NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
501962 |
2kxd   |
17089 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kxd
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 971
_Distance_constraint_stats_list.Viol_count 627
_Distance_constraint_stats_list.Viol_total 86.631
_Distance_constraint_stats_list.Viol_max 0.066
_Distance_constraint_stats_list.Viol_rms 0.0020
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0069
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.054 0.009 5 0 "[ . 1 . 2]"
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PRO 0.273 0.017 4 0 "[ . 1 . 2]"
1 5 PRO 0.007 0.002 15 0 "[ . 1 . 2]"
1 6 LEU 0.058 0.014 13 0 "[ . 1 . 2]"
1 7 PRO 0.006 0.004 16 0 "[ . 1 . 2]"
1 8 PRO 0.027 0.008 1 0 "[ . 1 . 2]"
1 9 TYR 0.042 0.008 1 0 "[ . 1 . 2]"
1 10 SER 0.007 0.007 9 0 "[ . 1 . 2]"
1 11 ALA 0.128 0.011 15 0 "[ . 1 . 2]"
1 12 GLY 0.046 0.007 19 0 "[ . 1 . 2]"
1 13 GLY 0.009 0.006 15 0 "[ . 1 . 2]"
1 14 ARG 0.011 0.010 5 0 "[ . 1 . 2]"
1 15 GLU 0.046 0.010 14 0 "[ . 1 . 2]"
1 16 VAL 0.127 0.047 5 0 "[ . 1 . 2]"
1 17 THR 0.084 0.019 4 0 "[ . 1 . 2]"
1 18 MET 0.156 0.014 12 0 "[ . 1 . 2]"
1 19 LYS 0.013 0.005 6 0 "[ . 1 . 2]"
1 20 LYS 0.112 0.012 16 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.237 0.020 7 0 "[ . 1 . 2]"
1 23 ILE 0.047 0.016 17 0 "[ . 1 . 2]"
1 24 LEU 0.169 0.018 17 0 "[ . 1 . 2]"
1 25 THR 0.059 0.008 13 0 "[ . 1 . 2]"
1 26 LEU 0.087 0.010 17 0 "[ . 1 . 2]"
1 27 LEU 0.110 0.031 17 0 "[ . 1 . 2]"
1 28 ASN 0.228 0.026 18 0 "[ . 1 . 2]"
1 29 SER 0.948 0.066 17 0 "[ . 1 . 2]"
1 30 THR 0.041 0.007 11 0 "[ . 1 . 2]"
1 31 ASN 0.039 0.009 20 0 "[ . 1 . 2]"
1 32 LYS 0.110 0.040 18 0 "[ . 1 . 2]"
1 33 ASP 0.187 0.040 18 0 "[ . 1 . 2]"
1 34 TRP 0.073 0.011 15 0 "[ . 1 . 2]"
1 35 TRP 1.107 0.066 17 0 "[ . 1 . 2]"
1 36 LYS 0.054 0.015 17 0 "[ . 1 . 2]"
1 37 VAL 0.148 0.031 17 0 "[ . 1 . 2]"
1 38 GLU 0.029 0.007 15 0 "[ . 1 . 2]"
1 39 VAL 0.216 0.014 14 0 "[ . 1 . 2]"
1 40 ASN 0.087 0.041 18 0 "[ . 1 . 2]"
1 41 ASP 0.092 0.041 18 0 "[ . 1 . 2]"
1 42 ARG 0.091 0.015 7 0 "[ . 1 . 2]"
1 43 GLN 0.169 0.047 5 0 "[ . 1 . 2]"
1 44 GLY 0.116 0.015 17 0 "[ . 1 . 2]"
1 45 PHE 0.075 0.010 6 0 "[ . 1 . 2]"
1 46 VAL 0.190 0.014 12 0 "[ . 1 . 2]"
1 47 PRO 0.167 0.019 17 0 "[ . 1 . 2]"
1 48 ALA 0.208 0.021 12 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 TYR 0.626 0.022 9 0 "[ . 1 . 2]"
1 51 VAL 0.012 0.005 20 0 "[ . 1 . 2]"
1 52 LYS 0.022 0.006 20 0 "[ . 1 . 2]"
1 53 LYS 0.078 0.025 20 0 "[ . 1 . 2]"
1 54 LEU 0.081 0.030 20 0 "[ . 1 . 2]"
1 55 ASP 0.046 0.030 20 0 "[ . 1 . 2]"
1 56 SER 0.085 0.029 3 0 "[ . 1 . 2]"
1 57 GLY 0.061 0.029 3 0 "[ . 1 . 2]"
1 58 THR 0.028 0.011 20 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LYS 0.001 0.001 20 0 "[ . 1 . 2]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.050 0.008 13 0 "[ . 1 . 2]"
1 63 VAL 0.143 0.025 20 0 "[ . 1 . 2]"
1 64 LEU 0.188 0.020 7 0 "[ . 1 . 2]"
1 65 ALA 0.085 0.014 13 0 "[ . 1 . 2]"
1 66 LEU 0.006 0.006 20 0 "[ . 1 . 2]"
1 67 TYR 0.335 0.022 9 0 "[ . 1 . 2]"
1 68 ASP 0.071 0.011 20 0 "[ . 1 . 2]"
1 69 TYR 0.129 0.011 15 0 "[ . 1 . 2]"
1 70 GLN 0.013 0.006 7 0 "[ . 1 . 2]"
1 71 GLU 0.030 0.019 4 0 "[ . 1 . 2]"
1 72 LYS 0.003 0.003 1 0 "[ . 1 . 2]"
1 73 SER 0.003 0.003 1 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 1 MET H1 1 1 MET QB . . 4.000 2.565 2.094 3.254 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET H1 1 1 MET QG . . 4.240 3.335 1.968 4.217 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 1 MET QG . . 3.990 2.632 2.111 3.420 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HA 1 2 GLY H . . 3.450 2.565 2.319 2.718 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET HA 1 2 GLY QA . . 4.220 4.132 4.023 4.202 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET HA 1 67 TYR HB2 . . 5.270 5.117 5.045 5.136 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET HA 1 67 TYR HB3 . . 3.380 3.373 3.293 3.389 0.009 5 0 "[ . 1 . 2]" 1
8 1 1 MET HA 1 68 ASP H . . 4.310 3.723 3.463 4.045 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET QB 1 2 GLY H . . 4.450 2.431 1.923 3.257 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET QG 1 2 GLY H . . 4.460 2.799 1.920 4.114 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLY QA 1 3 ALA H . . 2.910 2.660 2.453 2.738 . 0 0 "[ . 1 . 2]" 1
12 1 2 GLY QA 1 3 ALA HA . . 4.600 4.063 4.028 4.082 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLY QA 1 3 ALA MB . . 4.620 4.159 4.080 4.193 . 0 0 "[ . 1 . 2]" 1
14 1 3 ALA H 1 3 ALA MB . . 2.940 2.205 2.151 2.257 . 0 0 "[ . 1 . 2]" 1
15 1 3 ALA H 1 67 TYR QD . . 4.390 3.353 3.122 4.263 . 0 0 "[ . 1 . 2]" 1
16 1 3 ALA HA 1 4 PRO HD2 . . 3.750 2.504 2.502 2.505 . 0 0 "[ . 1 . 2]" 1
17 1 3 ALA HA 1 4 PRO HD3 . . 3.250 2.345 2.344 2.346 . 0 0 "[ . 1 . 2]" 1
18 1 3 ALA HA 1 67 TYR QD . . 4.060 3.597 3.329 3.743 . 0 0 "[ . 1 . 2]" 1
19 1 3 ALA MB 1 4 PRO HD2 . . 3.480 1.985 1.947 2.070 . 0 0 "[ . 1 . 2]" 1
20 1 3 ALA MB 1 4 PRO HD3 . . 3.790 3.108 3.087 3.151 . 0 0 "[ . 1 . 2]" 1
21 1 3 ALA MB 1 50 TYR QE . . 3.760 2.609 2.504 2.726 . 0 0 "[ . 1 . 2]" 1
22 1 3 ALA MB 1 67 TYR HB3 . . 4.080 2.626 2.380 2.877 . 0 0 "[ . 1 . 2]" 1
23 1 3 ALA MB 1 67 TYR QD . . 3.630 2.568 2.464 2.862 . 0 0 "[ . 1 . 2]" 1
24 1 4 PRO HA 1 5 PRO HD2 . . 3.330 2.533 2.530 2.535 . 0 0 "[ . 1 . 2]" 1
25 1 4 PRO HA 1 5 PRO HD3 . . 3.070 2.366 2.365 2.367 . 0 0 "[ . 1 . 2]" 1
26 1 4 PRO QB 1 5 PRO HD2 . . 3.630 2.020 2.018 2.025 . 0 0 "[ . 1 . 2]" 1
27 1 4 PRO QB 1 5 PRO HD3 . . 3.970 3.236 3.234 3.240 . 0 0 "[ . 1 . 2]" 1
28 1 4 PRO QB 1 49 ALA MB . . 4.310 3.344 3.164 3.559 . 0 0 "[ . 1 . 2]" 1
29 1 4 PRO HD2 1 50 TYR H . . 5.380 5.370 5.294 5.389 0.009 1 0 "[ . 1 . 2]" 1
30 1 4 PRO HD2 1 50 TYR QD . . 3.760 3.360 3.308 3.404 . 0 0 "[ . 1 . 2]" 1
31 1 4 PRO HD2 1 50 TYR QE . . 3.290 3.298 3.285 3.307 0.017 4 0 "[ . 1 . 2]" 1
32 1 4 PRO HD2 1 67 TYR QD . . 5.090 4.139 3.873 4.287 . 0 0 "[ . 1 . 2]" 1
33 1 4 PRO HD2 1 67 TYR QE . . 3.840 3.836 3.783 3.849 0.009 18 0 "[ . 1 . 2]" 1
34 1 4 PRO HD3 1 49 ALA MB . . 4.710 4.083 3.980 4.245 . 0 0 "[ . 1 . 2]" 1
35 1 4 PRO HD3 1 50 TYR QE . . 4.890 4.850 4.799 4.896 0.006 15 0 "[ . 1 . 2]" 1
36 1 4 PRO QG 1 5 PRO HD2 . . 4.360 3.942 3.941 3.947 . 0 0 "[ . 1 . 2]" 1
37 1 4 PRO QG 1 50 TYR QD . . 4.030 3.287 3.008 3.458 . 0 0 "[ . 1 . 2]" 1
38 1 4 PRO QG 1 50 TYR QE . . 4.930 3.075 2.852 3.249 . 0 0 "[ . 1 . 2]" 1
39 1 4 PRO QG 1 67 TYR QE . . 4.650 4.575 4.330 4.651 0.001 12 0 "[ . 1 . 2]" 1
40 1 4 PRO HG2 1 49 ALA MB . . 3.700 2.136 2.010 2.367 . 0 0 "[ . 1 . 2]" 1
41 1 4 PRO HG3 1 49 ALA MB . . 3.700 2.431 2.280 2.766 . 0 0 "[ . 1 . 2]" 1
42 1 5 PRO HA 1 6 LEU H . . 2.680 2.204 2.183 2.292 . 0 0 "[ . 1 . 2]" 1
43 1 5 PRO QB 1 6 LEU QD . . 5.280 4.893 4.189 5.065 . 0 0 "[ . 1 . 2]" 1
44 1 5 PRO HB2 1 6 LEU H . . 3.860 3.231 2.911 3.322 . 0 0 "[ . 1 . 2]" 1
45 1 5 PRO HB3 1 6 LEU H . . 3.860 3.805 3.615 3.862 0.002 15 0 "[ . 1 . 2]" 1
46 1 6 LEU H 1 6 LEU HB2 . . 3.030 2.212 2.175 2.231 . 0 0 "[ . 1 . 2]" 1
47 1 6 LEU H 1 6 LEU HB3 . . 3.710 3.512 3.489 3.523 . 0 0 "[ . 1 . 2]" 1
48 1 6 LEU H 1 6 LEU MD1 . . 4.320 3.131 2.520 3.782 . 0 0 "[ . 1 . 2]" 1
49 1 6 LEU H 1 6 LEU MD2 . . 4.320 3.990 1.979 4.290 . 0 0 "[ . 1 . 2]" 1
50 1 6 LEU H 1 6 LEU HG . . 3.900 3.153 2.906 3.914 0.014 13 0 "[ . 1 . 2]" 1
51 1 6 LEU HA 1 6 LEU MD1 . . 4.270 3.539 1.966 3.800 . 0 0 "[ . 1 . 2]" 1
52 1 6 LEU HA 1 6 LEU QD . . 3.280 2.594 1.899 2.949 . 0 0 "[ . 1 . 2]" 1
53 1 6 LEU HA 1 6 LEU MD2 . . 4.270 2.739 2.507 3.475 . 0 0 "[ . 1 . 2]" 1
54 1 6 LEU HA 1 6 LEU HG . . 3.940 2.544 2.229 3.703 . 0 0 "[ . 1 . 2]" 1
55 1 6 LEU HA 1 7 PRO HB3 . . 5.000 4.866 4.863 4.870 . 0 0 "[ . 1 . 2]" 1
56 1 6 LEU HA 1 7 PRO HD2 . . 3.580 2.492 2.483 2.508 . 0 0 "[ . 1 . 2]" 1
57 1 6 LEU HA 1 7 PRO HD3 . . 3.120 2.340 2.336 2.348 . 0 0 "[ . 1 . 2]" 1
58 1 6 LEU HB2 1 6 LEU QD . . 2.970 2.050 1.937 2.285 . 0 0 "[ . 1 . 2]" 1
59 1 6 LEU HB2 1 7 PRO HD2 . . 4.480 3.595 3.588 3.597 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU HB3 1 7 PRO HD2 . . 3.710 1.991 1.986 2.015 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU HB3 1 7 PRO HD3 . . 4.400 3.434 3.430 3.452 . 0 0 "[ . 1 . 2]" 1
62 1 6 LEU QD 1 7 PRO HD2 . . 4.180 2.003 1.915 2.354 . 0 0 "[ . 1 . 2]" 1
63 1 6 LEU QD 1 7 PRO HD3 . . 3.830 2.924 2.571 3.667 . 0 0 "[ . 1 . 2]" 1
64 1 6 LEU QD 1 34 TRP HH2 . . 3.920 2.277 1.928 2.602 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU QD 1 47 PRO HD2 . . 5.440 4.583 4.261 5.305 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU QD 1 47 PRO HD3 . . 4.700 3.562 3.260 4.330 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU QD 1 50 TYR QE . . 3.860 3.548 2.622 3.867 0.007 7 0 "[ . 1 . 2]" 1
68 1 6 LEU QD 1 69 TYR HB2 . . 5.440 4.975 4.554 5.285 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU QD 1 69 TYR QD . . 4.130 3.722 3.363 3.983 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU QD 1 69 TYR QE . . 3.000 2.866 2.578 3.003 0.003 5 0 "[ . 1 . 2]" 1
71 1 6 LEU MD1 1 50 TYR QE . . 4.730 4.010 3.135 4.555 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU MD1 1 69 TYR QE . . 3.520 3.074 2.651 3.513 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU MD2 1 50 TYR QE . . 4.730 4.054 2.703 4.734 0.004 15 0 "[ . 1 . 2]" 1
74 1 6 LEU MD2 1 69 TYR QE . . 3.520 3.475 3.239 3.526 0.006 1 0 "[ . 1 . 2]" 1
75 1 7 PRO HA 1 8 PRO HD2 . . 3.060 2.532 2.523 2.535 . 0 0 "[ . 1 . 2]" 1
76 1 7 PRO HA 1 8 PRO HD3 . . 2.780 2.366 2.361 2.368 . 0 0 "[ . 1 . 2]" 1
77 1 7 PRO HB2 1 8 PRO HD2 . . 4.110 2.084 2.077 2.106 . 0 0 "[ . 1 . 2]" 1
78 1 7 PRO HB2 1 9 TYR H . . 4.170 2.895 2.736 2.926 . 0 0 "[ . 1 . 2]" 1
79 1 7 PRO HB2 1 34 TRP HE1 . . 4.170 3.250 2.901 4.165 . 0 0 "[ . 1 . 2]" 1
80 1 7 PRO HB2 1 34 TRP HZ2 . . 4.410 4.219 4.094 4.390 . 0 0 "[ . 1 . 2]" 1
81 1 7 PRO HB3 1 8 PRO HD2 . . 4.330 2.727 2.724 2.738 . 0 0 "[ . 1 . 2]" 1
