NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
449487 |
2ov6   |
15046 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ov6
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 850
_Distance_constraint_stats_list.Viol_count 812
_Distance_constraint_stats_list.Viol_total 570.549
_Distance_constraint_stats_list.Viol_max 0.782
_Distance_constraint_stats_list.Viol_rms 0.0371
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0703
_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 0.545 0.256 3 0 "[ . 1]"
1 2 GLU 0.715 0.167 3 0 "[ . 1]"
1 3 LEU 1.841 0.228 3 0 "[ . 1]"
1 4 ALA 3.056 0.342 1 0 "[ . 1]"
1 5 VAL 3.505 0.342 1 0 "[ . 1]"
1 6 ILE 1.273 0.207 7 0 "[ . 1]"
1 7 GLY 1.586 0.286 9 0 "[ . 1]"
1 8 LYS 1.569 0.286 9 0 "[ . 1]"
1 9 SER 0.761 0.094 8 0 "[ . 1]"
1 10 GLU 0.000 0.000 . 0 "[ . 1]"
1 11 PHE 0.341 0.081 10 0 "[ . 1]"
1 12 VAL 0.570 0.094 8 0 "[ . 1]"
1 13 THR 0.000 0.000 . 0 "[ . 1]"
1 14 GLY 0.000 0.000 . 0 "[ . 1]"
1 15 PHE 1.377 0.303 8 0 "[ . 1]"
1 16 ARG 2.373 0.550 7 3 "[ * +- 1]"
1 17 LEU 0.000 0.000 . 0 "[ . 1]"
1 18 ALA 0.233 0.089 8 0 "[ . 1]"
1 19 GLY 0.000 0.000 . 0 "[ . 1]"
1 20 ILE 3.428 0.477 9 0 "[ . 1]"
1 21 SER 2.072 0.477 9 0 "[ . 1]"
1 22 LYS 3.086 0.270 10 0 "[ . 1]"
1 23 VAL 3.935 0.550 7 3 "[ * +- 1]"
1 24 TYR 1.905 0.224 9 0 "[ . 1]"
1 25 GLU 1.019 0.151 10 0 "[ . 1]"
1 26 THR 1.541 0.098 10 0 "[ . 1]"
1 27 PRO 0.052 0.026 5 0 "[ . 1]"
1 28 ASP 1.081 0.122 3 0 "[ . 1]"
1 29 ILE 0.390 0.132 6 0 "[ . 1]"
1 30 PRO 0.000 0.000 . 0 "[ . 1]"
1 31 ALA 1.112 0.122 3 0 "[ . 1]"
1 32 THR 0.286 0.050 5 0 "[ . 1]"
1 33 GLU 0.278 0.036 5 0 "[ . 1]"
1 34 SER 0.050 0.014 8 0 "[ . 1]"
1 35 ALA 0.682 0.084 3 0 "[ . 1]"
1 36 VAL 0.986 0.129 10 0 "[ . 1]"
1 37 ARG 0.635 0.108 6 0 "[ . 1]"
1 38 SER 0.060 0.029 3 0 "[ . 1]"
1 39 VAL 0.350 0.063 1 0 "[ . 1]"
1 40 LEU 1.695 0.157 3 0 "[ . 1]"
1 41 GLU 0.743 0.112 10 0 "[ . 1]"
1 42 ASP 1.143 0.164 10 0 "[ . 1]"
1 43 LYS 0.836 0.164 10 0 "[ . 1]"
1 44 SER 1.110 0.152 10 0 "[ . 1]"
1 45 VAL 0.357 0.054 3 0 "[ . 1]"
1 46 GLY 0.143 0.073 3 0 "[ . 1]"
1 47 ILE 0.799 0.256 3 0 "[ . 1]"
1 48 LEU 0.789 0.190 1 0 "[ . 1]"
1 49 VAL 0.570 0.170 3 0 "[ . 1]"
1 50 MET 7.142 0.782 7 10 [****-*+***]
1 51 HIS 4.143 0.451 10 0 "[ . 1]"
1 52 ASN 1.432 0.240 4 0 "[ . 1]"
1 53 ASP 1.410 0.451 10 0 "[ . 1]"
1 54 ASP 1.886 0.284 10 0 "[ . 1]"
1 55 ILE 2.244 0.243 9 0 "[ . 1]"
1 56 GLY 2.876 0.262 6 0 "[ . 1]"
1 57 ASN 2.211 0.407 6 0 "[ . 1]"
1 58 LEU 2.636 0.355 9 0 "[ . 1]"
1 59 PRO 0.704 0.220 9 0 "[ . 1]"
1 60 GLU 0.132 0.110 9 0 "[ . 1]"
1 61 VAL 0.623 0.220 9 0 "[ . 1]"
1 62 LEU 0.952 0.147 9 0 "[ . 1]"
1 63 ARG 3.908 0.243 9 0 "[ . 1]"
1 64 LYS 0.730 0.148 4 0 "[ . 1]"
1 65 ASN 0.192 0.039 9 0 "[ . 1]"
1 66 LEU 1.709 0.111 4 0 "[ . 1]"
1 67 ASN 0.666 0.059 10 0 "[ . 1]"
1 68 GLU 0.920 0.148 4 0 "[ . 1]"
1 69 SER 0.367 0.056 3 0 "[ . 1]"
1 70 VAL 0.495 0.075 8 0 "[ . 1]"
1 71 GLN 0.644 0.075 8 0 "[ . 1]"
1 72 PRO 0.790 0.133 5 0 "[ . 1]"
1 73 THR 4.432 0.348 9 0 "[ . 1]"
1 74 VAL 0.813 0.110 6 0 "[ . 1]"
1 75 VAL 9.470 0.782 7 10 [****-*+***]
1 76 ALA 1.488 0.262 6 0 "[ . 1]"
1 77 LEU 1.473 0.177 9 0 "[ . 1]"
1 78 GLY 0.000 0.000 . 0 "[ . 1]"
1 79 GLY 0.018 0.018 2 0 "[ . 1]"
1 80 SER 0.002 0.002 3 0 "[ . 1]"
1 81 GLY 0.000 0.000 . 0 "[ . 1]"
1 84 SER 0.000 0.000 . 0 "[ . 1]"
1 85 THR 0.000 0.000 . 0 "[ . 1]"
1 86 SER 0.000 0.000 . 0 "[ . 1]"
1 87 LEU 0.000 0.000 . 0 "[ . 1]"
1 90 LYS 0.005 0.004 5 0 "[ . 1]"
1 91 ILE 0.009 0.009 1 0 "[ . 1]"
1 92 LYS 0.013 0.009 1 0 "[ . 1]"
1 93 GLN 0.000 0.000 . 0 "[ . 1]"
1 94 ALA 0.000 0.000 . 0 "[ . 1]"
1 95 VAL 0.003 0.002 1 0 "[ . 1]"
1 96 GLY 0.000 0.000 . 0 "[ . 1]"
1 97 VAL 0.071 0.052 4 0 "[ . 1]"
1 98 ASP 0.000 0.000 . 0 "[ . 1]"
1 99 LEU 0.003 0.002 1 0 "[ . 1]"
1 100 TRP 0.034 0.030 2 0 "[ . 1]"
1 101 LYS 0.101 0.052 4 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET H1 1 1 MET QB . . 3.580 2.966 2.386 3.515 . 0 0 "[ . 1]" 1
2 1 1 MET H1 1 1 MET QG . . 3.770 2.797 2.034 3.413 . 0 0 "[ . 1]" 1
3 1 1 MET H1 1 2 GLU H . . 4.620 4.355 3.839 4.604 . 0 0 "[ . 1]" 1
4 1 1 MET HA 1 46 GLY H . . 5.500 4.656 3.907 5.398 . 0 0 "[ . 1]" 1
5 1 1 MET QB 1 2 GLU H . . 3.390 2.768 1.887 3.128 . 0 0 "[ . 1]" 1
6 1 1 MET QB 1 46 GLY H . . 5.160 4.529 4.173 4.882 . 0 0 "[ . 1]" 1
7 1 1 MET QB 1 47 ILE H . . 4.950 3.501 2.857 5.206 0.256 3 0 "[ . 1]" 1
8 1 1 MET HB2 1 2 GLU H . . 3.900 3.483 2.720 3.976 0.076 4 0 "[ . 1]" 1
9 1 1 MET HB3 1 2 GLU H . . 3.900 3.135 1.923 3.974 0.074 8 0 "[ . 1]" 1
10 1 2 GLU H 1 2 GLU QG . . 3.510 2.441 2.059 3.677 0.167 3 0 "[ . 1]" 1
11 1 2 GLU H 1 45 VAL MG1 . . 5.500 2.285 1.913 2.798 . 0 0 "[ . 1]" 1
12 1 2 GLU H 1 45 VAL QG . . 4.160 2.267 1.911 2.766 . 0 0 "[ . 1]" 1
13 1 2 GLU H 1 45 VAL MG2 . . 5.500 4.748 3.325 5.513 0.013 9 0 "[ . 1]" 1
14 1 2 GLU H 1 46 GLY H . . 5.020 3.599 3.090 3.973 . 0 0 "[ . 1]" 1
