NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
467047 |
2kxg   |
16913 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kxg
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 1352
_Distance_constraint_stats_list.Viol_count 2097
_Distance_constraint_stats_list.Viol_total 1114.485
_Distance_constraint_stats_list.Viol_max 0.223
_Distance_constraint_stats_list.Viol_rms 0.0256
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0531
_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 1 GLY 0.000 0.000 . 0 "[ . 1]"
1 2 PRO 0.000 0.000 . 0 "[ . 1]"
1 4 PRO 0.732 0.109 7 0 "[ . 1]"
1 5 ALA 0.390 0.109 7 0 "[ . 1]"
1 6 ILE 0.545 0.121 6 0 "[ . 1]"
1 7 GLY 0.973 0.093 5 0 "[ . 1]"
1 8 GLU 0.930 0.093 5 0 "[ . 1]"
1 9 VAL 1.082 0.148 1 0 "[ . 1]"
1 10 ILE 1.909 0.148 1 0 "[ . 1]"
1 11 GLY 0.735 0.119 1 0 "[ . 1]"
1 12 ILE 6.709 0.208 1 0 "[ . 1]"
1 13 SER 1.420 0.134 7 0 "[ . 1]"
1 14 VAL 4.922 0.191 9 0 "[ . 1]"
1 15 ASN 3.010 0.148 4 0 "[ . 1]"
1 16 ASP 4.066 0.148 4 0 "[ . 1]"
1 17 PRO 1.099 0.101 6 0 "[ . 1]"
1 18 ARG 4.397 0.176 6 0 "[ . 1]"
1 19 VAL 9.381 0.179 10 0 "[ . 1]"
1 20 LYS 2.801 0.101 6 0 "[ . 1]"
1 21 GLU 4.004 0.157 10 0 "[ . 1]"
1 22 ILE 6.204 0.222 2 0 "[ . 1]"
1 23 ALA 1.044 0.088 2 0 "[ . 1]"
1 24 GLU 6.714 0.199 10 0 "[ . 1]"
1 25 PHE 5.047 0.212 4 0 "[ . 1]"
1 26 ALA 1.944 0.174 10 0 "[ . 1]"
1 27 LEU 2.711 0.136 2 0 "[ . 1]"
1 28 LYS 0.567 0.069 3 0 "[ . 1]"
1 29 GLN 2.746 0.176 1 0 "[ . 1]"
1 30 HIS 4.056 0.171 10 0 "[ . 1]"
1 31 ALA 2.531 0.172 7 0 "[ . 1]"
1 32 GLU 3.252 0.143 9 0 "[ . 1]"
1 33 GLN 1.982 0.142 6 0 "[ . 1]"
1 34 ASN 1.222 0.142 6 0 "[ . 1]"
1 35 LEU 3.450 0.121 10 0 "[ . 1]"
1 36 ILE 4.253 0.135 9 0 "[ . 1]"
1 37 LEU 4.636 0.209 9 0 "[ . 1]"
1 38 ALA 0.909 0.088 4 0 "[ . 1]"
1 39 GLY 0.960 0.146 9 0 "[ . 1]"
1 40 VAL 3.921 0.199 10 0 "[ . 1]"
1 41 ASP 0.434 0.072 9 0 "[ . 1]"
1 42 ALA 0.744 0.065 1 0 "[ . 1]"
1 43 GLY 1.892 0.223 3 0 "[ . 1]"
1 44 GLN 3.013 0.223 3 0 "[ . 1]"
1 45 ILE 2.409 0.163 6 0 "[ . 1]"
1 46 ILE 0.327 0.069 3 0 "[ . 1]"
1 47 LYS 0.064 0.039 10 0 "[ . 1]"
1 48 GLY 0.134 0.110 7 0 "[ . 1]"
1 49 ILE 0.960 0.146 3 0 "[ . 1]"
1 50 PRO 3.739 0.206 10 0 "[ . 1]"
1 51 HIS 1.304 0.157 6 0 "[ . 1]"
1 52 TRP 4.049 0.206 10 0 "[ . 1]"
1 53 ASP 0.000 0.000 . 0 "[ . 1]"
1 54 ASN 4.492 0.183 8 0 "[ . 1]"
1 55 TYR 1.059 0.095 9 0 "[ . 1]"
1 56 TYR 3.890 0.159 6 0 "[ . 1]"
1 57 ASN 1.300 0.168 6 0 "[ . 1]"
1 58 LEU 2.466 0.208 1 0 "[ . 1]"
1 59 ILE 3.484 0.216 5 0 "[ . 1]"
1 60 LEU 2.878 0.104 6 0 "[ . 1]"
1 61 SER 1.319 0.131 9 0 "[ . 1]"
1 62 ALA 1.781 0.111 9 0 "[ . 1]"
1 63 LYS 2.592 0.131 8 0 "[ . 1]"
1 64 HIS 0.792 0.115 5 0 "[ . 1]"
1 65 SER 1.845 0.149 9 0 "[ . 1]"
1 66 PRO 0.664 0.149 9 0 "[ . 1]"
1 67 HIS 0.461 0.068 1 0 "[ . 1]"
1 68 GLU 2.067 0.113 10 0 "[ . 1]"
1 69 PHE 3.532 0.168 5 0 "[ . 1]"
1 70 SER 2.339 0.098 6 0 "[ . 1]"
1 71 LYS 2.269 0.168 5 0 "[ . 1]"
1 72 PHE 1.024 0.124 9 0 "[ . 1]"
1 73 TYR 5.892 0.209 9 0 "[ . 1]"
1 74 ASN 2.178 0.216 5 0 "[ . 1]"
1 75 VAL 1.379 0.163 10 0 "[ . 1]"
1 76 VAL 0.711 0.135 2 0 "[ . 1]"
1 77 VAL 1.856 0.206 6 0 "[ . 1]"
1 78 LEU 3.005 0.108 5 0 "[ . 1]"
1 79 GLU 4.951 0.222 2 0 "[ . 1]"
1 80 LYS 1.071 0.209 10 0 "[ . 1]"
1 81 ALA 0.199 0.057 3 0 "[ . 1]"
1 82 SER 0.287 0.050 2 0 "[ . 1]"
1 83 ASP 1.050 0.209 10 0 "[ . 1]"
1 84 ASN 0.000 0.000 . 0 "[ . 1]"
1 85 SER 1.693 0.143 8 0 "[ . 1]"
1 86 LEU 3.622 0.156 1 0 "[ . 1]"
1 87 LYS 3.186 0.212 4 0 "[ . 1]"
1 88 LEU 1.686 0.111 6 0 "[ . 1]"
1 89 VAL 0.878 0.083 4 0 "[ . 1]"
1 90 ALA 0.043 0.020 8 0 "[ . 1]"
1 91 PHE 3.463 0.171 10 0 "[ . 1]"
1 92 VAL 2.176 0.131 7 0 "[ . 1]"
1 93 PRO 0.264 0.059 4 0 "[ . 1]"
1 94 LEU 1.659 0.161 9 0 "[ . 1]"
1 95 PHE 0.581 0.062 10 0 "[ . 1]"
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 1 GLY QA 1 2 PRO QD 3.980 . 3.980 2.061 1.877 2.204 . 0 0 "[ . 1]" 1
2 1 4 PRO HB3 1 5 ALA H 3.610 . 3.610 3.272 2.853 3.611 0.001 1 0 "[ . 1]" 1
3 1 4 PRO HA 1 5 ALA H 2.860 . 2.860 2.461 2.270 2.620 . 0 0 "[ . 1]" 1
4 1 4 PRO QD 1 5 ALA MB 5.500 . 5.500 5.488 5.295 5.609 0.109 7 0 "[ . 1]" 1
5 1 4 PRO HB2 1 5 ALA H 3.980 . 3.980 2.573 2.205 3.127 . 0 0 "[ . 1]" 1
6 1 4 PRO HB3 1 7 GLY H 4.100 . 4.100 4.106 3.979 4.155 0.055 1 0 "[ . 1]" 1
7 1 4 PRO QG 1 7 GLY H 4.400 . 4.400 4.015 2.601 4.425 0.025 8 0 "[ . 1]" 1
8 1 4 PRO QG 1 8 GLU HA 4.890 . 4.890 4.460 3.490 4.922 0.032 5 0 "[ . 1]" 1
9 1 5 ALA H 1 5 ALA MB 3.440 . 3.440 2.412 2.206 2.600 . 0 0 "[ . 1]" 1
10 1 5 ALA MB 1 6 ILE HA 4.780 . 4.780 4.082 3.807 4.294 . 0 0 "[ . 1]" 1
11 1 5 ALA MB 1 6 ILE H 3.860 . 3.860 2.810 2.209 3.640 . 0 0 "[ . 1]" 1
12 1 6 ILE HG12 1 6 ILE MG 3.700 . 3.700 2.416 2.142 3.189 . 0 0 "[ . 1]" 1
13 1 6 ILE H 1 6 ILE HG12 3.950 . 3.950 3.491 2.457 4.053 0.103 8 0 "[ . 1]" 1
14 1 6 ILE H 1 6 ILE HB 3.530 . 3.530 3.099 2.557 3.651 0.121 6 0 "[ . 1]" 1
15 1 6 ILE H 1 6 ILE MD 4.410 . 4.410 3.829 2.197 4.516 0.106 2 0 "[ . 1]" 1
16 1 6 ILE HA 1 6 ILE MD 4.250 . 4.250 3.771 2.013 4.184 . 0 0 "[ . 1]" 1
17 1 6 ILE MG 1 7 GLY H 4.620 . 4.620 3.484 1.887 4.438 . 0 0 "[ . 1]" 1
18 1 7 GLY QA 1 8 GLU HG3 4.060 . 4.060 3.970 3.515 4.082 0.022 4 0 "[ . 1]" 1
19 1 7 GLY QA 1 8 GLU HA 3.880 . 3.880 3.943 3.925 3.973 0.093 5 0 "[ . 1]" 1
20 1 7 GLY QA 1 8 GLU H 3.490 . 3.490 2.213 2.098 2.668 . 0 0 "[ . 1]" 1
21 1 8 GLU H 1 8 GLU HG3 5.050 . 5.050 3.329 2.227 3.802 . 0 0 "[ . 1]" 1
22 1 8 GLU HA 1 9 VAL H 2.950 . 2.950 2.259 2.136 2.468 . 0 0 "[ . 1]" 1
23 1 8 GLU HG2 1 9 VAL H 4.850 . 4.850 4.503 3.855 4.900 0.050 7 0 "[ . 1]" 1
24 1 8 GLU HA 1 9 VAL MG2 3.850 . 3.850 3.415 3.139 3.751 . 0 0 "[ . 1]" 1
25 1 8 GLU HG3 1 9 VAL H 5.470 . 5.470 4.632 3.991 5.302 . 0 0 "[ . 1]" 1
26 1 8 GLU H 1 9 VAL MG2 4.800 . 4.800 4.272 3.531 4.834 0.034 10 0 "[ . 1]" 1
27 1 8 GLU H 1 9 VAL H 4.640 . 4.640 4.380 4.184 4.555 . 0 0 "[ . 1]" 1
28 1 9 VAL H 1 9 VAL MG1 3.990 . 3.990 3.868 3.794 3.938 . 0 0 "[ . 1]" 1
29 1 9 VAL H 1 9 VAL HB 3.390 . 3.390 2.789 2.546 3.313 . 0 0 "[ . 1]" 1
30 1 9 VAL H 1 9 VAL MG2 4.520 . 4.520 2.554 2.186 3.005 . 0 0 "[ . 1]" 1
31 1 9 VAL HA 1 9 VAL MG2 3.550 . 3.550 2.491 2.303 2.907 . 0 0 "[ . 1]" 1
32 1 9 VAL H 1 10 ILE MG 5.270 . 5.270 3.992 3.469 4.398 . 0 0 "[ . 1]" 1
33 1 9 VAL H 1 10 ILE H 4.830 . 4.830 4.397 4.193 4.543 . 0 0 "[ . 1]" 1
34 1 9 VAL MG2 1 10 ILE H 4.240 . 4.240 4.089 3.685 4.303 0.063 7 0 "[ . 1]" 1
35 1 9 VAL HA 1 10 ILE MD 5.290 . 5.290 4.458 2.757 5.316 0.026 6 0 "[ . 1]" 1
36 1 9 VAL HA 1 10 ILE QG 5.040 . 5.040 3.908 3.416 4.558 . 0 0 "[ . 1]" 1
37 1 9 VAL MG1 1 10 ILE H 4.460 . 4.460 2.512 2.175 3.073 . 0 0 "[ . 1]" 1
38 1 9 VAL HA 1 10 ILE H 3.160 . 3.160 2.197 2.131 2.240 . 0 0 "[ . 1]" 1
39 1 9 VAL MG2 1 10 ILE MG 4.830 . 4.830 4.905 4.836 4.978 0.148 1 0 "[ . 1]" 1
40 1 10 ILE H 1 10 ILE HB 3.760 . 3.760 3.812 3.733 3.877 0.117 2 0 "[ . 1]" 1
41 1 10 ILE H 1 10 ILE QG 4.550 . 4.550 2.304 1.950 2.644 . 0 0 "[ . 1]" 1
42 1 10 ILE H 1 10 ILE MD 4.640 . 4.640 3.287 1.912 3.997 . 0 0 "[ . 1]" 1
43 1 10 ILE HB 1 11 GLY H 3.910 . 3.910 2.560 2.318 2.999 . 0 0 "[ . 1]" 1
44 1 10 ILE QG 1 11 GLY HA3 4.900 . 4.900 4.705 4.344 4.953 0.053 4 0 "[ . 1]" 1
45 1 10 ILE HA 1 11 GLY H 2.770 . 2.770 2.333 2.201 2.452 . 0 0 "[ . 1]" 1
46 1 10 ILE MG 1 11 GLY H 3.690 . 3.690 3.631 3.454 3.719 0.029 10 0 "[ . 1]" 1
47 1 10 ILE HB 1 11 GLY HA2 4.510 . 4.510 4.274 3.914 4.629 0.119 1 0 "[ . 1]" 1
48 1 11 GLY HA3 1 12 ILE MG 5.000 . 5.000 4.201 3.922 4.351 . 0 0 "[ . 1]" 1
49 1 11 GLY HA3 1 12 ILE MD 4.360 . 4.360 4.000 3.581 4.286 . 0 0 "[ . 1]" 1
50 1 11 GLY HA3 1 12 ILE H 2.950 . 2.950 2.472 2.367 2.585 . 0 0 "[ . 1]" 1
51 1 11 GLY HA2 1 12 ILE H 3.180 . 3.180 2.757 2.590 2.898 . 0 0 "[ . 1]" 1
52 1 11 GLY H 1 12 ILE H 4.450 . 4.450 4.408 4.299 4.524 0.074 7 0 "[ . 1]" 1
53 1 11 GLY HA3 1 43 GLY H 3.040 . 3.040 2.775 2.398 3.063 0.023 6 0 "[ . 1]" 1
54 1 11 GLY HA3 1 44 GLN HA 4.370 . 4.370 4.300 4.032 4.443 0.073 5 0 "[ . 1]" 1
55 1 11 GLY HA2 1 44 GLN HA 4.300 . 4.300 3.271 3.027 3.647 . 0 0 "[ . 1]" 1
56 1 12 ILE HA 1 12 ILE MG 3.340 . 3.340 2.389 2.343 2.465 . 0 0 "[ . 1]" 1
57 1 12 ILE HA 1 12 ILE MD 4.760 . 4.760 3.784 3.569 3.928 . 0 0 "[ . 1]" 1
58 1 12 ILE HB 1 12 ILE MD 3.570 . 3.570 3.135 3.042 3.238 . 0 0 "[ . 1]" 1
59 1 12 ILE H 1 12 ILE QG 3.680 . 3.680 2.583 2.194 3.251 . 0 0 "[ . 1]" 1
60 1 12 ILE H 1 12 ILE MG 3.670 . 3.670 2.485 2.240 2.587 . 0 0 "[ . 1]" 1
61 1 12 ILE H 1 12 ILE MD 4.360 . 4.360 2.166 1.809 2.448 . 0 0 "[ . 1]" 1
62 1 12 ILE MD 1 12 ILE MG 3.220 . 3.220 1.771 1.735 1.793 0.065 9 0 "[ . 1]" 1
63 1 12 ILE MG 1 13 SER H 3.820 . 3.820 3.721 3.614 3.862 0.042 5 0 "[ . 1]" 1
64 1 12 ILE HB 1 13 SER H 3.020 . 3.020 2.424 2.271 2.738 . 0 0 "[ . 1]" 1
65 1 12 ILE QG 1 13 SER H 4.260 . 4.260 3.412 3.171 3.774 . 0 0 "[ . 1]" 1
66 1 12 ILE H 1 13 SER H 4.520 . 4.520 4.548 4.526 4.563 0.043 4 0 "[ . 1]" 1
67 1 12 ILE HA 1 13 SER H 2.820 . 2.820 2.362 2.237 2.448 . 0 0 "[ . 1]" 1
68 1 12 ILE QG 1 16 ASP H 5.000 . 5.000 4.876 4.445 5.122 0.122 4 0 "[ . 1]" 1
69 1 12 ILE MD 1 19 VAL MG1 3.790 . 3.790 2.287 1.923 2.623 . 0 0 "[ . 1]" 1
70 1 12 ILE H 1 19 VAL MG2 4.580 . 4.580 4.673 4.627 4.757 0.177 8 0 "[ . 1]" 1
71 1 12 ILE MD 1 19 VAL H 5.280 . 5.280 5.318 5.185 5.361 0.081 1 0 "[ . 1]" 1
72 1 12 ILE H 1 19 VAL MG1 4.410 . 4.410 4.509 4.470 4.589 0.179 10 0 "[ . 1]" 1
73 1 12 ILE MD 1 19 VAL HA 5.180 . 5.180 4.180 3.999 4.353 . 0 0 "[ . 1]" 1
74 1 12 ILE HB 1 19 VAL MG2 3.750 . 3.750 2.694 2.327 3.249 . 0 0 "[ . 1]" 1
75 1 12 ILE H 1 43 GLY HA3 4.130 . 4.130 3.677 3.289 4.065 . 0 0 "[ . 1]" 1
76 1 12 ILE MD 1 43 GLY H 3.900 . 3.900 3.173 2.693 3.607 . 0 0 "[ . 1]" 1
77 1 12 ILE MD 1 43 GLY HA3 4.580 . 4.580 2.038 1.758 2.414 0.042 1 0 "[ . 1]" 1
78 1 12 ILE MD 1 43 GLY HA2 4.470 . 4.470 3.373 3.106 3.725 . 0 0 "[ . 1]" 1
79 1 12 ILE H 1 43 GLY H 4.040 . 4.040 2.741 2.544 2.962 . 0 0 "[ . 1]" 1
80 1 12 ILE H 1 44 GLN HA 3.610 . 3.610 3.623 3.413 3.685 0.075 8 0 "[ . 1]" 1
81 1 12 ILE MD 1 44 GLN HA 4.660 . 4.660 2.684 2.416 2.975 . 0 0 "[ . 1]" 1
82 1 12 ILE MG 1 44 GLN HA 4.190 . 4.190 2.917 2.583 3.317 . 0 0 "[ . 1]" 1
83 1 12 ILE MD 1 44 GLN H 5.500 . 5.500 2.752 2.496 2.956 . 0 0 "[ . 1]" 1
84 1 12 ILE MD 1 44 GLN QG 4.070 . 4.070 3.987 3.819 4.106 0.036 10 0 "[ . 1]" 1
85 1 12 ILE MD 1 45 ILE MD 2.400 . 2.400 2.163 1.772 2.442 0.042 6 0 "[ . 1]" 1
86 1 12 ILE MG 1 45 ILE H 4.370 . 4.370 3.439 2.952 3.816 . 0 0 "[ . 1]" 1
87 1 12 ILE MD 1 45 ILE H 4.560 . 4.560 3.776 3.225 4.281 . 0 0 "[ . 1]" 1
88 1 12 ILE MD 1 56 TYR QD 5.500 . 5.500 3.541 3.144 4.072 . 0 0 "[ . 1]" 1
89 1 12 ILE QG 1 58 LEU MD2 3.200 . 3.200 2.793 2.460 3.271 0.071 1 0 "[ . 1]" 1
90 1 12 ILE H 1 58 LEU MD2 4.020 . 4.020 4.137 4.052 4.228 0.208 1 0 "[ . 1]" 1
91 1 12 ILE MD 1 58 LEU MD2 3.390 . 3.390 1.766 1.733 1.785 0.067 1 0 "[ . 1]" 1
92 1 12 ILE MD 1 58 LEU HA 4.730 . 4.730 4.353 4.150 4.640 . 0 0 "[ . 1]" 1
93 1 12 ILE MD 1 58 LEU HG 4.260 . 4.260 2.679 2.302 3.135 . 0 0 "[ . 1]" 1
94 1 12 ILE MD 1 59 ILE H 5.240 . 5.240 5.334 5.300 5.373 0.133 4 0 "[ . 1]" 1
95 1 13 SER H 1 13 SER QB 2.860 . 2.860 2.253 2.153 2.321 . 0 0 "[ . 1]" 1
96 1 13 SER QB 1 14 VAL H 3.670 . 3.670 2.899 2.623 3.378 . 0 0 "[ . 1]" 1
97 1 13 SER HA 1 14 VAL MG1 4.240 . 4.240 4.050 3.971 4.095 . 0 0 "[ . 1]" 1
98 1 13 SER HA 1 14 VAL H 2.600 . 2.600 2.311 2.265 2.360 . 0 0 "[ . 1]" 1
99 1 13 SER HA 1 14 VAL HA 5.150 . 5.150 4.335 4.328 4.344 . 0 0 "[ . 1]" 1
100 1 13 SER QB 1 15 ASN H 3.840 . 3.840 2.332 2.080 2.819 . 0 0 "[ . 1]" 1
101 1 13 SER QB 1 15 ASN HB3 3.270 . 3.270 2.874 2.591 3.103 . 0 0 "[ . 1]" 1
102 1 13 SER HA 1 15 ASN H 3.900 . 3.900 3.860 3.803 3.905 0.005 6 0 "[ . 1]" 1
103 1 13 SER QB 1 16 ASP H 3.440 . 3.440 3.118 2.915 3.210 . 0 0 "[ . 1]" 1
104 1 13 SER QB 1 16 ASP HB2 4.020 . 4.020 3.927 3.745 4.040 0.020 5 0 "[ . 1]" 1
105 1 13 SER QB 1 16 ASP HB3 4.610 . 4.610 4.713 4.687 4.744 0.134 7 0 "[ . 1]" 1
106 1 13 SER H 1 16 ASP HB2 4.610 . 4.610 3.889 3.595 4.276 . 0 0 "[ . 1]" 1
107 1 14 VAL H 1 14 VAL HB 3.730 . 3.730 2.593 2.538 2.618 . 0 0 "[ . 1]" 1
108 1 14 VAL HA 1 14 VAL MG1 3.120 . 3.120 3.201 3.193 3.207 0.087 5 0 "[ . 1]" 1
109 1 14 VAL HA 1 14 VAL MG2 3.610 . 3.610 2.256 2.195 2.386 . 0 0 "[ . 1]" 1
110 1 14 VAL H 1 14 VAL MG1 3.110 . 3.110 2.101 2.016 2.178 . 0 0 "[ . 1]" 1
111 1 14 VAL MG2 1 15 ASN HA 4.360 . 4.360 4.066 4.031 4.090 . 0 0 "[ . 1]" 1
112 1 14 VAL H 1 15 ASN HB2 5.500 . 5.500 4.455 4.340 4.601 . 0 0 "[ . 1]" 1
113 1 14 VAL MG2 1 15 ASN HB2 5.330 . 5.330 5.349 5.332 5.372 0.042 3 0 "[ . 1]" 1
114 1 14 VAL HB 1 15 ASN H 4.450 . 4.450 4.115 4.008 4.163 . 0 0 "[ . 1]" 1
115 1 14 VAL HA 1 15 ASN HA 5.190 . 5.190 4.908 4.867 4.952 . 0 0 "[ . 1]" 1
116 1 14 VAL H 1 15 ASN H 3.270 . 3.270 2.516 2.477 2.552 . 0 0 "[ . 1]" 1
117 1 14 VAL H 1 15 ASN HA 4.930 . 4.930 5.055 5.037 5.069 0.139 5 0 "[ . 1]" 1
118 1 14 VAL MG1 1 15 ASN HA 4.240 . 4.240 3.258 3.073 3.425 . 0 0 "[ . 1]" 1
119 1 14 VAL MG1 1 15 ASN H 4.360 . 4.360 2.345 2.127 2.552 . 0 0 "[ . 1]" 1
120 1 14 VAL HA 1 15 ASN H 3.510 . 3.510 3.438 3.423 3.465 . 0 0 "[ . 1]" 1
121 1 14 VAL HA 1 16 ASP H 4.210 . 4.210 3.836 3.720 3.953 . 0 0 "[ . 1]" 1
122 1 14 VAL MG2 1 16 ASP H 5.370 . 5.370 4.763 4.647 4.868 . 0 0 "[ . 1]" 1
123 1 14 VAL HA 1 19 VAL MG2 4.740 . 4.740 4.821 4.742 4.875 0.135 7 0 "[ . 1]" 1
124 1 14 VAL HA 1 19 VAL MG1 3.570 . 3.570 2.952 2.683 3.089 . 0 0 "[ . 1]" 1
125 1 14 VAL MG2 1 20 LYS HG2 4.320 . 4.320 3.943 3.613 4.247 . 0 0 "[ . 1]" 1
126 1 14 VAL MG2 1 20 LYS HA 3.470 . 3.470 3.456 3.400 3.491 0.021 9 0 "[ . 1]" 1
127 1 14 VAL MG2 1 20 LYS H 4.310 . 4.310 4.380 4.336 4.401 0.091 2 0 "[ . 1]" 1
128 1 14 VAL MG2 1 20 LYS QE 4.100 . 4.100 3.979 3.796 4.126 0.026 5 0 "[ . 1]" 1
129 1 14 VAL HA 1 40 VAL MG1 3.020 . 3.020 3.129 3.089 3.211 0.191 9 0 "[ . 1]" 1
130 1 15 ASN HA 1 15 ASN HB3 2.940 . 2.940 2.990 2.969 3.012 0.072 1 0 "[ . 1]" 1
131 1 15 ASN H 1 15 ASN HB3 3.200 . 3.200 2.810 2.586 2.942 . 0 0 "[ . 1]" 1
132 1 15 ASN H 1 15 ASN HB2 3.190 . 3.190 2.223 2.128 2.389 . 0 0 "[ . 1]" 1
133 1 15 ASN H 1 16 ASP HB3 5.250 . 5.250 5.060 5.002 5.138 . 0 0 "[ . 1]" 1
134 1 15 ASN HA 1 16 ASP H 3.610 . 3.610 3.516 3.493 3.530 . 0 0 "[ . 1]" 1
135 1 15 ASN H 1 16 ASP H 2.890 . 2.890 2.740 2.697 2.866 . 0 0 "[ . 1]" 1
136 1 15 ASN HB2 1 16 ASP H 4.710 . 4.710 3.704 3.577 3.896 . 0 0 "[ . 1]" 1
137 1 15 ASN HB3 1 16 ASP H 2.600 . 2.600 2.707 2.667 2.748 0.148 4 0 "[ . 1]" 1
138 1 15 ASN HB3 1 17 PRO QD 5.040 . 5.040 4.748 4.542 4.900 . 0 0 "[ . 1]" 1
139 1 16 ASP H 1 16 ASP HB2 2.900 . 2.900 2.408 2.336 2.467 . 0 0 "[ . 1]" 1
140 1 16 ASP H 1 16 ASP HB3 2.890 . 2.890 2.614 2.578 2.670 . 0 0 "[ . 1]" 1
141 1 16 ASP HA 1 17 PRO QG 3.690 . 3.690 3.726 3.705 3.742 0.052 4 0 "[ . 1]" 1
142 1 16 ASP HA 1 17 PRO QD 2.940 . 2.940 1.815 1.793 1.832 0.007 5 0 "[ . 1]" 1
