NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
387351 |
1m9g   |
5529 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1m9g
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 900
_Distance_constraint_stats_list.Viol_count 1948
_Distance_constraint_stats_list.Viol_total 2953.146
_Distance_constraint_stats_list.Viol_max 0.483
_Distance_constraint_stats_list.Viol_rms 0.0305
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0758
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 2.007 0.175 5 0 "[ . 1 . 2]"
1 4 TRP 6.386 0.175 5 0 "[ . 1 . 2]"
1 5 GLU 5.710 0.192 1 0 "[ . 1 . 2]"
1 6 ILE 4.412 0.192 1 0 "[ . 1 . 2]"
1 7 ILE 0.991 0.152 5 0 "[ . 1 . 2]"
1 8 ASP 0.481 0.162 14 0 "[ . 1 . 2]"
1 9 ILE 1.421 0.162 14 0 "[ . 1 . 2]"
1 10 GLY 2.510 0.296 10 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PHE 2.409 0.136 20 0 "[ . 1 . 2]"
1 13 THR 1.299 0.121 18 0 "[ . 1 . 2]"
1 14 GLN 7.672 0.296 10 0 "[ . 1 . 2]"
1 15 ASN 3.037 0.180 16 0 "[ . 1 . 2]"
1 16 LEU 7.249 0.253 15 0 "[ . 1 . 2]"
1 17 ALA 0.975 0.116 9 0 "[ . 1 . 2]"
1 18 LYS 0.871 0.108 7 0 "[ . 1 . 2]"
1 19 PHE 4.221 0.228 14 0 "[ . 1 . 2]"
1 20 ALA 5.936 0.228 14 0 "[ . 1 . 2]"
1 21 VAL 2.711 0.126 11 0 "[ . 1 . 2]"
1 22 ASP 0.108 0.034 7 0 "[ . 1 . 2]"
1 23 GLU 1.910 0.242 10 0 "[ . 1 . 2]"
1 24 GLU 0.987 0.128 9 0 "[ . 1 . 2]"
1 25 ASN 1.438 0.151 17 0 "[ . 1 . 2]"
1 26 LYS 1.982 0.135 5 0 "[ . 1 . 2]"
1 27 ILE 0.721 0.113 7 0 "[ . 1 . 2]"
1 28 GLY 0.066 0.021 2 0 "[ . 1 . 2]"
1 29 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TYR 1.030 0.183 17 0 "[ . 1 . 2]"
1 31 GLY 1.279 0.183 17 0 "[ . 1 . 2]"
1 32 ARG 3.396 0.134 7 0 "[ . 1 . 2]"
1 33 LEU 2.461 0.154 4 0 "[ . 1 . 2]"
1 34 THR 5.747 0.269 7 0 "[ . 1 . 2]"
1 35 PHE 1.320 0.268 7 0 "[ . 1 . 2]"
1 36 ASN 7.858 0.341 7 0 "[ . 1 . 2]"
1 37 LYS 4.858 0.334 2 0 "[ . 1 . 2]"
1 38 VAL 3.279 0.177 3 0 "[ . 1 . 2]"
1 39 ILE 0.216 0.099 10 0 "[ . 1 . 2]"
1 40 ARG 1.531 0.125 8 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 CYS 1.779 0.082 19 0 "[ . 1 . 2]"
1 43 MET 1.473 0.117 5 0 "[ . 1 . 2]"
1 44 LYS 0.150 0.049 12 0 "[ . 1 . 2]"
1 45 LYS 0.080 0.056 10 0 "[ . 1 . 2]"
1 46 THR 1.315 0.121 12 0 "[ . 1 . 2]"
1 47 ILE 3.055 0.349 3 0 "[ . 1 . 2]"
1 48 TYR 4.766 0.338 14 0 "[ . 1 . 2]"
1 49 GLU 3.550 0.258 18 0 "[ . 1 . 2]"
1 50 ASN 3.178 0.258 18 0 "[ . 1 . 2]"
1 51 GLU 1.835 0.246 10 0 "[ . 1 . 2]"
1 52 GLY 3.221 0.233 20 0 "[ . 1 . 2]"
1 53 PHE 2.695 0.260 20 0 "[ . 1 . 2]"
1 54 ARG 1.529 0.260 20 0 "[ . 1 . 2]"
1 55 GLU 1.336 0.483 19 0 "[ . 1 . 2]"
1 56 ILE 1.013 0.157 11 0 "[ . 1 . 2]"
1 57 LYS 1.503 0.120 1 0 "[ . 1 . 2]"
1 58 GLY 0.321 0.124 18 0 "[ . 1 . 2]"
1 59 TYR 6.934 0.257 3 0 "[ . 1 . 2]"
1 60 GLU 6.698 0.246 18 0 "[ . 1 . 2]"
1 61 TYR 4.497 0.227 13 0 "[ . 1 . 2]"
1 62 GLN 1.389 0.152 13 0 "[ . 1 . 2]"
1 63 LEU 0.947 0.152 13 0 "[ . 1 . 2]"
1 64 TYR 2.088 0.157 7 0 "[ . 1 . 2]"
1 65 VAL 2.151 0.133 11 0 "[ . 1 . 2]"
1 66 TYR 6.669 0.196 1 0 "[ . 1 . 2]"
1 67 ALA 6.338 0.341 7 0 "[ . 1 . 2]"
1 68 SER 6.113 0.269 7 0 "[ . 1 . 2]"
1 69 ASP 2.917 0.178 14 0 "[ . 1 . 2]"
1 70 LYS 1.265 0.180 6 0 "[ . 1 . 2]"
1 71 LEU 2.378 0.196 1 0 "[ . 1 . 2]"
1 72 PHE 5.311 0.243 18 0 "[ . 1 . 2]"
1 73 ARG 2.344 0.149 8 0 "[ . 1 . 2]"
1 74 ALA 0.742 0.056 14 0 "[ . 1 . 2]"
1 75 ASP 2.284 0.218 18 0 "[ . 1 . 2]"
1 76 ILE 0.479 0.227 13 0 "[ . 1 . 2]"
1 77 SER 6.115 0.188 10 0 "[ . 1 . 2]"
1 78 GLU 5.724 0.171 12 0 "[ . 1 . 2]"
1 79 ASP 1.908 0.171 12 0 "[ . 1 . 2]"
1 80 TYR 1.714 0.188 8 0 "[ . 1 . 2]"
1 81 LYS 0.527 0.107 7 0 "[ . 1 . 2]"
1 82 THR 0.753 0.107 7 0 "[ . 1 . 2]"
1 83 ARG 2.316 0.191 8 0 "[ . 1 . 2]"
1 84 GLY 1.768 0.164 4 0 "[ . 1 . 2]"
1 85 ARG 0.591 0.164 4 0 "[ . 1 . 2]"
1 86 LYS 0.518 0.074 20 0 "[ . 1 . 2]"
1 87 LEU 1.466 0.208 16 0 "[ . 1 . 2]"
1 88 LEU 0.513 0.057 4 0 "[ . 1 . 2]"
1 89 ARG 8.911 0.253 15 0 "[ . 1 . 2]"
1 90 PHE 2.266 0.151 11 0 "[ . 1 . 2]"
1 91 ASN 1.113 0.071 14 0 "[ . 1 . 2]"
1 92 GLY 0.152 0.039 20 0 "[ . 1 . 2]"
1 93 PRO 0.304 0.046 7 0 "[ . 1 . 2]"
1 94 VAL 0.304 0.046 7 0 "[ . 1 . 2]"
1 95 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLY QA 1 3 GLU H . . 3.230 2.410 2.129 2.962 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLY QA 1 46 THR MG . . 4.960 2.868 2.014 3.871 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY QA 1 48 TYR HE1 . . 6.380 3.843 2.072 4.999 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLU H 1 3 GLU HB2 . . 3.950 3.162 2.320 3.989 0.039 17 0 "[ . 1 . 2]" 1
5 1 3 GLU H 1 3 GLU QB . . 3.670 2.894 2.291 3.403 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLU H 1 3 GLU HB3 . . 3.950 3.609 2.687 4.027 0.077 5 0 "[ . 1 . 2]" 1
7 1 3 GLU H 1 4 TRP H . . 4.380 4.412 4.243 4.555 0.175 5 0 "[ . 1 . 2]" 1
8 1 3 GLU HA 1 4 TRP H . . 2.770 2.576 2.045 2.835 0.065 18 0 "[ . 1 . 2]" 1
9 1 3 GLU HA 1 4 TRP HD1 . . 3.270 3.159 2.869 3.386 0.116 12 0 "[ . 1 . 2]" 1
10 1 3 GLU QB 1 4 TRP H . . 3.560 2.374 1.971 3.139 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU QG 1 4 TRP HD1 . . 5.640 4.028 2.483 5.131 . 0 0 "[ . 1 . 2]" 1
12 1 4 TRP H 1 4 TRP HB2 . . 2.680 2.531 2.381 2.701 0.021 16 0 "[ . 1 . 2]" 1
13 1 4 TRP H 1 4 TRP HD1 . . 3.950 2.385 2.030 2.825 . 0 0 "[ . 1 . 2]" 1
14 1 4 TRP HA 1 4 TRP HE3 . . 4.040 3.978 3.788 4.119 0.079 8 0 "[ . 1 . 2]" 1
15 1 4 TRP HA 1 5 GLU H . . 2.620 2.385 2.272 2.508 . 0 0 "[ . 1 . 2]" 1
16 1 4 TRP HA 1 43 MET QG . . 5.730 4.345 3.960 4.787 . 0 0 "[ . 1 . 2]" 1
17 1 4 TRP HB2 1 4 TRP HD1 . . 3.330 3.011 2.901 3.301 . 0 0 "[ . 1 . 2]" 1
18 1 4 TRP HB2 1 4 TRP HE3 . . 3.700 3.810 3.741 3.867 0.167 14 0 "[ . 1 . 2]" 1
19 1 4 TRP HB2 1 5 GLU H . . 3.580 3.648 3.589 3.744 0.164 8 0 "[ . 1 . 2]" 1
20 1 4 TRP HB2 1 43 MET QG . . 4.990 3.531 2.936 4.222 . 0 0 "[ . 1 . 2]" 1
21 1 4 TRP HE3 1 5 GLU H . . 4.630 3.896 3.569 4.349 . 0 0 "[ . 1 . 2]" 1
22 1 4 TRP HE3 1 43 MET QG . . 4.150 2.293 2.112 2.538 . 0 0 "[ . 1 . 2]" 1
23 1 4 TRP HE3 1 44 LYS H . . 4.200 3.606 3.154 4.239 0.039 12 0 "[ . 1 . 2]" 1
24 1 4 TRP HZ2 1 45 LYS QB . . 6.380 4.379 3.633 5.025 . 0 0 "[ . 1 . 2]" 1
25 1 4 TRP HZ2 1 45 LYS QD . . 6.380 4.445 3.306 5.193 . 0 0 "[ . 1 . 2]" 1
26 1 4 TRP HZ3 1 43 MET QG . . 5.140 4.094 3.519 4.428 . 0 0 "[ . 1 . 2]" 1
27 1 4 TRP HZ3 1 44 LYS HA . . 5.500 4.204 3.595 5.549 0.049 12 0 "[ . 1 . 2]" 1
28 1 4 TRP HZ3 1 61 TYR HA . . 5.470 5.457 5.203 5.564 0.094 8 0 "[ . 1 . 2]" 1
29 1 4 TRP HZ3 1 62 GLN H . . 3.830 3.797 3.504 3.899 0.069 2 0 "[ . 1 . 2]" 1
30 1 5 GLU H 1 5 GLU HB2 . . 3.610 2.827 2.559 3.766 0.156 16 0 "[ . 1 . 2]" 1
31 1 5 GLU H 1 5 GLU QB . . 3.210 2.662 2.514 3.005 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLU H 1 5 GLU HB3 . . 3.610 3.566 2.912 3.788 0.178 9 0 "[ . 1 . 2]" 1
33 1 5 GLU H 1 5 GLU QG . . 4.830 3.655 2.527 4.366 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLU H 1 43 MET QG . . 4.550 3.113 2.682 3.580 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLU H 1 44 LYS H . . 3.860 2.929 2.655 3.064 . 0 0 "[ . 1 . 2]" 1
36 1 5 GLU HA 1 6 ILE H . . 2.710 2.364 2.242 2.541 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLU HA 1 6 ILE QG . . 5.570 3.971 3.243 4.515 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLU HB2 1 6 ILE H . . 3.550 3.606 2.248 3.742 0.192 1 0 "[ . 1 . 2]" 1
39 1 5 GLU HB3 1 6 ILE H . . 3.550 2.588 2.268 3.648 0.098 16 0 "[ . 1 . 2]" 1
40 1 5 GLU QG 1 44 LYS QE . . 5.020 3.369 2.492 3.935 . 0 0 "[ . 1 . 2]" 1
41 1 6 ILE H 1 6 ILE HA . . 2.830 2.888 2.842 2.946 0.116 4 0 "[ . 1 . 2]" 1
42 1 6 ILE H 1 6 ILE HB . . 3.950 3.373 2.452 3.672 . 0 0 "[ . 1 . 2]" 1
43 1 6 ILE H 1 6 ILE HG12 . . 3.670 2.787 2.053 3.518 . 0 0 "[ . 1 . 2]" 1
44 1 6 ILE H 1 6 ILE QG . . 3.440 2.115 1.987 2.333 . 0 0 "[ . 1 . 2]" 1
45 1 6 ILE H 1 6 ILE HG13 . . 3.670 2.503 2.013 3.680 0.010 4 0 "[ . 1 . 2]" 1
46 1 6 ILE HA 1 6 ILE HB . . 2.990 2.596 2.412 3.031 0.041 12 0 "[ . 1 . 2]" 1
47 1 6 ILE HA 1 7 ILE H . . 2.400 2.226 2.144 2.330 . 0 0 "[ . 1 . 2]" 1
48 1 6 ILE HA 1 43 MET HA . . 3.300 3.240 2.954 3.391 0.091 10 0 "[ . 1 . 2]" 1
49 1 6 ILE HA 1 43 MET QG . . 5.170 3.253 2.539 4.158 . 0 0 "[ . 1 . 2]" 1
50 1 6 ILE HA 1 44 LYS H . . 4.260 3.877 3.530 4.186 . 0 0 "[ . 1 . 2]" 1
51 1 6 ILE HB 1 7 ILE H . . 3.980 3.062 2.473 4.046 0.066 14 0 "[ . 1 . 2]" 1
52 1 6 ILE MG 1 7 ILE H . . 4.640 3.410 2.319 3.840 . 0 0 "[ . 1 . 2]" 1
53 1 7 ILE H 1 7 ILE HB . . 3.170 2.603 2.317 3.322 0.152 5 0 "[ . 1 . 2]" 1
54 1 7 ILE H 1 7 ILE MD . . 5.380 4.333 4.153 4.498 . 0 0 "[ . 1 . 2]" 1
55 1 7 ILE H 1 7 ILE MG . . 3.580 1.944 1.764 2.166 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE H 1 43 MET HA . . 3.390 3.150 2.777 3.507 0.117 5 0 "[ . 1 . 2]" 1
57 1 7 ILE MD 1 42 CYS H . . 5.380 4.145 3.815 4.448 . 0 0 "[ . 1 . 2]" 1
58 1 7 ILE QG 1 42 CYS QB . . 4.370 3.186 2.317 3.765 . 0 0 "[ . 1 . 2]" 1
59 1 7 ILE QG 1 43 MET H . . 6.380 4.987 3.882 5.623 . 0 0 "[ . 1 . 2]" 1
60 1 7 ILE HG12 1 42 CYS HB2 . . 5.390 3.864 2.941 5.280 . 0 0 "[ . 1 . 2]" 1
61 1 7 ILE HG12 1 42 CYS HB3 . . 5.390 4.790 4.145 5.464 0.074 4 0 "[ . 1 . 2]" 1
62 1 7 ILE HG13 1 42 CYS HB2 . . 5.390 4.247 2.374 5.079 . 0 0 "[ . 1 . 2]" 1
63 1 7 ILE HG13 1 42 CYS HB3 . . 5.390 4.856 3.313 5.469 0.079 17 0 "[ . 1 . 2]" 1
64 1 7 ILE MG 1 42 CYS H . . 5.940 2.016 1.836 2.472 . 0 0 "[ . 1 . 2]" 1
65 1 7 ILE MG 1 42 CYS HB2 . . 4.640 2.135 2.047 2.353 . 0 0 "[ . 1 . 2]" 1