15 1 2 GLU H 1 46 GLY HA2 . . 4.260 3.275 3.014 4.044 . 0 0 "[ . 1]" 1
16 1 2 GLU H 1 46 GLY QA . . 3.670 2.009 1.884 2.583 . 0 0 "[ . 1]" 1
17 1 2 GLU H 1 46 GLY HA3 . . 4.260 2.027 1.902 2.614 . 0 0 "[ . 1]" 1
18 1 2 GLU H 1 47 ILE H . . 4.890 3.665 3.537 3.808 . 0 0 "[ . 1]" 1
19 1 2 GLU QG 1 3 LEU H . . 5.090 3.718 2.537 4.420 . 0 0 "[ . 1]" 1
20 1 2 GLU QG 1 47 ILE H . . 5.340 4.810 4.093 5.407 0.067 6 0 "[ . 1]" 1
21 1 3 LEU HA 1 4 ALA H . . 2.650 2.148 2.139 2.169 . 0 0 "[ . 1]" 1
22 1 3 LEU HA 1 47 ILE H . . 3.570 3.506 3.185 3.798 0.228 3 0 "[ . 1]" 1
23 1 3 LEU QB 1 4 ALA H . . 3.570 3.617 3.515 3.759 0.189 8 0 "[ . 1]" 1
24 1 3 LEU QD 1 4 ALA H . . 3.270 2.877 2.153 3.441 0.171 2 0 "[ . 1]" 1
25 1 3 LEU QD 1 22 LYS H . . 4.030 4.024 3.798 4.099 0.069 3 0 "[ . 1]" 1
26 1 3 LEU MD1 1 22 LYS H . . 5.020 4.467 4.172 5.164 0.144 2 0 "[ . 1]" 1
27 1 3 LEU MD2 1 22 LYS H . . 5.020 4.760 4.118 5.160 0.140 9 0 "[ . 1]" 1
28 1 4 ALA H 1 4 ALA MB . . 3.040 2.430 2.285 2.512 . 0 0 "[ . 1]" 1
29 1 4 ALA H 1 5 VAL H . . 4.370 4.317 4.230 4.406 0.036 6 0 "[ . 1]" 1
30 1 4 ALA H 1 5 VAL MG1 . . 5.500 5.454 3.328 5.842 0.342 1 0 "[ . 1]" 1
31 1 4 ALA H 1 5 VAL QG . . 4.290 3.574 3.308 3.764 . 0 0 "[ . 1]" 1
32 1 4 ALA H 1 5 VAL MG2 . . 5.500 3.857 3.433 5.773 0.273 9 0 "[ . 1]" 1
33 1 4 ALA H 1 46 GLY QA . . 5.340 5.238 4.986 5.413 0.073 3 0 "[ . 1]" 1
34 1 4 ALA H 1 47 ILE H . . 4.610 4.060 3.806 4.404 . 0 0 "[ . 1]" 1
35 1 4 ALA H 1 47 ILE HA . . 5.500 5.228 5.018 5.318 . 0 0 "[ . 1]" 1
36 1 4 ALA H 1 48 LEU HA . . 4.020 3.140 2.713 3.472 . 0 0 "[ . 1]" 1
37 1 4 ALA H 1 49 VAL H . . 5.090 4.527 4.302 4.713 . 0 0 "[ . 1]" 1
38 1 4 ALA HA 1 5 VAL H . . 2.620 2.156 2.141 2.212 . 0 0 "[ . 1]" 1
39 1 4 ALA HA 1 22 LYS H . . 5.500 3.776 3.447 4.061 . 0 0 "[ . 1]" 1
40 1 4 ALA HA 1 23 VAL H . . 5.500 5.325 5.040 5.594 0.094 1 0 "[ . 1]" 1
41 1 4 ALA MB 1 5 VAL H . . 3.290 3.144 2.938 3.230 . 0 0 "[ . 1]" 1
42 1 4 ALA MB 1 46 GLY H . . 5.330 4.382 4.001 4.875 . 0 0 "[ . 1]" 1
43 1 4 ALA MB 1 47 ILE H . . 4.980 4.600 3.784 4.903 . 0 0 "[ . 1]" 1
44 1 4 ALA MB 1 49 VAL H . . 5.090 3.605 3.420 3.971 . 0 0 "[ . 1]" 1
45 1 5 VAL H 1 5 VAL MG1 . . 4.150 3.808 2.450 3.985 . 0 0 "[ . 1]" 1
46 1 5 VAL H 1 5 VAL QG . . 3.370 2.524 2.320 2.661 . 0 0 "[ . 1]" 1
47 1 5 VAL H 1 5 VAL MG2 . . 4.150 2.608 2.433 2.872 . 0 0 "[ . 1]" 1
48 1 5 VAL H 1 6 ILE H . . 4.770 4.422 4.383 4.445 . 0 0 "[ . 1]" 1
49 1 5 VAL H 1 6 ILE QG . . 5.340 4.097 3.944 4.326 . 0 0 "[ . 1]" 1
50 1 5 VAL H 1 23 VAL HA . . 3.280 2.413 2.241 2.566 . 0 0 "[ . 1]" 1
51 1 5 VAL H 1 23 VAL QG . . 3.770 3.371 3.009 3.812 0.042 8 0 "[ . 1]" 1
52 1 5 VAL H 1 24 TYR H . . 3.910 3.885 3.816 3.952 0.042 1 0 "[ . 1]" 1
53 1 5 VAL H 1 24 TYR HB2 . . 5.500 5.450 5.204 5.556 0.056 8 0 "[ . 1]" 1
54 1 5 VAL HA 1 6 ILE H . . 2.630 2.275 2.233 2.348 . 0 0 "[ . 1]" 1
55 1 5 VAL HB 1 6 ILE H . . 3.710 3.510 2.846 3.729 0.019 7 0 "[ . 1]" 1
56 1 5 VAL HB 1 24 TYR H . . 5.020 3.745 3.436 5.244 0.224 9 0 "[ . 1]" 1
57 1 5 VAL HB 1 49 VAL H . . 5.500 5.334 3.774 5.591 0.091 5 0 "[ . 1]" 1
58 1 5 VAL QG 1 6 ILE H . . 3.370 1.983 1.874 2.552 . 0 0 "[ . 1]" 1
59 1 5 VAL QG 1 7 GLY H . . 4.790 3.885 3.174 4.137 . 0 0 "[ . 1]" 1
60 1 5 VAL QG 1 24 TYR H . . 5.030 3.890 2.632 4.127 . 0 0 "[ . 1]" 1
61 1 5 VAL QG 1 49 VAL H . . 3.960 3.455 3.390 3.577 . 0 0 "[ . 1]" 1
62 1 5 VAL MG1 1 6 ILE H . . 4.040 2.143 1.877 4.124 0.084 9 0 "[ . 1]" 1
63 1 5 VAL MG1 1 49 VAL H . . 5.110 3.870 3.683 3.957 . 0 0 "[ . 1]" 1
64 1 5 VAL MG2 1 6 ILE H . . 4.040 3.951 2.577 4.136 0.096 8 0 "[ . 1]" 1
65 1 5 VAL MG2 1 49 VAL H . . 5.110 3.946 3.731 4.853 . 0 0 "[ . 1]" 1
66 1 6 ILE H 1 6 ILE HB . . 3.600 2.753 2.661 2.972 . 0 0 "[ . 1]" 1
67 1 6 ILE H 1 6 ILE MD . . 3.820 3.648 2.074 3.954 0.134 10 0 "[ . 1]" 1
68 1 6 ILE H 1 6 ILE QG . . 3.180 2.967 2.718 3.158 . 0 0 "[ . 1]" 1
69 1 6 ILE H 1 6 ILE MG . . 4.040 3.880 3.811 3.956 . 0 0 "[ . 1]" 1
70 1 6 ILE H 1 7 GLY H . . 4.480 3.957 3.886 4.047 . 0 0 "[ . 1]" 1
71 1 6 ILE H 1 24 TYR HB2 . . 5.450 5.127 4.682 5.468 0.018 8 0 "[ . 1]" 1
72 1 6 ILE H 1 24 TYR QD . . 5.500 5.140 4.572 5.377 . 0 0 "[ . 1]" 1
73 1 6 ILE H 1 49 VAL H . . 5.450 3.979 3.874 4.091 . 0 0 "[ . 1]" 1
74 1 6 ILE H 1 50 MET HA . . 4.390 2.358 2.221 2.551 . 0 0 "[ . 1]" 1
75 1 6 ILE H 1 50 MET QB . . 4.980 3.961 3.205 4.506 . 0 0 "[ . 1]" 1
76 1 6 ILE H 1 50 MET QG . . 3.900 3.517 3.154 4.107 0.207 7 0 "[ . 1]" 1
77 1 6 ILE HA 1 7 GLY H . . 2.620 2.182 2.161 2.200 . 0 0 "[ . 1]" 1
78 1 6 ILE HA 1 24 TYR H . . 3.580 2.434 2.325 2.531 . 0 0 "[ . 1]" 1
79 1 6 ILE HB 1 7 GLY H . . 4.600 4.408 4.237 4.497 . 0 0 "[ . 1]" 1
80 1 6 ILE QG 1 24 TYR H . . 4.790 3.837 3.529 4.319 . 0 0 "[ . 1]" 1
81 1 6 ILE MG 1 7 GLY H . . 3.110 3.076 3.023 3.138 0.028 6 0 "[ . 1]" 1
82 1 6 ILE MG 1 24 TYR H . . 4.640 4.167 3.856 4.339 . 0 0 "[ . 1]" 1
83 1 7 GLY H 1 8 LYS H . . 4.350 3.819 3.453 3.918 . 0 0 "[ . 1]" 1