143 1 16 ASP HA 1 17 PRO HA 4.620 . 4.620 4.488 4.480 4.501 . 0 0 "[ . 1]" 1
144 1 16 ASP H 1 17 PRO QD 4.740 . 4.740 4.143 4.101 4.165 . 0 0 "[ . 1]" 1
145 1 16 ASP HA 1 17 PRO HD3 3.820 . 3.820 2.550 2.495 2.580 . 0 0 "[ . 1]" 1
146 1 16 ASP HB2 1 18 ARG H 5.290 . 5.290 4.879 4.795 4.946 . 0 0 "[ . 1]" 1
147 1 16 ASP HA 1 18 ARG H 4.590 . 4.590 3.834 3.766 3.909 . 0 0 "[ . 1]" 1
148 1 16 ASP HB3 1 19 VAL HB 4.070 . 4.070 1.979 1.906 2.080 . 0 0 "[ . 1]" 1
149 1 16 ASP HB2 1 19 VAL MG2 4.470 . 4.470 3.155 3.016 3.233 . 0 0 "[ . 1]" 1
150 1 16 ASP HB3 1 19 VAL MG1 5.500 . 5.500 3.428 3.382 3.525 . 0 0 "[ . 1]" 1
151 1 16 ASP HB3 1 19 VAL MG2 3.880 . 3.880 2.278 2.097 2.388 . 0 0 "[ . 1]" 1
152 1 16 ASP H 1 19 VAL HB 3.970 . 3.970 3.994 3.932 4.049 0.079 10 0 "[ . 1]" 1
153 1 16 ASP H 1 19 VAL MG2 4.560 . 4.560 4.383 4.265 4.461 . 0 0 "[ . 1]" 1
154 1 16 ASP HA 1 19 VAL HB 4.600 . 4.600 4.688 4.657 4.727 0.127 8 0 "[ . 1]" 1
155 1 17 PRO HB2 1 18 ARG HA 4.030 . 4.030 4.049 4.019 4.071 0.041 1 0 "[ . 1]" 1
156 1 17 PRO QD 1 18 ARG H 4.510 . 4.510 3.046 2.969 3.135 . 0 0 "[ . 1]" 1
157 1 17 PRO QG 1 18 ARG H 3.930 . 3.930 2.637 2.580 2.711 . 0 0 "[ . 1]" 1
158 1 17 PRO HD3 1 18 ARG H 4.810 . 4.810 4.143 4.097 4.201 . 0 0 "[ . 1]" 1
159 1 17 PRO HB3 1 18 ARG H 4.310 . 4.310 4.258 4.231 4.281 . 0 0 "[ . 1]" 1
160 1 17 PRO HB2 1 18 ARG H 3.710 . 3.710 3.332 3.239 3.379 . 0 0 "[ . 1]" 1
161 1 17 PRO QG 1 19 VAL H 5.400 . 5.400 4.888 4.824 4.949 . 0 0 "[ . 1]" 1
162 1 17 PRO HA 1 20 LYS QB 4.010 . 4.010 3.937 3.834 4.035 0.025 8 0 "[ . 1]" 1
163 1 17 PRO HA 1 20 LYS QD 4.930 . 4.930 2.401 2.127 2.564 . 0 0 "[ . 1]" 1
164 1 17 PRO HA 1 20 LYS HG3 4.500 . 4.500 2.354 2.297 2.474 . 0 0 "[ . 1]" 1
165 1 17 PRO HA 1 20 LYS H 3.700 . 3.700 3.750 3.728 3.801 0.101 6 0 "[ . 1]" 1
166 1 17 PRO HA 1 20 LYS HG2 4.930 . 4.930 2.177 2.036 2.522 . 0 0 "[ . 1]" 1
167 1 18 ARG H 1 18 ARG HG2 4.010 . 4.010 3.428 1.962 3.987 . 0 0 "[ . 1]" 1
168 1 18 ARG HA 1 18 ARG HD3 3.630 . 3.630 3.184 1.906 3.726 0.096 8 0 "[ . 1]" 1
169 1 18 ARG H 1 18 ARG HD2 4.730 . 4.730 3.277 2.457 4.747 0.017 4 0 "[ . 1]" 1
170 1 18 ARG HA 1 18 ARG HG2 4.140 . 4.140 3.486 3.122 3.623 . 0 0 "[ . 1]" 1
171 1 18 ARG H 1 18 ARG QB 2.740 . 2.740 2.441 2.324 2.692 . 0 0 "[ . 1]" 1
172 1 18 ARG H 1 18 ARG HG3 4.120 . 4.120 3.437 3.169 3.857 . 0 0 "[ . 1]" 1
173 1 18 ARG HA 1 18 ARG HD2 3.880 . 3.880 3.664 3.152 3.914 0.034 1 0 "[ . 1]" 1
174 1 18 ARG HA 1 18 ARG HG3 3.920 . 3.920 2.808 2.331 3.875 . 0 0 "[ . 1]" 1
175 1 18 ARG H 1 19 VAL HA 5.070 . 5.070 5.095 5.080 5.119 0.049 6 0 "[ . 1]" 1
176 1 18 ARG HG2 1 19 VAL H 5.500 . 5.500 4.694 3.694 5.083 . 0 0 "[ . 1]" 1
177 1 18 ARG QB 1 19 VAL HA 4.630 . 4.630 3.834 3.739 3.907 . 0 0 "[ . 1]" 1
178 1 18 ARG H 1 19 VAL HB 4.370 . 4.370 4.446 4.423 4.464 0.094 3 0 "[ . 1]" 1
179 1 18 ARG H 1 19 VAL H 2.970 . 2.970 2.449 2.419 2.493 . 0 0 "[ . 1]" 1
180 1 18 ARG H 1 19 VAL MG2 4.310 . 4.310 4.095 4.019 4.158 . 0 0 "[ . 1]" 1
181 1 18 ARG HG3 1 19 VAL H 4.750 . 4.750 4.776 4.619 4.871 0.121 7 0 "[ . 1]" 1
182 1 18 ARG QB 1 19 VAL H 3.220 . 3.220 2.468 2.367 2.612 . 0 0 "[ . 1]" 1
183 1 18 ARG H 1 20 LYS H 4.060 . 4.060 3.971 3.906 4.039 . 0 0 "[ . 1]" 1
184 1 18 ARG H 1 20 LYS HG2 4.840 . 4.840 4.844 4.656 4.881 0.041 10 0 "[ . 1]" 1
185 1 18 ARG HA 1 21 GLU HG3 4.570 . 4.570 3.197 3.092 3.391 . 0 0 "[ . 1]" 1
186 1 18 ARG HA 1 21 GLU HG2 3.540 . 3.540 1.913 1.818 2.105 . 0 0 "[ . 1]" 1
187 1 18 ARG H 1 21 GLU H 4.840 . 4.840 4.672 4.611 4.769 . 0 0 "[ . 1]" 1
188 1 18 ARG HD3 1 22 ILE MD 5.370 . 5.370 4.497 2.944 5.199 . 0 0 "[ . 1]" 1
189 1 18 ARG HG2 1 22 ILE MD 4.210 . 4.210 4.001 3.702 4.343 0.133 4 0 "[ . 1]" 1
190 1 18 ARG QB 1 22 ILE MD 5.500 . 5.500 1.959 1.739 2.235 0.061 4 0 "[ . 1]" 1
191 1 18 ARG QB 1 52 TRP HZ2 4.530 . 4.530 4.360 4.026 4.560 0.030 1 0 "[ . 1]" 1
192 1 18 ARG HA 1 52 TRP HH2 5.420 . 5.420 5.271 4.974 5.453 0.033 4 0 "[ . 1]" 1
193 1 18 ARG HD3 1 52 TRP HH2 4.340 . 4.340 3.977 3.540 4.308 . 0 0 "[ . 1]" 1
194 1 18 ARG HD2 1 52 TRP HH2 4.060 . 4.060 3.423 1.952 4.029 . 0 0 "[ . 1]" 1
195 1 18 ARG HG2 1 52 TRP HH2 4.330 . 4.330 2.218 1.719 3.561 0.081 1 0 "[ . 1]" 1
196 1 18 ARG HG3 1 52 TRP HH2 4.150 . 4.150 2.808 1.869 3.449 . 0 0 "[ . 1]" 1
197 1 18 ARG H 1 52 TRP HH2 5.360 . 5.360 5.454 5.361 5.536 0.176 6 0 "[ . 1]" 1
198 1 18 ARG HD3 1 56 TYR QE 5.240 . 5.240 5.261 5.192 5.308 0.068 5 0 "[ . 1]" 1
199 1 19 VAL H 1 19 VAL MG1 4.620 . 4.620 3.725 3.706 3.745 . 0 0 "[ . 1]" 1
200 1 19 VAL HA 1 19 VAL MG2 3.380 . 3.380 2.346 2.280 2.375 . 0 0 "[ . 1]" 1
201 1 19 VAL H 1 19 VAL MG2 3.030 . 3.030 2.259 2.204 2.370 . 0 0 "[ . 1]" 1
202 1 19 VAL H 1 19 VAL HB 2.970 . 2.970 2.383 2.349 2.408 . 0 0 "[ . 1]" 1
203 1 19 VAL HA 1 19 VAL MG1 3.450 . 3.450 2.448 2.402 2.495 . 0 0 "[ . 1]" 1
204 1 19 VAL H 1 20 LYS QD 5.380 . 5.380 5.454 5.427 5.473 0.093 8 0 "[ . 1]" 1
205 1 19 VAL H 1 20 LYS H 2.720 . 2.720 2.717 2.623 2.784 0.064 6 0 "[ . 1]" 1
206 1 19 VAL HB 1 20 LYS H 3.360 . 3.360 2.648 2.520 2.697 . 0 0 "[ . 1]" 1
207 1 19 VAL MG1 1 20 LYS H 3.970 . 3.970 3.302 3.213 3.414 . 0 0 "[ . 1]" 1
208 1 19 VAL MG2 1 20 LYS H 4.380 . 4.380 3.950 3.891 3.980 . 0 0 "[ . 1]" 1
209 1 19 VAL H 1 20 LYS HG3 4.780 . 4.780 3.911 3.853 3.953 . 0 0 "[ . 1]" 1
210 1 19 VAL MG2 1 21 GLU H 5.450 . 5.450 5.482 5.451 5.535 0.085 6 0 "[ . 1]" 1
211 1 19 VAL HA 1 21 GLU H 4.680 . 4.680 4.518 4.468 4.562 . 0 0 "[ . 1]" 1
212 1 19 VAL MG2 1 22 ILE MD 5.500 . 5.500 3.830 3.306 4.116 . 0 0 "[ . 1]" 1
213 1 19 VAL HA 1 22 ILE MG 4.810 . 4.810 4.150 3.999 4.289 . 0 0 "[ . 1]" 1
214 1 19 VAL HA 1 22 ILE MD 3.960 . 3.960 3.144 2.361 3.495 . 0 0 "[ . 1]" 1
215 1 19 VAL H 1 22 ILE HB 4.900 . 4.900 4.962 4.923 4.996 0.096 8 0 "[ . 1]" 1
216 1 19 VAL H 1 22 ILE MD 5.500 . 5.500 3.941 3.420 4.255 . 0 0 "[ . 1]" 1
217 1 19 VAL HA 1 22 ILE H 3.780 . 3.780 3.749 3.651 3.792 0.012 5 0 "[ . 1]" 1
218 1 19 VAL HA 1 22 ILE HB 3.790 . 3.790 2.909 2.767 3.034 . 0 0 "[ . 1]" 1
219 1 19 VAL MG1 1 22 ILE H 4.910 . 4.910 4.947 4.876 5.015 0.105 5 0 "[ . 1]" 1
220 1 19 VAL MG2 1 22 ILE H 5.430 . 5.430 5.332 5.266 5.387 . 0 0 "[ . 1]" 1
221 1 19 VAL MG1 1 23 ALA H 4.440 . 4.440 4.093 3.993 4.185 . 0 0 "[ . 1]" 1
222 1 19 VAL HA 1 23 ALA MB 5.500 . 5.500 4.187 4.074 4.395 . 0 0 "[ . 1]" 1
223 1 19 VAL HA 1 23 ALA H 3.920 . 3.920 3.910 3.840 3.961 0.041 8 0 "[ . 1]" 1
224 1 19 VAL HA 1 40 VAL QG 5.300 . 5.300 5.170 5.032 5.246 . 0 0 "[ . 1]" 1
225 1 19 VAL MG1 1 43 GLY H 4.930 . 4.930 4.839 4.573 4.959 0.029 3 0 "[ . 1]" 1
226 1 19 VAL MG2 1 45 ILE QG 2.990 . 2.990 2.959 2.811 3.089 0.099 8 0 "[ . 1]" 1
227 1 19 VAL MG2 1 45 ILE HA 5.430 . 5.430 5.409 5.283 5.488 0.058 7 0 "[ . 1]" 1
228 1 19 VAL MG1 1 56 TYR QD 4.100 . 4.100 3.588 3.334 3.783 . 0 0 "[ . 1]" 1
229 1 19 VAL HA 1 56 TYR QD 5.080 . 5.080 2.837 2.618 3.101 . 0 0 "[ . 1]" 1
230 1 19 VAL HA 1 56 TYR QE 4.690 . 4.690 2.587 1.833 3.282 . 0 0 "[ . 1]" 1
231 1 19 VAL MG1 1 56 TYR QE 4.920 . 4.920 3.990 3.260 4.588 . 0 0 "[ . 1]" 1
232 1 19 VAL HB 1 56 TYR QD 5.150 . 5.150 5.217 5.152 5.309 0.159 6 0 "[ . 1]" 1
233 1 19 VAL MG2 1 56 TYR QD 4.710 . 4.710 2.868 2.569 3.072 . 0 0 "[ . 1]" 1
234 1 19 VAL MG2 1 56 TYR QE 3.920 . 3.920 2.000 1.711 2.532 0.089 8 0 "[ . 1]" 1
235 1 20 LYS H 1 20 LYS HG3 3.560 . 3.560 1.916 1.865 1.990 . 0 0 "[ . 1]" 1
236 1 20 LYS HA 1 20 LYS HG3 3.600 . 3.600 3.560 3.545 3.576 . 0 0 "[ . 1]" 1
237 1 20 LYS QB 1 20 LYS QE 3.910 . 3.910 2.323 1.984 3.030 . 0 0 "[ . 1]" 1
238 1 20 LYS H 1 20 LYS QB 2.820 . 2.820 2.654 2.577 2.815 . 0 0 "[ . 1]" 1
239 1 20 LYS QE 1 20 LYS HG3 3.690 . 3.690 3.243 3.016 3.312 . 0 0 "[ . 1]" 1
240 1 20 LYS H 1 20 LYS HG2 4.710 . 4.710 2.905 2.449 3.053 . 0 0 "[ . 1]" 1
241 1 20 LYS HA 1 20 LYS QD 4.600 . 4.600 3.982 3.895 4.216 . 0 0 "[ . 1]" 1
242 1 20 LYS QB 1 21 GLU H 3.570 . 3.570 3.427 3.360 3.463 . 0 0 "[ . 1]" 1
243 1 20 LYS H 1 21 GLU H 2.850 . 2.850 2.633 2.574 2.758 . 0 0 "[ . 1]" 1
244 1 20 LYS HG3 1 21 GLU H 4.700 . 4.700 2.127 2.071 2.207 . 0 0 "[ . 1]" 1
245 1 20 LYS HG3 1 21 GLU HA 4.380 . 4.380 4.410 4.384 4.435 0.055 6 0 "[ . 1]" 1
246 1 20 LYS HG3 1 22 ILE H 5.250 . 5.250 4.437 4.384 4.522 . 0 0 "[ . 1]" 1
247 1 20 LYS HA 1 23 ALA H 3.910 . 3.910 3.596 3.534 3.707 . 0 0 "[ . 1]" 1
248 1 20 LYS HA 1 40 VAL QG 3.410 . 3.410 2.945 2.767 3.079 . 0 0 "[ . 1]" 1
249 1 20 LYS H 1 40 VAL QG 4.870 . 4.870 4.811 4.631 4.896 0.026 9 0 "[ . 1]" 1
250 1 21 GLU H 1 21 GLU HB2 3.580 . 3.580 3.608 3.603 3.612 0.032 3 0 "[ . 1]" 1
251 1 21 GLU HA 1 21 GLU HG2 3.760 . 3.760 3.786 3.760 3.876 0.116 9 0 "[ . 1]" 1
252 1 21 GLU HB3 1 21 GLU HG2 3.010 . 3.010 2.429 2.339 2.465 . 0 0 "[ . 1]" 1
253 1 21 GLU H 1 21 GLU HG3 3.450 . 3.450 3.375 3.248 3.469 0.019 5 0 "[ . 1]" 1
254 1 21 GLU HA 1 21 GLU HB2 2.780 . 2.780 2.392 2.343 2.439 . 0 0 "[ . 1]" 1
255 1 21 GLU H 1 21 GLU HG2 3.720 . 3.720 2.221 2.084 2.450 . 0 0 "[ . 1]" 1
256 1 21 GLU H 1 21 GLU HB3 2.890 . 2.890 2.549 2.487 2.609 . 0 0 "[ . 1]" 1
257 1 21 GLU H 1 22 ILE H 3.140 . 3.140 2.447 2.416 2.511 . 0 0 "[ . 1]" 1
258 1 21 GLU HB2 1 22 ILE HG13 4.310 . 4.310 4.320 4.286 4.346 0.036 9 0 "[ . 1]" 1
259 1 21 GLU H 1 22 ILE HA 4.970 . 4.970 5.093 5.076 5.127 0.157 10 0 "[ . 1]" 1
260 1 21 GLU H 1 22 ILE HB 4.820 . 4.820 4.631 4.572 4.697 . 0 0 "[ . 1]" 1
261 1 21 GLU HG2 1 22 ILE H 4.830 . 4.830 2.443 2.324 2.629 . 0 0 "[ . 1]" 1
262 1 21 GLU HB2 1 22 ILE MD 5.500 . 5.500 5.493 5.391 5.549 0.049 8 0 "[ . 1]" 1
263 1 21 GLU H 1 22 ILE HG13 4.590 . 4.590 4.182 4.119 4.308 . 0 0 "[ . 1]" 1
264 1 21 GLU HG3 1 22 ILE H 5.050 . 5.050 2.396 2.212 2.526 . 0 0 "[ . 1]" 1
265 1 21 GLU HB2 1 22 ILE H 3.790 . 3.790 3.833 3.711 3.912 0.122 9 0 "[ . 1]" 1
266 1 21 GLU HB3 1 22 ILE H 3.770 . 3.770 3.845 3.805 3.887 0.117 6 0 "[ . 1]" 1
267 1 21 GLU HG3 1 22 ILE HG13 3.790 . 3.790 1.936 1.823 1.996 . 0 0 "[ . 1]" 1
268 1 21 GLU H 1 23 ALA H 4.560 . 4.560 3.876 3.803 4.011 . 0 0 "[ . 1]" 1
269 1 22 ILE H 1 22 ILE HG13 3.660 . 3.660 2.270 2.178 2.329 . 0 0 "[ . 1]" 1
270 1 22 ILE H 1 22 ILE MG 4.040 . 4.040 3.762 3.752 3.777 . 0 0 "[ . 1]" 1
271 1 22 ILE HA 1 22 ILE MG 3.680 . 3.680 2.389 2.347 2.421 . 0 0 "[ . 1]" 1
272 1 22 ILE HA 1 22 ILE HG12 3.990 . 3.990 2.667 2.543 2.806 . 0 0 "[ . 1]" 1
273 1 22 ILE HB 1 22 ILE MD 3.740 . 3.740 2.256 2.121 2.404 . 0 0 "[ . 1]" 1
274 1 22 ILE H 1 22 ILE HB 3.060 . 3.060 2.454 2.410 2.508 . 0 0 "[ . 1]" 1
275 1 22 ILE MD 1 22 ILE MG 3.510 . 3.510 2.229 1.969 2.414 . 0 0 "[ . 1]" 1
276 1 22 ILE HA 1 22 ILE MD 3.980 . 3.980 3.846 3.818 3.863 . 0 0 "[ . 1]" 1
277 1 22 ILE H 1 22 ILE MD 4.170 . 4.170 3.334 3.100 3.473 . 0 0 "[ . 1]" 1
278 1 22 ILE H 1 22 ILE HG12 3.670 . 3.670 3.689 3.658 3.726 0.056 9 0 "[ . 1]" 1
279 1 22 ILE H 1 23 ALA H 3.470 . 3.470 2.531 2.474 2.642 . 0 0 "[ . 1]" 1
280 1 22 ILE H 1 23 ALA HA 5.320 . 5.320 5.181 5.136 5.272 . 0 0 "[ . 1]" 1
281 1 22 ILE HB 1 23 ALA H 3.320 . 3.320 2.898 2.728 2.983 . 0 0 "[ . 1]" 1
282 1 22 ILE MD 1 23 ALA H 5.300 . 5.300 4.616 4.310 4.803 . 0 0 "[ . 1]" 1
283 1 22 ILE MG 1 23 ALA H 4.030 . 4.030 3.666 3.595 3.728 . 0 0 "[ . 1]" 1
284 1 22 ILE HA 1 24 GLU H 4.980 . 4.980 4.664 4.479 4.807 . 0 0 "[ . 1]" 1
285 1 22 ILE MG 1 25 PHE H 5.500 . 5.500 4.779 4.651 4.885 . 0 0 "[ . 1]" 1
286 1 22 ILE HA 1 25 PHE HB2 4.410 . 4.410 3.365 3.118 3.633 . 0 0 "[ . 1]" 1
287 1 22 ILE MG 1 25 PHE HB3 4.850 . 4.850 3.604 3.494 3.719 . 0 0 "[ . 1]" 1
288 1 22 ILE HA 1 25 PHE QD 5.360 . 5.360 4.636 4.433 4.949 . 0 0 "[ . 1]" 1
289 1 22 ILE HA 1 25 PHE H 3.790 . 3.790 3.548 3.492 3.623 . 0 0 "[ . 1]" 1
290 1 22 ILE HA 1 26 ALA H 4.930 . 4.930 4.315 4.229 4.452 . 0 0 "[ . 1]" 1
291 1 22 ILE MD 1 56 TYR HB3 5.080 . 5.080 4.002 3.769 4.228 . 0 0 "[ . 1]" 1
292 1 22 ILE MD 1 56 TYR HB2 5.340 . 5.340 3.629 3.404 3.998 . 0 0 "[ . 1]" 1
293 1 22 ILE MG 1 56 TYR HB3 4.580 . 4.580 2.818 2.602 3.254 . 0 0 "[ . 1]" 1
294 1 22 ILE MG 1 56 TYR QD 4.160 . 4.160 3.057 2.946 3.196 . 0 0 "[ . 1]" 1
295 1 22 ILE MD 1 56 TYR H 5.500 . 5.500 4.977 4.664 5.326 . 0 0 "[ . 1]" 1
296 1 22 ILE MG 1 56 TYR H 5.070 . 5.070 4.184 3.940 4.475 . 0 0 "[ . 1]" 1
297 1 22 ILE MG 1 56 TYR HB2 4.410 . 4.410 2.416 2.186 2.706 . 0 0 "[ . 1]" 1
298 1 22 ILE MD 1 56 TYR QE 3.540 . 3.540 2.464 2.386 2.535 . 0 0 "[ . 1]" 1
299 1 22 ILE MD 1 56 TYR QD 4.470 . 4.470 2.804 2.658 2.967 . 0 0 "[ . 1]" 1
300 1 22 ILE MD 1 79 GLU HB2 5.260 . 5.260 2.341 1.800 3.600 . 7 0 "[ . 1]" 1
301 1 22 ILE MD 1 79 GLU QG 5.500 . 5.500 3.791 3.106 4.789 . 0 0 "[ . 1]" 1
302 1 22 ILE MD 1 79 GLU HB3 5.430 . 5.430 3.219 2.927 3.923 . 0 0 "[ . 1]" 1
303 1 22 ILE MG 1 79 GLU HB3 4.100 . 4.100 4.256 4.208 4.322 0.222 2 0 "[ . 1]" 1
304 1 22 ILE HA 1 86 LEU HG 3.890 . 3.890 1.936 1.760 2.216 0.040 4 0 "[ . 1]" 1
305 1 22 ILE H 1 86 LEU MD1 5.020 . 5.020 3.984 3.608 4.471 . 0 0 "[ . 1]" 1
306 1 22 ILE MD 1 86 LEU HB3 5.110 . 5.110 4.583 4.204 5.120 0.010 6 0 "[ . 1]" 1
307 1 22 ILE HG13 1 86 LEU HG 4.450 . 4.450 3.221 2.719 3.674 . 0 0 "[ . 1]" 1
308 1 22 ILE MD 1 86 LEU MD1 3.750 . 3.750 2.994 2.743 3.453 . 0 0 "[ . 1]" 1
309 1 22 ILE HA 1 86 LEU MD1 5.400 . 5.400 3.073 2.894 3.300 . 0 0 "[ . 1]" 1
310 1 22 ILE HG13 1 86 LEU MD1 3.020 . 3.020 2.395 1.930 2.984 . 0 0 "[ . 1]" 1
311 1 23 ALA H 1 23 ALA MB 3.070 . 3.070 2.195 2.058 2.236 . 0 0 "[ . 1]" 1
312 1 23 ALA MB 1 24 GLU H 3.400 . 3.400 2.391 2.256 2.537 . 0 0 "[ . 1]" 1
313 1 23 ALA H 1 26 ALA MB 4.700 . 4.700 4.624 4.526 4.709 0.009 7 0 "[ . 1]" 1
314 1 23 ALA HA 1 26 ALA MB 3.680 . 3.680 2.492 2.324 2.616 . 0 0 "[ . 1]" 1
315 1 23 ALA MB 1 40 VAL H 5.500 . 5.500 4.958 4.490 5.127 . 0 0 "[ . 1]" 1
316 1 23 ALA H 1 40 VAL QG 4.190 . 4.190 4.180 4.014 4.245 0.055 9 0 "[ . 1]" 1
317 1 23 ALA MB 1 40 VAL MG2 2.940 . 2.940 1.884 1.771 1.967 0.029 10 0 "[ . 1]" 1
318 1 23 ALA MB 1 60 LEU MD2 3.150 . 3.150 1.927 1.819 2.115 . 0 0 "[ . 1]" 1
319 1 23 ALA HA 1 60 LEU MD1 4.260 . 4.260 4.212 4.090 4.309 0.049 8 0 "[ . 1]" 1
320 1 23 ALA HA 1 60 LEU HG 5.500 . 5.500 5.559 5.516 5.588 0.088 2 0 "[ . 1]" 1
321 1 23 ALA HA 1 60 LEU MD2 3.920 . 3.920 3.449 3.334 3.577 . 0 0 "[ . 1]" 1
322 1 24 GLU H 1 24 GLU HB2 3.370 . 3.370 3.498 3.385 3.552 0.182 9 0 "[ . 1]" 1
323 1 24 GLU H 1 24 GLU HG2 3.670 . 3.670 2.662 2.253 3.270 . 0 0 "[ . 1]" 1
324 1 24 GLU HA 1 24 GLU HG2 3.710 . 3.710 3.765 3.713 3.811 0.101 8 0 "[ . 1]" 1
325 1 24 GLU H 1 24 GLU HB3 3.230 . 3.230 2.291 2.098 2.434 . 0 0 "[ . 1]" 1
326 1 24 GLU HB2 1 25 PHE H 3.710 . 3.710 3.817 3.756 3.904 0.194 5 0 "[ . 1]" 1
327 1 24 GLU H 1 25 PHE HB3 5.260 . 5.260 5.080 5.000 5.200 . 0 0 "[ . 1]" 1
328 1 24 GLU H 1 25 PHE H 3.160 . 3.160 2.788 2.714 2.913 . 0 0 "[ . 1]" 1
329 1 24 GLU HG3 1 25 PHE H 4.770 . 4.770 2.516 2.279 2.893 . 0 0 "[ . 1]" 1
330 1 24 GLU HG2 1 25 PHE H 4.740 . 4.740 2.057 1.795 2.280 0.005 6 0 "[ . 1]" 1
331 1 24 GLU H 1 26 ALA MB 4.730 . 4.730 4.636 4.532 4.702 . 0 0 "[ . 1]" 1