82 1 7 PRO HB3 1 9 TYR H . . 4.790 4.545 4.406 4.568 . 0 0 "[ . 1 . 2]" 1
83 1 7 PRO HB3 1 34 TRP HE1 . . 5.350 4.210 3.949 5.055 . 0 0 "[ . 1 . 2]" 1
84 1 7 PRO HD2 1 34 TRP HH2 . . 3.840 3.648 2.940 3.844 0.004 16 0 "[ . 1 . 2]" 1
85 1 7 PRO HD2 1 34 TRP HZ2 . . 3.670 3.073 2.870 3.235 . 0 0 "[ . 1 . 2]" 1
86 1 7 PRO HD2 1 47 PRO HB3 . . 4.680 3.913 3.652 4.392 . 0 0 "[ . 1 . 2]" 1
87 1 7 PRO HD3 1 47 PRO HB3 . . 4.230 3.713 3.228 4.162 . 0 0 "[ . 1 . 2]" 1
88 1 7 PRO QG 1 33 ASP QB . . 4.050 2.755 2.477 3.486 . 0 0 "[ . 1 . 2]" 1
89 1 7 PRO QG 1 34 TRP HE1 . . 4.570 2.468 2.159 3.134 . 0 0 "[ . 1 . 2]" 1
90 1 7 PRO QG 1 34 TRP HZ2 . . 4.100 2.038 1.962 2.141 . 0 0 "[ . 1 . 2]" 1
91 1 8 PRO HD2 1 9 TYR QD . . 4.040 3.720 3.539 3.776 . 0 0 "[ . 1 . 2]" 1
92 1 8 PRO HD2 1 9 TYR QE . . 4.780 4.748 4.473 4.788 0.008 1 0 "[ . 1 . 2]" 1
93 1 8 PRO QG 1 9 TYR H . . 4.130 1.958 1.940 2.080 . 0 0 "[ . 1 . 2]" 1
94 1 8 PRO QG 1 9 TYR QD . . 3.510 2.540 2.516 2.657 . 0 0 "[ . 1 . 2]" 1
95 1 8 PRO QG 1 9 TYR QE . . 3.930 2.946 2.922 2.958 . 0 0 "[ . 1 . 2]" 1
96 1 9 TYR H 1 9 TYR QB . . 3.490 2.592 2.586 2.607 . 0 0 "[ . 1 . 2]" 1
97 1 9 TYR H 1 9 TYR QD . . 3.440 2.669 2.658 2.689 . 0 0 "[ . 1 . 2]" 1
98 1 9 TYR H 1 9 TYR QE . . 4.230 4.230 4.227 4.232 0.002 18 0 "[ . 1 . 2]" 1
99 1 9 TYR HA 1 9 TYR QD . . 3.660 2.719 2.694 2.724 . 0 0 "[ . 1 . 2]" 1
100 1 9 TYR HA 1 9 TYR QE . . 4.910 4.713 4.700 4.726 . 0 0 "[ . 1 . 2]" 1
101 1 9 TYR HA 1 10 SER H . . 3.230 2.704 2.652 2.713 . 0 0 "[ . 1 . 2]" 1
102 1 9 TYR QB 1 10 SER H . . 3.480 1.994 1.983 2.050 . 0 0 "[ . 1 . 2]" 1
103 1 9 TYR HB2 1 10 SER H . . 4.330 2.811 2.776 2.923 . 0 0 "[ . 1 . 2]" 1
104 1 9 TYR HB3 1 10 SER H . . 4.330 2.039 2.027 2.093 . 0 0 "[ . 1 . 2]" 1
105 1 10 SER H 1 10 SER HB2 . . 4.030 3.276 2.736 3.937 . 0 0 "[ . 1 . 2]" 1
106 1 10 SER H 1 10 SER HB3 . . 4.030 3.438 2.801 3.966 . 0 0 "[ . 1 . 2]" 1
107 1 10 SER H 1 11 ALA H . . 4.400 4.321 4.158 4.407 0.007 9 0 "[ . 1 . 2]" 1
108 1 10 SER H 1 34 TRP HE1 . . 4.710 4.243 3.937 4.573 . 0 0 "[ . 1 . 2]" 1
109 1 10 SER HA 1 11 ALA H . . 3.020 2.259 2.150 2.453 . 0 0 "[ . 1 . 2]" 1
110 1 10 SER HA 1 34 TRP HE1 . . 4.710 2.676 2.366 2.968 . 0 0 "[ . 1 . 2]" 1
111 1 10 SER HA 1 34 TRP HZ2 . . 3.530 2.749 2.515 3.135 . 0 0 "[ . 1 . 2]" 1
112 1 10 SER QB 1 11 ALA H . . 3.840 3.054 2.620 3.666 . 0 0 "[ . 1 . 2]" 1
113 1 10 SER HB2 1 11 ALA H . . 4.380 3.730 2.870 4.215 . 0 0 "[ . 1 . 2]" 1
114 1 10 SER HB3 1 11 ALA H . . 4.380 3.464 2.661 4.280 . 0 0 "[ . 1 . 2]" 1
115 1 11 ALA H 1 11 ALA MB . . 3.160 2.186 2.046 2.235 . 0 0 "[ . 1 . 2]" 1
116 1 11 ALA H 1 12 GLY H . . 4.570 3.559 2.550 4.577 0.007 19 0 "[ . 1 . 2]" 1
117 1 11 ALA H 1 34 TRP HD1 . . 4.800 4.413 4.034 4.798 . 0 0 "[ . 1 . 2]" 1
118 1 11 ALA H 1 34 TRP HE1 . . 4.610 3.739 3.072 4.065 . 0 0 "[ . 1 . 2]" 1
119 1 11 ALA H 1 34 TRP HE3 . . 5.500 4.741 4.321 5.297 . 0 0 "[ . 1 . 2]" 1
120 1 11 ALA H 1 45 PHE QD . . 5.500 5.075 3.815 5.510 0.010 6 0 "[ . 1 . 2]" 1
121 1 11 ALA HA 1 12 GLY H . . 3.570 3.108 2.162 3.576 0.006 6 0 "[ . 1 . 2]" 1
122 1 11 ALA HA 1 34 TRP HB2 . . 4.780 4.607 3.834 4.791 0.011 15 0 "[ . 1 . 2]" 1
123 1 11 ALA MB 1 12 GLY H . . 3.690 2.401 1.927 3.065 . 0 0 "[ . 1 . 2]" 1
124 1 11 ALA MB 1 13 GLY H . . 3.800 3.448 2.923 3.802 0.002 1 0 "[ . 1 . 2]" 1
125 1 11 ALA MB 1 15 GLU QG . . 4.280 3.984 3.409 4.285 0.005 7 0 "[ . 1 . 2]" 1
126 1 11 ALA MB 1 34 TRP HB2 . . 4.590 3.532 3.082 3.754 . 0 0 "[ . 1 . 2]" 1
127 1 11 ALA MB 1 34 TRP HD1 . . 4.210 4.091 3.155 4.213 0.003 17 0 "[ . 1 . 2]" 1
128 1 11 ALA MB 1 45 PHE HB2 . . 4.290 2.621 1.995 3.690 . 0 0 "[ . 1 . 2]" 1
129 1 11 ALA MB 1 45 PHE QB . . 3.650 2.438 1.902 3.457 . 0 0 "[ . 1 . 2]" 1
130 1 11 ALA MB 1 45 PHE HB3 . . 4.290 2.914 2.342 4.171 . 0 0 "[ . 1 . 2]" 1
131 1 11 ALA MB 1 45 PHE QD . . 4.000 2.698 2.498 2.785 . 0 0 "[ . 1 . 2]" 1
132 1 11 ALA MB 1 45 PHE QE . . 4.430 3.240 2.238 3.764 . 0 0 "[ . 1 . 2]" 1
133 1 12 GLY H 1 13 GLY H . . 3.610 3.169 2.447 3.616 0.006 15 0 "[ . 1 . 2]" 1
134 1 12 GLY QA 1 13 GLY QA . . 4.290 3.667 3.599 3.753 . 0 0 "[ . 1 . 2]" 1
135 1 13 GLY H 1 14 ARG H . . 4.670 4.479 4.199 4.646 . 0 0 "[ . 1 . 2]" 1
136 1 13 GLY QA 1 14 ARG H . . 2.760 2.229 2.137 2.275 . 0 0 "[ . 1 . 2]" 1
137 1 13 GLY HA2 1 14 ARG H . . 3.160 2.593 2.311 3.076 . 0 0 "[ . 1 . 2]" 1
138 1 13 GLY HA2 1 45 PHE QE . . 4.620 4.117 3.629 4.565 . 0 0 "[ . 1 . 2]" 1
139 1 13 GLY HA3 1 14 ARG H . . 3.160 2.569 2.179 2.853 . 0 0 "[ . 1 . 2]" 1
140 1 13 GLY HA3 1 45 PHE QE . . 4.620 2.630 2.002 3.430 . 0 0 "[ . 1 . 2]" 1
141 1 14 ARG H 1 14 ARG QB . . 2.960 2.316 2.124 2.538 . 0 0 "[ . 1 . 2]" 1
142 1 14 ARG H 1 15 GLU H . . 5.230 4.567 4.449 4.646 . 0 0 "[ . 1 . 2]" 1
143 1 14 ARG H 1 45 PHE QE . . 5.060 4.019 2.369 4.933 . 0 0 "[ . 1 . 2]" 1
144 1 14 ARG HA 1 14 ARG QD . . 4.020 2.899 2.040 4.030 0.010 5 0 "[ . 1 . 2]" 1
145 1 14 ARG HA 1 15 GLU H . . 2.780 2.247 2.141 2.376 . 0 0 "[ . 1 . 2]" 1
146 1 14 ARG QB 1 15 GLU H . . 3.600 3.019 2.509 3.585 . 0 0 "[ . 1 . 2]" 1
147 1 14 ARG QD 1 15 GLU H . . 5.090 4.073 2.530 5.091 0.001 17 0 "[ . 1 . 2]" 1
148 1 15 GLU H 1 15 GLU HB2 . . 4.060 2.666 2.547 2.815 . 0 0 "[ . 1 . 2]" 1
149 1 15 GLU H 1 15 GLU HB3 . . 3.860 3.691 3.600 3.830 . 0 0 "[ . 1 . 2]" 1
150 1 15 GLU H 1 15 GLU QG . . 3.340 2.449 1.967 3.208 . 0 0 "[ . 1 . 2]" 1
151 1 15 GLU H 1 16 VAL H . . 4.820 4.462 4.364 4.541 . 0 0 "[ . 1 . 2]" 1
152 1 15 GLU H 1 45 PHE H . . 5.240 4.751 4.299 5.243 0.003 14 0 "[ . 1 . 2]" 1
153 1 15 GLU HA 1 15 GLU QG . . 3.670 2.633 2.505 3.149 . 0 0 "[ . 1 . 2]" 1
154 1 15 GLU HA 1 16 VAL H . . 3.020 2.628 2.529 2.712 . 0 0 "[ . 1 . 2]" 1
155 1 15 GLU HA 1 16 VAL QG . . 4.390 3.111 3.048 3.202 . 0 0 "[ . 1 . 2]" 1
156 1 15 GLU HA 1 45 PHE H . . 3.140 2.215 1.948 2.661 . 0 0 "[ . 1 . 2]" 1
157 1 15 GLU HA 1 45 PHE QB . . 5.180 4.121 3.489 4.788 . 0 0 "[ . 1 . 2]" 1
158 1 15 GLU HB2 1 16 VAL H . . 3.510 2.992 2.862 3.161 . 0 0 "[ . 1 . 2]" 1
159 1 15 GLU HB2 1 16 VAL QG . . 4.790 4.284 4.224 4.344 . 0 0 "[ . 1 . 2]" 1
160 1 15 GLU HB2 1 17 THR H . . 5.500 5.497 5.449 5.510 0.010 14 0 "[ . 1 . 2]" 1
161 1 15 GLU HB2 1 69 TYR QE . . 4.590 4.190 3.572 4.573 . 0 0 "[ . 1 . 2]" 1
162 1 15 GLU HB2 1 71 GLU HA . . 4.350 2.871 2.160 3.832 . 0 0 "[ . 1 . 2]" 1
163 1 15 GLU HB2 1 71 GLU QB . . 3.710 2.471 1.886 3.653 . 0 0 "[ . 1 . 2]" 1
164 1 15 GLU HB3 1 16 VAL H . . 4.370 2.106 1.965 2.268 . 0 0 "[ . 1 . 2]" 1
165 1 15 GLU HB3 1 69 TYR QE . . 3.650 3.317 2.857 3.655 0.005 7 0 "[ . 1 . 2]" 1
166 1 15 GLU QG 1 16 VAL H . . 4.690 3.965 3.781 4.139 . 0 0 "[ . 1 . 2]" 1
167 1 15 GLU QG 1 45 PHE H . . 4.800 3.728 3.050 4.475 . 0 0 "[ . 1 . 2]" 1
168 1 16 VAL H 1 16 VAL HB . . 4.030 3.848 3.809 3.906 . 0 0 "[ . 1 . 2]" 1
169 1 16 VAL H 1 16 VAL QG . . 3.290 2.144 2.001 2.247 . 0 0 "[ . 1 . 2]" 1
170 1 16 VAL H 1 17 THR H . . 4.600 4.278 4.215 4.324 . 0 0 "[ . 1 . 2]" 1
171 1 16 VAL H 1 17 THR HA . . 5.500 4.812 4.735 4.881 . 0 0 "[ . 1 . 2]" 1
172 1 16 VAL H 1 45 PHE H . . 4.630 4.076 3.547 4.625 . 0 0 "[ . 1 . 2]" 1
173 1 16 VAL H 1 46 VAL HA . . 5.500 4.691 4.425 5.104 . 0 0 "[ . 1 . 2]" 1
174 1 16 VAL H 1 46 VAL MG1 . . 3.930 2.664 2.344 3.086 . 0 0 "[ . 1 . 2]" 1
175 1 16 VAL H 1 69 TYR QE . . 4.620 4.375 3.976 4.617 . 0 0 "[ . 1 . 2]" 1
176 1 16 VAL HA 1 16 VAL QG . . 3.140 2.263 2.091 2.342 . 0 0 "[ . 1 . 2]" 1
177 1 16 VAL HA 1 17 THR H . . 2.830 2.170 2.157 2.181 . 0 0 "[ . 1 . 2]" 1
178 1 16 VAL HA 1 17 THR HB . . 4.900 4.864 4.743 4.904 0.004 9 0 "[ . 1 . 2]" 1
179 1 16 VAL HA 1 17 THR HG1 . . 4.580 4.143 3.592 4.572 . 0 0 "[ . 1 . 2]" 1
180 1 16 VAL HB 1 17 THR H . . 3.420 3.132 3.074 3.214 . 0 0 "[ . 1 . 2]" 1
181 1 16 VAL HB 1 39 VAL MG1 . . 3.920 1.967 1.902 2.078 . 0 0 "[ . 1 . 2]" 1
182 1 16 VAL HB 1 39 VAL MG2 . . 4.630 4.364 4.228 4.475 . 0 0 "[ . 1 . 2]" 1
183 1 16 VAL HB 1 44 GLY HA3 . . 5.090 4.691 4.288 5.066 . 0 0 "[ . 1 . 2]" 1
184 1 16 VAL QG 1 17 THR H . . 3.650 3.466 3.428 3.516 . 0 0 "[ . 1 . 2]" 1
185 1 16 VAL QG 1 17 THR HA . . 5.120 4.420 4.305 4.508 . 0 0 "[ . 1 . 2]" 1
186 1 16 VAL QG 1 18 MET HA . . 5.500 4.729 4.444 5.121 . 0 0 "[ . 1 . 2]" 1
187 1 16 VAL QG 1 18 MET QG . . 5.340 3.996 3.696 4.786 . 0 0 "[ . 1 . 2]" 1
188 1 16 VAL QG 1 37 VAL H . . 4.670 3.596 3.384 3.938 . 0 0 "[ . 1 . 2]" 1
189 1 16 VAL QG 1 39 VAL H . . 4.370 2.877 2.616 3.188 . 0 0 "[ . 1 . 2]" 1
190 1 16 VAL QG 1 39 VAL HB . . 4.040 3.743 3.493 3.989 . 0 0 "[ . 1 . 2]" 1
191 1 16 VAL QG 1 39 VAL MG1 . . 3.080 2.075 1.843 2.289 . 0 0 "[ . 1 . 2]" 1
192 1 16 VAL QG 1 39 VAL MG2 . . 4.300 4.081 3.892 4.254 . 0 0 "[ . 1 . 2]" 1
193 1 16 VAL QG 1 42 ARG QB . . 3.630 2.138 1.932 2.502 . 0 0 "[ . 1 . 2]" 1
194 1 16 VAL QG 1 42 ARG QD . . 4.180 3.856 3.122 4.177 . 0 0 "[ . 1 . 2]" 1
195 1 16 VAL QG 1 43 GLN HA . . 4.250 2.650 2.333 3.194 . 0 0 "[ . 1 . 2]" 1
196 1 16 VAL QG 1 43 GLN QB . . 4.570 3.900 3.704 4.277 . 0 0 "[ . 1 . 2]" 1
197 1 16 VAL QG 1 43 GLN HE21 . . 5.020 4.693 4.058 4.975 . 0 0 "[ . 1 . 2]" 1
198 1 16 VAL QG 1 43 GLN QE . . 4.400 4.292 3.868 4.415 0.015 7 0 "[ . 1 . 2]" 1
199 1 16 VAL QG 1 43 GLN HE22 . . 5.020 5.001 4.871 5.067 0.047 5 0 "[ . 1 . 2]" 1
200 1 16 VAL QG 1 44 GLY H . . 3.520 2.447 2.196 2.803 . 0 0 "[ . 1 . 2]" 1
201 1 16 VAL QG 1 44 GLY HA2 . . 3.960 3.201 3.000 3.444 . 0 0 "[ . 1 . 2]" 1
202 1 16 VAL QG 1 44 GLY HA3 . . 3.480 1.968 1.833 2.207 . 0 0 "[ . 1 . 2]" 1
203 1 16 VAL QG 1 45 PHE H . . 4.160 3.458 2.949 3.751 . 0 0 "[ . 1 . 2]" 1
204 1 16 VAL QG 1 45 PHE HA . . 5.160 4.031 3.689 4.324 . 0 0 "[ . 1 . 2]" 1
205 1 16 VAL QG 1 45 PHE QB . . 5.340 4.760 4.508 4.996 . 0 0 "[ . 1 . 2]" 1
206 1 16 VAL QG 1 46 VAL HA . . 5.500 4.465 4.211 4.834 . 0 0 "[ . 1 . 2]" 1
207 1 16 VAL QG 1 46 VAL MG1 . . 2.940 2.052 1.848 2.343 . 0 0 "[ . 1 . 2]" 1
208 1 17 THR H 1 17 THR HB . . 3.230 2.726 2.617 2.816 . 0 0 "[ . 1 . 2]" 1
209 1 17 THR H 1 17 THR MG . . 3.990 3.748 3.723 3.775 . 0 0 "[ . 1 . 2]" 1