66 1 7 ILE MG 1 42 CYS QB . . 4.450 2.102 2.009 2.319 . 0 0 "[ . 1 . 2]" 1
67 1 7 ILE MG 1 42 CYS HB3 . . 4.640 3.242 2.413 3.666 . 0 0 "[ . 1 . 2]" 1
68 1 7 ILE MG 1 43 MET H . . 5.880 3.856 2.649 4.219 . 0 0 "[ . 1 . 2]" 1
69 1 7 ILE MG 1 43 MET HA . . 5.190 3.423 2.202 3.792 . 0 0 "[ . 1 . 2]" 1
70 1 7 ILE MG 1 44 LYS H . . 5.850 4.881 3.199 5.141 . 0 0 "[ . 1 . 2]" 1
71 1 8 ASP HA 1 9 ILE H . . 2.650 2.458 2.168 2.812 0.162 14 0 "[ . 1 . 2]" 1
72 1 9 ILE H 1 9 ILE HB . . 3.080 2.592 2.413 3.095 0.015 7 0 "[ . 1 . 2]" 1
73 1 9 ILE H 1 9 ILE QG . . 4.180 2.650 2.157 3.499 . 0 0 "[ . 1 . 2]" 1
74 1 9 ILE H 1 9 ILE MG . . 4.450 3.857 3.797 4.003 . 0 0 "[ . 1 . 2]" 1
75 1 9 ILE HA 1 9 ILE MD . . 3.890 2.196 2.118 2.296 . 0 0 "[ . 1 . 2]" 1
76 1 9 ILE HA 1 10 GLY H . . 2.650 2.515 2.230 2.700 0.050 13 0 "[ . 1 . 2]" 1
77 1 9 ILE HB 1 10 GLY H . . 3.450 3.429 2.827 3.601 0.151 5 0 "[ . 1 . 2]" 1
78 1 9 ILE MD 1 10 GLY H . . 4.540 3.732 3.630 3.918 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLY H 1 13 THR MG . . 6.530 2.919 2.464 4.464 . 0 0 "[ . 1 . 2]" 1
80 1 10 GLY H 1 14 GLN H . . 4.570 4.365 3.758 4.866 0.296 10 0 "[ . 1 . 2]" 1
81 1 10 GLY QA 1 14 GLN QE . . 6.030 3.594 2.171 4.758 . 0 0 "[ . 1 . 2]" 1
82 1 11 PRO QD 1 12 PHE H . . 5.530 3.639 2.602 4.136 . 0 0 "[ . 1 . 2]" 1
83 1 12 PHE H 1 12 PHE HA . . 2.830 2.856 2.750 2.930 0.100 9 0 "[ . 1 . 2]" 1
84 1 12 PHE H 1 12 PHE HB2 . . 3.300 2.767 2.066 3.329 0.029 19 0 "[ . 1 . 2]" 1
85 1 12 PHE H 1 12 PHE HB3 . . 3.050 3.037 2.767 3.156 0.106 5 0 "[ . 1 . 2]" 1
86 1 12 PHE H 1 13 THR H . . 3.170 2.843 2.517 3.115 . 0 0 "[ . 1 . 2]" 1
87 1 12 PHE HA 1 12 PHE HB2 . . 2.650 2.616 2.470 2.738 0.088 7 0 "[ . 1 . 2]" 1
88 1 12 PHE HA 1 12 PHE HB3 . . 3.020 3.019 2.947 3.053 0.033 14 0 "[ . 1 . 2]" 1
89 1 12 PHE HA 1 15 ASN QB . . 5.700 2.624 2.355 3.048 . 0 0 "[ . 1 . 2]" 1
90 1 12 PHE HA 1 16 LEU H . . 4.110 3.996 3.752 4.246 0.136 20 0 "[ . 1 . 2]" 1
91 1 12 PHE HB2 1 13 THR H . . 3.610 3.499 3.332 3.635 0.025 13 0 "[ . 1 . 2]" 1
92 1 12 PHE HB3 1 13 THR H . . 2.860 2.229 1.916 2.823 . 0 0 "[ . 1 . 2]" 1
93 1 13 THR H 1 13 THR HB . . 3.080 2.504 2.338 2.780 . 0 0 "[ . 1 . 2]" 1
94 1 13 THR H 1 13 THR MG . . 3.550 2.236 1.998 2.613 . 0 0 "[ . 1 . 2]" 1
95 1 13 THR H 1 14 GLN H . . 2.650 2.702 2.487 2.771 0.121 18 0 "[ . 1 . 2]" 1
96 1 13 THR HA 1 13 THR HB . . 2.740 2.463 2.306 2.601 . 0 0 "[ . 1 . 2]" 1
97 1 13 THR HA 1 16 LEU H . . 4.010 3.619 3.141 3.958 . 0 0 "[ . 1 . 2]" 1
98 1 13 THR HA 1 16 LEU HB2 . . 4.230 2.923 2.261 3.588 . 0 0 "[ . 1 . 2]" 1
99 1 13 THR HA 1 16 LEU HG . . 5.070 4.397 3.491 5.131 0.061 7 0 "[ . 1 . 2]" 1
100 1 13 THR HB 1 14 GLN H . . 4.200 3.931 3.826 4.157 . 0 0 "[ . 1 . 2]" 1
101 1 13 THR MG 1 40 ARG HE . . 6.530 4.212 2.536 5.295 . 0 0 "[ . 1 . 2]" 1
102 1 14 GLN H 1 14 GLN HB2 . . 2.770 2.115 2.052 2.181 . 0 0 "[ . 1 . 2]" 1
103 1 14 GLN H 1 14 GLN HB3 . . 3.240 3.351 3.190 3.460 0.220 12 0 "[ . 1 . 2]" 1
104 1 14 GLN H 1 14 GLN QG . . 4.460 3.453 2.531 3.944 . 0 0 "[ . 1 . 2]" 1
105 1 14 GLN H 1 15 ASN H . . 2.990 2.649 2.515 2.814 . 0 0 "[ . 1 . 2]" 1
106 1 14 GLN HA 1 14 GLN HB2 . . 2.930 2.948 2.828 3.014 0.084 13 0 "[ . 1 . 2]" 1
107 1 14 GLN HA 1 14 GLN HB3 . . 2.860 2.784 2.603 2.918 0.058 19 0 "[ . 1 . 2]" 1
108 1 14 GLN HA 1 14 GLN QG . . 3.720 2.218 2.126 2.325 . 0 0 "[ . 1 . 2]" 1
109 1 14 GLN HA 1 17 ALA H . . 3.300 3.340 3.227 3.416 0.116 9 0 "[ . 1 . 2]" 1
110 1 14 GLN HA 1 17 ALA MB . . 4.230 2.342 2.197 2.683 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLN HB2 1 15 ASN H . . 3.210 3.042 2.608 3.321 0.111 19 0 "[ . 1 . 2]" 1
112 1 14 GLN HB3 1 15 ASN H . . 3.080 3.096 2.895 3.198 0.118 12 0 "[ . 1 . 2]" 1
113 1 14 GLN QG 1 18 LYS QG . . 7.250 4.631 3.707 5.638 . 0 0 "[ . 1 . 2]" 1
114 1 15 ASN H 1 15 ASN HA . . 2.860 2.804 2.779 2.833 . 0 0 "[ . 1 . 2]" 1
115 1 15 ASN H 1 15 ASN HB2 . . 3.480 2.296 2.074 2.484 . 0 0 "[ . 1 . 2]" 1
116 1 15 ASN H 1 15 ASN QB . . 3.110 2.200 2.050 2.356 . 0 0 "[ . 1 . 2]" 1
117 1 15 ASN H 1 15 ASN HB3 . . 3.480 2.945 2.593 3.573 0.093 3 0 "[ . 1 . 2]" 1
118 1 15 ASN H 1 16 LEU H . . 2.990 2.870 2.682 3.025 0.035 5 0 "[ . 1 . 2]" 1
119 1 15 ASN HA 1 16 LEU H . . 3.550 3.569 3.501 3.645 0.095 7 0 "[ . 1 . 2]" 1
120 1 15 ASN HA 1 18 LYS H . . 4.070 3.720 3.404 4.060 . 0 0 "[ . 1 . 2]" 1
121 1 15 ASN QB 1 16 LEU H . . 3.250 2.404 2.165 2.714 . 0 0 "[ . 1 . 2]" 1
122 1 15 ASN HB2 1 16 LEU H . . 3.520 3.441 2.462 3.700 0.180 16 0 "[ . 1 . 2]" 1
123 1 15 ASN HB3 1 16 LEU H . . 3.520 2.511 2.183 3.204 . 0 0 "[ . 1 . 2]" 1
124 1 15 ASN QD 1 16 LEU QD . . 8.780 4.256 2.640 5.656 . 0 0 "[ . 1 . 2]" 1
125 1 15 ASN QD 1 19 PHE H . . 6.370 4.919 3.186 5.712 . 0 0 "[ . 1 . 2]" 1
126 1 16 LEU H 1 16 LEU HB2 . . 2.550 2.398 2.117 2.549 . 0 0 "[ . 1 . 2]" 1
127 1 16 LEU H 1 16 LEU MD1 . . 5.880 3.191 2.000 3.774 . 0 0 "[ . 1 . 2]" 1
128 1 16 LEU H 1 16 LEU HG . . 3.300 2.618 2.177 3.471 0.171 4 0 "[ . 1 . 2]" 1
129 1 16 LEU H 1 17 ALA H . . 2.860 2.784 2.653 2.916 0.056 14 0 "[ . 1 . 2]" 1
130 1 16 LEU H 1 17 ALA MB . . 5.290 4.391 4.304 4.500 . 0 0 "[ . 1 . 2]" 1
131 1 16 LEU HA 1 16 LEU HG . . 3.480 2.840 2.330 3.299 . 0 0 "[ . 1 . 2]" 1
132 1 16 LEU HA 1 19 PHE H . . 3.480 3.382 3.094 3.570 0.090 4 0 "[ . 1 . 2]" 1
133 1 16 LEU HA 1 19 PHE HB2 . . 3.790 2.977 2.547 3.225 . 0 0 "[ . 1 . 2]" 1
134 1 16 LEU HA 1 19 PHE HB3 . . 3.050 2.390 2.145 2.616 . 0 0 "[ . 1 . 2]" 1
135 1 16 LEU HA 1 20 ALA H . . 3.830 3.820 3.510 3.960 0.130 4 0 "[ . 1 . 2]" 1
136 1 16 LEU HA 1 89 ARG HE . . 4.510 4.647 4.551 4.763 0.253 15 0 "[ . 1 . 2]" 1
137 1 16 LEU HB2 1 17 ALA H . . 2.900 2.607 2.455 2.901 0.001 1 0 "[ . 1 . 2]" 1
138 1 16 LEU QD 1 61 TYR QB . . 7.860 2.090 1.945 2.370 . 0 0 "[ . 1 . 2]" 1
139 1 16 LEU QD 1 61 TYR QD . . 4.890 2.331 2.183 2.531 . 0 0 "[ . 1 . 2]" 1
140 1 16 LEU QD 1 61 TYR QE . . 7.260 3.121 2.342 3.771 . 0 0 "[ . 1 . 2]" 1
141 1 16 LEU QD 1 63 LEU QD . . 7.380 2.053 1.822 2.445 . 0 0 "[ . 1 . 2]" 1
142 1 16 LEU QD 1 76 ILE HB . . 8.100 2.244 1.989 3.037 . 0 0 "[ . 1 . 2]" 1
143 1 16 LEU QD 1 76 ILE MD . . 9.030 2.775 1.847 3.799 . 0 0 "[ . 1 . 2]" 1
144 1 16 LEU QD 1 85 ARG QG . . 8.980 4.138 2.858 5.072 . 0 0 "[ . 1 . 2]" 1
145 1 16 LEU MD1 1 61 TYR HB2 . . 9.510 2.772 2.091 4.337 . 0 0 "[ . 1 . 2]" 1
146 1 16 LEU MD1 1 61 TYR HB3 . . 9.510 2.805 2.164 4.603 . 0 0 "[ . 1 . 2]" 1
147 1 16 LEU MD1 1 61 TYR QD . . 5.410 2.883 2.264 3.864 . 0 0 "[ . 1 . 2]" 1
148 1 16 LEU MD1 1 63 LEU MD1 . . 9.270 4.023 2.061 6.023 . 0 0 "[ . 1 . 2]" 1
149 1 16 LEU MD1 1 63 LEU MD2 . . 9.270 2.472 1.939 4.112 . 0 0 "[ . 1 . 2]" 1
150 1 16 LEU MD2 1 61 TYR HB2 . . 9.510 3.028 2.115 3.979 . 0 0 "[ . 1 . 2]" 1
151 1 16 LEU MD2 1 61 TYR HB3 . . 9.510 3.810 2.605 4.720 . 0 0 "[ . 1 . 2]" 1
152 1 16 LEU MD2 1 61 TYR QD . . 5.410 2.633 2.215 3.519 . 0 0 "[ . 1 . 2]" 1
153 1 16 LEU MD2 1 63 LEU MD1 . . 9.270 4.129 2.015 5.129 . 0 0 "[ . 1 . 2]" 1
154 1 16 LEU MD2 1 63 LEU MD2 . . 9.270 3.134 1.945 4.600 . 0 0 "[ . 1 . 2]" 1
155 1 16 LEU HG 1 17 ALA H . . 5.100 4.619 4.288 4.996 . 0 0 "[ . 1 . 2]" 1
156 1 16 LEU HG 1 61 TYR QD . . 4.540 4.533 4.430 4.653 0.113 13 0 "[ . 1 . 2]" 1
157 1 17 ALA H 1 17 ALA MB . . 3.520 2.208 2.179 2.241 . 0 0 "[ . 1 . 2]" 1
158 1 17 ALA H 1 18 LYS H . . 3.240 2.847 2.777 2.936 . 0 0 "[ . 1 . 2]" 1
159 1 17 ALA H 1 38 VAL QG . . 8.090 4.944 4.033 5.885 . 0 0 "[ . 1 . 2]" 1
160 1 17 ALA H 1 63 LEU MD1 . . 6.530 4.713 3.900 5.362 . 0 0 "[ . 1 . 2]" 1
161 1 17 ALA H 1 63 LEU QD . . 5.730 3.860 3.560 4.154 . 0 0 "[ . 1 . 2]" 1
162 1 17 ALA H 1 63 LEU MD2 . . 6.530 4.176 3.679 4.788 . 0 0 "[ . 1 . 2]" 1
163 1 17 ALA HA 1 20 ALA H . . 4.040 3.717 3.371 4.005 . 0 0 "[ . 1 . 2]" 1
164 1 17 ALA HA 1 65 VAL QG . . 6.010 3.966 3.183 4.381 . 0 0 "[ . 1 . 2]" 1
165 1 18 LYS H 1 18 LYS HB2 . . 2.590 2.136 2.054 2.260 . 0 0 "[ . 1 . 2]" 1
166 1 18 LYS H 1 18 LYS QD . . 4.710 4.318 4.248 4.406 . 0 0 "[ . 1 . 2]" 1
167 1 18 LYS H 1 18 LYS QG . . 4.210 3.356 3.038 3.577 . 0 0 "[ . 1 . 2]" 1
168 1 18 LYS H 1 19 PHE H . . 3.020 2.774 2.578 2.885 . 0 0 "[ . 1 . 2]" 1
169 1 18 LYS HA 1 18 LYS HB2 . . 2.930 2.919 2.821 2.978 0.048 15 0 "[ . 1 . 2]" 1
170 1 18 LYS HA 1 18 LYS QD . . 3.900 2.139 2.074 2.223 . 0 0 "[ . 1 . 2]" 1
171 1 18 LYS HA 1 18 LYS HG2 . . 3.980 2.533 2.406 2.697 . 0 0 "[ . 1 . 2]" 1
172 1 18 LYS HA 1 18 LYS QG . . 3.540 2.484 2.370 2.625 . 0 0 "[ . 1 . 2]" 1
173 1 18 LYS HA 1 18 LYS HG3 . . 3.980 3.597 3.563 3.623 . 0 0 "[ . 1 . 2]" 1
174 1 18 LYS HA 1 21 VAL H . . 4.040 3.459 3.339 3.645 . 0 0 "[ . 1 . 2]" 1
175 1 18 LYS HA 1 21 VAL HB . . 3.300 3.204 2.659 3.408 0.108 7 0 "[ . 1 . 2]" 1
176 1 18 LYS HA 1 21 VAL QG . . 7.310 3.474 2.861 3.841 . 0 0 "[ . 1 . 2]" 1
177 1 18 LYS HB2 1 19 PHE H . . 3.170 3.034 2.682 3.233 0.063 4 0 "[ . 1 . 2]" 1
178 1 18 LYS QD 1 19 PHE H . . 6.220 4.394 4.129 4.657 . 0 0 "[ . 1 . 2]" 1
179 1 18 LYS QD 1 22 ASP HA . . 4.610 4.191 4.001 4.277 . 0 0 "[ . 1 . 2]" 1
180 1 18 LYS QD 1 22 ASP QB . . 5.000 2.356 2.123 2.590 . 0 0 "[ . 1 . 2]" 1
181 1 18 LYS HD2 1 22 ASP HB2 . . 6.350 2.484 2.260 2.697 . 0 0 "[ . 1 . 2]" 1
182 1 18 LYS HD2 1 22 ASP HB3 . . 6.350 3.576 2.931 4.091 . 0 0 "[ . 1 . 2]" 1
183 1 18 LYS HD3 1 22 ASP HB2 . . 6.350 3.356 2.656 4.051 . 0 0 "[ . 1 . 2]" 1
184 1 18 LYS HD3 1 22 ASP HB3 . . 6.350 4.454 3.676 5.324 . 0 0 "[ . 1 . 2]" 1