332 1 24 GLU H 1 26 ALA H 3.890 . 3.890 4.039 3.987 4.064 0.174 10 0 "[ . 1]" 1
333 1 24 GLU HA 1 27 LEU HB3 4.600 . 4.600 3.061 2.930 3.236 . 0 0 "[ . 1]" 1
334 1 24 GLU HA 1 27 LEU H 3.830 . 3.830 3.466 3.364 3.612 . 0 0 "[ . 1]" 1
335 1 24 GLU HA 1 27 LEU MD2 3.590 . 3.590 3.617 3.588 3.670 0.080 6 0 "[ . 1]" 1
336 1 24 GLU HG2 1 28 LYS HG2 5.140 . 5.140 4.893 4.135 5.184 0.044 2 0 "[ . 1]" 1
337 1 24 GLU HG3 1 28 LYS HG2 4.670 . 4.670 3.507 2.976 3.858 . 0 0 "[ . 1]" 1
338 1 24 GLU H 1 40 VAL QG 4.130 . 4.130 3.935 3.868 3.983 . 0 0 "[ . 1]" 1
339 1 24 GLU HA 1 40 VAL MG2 4.980 . 4.980 4.496 4.256 4.638 . 0 0 "[ . 1]" 1
340 1 24 GLU H 1 40 VAL MG2 3.840 . 3.840 3.985 3.917 4.039 0.199 10 0 "[ . 1]" 1
341 1 24 GLU HG2 1 86 LEU HG 4.730 . 4.730 4.765 4.682 4.806 0.076 6 0 "[ . 1]" 1
342 1 25 PHE H 1 25 PHE HB2 3.210 . 3.210 2.468 2.440 2.515 . 0 0 "[ . 1]" 1
343 1 25 PHE HA 1 25 PHE QD 3.580 . 3.580 3.085 3.012 3.119 . 0 0 "[ . 1]" 1
344 1 25 PHE H 1 25 PHE HB3 3.190 . 3.190 2.662 2.618 2.695 . 0 0 "[ . 1]" 1
345 1 25 PHE HA 1 25 PHE QE 5.370 . 5.370 4.660 4.631 4.703 . 0 0 "[ . 1]" 1
346 1 25 PHE HB3 1 26 ALA H 3.650 . 3.650 2.708 2.666 2.766 . 0 0 "[ . 1]" 1
347 1 25 PHE QD 1 26 ALA MB 4.600 . 4.600 4.132 4.046 4.178 . 0 0 "[ . 1]" 1
348 1 25 PHE HB2 1 26 ALA H 4.000 . 4.000 3.882 3.830 3.918 . 0 0 "[ . 1]" 1
349 1 25 PHE QD 1 26 ALA HA 3.980 . 3.980 3.054 2.937 3.129 . 0 0 "[ . 1]" 1
350 1 25 PHE QD 1 26 ALA H 3.640 . 3.640 3.621 3.528 3.679 0.039 6 0 "[ . 1]" 1
351 1 25 PHE H 1 28 LYS HG2 5.010 . 5.010 4.090 3.891 4.343 . 0 0 "[ . 1]" 1
352 1 25 PHE HA 1 28 LYS QB 3.830 . 3.830 3.738 3.512 3.840 0.010 9 0 "[ . 1]" 1
353 1 25 PHE QD 1 28 LYS HG3 4.640 . 4.640 3.965 3.863 4.109 . 0 0 "[ . 1]" 1
354 1 25 PHE QE 1 28 LYS QE 5.340 . 5.340 3.755 2.973 5.038 . 0 0 "[ . 1]" 1
355 1 25 PHE HA 1 28 LYS QE 4.320 . 4.320 2.681 1.791 4.297 0.009 9 0 "[ . 1]" 1
356 1 25 PHE QD 1 28 LYS QD 4.500 . 4.500 3.358 2.735 4.154 . 0 0 "[ . 1]" 1
357 1 25 PHE QD 1 29 GLN HB2 4.630 . 4.630 2.807 2.711 2.999 . 0 0 "[ . 1]" 1
358 1 25 PHE QE 1 29 GLN QG 3.640 . 3.640 2.417 1.784 3.389 0.016 5 0 "[ . 1]" 1
359 1 25 PHE QD 1 29 GLN QG 4.540 . 4.540 3.701 3.220 4.490 . 0 0 "[ . 1]" 1
360 1 25 PHE QD 1 29 GLN HB3 4.360 . 4.360 3.750 3.376 4.298 . 0 0 "[ . 1]" 1
361 1 25 PHE QE 1 29 GLN HB2 4.370 . 4.370 2.736 2.562 3.104 . 0 0 "[ . 1]" 1
362 1 25 PHE QE 1 29 GLN H 5.060 . 5.060 5.071 5.003 5.124 0.064 4 0 "[ . 1]" 1
363 1 25 PHE QE 1 29 GLN HA 4.430 . 4.430 4.518 4.449 4.606 0.176 1 0 "[ . 1]" 1
364 1 25 PHE QD 1 77 VAL MG1 3.580 . 3.580 3.126 2.698 3.585 0.005 6 0 "[ . 1]" 1
365 1 25 PHE QD 1 86 LEU HG 3.920 . 3.920 3.938 3.848 3.963 0.043 2 0 "[ . 1]" 1
366 1 25 PHE HA 1 86 LEU HG 5.270 . 5.270 5.313 5.240 5.360 0.090 9 0 "[ . 1]" 1
367 1 25 PHE H 1 86 LEU MD2 4.370 . 4.370 4.271 4.143 4.400 0.030 1 0 "[ . 1]" 1
368 1 25 PHE QD 1 86 LEU HB2 4.440 . 4.440 2.741 2.617 2.820 . 0 0 "[ . 1]" 1
369 1 25 PHE QD 1 86 LEU MD1 5.500 . 5.500 4.535 4.472 4.586 . 0 0 "[ . 1]" 1
370 1 25 PHE HB3 1 86 LEU HG 4.340 . 4.340 3.086 2.843 3.262 . 0 0 "[ . 1]" 1
371 1 25 PHE H 1 86 LEU HG 4.590 . 4.590 4.192 4.113 4.268 . 0 0 "[ . 1]" 1
372 1 25 PHE QD 1 86 LEU HB3 4.500 . 4.500 3.772 3.559 3.928 . 0 0 "[ . 1]" 1
373 1 25 PHE HB2 1 86 LEU HG 4.030 . 4.030 2.841 2.807 2.877 . 0 0 "[ . 1]" 1
374 1 25 PHE QD 1 87 LYS QB 5.470 . 5.470 5.260 5.140 5.388 . 0 0 "[ . 1]" 1
375 1 25 PHE QE 1 87 LYS HA 4.800 . 4.800 2.305 2.111 2.413 . 0 0 "[ . 1]" 1
376 1 25 PHE QD 1 87 LYS H 5.000 . 5.000 4.171 3.976 4.267 . 0 0 "[ . 1]" 1
377 1 25 PHE QD 1 87 LYS HA 3.940 . 3.940 3.775 3.631 3.955 0.015 10 0 "[ . 1]" 1
378 1 25 PHE QE 1 87 LYS QB 4.150 . 4.150 4.270 4.229 4.362 0.212 4 0 "[ . 1]" 1
379 1 25 PHE QD 1 88 LEU MD2 4.810 . 4.810 4.759 4.282 4.837 0.027 8 0 "[ . 1]" 1
380 1 25 PHE QD 1 88 LEU HA 4.620 . 4.620 4.036 3.867 4.208 . 0 0 "[ . 1]" 1
381 1 25 PHE QD 1 88 LEU H 3.710 . 3.710 3.479 3.234 3.737 0.027 5 0 "[ . 1]" 1
382 1 25 PHE QD 1 88 LEU HB2 4.210 . 4.210 2.853 2.766 3.075 . 0 0 "[ . 1]" 1
383 1 25 PHE QD 1 88 LEU MD1 5.500 . 5.500 4.858 4.534 5.466 . 0 0 "[ . 1]" 1
384 1 25 PHE QD 1 88 LEU HB3 4.420 . 4.420 4.474 4.431 4.531 0.111 6 0 "[ . 1]" 1
385 1 26 ALA H 1 26 ALA MB 3.080 . 3.080 2.098 2.043 2.189 . 0 0 "[ . 1]" 1
386 1 26 ALA H 1 27 LEU H 3.440 . 3.440 2.812 2.774 2.877 . 0 0 "[ . 1]" 1
387 1 26 ALA MB 1 27 LEU H 3.490 . 3.490 2.516 2.361 2.653 . 0 0 "[ . 1]" 1
388 1 26 ALA HA 1 29 GLN H 4.360 . 4.360 3.708 3.573 3.832 . 0 0 "[ . 1]" 1
389 1 26 ALA HA 1 75 VAL MG2 4.910 . 4.910 4.514 4.156 4.974 0.064 7 0 "[ . 1]" 1
390 1 26 ALA MB 1 75 VAL MG2 3.670 . 3.670 2.384 2.053 3.125 . 0 0 "[ . 1]" 1
391 1 26 ALA MB 1 75 VAL MG1 4.060 . 4.060 2.841 1.823 3.452 . 0 0 "[ . 1]" 1
392 1 26 ALA MB 1 75 VAL QG 3.830 . 3.830 2.094 1.798 2.300 0.002 2 0 "[ . 1]" 1
393 1 26 ALA HA 1 77 VAL MG1 4.000 . 4.000 2.980 2.685 3.679 . 0 0 "[ . 1]" 1
394 1 26 ALA H 1 86 LEU HG 5.440 . 5.440 5.385 5.154 5.451 0.011 9 0 "[ . 1]" 1
395 1 26 ALA HA 1 88 LEU H 5.330 . 5.330 4.951 4.589 5.171 . 0 0 "[ . 1]" 1
396 1 26 ALA HA 1 88 LEU MD1 4.300 . 4.300 3.421 2.934 4.324 0.024 5 0 "[ . 1]" 1
397 1 26 ALA H 1 88 LEU MD2 5.500 . 5.500 5.374 4.474 5.538 0.038 7 0 "[ . 1]" 1
398 1 26 ALA MB 1 88 LEU MD2 3.730 . 3.730 2.923 1.962 3.222 . 0 0 "[ . 1]" 1
399 1 26 ALA HA 1 88 LEU MD2 3.490 . 3.490 3.344 2.349 3.498 0.008 8 0 "[ . 1]" 1
400 1 26 ALA MB 1 91 PHE QE 4.580 . 4.580 4.189 3.618 4.667 0.087 1 0 "[ . 1]" 1
401 1 26 ALA MB 1 91 PHE QD 4.260 . 4.260 4.093 3.697 4.270 0.010 6 0 "[ . 1]" 1
402 1 27 LEU HA 1 27 LEU MD1 3.120 . 3.120 2.365 2.299 2.416 . 0 0 "[ . 1]" 1
403 1 27 LEU H 1 27 LEU MD2 4.150 . 4.150 4.093 4.055 4.140 . 0 0 "[ . 1]" 1
404 1 27 LEU H 1 27 LEU HG 4.150 . 4.150 4.073 4.032 4.130 . 0 0 "[ . 1]" 1
405 1 27 LEU H 1 27 LEU HB2 3.670 . 3.670 3.025 2.985 3.067 . 0 0 "[ . 1]" 1
406 1 27 LEU HB2 1 27 LEU MD2 3.590 . 3.590 2.439 2.402 2.482 . 0 0 "[ . 1]" 1
407 1 27 LEU H 1 27 LEU MD1 4.410 . 4.410 4.275 4.261 4.288 . 0 0 "[ . 1]" 1
408 1 27 LEU HB2 1 27 LEU HG 3.010 . 3.010 3.016 3.014 3.017 0.007 5 0 "[ . 1]" 1
409 1 27 LEU H 1 27 LEU HB3 2.810 . 2.810 2.165 2.143 2.193 . 0 0 "[ . 1]" 1
410 1 27 LEU HA 1 27 LEU HG 3.740 . 3.740 3.518 3.461 3.566 . 0 0 "[ . 1]" 1
411 1 27 LEU HB3 1 28 LYS H 4.010 . 4.010 2.858 2.771 2.911 . 0 0 "[ . 1]" 1
412 1 27 LEU MD1 1 28 LYS HA 4.050 . 4.050 3.469 3.292 3.681 . 0 0 "[ . 1]" 1
413 1 27 LEU HG 1 28 LYS H 2.880 . 2.880 2.851 2.762 2.913 0.033 1 0 "[ . 1]" 1
414 1 27 LEU HB2 1 28 LYS H 4.370 . 4.370 4.094 4.053 4.128 . 0 0 "[ . 1]" 1
415 1 27 LEU H 1 28 LYS H 3.270 . 3.270 2.706 2.631 2.785 . 0 0 "[ . 1]" 1
416 1 27 LEU MD2 1 28 LYS H 4.400 . 4.400 4.011 3.960 4.098 . 0 0 "[ . 1]" 1
417 1 27 LEU MD2 1 36 ILE HA 4.530 . 4.530 3.702 3.414 3.938 . 0 0 "[ . 1]" 1
418 1 27 LEU HB2 1 37 LEU H 4.260 . 4.260 4.368 4.334 4.396 0.136 2 0 "[ . 1]" 1
419 1 27 LEU MD1 1 37 LEU HA 5.180 . 5.180 4.173 3.852 4.408 . 0 0 "[ . 1]" 1
420 1 27 LEU MD2 1 37 LEU H 3.770 . 3.770 2.151 2.004 2.301 . 0 0 "[ . 1]" 1
421 1 27 LEU HA 1 37 LEU QD 4.500 . 4.500 3.823 3.405 4.034 . 0 0 "[ . 1]" 1
422 1 27 LEU MD2 1 37 LEU HB2 3.510 . 3.510 2.386 2.126 2.574 . 0 0 "[ . 1]" 1
423 1 27 LEU MD2 1 37 LEU HA 3.880 . 3.880 3.915 3.841 3.952 0.072 3 0 "[ . 1]" 1
424 1 27 LEU MD2 1 38 ALA H 5.070 . 5.070 5.082 4.983 5.124 0.054 4 0 "[ . 1]" 1
425 1 27 LEU HA 1 91 PHE QE 3.900 . 3.900 2.707 2.230 3.332 . 0 0 "[ . 1]" 1
426 1 27 LEU MD1 1 91 PHE QE 3.580 . 3.580 3.624 3.606 3.647 0.067 2 0 "[ . 1]" 1
427 1 27 LEU HA 1 91 PHE QD 5.140 . 5.140 4.001 3.756 4.307 . 0 0 "[ . 1]" 1
428 1 27 LEU HB2 1 91 PHE QE 4.030 . 4.030 3.975 3.687 4.060 0.030 2 0 "[ . 1]" 1
429 1 28 LYS H 1 28 LYS QB 3.060 . 3.060 2.541 2.413 2.662 . 0 0 "[ . 1]" 1
430 1 28 LYS H 1 28 LYS QD 4.950 . 4.950 4.191 3.816 4.369 . 0 0 "[ . 1]" 1
431 1 28 LYS QD 1 28 LYS HG3 2.450 . 2.450 2.226 2.140 2.519 0.069 3 0 "[ . 1]" 1
432 1 28 LYS H 1 28 LYS HG2 4.120 . 4.120 2.615 2.344 3.101 . 0 0 "[ . 1]" 1
433 1 28 LYS H 1 28 LYS HG3 3.820 . 3.820 2.647 1.998 2.852 . 0 0 "[ . 1]" 1
434 1 28 LYS HA 1 28 LYS HG3 3.910 . 3.910 3.600 3.562 3.651 . 0 0 "[ . 1]" 1
435 1 28 LYS HA 1 28 LYS QD 4.520 . 4.520 4.181 3.939 4.565 0.045 7 0 "[ . 1]" 1
436 1 28 LYS HA 1 28 LYS HG2 4.130 . 4.130 4.006 3.904 4.163 0.033 3 0 "[ . 1]" 1
437 1 28 LYS H 1 29 GLN H 3.320 . 3.320 2.672 2.631 2.730 . 0 0 "[ . 1]" 1
438 1 28 LYS HG3 1 29 GLN H 5.080 . 5.080 2.515 2.373 2.656 . 0 0 "[ . 1]" 1
439 1 28 LYS QD 1 29 GLN HA 4.360 . 4.360 4.200 3.550 4.421 0.061 7 0 "[ . 1]" 1
440 1 28 LYS QB 1 29 GLN HA 4.930 . 4.930 4.459 4.361 4.575 . 0 0 "[ . 1]" 1
441 1 28 LYS QB 1 29 GLN H 4.030 . 4.030 3.736 3.642 3.763 . 0 0 "[ . 1]" 1
442 1 29 GLN HA 1 29 GLN QG 3.120 . 3.120 2.694 2.119 2.994 . 0 0 "[ . 1]" 1
443 1 29 GLN H 1 29 GLN HB2 3.330 . 3.330 2.532 2.251 2.705 . 0 0 "[ . 1]" 1
444 1 29 GLN H 1 29 GLN QG 4.480 . 4.480 4.032 3.842 4.096 . 0 0 "[ . 1]" 1
445 1 29 GLN H 1 29 GLN HB3 2.740 . 2.740 2.656 2.484 2.878 0.138 5 0 "[ . 1]" 1
446 1 29 GLN H 1 30 HIS HB2 4.890 . 4.890 4.702 4.637 4.862 . 0 0 "[ . 1]" 1
447 1 29 GLN H 1 30 HIS H 3.050 . 3.050 2.421 2.361 2.496 . 0 0 "[ . 1]" 1
448 1 29 GLN HB3 1 30 HIS H 4.030 . 4.030 2.761 2.694 2.970 . 0 0 "[ . 1]" 1
449 1 29 GLN HA 1 30 HIS HA 4.640 . 4.640 4.645 4.573 4.772 0.132 9 0 "[ . 1]" 1
450 1 29 GLN HA 1 31 ALA MB 5.400 . 5.400 5.055 4.455 5.284 . 0 0 "[ . 1]" 1
451 1 29 GLN H 1 31 ALA MB 5.110 . 5.110 5.207 5.128 5.282 0.172 7 0 "[ . 1]" 1
452 1 29 GLN H 1 88 LEU MD1 4.970 . 4.970 3.985 3.341 4.973 0.003 1 0 "[ . 1]" 1
453 1 29 GLN HA 1 88 LEU MD1 5.490 . 5.490 4.426 4.046 5.204 . 0 0 "[ . 1]" 1
454 1 29 GLN QG 1 88 LEU H 4.960 . 4.960 2.386 2.094 3.015 . 0 0 "[ . 1]" 1
455 1 30 HIS H 1 30 HIS HB2 3.200 . 3.200 2.520 2.444 2.660 . 0 0 "[ . 1]" 1
456 1 30 HIS HA 1 30 HIS HD2 5.160 . 5.160 3.349 2.449 4.539 . 0 0 "[ . 1]" 1
457 1 30 HIS H 1 30 HIS HB3 3.180 . 3.180 2.830 2.576 2.997 . 0 0 "[ . 1]" 1
458 1 30 HIS HD2 1 31 ALA MB 4.570 . 4.570 4.610 4.582 4.632 0.062 3 0 "[ . 1]" 1
459 1 30 HIS HA 1 31 ALA MB 4.180 . 4.180 4.036 3.898 4.319 0.139 9 0 "[ . 1]" 1
460 1 30 HIS HB3 1 31 ALA MB 4.590 . 4.590 4.382 3.855 4.626 0.036 7 0 "[ . 1]" 1
461 1 30 HIS HB3 1 31 ALA H 3.830 . 3.830 3.264 1.779 3.923 0.093 10 0 "[ . 1]" 1
462 1 30 HIS HB2 1 31 ALA H 4.860 . 4.860 4.103 3.343 4.462 . 0 0 "[ . 1]" 1
463 1 30 HIS HD2 1 31 ALA H 5.310 . 5.310 2.984 2.387 3.481 . 0 0 "[ . 1]" 1
464 1 30 HIS HB3 1 32 GLU H 5.410 . 5.410 4.578 3.921 4.995 . 0 0 "[ . 1]" 1
465 1 30 HIS HA 1 32 GLU H 3.930 . 3.930 3.973 3.934 4.014 0.084 4 0 "[ . 1]" 1
466 1 30 HIS HD2 1 32 GLU HB3 5.220 . 5.220 3.140 1.761 4.315 0.039 9 0 "[ . 1]" 1
467 1 30 HIS HD2 1 32 GLU H 4.870 . 4.870 2.441 2.004 2.969 . 0 0 "[ . 1]" 1
468 1 30 HIS HD2 1 33 GLN H 5.200 . 5.200 3.928 3.554 4.212 . 0 0 "[ . 1]" 1
469 1 30 HIS HD2 1 35 LEU QD 4.410 . 4.410 3.592 1.825 4.098 . 0 0 "[ . 1]" 1
470 1 30 HIS HB3 1 35 LEU MD2 4.940 . 4.940 3.567 2.760 3.966 . 0 0 "[ . 1]" 1
471 1 30 HIS HD2 1 35 LEU MD2 4.020 . 4.020 3.624 1.826 4.138 0.118 5 0 "[ . 1]" 1
472 1 30 HIS HB3 1 35 LEU QD 5.030 . 5.030 3.514 2.745 3.895 . 0 0 "[ . 1]" 1
473 1 30 HIS HB2 1 35 LEU MD2 5.370 . 5.370 4.902 3.683 5.441 0.071 8 0 "[ . 1]" 1
474 1 30 HIS HA 1 88 LEU MD1 4.460 . 4.460 3.273 2.826 3.569 . 0 0 "[ . 1]" 1
475 1 30 HIS HD2 1 88 LEU MD1 4.820 . 4.820 4.868 4.824 4.912 0.092 7 0 "[ . 1]" 1
476 1 30 HIS HB3 1 88 LEU MD1 4.760 . 4.760 3.453 2.865 4.841 0.081 5 0 "[ . 1]" 1
477 1 30 HIS HB2 1 88 LEU MD1 4.660 . 4.660 2.076 1.752 3.373 0.048 2 0 "[ . 1]" 1
478 1 30 HIS H 1 88 LEU MD1 4.690 . 4.690 2.860 2.298 4.077 . 0 0 "[ . 1]" 1
479 1 30 HIS HB2 1 91 PHE HB3 5.120 . 5.120 3.949 3.526 4.752 . 0 0 "[ . 1]" 1
480 1 30 HIS HA 1 91 PHE HB3 5.260 . 5.260 5.372 5.331 5.431 0.171 10 0 "[ . 1]" 1
481 1 31 ALA H 1 31 ALA MB 3.070 . 3.070 2.847 2.762 2.885 . 0 0 "[ . 1]" 1
482 1 31 ALA H 1 31 ALA HA 2.910 . 2.910 2.667 2.264 2.867 . 0 0 "[ . 1]" 1
483 1 31 ALA H 1 32 GLU H 3.150 . 3.150 2.387 2.076 2.908 . 0 0 "[ . 1]" 1
484 1 31 ALA MB 1 32 GLU H 3.660 . 3.660 3.686 3.660 3.703 0.043 1 0 "[ . 1]" 1
485 1 31 ALA HA 1 32 GLU H 2.900 . 2.900 2.820 2.736 2.935 0.035 9 0 "[ . 1]" 1
486 1 31 ALA MB 1 33 GLN H 5.040 . 5.040 4.655 4.460 4.945 . 0 0 "[ . 1]" 1
487 1 31 ALA HA 1 34 ASN HA 4.020 . 4.020 3.445 2.925 3.822 . 0 0 "[ . 1]" 1
488 1 31 ALA MB 1 34 ASN HB2 4.830 . 4.830 4.597 4.212 4.907 0.077 9 0 "[ . 1]" 1
489 1 31 ALA H 1 34 ASN H 5.220 . 5.220 4.947 4.269 5.214 . 0 0 "[ . 1]" 1
490 1 31 ALA MB 1 34 ASN H 4.860 . 4.860 3.661 3.298 4.310 . 0 0 "[ . 1]" 1
491 1 31 ALA HA 1 34 ASN H 4.250 . 4.250 3.060 2.813 3.279 . 0 0 "[ . 1]" 1
492 1 32 GLU H 1 32 GLU HB3 3.550 . 3.550 2.094 2.045 2.238 . 0 0 "[ . 1]" 1
493 1 32 GLU H 1 32 GLU HB2 3.520 . 3.520 3.237 3.086 3.439 . 0 0 "[ . 1]" 1
494 1 32 GLU H 1 32 GLU HA 2.760 . 2.760 2.841 2.809 2.903 0.143 9 0 "[ . 1]" 1
495 1 32 GLU H 1 32 GLU QG 3.520 . 3.520 3.555 3.359 3.621 0.101 5 0 "[ . 1]" 1
496 1 32 GLU HA 1 32 GLU QG 3.670 . 3.670 3.094 3.016 3.199 . 0 0 "[ . 1]" 1
497 1 32 GLU QG 1 33 GLN HA 3.350 . 3.350 3.193 2.976 3.386 0.036 9 0 "[ . 1]" 1
498 1 32 GLU H 1 33 GLN H 3.530 . 3.530 2.506 2.177 2.657 . 0 0 "[ . 1]" 1
499 1 32 GLU HB3 1 33 GLN H 3.170 . 3.170 3.162 2.960 3.298 0.128 3 0 "[ . 1]" 1
500 1 32 GLU QG 1 33 GLN QG 2.400 . 2.400 2.184 1.773 2.408 0.027 1 0 "[ . 1]" 1
501 1 32 GLU HA 1 33 GLN H 3.440 . 3.440 3.508 3.493 3.519 0.079 1 0 "[ . 1]" 1
502 1 33 GLN H 1 33 GLN QG 3.720 . 3.720 2.057 1.788 2.465 0.012 6 0 "[ . 1]" 1
503 1 33 GLN H 1 33 GLN HB2 3.780 . 3.780 3.260 2.495 3.604 . 0 0 "[ . 1]" 1
504 1 33 GLN H 1 33 GLN HB3 3.510 . 3.510 3.520 3.347 3.628 0.118 7 0 "[ . 1]" 1
505 1 33 GLN HA 1 33 GLN QG 3.420 . 3.420 3.018 2.384 3.288 . 0 0 "[ . 1]" 1
506 1 33 GLN HB3 1 34 ASN H 4.880 . 4.880 4.519 4.085 4.660 . 0 0 "[ . 1]" 1
507 1 33 GLN QG 1 34 ASN H 4.060 . 4.060 3.638 2.999 4.152 0.092 7 0 "[ . 1]" 1
508 1 33 GLN H 1 34 ASN H 3.220 . 3.220 2.299 2.041 2.444 . 0 0 "[ . 1]" 1
509 1 33 GLN HB2 1 34 ASN H 4.000 . 4.000 3.861 3.108 4.142 0.142 6 0 "[ . 1]" 1
510 1 33 GLN QG 1 35 LEU MD2 4.530 . 4.530 3.345 2.246 4.061 . 0 0 "[ . 1]" 1
511 1 33 GLN QG 1 35 LEU QD 5.500 . 5.500 3.315 2.240 4.014 . 0 0 "[ . 1]" 1
512 1 34 ASN H 1 34 ASN HA 2.890 . 2.890 2.256 2.247 2.268 . 0 0 "[ . 1]" 1
513 1 34 ASN H 1 34 ASN HB2 3.260 . 3.260 3.195 3.023 3.293 0.033 7 0 "[ . 1]" 1
514 1 34 ASN H 1 34 ASN HB3 3.470 . 3.470 3.522 3.454 3.594 0.124 3 0 "[ . 1]" 1
515 1 34 ASN HA 1 35 LEU QD 5.490 . 5.490 4.377 3.968 4.711 . 0 0 "[ . 1]" 1
516 1 34 ASN HB3 1 35 LEU H 5.500 . 5.500 4.509 4.480 4.533 . 0 0 "[ . 1]" 1
517 1 34 ASN HB2 1 35 LEU H 4.540 . 4.540 4.495 4.436 4.573 0.033 1 0 "[ . 1]" 1
518 1 34 ASN HA 1 35 LEU H 2.930 . 2.930 2.221 2.178 2.304 . 0 0 "[ . 1]" 1