210 1 17 THR H 1 39 VAL MG2 . . 5.500 5.345 5.184 5.506 0.006 18 0 "[ . 1 . 2]" 1
211 1 17 THR H 1 42 ARG QB . . 5.070 4.538 4.149 5.078 0.008 4 0 "[ . 1 . 2]" 1
212 1 17 THR H 1 46 VAL MG1 . . 5.500 5.130 4.885 5.391 . 0 0 "[ . 1 . 2]" 1
213 1 17 THR HA 1 17 THR MG . . 3.310 2.292 2.162 2.400 . 0 0 "[ . 1 . 2]" 1
214 1 17 THR HA 1 18 MET H . . 2.790 2.167 2.143 2.236 . 0 0 "[ . 1 . 2]" 1
215 1 17 THR HA 1 70 GLN HA . . 3.690 2.611 2.003 3.600 . 0 0 "[ . 1 . 2]" 1
216 1 17 THR HA 1 71 GLU H . . 3.780 3.037 2.454 3.778 . 0 0 "[ . 1 . 2]" 1
217 1 17 THR HB 1 18 MET H . . 4.510 4.042 3.842 4.240 . 0 0 "[ . 1 . 2]" 1
218 1 17 THR HG1 1 18 MET H . . 4.930 4.561 4.405 4.928 . 0 0 "[ . 1 . 2]" 1
219 1 17 THR HG1 1 71 GLU H . . 4.490 2.692 1.959 3.756 . 0 0 "[ . 1 . 2]" 1
220 1 17 THR MG 1 18 MET H . . 3.560 2.504 2.006 2.854 . 0 0 "[ . 1 . 2]" 1
221 1 17 THR MG 1 18 MET QG . . 4.840 4.117 3.855 4.409 . 0 0 "[ . 1 . 2]" 1
222 1 17 THR MG 1 19 LYS QB . . 4.940 4.244 3.538 4.917 . 0 0 "[ . 1 . 2]" 1
223 1 17 THR MG 1 19 LYS QD . . 5.340 4.285 3.044 5.214 . 0 0 "[ . 1 . 2]" 1
224 1 17 THR MG 1 70 GLN HA . . 3.470 2.389 2.018 2.810 . 0 0 "[ . 1 . 2]" 1
225 1 17 THR MG 1 70 GLN QB . . 3.830 2.861 2.023 3.831 0.001 7 0 "[ . 1 . 2]" 1
226 1 17 THR MG 1 70 GLN QG . . 4.100 3.530 2.474 4.101 0.001 1 0 "[ . 1 . 2]" 1
227 1 17 THR MG 1 71 GLU H . . 4.170 3.375 2.690 3.888 . 0 0 "[ . 1 . 2]" 1
228 1 17 THR MG 1 71 GLU QG . . 5.010 4.210 3.322 5.029 0.019 4 0 "[ . 1 . 2]" 1
229 1 18 MET H 1 18 MET HB2 . . 4.140 3.790 3.663 3.879 . 0 0 "[ . 1 . 2]" 1
230 1 18 MET H 1 18 MET QG . . 3.760 2.210 2.042 2.336 . 0 0 "[ . 1 . 2]" 1
231 1 18 MET H 1 69 TYR H . . 3.870 3.701 3.378 3.864 . 0 0 "[ . 1 . 2]" 1
232 1 18 MET H 1 69 TYR HB3 . . 4.200 3.774 3.569 4.082 . 0 0 "[ . 1 . 2]" 1
233 1 18 MET H 1 69 TYR QD . . 3.870 3.848 3.712 3.881 0.011 15 0 "[ . 1 . 2]" 1
234 1 18 MET HA 1 19 LYS H . . 2.960 2.197 2.142 2.262 . 0 0 "[ . 1 . 2]" 1
235 1 18 MET HB2 1 19 LYS H . . 3.700 3.105 2.811 3.641 . 0 0 "[ . 1 . 2]" 1
236 1 18 MET HB2 1 22 ASP HB2 . . 5.380 4.270 3.388 5.055 . 0 0 "[ . 1 . 2]" 1
237 1 18 MET HB2 1 24 LEU QD . . 3.630 2.531 2.126 2.840 . 0 0 "[ . 1 . 2]" 1
238 1 18 MET HB2 1 46 VAL MG1 . . 4.210 4.099 3.875 4.215 0.005 2 0 "[ . 1 . 2]" 1
239 1 18 MET HB2 1 46 VAL MG2 . . 4.640 4.628 4.474 4.654 0.014 12 0 "[ . 1 . 2]" 1
240 1 18 MET HB2 1 51 VAL QG . . 3.620 3.360 3.026 3.575 . 0 0 "[ . 1 . 2]" 1
241 1 18 MET HB2 1 65 ALA MB . . 3.540 2.537 2.278 2.721 . 0 0 "[ . 1 . 2]" 1
242 1 18 MET HB2 1 69 TYR H . . 5.110 4.758 4.507 5.098 . 0 0 "[ . 1 . 2]" 1
243 1 18 MET HB2 1 69 TYR HB3 . . 4.830 4.563 4.340 4.791 . 0 0 "[ . 1 . 2]" 1
244 1 18 MET HB3 1 19 LYS H . . 4.470 4.052 3.804 4.276 . 0 0 "[ . 1 . 2]" 1
245 1 18 MET HB3 1 24 LEU MD1 . . 4.390 3.149 2.116 3.954 . 0 0 "[ . 1 . 2]" 1
246 1 18 MET HB3 1 24 LEU QD . . 3.810 2.103 1.935 2.379 . 0 0 "[ . 1 . 2]" 1
247 1 18 MET HB3 1 24 LEU MD2 . . 4.390 2.323 1.949 3.434 . 0 0 "[ . 1 . 2]" 1
248 1 18 MET HB3 1 39 VAL MG1 . . 4.030 3.251 2.799 3.440 . 0 0 "[ . 1 . 2]" 1
249 1 18 MET HB3 1 39 VAL MG2 . . 4.620 4.255 3.762 4.551 . 0 0 "[ . 1 . 2]" 1
250 1 18 MET HB3 1 65 ALA MB . . 4.710 3.912 3.604 4.127 . 0 0 "[ . 1 . 2]" 1
251 1 18 MET ME 1 51 VAL H . . 4.770 3.835 3.222 4.479 . 0 0 "[ . 1 . 2]" 1
252 1 18 MET ME 1 65 ALA MB . . 3.810 2.592 1.872 3.814 0.004 13 0 "[ . 1 . 2]" 1
253 1 18 MET QG 1 19 LYS H . . 5.290 4.221 3.692 4.438 . 0 0 "[ . 1 . 2]" 1
254 1 18 MET QG 1 24 LEU QD . . 4.040 3.454 2.940 3.732 . 0 0 "[ . 1 . 2]" 1
255 1 18 MET QG 1 65 ALA MB . . 4.590 3.763 2.655 4.040 . 0 0 "[ . 1 . 2]" 1
256 1 18 MET QG 1 69 TYR H . . 3.960 2.895 2.428 3.501 . 0 0 "[ . 1 . 2]" 1
257 1 18 MET HG2 1 46 VAL MG1 . . 4.510 2.425 1.942 4.023 . 0 0 "[ . 1 . 2]" 1
258 1 18 MET HG3 1 46 VAL MG1 . . 4.510 3.732 2.947 4.512 0.002 12 0 "[ . 1 . 2]" 1
259 1 19 LYS H 1 19 LYS QB . . 3.290 2.607 2.253 3.117 . 0 0 "[ . 1 . 2]" 1
260 1 19 LYS H 1 19 LYS QG . . 4.170 3.288 1.966 4.175 0.005 6 0 "[ . 1 . 2]" 1
261 1 19 LYS H 1 22 ASP HB2 . . 4.090 2.502 2.181 2.677 . 0 0 "[ . 1 . 2]" 1
262 1 19 LYS H 1 22 ASP HB3 . . 5.500 3.339 2.761 3.824 . 0 0 "[ . 1 . 2]" 1
263 1 19 LYS HA 1 19 LYS QD . . 4.430 3.705 2.091 4.420 . 0 0 "[ . 1 . 2]" 1
264 1 19 LYS HA 1 19 LYS QG . . 3.900 2.590 2.124 3.435 . 0 0 "[ . 1 . 2]" 1
265 1 19 LYS HA 1 20 LYS H . . 2.880 2.251 2.174 2.339 . 0 0 "[ . 1 . 2]" 1
266 1 19 LYS QB 1 19 LYS QE . . 4.340 2.642 1.958 3.535 . 0 0 "[ . 1 . 2]" 1
267 1 19 LYS QB 1 20 LYS H . . 3.590 3.062 2.566 3.594 0.004 14 0 "[ . 1 . 2]" 1
268 1 19 LYS QG 1 20 LYS H . . 4.340 3.279 2.178 4.152 . 0 0 "[ . 1 . 2]" 1
269 1 20 LYS H 1 20 LYS QG . . 4.290 2.485 1.926 4.026 . 0 0 "[ . 1 . 2]" 1
270 1 20 LYS H 1 68 ASP H . . 4.610 4.252 3.619 4.611 0.001 8 0 "[ . 1 . 2]" 1
271 1 20 LYS H 1 68 ASP HA . . 3.340 2.729 2.565 2.962 . 0 0 "[ . 1 . 2]" 1
272 1 20 LYS H 1 68 ASP QB . . 4.680 3.049 2.628 3.917 . 0 0 "[ . 1 . 2]" 1
273 1 20 LYS HA 1 65 ALA MB . . 3.400 2.253 1.981 2.546 . 0 0 "[ . 1 . 2]" 1
274 1 20 LYS QB 1 65 ALA MB . . 3.980 3.828 3.438 3.992 0.012 16 0 "[ . 1 . 2]" 1
275 1 20 LYS QB 1 68 ASP HA . . 4.300 3.877 3.093 4.303 0.003 7 0 "[ . 1 . 2]" 1
276 1 20 LYS QG 1 21 GLY H . . 4.780 4.137 2.953 4.513 . 0 0 "[ . 1 . 2]" 1
277 1 20 LYS QG 1 65 ALA MB . . 5.150 4.578 3.829 4.857 . 0 0 "[ . 1 . 2]" 1
278 1 20 LYS QG 1 68 ASP H . . 4.490 4.360 3.638 4.501 0.011 20 0 "[ . 1 . 2]" 1
279 1 21 GLY H 1 22 ASP H . . 3.140 2.294 2.135 2.508 . 0 0 "[ . 1 . 2]" 1
280 1 21 GLY H 1 64 LEU QD . . 4.090 2.941 1.966 4.087 . 0 0 "[ . 1 . 2]" 1
281 1 21 GLY H 1 64 LEU HG . . 5.080 3.189 2.574 4.423 . 0 0 "[ . 1 . 2]" 1
282 1 21 GLY H 1 65 ALA H . . 4.610 3.333 3.151 3.632 . 0 0 "[ . 1 . 2]" 1
283 1 21 GLY H 1 65 ALA MB . . 3.400 2.751 2.287 3.174 . 0 0 "[ . 1 . 2]" 1
284 1 21 GLY QA 1 64 LEU QD . . 3.170 2.014 1.854 2.506 . 0 0 "[ . 1 . 2]" 1
285 1 22 ASP H 1 22 ASP HB2 . . 2.930 2.361 2.251 2.478 . 0 0 "[ . 1 . 2]" 1
286 1 22 ASP H 1 22 ASP HB3 . . 3.900 3.386 2.872 3.659 . 0 0 "[ . 1 . 2]" 1
287 1 22 ASP H 1 23 ILE H . . 4.680 4.552 4.479 4.592 . 0 0 "[ . 1 . 2]" 1
288 1 22 ASP H 1 23 ILE QG . . 5.340 5.129 4.993 5.313 . 0 0 "[ . 1 . 2]" 1
289 1 22 ASP H 1 64 LEU QB . . 5.340 5.345 5.326 5.360 0.020 7 0 "[ . 1 . 2]" 1
290 1 22 ASP H 1 64 LEU QD . . 4.130 3.356 2.290 3.904 . 0 0 "[ . 1 . 2]" 1
291 1 22 ASP H 1 65 ALA H . . 4.080 3.031 2.712 3.315 . 0 0 "[ . 1 . 2]" 1
292 1 22 ASP H 1 65 ALA MB . . 2.940 2.499 2.089 2.916 . 0 0 "[ . 1 . 2]" 1
293 1 22 ASP HA 1 23 ILE H . . 2.800 2.208 2.157 2.293 . 0 0 "[ . 1 . 2]" 1
294 1 22 ASP HA 1 24 LEU QD . . 5.440 4.242 3.939 4.454 . 0 0 "[ . 1 . 2]" 1
295 1 22 ASP HB2 1 23 ILE H . . 4.250 4.186 4.012 4.266 0.016 17 0 "[ . 1 . 2]" 1
296 1 22 ASP HB2 1 24 LEU QD . . 3.650 3.082 2.591 3.668 0.018 17 0 "[ . 1 . 2]" 1
297 1 22 ASP HB2 1 65 ALA H . . 4.610 4.070 3.644 4.624 0.014 13 0 "[ . 1 . 2]" 1
298 1 22 ASP HB2 1 65 ALA MB . . 3.550 2.824 2.301 3.426 . 0 0 "[ . 1 . 2]" 1
299 1 22 ASP HB3 1 23 ILE H . . 3.590 3.226 2.749 3.594 0.004 1 0 "[ . 1 . 2]" 1
300 1 22 ASP HB3 1 24 LEU QD . . 3.560 2.612 2.133 3.278 . 0 0 "[ . 1 . 2]" 1
301 1 22 ASP HB3 1 39 VAL MG2 . . 4.460 3.060 2.672 3.394 . 0 0 "[ . 1 . 2]" 1
302 1 22 ASP HB3 1 65 ALA H . . 5.230 4.508 3.646 4.960 . 0 0 "[ . 1 . 2]" 1
303 1 22 ASP HB3 1 65 ALA MB . . 4.160 3.625 2.815 4.167 0.007 12 0 "[ . 1 . 2]" 1
304 1 23 ILE H 1 23 ILE HB . . 3.110 2.553 2.516 2.635 . 0 0 "[ . 1 . 2]" 1
305 1 23 ILE H 1 23 ILE MD . . 4.300 3.553 2.133 3.781 . 0 0 "[ . 1 . 2]" 1
306 1 23 ILE H 1 23 ILE HG12 . . 4.540 3.683 2.432 4.059 . 0 0 "[ . 1 . 2]" 1
307 1 23 ILE H 1 23 ILE QG . . 3.810 2.423 2.255 3.075 . 0 0 "[ . 1 . 2]" 1
308 1 23 ILE H 1 23 ILE HG13 . . 4.540 2.524 2.279 3.814 . 0 0 "[ . 1 . 2]" 1
309 1 23 ILE H 1 23 ILE MG . . 4.480 3.805 3.788 3.832 . 0 0 "[ . 1 . 2]" 1
310 1 23 ILE H 1 24 LEU QD . . 4.530 3.895 3.539 4.161 . 0 0 "[ . 1 . 2]" 1
311 1 23 ILE HA 1 23 ILE HG12 . . 4.010 2.713 2.606 3.537 . 0 0 "[ . 1 . 2]" 1
312 1 23 ILE HA 1 23 ILE QG . . 3.500 2.481 2.362 2.918 . 0 0 "[ . 1 . 2]" 1
313 1 23 ILE HA 1 23 ILE HG13 . . 4.010 2.958 2.399 3.726 . 0 0 "[ . 1 . 2]" 1
314 1 23 ILE HA 1 23 ILE MG . . 3.270 2.312 2.254 2.375 . 0 0 "[ . 1 . 2]" 1
315 1 23 ILE HA 1 24 LEU H . . 2.850 2.160 2.140 2.186 . 0 0 "[ . 1 . 2]" 1
316 1 23 ILE HA 1 24 LEU QD . . 3.900 3.196 2.853 3.651 . 0 0 "[ . 1 . 2]" 1
317 1 23 ILE QG 1 23 ILE MG . . 3.330 2.249 2.091 2.303 . 0 0 "[ . 1 . 2]" 1
318 1 23 ILE QG 1 24 LEU H . . 5.340 4.299 4.101 4.564 . 0 0 "[ . 1 . 2]" 1
319 1 23 ILE QG 1 64 LEU HA . . 4.650 3.695 3.310 4.589 . 0 0 "[ . 1 . 2]" 1
320 1 23 ILE QG 1 65 ALA H . . 5.340 4.842 4.653 5.342 0.002 7 0 "[ . 1 . 2]" 1
321 1 23 ILE MG 1 24 LEU HA . . 4.660 3.907 3.523 4.104 . 0 0 "[ . 1 . 2]" 1
322 1 23 ILE MG 1 25 THR H . . 5.250 4.531 4.109 4.759 . 0 0 "[ . 1 . 2]" 1
323 1 23 ILE MG 1 25 THR HA . . 4.880 4.195 4.049 4.349 . 0 0 "[ . 1 . 2]" 1
324 1 24 LEU H 1 24 LEU HB2 . . 3.520 2.628 2.504 2.846 . 0 0 "[ . 1 . 2]" 1
325 1 24 LEU H 1 24 LEU HB3 . . 3.890 3.706 3.630 3.866 . 0 0 "[ . 1 . 2]" 1
326 1 24 LEU H 1 24 LEU QD . . 3.200 2.180 1.888 2.981 . 0 0 "[ . 1 . 2]" 1
327 1 24 LEU H 1 37 VAL MG2 . . 5.120 4.878 4.685 5.064 . 0 0 "[ . 1 . 2]" 1
328 1 24 LEU H 1 39 VAL MG2 . . 5.500 4.860 4.516 5.269 . 0 0 "[ . 1 . 2]" 1
329 1 24 LEU H 1 63 VAL H . . 3.760 3.585 3.209 3.765 0.005 5 0 "[ . 1 . 2]" 1
330 1 24 LEU H 1 63 VAL MG1 . . 5.500 5.191 4.975 5.332 . 0 0 "[ . 1 . 2]" 1
331 1 24 LEU H 1 63 VAL MG2 . . 3.930 2.909 2.635 3.108 . 0 0 "[ . 1 . 2]" 1
332 1 24 LEU HA 1 24 LEU QD . . 3.950 2.905 2.099 3.148 . 0 0 "[ . 1 . 2]" 1
333 1 24 LEU HA 1 25 THR H . . 2.910 2.190 2.154 2.222 . 0 0 "[ . 1 . 2]" 1
334 1 24 LEU HA 1 39 VAL HB . . 4.460 2.938 2.655 3.306 . 0 0 "[ . 1 . 2]" 1
335 1 24 LEU HA 1 39 VAL MG2 . . 4.350 3.470 3.160 3.670 . 0 0 "[ . 1 . 2]" 1
336 1 24 LEU HB2 1 24 LEU QD . . 3.070 2.084 1.972 2.401 . 0 0 "[ . 1 . 2]" 1
