NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432798 |
2jte   |
15407 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jte
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 1026
_Distance_constraint_stats_list.Viol_count 665
_Distance_constraint_stats_list.Viol_total 494.294
_Distance_constraint_stats_list.Viol_max 0.318
_Distance_constraint_stats_list.Viol_rms 0.0093
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0372
_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 2 ALA 0.522 0.110 7 0 "[ . 1 . 2]"
1 3 MET 0.358 0.119 3 0 "[ . 1 . 2]"
1 4 GLY 0.351 0.119 3 0 "[ . 1 . 2]"
1 5 ALA 0.921 0.124 14 0 "[ . 1 . 2]"
1 6 LYS 1.422 0.124 14 0 "[ . 1 . 2]"
1 7 GLU 0.788 0.121 6 0 "[ . 1 . 2]"
1 8 TYR 2.125 0.106 5 0 "[ . 1 . 2]"
1 9 CYS 0.203 0.047 3 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.234 0.046 12 0 "[ . 1 . 2]"
1 12 LEU 0.399 0.059 20 0 "[ . 1 . 2]"
1 13 PHE 0.692 0.084 15 0 "[ . 1 . 2]"
1 14 PRO 0.166 0.044 9 0 "[ . 1 . 2]"
1 15 TYR 0.626 0.059 19 0 "[ . 1 . 2]"
1 16 THR 0.282 0.059 19 0 "[ . 1 . 2]"
1 17 GLY 0.651 0.105 12 0 "[ . 1 . 2]"
1 18 THR 2.780 0.318 4 0 "[ . 1 . 2]"
1 19 ASN 1.881 0.151 6 0 "[ . 1 . 2]"
1 20 GLU 0.223 0.085 16 0 "[ . 1 . 2]"
1 21 ASP 0.294 0.082 13 0 "[ . 1 . 2]"
1 22 GLU 1.019 0.105 12 0 "[ . 1 . 2]"
1 23 LEU 2.690 0.152 20 0 "[ . 1 . 2]"
1 24 THR 0.719 0.104 8 0 "[ . 1 . 2]"
1 25 PHE 0.087 0.036 12 0 "[ . 1 . 2]"
1 26 ARG 0.883 0.106 12 0 "[ . 1 . 2]"
1 27 GLU 1.184 0.095 16 0 "[ . 1 . 2]"
1 28 GLY 0.275 0.065 16 0 "[ . 1 . 2]"
1 29 GLU 0.375 0.061 19 0 "[ . 1 . 2]"
1 30 ILE 0.500 0.047 11 0 "[ . 1 . 2]"
1 31 ILE 1.299 0.106 5 0 "[ . 1 . 2]"
1 32 HIS 0.029 0.015 17 0 "[ . 1 . 2]"
1 33 LEU 0.283 0.036 15 0 "[ . 1 . 2]"
1 34 ILE 0.872 0.102 5 0 "[ . 1 . 2]"
1 35 SER 0.129 0.028 14 0 "[ . 1 . 2]"
1 36 LYS 2.692 0.110 7 0 "[ . 1 . 2]"
1 37 GLU 0.599 0.117 7 0 "[ . 1 . 2]"
1 38 THR 0.705 0.107 7 0 "[ . 1 . 2]"
1 39 GLY 0.743 0.117 7 0 "[ . 1 . 2]"
1 40 GLU 0.153 0.046 20 0 "[ . 1 . 2]"
1 41 ALA 0.024 0.016 8 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TRP 0.285 0.046 20 0 "[ . 1 . 2]"
1 44 TRP 2.027 0.089 10 0 "[ . 1 . 2]"
1 45 LYS 1.339 0.100 6 0 "[ . 1 . 2]"
1 46 GLY 0.032 0.015 15 0 "[ . 1 . 2]"
1 47 GLU 0.301 0.066 15 0 "[ . 1 . 2]"
1 48 LEU 0.210 0.121 1 0 "[ . 1 . 2]"
1 49 ASN 0.149 0.121 1 0 "[ . 1 . 2]"
1 50 GLY 0.450 0.134 15 0 "[ . 1 . 2]"
1 51 LYS 2.057 0.137 15 0 "[ . 1 . 2]"
1 52 GLU 2.848 0.137 15 0 "[ . 1 . 2]"
1 53 GLY 0.809 0.152 20 0 "[ . 1 . 2]"
1 54 VAL 0.409 0.080 3 0 "[ . 1 . 2]"
1 55 PHE 1.239 0.100 6 0 "[ . 1 . 2]"
1 56 PRO 0.193 0.118 4 0 "[ . 1 . 2]"
1 57 ASP 0.046 0.024 18 0 "[ . 1 . 2]"
1 58 ASN 0.390 0.155 12 0 "[ . 1 . 2]"
1 59 PHE 0.105 0.027 19 0 "[ . 1 . 2]"
1 60 ALA 0.136 0.027 7 0 "[ . 1 . 2]"
1 61 VAL 0.076 0.026 1 0 "[ . 1 . 2]"
1 62 GLN 0.537 0.184 13 0 "[ . 1 . 2]"
1 63 ILE 1.144 0.184 13 0 "[ . 1 . 2]"
1 64 SER 1.278 0.134 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 3 MET H 3.520 . 3.520 2.604 2.082 3.525 0.005 3 0 "[ . 1 . 2]" 1
2 1 2 ALA MB 1 3 MET H 4.360 . 4.360 2.943 1.950 3.686 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 36 LYS H 3.660 . 3.660 2.423 1.773 3.351 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA MB 1 36 LYS HB2 2.920 . 2.920 2.393 1.821 2.971 0.051 13 0 "[ . 1 . 2]" 1
5 1 2 ALA MB 1 36 LYS QE 4.120 . 4.120 3.382 1.986 4.191 0.071 19 0 "[ . 1 . 2]" 1
6 1 2 ALA MB 1 36 LYS HG2 4.550 . 4.550 4.280 3.538 4.660 0.110 7 0 "[ . 1 . 2]" 1
7 1 3 MET H 1 3 MET QB 3.690 . 3.690 2.691 2.311 3.344 . 0 0 "[ . 1 . 2]" 1
8 1 3 MET H 1 3 MET HG2 5.500 . 5.500 3.504 2.276 5.066 . 0 0 "[ . 1 . 2]" 1
9 1 3 MET H 1 3 MET QG 4.760 . 4.760 3.185 2.223 4.252 . 0 0 "[ . 1 . 2]" 1
10 1 3 MET H 1 3 MET HG3 5.500 . 5.500 4.009 2.538 4.851 . 0 0 "[ . 1 . 2]" 1
11 1 3 MET HA 1 4 GLY H 3.100 . 3.100 2.562 2.080 3.219 0.119 3 0 "[ . 1 . 2]" 1
12 1 5 ALA H 1 5 ALA MB 2.910 . 2.910 2.461 2.169 2.935 0.025 5 0 "[ . 1 . 2]" 1
13 1 5 ALA H 1 6 LYS H 4.000 . 4.000 2.768 1.824 4.124 0.124 14 0 "[ . 1 . 2]" 1
14 1 5 ALA HA 1 6 LYS H 3.420 . 3.420 3.179 2.423 3.495 0.075 11 0 "[ . 1 . 2]" 1
15 1 5 ALA MB 1 6 LYS H 3.750 . 3.750 2.632 1.741 3.701 . 0 0 "[ . 1 . 2]" 1
16 1 6 LYS H 1 6 LYS HB2 4.120 . 4.120 3.212 2.514 3.899 . 0 0 "[ . 1 . 2]" 1
17 1 6 LYS H 1 6 LYS QB 3.510 . 3.510 2.871 2.399 3.461 . 0 0 "[ . 1 . 2]" 1
18 1 6 LYS H 1 6 LYS HB3 4.120 . 4.120 3.563 2.561 4.143 0.023 15 0 "[ . 1 . 2]" 1
19 1 6 LYS H 1 6 LYS HG2 4.950 . 4.950 3.355 2.191 4.724 . 0 0 "[ . 1 . 2]" 1
20 1 6 LYS H 1 6 LYS QG 4.240 . 4.240 2.810 2.120 4.026 . 0 0 "[ . 1 . 2]" 1
21 1 6 LYS H 1 6 LYS HG3 4.950 . 4.950 3.275 2.351 4.623 . 0 0 "[ . 1 . 2]" 1
22 1 6 LYS HA 1 6 LYS QG 3.700 . 3.700 2.813 2.261 3.390 . 0 0 "[ . 1 . 2]" 1
23 1 6 LYS HA 1 7 GLU H 2.850 . 2.850 2.418 2.018 2.926 0.076 7 0 "[ . 1 . 2]" 1
24 1 6 LYS HA 1 8 TYR QE 5.260 . 5.260 4.215 2.873 5.313 0.053 3 0 "[ . 1 . 2]" 1
25 1 6 LYS QB 1 7 GLU H 4.130 . 4.130 3.748 3.141 3.998 . 0 0 "[ . 1 . 2]" 1
26 1 6 LYS QB 1 8 TYR QE 4.080 . 4.080 3.112 2.065 3.951 . 0 0 "[ . 1 . 2]" 1
27 1 6 LYS HB2 1 7 GLU H 4.790 . 4.790 4.311 3.908 4.538 . 0 0 "[ . 1 . 2]" 1
28 1 6 LYS HB2 1 8 TYR QE 4.930 . 4.930 3.782 2.698 4.940 0.010 8 0 "[ . 1 . 2]" 1
29 1 6 LYS HB3 1 7 GLU H 4.790 . 4.790 4.183 3.250 4.571 . 0 0 "[ . 1 . 2]" 1
30 1 6 LYS HB3 1 8 TYR QE 4.930 . 4.930 3.749 2.076 4.966 0.036 17 0 "[ . 1 . 2]" 1
31 1 6 LYS HG2 1 7 GLU H 5.500 . 5.500 4.809 3.785 5.518 0.018 18 0 "[ . 1 . 2]" 1
32 1 6 LYS HG3 1 7 GLU H 5.500 . 5.500 4.648 3.436 5.576 0.076 5 0 "[ . 1 . 2]" 1
33 1 7 GLU H 1 7 GLU HB2 2.960 . 2.960 2.555 2.372 2.857 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLU H 1 7 GLU HG2 4.200 . 4.200 3.476 2.034 4.196 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLU H 1 7 GLU QG 3.540 . 3.540 2.719 2.023 3.560 0.020 7 0 "[ . 1 . 2]" 1
36 1 7 GLU H 1 7 GLU HG3 4.200 . 4.200 3.165 2.414 3.965 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLU H 1 8 TYR H 5.020 . 5.020 4.362 3.867 4.511 . 0 0 "[ . 1 . 2]" 1
38 1 7 GLU H 1 8 TYR QD 5.050 . 5.050 4.830 3.981 5.129 0.079 20 0 "[ . 1 . 2]" 1
39 1 7 GLU H 1 33 LEU H 5.010 . 5.010 4.097 3.318 4.891 . 0 0 "[ . 1 . 2]" 1
40 1 7 GLU H 1 33 LEU HB3 4.910 . 4.910 3.642 2.801 4.425 . 0 0 "[ . 1 . 2]" 1
41 1 7 GLU HA 1 7 GLU QG 3.720 . 3.720 2.640 2.396 3.271 . 0 0 "[ . 1 . 2]" 1
42 1 7 GLU HA 1 8 TYR H 2.690 . 2.690 2.206 2.072 2.388 . 0 0 "[ . 1 . 2]" 1
43 1 7 GLU HA 1 8 TYR QD 4.710 . 4.710 3.733 3.141 4.405 . 0 0 "[ . 1 . 2]" 1
44 1 7 GLU HB2 1 33 LEU H 4.880 . 4.880 3.830 2.886 4.583 . 0 0 "[ . 1 . 2]" 1
45 1 7 GLU HB2 1 33 LEU HB2 4.070 . 4.070 3.411 2.628 3.875 . 0 0 "[ . 1 . 2]" 1
46 1 7 GLU HB2 1 33 LEU HB3 3.770 . 3.770 2.076 1.847 2.561 . 0 0 "[ . 1 . 2]" 1
47 1 7 GLU HB2 1 33 LEU MD1 4.940 . 4.940 2.656 2.125 3.400 . 0 0 "[ . 1 . 2]" 1
48 1 7 GLU HB3 1 8 TYR H 3.840 . 3.840 3.222 2.764 3.774 . 0 0 "[ . 1 . 2]" 1
49 1 7 GLU HB3 1 33 LEU MD1 4.630 . 4.630 2.484 2.103 2.968 . 0 0 "[ . 1 . 2]" 1
50 1 7 GLU HB3 1 62 GLN HE21 5.500 . 5.500 2.981 1.867 5.279 . 0 0 "[ . 1 . 2]" 1
51 1 7 GLU HB3 1 62 GLN QE 4.410 . 4.410 2.589 1.668 4.531 0.121 6 0 "[ . 1 . 2]" 1
52 1 7 GLU HB3 1 62 GLN HE22 5.500 . 5.500 2.992 1.674 5.075 . 0 0 "[ . 1 . 2]" 1
53 1 7 GLU QG 1 8 TYR H 4.950 . 4.950 4.315 4.000 4.928 . 0 0 "[ . 1 . 2]" 1
54 1 7 GLU QG 1 62 GLN QE 4.490 . 4.490 3.011 2.314 4.415 . 0 0 "[ . 1 . 2]" 1
55 1 8 TYR H 1 8 TYR HB2 3.830 . 3.830 2.911 2.687 3.876 0.046 18 0 "[ . 1 . 2]" 1
56 1 8 TYR H 1 8 TYR HB3 4.070 . 4.070 3.811 3.528 3.909 . 0 0 "[ . 1 . 2]" 1
57 1 8 TYR H 1 8 TYR QD 3.620 . 3.620 2.966 2.478 3.500 . 0 0 "[ . 1 . 2]" 1
58 1 8 TYR H 1 8 TYR QE 5.500 . 5.500 4.814 4.509 5.179 . 0 0 "[ . 1 . 2]" 1
59 1 8 TYR H 1 9 CYS H 4.660 . 4.660 4.340 4.267 4.395 . 0 0 "[ . 1 . 2]" 1
60 1 8 TYR H 1 30 ILE MG 5.500 . 5.500 5.362 5.087 5.527 0.027 8 0 "[ . 1 . 2]" 1
61 1 8 TYR H 1 62 GLN HG2 5.500 . 5.500 4.285 3.135 5.509 0.009 3 0 "[ . 1 . 2]" 1
62 1 8 TYR H 1 62 GLN QG 4.830 . 4.830 3.443 2.958 4.696 . 0 0 "[ . 1 . 2]" 1
63 1 8 TYR H 1 62 GLN HG3 5.500 . 5.500 3.695 3.068 5.091 . 0 0 "[ . 1 . 2]" 1
64 1 8 TYR H 1 63 ILE H 4.750 . 4.750 4.052 3.725 4.692 . 0 0 "[ . 1 . 2]" 1
65 1 8 TYR H 1 63 ILE QG 4.980 . 4.980 4.512 3.038 5.051 0.071 1 0 "[ . 1 . 2]" 1
66 1 8 TYR H 1 64 SER H 4.810 . 4.810 3.056 2.572 4.097 . 0 0 "[ . 1 . 2]" 1
67 1 8 TYR HA 1 8 TYR QD 3.900 . 3.900 3.022 2.686 3.751 . 0 0 "[ . 1 . 2]" 1
68 1 8 TYR HA 1 9 CYS H 3.000 . 3.000 2.168 2.049 2.297 . 0 0 "[ . 1 . 2]" 1
69 1 8 TYR HA 1 30 ILE MG 4.700 . 4.700 3.851 3.442 4.266 . 0 0 "[ . 1 . 2]" 1
70 1 8 TYR HA 1 31 ILE H 5.480 . 5.480 4.528 4.108 5.164 . 0 0 "[ . 1 . 2]" 1
71 1 8 TYR HA 1 32 HIS HA 4.230 . 4.230 2.810 2.368 3.282 . 0 0 "[ . 1 . 2]" 1
72 1 8 TYR HA 1 33 LEU H 4.010 . 4.010 2.699 2.089 3.086 . 0 0 "[ . 1 . 2]" 1
73 1 8 TYR HA 1 33 LEU HB2 4.550 . 4.550 3.516 2.863 4.289 . 0 0 "[ . 1 . 2]" 1
74 1 8 TYR HB2 1 9 CYS H 4.490 . 4.490 3.718 2.520 4.008 . 0 0 "[ . 1 . 2]" 1
75 1 8 TYR HB2 1 30 ILE MG 3.800 . 3.800 3.235 2.187 3.622 . 0 0 "[ . 1 . 2]" 1
76 1 8 TYR HB2 1 31 ILE H 5.500 . 5.500 5.420 3.967 5.606 0.106 5 0 "[ . 1 . 2]" 1
77 1 8 TYR HB2 1 63 ILE H 5.500 . 5.500 4.250 3.746 5.045 . 0 0 "[ . 1 . 2]" 1
78 1 8 TYR HB2 1 63 ILE QG 4.300 . 4.300 3.342 2.175 4.346 0.046 18 0 "[ . 1 . 2]" 1
79 1 8 TYR HB3 1 9 CYS H 3.600 . 3.600 2.952 2.437 3.604 0.004 17 0 "[ . 1 . 2]" 1
80 1 8 TYR HB3 1 30 ILE MG 3.760 . 3.760 2.316 1.918 3.360 . 0 0 "[ . 1 . 2]" 1
81 1 8 TYR HB3 1 31 ILE H 5.500 . 5.500 4.191 3.946 5.500 . 0 0 "[ . 1 . 2]" 1
82 1 8 TYR QD 1 9 CYS H 4.450 . 4.450 4.069 3.860 4.455 0.005 3 0 "[ . 1 . 2]" 1
83 1 8 TYR QD 1 30 ILE MG 3.370 . 3.370 2.600 2.044 3.221 . 0 0 "[ . 1 . 2]" 1
84 1 8 TYR QD 1 32 HIS HA 4.550 . 4.550 2.848 2.083 4.520 . 0 0 "[ . 1 . 2]" 1
85 1 8 TYR QD 1 33 LEU H 5.260 . 5.260 4.254 3.454 5.169 . 0 0 "[ . 1 . 2]" 1
86 1 8 TYR QE 1 30 ILE MG 4.640 . 4.640 4.089 3.623 4.655 0.015 7 0 "[ . 1 . 2]" 1
87 1 9 CYS H 1 9 CYS HB3 4.150 . 4.150 3.413 3.210 3.791 . 0 0 "[ . 1 . 2]" 1
88 1 9 CYS H 1 10 ARG H 4.590 . 4.590 4.365 4.232 4.420 . 0 0 "[ . 1 . 2]" 1
89 1 9 CYS H 1 30 ILE HA 5.130 . 5.130 4.349 4.077 4.680 . 0 0 "[ . 1 . 2]" 1
90 1 9 CYS H 1 30 ILE MG 3.730 . 3.730 3.442 3.141 3.711 . 0 0 "[ . 1 . 2]" 1
91 1 9 CYS H 1 31 ILE H 3.660 . 3.660 2.872 2.631 3.274 . 0 0 "[ . 1 . 2]" 1
92 1 9 CYS H 1 31 ILE HB 4.290 . 4.290 3.226 2.636 3.610 . 0 0 "[ . 1 . 2]" 1
93 1 9 CYS H 1 31 ILE HG13 5.500 . 5.500 4.885 4.156 5.242 . 0 0 "[ . 1 . 2]" 1
94 1 9 CYS H 1 31 ILE MG 5.360 . 5.360 4.185 3.898 4.373 . 0 0 "[ . 1 . 2]" 1
95 1 9 CYS H 1 32 HIS HA 4.930 . 4.930 3.934 3.538 4.392 . 0 0 "[ . 1 . 2]" 1
96 1 9 CYS H 1 33 LEU H 4.840 . 4.840 3.975 3.541 4.254 . 0 0 "[ . 1 . 2]" 1
97 1 9 CYS H 1 33 LEU HB2 5.250 . 5.250 3.971 3.421 4.635 . 0 0 "[ . 1 . 2]" 1
98 1 9 CYS H 1 62 GLN HA 5.310 . 5.310 4.571 4.391 4.903 . 0 0 "[ . 1 . 2]" 1
