NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
541664 |
2lqp   |
18323 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqp
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 842
_Distance_constraint_stats_list.Viol_count 1459
_Distance_constraint_stats_list.Viol_total 5133.015
_Distance_constraint_stats_list.Viol_max 1.884
_Distance_constraint_stats_list.Viol_rms 0.0964
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0169
_Distance_constraint_stats_list.Viol_average_violations_only 0.1852
_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 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 3 ASP 0.068 0.068 19 0 "[ . 1 . ]"
1 4 SER 0.696 0.224 6 0 "[ . 1 . ]"
1 5 GLU 0.466 0.225 8 0 "[ . 1 . ]"
1 6 GLU 1.069 0.112 3 0 "[ . 1 . ]"
1 7 GLU 0.204 0.168 9 0 "[ . 1 . ]"
1 8 ILE 33.050 1.451 9 19 [********+***-******]
1 9 ARG 0.010 0.010 8 0 "[ . 1 . ]"
1 10 GLU 0.433 0.102 9 0 "[ . 1 . ]"
1 11 ALA 9.081 0.298 15 0 "[ . 1 . ]"
1 12 PHE 50.250 1.884 11 19 [**********+*-******]
1 13 ARG 39.088 1.884 11 19 [**********+********]
1 14 VAL 1.226 0.148 11 0 "[ . 1 . ]"
1 15 PHE 5.092 0.367 11 0 "[ . 1 . ]"
1 16 ASP 1.923 0.306 18 0 "[ . 1 . ]"
1 17 LYS 17.963 1.666 15 13 "[ ***.***-1 ***+** ]"
1 18 ASP 0.442 0.253 18 0 "[ . 1 . ]"
1 19 GLY 0.723 0.306 18 0 "[ . 1 . ]"
1 20 ASN 0.567 0.148 17 0 "[ . 1 . ]"
1 21 GLY 0.802 0.193 19 0 "[ . 1 . ]"
1 22 TYR 0.943 0.148 17 0 "[ . 1 . ]"
1 23 ILE 23.826 0.487 19 0 "[ . 1 . ]"
1 24 SER 7.645 0.449 17 0 "[ . 1 . ]"
1 25 ALA 12.961 0.577 10 4 "[ * . * + . -]"
1 26 ALA 0.488 0.121 6 0 "[ . 1 . ]"
1 27 GLU 10.748 0.449 17 0 "[ . 1 . ]"
1 28 LEU 27.610 0.977 2 19 [*+*-***************]
1 29 ARG 4.924 0.378 8 0 "[ . 1 . ]"
1 30 HIS 1.703 0.254 15 0 "[ . 1 . ]"
1 31 VAL 7.488 0.977 2 2 "[ + . - 1 . ]"
1 32 MET 20.844 1.666 15 14 "[ ***.*-**1 ***+** *]"
1 33 THR 1.370 0.531 9 1 "[ . +1 . ]"
1 34 ASN 4.300 0.531 9 1 "[ . +1 . ]"
1 35 LEU 0.261 0.070 8 0 "[ . 1 . ]"
1 36 GLY 2.997 0.237 14 0 "[ . 1 . ]"
1 37 GLU 0.026 0.026 7 0 "[ . 1 . ]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 39 LEU 7.269 1.216 3 3 "[ + . - 1 . *]"
1 40 THR 0.388 0.378 11 0 "[ . 1 . ]"
1 41 ASP 1.115 0.378 11 0 "[ . 1 . ]"
1 42 GLU 4.258 0.196 19 0 "[ . 1 . ]"
1 43 GLU 2.444 0.182 14 0 "[ . 1 . ]"
1 44 VAL 4.203 0.378 8 0 "[ . 1 . ]"
1 45 ASP 3.171 0.297 11 0 "[ . 1 . ]"
1 46 GLU 0.806 0.196 19 0 "[ . 1 . ]"
1 47 MET 12.109 0.875 2 18 "[*+*-************** ]"
1 48 ILE 27.165 1.260 12 2 "[ .- 1 + . ]"
1 49 ARG 1.105 0.152 11 0 "[ . 1 . ]"
1 50 GLU 5.963 0.349 12 0 "[ . 1 . ]"
1 51 ALA 1.884 0.274 6 0 "[ . 1 . ]"
1 52 ASP 6.121 0.271 16 0 "[ . 1 . ]"
1 53 ILE 18.943 0.404 19 0 "[ . 1 . ]"
1 54 ASP 5.677 0.404 19 0 "[ . 1 . ]"
1 55 GLY 7.667 1.260 12 2 "[ .- 1 + . ]"
1 56 ASP 0.974 0.141 12 0 "[ . 1 . ]"
1 57 GLY 1.561 0.199 19 0 "[ . 1 . ]"
1 58 GLN 4.853 0.256 14 0 "[ . 1 . ]"
1 59 VAL 10.581 0.336 14 0 "[ . 1 . ]"
1 60 ASN 8.661 0.506 16 1 "[ . 1 .+ ]"
1 61 TYR 6.612 0.463 19 0 "[ . 1 . ]"
1 62 GLU 1.023 0.107 16 0 "[ . 1 . ]"
1 63 GLU 18.130 0.506 16 1 "[ . 1 .+ ]"
1 64 PHE 35.593 1.451 9 19 [********+***-******]
1 65 VAL 14.678 0.463 19 0 "[ . 1 . ]"
1 66 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 67 MET 3.228 0.349 12 0 "[ . 1 . ]"
1 68 MET 17.225 0.981 16 16 "[***** ** ***-**+ **]"
1 69 THR 0.013 0.007 15 0 "[ . 1 . ]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR H 1 2 THR MG 4.020 . 4.020 2.991 2.198 3.921 . 0 0 "[ . 1 . ]" 1
2 1 33 THR MG 1 34 ASN H 3.830 . 3.830 3.373 3.220 3.489 . 0 0 "[ . 1 . ]" 1
3 1 33 THR MG 1 34 ASN HA 3.550 . 3.550 3.459 3.319 3.534 . 0 0 "[ . 1 . ]" 1
4 1 2 THR HA 1 2 THR MG 3.250 . 3.250 2.520 2.214 3.205 . 0 0 "[ . 1 . ]" 1
5 1 8 ILE HA 1 8 ILE MD 4.210 . 4.210 3.844 3.821 3.860 . 0 0 "[ . 1 . ]" 1
6 1 8 ILE HA 1 68 MET ME 3.790 . 3.790 3.853 3.470 4.047 0.257 18 0 "[ . 1 . ]" 1
7 1 7 GLU HA 1 8 ILE HA 4.930 . 4.930 4.858 4.805 4.885 . 0 0 "[ . 1 . ]" 1
8 1 5 GLU HA 1 8 ILE HB 4.150 . 4.150 3.173 2.950 3.325 . 0 0 "[ . 1 . ]" 1
9 1 8 ILE H 1 8 ILE HG12 5.500 . 5.500 3.291 3.100 3.574 . 0 0 "[ . 1 . ]" 1
10 1 48 ILE MG 1 51 ALA H 4.510 . 4.510 4.485 3.942 4.704 0.194 10 0 "[ . 1 . ]" 1
11 1 48 ILE MG 1 58 GLN H 3.890 . 3.890 4.001 3.816 4.146 0.256 14 0 "[ . 1 . ]" 1
12 1 48 ILE MG 1 55 GLY H 5.390 . 5.390 5.695 5.387 6.650 1.260 12 2 "[ .- 1 + . ]" 1
13 1 48 ILE MG 1 59 VAL HB 4.240 . 4.240 4.065 2.201 4.356 0.116 18 0 "[ . 1 . ]" 1
14 1 48 ILE MG 1 52 ASP HB3 4.130 . 4.130 3.454 3.096 4.020 . 0 0 "[ . 1 . ]" 1
15 1 48 ILE MG 1 57 GLY HA2 4.540 . 4.540 3.006 2.565 3.419 . 0 0 "[ . 1 . ]" 1
16 1 48 ILE MG 1 49 ARG HA 3.820 . 3.820 3.132 3.074 3.281 . 0 0 "[ . 1 . ]" 1
17 1 48 ILE MG 1 57 GLY HA3 4.540 . 4.540 4.298 3.942 4.647 0.107 18 0 "[ . 1 . ]" 1
18 1 48 ILE MG 1 52 ASP HA 4.410 . 4.410 3.876 2.970 4.177 . 0 0 "[ . 1 . ]" 1
19 1 45 ASP HA 1 48 ILE MG 4.950 . 4.950 5.094 4.893 5.247 0.297 11 0 "[ . 1 . ]" 1
20 1 48 ILE MG 1 58 GLN HA 4.200 . 4.200 3.600 2.969 4.304 0.104 19 0 "[ . 1 . ]" 1
21 1 48 ILE MG 1 53 ILE H 5.500 . 5.500 5.608 4.736 5.808 0.308 19 0 "[ . 1 . ]" 1
22 1 9 ARG HB2 1 10 GLU HA 4.780 . 4.780 4.573 4.486 4.701 . 0 0 "[ . 1 . ]" 1
23 1 9 ARG HB3 1 10 GLU HA 5.090 . 5.090 4.381 4.299 4.459 . 0 0 "[ . 1 . ]" 1
24 1 41 ASP HB3 1 42 GLU HG2 5.500 . 5.500 4.903 3.900 5.642 0.142 3 0 "[ . 1 . ]" 1
25 1 41 ASP HB3 1 42 GLU HG3 5.500 . 5.500 4.229 3.206 5.130 . 0 0 "[ . 1 . ]" 1
26 1 12 PHE H 1 68 MET ME 4.650 . 4.650 5.364 4.982 5.631 0.981 16 16 "[***** ** ***-**+ **]" 1
27 1 12 PHE QE 1 68 MET ME 3.430 . 3.430 2.152 2.010 2.485 . 0 0 "[ . 1 . ]" 1
28 1 68 MET HB2 1 68 MET ME 3.520 . 3.520 2.723 2.198 3.277 . 0 0 "[ . 1 . ]" 1
29 1 68 MET HB3 1 68 MET ME 3.520 . 3.520 2.476 2.160 3.552 0.032 2 0 "[ . 1 . ]" 1
30 1 8 ILE HG12 1 68 MET ME 3.970 . 3.970 3.279 2.724 3.580 . 0 0 "[ . 1 . ]" 1
31 1 8 ILE MD 1 68 MET ME 4.080 . 4.080 3.905 3.547 4.150 0.070 17 0 "[ . 1 . ]" 1
32 1 9 ARG HA 1 12 PHE HB2 4.680 . 4.680 3.486 3.217 3.695 . 0 0 "[ . 1 . ]" 1
33 1 12 PHE HB3 1 61 TYR QD 5.500 . 5.500 2.456 2.259 3.441 . 0 0 "[ . 1 . ]" 1
34 1 12 PHE HB2 1 61 TYR QD 5.500 . 5.500 2.854 2.325 4.142 . 0 0 "[ . 1 . ]" 1
35 1 29 ARG HB2 1 30 HIS HA 4.870 . 4.870 4.369 4.164 4.579 . 0 0 "[ . 1 . ]" 1
36 1 29 ARG HB3 1 44 VAL MG1 3.750 . 3.750 2.695 2.351 3.165 . 0 0 "[ . 1 . ]" 1
37 1 13 ARG HA 1 13 ARG HD2 4.200 . 4.200 4.045 3.291 4.470 0.270 19 0 "[ . 1 . ]" 1
38 1 13 ARG HA 1 13 ARG HD3 4.200 . 4.200 3.525 2.282 4.336 0.136 14 0 "[ . 1 . ]" 1
39 1 49 ARG HA 1 49 ARG HD2 3.870 . 3.870 3.172 2.284 3.898 0.028 4 0 "[ . 1 . ]" 1
40 1 49 ARG HA 1 49 ARG HD3 3.870 . 3.870 2.942 2.253 3.784 . 0 0 "[ . 1 . ]" 1
41 1 31 VAL H 1 31 VAL MG2 4.240 . 4.240 3.329 2.082 3.746 . 0 0 "[ . 1 . ]" 1
42 1 31 VAL MG2 1 34 ASN H 5.500 . 5.500 4.777 4.592 5.148 . 0 0 "[ . 1 . ]" 1
43 1 14 VAL H 1 14 VAL MG2 4.240 . 4.240 2.178 1.777 3.755 . 0 0 "[ . 1 . ]" 1
44 1 14 VAL MG2 1 15 PHE H 5.500 . 5.500 3.684 2.158 3.919 . 0 0 "[ . 1 . ]" 1
45 1 11 ALA HA 1 14 VAL MG2 4.410 . 4.410 3.309 2.116 4.558 0.148 11 0 "[ . 1 . ]" 1
46 1 31 VAL HA 1 31 VAL MG2 3.590 . 3.590 2.377 2.223 3.197 . 0 0 "[ . 1 . ]" 1
47 1 17 LYS HD2 1 31 VAL MG2 5.050 . 5.050 3.587 2.055 5.242 0.192 2 0 "[ . 1 . ]" 1
48 1 17 LYS HD3 1 31 VAL MG2 5.050 . 5.050 4.047 2.617 4.984 . 0 0 "[ . 1 . ]" 1
49 1 12 PHE HB3 1 13 ARG HA 4.290 . 4.290 4.174 3.852 4.289 . 0 0 "[ . 1 . ]" 1
50 1 17 LYS HB2 1 27 GLU HB3 4.250 . 4.250 3.532 2.648 3.994 . 0 0 "[ . 1 . ]" 1
51 1 48 ILE MG 1 49 ARG HG2 3.830 . 3.830 3.463 3.316 3.781 . 0 0 "[ . 1 . ]" 1
52 1 49 ARG HA 1 49 ARG HG2 4.080 . 4.080 2.546 2.411 2.622 . 0 0 "[ . 1 . ]" 1
53 1 45 ASP HA 1 49 ARG HG2 5.500 . 5.500 4.213 4.019 4.494 . 0 0 "[ . 1 . ]" 1
54 1 49 ARG HG2 1 50 GLU H 4.940 . 4.940 4.584 4.476 4.700 . 0 0 "[ . 1 . ]" 1
55 1 27 GLU HG3 1 28 LEU H 5.200 . 5.200 4.177 4.077 4.285 . 0 0 "[ . 1 . ]" 1
56 1 22 TYR HB3 1 58 GLN HB2 5.500 . 5.500 3.813 3.336 4.070 . 0 0 "[ . 1 . ]" 1
57 1 22 TYR HB3 1 58 GLN HB3 3.740 . 3.740 2.308 2.266 2.368 . 0 0 "[ . 1 . ]" 1
58 1 23 ILE HB 1 48 ILE MG 4.870 . 4.870 5.042 4.819 5.147 0.277 17 0 "[ . 1 . ]" 1
59 1 23 ILE HB 1 59 VAL MG1 4.080 . 4.080 3.750 2.075 4.161 0.081 2 0 "[ . 1 . ]" 1
60 1 23 ILE HB 1 59 VAL H 4.970 . 4.970 2.955 2.646 3.413 . 0 0 "[ . 1 . ]" 1
61 1 59 VAL MG1 1 60 ASN H 4.980 . 4.980 3.577 2.490 4.325 . 0 0 "[ . 1 . ]" 1
62 1 59 VAL MG1 1 64 PHE QE 4.670 . 4.670 4.389 3.191 4.785 0.115 1 0 "[ . 1 . ]" 1
63 1 52 ASP HA 1 59 VAL MG1 4.690 . 4.690 2.754 2.078 4.495 . 0 0 "[ . 1 . ]" 1
64 1 23 ILE H 1 23 ILE MG 4.740 . 4.740 3.843 3.723 3.889 . 0 0 "[ . 1 . ]" 1
65 1 23 ILE MG 1 28 LEU H 4.290 . 4.290 4.304 4.003 4.549 0.259 18 0 "[ . 1 . ]" 1
66 1 23 ILE MG 1 64 PHE QE 4.520 . 4.520 2.053 2.014 2.152 . 0 0 "[ . 1 . ]" 1
67 1 23 ILE MG 1 24 SER HA 5.190 . 5.190 3.908 3.635 4.024 . 0 0 "[ . 1 . ]" 1
68 1 23 ILE MG 1 28 LEU HA 4.990 . 4.990 4.761 4.512 5.011 0.021 18 0 "[ . 1 . ]" 1
69 1 15 PHE HB3 1 23 ILE MG 3.650 . 3.650 3.692 3.325 3.837 0.187 7 0 "[ . 1 . ]" 1
70 1 23 ILE MG 1 27 GLU HB2 3.720 . 3.720 3.325 3.047 3.542 . 0 0 "[ . 1 . ]" 1
71 1 23 ILE HG12 1 23 ILE MG 3.310 . 3.310 3.146 2.255 3.208 . 0 0 "[ . 1 . ]" 1