185 1 19 PHE H 1 19 PHE HB2 . . 2.900 2.365 2.175 2.481 . 0 0 "[ . 1 . 2]" 1
186 1 19 PHE H 1 19 PHE HB3 . . 2.710 2.658 2.533 2.751 0.041 12 0 "[ . 1 . 2]" 1
187 1 19 PHE H 1 19 PHE HD1 . . 5.190 4.657 4.385 5.058 . 0 0 "[ . 1 . 2]" 1
188 1 19 PHE H 1 20 ALA H . . 3.020 2.952 2.858 3.037 0.017 15 0 "[ . 1 . 2]" 1
189 1 19 PHE HA 1 19 PHE HB2 . . 2.740 2.500 2.438 2.554 . 0 0 "[ . 1 . 2]" 1
190 1 19 PHE HA 1 22 ASP QB . . 3.780 2.654 2.275 2.952 . 0 0 "[ . 1 . 2]" 1
191 1 19 PHE HB2 1 20 ALA H . . 3.670 3.743 3.705 3.781 0.111 8 0 "[ . 1 . 2]" 1
192 1 19 PHE HB3 1 20 ALA H . . 2.770 2.423 2.309 2.536 . 0 0 "[ . 1 . 2]" 1
193 1 19 PHE HB3 1 89 ARG HE . . 3.550 3.282 2.866 3.588 0.038 9 0 "[ . 1 . 2]" 1
194 1 19 PHE HD1 1 20 ALA H . . 5.220 4.724 3.223 5.448 0.228 14 0 "[ . 1 . 2]" 1
195 1 19 PHE QE 1 87 LEU H . . 4.760 4.034 2.786 4.692 . 0 0 "[ . 1 . 2]" 1
196 1 19 PHE HZ 1 85 ARG QB . . 3.680 2.893 2.536 3.182 . 0 0 "[ . 1 . 2]" 1
197 1 19 PHE HZ 1 86 LYS QE . . 4.580 4.280 4.149 4.405 . 0 0 "[ . 1 . 2]" 1
198 1 19 PHE HZ 1 87 LEU QB . . 4.990 3.692 3.009 4.199 . 0 0 "[ . 1 . 2]" 1
199 1 19 PHE HZ 1 87 LEU HG . . 4.970 4.948 4.507 5.178 0.208 16 0 "[ . 1 . 2]" 1
200 1 20 ALA H 1 20 ALA HA . . 2.830 2.778 2.730 2.832 0.002 15 0 "[ . 1 . 2]" 1
201 1 20 ALA H 1 20 ALA MB . . 3.430 2.272 2.202 2.439 . 0 0 "[ . 1 . 2]" 1
202 1 20 ALA H 1 21 VAL H . . 3.110 3.072 2.960 3.152 0.042 20 0 "[ . 1 . 2]" 1
203 1 20 ALA H 1 89 ARG HE . . 5.500 3.302 2.501 3.730 . 0 0 "[ . 1 . 2]" 1
204 1 20 ALA HA 1 23 GLU QB . . 4.640 3.880 3.407 4.288 . 0 0 "[ . 1 . 2]" 1
205 1 20 ALA HA 1 89 ARG HB3 . . 4.720 4.749 4.085 4.943 0.223 9 0 "[ . 1 . 2]" 1
206 1 20 ALA HA 1 89 ARG HE . . 4.760 2.714 2.263 3.083 . 0 0 "[ . 1 . 2]" 1
207 1 20 ALA MB 1 21 VAL H . . 4.200 2.343 2.088 2.682 . 0 0 "[ . 1 . 2]" 1
208 1 20 ALA MB 1 89 ARG HE . . 5.660 3.147 2.137 3.753 . 0 0 "[ . 1 . 2]" 1
209 1 20 ALA MB 1 90 PHE QD . . 4.950 3.838 3.396 4.103 . 0 0 "[ . 1 . 2]" 1
210 1 20 ALA MB 1 90 PHE QE . . 5.160 3.626 2.149 4.222 . 0 0 "[ . 1 . 2]" 1
211 1 21 VAL H 1 21 VAL HB . . 2.430 2.491 2.416 2.543 0.113 13 0 "[ . 1 . 2]" 1
212 1 21 VAL H 1 21 VAL MG1 . . 4.730 3.781 3.754 3.825 . 0 0 "[ . 1 . 2]" 1
213 1 21 VAL H 1 21 VAL QG . . 4.090 2.187 2.008 2.473 . 0 0 "[ . 1 . 2]" 1
214 1 21 VAL H 1 21 VAL MG2 . . 4.730 2.202 2.016 2.506 . 0 0 "[ . 1 . 2]" 1
215 1 21 VAL H 1 22 ASP H . . 3.050 2.620 2.344 2.826 . 0 0 "[ . 1 . 2]" 1
216 1 21 VAL HA 1 24 GLU H . . 4.200 3.952 3.621 4.236 0.036 12 0 "[ . 1 . 2]" 1
217 1 21 VAL HA 1 24 GLU QB . . 4.610 2.829 2.349 3.277 . 0 0 "[ . 1 . 2]" 1
218 1 21 VAL HA 1 90 PHE QE . . 5.100 5.032 4.266 5.226 0.126 11 0 "[ . 1 . 2]" 1
219 1 21 VAL HB 1 22 ASP H . . 2.960 2.363 2.120 2.822 . 0 0 "[ . 1 . 2]" 1
220 1 21 VAL QG 1 22 ASP H . . 4.550 3.104 2.835 3.402 . 0 0 "[ . 1 . 2]" 1
221 1 21 VAL QG 1 25 ASN QD . . 6.530 2.965 2.144 3.562 . 0 0 "[ . 1 . 2]" 1
222 1 21 VAL QG 1 35 PHE H . . 6.320 4.395 3.318 4.913 . 0 0 "[ . 1 . 2]" 1
223 1 21 VAL QG 1 35 PHE QB . . 7.510 4.190 2.205 4.838 . 0 0 "[ . 1 . 2]" 1
224 1 21 VAL QG 1 36 ASN H . . 8.090 4.807 4.177 5.242 . 0 0 "[ . 1 . 2]" 1
225 1 21 VAL QG 1 36 ASN QD . . 6.970 4.442 4.152 4.597 . 0 0 "[ . 1 . 2]" 1
226 1 21 VAL QG 1 90 PHE HZ . . 8.090 5.601 4.581 6.131 . 0 0 "[ . 1 . 2]" 1
227 1 21 VAL MG1 1 22 ASP H . . 4.880 3.318 2.945 3.714 . 0 0 "[ . 1 . 2]" 1
228 1 21 VAL MG1 1 25 ASN HD21 . . 8.160 3.153 2.347 3.789 . 0 0 "[ . 1 . 2]" 1
229 1 21 VAL MG1 1 25 ASN HD22 . . 8.160 3.791 2.430 4.527 . 0 0 "[ . 1 . 2]" 1
230 1 21 VAL MG1 1 35 PHE HB2 . . 9.150 5.362 3.843 6.048 . 0 0 "[ . 1 . 2]" 1
231 1 21 VAL MG1 1 35 PHE HB3 . . 9.150 5.399 2.547 6.666 . 0 0 "[ . 1 . 2]" 1
232 1 21 VAL MG2 1 22 ASP H . . 4.880 3.750 3.646 3.947 . 0 0 "[ . 1 . 2]" 1
233 1 21 VAL MG2 1 25 ASN HD21 . . 8.160 5.305 4.526 5.848 . 0 0 "[ . 1 . 2]" 1
234 1 21 VAL MG2 1 25 ASN HD22 . . 8.160 6.073 4.671 6.907 . 0 0 "[ . 1 . 2]" 1
235 1 21 VAL MG2 1 35 PHE HB2 . . 9.150 5.485 3.101 6.212 . 0 0 "[ . 1 . 2]" 1
236 1 21 VAL MG2 1 35 PHE HB3 . . 9.150 5.270 2.554 6.402 . 0 0 "[ . 1 . 2]" 1
237 1 22 ASP H 1 22 ASP HB2 . . 2.770 2.548 2.356 2.657 . 0 0 "[ . 1 . 2]" 1
238 1 22 ASP H 1 22 ASP QB . . 2.510 2.213 2.159 2.271 . 0 0 "[ . 1 . 2]" 1
239 1 22 ASP H 1 22 ASP HB3 . . 2.770 2.438 2.313 2.579 . 0 0 "[ . 1 . 2]" 1
240 1 22 ASP HA 1 25 ASN H . . 5.220 3.654 3.377 3.939 . 0 0 "[ . 1 . 2]" 1
241 1 22 ASP HA 1 26 LYS H . . 4.110 4.070 3.918 4.144 0.034 7 0 "[ . 1 . 2]" 1
242 1 23 GLU H 1 23 GLU HB2 . . 3.140 2.173 2.018 2.380 . 0 0 "[ . 1 . 2]" 1
243 1 23 GLU H 1 23 GLU QB . . 2.920 2.105 1.997 2.247 . 0 0 "[ . 1 . 2]" 1
244 1 23 GLU H 1 23 GLU HB3 . . 3.140 2.902 2.580 3.382 0.242 10 0 "[ . 1 . 2]" 1
245 1 23 GLU H 1 23 GLU QG . . 3.870 3.720 3.532 3.848 . 0 0 "[ . 1 . 2]" 1
246 1 23 GLU HA 1 23 GLU QB . . 2.670 2.494 2.417 2.565 . 0 0 "[ . 1 . 2]" 1
247 1 23 GLU HA 1 23 GLU QG . . 3.920 2.262 2.109 2.495 . 0 0 "[ . 1 . 2]" 1
248 1 23 GLU HA 1 26 LYS H . . 3.210 3.251 3.163 3.345 0.135 5 0 "[ . 1 . 2]" 1
249 1 23 GLU HA 1 26 LYS QB . . 4.520 2.635 2.168 4.093 . 0 0 "[ . 1 . 2]" 1
250 1 23 GLU QB 1 24 GLU H . . 3.270 2.584 2.362 2.809 . 0 0 "[ . 1 . 2]" 1
251 1 23 GLU HB2 1 24 GLU H . . 3.580 3.545 2.814 3.708 0.128 9 0 "[ . 1 . 2]" 1
252 1 23 GLU HB3 1 24 GLU H . . 3.580 2.682 2.395 3.163 . 0 0 "[ . 1 . 2]" 1
253 1 24 GLU H 1 24 GLU HB2 . . 2.830 2.557 2.254 2.758 . 0 0 "[ . 1 . 2]" 1
254 1 24 GLU H 1 24 GLU HB3 . . 2.830 2.598 2.370 2.889 0.059 18 0 "[ . 1 . 2]" 1
255 1 24 GLU H 1 25 ASN H . . 3.020 2.824 2.642 2.993 . 0 0 "[ . 1 . 2]" 1
256 1 24 GLU H 1 87 LEU QD . . 6.950 4.292 3.320 5.047 . 0 0 "[ . 1 . 2]" 1
257 1 24 GLU HA 1 27 ILE HB . . 3.520 3.203 2.642 3.582 0.062 7 0 "[ . 1 . 2]" 1
258 1 24 GLU QB 1 25 ASN H . . 4.050 2.687 2.446 3.027 . 0 0 "[ . 1 . 2]" 1
259 1 24 GLU QB 1 30 TYR QD . . 4.520 4.002 3.798 4.206 . 0 0 "[ . 1 . 2]" 1
260 1 24 GLU QB 1 90 PHE QE . . 5.230 4.099 3.504 4.565 . 0 0 "[ . 1 . 2]" 1
261 1 24 GLU QB 1 90 PHE HZ . . 6.380 5.670 5.131 6.008 . 0 0 "[ . 1 . 2]" 1
262 1 24 GLU QG 1 25 ASN QD . . 6.590 4.458 3.910 5.097 . 0 0 "[ . 1 . 2]" 1
263 1 24 GLU QG 1 30 TYR QD . . 6.290 2.710 2.213 3.318 . 0 0 "[ . 1 . 2]" 1
264 1 25 ASN H 1 25 ASN HA . . 2.860 2.842 2.765 2.889 0.029 15 0 "[ . 1 . 2]" 1
265 1 25 ASN H 1 25 ASN HB2 . . 3.330 2.169 2.114 2.246 . 0 0 "[ . 1 . 2]" 1
266 1 25 ASN H 1 25 ASN QB . . 2.920 2.134 2.087 2.195 . 0 0 "[ . 1 . 2]" 1
267 1 25 ASN H 1 25 ASN HB3 . . 3.330 3.221 2.855 3.481 0.151 17 0 "[ . 1 . 2]" 1
268 1 25 ASN H 1 26 LYS H . . 2.990 2.733 2.553 2.882 . 0 0 "[ . 1 . 2]" 1
269 1 25 ASN H 1 27 ILE H . . 4.600 4.257 4.093 4.631 0.031 18 0 "[ . 1 . 2]" 1
270 1 25 ASN HA 1 28 GLY H . . 4.630 3.888 3.283 4.351 . 0 0 "[ . 1 . 2]" 1
271 1 25 ASN HB2 1 26 LYS H . . 3.360 3.200 2.694 3.476 0.116 12 0 "[ . 1 . 2]" 1
272 1 25 ASN HB3 1 26 LYS H . . 3.360 2.851 2.428 3.338 . 0 0 "[ . 1 . 2]" 1
273 1 26 LYS H 1 26 LYS QB . . 3.390 2.220 2.033 2.643 . 0 0 "[ . 1 . 2]" 1
274 1 26 LYS H 1 26 LYS QD . . 4.640 4.134 2.802 4.331 . 0 0 "[ . 1 . 2]" 1
275 1 26 LYS H 1 27 ILE H . . 2.800 2.788 2.616 2.913 0.113 7 0 "[ . 1 . 2]" 1
276 1 26 LYS HA 1 26 LYS QD . . 4.640 3.570 2.363 4.085 . 0 0 "[ . 1 . 2]" 1
277 1 26 LYS QB 1 27 ILE H . . 5.570 2.908 2.132 3.785 . 0 0 "[ . 1 . 2]" 1
278 1 26 LYS QD 1 27 ILE H . . 3.990 3.289 2.922 3.827 . 0 0 "[ . 1 . 2]" 1
279 1 27 ILE H 1 27 ILE HB . . 2.930 2.443 2.249 2.592 . 0 0 "[ . 1 . 2]" 1
280 1 27 ILE H 1 27 ILE MD . . 5.690 3.628 2.450 4.098 . 0 0 "[ . 1 . 2]" 1
281 1 27 ILE H 1 27 ILE HG12 . . 4.350 3.192 2.335 4.368 0.018 11 0 "[ . 1 . 2]" 1
282 1 27 ILE H 1 27 ILE QG . . 3.900 2.507 2.022 3.501 . 0 0 "[ . 1 . 2]" 1
283 1 27 ILE H 1 27 ILE HG13 . . 4.350 3.126 2.037 3.954 . 0 0 "[ . 1 . 2]" 1
284 1 27 ILE H 1 28 GLY H . . 2.800 2.558 2.414 2.821 0.021 2 0 "[ . 1 . 2]" 1
285 1 27 ILE HA 1 27 ILE QG . . 3.560 2.606 2.261 3.003 . 0 0 "[ . 1 . 2]" 1
286 1 27 ILE HB 1 28 GLY H . . 3.210 2.544 2.249 2.837 . 0 0 "[ . 1 . 2]" 1
287 1 27 ILE MG 1 28 GLY H . . 4.510 3.192 2.907 3.565 . 0 0 "[ . 1 . 2]" 1
288 1 27 ILE MG 1 29 GLN H . . 4.050 2.754 2.253 3.246 . 0 0 "[ . 1 . 2]" 1
289 1 28 GLY H 1 28 GLY HA2 . . 2.930 2.285 2.250 2.323 . 0 0 "[ . 1 . 2]" 1
290 1 28 GLY H 1 28 GLY QA . . 2.640 2.201 2.160 2.241 . 0 0 "[ . 1 . 2]" 1
291 1 28 GLY H 1 28 GLY HA3 . . 2.930 2.879 2.776 2.949 0.019 3 0 "[ . 1 . 2]" 1
292 1 28 GLY H 1 29 GLN H . . 3.140 2.665 2.430 2.956 . 0 0 "[ . 1 . 2]" 1
293 1 29 GLN H 1 29 GLN QB . . 3.550 2.293 2.162 2.647 . 0 0 "[ . 1 . 2]" 1
294 1 29 GLN H 1 29 GLN QE . . 4.320 3.565 2.912 3.811 . 0 0 "[ . 1 . 2]" 1
295 1 29 GLN H 1 29 GLN QG . . 4.580 3.694 2.552 4.144 . 0 0 "[ . 1 . 2]" 1
296 1 29 GLN H 1 30 TYR H . . 3.140 2.547 2.309 3.062 . 0 0 "[ . 1 . 2]" 1
297 1 29 GLN HA 1 29 GLN QG . . 3.450 2.496 2.183 3.044 . 0 0 "[ . 1 . 2]" 1
298 1 29 GLN QB 1 30 TYR H . . 4.360 2.460 1.995 2.992 . 0 0 "[ . 1 . 2]" 1
299 1 29 GLN QB 1 30 TYR QD . . 6.380 2.971 2.232 5.172 . 0 0 "[ . 1 . 2]" 1
300 1 29 GLN QG 1 30 TYR H . . 6.380 4.164 3.542 4.739 . 0 0 "[ . 1 . 2]" 1
301 1 30 TYR H 1 30 TYR QB . . 3.530 2.982 2.185 3.304 . 0 0 "[ . 1 . 2]" 1
302 1 30 TYR H 1 30 TYR QD . . 5.220 3.113 2.311 4.114 . 0 0 "[ . 1 . 2]" 1
303 1 30 TYR H 1 31 GLY H . . 3.050 2.421 1.944 3.037 . 0 0 "[ . 1 . 2]" 1
304 1 30 TYR QB 1 33 LEU QD . . 8.980 4.626 3.662 5.765 . 0 0 "[ . 1 . 2]" 1