99 1 9 CYS HA 1 30 ILE MG 5.330 . 5.330 4.726 4.499 4.907 . 0 0 "[ . 1 . 2]" 1
100 1 9 CYS HA 1 31 ILE H 5.500 . 5.500 4.683 4.555 4.919 . 0 0 "[ . 1 . 2]" 1
101 1 9 CYS QB 1 10 ARG H 3.500 . 3.500 2.798 2.518 3.048 . 0 0 "[ . 1 . 2]" 1
102 1 9 CYS QB 1 31 ILE H 5.340 . 5.340 4.288 3.461 4.652 . 0 0 "[ . 1 . 2]" 1
103 1 9 CYS QB 1 60 ALA MB 3.470 . 3.470 2.282 1.976 2.578 . 0 0 "[ . 1 . 2]" 1
104 1 9 CYS QB 1 61 VAL H 4.160 . 4.160 3.315 2.975 3.581 . 0 0 "[ . 1 . 2]" 1
105 1 9 CYS QB 1 62 GLN HA 3.610 . 3.610 2.526 2.094 3.198 . 0 0 "[ . 1 . 2]" 1
106 1 9 CYS QB 1 63 ILE H 4.410 . 4.410 3.871 3.305 4.424 0.014 13 0 "[ . 1 . 2]" 1
107 1 9 CYS HB2 1 10 ARG H 4.210 . 4.210 3.106 2.573 4.016 . 0 0 "[ . 1 . 2]" 1
108 1 9 CYS HB2 1 44 TRP HZ3 4.430 . 4.430 3.639 2.840 4.460 0.030 4 0 "[ . 1 . 2]" 1
109 1 9 CYS HB2 1 60 ALA MB 4.070 . 4.070 2.478 1.988 3.253 . 0 0 "[ . 1 . 2]" 1
110 1 9 CYS HB2 1 61 VAL H 4.990 . 4.990 3.737 3.018 4.971 . 0 0 "[ . 1 . 2]" 1
111 1 9 CYS HB2 1 62 GLN HA 4.350 . 4.350 3.431 2.779 4.397 0.047 3 0 "[ . 1 . 2]" 1
112 1 9 CYS HB3 1 10 ARG H 4.210 . 4.210 3.624 2.592 4.017 . 0 0 "[ . 1 . 2]" 1
113 1 9 CYS HB3 1 44 TRP HZ3 4.400 . 4.400 2.849 2.175 3.856 . 0 0 "[ . 1 . 2]" 1
114 1 9 CYS HB3 1 60 ALA MB 4.070 . 4.070 3.380 2.183 4.010 . 0 0 "[ . 1 . 2]" 1
115 1 9 CYS HB3 1 61 VAL H 4.990 . 4.990 4.469 3.220 5.016 0.026 1 0 "[ . 1 . 2]" 1
116 1 9 CYS HB3 1 62 GLN HA 4.350 . 4.350 2.604 2.151 3.290 . 0 0 "[ . 1 . 2]" 1
117 1 10 ARG H 1 10 ARG HB2 3.880 . 3.880 2.957 2.695 3.191 . 0 0 "[ . 1 . 2]" 1
118 1 10 ARG H 1 10 ARG HB3 3.770 . 3.770 2.608 2.451 2.809 . 0 0 "[ . 1 . 2]" 1
119 1 10 ARG H 1 10 ARG HG2 5.500 . 5.500 4.416 4.287 4.564 . 0 0 "[ . 1 . 2]" 1
120 1 10 ARG H 1 10 ARG QG 4.850 . 4.850 4.030 3.950 4.130 . 0 0 "[ . 1 . 2]" 1
121 1 10 ARG H 1 10 ARG HG3 5.500 . 5.500 4.657 4.561 4.767 . 0 0 "[ . 1 . 2]" 1
122 1 10 ARG H 1 12 LEU MD2 5.500 . 5.500 5.098 4.809 5.307 . 0 0 "[ . 1 . 2]" 1
123 1 10 ARG H 1 30 ILE MD 5.500 . 5.500 4.214 3.667 4.690 . 0 0 "[ . 1 . 2]" 1
124 1 10 ARG H 1 30 ILE MG 5.480 . 5.480 5.073 4.774 5.389 . 0 0 "[ . 1 . 2]" 1
125 1 10 ARG H 1 60 ALA HA 5.500 . 5.500 4.735 4.539 4.969 . 0 0 "[ . 1 . 2]" 1
126 1 10 ARG H 1 60 ALA MB 4.490 . 4.490 3.540 3.177 3.752 . 0 0 "[ . 1 . 2]" 1
127 1 10 ARG H 1 61 VAL H 3.380 . 3.380 2.884 2.590 3.076 . 0 0 "[ . 1 . 2]" 1
128 1 10 ARG H 1 61 VAL MG1 4.860 . 4.860 2.919 2.714 3.099 . 0 0 "[ . 1 . 2]" 1
129 1 10 ARG H 1 61 VAL MG2 4.860 . 4.860 4.626 4.451 4.811 . 0 0 "[ . 1 . 2]" 1
130 1 10 ARG H 1 62 GLN HA 4.430 . 4.430 3.511 3.062 3.813 . 0 0 "[ . 1 . 2]" 1
131 1 10 ARG H 1 63 ILE MD 5.500 . 5.500 3.501 2.860 5.057 . 0 0 "[ . 1 . 2]" 1
132 1 10 ARG HA 1 11 THR H 2.730 . 2.730 2.152 2.059 2.201 . 0 0 "[ . 1 . 2]" 1
133 1 10 ARG HA 1 11 THR MG 4.370 . 4.370 3.565 3.307 4.118 . 0 0 "[ . 1 . 2]" 1
134 1 10 ARG HA 1 29 GLU H 5.060 . 5.060 4.531 4.061 5.054 . 0 0 "[ . 1 . 2]" 1
135 1 10 ARG HA 1 30 ILE HA 3.830 . 3.830 2.542 2.287 2.663 . 0 0 "[ . 1 . 2]" 1
136 1 10 ARG HA 1 30 ILE MD 4.790 . 4.790 2.595 2.169 2.848 . 0 0 "[ . 1 . 2]" 1
137 1 10 ARG HA 1 30 ILE MG 4.480 . 4.480 4.052 3.759 4.320 . 0 0 "[ . 1 . 2]" 1
138 1 10 ARG HA 1 31 ILE H 4.130 . 4.130 3.345 3.074 3.596 . 0 0 "[ . 1 . 2]" 1
139 1 10 ARG HA 1 61 VAL H 5.100 . 5.100 4.677 4.549 4.768 . 0 0 "[ . 1 . 2]" 1
140 1 10 ARG HA 1 61 VAL MG1 5.090 . 5.090 4.602 4.337 4.867 . 0 0 "[ . 1 . 2]" 1
141 1 10 ARG QB 1 30 ILE HA 5.340 . 5.340 3.833 3.496 4.176 . 0 0 "[ . 1 . 2]" 1
142 1 10 ARG QB 1 61 VAL H 4.650 . 4.650 3.721 3.474 3.859 . 0 0 "[ . 1 . 2]" 1
143 1 10 ARG HB2 1 11 THR H 4.590 . 4.590 4.142 3.951 4.253 . 0 0 "[ . 1 . 2]" 1
144 1 10 ARG HB2 1 30 ILE HA 5.140 . 5.140 3.948 3.581 4.343 . 0 0 "[ . 1 . 2]" 1
145 1 10 ARG HB2 1 61 VAL H 5.500 . 5.500 5.113 4.829 5.311 . 0 0 "[ . 1 . 2]" 1
146 1 10 ARG HB3 1 11 THR H 4.590 . 4.590 4.020 3.717 4.192 . 0 0 "[ . 1 . 2]" 1
147 1 10 ARG HB3 1 61 VAL H 5.420 . 5.420 3.823 3.562 3.962 . 0 0 "[ . 1 . 2]" 1
148 1 10 ARG QD 1 30 ILE MD 4.840 . 4.840 2.995 2.194 3.809 . 0 0 "[ . 1 . 2]" 1
149 1 10 ARG HD2 1 11 THR H 5.500 . 5.500 5.137 4.677 5.485 . 0 0 "[ . 1 . 2]" 1
150 1 10 ARG HD2 1 30 ILE MD 5.500 . 5.500 3.308 2.212 4.385 . 0 0 "[ . 1 . 2]" 1
151 1 10 ARG HD3 1 11 THR H 5.500 . 5.500 5.196 4.977 5.405 . 0 0 "[ . 1 . 2]" 1
152 1 10 ARG HD3 1 30 ILE MD 5.500 . 5.500 3.832 2.848 4.390 . 0 0 "[ . 1 . 2]" 1
153 1 10 ARG QG 1 11 THR H 4.280 . 4.280 2.550 2.107 2.835 . 0 0 "[ . 1 . 2]" 1
154 1 10 ARG HG2 1 11 THR H 5.010 . 5.010 2.770 2.131 3.121 . 0 0 "[ . 1 . 2]" 1
155 1 10 ARG HG2 1 29 GLU H 5.500 . 5.500 4.108 2.934 5.024 . 0 0 "[ . 1 . 2]" 1
156 1 10 ARG HG3 1 11 THR H 5.010 . 5.010 3.056 2.633 3.356 . 0 0 "[ . 1 . 2]" 1
157 1 10 ARG HG3 1 29 GLU H 5.500 . 5.500 3.937 3.317 4.846 . 0 0 "[ . 1 . 2]" 1
158 1 11 THR H 1 11 THR MG 2.890 . 2.890 2.218 1.889 2.702 . 0 0 "[ . 1 . 2]" 1
159 1 11 THR H 1 12 LEU MD2 5.410 . 5.410 5.170 4.833 5.342 . 0 0 "[ . 1 . 2]" 1
160 1 11 THR H 1 28 GLY H 4.740 . 4.740 3.711 3.414 4.417 . 0 0 "[ . 1 . 2]" 1
161 1 11 THR H 1 28 GLY HA2 5.500 . 5.500 4.481 3.922 5.184 . 0 0 "[ . 1 . 2]" 1
162 1 11 THR H 1 29 GLU H 3.500 . 3.500 2.985 2.585 3.498 . 0 0 "[ . 1 . 2]" 1
163 1 11 THR H 1 29 GLU HB2 5.440 . 5.440 4.082 3.464 5.363 . 0 0 "[ . 1 . 2]" 1
164 1 11 THR H 1 29 GLU QB 5.010 . 5.010 3.822 3.393 4.900 . 0 0 "[ . 1 . 2]" 1
165 1 11 THR H 1 30 ILE HA 4.380 . 4.380 3.869 3.621 4.205 . 0 0 "[ . 1 . 2]" 1
166 1 11 THR H 1 30 ILE MD 4.600 . 4.600 4.020 3.645 4.357 . 0 0 "[ . 1 . 2]" 1
167 1 11 THR H 1 31 ILE MD 4.980 . 4.980 4.204 3.614 4.651 . 0 0 "[ . 1 . 2]" 1
168 1 11 THR H 1 31 ILE HG13 5.410 . 5.410 3.887 3.293 4.274 . 0 0 "[ . 1 . 2]" 1
169 1 11 THR H 1 60 ALA HA 5.080 . 5.080 4.638 4.429 4.812 . 0 0 "[ . 1 . 2]" 1
170 1 11 THR H 1 60 ALA MB 4.980 . 4.980 4.056 3.742 4.374 . 0 0 "[ . 1 . 2]" 1
171 1 11 THR HA 1 12 LEU H 3.010 . 3.010 2.181 2.076 2.298 . 0 0 "[ . 1 . 2]" 1
172 1 11 THR HA 1 12 LEU MD2 4.740 . 4.740 4.557 4.210 4.754 0.014 6 0 "[ . 1 . 2]" 1
173 1 11 THR HA 1 12 LEU HG 4.020 . 4.020 3.875 3.613 4.043 0.023 2 0 "[ . 1 . 2]" 1
174 1 11 THR HA 1 60 ALA H 5.500 . 5.500 4.761 4.439 5.119 . 0 0 "[ . 1 . 2]" 1
175 1 11 THR HA 1 60 ALA HA 3.340 . 3.340 2.287 2.003 2.710 . 0 0 "[ . 1 . 2]" 1
176 1 11 THR HA 1 60 ALA MB 3.140 . 3.140 2.554 2.266 2.890 . 0 0 "[ . 1 . 2]" 1
177 1 11 THR HA 1 61 VAL H 4.250 . 4.250 3.743 3.496 4.154 . 0 0 "[ . 1 . 2]" 1
178 1 11 THR HA 1 61 VAL MG1 4.970 . 4.970 4.686 4.348 4.975 0.005 9 0 "[ . 1 . 2]" 1
179 1 11 THR HB 1 13 PHE H 4.500 . 4.500 2.930 2.719 3.235 . 0 0 "[ . 1 . 2]" 1
180 1 11 THR MG 1 12 LEU H 4.180 . 4.180 3.825 3.478 4.043 . 0 0 "[ . 1 . 2]" 1
181 1 11 THR MG 1 13 PHE H 4.690 . 4.690 4.199 3.550 4.495 . 0 0 "[ . 1 . 2]" 1
182 1 11 THR MG 1 25 PHE HB2 4.730 . 4.730 2.425 2.077 2.981 . 0 0 "[ . 1 . 2]" 1
183 1 11 THR MG 1 25 PHE QB 3.980 . 3.980 2.222 1.812 2.688 . 0 0 "[ . 1 . 2]" 1
184 1 11 THR MG 1 25 PHE HB3 4.730 . 4.730 3.050 1.828 3.750 . 0 0 "[ . 1 . 2]" 1
185 1 11 THR MG 1 25 PHE QD 4.400 . 4.400 2.563 2.204 3.251 . 0 0 "[ . 1 . 2]" 1
186 1 11 THR MG 1 26 ARG H 4.960 . 4.960 3.969 3.177 4.519 . 0 0 "[ . 1 . 2]" 1
187 1 11 THR MG 1 28 GLY H 4.700 . 4.700 4.070 3.446 4.746 0.046 12 0 "[ . 1 . 2]" 1
188 1 11 THR MG 1 29 GLU H 4.130 . 4.130 3.263 2.734 4.151 0.021 12 0 "[ . 1 . 2]" 1
189 1 11 THR MG 1 29 GLU HB2 4.780 . 4.780 2.851 1.997 4.786 0.006 14 0 "[ . 1 . 2]" 1
190 1 11 THR MG 1 29 GLU QB 4.010 . 4.010 2.660 1.978 4.048 0.038 19 0 "[ . 1 . 2]" 1
191 1 11 THR MG 1 29 GLU HB3 4.780 . 4.780 3.814 2.992 4.798 0.018 12 0 "[ . 1 . 2]" 1
192 1 11 THR MG 1 31 ILE H 4.930 . 4.930 4.206 3.625 4.904 . 0 0 "[ . 1 . 2]" 1
193 1 11 THR MG 1 31 ILE MD 3.180 . 3.180 2.051 1.811 2.181 . 0 0 "[ . 1 . 2]" 1
194 1 11 THR MG 1 31 ILE HG12 4.000 . 4.000 3.429 2.716 3.821 . 0 0 "[ . 1 . 2]" 1
195 1 11 THR MG 1 31 ILE HG13 3.920 . 3.920 2.528 2.287 3.004 . 0 0 "[ . 1 . 2]" 1
196 1 11 THR MG 1 60 ALA HA 4.630 . 4.630 3.898 3.482 4.476 . 0 0 "[ . 1 . 2]" 1
197 1 11 THR MG 1 60 ALA MB 3.640 . 3.640 2.742 2.133 3.543 . 0 0 "[ . 1 . 2]" 1
198 1 12 LEU H 1 12 LEU HB2 3.420 . 3.420 2.478 2.435 2.558 . 0 0 "[ . 1 . 2]" 1
199 1 12 LEU H 1 12 LEU MD1 4.170 . 4.170 3.816 3.692 3.985 . 0 0 "[ . 1 . 2]" 1
200 1 12 LEU H 1 12 LEU MD2 4.440 . 4.440 3.624 3.403 3.770 . 0 0 "[ . 1 . 2]" 1
201 1 12 LEU H 1 12 LEU HG 3.470 . 3.470 2.695 2.487 2.947 . 0 0 "[ . 1 . 2]" 1
202 1 12 LEU H 1 13 PHE H 2.990 . 2.990 2.047 1.863 2.232 . 0 0 "[ . 1 . 2]" 1
203 1 12 LEU H 1 60 ALA H 5.040 . 5.040 4.382 4.175 4.523 . 0 0 "[ . 1 . 2]" 1
204 1 12 LEU H 1 60 ALA HA 3.380 . 3.380 2.357 2.037 2.576 . 0 0 "[ . 1 . 2]" 1
205 1 12 LEU H 1 60 ALA MB 4.320 . 4.320 3.627 3.372 3.825 . 0 0 "[ . 1 . 2]" 1
206 1 12 LEU H 1 61 VAL H 4.880 . 4.880 4.227 3.936 4.471 . 0 0 "[ . 1 . 2]" 1
207 1 12 LEU HA 1 12 LEU HG 4.170 . 4.170 3.149 3.078 3.267 . 0 0 "[ . 1 . 2]" 1
208 1 12 LEU HA 1 28 GLY H 5.110 . 5.110 4.415 3.726 5.169 0.059 20 0 "[ . 1 . 2]" 1
209 1 12 LEU HB2 1 12 LEU MD1 2.830 . 2.830 2.305 2.264 2.350 . 0 0 "[ . 1 . 2]" 1
210 1 12 LEU HB2 1 13 PHE H 3.610 . 3.610 3.118 3.055 3.337 . 0 0 "[ . 1 . 2]" 1
211 1 12 LEU MD1 1 13 PHE H 5.340 . 5.340 4.873 4.804 5.058 . 0 0 "[ . 1 . 2]" 1
212 1 12 LEU MD1 1 13 PHE QD 4.720 . 4.720 3.831 3.629 4.128 . 0 0 "[ . 1 . 2]" 1
213 1 12 LEU MD1 1 60 ALA H 4.460 . 4.460 3.969 3.189 4.487 0.027 10 0 "[ . 1 . 2]" 1
214 1 12 LEU MD1 1 60 ALA HA 4.370 . 4.370 3.646 3.303 3.924 . 0 0 "[ . 1 . 2]" 1
215 1 12 LEU MD1 1 61 VAL H 4.910 . 4.910 3.835 3.519 4.099 . 0 0 "[ . 1 . 2]" 1
216 1 12 LEU MD1 1 61 VAL HB 4.010 . 4.010 2.065 1.898 2.263 . 0 0 "[ . 1 . 2]" 1
217 1 12 LEU MD2 1 13 PHE H 5.500 . 5.500 4.689 4.571 4.754 . 0 0 "[ . 1 . 2]" 1
218 1 12 LEU MD2 1 60 ALA HA 4.720 . 4.720 4.086 3.698 4.402 . 0 0 "[ . 1 . 2]" 1
219 1 12 LEU MD2 1 61 VAL H 5.490 . 5.490 3.813 3.440 4.107 . 0 0 "[ . 1 . 2]" 1
220 1 12 LEU MD2 1 61 VAL HB 4.210 . 4.210 2.862 2.267 3.480 . 0 0 "[ . 1 . 2]" 1
221 1 12 LEU HG 1 13 PHE H 4.500 . 4.500 4.454 4.301 4.531 0.031 4 0 "[ . 1 . 2]" 1
222 1 12 LEU HG 1 60 ALA H 5.440 . 5.440 4.509 3.973 4.991 . 0 0 "[ . 1 . 2]" 1
223 1 12 LEU HG 1 60 ALA HA 3.640 . 3.640 2.602 2.189 2.948 . 0 0 "[ . 1 . 2]" 1
224 1 12 LEU HG 1 61 VAL H 4.200 . 4.200 3.019 2.645 3.357 . 0 0 "[ . 1 . 2]" 1
225 1 12 LEU HG 1 61 VAL HB 4.420 . 4.420 3.133 2.875 3.443 . 0 0 "[ . 1 . 2]" 1
226 1 13 PHE H 1 13 PHE HB2 3.940 . 3.940 2.782 2.662 2.959 . 0 0 "[ . 1 . 2]" 1
227 1 13 PHE H 1 13 PHE QB 3.350 . 3.350 2.720 2.611 2.880 . 0 0 "[ . 1 . 2]" 1
228 1 13 PHE H 1 13 PHE HB3 3.940 . 3.940 3.846 3.770 3.946 0.006 9 0 "[ . 1 . 2]" 1
229 1 13 PHE H 1 13 PHE QD 4.410 . 4.410 3.289 2.979 3.537 . 0 0 "[ . 1 . 2]" 1
230 1 13 PHE H 1 14 PRO HD2 5.400 . 5.400 4.968 4.800 5.243 . 0 0 "[ . 1 . 2]" 1
231 1 13 PHE H 1 14 PRO HD3 5.500 . 5.500 4.662 4.362 4.797 . 0 0 "[ . 1 . 2]" 1