72 1 23 ILE MG 1 28 LEU HG 3.550 . 3.550 3.261 2.785 3.548 . 0 0 "[ . 1 . ]" 1
73 1 23 ILE MG 1 28 LEU QD 3.740 . 3.740 2.079 1.889 2.359 . 0 0 "[ . 1 . ]" 1
74 1 23 ILE MD 1 23 ILE MG 3.200 . 3.200 1.978 1.789 3.233 0.033 19 0 "[ . 1 . ]" 1
75 1 23 ILE HB 1 23 ILE MD 3.720 . 3.720 3.176 2.326 3.242 . 0 0 "[ . 1 . ]" 1
76 1 15 PHE HB2 1 23 ILE MD 3.760 . 3.760 2.959 2.718 3.838 0.078 19 0 "[ . 1 . ]" 1
77 1 15 PHE HB3 1 23 ILE MD 3.810 . 3.810 2.771 2.325 3.773 . 0 0 "[ . 1 . ]" 1
78 1 12 PHE HB2 1 23 ILE MD 5.420 . 5.420 4.475 3.936 4.834 . 0 0 "[ . 1 . ]" 1
79 1 12 PHE HA 1 23 ILE MD 5.500 . 5.500 3.313 3.024 3.573 . 0 0 "[ . 1 . ]" 1
80 1 23 ILE HA 1 23 ILE MD 4.610 . 4.610 2.144 2.083 2.619 . 0 0 "[ . 1 . ]" 1
81 1 12 PHE QD 1 23 ILE MD 3.790 . 3.790 2.600 2.287 3.229 . 0 0 "[ . 1 . ]" 1
82 1 23 ILE MD 1 64 PHE QD 4.350 . 4.350 4.348 3.784 4.456 0.106 16 0 "[ . 1 . ]" 1
83 1 23 ILE MD 1 64 PHE QE 4.160 . 4.160 4.402 4.129 4.647 0.487 19 0 "[ . 1 . ]" 1
84 1 12 PHE H 1 23 ILE MD 5.500 . 5.500 5.430 5.229 5.662 0.162 15 0 "[ . 1 . ]" 1
85 1 23 ILE H 1 23 ILE MD . . 4.320 3.492 1.731 3.993 . 0 0 "[ . 1 . ]" 1
86 1 23 ILE HG13 1 64 PHE QE 5.500 . 5.500 4.145 3.623 4.710 . 0 0 "[ . 1 . ]" 1
87 1 23 ILE HG12 1 64 PHE QE 5.500 . 5.500 5.285 3.674 5.614 0.114 7 0 "[ . 1 . ]" 1
88 1 25 ALA HA 1 48 ILE HB 5.320 . 5.320 4.133 3.912 4.545 . 0 0 "[ . 1 . ]" 1
89 1 25 ALA HA 1 44 VAL MG1 3.610 . 3.610 2.724 2.574 2.899 . 0 0 "[ . 1 . ]" 1
90 1 25 ALA HA 1 28 LEU HG 3.580 . 3.580 2.592 2.312 2.891 . 0 0 "[ . 1 . ]" 1
91 1 25 ALA MB 1 29 ARG H 5.080 . 5.080 4.768 4.615 4.950 . 0 0 "[ . 1 . ]" 1
92 1 25 ALA MB 1 28 LEU H 4.680 . 4.680 4.541 4.497 4.633 . 0 0 "[ . 1 . ]" 1
93 1 25 ALA MB 1 26 ALA H 3.620 . 3.620 2.710 2.630 2.792 . 0 0 "[ . 1 . ]" 1
94 1 24 SER HA 1 25 ALA MB 4.250 . 4.250 4.042 3.982 4.110 . 0 0 "[ . 1 . ]" 1
95 1 25 ALA MB 1 44 VAL HA 5.500 . 5.500 4.700 4.441 5.029 . 0 0 "[ . 1 . ]" 1
96 1 25 ALA MB 1 45 ASP HB3 5.500 . 5.500 4.708 4.555 5.022 . 0 0 "[ . 1 . ]" 1
97 1 25 ALA MB 1 48 ILE HB 4.280 . 4.280 2.953 2.484 3.474 . 0 0 "[ . 1 . ]" 1
98 1 25 ALA MB 1 48 ILE MD 3.260 . 3.260 2.187 2.141 2.238 . 0 0 "[ . 1 . ]" 1
99 1 25 ALA MB 1 28 LEU QD 5.010 . 5.010 3.383 3.188 3.568 . 0 0 "[ . 1 . ]" 1
100 1 25 ALA H 1 26 ALA MB 4.990 . 4.990 4.286 4.174 4.431 . 0 0 "[ . 1 . ]" 1
101 1 26 ALA H 1 26 ALA MB . . 2.800 2.178 2.115 2.217 . 0 0 "[ . 1 . ]" 1
102 1 26 ALA MB 1 27 GLU HB3 5.500 . 5.500 5.250 5.210 5.303 . 0 0 "[ . 1 . ]" 1
103 1 17 LYS HB2 1 27 GLU HB2 5.500 . 5.500 4.934 4.219 5.471 . 0 0 "[ . 1 . ]" 1
104 1 26 ALA MB 1 27 GLU HB2 5.500 . 5.500 4.737 4.676 4.801 . 0 0 "[ . 1 . ]" 1
105 1 27 GLU HB2 1 28 LEU HB2 5.500 . 5.500 5.219 5.110 5.317 . 0 0 "[ . 1 . ]" 1
106 1 17 LYS HD2 1 27 GLU HB3 5.500 . 5.500 3.925 2.348 5.416 . 0 0 "[ . 1 . ]" 1
107 1 17 LYS HD3 1 27 GLU HB3 5.500 . 5.500 3.529 2.814 5.283 . 0 0 "[ . 1 . ]" 1
108 1 23 ILE MG 1 27 GLU HB3 5.500 . 5.500 4.367 3.923 4.643 . 0 0 "[ . 1 . ]" 1
109 1 16 ASP HA 1 27 GLU HG2 5.500 . 5.500 4.459 3.834 5.085 . 0 0 "[ . 1 . ]" 1
110 1 16 ASP HA 1 27 GLU HG3 5.500 . 5.500 4.974 4.639 5.387 . 0 0 "[ . 1 . ]" 1
111 1 26 ALA MB 1 27 GLU HG3 4.790 . 4.790 3.165 3.081 3.287 . 0 0 "[ . 1 . ]" 1
112 1 26 ALA MB 1 27 GLU HG2 4.790 . 4.790 4.027 3.869 4.150 . 0 0 "[ . 1 . ]" 1
113 1 28 LEU HA 1 28 LEU QD 3.470 . 3.470 2.075 2.051 2.112 . 0 0 "[ . 1 . ]" 1
114 1 25 ALA HA 1 28 LEU HB2 4.730 . 4.730 3.392 3.112 3.569 . 0 0 "[ . 1 . ]" 1
115 1 25 ALA HA 1 28 LEU HB3 4.780 . 4.780 4.708 4.546 4.839 0.059 2 0 "[ . 1 . ]" 1
116 1 28 LEU HB3 1 29 ARG H 4.690 . 4.690 3.550 3.427 3.646 . 0 0 "[ . 1 . ]" 1
117 1 28 LEU QD 1 32 MET H 5.500 . 5.500 4.739 4.569 5.097 . 0 0 "[ . 1 . ]" 1
118 1 25 ALA HA 1 28 LEU QD . . 5.110 2.427 2.254 2.659 . 0 0 "[ . 1 . ]" 1
119 1 28 LEU QD 1 44 VAL MG1 . . 2.910 2.210 2.153 2.279 . 0 0 "[ . 1 . ]" 1
120 1 25 ALA MB 1 28 LEU HG 3.900 . 3.900 4.224 3.990 4.477 0.577 10 4 "[ * . * + . -]" 1
121 1 29 ARG HD3 1 44 VAL MG2 4.880 . 4.880 4.354 4.009 5.258 0.378 8 0 "[ . 1 . ]" 1
122 1 29 ARG HD2 1 44 VAL MG2 4.880 . 4.880 4.783 3.934 5.104 0.224 9 0 "[ . 1 . ]" 1
123 1 28 LEU HA 1 31 VAL HB 4.350 . 4.350 4.039 2.681 5.327 0.977 2 2 "[ + . - 1 . ]" 1
124 1 31 VAL HB 1 35 LEU MD1 4.730 . 4.730 4.153 2.463 4.655 . 0 0 "[ . 1 . ]" 1
125 1 32 MET QG 1 39 LEU MD1 5.080 . 5.080 3.300 2.221 4.028 . 0 0 "[ . 1 . ]" 1
126 1 32 MET QG 1 39 LEU MD2 5.080 . 5.080 2.728 2.172 3.992 . 0 0 "[ . 1 . ]" 1
127 1 32 MET QG 1 39 LEU HG 5.500 . 5.500 4.609 2.288 5.346 . 0 0 "[ . 1 . ]" 1
128 1 28 LEU HB3 1 32 MET QG . . 3.640 3.189 2.865 3.639 . 0 0 "[ . 1 . ]" 1
129 1 33 THR HA 1 33 THR MG 3.450 . 3.450 2.351 2.325 2.452 . 0 0 "[ . 1 . ]" 1
130 1 33 THR HB 1 34 ASN H 3.930 . 3.930 2.549 2.455 2.660 . 0 0 "[ . 1 . ]" 1
131 1 33 THR H 1 34 ASN HB2 5.500 . 5.500 4.931 4.542 5.089 . 0 0 "[ . 1 . ]" 1
132 1 32 MET HB2 1 35 LEU MD1 5.500 . 5.500 4.708 4.625 4.852 . 0 0 "[ . 1 . ]" 1
133 1 32 MET HB3 1 35 LEU MD1 5.500 . 5.500 4.384 4.198 4.625 . 0 0 "[ . 1 . ]" 1
134 1 35 LEU HA 1 35 LEU MD2 3.450 . 3.450 2.210 2.145 2.254 . 0 0 "[ . 1 . ]" 1
135 1 35 LEU H 1 35 LEU MD1 . . 4.050 3.399 3.251 3.610 . 0 0 "[ . 1 . ]" 1
136 1 65 VAL HB 1 66 GLN H 3.880 . 3.880 2.215 2.092 2.283 . 0 0 "[ . 1 . ]" 1
137 1 65 VAL HB 1 67 MET H 5.310 . 5.310 5.059 4.342 5.405 0.095 8 0 "[ . 1 . ]" 1
138 1 53 ILE H 1 53 ILE HG13 3.990 . 3.990 2.770 2.327 3.668 . 0 0 "[ . 1 . ]" 1
139 1 49 ARG HB2 1 49 ARG HG3 2.890 . 2.890 2.335 2.306 2.344 . 0 0 "[ . 1 . ]" 1
140 1 29 ARG H 1 44 VAL MG2 5.500 . 5.500 3.150 2.726 3.541 . 0 0 "[ . 1 . ]" 1
141 1 44 VAL H 1 44 VAL MG2 3.360 . 3.360 2.280 2.091 2.454 . 0 0 "[ . 1 . ]" 1
142 1 44 VAL HA 1 44 VAL MG2 3.450 . 3.450 2.273 2.212 2.360 . 0 0 "[ . 1 . ]" 1
143 1 29 ARG HB3 1 44 VAL MG2 3.550 . 3.550 2.305 2.218 2.432 . 0 0 "[ . 1 . ]" 1
144 1 39 LEU HG 1 44 VAL MG2 4.760 . 4.760 3.907 2.625 4.577 . 0 0 "[ . 1 . ]" 1
145 1 40 THR HA 1 40 THR MG 3.620 . 3.620 2.275 2.217 2.361 . 0 0 "[ . 1 . ]" 1
146 1 41 ASP HB2 1 42 GLU HG2 5.500 . 5.500 4.847 4.331 5.673 0.173 5 0 "[ . 1 . ]" 1
147 1 41 ASP HB2 1 42 GLU HG3 5.500 . 5.500 3.782 3.274 4.782 . 0 0 "[ . 1 . ]" 1
148 1 42 GLU HB2 1 43 GLU H 3.840 . 3.840 2.758 2.647 2.891 . 0 0 "[ . 1 . ]" 1
149 1 42 GLU HB3 1 43 GLU H 3.840 . 3.840 3.792 3.646 3.966 0.126 3 0 "[ . 1 . ]" 1
150 1 28 LEU QD 1 44 VAL HA 4.050 . 4.050 3.562 3.418 3.790 . 0 0 "[ . 1 . ]" 1
151 1 44 VAL HA 1 44 VAL MG1 3.250 . 3.250 2.481 2.385 2.558 . 0 0 "[ . 1 . ]" 1
152 1 25 ALA MB 1 44 VAL HB 4.210 . 4.210 4.235 4.056 4.342 0.132 7 0 "[ . 1 . ]" 1
153 1 25 ALA MB 1 44 VAL MG1 3.050 . 3.050 2.169 2.104 2.221 . 0 0 "[ . 1 . ]" 1
154 1 28 LEU HB3 1 44 VAL MG1 3.760 . 3.760 3.214 2.992 3.331 . 0 0 "[ . 1 . ]" 1
155 1 44 VAL MG1 1 45 ASP HB2 4.570 . 4.570 3.725 3.445 3.987 . 0 0 "[ . 1 . ]" 1
156 1 28 LEU HA 1 44 VAL MG1 4.660 . 4.660 4.570 4.511 4.678 0.018 9 0 "[ . 1 . ]" 1
157 1 44 VAL MG1 1 45 ASP HA 4.140 . 4.140 2.978 2.876 3.066 . 0 0 "[ . 1 . ]" 1
158 1 28 LEU H 1 44 VAL MG1 4.990 . 4.990 3.659 3.553 3.747 . 0 0 "[ . 1 . ]" 1
159 1 42 GLU HA 1 45 ASP HB3 3.620 . 3.620 3.240 2.904 3.455 . 0 0 "[ . 1 . ]" 1
160 1 42 GLU HA 1 45 ASP HB2 4.100 . 4.100 4.067 3.855 4.175 0.075 19 0 "[ . 1 . ]" 1
161 1 44 VAL HB 1 45 ASP HB3 5.250 . 5.250 4.767 4.615 4.919 . 0 0 "[ . 1 . ]" 1
162 1 44 VAL HB 1 45 ASP HB2 4.530 . 4.530 4.108 3.958 4.295 . 0 0 "[ . 1 . ]" 1
163 1 45 ASP H 1 45 ASP HB3 3.640 . 3.640 2.694 2.532 2.810 . 0 0 "[ . 1 . ]" 1
164 1 23 ILE MG 1 48 ILE MD 3.010 . 3.010 2.608 2.292 3.008 . 0 0 "[ . 1 . ]" 1
165 1 23 ILE HB 1 48 ILE MD 3.790 . 3.790 3.880 3.675 3.976 0.186 6 0 "[ . 1 . ]" 1
166 1 27 GLU HB2 1 48 ILE MD 4.870 . 4.870 4.831 4.692 5.101 0.231 6 0 "[ . 1 . ]" 1
167 1 25 ALA HA 1 48 ILE MD 3.300 . 3.300 2.072 2.014 2.172 . 0 0 "[ . 1 . ]" 1
168 1 45 ASP HA 1 48 ILE MD 4.670 . 4.670 4.406 3.972 4.664 . 0 0 "[ . 1 . ]" 1
169 1 24 SER HA 1 48 ILE MD 4.270 . 4.270 2.633 2.366 3.305 . 0 0 "[ . 1 . ]" 1
170 1 48 ILE MD 1 58 GLN H 5.290 . 5.290 5.274 5.089 5.495 0.205 12 0 "[ . 1 . ]" 1
171 1 48 ILE H 1 48 ILE MD 5.250 . 5.250 3.651 3.470 3.771 . 0 0 "[ . 1 . ]" 1
172 1 48 ILE MD 1 59 VAL H 5.500 . 5.500 3.817 3.118 4.070 . 0 0 "[ . 1 . ]" 1
173 1 51 ALA H 1 67 MET ME 4.070 . 4.070 2.768 1.947 3.995 . 0 0 "[ . 1 . ]" 1
174 1 50 GLU HA 1 67 MET ME 4.440 . 4.440 4.552 4.118 4.789 0.349 12 0 "[ . 1 . ]" 1
175 1 67 MET HB2 1 67 MET ME 5.000 . 5.000 3.688 2.531 4.264 . 0 0 "[ . 1 . ]" 1
176 1 67 MET HB3 1 67 MET ME 5.000 . 5.000 3.282 2.193 4.197 . 0 0 "[ . 1 . ]" 1
177 1 69 THR H 1 69 THR MG 3.970 . 3.970 3.122 2.098 3.977 0.007 15 0 "[ . 1 . ]" 1
178 1 48 ILE MG 1 51 ALA MB 3.720 . 3.720 3.710 3.348 3.994 0.274 6 0 "[ . 1 . ]" 1
179 1 49 ARG HA 1 52 ASP HB2 4.200 . 4.200 3.697 2.661 4.213 0.013 7 0 "[ . 1 . ]" 1
180 1 49 ARG HA 1 52 ASP HB3 4.200 . 4.200 3.342 3.091 3.603 . 0 0 "[ . 1 . ]" 1
181 1 52 ASP H 1 52 ASP HB3 3.490 . 3.490 2.785 2.666 3.029 . 0 0 "[ . 1 . ]" 1
182 1 66 GLN HA 1 66 GLN HG2 3.840 . 3.840 3.139 2.409 3.719 . 0 0 "[ . 1 . ]" 1
183 1 66 GLN HA 1 66 GLN HG3 3.840 . 3.840 2.845 2.340 3.718 . 0 0 "[ . 1 . ]" 1