84 1 7 GLY H 1 8 LYS HA . . 5.350 4.754 4.666 4.787 . 0 0 "[ . 1]" 1
85 1 7 GLY H 1 11 PHE QB . . 5.270 4.305 3.875 4.921 . 0 0 "[ . 1]" 1
86 1 7 GLY H 1 23 VAL HA . . 5.500 4.814 4.737 5.012 . 0 0 "[ . 1]" 1
87 1 7 GLY H 1 23 VAL HB . . 5.500 5.374 5.128 5.566 0.066 7 0 "[ . 1]" 1
88 1 7 GLY H 1 23 VAL QG . . 4.320 2.677 2.432 2.873 . 0 0 "[ . 1]" 1
89 1 7 GLY H 1 24 TYR H . . 3.970 3.107 2.948 3.316 . 0 0 "[ . 1]" 1
90 1 7 GLY H 1 24 TYR HB2 . . 3.760 3.655 3.416 3.930 0.170 8 0 "[ . 1]" 1
91 1 7 GLY H 1 24 TYR HB3 . . 5.070 4.731 4.403 5.006 . 0 0 "[ . 1]" 1
92 1 7 GLY H 1 24 TYR QD . . 5.500 5.121 4.942 5.261 . 0 0 "[ . 1]" 1
93 1 7 GLY H 1 25 GLU H . . 4.970 4.775 4.578 4.928 . 0 0 "[ . 1]" 1
94 1 7 GLY H 1 25 GLU HA . . 3.990 3.468 3.382 3.564 . 0 0 "[ . 1]" 1
95 1 7 GLY H 1 26 THR H . . 4.040 4.023 3.935 4.098 0.058 3 0 "[ . 1]" 1
96 1 7 GLY HA2 1 8 LYS H . . 3.080 3.181 3.118 3.366 0.286 9 0 "[ . 1]" 1
97 1 7 GLY HA3 1 8 LYS H . . 3.080 2.151 2.136 2.160 . 0 0 "[ . 1]" 1
98 1 8 LYS H 1 8 LYS HB2 . . 3.860 3.628 3.065 3.756 . 0 0 "[ . 1]" 1
99 1 8 LYS H 1 8 LYS QB . . 3.140 2.946 2.882 3.041 . 0 0 "[ . 1]" 1
100 1 8 LYS H 1 8 LYS HB3 . . 3.860 3.164 3.003 3.708 . 0 0 "[ . 1]" 1
101 1 8 LYS H 1 8 LYS QG . . 2.670 2.041 1.903 2.283 . 0 0 "[ . 1]" 1
102 1 8 LYS H 1 9 SER H . . 4.560 4.431 4.360 4.499 . 0 0 "[ . 1]" 1
103 1 8 LYS H 1 11 PHE H . . 4.110 3.461 3.153 4.103 . 0 0 "[ . 1]" 1
104 1 8 LYS H 1 11 PHE HB2 . . 3.830 2.286 1.962 2.742 . 0 0 "[ . 1]" 1
105 1 8 LYS H 1 11 PHE HB3 . . 3.830 3.349 2.921 3.898 0.068 9 0 "[ . 1]" 1
106 1 8 LYS H 1 25 GLU HA . . 5.040 4.171 4.032 4.297 . 0 0 "[ . 1]" 1
107 1 8 LYS H 1 26 THR H . . 4.830 4.816 4.727 4.902 0.072 9 0 "[ . 1]" 1
108 1 8 LYS HA 1 9 SER H . . 2.790 2.619 2.462 2.734 . 0 0 "[ . 1]" 1
109 1 8 LYS HA 1 10 GLU H . . 5.310 4.457 4.241 4.896 . 0 0 "[ . 1]" 1
110 1 8 LYS HA 1 11 PHE H . . 4.750 4.721 4.583 4.831 0.081 10 0 "[ . 1]" 1
111 1 8 LYS HA 1 26 THR H . . 3.430 3.071 2.832 3.448 0.018 9 0 "[ . 1]" 1
112 1 8 LYS QB 1 9 SER H . . 2.900 2.032 1.912 2.274 . 0 0 "[ . 1]" 1
113 1 8 LYS QB 1 10 GLU H . . 5.340 2.749 2.263 3.132 . 0 0 "[ . 1]" 1
114 1 8 LYS QB 1 11 PHE H . . 5.340 3.646 2.999 4.016 . 0 0 "[ . 1]" 1
115 1 8 LYS HB2 1 9 SER H . . 3.760 2.065 1.921 2.302 . 0 0 "[ . 1]" 1
116 1 8 LYS HB3 1 9 SER H . . 3.760 3.371 2.421 3.563 . 0 0 "[ . 1]" 1
117 1 8 LYS QD 1 11 PHE H . . 5.340 3.843 3.325 4.942 . 0 0 "[ . 1]" 1
118 1 8 LYS QG 1 10 GLU H . . 4.800 2.670 1.940 4.094 . 0 0 "[ . 1]" 1
119 1 8 LYS QG 1 11 PHE H . . 3.540 2.152 1.912 3.589 0.049 6 0 "[ . 1]" 1
120 1 9 SER H 1 9 SER HA . . 2.900 2.846 2.813 2.871 . 0 0 "[ . 1]" 1
121 1 9 SER H 1 9 SER QB . . 3.300 2.396 2.096 2.929 . 0 0 "[ . 1]" 1
122 1 9 SER H 1 10 GLU H . . 4.720 2.543 2.449 2.652 . 0 0 "[ . 1]" 1
123 1 9 SER H 1 10 GLU QG . . 5.100 4.029 3.885 4.128 . 0 0 "[ . 1]" 1
124 1 9 SER H 1 11 PHE H . . 4.260 4.058 3.796 4.219 . 0 0 "[ . 1]" 1
125 1 9 SER H 1 12 VAL H . . 5.120 5.083 4.914 5.214 0.094 8 0 "[ . 1]" 1
126 1 9 SER H 1 12 VAL QG . . 4.200 4.043 3.859 4.268 0.068 1 0 "[ . 1]" 1
127 1 9 SER H 1 25 GLU HA . . 5.060 4.293 3.901 4.510 . 0 0 "[ . 1]" 1
128 1 9 SER H 1 25 GLU QG . . 3.470 2.784 1.987 3.541 0.071 8 0 "[ . 1]" 1
129 1 9 SER H 1 26 THR H . . 5.270 5.307 5.244 5.359 0.089 10 0 "[ . 1]" 1
130 1 9 SER HA 1 11 PHE H . . 4.310 4.097 3.798 4.281 . 0 0 "[ . 1]" 1
131 1 9 SER QB 1 10 GLU H . . 4.350 3.010 2.306 3.484 . 0 0 "[ . 1]" 1
132 1 10 GLU H 1 10 GLU QB . . 3.610 2.480 2.390 2.557 . 0 0 "[ . 1]" 1
133 1 10 GLU H 1 10 GLU QG . . 4.060 2.273 1.966 2.458 . 0 0 "[ . 1]" 1
134 1 10 GLU H 1 11 PHE H . . 4.140 2.556 2.412 2.766 . 0 0 "[ . 1]" 1
135 1 10 GLU H 1 11 PHE HA . . 5.500 5.176 5.049 5.341 . 0 0 "[ . 1]" 1
136 1 10 GLU QB 1 11 PHE H . . 3.770 2.777 2.636 2.946 . 0 0 "[ . 1]" 1
137 1 10 GLU QB 1 12 VAL H . . 5.500 5.010 4.846 5.108 . 0 0 "[ . 1]" 1
138 1 10 GLU QG 1 11 PHE H . . 4.120 4.055 3.902 4.111 . 0 0 "[ . 1]" 1
139 1 11 PHE H 1 11 PHE HB2 . . 3.540 2.133 2.084 2.215 . 0 0 "[ . 1]" 1
140 1 11 PHE H 1 11 PHE QB . . 2.920 2.101 2.060 2.155 . 0 0 "[ . 1]" 1
141 1 11 PHE H 1 11 PHE HB3 . . 3.540 3.201 2.946 3.471 . 0 0 "[ . 1]" 1
142 1 11 PHE H 1 12 VAL H . . 3.190 2.651 2.523 2.712 . 0 0 "[ . 1]" 1
143 1 11 PHE H 1 12 VAL QG . . 3.990 3.430 3.304 3.562 . 0 0 "[ . 1]" 1
144 1 11 PHE H 1 13 THR H . . 4.260 3.933 3.838 4.077 . 0 0 "[ . 1]" 1
145 1 11 PHE HA 1 13 THR H . . 4.540 4.201 4.023 4.405 . 0 0 "[ . 1]" 1
146 1 11 PHE QB 1 13 THR H . . 5.340 4.487 4.399 4.599 . 0 0 "[ . 1]" 1
147 1 11 PHE HB2 1 12 VAL H . . 4.410 3.072 2.623 3.341 . 0 0 "[ . 1]" 1
148 1 11 PHE HB3 1 12 VAL H . . 4.410 2.673 2.355 3.243 . 0 0 "[ . 1]" 1
149 1 12 VAL H 1 12 VAL HB . . 4.120 3.308 2.601 3.616 . 0 0 "[ . 1]" 1
150 1 12 VAL H 1 12 VAL QG . . 3.230 1.870 1.810 1.925 . 0 0 "[ . 1]" 1
151 1 12 VAL H 1 13 THR H . . 4.390 2.728 2.525 2.861 . 0 0 "[ . 1]" 1