232 1 13 PHE H 1 27 GLU HA 4.350 . 4.350 3.930 3.580 4.185 . 0 0 "[ . 1 . 2]" 1
233 1 13 PHE H 1 28 GLY H 5.500 . 5.500 4.939 4.134 5.565 0.065 16 0 "[ . 1 . 2]" 1
234 1 13 PHE H 1 59 PHE HA 5.260 . 5.260 4.044 3.611 4.547 . 0 0 "[ . 1 . 2]" 1
235 1 13 PHE H 1 59 PHE QD 4.770 . 4.770 4.228 3.856 4.608 . 0 0 "[ . 1 . 2]" 1
236 1 13 PHE H 1 60 ALA HA 5.110 . 5.110 4.252 3.856 4.545 . 0 0 "[ . 1 . 2]" 1
237 1 13 PHE HA 1 13 PHE QD 3.630 . 3.630 2.906 2.645 3.050 . 0 0 "[ . 1 . 2]" 1
238 1 13 PHE HA 1 14 PRO HD2 3.550 . 3.550 2.577 2.270 2.868 . 0 0 "[ . 1 . 2]" 1
239 1 13 PHE HA 1 14 PRO HD3 3.740 . 3.740 2.212 1.949 2.438 . 0 0 "[ . 1 . 2]" 1
240 1 13 PHE HA 1 27 GLU H 5.410 . 5.410 5.385 5.128 5.494 0.084 15 0 "[ . 1 . 2]" 1
241 1 13 PHE HA 1 27 GLU HB2 5.090 . 5.090 3.191 2.827 3.488 . 0 0 "[ . 1 . 2]" 1
242 1 13 PHE HA 1 27 GLU QB 4.270 . 4.270 3.146 2.800 3.434 . 0 0 "[ . 1 . 2]" 1
243 1 13 PHE HA 1 27 GLU HB3 5.090 . 5.090 4.787 4.362 5.131 0.041 12 0 "[ . 1 . 2]" 1
244 1 13 PHE QB 1 14 PRO HD2 3.980 . 3.980 2.415 2.066 2.928 . 0 0 "[ . 1 . 2]" 1
245 1 13 PHE QB 1 59 PHE QD 3.960 . 3.960 1.995 1.877 2.359 . 0 0 "[ . 1 . 2]" 1
246 1 13 PHE QB 1 59 PHE QE 4.460 . 4.460 3.400 2.878 3.800 . 0 0 "[ . 1 . 2]" 1
247 1 13 PHE QD 1 14 PRO HD2 4.280 . 4.280 3.228 2.839 3.746 . 0 0 "[ . 1 . 2]" 1
248 1 14 PRO HA 1 15 TYR H 2.770 . 2.770 2.233 2.086 2.397 . 0 0 "[ . 1 . 2]" 1
249 1 14 PRO HB2 1 15 TYR H 3.690 . 3.690 3.276 2.678 3.734 0.044 9 0 "[ . 1 . 2]" 1
250 1 14 PRO HB2 1 26 ARG HA 4.870 . 4.870 3.429 2.982 4.106 . 0 0 "[ . 1 . 2]" 1
251 1 14 PRO HB3 1 26 ARG HA 4.600 . 4.600 2.353 2.049 2.944 . 0 0 "[ . 1 . 2]" 1
252 1 14 PRO HB3 1 27 GLU H 3.670 . 3.670 2.848 2.369 3.683 0.013 3 0 "[ . 1 . 2]" 1
253 1 14 PRO HD3 1 27 GLU H 4.340 . 4.340 4.078 3.611 4.357 0.017 19 0 "[ . 1 . 2]" 1
254 1 14 PRO HD3 1 27 GLU HB2 4.430 . 4.430 2.242 2.015 2.579 . 0 0 "[ . 1 . 2]" 1
255 1 14 PRO HD3 1 27 GLU QB 3.730 . 3.730 2.225 2.006 2.549 . 0 0 "[ . 1 . 2]" 1
256 1 14 PRO HD3 1 27 GLU HB3 4.430 . 4.430 3.747 3.405 4.039 . 0 0 "[ . 1 . 2]" 1
257 1 14 PRO HD3 1 27 GLU HG2 5.500 . 5.500 4.531 3.699 5.214 . 0 0 "[ . 1 . 2]" 1
258 1 14 PRO HD3 1 27 GLU QG 4.830 . 4.830 3.498 2.944 4.448 . 0 0 "[ . 1 . 2]" 1
259 1 14 PRO HD3 1 27 GLU HG3 5.500 . 5.500 3.691 2.993 5.515 0.015 12 0 "[ . 1 . 2]" 1
260 1 14 PRO QG 1 15 TYR H 4.820 . 4.820 4.532 4.114 4.861 0.041 19 0 "[ . 1 . 2]" 1
261 1 15 TYR H 1 15 TYR HB2 3.960 . 3.960 3.237 3.009 3.433 . 0 0 "[ . 1 . 2]" 1
262 1 15 TYR H 1 15 TYR HB3 3.560 . 3.560 2.771 2.596 2.908 . 0 0 "[ . 1 . 2]" 1
263 1 15 TYR H 1 15 TYR QD 4.760 . 4.760 4.375 4.260 4.441 . 0 0 "[ . 1 . 2]" 1
264 1 15 TYR H 1 16 THR H 4.740 . 4.740 4.189 4.028 4.391 . 0 0 "[ . 1 . 2]" 1
265 1 15 TYR H 1 24 THR MG 4.440 . 4.440 4.246 3.900 4.494 0.054 17 0 "[ . 1 . 2]" 1
266 1 15 TYR H 1 25 PHE H 3.930 . 3.930 2.892 2.629 3.250 . 0 0 "[ . 1 . 2]" 1
267 1 15 TYR H 1 25 PHE QD 5.150 . 5.150 3.504 2.804 4.816 . 0 0 "[ . 1 . 2]" 1
268 1 15 TYR HA 1 15 TYR QD 3.610 . 3.610 2.674 2.475 2.990 . 0 0 "[ . 1 . 2]" 1
269 1 15 TYR HA 1 16 THR H 2.740 . 2.740 2.146 2.074 2.237 . 0 0 "[ . 1 . 2]" 1
270 1 15 TYR HB2 1 16 THR H 4.510 . 4.510 4.192 4.039 4.345 . 0 0 "[ . 1 . 2]" 1
271 1 15 TYR HB2 1 25 PHE H 5.240 . 5.240 4.736 4.297 5.263 0.023 17 0 "[ . 1 . 2]" 1
272 1 15 TYR HB2 1 59 PHE QD 3.960 . 3.960 3.088 2.298 3.799 . 0 0 "[ . 1 . 2]" 1
273 1 15 TYR HB2 1 59 PHE QE 4.630 . 4.630 3.940 2.957 4.657 0.027 19 0 "[ . 1 . 2]" 1
274 1 15 TYR HB3 1 16 THR H 4.290 . 4.290 4.141 4.008 4.271 . 0 0 "[ . 1 . 2]" 1
275 1 15 TYR HB3 1 25 PHE H 4.650 . 4.650 3.190 2.704 3.739 . 0 0 "[ . 1 . 2]" 1
276 1 15 TYR QD 1 16 THR H 3.770 . 3.770 3.448 3.168 3.664 . 0 0 "[ . 1 . 2]" 1
277 1 15 TYR QD 1 17 GLY H 4.810 . 4.810 4.352 3.815 4.724 . 0 0 "[ . 1 . 2]" 1
278 1 15 TYR QD 1 22 GLU QG 4.610 . 4.610 3.891 3.477 4.648 0.038 14 0 "[ . 1 . 2]" 1
279 1 15 TYR QD 1 24 THR HA 4.510 . 4.510 3.484 3.202 4.057 . 0 0 "[ . 1 . 2]" 1
280 1 15 TYR QD 1 25 PHE H 4.480 . 4.480 3.848 3.539 4.074 . 0 0 "[ . 1 . 2]" 1
281 1 15 TYR QD 1 59 PHE QD 4.250 . 4.250 3.632 3.234 4.047 . 0 0 "[ . 1 . 2]" 1
282 1 15 TYR QD 1 59 PHE QE 4.130 . 4.130 3.043 2.638 3.497 . 0 0 "[ . 1 . 2]" 1
283 1 15 TYR QD 1 59 PHE HZ 4.730 . 4.730 3.517 2.891 4.653 . 0 0 "[ . 1 . 2]" 1
284 1 15 TYR QE 1 16 THR H 4.640 . 4.640 4.491 4.142 4.699 0.059 19 0 "[ . 1 . 2]" 1
285 1 15 TYR QE 1 17 GLY H 5.110 . 5.110 4.855 4.360 5.145 0.035 7 0 "[ . 1 . 2]" 1
286 1 15 TYR QE 1 17 GLY HA2 4.690 . 4.690 3.268 2.737 3.895 . 0 0 "[ . 1 . 2]" 1
287 1 15 TYR QE 1 17 GLY QA 3.940 . 3.940 3.149 2.661 3.697 . 0 0 "[ . 1 . 2]" 1
288 1 15 TYR QE 1 17 GLY HA3 4.690 . 4.690 4.193 3.629 4.601 . 0 0 "[ . 1 . 2]" 1
289 1 15 TYR QE 1 18 THR H 5.500 . 5.500 4.728 3.893 5.505 0.005 15 0 "[ . 1 . 2]" 1
290 1 15 TYR QE 1 22 GLU HB3 4.730 . 4.730 4.073 2.099 4.740 0.010 16 0 "[ . 1 . 2]" 1
291 1 15 TYR QE 1 22 GLU HG2 4.180 . 4.180 2.277 1.985 2.584 . 0 0 "[ . 1 . 2]" 1
292 1 15 TYR QE 1 22 GLU QG 4.200 . 4.200 2.169 1.943 2.542 . 0 0 "[ . 1 . 2]" 1
293 1 15 TYR QE 1 22 GLU HG3 4.180 . 4.180 2.929 2.275 4.211 0.031 12 0 "[ . 1 . 2]" 1
294 1 15 TYR QE 1 23 LEU H 5.130 . 5.130 3.945 3.444 4.704 . 0 0 "[ . 1 . 2]" 1
295 1 15 TYR QE 1 54 VAL MG2 5.440 . 5.440 4.909 4.405 5.446 0.006 17 0 "[ . 1 . 2]" 1
296 1 15 TYR QE 1 55 PHE HA 5.160 . 5.160 3.376 2.952 3.956 . 0 0 "[ . 1 . 2]" 1
297 1 15 TYR QE 1 55 PHE HB2 5.020 . 5.020 4.195 3.478 5.006 . 0 0 "[ . 1 . 2]" 1
298 1 16 THR H 1 16 THR HB 3.160 . 3.160 2.565 2.436 2.664 . 0 0 "[ . 1 . 2]" 1
299 1 16 THR H 1 16 THR MG 4.000 . 4.000 3.802 3.745 3.859 . 0 0 "[ . 1 . 2]" 1
300 1 16 THR H 1 17 GLY H 4.360 . 4.360 4.330 4.187 4.410 0.050 17 0 "[ . 1 . 2]" 1
301 1 16 THR H 1 24 THR MG 4.710 . 4.710 4.342 4.051 4.499 . 0 0 "[ . 1 . 2]" 1
302 1 16 THR HA 1 16 THR MG 3.230 . 3.230 2.340 2.297 2.416 . 0 0 "[ . 1 . 2]" 1
303 1 16 THR HA 1 17 GLY H 2.640 . 2.640 2.162 2.115 2.230 . 0 0 "[ . 1 . 2]" 1
304 1 16 THR HA 1 24 THR HA 3.930 . 3.930 2.838 2.329 3.294 . 0 0 "[ . 1 . 2]" 1
305 1 16 THR HA 1 24 THR MG 3.070 . 3.070 1.922 1.799 2.028 . 0 0 "[ . 1 . 2]" 1
306 1 16 THR HA 1 25 PHE H 4.770 . 4.770 3.763 3.340 4.208 . 0 0 "[ . 1 . 2]" 1
307 1 16 THR HB 1 17 GLY H 4.570 . 4.570 4.210 4.078 4.371 . 0 0 "[ . 1 . 2]" 1
308 1 16 THR MG 1 17 GLY H 3.300 . 3.300 2.854 2.573 3.120 . 0 0 "[ . 1 . 2]" 1
309 1 16 THR MG 1 18 THR H 5.390 . 5.390 4.636 4.091 5.003 . 0 0 "[ . 1 . 2]" 1
310 1 16 THR MG 1 18 THR HA 4.490 . 4.490 3.889 3.612 4.209 . 0 0 "[ . 1 . 2]" 1
311 1 16 THR MG 1 24 THR MG 3.240 . 3.240 2.540 2.133 2.972 . 0 0 "[ . 1 . 2]" 1
312 1 17 GLY H 1 22 GLU HB3 5.500 . 5.500 4.850 3.754 5.507 0.007 20 0 "[ . 1 . 2]" 1
313 1 17 GLY H 1 22 GLU QG 5.340 . 5.340 4.504 3.982 5.445 0.105 12 0 "[ . 1 . 2]" 1
314 1 17 GLY H 1 24 THR H 4.930 . 4.930 4.101 3.674 4.724 . 0 0 "[ . 1 . 2]" 1
315 1 17 GLY H 1 24 THR HA 3.340 . 3.340 2.591 2.182 3.203 . 0 0 "[ . 1 . 2]" 1
316 1 17 GLY H 1 24 THR MG 3.580 . 3.580 2.821 2.306 3.452 . 0 0 "[ . 1 . 2]" 1
317 1 17 GLY H 1 25 PHE H 5.310 . 5.310 4.479 4.129 5.025 . 0 0 "[ . 1 . 2]" 1
318 1 17 GLY QA 1 18 THR H 2.700 . 2.700 2.129 2.043 2.260 . 0 0 "[ . 1 . 2]" 1
319 1 17 GLY QA 1 22 GLU H 4.950 . 4.950 4.187 3.829 4.561 . 0 0 "[ . 1 . 2]" 1
320 1 17 GLY QA 1 22 GLU HB3 3.780 . 3.780 2.520 2.079 2.890 . 0 0 "[ . 1 . 2]" 1
321 1 17 GLY HA2 1 18 THR H 3.400 . 3.400 2.172 2.068 2.342 . 0 0 "[ . 1 . 2]" 1
322 1 17 GLY HA2 1 19 ASN H 4.130 . 4.130 3.492 3.280 3.912 . 0 0 "[ . 1 . 2]" 1
323 1 17 GLY HA2 1 22 GLU H 5.500 . 5.500 5.275 4.926 5.538 0.038 15 0 "[ . 1 . 2]" 1
324 1 17 GLY HA2 1 22 GLU HB3 4.560 . 4.560 2.992 2.592 3.268 . 0 0 "[ . 1 . 2]" 1
325 1 17 GLY HA3 1 18 THR H 3.400 . 3.400 3.094 2.880 3.316 . 0 0 "[ . 1 . 2]" 1
326 1 17 GLY HA3 1 19 ASN H 4.130 . 4.130 3.489 2.953 4.028 . 0 0 "[ . 1 . 2]" 1
327 1 17 GLY HA3 1 22 GLU H 5.500 . 5.500 4.400 3.992 4.862 . 0 0 "[ . 1 . 2]" 1
328 1 17 GLY HA3 1 22 GLU HB2 4.660 . 4.660 3.983 2.040 4.710 0.050 20 0 "[ . 1 . 2]" 1
329 1 17 GLY HA3 1 22 GLU HB3 4.370 . 4.370 2.745 2.142 3.222 . 0 0 "[ . 1 . 2]" 1
330 1 18 THR H 1 18 THR HB 3.950 . 3.950 3.164 2.169 3.684 . 0 0 "[ . 1 . 2]" 1
331 1 18 THR H 1 18 THR MG 3.140 . 3.140 2.604 1.997 3.458 0.318 4 0 "[ . 1 . 2]" 1
332 1 18 THR H 1 19 ASN H 2.830 . 2.830 2.048 1.906 2.235 . 0 0 "[ . 1 . 2]" 1
333 1 18 THR H 1 19 ASN HB2 5.500 . 5.500 4.463 4.037 5.651 0.151 6 0 "[ . 1 . 2]" 1
334 1 18 THR H 1 19 ASN QB 5.340 . 5.340 4.066 3.375 4.513 . 0 0 "[ . 1 . 2]" 1
335 1 18 THR H 1 19 ASN HB3 5.500 . 5.500 5.189 3.588 5.627 0.127 12 0 "[ . 1 . 2]" 1
336 1 18 THR H 1 19 ASN QD 5.340 . 5.340 3.933 2.837 5.430 0.090 16 0 "[ . 1 . 2]" 1
337 1 18 THR H 1 22 GLU H 5.500 . 5.500 5.276 4.532 5.516 0.016 2 0 "[ . 1 . 2]" 1
338 1 18 THR H 1 22 GLU HB2 5.280 . 5.280 3.983 2.976 4.519 . 0 0 "[ . 1 . 2]" 1
339 1 18 THR H 1 22 GLU HB3 4.380 . 4.380 3.281 2.766 4.048 . 0 0 "[ . 1 . 2]" 1
340 1 18 THR H 1 22 GLU QG 5.340 . 5.340 3.458 3.055 4.458 . 0 0 "[ . 1 . 2]" 1
341 1 18 THR HA 1 19 ASN H 3.540 . 3.540 3.296 3.061 3.433 . 0 0 "[ . 1 . 2]" 1
342 1 18 THR MG 1 19 ASN H 4.010 . 4.010 3.589 2.578 4.062 0.052 7 0 "[ . 1 . 2]" 1
343 1 19 ASN H 1 19 ASN QB 3.610 . 3.610 2.545 2.082 3.239 . 0 0 "[ . 1 . 2]" 1
344 1 19 ASN H 1 19 ASN QD 4.670 . 4.670 3.112 2.246 4.470 . 0 0 "[ . 1 . 2]" 1
345 1 19 ASN H 1 20 GLU H 4.710 . 4.710 4.412 4.260 4.545 . 0 0 "[ . 1 . 2]" 1
346 1 19 ASN H 1 22 GLU HB2 4.330 . 4.330 3.358 2.887 4.290 . 0 0 "[ . 1 . 2]" 1
347 1 19 ASN H 1 22 GLU HB3 4.940 . 4.940 2.784 1.995 4.743 . 0 0 "[ . 1 . 2]" 1
348 1 19 ASN HA 1 20 GLU H 2.850 . 2.850 2.418 2.189 2.611 . 0 0 "[ . 1 . 2]" 1
349 1 19 ASN HA 1 21 ASP H 4.800 . 4.800 4.123 3.691 4.649 . 0 0 "[ . 1 . 2]" 1
350 1 19 ASN QB 1 20 GLU H 3.430 . 3.430 2.611 2.068 3.515 0.085 16 0 "[ . 1 . 2]" 1
351 1 19 ASN QB 1 21 ASP H 4.190 . 4.190 2.714 2.074 3.704 . 0 0 "[ . 1 . 2]" 1
352 1 19 ASN QB 1 22 GLU H 4.740 . 4.740 2.991 2.084 4.035 . 0 0 "[ . 1 . 2]" 1
353 1 19 ASN HB2 1 20 GLU H 4.130 . 4.130 3.455 2.256 4.036 . 0 0 "[ . 1 . 2]" 1
354 1 19 ASN HB2 1 21 ASP H 4.880 . 4.880 3.357 2.225 4.702 . 0 0 "[ . 1 . 2]" 1
355 1 19 ASN HB2 1 22 GLU H 5.500 . 5.500 3.269 2.149 4.685 . 0 0 "[ . 1 . 2]" 1
356 1 19 ASN HB3 1 20 GLU H 4.130 . 4.130 2.976 2.095 4.054 . 0 0 "[ . 1 . 2]" 1
357 1 19 ASN HB3 1 21 ASP H 4.880 . 4.880 3.125 2.330 4.883 0.003 3 0 "[ . 1 . 2]" 1
358 1 19 ASN QD 1 22 GLU H 5.010 . 5.010 4.218 2.696 4.917 . 0 0 "[ . 1 . 2]" 1
359 1 19 ASN QD 1 22 GLU HB2 4.410 . 4.410 2.945 1.951 4.428 0.018 13 0 "[ . 1 . 2]" 1
360 1 20 GLU H 1 20 GLU QB 3.580 . 3.580 2.513 2.179 2.856 . 0 0 "[ . 1 . 2]" 1
361 1 20 GLU H 1 20 GLU HB3 4.190 . 4.190 3.108 2.346 3.680 . 0 0 "[ . 1 . 2]" 1
362 1 20 GLU H 1 20 GLU QG 3.880 . 3.880 2.472 1.973 3.919 0.039 16 0 "[ . 1 . 2]" 1
363 1 20 GLU HA 1 21 ASP H 3.530 . 3.530 3.377 3.004 3.530 0.000 2 0 "[ . 1 . 2]" 1
364 1 20 GLU HA 1 22 GLU H 4.380 . 4.380 3.613 3.144 3.926 . 0 0 "[ . 1 . 2]" 1