519 1 34 ASN H 1 35 LEU H 3.610 . 3.610 3.375 3.238 3.522 . 0 0 "[ . 1]" 1
520 1 35 LEU H 1 35 LEU MD2 3.840 . 3.840 3.063 2.722 3.274 . 0 0 "[ . 1]" 1
521 1 35 LEU H 1 35 LEU HG 3.640 . 3.640 2.975 2.772 3.225 . 0 0 "[ . 1]" 1
522 1 35 LEU HB2 1 35 LEU MD1 3.420 . 3.420 2.065 1.942 2.130 . 0 0 "[ . 1]" 1
523 1 35 LEU H 1 35 LEU HB2 3.850 . 3.850 3.889 3.806 3.929 0.079 3 0 "[ . 1]" 1
524 1 35 LEU H 1 35 LEU QD 3.970 . 3.970 3.001 2.691 3.184 . 0 0 "[ . 1]" 1
525 1 35 LEU HB3 1 35 LEU MD2 3.400 . 3.400 1.940 1.897 2.066 . 0 0 "[ . 1]" 1
526 1 35 LEU HA 1 35 LEU HG 3.950 . 3.950 3.583 3.547 3.618 . 0 0 "[ . 1]" 1
527 1 35 LEU HA 1 35 LEU QD 3.460 . 3.460 3.419 3.371 3.456 . 0 0 "[ . 1]" 1
528 1 35 LEU H 1 35 LEU HB3 3.380 . 3.380 2.973 2.747 3.185 . 0 0 "[ . 1]" 1
529 1 35 LEU HA 1 36 ILE HG12 3.680 . 3.680 3.791 3.777 3.801 0.121 10 0 "[ . 1]" 1
530 1 35 LEU HB2 1 36 ILE HA 5.380 . 5.380 4.985 4.795 5.206 . 0 0 "[ . 1]" 1
531 1 35 LEU HB2 1 36 ILE H 4.180 . 4.180 2.737 2.474 3.099 . 0 0 "[ . 1]" 1
532 1 35 LEU QD 1 36 ILE H 3.960 . 3.960 2.949 2.603 3.253 . 0 0 "[ . 1]" 1
533 1 35 LEU HA 1 36 ILE H 3.010 . 3.010 2.377 2.278 2.463 . 0 0 "[ . 1]" 1
534 1 35 LEU HA 1 36 ILE HB 5.070 . 5.070 5.145 5.130 5.158 0.088 3 0 "[ . 1]" 1
535 1 35 LEU H 1 36 ILE H 4.530 . 4.530 4.442 4.386 4.504 . 0 0 "[ . 1]" 1
536 1 35 LEU MD1 1 36 ILE H 3.860 . 3.860 2.984 2.620 3.315 . 0 0 "[ . 1]" 1
537 1 35 LEU HA 1 36 ILE HG13 4.350 . 4.350 2.997 2.920 3.061 . 0 0 "[ . 1]" 1
538 1 35 LEU HG 1 37 LEU H 5.090 . 5.090 4.486 4.308 4.765 . 0 0 "[ . 1]" 1
539 1 35 LEU QD 1 62 ALA HA 5.500 . 5.500 3.923 3.770 4.134 . 0 0 "[ . 1]" 1
540 1 35 LEU HG 1 62 ALA MB 3.890 . 3.890 3.803 3.670 3.903 0.013 4 0 "[ . 1]" 1
541 1 35 LEU MD1 1 62 ALA HA 5.500 . 5.500 3.954 3.798 4.170 . 0 0 "[ . 1]" 1
542 1 35 LEU HB2 1 62 ALA MB 4.520 . 4.520 3.755 3.367 4.006 . 0 0 "[ . 1]" 1
543 1 35 LEU MD1 1 62 ALA MB 3.360 . 3.360 1.860 1.785 1.923 0.015 8 0 "[ . 1]" 1
544 1 35 LEU HA 1 64 HIS HD2 3.330 . 3.330 2.719 1.798 3.333 0.003 3 0 "[ . 1]" 1
545 1 35 LEU MD1 1 73 TYR QE 4.740 . 4.740 2.938 1.773 3.392 0.027 9 0 "[ . 1]" 1
546 1 35 LEU MD2 1 73 TYR QE 5.220 . 5.220 3.921 3.346 4.231 . 0 0 "[ . 1]" 1
547 1 35 LEU MD2 1 73 TYR QD 4.170 . 4.170 4.213 4.183 4.264 0.094 5 0 "[ . 1]" 1
548 1 35 LEU MD1 1 73 TYR HB3 4.720 . 4.720 4.733 4.670 4.767 0.047 6 0 "[ . 1]" 1
549 1 35 LEU MD2 1 91 PHE QE 4.180 . 4.180 3.149 2.640 3.984 . 0 0 "[ . 1]" 1
550 1 36 ILE H 1 36 ILE MD 4.820 . 4.820 3.535 3.486 3.562 . 0 0 "[ . 1]" 1
551 1 36 ILE HG12 1 36 ILE MG 3.750 . 3.750 2.320 2.249 2.366 . 0 0 "[ . 1]" 1
552 1 36 ILE HA 1 36 ILE HG12 4.150 . 4.150 3.107 3.074 3.135 . 0 0 "[ . 1]" 1
553 1 36 ILE H 1 36 ILE HG13 3.890 . 3.890 1.910 1.842 1.972 . 0 0 "[ . 1]" 1
554 1 36 ILE H 1 36 ILE HB 3.260 . 3.260 3.066 3.037 3.089 . 0 0 "[ . 1]" 1
555 1 36 ILE HA 1 36 ILE HG13 4.100 . 4.100 3.370 3.332 3.401 . 0 0 "[ . 1]" 1
556 1 36 ILE HA 1 36 ILE MG 3.260 . 3.260 2.141 2.090 2.171 . 0 0 "[ . 1]" 1
557 1 36 ILE HA 1 37 LEU H 2.770 . 2.770 2.140 2.125 2.163 . 0 0 "[ . 1]" 1
558 1 36 ILE MG 1 37 LEU H 3.540 . 3.540 2.865 2.771 2.934 . 0 0 "[ . 1]" 1
559 1 36 ILE HB 1 37 LEU H 4.290 . 4.290 3.833 3.815 3.855 . 0 0 "[ . 1]" 1
560 1 36 ILE HA 1 37 LEU HB3 4.680 . 4.680 4.766 4.730 4.815 0.135 9 0 "[ . 1]" 1
561 1 36 ILE HA 1 37 LEU HB2 5.100 . 5.100 4.368 4.287 4.473 . 0 0 "[ . 1]" 1
562 1 36 ILE MG 1 38 ALA HA 4.760 . 4.760 4.456 4.391 4.543 . 0 0 "[ . 1]" 1
563 1 36 ILE MG 1 62 ALA HA 5.180 . 5.180 5.257 5.237 5.291 0.111 2 0 "[ . 1]" 1
564 1 36 ILE HA 1 63 LYS QE 4.830 . 4.830 4.562 4.338 4.842 0.012 7 0 "[ . 1]" 1
565 1 36 ILE MG 1 63 LYS H 5.220 . 5.220 4.610 4.570 4.646 . 0 0 "[ . 1]" 1
566 1 36 ILE HB 1 63 LYS H 4.030 . 4.030 3.244 3.198 3.287 . 0 0 "[ . 1]" 1
567 1 36 ILE HB 1 63 LYS QE 5.380 . 5.380 2.015 1.797 2.221 0.003 6 0 "[ . 1]" 1
568 1 36 ILE MD 1 63 LYS HB2 5.130 . 5.130 4.517 4.329 4.653 . 0 0 "[ . 1]" 1
569 1 36 ILE MG 1 63 LYS QE 4.520 . 4.520 3.113 2.875 3.287 . 0 0 "[ . 1]" 1
570 1 36 ILE MD 1 63 LYS QE 4.740 . 4.740 2.559 2.137 3.303 . 0 0 "[ . 1]" 1
571 1 36 ILE MD 1 63 LYS HA 5.040 . 5.040 5.107 5.080 5.131 0.091 7 0 "[ . 1]" 1
572 1 36 ILE MD 1 63 LYS H 4.560 . 4.560 4.307 4.226 4.364 . 0 0 "[ . 1]" 1
573 1 36 ILE MD 1 64 HIS HB3 4.320 . 4.320 4.130 3.980 4.266 . 0 0 "[ . 1]" 1
574 1 36 ILE MD 1 64 HIS HA 3.640 . 3.640 2.451 2.234 2.786 . 0 0 "[ . 1]" 1
575 1 36 ILE MD 1 64 HIS H 4.610 . 4.610 4.208 4.162 4.266 . 0 0 "[ . 1]" 1
576 1 36 ILE MD 1 64 HIS HB2 4.750 . 4.750 4.688 4.552 4.778 0.028 1 0 "[ . 1]" 1
577 1 36 ILE H 1 64 HIS HD2 4.880 . 4.880 3.564 2.498 4.901 0.021 10 0 "[ . 1]" 1
578 1 36 ILE MD 1 65 SER HA . . 4.000 3.246 2.882 3.570 . 0 0 "[ . 1]" 1
579 1 36 ILE MD 1 65 SER H 4.820 . 4.820 3.452 3.315 3.569 . 0 0 "[ . 1]" 1
580 1 37 LEU HA 1 37 LEU QD 3.300 . 3.300 2.466 2.255 3.028 . 0 0 "[ . 1]" 1
581 1 37 LEU H 1 37 LEU QD 4.110 . 4.110 3.686 3.643 3.753 . 0 0 "[ . 1]" 1
582 1 37 LEU H 1 37 LEU HB3 3.150 . 3.150 2.635 2.577 2.700 . 0 0 "[ . 1]" 1
583 1 37 LEU H 1 37 LEU HB2 3.140 . 3.140 2.541 2.489 2.615 . 0 0 "[ . 1]" 1
584 1 37 LEU HA 1 37 LEU HG 4.090 . 4.090 2.644 2.320 2.749 . 0 0 "[ . 1]" 1
585 1 37 LEU H 1 38 ALA H 4.880 . 4.880 4.377 4.333 4.434 . 0 0 "[ . 1]" 1
586 1 37 LEU HB3 1 38 ALA H 4.530 . 4.530 4.196 4.165 4.223 . 0 0 "[ . 1]" 1
587 1 37 LEU HA 1 38 ALA MB 4.340 . 4.340 4.004 3.982 4.029 . 0 0 "[ . 1]" 1
588 1 37 LEU QD 1 38 ALA H 3.550 . 3.550 3.490 3.344 3.576 0.026 9 0 "[ . 1]" 1
589 1 37 LEU HA 1 38 ALA H 3.040 . 3.040 2.136 2.109 2.155 . 0 0 "[ . 1]" 1
590 1 37 LEU HB2 1 39 GLY H 4.770 . 4.770 4.839 4.795 4.916 0.146 9 0 "[ . 1]" 1
591 1 37 LEU HA 1 39 GLY H 4.150 . 4.150 3.687 3.642 3.775 . 0 0 "[ . 1]" 1
592 1 37 LEU QD 1 39 GLY H 3.200 . 3.200 2.923 2.122 3.152 . 0 0 "[ . 1]" 1
593 1 37 LEU HG 1 39 GLY H 4.020 . 4.020 2.202 2.022 2.828 . 0 0 "[ . 1]" 1
594 1 37 LEU QD 1 60 LEU HB3 4.270 . 4.270 2.336 1.823 2.553 . 0 0 "[ . 1]" 1
595 1 37 LEU QD 1 60 LEU HA 3.880 . 3.880 3.756 3.654 3.883 0.003 6 0 "[ . 1]" 1
596 1 37 LEU QD 1 61 SER H 4.170 . 4.170 3.096 2.976 3.249 . 0 0 "[ . 1]" 1
597 1 37 LEU QD 1 62 ALA HA 4.740 . 4.740 3.449 3.174 4.061 . 0 0 "[ . 1]" 1
598 1 37 LEU HA 1 62 ALA HA 3.850 . 3.850 2.026 1.864 2.139 . 0 0 "[ . 1]" 1
599 1 37 LEU HA 1 62 ALA MB 4.150 . 4.150 1.787 1.736 1.799 0.064 9 0 "[ . 1]" 1
600 1 37 LEU HA 1 73 TYR QD 5.300 . 5.300 5.344 5.307 5.407 0.107 5 0 "[ . 1]" 1
601 1 37 LEU QD 1 73 TYR H 4.460 . 4.460 4.392 4.104 4.535 0.075 8 0 "[ . 1]" 1
602 1 37 LEU QD 1 73 TYR QD 5.490 . 5.490 3.268 2.906 3.750 . 0 0 "[ . 1]" 1
603 1 37 LEU QD 1 73 TYR HB3 4.370 . 4.370 4.461 4.402 4.579 0.209 9 0 "[ . 1]" 1
604 1 38 ALA H 1 38 ALA MB 3.280 . 3.280 2.232 2.212 2.246 . 0 0 "[ . 1]" 1
605 1 38 ALA MB 1 39 GLY HA2 5.500 . 5.500 4.538 4.495 4.561 . 0 0 "[ . 1]" 1
606 1 38 ALA MB 1 39 GLY H 3.550 . 3.550 2.824 2.711 2.885 . 0 0 "[ . 1]" 1
607 1 38 ALA H 1 39 GLY H 3.020 . 3.020 2.641 2.607 2.678 . 0 0 "[ . 1]" 1
608 1 38 ALA MB 1 61 SER QB 3.260 . 3.260 2.437 2.073 2.664 . 0 0 "[ . 1]" 1
609 1 38 ALA MB 1 61 SER H 5.440 . 5.440 4.288 3.864 4.524 . 0 0 "[ . 1]" 1
610 1 38 ALA MB 1 61 SER HA 5.020 . 5.020 4.509 4.228 4.720 . 0 0 "[ . 1]" 1
611 1 38 ALA H 1 61 SER QB 4.890 . 4.890 3.698 3.589 3.816 . 0 0 "[ . 1]" 1
612 1 38 ALA MB 1 62 ALA HA 3.860 . 3.860 3.182 2.958 3.390 . 0 0 "[ . 1]" 1
613 1 38 ALA H 1 62 ALA HA 3.290 . 3.290 1.850 1.769 1.973 0.031 10 0 "[ . 1]" 1
614 1 38 ALA H 1 62 ALA H 5.340 . 5.340 4.069 3.888 4.208 . 0 0 "[ . 1]" 1
615 1 38 ALA MB 1 62 ALA H 5.110 . 5.110 4.238 3.892 4.528 . 0 0 "[ . 1]" 1
616 1 38 ALA H 1 62 ALA MB 4.170 . 4.170 3.187 3.056 3.337 . 0 0 "[ . 1]" 1
617 1 38 ALA H 1 63 LYS H 4.420 . 4.420 3.456 3.378 3.562 . 0 0 "[ . 1]" 1
618 1 38 ALA MB 1 63 LYS H 3.820 . 3.820 3.855 3.821 3.885 0.065 6 0 "[ . 1]" 1
619 1 38 ALA MB 1 63 LYS QE 3.920 . 3.920 2.674 1.848 3.534 . 0 0 "[ . 1]" 1
620 1 38 ALA MB 1 70 SER HB2 4.110 . 4.110 4.038 3.653 4.198 0.088 4 0 "[ . 1]" 1
621 1 38 ALA MB 1 70 SER HA 5.290 . 5.290 4.769 4.388 5.046 . 0 0 "[ . 1]" 1
622 1 39 GLY HA2 1 40 VAL H 3.000 . 3.000 2.399 2.326 2.490 . 0 0 "[ . 1]" 1
623 1 39 GLY HA2 1 40 VAL QG 4.440 . 4.440 3.837 3.598 3.991 . 0 0 "[ . 1]" 1
624 1 39 GLY H 1 40 VAL H 4.360 . 4.360 4.367 4.323 4.399 0.039 3 0 "[ . 1]" 1
625 1 39 GLY HA3 1 40 VAL H 2.970 . 2.970 2.660 2.556 2.744 . 0 0 "[ . 1]" 1
626 1 39 GLY H 1 60 LEU HB3 5.230 . 5.230 3.905 3.608 4.074 . 0 0 "[ . 1]" 1
627 1 39 GLY H 1 61 SER H 3.800 . 3.800 3.323 3.108 3.449 . 0 0 "[ . 1]" 1
628 1 39 GLY H 1 61 SER QB 3.600 . 3.600 3.373 3.083 3.731 0.131 9 0 "[ . 1]" 1
629 1 39 GLY H 1 62 ALA HA 4.580 . 4.580 4.190 4.166 4.213 . 0 0 "[ . 1]" 1
630 1 40 VAL H 1 40 VAL MG2 3.200 . 3.200 2.712 2.307 2.935 . 0 0 "[ . 1]" 1
631 1 40 VAL H 1 40 VAL QG 3.380 . 3.380 2.634 2.287 2.806 . 0 0 "[ . 1]" 1
632 1 40 VAL H 1 40 VAL HB 3.130 . 3.130 2.244 2.148 2.369 . 0 0 "[ . 1]" 1
633 1 40 VAL HA 1 40 VAL MG2 3.080 . 3.080 2.264 2.208 2.375 . 0 0 "[ . 1]" 1
634 1 40 VAL HA 1 40 VAL QG 3.310 . 3.310 2.148 2.116 2.189 . 0 0 "[ . 1]" 1
635 1 40 VAL MG1 1 41 ASP HA 4.860 . 4.860 3.556 3.419 3.717 . 0 0 "[ . 1]" 1
636 1 40 VAL QG 1 41 ASP H 3.670 . 3.670 2.538 2.313 2.787 . 0 0 "[ . 1]" 1
637 1 40 VAL MG1 1 41 ASP HB2 4.640 . 4.640 4.516 4.300 4.712 0.072 9 0 "[ . 1]" 1
638 1 40 VAL HA 1 41 ASP H 3.180 . 3.180 2.189 2.153 2.217 . 0 0 "[ . 1]" 1
639 1 40 VAL MG1 1 41 ASP H 4.230 . 4.230 2.589 2.330 2.880 . 0 0 "[ . 1]" 1
640 1 40 VAL HA 1 42 ALA H 5.020 . 5.020 4.540 4.349 4.655 . 0 0 "[ . 1]" 1
641 1 40 VAL MG1 1 42 ALA HA 3.830 . 3.830 3.711 3.492 3.895 0.065 1 0 "[ . 1]" 1
642 1 40 VAL MG1 1 42 ALA H 3.390 . 3.390 3.427 3.376 3.441 0.051 5 0 "[ . 1]" 1
643 1 40 VAL QG 1 42 ALA H 3.450 . 3.450 3.378 3.343 3.399 . 0 0 "[ . 1]" 1
644 1 40 VAL HA 1 60 LEU MD2 3.920 . 3.920 2.102 1.922 2.337 . 0 0 "[ . 1]" 1
645 1 40 VAL HA 1 60 LEU HA 3.320 . 3.320 3.121 2.930 3.267 . 0 0 "[ . 1]" 1
646 1 40 VAL MG1 1 60 LEU HA 4.780 . 4.780 4.390 4.260 4.511 . 0 0 "[ . 1]" 1
647 1 40 VAL MG1 1 60 LEU HG 4.130 . 4.130 3.600 3.209 3.746 . 0 0 "[ . 1]" 1
648 1 40 VAL HA 1 60 LEU HB3 4.080 . 4.080 2.174 2.078 2.257 . 0 0 "[ . 1]" 1
649 1 40 VAL HB 1 60 LEU HB3 5.000 . 5.000 5.038 4.997 5.077 0.077 7 0 "[ . 1]" 1
650 1 40 VAL HA 1 60 LEU HB2 4.470 . 4.470 3.817 3.706 3.895 . 0 0 "[ . 1]" 1
651 1 40 VAL HA 1 61 SER H 4.010 . 4.010 3.832 3.701 3.971 . 0 0 "[ . 1]" 1
652 1 41 ASP H 1 41 ASP HB2 3.450 . 3.450 2.405 2.225 2.573 . 0 0 "[ . 1]" 1
653 1 41 ASP H 1 41 ASP HB3 4.170 . 4.170 3.162 2.815 3.623 . 0 0 "[ . 1]" 1
654 1 41 ASP H 1 42 ALA H 3.030 . 3.030 2.502 2.338 2.606 . 0 0 "[ . 1]" 1
655 1 41 ASP HB3 1 42 ALA H 4.010 . 4.010 2.312 1.977 3.013 . 0 0 "[ . 1]" 1
656 1 41 ASP HB3 1 42 ALA MB 5.260 . 5.260 3.147 2.963 3.301 . 0 0 "[ . 1]" 1
657 1 41 ASP HB2 1 42 ALA H 3.740 . 3.740 2.958 2.318 3.325 . 0 0 "[ . 1]" 1
658 1 41 ASP HB3 1 59 ILE MG 4.320 . 4.320 4.047 3.558 4.361 0.041 7 0 "[ . 1]" 1
659 1 41 ASP HB2 1 59 ILE HB 4.280 . 4.280 4.246 3.830 4.342 0.062 8 0 "[ . 1]" 1
660 1 41 ASP H 1 60 LEU H 4.870 . 4.870 4.680 4.584 4.774 . 0 0 "[ . 1]" 1
661 1 41 ASP H 1 60 LEU MD2 4.510 . 4.510 3.606 3.423 3.879 . 0 0 "[ . 1]" 1
662 1 41 ASP H 1 60 LEU HA 3.660 . 3.660 2.187 1.980 2.391 . 0 0 "[ . 1]" 1
663 1 41 ASP H 1 60 LEU HB3 4.990 . 4.990 3.124 2.716 3.447 . 0 0 "[ . 1]" 1
664 1 41 ASP HA 1 60 LEU HA 4.850 . 4.850 4.280 4.117 4.505 . 0 0 "[ . 1]" 1
665 1 41 ASP H 1 61 SER H 4.360 . 4.360 3.856 3.518 4.191 . 0 0 "[ . 1]" 1
666 1 42 ALA H 1 42 ALA MB 3.670 . 3.670 2.683 2.525 2.806 . 0 0 "[ . 1]" 1
667 1 42 ALA H 1 43 GLY H 4.590 . 4.590 4.405 4.339 4.459 . 0 0 "[ . 1]" 1
668 1 42 ALA MB 1 43 GLY H 3.310 . 3.310 2.448 2.267 2.792 . 0 0 "[ . 1]" 1
669 1 42 ALA H 1 59 ILE MG 4.890 . 4.890 4.442 4.103 4.805 . 0 0 "[ . 1]" 1
670 1 42 ALA H 1 59 ILE H 3.730 . 3.730 3.278 3.160 3.450 . 0 0 "[ . 1]" 1
671 1 42 ALA H 1 59 ILE HB 3.490 . 3.490 3.363 3.156 3.515 0.025 6 0 "[ . 1]" 1
672 1 42 ALA H 1 59 ILE HG12 5.320 . 5.320 4.984 4.312 5.357 0.037 7 0 "[ . 1]" 1
673 1 42 ALA H 1 60 LEU HA 4.320 . 4.320 3.596 3.379 3.856 . 0 0 "[ . 1]" 1
674 1 42 ALA H 1 60 LEU MD1 5.080 . 5.080 5.064 4.967 5.127 0.047 3 0 "[ . 1]" 1
675 1 43 GLY HA3 1 44 GLN QG 4.300 . 4.300 4.417 4.322 4.523 0.223 3 0 "[ . 1]" 1
676 1 43 GLY H 1 44 GLN QG 4.910 . 4.910 4.187 3.884 4.573 . 0 0 "[ . 1]" 1
677 1 43 GLY HA2 1 44 GLN H 3.530 . 3.530 2.497 2.322 2.712 . 0 0 "[ . 1]" 1
678 1 43 GLY H 1 58 LEU HA 4.590 . 4.590 4.612 4.579 4.646 0.056 7 0 "[ . 1]" 1
679 1 43 GLY HA2 1 58 LEU HA 3.890 . 3.890 1.872 1.783 2.036 0.017 7 0 "[ . 1]" 1
680 1 43 GLY HA3 1 58 LEU HB3 5.240 . 5.240 2.956 2.537 3.638 . 0 0 "[ . 1]" 1
681 1 43 GLY H 1 58 LEU MD2 4.420 . 4.420 3.584 3.147 3.807 . 0 0 "[ . 1]" 1
682 1 43 GLY HA2 1 58 LEU HB3 5.240 . 5.240 3.000 2.483 3.387 . 0 0 "[ . 1]" 1
683 1 43 GLY HA3 1 58 LEU MD2 3.770 . 3.770 1.776 1.728 1.812 0.072 1 0 "[ . 1]" 1
684 1 43 GLY HA3 1 58 LEU HA 4.020 . 4.020 2.943 2.469 3.713 . 0 0 "[ . 1]" 1
685 1 43 GLY HA3 1 59 ILE H 4.430 . 4.430 3.855 3.307 4.398 . 0 0 "[ . 1]" 1
686 1 43 GLY HA2 1 59 ILE H 4.750 . 4.750 2.874 2.684 3.005 . 0 0 "[ . 1]" 1
687 1 44 GLN HB2 1 44 GLN QG 2.400 . 2.400 2.313 2.130 2.481 0.081 4 0 "[ . 1]" 1
688 1 44 GLN H 1 44 GLN QG 4.540 . 4.540 3.353 3.194 3.531 . 0 0 "[ . 1]" 1
689 1 44 GLN HB2 1 45 ILE H 5.190 . 5.190 3.997 3.701 4.270 . 0 0 "[ . 1]" 1
690 1 44 GLN HB3 1 45 ILE H 4.730 . 4.730 2.813 2.376 3.171 . 0 0 "[ . 1]" 1
691 1 44 GLN QG 1 45 ILE H 5.220 . 5.220 3.887 3.526 4.300 . 0 0 "[ . 1]" 1
692 1 44 GLN HA 1 45 ILE H 3.200 . 3.200 2.319 2.199 2.471 . 0 0 "[ . 1]" 1
693 1 44 GLN HB3 1 57 ASN HB3 3.350 . 3.350 3.464 3.418 3.518 0.168 6 0 "[ . 1]" 1
694 1 44 GLN H 1 57 ASN HB3 5.030 . 5.030 3.664 3.381 4.062 . 0 0 "[ . 1]" 1
695 1 45 ILE HA 1 45 ILE MG 3.530 . 3.530 2.374 2.155 2.526 . 0 0 "[ . 1]" 1
696 1 45 ILE HA 1 45 ILE MD 3.700 . 3.700 3.462 2.263 3.863 0.163 6 0 "[ . 1]" 1
697 1 45 ILE HA 1 45 ILE QG 3.660 . 3.660 2.404 2.172 3.165 . 0 0 "[ . 1]" 1
698 1 45 ILE H 1 45 ILE HB 3.510 . 3.510 2.763 2.565 2.926 . 0 0 "[ . 1]" 1
699 1 45 ILE H 1 45 ILE MG 4.500 . 4.500 3.877 3.758 3.970 . 0 0 "[ . 1]" 1
700 1 45 ILE H 1 46 ILE QG 4.230 . 4.230 4.241 4.075 4.299 0.069 3 0 "[ . 1]" 1
701 1 45 ILE HA 1 46 ILE H 3.060 . 3.060 2.164 2.135 2.211 . 0 0 "[ . 1]" 1
702 1 45 ILE MG 1 46 ILE QG 4.880 . 4.880 4.350 4.123 4.525 . 0 0 "[ . 1]" 1
703 1 45 ILE MG 1 46 ILE H 3.600 . 3.600 2.397 2.046 2.727 . 0 0 "[ . 1]" 1
704 1 45 ILE MG 1 47 LYS QE 4.890 . 4.890 3.597 2.424 4.758 . 0 0 "[ . 1]" 1
705 1 45 ILE MG 1 47 LYS QD 4.930 . 4.930 3.370 1.761 4.383 0.039 10 0 "[ . 1]" 1
706 1 45 ILE MG 1 47 LYS QG 4.420 . 4.420 3.144 1.945 4.433 0.013 6 0 "[ . 1]" 1
707 1 45 ILE MG 1 54 ASN HB2 4.030 . 4.030 4.099 4.036 4.189 0.159 2 0 "[ . 1]" 1