337 1 24 LEU HB2 1 25 THR H . . 4.180 3.964 3.713 4.092 . 0 0 "[ . 1 . 2]" 1
338 1 24 LEU HB2 1 37 VAL HB . . 4.100 2.977 2.465 3.355 . 0 0 "[ . 1 . 2]" 1
339 1 24 LEU HB2 1 37 VAL MG2 . . 4.400 2.661 2.503 2.861 . 0 0 "[ . 1 . 2]" 1
340 1 24 LEU HB2 1 39 VAL MG1 . . 5.260 4.912 4.738 5.156 . 0 0 "[ . 1 . 2]" 1
341 1 24 LEU HB2 1 63 VAL MG2 . . 3.040 2.346 2.079 2.465 . 0 0 "[ . 1 . 2]" 1
342 1 24 LEU HB3 1 25 THR H . . 3.540 3.067 2.917 3.245 . 0 0 "[ . 1 . 2]" 1
343 1 24 LEU HB3 1 37 VAL H . . 5.500 5.384 5.137 5.513 0.013 19 0 "[ . 1 . 2]" 1
344 1 24 LEU HB3 1 37 VAL HB . . 3.730 2.311 2.007 2.600 . 0 0 "[ . 1 . 2]" 1
345 1 24 LEU HB3 1 37 VAL MG2 . . 4.090 2.090 1.967 2.405 . 0 0 "[ . 1 . 2]" 1
346 1 24 LEU HB3 1 38 GLU H . . 4.040 3.304 3.090 3.433 . 0 0 "[ . 1 . 2]" 1
347 1 24 LEU HB3 1 39 VAL HB . . 4.100 2.806 2.524 3.064 . 0 0 "[ . 1 . 2]" 1
348 1 24 LEU HB3 1 39 VAL MG1 . . 3.950 3.792 3.672 3.922 . 0 0 "[ . 1 . 2]" 1
349 1 24 LEU HB3 1 39 VAL MG2 . . 4.490 4.124 3.876 4.350 . 0 0 "[ . 1 . 2]" 1
350 1 24 LEU HB3 1 51 VAL QG . . 5.120 4.985 4.817 5.123 0.003 4 0 "[ . 1 . 2]" 1
351 1 24 LEU HB3 1 63 VAL MG2 . . 3.890 3.651 3.260 3.893 0.003 14 0 "[ . 1 . 2]" 1
352 1 24 LEU QD 1 39 VAL HA . . 4.340 3.935 3.052 4.236 . 0 0 "[ . 1 . 2]" 1
353 1 24 LEU QD 1 39 VAL HB . . 3.630 2.126 1.873 2.330 . 0 0 "[ . 1 . 2]" 1
354 1 24 LEU QD 1 39 VAL MG2 . . 2.780 2.532 1.806 2.781 0.001 20 0 "[ . 1 . 2]" 1
355 1 24 LEU QD 1 46 VAL MG1 . . 3.540 3.004 2.791 3.221 . 0 0 "[ . 1 . 2]" 1
356 1 24 LEU QD 1 51 VAL QG . . 3.450 2.394 2.210 2.580 . 0 0 "[ . 1 . 2]" 1
357 1 24 LEU QD 1 65 ALA HA . . 5.440 3.664 3.283 4.223 . 0 0 "[ . 1 . 2]" 1
358 1 24 LEU QD 1 65 ALA MB . . 3.280 2.483 2.212 2.915 . 0 0 "[ . 1 . 2]" 1
359 1 24 LEU MD1 1 39 VAL MG2 . . 3.240 3.230 3.008 3.254 0.014 14 0 "[ . 1 . 2]" 1
360 1 24 LEU MD2 1 39 VAL MG2 . . 3.240 2.700 1.815 3.028 . 0 0 "[ . 1 . 2]" 1
361 1 25 THR H 1 25 THR HB . . 3.110 2.684 2.495 2.810 . 0 0 "[ . 1 . 2]" 1
362 1 25 THR H 1 25 THR MG . . 4.350 3.766 3.735 3.788 . 0 0 "[ . 1 . 2]" 1
363 1 25 THR H 1 37 VAL HB . . 4.110 3.448 3.315 3.636 . 0 0 "[ . 1 . 2]" 1
364 1 25 THR H 1 37 VAL MG1 . . 5.500 4.667 4.553 4.875 . 0 0 "[ . 1 . 2]" 1
365 1 25 THR H 1 38 GLU H . . 3.550 2.739 2.667 2.860 . 0 0 "[ . 1 . 2]" 1
366 1 25 THR H 1 38 GLU QB . . 4.340 3.335 3.058 3.565 . 0 0 "[ . 1 . 2]" 1
367 1 25 THR HA 1 25 THR MG . . 3.240 2.194 2.086 2.335 . 0 0 "[ . 1 . 2]" 1
368 1 25 THR HA 1 26 LEU H . . 2.860 2.155 2.142 2.174 . 0 0 "[ . 1 . 2]" 1
369 1 25 THR HA 1 62 LEU HA . . 3.690 3.440 3.191 3.683 . 0 0 "[ . 1 . 2]" 1
370 1 25 THR HA 1 63 VAL H . . 4.180 4.000 3.775 4.182 0.002 12 0 "[ . 1 . 2]" 1
371 1 25 THR HB 1 26 LEU H . . 4.810 4.270 4.225 4.349 . 0 0 "[ . 1 . 2]" 1
372 1 25 THR HB 1 38 GLU H . . 3.940 2.750 2.622 2.964 . 0 0 "[ . 1 . 2]" 1
373 1 25 THR HB 1 38 GLU QB . . 3.370 2.057 1.958 2.288 . 0 0 "[ . 1 . 2]" 1
374 1 25 THR HB 1 38 GLU QG . . 4.420 4.090 3.637 4.399 . 0 0 "[ . 1 . 2]" 1
375 1 25 THR MG 1 26 LEU H . . 3.330 2.982 2.603 3.221 . 0 0 "[ . 1 . 2]" 1
376 1 25 THR MG 1 37 VAL HA . . 5.000 4.827 4.533 5.002 0.002 15 0 "[ . 1 . 2]" 1
377 1 25 THR MG 1 37 VAL HB . . 5.360 5.031 4.775 5.286 . 0 0 "[ . 1 . 2]" 1
378 1 25 THR MG 1 38 GLU H . . 4.150 4.083 3.872 4.157 0.007 15 0 "[ . 1 . 2]" 1
379 1 25 THR MG 1 38 GLU QB . . 3.760 3.352 3.230 3.483 . 0 0 "[ . 1 . 2]" 1
380 1 25 THR MG 1 62 LEU HA . . 4.410 4.337 4.109 4.418 0.008 13 0 "[ . 1 . 2]" 1
381 1 26 LEU H 1 26 LEU QB . . 3.220 2.130 2.106 2.157 . 0 0 "[ . 1 . 2]" 1
382 1 26 LEU H 1 26 LEU MD1 . . 4.680 4.251 4.216 4.269 . 0 0 "[ . 1 . 2]" 1
383 1 26 LEU H 1 26 LEU MD2 . . 4.260 3.534 3.458 3.600 . 0 0 "[ . 1 . 2]" 1
384 1 26 LEU H 1 27 LEU H . . 4.780 4.559 4.476 4.590 . 0 0 "[ . 1 . 2]" 1
385 1 26 LEU H 1 37 VAL HB . . 5.140 4.326 4.214 4.541 . 0 0 "[ . 1 . 2]" 1
386 1 26 LEU H 1 38 GLU H . . 4.980 4.744 4.632 4.847 . 0 0 "[ . 1 . 2]" 1
387 1 26 LEU H 1 61 GLU QB . . 5.500 4.633 4.154 5.454 . 0 0 "[ . 1 . 2]" 1
388 1 26 LEU H 1 62 LEU HA . . 3.620 2.815 2.677 3.069 . 0 0 "[ . 1 . 2]" 1
389 1 26 LEU H 1 62 LEU HB2 . . 4.870 4.746 4.409 4.877 0.007 1 0 "[ . 1 . 2]" 1
390 1 26 LEU H 1 63 VAL MG2 . . 4.060 3.523 3.139 3.807 . 0 0 "[ . 1 . 2]" 1
391 1 26 LEU HA 1 26 LEU MD1 . . 4.570 2.600 2.400 2.720 . 0 0 "[ . 1 . 2]" 1
392 1 26 LEU HA 1 26 LEU MD2 . . 3.100 2.041 1.955 2.301 . 0 0 "[ . 1 . 2]" 1
393 1 26 LEU HA 1 26 LEU HG . . 3.950 3.686 3.672 3.699 . 0 0 "[ . 1 . 2]" 1
394 1 26 LEU HA 1 27 LEU H . . 2.980 2.163 2.140 2.180 . 0 0 "[ . 1 . 2]" 1
395 1 26 LEU HA 1 28 ASN H . . 4.380 4.195 4.045 4.345 . 0 0 "[ . 1 . 2]" 1
396 1 26 LEU HA 1 37 VAL HA . . 3.730 2.883 2.765 2.957 . 0 0 "[ . 1 . 2]" 1
397 1 26 LEU HA 1 37 VAL HB . . 4.650 3.226 3.028 3.434 . 0 0 "[ . 1 . 2]" 1
398 1 26 LEU HA 1 37 VAL MG1 . . 3.210 1.921 1.900 2.025 . 0 0 "[ . 1 . 2]" 1
399 1 26 LEU HA 1 63 VAL MG1 . . 4.300 3.771 3.619 3.923 . 0 0 "[ . 1 . 2]" 1
400 1 26 LEU QB 1 26 LEU MD1 . . 3.270 2.226 2.192 2.305 . 0 0 "[ . 1 . 2]" 1
401 1 26 LEU QB 1 27 LEU H . . 4.800 3.625 3.550 3.776 . 0 0 "[ . 1 . 2]" 1
402 1 26 LEU QB 1 61 GLU QB . . 4.330 2.958 2.335 4.139 . 0 0 "[ . 1 . 2]" 1
403 1 26 LEU QB 1 63 VAL H . . 4.710 3.621 3.141 3.966 . 0 0 "[ . 1 . 2]" 1
404 1 26 LEU QB 1 63 VAL HB . . 5.090 4.926 4.659 5.095 0.005 7 0 "[ . 1 . 2]" 1
405 1 26 LEU QB 1 63 VAL MG1 . . 3.320 2.152 1.960 2.354 . 0 0 "[ . 1 . 2]" 1
406 1 26 LEU MD1 1 27 LEU HA . . 4.500 3.364 3.255 3.585 . 0 0 "[ . 1 . 2]" 1
407 1 26 LEU MD1 1 27 LEU HB2 . . 4.080 4.025 3.921 4.079 . 0 0 "[ . 1 . 2]" 1
408 1 26 LEU MD1 1 28 ASN H . . 4.550 2.613 2.412 2.870 . 0 0 "[ . 1 . 2]" 1
409 1 26 LEU MD1 1 28 ASN HB3 . . 4.790 4.714 4.557 4.796 0.006 6 0 "[ . 1 . 2]" 1
410 1 26 LEU MD1 1 29 SER H . . 4.870 3.542 3.325 3.709 . 0 0 "[ . 1 . 2]" 1
411 1 26 LEU MD1 1 29 SER HB2 . . 4.000 3.549 2.743 3.922 . 0 0 "[ . 1 . 2]" 1
412 1 26 LEU MD1 1 29 SER QB . . 3.240 2.266 1.953 3.012 . 0 0 "[ . 1 . 2]" 1
413 1 26 LEU MD1 1 29 SER HB3 . . 4.000 2.435 1.963 3.988 . 0 0 "[ . 1 . 2]" 1
414 1 26 LEU MD1 1 35 TRP HE3 . . 4.490 4.128 3.825 4.478 . 0 0 "[ . 1 . 2]" 1
415 1 26 LEU MD1 1 35 TRP HZ3 . . 5.230 4.674 4.300 5.093 . 0 0 "[ . 1 . 2]" 1
416 1 26 LEU MD1 1 36 LYS H . . 5.440 4.009 3.865 4.207 . 0 0 "[ . 1 . 2]" 1
417 1 26 LEU MD1 1 37 VAL MG1 . . 3.960 2.902 2.462 3.141 . 0 0 "[ . 1 . 2]" 1
418 1 26 LEU MD1 1 37 VAL MG2 . . 5.500 5.211 4.876 5.358 . 0 0 "[ . 1 . 2]" 1
419 1 26 LEU MD1 1 63 VAL MG1 . . 3.890 3.750 3.571 3.893 0.003 2 0 "[ . 1 . 2]" 1
420 1 26 LEU MD2 1 27 LEU H . . 3.420 3.171 2.996 3.430 0.010 17 0 "[ . 1 . 2]" 1
421 1 26 LEU MD2 1 28 ASN H . . 4.450 4.041 3.823 4.319 . 0 0 "[ . 1 . 2]" 1
422 1 26 LEU MD2 1 29 SER QB . . 4.490 3.324 2.998 4.165 . 0 0 "[ . 1 . 2]" 1
423 1 26 LEU MD2 1 35 TRP HB2 . . 4.060 3.993 3.806 4.068 0.008 14 0 "[ . 1 . 2]" 1
424 1 26 LEU MD2 1 35 TRP QB . . 3.370 2.656 2.500 2.757 . 0 0 "[ . 1 . 2]" 1
425 1 26 LEU MD2 1 35 TRP HB3 . . 4.060 2.697 2.533 2.804 . 0 0 "[ . 1 . 2]" 1
426 1 26 LEU MD2 1 35 TRP HE3 . . 3.520 2.130 2.004 2.341 . 0 0 "[ . 1 . 2]" 1
427 1 26 LEU MD2 1 36 LYS H . . 4.480 4.285 4.115 4.485 0.005 17 0 "[ . 1 . 2]" 1
428 1 26 LEU MD2 1 63 VAL HB . . 4.090 3.644 3.438 3.830 . 0 0 "[ . 1 . 2]" 1
429 1 26 LEU HG 1 61 GLU QB . . 5.500 3.967 3.461 5.392 . 0 0 "[ . 1 . 2]" 1
430 1 27 LEU H 1 27 LEU HB2 . . 3.590 2.514 2.350 2.646 . 0 0 "[ . 1 . 2]" 1
431 1 27 LEU H 1 27 LEU HB3 . . 3.760 3.693 3.579 3.775 0.015 5 0 "[ . 1 . 2]" 1
432 1 27 LEU H 1 27 LEU HG . . 4.010 3.201 2.856 3.527 . 0 0 "[ . 1 . 2]" 1
433 1 27 LEU H 1 28 ASN H . . 3.010 2.188 2.059 2.302 . 0 0 "[ . 1 . 2]" 1
434 1 27 LEU H 1 36 LYS H . . 4.960 4.543 4.375 4.734 . 0 0 "[ . 1 . 2]" 1
435 1 27 LEU H 1 37 VAL H . . 4.780 4.723 4.503 4.811 0.031 17 0 "[ . 1 . 2]" 1
436 1 27 LEU H 1 37 VAL HA . . 3.340 2.639 2.230 2.763 . 0 0 "[ . 1 . 2]" 1
437 1 27 LEU H 1 37 VAL HB . . 4.640 4.382 4.115 4.594 . 0 0 "[ . 1 . 2]" 1
438 1 27 LEU H 1 37 VAL MG1 . . 4.020 2.559 2.449 2.746 . 0 0 "[ . 1 . 2]" 1
439 1 27 LEU HA 1 27 LEU MD2 . . 3.290 2.220 2.047 2.449 . 0 0 "[ . 1 . 2]" 1
440 1 27 LEU HA 1 27 LEU HG . . 3.880 2.902 2.637 3.128 . 0 0 "[ . 1 . 2]" 1
441 1 27 LEU HB2 1 28 ASN H . . 3.740 2.396 2.202 2.586 . 0 0 "[ . 1 . 2]" 1
442 1 27 LEU HB3 1 28 ASN H . . 3.360 3.259 3.039 3.363 0.003 1 0 "[ . 1 . 2]" 1
443 1 27 LEU HB3 1 37 VAL HA . . 5.460 4.597 4.434 4.793 . 0 0 "[ . 1 . 2]" 1
444 1 27 LEU MD1 1 28 ASN H . . 5.050 4.230 3.934 4.475 . 0 0 "[ . 1 . 2]" 1
445 1 27 LEU MD1 1 37 VAL HA . . 4.370 3.011 2.388 3.696 . 0 0 "[ . 1 . 2]" 1
446 1 27 LEU MD1 1 38 GLU QB . . 3.910 2.247 1.959 2.756 . 0 0 "[ . 1 . 2]" 1
447 1 27 LEU MD2 1 37 VAL HA . . 4.700 4.416 3.965 4.711 0.011 18 0 "[ . 1 . 2]" 1
448 1 27 LEU HG 1 37 VAL HA . . 4.230 2.886 2.370 3.283 . 0 0 "[ . 1 . 2]" 1
449 1 27 LEU HG 1 38 GLU H . . 4.050 3.671 3.199 4.029 . 0 0 "[ . 1 . 2]" 1
450 1 28 ASN H 1 28 ASN HB2 . . 3.830 2.706 2.580 2.883 . 0 0 "[ . 1 . 2]" 1
451 1 28 ASN H 1 28 ASN HB3 . . 4.120 3.339 2.867 3.753 . 0 0 "[ . 1 . 2]" 1
452 1 28 ASN H 1 28 ASN HD21 . . 4.810 4.773 4.658 4.827 0.017 18 0 "[ . 1 . 2]" 1
453 1 28 ASN H 1 36 LYS H . . 3.780 3.202 3.022 3.402 . 0 0 "[ . 1 . 2]" 1
454 1 28 ASN H 1 37 VAL HA . . 4.610 4.029 3.953 4.092 . 0 0 "[ . 1 . 2]" 1
455 1 28 ASN HA 1 28 ASN HD21 . . 4.060 2.798 2.001 3.847 . 0 0 "[ . 1 . 2]" 1
456 1 28 ASN HA 1 28 ASN HD22 . . 4.470 3.654 3.264 4.179 . 0 0 "[ . 1 . 2]" 1
457 1 28 ASN HA 1 29 SER H . . 2.810 2.179 2.158 2.206 . 0 0 "[ . 1 . 2]" 1
458 1 28 ASN HA 1 30 THR H . . 4.000 3.888 3.734 4.005 0.005 4 0 "[ . 1 . 2]" 1
459 1 28 ASN HA 1 36 LYS H . . 5.500 4.766 4.534 4.999 . 0 0 "[ . 1 . 2]" 1
460 1 28 ASN HB2 1 36 LYS H . . 4.060 3.806 3.347 4.066 0.006 5 0 "[ . 1 . 2]" 1
461 1 28 ASN HB3 1 28 ASN HD21 . . 3.200 2.644 2.193 3.192 . 0 0 "[ . 1 . 2]" 1
462 1 28 ASN HB3 1 28 ASN HD22 . . 4.060 3.657 3.465 3.912 . 0 0 "[ . 1 . 2]" 1