365 1 20 GLU QG 1 21 ASP H 4.540 . 4.540 3.529 2.098 4.601 0.061 10 0 "[ . 1 . 2]" 1
366 1 20 GLU HG2 1 21 ASP H 5.360 . 5.360 4.141 2.619 5.209 . 0 0 "[ . 1 . 2]" 1
367 1 20 GLU HG3 1 21 ASP H 5.360 . 5.360 4.023 2.152 5.262 . 0 0 "[ . 1 . 2]" 1
368 1 21 ASP H 1 21 ASP QB 3.120 . 3.120 2.435 2.217 2.840 . 0 0 "[ . 1 . 2]" 1
369 1 21 ASP H 1 22 GLU H 3.030 . 3.030 2.366 2.066 2.612 . 0 0 "[ . 1 . 2]" 1
370 1 21 ASP H 1 22 GLU HB3 5.500 . 5.500 4.675 4.173 5.582 0.082 13 0 "[ . 1 . 2]" 1
371 1 21 ASP QB 1 22 GLU H 4.360 . 4.360 3.280 2.615 3.947 . 0 0 "[ . 1 . 2]" 1
372 1 21 ASP HB2 1 22 GLU H 5.080 . 5.080 3.984 3.074 4.430 . 0 0 "[ . 1 . 2]" 1
373 1 21 ASP HB3 1 22 GLU H 5.080 . 5.080 3.664 2.659 4.495 . 0 0 "[ . 1 . 2]" 1
374 1 22 GLU H 1 22 GLU HB2 3.150 . 3.150 2.637 2.177 2.902 . 0 0 "[ . 1 . 2]" 1
375 1 22 GLU H 1 22 GLU HB3 4.070 . 4.070 2.668 2.338 3.590 . 0 0 "[ . 1 . 2]" 1
376 1 22 GLU H 1 23 LEU H 4.890 . 4.890 4.373 4.179 4.526 . 0 0 "[ . 1 . 2]" 1
377 1 22 GLU H 1 53 GLY HA3 5.500 . 5.500 4.944 4.371 5.430 . 0 0 "[ . 1 . 2]" 1
378 1 22 GLU H 1 54 VAL H 5.020 . 5.020 4.580 4.227 4.957 . 0 0 "[ . 1 . 2]" 1
379 1 22 GLU H 1 54 VAL MG2 4.850 . 4.850 4.309 3.809 4.724 . 0 0 "[ . 1 . 2]" 1
380 1 22 GLU HA 1 22 GLU QG 3.740 . 3.740 2.463 2.383 2.545 . 0 0 "[ . 1 . 2]" 1
381 1 22 GLU HA 1 23 LEU H 2.860 . 2.860 2.215 2.120 2.398 . 0 0 "[ . 1 . 2]" 1
382 1 22 GLU HA 1 53 GLY HA3 4.840 . 4.840 3.851 3.426 4.424 . 0 0 "[ . 1 . 2]" 1
383 1 22 GLU HA 1 54 VAL H 3.070 . 3.070 2.490 2.013 3.064 . 0 0 "[ . 1 . 2]" 1
384 1 22 GLU HA 1 54 VAL MG2 3.660 . 3.660 2.573 2.236 3.100 . 0 0 "[ . 1 . 2]" 1
385 1 22 GLU HB3 1 23 LEU H 4.300 . 4.300 3.848 2.486 4.268 . 0 0 "[ . 1 . 2]" 1
386 1 22 GLU QG 1 23 LEU H 3.750 . 3.750 3.114 2.553 3.806 0.056 8 0 "[ . 1 . 2]" 1
387 1 22 GLU QG 1 43 TRP HH2 5.340 . 5.340 3.732 2.984 4.101 . 0 0 "[ . 1 . 2]" 1
388 1 22 GLU QG 1 43 TRP HZ3 4.670 . 4.670 2.605 2.080 2.929 . 0 0 "[ . 1 . 2]" 1
389 1 22 GLU QG 1 55 PHE HA 4.610 . 4.610 3.642 3.311 4.285 . 0 0 "[ . 1 . 2]" 1
390 1 22 GLU HG2 1 43 TRP HH2 5.500 . 5.500 4.858 3.207 5.517 0.017 19 0 "[ . 1 . 2]" 1
391 1 22 GLU HG3 1 43 TRP HH2 5.500 . 5.500 4.030 3.138 4.737 . 0 0 "[ . 1 . 2]" 1
392 1 23 LEU H 1 23 LEU HB2 3.590 . 3.590 2.402 2.165 2.908 . 0 0 "[ . 1 . 2]" 1
393 1 23 LEU H 1 23 LEU HB3 3.590 . 3.590 2.901 2.579 3.500 . 0 0 "[ . 1 . 2]" 1
394 1 23 LEU H 1 24 THR H 4.610 . 4.610 4.471 4.253 4.585 . 0 0 "[ . 1 . 2]" 1
395 1 23 LEU H 1 43 TRP HZ3 5.500 . 5.500 4.934 4.550 5.506 0.006 9 0 "[ . 1 . 2]" 1
396 1 23 LEU H 1 53 GLY HA2 5.500 . 5.500 4.944 4.248 5.564 0.064 20 0 "[ . 1 . 2]" 1
397 1 23 LEU H 1 53 GLY HA3 4.130 . 4.130 3.523 3.016 4.090 . 0 0 "[ . 1 . 2]" 1
398 1 23 LEU H 1 54 VAL H 3.900 . 3.900 3.038 2.594 3.548 . 0 0 "[ . 1 . 2]" 1
399 1 23 LEU H 1 54 VAL MG2 4.450 . 4.450 3.817 3.499 4.349 . 0 0 "[ . 1 . 2]" 1
400 1 23 LEU H 1 55 PHE HA 5.120 . 5.120 4.089 3.821 4.454 . 0 0 "[ . 1 . 2]" 1
401 1 23 LEU H 1 55 PHE HB2 5.450 . 5.450 4.904 4.537 5.246 . 0 0 "[ . 1 . 2]" 1
402 1 23 LEU HB2 1 24 THR H 4.470 . 4.470 4.309 4.106 4.503 0.033 13 0 "[ . 1 . 2]" 1
403 1 23 LEU HB2 1 53 GLY HA2 5.500 . 5.500 4.260 3.619 5.589 0.089 3 0 "[ . 1 . 2]" 1
404 1 23 LEU HB2 1 55 PHE QD 4.680 . 4.680 3.663 2.833 4.561 . 0 0 "[ . 1 . 2]" 1
405 1 23 LEU HB3 1 24 THR H 4.470 . 4.470 3.769 2.939 4.177 . 0 0 "[ . 1 . 2]" 1
406 1 23 LEU HB3 1 55 PHE QD 5.480 . 5.480 3.619 2.579 5.160 . 0 0 "[ . 1 . 2]" 1
407 1 23 LEU HG 1 24 THR H 4.390 . 4.390 4.218 3.590 4.494 0.104 8 0 "[ . 1 . 2]" 1
408 1 23 LEU HG 1 48 LEU H 4.600 . 4.600 3.848 3.317 4.501 . 0 0 "[ . 1 . 2]" 1
409 1 23 LEU HG 1 48 LEU HB3 4.700 . 4.700 3.755 3.199 4.397 . 0 0 "[ . 1 . 2]" 1
410 1 23 LEU HG 1 51 LYS H 5.500 . 5.500 5.424 4.947 5.598 0.098 9 0 "[ . 1 . 2]" 1
411 1 23 LEU HG 1 51 LYS HB3 5.190 . 5.190 4.265 2.977 5.227 0.037 19 0 "[ . 1 . 2]" 1
412 1 23 LEU HG 1 52 GLU H 5.410 . 5.410 5.256 4.685 5.481 0.071 6 0 "[ . 1 . 2]" 1
413 1 23 LEU HG 1 52 GLU HA 3.980 . 3.980 3.731 3.295 4.090 0.110 3 0 "[ . 1 . 2]" 1
414 1 23 LEU HG 1 53 GLY H 4.150 . 4.150 3.212 2.382 4.193 0.043 20 0 "[ . 1 . 2]" 1
415 1 23 LEU HG 1 53 GLY HA2 5.420 . 5.420 4.961 4.054 5.572 0.152 20 0 "[ . 1 . 2]" 1
416 1 23 LEU HG 1 53 GLY HA3 4.320 . 4.320 3.530 2.512 4.196 . 0 0 "[ . 1 . 2]" 1
417 1 23 LEU HG 1 54 VAL H 5.500 . 5.500 5.292 4.151 5.580 0.080 3 0 "[ . 1 . 2]" 1
418 1 24 THR H 1 24 THR HB 2.850 . 2.850 2.431 2.330 2.493 . 0 0 "[ . 1 . 2]" 1
419 1 24 THR H 1 24 THR MG 3.910 . 3.910 3.768 3.736 3.799 . 0 0 "[ . 1 . 2]" 1
420 1 24 THR H 1 25 PHE H 4.780 . 4.780 4.378 4.306 4.446 . 0 0 "[ . 1 . 2]" 1
421 1 24 THR H 1 48 LEU QD 5.360 . 5.360 4.925 4.408 5.375 0.015 2 0 "[ . 1 . 2]" 1
422 1 24 THR HA 1 24 THR MG 3.510 . 3.510 2.439 2.377 2.495 . 0 0 "[ . 1 . 2]" 1
423 1 24 THR HA 1 25 PHE H 2.680 . 2.680 2.143 2.059 2.190 . 0 0 "[ . 1 . 2]" 1
424 1 24 THR HB 1 25 PHE H 4.410 . 4.410 4.252 4.120 4.308 . 0 0 "[ . 1 . 2]" 1
425 1 24 THR MG 1 25 PHE H 2.990 . 2.990 2.861 2.584 2.965 . 0 0 "[ . 1 . 2]" 1
426 1 24 THR MG 1 25 PHE HA 4.340 . 4.340 3.595 3.493 3.784 . 0 0 "[ . 1 . 2]" 1
427 1 24 THR MG 1 26 ARG H 5.130 . 5.130 4.849 4.462 5.075 . 0 0 "[ . 1 . 2]" 1
428 1 25 PHE H 1 26 ARG H 4.770 . 4.770 4.376 4.304 4.453 . 0 0 "[ . 1 . 2]" 1
429 1 25 PHE H 1 48 LEU QD 4.990 . 4.990 4.654 4.402 5.026 0.036 12 0 "[ . 1 . 2]" 1
430 1 25 PHE HA 1 26 ARG H 2.910 . 2.910 2.277 2.152 2.363 . 0 0 "[ . 1 . 2]" 1
431 1 25 PHE HA 1 48 LEU QD 3.890 . 3.890 2.758 2.416 3.067 . 0 0 "[ . 1 . 2]" 1
432 1 25 PHE QB 1 26 ARG H 3.300 . 3.300 2.492 2.294 2.777 . 0 0 "[ . 1 . 2]" 1
433 1 25 PHE QB 1 48 LEU QD 3.520 . 3.520 2.397 1.859 3.529 0.009 12 0 "[ . 1 . 2]" 1
434 1 25 PHE HB2 1 26 ARG H 3.990 . 3.990 2.807 2.324 3.925 . 0 0 "[ . 1 . 2]" 1
435 1 25 PHE HB3 1 26 ARG H 3.990 . 3.990 3.392 2.508 3.759 . 0 0 "[ . 1 . 2]" 1
436 1 26 ARG H 1 26 ARG HB2 3.820 . 3.820 2.754 2.290 3.702 . 0 0 "[ . 1 . 2]" 1
437 1 26 ARG H 1 26 ARG QB 3.130 . 3.130 2.458 2.117 2.924 . 0 0 "[ . 1 . 2]" 1
438 1 26 ARG H 1 26 ARG HB3 3.820 . 3.820 3.286 2.218 3.769 . 0 0 "[ . 1 . 2]" 1
439 1 26 ARG H 1 26 ARG QG 3.730 . 3.730 2.760 1.954 3.836 0.106 12 0 "[ . 1 . 2]" 1
440 1 26 ARG H 1 27 GLU H 5.080 . 5.080 4.428 4.285 4.545 . 0 0 "[ . 1 . 2]" 1
441 1 26 ARG H 1 29 GLU QB 4.950 . 4.950 3.502 2.982 4.430 . 0 0 "[ . 1 . 2]" 1
442 1 26 ARG H 1 29 GLU HB3 5.080 . 5.080 4.396 3.235 4.969 . 0 0 "[ . 1 . 2]" 1
443 1 26 ARG H 1 29 GLU QG 4.630 . 4.630 2.624 1.766 4.218 . 0 0 "[ . 1 . 2]" 1
444 1 26 ARG H 1 48 LEU QD 4.080 . 4.080 3.368 2.975 3.692 . 0 0 "[ . 1 . 2]" 1
445 1 26 ARG HA 1 26 ARG QG 3.710 . 3.710 2.716 2.373 3.355 . 0 0 "[ . 1 . 2]" 1
446 1 26 ARG HA 1 27 GLU H 2.960 . 2.960 2.560 2.354 2.727 . 0 0 "[ . 1 . 2]" 1
447 1 26 ARG QB 1 27 GLU H 3.280 . 3.280 2.353 1.805 3.369 0.089 18 0 "[ . 1 . 2]" 1
448 1 26 ARG HD2 1 27 GLU H 5.500 . 5.500 4.795 3.685 5.551 0.051 7 0 "[ . 1 . 2]" 1
449 1 26 ARG HD3 1 27 GLU H 5.500 . 5.500 4.974 3.737 5.595 0.095 16 0 "[ . 1 . 2]" 1
450 1 27 GLU H 1 27 GLU HB2 2.970 . 2.970 2.598 2.399 2.739 . 0 0 "[ . 1 . 2]" 1
451 1 27 GLU H 1 27 GLU QB 2.590 . 2.590 2.242 2.086 2.387 . 0 0 "[ . 1 . 2]" 1
452 1 27 GLU H 1 27 GLU HB3 2.970 . 2.970 2.463 2.163 2.713 . 0 0 "[ . 1 . 2]" 1
453 1 27 GLU H 1 28 GLY H 4.780 . 4.780 4.464 4.225 4.566 . 0 0 "[ . 1 . 2]" 1
454 1 27 GLU HA 1 28 GLY H 2.870 . 2.870 2.174 2.033 2.278 . 0 0 "[ . 1 . 2]" 1
455 1 27 GLU HA 1 29 GLU H 4.500 . 4.500 3.578 3.259 4.144 . 0 0 "[ . 1 . 2]" 1
456 1 27 GLU HB2 1 28 GLY H 4.720 . 4.720 4.268 4.097 4.454 . 0 0 "[ . 1 . 2]" 1
457 1 27 GLU HB3 1 28 GLY H 4.720 . 4.720 4.144 3.897 4.419 . 0 0 "[ . 1 . 2]" 1
458 1 28 GLY H 1 29 GLU H 3.150 . 3.150 2.226 1.888 2.517 . 0 0 "[ . 1 . 2]" 1
459 1 29 GLU H 1 29 GLU HB2 3.880 . 3.880 2.626 2.377 3.828 . 0 0 "[ . 1 . 2]" 1
460 1 29 GLU H 1 29 GLU QB 3.080 . 3.080 2.505 2.341 3.141 0.061 19 0 "[ . 1 . 2]" 1
461 1 29 GLU H 1 29 GLU HB3 4.110 . 4.110 3.545 2.516 3.777 . 0 0 "[ . 1 . 2]" 1
462 1 29 GLU H 1 30 ILE H 4.670 . 4.670 4.463 4.392 4.545 . 0 0 "[ . 1 . 2]" 1
463 1 29 GLU H 1 30 ILE HG12 5.500 . 5.500 5.468 5.296 5.530 0.030 15 0 "[ . 1 . 2]" 1
464 1 29 GLU H 1 31 ILE HG13 5.500 . 5.500 5.218 4.986 5.406 . 0 0 "[ . 1 . 2]" 1
465 1 29 GLU HA 1 29 GLU QG 3.530 . 3.530 2.827 2.286 3.376 . 0 0 "[ . 1 . 2]" 1
466 1 29 GLU HA 1 30 ILE H 2.810 . 2.810 2.246 2.141 2.363 . 0 0 "[ . 1 . 2]" 1
467 1 29 GLU HA 1 30 ILE HB 5.040 . 5.040 4.621 4.546 4.737 . 0 0 "[ . 1 . 2]" 1
468 1 29 GLU HA 1 30 ILE HG12 4.880 . 4.880 3.641 3.217 3.923 . 0 0 "[ . 1 . 2]" 1
469 1 29 GLU QB 1 30 ILE H 3.420 . 3.420 2.802 2.361 3.394 . 0 0 "[ . 1 . 2]" 1
470 1 29 GLU HB3 1 30 ILE H 3.680 . 3.680 2.954 2.393 3.720 0.040 15 0 "[ . 1 . 2]" 1
471 1 29 GLU QG 1 30 ILE H 5.340 . 5.340 4.095 2.097 4.673 . 0 0 "[ . 1 . 2]" 1
472 1 29 GLU QG 1 48 LEU QD 5.130 . 5.130 2.673 1.834 3.444 . 0 0 "[ . 1 . 2]" 1
473 1 30 ILE H 1 30 ILE HB 3.020 . 3.020 2.523 2.441 2.601 . 0 0 "[ . 1 . 2]" 1
474 1 30 ILE H 1 30 ILE MD 4.220 . 4.220 3.580 3.394 3.715 . 0 0 "[ . 1 . 2]" 1
475 1 30 ILE H 1 30 ILE HG12 3.850 . 3.850 2.609 2.415 2.758 . 0 0 "[ . 1 . 2]" 1
476 1 30 ILE H 1 30 ILE HG13 4.070 . 4.070 3.946 3.773 4.074 0.004 18 0 "[ . 1 . 2]" 1
477 1 30 ILE H 1 30 ILE MG 4.050 . 4.050 3.802 3.763 3.837 . 0 0 "[ . 1 . 2]" 1
478 1 30 ILE H 1 31 ILE H 4.790 . 4.790 4.309 4.126 4.496 . 0 0 "[ . 1 . 2]" 1
479 1 30 ILE HA 1 30 ILE MD 4.050 . 4.050 2.105 2.035 2.164 . 0 0 "[ . 1 . 2]" 1
480 1 30 ILE HA 1 30 ILE MG 3.570 . 3.570 2.445 2.377 2.500 . 0 0 "[ . 1 . 2]" 1
481 1 30 ILE HA 1 31 ILE H 2.820 . 2.820 2.098 2.043 2.177 . 0 0 "[ . 1 . 2]" 1
482 1 30 ILE HA 1 31 ILE HB 4.960 . 4.960 4.556 4.491 4.617 . 0 0 "[ . 1 . 2]" 1
483 1 30 ILE HB 1 31 ILE H 4.870 . 4.870 4.188 4.042 4.307 . 0 0 "[ . 1 . 2]" 1
484 1 30 ILE MD 1 31 ILE H 5.300 . 5.300 3.718 3.536 3.887 . 0 0 "[ . 1 . 2]" 1
485 1 30 ILE HG12 1 31 ILE H 5.500 . 5.500 5.073 4.936 5.176 . 0 0 "[ . 1 . 2]" 1
486 1 30 ILE HG13 1 30 ILE MG 3.460 . 3.460 2.371 2.335 2.422 . 0 0 "[ . 1 . 2]" 1
487 1 30 ILE HG13 1 31 ILE H 5.500 . 5.500 5.457 5.219 5.547 0.047 11 0 "[ . 1 . 2]" 1
488 1 30 ILE MG 1 31 ILE H 3.440 . 3.440 2.793 2.447 2.999 . 0 0 "[ . 1 . 2]" 1
489 1 30 ILE MG 1 32 HIS H 5.020 . 5.020 4.418 4.211 4.747 . 0 0 "[ . 1 . 2]" 1
490 1 31 ILE H 1 31 ILE HB 3.200 . 3.200 2.572 2.527 2.652 . 0 0 "[ . 1 . 2]" 1
491 1 31 ILE H 1 31 ILE MD 4.370 . 4.370 3.912 3.690 4.123 . 0 0 "[ . 1 . 2]" 1
492 1 31 ILE H 1 31 ILE HG12 4.710 . 4.710 3.766 3.596 3.936 . 0 0 "[ . 1 . 2]" 1
493 1 31 ILE H 1 31 ILE HG13 3.530 . 3.530 2.623 2.348 2.901 . 0 0 "[ . 1 . 2]" 1
494 1 31 ILE H 1 31 ILE MG 4.440 . 4.440 3.826 3.786 3.868 . 0 0 "[ . 1 . 2]" 1
495 1 31 ILE H 1 32 HIS H 4.880 . 4.880 4.419 4.348 4.477 . 0 0 "[ . 1 . 2]" 1
496 1 31 ILE H 1 32 HIS HA 5.090 . 5.090 4.925 4.789 5.055 . 0 0 "[ . 1 . 2]" 1