184 1 53 ILE H 1 53 ILE HB 3.490 . 3.490 2.561 2.503 2.659 . 0 0 "[ . 1 . ]" 1
185 1 52 ASP HA 1 53 ILE HB 4.910 . 4.910 4.664 4.603 4.770 . 0 0 "[ . 1 . ]" 1
186 1 53 ILE HB 1 63 GLU HG2 3.730 . 3.730 3.824 3.721 4.005 0.275 6 0 "[ . 1 . ]" 1
187 1 53 ILE HB 1 53 ILE MD 3.730 . 3.730 2.631 2.320 3.242 . 0 0 "[ . 1 . ]" 1
188 1 53 ILE HA 1 53 ILE MD 4.010 . 4.010 3.264 2.070 3.807 . 0 0 "[ . 1 . ]" 1
189 1 53 ILE MD 1 63 GLU HA 4.440 . 4.440 3.656 3.360 4.358 . 0 0 "[ . 1 . ]" 1
190 1 52 ASP HA 1 53 ILE MD 5.270 . 5.270 4.789 3.788 5.196 . 0 0 "[ . 1 . ]" 1
191 1 53 ILE MG 1 63 GLU HG2 4.540 . 4.540 4.415 4.180 4.547 0.007 9 0 "[ . 1 . ]" 1
192 1 53 ILE MG 1 54 ASP HA 4.550 . 4.550 3.701 3.327 3.896 . 0 0 "[ . 1 . ]" 1
193 1 53 ILE H 1 53 ILE MG 3.980 . 3.980 3.813 3.782 3.849 . 0 0 "[ . 1 . ]" 1
194 1 55 GLY HA3 1 57 GLY H 5.500 . 5.500 4.763 4.064 5.154 . 0 0 "[ . 1 . ]" 1
195 1 55 GLY HA3 1 56 ASP HA 4.780 . 4.780 4.597 4.559 4.610 . 0 0 "[ . 1 . ]" 1
196 1 55 GLY HA2 1 56 ASP HA 4.630 . 4.630 4.527 4.456 4.639 0.009 13 0 "[ . 1 . ]" 1
197 1 22 TYR QD 1 58 GLN HB2 5.500 . 5.500 4.201 3.462 4.891 . 0 0 "[ . 1 . ]" 1
198 1 22 TYR QD 1 58 GLN HB3 5.500 . 5.500 3.296 2.400 4.092 . 0 0 "[ . 1 . ]" 1
199 1 59 VAL MG2 1 64 PHE QE 4.670 . 4.670 3.820 3.254 4.801 0.131 7 0 "[ . 1 . ]" 1
200 1 52 ASP HA 1 59 VAL MG2 4.690 . 4.690 3.537 2.245 4.574 . 0 0 "[ . 1 . ]" 1
201 1 23 ILE HB 1 59 VAL MG2 4.080 . 4.080 2.926 2.229 4.140 0.060 7 0 "[ . 1 . ]" 1
202 1 61 TYR HA 1 61 TYR QD 3.800 . 3.800 2.472 2.296 3.062 . 0 0 "[ . 1 . ]" 1
203 1 12 PHE QD 1 61 TYR HA 4.630 . 4.630 3.851 3.244 4.221 . 0 0 "[ . 1 . ]" 1
204 1 61 TYR HA 1 61 TYR QE 4.660 . 4.660 4.572 4.461 4.643 . 0 0 "[ . 1 . ]" 1
205 1 61 TYR H 1 61 TYR HB3 3.710 . 3.710 3.594 3.543 3.632 . 0 0 "[ . 1 . ]" 1
206 1 66 GLN HB2 1 67 MET H 4.740 . 4.740 2.900 2.010 4.130 . 0 0 "[ . 1 . ]" 1
207 1 53 ILE H 1 63 GLU HG3 5.500 . 5.500 5.160 4.931 5.326 . 0 0 "[ . 1 . ]" 1
208 1 61 TYR H 1 63 GLU HG3 5.500 . 5.500 5.453 5.222 5.608 0.108 3 0 "[ . 1 . ]" 1
209 1 53 ILE H 1 63 GLU HG2 3.900 . 3.900 3.973 3.813 4.123 0.223 6 0 "[ . 1 . ]" 1
210 1 52 ASP HA 1 63 GLU HG2 5.500 . 5.500 4.832 4.505 5.442 . 0 0 "[ . 1 . ]" 1
211 1 63 GLU HA 1 63 GLU HG3 4.110 . 4.110 2.917 2.806 2.998 . 0 0 "[ . 1 . ]" 1
212 1 63 GLU HA 1 63 GLU HG2 3.510 . 3.510 2.521 2.479 2.587 . 0 0 "[ . 1 . ]" 1
213 1 53 ILE HB 1 63 GLU HG3 4.910 . 4.910 4.948 4.763 5.086 0.176 19 0 "[ . 1 . ]" 1
214 1 53 ILE MD 1 63 GLU HG3 4.840 . 4.840 3.641 3.077 4.781 . 0 0 "[ . 1 . ]" 1
215 1 53 ILE MD 1 63 GLU HG2 4.310 . 4.310 2.444 2.063 3.297 . 0 0 "[ . 1 . ]" 1
216 1 65 VAL HA 1 65 VAL QG . . 3.130 2.107 2.055 2.128 . 0 0 "[ . 1 . ]" 1
217 1 8 ILE MG 1 65 VAL HA 3.820 . 3.820 3.962 3.683 4.084 0.264 3 0 "[ . 1 . ]" 1
218 1 65 VAL HA 1 68 MET ME 4.310 . 4.310 2.595 2.285 3.510 . 0 0 "[ . 1 . ]" 1
219 1 31 VAL HA 1 31 VAL MG1 3.590 . 3.590 2.977 2.313 3.188 . 0 0 "[ . 1 . ]" 1
220 1 31 VAL HA 1 35 LEU HG 4.370 . 4.370 3.876 3.488 4.138 . 0 0 "[ . 1 . ]" 1
221 1 31 VAL HA 1 34 ASN H 4.350 . 4.350 3.383 3.245 3.541 . 0 0 "[ . 1 . ]" 1
222 1 14 VAL H 1 15 PHE HB2 4.740 . 4.740 4.465 4.275 4.556 . 0 0 "[ . 1 . ]" 1
223 1 15 PHE HB3 1 16 ASP H 4.810 . 4.810 2.970 2.460 3.113 . 0 0 "[ . 1 . ]" 1
224 1 15 PHE HB2 1 23 ILE HG13 4.870 . 4.870 4.885 3.512 5.237 0.367 11 0 "[ . 1 . ]" 1
225 1 15 PHE HB3 1 23 ILE HG13 4.910 . 4.910 4.785 2.560 5.066 0.156 13 0 "[ . 1 . ]" 1
226 1 64 PHE QD 1 65 VAL QG . . 3.980 4.221 4.136 4.401 0.421 6 0 "[ . 1 . ]" 1
227 1 61 TYR QD 1 65 VAL QG . . 4.520 4.716 4.291 4.983 0.463 19 0 "[ . 1 . ]" 1
228 1 65 VAL QG 1 66 GLN HA . . 4.260 3.023 2.943 3.135 . 0 0 "[ . 1 . ]" 1
229 1 8 ILE MG 1 65 VAL QG . . 3.030 1.910 1.847 2.045 . 0 0 "[ . 1 . ]" 1
230 1 66 GLN HG2 1 67 MET H 5.500 . 5.500 4.466 2.990 5.479 . 0 0 "[ . 1 . ]" 1
231 1 66 GLN HG3 1 67 MET H 5.500 . 5.500 4.373 3.136 5.303 . 0 0 "[ . 1 . ]" 1
232 1 8 ILE H 1 8 ILE MG 4.600 . 4.600 3.738 3.713 3.760 . 0 0 "[ . 1 . ]" 1
233 1 8 ILE MG 1 11 ALA H 5.300 . 5.300 5.374 5.230 5.462 0.162 15 0 "[ . 1 . ]" 1
234 1 8 ILE MG 1 64 PHE QD 4.350 . 4.350 5.619 5.495 5.801 1.451 9 19 [********+***-******] 1
235 1 8 ILE MG 1 12 PHE QD 3.800 . 3.800 2.123 2.038 2.808 . 0 0 "[ . 1 . ]" 1
236 1 8 ILE MG 1 61 TYR QD 5.460 . 5.460 4.049 2.562 5.508 0.048 7 0 "[ . 1 . ]" 1
237 1 5 GLU HA 1 8 ILE MG 4.870 . 4.870 4.324 4.117 4.440 . 0 0 "[ . 1 . ]" 1
238 1 8 ILE MG 1 12 PHE HB2 4.640 . 4.640 3.579 3.480 3.829 . 0 0 "[ . 1 . ]" 1
239 1 8 ILE MG 1 68 MET ME 3.450 . 3.450 3.057 2.641 3.377 . 0 0 "[ . 1 . ]" 1
240 1 8 ILE MD 1 8 ILE MG 3.240 . 3.240 1.970 1.850 2.058 . 0 0 "[ . 1 . ]" 1
241 1 8 ILE HB 1 8 ILE MD 3.610 . 3.610 2.264 2.226 2.326 . 0 0 "[ . 1 . ]" 1
242 1 8 ILE MD 1 65 VAL HA 4.890 . 4.890 4.707 4.407 4.964 0.074 8 0 "[ . 1 . ]" 1
243 1 5 GLU HA 1 8 ILE MD 3.910 . 3.910 2.296 2.235 2.541 . 0 0 "[ . 1 . ]" 1
244 1 11 ALA MB 1 12 PHE QE 4.450 . 4.450 4.339 3.380 4.647 0.197 11 0 "[ . 1 . ]" 1
245 1 8 ILE MD 1 11 ALA MB 5.500 . 5.500 5.580 5.511 5.635 0.135 16 0 "[ . 1 . ]" 1
246 1 11 ALA MB 1 68 MET ME 4.030 . 4.030 3.932 3.440 4.109 0.079 16 0 "[ . 1 . ]" 1
247 1 7 GLU HG2 1 11 ALA MB 5.500 . 5.500 3.528 2.588 5.668 0.168 9 0 "[ . 1 . ]" 1
248 1 7 GLU HG3 1 11 ALA MB 5.500 . 5.500 3.456 2.572 5.428 . 0 0 "[ . 1 . ]" 1
249 1 39 LEU H 1 39 LEU MD1 5.500 . 5.500 2.850 1.470 4.143 . 0 0 "[ . 1 . ]" 1
250 1 28 LEU H 1 28 LEU QD . . 4.040 2.703 2.519 3.014 . 0 0 "[ . 1 . ]" 1
251 1 28 LEU QD 1 47 MET HB2 4.270 . 4.270 4.019 3.334 4.287 0.017 17 0 "[ . 1 . ]" 1
252 1 28 LEU QD 1 47 MET HB3 4.270 . 4.270 3.361 3.063 4.100 . 0 0 "[ . 1 . ]" 1
253 1 28 LEU H 1 28 LEU HG 5.500 . 5.500 1.919 1.862 2.117 . 0 0 "[ . 1 . ]" 1
254 1 65 VAL QG 1 66 GLN H . . 3.950 2.704 2.649 2.796 . 0 0 "[ . 1 . ]" 1
255 1 14 VAL HA 1 14 VAL MG1 3.540 . 3.540 2.408 2.265 3.212 . 0 0 "[ . 1 . ]" 1
256 1 17 LYS HD2 1 31 VAL MG1 5.050 . 5.050 4.467 2.583 5.231 0.181 16 0 "[ . 1 . ]" 1
257 1 17 LYS HD3 1 31 VAL MG1 5.050 . 5.050 4.641 2.064 5.426 0.376 9 0 "[ . 1 . ]" 1
258 1 11 ALA HA 1 14 VAL MG1 4.410 . 4.410 4.158 2.160 4.418 0.008 2 0 "[ . 1 . ]" 1
259 1 14 VAL HA 1 14 VAL MG2 3.540 . 3.540 2.421 2.258 3.193 . 0 0 "[ . 1 . ]" 1
260 1 62 GLU HA 1 62 GLU HG2 3.880 . 3.880 2.767 2.371 3.571 . 0 0 "[ . 1 . ]" 1
261 1 62 GLU HA 1 62 GLU HG3 3.880 . 3.880 3.109 2.300 3.935 0.055 8 0 "[ . 1 . ]" 1
262 1 7 GLU HG2 1 8 ILE H 5.500 . 5.500 4.066 3.592 4.744 . 0 0 "[ . 1 . ]" 1
263 1 7 GLU HG3 1 8 ILE H 5.500 . 5.500 4.346 3.713 4.821 . 0 0 "[ . 1 . ]" 1
264 1 17 LYS HE2 1 31 VAL HB 5.250 . 5.250 4.619 2.354 5.375 0.125 5 0 "[ . 1 . ]" 1
265 1 17 LYS HE3 1 31 VAL HB 5.250 . 5.250 4.303 2.416 5.374 0.124 8 0 "[ . 1 . ]" 1
266 1 48 ILE MG 1 52 ASP HB2 4.130 . 4.130 2.230 2.020 2.662 . 0 0 "[ . 1 . ]" 1
267 1 8 ILE MD 1 12 PHE QE 5.500 . 5.500 4.352 4.190 4.520 . 0 0 "[ . 1 . ]" 1
268 1 2 THR MG 1 3 ASP H 5.500 . 5.500 3.667 2.191 4.370 . 0 0 "[ . 1 . ]" 1
269 1 4 SER H 1 4 SER HB2 4.010 . 4.010 3.431 2.439 4.062 0.052 4 0 "[ . 1 . ]" 1
270 1 5 GLU H 1 6 GLU H 3.680 . 3.680 2.809 2.688 2.916 . 0 0 "[ . 1 . ]" 1
271 1 5 GLU H 1 5 GLU HG2 5.240 . 5.240 4.509 4.483 4.620 . 0 0 "[ . 1 . ]" 1
272 1 5 GLU H 1 5 GLU HG3 5.240 . 5.240 4.339 4.233 4.446 . 0 0 "[ . 1 . ]" 1
273 1 5 GLU H 1 8 ILE MD 5.500 . 5.500 4.443 3.788 4.638 . 0 0 "[ . 1 . ]" 1
274 1 4 SER HA 1 6 GLU H 4.900 . 4.900 3.549 2.853 4.702 . 0 0 "[ . 1 . ]" 1
275 1 6 GLU H 1 6 GLU HG2 4.770 . 4.770 3.744 2.119 4.631 . 0 0 "[ . 1 . ]" 1
276 1 6 GLU H 1 6 GLU HG3 4.770 . 4.770 3.648 2.245 4.463 . 0 0 "[ . 1 . ]" 1
277 1 6 GLU H 1 6 GLU HB2 3.450 . 3.450 2.472 2.220 3.561 0.111 19 0 "[ . 1 . ]" 1
278 1 6 GLU H 1 6 GLU HB3 3.450 . 3.450 3.055 2.444 3.562 0.112 3 0 "[ . 1 . ]" 1
279 1 10 GLU H 1 11 ALA H 3.620 . 3.620 2.791 2.700 2.874 . 0 0 "[ . 1 . ]" 1
280 1 11 ALA H 1 12 PHE HB2 4.830 . 4.830 5.076 4.968 5.128 0.298 15 0 "[ . 1 . ]" 1
281 1 8 ILE H 1 8 ILE HB 3.560 . 3.560 2.537 2.412 2.637 . 0 0 "[ . 1 . ]" 1
282 1 8 ILE H 1 8 ILE HG13 2.860 . 2.860 1.975 1.827 2.194 . 0 0 "[ . 1 . ]" 1
283 1 11 ALA H 1 11 ALA MB 3.470 . 3.470 2.263 2.189 2.300 . 0 0 "[ . 1 . ]" 1
284 1 8 ILE H 1 8 ILE MD 4.200 . 4.200 3.442 3.366 3.504 . 0 0 "[ . 1 . ]" 1
285 1 8 ILE H 1 9 ARG H 3.390 . 3.390 2.777 2.650 2.850 . 0 0 "[ . 1 . ]" 1
286 1 9 ARG H 1 12 PHE QD 5.500 . 5.500 4.831 4.768 4.967 . 0 0 "[ . 1 . ]" 1
287 1 8 ILE HB 1 9 ARG H 3.230 . 3.230 2.346 2.280 2.473 . 0 0 "[ . 1 . ]" 1
288 1 9 ARG H 1 9 ARG HB2 3.420 . 3.420 2.377 2.304 2.428 . 0 0 "[ . 1 . ]" 1
289 1 8 ILE MG 1 9 ARG H 4.030 . 4.030 3.308 3.093 3.487 . 0 0 "[ . 1 . ]" 1
290 1 8 ILE MD 1 9 ARG H 4.490 . 4.490 4.232 4.153 4.345 . 0 0 "[ . 1 . ]" 1
291 1 9 ARG H 1 10 GLU H 3.900 . 3.900 2.728 2.665 2.763 . 0 0 "[ . 1 . ]" 1
292 1 9 ARG HB2 1 10 GLU H 3.670 . 3.670 2.811 2.725 2.894 . 0 0 "[ . 1 . ]" 1
293 1 8 ILE MG 1 10 GLU H 5.500 . 5.500 4.874 4.706 5.030 . 0 0 "[ . 1 . ]" 1
294 1 11 ALA H 1 12 PHE H 3.400 . 3.400 3.131 3.099 3.174 . 0 0 "[ . 1 . ]" 1
295 1 12 PHE H 1 12 PHE HB3 3.730 . 3.730 3.522 3.427 3.543 . 0 0 "[ . 1 . ]" 1