708 1 45 ILE MG 1 54 ASN HB3 4.240 . 4.240 3.116 2.738 3.372 . 0 0 "[ . 1]" 1
709 1 45 ILE MG 1 55 TYR HB3 5.050 . 5.050 4.897 4.469 5.123 0.073 2 0 "[ . 1]" 1
710 1 45 ILE MG 1 55 TYR HA 5.500 . 5.500 4.926 4.556 5.380 . 0 0 "[ . 1]" 1
711 1 45 ILE MG 1 55 TYR HB2 5.150 . 5.150 4.816 4.487 5.154 0.004 10 0 "[ . 1]" 1
712 1 45 ILE H 1 56 TYR HA 5.210 . 5.210 5.197 5.118 5.252 0.042 3 0 "[ . 1]" 1
713 1 45 ILE MG 1 56 TYR QE 4.740 . 4.740 3.263 2.814 3.693 . 0 0 "[ . 1]" 1
714 1 45 ILE HB 1 56 TYR QD 5.500 . 5.500 5.454 5.281 5.555 0.055 2 0 "[ . 1]" 1
715 1 45 ILE HA 1 56 TYR HA 2.950 . 2.950 2.547 2.412 2.676 . 0 0 "[ . 1]" 1
716 1 45 ILE MD 1 56 TYR QE 3.810 . 3.810 2.567 2.065 3.227 . 0 0 "[ . 1]" 1
717 1 45 ILE MG 1 56 TYR H 5.500 . 5.500 4.887 4.299 5.298 . 0 0 "[ . 1]" 1
718 1 45 ILE QG 1 56 TYR QD 5.160 . 5.160 2.896 2.579 3.426 . 0 0 "[ . 1]" 1
719 1 45 ILE MG 1 56 TYR HA 4.550 . 4.550 3.452 2.826 3.926 . 0 0 "[ . 1]" 1
720 1 45 ILE MG 1 56 TYR QD 3.960 . 3.960 3.577 3.047 4.024 0.064 4 0 "[ . 1]" 1
721 1 46 ILE H 1 46 ILE MG 4.590 . 4.590 3.839 3.796 3.864 . 0 0 "[ . 1]" 1
722 1 46 ILE H 1 46 ILE QG 4.790 . 4.790 2.595 2.461 2.716 . 0 0 "[ . 1]" 1
723 1 46 ILE HA 1 46 ILE QG 4.000 . 4.000 2.486 2.367 2.740 . 0 0 "[ . 1]" 1
724 1 46 ILE H 1 46 ILE HB 3.730 . 3.730 2.610 2.510 2.689 . 0 0 "[ . 1]" 1
725 1 46 ILE HA 1 47 LYS QD 4.220 . 4.220 3.667 2.985 4.230 0.010 9 0 "[ . 1]" 1
726 1 46 ILE QG 1 47 LYS H 5.500 . 5.500 4.286 4.135 4.600 . 0 0 "[ . 1]" 1
727 1 46 ILE MG 1 47 LYS H 4.220 . 4.220 2.858 2.630 2.977 . 0 0 "[ . 1]" 1
728 1 46 ILE HA 1 47 LYS H 3.280 . 3.280 2.123 2.105 2.142 . 0 0 "[ . 1]" 1
729 1 46 ILE MG 1 48 GLY H 5.190 . 5.190 5.059 4.946 5.127 . 0 0 "[ . 1]" 1
730 1 46 ILE HB 1 55 TYR HB3 3.980 . 3.980 2.758 2.153 3.146 . 0 0 "[ . 1]" 1
731 1 46 ILE MG 1 55 TYR HB3 5.290 . 5.290 4.103 3.642 4.493 . 0 0 "[ . 1]" 1
732 1 46 ILE HB 1 55 TYR QD 5.080 . 5.080 3.757 3.411 4.130 . 0 0 "[ . 1]" 1
733 1 46 ILE HB 1 55 TYR HB2 4.320 . 4.320 2.796 1.931 3.156 . 0 0 "[ . 1]" 1
734 1 46 ILE MG 1 55 TYR HB2 5.410 . 5.410 3.684 3.181 3.925 . 0 0 "[ . 1]" 1
735 1 47 LYS H 1 47 LYS QD 5.000 . 5.000 2.343 1.905 3.130 . 0 0 "[ . 1]" 1
736 1 47 LYS QE 1 47 LYS QG 3.330 . 3.330 2.129 1.975 2.408 . 0 0 "[ . 1]" 1
737 1 47 LYS HA 1 48 GLY HA3 5.500 . 5.500 4.331 4.317 4.350 . 0 0 "[ . 1]" 1
738 1 47 LYS HA 1 48 GLY H 3.010 . 3.010 2.324 2.268 2.341 . 0 0 "[ . 1]" 1
739 1 48 GLY H 1 49 ILE H 4.230 . 4.230 2.499 2.350 2.892 . 0 0 "[ . 1]" 1
740 1 48 GLY HA2 1 49 ILE HB 5.240 . 5.240 5.207 5.133 5.350 0.110 7 0 "[ . 1]" 1
741 1 49 ILE H 1 49 ILE MG 4.120 . 4.120 2.409 2.088 3.463 . 0 0 "[ . 1]" 1
742 1 49 ILE H 1 49 ILE MD 4.850 . 4.850 4.531 4.133 4.710 . 0 0 "[ . 1]" 1
743 1 49 ILE MG 1 50 PRO HA 4.040 . 4.040 4.111 3.923 4.186 0.146 3 0 "[ . 1]" 1
744 1 50 PRO HB2 1 51 HIS H 3.520 . 3.520 3.650 3.616 3.677 0.157 6 0 "[ . 1]" 1
745 1 50 PRO HB3 1 51 HIS H 4.740 . 4.740 4.066 4.050 4.092 . 0 0 "[ . 1]" 1
746 1 50 PRO HB2 1 52 TRP HE3 3.730 . 3.730 3.891 3.867 3.936 0.206 10 0 "[ . 1]" 1
747 1 51 HIS H 1 51 HIS QB 3.760 . 3.760 2.555 2.461 3.064 . 0 0 "[ . 1]" 1
748 1 51 HIS H 1 52 TRP H 3.420 . 3.420 2.151 1.981 2.208 . 0 0 "[ . 1]" 1
749 1 51 HIS H 1 53 ASP H 4.250 . 4.250 2.659 2.601 2.783 . 0 0 "[ . 1]" 1
750 1 52 TRP QB 1 52 TRP HE3 3.690 . 3.690 3.373 3.320 3.446 . 0 0 "[ . 1]" 1
751 1 52 TRP HA 1 52 TRP HD1 5.110 . 5.110 4.550 4.521 4.567 . 0 0 "[ . 1]" 1
752 1 52 TRP QB 1 52 TRP HD1 3.640 . 3.640 2.555 2.545 2.569 . 0 0 "[ . 1]" 1
753 1 52 TRP QB 1 53 ASP H 4.140 . 4.140 3.852 3.829 3.892 . 0 0 "[ . 1]" 1
754 1 52 TRP H 1 53 ASP H 4.160 . 4.160 2.443 2.384 2.567 . 0 0 "[ . 1]" 1
755 1 52 TRP HZ3 1 54 ASN HB2 5.020 . 5.020 3.781 3.562 3.982 . 0 0 "[ . 1]" 1
756 1 52 TRP HZ3 1 54 ASN HB3 4.700 . 4.700 4.815 4.766 4.881 0.181 7 0 "[ . 1]" 1
757 1 53 ASP H 1 53 ASP QB 3.400 . 3.400 2.698 2.482 3.085 . 0 0 "[ . 1]" 1
758 1 53 ASP HA 1 54 ASN HA 4.940 . 4.940 4.828 4.798 4.865 . 0 0 "[ . 1]" 1
759 1 53 ASP HA 1 54 ASN H 3.310 . 3.310 2.949 2.927 2.974 . 0 0 "[ . 1]" 1
760 1 53 ASP QB 1 54 ASN H 4.120 . 4.120 3.830 3.757 4.050 . 0 0 "[ . 1]" 1
761 1 53 ASP H 1 78 LEU MD1 5.490 . 5.490 5.146 4.879 5.364 . 0 0 "[ . 1]" 1
762 1 53 ASP QB 1 78 LEU MD1 3.750 . 3.750 3.206 2.689 3.581 . 0 0 "[ . 1]" 1
763 1 53 ASP HA 1 78 LEU MD1 5.040 . 5.040 2.981 2.688 3.226 . 0 0 "[ . 1]" 1
764 1 53 ASP HA 1 80 LYS HA 4.240 . 4.240 3.332 2.934 3.796 . 0 0 "[ . 1]" 1
765 1 54 ASN H 1 54 ASN HB3 3.880 . 3.880 3.159 3.037 3.534 . 0 0 "[ . 1]" 1
766 1 54 ASN HB3 1 55 TYR H 4.420 . 4.420 3.382 3.171 3.478 . 0 0 "[ . 1]" 1
767 1 54 ASN HA 1 55 TYR H 3.190 . 3.190 2.244 2.182 2.340 . 0 0 "[ . 1]" 1
768 1 54 ASN HA 1 55 TYR QD 4.840 . 4.840 4.760 4.591 4.935 0.095 9 0 "[ . 1]" 1
769 1 54 ASN HB2 1 55 TYR H 4.280 . 4.280 4.246 4.186 4.293 0.013 5 0 "[ . 1]" 1
770 1 54 ASN H 1 55 TYR H 4.850 . 4.850 4.642 4.611 4.677 . 0 0 "[ . 1]" 1
771 1 54 ASN HA 1 55 TYR HB2 4.200 . 4.200 4.157 4.094 4.250 0.050 7 0 "[ . 1]" 1
772 1 54 ASN HB2 1 56 TYR QE 4.090 . 4.090 3.025 2.023 3.643 . 0 0 "[ . 1]" 1
773 1 54 ASN HB3 1 56 TYR QD 4.370 . 4.370 3.185 2.989 3.386 . 0 0 "[ . 1]" 1
774 1 54 ASN HB3 1 56 TYR QE 4.460 . 4.460 1.938 1.766 2.638 0.034 5 0 "[ . 1]" 1
775 1 54 ASN H 1 78 LEU MD1 4.500 . 4.500 4.386 4.132 4.563 0.063 1 0 "[ . 1]" 1
776 1 54 ASN H 1 79 GLU HB2 4.960 . 4.960 5.076 4.997 5.143 0.183 8 0 "[ . 1]" 1
777 1 54 ASN HB3 1 79 GLU H 5.350 . 5.350 4.802 4.691 5.044 . 0 0 "[ . 1]" 1
778 1 54 ASN H 1 79 GLU HB3 4.570 . 4.570 3.607 3.454 3.739 . 0 0 "[ . 1]" 1
779 1 54 ASN H 1 79 GLU H 4.640 . 4.640 4.640 4.515 4.732 0.092 10 0 "[ . 1]" 1
780 1 54 ASN HB2 1 79 GLU HB2 5.420 . 5.420 5.286 4.013 5.496 0.076 3 0 "[ . 1]" 1
781 1 54 ASN HB3 1 79 GLU HB2 4.920 . 4.920 4.921 4.726 5.029 0.109 7 0 "[ . 1]" 1
782 1 55 TYR HA 1 55 TYR QE 5.360 . 5.360 4.054 4.019 4.158 . 0 0 "[ . 1]" 1
783 1 55 TYR H 1 55 TYR HB3 4.090 . 4.090 3.345 3.198 3.520 . 0 0 "[ . 1]" 1
784 1 55 TYR HA 1 55 TYR QD 3.680 . 3.680 1.852 1.763 2.073 0.037 9 0 "[ . 1]" 1
785 1 55 TYR H 1 55 TYR HB2 4.140 . 4.140 2.263 2.237 2.310 . 0 0 "[ . 1]" 1
786 1 55 TYR H 1 55 TYR QD 3.760 . 3.760 3.750 3.664 3.823 0.063 2 0 "[ . 1]" 1
787 1 55 TYR H 1 56 TYR QE 5.400 . 5.400 4.806 4.422 5.391 . 0 0 "[ . 1]" 1
788 1 55 TYR HB2 1 56 TYR H 4.810 . 4.810 4.474 4.287 4.587 . 0 0 "[ . 1]" 1
789 1 55 TYR HA 1 56 TYR H 3.200 . 3.200 2.164 2.142 2.214 . 0 0 "[ . 1]" 1
790 1 55 TYR QD 1 56 TYR H 3.810 . 3.810 3.469 3.043 3.815 0.005 3 0 "[ . 1]" 1
791 1 55 TYR QE 1 76 VAL QG 4.550 . 4.550 3.798 3.268 4.561 0.011 9 0 "[ . 1]" 1
792 1 55 TYR HA 1 76 VAL QG 5.500 . 5.500 4.750 4.585 4.973 . 0 0 "[ . 1]" 1
793 1 55 TYR HB2 1 78 LEU MD1 5.360 . 5.360 4.704 4.587 4.827 . 0 0 "[ . 1]" 1
794 1 55 TYR QE 1 78 LEU HB3 4.910 . 4.910 3.494 3.447 3.543 . 0 0 "[ . 1]" 1
795 1 55 TYR HA 1 78 LEU HA 3.620 . 3.620 2.872 2.708 3.004 . 0 0 "[ . 1]" 1
796 1 55 TYR QE 1 78 LEU H 5.020 . 5.020 5.051 5.011 5.078 0.058 5 0 "[ . 1]" 1
797 1 55 TYR QE 1 78 LEU MD2 5.410 . 5.410 2.007 1.797 2.278 0.003 6 0 "[ . 1]" 1
798 1 55 TYR QE 1 78 LEU HG 4.110 . 4.110 3.980 3.753 4.132 0.022 8 0 "[ . 1]" 1
799 1 55 TYR QD 1 78 LEU MD1 4.470 . 4.470 2.186 1.905 2.851 . 0 0 "[ . 1]" 1
800 1 55 TYR QE 1 78 LEU MD1 3.890 . 3.890 2.331 2.074 2.595 . 0 0 "[ . 1]" 1
801 1 55 TYR QE 1 78 LEU HB2 3.320 . 3.320 1.935 1.862 2.004 . 0 0 "[ . 1]" 1
802 1 55 TYR HA 1 78 LEU MD1 5.070 . 5.070 3.075 2.918 3.238 . 0 0 "[ . 1]" 1
803 1 55 TYR QE 1 78 LEU HA 4.430 . 4.430 3.531 3.385 3.709 . 0 0 "[ . 1]" 1
804 1 55 TYR QD 1 78 LEU HB2 3.960 . 3.960 2.975 2.635 3.170 . 0 0 "[ . 1]" 1
805 1 55 TYR QD 1 79 GLU H 4.250 . 4.250 3.798 3.468 4.139 . 0 0 "[ . 1]" 1
806 1 55 TYR HA 1 79 GLU H 4.260 . 4.260 3.614 3.342 3.852 . 0 0 "[ . 1]" 1
807 1 55 TYR QE 1 89 VAL MG2 3.710 . 3.710 3.242 3.079 3.486 . 0 0 "[ . 1]" 1
808 1 55 TYR QE 1 89 VAL MG1 4.330 . 4.330 3.996 3.666 4.304 . 0 0 "[ . 1]" 1
809 1 56 TYR H 1 56 TYR HB2 3.730 . 3.730 2.411 2.321 2.482 . 0 0 "[ . 1]" 1
810 1 56 TYR HA 1 56 TYR QE 5.470 . 5.470 4.612 4.534 4.746 . 0 0 "[ . 1]" 1
811 1 56 TYR H 1 56 TYR QD 3.640 . 3.640 2.583 2.258 2.812 . 0 0 "[ . 1]" 1
812 1 56 TYR H 1 56 TYR HB3 3.570 . 3.570 3.628 3.568 3.669 0.099 4 0 "[ . 1]" 1
813 1 56 TYR HA 1 57 ASN H 3.080 . 3.080 2.154 2.116 2.192 . 0 0 "[ . 1]" 1
814 1 56 TYR HA 1 57 ASN HB3 4.720 . 4.720 4.565 4.490 4.666 . 0 0 "[ . 1]" 1
815 1 56 TYR HB3 1 58 LEU MD2 5.210 . 5.210 4.212 4.015 4.781 . 0 0 "[ . 1]" 1
816 1 56 TYR QD 1 58 LEU MD2 4.560 . 4.560 3.484 3.041 4.520 . 0 0 "[ . 1]" 1
817 1 56 TYR H 1 76 VAL HA 5.200 . 5.200 5.168 4.946 5.254 0.054 4 0 "[ . 1]" 1
818 1 56 TYR H 1 76 VAL QG 4.610 . 4.610 4.084 3.573 4.334 . 0 0 "[ . 1]" 1
819 1 56 TYR H 1 77 VAL MG1 5.280 . 5.280 5.190 4.770 5.354 0.074 9 0 "[ . 1]" 1
820 1 56 TYR HB3 1 77 VAL HB 4.020 . 4.020 3.970 3.597 4.139 0.119 7 0 "[ . 1]" 1
821 1 56 TYR H 1 77 VAL H 3.850 . 3.850 3.566 3.305 3.796 . 0 0 "[ . 1]" 1
822 1 56 TYR H 1 77 VAL HB 4.460 . 4.460 4.224 4.090 4.323 . 0 0 "[ . 1]" 1
823 1 56 TYR HB3 1 77 VAL H 4.530 . 4.530 4.050 3.762 4.271 . 0 0 "[ . 1]" 1
824 1 56 TYR H 1 78 LEU HA 4.610 . 4.610 3.172 3.096 3.259 . 0 0 "[ . 1]" 1
825 1 56 TYR H 1 78 LEU HB2 4.780 . 4.780 4.828 4.789 4.878 0.098 8 0 "[ . 1]" 1
826 1 56 TYR H 1 79 GLU HB3 5.320 . 5.320 5.205 5.034 5.348 0.028 8 0 "[ . 1]" 1
827 1 56 TYR QD 1 79 GLU HB2 5.140 . 5.140 4.054 3.710 4.309 . 0 0 "[ . 1]" 1
828 1 56 TYR QE 1 79 GLU HB2 3.940 . 3.940 3.598 3.062 4.009 0.069 6 0 "[ . 1]" 1
829 1 56 TYR QE 1 79 GLU H 4.980 . 4.980 4.403 3.628 4.852 . 0 0 "[ . 1]" 1
830 1 56 TYR QE 1 79 GLU QG 4.280 . 4.280 4.196 3.760 4.433 0.153 8 0 "[ . 1]" 1
831 1 56 TYR QD 1 79 GLU H 4.680 . 4.680 3.533 3.153 3.745 . 0 0 "[ . 1]" 1
832 1 56 TYR QE 1 79 GLU HB3 4.200 . 4.200 2.959 2.110 3.514 . 0 0 "[ . 1]" 1
833 1 56 TYR H 1 79 GLU H 4.410 . 4.410 4.198 4.090 4.289 . 0 0 "[ . 1]" 1
834 1 57 ASN H 1 57 ASN HB3 3.930 . 3.930 2.775 2.627 2.949 . 0 0 "[ . 1]" 1
835 1 57 ASN H 1 57 ASN HB2 4.190 . 4.190 3.145 3.013 3.237 . 0 0 "[ . 1]" 1
836 1 57 ASN HA 1 58 LEU H 3.480 . 3.480 2.242 2.225 2.262 . 0 0 "[ . 1]" 1
837 1 57 ASN HB3 1 58 LEU MD1 4.460 . 4.460 4.446 4.297 4.489 0.029 3 0 "[ . 1]" 1
838 1 57 ASN H 1 58 LEU MD1 3.940 . 3.940 2.603 2.261 2.761 . 0 0 "[ . 1]" 1
839 1 57 ASN H 1 58 LEU MD2 5.110 . 5.110 4.686 4.526 5.115 0.005 3 0 "[ . 1]" 1
840 1 57 ASN HA 1 58 LEU MD1 4.610 . 4.610 3.169 3.013 3.469 . 0 0 "[ . 1]" 1
841 1 57 ASN HA 1 76 VAL MG2 4.100 . 4.100 3.900 3.529 4.107 0.007 6 0 "[ . 1]" 1
842 1 57 ASN HB2 1 76 VAL MG2 4.520 . 4.520 4.167 3.870 4.525 0.005 6 0 "[ . 1]" 1
843 1 57 ASN HA 1 76 VAL QG 5.070 . 5.070 3.357 3.096 3.648 . 0 0 "[ . 1]" 1
844 1 58 LEU HB3 1 58 LEU MD1 3.620 . 3.620 3.084 3.028 3.113 . 0 0 "[ . 1]" 1
845 1 58 LEU HA 1 58 LEU MD2 3.570 . 3.570 3.460 3.295 3.562 . 0 0 "[ . 1]" 1
846 1 58 LEU HA 1 59 ILE H 3.000 . 3.000 2.339 2.245 2.390 . 0 0 "[ . 1]" 1
847 1 58 LEU HB3 1 59 ILE H 5.240 . 5.240 2.311 2.203 2.607 . 0 0 "[ . 1]" 1
848 1 58 LEU MD2 1 59 ILE H 3.900 . 3.900 3.751 3.479 3.885 . 0 0 "[ . 1]" 1
849 1 58 LEU HB2 1 59 ILE H 4.490 . 4.490 3.512 3.389 3.895 . 0 0 "[ . 1]" 1
850 1 58 LEU HB3 1 60 LEU MD1 3.490 . 3.490 3.505 3.418 3.528 0.038 2 0 "[ . 1]" 1
851 1 59 ILE HG12 1 59 ILE MG 3.640 . 3.640 3.173 3.112 3.207 . 0 0 "[ . 1]" 1
852 1 59 ILE HA 1 59 ILE MD 3.550 . 3.550 2.490 2.402 2.707 . 0 0 "[ . 1]" 1
853 1 59 ILE HG13 1 59 ILE MG 3.610 . 3.610 2.589 2.451 2.754 . 0 0 "[ . 1]" 1
854 1 59 ILE HA 1 59 ILE MG 3.590 . 3.590 2.277 2.214 2.371 . 0 0 "[ . 1]" 1
855 1 59 ILE H 1 59 ILE HB 3.790 . 3.790 2.838 2.665 3.009 . 0 0 "[ . 1]" 1
856 1 59 ILE H 1 59 ILE MD 5.500 . 5.500 3.786 3.211 4.145 . 0 0 "[ . 1]" 1
857 1 59 ILE H 1 59 ILE HG12 4.760 . 4.760 2.515 2.214 2.790 . 0 0 "[ . 1]" 1
858 1 59 ILE H 1 59 ILE HG13 3.760 . 3.760 3.763 3.528 3.822 0.062 2 0 "[ . 1]" 1
859 1 59 ILE H 1 59 ILE MG 4.470 . 4.470 3.913 3.867 3.947 . 0 0 "[ . 1]" 1
860 1 59 ILE MG 1 60 LEU HA 5.090 . 5.090 3.861 3.643 4.124 . 0 0 "[ . 1]" 1
861 1 59 ILE H 1 60 LEU H 4.960 . 4.960 4.339 4.240 4.414 . 0 0 "[ . 1]" 1
862 1 59 ILE HB 1 60 LEU H 4.750 . 4.750 3.995 3.744 4.227 . 0 0 "[ . 1]" 1
863 1 59 ILE MG 1 60 LEU H 3.950 . 3.950 2.653 2.425 2.877 . 0 0 "[ . 1]" 1
864 1 59 ILE MD 1 60 LEU H 4.360 . 4.360 4.186 4.017 4.364 0.004 1 0 "[ . 1]" 1
865 1 59 ILE HA 1 60 LEU H 3.080 . 3.080 2.222 2.202 2.257 . 0 0 "[ . 1]" 1
866 1 59 ILE H 1 60 LEU MD1 5.260 . 5.260 3.829 3.641 4.015 . 0 0 "[ . 1]" 1
867 1 59 ILE MG 1 72 PHE QE 5.180 . 5.180 4.267 3.346 5.207 0.027 9 0 "[ . 1]" 1
868 1 59 ILE MG 1 72 PHE QD 4.090 . 4.090 2.734 1.796 3.660 0.004 3 0 "[ . 1]" 1
869 1 59 ILE MG 1 72 PHE QB 4.660 . 4.660 2.107 1.931 2.381 . 0 0 "[ . 1]" 1
870 1 59 ILE MG 1 72 PHE HA 4.810 . 4.810 3.270 3.132 3.367 . 0 0 "[ . 1]" 1
871 1 59 ILE MG 1 72 PHE H 4.980 . 4.980 4.962 4.804 5.043 0.063 1 0 "[ . 1]" 1
872 1 59 ILE MG 1 73 TYR H 4.910 . 4.910 2.385 2.240 2.617 . 0 0 "[ . 1]" 1
873 1 59 ILE MG 1 73 TYR QD 5.500 . 5.500 4.571 4.443 4.704 . 0 0 "[ . 1]" 1
874 1 59 ILE HA 1 73 TYR H 4.810 . 4.810 3.744 3.647 3.978 . 0 0 "[ . 1]" 1
875 1 59 ILE MG 1 73 TYR HA 5.090 . 5.090 3.784 3.644 3.958 . 0 0 "[ . 1]" 1
876 1 59 ILE HA 1 74 ASN HA 3.980 . 3.980 2.532 2.435 2.649 . 0 0 "[ . 1]" 1
877 1 59 ILE HA 1 74 ASN H 4.500 . 4.500 4.656 4.623 4.716 0.216 5 0 "[ . 1]" 1
878 1 59 ILE MD 1 74 ASN HA 3.810 . 3.810 2.127 1.799 2.495 0.001 5 0 "[ . 1]" 1
879 1 59 ILE MG 1 74 ASN HA 5.050 . 5.050 3.172 2.755 3.611 . 0 0 "[ . 1]" 1
880 1 59 ILE HG13 1 74 ASN HA 5.120 . 5.120 4.839 4.584 5.128 0.008 1 0 "[ . 1]" 1
881 1 59 ILE MD 1 75 VAL H 5.390 . 5.390 3.728 3.350 4.228 . 0 0 "[ . 1]" 1
882 1 59 ILE MG 1 94 LEU HG 3.250 . 3.250 2.568 2.192 2.860 . 0 0 "[ . 1]" 1
883 1 59 ILE MD 1 94 LEU MD2 4.110 . 4.110 2.968 2.467 3.518 . 0 0 "[ . 1]" 1
884 1 59 ILE MG 1 94 LEU HB2 4.200 . 4.200 3.078 2.884 3.289 . 0 0 "[ . 1]" 1
885 1 60 LEU HB2 1 60 LEU MD2 3.560 . 3.560 2.621 2.529 2.660 . 0 0 "[ . 1]" 1
886 1 60 LEU H 1 60 LEU HG 3.810 . 3.810 3.255 3.140 3.340 . 0 0 "[ . 1]" 1
887 1 60 LEU H 1 60 LEU MD1 3.490 . 3.490 2.001 1.950 2.054 . 0 0 "[ . 1]" 1
888 1 60 LEU HB3 1 60 LEU MD2 3.540 . 3.540 2.040 1.989 2.134 . 0 0 "[ . 1]" 1
889 1 60 LEU H 1 60 LEU HB3 3.810 . 3.810 3.870 3.841 3.914 0.104 6 0 "[ . 1]" 1
890 1 60 LEU HB2 1 60 LEU MD1 3.580 . 3.580 2.221 2.139 2.276 . 0 0 "[ . 1]" 1
891 1 60 LEU HA 1 60 LEU MD1 4.630 . 4.630 3.534 3.468 3.586 . 0 0 "[ . 1]" 1
892 1 60 LEU H 1 60 LEU MD2 4.400 . 4.400 4.263 4.183 4.345 . 0 0 "[ . 1]" 1
893 1 60 LEU HA 1 60 LEU MD2 3.750 . 3.750 3.691 3.644 3.760 0.010 10 0 "[ . 1]" 1
894 1 60 LEU HG 1 61 SER H 4.860 . 4.860 4.636 4.586 4.673 . 0 0 "[ . 1]" 1
895 1 60 LEU HA 1 61 SER QB 5.150 . 5.150 4.506 4.260 4.629 . 0 0 "[ . 1]" 1