497 1 31 ILE HA 1 31 ILE MD 4.440 . 4.440 3.871 3.833 3.940 . 0 0 "[ . 1 . 2]" 1
498 1 31 ILE HA 1 31 ILE HG12 3.930 . 3.930 2.597 2.507 2.751 . 0 0 "[ . 1 . 2]" 1
499 1 31 ILE HA 1 31 ILE HG13 3.890 . 3.890 3.118 3.073 3.188 . 0 0 "[ . 1 . 2]" 1
500 1 31 ILE HA 1 31 ILE MG 3.460 . 3.460 2.414 2.336 2.490 . 0 0 "[ . 1 . 2]" 1
501 1 31 ILE HA 1 32 HIS H 2.800 . 2.800 2.199 2.115 2.243 . 0 0 "[ . 1 . 2]" 1
502 1 31 ILE HA 1 47 GLU H 4.960 . 4.960 4.657 4.195 4.933 . 0 0 "[ . 1 . 2]" 1
503 1 31 ILE HB 1 31 ILE MD 3.670 . 3.670 2.447 2.386 2.483 . 0 0 "[ . 1 . 2]" 1
504 1 31 ILE HB 1 32 HIS H 4.180 . 4.180 4.031 3.943 4.102 . 0 0 "[ . 1 . 2]" 1
505 1 31 ILE MD 1 31 ILE MG 3.330 . 3.330 1.894 1.838 1.924 . 0 0 "[ . 1 . 2]" 1
506 1 31 ILE MD 1 32 HIS H 5.210 . 5.210 5.003 4.822 5.153 . 0 0 "[ . 1 . 2]" 1
507 1 31 ILE MD 1 48 LEU HB2 5.230 . 5.230 3.767 2.921 5.229 . 0 0 "[ . 1 . 2]" 1
508 1 31 ILE MD 1 55 PHE QD 4.300 . 4.300 3.602 3.238 3.912 . 0 0 "[ . 1 . 2]" 1
509 1 31 ILE MD 1 55 PHE QE 4.020 . 4.020 3.148 2.833 3.481 . 0 0 "[ . 1 . 2]" 1
510 1 31 ILE MD 1 55 PHE HZ 4.650 . 4.650 3.374 2.774 3.862 . 0 0 "[ . 1 . 2]" 1
511 1 31 ILE MD 1 60 ALA MB 4.340 . 4.340 2.917 2.276 3.543 . 0 0 "[ . 1 . 2]" 1
512 1 31 ILE HG13 1 32 HIS H 5.500 . 5.500 5.085 4.994 5.203 . 0 0 "[ . 1 . 2]" 1
513 1 31 ILE MG 1 32 HIS H 3.120 . 3.120 2.511 2.356 2.660 . 0 0 "[ . 1 . 2]" 1
514 1 31 ILE MG 1 33 LEU H 4.860 . 4.860 3.947 3.548 4.290 . 0 0 "[ . 1 . 2]" 1
515 1 31 ILE MG 1 46 GLY H 5.010 . 5.010 4.048 3.876 4.556 . 0 0 "[ . 1 . 2]" 1
516 1 31 ILE MG 1 46 GLY HA2 4.140 . 4.140 3.203 2.832 3.855 . 0 0 "[ . 1 . 2]" 1
517 1 31 ILE MG 1 46 GLY HA3 3.600 . 3.600 2.186 1.996 2.712 . 0 0 "[ . 1 . 2]" 1
518 1 31 ILE MG 1 47 GLU H 3.440 . 3.440 2.669 2.289 3.032 . 0 0 "[ . 1 . 2]" 1
519 1 31 ILE MG 1 48 LEU H 5.500 . 5.500 4.170 3.705 5.087 . 0 0 "[ . 1 . 2]" 1
520 1 31 ILE MG 1 55 PHE QD 4.580 . 4.580 3.869 3.433 4.234 . 0 0 "[ . 1 . 2]" 1
521 1 31 ILE MG 1 55 PHE QE 4.010 . 4.010 2.569 2.289 2.862 . 0 0 "[ . 1 . 2]" 1
522 1 31 ILE MG 1 55 PHE HZ 4.930 . 4.930 3.156 2.802 3.528 . 0 0 "[ . 1 . 2]" 1
523 1 32 HIS H 1 32 HIS HB2 3.690 . 3.690 2.604 2.292 2.828 . 0 0 "[ . 1 . 2]" 1
524 1 32 HIS H 1 32 HIS QB 3.120 . 3.120 2.384 2.236 2.538 . 0 0 "[ . 1 . 2]" 1
525 1 32 HIS H 1 32 HIS HB3 3.690 . 3.690 3.113 2.355 3.655 . 0 0 "[ . 1 . 2]" 1
526 1 32 HIS H 1 46 GLY HA3 5.000 . 5.000 4.664 4.544 4.858 . 0 0 "[ . 1 . 2]" 1
527 1 32 HIS H 1 47 GLU H 3.690 . 3.690 3.132 2.830 3.406 . 0 0 "[ . 1 . 2]" 1
528 1 32 HIS H 1 47 GLU HB2 5.500 . 5.500 5.298 4.761 5.515 0.015 17 0 "[ . 1 . 2]" 1
529 1 32 HIS H 1 47 GLU HB3 4.950 . 4.950 3.909 3.351 4.189 . 0 0 "[ . 1 . 2]" 1
530 1 32 HIS H 1 48 LEU HB2 5.500 . 5.500 4.153 3.566 4.773 . 0 0 "[ . 1 . 2]" 1
531 1 32 HIS H 1 48 LEU QD 5.440 . 5.440 4.010 3.655 4.484 . 0 0 "[ . 1 . 2]" 1
532 1 32 HIS HA 1 33 LEU H 3.080 . 3.080 2.120 2.045 2.178 . 0 0 "[ . 1 . 2]" 1
533 1 32 HIS QB 1 47 GLU H 4.520 . 4.520 3.090 2.850 3.541 . 0 0 "[ . 1 . 2]" 1
534 1 32 HIS QB 1 47 GLU HB3 4.190 . 4.190 2.517 1.976 3.513 . 0 0 "[ . 1 . 2]" 1
535 1 32 HIS HB2 1 47 GLU H 5.250 . 5.250 3.834 2.898 4.932 . 0 0 "[ . 1 . 2]" 1
536 1 32 HIS HB3 1 47 GLU H 5.250 . 5.250 3.829 2.943 4.470 . 0 0 "[ . 1 . 2]" 1
537 1 33 LEU H 1 33 LEU HB2 3.180 . 3.180 2.419 2.214 2.540 . 0 0 "[ . 1 . 2]" 1
538 1 33 LEU H 1 33 LEU HB3 3.290 . 3.290 2.480 2.335 2.724 . 0 0 "[ . 1 . 2]" 1
539 1 33 LEU H 1 33 LEU MD1 5.500 . 5.500 4.129 4.074 4.192 . 0 0 "[ . 1 . 2]" 1
540 1 33 LEU H 1 33 LEU MD2 5.460 . 5.460 4.151 4.045 4.303 . 0 0 "[ . 1 . 2]" 1
541 1 33 LEU H 1 33 LEU HG 4.760 . 4.760 4.464 4.288 4.542 . 0 0 "[ . 1 . 2]" 1
542 1 33 LEU HA 1 33 LEU MD2 3.950 . 3.950 3.047 2.675 3.267 . 0 0 "[ . 1 . 2]" 1
543 1 33 LEU HA 1 33 LEU HG 4.160 . 4.160 2.644 2.581 2.782 . 0 0 "[ . 1 . 2]" 1
544 1 33 LEU HA 1 34 ILE H 2.880 . 2.880 2.106 2.058 2.198 . 0 0 "[ . 1 . 2]" 1
545 1 33 LEU HA 1 35 SER H 4.130 . 4.130 3.951 3.764 4.142 0.012 5 0 "[ . 1 . 2]" 1
546 1 33 LEU HA 1 46 GLY HA2 4.020 . 4.020 2.579 2.259 2.909 . 0 0 "[ . 1 . 2]" 1
547 1 33 LEU HA 1 47 GLU H 5.020 . 5.020 3.778 3.370 4.288 . 0 0 "[ . 1 . 2]" 1
548 1 33 LEU HB2 1 33 LEU MD1 3.570 . 3.570 2.212 2.130 2.306 . 0 0 "[ . 1 . 2]" 1
549 1 33 LEU HB3 1 34 ILE H 4.580 . 4.580 4.127 3.906 4.235 . 0 0 "[ . 1 . 2]" 1
550 1 33 LEU MD1 1 36 LYS HG2 5.270 . 5.270 2.392 1.960 2.850 . 0 0 "[ . 1 . 2]" 1
551 1 33 LEU MD1 1 44 TRP HE3 5.500 . 5.500 2.953 2.479 3.435 . 0 0 "[ . 1 . 2]" 1
552 1 33 LEU MD1 1 44 TRP HH2 4.520 . 4.520 3.576 3.173 3.964 . 0 0 "[ . 1 . 2]" 1
553 1 33 LEU MD1 1 44 TRP HZ3 4.340 . 4.340 2.741 2.591 2.995 . 0 0 "[ . 1 . 2]" 1
554 1 33 LEU MD2 1 34 ILE H 3.790 . 3.790 2.647 2.071 2.950 . 0 0 "[ . 1 . 2]" 1
555 1 33 LEU MD2 1 35 SER H 3.600 . 3.600 2.516 2.220 2.737 . 0 0 "[ . 1 . 2]" 1
556 1 33 LEU MD2 1 36 LYS H 5.090 . 5.090 2.914 2.586 3.143 . 0 0 "[ . 1 . 2]" 1
557 1 33 LEU MD2 1 36 LYS HG2 5.240 . 5.240 3.022 2.533 3.539 . 0 0 "[ . 1 . 2]" 1
558 1 33 LEU MD2 1 44 TRP HE3 5.500 . 5.500 4.579 4.054 4.919 . 0 0 "[ . 1 . 2]" 1
559 1 33 LEU MD2 1 45 LYS H 4.090 . 4.090 4.017 3.677 4.125 0.035 10 0 "[ . 1 . 2]" 1
560 1 33 LEU HG 1 34 ILE H 5.220 . 5.220 3.412 2.869 3.811 . 0 0 "[ . 1 . 2]" 1
561 1 33 LEU HG 1 35 SER H 5.160 . 5.160 3.814 3.287 4.608 . 0 0 "[ . 1 . 2]" 1
562 1 33 LEU HG 1 36 LYS H 5.500 . 5.500 5.230 4.912 5.536 0.036 15 0 "[ . 1 . 2]" 1
563 1 33 LEU HG 1 36 LYS HG2 4.330 . 4.330 4.070 3.770 4.343 0.013 4 0 "[ . 1 . 2]" 1
564 1 33 LEU HG 1 44 TRP HB3 5.300 . 5.300 3.277 2.668 3.541 . 0 0 "[ . 1 . 2]" 1
565 1 33 LEU HG 1 44 TRP HE3 4.170 . 4.170 3.395 2.881 3.843 . 0 0 "[ . 1 . 2]" 1
566 1 33 LEU HG 1 44 TRP HZ3 5.500 . 5.500 4.567 3.693 5.394 . 0 0 "[ . 1 . 2]" 1
567 1 33 LEU HG 1 55 PHE QE 5.500 . 5.500 4.512 3.624 5.042 . 0 0 "[ . 1 . 2]" 1
568 1 33 LEU HG 1 55 PHE HZ 5.400 . 5.400 3.979 3.175 4.556 . 0 0 "[ . 1 . 2]" 1
569 1 34 ILE H 1 34 ILE HB 3.240 . 3.240 2.500 2.431 2.591 . 0 0 "[ . 1 . 2]" 1
570 1 34 ILE H 1 34 ILE HG12 4.330 . 4.330 2.889 2.411 3.850 . 0 0 "[ . 1 . 2]" 1
571 1 34 ILE H 1 34 ILE QG 3.610 . 3.610 2.582 2.385 2.786 . 0 0 "[ . 1 . 2]" 1
572 1 34 ILE H 1 34 ILE HG13 4.330 . 4.330 3.637 2.421 4.133 . 0 0 "[ . 1 . 2]" 1
573 1 34 ILE H 1 34 ILE MG 4.020 . 4.020 3.795 3.754 3.844 . 0 0 "[ . 1 . 2]" 1
574 1 34 ILE H 1 35 SER H 2.870 . 2.870 2.206 2.104 2.335 . 0 0 "[ . 1 . 2]" 1
575 1 34 ILE H 1 35 SER HA 5.160 . 5.160 4.712 4.559 4.849 . 0 0 "[ . 1 . 2]" 1
576 1 34 ILE H 1 45 LYS HB3 4.880 . 4.880 4.085 3.694 4.497 . 0 0 "[ . 1 . 2]" 1
577 1 34 ILE H 1 46 GLY H 5.030 . 5.030 4.399 4.153 4.599 . 0 0 "[ . 1 . 2]" 1
578 1 34 ILE H 1 46 GLY HA2 3.350 . 3.350 2.178 1.857 2.574 . 0 0 "[ . 1 . 2]" 1
579 1 34 ILE H 1 46 GLY HA3 4.090 . 4.090 3.578 3.106 4.100 0.010 14 0 "[ . 1 . 2]" 1
580 1 34 ILE HA 1 34 ILE HG12 3.860 . 3.860 2.973 2.466 3.211 . 0 0 "[ . 1 . 2]" 1
581 1 34 ILE HA 1 34 ILE HG13 3.860 . 3.860 3.599 3.076 3.800 . 0 0 "[ . 1 . 2]" 1
582 1 34 ILE HA 1 34 ILE MG 3.220 . 3.220 2.465 2.403 2.518 . 0 0 "[ . 1 . 2]" 1
583 1 34 ILE HB 1 35 SER H 3.140 . 3.140 2.563 2.354 2.773 . 0 0 "[ . 1 . 2]" 1
584 1 34 ILE HB 1 45 LYS H 5.500 . 5.500 4.646 4.199 5.001 . 0 0 "[ . 1 . 2]" 1
585 1 34 ILE HB 1 47 GLU H 5.500 . 5.500 4.773 4.510 5.238 . 0 0 "[ . 1 . 2]" 1
586 1 34 ILE MD 1 46 GLY HA2 4.650 . 4.650 3.706 3.116 4.097 . 0 0 "[ . 1 . 2]" 1
587 1 34 ILE MD 1 47 GLU HG3 5.450 . 5.450 3.639 2.969 5.141 . 0 0 "[ . 1 . 2]" 1
588 1 34 ILE MD 1 52 GLU HB3 5.420 . 5.420 3.484 2.090 4.915 . 0 0 "[ . 1 . 2]" 1
589 1 34 ILE QG 1 34 ILE MG 3.150 . 3.150 2.298 2.209 2.429 . 0 0 "[ . 1 . 2]" 1
590 1 34 ILE QG 1 35 SER H 4.800 . 4.800 3.997 3.853 4.144 . 0 0 "[ . 1 . 2]" 1
591 1 34 ILE QG 1 46 GLY H 4.920 . 4.920 4.231 3.791 4.703 . 0 0 "[ . 1 . 2]" 1
592 1 34 ILE QG 1 52 GLU HB2 5.110 . 5.110 3.256 2.379 4.398 . 0 0 "[ . 1 . 2]" 1
593 1 34 ILE QG 1 52 GLU HB3 3.980 . 3.980 3.305 2.401 4.046 0.066 17 0 "[ . 1 . 2]" 1
594 1 34 ILE HG12 1 46 GLY HA2 4.200 . 4.200 2.679 2.036 4.215 0.015 15 0 "[ . 1 . 2]" 1
595 1 34 ILE HG12 1 47 GLU H 4.480 . 4.480 3.061 2.393 4.479 . 0 0 "[ . 1 . 2]" 1
596 1 34 ILE HG13 1 46 GLY HA2 4.200 . 4.200 3.269 2.163 3.898 . 0 0 "[ . 1 . 2]" 1
597 1 34 ILE HG13 1 47 GLU H 4.480 . 4.480 3.587 2.619 4.223 . 0 0 "[ . 1 . 2]" 1
598 1 34 ILE MG 1 35 SER H 3.830 . 3.830 3.397 3.180 3.568 . 0 0 "[ . 1 . 2]" 1
599 1 34 ILE MG 1 35 SER HA 4.820 . 4.820 4.051 3.873 4.177 . 0 0 "[ . 1 . 2]" 1
600 1 34 ILE MG 1 35 SER QB 4.200 . 4.200 3.267 2.631 3.577 . 0 0 "[ . 1 . 2]" 1
601 1 34 ILE MG 1 52 GLU HB2 4.300 . 4.300 3.909 3.179 4.316 0.016 9 0 "[ . 1 . 2]" 1
602 1 34 ILE MG 1 52 GLU HB3 4.440 . 4.440 4.429 3.965 4.542 0.102 5 0 "[ . 1 . 2]" 1
603 1 35 SER H 1 35 SER QB 3.360 . 3.360 2.831 2.769 2.894 . 0 0 "[ . 1 . 2]" 1
604 1 35 SER H 1 36 LYS H 4.490 . 4.490 4.166 3.981 4.256 . 0 0 "[ . 1 . 2]" 1
605 1 35 SER H 1 45 LYS H 3.820 . 3.820 3.043 2.810 3.261 . 0 0 "[ . 1 . 2]" 1
606 1 35 SER H 1 45 LYS HB2 4.780 . 4.780 4.322 4.101 4.621 . 0 0 "[ . 1 . 2]" 1
607 1 35 SER H 1 45 LYS HB3 3.870 . 3.870 2.671 2.410 2.987 . 0 0 "[ . 1 . 2]" 1
608 1 35 SER H 1 45 LYS QD 4.910 . 4.910 4.217 3.600 4.742 . 0 0 "[ . 1 . 2]" 1
609 1 35 SER H 1 45 LYS HG2 4.380 . 4.380 3.941 3.531 4.378 . 0 0 "[ . 1 . 2]" 1
610 1 35 SER H 1 46 GLY HA2 4.450 . 4.450 3.901 3.577 4.386 . 0 0 "[ . 1 . 2]" 1
611 1 35 SER HA 1 36 LYS H 2.710 . 2.710 2.193 2.127 2.277 . 0 0 "[ . 1 . 2]" 1
612 1 35 SER HA 1 36 LYS HG3 5.500 . 5.500 4.288 3.885 4.695 . 0 0 "[ . 1 . 2]" 1
613 1 35 SER HA 1 37 GLU H 4.070 . 4.070 3.478 3.259 3.774 . 0 0 "[ . 1 . 2]" 1
614 1 35 SER QB 1 36 LYS H 3.890 . 3.890 3.253 2.987 3.613 . 0 0 "[ . 1 . 2]" 1
615 1 35 SER QB 1 37 GLU H 4.020 . 4.020 2.835 2.176 3.360 . 0 0 "[ . 1 . 2]" 1
616 1 35 SER QB 1 45 LYS H 4.840 . 4.840 3.447 3.148 3.699 . 0 0 "[ . 1 . 2]" 1
617 1 35 SER QB 1 45 LYS HB2 5.300 . 5.300 3.230 2.888 3.415 . 0 0 "[ . 1 . 2]" 1
618 1 35 SER QB 1 45 LYS HB3 3.750 . 3.750 2.200 1.935 2.522 . 0 0 "[ . 1 . 2]" 1
619 1 35 SER QB 1 45 LYS QD 5.030 . 5.030 2.954 2.258 3.367 . 0 0 "[ . 1 . 2]" 1
620 1 35 SER HB2 1 36 LYS H 4.440 . 4.440 4.145 4.000 4.342 . 0 0 "[ . 1 . 2]" 1
621 1 35 SER HB2 1 37 GLU H 4.640 . 4.640 4.005 3.271 4.637 . 0 0 "[ . 1 . 2]" 1
622 1 35 SER HB2 1 45 LYS HB2 4.950 . 4.950 3.577 2.920 4.957 0.007 6 0 "[ . 1 . 2]" 1
623 1 35 SER HB2 1 45 LYS HB3 4.680 . 4.680 2.460 1.942 3.648 . 0 0 "[ . 1 . 2]" 1
624 1 35 SER HB3 1 36 LYS H 4.440 . 4.440 3.421 3.080 3.984 . 0 0 "[ . 1 . 2]" 1
625 1 35 SER HB3 1 37 GLU H 4.640 . 4.640 2.908 2.209 3.525 . 0 0 "[ . 1 . 2]" 1
626 1 35 SER HB3 1 45 LYS HB2 4.950 . 4.950 4.549 3.280 4.978 0.028 14 0 "[ . 1 . 2]" 1
627 1 35 SER HB3 1 45 LYS HB3 4.680 . 4.680 3.594 2.027 4.248 . 0 0 "[ . 1 . 2]" 1
628 1 36 LYS H 1 36 LYS HB2 3.730 . 3.730 2.378 2.273 2.488 . 0 0 "[ . 1 . 2]" 1
629 1 36 LYS H 1 36 LYS HD2 5.500 . 5.500 4.618 3.841 5.523 0.023 16 0 "[ . 1 . 2]" 1