296 1 11 ALA MB 1 12 PHE H 4.350 . 4.350 2.315 2.227 2.431 . 0 0 "[ . 1 . ]" 1
297 1 12 PHE H 1 13 ARG H 4.350 . 4.350 2.721 2.674 2.875 . 0 0 "[ . 1 . ]" 1
298 1 13 ARG H 1 14 VAL H 3.920 . 3.920 2.763 2.702 2.825 . 0 0 "[ . 1 . ]" 1
299 1 13 ARG H 1 15 PHE H 4.290 . 4.290 4.080 3.773 4.202 . 0 0 "[ . 1 . ]" 1
300 1 12 PHE QD 1 13 ARG H 4.790 . 4.790 4.530 4.233 4.631 . 0 0 "[ . 1 . ]" 1
301 1 10 GLU HA 1 13 ARG H 4.010 . 4.010 3.410 3.209 3.620 . 0 0 "[ . 1 . ]" 1
302 1 12 PHE HB2 1 13 ARG H 3.630 . 3.630 2.813 2.684 2.932 . 0 0 "[ . 1 . ]" 1
303 1 12 PHE HB3 1 13 ARG H 4.150 . 4.150 3.395 2.867 3.503 . 0 0 "[ . 1 . ]" 1
304 1 13 ARG H 1 23 ILE MD 5.500 . 5.500 4.899 4.487 5.241 . 0 0 "[ . 1 . ]" 1
305 1 11 ALA HA 1 14 VAL H 4.540 . 4.540 3.822 3.763 4.065 . 0 0 "[ . 1 . ]" 1
306 1 12 PHE HA 1 14 VAL H 5.210 . 5.210 4.413 4.282 4.591 . 0 0 "[ . 1 . ]" 1
307 1 12 PHE HB2 1 14 VAL H 5.500 . 5.500 5.234 5.094 5.393 . 0 0 "[ . 1 . ]" 1
308 1 13 ARG HD2 1 14 VAL H 5.500 . 5.500 5.174 2.637 5.546 0.046 17 0 "[ . 1 . ]" 1
309 1 13 ARG HD3 1 14 VAL H 5.500 . 5.500 5.337 3.529 5.528 0.028 16 0 "[ . 1 . ]" 1
310 1 12 PHE HB3 1 14 VAL H 5.500 . 5.500 5.482 5.163 5.633 0.133 19 0 "[ . 1 . ]" 1
311 1 14 VAL H 1 14 VAL MG1 4.240 . 4.240 3.487 1.993 3.746 . 0 0 "[ . 1 . ]" 1
312 1 14 VAL H 1 15 PHE H 3.560 . 3.560 2.618 2.394 2.666 . 0 0 "[ . 1 . ]" 1
313 1 11 ALA HA 1 15 PHE H 4.310 . 4.310 4.304 4.168 4.375 0.065 19 0 "[ . 1 . ]" 1
314 1 13 ARG HA 1 15 PHE H 5.500 . 5.500 4.396 3.964 4.556 . 0 0 "[ . 1 . ]" 1
315 1 15 PHE H 1 15 PHE HB3 4.040 . 4.040 3.488 3.003 3.557 . 0 0 "[ . 1 . ]" 1
316 1 15 PHE H 1 15 PHE HB2 3.900 . 3.900 2.205 2.057 2.263 . 0 0 "[ . 1 . ]" 1
317 1 15 PHE H 1 16 ASP HB3 5.500 . 5.500 5.201 4.944 5.322 . 0 0 "[ . 1 . ]" 1
318 1 14 VAL HB 1 15 PHE H 5.500 . 5.500 2.803 2.527 4.098 . 0 0 "[ . 1 . ]" 1
319 1 15 PHE H 1 16 ASP HB2 5.500 . 5.500 5.166 4.893 5.401 . 0 0 "[ . 1 . ]" 1
320 1 14 VAL MG1 1 15 PHE H 5.500 . 5.500 3.389 2.491 4.023 . 0 0 "[ . 1 . ]" 1
321 1 15 PHE H 1 23 ILE MD 4.460 . 4.460 4.341 3.906 4.711 0.251 19 0 "[ . 1 . ]" 1
322 1 15 PHE H 1 16 ASP H 3.800 . 3.800 2.942 2.803 3.037 . 0 0 "[ . 1 . ]" 1
323 1 12 PHE HA 1 16 ASP H 5.080 . 5.080 4.263 4.042 4.748 . 0 0 "[ . 1 . ]" 1
324 1 15 PHE HB2 1 16 ASP H 4.060 . 4.060 2.717 2.581 3.417 . 0 0 "[ . 1 . ]" 1
325 1 16 ASP H 1 16 ASP HB3 3.590 . 3.590 2.731 2.518 2.852 . 0 0 "[ . 1 . ]" 1
326 1 16 ASP H 1 16 ASP HB2 3.590 . 3.590 2.363 2.266 2.552 . 0 0 "[ . 1 . ]" 1
327 1 16 ASP H 1 23 ILE MD 4.770 . 4.770 2.787 2.479 3.421 . 0 0 "[ . 1 . ]" 1
328 1 16 ASP H 1 23 ILE HG13 5.420 . 5.420 5.338 3.449 5.596 0.176 15 0 "[ . 1 . ]" 1
329 1 17 LYS H 1 18 ASP H 4.320 . 4.320 2.925 2.568 2.987 . 0 0 "[ . 1 . ]" 1
330 1 16 ASP HA 1 17 LYS H 3.350 . 3.350 2.256 2.108 2.340 . 0 0 "[ . 1 . ]" 1
331 1 17 LYS H 1 27 GLU HB3 4.340 . 4.340 3.063 2.222 3.561 . 0 0 "[ . 1 . ]" 1
332 1 17 LYS H 1 27 GLU HB2 4.530 . 4.530 4.322 3.921 4.637 0.107 7 0 "[ . 1 . ]" 1
333 1 17 LYS H 1 27 GLU HG3 4.820 . 4.820 4.550 4.212 4.926 0.106 7 0 "[ . 1 . ]" 1
334 1 17 LYS H 1 27 GLU HG2 4.820 . 4.820 3.318 2.715 3.744 . 0 0 "[ . 1 . ]" 1
335 1 17 LYS H 1 17 LYS HB2 3.280 . 3.280 2.233 2.049 2.687 . 0 0 "[ . 1 . ]" 1
336 1 18 ASP H 1 18 ASP HB3 4.060 . 4.060 3.307 2.482 3.763 . 0 0 "[ . 1 . ]" 1
337 1 18 ASP H 1 18 ASP HB2 4.060 . 4.060 2.449 2.290 3.558 . 0 0 "[ . 1 . ]" 1
338 1 17 LYS HB2 1 18 ASP H 4.070 . 4.070 2.782 2.119 3.821 . 0 0 "[ . 1 . ]" 1
339 1 17 LYS HB3 1 18 ASP H 4.310 . 4.310 2.831 2.182 4.500 0.190 18 0 "[ . 1 . ]" 1
340 1 19 GLY H 1 21 GLY H 4.990 . 4.990 4.789 4.301 4.919 . 0 0 "[ . 1 . ]" 1
341 1 18 ASP H 1 19 GLY H 3.060 . 3.060 2.708 2.086 3.042 . 0 0 "[ . 1 . ]" 1
342 1 16 ASP HA 1 19 GLY H 4.360 . 4.360 4.162 3.649 4.666 0.306 18 0 "[ . 1 . ]" 1
343 1 17 LYS HB2 1 19 GLY H 5.500 . 5.500 4.754 4.435 5.409 . 0 0 "[ . 1 . ]" 1
344 1 17 LYS HB3 1 19 GLY H 5.500 . 5.500 4.605 4.308 5.545 0.045 18 0 "[ . 1 . ]" 1
345 1 20 ASN H 1 21 GLY H 3.510 . 3.510 2.521 2.340 2.675 . 0 0 "[ . 1 . ]" 1
346 1 19 GLY H 1 20 ASN H 3.500 . 3.500 3.108 2.658 3.221 . 0 0 "[ . 1 . ]" 1
347 1 20 ASN H 1 20 ASN HB3 3.760 . 3.760 2.994 2.417 3.652 . 0 0 "[ . 1 . ]" 1
348 1 20 ASN H 1 20 ASN HB2 3.760 . 3.760 3.440 2.504 3.779 0.019 17 0 "[ . 1 . ]" 1
349 1 21 GLY H 1 22 TYR H 3.290 . 3.290 2.489 2.245 2.601 . 0 0 "[ . 1 . ]" 1
350 1 21 GLY H 1 22 TYR QD 5.500 . 5.500 4.606 4.274 4.845 . 0 0 "[ . 1 . ]" 1
351 1 22 TYR H 1 22 TYR QD 3.660 . 3.660 3.361 2.553 3.766 0.106 10 0 "[ . 1 . ]" 1
352 1 22 TYR H 1 22 TYR HB2 3.290 . 3.290 2.880 2.801 2.961 . 0 0 "[ . 1 . ]" 1
353 1 22 TYR HB3 1 23 ILE H 4.670 . 4.670 2.416 1.936 2.994 . 0 0 "[ . 1 . ]" 1
354 1 22 TYR QD 1 23 ILE H 4.670 . 4.670 3.652 3.171 4.404 . 0 0 "[ . 1 . ]" 1
355 1 22 TYR HA 1 23 ILE H 3.270 . 3.270 2.509 2.282 2.758 . 0 0 "[ . 1 . ]" 1
356 1 22 TYR H 1 23 ILE H 5.500 . 5.500 4.384 4.329 4.435 . 0 0 "[ . 1 . ]" 1
357 1 23 ILE H 1 23 ILE HB 3.530 . 3.530 2.613 2.347 2.701 . 0 0 "[ . 1 . ]" 1
358 1 23 ILE H 1 23 ILE HG12 3.790 . 3.790 2.722 1.921 3.752 . 0 0 "[ . 1 . ]" 1
359 1 23 ILE H 1 23 ILE HG13 4.340 . 4.340 3.997 3.499 4.176 . 0 0 "[ . 1 . ]" 1
360 1 24 SER H 1 27 GLU HB3 4.230 . 4.230 4.487 4.154 4.679 0.449 17 0 "[ . 1 . ]" 1
361 1 24 SER H 1 27 GLU HB2 3.500 . 3.500 3.181 2.896 3.366 . 0 0 "[ . 1 . ]" 1
362 1 23 ILE HB 1 24 SER H 4.880 . 4.880 4.250 3.970 4.365 . 0 0 "[ . 1 . ]" 1
363 1 23 ILE HG12 1 24 SER H 5.500 . 5.500 5.133 4.955 5.333 . 0 0 "[ . 1 . ]" 1
364 1 24 SER H 1 26 ALA MB 5.500 . 5.500 5.494 5.379 5.621 0.121 6 0 "[ . 1 . ]" 1
365 1 23 ILE MG 1 24 SER H 3.680 . 3.680 2.760 2.551 2.996 . 0 0 "[ . 1 . ]" 1
366 1 23 ILE MD 1 24 SER H 5.500 . 5.500 3.697 3.502 4.492 . 0 0 "[ . 1 . ]" 1
367 1 24 SER H 1 28 LEU QD 5.500 . 5.500 4.253 4.111 4.492 . 0 0 "[ . 1 . ]" 1
368 1 23 ILE HG13 1 24 SER H 5.500 . 5.500 5.448 4.186 5.628 0.128 11 0 "[ . 1 . ]" 1
369 1 24 SER HA 1 25 ALA H 3.230 . 3.230 2.365 2.295 2.471 . 0 0 "[ . 1 . ]" 1
370 1 25 ALA H 1 27 GLU HB2 5.500 . 5.500 5.543 5.407 5.617 0.117 19 0 "[ . 1 . ]" 1
371 1 25 ALA H 1 25 ALA MB 3.050 . 3.050 2.106 2.034 2.194 . 0 0 "[ . 1 . ]" 1
372 1 25 ALA H 1 48 ILE MD 4.140 . 4.140 2.443 2.162 2.962 . 0 0 "[ . 1 . ]" 1
373 1 23 ILE MG 1 25 ALA H 5.500 . 5.500 4.883 4.545 5.011 . 0 0 "[ . 1 . ]" 1
374 1 25 ALA H 1 26 ALA H 3.690 . 3.690 2.658 2.536 2.798 . 0 0 "[ . 1 . ]" 1
375 1 26 ALA H 1 27 GLU H 3.370 . 3.370 2.720 2.665 2.776 . 0 0 "[ . 1 . ]" 1
376 1 24 SER HA 1 26 ALA H 4.530 . 4.530 4.390 4.322 4.500 . 0 0 "[ . 1 . ]" 1
377 1 26 ALA H 1 27 GLU HB2 5.500 . 5.500 4.988 4.855 5.077 . 0 0 "[ . 1 . ]" 1
378 1 26 ALA H 1 28 LEU HG 5.500 . 5.500 4.896 4.675 5.157 . 0 0 "[ . 1 . ]" 1
379 1 26 ALA H 1 48 ILE MD 5.500 . 5.500 4.257 4.133 4.553 . 0 0 "[ . 1 . ]" 1
380 1 25 ALA H 1 27 GLU H 5.470 . 5.470 4.246 4.178 4.321 . 0 0 "[ . 1 . ]" 1
381 1 24 SER H 1 27 GLU H 4.350 . 4.350 4.086 3.890 4.210 . 0 0 "[ . 1 . ]" 1
382 1 27 GLU H 1 27 GLU HB3 3.780 . 3.780 3.567 3.543 3.593 . 0 0 "[ . 1 . ]" 1
383 1 27 GLU H 1 27 GLU HB2 3.220 . 3.220 2.518 2.463 2.565 . 0 0 "[ . 1 . ]" 1
384 1 27 GLU H 1 27 GLU HG3 3.840 . 3.840 1.965 1.898 2.130 . 0 0 "[ . 1 . ]" 1
385 1 27 GLU H 1 27 GLU HG2 3.840 . 3.840 3.258 3.174 3.367 . 0 0 "[ . 1 . ]" 1
386 1 26 ALA MB 1 27 GLU H 3.300 . 3.300 2.658 2.622 2.696 . 0 0 "[ . 1 . ]" 1
387 1 23 ILE MG 1 27 GLU H 5.040 . 5.040 4.863 4.644 5.035 . 0 0 "[ . 1 . ]" 1
388 1 27 GLU H 1 28 LEU HG 5.500 . 5.500 3.884 3.797 4.103 . 0 0 "[ . 1 . ]" 1
389 1 28 LEU H 1 29 ARG H 3.430 . 3.430 2.805 2.748 2.845 . 0 0 "[ . 1 . ]" 1
390 1 27 GLU H 1 28 LEU H 3.640 . 3.640 2.628 2.586 2.651 . 0 0 "[ . 1 . ]" 1
391 1 25 ALA HA 1 28 LEU H 3.730 . 3.730 3.407 3.347 3.503 . 0 0 "[ . 1 . ]" 1
392 1 27 GLU HB3 1 28 LEU H 4.060 . 4.060 3.849 3.766 3.920 . 0 0 "[ . 1 . ]" 1
393 1 27 GLU HB2 1 28 LEU H 3.320 . 3.320 2.757 2.609 2.830 . 0 0 "[ . 1 . ]" 1
394 1 28 LEU H 1 28 LEU HB3 3.750 . 3.750 3.584 3.572 3.595 . 0 0 "[ . 1 . ]" 1
395 1 27 GLU HG2 1 28 LEU H 5.200 . 5.200 4.997 4.934 5.053 . 0 0 "[ . 1 . ]" 1
396 1 28 LEU H 1 28 LEU HB2 3.280 . 3.280 2.616 2.465 2.662 . 0 0 "[ . 1 . ]" 1
397 1 28 LEU H 1 48 ILE MD 4.070 . 4.070 4.262 4.129 4.414 0.344 6 0 "[ . 1 . ]" 1
398 1 24 SER H 1 28 LEU H 5.500 . 5.500 5.065 4.715 5.333 . 0 0 "[ . 1 . ]" 1
399 1 29 ARG H 1 30 HIS H 3.850 . 3.850 2.788 2.698 2.860 . 0 0 "[ . 1 . ]" 1
400 1 29 ARG H 1 29 ARG HB3 2.900 . 2.900 2.629 2.436 2.814 . 0 0 "[ . 1 . ]" 1
401 1 28 LEU HB2 1 29 ARG H 3.730 . 3.730 2.321 2.183 2.453 . 0 0 "[ . 1 . ]" 1
402 1 29 ARG H 1 44 VAL MG1 3.760 . 3.760 2.465 2.264 2.833 . 0 0 "[ . 1 . ]" 1
403 1 28 LEU QD 1 29 ARG H 4.550 . 4.550 3.908 3.837 3.993 . 0 0 "[ . 1 . ]" 1
404 1 27 GLU HB2 1 29 ARG H 5.500 . 5.500 5.400 5.273 5.471 . 0 0 "[ . 1 . ]" 1
405 1 29 ARG HB2 1 30 HIS H 4.330 . 4.330 3.572 3.355 3.725 . 0 0 "[ . 1 . ]" 1
406 1 29 ARG HB3 1 30 HIS H 4.740 . 4.740 3.939 3.786 4.071 . 0 0 "[ . 1 . ]" 1
407 1 29 ARG HG2 1 30 HIS H 4.120 . 4.120 2.436 1.997 2.857 . 0 0 "[ . 1 . ]" 1
408 1 29 ARG HG3 1 30 HIS H 4.120 . 4.120 2.012 1.894 2.227 . 0 0 "[ . 1 . ]" 1
409 1 30 HIS H 1 31 VAL H 3.030 . 3.030 2.784 2.674 2.982 . 0 0 "[ . 1 . ]" 1