305 1 30 TYR QD 1 31 GLY H . . 2.550 2.546 2.162 2.733 0.183 17 0 "[ . 1 . 2]" 1
306 1 30 TYR QD 1 90 PHE QD . . 3.950 3.658 3.408 3.894 . 0 0 "[ . 1 . 2]" 1
307 1 30 TYR QD 1 90 PHE QE . . 5.500 3.548 2.657 5.013 . 0 0 "[ . 1 . 2]" 1
308 1 30 TYR HE1 1 87 LEU QD . . 8.100 4.006 2.389 8.044 . 0 0 "[ . 1 . 2]" 1
309 1 31 GLY QA 1 32 ARG H . . 2.960 2.237 2.160 2.363 . 0 0 "[ . 1 . 2]" 1
310 1 31 GLY HA2 1 32 ARG H . . 3.390 2.346 2.196 3.494 0.104 12 0 "[ . 1 . 2]" 1
311 1 31 GLY HA3 1 32 ARG H . . 3.390 3.170 2.334 3.445 0.055 1 0 "[ . 1 . 2]" 1
312 1 32 ARG H 1 32 ARG HA . . 2.800 2.851 2.234 2.934 0.134 7 0 "[ . 1 . 2]" 1
313 1 32 ARG H 1 32 ARG QB . . 3.760 2.281 2.098 2.933 . 0 0 "[ . 1 . 2]" 1
314 1 32 ARG H 1 32 ARG QG . . 4.180 3.938 3.777 4.166 . 0 0 "[ . 1 . 2]" 1
315 1 32 ARG HA 1 32 ARG QB . . 2.680 2.439 2.334 2.544 . 0 0 "[ . 1 . 2]" 1
316 1 32 ARG HA 1 33 LEU H . . 2.550 2.513 2.253 2.663 0.113 10 0 "[ . 1 . 2]" 1
317 1 32 ARG HE 1 32 ARG QG . . 3.820 2.572 2.109 3.314 . 0 0 "[ . 1 . 2]" 1
318 1 32 ARG HE 1 65 VAL HB . . 5.500 5.197 4.450 5.633 0.133 11 0 "[ . 1 . 2]" 1
319 1 32 ARG QG 1 36 ASN QD . . 5.750 4.022 2.037 4.698 . 0 0 "[ . 1 . 2]" 1
320 1 33 LEU H 1 33 LEU QB . . 3.370 2.928 2.339 3.247 . 0 0 "[ . 1 . 2]" 1
321 1 33 LEU H 1 33 LEU HG . . 4.600 3.762 2.198 4.590 . 0 0 "[ . 1 . 2]" 1
322 1 33 LEU HA 1 34 THR H . . 3.170 3.195 2.733 3.324 0.154 4 0 "[ . 1 . 2]" 1
323 1 33 LEU HA 1 67 ALA MB . . 6.220 4.740 4.462 5.433 . 0 0 "[ . 1 . 2]" 1
324 1 33 LEU QB 1 34 THR H . . 4.240 1.930 1.806 2.200 . 0 0 "[ . 1 . 2]" 1
325 1 33 LEU QB 1 34 THR HB . . 4.800 4.087 3.836 4.400 . 0 0 "[ . 1 . 2]" 1
326 1 33 LEU QD 1 34 THR H . . 6.980 3.506 1.709 3.769 . 0 0 "[ . 1 . 2]" 1
327 1 33 LEU QD 1 67 ALA HA . . 7.790 3.892 2.124 4.340 . 0 0 "[ . 1 . 2]" 1
328 1 33 LEU QD 1 67 ALA MB . . 8.510 1.979 1.699 2.348 . 0 0 "[ . 1 . 2]" 1
329 1 33 LEU QD 1 68 SER QB . . 7.210 2.286 1.858 3.170 . 0 0 "[ . 1 . 2]" 1
330 1 33 LEU QD 1 72 PHE QD . . 5.340 3.492 3.174 3.642 . 0 0 "[ . 1 . 2]" 1
331 1 33 LEU QD 1 72 PHE QE . . 4.960 2.715 2.107 2.997 . 0 0 "[ . 1 . 2]" 1
332 1 33 LEU QD 1 90 PHE HZ . . 6.050 2.463 1.967 3.669 . 0 0 "[ . 1 . 2]" 1
333 1 33 LEU MD1 1 72 PHE QD . . 6.470 4.854 3.353 5.223 . 0 0 "[ . 1 . 2]" 1
334 1 33 LEU MD1 1 72 PHE QE . . 5.380 3.469 2.121 4.170 . 0 0 "[ . 1 . 2]" 1
335 1 33 LEU MD2 1 72 PHE QD . . 6.470 3.810 3.206 5.259 . 0 0 "[ . 1 . 2]" 1
336 1 33 LEU MD2 1 72 PHE QE . . 5.380 2.984 2.269 3.813 . 0 0 "[ . 1 . 2]" 1
337 1 34 THR H 1 34 THR HB . . 3.210 2.798 2.326 3.302 0.092 15 0 "[ . 1 . 2]" 1
338 1 34 THR H 1 67 ALA MB . . 6.530 4.044 3.503 4.878 . 0 0 "[ . 1 . 2]" 1
339 1 34 THR H 1 68 SER H . . 3.480 3.630 3.446 3.749 0.269 7 0 "[ . 1 . 2]" 1
340 1 34 THR HA 1 34 THR HB . . 2.930 2.787 2.399 3.023 0.093 19 0 "[ . 1 . 2]" 1
341 1 34 THR HA 1 35 PHE H . . 2.620 2.333 2.091 2.686 0.066 12 0 "[ . 1 . 2]" 1
342 1 34 THR MG 1 35 PHE H . . 4.950 3.406 2.112 4.239 . 0 0 "[ . 1 . 2]" 1
343 1 35 PHE H 1 35 PHE HA . . 2.770 2.571 2.276 2.922 0.152 12 0 "[ . 1 . 2]" 1
344 1 35 PHE H 1 35 PHE QB . . 3.410 2.517 2.012 2.964 . 0 0 "[ . 1 . 2]" 1
345 1 35 PHE H 1 35 PHE HD1 . . 4.820 3.726 2.193 5.088 0.268 7 0 "[ . 1 . 2]" 1
346 1 35 PHE H 1 35 PHE QE . . 5.500 4.833 3.892 5.573 0.073 20 0 "[ . 1 . 2]" 1
347 1 35 PHE H 1 36 ASN H . . 4.350 3.846 3.267 4.308 . 0 0 "[ . 1 . 2]" 1
348 1 35 PHE H 1 36 ASN QD . . 6.060 4.320 3.615 5.170 . 0 0 "[ . 1 . 2]" 1
349 1 35 PHE HA 1 35 PHE HB2 . . 2.960 2.866 2.445 3.031 0.071 5 0 "[ . 1 . 2]" 1
350 1 35 PHE HA 1 35 PHE QB . . 2.710 2.423 2.108 2.569 . 0 0 "[ . 1 . 2]" 1
351 1 35 PHE HA 1 35 PHE HB3 . . 2.960 2.641 2.197 2.984 0.024 20 0 "[ . 1 . 2]" 1
352 1 35 PHE HA 1 36 ASN H . . 2.680 2.336 2.218 2.476 . 0 0 "[ . 1 . 2]" 1
353 1 35 PHE HA 1 36 ASN QD . . 4.760 3.566 3.257 3.909 . 0 0 "[ . 1 . 2]" 1
354 1 36 ASN H 1 36 ASN HB2 . . 3.580 3.231 2.800 3.559 . 0 0 "[ . 1 . 2]" 1
355 1 36 ASN H 1 36 ASN QB . . 3.110 2.829 2.604 2.994 . 0 0 "[ . 1 . 2]" 1
356 1 36 ASN H 1 36 ASN HB3 . . 3.580 3.286 2.686 3.644 0.064 15 0 "[ . 1 . 2]" 1
357 1 36 ASN H 1 36 ASN QD . . 4.910 2.026 1.842 2.257 . 0 0 "[ . 1 . 2]" 1
358 1 36 ASN H 1 37 LYS H . . 3.360 3.441 3.025 3.694 0.334 2 0 "[ . 1 . 2]" 1
359 1 36 ASN H 1 67 ALA HA . . 4.070 4.313 4.168 4.411 0.341 7 0 "[ . 1 . 2]" 1
360 1 36 ASN H 1 67 ALA MB . . 5.660 4.309 4.009 4.576 . 0 0 "[ . 1 . 2]" 1
361 1 36 ASN HA 1 36 ASN QB . . 2.680 2.162 2.101 2.239 . 0 0 "[ . 1 . 2]" 1
362 1 36 ASN HA 1 36 ASN HD22 . . 5.500 4.849 4.503 5.104 . 0 0 "[ . 1 . 2]" 1
363 1 36 ASN HA 1 67 ALA HA . . 5.410 5.100 4.666 5.426 0.016 20 0 "[ . 1 . 2]" 1
364 1 36 ASN QB 1 37 LYS H . . 3.110 1.978 1.758 2.121 . 0 0 "[ . 1 . 2]" 1
365 1 36 ASN QB 1 66 TYR QB . . 5.270 3.320 2.881 3.567 . 0 0 "[ . 1 . 2]" 1
366 1 36 ASN HB2 1 37 LYS H . . 3.450 1.992 1.773 2.141 . 0 0 "[ . 1 . 2]" 1
367 1 36 ASN HB3 1 37 LYS H . . 3.450 3.403 2.902 3.576 0.126 4 0 "[ . 1 . 2]" 1
368 1 36 ASN QD 1 37 LYS H . . 3.950 3.050 2.156 3.695 . 0 0 "[ . 1 . 2]" 1
369 1 37 LYS H 1 37 LYS QG . . 4.610 3.680 2.509 4.260 . 0 0 "[ . 1 . 2]" 1
370 1 37 LYS H 1 38 VAL H . . 4.290 4.279 4.178 4.359 0.069 5 0 "[ . 1 . 2]" 1
371 1 37 LYS H 1 65 VAL QG . . 5.730 3.652 3.406 3.815 . 0 0 "[ . 1 . 2]" 1
372 1 37 LYS H 1 66 TYR H . . 4.010 3.521 3.285 3.666 . 0 0 "[ . 1 . 2]" 1
373 1 37 LYS H 1 66 TYR HB2 . . 4.540 4.478 3.143 4.716 0.176 6 0 "[ . 1 . 2]" 1
374 1 37 LYS H 1 66 TYR QB . . 4.010 3.079 2.827 3.378 . 0 0 "[ . 1 . 2]" 1
375 1 37 LYS H 1 66 TYR HB3 . . 4.540 3.194 2.857 3.777 . 0 0 "[ . 1 . 2]" 1
376 1 37 LYS HA 1 38 VAL H . . 2.650 2.548 2.310 2.719 0.069 19 0 "[ . 1 . 2]" 1
377 1 37 LYS QG 1 38 VAL H . . 3.560 2.528 1.902 3.363 . 0 0 "[ . 1 . 2]" 1
378 1 37 LYS QG 1 66 TYR QB . . 6.230 3.751 2.113 4.816 . 0 0 "[ . 1 . 2]" 1
379 1 38 VAL H 1 38 VAL HB . . 3.020 3.067 2.892 3.197 0.177 3 0 "[ . 1 . 2]" 1
380 1 38 VAL HA 1 39 ILE H . . 2.490 2.285 2.224 2.389 . 0 0 "[ . 1 . 2]" 1
381 1 38 VAL HA 1 65 VAL HA . . 3.080 2.169 2.039 2.527 . 0 0 "[ . 1 . 2]" 1
382 1 38 VAL HA 1 65 VAL QG . . 7.190 3.115 2.757 3.569 . 0 0 "[ . 1 . 2]" 1
383 1 38 VAL HA 1 66 TYR H . . 3.240 2.314 2.088 2.715 . 0 0 "[ . 1 . 2]" 1
384 1 38 VAL HB 1 65 VAL HA . . 2.990 3.043 2.824 3.109 0.119 9 0 "[ . 1 . 2]" 1
385 1 38 VAL QG 1 39 ILE H . . 4.700 2.520 2.360 2.674 . 0 0 "[ . 1 . 2]" 1
386 1 38 VAL QG 1 40 ARG HE . . 6.170 3.146 1.797 4.362 . 0 0 "[ . 1 . 2]" 1
387 1 38 VAL MG1 1 39 ILE H . . 5.350 3.971 3.738 4.179 . 0 0 "[ . 1 . 2]" 1
388 1 38 VAL MG2 1 39 ILE H . . 5.350 2.548 2.381 2.714 . 0 0 "[ . 1 . 2]" 1
389 1 39 ILE H 1 39 ILE HB . . 3.980 3.682 3.615 3.736 . 0 0 "[ . 1 . 2]" 1
390 1 39 ILE H 1 39 ILE MD . . 4.510 3.813 3.713 3.937 . 0 0 "[ . 1 . 2]" 1
391 1 39 ILE H 1 39 ILE QG . . 4.270 2.190 1.996 2.319 . 0 0 "[ . 1 . 2]" 1
392 1 39 ILE H 1 39 ILE MG . . 4.260 2.368 2.148 2.761 . 0 0 "[ . 1 . 2]" 1
393 1 39 ILE H 1 65 VAL HA . . 4.290 3.439 3.133 4.177 . 0 0 "[ . 1 . 2]" 1
394 1 39 ILE HA 1 39 ILE HB . . 2.620 2.417 2.345 2.634 0.014 12 0 "[ . 1 . 2]" 1
395 1 39 ILE HB 1 40 ARG H . . 3.170 2.634 2.236 3.269 0.099 10 0 "[ . 1 . 2]" 1
396 1 39 ILE MD 1 42 CYS QB . . 7.410 4.617 3.831 5.410 . 0 0 "[ . 1 . 2]" 1
397 1 39 ILE MD 1 64 TYR HB2 . . 4.510 2.441 2.228 2.663 . 0 0 "[ . 1 . 2]" 1
398 1 39 ILE MD 1 64 TYR QB . . 4.360 2.359 2.195 2.537 . 0 0 "[ . 1 . 2]" 1
399 1 39 ILE MD 1 64 TYR HB3 . . 4.510 3.222 2.668 3.665 . 0 0 "[ . 1 . 2]" 1
400 1 39 ILE MD 1 71 LEU QD . . 8.750 3.546 2.678 4.467 . 0 0 "[ . 1 . 2]" 1
401 1 39 ILE QG 1 40 ARG H . . 5.260 3.383 1.853 4.102 . 0 0 "[ . 1 . 2]" 1
402 1 39 ILE QG 1 64 TYR QB . . 5.080 1.945 1.842 2.084 . 0 0 "[ . 1 . 2]" 1
403 1 39 ILE MG 1 64 TYR QB . . 6.260 3.261 2.665 3.726 . 0 0 "[ . 1 . 2]" 1
404 1 40 ARG H 1 40 ARG HA . . 2.770 2.687 2.110 2.895 0.125 8 0 "[ . 1 . 2]" 1
405 1 40 ARG HA 1 40 ARG QG . . 3.720 2.474 2.079 3.394 . 0 0 "[ . 1 . 2]" 1
406 1 41 PRO HA 1 42 CYS H . . 3.420 2.426 2.205 2.774 . 0 0 "[ . 1 . 2]" 1
407 1 41 PRO QB 1 42 CYS H . . 3.840 2.541 2.113 3.063 . 0 0 "[ . 1 . 2]" 1
408 1 42 CYS H 1 42 CYS QB . . 3.650 2.513 2.240 2.740 . 0 0 "[ . 1 . 2]" 1
409 1 42 CYS HA 1 42 CYS HB2 . . 2.990 3.031 3.013 3.048 0.058 4 0 "[ . 1 . 2]" 1
410 1 42 CYS HA 1 42 CYS HB3 . . 2.990 2.592 2.493 2.651 . 0 0 "[ . 1 . 2]" 1
411 1 42 CYS HA 1 43 MET H . . 2.740 2.761 2.639 2.822 0.082 19 0 "[ . 1 . 2]" 1
412 1 42 CYS HA 1 63 LEU HA . . 4.660 3.887 3.486 4.301 . 0 0 "[ . 1 . 2]" 1
413 1 42 CYS QB 1 43 MET H . . 4.800 2.213 2.095 2.507 . 0 0 "[ . 1 . 2]" 1
414 1 42 CYS QB 1 63 LEU QB . . 6.230 2.624 2.109 4.037 . 0 0 "[ . 1 . 2]" 1
415 1 42 CYS HG 1 64 TYR QB . . 5.110 4.421 4.035 5.136 0.026 17 0 "[ . 1 . 2]" 1
416 1 43 MET H 1 62 GLN H . . 4.290 3.748 3.502 4.084 . 0 0 "[ . 1 . 2]" 1
417 1 43 MET HA 1 43 MET HG2 . . 3.520 3.125 2.654 3.616 0.096 8 0 "[ . 1 . 2]" 1
418 1 43 MET HA 1 43 MET QG . . 3.330 2.276 2.145 2.476 . 0 0 "[ . 1 . 2]" 1
419 1 43 MET HA 1 43 MET HG3 . . 3.520 2.350 2.188 2.529 . 0 0 "[ . 1 . 2]" 1
420 1 43 MET HA 1 44 LYS H . . 2.650 2.295 2.148 2.458 . 0 0 "[ . 1 . 2]" 1
421 1 43 MET QG 1 44 LYS H . . 3.330 2.356 2.125 2.727 . 0 0 "[ . 1 . 2]" 1
422 1 43 MET HG2 1 44 LYS H . . 3.700 2.817 2.153 3.734 0.034 6 0 "[ . 1 . 2]" 1
423 1 43 MET HG3 1 44 LYS H . . 3.700 2.804 2.165 3.458 . 0 0 "[ . 1 . 2]" 1