896 1 60 LEU HA 1 61 SER H 2.970 . 2.970 2.449 2.399 2.475 . 0 0 "[ . 1]" 1
897 1 60 LEU HB3 1 61 SER H 3.900 . 3.900 2.484 2.442 2.556 . 0 0 "[ . 1]" 1
898 1 60 LEU MD2 1 61 SER H 4.190 . 4.190 4.196 4.131 4.234 0.044 7 0 "[ . 1]" 1
899 1 60 LEU H 1 61 SER H 4.440 . 4.440 4.463 4.445 4.476 0.036 7 0 "[ . 1]" 1
900 1 60 LEU HB2 1 61 SER H 3.910 . 3.910 3.112 3.062 3.182 . 0 0 "[ . 1]" 1
901 1 60 LEU HB2 1 73 TYR QD 4.760 . 4.760 4.460 4.329 4.828 0.068 9 0 "[ . 1]" 1
902 1 60 LEU HB2 1 73 TYR H 4.970 . 4.970 4.619 4.374 4.840 . 0 0 "[ . 1]" 1
903 1 60 LEU H 1 73 TYR HB3 4.830 . 4.830 4.758 4.554 4.851 0.021 3 0 "[ . 1]" 1
904 1 60 LEU MD1 1 73 TYR HB3 4.430 . 4.430 4.371 4.228 4.482 0.052 2 0 "[ . 1]" 1
905 1 60 LEU MD1 1 73 TYR HB2 4.100 . 4.100 3.233 3.106 3.331 . 0 0 "[ . 1]" 1
906 1 60 LEU MD1 1 73 TYR QD 4.500 . 4.500 4.521 4.478 4.551 0.051 7 0 "[ . 1]" 1
907 1 60 LEU MD1 1 73 TYR H 5.290 . 5.290 3.993 3.808 4.204 . 0 0 "[ . 1]" 1
908 1 60 LEU H 1 73 TYR H 3.780 . 3.780 2.604 2.458 2.804 . 0 0 "[ . 1]" 1
909 1 60 LEU H 1 74 ASN HA 4.790 . 4.790 4.104 3.975 4.234 . 0 0 "[ . 1]" 1
910 1 60 LEU MD1 1 75 VAL H 4.550 . 4.550 3.609 3.405 3.794 . 0 0 "[ . 1]" 1
911 1 61 SER H 1 61 SER QB 3.170 . 3.170 2.475 2.260 3.003 . 0 0 "[ . 1]" 1
912 1 61 SER HA 1 62 ALA MB 4.750 . 4.750 3.853 3.807 3.938 . 0 0 "[ . 1]" 1
913 1 61 SER QB 1 62 ALA MB 4.990 . 4.990 4.443 4.372 4.547 . 0 0 "[ . 1]" 1
914 1 61 SER HA 1 62 ALA H 3.090 . 3.090 2.207 2.173 2.273 . 0 0 "[ . 1]" 1
915 1 61 SER H 1 62 ALA H 5.150 . 5.150 4.530 4.487 4.570 . 0 0 "[ . 1]" 1
916 1 61 SER QB 1 70 SER HB3 2.400 . 2.400 2.454 2.428 2.479 0.079 9 0 "[ . 1]" 1
917 1 61 SER HA 1 70 SER HB2 4.590 . 4.590 4.565 4.427 4.655 0.065 5 0 "[ . 1]" 1
918 1 61 SER HA 1 71 LYS H 4.940 . 4.940 4.340 4.274 4.416 . 0 0 "[ . 1]" 1
919 1 61 SER HA 1 72 PHE QD 5.150 . 5.150 3.597 2.817 4.721 . 0 0 "[ . 1]" 1
920 1 61 SER QB 1 72 PHE QD 5.500 . 5.500 4.363 3.020 5.511 0.011 6 0 "[ . 1]" 1
921 1 61 SER HA 1 72 PHE QE 5.460 . 5.460 4.854 4.346 5.496 0.036 7 0 "[ . 1]" 1
922 1 61 SER HA 1 73 TYR QD 5.210 . 5.210 3.375 2.969 5.078 . 0 0 "[ . 1]" 1
923 1 62 ALA HA 1 63 LYS QG 4.420 . 4.420 3.323 3.160 3.421 . 0 0 "[ . 1]" 1
924 1 62 ALA HA 1 63 LYS HB3 5.240 . 5.240 4.814 4.692 5.037 . 0 0 "[ . 1]" 1
925 1 62 ALA HA 1 63 LYS H 3.040 . 3.040 2.205 2.174 2.225 . 0 0 "[ . 1]" 1
926 1 62 ALA MB 1 63 LYS HA 4.660 . 4.660 3.886 3.834 3.954 . 0 0 "[ . 1]" 1
927 1 62 ALA H 1 63 LYS H 4.860 . 4.860 4.329 4.295 4.345 . 0 0 "[ . 1]" 1
928 1 62 ALA MB 1 63 LYS H 3.470 . 3.470 2.850 2.779 2.971 . 0 0 "[ . 1]" 1
929 1 62 ALA H 1 70 SER HA 4.300 . 4.300 3.882 3.696 4.094 . 0 0 "[ . 1]" 1
930 1 62 ALA H 1 70 SER HB2 4.310 . 4.310 4.275 3.985 4.398 0.088 6 0 "[ . 1]" 1
931 1 62 ALA HA 1 70 SER HA 4.800 . 4.800 4.818 4.732 4.883 0.083 5 0 "[ . 1]" 1
932 1 62 ALA H 1 70 SER HB3 3.590 . 3.590 3.136 2.791 3.630 0.040 4 0 "[ . 1]" 1
933 1 62 ALA H 1 71 LYS H 3.650 . 3.650 2.813 2.724 2.970 . 0 0 "[ . 1]" 1
934 1 62 ALA HA 1 73 TYR QE 5.300 . 5.300 4.060 3.905 4.414 . 0 0 "[ . 1]" 1
935 1 62 ALA H 1 73 TYR QD 4.380 . 4.380 3.262 3.027 4.491 0.111 9 0 "[ . 1]" 1
936 1 62 ALA H 1 73 TYR QE 4.070 . 4.070 2.339 2.040 3.975 . 0 0 "[ . 1]" 1
937 1 62 ALA MB 1 73 TYR QD 3.880 . 3.880 2.788 2.557 2.927 . 0 0 "[ . 1]" 1
938 1 62 ALA MB 1 73 TYR QE 3.300 . 3.300 2.261 1.743 2.400 0.057 9 0 "[ . 1]" 1
939 1 63 LYS HB3 1 63 LYS QE 5.060 . 5.060 4.101 4.043 4.185 . 0 0 "[ . 1]" 1
940 1 63 LYS H 1 63 LYS HD2 4.080 . 4.080 3.434 2.983 3.666 . 0 0 "[ . 1]" 1
941 1 63 LYS H 1 63 LYS QG 3.660 . 3.660 2.364 2.191 2.527 . 0 0 "[ . 1]" 1
942 1 63 LYS HA 1 63 LYS HD2 3.970 . 3.970 3.879 3.806 3.979 0.009 4 0 "[ . 1]" 1
943 1 63 LYS HB2 1 63 LYS HD2 2.720 . 2.720 2.268 2.207 2.388 . 0 0 "[ . 1]" 1
944 1 63 LYS HA 1 63 LYS HD3 5.340 . 5.340 5.114 4.990 5.187 . 0 0 "[ . 1]" 1
945 1 63 LYS HB3 1 64 HIS H 4.130 . 4.130 3.483 3.216 3.601 . 0 0 "[ . 1]" 1
946 1 63 LYS HA 1 64 HIS H 2.920 . 2.920 2.427 2.411 2.436 . 0 0 "[ . 1]" 1
947 1 63 LYS HD2 1 64 HIS H 3.900 . 3.900 3.449 3.210 3.857 . 0 0 "[ . 1]" 1
948 1 63 LYS HB2 1 64 HIS H 3.690 . 3.690 2.379 2.329 2.410 . 0 0 "[ . 1]" 1
949 1 63 LYS HB2 1 65 SER H 3.660 . 3.660 2.321 2.185 2.393 . 0 0 "[ . 1]" 1
950 1 63 LYS HA 1 65 SER H 4.200 . 4.200 4.116 4.102 4.150 . 0 0 "[ . 1]" 1
951 1 63 LYS HD3 1 65 SER H 4.330 . 4.330 3.506 3.269 4.113 . 0 0 "[ . 1]" 1
952 1 63 LYS H 1 65 SER H 5.040 . 5.040 5.091 5.054 5.136 0.096 10 0 "[ . 1]" 1
953 1 63 LYS HB3 1 65 SER H 4.400 . 4.400 4.056 3.831 4.140 . 0 0 "[ . 1]" 1
954 1 63 LYS QG 1 65 SER H 4.460 . 4.460 3.969 3.897 4.146 . 0 0 "[ . 1]" 1
955 1 63 LYS HD3 1 66 PRO HA 3.870 . 3.870 2.922 2.391 3.501 . 0 0 "[ . 1]" 1
956 1 63 LYS QG 1 69 PHE HA 4.590 . 4.590 4.693 4.652 4.721 0.131 8 0 "[ . 1]" 1
957 1 63 LYS QG 1 70 SER HB3 4.770 . 4.770 3.051 2.771 3.296 . 0 0 "[ . 1]" 1
958 1 63 LYS QG 1 70 SER HB2 5.220 . 5.220 4.162 3.857 4.579 . 0 0 "[ . 1]" 1
959 1 63 LYS HA 1 70 SER HA 4.570 . 4.570 3.524 3.049 4.092 . 0 0 "[ . 1]" 1
960 1 63 LYS HB3 1 70 SER HA 3.790 . 3.790 2.097 1.785 2.729 0.015 3 0 "[ . 1]" 1
961 1 63 LYS HB3 1 71 LYS H 5.070 . 5.070 3.733 3.518 3.914 . 0 0 "[ . 1]" 1
962 1 63 LYS HA 1 71 LYS H 4.930 . 4.930 3.938 3.582 4.138 . 0 0 "[ . 1]" 1
963 1 64 HIS H 1 64 HIS HB3 3.540 . 3.540 3.610 3.547 3.655 0.115 5 0 "[ . 1]" 1
964 1 64 HIS HA 1 64 HIS HD2 4.250 . 4.250 2.953 2.304 3.828 . 0 0 "[ . 1]" 1
965 1 64 HIS H 1 64 HIS HB2 3.430 . 3.430 2.459 2.283 2.858 . 0 0 "[ . 1]" 1
966 1 64 HIS HB3 1 64 HIS HD2 3.950 . 3.950 3.245 2.697 3.939 . 0 0 "[ . 1]" 1
967 1 64 HIS H 1 65 SER H 2.980 . 2.980 2.310 2.261 2.344 . 0 0 "[ . 1]" 1
968 1 64 HIS HB2 1 65 SER H 3.640 . 3.640 3.424 3.188 3.585 . 0 0 "[ . 1]" 1
969 1 65 SER H 1 65 SER HB3 3.760 . 3.760 3.341 2.845 3.790 0.030 9 0 "[ . 1]" 1
970 1 65 SER H 1 65 SER HB2 3.860 . 3.860 3.831 3.717 3.907 0.047 4 0 "[ . 1]" 1
971 1 65 SER HA 1 66 PRO QD 3.010 . 3.010 2.025 1.827 2.128 . 0 0 "[ . 1]" 1
972 1 65 SER H 1 66 PRO HA 5.190 . 5.190 4.988 4.926 5.038 . 0 0 "[ . 1]" 1
973 1 65 SER HB2 1 66 PRO QD 2.400 . 2.400 2.447 2.293 2.549 0.149 9 0 "[ . 1]" 1
974 1 65 SER HB2 1 67 HIS H 3.710 . 3.710 3.004 2.455 3.723 0.013 4 0 "[ . 1]" 1
975 1 65 SER HB2 1 68 GLU HG2 5.480 . 5.480 5.511 5.356 5.585 0.105 9 0 "[ . 1]" 1
976 1 65 SER HB2 1 68 GLU HB2 5.290 . 5.290 3.631 3.216 4.099 . 0 0 "[ . 1]" 1
977 1 65 SER HB2 1 68 GLU HG3 4.980 . 4.980 4.409 4.012 4.999 0.019 7 0 "[ . 1]" 1
978 1 66 PRO HB2 1 67 HIS H 3.940 . 3.940 3.302 2.706 3.501 . 0 0 "[ . 1]" 1
979 1 66 PRO HB3 1 67 HIS H 4.220 . 4.220 4.177 4.031 4.267 0.047 7 0 "[ . 1]" 1
980 1 66 PRO QD 1 67 HIS H 4.030 . 4.030 2.719 2.454 2.790 . 0 0 "[ . 1]" 1
981 1 66 PRO HB3 1 67 HIS HD2 5.290 . 5.290 4.074 3.737 4.380 . 0 0 "[ . 1]" 1
982 1 66 PRO QG 1 67 HIS H 5.200 . 5.200 2.571 2.330 3.626 . 0 0 "[ . 1]" 1
983 1 66 PRO HB2 1 67 HIS HA 4.750 . 4.750 4.144 3.929 4.210 . 0 0 "[ . 1]" 1
984 1 66 PRO HG3 1 67 HIS HD2 4.690 . 4.690 3.891 3.502 4.696 0.006 9 0 "[ . 1]" 1
985 1 66 PRO HA 1 68 GLU H 4.700 . 4.700 3.739 3.642 3.853 . 0 0 "[ . 1]" 1
986 1 67 HIS H 1 67 HIS HB3 3.680 . 3.680 3.591 3.539 3.629 . 0 0 "[ . 1]" 1
987 1 67 HIS H 1 67 HIS HD2 3.720 . 3.720 2.813 2.487 3.040 . 0 0 "[ . 1]" 1
988 1 67 HIS H 1 67 HIS HB2 3.330 . 3.330 2.348 2.257 2.476 . 0 0 "[ . 1]" 1
989 1 67 HIS HA 1 68 GLU H 3.540 . 3.540 3.188 3.136 3.289 . 0 0 "[ . 1]" 1
990 1 67 HIS HA 1 68 GLU HG3 5.150 . 5.150 5.155 5.031 5.218 0.068 1 0 "[ . 1]" 1
991 1 67 HIS HB3 1 68 GLU HG3 5.470 . 5.470 4.303 4.092 4.505 . 0 0 "[ . 1]" 1
992 1 67 HIS H 1 68 GLU H 3.010 . 3.010 2.662 2.588 2.764 . 0 0 "[ . 1]" 1
993 1 67 HIS HB2 1 68 GLU H 4.400 . 4.400 3.865 3.677 3.942 . 0 0 "[ . 1]" 1
994 1 67 HIS HB3 1 68 GLU H 4.710 . 4.710 4.327 4.266 4.374 . 0 0 "[ . 1]" 1
995 1 67 HIS H 1 68 GLU HG3 5.050 . 5.050 4.705 4.384 5.093 0.043 3 0 "[ . 1]" 1
996 1 68 GLU H 1 68 GLU HG3 4.280 . 4.280 3.603 3.409 3.728 . 0 0 "[ . 1]" 1
997 1 68 GLU H 1 68 GLU HB3 3.850 . 3.850 3.633 3.591 3.743 . 0 0 "[ . 1]" 1
998 1 68 GLU HA 1 68 GLU HG3 3.990 . 3.990 2.441 2.204 2.649 . 0 0 "[ . 1]" 1
999 1 68 GLU H 1 68 GLU HB2 3.340 . 3.340 2.499 2.397 2.600 . 0 0 "[ . 1]" 1
1000 1 68 GLU H 1 68 GLU HG2 4.620 . 4.620 4.577 4.485 4.668 0.048 7 0 "[ . 1]" 1
1001 1 68 GLU HA 1 68 GLU HG2 4.070 . 4.070 2.738 2.359 3.289 . 0 0 "[ . 1]" 1
1002 1 68 GLU HG2 1 69 PHE H 4.770 . 4.770 3.395 3.048 3.954 . 0 0 "[ . 1]" 1
1003 1 68 GLU HB2 1 69 PHE QD 5.500 . 5.500 5.569 5.518 5.613 0.113 10 0 "[ . 1]" 1
1004 1 68 GLU HA 1 69 PHE H 2.740 . 2.740 2.400 2.384 2.415 . 0 0 "[ . 1]" 1
1005 1 68 GLU HG3 1 69 PHE H 4.720 . 4.720 4.139 3.889 4.255 . 0 0 "[ . 1]" 1
1006 1 68 GLU HG3 1 69 PHE QD 5.320 . 5.320 5.305 5.045 5.387 0.067 8 0 "[ . 1]" 1
1007 1 68 GLU HB3 1 69 PHE H 3.500 . 3.500 2.342 2.280 2.387 . 0 0 "[ . 1]" 1
1008 1 68 GLU HG2 1 69 PHE QD 5.500 . 5.500 4.723 4.162 5.465 . 0 0 "[ . 1]" 1
1009 1 68 GLU HB2 1 69 PHE H 3.780 . 3.780 3.742 3.638 3.795 0.015 1 0 "[ . 1]" 1
1010 1 68 GLU HA 1 69 PHE HB2 5.290 . 5.290 4.572 4.531 4.621 . 0 0 "[ . 1]" 1
1011 1 69 PHE H 1 69 PHE HB2 3.240 . 3.240 2.199 2.173 2.231 . 0 0 "[ . 1]" 1
1012 1 69 PHE H 1 69 PHE HB3 3.970 . 3.970 3.498 3.481 3.517 . 0 0 "[ . 1]" 1
1013 1 69 PHE HA 1 69 PHE QE 4.750 . 4.750 4.483 4.433 4.537 . 0 0 "[ . 1]" 1
1014 1 69 PHE QE 1 70 SER H 5.400 . 5.400 5.372 5.248 5.480 0.080 8 0 "[ . 1]" 1
1015 1 69 PHE HB3 1 70 SER H 3.680 . 3.680 2.384 1.927 2.704 . 0 0 "[ . 1]" 1
1016 1 69 PHE HB2 1 70 SER H 3.940 . 3.940 3.773 3.416 3.986 0.046 8 0 "[ . 1]" 1
1017 1 69 PHE HA 1 70 SER H 2.880 . 2.880 2.366 2.226 2.591 . 0 0 "[ . 1]" 1
1018 1 69 PHE QD 1 70 SER H 4.480 . 4.480 3.533 3.312 3.685 . 0 0 "[ . 1]" 1
1019 1 69 PHE HB2 1 71 LYS QG 5.080 . 5.080 4.695 4.244 4.997 . 0 0 "[ . 1]" 1
1020 1 69 PHE QE 1 71 LYS QD 5.320 . 5.320 5.443 5.410 5.488 0.168 5 0 "[ . 1]" 1
1021 1 69 PHE HB2 1 71 LYS QD 4.930 . 4.930 3.836 3.030 4.231 . 0 0 "[ . 1]" 1
1022 1 69 PHE QD 1 71 LYS QD 4.800 . 4.800 3.603 3.501 3.658 . 0 0 "[ . 1]" 1
1023 1 69 PHE HB3 1 71 LYS QD 4.110 . 4.110 3.005 2.592 3.331 . 0 0 "[ . 1]" 1
1024 1 70 SER H 1 70 SER HB2 3.660 . 3.660 2.897 2.728 3.191 . 0 0 "[ . 1]" 1
1025 1 70 SER H 1 70 SER HB3 3.980 . 3.980 3.815 3.769 3.870 . 0 0 "[ . 1]" 1
1026 1 70 SER HA 1 71 LYS H 3.000 . 3.000 2.191 2.152 2.257 . 0 0 "[ . 1]" 1
1027 1 70 SER H 1 71 LYS QD 4.540 . 4.540 3.886 3.089 4.204 . 0 0 "[ . 1]" 1
1028 1 70 SER H 1 71 LYS HD3 4.850 . 4.850 4.441 3.176 4.872 0.022 10 0 "[ . 1]" 1
1029 1 70 SER HB2 1 71 LYS H 3.860 . 3.860 3.896 3.857 3.938 0.078 2 0 "[ . 1]" 1
1030 1 70 SER HB3 1 71 LYS H 3.820 . 3.820 3.288 2.983 3.657 . 0 0 "[ . 1]" 1
1031 1 70 SER H 1 71 LYS QG 4.940 . 4.940 4.835 4.680 5.038 0.098 6 0 "[ . 1]" 1
1032 1 71 LYS HA 1 71 LYS QD 4.990 . 4.990 1.989 1.766 2.829 0.034 7 0 "[ . 1]" 1
1033 1 71 LYS H 1 71 LYS HB2 3.990 . 3.990 2.512 2.341 2.624 . 0 0 "[ . 1]" 1
1034 1 71 LYS HE2 1 71 LYS QG 3.590 . 3.590 2.526 2.185 3.117 . 0 0 "[ . 1]" 1
1035 1 71 LYS HB2 1 71 LYS HE3 5.500 . 5.500 4.028 3.779 4.822 . 0 0 "[ . 1]" 1
1036 1 71 LYS H 1 71 LYS QG 5.040 . 5.040 3.053 2.746 3.848 . 0 0 "[ . 1]" 1
1037 1 71 LYS HB3 1 72 PHE H 4.350 . 4.350 2.364 2.259 2.639 . 0 0 "[ . 1]" 1
1038 1 71 LYS QD 1 72 PHE QD 5.500 . 5.500 5.010 4.168 5.497 . 0 0 "[ . 1]" 1
1039 1 71 LYS QG 1 72 PHE H 5.360 . 5.360 4.020 3.269 4.344 . 0 0 "[ . 1]" 1
1040 1 71 LYS HB2 1 72 PHE H 4.460 . 4.460 3.612 3.474 3.830 . 0 0 "[ . 1]" 1
1041 1 71 LYS HA 1 72 PHE H 3.330 . 3.330 2.429 2.331 2.479 . 0 0 "[ . 1]" 1
1042 1 71 LYS H 1 73 TYR QE 4.820 . 4.820 2.898 2.621 3.750 . 0 0 "[ . 1]" 1
1043 1 71 LYS HB2 1 73 TYR QE 3.850 . 3.850 2.877 1.931 3.149 . 0 0 "[ . 1]" 1
1044 1 71 LYS HB3 1 73 TYR QD 4.950 . 4.950 4.813 3.877 5.010 0.060 10 0 "[ . 1]" 1
1045 1 71 LYS HB3 1 95 PHE H 4.870 . 4.870 4.752 4.445 4.895 0.025 10 0 "[ . 1]" 1
1046 1 71 LYS HB2 1 95 PHE QD 5.280 . 5.280 3.521 3.109 3.883 . 0 0 "[ . 1]" 1
1047 1 71 LYS QD 1 95 PHE QD 5.320 . 5.320 4.381 3.773 4.940 . 0 0 "[ . 1]" 1
1048 1 71 LYS HE3 1 95 PHE QD 5.240 . 5.240 3.972 1.994 5.257 0.017 6 0 "[ . 1]" 1
1049 1 71 LYS HA 1 95 PHE HB2 5.070 . 5.070 4.945 4.722 5.109 0.039 5 0 "[ . 1]" 1
1050 1 71 LYS QG 1 95 PHE HB3 5.500 . 5.500 3.013 2.461 3.615 . 0 0 "[ . 1]" 1
1051 1 71 LYS HB3 1 95 PHE QD 4.190 . 4.190 2.929 2.622 3.249 . 0 0 "[ . 1]" 1
1052 1 72 PHE HA 1 72 PHE QE 4.950 . 4.950 4.512 4.265 4.859 . 0 0 "[ . 1]" 1
1053 1 72 PHE HA 1 72 PHE QD 3.840 . 3.840 2.524 1.997 3.164 . 0 0 "[ . 1]" 1
1054 1 72 PHE H 1 72 PHE QB 3.770 . 3.770 2.423 2.159 2.791 . 0 0 "[ . 1]" 1
1055 1 72 PHE H 1 72 PHE QD 4.220 . 4.220 2.825 2.000 3.373 . 0 0 "[ . 1]" 1
1056 1 72 PHE QD 1 73 TYR H 4.510 . 4.510 4.025 3.699 4.464 . 0 0 "[ . 1]" 1
1057 1 72 PHE HA 1 73 TYR QD 3.930 . 3.930 3.010 2.786 3.819 . 0 0 "[ . 1]" 1
1058 1 72 PHE HA 1 73 TYR HB2 5.500 . 5.500 4.580 4.501 4.652 . 0 0 "[ . 1]" 1
1059 1 72 PHE HA 1 73 TYR QE 4.620 . 4.620 4.255 4.136 4.744 0.124 9 0 "[ . 1]" 1
1060 1 72 PHE QB 1 73 TYR H 3.570 . 3.570 2.759 2.625 2.937 . 0 0 "[ . 1]" 1
1061 1 72 PHE HA 1 73 TYR H 2.870 . 2.870 2.250 2.158 2.296 . 0 0 "[ . 1]" 1
1062 1 72 PHE QD 1 94 LEU HB2 4.420 . 4.420 4.464 4.431 4.496 0.076 2 0 "[ . 1]" 1
1063 1 72 PHE QB 1 94 LEU HB2 4.250 . 4.250 2.514 2.303 2.765 . 0 0 "[ . 1]" 1
1064 1 72 PHE QB 1 94 LEU HB3 4.140 . 4.140 2.256 1.908 2.888 . 0 0 "[ . 1]" 1
1065 1 72 PHE QB 1 94 LEU HG 3.980 . 3.980 3.433 2.938 4.008 0.028 9 0 "[ . 1]" 1
1066 1 72 PHE QD 1 94 LEU HB3 5.240 . 5.240 3.808 2.919 4.731 . 0 0 "[ . 1]" 1
1067 1 72 PHE QD 1 94 LEU MD1 5.500 . 5.500 4.039 3.156 4.473 . 0 0 "[ . 1]" 1
1068 1 72 PHE H 1 95 PHE HB3 5.090 . 5.090 3.017 2.747 3.407 . 0 0 "[ . 1]" 1
1069 1 72 PHE H 1 95 PHE H 5.310 . 5.310 5.309 5.179 5.356 0.046 10 0 "[ . 1]" 1
1070 1 72 PHE H 1 95 PHE QD 4.540 . 4.540 4.024 3.519 4.537 . 0 0 "[ . 1]" 1
1071 1 73 TYR H 1 73 TYR HB3 3.760 . 3.760 3.871 3.799 3.897 0.137 4 0 "[ . 1]" 1
1072 1 73 TYR H 1 73 TYR QE 4.920 . 4.920 4.846 4.773 4.927 0.007 8 0 "[ . 1]" 1
1073 1 73 TYR H 1 73 TYR QD 3.650 . 3.650 2.769 2.639 3.253 . 0 0 "[ . 1]" 1
1074 1 73 TYR H 1 73 TYR HB2 4.060 . 4.060 2.841 2.736 2.902 . 0 0 "[ . 1]" 1
1075 1 73 TYR HB2 1 74 ASN H 3.960 . 3.960 3.959 3.910 3.997 0.037 8 0 "[ . 1]" 1
1076 1 73 TYR HA 1 74 ASN HB3 5.150 . 5.150 4.684 4.331 4.944 . 0 0 "[ . 1]" 1
1077 1 73 TYR HA 1 74 ASN H 3.380 . 3.380 2.215 2.178 2.247 . 0 0 "[ . 1]" 1
1078 1 73 TYR QD 1 74 ASN H 4.940 . 4.940 4.363 4.214 4.464 . 0 0 "[ . 1]" 1
1079 1 73 TYR HB3 1 74 ASN HA 5.240 . 5.240 4.738 4.669 4.809 . 0 0 "[ . 1]" 1
1080 1 73 TYR QD 1 91 PHE QE 2.650 . 2.650 2.052 1.802 2.647 . 0 0 "[ . 1]" 1
1081 1 73 TYR HB2 1 91 PHE QE 3.970 . 3.970 3.616 2.916 4.017 0.047 4 0 "[ . 1]" 1
1082 1 73 TYR HA 1 91 PHE QE 5.120 . 5.120 4.587 4.142 4.891 . 0 0 "[ . 1]" 1
1083 1 73 TYR HB3 1 91 PHE QE 4.240 . 4.240 2.581 1.955 3.149 . 0 0 "[ . 1]" 1