152 1 12 VAL HA 1 16 ARG H . . 4.530 3.726 3.390 4.197 . 0 0 "[ . 1]" 1
153 1 12 VAL HB 1 13 THR H . . 4.680 3.894 3.506 4.161 . 0 0 "[ . 1]" 1
154 1 12 VAL HB 1 16 ARG H . . 5.500 4.579 3.556 5.565 0.065 4 0 "[ . 1]" 1
155 1 12 VAL HB 1 23 VAL H . . 5.350 4.531 3.360 5.431 0.081 8 0 "[ . 1]" 1
156 1 12 VAL QG 1 13 THR H . . 3.870 2.068 1.916 2.192 . 0 0 "[ . 1]" 1
157 1 12 VAL QG 1 16 ARG H . . 4.520 3.861 2.301 4.569 0.049 7 0 "[ . 1]" 1
158 1 12 VAL QG 1 23 VAL H . . 4.450 3.593 2.385 4.002 . 0 0 "[ . 1]" 1
159 1 13 THR H 1 13 THR HB . . 4.020 2.668 2.158 2.995 . 0 0 "[ . 1]" 1
160 1 14 GLY QA 1 16 ARG H . . 4.630 4.250 3.915 4.496 . 0 0 "[ . 1]" 1
161 1 15 PHE H 1 16 ARG H . . 3.890 2.600 2.491 2.791 . 0 0 "[ . 1]" 1
162 1 15 PHE HA 1 18 ALA H . . 4.470 3.395 3.335 3.429 . 0 0 "[ . 1]" 1
163 1 15 PHE QB 1 20 ILE H . . 4.240 4.378 4.289 4.543 0.303 8 0 "[ . 1]" 1
164 1 15 PHE QB 1 21 SER H . . 5.340 3.788 2.964 4.166 . 0 0 "[ . 1]" 1
165 1 15 PHE QB 1 23 VAL H . . 5.020 4.034 3.700 4.306 . 0 0 "[ . 1]" 1
166 1 15 PHE HB2 1 16 ARG H . . 4.180 2.993 2.348 4.008 . 0 0 "[ . 1]" 1
167 1 15 PHE HB3 1 16 ARG H . . 4.180 3.491 3.161 3.687 . 0 0 "[ . 1]" 1
168 1 16 ARG H 1 16 ARG HB2 . . 3.850 2.390 2.100 2.583 . 0 0 "[ . 1]" 1
169 1 16 ARG H 1 16 ARG QB . . 3.200 2.221 2.072 2.257 . 0 0 "[ . 1]" 1
170 1 16 ARG H 1 16 ARG HB3 . . 3.850 2.840 2.472 3.539 . 0 0 "[ . 1]" 1
171 1 16 ARG H 1 16 ARG QD . . 4.550 4.169 3.780 4.492 . 0 0 "[ . 1]" 1
172 1 16 ARG H 1 16 ARG QG . . 4.300 3.714 2.680 4.057 . 0 0 "[ . 1]" 1
173 1 16 ARG H 1 17 LEU H . . 3.700 2.830 2.774 2.876 . 0 0 "[ . 1]" 1
174 1 16 ARG H 1 18 ALA H . . 4.600 4.617 4.580 4.689 0.089 8 0 "[ . 1]" 1
175 1 16 ARG H 1 23 VAL H . . 5.500 5.690 5.452 6.050 0.550 7 3 "[ * +- 1]" 1
176 1 16 ARG QB 1 17 LEU H . . 4.020 2.835 2.806 2.876 . 0 0 "[ . 1]" 1
177 1 16 ARG HB2 1 17 LEU H . . 4.580 3.791 3.021 4.107 . 0 0 "[ . 1]" 1
178 1 16 ARG HB3 1 17 LEU H . . 4.580 3.010 2.865 3.494 . 0 0 "[ . 1]" 1
179 1 16 ARG QD 1 16 ARG QH2 . . 3.990 3.659 3.610 3.675 . 0 0 "[ . 1]" 1
180 1 16 ARG QD 1 17 LEU H . . 5.000 4.727 4.056 4.986 . 0 0 "[ . 1]" 1
181 1 16 ARG QG 1 16 ARG QH2 . . 4.540 3.816 3.729 4.043 . 0 0 "[ . 1]" 1
182 1 17 LEU H 1 17 LEU HB2 . . 3.440 2.093 2.040 2.291 . 0 0 "[ . 1]" 1
183 1 17 LEU H 1 17 LEU QB . . 2.960 2.056 2.019 2.181 . 0 0 "[ . 1]" 1
184 1 17 LEU H 1 17 LEU HB3 . . 3.440 3.104 2.737 3.316 . 0 0 "[ . 1]" 1
185 1 17 LEU H 1 17 LEU QD . . 4.200 3.406 2.919 3.743 . 0 0 "[ . 1]" 1
186 1 17 LEU H 1 18 ALA H . . 3.800 2.767 2.750 2.784 . 0 0 "[ . 1]" 1
187 1 17 LEU H 1 18 ALA MB . . 4.910 4.508 4.433 4.544 . 0 0 "[ . 1]" 1
188 1 17 LEU H 1 19 GLY H . . 5.030 3.698 3.601 3.750 . 0 0 "[ . 1]" 1
189 1 17 LEU QB 1 18 ALA H . . 3.760 2.483 2.322 2.571 . 0 0 "[ . 1]" 1
190 1 17 LEU QB 1 19 GLY H . . 5.340 4.291 4.218 4.338 . 0 0 "[ . 1]" 1
191 1 17 LEU QD 1 18 ALA H . . 4.680 3.785 3.533 4.025 . 0 0 "[ . 1]" 1
192 1 17 LEU QD 1 19 GLY H . . 5.440 5.027 4.744 5.318 . 0 0 "[ . 1]" 1
193 1 18 ALA H 1 18 ALA MB . . 3.660 2.222 2.098 2.290 . 0 0 "[ . 1]" 1
194 1 18 ALA H 1 19 GLY H . . 4.610 2.312 2.264 2.345 . 0 0 "[ . 1]" 1
195 1 18 ALA H 1 19 GLY QA . . 5.060 4.236 4.196 4.259 . 0 0 "[ . 1]" 1
196 1 18 ALA H 1 20 ILE H . . 4.340 3.927 3.898 3.997 . 0 0 "[ . 1]" 1
197 1 18 ALA MB 1 19 GLY H . . 4.850 2.999 2.965 3.063 . 0 0 "[ . 1]" 1
198 1 18 ALA MB 1 20 ILE H . . 3.520 2.401 2.281 2.524 . 0 0 "[ . 1]" 1
199 1 19 GLY H 1 20 ILE H . . 4.010 2.674 2.655 2.714 . 0 0 "[ . 1]" 1
200 1 19 GLY H 1 20 ILE QG . . 5.340 4.170 3.931 4.390 . 0 0 "[ . 1]" 1
201 1 19 GLY H 1 21 SER H . . 5.330 4.653 3.860 5.188 . 0 0 "[ . 1]" 1
202 1 19 GLY QA 1 21 SER H . . 4.240 3.751 3.490 4.068 . 0 0 "[ . 1]" 1
203 1 20 ILE H 1 20 ILE HB . . 3.060 2.756 2.720 2.826 . 0 0 "[ . 1]" 1
204 1 20 ILE H 1 20 ILE HG12 . . 3.310 3.282 3.070 3.376 0.066 8 0 "[ . 1]" 1
205 1 20 ILE H 1 20 ILE HG13 . . 3.310 2.433 2.166 2.668 . 0 0 "[ . 1]" 1
206 1 20 ILE H 1 21 SER H . . 4.080 3.030 2.074 3.528 . 0 0 "[ . 1]" 1
207 1 20 ILE H 1 21 SER HA . . 5.410 5.205 4.816 5.408 . 0 0 "[ . 1]" 1
208 1 20 ILE H 1 21 SER QB . . 4.870 3.874 3.727 4.747 . 0 0 "[ . 1]" 1
209 1 20 ILE HA 1 21 SER H . . 3.000 2.768 2.433 3.477 0.477 9 0 "[ . 1]" 1
210 1 20 ILE HA 1 22 LYS H . . 5.500 5.489 5.021 5.730 0.230 6 0 "[ . 1]" 1
211 1 20 ILE HB 1 21 SER H . . 4.440 4.069 2.953 4.412 . 0 0 "[ . 1]" 1
212 1 21 SER H 1 21 SER QB . . 3.200 2.940 2.273 3.052 . 0 0 "[ . 1]" 1
213 1 21 SER H 1 22 LYS H . . 3.810 3.740 3.478 4.080 0.270 10 0 "[ . 1]" 1
214 1 21 SER H 1 22 LYS QB . . 5.320 5.169 4.816 5.485 0.165 10 0 "[ . 1]" 1
215 1 21 SER H 1 22 LYS QD . . 4.230 3.895 3.488 4.294 0.064 9 0 "[ . 1]" 1
216 1 21 SER H 1 22 LYS QE . . 5.340 5.096 4.562 5.347 0.007 9 0 "[ . 1]" 1
217 1 21 SER H 1 23 VAL QG . . 5.260 4.976 4.745 5.268 0.008 10 0 "[ . 1]" 1
218 1 21 SER QB 1 22 LYS H . . 4.370 3.670 3.588 3.768 . 0 0 "[ . 1]" 1