630 1 36 LYS H 1 36 LYS HD3 5.500 . 5.500 4.910 3.876 5.503 0.003 8 0 "[ . 1 . 2]" 1
631 1 36 LYS H 1 36 LYS QE 5.340 . 5.340 4.411 3.388 5.228 . 0 0 "[ . 1 . 2]" 1
632 1 36 LYS H 1 36 LYS HE3 5.500 . 5.500 4.828 3.645 5.593 0.093 10 0 "[ . 1 . 2]" 1
633 1 36 LYS H 1 36 LYS HG2 4.380 . 4.380 3.964 3.436 4.392 0.012 16 0 "[ . 1 . 2]" 1
634 1 36 LYS H 1 36 LYS HG3 4.140 . 4.140 2.870 2.304 3.448 . 0 0 "[ . 1 . 2]" 1
635 1 36 LYS H 1 37 GLU H 3.020 . 3.020 2.217 2.055 2.507 . 0 0 "[ . 1 . 2]" 1
636 1 36 LYS H 1 37 GLU QB 5.020 . 5.020 4.167 3.512 4.956 . 0 0 "[ . 1 . 2]" 1
637 1 36 LYS HA 1 36 LYS HD2 5.410 . 5.410 4.569 4.260 4.805 . 0 0 "[ . 1 . 2]" 1
638 1 36 LYS HA 1 36 LYS QD 4.640 . 4.640 4.057 3.973 4.215 . 0 0 "[ . 1 . 2]" 1
639 1 36 LYS HA 1 36 LYS HD3 5.410 . 5.410 4.570 4.299 4.869 . 0 0 "[ . 1 . 2]" 1
640 1 36 LYS HA 1 36 LYS HG2 3.950 . 3.950 2.549 2.413 2.663 . 0 0 "[ . 1 . 2]" 1
641 1 36 LYS HA 1 36 LYS HG3 3.950 . 3.950 2.924 2.642 3.211 . 0 0 "[ . 1 . 2]" 1
642 1 36 LYS HA 1 38 THR MG 4.650 . 4.650 4.113 3.628 4.644 . 0 0 "[ . 1 . 2]" 1
643 1 36 LYS HA 1 44 TRP HA 3.870 . 3.870 2.838 2.512 3.308 . 0 0 "[ . 1 . 2]" 1
644 1 36 LYS HA 1 44 TRP HD1 3.510 . 3.510 2.792 2.573 3.100 . 0 0 "[ . 1 . 2]" 1
645 1 36 LYS HA 1 44 TRP HE1 4.340 . 4.340 3.596 3.125 4.086 . 0 0 "[ . 1 . 2]" 1
646 1 36 LYS HA 1 45 LYS H 4.380 . 4.380 3.526 3.187 3.838 . 0 0 "[ . 1 . 2]" 1
647 1 36 LYS HB3 1 44 TRP HD1 4.570 . 4.570 3.832 3.391 4.322 . 0 0 "[ . 1 . 2]" 1
648 1 36 LYS HB3 1 44 TRP HE1 3.970 . 3.970 2.866 2.521 3.835 . 0 0 "[ . 1 . 2]" 1
649 1 36 LYS QD 1 44 TRP HE1 4.660 . 4.660 3.745 2.770 4.747 0.087 10 0 "[ . 1 . 2]" 1
650 1 36 LYS QD 1 44 TRP HH2 5.340 . 5.340 4.133 3.425 4.794 . 0 0 "[ . 1 . 2]" 1
651 1 36 LYS QD 1 44 TRP HZ2 4.510 . 4.510 3.133 2.393 4.006 . 0 0 "[ . 1 . 2]" 1
652 1 36 LYS HD2 1 44 TRP HZ2 5.060 . 5.060 4.041 2.461 5.083 0.023 6 0 "[ . 1 . 2]" 1
653 1 36 LYS HD3 1 44 TRP HZ2 5.060 . 5.060 3.607 2.866 5.083 0.023 16 0 "[ . 1 . 2]" 1
654 1 36 LYS QE 1 44 TRP HE1 5.340 . 5.340 4.568 3.151 5.400 0.060 4 0 "[ . 1 . 2]" 1
655 1 36 LYS HG2 1 44 TRP HD1 5.060 . 5.060 4.050 3.512 4.490 . 0 0 "[ . 1 . 2]" 1
656 1 36 LYS HG2 1 44 TRP HE1 4.760 . 4.760 3.192 2.771 3.377 . 0 0 "[ . 1 . 2]" 1
657 1 36 LYS HG2 1 44 TRP HH2 5.500 . 5.500 4.359 4.081 4.876 . 0 0 "[ . 1 . 2]" 1
658 1 36 LYS HG3 1 44 TRP HD1 5.500 . 5.500 5.250 4.752 5.531 0.031 7 0 "[ . 1 . 2]" 1
659 1 36 LYS HG3 1 44 TRP HE1 4.760 . 4.760 4.757 4.507 4.824 0.064 9 0 "[ . 1 . 2]" 1
660 1 36 LYS HG3 1 44 TRP HH2 5.500 . 5.500 5.553 5.526 5.589 0.089 10 0 "[ . 1 . 2]" 1
661 1 37 GLU H 1 37 GLU QB 3.570 . 3.570 2.518 2.275 3.172 . 0 0 "[ . 1 . 2]" 1
662 1 37 GLU H 1 37 GLU HG2 5.500 . 5.500 3.939 1.982 4.844 . 0 0 "[ . 1 . 2]" 1
663 1 37 GLU H 1 37 GLU QG 4.680 . 4.680 3.375 1.944 4.093 . 0 0 "[ . 1 . 2]" 1
664 1 37 GLU H 1 37 GLU HG3 5.500 . 5.500 3.858 2.667 4.603 . 0 0 "[ . 1 . 2]" 1
665 1 37 GLU H 1 38 THR H 4.470 . 4.470 4.106 3.762 4.332 . 0 0 "[ . 1 . 2]" 1
666 1 37 GLU H 1 38 THR MG 4.280 . 4.280 3.991 3.653 4.290 0.010 11 0 "[ . 1 . 2]" 1
667 1 37 GLU H 1 39 GLY H 5.500 . 5.500 5.318 5.073 5.559 0.059 20 0 "[ . 1 . 2]" 1
668 1 37 GLU HA 1 37 GLU QG 3.740 . 3.740 2.799 2.344 3.372 . 0 0 "[ . 1 . 2]" 1
669 1 37 GLU HA 1 38 THR H 2.660 . 2.660 2.125 2.064 2.218 . 0 0 "[ . 1 . 2]" 1
670 1 37 GLU HA 1 38 THR MG 4.860 . 4.860 3.965 3.723 4.131 . 0 0 "[ . 1 . 2]" 1
671 1 37 GLU HA 1 39 GLY H 3.720 . 3.720 3.169 2.971 3.670 . 0 0 "[ . 1 . 2]" 1
672 1 37 GLU QB 1 38 THR H 4.010 . 4.010 3.634 3.040 3.994 . 0 0 "[ . 1 . 2]" 1
673 1 37 GLU QB 1 39 GLY H 4.520 . 4.520 3.554 2.583 4.417 . 0 0 "[ . 1 . 2]" 1
674 1 37 GLU HB2 1 38 THR H 4.640 . 4.640 4.225 3.140 4.576 . 0 0 "[ . 1 . 2]" 1
675 1 37 GLU HB3 1 38 THR H 4.640 . 4.640 4.050 3.567 4.449 . 0 0 "[ . 1 . 2]" 1
676 1 37 GLU HG2 1 38 THR H 5.500 . 5.500 4.908 3.469 5.535 0.035 14 0 "[ . 1 . 2]" 1
677 1 37 GLU HG2 1 39 GLY H 5.500 . 5.500 4.622 2.144 5.617 0.117 7 0 "[ . 1 . 2]" 1
678 1 37 GLU HG3 1 38 THR H 5.500 . 5.500 4.340 3.284 5.607 0.107 7 0 "[ . 1 . 2]" 1
679 1 37 GLU HG3 1 39 GLY H 5.500 . 5.500 4.028 2.258 5.554 0.054 9 0 "[ . 1 . 2]" 1
680 1 38 THR H 1 38 THR MG 3.140 . 3.140 2.827 2.601 3.037 . 0 0 "[ . 1 . 2]" 1
681 1 38 THR H 1 39 GLY H 2.880 . 2.880 2.111 1.827 2.406 . 0 0 "[ . 1 . 2]" 1
682 1 38 THR H 1 39 GLY HA2 5.500 . 5.500 4.470 4.170 4.712 . 0 0 "[ . 1 . 2]" 1
683 1 38 THR H 1 39 GLY QA 4.710 . 4.710 4.053 3.839 4.245 . 0 0 "[ . 1 . 2]" 1
684 1 38 THR H 1 39 GLY HA3 5.500 . 5.500 4.644 4.457 4.822 . 0 0 "[ . 1 . 2]" 1
685 1 38 THR H 1 40 GLU H 3.510 . 3.510 2.958 2.325 3.541 0.031 8 0 "[ . 1 . 2]" 1
686 1 38 THR H 1 43 TRP H 5.390 . 5.390 4.948 4.430 5.398 0.008 16 0 "[ . 1 . 2]" 1
687 1 38 THR HA 1 38 THR MG 3.300 . 3.300 2.295 2.235 2.363 . 0 0 "[ . 1 . 2]" 1
688 1 38 THR HA 1 39 GLY H 3.190 . 3.190 3.170 2.978 3.260 0.070 8 0 "[ . 1 . 2]" 1
689 1 38 THR HA 1 40 GLU H 4.930 . 4.930 4.354 4.009 4.748 . 0 0 "[ . 1 . 2]" 1
690 1 38 THR HB 1 40 GLU H 5.330 . 5.330 3.753 3.386 4.121 . 0 0 "[ . 1 . 2]" 1
691 1 38 THR MG 1 39 GLY H 4.540 . 4.540 4.208 4.029 4.350 . 0 0 "[ . 1 . 2]" 1
692 1 38 THR MG 1 40 GLU H 4.610 . 4.610 4.411 4.062 4.619 0.009 18 0 "[ . 1 . 2]" 1
693 1 38 THR MG 1 43 TRP H 4.940 . 4.940 4.760 4.404 4.951 0.011 14 0 "[ . 1 . 2]" 1
694 1 38 THR MG 1 44 TRP H 4.500 . 4.500 4.081 3.862 4.310 . 0 0 "[ . 1 . 2]" 1
695 1 38 THR MG 1 44 TRP HA 3.480 . 3.480 2.782 2.538 3.058 . 0 0 "[ . 1 . 2]" 1
696 1 38 THR MG 1 44 TRP HD1 4.520 . 4.520 4.160 3.831 4.478 . 0 0 "[ . 1 . 2]" 1
697 1 38 THR MG 1 45 LYS H 3.500 . 3.500 2.972 2.695 3.315 . 0 0 "[ . 1 . 2]" 1
698 1 38 THR MG 1 45 LYS HA 4.310 . 4.310 3.592 3.341 3.803 . 0 0 "[ . 1 . 2]" 1
699 1 38 THR MG 1 45 LYS HB2 3.770 . 3.770 2.191 1.943 2.532 . 0 0 "[ . 1 . 2]" 1
700 1 38 THR MG 1 45 LYS HB3 3.770 . 3.770 3.091 2.841 3.495 . 0 0 "[ . 1 . 2]" 1
701 1 38 THR MG 1 54 VAL HA 4.470 . 4.470 3.888 3.556 4.138 . 0 0 "[ . 1 . 2]" 1
702 1 38 THR MG 1 55 PHE H 4.750 . 4.750 4.368 3.971 4.752 0.002 17 0 "[ . 1 . 2]" 1
703 1 39 GLY H 1 40 GLU H 3.070 . 3.070 2.537 2.140 2.982 . 0 0 "[ . 1 . 2]" 1
704 1 39 GLY H 1 40 GLU HA 5.110 . 5.110 4.685 4.236 5.033 . 0 0 "[ . 1 . 2]" 1
705 1 40 GLU H 1 40 GLU HB2 3.820 . 3.820 2.707 2.362 3.231 . 0 0 "[ . 1 . 2]" 1
706 1 40 GLU H 1 40 GLU QB 3.090 . 3.090 2.503 2.286 2.671 . 0 0 "[ . 1 . 2]" 1
707 1 40 GLU H 1 40 GLU HB3 3.820 . 3.820 3.384 2.386 3.790 . 0 0 "[ . 1 . 2]" 1
708 1 40 GLU H 1 40 GLU HG2 5.500 . 5.500 4.142 2.766 5.030 . 0 0 "[ . 1 . 2]" 1
709 1 40 GLU H 1 40 GLU QG 4.820 . 4.820 3.367 2.720 4.219 . 0 0 "[ . 1 . 2]" 1
710 1 40 GLU H 1 40 GLU HG3 5.500 . 5.500 3.713 2.818 4.761 . 0 0 "[ . 1 . 2]" 1
711 1 40 GLU H 1 41 ALA H 4.630 . 4.630 4.293 4.065 4.493 . 0 0 "[ . 1 . 2]" 1
712 1 40 GLU H 1 43 TRP H 5.190 . 5.190 4.736 4.347 5.099 . 0 0 "[ . 1 . 2]" 1
713 1 40 GLU H 1 43 TRP HB2 4.760 . 4.760 4.043 3.737 4.758 . 0 0 "[ . 1 . 2]" 1
714 1 40 GLU HA 1 41 ALA H 2.730 . 2.730 2.206 2.080 2.507 . 0 0 "[ . 1 . 2]" 1
715 1 40 GLU HA 1 41 ALA MB 4.910 . 4.910 3.992 3.936 4.053 . 0 0 "[ . 1 . 2]" 1
716 1 40 GLU QB 1 41 ALA H 3.880 . 3.880 3.128 2.200 3.896 0.016 8 0 "[ . 1 . 2]" 1
717 1 40 GLU QB 1 43 TRP HB2 4.460 . 4.460 2.775 2.026 3.478 . 0 0 "[ . 1 . 2]" 1
718 1 40 GLU QB 1 43 TRP HD1 3.660 . 3.660 2.483 2.034 3.394 . 0 0 "[ . 1 . 2]" 1
719 1 40 GLU HB2 1 41 ALA H 4.720 . 4.720 4.045 3.351 4.440 . 0 0 "[ . 1 . 2]" 1
720 1 40 GLU HB2 1 43 TRP H 5.400 . 5.400 4.083 2.874 5.446 0.046 20 0 "[ . 1 . 2]" 1
721 1 40 GLU HB2 1 43 TRP HD1 4.430 . 4.430 3.112 2.162 4.443 0.013 4 0 "[ . 1 . 2]" 1
722 1 40 GLU HB3 1 41 ALA H 4.720 . 4.720 3.304 2.231 4.312 . 0 0 "[ . 1 . 2]" 1
723 1 40 GLU HB3 1 43 TRP H 5.400 . 5.400 3.843 3.187 4.834 . 0 0 "[ . 1 . 2]" 1
724 1 40 GLU HB3 1 43 TRP HD1 4.430 . 4.430 2.758 2.227 3.698 . 0 0 "[ . 1 . 2]" 1
725 1 40 GLU QG 1 41 ALA H 4.810 . 4.810 3.707 2.467 4.708 . 0 0 "[ . 1 . 2]" 1
726 1 40 GLU HG2 1 41 ALA H 5.500 . 5.500 4.330 2.964 5.381 . 0 0 "[ . 1 . 2]" 1
727 1 40 GLU HG3 1 41 ALA H 5.500 . 5.500 4.305 2.493 5.508 0.008 13 0 "[ . 1 . 2]" 1
728 1 41 ALA H 1 41 ALA MB 2.620 . 2.620 2.281 2.222 2.373 . 0 0 "[ . 1 . 2]" 1
729 1 41 ALA H 1 42 GLY H 4.550 . 4.550 4.270 3.804 4.513 . 0 0 "[ . 1 . 2]" 1
730 1 41 ALA H 1 43 TRP H 5.500 . 5.500 4.604 4.012 4.916 . 0 0 "[ . 1 . 2]" 1
731 1 41 ALA HA 1 42 GLY H 3.120 . 3.120 2.150 2.050 2.329 . 0 0 "[ . 1 . 2]" 1
732 1 41 ALA HA 1 43 TRP H 4.410 . 4.410 3.579 3.175 4.219 . 0 0 "[ . 1 . 2]" 1
733 1 41 ALA MB 1 42 GLY H 3.640 . 3.640 3.285 2.706 3.579 . 0 0 "[ . 1 . 2]" 1
734 1 41 ALA MB 1 43 TRP H 5.350 . 5.350 4.641 4.223 5.172 . 0 0 "[ . 1 . 2]" 1
735 1 42 GLY H 1 43 TRP H 3.130 . 3.130 2.256 1.905 2.956 . 0 0 "[ . 1 . 2]" 1
736 1 42 GLY H 1 43 TRP HD1 5.400 . 5.400 4.832 4.522 5.313 . 0 0 "[ . 1 . 2]" 1
737 1 42 GLY QA 1 43 TRP HD1 4.440 . 4.440 3.793 3.441 4.279 . 0 0 "[ . 1 . 2]" 1
738 1 42 GLY QA 1 57 ASP H 4.740 . 4.740 3.448 3.155 3.724 . 0 0 "[ . 1 . 2]" 1
739 1 42 GLY HA2 1 57 ASP H 5.500 . 5.500 3.615 3.265 3.919 . 0 0 "[ . 1 . 2]" 1
740 1 42 GLY HA3 1 57 ASP H 5.500 . 5.500 4.369 3.952 4.660 . 0 0 "[ . 1 . 2]" 1
741 1 43 TRP H 1 43 TRP HB2 3.140 . 3.140 2.454 2.374 2.528 . 0 0 "[ . 1 . 2]" 1
742 1 43 TRP H 1 43 TRP HB3 4.050 . 4.050 3.647 3.588 3.697 . 0 0 "[ . 1 . 2]" 1
743 1 43 TRP H 1 43 TRP HD1 3.510 . 3.510 2.929 2.682 3.135 . 0 0 "[ . 1 . 2]" 1
744 1 43 TRP H 1 44 TRP H 5.090 . 5.090 4.307 4.197 4.370 . 0 0 "[ . 1 . 2]" 1
745 1 43 TRP H 1 44 TRP HD1 5.010 . 5.010 4.106 3.671 4.483 . 0 0 "[ . 1 . 2]" 1
746 1 43 TRP H 1 57 ASP H 5.500 . 5.500 4.847 4.505 5.093 . 0 0 "[ . 1 . 2]" 1
747 1 43 TRP HA 1 44 TRP H 2.980 . 2.980 2.074 2.032 2.109 . 0 0 "[ . 1 . 2]" 1
748 1 43 TRP HA 1 55 PHE H 4.870 . 4.870 3.854 3.707 4.006 . 0 0 "[ . 1 . 2]" 1
749 1 43 TRP HA 1 57 ASP H 3.940 . 3.940 3.349 2.899 3.613 . 0 0 "[ . 1 . 2]" 1
750 1 43 TRP HB2 1 44 TRP H 4.570 . 4.570 4.247 4.134 4.340 . 0 0 "[ . 1 . 2]" 1
751 1 43 TRP HB2 1 54 VAL MG2 5.200 . 5.200 4.841 4.502 5.202 0.002 2 0 "[ . 1 . 2]" 1
752 1 43 TRP HB2 1 55 PHE H 5.500 . 5.500 5.363 5.161 5.514 0.014 18 0 "[ . 1 . 2]" 1
753 1 43 TRP HB3 1 43 TRP HE3 3.730 . 3.730 2.527 2.417 2.675 . 0 0 "[ . 1 . 2]" 1
754 1 43 TRP HB3 1 54 VAL MG1 4.170 . 4.170 3.473 2.897 3.983 . 0 0 "[ . 1 . 2]" 1
755 1 43 TRP HB3 1 54 VAL MG2 4.370 . 4.370 3.676 3.347 3.979 . 0 0 "[ . 1 . 2]" 1
756 1 43 TRP HB3 1 55 PHE H 4.310 . 4.310 3.716 3.493 3.911 . 0 0 "[ . 1 . 2]" 1
757 1 43 TRP HE3 1 44 TRP H 4.580 . 4.580 3.940 3.676 4.157 . 0 0 "[ . 1 . 2]" 1
758 1 43 TRP HE3 1 54 VAL HA 4.580 . 4.580 4.135 3.920 4.569 . 0 0 "[ . 1 . 2]" 1
759 1 43 TRP HE3 1 54 VAL MG1 4.340 . 4.340 3.972 3.827 4.290 . 0 0 "[ . 1 . 2]" 1
760 1 43 TRP HE3 1 54 VAL MG2 3.400 . 3.400 2.629 2.436 2.924 . 0 0 "[ . 1 . 2]" 1
761 1 43 TRP HE3 1 55 PHE H 3.470 . 3.470 2.870 2.671 3.097 . 0 0 "[ . 1 . 2]" 1