1084 1 73 TYR HB2 1 92 VAL H 5.500 . 5.500 5.570 5.523 5.631 0.131 7 0 "[ . 1]" 1
1085 1 73 TYR HA 1 93 PRO HA 3.460 . 3.460 2.593 2.410 2.825 . 0 0 "[ . 1]" 1
1086 1 73 TYR QD 1 93 PRO HB3 4.660 . 4.660 3.150 2.614 4.164 . 0 0 "[ . 1]" 1
1087 1 73 TYR QD 1 93 PRO HA 3.600 . 3.600 2.283 1.968 2.850 . 0 0 "[ . 1]" 1
1088 1 73 TYR HA 1 94 LEU HB3 4.340 . 4.340 4.050 3.709 4.352 0.012 9 0 "[ . 1]" 1
1089 1 73 TYR HA 1 94 LEU H 3.550 . 3.550 2.014 1.904 2.177 . 0 0 "[ . 1]" 1
1090 1 73 TYR QD 1 94 LEU MD2 5.500 . 5.500 5.159 4.857 5.466 . 0 0 "[ . 1]" 1
1091 1 73 TYR QD 1 94 LEU H 5.020 . 5.020 3.536 2.316 3.936 . 0 0 "[ . 1]" 1
1092 1 73 TYR H 1 94 LEU HG 4.780 . 4.780 4.433 3.921 4.791 0.011 1 0 "[ . 1]" 1
1093 1 73 TYR HA 1 94 LEU HA 4.110 . 4.110 4.186 4.147 4.271 0.161 9 0 "[ . 1]" 1
1094 1 74 ASN H 1 74 ASN HB3 3.860 . 3.860 2.643 2.404 2.867 . 0 0 "[ . 1]" 1
1095 1 74 ASN H 1 74 ASN HB2 3.490 . 3.490 2.886 2.576 3.188 . 0 0 "[ . 1]" 1
1096 1 74 ASN HA 1 75 VAL H 3.060 . 3.060 2.147 2.118 2.167 . 0 0 "[ . 1]" 1
1097 1 74 ASN HB2 1 75 VAL H 4.780 . 4.780 4.328 4.197 4.513 . 0 0 "[ . 1]" 1
1098 1 74 ASN HA 1 75 VAL MG2 3.840 . 3.840 3.602 3.244 3.839 . 0 0 "[ . 1]" 1
1099 1 74 ASN H 1 92 VAL HB 3.590 . 3.590 3.397 3.296 3.576 . 0 0 "[ . 1]" 1
1100 1 74 ASN H 1 92 VAL H 4.060 . 4.060 3.757 3.531 3.987 . 0 0 "[ . 1]" 1
1101 1 74 ASN HB3 1 92 VAL HB 3.890 . 3.890 2.793 2.652 3.081 . 0 0 "[ . 1]" 1
1102 1 74 ASN HA 1 92 VAL HB 5.000 . 5.000 5.046 4.981 5.102 0.102 3 0 "[ . 1]" 1
1103 1 74 ASN HB3 1 92 VAL QG 3.800 . 3.800 3.469 3.394 3.591 . 0 0 "[ . 1]" 1
1104 1 74 ASN H 1 93 PRO HA 4.220 . 4.220 3.553 3.312 3.729 . 0 0 "[ . 1]" 1
1105 1 74 ASN HB3 1 94 LEU HG 4.790 . 4.790 3.730 2.515 4.791 0.001 8 0 "[ . 1]" 1
1106 1 74 ASN HA 1 94 LEU HG 5.190 . 5.190 4.054 3.361 4.886 . 0 0 "[ . 1]" 1
1107 1 74 ASN HB2 1 94 LEU HG 3.760 . 3.760 2.457 1.832 3.188 . 0 0 "[ . 1]" 1
1108 1 74 ASN H 1 94 LEU H 4.790 . 4.790 3.616 3.333 3.868 . 0 0 "[ . 1]" 1
1109 1 74 ASN HB2 1 94 LEU MD2 4.030 . 4.030 1.989 1.776 2.437 0.024 1 0 "[ . 1]" 1
1110 1 74 ASN HB3 1 94 LEU MD2 4.100 . 4.100 2.205 1.896 2.663 . 0 0 "[ . 1]" 1
1111 1 74 ASN H 1 94 LEU MD2 4.640 . 4.640 2.338 1.954 2.843 . 0 0 "[ . 1]" 1
1112 1 74 ASN H 1 94 LEU HG 4.670 . 4.670 3.487 2.152 4.361 . 0 0 "[ . 1]" 1
1113 1 75 VAL HA 1 75 VAL MG2 3.300 . 3.300 2.989 2.229 3.211 . 0 0 "[ . 1]" 1
1114 1 75 VAL H 1 75 VAL QG 3.490 . 3.490 2.190 1.957 2.915 . 0 0 "[ . 1]" 1
1115 1 75 VAL MG1 1 76 VAL HA 5.500 . 5.500 4.999 3.462 5.514 0.014 5 0 "[ . 1]" 1
1116 1 75 VAL HA 1 76 VAL H 2.990 . 2.990 2.220 2.160 2.329 . 0 0 "[ . 1]" 1
1117 1 75 VAL MG1 1 76 VAL H 4.460 . 4.460 3.160 2.010 3.710 . 0 0 "[ . 1]" 1
1118 1 75 VAL HB 1 76 VAL H 3.750 . 3.750 3.003 2.472 3.885 0.135 2 0 "[ . 1]" 1
1119 1 75 VAL HB 1 77 VAL MG1 4.840 . 4.840 4.194 3.198 5.003 0.163 10 0 "[ . 1]" 1
1120 1 75 VAL HA 1 88 LEU MD2 5.390 . 5.390 3.872 3.616 4.246 . 0 0 "[ . 1]" 1
1121 1 75 VAL HB 1 88 LEU MD2 4.450 . 4.450 2.799 2.187 4.307 . 0 0 "[ . 1]" 1
1122 1 75 VAL MG2 1 88 LEU MD2 4.340 . 4.340 3.502 3.283 4.042 . 0 0 "[ . 1]" 1
1123 1 75 VAL HA 1 90 ALA MB 4.830 . 4.830 4.225 3.886 4.529 . 0 0 "[ . 1]" 1
1124 1 75 VAL HB 1 91 PHE HA 4.700 . 4.700 3.677 2.777 4.585 . 0 0 "[ . 1]" 1
1125 1 75 VAL QG 1 91 PHE HA 4.000 . 4.000 1.784 1.711 1.845 0.089 7 0 "[ . 1]" 1
1126 1 75 VAL MG1 1 91 PHE QE 4.790 . 4.790 3.371 2.857 4.852 0.062 2 0 "[ . 1]" 1
1127 1 75 VAL HA 1 91 PHE H 4.980 . 4.980 4.972 4.862 5.046 0.066 9 0 "[ . 1]" 1
1128 1 75 VAL MG1 1 91 PHE HA 3.830 . 3.830 1.925 1.753 3.057 0.047 1 0 "[ . 1]" 1
1129 1 75 VAL QG 1 91 PHE QE 4.210 . 4.210 2.989 2.622 3.334 . 0 0 "[ . 1]" 1
1130 1 75 VAL HB 1 91 PHE QD 5.420 . 5.420 4.511 4.172 5.154 . 0 0 "[ . 1]" 1
1131 1 75 VAL MG2 1 91 PHE HA 4.440 . 4.440 3.740 1.861 4.498 0.058 4 0 "[ . 1]" 1
1132 1 75 VAL QG 1 91 PHE QD 4.000 . 4.000 2.446 2.225 2.697 . 0 0 "[ . 1]" 1
1133 1 75 VAL MG1 1 91 PHE QD 4.160 . 4.160 2.628 2.253 3.691 . 0 0 "[ . 1]" 1
1134 1 75 VAL HA 1 92 VAL H 3.750 . 3.750 2.957 2.758 3.176 . 0 0 "[ . 1]" 1
1135 1 76 VAL H 1 76 VAL HB 3.970 . 3.970 2.757 2.651 3.000 . 0 0 "[ . 1]" 1
1136 1 76 VAL HA 1 76 VAL MG1 3.510 . 3.510 2.201 2.050 2.402 . 0 0 "[ . 1]" 1
1137 1 76 VAL HA 1 76 VAL MG2 3.440 . 3.440 2.532 2.422 2.747 . 0 0 "[ . 1]" 1
1138 1 76 VAL H 1 76 VAL QG 3.960 . 3.960 2.388 2.025 2.603 . 0 0 "[ . 1]" 1
1139 1 76 VAL HA 1 77 VAL H 3.110 . 3.110 2.168 2.153 2.181 . 0 0 "[ . 1]" 1
1140 1 76 VAL H 1 77 VAL H 5.140 . 5.140 4.290 4.151 4.410 . 0 0 "[ . 1]" 1
1141 1 76 VAL MG1 1 77 VAL H 3.290 . 3.290 2.811 2.487 3.202 . 0 0 "[ . 1]" 1
1142 1 76 VAL QG 1 77 VAL H 3.560 . 3.560 2.772 2.470 3.133 . 0 0 "[ . 1]" 1
1143 1 76 VAL HB 1 89 VAL MG2 3.020 . 3.020 3.060 3.031 3.087 0.067 6 0 "[ . 1]" 1
1144 1 76 VAL HB 1 90 ALA MB 3.350 . 3.350 3.024 2.561 3.236 . 0 0 "[ . 1]" 1
1145 1 76 VAL QG 1 90 ALA H 4.730 . 4.730 3.431 3.265 3.686 . 0 0 "[ . 1]" 1
1146 1 76 VAL MG2 1 90 ALA MB 3.690 . 3.690 2.573 1.973 3.098 . 0 0 "[ . 1]" 1
1147 1 76 VAL HB 1 90 ALA H 3.470 . 3.470 2.721 2.344 3.107 . 0 0 "[ . 1]" 1
1148 1 76 VAL H 1 91 PHE HA 4.190 . 4.190 3.771 3.594 4.017 . 0 0 "[ . 1]" 1
1149 1 77 VAL H 1 77 VAL MG1 3.830 . 3.830 3.621 3.382 3.889 0.059 4 0 "[ . 1]" 1
1150 1 77 VAL H 1 77 VAL HB 3.600 . 3.600 3.338 2.738 3.603 0.003 6 0 "[ . 1]" 1
1151 1 77 VAL MG1 1 78 LEU H 3.560 . 3.560 2.894 2.402 3.331 . 0 0 "[ . 1]" 1
1152 1 77 VAL HA 1 78 LEU HB2 4.700 . 4.700 4.622 4.567 4.733 0.033 3 0 "[ . 1]" 1
1153 1 77 VAL HA 1 78 LEU H 3.170 . 3.170 2.181 2.126 2.220 . 0 0 "[ . 1]" 1
1154 1 77 VAL HA 1 78 LEU HB3 4.820 . 4.820 4.245 4.198 4.294 . 0 0 "[ . 1]" 1
1155 1 77 VAL MG1 1 86 LEU HB2 4.600 . 4.600 4.203 3.530 4.620 0.020 2 0 "[ . 1]" 1
1156 1 77 VAL MG1 1 87 LYS H 3.940 . 3.940 3.258 2.346 3.966 0.026 6 0 "[ . 1]" 1
1157 1 77 VAL MG2 1 87 LYS H 5.270 . 5.270 5.296 5.128 5.476 0.206 6 0 "[ . 1]" 1
1158 1 77 VAL HA 1 88 LEU MD2 5.320 . 5.320 2.925 2.835 3.186 . 0 0 "[ . 1]" 1
1159 1 77 VAL MG1 1 88 LEU MD2 4.520 . 4.520 2.420 1.781 3.180 0.019 1 0 "[ . 1]" 1
1160 1 77 VAL MG1 1 88 LEU HA 4.250 . 4.250 2.027 1.845 2.253 . 0 0 "[ . 1]" 1
1161 1 77 VAL H 1 88 LEU MD2 4.880 . 4.880 4.384 4.231 4.675 . 0 0 "[ . 1]" 1
1162 1 77 VAL HA 1 89 VAL H 4.210 . 4.210 2.213 2.080 2.380 . 0 0 "[ . 1]" 1
1163 1 77 VAL MG1 1 89 VAL H 4.110 . 4.110 3.193 2.888 3.459 . 0 0 "[ . 1]" 1
1164 1 78 LEU H 1 78 LEU HG 4.380 . 4.380 4.166 4.130 4.224 . 0 0 "[ . 1]" 1
1165 1 78 LEU HA 1 78 LEU MD1 3.840 . 3.840 2.064 1.957 2.217 . 0 0 "[ . 1]" 1
1166 1 78 LEU H 1 78 LEU HB2 3.190 . 3.190 3.201 3.097 3.240 0.050 7 0 "[ . 1]" 1
1167 1 78 LEU H 1 78 LEU HB3 3.440 . 3.440 2.406 2.296 2.464 . 0 0 "[ . 1]" 1
1168 1 78 LEU HB3 1 78 LEU HG 2.820 . 2.820 2.412 2.387 2.457 . 0 0 "[ . 1]" 1
1169 1 78 LEU HG 1 79 GLU H 4.100 . 4.100 3.531 3.344 3.692 . 0 0 "[ . 1]" 1
1170 1 78 LEU MD1 1 79 GLU H 3.590 . 3.590 2.135 2.008 2.242 . 0 0 "[ . 1]" 1
1171 1 78 LEU HA 1 79 GLU H 3.400 . 3.400 2.148 2.123 2.172 . 0 0 "[ . 1]" 1
1172 1 78 LEU HG 1 79 GLU HA 5.500 . 5.500 4.209 4.058 4.287 . 0 0 "[ . 1]" 1
1173 1 78 LEU MD1 1 80 LYS H 5.430 . 5.430 4.417 4.135 4.601 . 0 0 "[ . 1]" 1
1174 1 78 LEU HG 1 80 LYS QE 4.030 . 4.030 3.429 2.561 4.061 0.031 4 0 "[ . 1]" 1
1175 1 78 LEU MD1 1 80 LYS QE 5.230 . 5.230 4.023 2.906 4.779 . 0 0 "[ . 1]" 1
1176 1 78 LEU MD1 1 80 LYS HB2 5.460 . 5.460 4.226 3.598 4.653 . 0 0 "[ . 1]" 1
1177 1 78 LEU MD1 1 80 LYS HA 5.000 . 5.000 3.789 3.680 3.919 . 0 0 "[ . 1]" 1
1178 1 78 LEU HG 1 80 LYS H 4.530 . 4.530 4.420 4.268 4.536 0.006 1 0 "[ . 1]" 1
1179 1 78 LEU HG 1 80 LYS HA 5.140 . 5.140 4.435 4.208 4.536 . 0 0 "[ . 1]" 1
1180 1 78 LEU MD1 1 81 ALA H 5.500 . 5.500 5.513 5.445 5.557 0.057 3 0 "[ . 1]" 1
1181 1 78 LEU H 1 87 LYS H 3.990 . 3.990 3.337 3.184 3.453 . 0 0 "[ . 1]" 1
1182 1 78 LEU MD1 1 87 LYS H 5.480 . 5.480 5.346 5.238 5.435 . 0 0 "[ . 1]" 1
1183 1 78 LEU HB2 1 87 LYS QE 4.680 . 4.680 4.159 3.060 4.750 0.070 1 0 "[ . 1]" 1
1184 1 78 LEU HB3 1 87 LYS H 4.470 . 4.470 4.468 4.372 4.505 0.035 8 0 "[ . 1]" 1
1185 1 78 LEU HG 1 87 LYS H 4.790 . 4.790 4.811 4.766 4.896 0.106 2 0 "[ . 1]" 1
1186 1 78 LEU HG 1 87 LYS QB 3.070 . 3.070 3.124 3.092 3.178 0.108 5 0 "[ . 1]" 1
1187 1 78 LEU HG 1 87 LYS QD 4.920 . 4.920 4.336 3.537 4.924 0.004 2 0 "[ . 1]" 1
1188 1 78 LEU H 1 87 LYS QB 4.650 . 4.650 3.354 3.066 3.593 . 0 0 "[ . 1]" 1
1189 1 78 LEU H 1 89 VAL MG2 3.390 . 3.390 2.478 2.279 2.679 . 0 0 "[ . 1]" 1
1190 1 78 LEU HB2 1 89 VAL MG2 2.400 . 2.400 2.447 2.421 2.483 0.083 4 0 "[ . 1]" 1
1191 1 78 LEU H 1 89 VAL H 5.150 . 5.150 3.378 3.086 3.619 . 0 0 "[ . 1]" 1
1192 1 79 GLU H 1 79 GLU QG 4.430 . 4.430 3.633 3.419 3.774 . 0 0 "[ . 1]" 1
1193 1 79 GLU HA 1 79 GLU QG 3.710 . 3.710 2.859 2.735 2.976 . 0 0 "[ . 1]" 1
1194 1 79 GLU HA 1 80 LYS H 2.870 . 2.870 2.208 2.175 2.230 . 0 0 "[ . 1]" 1
1195 1 79 GLU H 1 80 LYS H 5.070 . 5.070 4.508 4.455 4.540 . 0 0 "[ . 1]" 1
1196 1 79 GLU QG 1 80 LYS H 3.940 . 3.940 2.957 2.612 3.163 . 0 0 "[ . 1]" 1
1197 1 79 GLU QG 1 86 LEU MD1 3.470 . 3.470 3.526 3.460 3.626 0.156 1 0 "[ . 1]" 1
1198 1 79 GLU HB3 1 86 LEU MD1 4.530 . 4.530 4.382 4.148 4.556 0.026 7 0 "[ . 1]" 1
1199 1 79 GLU HB2 1 86 LEU MD1 5.500 . 5.500 2.923 2.713 3.094 . 0 0 "[ . 1]" 1
1200 1 79 GLU HA 1 86 LEU HB3 3.820 . 3.820 3.824 3.668 3.893 0.073 4 0 "[ . 1]" 1
1201 1 79 GLU HA 1 86 LEU MD1 3.640 . 3.640 2.865 2.661 3.013 . 0 0 "[ . 1]" 1
1202 1 79 GLU HA 1 87 LYS H 4.980 . 4.980 3.413 3.303 3.499 . 0 0 "[ . 1]" 1
1203 1 80 LYS H 1 80 LYS QD 5.360 . 5.360 4.270 3.753 5.002 . 0 0 "[ . 1]" 1
1204 1 80 LYS H 1 80 LYS QE 5.460 . 5.460 5.166 4.675 5.484 0.024 1 0 "[ . 1]" 1
1205 1 80 LYS H 1 80 LYS HB2 3.450 . 3.450 2.660 2.485 2.926 . 0 0 "[ . 1]" 1
1206 1 80 LYS HA 1 81 ALA MB 4.390 . 4.390 3.938 3.901 3.956 . 0 0 "[ . 1]" 1
1207 1 80 LYS HA 1 81 ALA H 3.180 . 3.180 2.152 2.126 2.228 . 0 0 "[ . 1]" 1
1208 1 80 LYS QG 1 81 ALA H 5.500 . 5.500 2.807 2.205 3.146 . 0 0 "[ . 1]" 1
1209 1 80 LYS QG 1 82 SER H 4.520 . 4.520 2.799 1.889 3.386 . 0 0 "[ . 1]" 1
1210 1 80 LYS HG2 1 82 SER HB2 4.100 . 4.100 3.132 2.631 3.860 . 0 0 "[ . 1]" 1
1211 1 80 LYS QE 1 82 SER HB2 5.410 . 5.410 4.561 4.063 5.276 . 0 0 "[ . 1]" 1
1212 1 80 LYS HA 1 82 SER H 4.660 . 4.660 3.812 3.677 3.926 . 0 0 "[ . 1]" 1
1213 1 80 LYS HB3 1 82 SER H 4.120 . 4.120 3.716 3.039 4.142 0.022 7 0 "[ . 1]" 1
1214 1 80 LYS HB2 1 82 SER H 5.150 . 5.150 4.962 4.708 5.200 0.050 2 0 "[ . 1]" 1
1215 1 80 LYS QG 1 82 SER HB2 2.940 . 2.940 2.888 2.554 2.986 0.046 9 0 "[ . 1]" 1
1216 1 80 LYS HB2 1 83 ASP H 4.180 . 4.180 4.257 4.189 4.389 0.209 10 0 "[ . 1]" 1
1217 1 80 LYS HB3 1 83 ASP H 4.210 . 4.210 2.678 2.528 3.026 . 0 0 "[ . 1]" 1
1218 1 80 LYS HB3 1 85 SER H 4.210 . 4.210 3.745 3.345 4.192 . 0 0 "[ . 1]" 1
1219 1 80 LYS H 1 85 SER H 4.260 . 4.260 3.900 3.786 4.053 . 0 0 "[ . 1]" 1
1220 1 80 LYS H 1 86 LEU MD1 4.210 . 4.210 3.635 3.402 3.789 . 0 0 "[ . 1]" 1
1221 1 80 LYS H 1 86 LEU HA 2.980 . 2.980 2.857 2.686 2.989 0.009 9 0 "[ . 1]" 1
1222 1 81 ALA H 1 81 ALA MB 3.380 . 3.380 2.293 2.233 2.341 . 0 0 "[ . 1]" 1
1223 1 81 ALA H 1 82 SER H 3.640 . 3.640 2.183 2.014 2.261 . 0 0 "[ . 1]" 1
1224 1 81 ALA MB 1 82 SER H 4.070 . 4.070 2.753 2.644 2.866 . 0 0 "[ . 1]" 1
1225 1 82 SER H 1 82 SER HB2 3.340 . 3.340 2.246 2.092 2.359 . 0 0 "[ . 1]" 1
1226 1 82 SER HA 1 82 SER HB3 2.970 . 2.970 2.738 2.561 3.011 0.041 10 0 "[ . 1]" 1
1227 1 82 SER H 1 83 ASP H 3.710 . 3.710 2.747 2.640 2.834 . 0 0 "[ . 1]" 1
1228 1 82 SER HB2 1 83 ASP H 4.430 . 4.430 3.073 2.766 3.749 . 0 0 "[ . 1]" 1
1229 1 83 ASP H 1 83 ASP HB2 3.970 . 3.970 2.422 2.143 3.646 . 0 0 "[ . 1]" 1
1230 1 83 ASP H 1 84 ASN H 2.810 . 2.810 2.359 2.251 2.466 . 0 0 "[ . 1]" 1
1231 1 83 ASP HA 1 84 ASN HB2 5.020 . 5.020 4.134 3.967 4.476 . 0 0 "[ . 1]" 1
1232 1 83 ASP H 1 85 SER H 3.990 . 3.990 4.018 3.983 4.045 0.055 1 0 "[ . 1]" 1
1233 1 84 ASN H 1 84 ASN HA 2.890 . 2.890 2.263 2.254 2.273 . 0 0 "[ . 1]" 1
1234 1 84 ASN H 1 84 ASN HB3 4.130 . 4.130 4.006 3.832 4.084 . 0 0 "[ . 1]" 1
1235 1 84 ASN H 1 85 SER H 3.420 . 3.420 2.866 2.619 3.088 . 0 0 "[ . 1]" 1
1236 1 84 ASN HB3 1 85 SER H 4.910 . 4.910 4.358 4.165 4.505 . 0 0 "[ . 1]" 1
1237 1 84 ASN HB2 1 85 SER H 5.000 . 5.000 4.474 4.283 4.594 . 0 0 "[ . 1]" 1
1238 1 85 SER H 1 85 SER QB 3.190 . 3.190 3.072 2.923 3.270 0.080 3 0 "[ . 1]" 1
1239 1 85 SER QB 1 86 LEU H 3.260 . 3.260 2.361 1.973 2.870 . 0 0 "[ . 1]" 1
1240 1 85 SER H 1 86 LEU H 4.200 . 4.200 4.326 4.296 4.343 0.143 8 0 "[ . 1]" 1
1241 1 85 SER QB 1 86 LEU MD2 4.560 . 4.560 3.337 2.671 3.766 . 0 0 "[ . 1]" 1
1242 1 86 LEU H 1 86 LEU MD2 3.860 . 3.860 1.873 1.812 1.982 . 0 0 "[ . 1]" 1
1243 1 86 LEU HA 1 86 LEU MD1 3.260 . 3.260 2.199 2.061 2.314 . 0 0 "[ . 1]" 1
1244 1 86 LEU HB3 1 86 LEU MD1 2.400 . 2.400 2.420 2.397 2.446 0.046 2 0 "[ . 1]" 1
1245 1 86 LEU H 1 86 LEU HB3 3.910 . 3.910 3.702 3.656 3.738 . 0 0 "[ . 1]" 1
1246 1 86 LEU H 1 86 LEU HG 4.370 . 4.370 3.921 3.827 4.034 . 0 0 "[ . 1]" 1
1247 1 86 LEU H 1 86 LEU MD1 4.040 . 4.040 2.974 2.752 3.166 . 0 0 "[ . 1]" 1
1248 1 86 LEU HB3 1 87 LYS H 3.780 . 3.780 2.424 2.318 2.482 . 0 0 "[ . 1]" 1
1249 1 86 LEU HA 1 87 LYS H 3.100 . 3.100 2.483 2.439 2.517 . 0 0 "[ . 1]" 1
1250 1 86 LEU HA 1 87 LYS QB 5.170 . 5.170 3.885 3.815 3.925 . 0 0 "[ . 1]" 1
1251 1 86 LEU HG 1 87 LYS H 4.960 . 4.960 4.759 4.656 4.818 . 0 0 "[ . 1]" 1
1252 1 86 LEU HB2 1 87 LYS H 4.180 . 4.180 3.242 3.161 3.327 . 0 0 "[ . 1]" 1
1253 1 86 LEU H 1 87 LYS H 4.770 . 4.770 4.552 4.523 4.591 . 0 0 "[ . 1]" 1
1254 1 87 LYS H 1 87 LYS QG 4.720 . 4.720 4.128 3.788 4.322 . 0 0 "[ . 1]" 1
1255 1 87 LYS HA 1 87 LYS QD 3.910 . 3.910 3.660 3.424 4.028 0.118 5 0 "[ . 1]" 1
1256 1 87 LYS QB 1 87 LYS QD 2.600 . 2.600 2.140 1.925 2.421 . 0 0 "[ . 1]" 1
1257 1 87 LYS QB 1 87 LYS QE 3.190 . 3.190 2.672 2.029 3.254 0.064 10 0 "[ . 1]" 1
1258 1 87 LYS H 1 87 LYS QB 3.760 . 3.760 2.698 2.665 2.767 . 0 0 "[ . 1]" 1
1259 1 87 LYS H 1 88 LEU H 4.890 . 4.890 4.191 4.070 4.312 . 0 0 "[ . 1]" 1
1260 1 87 LYS HA 1 88 LEU H 2.910 . 2.910 2.152 2.111 2.216 . 0 0 "[ . 1]" 1
1261 1 87 LYS QD 1 88 LEU H 4.120 . 4.120 3.884 3.074 4.161 0.041 7 0 "[ . 1]" 1
1262 1 87 LYS QG 1 88 LEU H 3.460 . 3.460 2.632 2.128 2.956 . 0 0 "[ . 1]" 1
1263 1 87 LYS QB 1 88 LEU HA 5.190 . 5.190 4.793 4.295 5.028 . 0 0 "[ . 1]" 1
1264 1 87 LYS QB 1 88 LEU H 3.970 . 3.970 3.662 3.268 3.836 . 0 0 "[ . 1]" 1
1265 1 87 LYS QE 1 89 VAL MG1 5.500 . 5.500 3.924 3.426 4.532 . 0 0 "[ . 1]" 1
1266 1 87 LYS QE 1 89 VAL MG2 4.360 . 4.360 3.372 2.499 4.145 . 0 0 "[ . 1]" 1
1267 1 87 LYS QE 1 89 VAL HA 4.620 . 4.620 3.938 2.440 4.550 . 0 0 "[ . 1]" 1
1268 1 88 LEU H 1 88 LEU HB2 3.300 . 3.300 2.481 2.346 2.796 . 0 0 "[ . 1]" 1
1269 1 88 LEU HA 1 88 LEU MD2 3.320 . 3.320 1.943 1.848 2.139 . 0 0 "[ . 1]" 1