410 1 27 GLU HB3 1 31 VAL H 5.330 . 5.330 4.553 4.377 4.900 . 0 0 "[ . 1 . ]" 1
411 1 31 VAL H 1 31 VAL HB 3.540 . 3.540 2.505 2.340 3.619 0.079 8 0 "[ . 1 . ]" 1
412 1 31 VAL H 1 31 VAL MG1 4.240 . 4.240 2.578 1.873 3.747 . 0 0 "[ . 1 . ]" 1
413 1 32 MET H 1 34 ASN H 4.880 . 4.880 4.084 3.996 4.155 . 0 0 "[ . 1 . ]" 1
414 1 32 MET H 1 33 THR HB 4.870 . 4.870 4.912 4.838 4.958 0.088 9 0 "[ . 1 . ]" 1
415 1 32 MET H 1 32 MET QG 3.890 . 3.890 2.271 2.116 2.608 . 0 0 "[ . 1 . ]" 1
416 1 31 VAL MG1 1 32 MET H 4.350 . 4.350 2.166 1.669 3.829 . 0 0 "[ . 1 . ]" 1
417 1 32 MET H 1 35 LEU MD1 4.520 . 4.520 3.643 3.495 3.931 . 0 0 "[ . 1 . ]" 1
418 1 31 VAL MG2 1 32 MET H 4.350 . 4.350 3.542 1.797 3.944 . 0 0 "[ . 1 . ]" 1
419 1 33 THR H 1 33 THR HB 3.970 . 3.970 2.471 2.364 2.498 . 0 0 "[ . 1 . ]" 1
420 1 33 THR H 1 34 ASN HB3 5.500 . 5.500 4.933 4.730 6.031 0.531 9 1 "[ . +1 . ]" 1
421 1 33 THR H 1 33 THR MG 4.310 . 4.310 3.745 3.735 3.755 . 0 0 "[ . 1 . ]" 1
422 1 33 THR H 1 34 ASN H 3.650 . 3.650 2.633 2.600 2.677 . 0 0 "[ . 1 . ]" 1
423 1 34 ASN H 1 35 LEU H 4.620 . 4.620 2.594 2.463 2.659 . 0 0 "[ . 1 . ]" 1
424 1 34 ASN H 1 34 ASN HB2 3.510 . 3.510 2.462 2.294 2.593 . 0 0 "[ . 1 . ]" 1
425 1 34 ASN H 1 34 ASN HB3 3.510 . 3.510 2.627 2.465 3.535 0.025 9 0 "[ . 1 . ]" 1
426 1 34 ASN H 1 35 LEU HG 4.880 . 4.880 4.816 4.612 4.932 0.052 13 0 "[ . 1 . ]" 1
427 1 31 VAL MG1 1 34 ASN H 5.500 . 5.500 4.773 4.490 5.183 . 0 0 "[ . 1 . ]" 1
428 1 32 MET HB2 1 34 ASN H 5.500 . 5.500 4.915 4.846 5.015 . 0 0 "[ . 1 . ]" 1
429 1 32 MET HB3 1 34 ASN H 5.500 . 5.500 5.507 5.309 5.578 0.078 9 0 "[ . 1 . ]" 1
430 1 35 LEU H 1 35 LEU HG 3.110 . 3.110 2.638 2.486 2.746 . 0 0 "[ . 1 . ]" 1
431 1 35 LEU H 1 35 LEU MD2 4.440 . 4.440 3.901 3.763 4.005 . 0 0 "[ . 1 . ]" 1
432 1 34 ASN HA 1 36 GLY H 4.610 . 4.610 4.189 4.107 4.275 . 0 0 "[ . 1 . ]" 1
433 1 33 THR HA 1 36 GLY H 3.840 . 3.840 3.420 3.343 3.504 . 0 0 "[ . 1 . ]" 1
434 1 34 ASN HB2 1 36 GLY H 5.500 . 5.500 5.634 5.041 5.737 0.237 14 0 "[ . 1 . ]" 1
435 1 34 ASN HB3 1 36 GLY H 5.500 . 5.500 4.962 4.878 5.404 . 0 0 "[ . 1 . ]" 1
436 1 35 LEU HB3 1 36 GLY H 4.780 . 4.780 3.516 3.417 3.586 . 0 0 "[ . 1 . ]" 1
437 1 35 LEU HB2 1 36 GLY H 4.780 . 4.780 2.812 2.744 2.899 . 0 0 "[ . 1 . ]" 1
438 1 33 THR MG 1 36 GLY H 5.500 . 5.500 4.491 4.400 4.613 . 0 0 "[ . 1 . ]" 1
439 1 35 LEU MD1 1 36 GLY H 5.500 . 5.500 4.618 4.525 4.689 . 0 0 "[ . 1 . ]" 1
440 1 35 LEU MD2 1 36 GLY H 5.500 . 5.500 4.786 4.665 4.851 . 0 0 "[ . 1 . ]" 1
441 1 32 MET HA 1 37 GLU H 4.150 . 4.150 3.987 3.826 4.176 0.026 7 0 "[ . 1 . ]" 1
442 1 35 LEU MD1 1 37 GLU H 5.500 . 5.500 4.551 4.276 4.730 . 0 0 "[ . 1 . ]" 1
443 1 35 LEU MD2 1 37 GLU H 5.500 . 5.500 5.215 4.846 5.397 . 0 0 "[ . 1 . ]" 1
444 1 38 LYS H 1 38 LYS HD2 5.500 . 5.500 4.566 1.833 5.101 . 0 0 "[ . 1 . ]" 1
445 1 38 LYS H 1 38 LYS HD3 5.500 . 5.500 4.655 2.914 5.489 . 0 0 "[ . 1 . ]" 1
446 1 38 LYS HA 1 39 LEU H 3.210 . 3.210 2.262 2.174 2.640 . 0 0 "[ . 1 . ]" 1
447 1 39 LEU H 1 39 LEU HB3 3.970 . 3.970 3.359 2.519 3.608 . 0 0 "[ . 1 . ]" 1
448 1 39 LEU H 1 39 LEU HB2 3.970 . 3.970 2.595 2.100 3.985 0.015 3 0 "[ . 1 . ]" 1
449 1 39 LEU H 1 44 VAL MG2 5.500 . 5.500 4.977 4.481 5.750 0.250 7 0 "[ . 1 . ]" 1
450 1 39 LEU H 1 39 LEU MD2 5.500 . 5.500 3.736 1.748 4.837 . 0 0 "[ . 1 . ]" 1
451 1 40 THR H 1 40 THR MG 4.200 . 4.200 2.906 2.722 3.859 . 0 0 "[ . 1 . ]" 1
452 1 39 LEU MD1 1 40 THR H 5.500 . 5.500 3.928 2.533 4.259 . 0 0 "[ . 1 . ]" 1
453 1 39 LEU MD2 1 40 THR H 5.500 . 5.500 3.548 2.300 4.189 . 0 0 "[ . 1 . ]" 1
454 1 40 THR HB 1 41 ASP H 3.510 . 3.510 3.420 3.253 3.888 0.378 11 0 "[ . 1 . ]" 1
455 1 41 ASP H 1 41 ASP HB3 3.680 . 3.680 3.351 2.586 3.596 . 0 0 "[ . 1 . ]" 1
456 1 41 ASP H 1 41 ASP HB2 3.680 . 3.680 2.452 2.277 3.591 . 0 0 "[ . 1 . ]" 1
457 1 40 THR MG 1 41 ASP H 4.440 . 4.440 3.798 2.808 3.946 . 0 0 "[ . 1 . ]" 1
458 1 41 ASP H 1 44 VAL MG2 5.500 . 5.500 4.425 4.177 4.718 . 0 0 "[ . 1 . ]" 1
459 1 41 ASP H 1 42 GLU H 2.890 . 2.890 2.760 2.716 2.832 . 0 0 "[ . 1 . ]" 1
460 1 65 VAL H 1 66 GLN H 4.060 . 4.060 3.253 3.224 3.290 . 0 0 "[ . 1 . ]" 1
461 1 64 PHE QD 1 65 VAL H 4.850 . 4.850 3.687 3.573 3.829 . 0 0 "[ . 1 . ]" 1
462 1 40 THR HB 1 42 GLU H 4.740 . 4.740 3.005 2.823 3.397 . 0 0 "[ . 1 . ]" 1
463 1 62 GLU HA 1 65 VAL H 3.940 . 3.940 2.995 2.933 3.069 . 0 0 "[ . 1 . ]" 1
464 1 61 TYR HA 1 65 VAL H 4.080 . 4.080 4.098 3.991 4.211 0.131 19 0 "[ . 1 . ]" 1
465 1 40 THR MG 1 42 GLU H 5.070 . 5.070 4.281 2.394 4.444 . 0 0 "[ . 1 . ]" 1
466 1 65 VAL H 1 65 VAL QG . . 3.130 2.093 1.962 2.220 . 0 0 "[ . 1 . ]" 1
467 1 44 VAL H 1 47 MET H 4.740 . 4.740 4.368 4.317 4.483 . 0 0 "[ . 1 . ]" 1
468 1 44 VAL H 1 44 VAL HB 3.140 . 3.140 2.374 2.265 2.480 . 0 0 "[ . 1 . ]" 1
469 1 45 ASP H 1 45 ASP HB2 3.030 . 3.030 2.351 2.261 2.515 . 0 0 "[ . 1 . ]" 1
470 1 44 VAL HB 1 45 ASP H 2.920 . 2.920 2.150 2.008 2.266 . 0 0 "[ . 1 . ]" 1
471 1 25 ALA MB 1 45 ASP H 4.070 . 4.070 3.735 3.636 3.915 . 0 0 "[ . 1 . ]" 1
472 1 44 VAL MG1 1 45 ASP H 3.430 . 3.430 2.552 2.317 2.715 . 0 0 "[ . 1 . ]" 1
473 1 46 GLU H 1 47 MET H 3.470 . 3.470 2.556 2.472 2.634 . 0 0 "[ . 1 . ]" 1
474 1 44 VAL MG2 1 47 MET H 5.430 . 5.430 4.966 4.843 5.077 . 0 0 "[ . 1 . ]" 1
475 1 45 ASP HB3 1 46 GLU H 3.280 . 3.280 2.531 2.459 2.637 . 0 0 "[ . 1 . ]" 1
476 1 46 GLU H 1 46 GLU HG2 5.170 . 5.170 4.112 2.520 4.673 . 0 0 "[ . 1 . ]" 1
477 1 46 GLU H 1 46 GLU HG3 5.170 . 5.170 4.148 2.484 4.694 . 0 0 "[ . 1 . ]" 1
478 1 45 ASP HA 1 47 MET H 4.920 . 4.920 4.402 4.271 4.546 . 0 0 "[ . 1 . ]" 1
479 1 44 VAL HA 1 47 MET H 4.740 . 4.740 3.295 3.120 3.488 . 0 0 "[ . 1 . ]" 1
480 1 46 GLU HG2 1 47 MET H 5.500 . 5.500 4.331 3.830 5.138 . 0 0 "[ . 1 . ]" 1
481 1 46 GLU HG3 1 47 MET H 5.500 . 5.500 4.728 3.976 5.165 . 0 0 "[ . 1 . ]" 1
482 1 28 LEU QD 1 47 MET H 4.510 . 4.510 5.146 4.980 5.385 0.875 2 18 "[*+*-************** ]" 1
483 1 49 ARG H 1 50 GLU H 3.540 . 3.540 2.908 2.843 2.981 . 0 0 "[ . 1 . ]" 1
484 1 45 ASP HA 1 49 ARG H 5.130 . 5.130 4.434 4.199 4.586 . 0 0 "[ . 1 . ]" 1
485 1 49 ARG H 1 49 ARG HD2 5.500 . 5.500 4.626 4.079 4.886 . 0 0 "[ . 1 . ]" 1
486 1 49 ARG H 1 49 ARG HD3 5.500 . 5.500 4.459 4.095 4.918 . 0 0 "[ . 1 . ]" 1
487 1 49 ARG H 1 49 ARG HG3 3.410 . 3.410 3.334 3.217 3.422 0.012 6 0 "[ . 1 . ]" 1
488 1 49 ARG H 1 49 ARG HB2 3.060 . 3.060 2.378 2.301 2.481 . 0 0 "[ . 1 . ]" 1
489 1 48 ILE MG 1 49 ARG H 4.110 . 4.110 3.094 3.006 3.312 . 0 0 "[ . 1 . ]" 1
490 1 49 ARG HB2 1 50 GLU H 3.930 . 3.930 2.711 2.602 2.799 . 0 0 "[ . 1 . ]" 1
491 1 50 GLU H 1 51 ALA H 3.600 . 3.600 2.460 2.313 2.648 . 0 0 "[ . 1 . ]" 1
492 1 51 ALA H 1 52 ASP HB3 5.300 . 5.300 4.950 4.360 5.324 0.024 13 0 "[ . 1 . ]" 1
493 1 50 GLU HB3 1 51 ALA H 4.590 . 4.590 3.702 3.331 4.289 . 0 0 "[ . 1 . ]" 1
494 1 51 ALA H 1 52 ASP HB2 5.300 . 5.300 4.737 3.607 5.040 . 0 0 "[ . 1 . ]" 1
495 1 50 GLU HB2 1 51 ALA H 4.590 . 4.590 2.826 2.371 3.789 . 0 0 "[ . 1 . ]" 1
496 1 51 ALA H 1 51 ALA MB 3.490 . 3.490 2.164 2.026 2.703 . 0 0 "[ . 1 . ]" 1
497 1 51 ALA H 1 52 ASP H 3.500 . 3.500 2.754 2.275 2.964 . 0 0 "[ . 1 . ]" 1
498 1 49 ARG HA 1 52 ASP H 4.260 . 4.260 4.191 3.595 4.412 0.152 11 0 "[ . 1 . ]" 1
499 1 50 GLU HA 1 52 ASP H 4.670 . 4.670 4.701 3.624 4.941 0.271 16 0 "[ . 1 . ]" 1
500 1 52 ASP H 1 52 ASP HB2 3.490 . 3.490 2.403 2.166 2.726 . 0 0 "[ . 1 . ]" 1
501 1 51 ALA MB 1 52 ASP H 3.860 . 3.860 2.528 2.163 3.666 . 0 0 "[ . 1 . ]" 1
502 1 48 ILE MG 1 52 ASP H 4.410 . 4.410 3.251 2.816 4.399 . 0 0 "[ . 1 . ]" 1
503 1 53 ILE H 1 55 GLY H 5.500 . 5.500 3.617 3.419 4.328 . 0 0 "[ . 1 . ]" 1
504 1 52 ASP HA 1 53 ILE H 3.150 . 3.150 2.140 2.095 2.175 . 0 0 "[ . 1 . ]" 1
505 1 52 ASP HB3 1 53 ILE H 4.240 . 4.240 4.109 3.977 4.266 0.026 6 0 "[ . 1 . ]" 1
506 1 52 ASP HB2 1 53 ILE H 4.240 . 4.240 4.310 4.174 4.500 0.260 1 0 "[ . 1 . ]" 1
507 1 53 ILE H 1 53 ILE HG12 3.990 . 3.990 3.099 2.063 3.657 . 0 0 "[ . 1 . ]" 1
508 1 53 ILE H 1 53 ILE MD 4.710 . 4.710 3.596 2.887 3.844 . 0 0 "[ . 1 . ]" 1
509 1 4 SER H 1 4 SER HB3 4.010 . 4.010 3.216 2.307 4.064 0.054 5 0 "[ . 1 . ]" 1
510 1 3 ASP HB2 1 4 SER H 4.710 . 4.710 3.465 2.053 4.486 . 0 0 "[ . 1 . ]" 1
511 1 3 ASP HB3 1 4 SER H 4.710 . 4.710 3.634 1.925 4.475 . 0 0 "[ . 1 . ]" 1
512 1 53 ILE HB 1 54 ASP H 3.240 . 3.240 2.896 2.673 3.318 0.078 6 0 "[ . 1 . ]" 1
513 1 53 ILE HG13 1 54 ASP H 4.650 . 4.650 4.392 4.092 4.961 0.311 16 0 "[ . 1 . ]" 1
514 1 53 ILE HG12 1 54 ASP H 4.650 . 4.650 4.737 3.869 5.054 0.404 19 0 "[ . 1 . ]" 1
515 1 53 ILE MG 1 54 ASP H 3.860 . 3.860 3.513 1.581 3.876 0.016 13 0 "[ . 1 . ]" 1
516 1 54 ASP H 1 55 GLY H 3.040 . 3.040 2.361 2.078 3.091 0.051 12 0 "[ . 1 . ]" 1
517 1 55 GLY H 1 57 GLY H 4.770 . 4.770 4.679 4.128 4.969 0.199 19 0 "[ . 1 . ]" 1
518 1 53 ILE MG 1 55 GLY H 5.270 . 5.270 4.806 3.874 5.145 . 0 0 "[ . 1 . ]" 1
519 1 53 ILE HB 1 55 GLY H 4.880 . 4.880 4.834 4.555 5.017 0.137 13 0 "[ . 1 . ]" 1
520 1 56 ASP H 1 57 GLY H 3.280 . 3.280 2.327 1.820 3.029 . 0 0 "[ . 1 . ]" 1
521 1 56 ASP H 1 58 GLN H 4.550 . 4.550 3.267 2.950 3.540 . 0 0 "[ . 1 . ]" 1
522 1 55 GLY H 1 56 ASP H 3.290 . 3.290 2.859 2.394 3.158 . 0 0 "[ . 1 . ]" 1