762 1 43 TRP HE3 1 55 PHE HA 4.110 . 4.110 3.019 2.837 3.251 . 0 0 "[ . 1 . 2]" 1
763 1 43 TRP HE3 1 55 PHE HB2 5.480 . 5.480 5.215 4.997 5.420 . 0 0 "[ . 1 . 2]" 1
764 1 43 TRP HH2 1 54 VAL MG2 5.500 . 5.500 4.469 4.177 4.923 . 0 0 "[ . 1 . 2]" 1
765 1 43 TRP HZ3 1 54 VAL MG2 4.170 . 4.170 2.767 2.389 3.200 . 0 0 "[ . 1 . 2]" 1
766 1 43 TRP HZ3 1 55 PHE H 5.080 . 5.080 4.403 4.188 4.734 . 0 0 "[ . 1 . 2]" 1
767 1 43 TRP HZ3 1 55 PHE HA 4.030 . 4.030 2.668 2.457 2.864 . 0 0 "[ . 1 . 2]" 1
768 1 43 TRP HZ3 1 55 PHE HB2 5.120 . 5.120 5.031 4.822 5.140 0.020 14 0 "[ . 1 . 2]" 1
769 1 44 TRP H 1 44 TRP HB2 3.750 . 3.750 2.398 2.331 2.468 . 0 0 "[ . 1 . 2]" 1
770 1 44 TRP H 1 44 TRP HB3 3.710 . 3.710 3.596 3.537 3.653 . 0 0 "[ . 1 . 2]" 1
771 1 44 TRP H 1 44 TRP HD1 4.390 . 4.390 3.547 3.352 3.855 . 0 0 "[ . 1 . 2]" 1
772 1 44 TRP H 1 45 LYS H 4.930 . 4.930 4.410 4.318 4.454 . 0 0 "[ . 1 . 2]" 1
773 1 44 TRP H 1 54 VAL HA 5.070 . 5.070 4.461 4.143 4.605 . 0 0 "[ . 1 . 2]" 1
774 1 44 TRP H 1 55 PHE H 3.610 . 3.610 2.797 2.597 2.908 . 0 0 "[ . 1 . 2]" 1
775 1 44 TRP H 1 55 PHE HB3 5.500 . 5.500 5.458 5.309 5.510 0.010 7 0 "[ . 1 . 2]" 1
776 1 44 TRP H 1 57 ASP H 4.110 . 4.110 3.757 3.476 3.995 . 0 0 "[ . 1 . 2]" 1
777 1 44 TRP HA 1 44 TRP HD1 3.160 . 3.160 2.295 2.174 2.429 . 0 0 "[ . 1 . 2]" 1
778 1 44 TRP HA 1 44 TRP HE1 4.720 . 4.720 4.655 4.521 4.740 0.020 8 0 "[ . 1 . 2]" 1
779 1 44 TRP HA 1 45 LYS H 3.180 . 3.180 2.255 2.099 2.476 . 0 0 "[ . 1 . 2]" 1
780 1 44 TRP HB2 1 57 ASP H 5.500 . 5.500 4.417 3.942 4.752 . 0 0 "[ . 1 . 2]" 1
781 1 44 TRP HB3 1 44 TRP HE3 4.000 . 4.000 2.840 2.665 3.034 . 0 0 "[ . 1 . 2]" 1
782 1 44 TRP HB3 1 45 LYS H 3.880 . 3.880 2.662 2.223 3.160 . 0 0 "[ . 1 . 2]" 1
783 1 44 TRP HB3 1 55 PHE QE 4.550 . 4.550 3.482 3.276 3.784 . 0 0 "[ . 1 . 2]" 1
784 1 44 TRP HB3 1 55 PHE HZ 4.170 . 4.170 3.316 3.102 3.658 . 0 0 "[ . 1 . 2]" 1
785 1 44 TRP HD1 1 45 LYS H 4.700 . 4.700 4.380 4.105 4.556 . 0 0 "[ . 1 . 2]" 1
786 1 44 TRP HE1 1 57 ASP HB2 5.170 . 5.170 4.201 3.316 5.018 . 0 0 "[ . 1 . 2]" 1
787 1 44 TRP HE1 1 57 ASP QB 4.430 . 4.430 3.453 2.863 3.884 . 0 0 "[ . 1 . 2]" 1
788 1 44 TRP HE1 1 57 ASP HB3 5.170 . 5.170 3.786 3.028 5.191 0.021 5 0 "[ . 1 . 2]" 1
789 1 44 TRP HE3 1 55 PHE QD 5.360 . 5.360 4.938 4.232 5.341 . 0 0 "[ . 1 . 2]" 1
790 1 44 TRP HE3 1 55 PHE QE 3.460 . 3.460 3.014 2.237 3.469 0.009 7 0 "[ . 1 . 2]" 1
791 1 44 TRP HE3 1 60 ALA MB 4.270 . 4.270 3.918 3.419 4.294 0.024 16 0 "[ . 1 . 2]" 1
792 1 44 TRP HH2 1 62 GLN H 4.850 . 4.850 3.990 3.213 4.657 . 0 0 "[ . 1 . 2]" 1
793 1 44 TRP HH2 1 62 GLN QB 5.340 . 5.340 2.521 1.975 3.198 . 0 0 "[ . 1 . 2]" 1
794 1 44 TRP HZ3 1 60 ALA MB 4.410 . 4.410 3.974 3.304 4.437 0.027 7 0 "[ . 1 . 2]" 1
795 1 44 TRP HZ3 1 62 GLN H 5.320 . 5.320 4.098 3.722 4.642 . 0 0 "[ . 1 . 2]" 1
796 1 44 TRP HZ3 1 62 GLN QB 5.340 . 5.340 2.712 2.246 3.403 . 0 0 "[ . 1 . 2]" 1
797 1 45 LYS H 1 45 LYS HB2 3.600 . 3.600 2.973 2.748 3.196 . 0 0 "[ . 1 . 2]" 1
798 1 45 LYS H 1 45 LYS HB3 3.600 . 3.600 2.554 2.426 2.662 . 0 0 "[ . 1 . 2]" 1
799 1 45 LYS H 1 45 LYS HG2 5.500 . 5.500 4.406 4.229 4.553 . 0 0 "[ . 1 . 2]" 1
800 1 45 LYS H 1 45 LYS HG3 5.500 . 5.500 4.648 4.533 4.722 . 0 0 "[ . 1 . 2]" 1
801 1 45 LYS H 1 46 GLY H 5.040 . 5.040 4.305 4.194 4.374 . 0 0 "[ . 1 . 2]" 1
802 1 45 LYS H 1 54 VAL MG1 5.150 . 5.150 4.201 3.680 4.625 . 0 0 "[ . 1 . 2]" 1
803 1 45 LYS HA 1 45 LYS HG3 3.900 . 3.900 2.606 2.459 2.833 . 0 0 "[ . 1 . 2]" 1
804 1 45 LYS HA 1 46 GLY H 2.850 . 2.850 2.127 2.073 2.189 . 0 0 "[ . 1 . 2]" 1
805 1 45 LYS HA 1 53 GLY H 4.890 . 4.890 4.290 3.789 4.680 . 0 0 "[ . 1 . 2]" 1
806 1 45 LYS HA 1 54 VAL HA 3.330 . 3.330 2.167 1.994 2.646 . 0 0 "[ . 1 . 2]" 1
807 1 45 LYS HA 1 54 VAL MG1 3.800 . 3.800 2.814 2.548 3.543 . 0 0 "[ . 1 . 2]" 1
808 1 45 LYS HA 1 55 PHE H 4.080 . 4.080 3.628 3.445 3.802 . 0 0 "[ . 1 . 2]" 1
809 1 45 LYS HA 1 55 PHE HB3 5.500 . 5.500 5.551 5.511 5.600 0.100 6 0 "[ . 1 . 2]" 1
810 1 45 LYS HA 1 55 PHE QD 4.780 . 4.780 3.578 3.415 3.815 . 0 0 "[ . 1 . 2]" 1
811 1 45 LYS HA 1 55 PHE QE 4.820 . 4.820 3.748 3.320 4.104 . 0 0 "[ . 1 . 2]" 1
812 1 45 LYS HB2 1 46 GLY H 5.080 . 5.080 4.198 4.070 4.334 . 0 0 "[ . 1 . 2]" 1
813 1 45 LYS HB2 1 54 VAL MG1 3.960 . 3.960 2.368 1.977 2.771 . 0 0 "[ . 1 . 2]" 1
814 1 45 LYS HB3 1 46 GLY H 5.080 . 5.080 4.111 4.027 4.205 . 0 0 "[ . 1 . 2]" 1
815 1 45 LYS HG2 1 46 GLY H 4.810 . 4.810 3.099 2.897 3.529 . 0 0 "[ . 1 . 2]" 1
816 1 45 LYS HG2 1 53 GLY H 5.230 . 5.230 4.092 3.484 4.837 . 0 0 "[ . 1 . 2]" 1
817 1 45 LYS HG3 1 46 GLY H 4.840 . 4.840 3.126 2.775 3.447 . 0 0 "[ . 1 . 2]" 1
818 1 45 LYS HG3 1 53 GLY H 5.230 . 5.230 3.611 2.650 4.264 . 0 0 "[ . 1 . 2]" 1
819 1 46 GLY H 1 47 GLU H 4.830 . 4.830 4.321 4.292 4.360 . 0 0 "[ . 1 . 2]" 1
820 1 46 GLY H 1 52 GLU HA 5.500 . 5.500 4.237 4.003 4.601 . 0 0 "[ . 1 . 2]" 1
821 1 46 GLY H 1 53 GLY H 3.470 . 3.470 2.941 2.723 3.225 . 0 0 "[ . 1 . 2]" 1
822 1 46 GLY H 1 54 VAL HA 4.130 . 4.130 3.421 3.146 4.128 . 0 0 "[ . 1 . 2]" 1
823 1 46 GLY H 1 55 PHE QD 4.210 . 4.210 3.184 2.977 3.461 . 0 0 "[ . 1 . 2]" 1
824 1 46 GLY H 1 55 PHE QE 3.900 . 3.900 2.904 2.337 3.262 . 0 0 "[ . 1 . 2]" 1
825 1 46 GLY HA2 1 47 GLU H 3.210 . 3.210 2.341 2.219 2.509 . 0 0 "[ . 1 . 2]" 1
826 1 46 GLY HA2 1 55 PHE QE 4.330 . 4.330 3.535 3.227 3.970 . 0 0 "[ . 1 . 2]" 1
827 1 46 GLY HA3 1 47 GLU H 3.250 . 3.250 2.702 2.518 2.932 . 0 0 "[ . 1 . 2]" 1
828 1 46 GLY HA3 1 55 PHE QE 3.890 . 3.890 2.153 2.004 2.545 . 0 0 "[ . 1 . 2]" 1
829 1 47 GLU H 1 47 GLU HB2 3.580 . 3.580 2.952 2.780 3.106 . 0 0 "[ . 1 . 2]" 1
830 1 47 GLU H 1 47 GLU HB3 3.580 . 3.580 2.566 2.403 2.726 . 0 0 "[ . 1 . 2]" 1
831 1 47 GLU H 1 47 GLU HG2 5.300 . 5.300 4.536 4.296 4.649 . 0 0 "[ . 1 . 2]" 1
832 1 47 GLU H 1 47 GLU HG3 5.500 . 5.500 4.781 4.607 4.965 . 0 0 "[ . 1 . 2]" 1
833 1 47 GLU H 1 55 PHE QE 5.490 . 5.490 4.762 4.411 5.004 . 0 0 "[ . 1 . 2]" 1
834 1 47 GLU HA 1 47 GLU HG2 4.080 . 4.080 2.691 2.445 3.150 . 0 0 "[ . 1 . 2]" 1
835 1 47 GLU HA 1 47 GLU HG3 4.250 . 4.250 3.315 2.564 3.746 . 0 0 "[ . 1 . 2]" 1
836 1 47 GLU HA 1 48 LEU H 2.690 . 2.690 2.085 2.023 2.155 . 0 0 "[ . 1 . 2]" 1
837 1 47 GLU HA 1 51 LYS H 5.120 . 5.120 4.397 4.106 4.617 . 0 0 "[ . 1 . 2]" 1
838 1 47 GLU HB3 1 48 LEU H 4.410 . 4.410 4.132 4.007 4.215 . 0 0 "[ . 1 . 2]" 1
839 1 47 GLU HG2 1 48 LEU H 3.420 . 3.420 2.923 2.563 3.376 . 0 0 "[ . 1 . 2]" 1
840 1 47 GLU HG2 1 50 GLY H 4.130 . 4.130 3.294 2.478 4.080 . 0 0 "[ . 1 . 2]" 1
841 1 47 GLU HG2 1 51 LYS H 4.190 . 4.190 3.475 2.873 4.227 0.037 19 0 "[ . 1 . 2]" 1
842 1 47 GLU HG3 1 52 GLU HB3 3.180 . 3.180 3.011 2.535 3.246 0.066 15 0 "[ . 1 . 2]" 1
843 1 48 LEU H 1 48 LEU HB2 3.680 . 3.680 3.283 3.136 3.419 . 0 0 "[ . 1 . 2]" 1
844 1 48 LEU H 1 48 LEU HB3 3.220 . 3.220 2.813 2.657 3.016 . 0 0 "[ . 1 . 2]" 1
845 1 48 LEU H 1 48 LEU MD1 5.370 . 5.370 4.405 4.343 4.445 . 0 0 "[ . 1 . 2]" 1
846 1 48 LEU H 1 48 LEU QD 4.530 . 4.530 4.021 3.978 4.074 . 0 0 "[ . 1 . 2]" 1
847 1 48 LEU H 1 48 LEU MD2 5.370 . 5.370 4.644 4.534 4.795 . 0 0 "[ . 1 . 2]" 1
848 1 48 LEU H 1 48 LEU HG 5.020 . 5.020 4.486 4.372 4.589 . 0 0 "[ . 1 . 2]" 1
849 1 48 LEU H 1 49 ASN H 4.700 . 4.700 4.063 3.920 4.185 . 0 0 "[ . 1 . 2]" 1
850 1 48 LEU H 1 50 GLY H 4.540 . 4.540 3.633 3.477 3.839 . 0 0 "[ . 1 . 2]" 1
851 1 48 LEU H 1 51 LYS H 3.560 . 3.560 3.015 2.801 3.225 . 0 0 "[ . 1 . 2]" 1
852 1 48 LEU H 1 51 LYS HB2 5.020 . 5.020 3.841 3.579 4.311 . 0 0 "[ . 1 . 2]" 1
853 1 48 LEU HA 1 49 ASN H 2.900 . 2.900 2.131 2.066 2.261 . 0 0 "[ . 1 . 2]" 1
854 1 48 LEU HA 1 50 GLY H 4.220 . 4.220 3.568 3.233 3.851 . 0 0 "[ . 1 . 2]" 1
855 1 48 LEU HB2 1 48 LEU MD1 3.580 . 3.580 2.357 2.289 2.411 . 0 0 "[ . 1 . 2]" 1
856 1 48 LEU HB2 1 48 LEU QD 3.130 . 3.130 2.131 2.107 2.150 . 0 0 "[ . 1 . 2]" 1
857 1 48 LEU HB2 1 48 LEU MD2 3.580 . 3.580 2.433 2.367 2.503 . 0 0 "[ . 1 . 2]" 1
858 1 48 LEU HB2 1 49 ASN H 4.650 . 4.650 4.235 4.013 4.332 . 0 0 "[ . 1 . 2]" 1
859 1 48 LEU HB3 1 49 ASN H 4.600 . 4.600 4.163 3.861 4.336 . 0 0 "[ . 1 . 2]" 1
860 1 48 LEU HB3 1 50 GLY H 5.500 . 5.500 5.150 4.935 5.460 . 0 0 "[ . 1 . 2]" 1
861 1 48 LEU QD 1 49 ASN H 3.310 . 3.310 2.527 2.141 2.872 . 0 0 "[ . 1 . 2]" 1
862 1 48 LEU QD 1 49 ASN QD 4.190 . 4.190 2.715 2.251 3.265 . 0 0 "[ . 1 . 2]" 1
863 1 48 LEU QD 1 50 GLY H 5.000 . 5.000 4.564 4.149 4.781 . 0 0 "[ . 1 . 2]" 1
864 1 48 LEU MD1 1 49 ASN HD21 5.500 . 5.500 3.933 3.077 5.346 . 0 0 "[ . 1 . 2]" 1
865 1 48 LEU MD1 1 49 ASN HD22 5.500 . 5.500 3.548 2.912 5.011 . 0 0 "[ . 1 . 2]" 1
866 1 48 LEU MD2 1 49 ASN HD21 5.500 . 5.500 3.706 2.612 5.440 . 0 0 "[ . 1 . 2]" 1
867 1 48 LEU MD2 1 49 ASN HD22 5.500 . 5.500 3.434 2.505 5.205 . 0 0 "[ . 1 . 2]" 1
868 1 48 LEU HG 1 49 ASN H 4.020 . 4.020 3.115 2.493 3.631 . 0 0 "[ . 1 . 2]" 1
869 1 48 LEU HG 1 49 ASN HD21 4.640 . 4.640 2.980 1.740 4.317 . 0 0 "[ . 1 . 2]" 1
870 1 48 LEU HG 1 49 ASN QD 4.000 . 4.000 2.635 1.703 3.719 . 0 0 "[ . 1 . 2]" 1
871 1 48 LEU HG 1 49 ASN HD22 4.640 . 4.640 3.073 2.320 4.761 0.121 1 0 "[ . 1 . 2]" 1
872 1 49 ASN H 1 49 ASN HA 2.850 . 2.850 2.252 2.203 2.282 . 0 0 "[ . 1 . 2]" 1
873 1 49 ASN H 1 49 ASN HB2 4.180 . 4.180 3.607 3.110 3.756 . 0 0 "[ . 1 . 2]" 1
874 1 49 ASN H 1 49 ASN QB 3.660 . 3.660 3.386 2.990 3.496 . 0 0 "[ . 1 . 2]" 1
875 1 49 ASN H 1 49 ASN HB3 4.180 . 4.180 4.108 3.876 4.165 . 0 0 "[ . 1 . 2]" 1
876 1 49 ASN H 1 50 GLY H 3.470 . 3.470 2.614 2.503 2.725 . 0 0 "[ . 1 . 2]" 1
877 1 49 ASN H 1 51 LYS H 4.730 . 4.730 4.172 4.018 4.486 . 0 0 "[ . 1 . 2]" 1
878 1 49 ASN HA 1 50 GLY H 3.130 . 3.130 3.038 2.791 3.158 0.028 19 0 "[ . 1 . 2]" 1
879 1 49 ASN HA 1 51 LYS H 4.920 . 4.920 4.486 4.345 4.798 . 0 0 "[ . 1 . 2]" 1
880 1 49 ASN QB 1 49 ASN QD 3.100 . 3.100 2.243 2.054 2.745 . 0 0 "[ . 1 . 2]" 1
881 1 49 ASN QB 1 50 GLY H 4.030 . 4.030 3.703 3.417 3.842 . 0 0 "[ . 1 . 2]" 1
882 1 49 ASN QB 1 51 LYS H 4.440 . 4.440 3.483 3.147 3.992 . 0 0 "[ . 1 . 2]" 1
883 1 49 ASN HB2 1 50 GLY H 4.730 . 4.730 3.998 3.591 4.327 . 0 0 "[ . 1 . 2]" 1
884 1 49 ASN HB2 1 51 LYS H 5.290 . 5.290 3.653 3.220 4.372 . 0 0 "[ . 1 . 2]" 1
885 1 49 ASN HB3 1 50 GLY H 4.730 . 4.730 4.400 3.964 4.480 . 0 0 "[ . 1 . 2]" 1
886 1 49 ASN HB3 1 51 LYS H 5.290 . 5.290 4.562 3.494 5.023 . 0 0 "[ . 1 . 2]" 1
887 1 50 GLY H 1 51 LYS H 3.290 . 3.290 2.386 2.105 2.629 . 0 0 "[ . 1 . 2]" 1
888 1 50 GLY H 1 51 LYS HB2 4.960 . 4.960 4.867 4.666 4.988 0.028 2 0 "[ . 1 . 2]" 1
889 1 50 GLY H 1 51 LYS HD2 5.500 . 5.500 4.469 3.754 5.552 0.052 16 0 "[ . 1 . 2]" 1
890 1 50 GLY H 1 51 LYS QD 5.340 . 5.340 4.064 3.650 4.863 . 0 0 "[ . 1 . 2]" 1
891 1 50 GLY H 1 51 LYS HD3 5.500 . 5.500 4.917 3.887 5.634 0.134 15 0 "[ . 1 . 2]" 1
892 1 51 LYS H 1 51 LYS HB2 3.280 . 3.280 2.578 2.401 2.781 . 0 0 "[ . 1 . 2]" 1
893 1 51 LYS H 1 51 LYS QD 3.790 . 3.790 2.536 2.056 3.506 . 0 0 "[ . 1 . 2]" 1
894 1 51 LYS H 1 51 LYS HG2 4.960 . 4.960 4.204 2.657 4.595 . 0 0 "[ . 1 . 2]" 1