463 1 28 ASN HB3 1 29 SER QB . . 5.340 5.317 5.168 5.366 0.026 18 0 "[ . 1 . 2]" 1
464 1 28 ASN HB3 1 30 THR H . . 4.820 3.404 2.762 4.001 . 0 0 "[ . 1 . 2]" 1
465 1 28 ASN HB3 1 30 THR MG . . 4.310 3.548 2.711 4.312 0.002 13 0 "[ . 1 . 2]" 1
466 1 28 ASN HD21 1 30 THR MG . . 4.400 3.214 2.141 4.407 0.007 11 0 "[ . 1 . 2]" 1
467 1 28 ASN HD22 1 30 THR H . . 5.500 4.286 2.497 5.374 . 0 0 "[ . 1 . 2]" 1
468 1 28 ASN HD22 1 30 THR MG . . 4.530 3.236 1.946 4.515 . 0 0 "[ . 1 . 2]" 1
469 1 29 SER H 1 30 THR H . . 3.200 2.365 2.163 2.594 . 0 0 "[ . 1 . 2]" 1
470 1 29 SER H 1 30 THR HA . . 4.450 4.168 4.069 4.245 . 0 0 "[ . 1 . 2]" 1
471 1 29 SER H 1 30 THR MG . . 4.480 3.625 2.825 4.146 . 0 0 "[ . 1 . 2]" 1
472 1 29 SER H 1 35 TRP HE1 . . 5.460 5.502 5.474 5.526 0.066 17 0 "[ . 1 . 2]" 1
473 1 29 SER QB 1 35 TRP HD1 . . 4.790 3.852 3.327 4.423 . 0 0 "[ . 1 . 2]" 1
474 1 29 SER QB 1 35 TRP HE1 . . 4.430 2.639 2.208 3.025 . 0 0 "[ . 1 . 2]" 1
475 1 29 SER QB 1 35 TRP HZ2 . . 3.850 2.741 2.598 3.096 . 0 0 "[ . 1 . 2]" 1
476 1 29 SER HB2 1 35 TRP HZ2 . . 4.530 3.020 2.633 4.455 . 0 0 "[ . 1 . 2]" 1
477 1 29 SER HB3 1 35 TRP HZ2 . . 4.530 3.750 2.642 4.168 . 0 0 "[ . 1 . 2]" 1
478 1 30 THR H 1 30 THR HB . . 3.700 3.076 2.467 3.622 . 0 0 "[ . 1 . 2]" 1
479 1 30 THR H 1 30 THR MG . . 3.340 2.153 1.927 2.602 . 0 0 "[ . 1 . 2]" 1
480 1 30 THR H 1 31 ASN H . . 3.310 2.664 2.461 2.845 . 0 0 "[ . 1 . 2]" 1
481 1 30 THR H 1 31 ASN HB2 . . 4.900 4.667 4.389 4.905 0.005 20 0 "[ . 1 . 2]" 1
482 1 30 THR HA 1 30 THR HG1 . . 4.050 3.427 2.389 3.981 . 0 0 "[ . 1 . 2]" 1
483 1 30 THR HA 1 30 THR MG . . 3.320 2.798 2.204 3.203 . 0 0 "[ . 1 . 2]" 1
484 1 30 THR HB 1 31 ASN H . . 4.250 3.901 3.119 4.186 . 0 0 "[ . 1 . 2]" 1
485 1 30 THR MG 1 31 ASN H . . 4.400 2.865 1.931 4.067 . 0 0 "[ . 1 . 2]" 1
486 1 30 THR MG 1 31 ASN HB2 . . 5.500 4.160 2.749 5.501 0.001 20 0 "[ . 1 . 2]" 1
487 1 31 ASN H 1 31 ASN HB2 . . 3.220 2.257 2.135 2.479 . 0 0 "[ . 1 . 2]" 1
488 1 31 ASN H 1 31 ASN HB3 . . 3.670 3.456 3.051 3.676 0.006 20 0 "[ . 1 . 2]" 1
489 1 31 ASN H 1 32 LYS H . . 4.630 4.522 4.163 4.620 . 0 0 "[ . 1 . 2]" 1
490 1 31 ASN H 1 35 TRP HD1 . . 3.830 3.555 3.321 3.835 0.005 11 0 "[ . 1 . 2]" 1
491 1 31 ASN HA 1 31 ASN QD . . 3.660 2.823 2.082 3.585 . 0 0 "[ . 1 . 2]" 1
492 1 31 ASN HA 1 32 LYS H . . 2.750 2.447 2.152 2.640 . 0 0 "[ . 1 . 2]" 1
493 1 31 ASN HB2 1 32 LYS H . . 4.710 3.840 3.311 4.480 . 0 0 "[ . 1 . 2]" 1
494 1 31 ASN HB2 1 33 ASP H . . 4.840 3.714 3.081 4.232 . 0 0 "[ . 1 . 2]" 1
495 1 31 ASN HB2 1 34 TRP H . . 4.020 3.204 2.897 3.733 . 0 0 "[ . 1 . 2]" 1
496 1 31 ASN HB2 1 35 TRP HD1 . . 4.220 3.651 3.210 4.229 0.009 20 0 "[ . 1 . 2]" 1
497 1 31 ASN HB3 1 31 ASN QD . . 3.340 2.321 2.097 2.992 . 0 0 "[ . 1 . 2]" 1
498 1 31 ASN HB3 1 31 ASN HD22 . . 3.870 3.534 3.435 3.873 0.003 6 0 "[ . 1 . 2]" 1
499 1 31 ASN HB3 1 32 LYS H . . 4.130 2.519 1.949 3.706 . 0 0 "[ . 1 . 2]" 1
500 1 31 ASN HB3 1 34 TRP H . . 3.570 2.316 1.945 3.065 . 0 0 "[ . 1 . 2]" 1
501 1 31 ASN QD 1 32 LYS H . . 4.440 3.009 2.176 4.321 . 0 0 "[ . 1 . 2]" 1
502 1 31 ASN QD 1 33 ASP H . . 4.600 3.645 2.162 4.557 . 0 0 "[ . 1 . 2]" 1
503 1 31 ASN QD 1 34 TRP H . . 5.070 3.805 1.977 4.986 . 0 0 "[ . 1 . 2]" 1
504 1 32 LYS H 1 32 LYS QB . . 2.930 2.723 2.494 2.932 0.002 15 0 "[ . 1 . 2]" 1
505 1 32 LYS H 1 32 LYS QG . . 3.350 2.332 2.080 2.890 . 0 0 "[ . 1 . 2]" 1
506 1 32 LYS H 1 33 ASP H . . 3.240 2.319 1.894 2.762 . 0 0 "[ . 1 . 2]" 1
507 1 32 LYS H 1 34 TRP H . . 4.620 3.879 3.150 4.555 . 0 0 "[ . 1 . 2]" 1
508 1 32 LYS HA 1 33 ASP HA . . 4.820 4.473 4.377 4.733 . 0 0 "[ . 1 . 2]" 1
509 1 32 LYS HA 1 35 TRP HD1 . . 4.770 4.374 3.547 4.723 . 0 0 "[ . 1 . 2]" 1
510 1 32 LYS HA 1 35 TRP HE1 . . 3.670 3.098 2.313 3.449 . 0 0 "[ . 1 . 2]" 1
511 1 32 LYS QG 1 33 ASP H . . 4.260 3.714 2.324 4.300 0.040 18 0 "[ . 1 . 2]" 1
512 1 33 ASP H 1 33 ASP HB2 . . 3.960 2.876 2.377 3.717 . 0 0 "[ . 1 . 2]" 1
513 1 33 ASP H 1 33 ASP QB . . 3.170 2.720 2.345 3.202 0.032 13 0 "[ . 1 . 2]" 1
514 1 33 ASP H 1 33 ASP HB3 . . 3.960 3.665 3.074 3.963 0.003 14 0 "[ . 1 . 2]" 1
515 1 33 ASP HA 1 48 ALA H . . 5.010 3.677 3.498 3.818 . 0 0 "[ . 1 . 2]" 1
516 1 33 ASP HA 1 48 ALA MB . . 4.530 3.191 2.694 3.573 . 0 0 "[ . 1 . 2]" 1
517 1 33 ASP QB 1 34 TRP H . . 4.000 2.696 2.394 3.251 . 0 0 "[ . 1 . 2]" 1
518 1 33 ASP QB 1 34 TRP HD1 . . 4.070 3.236 2.823 3.761 . 0 0 "[ . 1 . 2]" 1
519 1 33 ASP QB 1 34 TRP HE1 . . 4.530 3.903 3.530 4.279 . 0 0 "[ . 1 . 2]" 1
520 1 34 TRP H 1 34 TRP HB2 . . 4.060 2.531 2.464 2.663 . 0 0 "[ . 1 . 2]" 1
521 1 34 TRP H 1 34 TRP HD1 . . 4.040 3.455 3.191 3.850 . 0 0 "[ . 1 . 2]" 1
522 1 34 TRP H 1 35 TRP HD1 . . 4.280 4.006 3.897 4.214 . 0 0 "[ . 1 . 2]" 1
523 1 34 TRP HA 1 34 TRP HE3 . . 3.870 2.569 2.161 2.832 . 0 0 "[ . 1 . 2]" 1
524 1 34 TRP HA 1 35 TRP H . . 2.940 2.143 2.139 2.150 . 0 0 "[ . 1 . 2]" 1
525 1 34 TRP HA 1 46 VAL H . . 4.630 4.042 3.741 4.524 . 0 0 "[ . 1 . 2]" 1
526 1 34 TRP HA 1 47 PRO HA . . 3.730 2.929 2.695 3.152 . 0 0 "[ . 1 . 2]" 1
527 1 34 TRP HA 1 48 ALA H . . 3.890 3.167 2.998 3.313 . 0 0 "[ . 1 . 2]" 1
528 1 34 TRP HA 1 48 ALA MB . . 4.630 4.108 3.978 4.231 . 0 0 "[ . 1 . 2]" 1
529 1 34 TRP HB2 1 34 TRP HD1 . . 3.110 2.569 2.547 2.601 . 0 0 "[ . 1 . 2]" 1
530 1 34 TRP HB2 1 45 PHE QD . . 4.440 4.296 3.481 4.442 0.002 7 0 "[ . 1 . 2]" 1
531 1 34 TRP HB3 1 34 TRP HE3 . . 3.360 2.813 2.693 3.014 . 0 0 "[ . 1 . 2]" 1
532 1 34 TRP HB3 1 35 TRP H . . 3.680 3.505 3.319 3.678 . 0 0 "[ . 1 . 2]" 1
533 1 34 TRP HB3 1 45 PHE QD . . 3.420 3.036 2.499 3.385 . 0 0 "[ . 1 . 2]" 1
534 1 34 TRP HE3 1 35 TRP H . . 4.140 3.538 3.200 3.987 . 0 0 "[ . 1 . 2]" 1
535 1 34 TRP HE3 1 46 VAL H . . 4.080 3.385 2.845 3.920 . 0 0 "[ . 1 . 2]" 1
536 1 34 TRP HE3 1 46 VAL MG2 . . 4.800 4.625 4.387 4.809 0.009 18 0 "[ . 1 . 2]" 1
537 1 34 TRP HE3 1 47 PRO HA . . 4.260 3.340 2.751 3.635 . 0 0 "[ . 1 . 2]" 1
538 1 34 TRP HH2 1 47 PRO HD3 . . 5.050 3.759 3.349 4.340 . 0 0 "[ . 1 . 2]" 1
539 1 34 TRP HZ3 1 46 VAL HA . . 3.890 2.809 2.235 3.744 . 0 0 "[ . 1 . 2]" 1
540 1 34 TRP HZ3 1 47 PRO HD2 . . 3.830 3.650 3.495 3.753 . 0 0 "[ . 1 . 2]" 1
541 1 34 TRP HZ3 1 47 PRO HD3 . . 3.830 2.015 1.998 2.081 . 0 0 "[ . 1 . 2]" 1
542 1 34 TRP HZ3 1 47 PRO HG3 . . 4.120 3.787 2.865 4.120 . 0 0 "[ . 1 . 2]" 1
543 1 35 TRP H 1 35 TRP QB . . 3.520 2.345 2.237 2.378 . 0 0 "[ . 1 . 2]" 1
544 1 35 TRP H 1 35 TRP HD1 . . 5.030 3.715 3.583 3.784 . 0 0 "[ . 1 . 2]" 1
545 1 35 TRP H 1 36 LYS H . . 4.970 4.436 4.379 4.518 . 0 0 "[ . 1 . 2]" 1
546 1 35 TRP H 1 37 VAL MG1 . . 5.230 5.072 4.858 5.197 . 0 0 "[ . 1 . 2]" 1
547 1 35 TRP H 1 46 VAL H . . 3.570 2.824 2.486 3.240 . 0 0 "[ . 1 . 2]" 1
548 1 35 TRP H 1 46 VAL MG2 . . 4.180 3.403 3.241 3.568 . 0 0 "[ . 1 . 2]" 1
549 1 35 TRP H 1 47 PRO HA . . 4.410 3.836 3.680 3.977 . 0 0 "[ . 1 . 2]" 1
550 1 35 TRP H 1 48 ALA H . . 4.140 3.337 3.049 3.681 . 0 0 "[ . 1 . 2]" 1
551 1 35 TRP H 1 48 ALA HA . . 5.110 4.603 4.370 4.839 . 0 0 "[ . 1 . 2]" 1
552 1 35 TRP H 1 48 ALA MB . . 4.470 3.623 3.358 3.942 . 0 0 "[ . 1 . 2]" 1
553 1 35 TRP HA 1 35 TRP HD1 . . 2.770 2.126 2.044 2.181 . 0 0 "[ . 1 . 2]" 1
554 1 35 TRP HA 1 36 LYS H . . 3.010 2.183 2.145 2.237 . 0 0 "[ . 1 . 2]" 1
555 1 35 TRP QB 1 35 TRP HD1 . . 3.400 3.195 3.182 3.213 . 0 0 "[ . 1 . 2]" 1
556 1 35 TRP QB 1 36 LYS H . . 3.840 3.142 2.928 3.345 . 0 0 "[ . 1 . 2]" 1
557 1 35 TRP QB 1 37 VAL MG1 . . 3.770 2.743 2.588 2.844 . 0 0 "[ . 1 . 2]" 1
558 1 35 TRP QB 1 37 VAL MG2 . . 5.340 4.126 3.960 4.249 . 0 0 "[ . 1 . 2]" 1
559 1 35 TRP QB 1 46 VAL H . . 4.720 3.834 3.660 3.954 . 0 0 "[ . 1 . 2]" 1
560 1 35 TRP QB 1 46 VAL MG2 . . 4.360 3.004 2.823 3.148 . 0 0 "[ . 1 . 2]" 1
561 1 35 TRP QB 1 48 ALA HA . . 4.640 3.413 3.170 3.641 . 0 0 "[ . 1 . 2]" 1
562 1 35 TRP HB2 1 36 LYS H . . 4.540 4.321 4.194 4.437 . 0 0 "[ . 1 . 2]" 1
563 1 35 TRP HB2 1 37 VAL MG1 . . 4.300 3.812 3.597 3.915 . 0 0 "[ . 1 . 2]" 1
564 1 35 TRP HB3 1 36 LYS H . . 4.540 3.228 2.989 3.460 . 0 0 "[ . 1 . 2]" 1
565 1 35 TRP HB3 1 37 VAL MG1 . . 4.300 2.813 2.653 2.929 . 0 0 "[ . 1 . 2]" 1
566 1 35 TRP HD1 1 36 LYS H . . 4.290 4.134 3.989 4.212 . 0 0 "[ . 1 . 2]" 1
567 1 35 TRP HD1 1 48 ALA MB . . 3.880 3.615 3.412 3.816 . 0 0 "[ . 1 . 2]" 1
568 1 35 TRP HE1 1 48 ALA MB . . 4.080 3.973 3.796 4.078 . 0 0 "[ . 1 . 2]" 1
569 1 35 TRP HE3 1 63 VAL MG1 . . 3.600 2.962 2.782 3.175 . 0 0 "[ . 1 . 2]" 1
570 1 35 TRP HZ2 1 48 ALA MB . . 4.460 4.452 4.091 4.481 0.021 12 0 "[ . 1 . 2]" 1
571 1 35 TRP HZ3 1 51 VAL QG . . 4.870 3.927 3.527 4.125 . 0 0 "[ . 1 . 2]" 1
572 1 35 TRP HZ3 1 63 VAL MG1 . . 3.450 2.012 1.970 2.195 . 0 0 "[ . 1 . 2]" 1
573 1 36 LYS H 1 36 LYS QE . . 5.240 4.735 4.110 5.245 0.005 8 0 "[ . 1 . 2]" 1
574 1 36 LYS H 1 37 VAL H . . 5.330 4.408 4.368 4.456 . 0 0 "[ . 1 . 2]" 1
575 1 36 LYS HA 1 36 LYS QG . . 3.640 2.456 2.151 3.083 . 0 0 "[ . 1 . 2]" 1
576 1 36 LYS HA 1 37 VAL MG2 . . 4.140 3.763 3.627 3.906 . 0 0 "[ . 1 . 2]" 1
577 1 36 LYS HA 1 44 GLY H . . 4.590 4.479 4.179 4.605 0.015 17 0 "[ . 1 . 2]" 1
578 1 36 LYS QE 1 36 LYS QG . . 3.430 2.299 2.041 2.659 . 0 0 "[ . 1 . 2]" 1
579 1 37 VAL H 1 37 VAL MG1 . . 4.040 3.051 2.961 3.112 . 0 0 "[ . 1 . 2]" 1
580 1 37 VAL H 1 37 VAL MG2 . . 3.210 2.179 2.040 2.324 . 0 0 "[ . 1 . 2]" 1
581 1 37 VAL H 1 44 GLY H . . 3.980 3.291 3.013 3.449 . 0 0 "[ . 1 . 2]" 1
582 1 37 VAL H 1 45 PHE HA . . 4.090 3.154 2.851 3.485 . 0 0 "[ . 1 . 2]" 1
583 1 37 VAL HA 1 37 VAL MG1 . . 3.200 2.276 2.233 2.339 . 0 0 "[ . 1 . 2]" 1
584 1 37 VAL HA 1 38 GLU H . . 3.040 2.538 2.479 2.594 . 0 0 "[ . 1 . 2]" 1
585 1 37 VAL HB 1 38 GLU H . . 3.060 2.127 2.008 2.238 . 0 0 "[ . 1 . 2]" 1
586 1 37 VAL MG1 1 38 GLU H . . 4.010 3.627 3.519 3.705 . 0 0 "[ . 1 . 2]" 1
587 1 37 VAL MG2 1 38 GLU H . . 3.830 3.076 2.936 3.246 . 0 0 "[ . 1 . 2]" 1
588 1 37 VAL MG2 1 38 GLU HA . . 4.460 3.703 3.491 3.906 . 0 0 "[ . 1 . 2]" 1
589 1 37 VAL MG2 1 46 VAL H . . 4.320 4.045 3.493 4.324 0.004 9 0 "[ . 1 . 2]" 1