1270 1 88 LEU HB3 1 88 LEU MD1 3.530 . 3.530 2.084 1.970 2.183 . 0 0 "[ . 1]" 1
1271 1 88 LEU H 1 88 LEU MD1 4.490 . 4.490 4.275 4.096 4.359 . 0 0 "[ . 1]" 1
1272 1 88 LEU H 1 88 LEU HB3 3.300 . 3.300 2.688 2.498 2.776 . 0 0 "[ . 1]" 1
1273 1 88 LEU H 1 88 LEU HG 4.920 . 4.920 4.513 4.376 4.756 . 0 0 "[ . 1]" 1
1274 1 88 LEU HA 1 89 VAL MG2 4.110 . 4.110 3.483 3.332 3.581 . 0 0 "[ . 1]" 1
1275 1 88 LEU H 1 89 VAL H 4.780 . 4.780 4.364 4.266 4.471 . 0 0 "[ . 1]" 1
1276 1 88 LEU MD1 1 89 VAL H 4.860 . 4.860 4.370 3.506 4.621 . 0 0 "[ . 1]" 1
1277 1 88 LEU HA 1 89 VAL H 3.330 . 3.330 2.149 2.143 2.159 . 0 0 "[ . 1]" 1
1278 1 88 LEU HB3 1 89 VAL H 4.480 . 4.480 4.196 4.049 4.368 . 0 0 "[ . 1]" 1
1279 1 88 LEU MD2 1 89 VAL H 3.570 . 3.570 2.184 1.998 2.403 . 0 0 "[ . 1]" 1
1280 1 88 LEU MD1 1 90 ALA H 4.470 . 4.470 4.016 2.879 4.385 . 0 0 "[ . 1]" 1
1281 1 88 LEU MD1 1 90 ALA HA 4.060 . 4.060 3.765 2.620 4.080 0.020 8 0 "[ . 1]" 1
1282 1 88 LEU MD2 1 90 ALA H 3.570 . 3.570 2.190 2.026 2.450 . 0 0 "[ . 1]" 1
1283 1 88 LEU MD2 1 90 ALA HA 4.980 . 4.980 3.287 3.039 3.910 . 0 0 "[ . 1]" 1
1284 1 88 LEU MD1 1 91 PHE QD 4.260 . 4.260 2.542 1.882 3.853 . 0 0 "[ . 1]" 1
1285 1 88 LEU MD1 1 91 PHE H 5.500 . 5.500 3.850 3.280 4.243 . 0 0 "[ . 1]" 1
1286 1 88 LEU MD1 1 91 PHE HB3 4.370 . 4.370 3.644 3.387 3.992 . 0 0 "[ . 1]" 1
1287 1 88 LEU MD2 1 91 PHE HB2 4.390 . 4.390 3.168 2.721 3.581 . 0 0 "[ . 1]" 1
1288 1 88 LEU MD2 1 91 PHE QD 3.980 . 3.980 3.647 3.335 3.998 0.018 4 0 "[ . 1]" 1
1289 1 88 LEU MD1 1 91 PHE HB2 4.040 . 4.040 2.261 1.909 2.714 . 0 0 "[ . 1]" 1
1290 1 88 LEU MD2 1 91 PHE H 5.500 . 5.500 3.917 3.392 4.478 . 0 0 "[ . 1]" 1
1291 1 89 VAL H 1 89 VAL HB 3.550 . 3.550 2.817 2.760 2.876 . 0 0 "[ . 1]" 1
1292 1 89 VAL H 1 89 VAL MG2 4.080 . 4.080 2.041 1.948 2.144 . 0 0 "[ . 1]" 1
1293 1 89 VAL H 1 89 VAL MG1 4.010 . 4.010 3.774 3.748 3.802 . 0 0 "[ . 1]" 1
1294 1 89 VAL HA 1 89 VAL MG2 3.310 . 3.310 2.581 2.542 2.631 . 0 0 "[ . 1]" 1
1295 1 89 VAL HA 1 89 VAL MG1 3.520 . 3.520 2.183 2.079 2.259 . 0 0 "[ . 1]" 1
1296 1 89 VAL H 1 90 ALA HA 5.220 . 5.220 5.018 4.884 5.133 . 0 0 "[ . 1]" 1
1297 1 89 VAL MG1 1 90 ALA H 4.450 . 4.450 3.661 3.585 3.735 . 0 0 "[ . 1]" 1
1298 1 89 VAL HB 1 90 ALA H 3.130 . 3.130 2.360 2.277 2.456 . 0 0 "[ . 1]" 1
1299 1 89 VAL H 1 90 ALA H 3.190 . 3.190 2.627 2.506 2.724 . 0 0 "[ . 1]" 1
1300 1 90 ALA HA 1 91 PHE H 2.630 . 2.630 2.266 2.185 2.332 . 0 0 "[ . 1]" 1
1301 1 90 ALA MB 1 91 PHE H 3.410 . 3.410 2.699 2.530 3.029 . 0 0 "[ . 1]" 1
1302 1 90 ALA H 1 91 PHE H 4.510 . 4.510 4.341 4.179 4.404 . 0 0 "[ . 1]" 1
1303 1 90 ALA MB 1 92 VAL QG 3.130 . 3.130 2.910 2.806 2.997 . 0 0 "[ . 1]" 1
1304 1 90 ALA MB 1 92 VAL H 5.000 . 5.000 4.761 4.637 4.917 . 0 0 "[ . 1]" 1
1305 1 91 PHE H 1 91 PHE HB3 3.390 . 3.390 2.793 2.612 2.939 . 0 0 "[ . 1]" 1
1306 1 91 PHE H 1 91 PHE HB2 3.640 . 3.640 2.936 2.686 3.062 . 0 0 "[ . 1]" 1
1307 1 91 PHE H 1 91 PHE QD 4.920 . 4.920 4.311 4.228 4.372 . 0 0 "[ . 1]" 1
1308 1 91 PHE QD 1 92 VAL HA 4.930 . 4.930 3.238 3.068 3.422 . 0 0 "[ . 1]" 1
1309 1 91 PHE HA 1 92 VAL QG 3.150 . 3.150 3.215 3.159 3.254 0.104 6 0 "[ . 1]" 1
1310 1 91 PHE H 1 92 VAL H 4.790 . 4.790 4.292 4.206 4.426 . 0 0 "[ . 1]" 1
1311 1 91 PHE QD 1 92 VAL H 4.700 . 4.700 2.885 2.565 3.147 . 0 0 "[ . 1]" 1
1312 1 91 PHE HB3 1 92 VAL H 5.060 . 5.060 4.171 4.071 4.259 . 0 0 "[ . 1]" 1
1313 1 91 PHE QD 1 92 VAL HB 5.120 . 5.120 5.055 4.883 5.175 0.055 8 0 "[ . 1]" 1
1314 1 91 PHE H 1 92 VAL QG 4.030 . 4.030 3.514 3.345 3.841 . 0 0 "[ . 1]" 1
1315 1 91 PHE HA 1 92 VAL H 2.930 . 2.930 2.149 2.128 2.169 . 0 0 "[ . 1]" 1
1316 1 91 PHE H 1 92 VAL MG2 3.940 . 3.940 3.547 3.368 3.894 . 0 0 "[ . 1]" 1
1317 1 91 PHE QD 1 93 PRO HA 4.670 . 4.670 4.598 4.445 4.691 0.021 10 0 "[ . 1]" 1
1318 1 91 PHE QE 1 93 PRO HB3 4.820 . 4.820 4.283 3.612 4.831 0.011 10 0 "[ . 1]" 1
1319 1 92 VAL H 1 92 VAL MG2 3.400 . 3.400 2.473 2.391 2.530 . 0 0 "[ . 1]" 1
1320 1 92 VAL H 1 92 VAL QG 3.400 . 3.400 2.449 2.372 2.501 . 0 0 "[ . 1]" 1
1321 1 92 VAL HA 1 92 VAL QG 3.170 . 3.170 2.121 2.055 2.148 . 0 0 "[ . 1]" 1
1322 1 92 VAL H 1 92 VAL HB 3.380 . 3.380 2.867 2.801 2.971 . 0 0 "[ . 1]" 1
1323 1 92 VAL QG 1 93 PRO HD3 3.080 . 3.080 2.786 2.335 2.959 . 0 0 "[ . 1]" 1
1324 1 92 VAL H 1 93 PRO HA 5.120 . 5.120 5.022 4.975 5.089 . 0 0 "[ . 1]" 1
1325 1 92 VAL HA 1 93 PRO HB3 4.760 . 4.760 4.743 4.700 4.779 0.019 4 0 "[ . 1]" 1
1326 1 92 VAL HB 1 94 LEU MD2 4.480 . 4.480 3.416 3.057 3.760 . 0 0 "[ . 1]" 1
1327 1 92 VAL HA 1 94 LEU MD2 5.500 . 5.500 5.173 4.777 5.570 0.070 8 0 "[ . 1]" 1
1328 1 92 VAL QG 1 94 LEU MD2 4.400 . 4.400 3.130 2.647 3.549 . 0 0 "[ . 1]" 1
1329 1 93 PRO HA 1 94 LEU H 3.140 . 3.140 2.203 2.188 2.223 . 0 0 "[ . 1]" 1
1330 1 93 PRO HB2 1 94 LEU H 4.560 . 4.560 3.337 3.308 3.394 . 0 0 "[ . 1]" 1
1331 1 93 PRO HB2 1 95 PHE H 3.990 . 3.990 2.755 2.525 2.984 . 0 0 "[ . 1]" 1
1332 1 93 PRO HG3 1 95 PHE H 5.200 . 5.200 5.182 4.941 5.259 0.059 4 0 "[ . 1]" 1
1333 1 93 PRO HA 1 95 PHE QE 4.710 . 4.710 3.213 2.719 3.868 . 0 0 "[ . 1]" 1
1334 1 93 PRO HB2 1 95 PHE QE 3.350 . 3.350 2.564 2.307 2.760 . 0 0 "[ . 1]" 1
1335 1 94 LEU H 1 94 LEU MD2 5.100 . 5.100 3.226 2.994 3.529 . 0 0 "[ . 1]" 1
1336 1 94 LEU H 1 94 LEU HB3 3.600 . 3.600 3.423 3.183 3.652 0.052 6 0 "[ . 1]" 1
1337 1 94 LEU HB3 1 94 LEU MD2 3.530 . 3.530 3.089 2.751 3.193 . 0 0 "[ . 1]" 1
1338 1 94 LEU HA 1 94 LEU MD2 3.420 . 3.420 1.884 1.796 2.060 0.004 9 0 "[ . 1]" 1
1339 1 94 LEU HA 1 94 LEU MD1 3.910 . 3.910 2.719 2.214 3.462 . 0 0 "[ . 1]" 1
1340 1 94 LEU HB2 1 95 PHE QD 4.640 . 4.640 4.377 3.910 4.702 0.062 10 0 "[ . 1]" 1
1341 1 94 LEU H 1 95 PHE H 4.100 . 4.100 2.891 2.593 3.100 . 0 0 "[ . 1]" 1
1342 1 94 LEU HA 1 95 PHE H 3.480 . 3.480 2.859 2.698 3.056 . 0 0 "[ . 1]" 1
1343 1 94 LEU QD 1 95 PHE H 4.810 . 4.810 3.945 3.835 4.120 . 0 0 "[ . 1]" 1
1344 1 94 LEU MD2 1 95 PHE H 4.600 . 4.600 4.232 4.049 4.571 . 0 0 "[ . 1]" 1
1345 1 94 LEU H 1 95 PHE QD 4.040 . 4.040 2.552 2.332 2.904 . 0 0 "[ . 1]" 1
1346 1 94 LEU HB2 1 95 PHE H 4.610 . 4.610 4.329 4.041 4.465 . 0 0 "[ . 1]" 1
1347 1 94 LEU H 1 95 PHE QE 4.600 . 4.600 3.876 3.338 4.379 . 0 0 "[ . 1]" 1
1348 1 94 LEU HB3 1 95 PHE H 4.530 . 4.530 4.278 4.116 4.395 . 0 0 "[ . 1]" 1
1349 1 95 PHE H 1 95 PHE QD 4.400 . 4.400 2.419 2.155 2.634 . 0 0 "[ . 1]" 1
1350 1 55 TYR QD 1 78 LEU HA 5.080 . 5.080 2.683 2.242 3.029 . 0 0 "[ . 1]" 1
1351 1 73 TYR QE 1 93 PRO HA 4.700 . 4.700 3.799 3.316 4.399 . 0 0 "[ . 1]" 1
1352 1 36 ILE MD 1 66 PRO QD 4.500 . 4.500 3.679 3.250 3.979 . 0 0 "[ . 1]" 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 78
_Distance_constraint_stats_list.Viol_count 205
_Distance_constraint_stats_list.Viol_total 126.101
_Distance_constraint_stats_list.Viol_max 0.207
_Distance_constraint_stats_list.Viol_rms 0.0356
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0162
_Distance_constraint_stats_list.Viol_average_violations_only 0.0615
_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 ILE 0.480 0.070 10 0 "[ . 1]"
1 13 SER 0.593 0.123 8 0 "[ . 1]"
1 16 ASP 0.593 0.123 8 0 "[ . 1]"
1 18 ARG 0.000 0.000 . 0 "[ . 1]"
1 19 VAL 0.000 0.000 . 0 "[ . 1]"
1 20 LYS 0.321 0.084 6 0 "[ . 1]"
1 21 GLU 0.336 0.067 3 0 "[ . 1]"
1 22 ILE 0.649 0.108 3 0 "[ . 1]"
1 23 ALA 1.200 0.124 1 0 "[ . 1]"
1 24 GLU 0.321 0.084 6 0 "[ . 1]"
1 25 PHE 0.336 0.067 3 0 "[ . 1]"
1 26 ALA 0.649 0.108 3 0 "[ . 1]"
1 27 LEU 1.200 0.124 1 0 "[ . 1]"
1 28 LYS 0.000 0.000 . 0 "[ . 1]"
1 29 GLN 0.000 0.000 . 0 "[ . 1]"
1 36 ILE 1.651 0.207 4 0 "[ . 1]"
1 38 ALA 0.000 0.000 . 0 "[ . 1]"
1 39 GLY 1.581 0.128 7 0 "[ . 1]"
1 42 ALA 0.000 0.000 . 0 "[ . 1]"
1 43 GLY 0.480 0.070 10 0 "[ . 1]"
1 44 GLN 0.000 0.000 . 0 "[ . 1]"
1 46 ILE 2.203 0.172 7 0 "[ . 1]"
1 55 TYR 2.203 0.172 7 0 "[ . 1]"
1 56 TYR 0.000 0.000 . 0 "[ . 1]"
1 57 ASN 0.000 0.000 . 0 "[ . 1]"
1 58 LEU 0.958 0.098 4 0 "[ . 1]"
1 59 ILE 0.000 0.000 . 0 "[ . 1]"
1 60 LEU 0.277 0.061 7 0 "[ . 1]"
1 61 SER 1.581 0.128 7 0 "[ . 1]"
1 62 ALA 0.085 0.039 9 0 "[ . 1]"
1 63 LYS 1.651 0.207 4 0 "[ . 1]"
1 65 SER 0.629 0.091 10 0 "[ . 1]"
1 68 GLU 0.629 0.091 10 0 "[ . 1]"
1 71 LYS 0.085 0.039 9 0 "[ . 1]"
1 72 PHE 0.000 0.000 . 0 "[ . 1]"
1 73 TYR 0.277 0.061 7 0 "[ . 1]"
1 74 ASN 0.038 0.026 9 0 "[ . 1]"
1 75 VAL 0.958 0.098 4 0 "[ . 1]"
1 76 VAL 0.284 0.060 6 0 "[ . 1]"
1 77 VAL 0.000 0.000 . 0 "[ . 1]"
1 78 LEU 0.211 0.053 7 0 "[ . 1]"
1 80 LYS 1.011 0.099 6 0 "[ . 1]"
1 81 ALA 0.102 0.030 2 0 "[ . 1]"
1 84 ASN 0.102 0.030 2 0 "[ . 1]"
1 85 SER 1.011 0.099 6 0 "[ . 1]"
1 87 LYS 0.211 0.053 7 0 "[ . 1]"
1 90 ALA 0.284 0.060 6 0 "[ . 1]"
1 92 VAL 0.038 0.026 9 0 "[ . 1]"
1 94 LEU 0.000 0.000 . 0 "[ . 1]"
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 ILE H 1 43 GLY O 1.500 . 2.200 2.248 2.235 2.270 0.070 10 0 "[ . 1]" 2
2 1 12 ILE N 1 43 GLY O 2.500 2.300 3.200 3.056 3.035 3.085 . 0 0 "[ . 1]" 2
3 1 13 SER O 1 16 ASP H 1.500 . 2.200 2.255 2.156 2.323 0.123 8 0 "[ . 1]" 2
4 1 13 SER O 1 16 ASP N 2.500 2.300 3.200 3.142 3.050 3.197 . 0 0 "[ . 1]" 2
5 1 16 ASP O 1 20 LYS H 1.500 . 2.200 2.090 2.039 2.148 . 0 0 "[ . 1]" 2
6 1 16 ASP O 1 20 LYS N 2.500 2.300 3.200 3.040 3.001 3.101 . 0 0 "[ . 1]" 2
7 1 18 ARG O 1 22 ILE H 1.500 . 2.200 1.866 1.719 2.019 . 0 0 "[ . 1]" 2
8 1 18 ARG O 1 22 ILE N 2.500 2.300 3.200 2.782 2.642 2.918 . 0 0 "[ . 1]" 2
9 1 19 VAL O 1 23 ALA H 1.500 . 2.200 2.060 1.952 2.152 . 0 0 "[ . 1]" 2
10 1 19 VAL O 1 23 ALA N 2.500 2.300 3.200 2.892 2.799 2.966 . 0 0 "[ . 1]" 2
11 1 20 LYS O 1 24 GLU H 1.500 . 2.200 2.220 2.137 2.284 0.084 6 0 "[ . 1]" 2
12 1 20 LYS O 1 24 GLU N 2.500 2.300 3.200 3.159 3.068 3.228 0.028 6 0 "[ . 1]" 2
13 1 21 GLU O 1 25 PHE H 1.500 . 2.200 2.231 2.192 2.267 0.067 3 0 "[ . 1]" 2
14 1 21 GLU O 1 25 PHE N 2.500 2.300 3.200 3.149 3.065 3.214 0.014 10 0 "[ . 1]" 2
15 1 22 ILE O 1 26 ALA H 1.500 . 2.200 2.265 2.222 2.308 0.108 3 0 "[ . 1]" 2
16 1 22 ILE O 1 26 ALA N 2.500 2.300 3.200 3.091 3.026 3.135 . 0 0 "[ . 1]" 2
17 1 23 ALA O 1 27 LEU H 1.500 . 2.200 2.306 2.259 2.324 0.124 1 0 "[ . 1]" 2
18 1 23 ALA O 1 27 LEU N 2.500 2.300 3.200 3.206 3.158 3.239 0.039 2 0 "[ . 1]" 2
19 1 24 GLU O 1 28 LYS H 1.500 . 2.200 2.072 1.978 2.147 . 0 0 "[ . 1]" 2
20 1 24 GLU O 1 28 LYS N 2.500 2.300 3.200 3.045 2.951 3.117 . 0 0 "[ . 1]" 2
21 1 25 PHE O 1 29 GLN H 1.500 . 2.200 2.089 1.952 2.179 . 0 0 "[ . 1]" 2
22 1 25 PHE O 1 29 GLN N 2.500 2.300 3.200 2.802 2.760 2.891 . 0 0 "[ . 1]" 2
23 1 36 ILE H 1 63 LYS O 1.500 . 2.200 2.365 2.316 2.407 0.207 4 0 "[ . 1]" 2
24 1 36 ILE N 1 63 LYS O 2.500 2.300 3.200 3.132 3.090 3.173 . 0 0 "[ . 1]" 2
25 1 38 ALA H 1 61 SER O 1.500 . 2.200 1.983 1.850 2.043 . 0 0 "[ . 1]" 2
26 1 38 ALA N 1 61 SER O 2.500 2.300 3.200 2.617 2.543 2.691 . 0 0 "[ . 1]" 2
27 1 39 GLY H 1 61 SER O 1.500 . 2.200 2.311 2.275 2.328 0.128 7 0 "[ . 1]" 2
28 1 39 GLY N 1 61 SER O 2.500 2.300 3.200 3.247 3.232 3.268 0.068 5 0 "[ . 1]" 2
29 1 42 ALA H 1 59 ILE O 1.500 . 2.200 2.003 1.787 2.186 . 0 0 "[ . 1]" 2
30 1 42 ALA N 1 59 ILE O 2.500 2.300 3.200 2.978 2.765 3.160 . 0 0 "[ . 1]" 2
31 1 44 GLN H 1 57 ASN O 1.500 . 2.200 1.689 1.537 1.917 . 0 0 "[ . 1]" 2
32 1 44 GLN N 1 57 ASN O 2.500 2.300 3.200 2.488 2.428 2.552 . 0 0 "[ . 1]" 2
33 1 46 ILE H 1 55 TYR O 1.500 . 2.200 1.921 1.780 2.041 . 0 0 "[ . 1]" 2
34 1 46 ILE N 1 55 TYR O 2.500 2.300 3.200 2.870 2.754 2.965 . 0 0 "[ . 1]" 2
35 1 46 ILE O 1 55 TYR H 1.500 . 2.200 2.345 2.311 2.372 0.172 7 0 "[ . 1]" 2
36 1 46 ILE O 1 55 TYR N 2.500 2.300 3.200 3.276 3.236 3.325 0.125 8 0 "[ . 1]" 2
37 1 56 TYR H 1 77 VAL O 1.500 . 2.200 1.853 1.746 2.046 . 0 0 "[ . 1]" 2
38 1 56 TYR N 1 77 VAL O 2.500 2.300 3.200 2.781 2.683 2.928 . 0 0 "[ . 1]" 2
39 1 44 GLN O 1 57 ASN H 1.500 . 2.200 1.872 1.807 1.981 . 0 0 "[ . 1]" 2
40 1 44 GLN O 1 57 ASN N 2.500 2.300 3.200 2.809 2.721 2.927 . 0 0 "[ . 1]" 2
41 1 58 LEU H 1 75 VAL O 1.500 . 2.200 2.275 2.218 2.298 0.098 4 0 "[ . 1]" 2
42 1 58 LEU N 1 75 VAL O 2.500 2.300 3.200 3.216 3.156 3.250 0.050 6 0 "[ . 1]" 2
43 1 42 ALA O 1 59 ILE H 1.500 . 2.200 1.814 1.691 1.988 . 0 0 "[ . 1]" 2
44 1 42 ALA O 1 59 ILE N 2.500 2.300 3.200 2.766 2.656 2.895 . 0 0 "[ . 1]" 2
45 1 60 LEU H 1 73 TYR O 1.500 . 2.200 2.149 2.073 2.237 0.037 7 0 "[ . 1]" 2
46 1 60 LEU N 1 73 TYR O 2.500 2.300 3.200 3.025 2.971 3.081 . 0 0 "[ . 1]" 2
47 1 62 ALA H 1 71 LYS O 1.500 . 2.200 2.066 1.916 2.169 . 0 0 "[ . 1]" 2
48 1 62 ALA N 1 71 LYS O 2.500 2.300 3.200 2.970 2.847 3.094 . 0 0 "[ . 1]" 2
49 1 36 ILE O 1 63 LYS H 1.500 . 2.200 1.780 1.712 1.845 . 0 0 "[ . 1]" 2
50 1 36 ILE O 1 63 LYS N 2.500 2.300 3.200 2.611 2.562 2.650 . 0 0 "[ . 1]" 2
51 1 65 SER O 1 68 GLU H 1.500 . 2.200 2.252 2.143 2.291 0.091 10 0 "[ . 1]" 2
52 1 65 SER O 1 68 GLU N 2.500 2.300 3.200 3.164 3.050 3.222 0.022 7 0 "[ . 1]" 2
53 1 62 ALA O 1 71 LYS H 1.500 . 2.200 2.133 1.939 2.239 0.039 9 0 "[ . 1]" 2
54 1 62 ALA O 1 71 LYS N 2.500 2.300 3.200 3.086 2.916 3.196 . 0 0 "[ . 1]" 2
55 1 60 LEU O 1 73 TYR H 1.500 . 2.200 2.169 1.953 2.261 0.061 7 0 "[ . 1]" 2
56 1 60 LEU O 1 73 TYR N 2.500 2.300 3.200 2.937 2.848 3.011 . 0 0 "[ . 1]" 2
57 1 74 ASN H 1 92 VAL O 1.500 . 2.200 1.909 1.813 1.973 . 0 0 "[ . 1]" 2
58 1 74 ASN N 1 92 VAL O 2.500 2.300 3.200 2.703 2.639 2.774 . 0 0 "[ . 1]" 2
59 1 58 LEU O 1 75 VAL H 1.500 . 2.200 2.069 1.979 2.146 . 0 0 "[ . 1]" 2
60 1 58 LEU O 1 75 VAL N 2.500 2.300 3.200 3.028 2.948 3.097 . 0 0 "[ . 1]" 2
61 1 56 TYR O 1 77 VAL H 1.500 . 2.200 1.838 1.722 1.986 . 0 0 "[ . 1]" 2
62 1 56 TYR O 1 77 VAL N 2.500 2.300 3.200 2.782 2.685 2.912 . 0 0 "[ . 1]" 2
63 1 78 LEU H 1 87 LYS O 1.500 . 2.200 1.747 1.660 1.828 . 0 0 "[ . 1]" 2
64 1 78 LEU N 1 87 LYS O 2.500 2.300 3.200 2.692 2.607 2.781 . 0 0 "[ . 1]" 2
65 1 80 LYS H 1 85 SER O 1.500 . 2.200 2.249 2.216 2.279 0.079 8 0 "[ . 1]" 2
66 1 80 LYS N 1 85 SER O 2.500 2.300 3.200 3.149 3.084 3.199 . 0 0 "[ . 1]" 2
67 1 81 ALA O 1 84 ASN H 1.500 . 2.200 2.199 2.100 2.230 0.030 2 0 "[ . 1]" 2
68 1 81 ALA O 1 84 ASN N 2.500 2.300 3.200 2.989 2.932 3.095 . 0 0 "[ . 1]" 2
69 1 80 LYS O 1 85 SER H 1.500 . 2.200 2.252 2.232 2.299 0.099 6 0 "[ . 1]" 2
70 1 80 LYS O 1 85 SER N 2.500 2.300 3.200 3.175 3.111 3.198 . 0 0 "[ . 1]" 2
71 1 78 LEU O 1 87 LYS H 1.500 . 2.200 2.214 2.162 2.253 0.053 7 0 "[ . 1]" 2
72 1 78 LEU O 1 87 LYS N 2.500 2.300 3.200 2.828 2.758 2.885 . 0 0 "[ . 1]" 2
73 1 76 VAL O 1 90 ALA H 1.500 . 2.200 2.228 2.205 2.260 0.060 6 0 "[ . 1]" 2
74 1 76 VAL O 1 90 ALA N 2.500 2.300 3.200 3.156 3.105 3.196 . 0 0 "[ . 1]" 2
75 1 74 ASN O 1 92 VAL H 1.500 . 2.200 2.071 1.953 2.226 0.026 9 0 "[ . 1]" 2
76 1 74 ASN O 1 92 VAL N 2.500 2.300 3.200 2.875 2.797 2.976 . 0 0 "[ . 1]" 2
77 1 72 PHE O 1 94 LEU H 1.500 . 2.200 1.858 1.768 2.007 . 0 0 "[ . 1]" 2
78 1 72 PHE O 1 94 LEU N 2.500 2.300 3.200 2.679 2.621 2.771 . 0 0 "[ . 1]" 2
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