895 1 51 LYS H 1 51 LYS QG 4.070 . 4.070 3.556 2.624 3.842 . 0 0 "[ . 1 . 2]" 1
896 1 51 LYS H 1 51 LYS HG3 4.710 . 4.710 3.944 3.623 4.178 . 0 0 "[ . 1 . 2]" 1
897 1 51 LYS H 1 52 GLU H 4.760 . 4.760 4.354 4.224 4.462 . 0 0 "[ . 1 . 2]" 1
898 1 51 LYS HA 1 52 GLU H 2.590 . 2.590 2.140 2.004 2.366 . 0 0 "[ . 1 . 2]" 1
899 1 51 LYS HB3 1 52 GLU H 3.370 . 3.370 2.938 2.289 3.233 . 0 0 "[ . 1 . 2]" 1
900 1 51 LYS QG 1 52 GLU H 4.120 . 4.120 3.982 3.632 4.257 0.137 15 0 "[ . 1 . 2]" 1
901 1 51 LYS HG2 1 52 GLU H 4.960 . 4.960 4.966 4.739 5.055 0.095 1 0 "[ . 1 . 2]" 1
902 1 51 LYS HG3 1 52 GLU H 4.690 . 4.690 4.206 3.772 4.736 0.046 15 0 "[ . 1 . 2]" 1
903 1 52 GLU H 1 52 GLU HB3 3.630 . 3.630 3.271 2.884 3.513 . 0 0 "[ . 1 . 2]" 1
904 1 52 GLU H 1 52 GLU QG 3.880 . 3.880 2.305 2.085 2.832 . 0 0 "[ . 1 . 2]" 1
905 1 52 GLU HA 1 53 GLY H 2.660 . 2.660 2.080 1.839 2.203 . 0 0 "[ . 1 . 2]" 1
906 1 52 GLU HB2 1 53 GLY H 3.610 . 3.610 3.172 2.737 3.664 0.054 18 0 "[ . 1 . 2]" 1
907 1 52 GLU HB3 1 53 GLY H 4.460 . 4.460 4.020 3.720 4.243 . 0 0 "[ . 1 . 2]" 1
908 1 52 GLU HG2 1 53 GLY H 5.500 . 5.500 5.166 4.524 5.567 0.067 7 0 "[ . 1 . 2]" 1
909 1 52 GLU HG3 1 53 GLY H 5.500 . 5.500 4.679 4.016 5.332 . 0 0 "[ . 1 . 2]" 1
910 1 53 GLY H 1 54 VAL H 4.400 . 4.400 4.241 4.114 4.350 . 0 0 "[ . 1 . 2]" 1
911 1 53 GLY H 1 54 VAL MG1 5.500 . 5.500 4.844 4.613 5.061 . 0 0 "[ . 1 . 2]" 1
912 1 53 GLY HA2 1 54 VAL H 3.200 . 3.200 2.674 2.455 2.825 . 0 0 "[ . 1 . 2]" 1
913 1 53 GLY HA2 1 54 VAL MG1 3.560 . 3.560 3.387 3.254 3.498 . 0 0 "[ . 1 . 2]" 1
914 1 53 GLY HA2 1 54 VAL MG2 5.170 . 5.170 3.954 3.847 4.109 . 0 0 "[ . 1 . 2]" 1
915 1 53 GLY HA3 1 54 VAL H 3.260 . 3.260 2.377 2.205 2.528 . 0 0 "[ . 1 . 2]" 1
916 1 54 VAL H 1 54 VAL HB 4.000 . 4.000 3.778 3.739 3.814 . 0 0 "[ . 1 . 2]" 1
917 1 54 VAL H 1 54 VAL MG1 3.300 . 3.300 2.845 2.767 2.941 . 0 0 "[ . 1 . 2]" 1
918 1 54 VAL H 1 54 VAL MG2 2.890 . 2.890 2.120 2.079 2.164 . 0 0 "[ . 1 . 2]" 1
919 1 54 VAL H 1 55 PHE H 4.750 . 4.750 4.436 4.392 4.474 . 0 0 "[ . 1 . 2]" 1
920 1 54 VAL HA 1 54 VAL MG1 3.320 . 3.320 2.349 2.321 2.388 . 0 0 "[ . 1 . 2]" 1
921 1 54 VAL HA 1 55 PHE H 2.850 . 2.850 2.225 2.146 2.313 . 0 0 "[ . 1 . 2]" 1
922 1 54 VAL HA 1 55 PHE HB3 4.470 . 4.470 4.225 4.123 4.359 . 0 0 "[ . 1 . 2]" 1
923 1 54 VAL HA 1 55 PHE QD 4.120 . 4.120 3.145 2.842 3.422 . 0 0 "[ . 1 . 2]" 1
924 1 54 VAL HB 1 55 PHE HA 5.130 . 5.130 4.261 4.169 4.382 . 0 0 "[ . 1 . 2]" 1
925 1 54 VAL MG1 1 55 PHE H 3.840 . 3.840 3.650 3.566 3.759 . 0 0 "[ . 1 . 2]" 1
926 1 54 VAL MG2 1 55 PHE H 3.700 . 3.700 3.631 3.489 3.726 0.026 17 0 "[ . 1 . 2]" 1
927 1 55 PHE H 1 55 PHE HB3 3.590 . 3.590 3.301 3.231 3.388 . 0 0 "[ . 1 . 2]" 1
928 1 55 PHE H 1 55 PHE QD 3.580 . 3.580 2.986 2.838 3.153 . 0 0 "[ . 1 . 2]" 1
929 1 55 PHE HA 1 55 PHE QD 4.230 . 4.230 3.775 3.763 3.782 . 0 0 "[ . 1 . 2]" 1
930 1 55 PHE QD 1 57 ASP HA 4.380 . 4.380 3.361 3.033 3.771 . 0 0 "[ . 1 . 2]" 1
931 1 55 PHE QD 1 59 PHE H 4.800 . 4.800 3.957 3.740 4.239 . 0 0 "[ . 1 . 2]" 1
932 1 55 PHE QD 1 60 ALA MB 4.060 . 4.060 3.440 2.962 3.703 . 0 0 "[ . 1 . 2]" 1
933 1 55 PHE QE 1 57 ASP HA 3.980 . 3.980 2.882 2.376 3.372 . 0 0 "[ . 1 . 2]" 1
934 1 55 PHE QE 1 57 ASP QB 4.880 . 4.880 4.219 3.627 4.904 0.024 18 0 "[ . 1 . 2]" 1
935 1 55 PHE QE 1 59 PHE H 5.500 . 5.500 4.795 4.412 5.115 . 0 0 "[ . 1 . 2]" 1
936 1 55 PHE QE 1 60 ALA H 5.260 . 5.260 4.292 3.969 4.736 . 0 0 "[ . 1 . 2]" 1
937 1 55 PHE QE 1 60 ALA MB 3.320 . 3.320 2.229 2.038 2.528 . 0 0 "[ . 1 . 2]" 1
938 1 55 PHE HZ 1 60 ALA MB 4.170 . 4.170 3.685 3.370 4.032 . 0 0 "[ . 1 . 2]" 1
939 1 56 PRO HA 1 58 ASN H 4.230 . 4.230 3.838 3.688 4.008 . 0 0 "[ . 1 . 2]" 1
940 1 56 PRO QB 1 58 ASN H 3.530 . 3.530 2.831 2.623 3.060 . 0 0 "[ . 1 . 2]" 1
941 1 56 PRO QB 1 58 ASN QB 4.200 . 4.200 3.546 2.435 4.318 0.118 4 0 "[ . 1 . 2]" 1
942 1 56 PRO QB 1 59 PHE H 4.190 . 4.190 3.440 2.439 3.755 . 0 0 "[ . 1 . 2]" 1
943 1 56 PRO QB 1 59 PHE QD 4.010 . 4.010 2.192 1.965 2.870 . 0 0 "[ . 1 . 2]" 1
944 1 56 PRO HB2 1 57 ASP H 4.370 . 4.370 3.723 3.619 3.820 . 0 0 "[ . 1 . 2]" 1
945 1 56 PRO HB2 1 58 ASN H 4.280 . 4.280 2.939 2.700 3.205 . 0 0 "[ . 1 . 2]" 1
946 1 56 PRO HB3 1 57 ASP H 4.370 . 4.370 3.582 3.441 3.711 . 0 0 "[ . 1 . 2]" 1
947 1 56 PRO HB3 1 58 ASN H 4.280 . 4.280 3.715 3.471 3.989 . 0 0 "[ . 1 . 2]" 1
948 1 57 ASP H 1 57 ASP HB2 3.670 . 3.670 3.531 2.645 3.671 0.001 14 0 "[ . 1 . 2]" 1
949 1 57 ASP H 1 57 ASP QB 3.100 . 3.100 2.391 2.198 2.540 . 0 0 "[ . 1 . 2]" 1
950 1 57 ASP H 1 57 ASP HB3 3.670 . 3.670 2.438 2.309 2.590 . 0 0 "[ . 1 . 2]" 1
951 1 57 ASP H 1 58 ASN H 3.420 . 3.420 2.736 2.611 2.934 . 0 0 "[ . 1 . 2]" 1
952 1 57 ASP HA 1 59 PHE H 4.240 . 4.240 3.576 3.379 4.094 . 0 0 "[ . 1 . 2]" 1
953 1 57 ASP HA 1 60 ALA H 4.660 . 4.660 3.770 3.365 4.359 . 0 0 "[ . 1 . 2]" 1
954 1 57 ASP HB2 1 58 ASN H 4.700 . 4.700 4.244 4.060 4.367 . 0 0 "[ . 1 . 2]" 1
955 1 57 ASP HB3 1 58 ASN H 4.700 . 4.700 4.032 2.812 4.389 . 0 0 "[ . 1 . 2]" 1
956 1 58 ASN H 1 58 ASN HB2 3.710 . 3.710 3.082 2.123 3.715 0.005 4 0 "[ . 1 . 2]" 1
957 1 58 ASN H 1 58 ASN QB 3.060 . 3.060 2.524 2.033 2.807 . 0 0 "[ . 1 . 2]" 1
958 1 58 ASN H 1 58 ASN HB3 3.710 . 3.710 3.096 2.548 3.699 . 0 0 "[ . 1 . 2]" 1
959 1 58 ASN H 1 58 ASN HD21 5.130 . 5.130 4.003 2.407 4.723 . 0 0 "[ . 1 . 2]" 1
960 1 58 ASN H 1 58 ASN QD 4.300 . 4.300 3.645 2.372 4.183 . 0 0 "[ . 1 . 2]" 1
961 1 58 ASN H 1 58 ASN HD22 5.130 . 5.130 4.361 3.527 5.285 0.155 12 0 "[ . 1 . 2]" 1
962 1 58 ASN H 1 59 PHE H 3.170 . 3.170 2.624 2.232 2.797 . 0 0 "[ . 1 . 2]" 1
963 1 58 ASN H 1 59 PHE HA 5.500 . 5.500 5.173 4.795 5.356 . 0 0 "[ . 1 . 2]" 1
964 1 58 ASN H 1 59 PHE QD 4.280 . 4.280 3.648 3.135 4.298 0.018 8 0 "[ . 1 . 2]" 1
965 1 58 ASN H 1 60 ALA H 4.680 . 4.680 4.266 4.020 4.412 . 0 0 "[ . 1 . 2]" 1
966 1 58 ASN HA 1 60 ALA H 4.600 . 4.600 3.657 3.301 3.994 . 0 0 "[ . 1 . 2]" 1
967 1 58 ASN HB2 1 59 PHE H 4.920 . 4.920 3.792 2.830 4.381 . 0 0 "[ . 1 . 2]" 1
968 1 58 ASN HB3 1 58 ASN QD 3.450 . 3.450 2.809 2.186 3.332 . 0 0 "[ . 1 . 2]" 1
969 1 58 ASN HB3 1 58 ASN HD22 4.040 . 4.040 3.784 3.470 4.054 0.014 15 0 "[ . 1 . 2]" 1
970 1 58 ASN HB3 1 59 PHE H 4.920 . 4.920 4.140 2.793 4.429 . 0 0 "[ . 1 . 2]" 1
971 1 59 PHE H 1 59 PHE HB2 3.680 . 3.680 2.436 2.282 2.578 . 0 0 "[ . 1 . 2]" 1
972 1 59 PHE H 1 59 PHE QB 3.000 . 3.000 2.402 2.256 2.532 . 0 0 "[ . 1 . 2]" 1
973 1 59 PHE H 1 59 PHE HB3 3.680 . 3.680 3.648 3.551 3.702 0.022 8 0 "[ . 1 . 2]" 1
974 1 59 PHE H 1 59 PHE QD 3.680 . 3.680 2.574 2.227 3.239 . 0 0 "[ . 1 . 2]" 1
975 1 59 PHE H 1 60 ALA MB 4.450 . 4.450 3.967 3.791 4.156 . 0 0 "[ . 1 . 2]" 1
976 1 59 PHE QB 1 60 ALA H 4.000 . 4.000 3.452 3.208 3.602 . 0 0 "[ . 1 . 2]" 1
977 1 59 PHE HB2 1 60 ALA H 4.790 . 4.790 3.656 3.368 3.813 . 0 0 "[ . 1 . 2]" 1
978 1 59 PHE HB3 1 60 ALA H 4.790 . 4.790 4.242 3.946 4.434 . 0 0 "[ . 1 . 2]" 1
979 1 60 ALA H 1 60 ALA MB 3.000 . 3.000 2.620 2.541 2.671 . 0 0 "[ . 1 . 2]" 1
980 1 60 ALA H 1 61 VAL H 4.770 . 4.770 4.336 4.227 4.385 . 0 0 "[ . 1 . 2]" 1
981 1 60 ALA HA 1 61 VAL H 2.850 . 2.850 2.343 2.184 2.471 . 0 0 "[ . 1 . 2]" 1
982 1 60 ALA HA 1 61 VAL MG1 4.350 . 4.350 3.769 3.650 3.836 . 0 0 "[ . 1 . 2]" 1
983 1 60 ALA MB 1 61 VAL H 3.000 . 3.000 2.442 2.167 2.874 . 0 0 "[ . 1 . 2]" 1
984 1 60 ALA MB 1 62 GLN H 5.500 . 5.500 4.862 4.532 5.059 . 0 0 "[ . 1 . 2]" 1
985 1 61 VAL H 1 61 VAL HB 3.670 . 3.670 3.136 2.955 3.269 . 0 0 "[ . 1 . 2]" 1
986 1 61 VAL H 1 61 VAL MG1 4.120 . 4.120 2.266 2.062 2.392 . 0 0 "[ . 1 . 2]" 1
987 1 61 VAL H 1 61 VAL MG2 4.120 . 4.120 3.925 3.859 3.969 . 0 0 "[ . 1 . 2]" 1
988 1 61 VAL H 1 62 GLN H 4.530 . 4.530 4.315 4.190 4.409 . 0 0 "[ . 1 . 2]" 1
989 1 61 VAL H 1 62 GLN HA 5.070 . 5.070 4.667 4.442 4.913 . 0 0 "[ . 1 . 2]" 1
990 1 61 VAL MG1 1 62 GLN H 4.140 . 4.140 3.870 3.607 4.061 . 0 0 "[ . 1 . 2]" 1
991 1 61 VAL MG2 1 62 GLN H 4.140 . 4.140 2.546 2.303 2.801 . 0 0 "[ . 1 . 2]" 1
992 1 61 VAL MG2 1 62 GLN HA 5.020 . 5.020 4.158 4.077 4.242 . 0 0 "[ . 1 . 2]" 1
993 1 61 VAL MG2 1 62 GLN QB 4.290 . 4.290 3.830 3.481 4.092 . 0 0 "[ . 1 . 2]" 1
994 1 61 VAL MG2 1 63 ILE H 5.500 . 5.500 4.728 4.277 5.114 . 0 0 "[ . 1 . 2]" 1
995 1 61 VAL MG2 1 63 ILE HA 5.380 . 5.380 4.078 3.472 4.595 . 0 0 "[ . 1 . 2]" 1
996 1 62 GLN H 1 62 GLN HB2 3.110 . 3.110 2.631 2.369 2.816 . 0 0 "[ . 1 . 2]" 1
997 1 62 GLN H 1 62 GLN QB 2.690 . 2.690 2.280 2.204 2.370 . 0 0 "[ . 1 . 2]" 1
998 1 62 GLN H 1 62 GLN HB3 3.110 . 3.110 2.531 2.342 2.841 . 0 0 "[ . 1 . 2]" 1
999 1 62 GLN H 1 62 GLN HG2 4.730 . 4.730 4.449 4.294 4.618 . 0 0 "[ . 1 . 2]" 1
1000 1 62 GLN H 1 62 GLN HG3 4.730 . 4.730 4.455 4.312 4.536 . 0 0 "[ . 1 . 2]" 1
1001 1 62 GLN H 1 63 ILE H 4.780 . 4.780 4.459 4.333 4.553 . 0 0 "[ . 1 . 2]" 1
1002 1 62 GLN HA 1 62 GLN HG2 4.110 . 4.110 3.184 2.784 3.851 . 0 0 "[ . 1 . 2]" 1
1003 1 62 GLN HA 1 62 GLN QG 3.610 . 3.610 2.466 2.246 3.083 . 0 0 "[ . 1 . 2]" 1
1004 1 62 GLN HA 1 62 GLN HG3 4.110 . 4.110 2.573 2.330 3.245 . 0 0 "[ . 1 . 2]" 1
1005 1 62 GLN HA 1 63 ILE H 2.620 . 2.620 2.118 2.031 2.266 . 0 0 "[ . 1 . 2]" 1
1006 1 62 GLN QB 1 63 ILE H 3.950 . 3.950 3.677 3.447 3.839 . 0 0 "[ . 1 . 2]" 1
1007 1 62 GLN HB2 1 63 ILE H 4.580 . 4.580 4.179 3.927 4.385 . 0 0 "[ . 1 . 2]" 1
1008 1 62 GLN HB3 1 63 ILE H 4.580 . 4.580 4.094 3.704 4.324 . 0 0 "[ . 1 . 2]" 1
1009 1 62 GLN QG 1 64 SER H 3.710 . 3.710 2.689 2.068 3.154 . 0 0 "[ . 1 . 2]" 1
1010 1 62 GLN HG2 1 63 ILE H 3.880 . 3.880 3.215 2.410 4.064 0.184 13 0 "[ . 1 . 2]" 1
1011 1 62 GLN HG2 1 64 SER H 4.390 . 4.390 3.063 2.101 4.284 . 0 0 "[ . 1 . 2]" 1
1012 1 62 GLN HG3 1 63 ILE H 3.880 . 3.880 3.047 2.417 3.612 . 0 0 "[ . 1 . 2]" 1
1013 1 62 GLN HG3 1 64 SER H 4.390 . 4.390 3.338 2.542 4.372 . 0 0 "[ . 1 . 2]" 1
1014 1 63 ILE H 1 63 ILE HB 3.760 . 3.760 2.952 2.478 3.786 0.026 13 0 "[ . 1 . 2]" 1
1015 1 63 ILE H 1 63 ILE MD 4.450 . 4.450 3.462 3.162 3.867 . 0 0 "[ . 1 . 2]" 1
1016 1 63 ILE H 1 63 ILE HG12 4.020 . 4.020 2.297 1.960 3.306 . 0 0 "[ . 1 . 2]" 1
1017 1 63 ILE H 1 63 ILE QG 3.310 . 3.310 2.144 1.909 2.643 . 0 0 "[ . 1 . 2]" 1
1018 1 63 ILE H 1 63 ILE HG13 4.020 . 4.020 3.292 1.923 4.011 . 0 0 "[ . 1 . 2]" 1
1019 1 63 ILE H 1 63 ILE MG 4.650 . 4.650 3.385 2.600 3.817 . 0 0 "[ . 1 . 2]" 1
1020 1 63 ILE HA 1 63 ILE MG 3.170 . 3.170 2.355 2.245 2.451 . 0 0 "[ . 1 . 2]" 1
1021 1 63 ILE HB 1 64 SER H 3.920 . 3.920 2.787 1.834 4.019 0.099 16 0 "[ . 1 . 2]" 1
1022 1 63 ILE MD 1 64 SER H 5.500 . 5.500 4.323 3.666 4.587 . 0 0 "[ . 1 . 2]" 1
1023 1 63 ILE QG 1 64 SER H 4.170 . 4.170 3.229 1.908 3.900 . 0 0 "[ . 1 . 2]" 1
1024 1 63 ILE MG 1 64 SER H 4.150 . 4.150 3.562 2.995 4.162 0.012 16 0 "[ . 1 . 2]" 1
1025 1 64 SER H 1 64 SER HB2 3.660 . 3.660 2.805 2.468 3.662 0.002 3 0 "[ . 1 . 2]" 1
1026 1 64 SER H 1 64 SER HB3 3.660 . 3.660 3.493 2.565 3.794 0.134 4 0 "[ . 1 . 2]" 1
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