590 1 37 VAL MG2 1 46 VAL HA . . 5.470 5.278 5.060 5.425 . 0 0 "[ . 1 . 2]" 1
591 1 37 VAL MG2 1 46 VAL HB . . 4.430 4.385 4.162 4.434 0.004 7 0 "[ . 1 . 2]" 1
592 1 37 VAL MG2 1 46 VAL MG1 . . 3.320 3.134 2.940 3.225 . 0 0 "[ . 1 . 2]" 1
593 1 38 GLU HA 1 38 GLU QG . . 3.740 2.377 2.188 2.526 . 0 0 "[ . 1 . 2]" 1
594 1 38 GLU HA 1 39 VAL H . . 2.790 2.141 2.138 2.146 . 0 0 "[ . 1 . 2]" 1
595 1 38 GLU HA 1 39 VAL MG1 . . 4.410 3.773 3.652 3.895 . 0 0 "[ . 1 . 2]" 1
596 1 38 GLU QB 1 39 VAL H . . 3.980 3.810 3.753 3.866 . 0 0 "[ . 1 . 2]" 1
597 1 38 GLU QG 1 39 VAL H . . 3.510 2.971 2.793 3.267 . 0 0 "[ . 1 . 2]" 1
598 1 38 GLU QG 1 41 ASP H . . 4.310 3.963 3.512 4.313 0.003 19 0 "[ . 1 . 2]" 1
599 1 38 GLU QG 1 41 ASP HA . . 4.800 3.633 3.394 3.826 . 0 0 "[ . 1 . 2]" 1
600 1 38 GLU QG 1 42 ARG H . . 4.400 3.128 2.895 3.494 . 0 0 "[ . 1 . 2]" 1
601 1 39 VAL H 1 39 VAL MG1 . . 3.500 2.166 2.057 2.276 . 0 0 "[ . 1 . 2]" 1
602 1 39 VAL H 1 39 VAL MG2 . . 4.230 3.947 3.920 3.970 . 0 0 "[ . 1 . 2]" 1
603 1 39 VAL H 1 40 ASN H . . 4.640 4.380 4.352 4.434 . 0 0 "[ . 1 . 2]" 1
604 1 39 VAL H 1 42 ARG H . . 3.690 3.131 2.912 3.257 . 0 0 "[ . 1 . 2]" 1
605 1 39 VAL H 1 42 ARG QG . . 5.500 5.217 4.908 5.503 0.003 4 0 "[ . 1 . 2]" 1
606 1 39 VAL HA 1 39 VAL MG1 . . 3.700 3.194 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
607 1 39 VAL HA 1 39 VAL MG2 . . 3.230 2.241 2.186 2.296 . 0 0 "[ . 1 . 2]" 1
608 1 39 VAL HA 1 40 ASN H . . 2.780 2.248 2.235 2.252 . 0 0 "[ . 1 . 2]" 1
609 1 39 VAL HA 1 42 ARG H . . 4.460 4.089 4.061 4.136 . 0 0 "[ . 1 . 2]" 1
610 1 39 VAL HB 1 40 ASN H . . 4.290 4.005 3.978 4.040 . 0 0 "[ . 1 . 2]" 1
611 1 39 VAL MG1 1 40 ASN H . . 4.370 3.710 3.637 3.769 . 0 0 "[ . 1 . 2]" 1
612 1 39 VAL MG1 1 40 ASN HB2 . . 4.850 3.006 2.764 3.179 . 0 0 "[ . 1 . 2]" 1
613 1 39 VAL MG1 1 40 ASN QB . . 4.010 2.964 2.735 3.123 . 0 0 "[ . 1 . 2]" 1
614 1 39 VAL MG1 1 40 ASN HB3 . . 4.850 4.522 4.355 4.645 . 0 0 "[ . 1 . 2]" 1
615 1 39 VAL MG1 1 40 ASN QD . . 4.190 3.498 2.380 4.194 0.004 17 0 "[ . 1 . 2]" 1
616 1 39 VAL MG1 1 42 ARG H . . 4.830 3.962 3.788 4.065 . 0 0 "[ . 1 . 2]" 1
617 1 39 VAL MG1 1 42 ARG QB . . 4.390 3.426 3.126 3.813 . 0 0 "[ . 1 . 2]" 1
618 1 39 VAL MG1 1 44 GLY HA3 . . 5.500 5.373 5.003 5.512 0.012 12 0 "[ . 1 . 2]" 1
619 1 39 VAL MG1 1 46 VAL MG1 . . 3.790 3.778 3.680 3.798 0.008 12 0 "[ . 1 . 2]" 1
620 1 39 VAL MG2 1 40 ASN H . . 3.550 2.038 1.935 2.238 . 0 0 "[ . 1 . 2]" 1
621 1 39 VAL MG2 1 40 ASN HA . . 4.640 3.622 3.576 3.715 . 0 0 "[ . 1 . 2]" 1
622 1 39 VAL MG2 1 40 ASN QB . . 4.040 3.053 2.880 3.329 . 0 0 "[ . 1 . 2]" 1
623 1 39 VAL MG2 1 40 ASN QD . . 4.320 2.887 1.827 3.617 . 0 0 "[ . 1 . 2]" 1
624 1 39 VAL MG2 1 65 ALA MB . . 5.310 4.920 4.554 5.096 . 0 0 "[ . 1 . 2]" 1
625 1 40 ASN H 1 40 ASN HA . . 2.800 2.276 2.274 2.279 . 0 0 "[ . 1 . 2]" 1
626 1 40 ASN H 1 41 ASP H . . 3.690 2.771 2.705 2.876 . 0 0 "[ . 1 . 2]" 1
627 1 40 ASN HA 1 41 ASP H . . 3.550 2.781 2.694 2.839 . 0 0 "[ . 1 . 2]" 1
628 1 40 ASN QB 1 40 ASN QD . . 3.080 2.240 2.069 2.577 . 0 0 "[ . 1 . 2]" 1
629 1 40 ASN HB2 1 41 ASP H . . 4.410 4.280 4.226 4.322 . 0 0 "[ . 1 . 2]" 1
630 1 40 ASN HB3 1 41 ASP H . . 4.410 4.396 4.360 4.451 0.041 18 0 "[ . 1 . 2]" 1
631 1 41 ASP H 1 41 ASP HA . . 2.910 2.275 2.274 2.279 . 0 0 "[ . 1 . 2]" 1
632 1 41 ASP H 1 42 ARG H . . 3.410 2.662 2.608 2.739 . 0 0 "[ . 1 . 2]" 1
633 1 41 ASP QB 1 42 ARG H . . 4.510 3.734 3.667 3.782 . 0 0 "[ . 1 . 2]" 1
634 1 41 ASP QB 1 42 ARG QD . . 4.830 4.545 4.066 4.836 0.006 4 0 "[ . 1 . 2]" 1
635 1 42 ARG H 1 42 ARG HB2 . . 3.830 2.779 2.559 3.006 . 0 0 "[ . 1 . 2]" 1
636 1 42 ARG H 1 42 ARG QB . . 3.170 2.622 2.515 2.688 . 0 0 "[ . 1 . 2]" 1
637 1 42 ARG H 1 42 ARG HB3 . . 3.830 3.455 2.902 3.837 0.007 9 0 "[ . 1 . 2]" 1
638 1 42 ARG H 1 42 ARG QD . . 4.770 4.451 4.243 4.744 . 0 0 "[ . 1 . 2]" 1
639 1 42 ARG H 1 42 ARG QG . . 4.400 3.573 2.929 4.278 . 0 0 "[ . 1 . 2]" 1
640 1 42 ARG H 1 43 GLN H . . 4.450 4.356 4.275 4.465 0.015 7 0 "[ . 1 . 2]" 1
641 1 42 ARG HA 1 42 ARG QD . . 4.410 2.558 2.052 4.014 . 0 0 "[ . 1 . 2]" 1
642 1 42 ARG HA 1 42 ARG QG . . 3.720 2.609 2.329 2.786 . 0 0 "[ . 1 . 2]" 1
643 1 42 ARG HA 1 43 GLN H . . 2.900 2.214 2.161 2.404 . 0 0 "[ . 1 . 2]" 1
644 1 42 ARG QB 1 42 ARG QD . . 3.360 2.172 2.077 2.288 . 0 0 "[ . 1 . 2]" 1
645 1 42 ARG QD 1 43 GLN H . . 4.490 3.553 2.886 4.501 0.011 4 0 "[ . 1 . 2]" 1
646 1 43 GLN H 1 43 GLN HB2 . . 3.960 3.518 2.596 3.809 . 0 0 "[ . 1 . 2]" 1
647 1 43 GLN H 1 43 GLN QB . . 3.170 2.616 2.330 3.007 . 0 0 "[ . 1 . 2]" 1
648 1 43 GLN H 1 43 GLN HB3 . . 3.960 2.755 2.421 3.734 . 0 0 "[ . 1 . 2]" 1
649 1 43 GLN H 1 43 GLN QG . . 4.400 3.104 1.911 4.137 . 0 0 "[ . 1 . 2]" 1
650 1 43 GLN H 1 44 GLY H . . 4.660 4.484 4.405 4.545 . 0 0 "[ . 1 . 2]" 1
651 1 43 GLN HA 1 43 GLN QG . . 3.680 3.247 2.428 3.451 . 0 0 "[ . 1 . 2]" 1
652 1 43 GLN HA 1 44 GLY H . . 2.740 2.199 2.151 2.319 . 0 0 "[ . 1 . 2]" 1
653 1 43 GLN QB 1 43 GLN QE . . 4.030 3.288 1.920 3.704 . 0 0 "[ . 1 . 2]" 1
654 1 43 GLN QB 1 44 GLY H . . 3.850 3.143 2.605 3.766 . 0 0 "[ . 1 . 2]" 1
655 1 43 GLN HB2 1 44 GLY H . . 4.410 3.331 2.661 4.161 . 0 0 "[ . 1 . 2]" 1
656 1 43 GLN HB3 1 44 GLY H . . 4.410 4.138 3.213 4.302 . 0 0 "[ . 1 . 2]" 1
657 1 43 GLN QE 1 43 GLN QG . . 2.990 2.179 2.070 2.575 . 0 0 "[ . 1 . 2]" 1
658 1 43 GLN QG 1 44 GLY H . . 4.830 3.687 2.546 4.500 . 0 0 "[ . 1 . 2]" 1
659 1 44 GLY H 1 45 PHE H . . 5.500 4.374 4.345 4.384 . 0 0 "[ . 1 . 2]" 1
660 1 44 GLY HA2 1 45 PHE H . . 3.490 2.631 2.557 2.732 . 0 0 "[ . 1 . 2]" 1
661 1 44 GLY HA3 1 45 PHE H . . 3.320 2.496 2.406 2.569 . 0 0 "[ . 1 . 2]" 1
662 1 44 GLY HA3 1 45 PHE QD . . 4.160 4.132 3.965 4.169 0.009 17 0 "[ . 1 . 2]" 1
663 1 45 PHE H 1 45 PHE HB2 . . 4.060 2.961 2.427 3.761 . 0 0 "[ . 1 . 2]" 1
664 1 45 PHE H 1 45 PHE QB . . 3.380 2.636 2.393 3.067 . 0 0 "[ . 1 . 2]" 1
665 1 45 PHE H 1 45 PHE HB3 . . 4.060 3.452 2.803 3.730 . 0 0 "[ . 1 . 2]" 1
666 1 45 PHE H 1 45 PHE QD . . 3.700 2.271 2.097 2.648 . 0 0 "[ . 1 . 2]" 1
667 1 45 PHE H 1 46 VAL H . . 4.640 4.508 4.364 4.563 . 0 0 "[ . 1 . 2]" 1
668 1 45 PHE HA 1 45 PHE QD . . 3.750 3.314 3.069 3.726 . 0 0 "[ . 1 . 2]" 1
669 1 45 PHE HA 1 46 VAL H . . 2.870 2.262 2.146 2.359 . 0 0 "[ . 1 . 2]" 1
670 1 45 PHE HA 1 46 VAL MG1 . . 4.710 3.948 3.817 4.095 . 0 0 "[ . 1 . 2]" 1
671 1 45 PHE HA 1 46 VAL MG2 . . 4.870 3.310 3.188 3.459 . 0 0 "[ . 1 . 2]" 1
672 1 45 PHE QB 1 46 VAL H . . 3.520 2.784 2.502 3.218 . 0 0 "[ . 1 . 2]" 1
673 1 46 VAL H 1 46 VAL MG1 . . 3.930 3.344 3.158 3.473 . 0 0 "[ . 1 . 2]" 1
674 1 46 VAL H 1 46 VAL MG2 . . 3.220 2.271 2.023 2.409 . 0 0 "[ . 1 . 2]" 1
675 1 46 VAL HA 1 46 VAL MG1 . . 3.390 2.208 2.079 2.287 . 0 0 "[ . 1 . 2]" 1
676 1 46 VAL HA 1 47 PRO HD2 . . 3.780 2.438 2.429 2.444 . 0 0 "[ . 1 . 2]" 1
677 1 46 VAL HA 1 47 PRO HD3 . . 3.110 2.314 2.310 2.318 . 0 0 "[ . 1 . 2]" 1
678 1 46 VAL HA 1 69 TYR QE . . 3.710 3.551 3.322 3.701 . 0 0 "[ . 1 . 2]" 1
679 1 46 VAL HB 1 47 PRO HD2 . . 3.500 1.969 1.958 1.977 . 0 0 "[ . 1 . 2]" 1
680 1 46 VAL HB 1 47 PRO HD3 . . 3.750 3.423 3.414 3.431 . 0 0 "[ . 1 . 2]" 1
681 1 46 VAL HB 1 69 TYR QD . . 3.920 3.880 3.723 3.921 0.001 18 0 "[ . 1 . 2]" 1
682 1 46 VAL MG1 1 47 PRO HD2 . . 3.990 2.686 2.608 2.772 . 0 0 "[ . 1 . 2]" 1
683 1 46 VAL MG1 1 47 PRO HD3 . . 4.230 3.492 3.421 3.583 . 0 0 "[ . 1 . 2]" 1
684 1 46 VAL MG1 1 69 TYR QD . . 3.320 2.695 2.310 3.084 . 0 0 "[ . 1 . 2]" 1
685 1 46 VAL MG1 1 69 TYR QE . . 3.730 2.977 2.513 3.339 . 0 0 "[ . 1 . 2]" 1
686 1 47 PRO HA 1 48 ALA H . . 2.760 2.174 2.157 2.189 . 0 0 "[ . 1 . 2]" 1
687 1 47 PRO HA 1 48 ALA MB . . 4.670 4.016 3.977 4.035 . 0 0 "[ . 1 . 2]" 1
688 1 47 PRO HB2 1 49 ALA H . . 4.050 2.999 2.805 3.213 . 0 0 "[ . 1 . 2]" 1
689 1 47 PRO HB2 1 49 ALA MB . . 3.370 3.130 2.948 3.310 . 0 0 "[ . 1 . 2]" 1
690 1 47 PRO HB2 1 50 TYR H . . 3.770 2.991 2.859 3.114 . 0 0 "[ . 1 . 2]" 1
691 1 47 PRO HB2 1 50 TYR QD . . 3.590 2.853 2.672 3.025 . 0 0 "[ . 1 . 2]" 1
692 1 47 PRO HB2 1 50 TYR QE . . 5.050 4.145 3.985 4.312 . 0 0 "[ . 1 . 2]" 1
693 1 47 PRO HB3 1 48 ALA H . . 4.560 4.228 4.161 4.278 . 0 0 "[ . 1 . 2]" 1
694 1 47 PRO HD2 1 50 TYR HB2 . . 4.290 3.807 3.700 3.899 . 0 0 "[ . 1 . 2]" 1
695 1 47 PRO HD2 1 69 TYR QE . . 3.780 3.442 2.922 3.723 . 0 0 "[ . 1 . 2]" 1
696 1 47 PRO HD3 1 50 TYR HB2 . . 4.990 4.895 4.855 4.922 . 0 0 "[ . 1 . 2]" 1
697 1 47 PRO HD3 1 69 TYR QD . . 3.890 3.846 3.586 3.894 0.004 1 0 "[ . 1 . 2]" 1
698 1 47 PRO HD3 1 69 TYR QE . . 3.410 3.144 2.751 3.376 . 0 0 "[ . 1 . 2]" 1
699 1 47 PRO HG2 1 50 TYR HB2 . . 4.850 1.992 1.987 1.996 . 0 0 "[ . 1 . 2]" 1
700 1 47 PRO HG2 1 50 TYR QE . . 4.490 4.498 4.491 4.509 0.019 17 0 "[ . 1 . 2]" 1
701 1 47 PRO HG2 1 69 TYR QD . . 4.280 4.102 3.757 4.279 . 0 0 "[ . 1 . 2]" 1
702 1 47 PRO HG2 1 69 TYR QE . . 5.280 4.846 4.359 5.073 . 0 0 "[ . 1 . 2]" 1
703 1 48 ALA H 1 48 ALA MB . . 2.920 2.198 2.101 2.233 . 0 0 "[ . 1 . 2]" 1
704 1 48 ALA H 1 49 ALA H . . 3.470 2.693 2.625 2.731 . 0 0 "[ . 1 . 2]" 1
705 1 48 ALA H 1 49 ALA MB . . 4.870 4.315 4.241 4.384 . 0 0 "[ . 1 . 2]" 1
706 1 48 ALA H 1 50 TYR H . . 4.400 4.192 4.149 4.215 . 0 0 "[ . 1 . 2]" 1
707 1 48 ALA H 1 51 VAL H . . 5.270 5.019 4.949 5.112 . 0 0 "[ . 1 . 2]" 1
708 1 48 ALA HA 1 50 TYR H . . 4.510 3.526 3.438 3.642 . 0 0 "[ . 1 . 2]" 1
709 1 48 ALA HA 1 51 VAL H . . 4.800 3.053 2.986 3.136 . 0 0 "[ . 1 . 2]" 1
710 1 48 ALA HA 1 51 VAL QG . . 3.470 1.940 1.887 2.027 . 0 0 "[ . 1 . 2]" 1
711 1 48 ALA MB 1 49 ALA H . . 3.400 2.881 2.766 3.000 . 0 0 "[ . 1 . 2]" 1
712 1 48 ALA MB 1 49 ALA MB . . 4.680 3.914 3.853 3.958 . 0 0 "[ . 1 . 2]" 1
713 1 49 ALA H 1 49 ALA MB . . 2.840 2.156 2.031 2.242 . 0 0 "[ . 1 . 2]" 1
714 1 49 ALA H 1 50 TYR H . . 3.490 2.592 2.550 2.642 . 0 0 "[ . 1 . 2]" 1
715 1 49 ALA H 1 50 TYR QD . . 4.550 3.972 3.810 4.118 . 0 0 "[ . 1 . 2]" 1
716 1 49 ALA HA 1 51 VAL H . . 4.630 4.202 4.053 4.332 . 0 0 "[ . 1 . 2]" 1