424 1 44 LYS H 1 44 LYS QB . . 3.410 2.773 2.291 3.144 . 0 0 "[ . 1 . 2]" 1
425 1 44 LYS H 1 44 LYS QG . . 5.140 2.967 2.442 4.139 . 0 0 "[ . 1 . 2]" 1
426 1 44 LYS HA 1 45 LYS H . . 2.680 2.422 2.253 2.560 . 0 0 "[ . 1 . 2]" 1
427 1 44 LYS HA 1 61 TYR HA . . 2.800 2.339 2.144 2.629 . 0 0 "[ . 1 . 2]" 1
428 1 44 LYS QD 1 45 LYS QB . . 7.250 5.314 4.403 5.836 . 0 0 "[ . 1 . 2]" 1
429 1 44 LYS QD 1 59 TYR HD1 . . 6.010 3.145 2.493 4.359 . 0 0 "[ . 1 . 2]" 1
430 1 44 LYS QD 1 61 TYR QD . . 6.380 2.953 2.257 4.039 . 0 0 "[ . 1 . 2]" 1
431 1 44 LYS QD 1 61 TYR QE . . 5.950 2.245 1.978 3.289 . 0 0 "[ . 1 . 2]" 1
432 1 44 LYS QG 1 45 LYS H . . 4.670 3.111 2.201 3.776 . 0 0 "[ . 1 . 2]" 1
433 1 44 LYS HG2 1 45 LYS H . . 5.500 4.093 2.427 4.775 . 0 0 "[ . 1 . 2]" 1
434 1 44 LYS HG3 1 45 LYS H . . 5.500 3.312 2.322 4.314 . 0 0 "[ . 1 . 2]" 1
435 1 45 LYS H 1 45 LYS QB . . 3.740 3.003 2.410 3.307 . 0 0 "[ . 1 . 2]" 1
436 1 45 LYS H 1 45 LYS QG . . 4.610 3.430 2.425 4.245 . 0 0 "[ . 1 . 2]" 1
437 1 45 LYS H 1 59 TYR HD1 . . 4.660 4.176 3.318 4.716 0.056 10 0 "[ . 1 . 2]" 1
438 1 45 LYS H 1 60 GLU H . . 3.950 3.064 2.767 3.503 . 0 0 "[ . 1 . 2]" 1
439 1 45 LYS H 1 61 TYR HA . . 4.630 3.433 2.750 3.693 . 0 0 "[ . 1 . 2]" 1
440 1 45 LYS QD 1 59 TYR HD1 . . 6.380 5.665 5.208 6.062 . 0 0 "[ . 1 . 2]" 1
441 1 45 LYS QD 1 60 GLU HB2 . . 5.080 2.855 2.062 4.418 . 0 0 "[ . 1 . 2]" 1
442 1 45 LYS QD 1 60 GLU HB3 . . 6.040 3.182 2.012 5.413 . 0 0 "[ . 1 . 2]" 1
443 1 45 LYS QG 1 46 THR HA . . 4.920 3.789 3.315 4.161 . 0 0 "[ . 1 . 2]" 1
444 1 45 LYS QG 1 47 ILE H . . 4.740 4.049 3.856 4.361 . 0 0 "[ . 1 . 2]" 1
445 1 45 LYS QG 1 60 GLU H . . 6.380 4.032 2.822 5.078 . 0 0 "[ . 1 . 2]" 1
446 1 46 THR H 1 46 THR HB . . 2.930 2.952 2.675 3.051 0.121 12 0 "[ . 1 . 2]" 1
447 1 46 THR H 1 46 THR MG . . 4.110 2.211 1.931 2.764 . 0 0 "[ . 1 . 2]" 1
448 1 46 THR HA 1 47 ILE H . . 2.620 2.201 2.101 2.395 . 0 0 "[ . 1 . 2]" 1
449 1 46 THR HA 1 59 TYR HA . . 2.830 2.229 2.017 2.657 . 0 0 "[ . 1 . 2]" 1
450 1 46 THR HA 1 59 TYR HD1 . . 3.420 3.082 2.409 3.476 0.056 7 0 "[ . 1 . 2]" 1
451 1 46 THR HA 1 59 TYR HE1 . . 5.340 4.332 3.482 4.860 . 0 0 "[ . 1 . 2]" 1
452 1 46 THR HB 1 48 TYR HE1 . . 5.340 5.094 4.559 5.398 0.058 10 0 "[ . 1 . 2]" 1
453 1 46 THR MG 1 47 ILE H . . 5.440 4.030 3.112 4.481 . 0 0 "[ . 1 . 2]" 1
454 1 46 THR MG 1 48 TYR HD1 . . 5.010 3.389 2.247 4.168 . 0 0 "[ . 1 . 2]" 1
455 1 46 THR MG 1 48 TYR HE1 . . 4.700 2.386 2.075 2.784 . 0 0 "[ . 1 . 2]" 1
456 1 46 THR MG 1 56 ILE MG . . 7.560 3.892 2.228 5.123 . 0 0 "[ . 1 . 2]" 1
457 1 46 THR MG 1 59 TYR HD1 . . 6.530 4.610 4.052 5.307 . 0 0 "[ . 1 . 2]" 1
458 1 46 THR MG 1 59 TYR HE1 . . 5.350 3.962 3.208 4.512 . 0 0 "[ . 1 . 2]" 1
459 1 47 ILE H 1 47 ILE HB . . 2.830 2.880 2.507 3.179 0.349 3 0 "[ . 1 . 2]" 1
460 1 47 ILE H 1 47 ILE MD . . 5.470 4.542 4.391 4.781 . 0 0 "[ . 1 . 2]" 1
461 1 47 ILE H 1 47 ILE QG . . 4.890 4.006 3.936 4.117 . 0 0 "[ . 1 . 2]" 1
462 1 47 ILE H 1 59 TYR HA . . 3.210 3.233 2.967 3.467 0.257 3 0 "[ . 1 . 2]" 1
463 1 47 ILE HA 1 47 ILE MD . . 4.510 3.702 3.574 3.805 . 0 0 "[ . 1 . 2]" 1
464 1 47 ILE HA 1 47 ILE HG12 . . 3.360 3.264 3.132 3.367 0.007 19 0 "[ . 1 . 2]" 1
465 1 47 ILE HA 1 47 ILE QG . . 3.060 2.362 2.221 2.484 . 0 0 "[ . 1 . 2]" 1
466 1 47 ILE HA 1 47 ILE HG13 . . 3.360 2.425 2.272 2.563 . 0 0 "[ . 1 . 2]" 1
467 1 47 ILE HA 1 47 ILE MG . . 3.680 3.197 3.138 3.230 . 0 0 "[ . 1 . 2]" 1
468 1 47 ILE HA 1 48 TYR H . . 2.490 2.166 1.977 2.331 . 0 0 "[ . 1 . 2]" 1
469 1 47 ILE HA 1 48 TYR HA . . 5.500 4.413 4.291 4.485 . 0 0 "[ . 1 . 2]" 1
470 1 47 ILE QG 1 48 TYR HB3 . . 5.300 4.974 4.846 5.083 . 0 0 "[ . 1 . 2]" 1
471 1 47 ILE MG 1 48 TYR H . . 4.510 3.891 3.575 4.064 . 0 0 "[ . 1 . 2]" 1
472 1 47 ILE MG 1 56 ILE HA . . 6.530 4.672 3.875 5.324 . 0 0 "[ . 1 . 2]" 1
473 1 48 TYR H 1 48 TYR HB2 . . 2.770 2.470 2.245 2.832 0.062 5 0 "[ . 1 . 2]" 1
474 1 48 TYR H 1 48 TYR HD1 . . 4.040 3.714 3.338 4.107 0.067 18 0 "[ . 1 . 2]" 1
475 1 48 TYR HA 1 48 TYR HB3 . . 2.900 2.491 2.262 2.946 0.046 11 0 "[ . 1 . 2]" 1
476 1 48 TYR HA 1 48 TYR HD1 . . 3.390 2.364 2.041 3.384 . 0 0 "[ . 1 . 2]" 1
477 1 48 TYR HA 1 49 GLU H . . 2.800 2.433 2.129 2.772 . 0 0 "[ . 1 . 2]" 1
478 1 48 TYR HA 1 56 ILE HA . . 3.420 2.879 2.088 3.488 0.068 4 0 "[ . 1 . 2]" 1
479 1 48 TYR HA 1 56 ILE QG . . 4.830 3.802 2.618 4.630 . 0 0 "[ . 1 . 2]" 1
480 1 48 TYR HA 1 57 LYS H . . 3.890 3.388 2.255 4.010 0.120 1 0 "[ . 1 . 2]" 1
481 1 48 TYR HB2 1 48 TYR HD1 . . 3.520 3.554 2.235 3.707 0.187 9 0 "[ . 1 . 2]" 1
482 1 48 TYR HB3 1 48 TYR HD1 . . 3.300 3.105 2.652 3.638 0.338 14 0 "[ . 1 . 2]" 1
483 1 48 TYR HB3 1 49 GLU H . . 3.110 2.389 1.995 3.000 . 0 0 "[ . 1 . 2]" 1
484 1 48 TYR HB3 1 49 GLU QB . . 4.860 4.314 3.643 4.679 . 0 0 "[ . 1 . 2]" 1
485 1 48 TYR HD1 1 56 ILE HA . . 4.690 3.998 2.605 4.847 0.157 11 0 "[ . 1 . 2]" 1
486 1 49 GLU H 1 49 GLU HB2 . . 3.640 2.952 2.237 3.818 0.178 7 0 "[ . 1 . 2]" 1
487 1 49 GLU H 1 49 GLU QB . . 3.320 2.511 2.155 2.856 . 0 0 "[ . 1 . 2]" 1
488 1 49 GLU H 1 49 GLU HB3 . . 3.640 3.035 2.469 3.678 0.038 5 0 "[ . 1 . 2]" 1
489 1 49 GLU H 1 49 GLU QG . . 4.330 3.290 2.135 3.969 . 0 0 "[ . 1 . 2]" 1
490 1 49 GLU H 1 50 ASN H . . 3.110 3.194 2.748 3.368 0.258 18 0 "[ . 1 . 2]" 1
491 1 49 GLU HA 1 50 ASN H . . 2.620 2.554 2.194 2.872 0.252 19 0 "[ . 1 . 2]" 1
492 1 49 GLU QB 1 54 ARG HA . . 4.640 3.781 2.089 4.479 . 0 0 "[ . 1 . 2]" 1
493 1 49 GLU QB 1 56 ILE HA . . 6.160 4.183 2.322 5.957 . 0 0 "[ . 1 . 2]" 1
494 1 50 ASN H 1 50 ASN HB2 . . 3.670 2.853 2.065 3.642 . 0 0 "[ . 1 . 2]" 1
495 1 50 ASN H 1 50 ASN QB . . 3.390 2.548 2.043 3.036 . 0 0 "[ . 1 . 2]" 1
496 1 50 ASN H 1 50 ASN HB3 . . 3.670 3.185 2.413 3.705 0.035 4 0 "[ . 1 . 2]" 1
497 1 50 ASN H 1 51 GLU H . . 4.820 4.011 2.901 4.694 . 0 0 "[ . 1 . 2]" 1
498 1 50 ASN HA 1 51 GLU H . . 2.830 2.392 2.166 2.811 . 0 0 "[ . 1 . 2]" 1
499 1 50 ASN HA 1 51 GLU QB . . 4.920 4.291 3.990 4.514 . 0 0 "[ . 1 . 2]" 1
500 1 51 GLU H 1 51 GLU HA . . 2.650 2.572 2.215 2.896 0.246 10 0 "[ . 1 . 2]" 1
501 1 51 GLU H 1 51 GLU QB . . 3.880 2.794 2.117 3.347 . 0 0 "[ . 1 . 2]" 1
502 1 51 GLU HA 1 52 GLY H . . 3.110 2.555 2.159 3.148 0.038 12 0 "[ . 1 . 2]" 1
503 1 51 GLU QG 1 52 GLY H . . 6.010 3.374 1.913 4.600 . 0 0 "[ . 1 . 2]" 1
504 1 52 GLY H 1 52 GLY HA2 . . 2.800 2.523 2.263 2.917 0.117 1 0 "[ . 1 . 2]" 1
505 1 52 GLY H 1 52 GLY QA . . 2.460 2.252 2.155 2.523 0.063 15 0 "[ . 1 . 2]" 1
506 1 52 GLY H 1 52 GLY HA3 . . 2.800 2.704 2.291 2.952 0.152 13 0 "[ . 1 . 2]" 1
507 1 52 GLY H 1 53 PHE H . . 3.210 3.015 1.998 3.443 0.233 20 0 "[ . 1 . 2]" 1
508 1 52 GLY QA 1 53 PHE H . . 3.220 2.579 2.239 2.948 . 0 0 "[ . 1 . 2]" 1
509 1 52 GLY HA2 1 53 PHE H . . 3.520 3.213 2.266 3.585 0.065 2 0 "[ . 1 . 2]" 1
510 1 52 GLY HA3 1 53 PHE H . . 3.520 2.993 2.276 3.601 0.081 16 0 "[ . 1 . 2]" 1
511 1 53 PHE H 1 53 PHE QB . . 3.670 2.883 2.199 3.463 . 0 0 "[ . 1 . 2]" 1
512 1 53 PHE H 1 54 ARG H . . 4.260 3.676 2.005 4.453 0.193 14 0 "[ . 1 . 2]" 1
513 1 53 PHE HA 1 54 ARG H . . 3.240 2.656 2.096 3.500 0.260 20 0 "[ . 1 . 2]" 1
514 1 53 PHE HA 1 54 ARG QB . . 6.010 4.302 3.698 5.056 . 0 0 "[ . 1 . 2]" 1
515 1 53 PHE QB 1 54 ARG H . . 4.180 3.119 1.986 3.886 . 0 0 "[ . 1 . 2]" 1
516 1 54 ARG H 1 54 ARG HB2 . . 3.950 3.191 2.307 4.050 0.100 6 0 "[ . 1 . 2]" 1
517 1 54 ARG H 1 54 ARG QB . . 3.740 2.685 2.185 3.393 . 0 0 "[ . 1 . 2]" 1
518 1 54 ARG H 1 54 ARG HB3 . . 3.950 3.004 2.397 3.975 0.025 9 0 "[ . 1 . 2]" 1
519 1 54 ARG H 1 54 ARG QG . . 4.950 3.709 1.907 4.462 . 0 0 "[ . 1 . 2]" 1
520 1 54 ARG HA 1 55 GLU H . . 2.620 2.510 2.128 2.689 0.069 16 0 "[ . 1 . 2]" 1
521 1 54 ARG QG 1 55 GLU HA . . 5.170 4.473 4.178 4.775 . 0 0 "[ . 1 . 2]" 1
522 1 55 GLU H 1 55 GLU HB2 . . 2.830 2.594 2.166 3.313 0.483 19 0 "[ . 1 . 2]" 1
523 1 55 GLU H 1 55 GLU HB3 . . 2.830 2.713 2.436 2.919 0.089 6 0 "[ . 1 . 2]" 1
524 1 55 GLU H 1 55 GLU QG . . 5.020 3.977 1.908 4.290 . 0 0 "[ . 1 . 2]" 1
525 1 55 GLU HA 1 56 ILE H . . 2.650 2.385 2.150 2.690 0.040 9 0 "[ . 1 . 2]" 1
526 1 56 ILE H 1 56 ILE HB . . 3.480 2.723 2.234 3.581 0.101 1 0 "[ . 1 . 2]" 1
527 1 56 ILE H 1 56 ILE MD . . 4.670 2.669 1.924 3.582 . 0 0 "[ . 1 . 2]" 1
528 1 56 ILE HA 1 57 LYS H . . 2.740 2.208 2.131 2.293 . 0 0 "[ . 1 . 2]" 1
529 1 56 ILE HA 1 57 LYS QB . . 4.950 4.052 3.829 4.157 . 0 0 "[ . 1 . 2]" 1
530 1 56 ILE HB 1 80 TYR QD . . 4.790 3.401 2.638 4.032 . 0 0 "[ . 1 . 2]" 1
531 1 56 ILE HB 1 80 TYR QE . . 3.920 3.425 2.896 3.966 0.046 16 0 "[ . 1 . 2]" 1
532 1 56 ILE MG 1 57 LYS H . . 6.530 2.898 2.411 3.966 . 0 0 "[ . 1 . 2]" 1
533 1 56 ILE MG 1 58 GLY H . . 4.980 2.717 2.105 4.248 . 0 0 "[ . 1 . 2]" 1
534 1 56 ILE MG 1 80 TYR QB . . 5.920 2.690 2.144 4.392 . 0 0 "[ . 1 . 2]" 1
535 1 56 ILE MG 1 80 TYR QE . . 6.160 3.225 2.601 3.998 . 0 0 "[ . 1 . 2]" 1
536 1 57 LYS H 1 57 LYS HA . . 2.860 2.923 2.885 2.950 0.090 12 0 "[ . 1 . 2]" 1
537 1 57 LYS H 1 57 LYS QB . . 3.410 2.220 2.059 2.350 . 0 0 "[ . 1 . 2]" 1
538 1 57 LYS H 1 58 GLY H . . 2.860 2.464 2.298 2.762 . 0 0 "[ . 1 . 2]" 1
539 1 57 LYS HA 1 57 LYS QD . . 3.990 2.767 2.281 3.842 . 0 0 "[ . 1 . 2]" 1
540 1 57 LYS HA 1 57 LYS QG . . 3.420 2.420 2.150 2.928 . 0 0 "[ . 1 . 2]" 1
541 1 57 LYS QB 1 58 GLY H . . 4.430 2.729 2.246 3.701 . 0 0 "[ . 1 . 2]" 1
542 1 58 GLY QA 1 80 TYR H . . 3.470 2.312 2.072 2.662 . 0 0 "[ . 1 . 2]" 1