219 1 21 SER QB 1 23 VAL H . . 4.770 4.394 3.972 4.836 0.066 6 0 "[ . 1]" 1
220 1 22 LYS H 1 22 LYS HB2 . . 4.030 2.269 2.103 2.710 . 0 0 "[ . 1]" 1
221 1 22 LYS H 1 22 LYS QB . . 3.490 2.233 2.079 2.636 . 0 0 "[ . 1]" 1
222 1 22 LYS H 1 22 LYS HB3 . . 4.030 3.363 3.136 3.618 . 0 0 "[ . 1]" 1
223 1 22 LYS H 1 22 LYS QD . . 3.800 3.094 2.729 3.457 . 0 0 "[ . 1]" 1
224 1 22 LYS H 1 22 LYS QE . . 5.180 4.570 4.029 5.132 . 0 0 "[ . 1]" 1
225 1 22 LYS H 1 23 VAL H . . 4.440 4.245 4.098 4.365 . 0 0 "[ . 1]" 1
226 1 22 LYS H 1 23 VAL QG . . 4.630 4.253 3.981 4.890 0.260 10 0 "[ . 1]" 1
227 1 22 LYS HA 1 23 VAL H . . 3.140 2.195 2.151 2.261 . 0 0 "[ . 1]" 1
228 1 22 LYS QB 1 23 VAL H . . 4.440 3.736 3.482 3.830 . 0 0 "[ . 1]" 1
229 1 23 VAL H 1 23 VAL HB . . 2.920 2.834 2.588 3.186 0.266 8 0 "[ . 1]" 1
230 1 23 VAL H 1 23 VAL MG1 . . 4.030 3.320 1.969 3.887 . 0 0 "[ . 1]" 1
231 1 23 VAL H 1 23 VAL QG . . 3.080 2.425 1.963 2.804 . 0 0 "[ . 1]" 1
232 1 23 VAL H 1 23 VAL MG2 . . 4.030 2.982 2.397 3.822 . 0 0 "[ . 1]" 1
233 1 23 VAL H 1 24 TYR H . . 4.580 4.487 4.478 4.498 . 0 0 "[ . 1]" 1
234 1 23 VAL HA 1 24 TYR H . . 2.870 2.235 2.219 2.262 . 0 0 "[ . 1]" 1
235 1 23 VAL HB 1 24 TYR H . . 3.810 3.853 3.798 3.949 0.139 9 0 "[ . 1]" 1
236 1 23 VAL QG 1 24 TYR H . . 3.320 2.043 1.908 2.207 . 0 0 "[ . 1]" 1
237 1 23 VAL MG1 1 24 TYR H . . 4.030 2.582 1.912 4.001 . 0 0 "[ . 1]" 1
238 1 23 VAL MG2 1 24 TYR H . . 4.030 3.433 2.110 4.052 0.022 7 0 "[ . 1]" 1
239 1 24 TYR H 1 24 TYR HB2 . . 3.570 2.504 2.432 2.545 . 0 0 "[ . 1]" 1
240 1 24 TYR H 1 24 TYR HB3 . . 3.710 3.693 3.653 3.714 0.004 7 0 "[ . 1]" 1
241 1 24 TYR H 1 24 TYR QD . . 4.410 3.072 2.326 3.562 . 0 0 "[ . 1]" 1
242 1 24 TYR H 1 25 GLU H . . 4.570 4.480 4.441 4.509 . 0 0 "[ . 1]" 1
243 1 24 TYR H 1 35 ALA MB . . 5.240 5.260 5.121 5.324 0.084 3 0 "[ . 1]" 1
244 1 24 TYR HA 1 25 GLU H . . 2.850 2.540 2.472 2.619 . 0 0 "[ . 1]" 1
245 1 24 TYR HB2 1 25 GLU H . . 3.480 3.395 3.221 3.526 0.046 3 0 "[ . 1]" 1
246 1 24 TYR HB2 1 26 THR H . . 5.030 5.057 5.030 5.102 0.072 9 0 "[ . 1]" 1
247 1 24 TYR HB3 1 25 GLU H . . 3.070 2.147 2.014 2.275 . 0 0 "[ . 1]" 1
248 1 24 TYR HB3 1 26 THR H . . 5.030 4.900 4.697 5.054 0.024 10 0 "[ . 1]" 1
249 1 24 TYR QD 1 25 GLU H . . 5.380 3.644 3.373 3.776 . 0 0 "[ . 1]" 1
250 1 25 GLU H 1 25 GLU QB . . 2.740 2.653 2.539 2.891 0.151 10 0 "[ . 1]" 1
251 1 25 GLU H 1 26 THR H . . 3.960 4.006 3.952 4.058 0.098 10 0 "[ . 1]" 1
252 1 25 GLU H 1 35 ALA MB . . 4.180 4.040 3.515 4.209 0.029 3 0 "[ . 1]" 1
253 1 25 GLU HA 1 26 THR H . . 2.400 2.156 2.150 2.169 . 0 0 "[ . 1]" 1
254 1 25 GLU QB 1 26 THR H . . 4.060 3.753 3.483 3.948 . 0 0 "[ . 1]" 1
255 1 26 THR H 1 26 THR HB . . 3.950 3.695 2.903 3.854 . 0 0 "[ . 1]" 1
256 1 26 THR H 1 27 PRO HD3 . . 3.990 3.518 3.218 3.669 . 0 0 "[ . 1]" 1
257 1 26 THR H 1 35 ALA MB . . 5.500 5.102 4.908 5.397 . 0 0 "[ . 1]" 1
258 1 27 PRO HB2 1 28 ASP H . . 3.270 3.081 2.916 3.276 0.006 5 0 "[ . 1]" 1
259 1 27 PRO HB3 1 28 ASP H . . 4.080 3.994 3.899 4.106 0.026 5 0 "[ . 1]" 1
260 1 27 PRO HD2 1 28 ASP H . . 3.070 2.690 2.648 2.746 . 0 0 "[ . 1]" 1
261 1 27 PRO HG2 1 28 ASP H . . 2.860 2.091 1.933 2.298 . 0 0 "[ . 1]" 1
262 1 28 ASP H 1 28 ASP HB2 . . 3.140 2.768 2.736 2.789 . 0 0 "[ . 1]" 1
263 1 28 ASP H 1 28 ASP HB3 . . 3.840 3.667 3.607 3.680 . 0 0 "[ . 1]" 1
264 1 28 ASP H 1 29 ILE H . . 4.700 4.573 4.564 4.606 . 0 0 "[ . 1]" 1
265 1 28 ASP H 1 31 ALA H . . 4.250 4.330 4.291 4.372 0.122 3 0 "[ . 1]" 1
266 1 28 ASP H 1 31 ALA MB . . 2.700 2.720 2.689 2.755 0.055 6 0 "[ . 1]" 1
267 1 28 ASP HA 1 29 ILE H . . 3.080 2.295 2.258 2.330 . 0 0 "[ . 1]" 1
268 1 28 ASP HA 1 31 ALA H . . 4.650 4.583 4.527 4.629 . 0 0 "[ . 1]" 1
269 1 28 ASP HB2 1 29 ILE H . . 3.610 3.553 3.487 3.621 0.011 6 0 "[ . 1]" 1
270 1 28 ASP HB2 1 31 ALA H . . 3.780 2.172 2.147 2.201 . 0 0 "[ . 1]" 1
271 1 28 ASP HB3 1 29 ILE H . . 2.980 2.810 2.709 2.923 . 0 0 "[ . 1]" 1
272 1 28 ASP HB3 1 31 ALA H . . 3.910 3.365 3.322 3.408 . 0 0 "[ . 1]" 1
273 1 29 ILE H 1 29 ILE HB . . 3.340 3.306 3.287 3.318 . 0 0 "[ . 1]" 1
274 1 29 ILE H 1 29 ILE MD . . 4.340 4.216 4.203 4.242 . 0 0 "[ . 1]" 1
275 1 29 ILE H 1 29 ILE HG12 . . 3.670 3.567 3.547 3.598 . 0 0 "[ . 1]" 1
276 1 29 ILE H 1 29 ILE MG . . 3.050 1.661 1.656 1.666 . 0 0 "[ . 1]" 1
277 1 29 ILE H 1 30 PRO HB3 . . 5.500 5.391 5.360 5.437 . 0 0 "[ . 1]" 1
278 1 29 ILE H 1 30 PRO HD2 . . 3.030 1.838 1.808 1.883 . 0 0 "[ . 1]" 1
279 1 29 ILE H 1 30 PRO HG3 . . 4.440 4.310 4.278 4.358 . 0 0 "[ . 1]" 1
280 1 29 ILE H 1 31 ALA H . . 4.280 4.072 4.048 4.097 . 0 0 "[ . 1]" 1
281 1 29 ILE HA 1 57 ASN HD22 . . 5.420 4.317 3.415 5.000 . 0 0 "[ . 1]" 1
282 1 29 ILE MD 1 57 ASN HD21 . . 4.200 3.883 3.366 4.250 0.050 2 0 "[ . 1]" 1
283 1 29 ILE MD 1 57 ASN HD22 . . 4.310 4.268 3.847 4.442 0.132 6 0 "[ . 1]" 1
284 1 29 ILE MG 1 57 ASN HD21 . . 4.870 2.753 2.141 3.480 . 0 0 "[ . 1]" 1