717 1 49 ALA MB 1 50 TYR H . . 4.070 3.111 2.986 3.218 . 0 0 "[ . 1 . 2]" 1
718 1 49 ALA MB 1 50 TYR QD . . 3.720 2.444 2.341 2.625 . 0 0 "[ . 1 . 2]" 1
719 1 49 ALA MB 1 50 TYR QE . . 3.900 3.461 3.304 3.643 . 0 0 "[ . 1 . 2]" 1
720 1 49 ALA MB 1 51 VAL H . . 5.120 4.627 4.563 4.708 . 0 0 "[ . 1 . 2]" 1
721 1 50 TYR H 1 50 TYR HB2 . . 3.210 2.297 2.255 2.350 . 0 0 "[ . 1 . 2]" 1
722 1 50 TYR H 1 50 TYR HB3 . . 3.880 3.548 3.528 3.575 . 0 0 "[ . 1 . 2]" 1
723 1 50 TYR H 1 50 TYR QD . . 3.570 2.749 2.661 2.824 . 0 0 "[ . 1 . 2]" 1
724 1 50 TYR H 1 50 TYR QE . . 5.130 5.043 4.958 5.116 . 0 0 "[ . 1 . 2]" 1
725 1 50 TYR H 1 51 VAL H . . 3.160 2.115 2.010 2.214 . 0 0 "[ . 1 . 2]" 1
726 1 50 TYR H 1 51 VAL QG . . 3.910 3.286 3.201 3.392 . 0 0 "[ . 1 . 2]" 1
727 1 50 TYR HA 1 50 TYR QD . . 3.660 2.672 2.589 2.741 . 0 0 "[ . 1 . 2]" 1
728 1 50 TYR HA 1 50 TYR QE . . 4.490 4.414 4.382 4.444 . 0 0 "[ . 1 . 2]" 1
729 1 50 TYR HA 1 67 TYR QD . . 2.960 1.990 1.983 1.999 . 0 0 "[ . 1 . 2]" 1
730 1 50 TYR HA 1 67 TYR QE . . 3.360 3.371 3.361 3.382 0.022 9 0 "[ . 1 . 2]" 1
731 1 50 TYR HB2 1 51 VAL H . . 4.460 3.152 3.094 3.259 . 0 0 "[ . 1 . 2]" 1
732 1 50 TYR HB2 1 51 VAL QG . . 4.100 3.205 3.125 3.278 . 0 0 "[ . 1 . 2]" 1
733 1 50 TYR HB3 1 51 VAL H . . 4.890 3.719 3.665 3.806 . 0 0 "[ . 1 . 2]" 1
734 1 50 TYR HB3 1 51 VAL QG . . 4.550 3.185 3.042 3.278 . 0 0 "[ . 1 . 2]" 1
735 1 50 TYR HB3 1 67 TYR HB2 . . 3.650 3.008 2.878 3.237 . 0 0 "[ . 1 . 2]" 1
736 1 50 TYR HB3 1 67 TYR QD . . 3.530 3.483 3.411 3.538 0.008 17 0 "[ . 1 . 2]" 1
737 1 50 TYR QD 1 51 VAL H . . 4.480 4.451 4.437 4.464 . 0 0 "[ . 1 . 2]" 1
738 1 50 TYR QD 1 67 TYR HB2 . . 3.960 2.718 2.589 2.841 . 0 0 "[ . 1 . 2]" 1
739 1 50 TYR QD 1 69 TYR HB2 . . 3.290 2.005 1.983 2.045 . 0 0 "[ . 1 . 2]" 1
740 1 50 TYR QD 1 69 TYR HB3 . . 3.310 3.135 2.673 3.314 0.004 4 0 "[ . 1 . 2]" 1
741 1 50 TYR QD 1 69 TYR QD . . 4.190 3.929 3.595 4.062 . 0 0 "[ . 1 . 2]" 1
742 1 50 TYR QE 1 69 TYR HB2 . . 3.480 2.759 2.354 2.971 . 0 0 "[ . 1 . 2]" 1
743 1 50 TYR QE 1 69 TYR QD . . 3.420 3.186 2.734 3.422 0.002 17 0 "[ . 1 . 2]" 1
744 1 51 VAL H 1 51 VAL QG . . 3.040 2.048 1.973 2.108 . 0 0 "[ . 1 . 2]" 1
745 1 51 VAL H 1 52 LYS H . . 4.910 4.425 4.388 4.475 . 0 0 "[ . 1 . 2]" 1
746 1 51 VAL H 1 66 LEU MD1 . . 4.860 4.236 3.792 4.827 . 0 0 "[ . 1 . 2]" 1
747 1 51 VAL H 1 67 TYR QD . . 5.150 4.643 4.571 4.775 . 0 0 "[ . 1 . 2]" 1
748 1 51 VAL HA 1 51 VAL QG . . 3.230 2.247 2.178 2.304 . 0 0 "[ . 1 . 2]" 1
749 1 51 VAL HA 1 52 LYS H . . 3.000 2.621 2.531 2.671 . 0 0 "[ . 1 . 2]" 1
750 1 51 VAL HA 1 52 LYS QB . . 4.910 3.869 3.788 4.002 . 0 0 "[ . 1 . 2]" 1
751 1 51 VAL HA 1 65 ALA HA . . 3.620 2.130 1.992 2.429 . 0 0 "[ . 1 . 2]" 1
752 1 51 VAL HA 1 65 ALA MB . . 5.250 3.585 3.395 3.885 . 0 0 "[ . 1 . 2]" 1
753 1 51 VAL HA 1 66 LEU H . . 3.340 1.961 1.936 2.156 . 0 0 "[ . 1 . 2]" 1
754 1 51 VAL HA 1 66 LEU HG . . 3.750 2.331 1.997 2.908 . 0 0 "[ . 1 . 2]" 1
755 1 51 VAL HA 1 67 TYR QD . . 4.950 4.474 4.374 4.661 . 0 0 "[ . 1 . 2]" 1
756 1 51 VAL HB 1 52 LYS H . . 3.050 2.001 1.948 2.146 . 0 0 "[ . 1 . 2]" 1
757 1 51 VAL HB 1 52 LYS QB . . 4.730 4.514 4.459 4.735 0.005 20 0 "[ . 1 . 2]" 1
758 1 51 VAL HB 1 64 LEU H . . 4.410 4.273 3.952 4.402 . 0 0 "[ . 1 . 2]" 1
759 1 51 VAL HB 1 65 ALA MB . . 4.970 3.756 3.521 3.989 . 0 0 "[ . 1 . 2]" 1
760 1 51 VAL QG 1 52 LYS H . . 4.000 2.781 2.621 2.925 . 0 0 "[ . 1 . 2]" 1
761 1 51 VAL QG 1 65 ALA HA . . 3.330 2.005 1.933 2.115 . 0 0 "[ . 1 . 2]" 1
762 1 51 VAL QG 1 65 ALA MB . . 3.670 2.129 1.945 2.355 . 0 0 "[ . 1 . 2]" 1
763 1 51 VAL QG 1 66 LEU H . . 3.590 2.821 2.641 3.016 . 0 0 "[ . 1 . 2]" 1
764 1 52 LYS H 1 52 LYS QB . . 3.280 2.840 2.764 3.137 . 0 0 "[ . 1 . 2]" 1
765 1 52 LYS H 1 63 VAL HA . . 5.480 4.891 4.655 5.098 . 0 0 "[ . 1 . 2]" 1
766 1 52 LYS H 1 63 VAL HB . . 4.360 3.490 3.285 3.692 . 0 0 "[ . 1 . 2]" 1
767 1 52 LYS H 1 63 VAL MG1 . . 5.030 4.785 4.607 4.970 . 0 0 "[ . 1 . 2]" 1
768 1 52 LYS H 1 63 VAL MG2 . . 4.400 4.178 4.021 4.341 . 0 0 "[ . 1 . 2]" 1
769 1 52 LYS H 1 64 LEU H . . 3.460 3.376 3.108 3.464 0.004 20 0 "[ . 1 . 2]" 1
770 1 52 LYS H 1 64 LEU HA . . 5.160 4.799 4.724 4.927 . 0 0 "[ . 1 . 2]" 1
771 1 52 LYS H 1 65 ALA H . . 5.290 4.817 4.635 4.980 . 0 0 "[ . 1 . 2]" 1
772 1 52 LYS H 1 65 ALA HA . . 4.770 3.290 3.017 3.495 . 0 0 "[ . 1 . 2]" 1
773 1 52 LYS H 1 66 LEU MD1 . . 4.520 3.994 3.565 4.474 . 0 0 "[ . 1 . 2]" 1
774 1 52 LYS H 1 66 LEU MD2 . . 4.490 3.721 3.253 4.408 . 0 0 "[ . 1 . 2]" 1
775 1 52 LYS H 1 66 LEU HG . . 4.280 3.202 2.982 3.600 . 0 0 "[ . 1 . 2]" 1
776 1 52 LYS HA 1 53 LYS H . . 2.690 2.169 2.145 2.202 . 0 0 "[ . 1 . 2]" 1
777 1 52 LYS QB 1 53 LYS H . . 4.160 3.666 3.059 3.785 . 0 0 "[ . 1 . 2]" 1
778 1 52 LYS QB 1 66 LEU MD1 . . 3.250 1.943 1.864 2.235 . 0 0 "[ . 1 . 2]" 1
779 1 52 LYS QB 1 66 LEU MD2 . . 3.330 2.143 1.838 3.336 0.006 20 0 "[ . 1 . 2]" 1
780 1 52 LYS QE 1 66 LEU MD2 . . 4.410 3.687 2.052 4.371 . 0 0 "[ . 1 . 2]" 1
781 1 53 LYS H 1 53 LYS QB . . 3.030 2.414 2.119 2.637 . 0 0 "[ . 1 . 2]" 1
782 1 53 LYS H 1 53 LYS QG . . 4.310 2.819 1.926 3.978 . 0 0 "[ . 1 . 2]" 1
783 1 53 LYS H 1 63 VAL HB . . 4.020 3.961 3.817 4.045 0.025 20 0 "[ . 1 . 2]" 1
784 1 53 LYS H 1 63 VAL MG1 . . 4.350 3.677 3.588 3.874 . 0 0 "[ . 1 . 2]" 1
785 1 53 LYS HA 1 54 LEU H . . 2.730 2.252 2.169 2.288 . 0 0 "[ . 1 . 2]" 1
786 1 53 LYS HA 1 63 VAL HA . . 3.400 2.155 1.994 2.340 . 0 0 "[ . 1 . 2]" 1
787 1 53 LYS HA 1 63 VAL MG1 . . 2.990 1.973 1.940 2.083 . 0 0 "[ . 1 . 2]" 1
788 1 53 LYS HA 1 64 LEU H . . 4.300 3.314 3.112 3.498 . 0 0 "[ . 1 . 2]" 1
789 1 53 LYS QB 1 63 VAL MG1 . . 3.340 2.664 2.102 3.216 . 0 0 "[ . 1 . 2]" 1
790 1 53 LYS HB2 1 63 VAL MG1 . . 4.060 3.128 2.350 4.053 . 0 0 "[ . 1 . 2]" 1
791 1 53 LYS HB3 1 63 VAL MG1 . . 4.060 3.183 2.202 4.060 . 0 0 "[ . 1 . 2]" 1
792 1 53 LYS QG 1 63 VAL HA . . 5.150 4.246 3.320 5.139 . 0 0 "[ . 1 . 2]" 1
793 1 53 LYS QG 1 63 VAL HB . . 4.980 4.432 3.615 4.997 0.017 17 0 "[ . 1 . 2]" 1
794 1 54 LEU H 1 54 LEU QB . . 3.130 2.597 2.480 3.052 . 0 0 "[ . 1 . 2]" 1
795 1 54 LEU H 1 54 LEU QD . . 4.580 3.617 2.173 3.967 . 0 0 "[ . 1 . 2]" 1
796 1 54 LEU H 1 55 ASP H . . 4.490 4.077 3.728 4.425 . 0 0 "[ . 1 . 2]" 1
797 1 54 LEU H 1 55 ASP HA . . 5.070 4.897 4.648 5.100 0.030 20 0 "[ . 1 . 2]" 1
798 1 54 LEU H 1 63 VAL HA . . 3.380 2.213 1.969 2.538 . 0 0 "[ . 1 . 2]" 1
799 1 54 LEU H 1 63 VAL HB . . 4.300 4.168 3.982 4.304 0.004 3 0 "[ . 1 . 2]" 1
800 1 54 LEU H 1 63 VAL MG1 . . 3.900 2.943 2.824 3.055 . 0 0 "[ . 1 . 2]" 1
801 1 54 LEU H 1 64 LEU H . . 4.640 3.697 3.385 4.084 . 0 0 "[ . 1 . 2]" 1
802 1 54 LEU HA 1 54 LEU QD . . 3.570 2.635 2.016 3.372 . 0 0 "[ . 1 . 2]" 1
803 1 54 LEU HA 1 54 LEU HG . . 3.730 2.805 2.220 3.669 . 0 0 "[ . 1 . 2]" 1
804 1 54 LEU HA 1 55 ASP H . . 3.170 2.268 2.142 2.562 . 0 0 "[ . 1 . 2]" 1
805 1 54 LEU QB 1 55 ASP H . . 4.330 3.514 2.184 4.009 . 0 0 "[ . 1 . 2]" 1
806 1 54 LEU QD 1 55 ASP H . . 3.800 3.356 1.967 3.800 0.000 3 0 "[ . 1 . 2]" 1
807 1 54 LEU QD 1 55 ASP QB . . 5.030 4.726 4.114 5.035 0.005 15 0 "[ . 1 . 2]" 1
808 1 54 LEU QD 1 63 VAL HA . . 4.170 3.873 1.892 4.180 0.010 17 0 "[ . 1 . 2]" 1
809 1 54 LEU QD 1 64 LEU H . . 4.090 3.406 1.940 3.941 . 0 0 "[ . 1 . 2]" 1
810 1 54 LEU HG 1 55 ASP H . . 4.030 3.553 2.630 4.025 . 0 0 "[ . 1 . 2]" 1
811 1 55 ASP H 1 55 ASP HB2 . . 4.020 3.453 2.537 4.019 . 0 0 "[ . 1 . 2]" 1
812 1 55 ASP H 1 55 ASP QB . . 3.190 2.906 2.493 3.191 0.001 19 0 "[ . 1 . 2]" 1
813 1 55 ASP H 1 55 ASP HB3 . . 4.020 3.342 2.670 3.965 . 0 0 "[ . 1 . 2]" 1
814 1 55 ASP HA 1 56 SER H . . 2.890 2.239 2.139 2.445 . 0 0 "[ . 1 . 2]" 1
815 1 55 ASP HA 1 57 GLY H . . 4.140 3.781 3.255 4.143 0.003 20 0 "[ . 1 . 2]" 1
816 1 55 ASP HA 1 58 THR MG . . 5.010 3.704 2.765 4.740 . 0 0 "[ . 1 . 2]" 1
817 1 55 ASP QB 1 56 SER H . . 4.200 3.182 2.395 3.996 . 0 0 "[ . 1 . 2]" 1
818 1 55 ASP QB 1 57 GLY H . . 4.590 3.423 2.468 4.224 . 0 0 "[ . 1 . 2]" 1
819 1 55 ASP QB 1 58 THR MG . . 4.650 4.023 3.157 4.518 . 0 0 "[ . 1 . 2]" 1
820 1 55 ASP HB2 1 58 THR MG . . 5.390 4.531 3.246 5.391 0.001 8 0 "[ . 1 . 2]" 1
821 1 55 ASP HB3 1 58 THR MG . . 5.390 4.813 3.728 5.390 . 0 0 "[ . 1 . 2]" 1
822 1 56 SER H 1 56 SER HB2 . . 3.930 2.707 2.204 3.571 . 0 0 "[ . 1 . 2]" 1
823 1 56 SER H 1 56 SER QB . . 3.410 2.532 2.182 3.065 . 0 0 "[ . 1 . 2]" 1
824 1 56 SER H 1 56 SER HB3 . . 3.930 3.400 2.551 3.864 . 0 0 "[ . 1 . 2]" 1
825 1 56 SER H 1 57 GLY H . . 3.400 2.239 1.900 2.718 . 0 0 "[ . 1 . 2]" 1
826 1 56 SER H 1 58 THR H . . 4.130 3.376 2.636 4.140 0.010 20 0 "[ . 1 . 2]" 1
827 1 56 SER HA 1 57 GLY H . . 3.530 3.286 2.960 3.519 . 0 0 "[ . 1 . 2]" 1
828 1 56 SER QB 1 57 GLY QA . . 4.170 3.999 3.778 4.199 0.029 3 0 "[ . 1 . 2]" 1
829 1 56 SER QB 1 58 THR H . . 4.960 4.098 3.082 4.700 . 0 0 "[ . 1 . 2]" 1
830 1 56 SER QB 1 58 THR MG . . 4.500 3.623 2.504 4.511 0.011 20 0 "[ . 1 . 2]" 1
831 1 56 SER HB2 1 58 THR MG . . 5.230 3.968 2.583 5.227 . 0 0 "[ . 1 . 2]" 1
832 1 56 SER HB3 1 58 THR MG . . 5.230 4.623 2.974 5.235 0.005 3 0 "[ . 1 . 2]" 1
833 1 57 GLY H 1 58 THR H . . 3.480 2.225 1.899 2.863 . 0 0 "[ . 1 . 2]" 1
834 1 57 GLY H 1 59 GLY H . . 4.530 3.697 2.888 4.318 . 0 0 "[ . 1 . 2]" 1
835 1 57 GLY QA 1 58 THR H . . 3.170 2.751 2.592 2.895 . 0 0 "[ . 1 . 2]" 1
836 1 58 THR H 1 58 THR HB . . 3.960 3.047 2.546 3.692 . 0 0 "[ . 1 . 2]" 1
837 1 58 THR H 1 58 THR MG . . 3.660 2.079 1.927 2.416 . 0 0 "[ . 1 . 2]" 1
838 1 58 THR H 1 59 GLY H . . 3.430 2.208 1.900 2.779 . 0 0 "[ . 1 . 2]" 1
839 1 58 THR H 1 59 GLY QA . . 5.020 4.174 3.894 4.634 . 0 0 "[ . 1 . 2]" 1
840 1 58 THR HA 1 58 THR MG . . 3.500 3.113 2.383 3.206 . 0 0 "[ . 1 . 2]" 1
841 1 58 THR HA 1 59 GLY H . . 3.540 3.490 3.459 3.532 . 0 0 "[ . 1 . 2]" 1
842 1 58 THR HB 1 59 GLY H . . 4.260 4.106 3.869 4.205 . 0 0 "[ . 1 . 2]" 1
843 1 58 THR MG 1 59 GLY H . . 4.270 2.261 1.928 3.832 . 0 0 "[ . 1 . 2]" 1
844 1 59 GLY H 1 60 LYS H . . 3.450 2.845 2.347 3.206 . 0 0 "[ . 1 . 2]" 1