523 1 56 ASP H 1 58 GLN HB2 5.500 . 5.500 5.330 4.623 5.641 0.141 12 0 "[ . 1 . ]" 1
524 1 48 ILE MG 1 56 ASP H 5.500 . 5.500 5.030 4.487 5.583 0.083 13 0 "[ . 1 . ]" 1
525 1 57 GLY H 1 58 GLN HA 5.500 . 5.500 4.982 4.587 5.480 . 0 0 "[ . 1 . ]" 1
526 1 55 GLY HA2 1 57 GLY H 4.410 . 4.410 3.583 3.267 3.885 . 0 0 "[ . 1 . ]" 1
527 1 57 GLY H 1 58 GLN HB2 5.330 . 5.330 4.966 4.545 5.492 0.162 18 0 "[ . 1 . ]" 1
528 1 48 ILE MG 1 57 GLY H 4.630 . 4.630 4.044 3.600 4.587 . 0 0 "[ . 1 . ]" 1
529 1 57 GLY H 1 58 GLN H 3.190 . 3.190 2.394 1.917 2.911 . 0 0 "[ . 1 . ]" 1
530 1 58 GLN H 1 59 VAL H 5.100 . 5.100 4.319 4.148 4.388 . 0 0 "[ . 1 . ]" 1
531 1 56 ASP HA 1 58 GLN H 4.980 . 4.980 4.440 3.946 4.854 . 0 0 "[ . 1 . ]" 1
532 1 55 GLY HA2 1 58 GLN H 5.500 . 5.500 5.316 4.758 5.665 0.165 12 0 "[ . 1 . ]" 1
533 1 58 GLN H 1 58 GLN HB2 3.320 . 3.320 2.734 2.622 2.878 . 0 0 "[ . 1 . ]" 1
534 1 23 ILE H 1 59 VAL H 3.980 . 3.980 2.668 2.426 3.195 . 0 0 "[ . 1 . ]" 1
535 1 22 TYR QD 1 59 VAL H 5.500 . 5.500 4.545 3.925 5.421 . 0 0 "[ . 1 . ]" 1
536 1 58 GLN HA 1 59 VAL H 3.100 . 3.100 2.204 2.112 2.348 . 0 0 "[ . 1 . ]" 1
537 1 23 ILE HA 1 59 VAL H 5.500 . 5.500 4.689 4.509 4.919 . 0 0 "[ . 1 . ]" 1
538 1 22 TYR HB3 1 59 VAL H 4.520 . 4.520 3.740 2.892 4.314 . 0 0 "[ . 1 . ]" 1
539 1 59 VAL H 1 59 VAL HB 3.620 . 3.620 3.383 2.434 3.942 0.322 18 0 "[ . 1 . ]" 1
540 1 48 ILE MG 1 59 VAL H 4.150 . 4.150 3.892 3.123 4.126 . 0 0 "[ . 1 . ]" 1
541 1 23 ILE MD 1 59 VAL H 5.400 . 5.400 5.224 4.016 5.545 0.145 7 0 "[ . 1 . ]" 1
542 1 23 ILE HG13 1 59 VAL H 5.500 . 5.500 5.223 4.929 5.832 0.332 19 0 "[ . 1 . ]" 1
543 1 59 VAL H 1 60 ASN H 5.500 . 5.500 4.390 4.356 4.437 . 0 0 "[ . 1 . ]" 1
544 1 60 ASN H 1 61 TYR H 5.500 . 5.500 4.344 4.298 4.429 . 0 0 "[ . 1 . ]" 1
545 1 22 TYR QD 1 60 ASN H 5.450 . 5.450 4.375 3.653 5.267 . 0 0 "[ . 1 . ]" 1
546 1 59 VAL HA 1 60 ASN H 3.430 . 3.430 2.161 2.096 2.245 . 0 0 "[ . 1 . ]" 1
547 1 60 ASN H 1 63 GLU HA 5.500 . 5.500 5.796 5.603 6.006 0.506 16 1 "[ . 1 .+ ]" 1
548 1 60 ASN H 1 63 GLU HG3 5.040 . 5.040 4.012 3.670 4.385 . 0 0 "[ . 1 . ]" 1
549 1 60 ASN H 1 63 GLU HG2 4.730 . 4.730 4.890 4.747 5.061 0.331 15 0 "[ . 1 . ]" 1
550 1 59 VAL HB 1 60 ASN H 5.500 . 5.500 3.519 2.887 4.323 . 0 0 "[ . 1 . ]" 1
551 1 59 VAL MG2 1 60 ASN H 4.980 . 4.980 3.522 2.484 4.085 . 0 0 "[ . 1 . ]" 1
552 1 10 GLU H 1 12 PHE QD 5.500 . 5.500 5.459 5.093 5.602 0.102 9 0 "[ . 1 . ]" 1
553 1 61 TYR H 1 61 TYR QD 4.400 . 4.400 2.703 1.962 2.982 . 0 0 "[ . 1 . ]" 1
554 1 61 TYR H 1 61 TYR HB2 3.710 . 3.710 2.647 2.320 2.810 . 0 0 "[ . 1 . ]" 1
555 1 10 GLU H 1 11 ALA MB 5.450 . 5.450 4.219 4.160 4.298 . 0 0 "[ . 1 . ]" 1
556 1 61 TYR QD 1 62 GLU H 4.590 . 4.590 3.788 3.598 4.104 . 0 0 "[ . 1 . ]" 1
557 1 62 GLU H 1 63 GLU HA 5.500 . 5.500 5.540 5.480 5.607 0.107 16 0 "[ . 1 . ]" 1
558 1 62 GLU H 1 63 GLU HG3 4.980 . 4.980 4.641 4.536 4.894 . 0 0 "[ . 1 . ]" 1
559 1 63 GLU H 1 65 VAL H 4.640 . 4.640 4.598 4.498 4.728 0.088 16 0 "[ . 1 . ]" 1
560 1 62 GLU H 1 63 GLU H 4.540 . 4.540 3.019 2.929 3.130 . 0 0 "[ . 1 . ]" 1
561 1 53 ILE MD 1 63 GLU H 5.500 . 5.500 4.921 4.486 5.750 0.250 6 0 "[ . 1 . ]" 1
562 1 64 PHE H 1 65 VAL H 3.210 . 3.210 2.477 2.376 2.581 . 0 0 "[ . 1 . ]" 1
563 1 64 PHE H 1 64 PHE QD 4.750 . 4.750 4.189 4.120 4.238 . 0 0 "[ . 1 . ]" 1
564 1 61 TYR HA 1 64 PHE H 3.960 . 3.960 3.985 3.876 4.075 0.115 8 0 "[ . 1 . ]" 1
565 1 63 GLU HG3 1 64 PHE H 4.580 . 4.580 4.373 4.292 4.525 . 0 0 "[ . 1 . ]" 1
566 1 60 ASN H 1 64 PHE H 5.500 . 5.500 4.938 4.583 5.154 . 0 0 "[ . 1 . ]" 1
567 1 66 GLN H 1 67 MET H 4.020 . 4.020 3.159 2.840 3.343 . 0 0 "[ . 1 . ]" 1
568 1 66 GLN H 1 66 GLN HG2 5.240 . 5.240 3.642 1.865 4.665 . 0 0 "[ . 1 . ]" 1
569 1 66 GLN H 1 66 GLN HG3 5.240 . 5.240 3.482 1.963 4.534 . 0 0 "[ . 1 . ]" 1
570 1 66 GLN H 1 66 GLN HB2 4.000 . 4.000 2.468 2.278 2.655 . 0 0 "[ . 1 . ]" 1
571 1 66 GLN H 1 66 GLN HB3 4.000 . 4.000 3.288 2.639 3.627 . 0 0 "[ . 1 . ]" 1
572 1 66 GLN HB3 1 67 MET H 4.740 . 4.740 2.927 1.939 4.023 . 0 0 "[ . 1 . ]" 1
573 1 51 ALA MB 1 67 MET H 5.500 . 5.500 4.141 3.676 4.487 . 0 0 "[ . 1 . ]" 1
574 1 67 MET H 1 68 MET H 4.000 . 4.000 2.801 2.318 3.075 . 0 0 "[ . 1 . ]" 1
575 1 20 ASN HA 1 22 TYR H 4.820 . 4.820 4.663 4.228 4.968 0.148 17 0 "[ . 1 . ]" 1
576 1 68 MET H 1 68 MET HB2 4.020 . 4.020 2.443 2.220 2.984 . 0 0 "[ . 1 . ]" 1
577 1 68 MET H 1 68 MET HB3 4.020 . 4.020 2.807 2.430 3.630 . 0 0 "[ . 1 . ]" 1
578 1 68 MET H 1 68 MET ME 4.270 . 4.270 4.297 3.995 4.515 0.245 15 0 "[ . 1 . ]" 1
579 1 70 ALA MB 1 71 LYS H 4.650 . 4.650 3.103 2.522 3.668 . 0 0 "[ . 1 . ]" 1
580 1 23 ILE HA 1 24 SER H 3.080 . 3.080 2.144 2.117 2.185 . 0 0 "[ . 1 . ]" 1
581 1 3 ASP H 1 3 ASP QB 3.640 . 3.640 2.466 2.236 2.989 . 0 0 "[ . 1 . ]" 1
582 1 3 ASP QB 1 4 SER H 3.920 . 3.920 3.034 1.916 3.988 0.068 19 0 "[ . 1 . ]" 1
583 1 4 SER H 1 4 SER QB 3.250 . 3.250 2.837 2.199 3.474 0.224 6 0 "[ . 1 . ]" 1
584 1 5 GLU H 1 5 GLU QG 4.500 . 4.500 3.936 3.880 4.033 . 0 0 "[ . 1 . ]" 1
585 1 5 GLU HA 1 5 GLU QG 3.440 . 3.440 2.356 2.273 2.524 . 0 0 "[ . 1 . ]" 1
586 1 5 GLU QB 1 5 GLU QG 2.280 . 2.280 2.104 2.045 2.110 . 0 0 "[ . 1 . ]" 1
587 1 5 GLU QG 1 8 ILE MD 3.450 . 3.450 2.839 2.227 3.675 0.225 8 0 "[ . 1 . ]" 1
588 1 5 GLU QG 1 9 ARG QG 3.500 . 3.500 2.638 2.138 3.191 . 0 0 "[ . 1 . ]" 1
589 1 6 GLU H 1 6 GLU QB 2.860 . 2.860 2.297 2.157 2.404 . 0 0 "[ . 1 . ]" 1
590 1 6 GLU QB 1 6 GLU QG 2.340 . 2.340 2.078 2.033 2.109 . 0 0 "[ . 1 . ]" 1
591 1 7 GLU HA 1 7 GLU QG 3.550 . 3.550 2.519 2.300 2.808 . 0 0 "[ . 1 . ]" 1
592 1 7 GLU QB 1 8 ILE H 3.130 . 3.130 2.398 2.258 2.601 . 0 0 "[ . 1 . ]" 1
593 1 7 GLU QB 1 8 ILE HA 4.090 . 4.090 4.030 3.843 4.125 0.035 7 0 "[ . 1 . ]" 1
594 1 7 GLU QB 1 8 ILE HG12 5.020 . 5.020 4.320 4.088 4.686 . 0 0 "[ . 1 . ]" 1
595 1 7 GLU QG 1 8 ILE H 4.850 . 4.850 3.623 3.470 4.193 . 0 0 "[ . 1 . ]" 1
596 1 8 ILE HA 1 65 VAL QG 5.440 . 5.440 4.391 4.128 4.663 . 0 0 "[ . 1 . ]" 1
597 1 8 ILE HG12 1 65 VAL QG 3.600 . 3.600 3.337 2.808 3.854 0.254 11 0 "[ . 1 . ]" 1
598 1 8 ILE MD 1 9 ARG QG 4.990 . 4.990 4.444 4.346 4.608 . 0 0 "[ . 1 . ]" 1
599 1 8 ILE MD 1 65 VAL QG 4.520 . 4.520 2.265 2.063 2.658 . 0 0 "[ . 1 . ]" 1
600 1 9 ARG H 1 9 ARG QG 3.650 . 3.650 2.299 2.207 2.475 . 0 0 "[ . 1 . ]" 1
601 1 9 ARG H 1 10 GLU QB 5.340 . 5.340 4.729 4.683 4.775 . 0 0 "[ . 1 . ]" 1
602 1 9 ARG HA 1 9 ARG QG 3.720 . 3.720 2.328 2.236 2.613 . 0 0 "[ . 1 . ]" 1
603 1 9 ARG HB2 1 10 GLU QB 4.780 . 4.780 4.696 4.594 4.790 0.010 8 0 "[ . 1 . ]" 1
604 1 9 ARG HB2 1 10 GLU QG 3.900 . 3.900 3.338 3.238 3.461 . 0 0 "[ . 1 . ]" 1
605 1 9 ARG QG 1 10 GLU H 5.340 . 5.340 4.219 4.144 4.323 . 0 0 "[ . 1 . ]" 1
606 1 10 GLU H 1 10 GLU QB 3.500 . 3.500 2.355 2.337 2.377 . 0 0 "[ . 1 . ]" 1
607 1 10 GLU H 1 10 GLU QG 3.090 . 3.090 2.358 2.310 2.406 . 0 0 "[ . 1 . ]" 1
608 1 10 GLU HA 1 10 GLU QG 3.570 . 3.570 2.439 2.306 2.805 . 0 0 "[ . 1 . ]" 1
609 1 10 GLU HA 1 14 VAL QG 4.200 . 4.200 3.624 3.185 4.079 . 0 0 "[ . 1 . ]" 1
610 1 10 GLU QB 1 10 GLU QG 2.270 . 2.270 2.088 2.031 2.110 . 0 0 "[ . 1 . ]" 1
611 1 10 GLU QB 1 11 ALA H 3.600 . 3.600 2.042 2.004 2.091 . 0 0 "[ . 1 . ]" 1
612 1 10 GLU QB 1 14 VAL QG 3.710 . 3.710 3.241 2.874 3.553 . 0 0 "[ . 1 . ]" 1
613 1 10 GLU QG 1 11 ALA H 5.340 . 5.340 3.907 3.824 3.950 . 0 0 "[ . 1 . ]" 1
614 1 10 GLU QG 1 14 VAL QG 4.840 . 4.840 4.497 3.947 4.908 0.068 11 0 "[ . 1 . ]" 1
615 1 11 ALA H 1 14 VAL QG 5.260 . 5.260 4.199 3.631 4.409 . 0 0 "[ . 1 . ]" 1
616 1 11 ALA HA 1 14 VAL QG 3.280 . 3.280 3.086 2.106 3.344 0.064 4 0 "[ . 1 . ]" 1
617 1 11 ALA MB 1 14 VAL QG 4.560 . 4.560 4.120 3.317 4.327 . 0 0 "[ . 1 . ]" 1
618 1 12 PHE HB3 1 13 ARG QG 4.610 . 4.610 4.430 4.164 5.217 0.607 11 1 "[ . 1+ . ]" 1
619 1 12 PHE QD 1 13 ARG QD 5.340 . 5.340 6.907 6.643 7.224 1.884 11 19 [******-***+********] 1
620 1 12 PHE QD 1 65 VAL QG 3.950 . 3.950 3.567 3.096 4.136 0.186 15 0 "[ . 1 . ]" 1
621 1 13 ARG H 1 13 ARG QB 2.990 . 2.990 2.213 2.150 2.307 . 0 0 "[ . 1 . ]" 1
622 1 13 ARG H 1 13 ARG QG 3.570 . 3.570 2.688 2.483 2.863 . 0 0 "[ . 1 . ]" 1
623 1 13 ARG H 1 13 ARG QD 3.960 . 3.960 3.965 3.809 4.159 0.199 11 0 "[ . 1 . ]" 1
624 1 13 ARG H 1 14 VAL QG 4.520 . 4.520 4.067 3.470 4.231 . 0 0 "[ . 1 . ]" 1
625 1 13 ARG HA 1 13 ARG QB 2.570 . 2.570 2.471 2.172 2.517 . 0 0 "[ . 1 . ]" 1
626 1 13 ARG HA 1 13 ARG QG 3.150 . 3.150 2.363 2.190 3.423 0.273 11 0 "[ . 1 . ]" 1
627 1 13 ARG HA 1 13 ARG QD 3.630 . 3.630 3.267 2.248 3.913 0.283 16 0 "[ . 1 . ]" 1
628 1 13 ARG HA 1 14 VAL QG 5.440 . 5.440 4.718 4.366 4.807 . 0 0 "[ . 1 . ]" 1
629 1 13 ARG HA 1 16 ASP QB 4.060 . 4.060 3.458 3.087 4.225 0.165 11 0 "[ . 1 . ]" 1
630 1 13 ARG QB 1 13 ARG QD 3.220 . 3.220 2.139 2.066 2.224 . 0 0 "[ . 1 . ]" 1
631 1 13 ARG QB 1 14 VAL H 4.200 . 4.200 2.621 2.502 3.400 . 0 0 "[ . 1 . ]" 1
632 1 14 VAL H 1 14 VAL QG 3.210 . 3.210 2.066 1.719 2.195 . 0 0 "[ . 1 . ]" 1
633 1 14 VAL HA 1 14 VAL QG 3.000 . 3.000 2.118 2.057 2.268 . 0 0 "[ . 1 . ]" 1
634 1 14 VAL QG 1 15 PHE H 4.120 . 4.120 3.028 2.148 3.419 . 0 0 "[ . 1 . ]" 1
635 1 14 VAL QG 1 15 PHE QD 5.440 . 5.440 3.001 2.278 3.711 . 0 0 "[ . 1 . ]" 1