543 1 58 GLY QA 1 80 TYR QB . . 6.570 2.174 2.079 2.340 . 0 0 "[ . 1 . 2]" 1
544 1 58 GLY HA2 1 59 TYR H . . 2.860 2.707 2.315 2.984 0.124 18 0 "[ . 1 . 2]" 1
545 1 58 GLY HA2 1 80 TYR H . . 4.040 2.762 2.094 3.406 . 0 0 "[ . 1 . 2]" 1
546 1 58 GLY HA3 1 59 TYR H . . 2.860 2.370 2.172 2.803 . 0 0 "[ . 1 . 2]" 1
547 1 58 GLY HA3 1 80 TYR H . . 4.040 2.716 2.291 3.567 . 0 0 "[ . 1 . 2]" 1
548 1 59 TYR H 1 59 TYR QB . . 3.500 2.326 2.105 2.543 . 0 0 "[ . 1 . 2]" 1
549 1 59 TYR H 1 59 TYR HD1 . . 4.630 4.720 4.541 4.841 0.211 9 0 "[ . 1 . 2]" 1
550 1 59 TYR H 1 78 GLU H . . 3.110 3.151 2.803 3.263 0.153 9 0 "[ . 1 . 2]" 1
551 1 59 TYR H 1 78 GLU QB . . 4.490 2.313 1.978 3.391 . 0 0 "[ . 1 . 2]" 1
552 1 59 TYR H 1 80 TYR H . . 4.110 4.135 3.273 4.298 0.188 8 0 "[ . 1 . 2]" 1
553 1 59 TYR HA 1 59 TYR HD1 . . 3.360 2.379 2.205 2.626 . 0 0 "[ . 1 . 2]" 1
554 1 59 TYR HA 1 60 GLU H . . 2.590 2.330 2.184 2.557 . 0 0 "[ . 1 . 2]" 1
555 1 59 TYR QB 1 59 TYR HD1 . . 3.350 2.568 2.420 2.810 . 0 0 "[ . 1 . 2]" 1
556 1 59 TYR QB 1 61 TYR QE . . 4.040 3.377 2.713 3.724 . 0 0 "[ . 1 . 2]" 1
557 1 59 TYR HB2 1 61 TYR QE . . 4.510 4.046 3.491 4.505 . 0 0 "[ . 1 . 2]" 1
558 1 59 TYR HB3 1 61 TYR QE . . 4.510 3.643 2.828 4.124 . 0 0 "[ . 1 . 2]" 1
559 1 59 TYR HD1 1 60 GLU H . . 5.500 3.076 2.247 3.573 . 0 0 "[ . 1 . 2]" 1
560 1 59 TYR HD1 1 78 GLU QB . . 6.380 5.551 5.444 5.731 . 0 0 "[ . 1 . 2]" 1
561 1 60 GLU H 1 60 GLU HB2 . . 3.240 2.696 2.291 3.132 . 0 0 "[ . 1 . 2]" 1
562 1 60 GLU H 1 60 GLU HB3 . . 3.330 3.397 3.008 3.576 0.246 18 0 "[ . 1 . 2]" 1
563 1 60 GLU HA 1 60 GLU HB2 . . 2.960 2.922 2.664 3.016 0.056 18 0 "[ . 1 . 2]" 1
564 1 60 GLU HA 1 61 TYR H . . 2.650 2.219 2.109 2.415 . 0 0 "[ . 1 . 2]" 1
565 1 60 GLU HA 1 61 TYR QD . . 5.500 3.912 3.385 4.273 . 0 0 "[ . 1 . 2]" 1
566 1 60 GLU HA 1 77 SER H . . 4.510 4.621 4.552 4.680 0.170 13 0 "[ . 1 . 2]" 1
567 1 60 GLU HA 1 77 SER HA . . 2.740 2.203 2.077 2.313 . 0 0 "[ . 1 . 2]" 1
568 1 60 GLU HA 1 78 GLU H . . 3.790 3.522 3.255 3.755 . 0 0 "[ . 1 . 2]" 1
569 1 60 GLU HB3 1 61 TYR H . . 3.080 3.185 3.071 3.302 0.222 3 0 "[ . 1 . 2]" 1
570 1 60 GLU QG 1 61 TYR H . . 4.770 3.076 2.120 3.707 . 0 0 "[ . 1 . 2]" 1
571 1 61 TYR H 1 61 TYR HB2 . . 3.760 2.647 2.549 2.855 . 0 0 "[ . 1 . 2]" 1
572 1 61 TYR H 1 61 TYR QB . . 3.280 2.597 2.507 2.785 . 0 0 "[ . 1 . 2]" 1
573 1 61 TYR H 1 61 TYR HB3 . . 3.760 3.771 3.716 3.871 0.111 2 0 "[ . 1 . 2]" 1
574 1 61 TYR H 1 61 TYR QD . . 3.210 3.062 2.646 3.207 . 0 0 "[ . 1 . 2]" 1
575 1 61 TYR H 1 76 ILE HB . . 4.660 3.705 2.924 4.581 . 0 0 "[ . 1 . 2]" 1
576 1 61 TYR HA 1 61 TYR QD . . 4.380 2.805 2.592 3.063 . 0 0 "[ . 1 . 2]" 1
577 1 61 TYR HA 1 62 GLN H . . 2.550 2.247 2.121 2.323 . 0 0 "[ . 1 . 2]" 1
578 1 61 TYR QB 1 62 GLN H . . 4.300 3.392 3.022 3.712 . 0 0 "[ . 1 . 2]" 1
579 1 61 TYR QB 1 63 LEU QD . . 6.810 2.638 2.021 3.518 . 0 0 "[ . 1 . 2]" 1
580 1 61 TYR QD 1 76 ILE HB . . 3.760 2.861 1.993 3.987 0.227 13 0 "[ . 1 . 2]" 1
581 1 61 TYR QD 1 76 ILE MG . . 4.610 2.428 1.891 2.925 . 0 0 "[ . 1 . 2]" 1
582 1 61 TYR QD 1 77 SER HA . . 4.720 4.657 4.126 4.908 0.188 10 0 "[ . 1 . 2]" 1
583 1 61 TYR QE 1 76 ILE MG . . 4.880 3.476 2.552 4.045 . 0 0 "[ . 1 . 2]" 1
584 1 61 TYR QE 1 78 GLU QB . . 5.300 3.916 2.326 4.685 . 0 0 "[ . 1 . 2]" 1
585 1 61 TYR QE 1 78 GLU QG . . 5.510 2.363 2.125 3.189 . 0 0 "[ . 1 . 2]" 1
586 1 61 TYR QE 1 85 ARG QG . . 6.380 5.406 3.852 5.860 . 0 0 "[ . 1 . 2]" 1
587 1 62 GLN H 1 62 GLN HB2 . . 2.990 2.849 2.632 3.036 0.046 18 0 "[ . 1 . 2]" 1
588 1 62 GLN H 1 62 GLN HB3 . . 2.990 2.521 2.382 2.634 . 0 0 "[ . 1 . 2]" 1
589 1 62 GLN H 1 62 GLN QE . . 5.940 4.771 3.933 5.292 . 0 0 "[ . 1 . 2]" 1
590 1 62 GLN HA 1 62 GLN QG . . 3.780 2.411 2.205 3.017 . 0 0 "[ . 1 . 2]" 1
591 1 62 GLN HA 1 63 LEU H . . 2.400 2.178 2.137 2.252 . 0 0 "[ . 1 . 2]" 1
592 1 62 GLN HA 1 63 LEU HG . . 3.830 3.853 3.649 3.982 0.152 13 0 "[ . 1 . 2]" 1
593 1 62 GLN HA 1 75 ASP HA . . 2.830 2.457 2.213 2.700 . 0 0 "[ . 1 . 2]" 1
594 1 62 GLN QB 1 73 ARG HE . . 6.380 4.612 3.859 5.474 . 0 0 "[ . 1 . 2]" 1
595 1 62 GLN QB 1 75 ASP QB . . 6.510 4.146 3.294 4.807 . 0 0 "[ . 1 . 2]" 1
596 1 62 GLN QG 1 63 LEU H . . 4.170 3.151 2.859 3.412 . 0 0 "[ . 1 . 2]" 1
597 1 62 GLN HG2 1 63 LEU H . . 5.000 3.434 2.950 4.889 . 0 0 "[ . 1 . 2]" 1
598 1 62 GLN HG3 1 63 LEU H . . 5.000 4.178 3.055 5.003 0.003 10 0 "[ . 1 . 2]" 1
599 1 63 LEU H 1 63 LEU QB . . 3.480 3.086 2.456 3.248 . 0 0 "[ . 1 . 2]" 1
600 1 63 LEU H 1 63 LEU MD1 . . 5.570 3.283 2.215 3.708 . 0 0 "[ . 1 . 2]" 1
601 1 63 LEU H 1 63 LEU QD . . 4.790 3.028 2.208 3.212 . 0 0 "[ . 1 . 2]" 1
602 1 63 LEU H 1 63 LEU MD2 . . 5.570 3.751 3.092 4.227 . 0 0 "[ . 1 . 2]" 1
603 1 63 LEU H 1 63 LEU HG . . 2.990 2.335 1.988 2.956 . 0 0 "[ . 1 . 2]" 1
604 1 63 LEU H 1 75 ASP HA . . 4.350 3.080 2.578 3.447 . 0 0 "[ . 1 . 2]" 1
605 1 63 LEU HA 1 64 TYR H . . 2.590 2.279 2.080 2.518 . 0 0 "[ . 1 . 2]" 1
606 1 63 LEU QB 1 64 TYR H . . 4.020 2.625 2.211 3.103 . 0 0 "[ . 1 . 2]" 1
607 1 63 LEU HG 1 75 ASP HA . . 4.790 3.905 3.144 4.795 0.005 3 0 "[ . 1 . 2]" 1
608 1 64 TYR H 1 64 TYR HB2 . . 3.360 2.237 2.071 2.418 . 0 0 "[ . 1 . 2]" 1
609 1 64 TYR H 1 64 TYR QB . . 3.120 2.209 2.047 2.372 . 0 0 "[ . 1 . 2]" 1
610 1 64 TYR H 1 64 TYR HB3 . . 3.360 3.425 3.182 3.517 0.157 7 0 "[ . 1 . 2]" 1
611 1 64 TYR H 1 64 TYR QD . . 5.500 3.550 2.554 4.050 . 0 0 "[ . 1 . 2]" 1
612 1 64 TYR HA 1 64 TYR QD . . 3.550 2.502 2.182 3.069 . 0 0 "[ . 1 . 2]" 1
613 1 64 TYR HA 1 65 VAL H . . 2.400 2.204 2.130 2.273 . 0 0 "[ . 1 . 2]" 1
614 1 64 TYR HA 1 65 VAL HA . . 5.220 4.473 4.416 4.523 . 0 0 "[ . 1 . 2]" 1
615 1 64 TYR HA 1 71 LEU QD . . 6.980 3.809 3.188 5.061 . 0 0 "[ . 1 . 2]" 1
616 1 64 TYR HA 1 73 ARG QG . . 4.610 4.123 3.870 4.245 . 0 0 "[ . 1 . 2]" 1
617 1 64 TYR HA 1 74 ALA H . . 3.330 3.114 2.871 3.356 0.026 14 0 "[ . 1 . 2]" 1
618 1 64 TYR QB 1 71 LEU QD . . 6.430 2.376 1.978 3.556 . 0 0 "[ . 1 . 2]" 1
619 1 64 TYR QB 1 71 LEU HG . . 6.380 3.714 2.096 4.663 . 0 0 "[ . 1 . 2]" 1
620 1 64 TYR HB2 1 71 LEU MD1 . . 8.740 4.837 2.942 6.541 . 0 0 "[ . 1 . 2]" 1
621 1 64 TYR HB2 1 71 LEU MD2 . . 8.740 4.561 3.296 6.621 . 0 0 "[ . 1 . 2]" 1
622 1 64 TYR HB3 1 71 LEU MD1 . . 8.740 3.568 1.993 5.209 . 0 0 "[ . 1 . 2]" 1
623 1 64 TYR HB3 1 71 LEU MD2 . . 8.740 3.303 2.018 5.233 . 0 0 "[ . 1 . 2]" 1
624 1 64 TYR QD 1 71 LEU HA . . 5.130 4.248 3.646 4.999 . 0 0 "[ . 1 . 2]" 1
625 1 64 TYR QD 1 71 LEU QD . . 5.680 2.604 1.998 4.165 . 0 0 "[ . 1 . 2]" 1
626 1 64 TYR QD 1 71 LEU HG . . 4.380 4.069 2.270 4.535 0.155 19 0 "[ . 1 . 2]" 1
627 1 64 TYR QD 1 94 VAL QG . . 6.260 3.409 2.267 3.951 . 0 0 "[ . 1 . 2]" 1
628 1 64 TYR QE 1 73 ARG H . . 5.500 4.251 3.377 5.315 . 0 0 "[ . 1 . 2]" 1
629 1 64 TYR QE 1 73 ARG QG . . 4.920 2.798 2.276 3.308 . 0 0 "[ . 1 . 2]" 1
630 1 64 TYR QE 1 94 VAL QG . . 6.010 2.150 1.858 2.429 . 0 0 "[ . 1 . 2]" 1
631 1 65 VAL H 1 65 VAL HB . . 2.650 2.530 2.282 2.756 0.106 7 0 "[ . 1 . 2]" 1
632 1 65 VAL H 1 65 VAL QG . . 4.160 2.335 1.903 2.612 . 0 0 "[ . 1 . 2]" 1
633 1 65 VAL H 1 71 LEU QD . . 7.510 4.344 3.627 5.332 . 0 0 "[ . 1 . 2]" 1
634 1 65 VAL HA 1 66 TYR H . . 2.960 2.233 2.165 2.300 . 0 0 "[ . 1 . 2]" 1
635 1 65 VAL QG 1 66 TYR H . . 5.980 2.627 2.384 2.867 . 0 0 "[ . 1 . 2]" 1
636 1 65 VAL QG 1 66 TYR HA . . 8.090 3.987 3.759 4.213 . 0 0 "[ . 1 . 2]" 1
637 1 65 VAL QG 1 66 TYR QB . . 7.050 3.963 3.779 4.138 . 0 0 "[ . 1 . 2]" 1
638 1 65 VAL QG 1 90 PHE QE . . 7.810 3.906 2.596 4.806 . 0 0 "[ . 1 . 2]" 1
639 1 65 VAL QG 1 90 PHE HZ . . 7.720 4.378 2.222 5.654 . 0 0 "[ . 1 . 2]" 1
640 1 66 TYR H 1 66 TYR HB2 . . 3.330 2.537 2.177 2.706 . 0 0 "[ . 1 . 2]" 1
641 1 66 TYR H 1 66 TYR QB . . 2.910 2.278 2.153 2.401 . 0 0 "[ . 1 . 2]" 1
642 1 66 TYR H 1 66 TYR HB3 . . 3.330 2.661 2.406 3.453 0.123 19 0 "[ . 1 . 2]" 1
643 1 66 TYR H 1 66 TYR HD1 . . 4.690 4.589 4.404 4.756 0.066 20 0 "[ . 1 . 2]" 1
644 1 66 TYR H 1 67 ALA H . . 4.450 4.099 3.564 4.505 0.055 14 0 "[ . 1 . 2]" 1
645 1 66 TYR HA 1 66 TYR HD1 . . 3.360 2.206 2.073 2.398 . 0 0 "[ . 1 . 2]" 1
646 1 66 TYR HA 1 67 ALA H . . 2.650 2.333 2.187 2.585 . 0 0 "[ . 1 . 2]" 1
647 1 66 TYR HA 1 71 LEU HA . . 3.140 2.704 2.287 2.923 . 0 0 "[ . 1 . 2]" 1
648 1 66 TYR HA 1 71 LEU QD . . 7.350 3.266 2.159 4.422 . 0 0 "[ . 1 . 2]" 1
649 1 66 TYR HA 1 72 PHE H . . 4.010 3.381 3.039 3.682 . 0 0 "[ . 1 . 2]" 1
650 1 66 TYR HB2 1 66 TYR HD1 . . 3.580 2.901 2.616 3.725 0.145 17 0 "[ . 1 . 2]" 1
651 1 66 TYR HB3 1 66 TYR HD1 . . 3.580 3.632 2.698 3.744 0.164 6 0 "[ . 1 . 2]" 1
652 1 66 TYR HD1 1 69 ASP HA . . 4.720 4.546 3.429 4.847 0.127 15 0 "[ . 1 . 2]" 1
653 1 66 TYR HD1 1 70 LYS H . . 5.190 4.271 3.258 5.021 . 0 0 "[ . 1 . 2]" 1
654 1 66 TYR HD1 1 71 LEU H . . 5.500 4.309 3.307 5.035 . 0 0 "[ . 1 . 2]" 1
655 1 66 TYR HD1 1 71 LEU HA . . 3.330 2.924 2.326 3.489 0.159 3 0 "[ . 1 . 2]" 1
656 1 66 TYR HD1 1 71 LEU MD1 . . 4.980 2.848 1.874 3.922 . 0 0 "[ . 1 . 2]" 1
657 1 66 TYR HD1 1 71 LEU QD . . 4.600 2.607 1.871 3.609 . 0 0 "[ . 1 . 2]" 1
658 1 66 TYR HD1 1 71 LEU MD2 . . 4.980 3.441 2.066 4.450 . 0 0 "[ . 1 . 2]" 1
659 1 66 TYR HD1 1 71 LEU HG . . 4.230 3.424 2.236 4.426 0.196 1 0 "[ . 1 . 2]" 1
660 1 67 ALA H 1 70 LYS H . . 3.300 3.071 2.572 3.480 0.180 6 0 "[ . 1 . 2]" 1
661 1 67 ALA H 1 71 LEU HA . . 4.630 3.788 3.418 4.095 . 0 0 "[ . 1 . 2]" 1