285 1 29 ILE MG 1 57 ASN HD22 . . 4.910 2.686 2.349 3.347 . 0 0 "[ . 1]" 1
286 1 30 PRO HB2 1 31 ALA H . . 3.230 3.181 3.171 3.195 . 0 0 "[ . 1]" 1
287 1 30 PRO HD2 1 31 ALA H . . 2.940 2.660 2.657 2.661 . 0 0 "[ . 1]" 1
288 1 30 PRO HG2 1 31 ALA H . . 2.830 2.191 2.179 2.207 . 0 0 "[ . 1]" 1
289 1 30 PRO HG3 1 31 ALA H . . 3.810 3.748 3.740 3.760 . 0 0 "[ . 1]" 1
290 1 31 ALA H 1 31 ALA HA . . 2.940 2.820 2.787 2.840 . 0 0 "[ . 1]" 1
291 1 31 ALA H 1 31 ALA MB . . 2.400 2.211 2.171 2.233 . 0 0 "[ . 1]" 1
292 1 31 ALA H 1 32 THR H . . 2.850 2.600 2.539 2.689 . 0 0 "[ . 1]" 1
293 1 31 ALA HA 1 33 GLU H . . 3.860 3.833 3.702 3.881 0.021 5 0 "[ . 1]" 1
294 1 31 ALA MB 1 33 GLU H . . 4.550 4.508 4.382 4.558 0.008 10 0 "[ . 1]" 1
295 1 31 ALA MB 1 34 SER H . . 4.450 4.225 4.145 4.328 . 0 0 "[ . 1]" 1
296 1 32 THR H 1 32 THR HA . . 2.930 2.765 2.751 2.793 . 0 0 "[ . 1]" 1
297 1 32 THR H 1 32 THR HB . . 3.360 2.609 2.568 2.708 . 0 0 "[ . 1]" 1
298 1 32 THR H 1 32 THR MG . . 3.850 3.765 3.755 3.767 . 0 0 "[ . 1]" 1
299 1 32 THR H 1 33 GLU H . . 2.820 2.770 2.692 2.819 . 0 0 "[ . 1]" 1
300 1 32 THR H 1 33 GLU HA . . 5.400 5.332 5.266 5.374 . 0 0 "[ . 1]" 1
301 1 32 THR H 1 33 GLU QB . . 5.140 4.816 4.690 4.895 . 0 0 "[ . 1]" 1
302 1 32 THR H 1 33 GLU QG . . 4.290 4.278 4.196 4.313 0.023 1 0 "[ . 1]" 1
303 1 32 THR H 1 34 SER H . . 4.560 4.294 4.227 4.392 . 0 0 "[ . 1]" 1
304 1 32 THR HA 1 34 SER H . . 4.020 3.912 3.793 3.994 . 0 0 "[ . 1]" 1
305 1 32 THR HA 1 35 ALA H . . 4.310 3.449 3.340 3.639 . 0 0 "[ . 1]" 1
306 1 32 THR MG 1 33 GLU H . . 3.790 3.656 3.591 3.791 0.001 6 0 "[ . 1]" 1
307 1 32 THR MG 1 35 ALA H . . 4.130 4.144 4.051 4.180 0.050 5 0 "[ . 1]" 1
308 1 33 GLU H 1 33 GLU HA . . 2.910 2.775 2.759 2.795 . 0 0 "[ . 1]" 1
309 1 33 GLU H 1 33 GLU QB . . 3.310 2.373 2.330 2.395 . 0 0 "[ . 1]" 1
310 1 33 GLU H 1 33 GLU QG . . 2.440 2.376 2.310 2.441 0.001 7 0 "[ . 1]" 1
311 1 33 GLU H 1 34 SER H . . 2.890 2.727 2.676 2.767 . 0 0 "[ . 1]" 1
312 1 33 GLU H 1 35 ALA H . . 4.720 4.586 4.399 4.689 . 0 0 "[ . 1]" 1
313 1 33 GLU H 1 35 ALA MB . . 5.390 5.335 5.123 5.406 0.016 9 0 "[ . 1]" 1
314 1 33 GLU HA 1 35 ALA H . . 4.780 4.573 4.378 4.759 . 0 0 "[ . 1]" 1
315 1 33 GLU HA 1 36 VAL H . . 3.700 3.363 3.230 3.483 . 0 0 "[ . 1]" 1
316 1 33 GLU HA 1 37 ARG H . . 4.850 4.652 4.402 4.886 0.036 5 0 "[ . 1]" 1
317 1 33 GLU QB 1 34 SER H . . 4.570 3.514 3.483 3.524 . 0 0 "[ . 1]" 1
318 1 33 GLU QG 1 34 SER H . . 2.430 2.091 1.996 2.174 . 0 0 "[ . 1]" 1
319 1 33 GLU QG 1 35 ALA H . . 4.730 4.622 4.483 4.728 . 0 0 "[ . 1]" 1
320 1 34 SER H 1 34 SER QB . . 2.400 2.185 2.086 2.257 . 0 0 "[ . 1]" 1
321 1 34 SER HA 1 35 ALA H . . 3.560 3.559 3.543 3.567 0.007 3 0 "[ . 1]" 1
322 1 34 SER HA 1 36 VAL H . . 4.940 4.308 4.093 4.517 . 0 0 "[ . 1]" 1
323 1 34 SER HA 1 37 ARG H . . 3.840 3.792 3.683 3.854 0.014 8 0 "[ . 1]" 1
324 1 34 SER QB 1 35 ALA H . . 2.810 2.382 2.294 2.518 . 0 0 "[ . 1]" 1
325 1 35 ALA H 1 35 ALA MB . . 2.400 2.112 2.031 2.202 . 0 0 "[ . 1]" 1
326 1 35 ALA H 1 36 VAL H . . 2.820 2.589 2.558 2.633 . 0 0 "[ . 1]" 1
327 1 35 ALA MB 1 36 VAL H . . 2.940 2.804 2.677 2.929 . 0 0 "[ . 1]" 1
328 1 35 ALA MB 1 37 ARG H . . 4.680 4.388 4.277 4.473 . 0 0 "[ . 1]" 1
329 1 35 ALA MB 1 38 SER H . . 4.840 4.529 4.335 4.648 . 0 0 "[ . 1]" 1
330 1 35 ALA MB 1 39 VAL H . . 4.760 4.507 4.215 4.767 0.007 1 0 "[ . 1]" 1
331 1 36 VAL H 1 36 VAL HB . . 2.870 2.352 2.111 2.527 . 0 0 "[ . 1]" 1
332 1 36 VAL H 1 36 VAL QG . . 3.520 2.410 2.068 2.872 . 0 0 "[ . 1]" 1
333 1 36 VAL H 1 37 ARG H . . 2.930 2.668 2.596 2.743 . 0 0 "[ . 1]" 1
334 1 36 VAL H 1 37 ARG QG . . 5.500 4.304 3.904 4.830 . 0 0 "[ . 1]" 1
335 1 36 VAL HA 1 38 SER H . . 4.360 4.119 3.848 4.335 . 0 0 "[ . 1]" 1
336 1 36 VAL HA 1 39 VAL H . . 3.240 3.088 2.891 3.241 0.001 2 0 "[ . 1]" 1
337 1 36 VAL HA 1 40 LEU H . . 4.420 3.684 3.191 4.474 0.054 3 0 "[ . 1]" 1
338 1 36 VAL HB 1 37 ARG H . . 3.450 3.139 2.909 3.558 0.108 6 0 "[ . 1]" 1
339 1 36 VAL QG 1 37 ARG H . . 3.410 3.040 2.324 3.409 . 0 0 "[ . 1]" 1
340 1 36 VAL MG1 1 37 ARG H . . 4.350 3.201 2.335 3.694 . 0 0 "[ . 1]" 1
341 1 36 VAL MG1 1 40 LEU H . . 4.730 3.458 2.827 4.588 . 0 0 "[ . 1]" 1
342 1 36 VAL MG2 1 37 ARG H . . 4.350 4.104 3.993 4.273 . 0 0 "[ . 1]" 1
343 1 36 VAL MG2 1 40 LEU H . . 4.730 4.739 4.345 4.859 0.129 10 0 "[ . 1]" 1
344 1 37 ARG H 1 37 ARG HA . . 2.920 2.786 2.747 2.838 . 0 0 "[ . 1]" 1
345 1 37 ARG H 1 37 ARG QB . . 2.580 2.376 2.169 2.576 . 0 0 "[ . 1]" 1
346 1 37 ARG H 1 37 ARG QD . . 4.240 3.826 3.165 4.260 0.020 3 0 "[ . 1]" 1
347 1 37 ARG H 1 37 ARG QG . . 3.270 2.405 1.934 2.845 . 0 0 "[ . 1]" 1
348 1 37 ARG H 1 38 SER H . . 3.060 2.736 2.554 2.851 . 0 0 "[ . 1]" 1
349 1 37 ARG H 1 39 VAL H . . 4.210 3.932 3.774 4.131 . 0 0 "[ . 1]" 1
350 1 37 ARG HA 1 37 ARG QH2 . . 5.340 5.057 4.213 5.393 0.053 7 0 "[ . 1]" 1