845 1 59 GLY QA 1 60 LYS HA . . 4.890 4.054 3.991 4.127 . 0 0 "[ . 1 . 2]" 1
846 1 59 GLY QA 1 60 LYS QB . . 5.190 4.441 4.177 4.690 . 0 0 "[ . 1 . 2]" 1
847 1 60 LYS H 1 60 LYS QD . . 3.650 3.138 1.959 3.651 0.001 20 0 "[ . 1 . 2]" 1
848 1 60 LYS H 1 60 LYS QG . . 3.930 3.127 1.952 3.924 . 0 0 "[ . 1 . 2]" 1
849 1 60 LYS H 1 61 GLU H . . 4.870 4.598 4.377 4.648 . 0 0 "[ . 1 . 2]" 1
850 1 60 LYS HA 1 61 GLU H . . 2.740 2.422 2.215 2.676 . 0 0 "[ . 1 . 2]" 1
851 1 60 LYS QD 1 61 GLU H . . 4.590 4.205 3.368 4.584 . 0 0 "[ . 1 . 2]" 1
852 1 60 LYS QE 1 62 LEU MD2 . . 5.160 4.469 2.460 5.158 . 0 0 "[ . 1 . 2]" 1
853 1 60 LYS QG 1 61 GLU H . . 4.930 3.211 2.270 4.549 . 0 0 "[ . 1 . 2]" 1
854 1 61 GLU H 1 61 GLU QB . . 3.330 2.665 2.341 3.060 . 0 0 "[ . 1 . 2]" 1
855 1 61 GLU H 1 61 GLU HG2 . . 4.160 3.093 1.991 4.094 . 0 0 "[ . 1 . 2]" 1
856 1 61 GLU H 1 61 GLU QG . . 3.480 2.569 1.951 3.167 . 0 0 "[ . 1 . 2]" 1
857 1 61 GLU H 1 61 GLU HG3 . . 4.160 3.045 2.110 4.040 . 0 0 "[ . 1 . 2]" 1
858 1 61 GLU H 1 62 LEU H . . 5.020 3.803 3.430 4.138 . 0 0 "[ . 1 . 2]" 1
859 1 61 GLU H 1 62 LEU HB3 . . 4.830 4.613 4.209 4.830 . 0 0 "[ . 1 . 2]" 1
860 1 61 GLU HA 1 62 LEU H . . 2.970 2.305 2.171 2.441 . 0 0 "[ . 1 . 2]" 1
861 1 61 GLU QB 1 63 VAL MG1 . . 5.500 4.407 4.004 5.152 . 0 0 "[ . 1 . 2]" 1
862 1 61 GLU QG 1 62 LEU H . . 4.900 4.504 4.271 4.774 . 0 0 "[ . 1 . 2]" 1
863 1 61 GLU QG 1 62 LEU MD2 . . 5.340 4.905 4.062 5.276 . 0 0 "[ . 1 . 2]" 1
864 1 62 LEU H 1 62 LEU HB2 . . 4.110 3.762 3.697 3.845 . 0 0 "[ . 1 . 2]" 1
865 1 62 LEU H 1 62 LEU HB3 . . 3.480 3.045 2.805 3.406 . 0 0 "[ . 1 . 2]" 1
866 1 62 LEU H 1 62 LEU MD1 . . 4.310 4.036 3.923 4.137 . 0 0 "[ . 1 . 2]" 1
867 1 62 LEU H 1 62 LEU MD2 . . 3.870 2.089 1.941 2.252 . 0 0 "[ . 1 . 2]" 1
868 1 62 LEU H 1 62 LEU HG . . 3.530 2.757 2.541 2.937 . 0 0 "[ . 1 . 2]" 1
869 1 62 LEU HA 1 62 LEU MD2 . . 3.740 3.595 3.518 3.676 . 0 0 "[ . 1 . 2]" 1
870 1 62 LEU HA 1 62 LEU HG . . 4.060 3.684 3.660 3.706 . 0 0 "[ . 1 . 2]" 1
871 1 62 LEU HA 1 63 VAL H . . 2.890 2.288 2.221 2.541 . 0 0 "[ . 1 . 2]" 1
872 1 62 LEU HA 1 63 VAL MG1 . . 4.570 3.507 3.351 3.556 . 0 0 "[ . 1 . 2]" 1
873 1 62 LEU HB2 1 62 LEU MD1 . . 2.890 2.155 2.000 2.233 . 0 0 "[ . 1 . 2]" 1
874 1 62 LEU HB2 1 62 LEU MD2 . . 3.360 3.125 3.116 3.140 . 0 0 "[ . 1 . 2]" 1
875 1 62 LEU HB2 1 63 VAL H . . 3.470 2.730 2.115 2.936 . 0 0 "[ . 1 . 2]" 1
876 1 62 LEU HB2 1 63 VAL HA . . 5.500 4.538 4.328 4.625 . 0 0 "[ . 1 . 2]" 1
877 1 62 LEU HB3 1 62 LEU MD2 . . 3.260 2.056 2.018 2.135 . 0 0 "[ . 1 . 2]" 1
878 1 62 LEU HB3 1 63 VAL H . . 4.190 3.936 3.496 4.077 . 0 0 "[ . 1 . 2]" 1
879 1 62 LEU MD1 1 63 VAL H . . 4.250 4.110 3.587 4.250 0.000 17 0 "[ . 1 . 2]" 1
880 1 62 LEU HG 1 63 VAL H . . 4.410 4.044 3.777 4.269 . 0 0 "[ . 1 . 2]" 1
881 1 62 LEU HG 1 63 VAL HA . . 4.340 4.064 3.837 4.342 0.002 20 0 "[ . 1 . 2]" 1
882 1 63 VAL H 1 63 VAL MG1 . . 3.770 2.878 2.798 2.946 . 0 0 "[ . 1 . 2]" 1
883 1 63 VAL H 1 63 VAL MG2 . . 2.990 2.190 2.101 2.291 . 0 0 "[ . 1 . 2]" 1
884 1 63 VAL H 1 64 LEU H . . 4.670 4.425 4.360 4.485 . 0 0 "[ . 1 . 2]" 1
885 1 63 VAL HA 1 63 VAL MG1 . . 3.160 2.322 2.307 2.354 . 0 0 "[ . 1 . 2]" 1
886 1 63 VAL HA 1 64 LEU H . . 2.950 2.247 2.186 2.362 . 0 0 "[ . 1 . 2]" 1
887 1 63 VAL HA 1 64 LEU HA . . 4.630 4.395 4.379 4.439 . 0 0 "[ . 1 . 2]" 1
888 1 63 VAL HA 1 64 LEU QB . . 5.340 3.959 3.880 4.000 . 0 0 "[ . 1 . 2]" 1
889 1 63 VAL HB 1 64 LEU H . . 3.350 2.831 2.505 3.050 . 0 0 "[ . 1 . 2]" 1
890 1 63 VAL MG1 1 64 LEU H . . 4.160 3.916 3.808 4.013 . 0 0 "[ . 1 . 2]" 1
891 1 63 VAL MG2 1 64 LEU H . . 4.400 3.601 3.384 3.786 . 0 0 "[ . 1 . 2]" 1
892 1 64 LEU H 1 64 LEU HB2 . . 3.510 2.935 2.525 3.353 . 0 0 "[ . 1 . 2]" 1
893 1 64 LEU H 1 64 LEU QB . . 2.940 2.408 2.302 2.535 . 0 0 "[ . 1 . 2]" 1
894 1 64 LEU H 1 64 LEU HB3 . . 3.510 2.617 2.374 2.922 . 0 0 "[ . 1 . 2]" 1
895 1 64 LEU H 1 64 LEU HG . . 4.760 4.498 4.197 4.646 . 0 0 "[ . 1 . 2]" 1
896 1 64 LEU HA 1 64 LEU QD . . 3.140 2.631 2.126 3.152 0.012 5 0 "[ . 1 . 2]" 1
897 1 64 LEU HA 1 65 ALA H . . 2.710 2.226 2.181 2.351 . 0 0 "[ . 1 . 2]" 1
898 1 64 LEU HA 1 65 ALA MB . . 4.510 3.932 3.908 3.959 . 0 0 "[ . 1 . 2]" 1
899 1 64 LEU QB 1 65 ALA H . . 4.020 3.525 3.203 3.632 . 0 0 "[ . 1 . 2]" 1
900 1 64 LEU QD 1 65 ALA H . . 3.150 2.888 1.927 3.155 0.005 16 0 "[ . 1 . 2]" 1
901 1 64 LEU HG 1 65 ALA H . . 4.000 2.428 2.074 3.149 . 0 0 "[ . 1 . 2]" 1
902 1 64 LEU HG 1 65 ALA MB . . 4.750 3.825 3.553 4.230 . 0 0 "[ . 1 . 2]" 1
903 1 65 ALA H 1 65 ALA MB . . 2.900 2.073 2.052 2.133 . 0 0 "[ . 1 . 2]" 1
904 1 65 ALA HA 1 66 LEU H . . 2.880 2.228 2.184 2.313 . 0 0 "[ . 1 . 2]" 1
905 1 65 ALA HA 1 66 LEU HG . . 4.930 3.639 3.450 3.936 . 0 0 "[ . 1 . 2]" 1
906 1 65 ALA MB 1 66 LEU H . . 3.760 2.897 2.704 3.028 . 0 0 "[ . 1 . 2]" 1
907 1 65 ALA MB 1 66 LEU HG . . 5.500 4.756 4.542 5.012 . 0 0 "[ . 1 . 2]" 1
908 1 65 ALA MB 1 67 TYR H . . 3.910 3.590 3.421 3.824 . 0 0 "[ . 1 . 2]" 1
909 1 66 LEU H 1 66 LEU HB2 . . 3.410 2.582 2.425 2.697 . 0 0 "[ . 1 . 2]" 1
910 1 66 LEU H 1 66 LEU MD2 . . 4.100 3.473 3.245 3.806 . 0 0 "[ . 1 . 2]" 1
911 1 66 LEU H 1 66 LEU HG . . 3.690 2.568 2.238 3.049 . 0 0 "[ . 1 . 2]" 1
912 1 66 LEU H 1 67 TYR H . . 3.050 2.190 2.046 2.317 . 0 0 "[ . 1 . 2]" 1
913 1 66 LEU H 1 67 TYR QD . . 4.070 3.712 3.601 3.969 . 0 0 "[ . 1 . 2]" 1
914 1 66 LEU HA 1 66 LEU MD2 . . 2.930 2.160 1.958 2.438 . 0 0 "[ . 1 . 2]" 1
915 1 66 LEU HB2 1 66 LEU MD2 . . 3.340 3.184 3.155 3.194 . 0 0 "[ . 1 . 2]" 1
916 1 66 LEU HB2 1 67 TYR H . . 3.960 2.523 2.383 2.661 . 0 0 "[ . 1 . 2]" 1
917 1 66 LEU HB2 1 67 TYR QD . . 3.410 2.285 2.159 2.434 . 0 0 "[ . 1 . 2]" 1
918 1 66 LEU HB2 1 67 TYR QE . . 3.600 2.897 2.751 2.999 . 0 0 "[ . 1 . 2]" 1
919 1 66 LEU HB3 1 66 LEU MD2 . . 2.710 2.324 2.201 2.400 . 0 0 "[ . 1 . 2]" 1
920 1 66 LEU HB3 1 67 TYR H . . 4.390 3.690 3.554 3.789 . 0 0 "[ . 1 . 2]" 1
921 1 66 LEU MD1 1 67 TYR H . . 4.900 4.413 4.020 4.642 . 0 0 "[ . 1 . 2]" 1
922 1 66 LEU MD1 1 67 TYR QD . . 3.960 3.628 3.173 3.876 . 0 0 "[ . 1 . 2]" 1
923 1 66 LEU MD1 1 67 TYR QE . . 3.250 2.671 2.378 2.926 . 0 0 "[ . 1 . 2]" 1
924 1 66 LEU HG 1 67 TYR H . . 4.410 4.121 3.870 4.398 . 0 0 "[ . 1 . 2]" 1
925 1 67 TYR H 1 67 TYR HB2 . . 3.490 2.655 2.610 2.775 . 0 0 "[ . 1 . 2]" 1
926 1 67 TYR H 1 67 TYR HB3 . . 4.130 3.754 3.725 3.816 . 0 0 "[ . 1 . 2]" 1
927 1 67 TYR H 1 67 TYR QD . . 3.050 2.384 2.282 2.543 . 0 0 "[ . 1 . 2]" 1
928 1 67 TYR H 1 67 TYR QE . . 4.770 4.437 4.358 4.568 . 0 0 "[ . 1 . 2]" 1
929 1 67 TYR H 1 68 ASP H . . 4.550 4.468 4.389 4.517 . 0 0 "[ . 1 . 2]" 1
930 1 67 TYR HA 1 67 TYR QD . . 4.090 3.093 3.010 3.114 . 0 0 "[ . 1 . 2]" 1
931 1 67 TYR HA 1 68 ASP H . . 2.830 2.475 2.230 2.688 . 0 0 "[ . 1 . 2]" 1
932 1 67 TYR HB2 1 68 ASP H . . 3.820 3.370 2.981 3.820 . 0 0 "[ . 1 . 2]" 1
933 1 67 TYR HB3 1 68 ASP H . . 3.290 2.345 1.959 2.931 . 0 0 "[ . 1 . 2]" 1
934 1 67 TYR QD 1 68 ASP H . . 4.690 3.960 3.748 4.308 . 0 0 "[ . 1 . 2]" 1
935 1 68 ASP H 1 68 ASP HB2 . . 3.840 3.236 2.324 3.711 . 0 0 "[ . 1 . 2]" 1
936 1 68 ASP H 1 68 ASP QB . . 2.960 2.556 2.256 2.911 . 0 0 "[ . 1 . 2]" 1
937 1 68 ASP H 1 68 ASP HB3 . . 3.840 2.746 2.391 3.567 . 0 0 "[ . 1 . 2]" 1
938 1 68 ASP HA 1 69 TYR H . . 2.980 2.156 2.139 2.200 . 0 0 "[ . 1 . 2]" 1
939 1 68 ASP HB2 1 69 TYR H . . 4.320 3.719 3.066 4.321 0.001 4 0 "[ . 1 . 2]" 1
940 1 68 ASP HB3 1 69 TYR H . . 4.320 4.138 3.242 4.321 0.001 6 0 "[ . 1 . 2]" 1
941 1 69 TYR H 1 69 TYR HB2 . . 4.110 3.360 3.208 3.494 . 0 0 "[ . 1 . 2]" 1
942 1 69 TYR H 1 69 TYR HB3 . . 3.410 2.795 2.590 2.967 . 0 0 "[ . 1 . 2]" 1
943 1 69 TYR H 1 69 TYR QD . . 4.440 4.379 4.278 4.437 . 0 0 "[ . 1 . 2]" 1
944 1 69 TYR HA 1 69 TYR QD . . 2.920 2.494 2.305 2.750 . 0 0 "[ . 1 . 2]" 1
945 1 69 TYR HA 1 70 GLN H . . 3.000 2.246 2.180 2.281 . 0 0 "[ . 1 . 2]" 1
946 1 69 TYR QD 1 70 GLN H . . 3.100 2.735 2.329 3.101 0.001 15 0 "[ . 1 . 2]" 1
947 1 69 TYR QD 1 70 GLN HE21 . . 4.670 4.016 3.344 4.451 . 0 0 "[ . 1 . 2]" 1
948 1 69 TYR QD 1 70 GLN QE . . 3.840 3.642 3.231 3.846 0.006 7 0 "[ . 1 . 2]" 1
949 1 69 TYR QD 1 70 GLN HE22 . . 4.670 4.239 3.625 4.653 . 0 0 "[ . 1 . 2]" 1
950 1 69 TYR QD 1 71 GLU HA . . 4.990 4.840 4.593 4.997 0.007 1 0 "[ . 1 . 2]" 1
951 1 69 TYR QE 1 71 GLU HA . . 3.850 3.604 3.398 3.740 . 0 0 "[ . 1 . 2]" 1
952 1 69 TYR QE 1 72 LYS H . . 4.650 4.311 3.678 4.647 . 0 0 "[ . 1 . 2]" 1
953 1 70 GLN H 1 70 GLN HB2 . . 4.050 3.236 2.382 3.888 . 0 0 "[ . 1 . 2]" 1
954 1 70 GLN H 1 70 GLN HB3 . . 4.050 3.539 3.081 3.827 . 0 0 "[ . 1 . 2]" 1
955 1 70 GLN H 1 70 GLN QG . . 4.240 2.942 2.345 3.800 . 0 0 "[ . 1 . 2]" 1
956 1 70 GLN H 1 71 GLU H . . 4.700 4.423 4.162 4.539 . 0 0 "[ . 1 . 2]" 1
957 1 70 GLN HA 1 70 GLN QG . . 4.010 2.967 2.409 3.462 . 0 0 "[ . 1 . 2]" 1
958 1 70 GLN HA 1 71 GLU H . . 2.880 2.288 2.140 2.374 . 0 0 "[ . 1 . 2]" 1
959 1 70 GLN HA 1 71 GLU HA . . 4.380 4.317 4.290 4.379 . 0 0 "[ . 1 . 2]" 1
960 1 70 GLN QG 1 71 GLU H . . 4.500 4.002 3.556 4.404 . 0 0 "[ . 1 . 2]" 1
961 1 71 GLU H 1 71 GLU QB . . 3.010 2.451 2.238 2.630 . 0 0 "[ . 1 . 2]" 1
962 1 71 GLU H 1 71 GLU QG . . 3.370 2.305 1.932 3.195 . 0 0 "[ . 1 . 2]" 1
963 1 71 GLU HA 1 71 GLU QG . . 3.810 3.155 2.183 3.445 . 0 0 "[ . 1 . 2]" 1
964 1 71 GLU HA 1 72 LYS H . . 2.840 2.180 2.138 2.252 . 0 0 "[ . 1 . 2]" 1
965 1 71 GLU HA 1 72 LYS HA . . 4.510 4.402 4.365 4.439 . 0 0 "[ . 1 . 2]" 1
966 1 71 GLU QB 1 72 LYS H . . 3.740 3.116 2.815 3.738 . 0 0 "[ . 1 . 2]" 1
967 1 71 GLU QG 1 72 LYS H . . 4.490 4.095 3.595 4.485 . 0 0 "[ . 1 . 2]" 1
968 1 72 LYS H 1 72 LYS QB . . 3.430 2.712 2.337 3.308 . 0 0 "[ . 1 . 2]" 1
969 1 72 LYS H 1 72 LYS QG . . 4.500 3.424 1.964 4.356 . 0 0 "[ . 1 . 2]" 1
970 1 72 LYS H 1 73 SER H . . 4.030 3.284 2.292 4.033 0.003 1 0 "[ . 1 . 2]" 1
971 1 72 LYS HA 1 73 SER H . . 3.130 2.551 2.140 3.024 . 0 0 "[ . 1 . 2]" 1
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