662 1 67 ALA H 1 72 PHE QD . . 3.420 2.554 2.059 3.115 . 0 0 "[ . 1 . 2]" 1
663 1 67 ALA H 1 72 PHE QE . . 5.190 3.892 3.505 4.481 . 0 0 "[ . 1 . 2]" 1
664 1 67 ALA HA 1 68 SER H . . 2.620 2.302 2.211 2.379 . 0 0 "[ . 1 . 2]" 1
665 1 67 ALA MB 1 72 PHE QD . . 4.420 2.186 2.038 2.397 . 0 0 "[ . 1 . 2]" 1
666 1 67 ALA MB 1 72 PHE QE . . 4.390 2.673 2.390 3.104 . 0 0 "[ . 1 . 2]" 1
667 1 67 ALA MB 1 90 PHE HZ . . 5.380 3.572 2.879 4.430 . 0 0 "[ . 1 . 2]" 1
668 1 68 SER H 1 68 SER HA . . 2.490 2.242 2.199 2.287 . 0 0 "[ . 1 . 2]" 1
669 1 68 SER H 1 68 SER QB . . 3.920 3.039 2.791 3.342 . 0 0 "[ . 1 . 2]" 1
670 1 68 SER HA 1 72 PHE QE . . 4.760 4.913 4.805 5.003 0.243 18 0 "[ . 1 . 2]" 1
671 1 68 SER QB 1 70 LYS QB . . 5.420 3.492 2.490 4.052 . 0 0 "[ . 1 . 2]" 1
672 1 68 SER QB 1 72 PHE QD . . 6.380 4.539 3.889 5.643 . 0 0 "[ . 1 . 2]" 1
673 1 69 ASP H 1 69 ASP HA . . 2.550 2.377 2.216 2.728 0.178 14 0 "[ . 1 . 2]" 1
674 1 69 ASP H 1 69 ASP HB2 . . 3.580 3.229 3.046 3.607 0.027 12 0 "[ . 1 . 2]" 1
675 1 69 ASP H 1 69 ASP QB . . 3.270 2.966 2.896 3.084 . 0 0 "[ . 1 . 2]" 1
676 1 69 ASP H 1 69 ASP HB3 . . 3.580 3.542 3.279 3.679 0.099 7 0 "[ . 1 . 2]" 1
677 1 69 ASP H 1 70 LYS H . . 3.080 2.456 1.773 2.864 . 0 0 "[ . 1 . 2]" 1
678 1 69 ASP H 1 70 LYS QD . . 5.020 3.955 2.583 4.628 . 0 0 "[ . 1 . 2]" 1
679 1 69 ASP H 1 72 PHE QE . . 5.130 4.624 3.416 5.156 0.026 10 0 "[ . 1 . 2]" 1
680 1 69 ASP HA 1 69 ASP HB2 . . 3.020 2.522 2.460 2.673 . 0 0 "[ . 1 . 2]" 1
681 1 69 ASP HA 1 69 ASP HB3 . . 3.020 3.044 3.030 3.061 0.041 15 0 "[ . 1 . 2]" 1
682 1 69 ASP HA 1 70 LYS H . . 3.300 2.913 2.753 3.120 . 0 0 "[ . 1 . 2]" 1
683 1 69 ASP QB 1 70 LYS QD . . 5.860 3.248 2.646 3.683 . 0 0 "[ . 1 . 2]" 1
684 1 70 LYS H 1 70 LYS QB . . 3.520 2.646 2.470 2.828 . 0 0 "[ . 1 . 2]" 1
685 1 70 LYS H 1 70 LYS QD . . 4.710 3.154 2.899 3.515 . 0 0 "[ . 1 . 2]" 1
686 1 70 LYS H 1 70 LYS QG . . 4.920 3.768 2.303 4.104 . 0 0 "[ . 1 . 2]" 1
687 1 70 LYS HA 1 70 LYS QD . . 4.830 3.281 2.813 3.815 . 0 0 "[ . 1 . 2]" 1
688 1 70 LYS HA 1 71 LEU H . . 2.490 2.362 2.185 2.494 0.004 4 0 "[ . 1 . 2]" 1
689 1 70 LYS QB 1 72 PHE QE . . 4.020 2.796 2.320 3.262 . 0 0 "[ . 1 . 2]" 1
690 1 70 LYS QB 1 93 PRO HA . . 6.380 5.065 4.614 5.461 . 0 0 "[ . 1 . 2]" 1
691 1 70 LYS QD 1 71 LEU H . . 5.640 4.960 4.764 5.148 . 0 0 "[ . 1 . 2]" 1
692 1 70 LYS QD 1 72 PHE QE . . 4.670 3.740 3.253 4.295 . 0 0 "[ . 1 . 2]" 1
693 1 71 LEU H 1 71 LEU QB . . 3.480 2.221 2.080 2.382 . 0 0 "[ . 1 . 2]" 1
694 1 71 LEU H 1 71 LEU HG . . 4.380 4.136 3.486 4.452 0.072 20 0 "[ . 1 . 2]" 1
695 1 71 LEU HA 1 71 LEU MD1 . . 4.570 2.856 2.062 3.694 . 0 0 "[ . 1 . 2]" 1
696 1 71 LEU HA 1 71 LEU QD . . 4.020 2.350 1.981 2.991 . 0 0 "[ . 1 . 2]" 1
697 1 71 LEU HA 1 71 LEU MD2 . . 4.570 2.935 2.320 3.827 . 0 0 "[ . 1 . 2]" 1
698 1 71 LEU HA 1 72 PHE H . . 2.740 2.221 2.121 2.389 . 0 0 "[ . 1 . 2]" 1
699 1 71 LEU QB 1 94 VAL QG . . 8.500 2.319 1.989 3.019 . 0 0 "[ . 1 . 2]" 1
700 1 71 LEU QD 1 72 PHE H . . 5.590 3.524 2.881 4.222 . 0 0 "[ . 1 . 2]" 1
701 1 71 LEU HG 1 72 PHE H . . 5.500 4.753 3.970 5.636 0.136 11 0 "[ . 1 . 2]" 1
702 1 71 LEU HG 1 94 VAL QG . . 6.130 4.145 3.381 4.466 . 0 0 "[ . 1 . 2]" 1
703 1 72 PHE H 1 72 PHE HB2 . . 3.480 2.339 2.272 2.392 . 0 0 "[ . 1 . 2]" 1
704 1 72 PHE H 1 72 PHE QB . . 3.050 2.310 2.246 2.358 . 0 0 "[ . 1 . 2]" 1
705 1 72 PHE H 1 72 PHE HB3 . . 3.480 3.569 3.527 3.596 0.116 6 0 "[ . 1 . 2]" 1
706 1 72 PHE H 1 72 PHE QD . . 3.330 2.872 2.330 3.219 . 0 0 "[ . 1 . 2]" 1
707 1 72 PHE HA 1 73 ARG H . . 2.680 2.194 2.120 2.268 . 0 0 "[ . 1 . 2]" 1
708 1 72 PHE QB 1 73 ARG H . . 4.460 3.465 3.318 3.605 . 0 0 "[ . 1 . 2]" 1
709 1 72 PHE QB 1 90 PHE HA . . 6.040 2.880 2.286 3.319 . 0 0 "[ . 1 . 2]" 1
710 1 72 PHE QB 1 91 ASN H . . 5.570 3.649 3.288 3.972 . 0 0 "[ . 1 . 2]" 1
711 1 72 PHE HB2 1 72 PHE QD . . 3.360 2.339 2.284 2.402 . 0 0 "[ . 1 . 2]" 1
712 1 72 PHE HB3 1 72 PHE QD . . 3.360 2.520 2.445 2.612 . 0 0 "[ . 1 . 2]" 1
713 1 72 PHE QD 1 90 PHE HZ . . 5.470 4.985 4.100 5.308 . 0 0 "[ . 1 . 2]" 1
714 1 73 ARG H 1 73 ARG HA . . 2.770 2.887 2.853 2.919 0.149 8 0 "[ . 1 . 2]" 1
715 1 73 ARG H 1 73 ARG HB2 . . 3.860 2.452 2.146 2.646 . 0 0 "[ . 1 . 2]" 1
716 1 73 ARG H 1 73 ARG QB . . 3.270 2.241 2.104 2.345 . 0 0 "[ . 1 . 2]" 1
717 1 73 ARG H 1 73 ARG HB3 . . 3.860 2.663 2.462 3.030 . 0 0 "[ . 1 . 2]" 1
718 1 73 ARG H 1 94 VAL MG1 . . 6.120 4.738 2.672 5.237 . 0 0 "[ . 1 . 2]" 1
719 1 73 ARG H 1 94 VAL QG . . 5.170 3.106 2.648 3.764 . 0 0 "[ . 1 . 2]" 1
720 1 73 ARG H 1 94 VAL MG2 . . 6.120 3.258 2.755 4.313 . 0 0 "[ . 1 . 2]" 1
721 1 73 ARG HA 1 74 ALA H . . 2.400 2.305 2.226 2.403 0.003 4 0 "[ . 1 . 2]" 1
722 1 73 ARG QB 1 92 GLY QA . . 5.110 3.282 2.865 3.552 . 0 0 "[ . 1 . 2]" 1
723 1 73 ARG QB 1 94 VAL QG . . 8.190 2.312 2.024 2.740 . 0 0 "[ . 1 . 2]" 1
724 1 73 ARG HE 1 73 ARG HG2 . . 3.860 2.469 2.082 3.091 . 0 0 "[ . 1 . 2]" 1
725 1 73 ARG HE 1 73 ARG QG . . 3.280 2.204 2.062 2.348 . 0 0 "[ . 1 . 2]" 1
726 1 73 ARG HE 1 73 ARG HG3 . . 3.860 2.790 2.192 3.593 . 0 0 "[ . 1 . 2]" 1
727 1 73 ARG QG 1 74 ALA H . . 3.850 2.850 2.245 3.394 . 0 0 "[ . 1 . 2]" 1
728 1 73 ARG HG2 1 74 ALA H . . 4.630 3.028 2.262 3.753 . 0 0 "[ . 1 . 2]" 1
729 1 73 ARG HG3 1 74 ALA H . . 4.630 3.573 2.700 4.349 . 0 0 "[ . 1 . 2]" 1
730 1 74 ALA H 1 74 ALA HA . . 2.930 2.955 2.909 2.986 0.056 14 0 "[ . 1 . 2]" 1
731 1 74 ALA HA 1 75 ASP H . . 2.620 2.174 2.103 2.242 . 0 0 "[ . 1 . 2]" 1
732 1 74 ALA HA 1 90 PHE HA . . 3.830 3.783 3.597 3.873 0.043 4 0 "[ . 1 . 2]" 1
733 1 74 ALA HA 1 90 PHE QD . . 5.500 5.339 5.113 5.454 . 0 0 "[ . 1 . 2]" 1
734 1 74 ALA HA 1 91 ASN H . . 4.910 3.407 2.932 3.591 . 0 0 "[ . 1 . 2]" 1
735 1 74 ALA MB 1 75 ASP H . . 4.140 3.355 3.161 3.558 . 0 0 "[ . 1 . 2]" 1
736 1 74 ALA MB 1 90 PHE HA . . 4.950 3.223 3.030 3.509 . 0 0 "[ . 1 . 2]" 1
737 1 74 ALA MB 1 90 PHE HB2 . . 6.530 4.424 4.149 4.601 . 0 0 "[ . 1 . 2]" 1
738 1 74 ALA MB 1 90 PHE QB . . 5.770 4.196 4.009 4.311 . 0 0 "[ . 1 . 2]" 1
739 1 74 ALA MB 1 90 PHE HB3 . . 6.530 5.233 5.066 5.314 . 0 0 "[ . 1 . 2]" 1
740 1 74 ALA MB 1 90 PHE QD . . 5.540 3.854 3.701 4.043 . 0 0 "[ . 1 . 2]" 1
741 1 75 ASP H 1 75 ASP HB2 . . 4.040 2.796 2.408 3.723 . 0 0 "[ . 1 . 2]" 1
742 1 75 ASP H 1 75 ASP QB . . 3.690 2.555 2.301 3.025 . 0 0 "[ . 1 . 2]" 1
743 1 75 ASP H 1 75 ASP HB3 . . 4.040 3.384 2.371 3.748 . 0 0 "[ . 1 . 2]" 1
744 1 75 ASP H 1 88 LEU QB . . 5.640 3.725 3.294 4.289 . 0 0 "[ . 1 . 2]" 1
745 1 75 ASP H 1 89 ARG H . . 4.010 4.117 3.938 4.228 0.218 18 0 "[ . 1 . 2]" 1
746 1 75 ASP H 1 89 ARG HA . . 3.640 1.964 1.846 2.202 . 0 0 "[ . 1 . 2]" 1
747 1 75 ASP HA 1 76 ILE H . . 2.490 2.331 2.185 2.537 0.047 18 0 "[ . 1 . 2]" 1
748 1 75 ASP QB 1 76 ILE H . . 4.120 3.184 2.173 4.020 . 0 0 "[ . 1 . 2]" 1
749 1 75 ASP QB 1 88 LEU QB . . 6.000 2.704 2.072 3.946 . 0 0 "[ . 1 . 2]" 1
750 1 75 ASP QB 1 88 LEU QD . . 7.770 3.475 2.322 5.101 . 0 0 "[ . 1 . 2]" 1
751 1 75 ASP HB2 1 88 LEU HB2 . . 7.250 4.308 3.374 5.704 . 0 0 "[ . 1 . 2]" 1
752 1 75 ASP HB2 1 88 LEU HB3 . . 7.250 3.202 2.112 4.692 . 0 0 "[ . 1 . 2]" 1
753 1 75 ASP HB3 1 88 LEU HB2 . . 7.250 4.464 2.456 6.085 . 0 0 "[ . 1 . 2]" 1
754 1 75 ASP HB3 1 88 LEU HB3 . . 7.250 3.632 2.199 5.559 . 0 0 "[ . 1 . 2]" 1
755 1 76 ILE H 1 76 ILE HB . . 2.770 2.588 2.230 2.882 0.112 13 0 "[ . 1 . 2]" 1
756 1 76 ILE H 1 76 ILE QG . . 4.950 3.431 2.310 4.170 . 0 0 "[ . 1 . 2]" 1
757 1 76 ILE HA 1 76 ILE QG . . 3.590 2.511 2.131 2.950 . 0 0 "[ . 1 . 2]" 1
758 1 76 ILE HA 1 77 SER H . . 2.400 2.194 2.081 2.406 0.006 18 0 "[ . 1 . 2]" 1
759 1 76 ILE HA 1 87 LEU HA . . 4.290 4.068 3.777 4.285 . 0 0 "[ . 1 . 2]" 1
760 1 76 ILE HA 1 88 LEU H . . 3.080 2.632 2.268 2.862 . 0 0 "[ . 1 . 2]" 1
761 1 76 ILE MD 1 89 ARG HE . . 6.160 2.631 1.891 3.835 . 0 0 "[ . 1 . 2]" 1
762 1 76 ILE QG 1 77 SER H . . 5.950 4.022 2.474 4.643 . 0 0 "[ . 1 . 2]" 1
763 1 76 ILE MG 1 77 SER H . . 4.110 2.585 2.143 2.952 . 0 0 "[ . 1 . 2]" 1
764 1 76 ILE MG 1 77 SER HA . . 5.350 3.697 3.102 4.176 . 0 0 "[ . 1 . 2]" 1
765 1 76 ILE MG 1 86 LYS H . . 5.540 2.991 2.542 3.577 . 0 0 "[ . 1 . 2]" 1
766 1 77 SER H 1 77 SER HB2 . . 3.480 2.770 2.241 3.364 . 0 0 "[ . 1 . 2]" 1
767 1 77 SER H 1 77 SER QB . . 3.080 2.413 2.147 2.633 . 0 0 "[ . 1 . 2]" 1
768 1 77 SER H 1 77 SER HB3 . . 3.480 2.931 2.190 3.638 0.158 12 0 "[ . 1 . 2]" 1
769 1 77 SER H 1 86 LYS H . . 3.140 3.137 2.928 3.214 0.074 20 0 "[ . 1 . 2]" 1
770 1 77 SER H 1 87 LEU HA . . 4.820 4.755 4.456 4.895 0.075 4 0 "[ . 1 . 2]" 1
771 1 77 SER H 1 88 LEU H . . 4.110 3.585 3.324 4.104 . 0 0 "[ . 1 . 2]" 1
772 1 77 SER H 1 88 LEU QB . . 5.300 2.952 2.401 3.593 . 0 0 "[ . 1 . 2]" 1
773 1 77 SER H 1 88 LEU QD . . 7.230 3.423 2.656 4.204 . 0 0 "[ . 1 . 2]" 1
774 1 77 SER HA 1 77 SER HB2 . . 2.900 2.672 2.347 3.019 0.119 14 0 "[ . 1 . 2]" 1
775 1 77 SER HA 1 77 SER HB3 . . 2.900 2.887 2.436 3.030 0.130 18 0 "[ . 1 . 2]" 1
776 1 77 SER HA 1 78 GLU H . . 2.400 2.310 2.195 2.412 0.012 20 0 "[ . 1 . 2]" 1
777 1 77 SER QB 1 78 GLU H . . 4.150 3.290 2.520 3.952 . 0 0 "[ . 1 . 2]" 1
778 1 77 SER QB 1 88 LEU QD . . 6.840 2.499 1.886 3.374 . 0 0 "[ . 1 . 2]" 1
779 1 77 SER QB 1 88 LEU HG . . 4.580 3.431 2.696 4.206 . 0 0 "[ . 1 . 2]" 1
780 1 78 GLU H 1 78 GLU HA . . 2.860 2.942 2.912 2.964 0.104 16 0 "[ . 1 . 2]" 1
781 1 78 GLU H 1 78 GLU HB2 . . 3.670 2.550 2.337 2.774 . 0 0 "[ . 1 . 2]" 1