351 1 37 ARG HA 1 38 SER H . . 3.550 3.528 3.506 3.554 0.004 4 0 "[ . 1]" 1
352 1 37 ARG QB 1 37 ARG QH2 . . 3.920 3.614 3.303 3.979 0.059 6 0 "[ . 1]" 1
353 1 37 ARG QB 1 38 SER H . . 3.450 2.899 2.440 3.454 0.004 8 0 "[ . 1]" 1
354 1 37 ARG QG 1 37 ARG QH2 . . 4.590 4.077 3.953 4.332 . 0 0 "[ . 1]" 1
355 1 37 ARG QG 1 38 SER H . . 4.120 3.245 2.042 4.083 . 0 0 "[ . 1]" 1
356 1 38 SER H 1 39 VAL H . . 2.750 2.297 2.284 2.322 . 0 0 "[ . 1]" 1
357 1 38 SER H 1 39 VAL MG2 . . 4.200 3.744 3.568 3.867 . 0 0 "[ . 1]" 1
358 1 38 SER H 1 40 LEU H . . 4.290 4.102 3.984 4.319 0.029 3 0 "[ . 1]" 1
359 1 38 SER H 1 40 LEU QD . . 4.820 4.277 4.140 4.513 . 0 0 "[ . 1]" 1
360 1 38 SER HA 1 40 LEU H . . 4.470 4.331 4.164 4.460 . 0 0 "[ . 1]" 1
361 1 38 SER HA 1 41 GLU H . . 3.980 3.665 3.502 4.001 0.021 1 0 "[ . 1]" 1
362 1 38 SER HA 1 42 ASP H . . 5.080 4.465 4.348 4.781 . 0 0 "[ . 1]" 1
363 1 39 VAL H 1 39 VAL HA . . 2.910 2.823 2.800 2.902 . 0 0 "[ . 1]" 1
364 1 39 VAL H 1 39 VAL HB . . 2.500 2.517 2.443 2.548 0.048 4 0 "[ . 1]" 1
365 1 39 VAL H 1 39 VAL MG1 . . 3.910 3.763 3.752 3.779 . 0 0 "[ . 1]" 1
366 1 39 VAL H 1 39 VAL MG2 . . 2.810 2.234 2.098 2.479 . 0 0 "[ . 1]" 1
367 1 39 VAL H 1 40 LEU H . . 3.020 2.647 2.299 2.752 . 0 0 "[ . 1]" 1
368 1 39 VAL H 1 41 GLU H . . 4.400 4.102 3.971 4.157 . 0 0 "[ . 1]" 1
369 1 39 VAL H 1 42 ASP HB2 . . 5.050 4.367 4.068 5.068 0.018 1 0 "[ . 1]" 1
370 1 39 VAL HA 1 42 ASP H . . 3.240 2.858 2.800 3.036 . 0 0 "[ . 1]" 1
371 1 39 VAL HA 1 43 LYS H . . 4.560 4.145 3.676 4.586 0.026 3 0 "[ . 1]" 1
372 1 39 VAL HB 1 40 LEU H . . 2.850 2.615 2.510 2.913 0.063 1 0 "[ . 1]" 1
373 1 39 VAL MG1 1 40 LEU H . . 4.150 3.432 3.332 3.663 . 0 0 "[ . 1]" 1
374 1 39 VAL MG2 1 40 LEU H . . 4.880 3.856 3.812 3.952 . 0 0 "[ . 1]" 1
375 1 40 LEU H 1 40 LEU HA . . 2.930 2.756 2.742 2.782 . 0 0 "[ . 1]" 1
376 1 40 LEU H 1 40 LEU HB3 . . 2.810 2.371 2.325 2.600 . 0 0 "[ . 1]" 1
377 1 40 LEU H 1 40 LEU QD . . 3.040 3.037 2.969 3.083 0.043 1 0 "[ . 1]" 1
378 1 40 LEU H 1 40 LEU HG . . 2.940 2.535 2.029 2.655 . 0 0 "[ . 1]" 1
379 1 40 LEU H 1 41 GLU H . . 2.840 2.766 2.694 2.807 . 0 0 "[ . 1]" 1
380 1 40 LEU H 1 41 GLU QG . . 4.660 4.172 3.944 4.281 . 0 0 "[ . 1]" 1
381 1 40 LEU H 1 42 ASP H . . 4.060 3.891 3.799 3.986 . 0 0 "[ . 1]" 1
382 1 40 LEU H 1 42 ASP HB2 . . 5.500 5.080 4.749 5.501 0.001 1 0 "[ . 1]" 1
383 1 40 LEU H 1 43 LYS H . . 5.480 5.213 4.905 5.637 0.157 3 0 "[ . 1]" 1
384 1 40 LEU HA 1 42 ASP H . . 4.650 4.339 3.962 4.634 . 0 0 "[ . 1]" 1
385 1 40 LEU HA 1 43 LYS H . . 4.730 4.300 4.067 4.678 . 0 0 "[ . 1]" 1
386 1 40 LEU QD 1 41 GLU H . . 3.470 2.663 2.529 2.774 . 0 0 "[ . 1]" 1
387 1 40 LEU QD 1 42 ASP H . . 4.150 4.212 4.169 4.280 0.130 1 0 "[ . 1]" 1
388 1 40 LEU HG 1 41 GLU H . . 3.620 2.288 2.128 2.789 . 0 0 "[ . 1]" 1
389 1 41 GLU H 1 41 GLU QB . . 2.940 2.786 2.711 2.903 . 0 0 "[ . 1]" 1
390 1 41 GLU H 1 41 GLU HG2 . . 3.110 2.226 2.088 2.333 . 0 0 "[ . 1]" 1
391 1 41 GLU H 1 41 GLU HG3 . . 3.110 2.962 2.625 3.101 . 0 0 "[ . 1]" 1
392 1 41 GLU H 1 42 ASP H . . 2.690 2.073 2.009 2.142 . 0 0 "[ . 1]" 1
393 1 41 GLU H 1 42 ASP HB2 . . 4.160 3.991 3.679 4.172 0.012 9 0 "[ . 1]" 1
394 1 41 GLU H 1 43 LYS H . . 4.600 3.822 3.585 4.137 . 0 0 "[ . 1]" 1
395 1 41 GLU H 1 44 SER H . . 5.500 5.549 5.289 5.612 0.112 10 0 "[ . 1]" 1
396 1 41 GLU QB 1 42 ASP H . . 3.900 3.688 3.531 3.891 . 0 0 "[ . 1]" 1
397 1 41 GLU QG 1 42 ASP H . . 3.340 2.613 2.261 3.134 . 0 0 "[ . 1]" 1
398 1 42 ASP H 1 42 ASP HA . . 2.940 2.871 2.783 2.934 . 0 0 "[ . 1]" 1
399 1 42 ASP H 1 42 ASP HB2 . . 2.810 2.318 2.158 2.475 . 0 0 "[ . 1]" 1
400 1 42 ASP H 1 42 ASP HB3 . . 3.210 2.908 2.654 3.260 0.050 8 0 "[ . 1]" 1
401 1 42 ASP H 1 43 LYS H . . 3.430 2.475 2.105 2.694 . 0 0 "[ . 1]" 1
402 1 42 ASP H 1 43 LYS QB . . 4.630 4.475 4.287 4.794 0.164 10 0 "[ . 1]" 1
403 1 42 ASP H 1 44 SER H . . 4.680 4.362 4.050 4.626 . 0 0 "[ . 1]" 1
404 1 42 ASP HA 1 43 LYS H . . 3.520 3.347 3.149 3.454 . 0 0 "[ . 1]" 1
405 1 42 ASP HA 1 44 SER H . . 3.980 3.787 3.585 4.015 0.035 10 0 "[ . 1]" 1
406 1 42 ASP HA 1 45 VAL H . . 4.060 3.768 3.548 4.052 . 0 0 "[ . 1]" 1
407 1 42 ASP HA 1 46 GLY H . . 5.500 4.873 4.291 5.296 . 0 0 "[ . 1]" 1
408 1 42 ASP HB2 1 43 LYS H . . 4.320 3.964 3.561 4.183 . 0 0 "[ . 1]" 1
409 1 42 ASP HB3 1 43 LYS H . . 4.030 3.410 3.002 3.888 . 0 0 "[ . 1]" 1
410 1 42 ASP HB3 1 44 SER H . . 5.500 5.241 4.989 5.545 0.045 1 0 "[ . 1]" 1
411 1 42 ASP HB3 1 45 VAL H . . 5.290 5.261 4.911 5.332 0.042 3 0 "[ . 1]" 1
412 1 43 LYS H 1 43 LYS HB2 . . 3.630 3.412 2.650 3.623 . 0 0 "[ . 1]" 1
413 1 43 LYS H 1 43 LYS QB . . 2.810 2.503 2.313 2.714 . 0 0 "[ . 1]" 1
414 1 43 LYS H 1 43 LYS HB3 . . 3.630 2.735 2.344 3.587 . 0 0 "[ . 1]" 1
415 1 43 LYS H 1 43 LYS QE . . 4.620 4.381 4.135 4.576 . 0 0 "[ . 1]" 1
416 1 43 LYS H 1 43 LYS QG . . 2.880 2.195 1.904 2.526 . 0 0 "[ . 1]" 1
417 1 43 LYS H 1 44 SER H . . 3.270 2.546 2.359 2.697 . 0 0 "[ . 1]" 1