636 1 15 PHE H 1 16 ASP QB 4.700 . 4.700 4.613 4.485 4.720 0.020 15 0 "[ . 1 . ]" 1
637 1 15 PHE QD 1 31 VAL QG 5.440 . 5.440 2.990 2.698 3.382 . 0 0 "[ . 1 . ]" 1
638 1 16 ASP QB 1 18 ASP H 5.340 . 5.340 4.712 3.645 5.053 . 0 0 "[ . 1 . ]" 1
639 1 16 ASP QB 1 19 GLY H 4.340 . 4.340 3.351 2.600 3.723 . 0 0 "[ . 1 . ]" 1
640 1 16 ASP QB 1 19 GLY QA 3.970 . 3.970 2.413 2.143 3.671 . 0 0 "[ . 1 . ]" 1
641 1 16 ASP QB 1 21 GLY H 5.340 . 5.340 3.388 3.011 3.679 . 0 0 "[ . 1 . ]" 1
642 1 17 LYS H 1 17 LYS QD 3.950 . 3.950 3.126 2.378 3.744 . 0 0 "[ . 1 . ]" 1
643 1 17 LYS H 1 31 VAL QG 5.440 . 5.440 4.628 3.633 5.500 0.060 18 0 "[ . 1 . ]" 1
644 1 17 LYS HB2 1 17 LYS QD 2.940 . 2.940 2.294 2.217 2.392 . 0 0 "[ . 1 . ]" 1
645 1 17 LYS HB2 1 27 GLU QG 3.830 . 3.830 2.648 2.325 3.593 . 0 0 "[ . 1 . ]" 1
646 1 17 LYS HB3 1 27 GLU QG 5.340 . 5.340 3.883 2.821 4.702 . 0 0 "[ . 1 . ]" 1
647 1 17 LYS QD 1 18 ASP H 5.340 . 5.340 4.556 4.207 5.593 0.253 18 0 "[ . 1 . ]" 1
648 1 17 LYS QD 1 31 VAL QG 3.460 . 3.460 2.936 1.982 3.449 . 0 0 "[ . 1 . ]" 1
649 1 17 LYS QD 1 32 MET H 5.340 . 5.340 6.071 5.317 7.006 1.666 15 13 "[ ***.***-1 ***+** ]" 1
650 1 17 LYS QE 1 31 VAL HB 4.430 . 4.430 3.785 2.327 4.543 0.113 15 0 "[ . 1 . ]" 1
651 1 17 LYS QE 1 31 VAL QG 4.750 . 4.750 2.822 1.971 4.009 . 0 0 "[ . 1 . ]" 1
652 1 18 ASP H 1 18 ASP QB 3.320 . 3.320 2.324 2.206 2.565 . 0 0 "[ . 1 . ]" 1
653 1 18 ASP H 1 27 GLU QG 5.340 . 5.340 3.746 3.184 4.668 . 0 0 "[ . 1 . ]" 1
654 1 18 ASP QB 1 19 GLY H 4.270 . 4.270 3.454 2.812 3.944 . 0 0 "[ . 1 . ]" 1
655 1 18 ASP QB 1 19 GLY QA 4.760 . 4.760 4.356 4.051 4.728 . 0 0 "[ . 1 . ]" 1
656 1 19 GLY QA 1 21 GLY H 4.280 . 4.280 3.022 2.889 3.232 . 0 0 "[ . 1 . ]" 1
657 1 20 ASN H 1 20 ASN QB 3.140 . 3.140 2.685 2.382 3.026 . 0 0 "[ . 1 . ]" 1
658 1 20 ASN H 1 21 GLY QA 4.650 . 4.650 4.414 4.206 4.575 . 0 0 "[ . 1 . ]" 1
659 1 20 ASN QB 1 22 TYR QD 5.340 . 5.340 3.340 2.840 4.201 . 0 0 "[ . 1 . ]" 1
660 1 21 GLY QA 1 61 TYR QE 4.370 . 4.370 4.277 3.836 4.563 0.193 19 0 "[ . 1 . ]" 1
661 1 23 ILE H 1 59 VAL QG 4.070 . 4.070 3.805 3.448 4.295 0.225 11 0 "[ . 1 . ]" 1
662 1 23 ILE HB 1 59 VAL QG 3.570 . 3.570 2.635 2.070 3.319 . 0 0 "[ . 1 . ]" 1
663 1 23 ILE MG 1 24 SER QB 4.730 . 4.730 4.343 4.153 4.617 . 0 0 "[ . 1 . ]" 1
664 1 23 ILE HG12 1 59 VAL QG 4.120 . 4.120 4.033 3.533 4.456 0.336 14 0 "[ . 1 . ]" 1
665 1 23 ILE MD 1 24 SER QB 5.340 . 5.340 5.286 5.068 5.734 0.394 19 0 "[ . 1 . ]" 1
666 1 23 ILE MD 1 59 VAL QG 4.710 . 4.710 4.508 3.687 4.872 0.162 4 0 "[ . 1 . ]" 1
667 1 24 SER H 1 24 SER QB 3.450 . 3.450 2.376 2.273 2.580 . 0 0 "[ . 1 . ]" 1
668 1 24 SER H 1 27 GLU QG 3.620 . 3.620 3.342 3.127 3.526 . 0 0 "[ . 1 . ]" 1
669 1 24 SER QB 1 25 ALA H 3.430 . 3.430 2.955 2.439 3.357 . 0 0 "[ . 1 . ]" 1
670 1 24 SER QB 1 25 ALA MB 4.490 . 4.490 4.288 3.809 4.604 0.114 19 0 "[ . 1 . ]" 1
671 1 24 SER QB 1 26 ALA H 4.080 . 4.080 3.204 2.586 3.637 . 0 0 "[ . 1 . ]" 1
672 1 24 SER QB 1 26 ALA MB 4.510 . 4.510 3.433 3.052 3.739 . 0 0 "[ . 1 . ]" 1
673 1 24 SER QB 1 27 GLU H 4.560 . 4.560 3.089 2.799 3.869 . 0 0 "[ . 1 . ]" 1
674 1 24 SER QB 1 27 GLU QG 3.610 . 3.610 2.418 2.251 3.427 . 0 0 "[ . 1 . ]" 1
675 1 24 SER QB 1 48 ILE MD 4.550 . 4.550 4.007 3.770 4.396 . 0 0 "[ . 1 . ]" 1
676 1 25 ALA HA 1 27 GLU QG 5.340 . 5.340 5.553 5.482 5.672 0.332 13 0 "[ . 1 . ]" 1
677 1 25 ALA MB 1 29 ARG QD 5.340 . 5.340 4.299 3.966 4.745 . 0 0 "[ . 1 . ]" 1
678 1 26 ALA H 1 27 GLU QG 5.340 . 5.340 3.966 3.863 4.148 . 0 0 "[ . 1 . ]" 1
679 1 26 ALA HA 1 29 ARG QD 3.710 . 3.710 2.757 2.260 3.029 . 0 0 "[ . 1 . ]" 1
680 1 26 ALA MB 1 27 GLU QG 3.980 . 3.980 3.054 2.986 3.164 . 0 0 "[ . 1 . ]" 1
681 1 26 ALA MB 1 29 ARG QD 4.860 . 4.860 3.897 3.268 4.133 . 0 0 "[ . 1 . ]" 1
682 1 27 GLU H 1 27 GLU QG 3.300 . 3.300 1.950 1.886 2.108 . 0 0 "[ . 1 . ]" 1
683 1 27 GLU HA 1 27 GLU QG 3.650 . 3.650 2.408 2.342 2.478 . 0 0 "[ . 1 . ]" 1
684 1 27 GLU HA 1 30 HIS QB 3.480 . 3.480 2.750 2.583 2.952 . 0 0 "[ . 1 . ]" 1
685 1 27 GLU HA 1 31 VAL QG 4.600 . 4.600 3.895 2.826 4.243 . 0 0 "[ . 1 . ]" 1
686 1 27 GLU HB2 1 31 VAL QG 5.440 . 5.440 4.178 3.758 4.426 . 0 0 "[ . 1 . ]" 1
687 1 27 GLU HB3 1 27 GLU QG 2.620 . 2.620 2.344 2.308 2.373 . 0 0 "[ . 1 . ]" 1
688 1 27 GLU HB3 1 31 VAL QG 4.780 . 4.780 3.496 2.534 3.844 . 0 0 "[ . 1 . ]" 1
689 1 27 GLU QG 1 28 LEU H 4.500 . 4.500 3.977 3.896 4.057 . 0 0 "[ . 1 . ]" 1
690 1 28 LEU H 1 29 ARG QD 5.340 . 5.340 5.480 5.317 5.546 0.206 1 0 "[ . 1 . ]" 1
691 1 28 LEU H 1 31 VAL QG 4.990 . 4.990 4.072 3.876 4.357 . 0 0 "[ . 1 . ]" 1
692 1 28 LEU HA 1 31 VAL QG 4.220 . 4.220 2.353 2.108 3.496 . 0 0 "[ . 1 . ]" 1
693 1 28 LEU QD 1 47 MET QB 3.740 . 3.740 3.144 2.976 3.455 . 0 0 "[ . 1 . ]" 1
694 1 28 LEU QD 1 31 VAL QG 3.860 . 3.860 3.029 2.815 3.603 . 0 0 "[ . 1 . ]" 1
695 1 28 LEU QD 1 32 MET QG 5.040 . 5.040 3.554 3.199 4.051 . 0 0 "[ . 1 . ]" 1
696 1 29 ARG H 1 29 ARG QG 3.650 . 3.650 1.912 1.708 2.287 . 0 0 "[ . 1 . ]" 1
697 1 29 ARG H 1 29 ARG QD 4.410 . 4.410 3.638 3.559 3.871 . 0 0 "[ . 1 . ]" 1
698 1 29 ARG H 1 32 MET QG 5.340 . 5.340 4.667 4.406 5.006 . 0 0 "[ . 1 . ]" 1
699 1 29 ARG HA 1 31 VAL QG 5.310 . 5.310 4.687 4.349 5.606 0.296 7 0 "[ . 1 . ]" 1
700 1 29 ARG HB2 1 29 ARG QD 3.160 . 3.160 2.462 2.355 2.838 . 0 0 "[ . 1 . ]" 1
701 1 29 ARG HB3 1 29 ARG QD 3.320 . 3.320 2.395 2.308 2.740 . 0 0 "[ . 1 . ]" 1
702 1 29 ARG QD 1 29 ARG QG 2.360 . 2.360 2.084 2.029 2.102 . 0 0 "[ . 1 . ]" 1
703 1 29 ARG QG 1 30 HIS H 3.530 . 3.530 1.903 1.852 1.955 . 0 0 "[ . 1 . ]" 1
704 1 29 ARG QG 1 30 HIS HA 4.370 . 4.370 3.397 3.104 3.682 . 0 0 "[ . 1 . ]" 1
705 1 29 ARG QD 1 44 VAL MG1 5.070 . 5.070 3.303 3.098 3.931 . 0 0 "[ . 1 . ]" 1
706 1 29 ARG QD 1 44 VAL MG2 4.140 . 4.140 3.984 3.820 4.306 0.166 9 0 "[ . 1 . ]" 1
707 1 30 HIS H 1 30 HIS QB 2.870 . 2.870 2.239 2.150 2.399 . 0 0 "[ . 1 . ]" 1
708 1 30 HIS H 1 31 VAL QG 4.040 . 4.040 4.092 3.650 4.294 0.254 15 0 "[ . 1 . ]" 1
709 1 30 HIS QB 1 31 VAL H 3.710 . 3.710 2.319 2.193 2.557 . 0 0 "[ . 1 . ]" 1
710 1 30 HIS QB 1 31 VAL QG 5.280 . 5.280 3.693 2.677 4.078 . 0 0 "[ . 1 . ]" 1
711 1 31 VAL H 1 31 VAL QG 3.380 . 3.380 2.303 1.760 2.433 . 0 0 "[ . 1 . ]" 1
712 1 31 VAL H 1 34 ASN QB 5.340 . 5.340 4.424 4.348 4.553 . 0 0 "[ . 1 . ]" 1
713 1 31 VAL HA 1 31 VAL QG 3.110 . 3.110 2.217 2.107 2.406 . 0 0 "[ . 1 . ]" 1
714 1 31 VAL HA 1 34 ASN QB 3.420 . 3.420 2.315 2.225 2.387 . 0 0 "[ . 1 . ]" 1
715 1 31 VAL QG 1 32 MET H 3.670 . 3.670 1.943 1.667 3.156 . 0 0 "[ . 1 . ]" 1
716 1 31 VAL QG 1 32 MET QG 4.430 . 4.430 2.424 2.093 3.753 . 0 0 "[ . 1 . ]" 1
717 1 31 VAL QG 1 34 ASN H 4.590 . 4.590 4.248 4.144 4.517 . 0 0 "[ . 1 . ]" 1
718 1 31 VAL QG 1 34 ASN QB 4.100 . 4.100 3.353 3.061 3.805 . 0 0 "[ . 1 . ]" 1
719 1 31 VAL QG 1 35 LEU HG 3.740 . 3.740 2.591 2.320 3.810 0.070 8 0 "[ . 1 . ]" 1
720 1 31 VAL QG 1 35 LEU MD1 3.060 . 3.060 2.026 1.911 2.309 . 0 0 "[ . 1 . ]" 1
721 1 32 MET H 1 32 MET QB 3.040 . 3.040 2.374 2.241 2.451 . 0 0 "[ . 1 . ]" 1
722 1 32 MET H 1 39 LEU QB 5.340 . 5.340 5.559 4.908 6.556 1.216 3 3 "[ + . - 1 . *]" 1
723 1 32 MET HA 1 35 LEU QB 4.300 . 4.300 2.427 2.283 2.621 . 0 0 "[ . 1 . ]" 1
724 1 32 MET QB 1 33 THR H 3.630 . 3.630 2.441 2.346 2.552 . 0 0 "[ . 1 . ]" 1
725 1 32 MET QG 1 33 THR H 5.210 . 5.210 4.083 3.999 4.179 . 0 0 "[ . 1 . ]" 1
726 1 32 MET QG 1 39 LEU QB 4.560 . 4.560 3.555 3.038 4.655 0.095 19 0 "[ . 1 . ]" 1
727 1 32 MET QG 1 39 LEU QD 3.610 . 3.610 2.459 2.158 3.572 . 0 0 "[ . 1 . ]" 1
728 1 32 MET QG 1 44 VAL MG2 4.380 . 4.380 3.819 3.373 4.305 . 0 0 "[ . 1 . ]" 1
729 1 34 ASN H 1 34 ASN QB 3.040 . 3.040 2.241 2.213 2.267 . 0 0 "[ . 1 . ]" 1
730 1 34 ASN H 1 35 LEU QB 5.340 . 5.340 4.394 4.296 4.480 . 0 0 "[ . 1 . ]" 1
731 1 34 ASN QB 1 35 LEU H 3.830 . 3.830 2.562 2.522 2.611 . 0 0 "[ . 1 . ]" 1
732 1 34 ASN QB 1 35 LEU HG 5.340 . 5.340 3.509 3.369 3.695 . 0 0 "[ . 1 . ]" 1
733 1 34 ASN QB 1 35 LEU MD1 5.330 . 5.330 4.434 4.276 4.746 . 0 0 "[ . 1 . ]" 1
734 1 34 ASN QB 1 35 LEU MD2 5.340 . 5.340 4.594 4.328 4.811 . 0 0 "[ . 1 . ]" 1
735 1 35 LEU H 1 35 LEU QB 3.380 . 3.380 2.230 2.187 2.255 . 0 0 "[ . 1 . ]" 1
736 1 35 LEU QB 1 35 LEU MD1 3.140 . 3.140 2.114 2.091 2.126 . 0 0 "[ . 1 . ]" 1
737 1 35 LEU QB 1 36 GLY H 3.940 . 3.940 2.705 2.653 2.781 . 0 0 "[ . 1 . ]" 1
738 1 35 LEU QB 1 37 GLU H 3.650 . 3.650 2.846 2.610 2.986 . 0 0 "[ . 1 . ]" 1
739 1 37 GLU QB 1 39 LEU QD 4.760 . 4.760 2.870 1.974 4.343 . 0 0 "[ . 1 . ]" 1
740 1 39 LEU H 1 39 LEU QB 3.380 . 3.380 2.401 2.075 3.176 . 0 0 "[ . 1 . ]" 1
741 1 39 LEU H 1 39 LEU QD 4.390 . 4.390 2.508 1.469 3.872 . 0 0 "[ . 1 . ]" 1
742 1 39 LEU QB 1 44 VAL H 4.880 . 4.880 4.483 4.074 5.056 0.176 8 0 "[ . 1 . ]" 1
743 1 39 LEU QB 1 44 VAL MG2 3.110 . 3.110 2.652 2.148 3.218 0.108 3 0 "[ . 1 . ]" 1
744 1 39 LEU QD 1 44 VAL H 5.440 . 5.440 4.323 3.273 5.066 . 0 0 "[ . 1 . ]" 1
745 1 39 LEU QD 1 44 VAL MG2 2.720 . 2.720 2.445 1.901 2.902 0.182 9 0 "[ . 1 . ]" 1
746 1 41 ASP H 1 41 ASP QB 3.160 . 3.160 2.345 2.198 2.565 . 0 0 "[ . 1 . ]" 1
747 1 41 ASP H 1 42 GLU QB 5.340 . 5.340 4.779 4.720 4.875 . 0 0 "[ . 1 . ]" 1