782 1 78 GLU H 1 78 GLU QB . . 3.330 2.506 2.308 2.710 . 0 0 "[ . 1 . 2]" 1
783 1 78 GLU H 1 78 GLU HB3 . . 3.670 3.702 3.573 3.807 0.137 4 0 "[ . 1 . 2]" 1
784 1 78 GLU H 1 78 GLU QG . . 4.180 3.026 2.680 3.848 . 0 0 "[ . 1 . 2]" 1
785 1 78 GLU HA 1 78 GLU QG . . 3.520 2.349 2.212 2.642 . 0 0 "[ . 1 . 2]" 1
786 1 78 GLU HA 1 79 ASP H . . 2.400 2.339 2.135 2.479 0.079 2 0 "[ . 1 . 2]" 1
787 1 78 GLU HA 1 85 ARG HA . . 2.650 2.568 2.178 2.799 0.149 1 0 "[ . 1 . 2]" 1
788 1 78 GLU HA 1 86 LYS H . . 4.140 3.312 3.038 3.488 . 0 0 "[ . 1 . 2]" 1
789 1 78 GLU QB 1 79 ASP H . . 3.170 2.352 2.095 2.692 . 0 0 "[ . 1 . 2]" 1
790 1 78 GLU HB2 1 79 ASP H . . 3.610 3.602 3.325 3.781 0.171 12 0 "[ . 1 . 2]" 1
791 1 78 GLU HB3 1 79 ASP H . . 3.610 2.385 2.115 2.755 . 0 0 "[ . 1 . 2]" 1
792 1 78 GLU QG 1 79 ASP H . . 4.400 3.798 3.388 3.973 . 0 0 "[ . 1 . 2]" 1
793 1 78 GLU QG 1 83 ARG HA . . 5.260 4.257 3.279 4.612 . 0 0 "[ . 1 . 2]" 1
794 1 78 GLU QG 1 85 ARG HA . . 5.670 2.681 2.135 3.382 . 0 0 "[ . 1 . 2]" 1
795 1 79 ASP H 1 79 ASP HB2 . . 2.800 2.759 2.429 2.884 0.084 10 0 "[ . 1 . 2]" 1
796 1 79 ASP H 1 79 ASP HB3 . . 2.800 2.541 2.400 2.716 . 0 0 "[ . 1 . 2]" 1
797 1 79 ASP H 1 84 GLY H . . 4.110 2.454 2.032 3.101 . 0 0 "[ . 1 . 2]" 1
798 1 79 ASP HA 1 80 TYR H . . 2.800 2.224 2.163 2.322 . 0 0 "[ . 1 . 2]" 1
799 1 79 ASP HA 1 81 LYS H . . 4.420 3.827 3.622 4.477 0.057 9 0 "[ . 1 . 2]" 1
800 1 79 ASP QB 1 81 LYS H . . 5.020 3.932 3.293 4.489 . 0 0 "[ . 1 . 2]" 1
801 1 79 ASP QB 1 83 ARG H . . 4.180 3.289 2.642 3.569 . 0 0 "[ . 1 . 2]" 1
802 1 79 ASP QB 1 84 GLY H . . 4.180 2.124 1.947 2.472 . 0 0 "[ . 1 . 2]" 1
803 1 80 TYR H 1 80 TYR HB2 . . 2.990 2.368 2.113 2.631 . 0 0 "[ . 1 . 2]" 1
804 1 80 TYR H 1 80 TYR QB . . 2.700 2.181 2.066 2.263 . 0 0 "[ . 1 . 2]" 1
805 1 80 TYR H 1 80 TYR HB3 . . 2.990 2.654 2.348 2.962 . 0 0 "[ . 1 . 2]" 1
806 1 80 TYR H 1 81 LYS H . . 3.450 3.062 2.647 3.410 . 0 0 "[ . 1 . 2]" 1
807 1 80 TYR QB 1 81 LYS H . . 3.930 2.693 2.421 3.127 . 0 0 "[ . 1 . 2]" 1
808 1 81 LYS H 1 81 LYS HB2 . . 2.960 2.364 2.168 2.721 . 0 0 "[ . 1 . 2]" 1
809 1 81 LYS H 1 81 LYS HB3 . . 3.140 2.566 2.308 2.807 . 0 0 "[ . 1 . 2]" 1
810 1 81 LYS H 1 81 LYS QD . . 4.430 3.992 3.612 4.195 . 0 0 "[ . 1 . 2]" 1
811 1 81 LYS H 1 82 THR H . . 2.990 2.870 2.406 3.033 0.043 15 0 "[ . 1 . 2]" 1
812 1 81 LYS HA 1 81 LYS HB2 . . 2.680 2.502 2.340 2.624 . 0 0 "[ . 1 . 2]" 1
813 1 81 LYS HB3 1 82 THR H . . 2.860 2.684 2.017 2.967 0.107 7 0 "[ . 1 . 2]" 1
814 1 81 LYS QD 1 82 THR HA . . 6.380 4.882 2.355 5.788 . 0 0 "[ . 1 . 2]" 1
815 1 82 THR H 1 82 THR HB . . 2.900 2.752 2.349 2.980 0.080 2 0 "[ . 1 . 2]" 1
816 1 82 THR H 1 82 THR MG . . 4.110 3.849 3.704 3.971 . 0 0 "[ . 1 . 2]" 1
817 1 82 THR H 1 83 ARG H . . 3.450 2.944 2.268 3.478 0.028 8 0 "[ . 1 . 2]" 1
818 1 82 THR H 1 84 GLY H . . 4.260 3.826 3.347 4.207 . 0 0 "[ . 1 . 2]" 1
819 1 82 THR HA 1 82 THR MG . . 3.430 2.429 2.230 2.690 . 0 0 "[ . 1 . 2]" 1
820 1 82 THR HB 1 83 ARG H . . 3.450 2.208 1.949 3.096 . 0 0 "[ . 1 . 2]" 1
821 1 83 ARG H 1 83 ARG HA . . 2.830 2.737 2.213 2.867 0.037 4 0 "[ . 1 . 2]" 1
822 1 83 ARG H 1 83 ARG QG . . 4.640 3.637 2.699 4.212 . 0 0 "[ . 1 . 2]" 1
823 1 83 ARG H 1 84 GLY H . . 3.080 2.118 1.849 2.847 . 0 0 "[ . 1 . 2]" 1
824 1 83 ARG HA 1 83 ARG HB2 . . 2.800 2.776 2.403 2.991 0.191 8 0 "[ . 1 . 2]" 1
825 1 83 ARG HA 1 83 ARG HB3 . . 2.800 2.676 2.380 2.953 0.153 11 0 "[ . 1 . 2]" 1
826 1 83 ARG HA 1 83 ARG QG . . 3.740 2.555 2.104 3.405 . 0 0 "[ . 1 . 2]" 1
827 1 83 ARG HA 1 84 GLY H . . 3.270 2.701 2.557 2.973 . 0 0 "[ . 1 . 2]" 1
828 1 84 GLY H 1 84 GLY HA2 . . 2.830 2.909 2.870 2.942 0.112 10 0 "[ . 1 . 2]" 1
829 1 84 GLY H 1 84 GLY QA . . 2.580 2.238 2.222 2.262 . 0 0 "[ . 1 . 2]" 1
830 1 84 GLY H 1 84 GLY HA3 . . 2.830 2.327 2.308 2.354 . 0 0 "[ . 1 . 2]" 1
831 1 84 GLY QA 1 85 ARG QB . . 6.170 4.301 3.530 4.552 . 0 0 "[ . 1 . 2]" 1
832 1 84 GLY QA 1 85 ARG QG . . 6.070 3.655 3.084 4.931 . 0 0 "[ . 1 . 2]" 1
833 1 84 GLY HA2 1 85 ARG H . . 2.900 2.572 2.145 2.774 . 0 0 "[ . 1 . 2]" 1
834 1 84 GLY HA3 1 85 ARG H . . 2.900 2.766 2.547 3.064 0.164 4 0 "[ . 1 . 2]" 1
835 1 85 ARG H 1 85 ARG QB . . 3.540 3.079 2.586 3.274 . 0 0 "[ . 1 . 2]" 1
836 1 85 ARG H 1 85 ARG HE . . 5.500 3.343 2.086 5.518 0.018 18 0 "[ . 1 . 2]" 1
837 1 85 ARG H 1 85 ARG QG . . 4.800 3.007 2.016 4.179 . 0 0 "[ . 1 . 2]" 1
838 1 85 ARG H 1 86 LYS H . . 5.220 4.239 3.881 4.576 . 0 0 "[ . 1 . 2]" 1
839 1 85 ARG HA 1 85 ARG QB . . 2.740 2.220 2.095 2.581 . 0 0 "[ . 1 . 2]" 1
840 1 85 ARG HA 1 85 ARG QG . . 3.800 3.004 2.106 3.477 . 0 0 "[ . 1 . 2]" 1
841 1 85 ARG HA 1 86 LYS H . . 2.900 2.192 2.119 2.289 . 0 0 "[ . 1 . 2]" 1
842 1 85 ARG HA 1 86 LYS QG . . 5.540 4.298 3.843 4.754 . 0 0 "[ . 1 . 2]" 1
843 1 85 ARG HE 1 85 ARG QG . . 3.770 2.472 2.087 3.286 . 0 0 "[ . 1 . 2]" 1
844 1 85 ARG QG 1 86 LYS H . . 6.290 4.549 3.356 5.000 . 0 0 "[ . 1 . 2]" 1
845 1 86 LYS H 1 86 LYS QB . . 3.430 2.482 2.390 2.619 . 0 0 "[ . 1 . 2]" 1
846 1 86 LYS HA 1 86 LYS QB . . 2.700 2.450 2.365 2.542 . 0 0 "[ . 1 . 2]" 1
847 1 86 LYS HA 1 86 LYS QD . . 4.300 2.757 2.215 3.267 . 0 0 "[ . 1 . 2]" 1
848 1 86 LYS HA 1 87 LEU H . . 2.400 2.076 2.000 2.121 . 0 0 "[ . 1 . 2]" 1
849 1 86 LYS QB 1 87 LEU H . . 4.020 3.022 2.709 3.376 . 0 0 "[ . 1 . 2]" 1
850 1 86 LYS QD 1 87 LEU H . . 4.580 3.428 2.741 4.010 . 0 0 "[ . 1 . 2]" 1
851 1 87 LEU H 1 87 LEU HB2 . . 3.270 2.245 2.108 2.365 . 0 0 "[ . 1 . 2]" 1
852 1 87 LEU H 1 87 LEU QB . . 2.920 2.108 2.025 2.157 . 0 0 "[ . 1 . 2]" 1
853 1 87 LEU H 1 87 LEU HB3 . . 3.270 2.575 2.471 2.736 . 0 0 "[ . 1 . 2]" 1
854 1 87 LEU H 1 87 LEU HG . . 4.910 4.252 4.078 4.370 . 0 0 "[ . 1 . 2]" 1
855 1 87 LEU HA 1 88 LEU H . . 2.770 2.240 2.134 2.290 . 0 0 "[ . 1 . 2]" 1
856 1 87 LEU HA 1 88 LEU QB . . 5.260 4.348 4.158 4.564 . 0 0 "[ . 1 . 2]" 1
857 1 87 LEU QB 1 88 LEU H . . 4.520 4.031 3.982 4.058 . 0 0 "[ . 1 . 2]" 1
858 1 87 LEU QD 1 88 LEU H . . 5.900 3.256 2.936 3.526 . 0 0 "[ . 1 . 2]" 1
859 1 87 LEU QD 1 89 ARG HE . . 6.140 4.429 4.072 4.661 . 0 0 "[ . 1 . 2]" 1
860 1 87 LEU QD 1 90 PHE QD . . 6.830 4.265 3.745 4.712 . 0 0 "[ . 1 . 2]" 1
861 1 87 LEU HG 1 88 LEU H . . 4.480 4.184 3.845 4.480 . 0 0 "[ . 1 . 2]" 1
862 1 87 LEU HG 1 89 ARG H . . 4.600 3.609 3.132 4.124 . 0 0 "[ . 1 . 2]" 1
863 1 87 LEU HG 1 89 ARG HE . . 4.320 4.115 3.733 4.436 0.116 2 0 "[ . 1 . 2]" 1
864 1 88 LEU H 1 88 LEU HB2 . . 4.040 2.444 2.289 2.629 . 0 0 "[ . 1 . 2]" 1
865 1 88 LEU H 1 88 LEU QB . . 3.350 2.392 2.259 2.582 . 0 0 "[ . 1 . 2]" 1
866 1 88 LEU H 1 88 LEU HB3 . . 4.040 3.451 3.019 3.777 . 0 0 "[ . 1 . 2]" 1
867 1 88 LEU H 1 89 ARG H . . 2.800 2.132 1.950 2.289 . 0 0 "[ . 1 . 2]" 1
868 1 88 LEU HA 1 88 LEU HB2 . . 2.960 2.954 2.805 3.017 0.057 4 0 "[ . 1 . 2]" 1
869 1 88 LEU HA 1 88 LEU HB3 . . 2.960 2.762 2.550 2.970 0.010 14 0 "[ . 1 . 2]" 1
870 1 88 LEU QB 1 89 ARG H . . 4.190 3.572 3.306 3.798 . 0 0 "[ . 1 . 2]" 1
871 1 88 LEU HB2 1 89 ARG H . . 4.880 3.925 3.507 4.197 . 0 0 "[ . 1 . 2]" 1
872 1 88 LEU HB3 1 89 ARG H . . 4.880 4.143 3.916 4.474 . 0 0 "[ . 1 . 2]" 1
873 1 88 LEU QD 1 89 ARG H . . 8.040 4.289 4.081 4.569 . 0 0 "[ . 1 . 2]" 1
874 1 89 ARG H 1 89 ARG HB2 . . 3.830 3.537 3.342 3.608 . 0 0 "[ . 1 . 2]" 1
875 1 89 ARG H 1 89 ARG HB3 . . 3.480 3.003 2.665 3.458 . 0 0 "[ . 1 . 2]" 1
876 1 89 ARG H 1 89 ARG HE . . 5.070 4.718 4.490 4.930 . 0 0 "[ . 1 . 2]" 1
877 1 89 ARG H 1 89 ARG QG . . 3.810 1.943 1.804 2.053 . 0 0 "[ . 1 . 2]" 1
878 1 89 ARG HA 1 90 PHE H . . 2.960 2.400 2.014 2.633 . 0 0 "[ . 1 . 2]" 1
879 1 89 ARG HB2 1 90 PHE H . . 3.830 2.314 2.137 2.928 . 0 0 "[ . 1 . 2]" 1
880 1 89 ARG HB3 1 90 PHE H . . 3.330 3.312 2.844 3.481 0.151 11 0 "[ . 1 . 2]" 1
881 1 89 ARG HB3 1 90 PHE QB . . 6.380 4.773 4.348 5.207 . 0 0 "[ . 1 . 2]" 1
882 1 89 ARG QG 1 90 PHE H . . 4.360 3.938 3.692 4.287 . 0 0 "[ . 1 . 2]" 1
883 1 90 PHE H 1 90 PHE HB2 . . 4.070 3.190 2.866 3.405 . 0 0 "[ . 1 . 2]" 1
884 1 90 PHE H 1 90 PHE QB . . 3.460 3.073 2.798 3.248 . 0 0 "[ . 1 . 2]" 1
885 1 90 PHE H 1 90 PHE HB3 . . 4.070 4.029 3.865 4.127 0.057 2 0 "[ . 1 . 2]" 1
886 1 90 PHE HA 1 90 PHE QD . . 3.730 2.941 2.767 3.072 . 0 0 "[ . 1 . 2]" 1
887 1 90 PHE HA 1 91 ASN H . . 2.740 2.337 2.165 2.519 . 0 0 "[ . 1 . 2]" 1
888 1 91 ASN H 1 91 ASN HB2 . . 3.480 2.864 2.537 3.311 . 0 0 "[ . 1 . 2]" 1
889 1 91 ASN H 1 91 ASN QB . . 3.120 2.587 2.417 2.716 . 0 0 "[ . 1 . 2]" 1
890 1 91 ASN H 1 91 ASN HB3 . . 3.480 3.045 2.753 3.514 0.034 17 0 "[ . 1 . 2]" 1
891 1 91 ASN HA 1 91 ASN HB2 . . 2.960 2.709 2.494 2.992 0.032 17 0 "[ . 1 . 2]" 1
892 1 91 ASN HA 1 91 ASN HB3 . . 2.960 2.969 2.745 3.031 0.071 14 0 "[ . 1 . 2]" 1
893 1 91 ASN HA 1 92 GLY H . . 2.680 2.416 2.237 2.607 . 0 0 "[ . 1 . 2]" 1
894 1 91 ASN QB 1 92 GLY H . . 3.470 3.024 2.651 3.339 . 0 0 "[ . 1 . 2]" 1
895 1 91 ASN HB2 1 92 GLY H . . 4.040 3.982 3.887 4.079 0.039 20 0 "[ . 1 . 2]" 1
896 1 91 ASN HB3 1 92 GLY H . . 4.040 3.149 2.690 3.624 . 0 0 "[ . 1 . 2]" 1
897 1 92 GLY QA 1 94 VAL QG . . 7.110 2.397 2.213 3.065 . 0 0 "[ . 1 . 2]" 1
898 1 93 PRO HA 1 94 VAL H . . 2.460 2.467 2.398 2.506 0.046 7 0 "[ . 1 . 2]" 1
899 1 94 VAL H 1 94 VAL QG . . 4.250 2.719 2.240 3.035 . 0 0 "[ . 1 . 2]" 1
900 1 94 VAL QG 1 95 PRO QD . . 6.240 2.503 2.091 3.002 . 0 0 "[ . 1 . 2]" 1
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