748 1 41 ASP H 1 42 GLU QG 5.340 . 5.340 4.145 3.929 4.287 . 0 0 "[ . 1 . ]" 1
749 1 41 ASP QB 1 42 GLU H 3.340 . 3.340 2.648 2.478 3.281 . 0 0 "[ . 1 . ]" 1
750 1 42 GLU H 1 42 GLU QB 2.890 . 2.890 2.454 2.397 2.535 . 0 0 "[ . 1 . ]" 1
751 1 42 GLU H 1 42 GLU QG 3.630 . 3.630 2.031 1.863 2.118 . 0 0 "[ . 1 . ]" 1
752 1 42 GLU QB 1 42 GLU QG 2.330 . 2.330 2.107 2.102 2.113 . 0 0 "[ . 1 . ]" 1
753 1 42 GLU QB 1 43 GLU H 3.130 . 3.130 2.695 2.587 2.818 . 0 0 "[ . 1 . ]" 1
754 1 42 GLU QB 1 46 GLU QB 4.430 . 4.430 4.415 4.202 4.626 0.196 19 0 "[ . 1 . ]" 1
755 1 42 GLU QG 1 43 GLU H 3.910 . 3.910 4.024 3.906 4.092 0.182 14 0 "[ . 1 . ]" 1
756 1 43 GLU H 1 43 GLU QB 3.540 . 3.540 2.338 2.278 2.395 . 0 0 "[ . 1 . ]" 1
757 1 43 GLU H 1 43 GLU QG 4.470 . 4.470 3.150 2.367 4.055 . 0 0 "[ . 1 . ]" 1
758 1 43 GLU H 1 46 GLU QB 5.040 . 5.040 4.662 4.518 4.795 . 0 0 "[ . 1 . ]" 1
759 1 43 GLU HA 1 46 GLU QB 5.340 . 5.340 2.469 2.333 2.671 . 0 0 "[ . 1 . ]" 1
760 1 46 GLU H 1 46 GLU QB 3.050 . 3.050 2.281 2.253 2.309 . 0 0 "[ . 1 . ]" 1
761 1 46 GLU H 1 46 GLU QG 4.500 . 4.500 3.598 2.449 4.077 . 0 0 "[ . 1 . ]" 1
762 1 46 GLU QB 1 47 MET H 3.890 . 3.890 2.729 2.575 2.823 . 0 0 "[ . 1 . ]" 1
763 1 47 MET H 1 47 MET QB 3.240 . 3.240 2.220 2.048 2.425 . 0 0 "[ . 1 . ]" 1
764 1 48 ILE HB 1 59 VAL QG 4.220 . 4.220 4.072 3.845 4.330 0.110 7 0 "[ . 1 . ]" 1
765 1 48 ILE QG 1 48 ILE MG 3.260 . 3.260 2.367 2.339 2.399 . 0 0 "[ . 1 . ]" 1
766 1 48 ILE MG 1 52 ASP QB 3.620 . 3.620 2.203 1.995 2.626 . 0 0 "[ . 1 . ]" 1
767 1 48 ILE MG 1 57 GLY QA 3.880 . 3.880 2.949 2.535 3.336 . 0 0 "[ . 1 . ]" 1
768 1 48 ILE MG 1 59 VAL QG 2.960 . 2.960 1.954 1.844 2.446 . 0 0 "[ . 1 . ]" 1
769 1 48 ILE MD 1 57 GLY QA 5.000 . 5.000 4.242 3.661 4.671 . 0 0 "[ . 1 . ]" 1
770 1 49 ARG H 1 49 ARG QD 4.850 . 4.850 3.998 3.818 4.353 . 0 0 "[ . 1 . ]" 1
771 1 49 ARG H 1 50 GLU QB 5.340 . 5.340 4.994 4.887 5.357 0.017 12 0 "[ . 1 . ]" 1
772 1 49 ARG H 1 50 GLU QG 4.620 . 4.620 4.575 4.083 4.710 0.090 11 0 "[ . 1 . ]" 1
773 1 49 ARG H 1 52 ASP QB 5.340 . 5.340 4.512 4.018 4.728 . 0 0 "[ . 1 . ]" 1
774 1 49 ARG H 1 59 VAL QG 5.440 . 5.440 5.075 4.918 5.490 0.050 7 0 "[ . 1 . ]" 1
775 1 49 ARG HA 1 49 ARG QD 3.280 . 3.280 2.430 2.228 3.381 0.101 1 0 "[ . 1 . ]" 1
776 1 49 ARG HB3 1 49 ARG QD 2.830 . 2.830 2.378 2.217 2.707 . 0 0 "[ . 1 . ]" 1
777 1 50 GLU H 1 50 GLU QB 3.250 . 3.250 2.420 2.342 2.777 . 0 0 "[ . 1 . ]" 1
778 1 50 GLU H 1 50 GLU QG 4.020 . 4.020 2.344 1.897 2.468 . 0 0 "[ . 1 . ]" 1
779 1 50 GLU QB 1 67 MET ME 4.350 . 4.350 2.383 2.051 3.338 . 0 0 "[ . 1 . ]" 1
780 1 51 ALA H 1 52 ASP QB 4.640 . 4.640 4.280 3.444 4.425 . 0 0 "[ . 1 . ]" 1
781 1 51 ALA H 1 67 MET QG 5.340 . 5.340 4.139 3.233 5.357 0.017 11 0 "[ . 1 . ]" 1
782 1 52 ASP H 1 52 ASP QB 2.970 . 2.970 2.258 2.121 2.495 . 0 0 "[ . 1 . ]" 1
783 1 52 ASP H 1 59 VAL QG 5.440 . 5.440 2.984 2.436 4.171 . 0 0 "[ . 1 . ]" 1
784 1 52 ASP HA 1 59 VAL QG 4.130 . 4.130 2.320 2.074 2.832 . 0 0 "[ . 1 . ]" 1
785 1 52 ASP QB 1 53 ILE H 3.690 . 3.690 3.740 3.646 3.883 0.193 6 0 "[ . 1 . ]" 1
786 1 52 ASP QB 1 57 GLY H 4.520 . 4.520 3.978 3.164 4.555 0.035 7 0 "[ . 1 . ]" 1
787 1 52 ASP QB 1 58 GLN H 5.340 . 5.340 4.467 3.897 5.159 . 0 0 "[ . 1 . ]" 1
788 1 52 ASP QB 1 59 VAL QG 4.390 . 4.390 2.448 2.106 3.290 . 0 0 "[ . 1 . ]" 1
789 1 53 ILE H 1 53 ILE QG 3.390 . 3.390 2.283 2.052 2.458 . 0 0 "[ . 1 . ]" 1
790 1 53 ILE H 1 63 GLU QB 4.110 . 4.110 3.719 3.456 3.915 . 0 0 "[ . 1 . ]" 1
791 1 53 ILE HA 1 53 ILE QG 3.380 . 3.380 2.568 2.354 3.075 . 0 0 "[ . 1 . ]" 1
792 1 53 ILE QG 1 53 ILE MG 3.180 . 3.180 2.295 2.209 2.425 . 0 0 "[ . 1 . ]" 1
793 1 53 ILE MG 1 54 ASP QB 5.340 . 5.340 4.403 2.677 4.931 . 0 0 "[ . 1 . ]" 1
794 1 53 ILE QG 1 55 GLY H 5.340 . 5.340 5.243 5.164 5.320 . 0 0 "[ . 1 . ]" 1
795 1 53 ILE QG 1 63 GLU HA 3.800 . 3.800 3.898 3.695 4.061 0.261 7 0 "[ . 1 . ]" 1
796 1 53 ILE QG 1 63 GLU HG2 3.510 . 3.510 2.247 2.023 2.388 . 0 0 "[ . 1 . ]" 1
797 1 53 ILE QG 1 63 GLU HG3 3.970 . 3.970 3.758 3.190 3.997 0.027 14 0 "[ . 1 . ]" 1
798 1 53 ILE MD 1 63 GLU QB 4.380 . 4.380 3.763 3.664 4.218 . 0 0 "[ . 1 . ]" 1
799 1 54 ASP H 1 54 ASP QB 3.620 . 3.620 2.430 2.303 3.176 . 0 0 "[ . 1 . ]" 1
800 1 54 ASP QB 1 56 ASP H 3.830 . 3.830 3.306 2.618 3.688 . 0 0 "[ . 1 . ]" 1
801 1 54 ASP QB 1 56 ASP QB 3.090 . 3.090 3.036 2.847 3.197 0.107 11 0 "[ . 1 . ]" 1
802 1 55 GLY HA2 1 56 ASP QB 5.340 . 5.340 4.970 4.803 5.181 . 0 0 "[ . 1 . ]" 1
803 1 56 ASP H 1 56 ASP QB 3.460 . 3.460 2.877 2.741 3.015 . 0 0 "[ . 1 . ]" 1
804 1 56 ASP H 1 57 GLY QA 4.860 . 4.860 4.165 3.872 4.622 . 0 0 "[ . 1 . ]" 1
805 1 56 ASP QB 1 58 GLN H 5.060 . 5.060 3.685 3.490 3.867 . 0 0 "[ . 1 . ]" 1
806 1 56 ASP QB 1 58 GLN HB2 5.340 . 5.340 4.118 3.406 4.666 . 0 0 "[ . 1 . ]" 1
807 1 58 GLN H 1 59 VAL QG 5.100 . 5.100 3.839 3.466 5.064 . 0 0 "[ . 1 . ]" 1
808 1 58 GLN HA 1 59 VAL QG 4.550 . 4.550 3.270 2.893 3.943 . 0 0 "[ . 1 . ]" 1
809 1 59 VAL H 1 59 VAL QG 3.230 . 3.230 2.338 1.916 2.879 . 0 0 "[ . 1 . ]" 1
810 1 59 VAL QG 1 60 ASN H 3.950 . 3.950 2.926 2.455 3.334 . 0 0 "[ . 1 . ]" 1
811 1 59 VAL QG 1 61 TYR H 5.440 . 5.440 4.773 4.548 4.939 . 0 0 "[ . 1 . ]" 1
812 1 59 VAL QG 1 61 TYR HA 4.560 . 4.560 4.317 4.126 4.542 . 0 0 "[ . 1 . ]" 1
813 1 59 VAL QG 1 62 GLU H 5.440 . 5.440 5.280 5.116 5.503 0.063 6 0 "[ . 1 . ]" 1
814 1 59 VAL QG 1 63 GLU HA 4.550 . 4.550 4.288 3.927 4.592 0.042 16 0 "[ . 1 . ]" 1
815 1 59 VAL QG 1 63 GLU HG3 4.610 . 4.610 4.381 3.922 4.677 0.067 13 0 "[ . 1 . ]" 1
816 1 59 VAL QG 1 64 PHE H 3.920 . 3.920 2.960 2.702 3.157 . 0 0 "[ . 1 . ]" 1
817 1 59 VAL QG 1 64 PHE QB 4.060 . 4.060 2.155 1.995 2.437 . 0 0 "[ . 1 . ]" 1
818 1 59 VAL QG 1 64 PHE QD 4.090 . 4.090 2.162 2.008 2.520 . 0 0 "[ . 1 . ]" 1
819 1 59 VAL QG 1 64 PHE QE 3.910 . 3.910 3.492 3.147 3.784 . 0 0 "[ . 1 . ]" 1
820 1 59 VAL QG 1 65 VAL H 4.610 . 4.610 4.620 4.432 4.758 0.148 9 0 "[ . 1 . ]" 1
821 1 60 ASN QB 1 61 TYR H 2.980 . 2.980 1.820 1.696 2.278 . 0 0 "[ . 1 . ]" 1
822 1 61 TYR H 1 61 TYR QB 2.830 . 2.830 2.579 2.292 2.708 . 0 0 "[ . 1 . ]" 1
823 1 61 TYR HA 1 65 VAL QG 4.370 . 4.370 3.785 3.635 3.876 . 0 0 "[ . 1 . ]" 1
824 1 61 TYR QB 1 62 GLU H 3.110 . 3.110 2.277 2.158 2.374 . 0 0 "[ . 1 . ]" 1
825 1 61 TYR QB 1 65 VAL QG 5.170 . 5.170 3.180 3.040 3.372 . 0 0 "[ . 1 . ]" 1
826 1 62 GLU H 1 62 GLU QB 3.210 . 3.210 2.446 2.366 2.831 . 0 0 "[ . 1 . ]" 1
827 1 62 GLU H 1 62 GLU QG 2.970 . 2.970 2.185 1.731 2.909 . 0 0 "[ . 1 . ]" 1
828 1 62 GLU H 1 65 VAL QG 5.200 . 5.200 3.849 3.730 3.943 . 0 0 "[ . 1 . ]" 1
829 1 62 GLU HA 1 62 GLU QG 3.250 . 3.250 2.516 2.265 3.317 0.067 8 0 "[ . 1 . ]" 1
830 1 62 GLU QG 1 65 VAL QG 4.770 . 4.770 3.429 3.040 4.558 . 0 0 "[ . 1 . ]" 1
831 1 63 GLU H 1 63 GLU QB 3.400 . 3.400 2.626 2.526 2.683 . 0 0 "[ . 1 . ]" 1
832 1 63 GLU QB 1 64 PHE H 4.060 . 4.060 2.753 2.696 2.817 . 0 0 "[ . 1 . ]" 1
833 1 64 PHE H 1 65 VAL QG 5.100 . 5.100 3.926 3.803 4.002 . 0 0 "[ . 1 . ]" 1
834 1 65 VAL HA 1 68 MET QB 4.960 . 4.960 2.609 2.375 2.934 . 0 0 "[ . 1 . ]" 1
835 1 65 VAL QG 1 67 MET H 5.440 . 5.440 4.525 3.905 4.847 . 0 0 "[ . 1 . ]" 1
836 1 65 VAL QG 1 68 MET QB 3.990 . 3.990 3.361 3.171 3.563 . 0 0 "[ . 1 . ]" 1
837 1 66 GLN H 1 66 GLN QB 3.340 . 3.340 2.386 2.195 2.591 . 0 0 "[ . 1 . ]" 1
838 1 66 GLN H 1 66 GLN QG 4.470 . 4.470 2.999 1.857 4.095 . 0 0 "[ . 1 . ]" 1
839 1 66 GLN HA 1 66 GLN QG 3.330 . 3.330 2.519 2.298 2.904 . 0 0 "[ . 1 . ]" 1
840 1 67 MET QB 1 67 MET ME 4.280 . 4.280 2.949 2.171 3.693 . 0 0 "[ . 1 . ]" 1
841 1 68 MET H 1 68 MET QB 3.480 . 3.480 2.272 2.159 2.816 . 0 0 "[ . 1 . ]" 1
842 1 68 MET QB 1 68 MET ME 2.970 . 2.970 2.181 2.059 2.330 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 96
_Distance_constraint_stats_list.Viol_total 277.337
_Distance_constraint_stats_list.Viol_max 1.143
_Distance_constraint_stats_list.Viol_rms 0.1969
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0960
_Distance_constraint_stats_list.Viol_average_violations_only 0.1520
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 20 ASN 0.547 0.152 13 0 "[ . 1 . ]"
1 27 GLU 7.961 1.143 16 8 "[ .* *-1** *.+ * ]"
1 52 ASP 2.112 0.226 17 0 "[ . 1 . ]"
1 56 ASP 1.380 0.660 18 1 "[ . 1 . + ]"
1 58 GLN 1.334 0.133 6 0 "[ . 1 . ]"
1 63 GLU 1.262 0.281 6 0 "[ . 1 . ]"
2 1 CA 9.842 1.143 16 8 "[ .* *-1** *.+ * ]"
3 1 CA 4.754 0.660 18 1 "[ . 1 . + ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 ASN OD1 2 1 CA CA 3.000 . 3.000 2.972 2.685 3.152 0.152 13 0 "[ . 1 . ]" 2
2 1 27 GLU OE1 2 1 CA CA 3.000 . 3.000 3.419 3.040 4.143 1.143 16 8 "[ .* *-1** *.+ * ]" 2
3 1 58 GLN OE1 2 1 CA CA 3.000 . 3.000 3.065 2.929 3.133 0.133 6 0 "[ . 1 . ]" 2
4 1 52 ASP OD1 3 1 CA CA 3.000 . 3.000 2.681 2.550 3.107 0.107 12 0 "[ . 1 . ]" 2
5 1 52 ASP OD2 3 1 CA CA 3.000 . 3.000 3.095 2.894 3.226 0.226 17 0 "[ . 1 . ]" 2
6 1 56 ASP OD1 3 1 CA CA 3.000 . 3.000 2.998 2.587 3.660 0.660 18 1 "[ . 1 . + ]" 2
7 1 58 GLN O 3 1 CA CA 3.000 . 3.000 2.604 2.449 2.648 . 0 0 "[ . 1 . ]" 2
8 1 63 GLU OE1 3 1 CA CA 3.000 . 3.000 3.038 2.767 3.281 0.281 6 0 "[ . 1 . ]" 2
stop_
save_
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