418 1 43 LYS H 1 45 VAL H . . 4.250 4.185 4.023 4.304 0.054 3 0 "[ . 1]" 1
419 1 43 LYS HA 1 45 VAL H . . 4.400 3.637 3.528 3.747 . 0 0 "[ . 1]" 1
420 1 43 LYS QB 1 45 VAL H . . 5.340 4.686 4.466 4.781 . 0 0 "[ . 1]" 1
421 1 43 LYS HB2 1 44 SER H . . 4.220 3.750 2.687 4.118 . 0 0 "[ . 1]" 1
422 1 43 LYS HB3 1 44 SER H . . 4.220 3.997 3.865 4.078 . 0 0 "[ . 1]" 1
423 1 43 LYS QE 1 44 SER H . . 4.940 3.935 3.145 5.014 0.074 10 0 "[ . 1]" 1
424 1 43 LYS QG 1 44 SER H . . 3.710 2.515 1.958 3.862 0.152 10 0 "[ . 1]" 1
425 1 44 SER H 1 44 SER QB . . 3.200 2.481 2.241 2.997 . 0 0 "[ . 1]" 1
426 1 44 SER H 1 45 VAL H . . 2.830 2.706 2.524 2.826 . 0 0 "[ . 1]" 1
427 1 44 SER H 1 45 VAL HB . . 4.740 4.572 4.116 4.768 0.028 2 0 "[ . 1]" 1
428 1 44 SER H 1 45 VAL QG . . 4.180 3.308 3.075 4.072 . 0 0 "[ . 1]" 1
429 1 44 SER H 1 46 GLY H . . 5.500 5.228 4.632 5.412 . 0 0 "[ . 1]" 1
430 1 44 SER HA 1 45 VAL H . . 3.560 2.993 2.908 3.132 . 0 0 "[ . 1]" 1
431 1 45 VAL H 1 45 VAL HB . . 2.700 2.532 2.434 2.717 0.017 1 0 "[ . 1]" 1
432 1 45 VAL H 1 45 VAL MG1 . . 3.940 3.629 2.201 3.846 . 0 0 "[ . 1]" 1
433 1 45 VAL H 1 45 VAL QG . . 2.800 2.519 2.188 2.738 . 0 0 "[ . 1]" 1
434 1 45 VAL H 1 45 VAL MG2 . . 3.940 2.726 2.371 3.855 . 0 0 "[ . 1]" 1
435 1 45 VAL H 1 46 GLY H . . 4.550 2.631 2.060 2.737 . 0 0 "[ . 1]" 1
436 1 45 VAL HB 1 46 GLY H . . 4.320 2.163 1.931 3.901 . 0 0 "[ . 1]" 1
437 1 45 VAL QG 1 46 GLY H . . 4.080 2.478 2.096 2.825 . 0 0 "[ . 1]" 1
438 1 46 GLY H 1 47 ILE H . . 4.260 3.780 3.601 4.018 . 0 0 "[ . 1]" 1
439 1 46 GLY QA 1 47 ILE H . . 3.100 2.114 2.109 2.147 . 0 0 "[ . 1]" 1
440 1 47 ILE H 1 47 ILE HB . . 3.420 2.680 2.563 2.950 . 0 0 "[ . 1]" 1
441 1 47 ILE H 1 47 ILE QG . . 5.010 3.164 2.405 4.044 . 0 0 "[ . 1]" 1
442 1 47 ILE H 1 48 LEU H . . 4.820 4.452 4.401 4.521 . 0 0 "[ . 1]" 1
443 1 47 ILE HA 1 48 LEU H . . 2.840 2.162 2.141 2.229 . 0 0 "[ . 1]" 1
444 1 48 LEU H 1 48 LEU HB2 . . 3.270 2.725 2.568 2.956 . 0 0 "[ . 1]" 1
445 1 48 LEU H 1 48 LEU QD . . 2.850 2.267 1.898 2.854 0.004 7 0 "[ . 1]" 1
446 1 48 LEU H 1 48 LEU HG . . 3.800 3.098 2.115 3.990 0.190 1 0 "[ . 1]" 1
447 1 48 LEU H 1 49 VAL H . . 4.710 4.530 4.522 4.536 . 0 0 "[ . 1]" 1
448 1 48 LEU H 1 73 THR H . . 5.210 3.657 3.520 3.806 . 0 0 "[ . 1]" 1
449 1 48 LEU H 1 73 THR HB . . 4.590 2.428 2.046 2.819 . 0 0 "[ . 1]" 1
450 1 48 LEU HA 1 49 VAL H . . 2.900 2.290 2.244 2.327 . 0 0 "[ . 1]" 1
451 1 48 LEU HB2 1 49 VAL H . . 4.170 3.613 3.468 3.736 . 0 0 "[ . 1]" 1
452 1 48 LEU HB2 1 50 MET H . . 5.500 5.308 4.965 5.516 0.016 2 0 "[ . 1]" 1
453 1 48 LEU HB2 1 75 VAL H . . 4.080 3.557 3.322 3.740 . 0 0 "[ . 1]" 1
454 1 48 LEU HB3 1 49 VAL H . . 4.040 2.770 2.634 3.028 . 0 0 "[ . 1]" 1
455 1 48 LEU HB3 1 50 MET H . . 5.390 5.279 5.027 5.461 0.071 3 0 "[ . 1]" 1
456 1 48 LEU HB3 1 75 VAL H . . 5.100 4.701 4.435 4.873 . 0 0 "[ . 1]" 1
457 1 48 LEU HG 1 49 VAL H . . 5.030 4.780 4.567 5.200 0.170 3 0 "[ . 1]" 1
458 1 49 VAL H 1 49 VAL HB . . 3.620 3.353 2.943 3.652 0.032 10 0 "[ . 1]" 1
459 1 49 VAL H 1 49 VAL QG . . 3.180 2.544 2.161 2.959 . 0 0 "[ . 1]" 1
460 1 49 VAL H 1 50 MET H . . 4.650 3.964 3.860 4.056 . 0 0 "[ . 1]" 1
461 1 49 VAL HA 1 50 MET H . . 2.800 2.146 2.141 2.153 . 0 0 "[ . 1]" 1
462 1 49 VAL HB 1 50 MET H . . 4.670 4.226 4.127 4.353 . 0 0 "[ . 1]" 1
463 1 49 VAL QG 1 50 MET H . . 3.480 2.767 2.568 2.905 . 0 0 "[ . 1]" 1
464 1 49 VAL QG 1 51 HIS H . . 5.440 4.853 4.734 5.048 . 0 0 "[ . 1]" 1
465 1 50 MET H 1 50 MET HG2 . . 4.960 3.837 3.216 4.719 . 0 0 "[ . 1]" 1
466 1 50 MET H 1 50 MET QG . . 4.230 2.815 2.148 4.115 . 0 0 "[ . 1]" 1
467 1 50 MET H 1 50 MET HG3 . . 4.960 2.948 2.165 4.576 . 0 0 "[ . 1]" 1
468 1 50 MET H 1 51 HIS H . . 4.610 4.482 4.462 4.510 . 0 0 "[ . 1]" 1
469 1 50 MET H 1 75 VAL H . . 5.330 3.777 3.622 4.015 . 0 0 "[ . 1]" 1
470 1 50 MET H 1 75 VAL HA . . 3.920 4.561 4.433 4.702 0.782 7 10 [****-*+***] 1
471 1 50 MET H 1 75 VAL HB . . 4.390 3.479 3.373 3.690 . 0 0 "[ . 1]" 1
472 1 50 MET H 1 75 VAL QG . . 3.810 3.829 3.785 3.888 0.078 10 0 "[ . 1]" 1
473 1 50 MET H 1 76 ALA HA . . 4.180 2.967 2.682 3.131 . 0 0 "[ . 1]" 1
474 1 50 MET H 1 76 ALA MB . . 5.300 4.146 3.892 4.374 . 0 0 "[ . 1]" 1
475 1 50 MET H 1 77 LEU H . . 5.290 4.086 3.836 4.324 . 0 0 "[ . 1]" 1
476 1 50 MET HA 1 51 HIS H . . 3.310 2.458 2.388 2.540 . 0 0 "[ . 1]" 1
477 1 50 MET QB 1 51 HIS H . . 4.170 2.526 2.261 3.221 . 0 0 "[ . 1]" 1
478 1 50 MET QB 1 55 ILE H . . 5.290 4.692 4.217 5.303 0.013 9 0 "[ . 1]" 1
479 1 50 MET QG 1 51 HIS H . . 4.430 3.655 1.861 4.311 . 0 0 "[ . 1]" 1
480 1 51 HIS H 1 51 HIS HB2 . . 3.420 2.839 2.492 3.692 0.272 10 0 "[ . 1]" 1
481 1 51 HIS H 1 51 HIS HB3 . . 4.100 3.586 2.958 3.829 . 0 0 "[ . 1]" 1
482 1 51 HIS H 1 52 ASN H . . 4.970 4.403 4.227 4.523 . 0 0 "[ . 1]" 1
483 1 51 HIS H 1 54 ASP H . . 4.770 4.658 4.332 4.844 0.074 1 0 "[ . 1]" 1
484 1 51 HIS H 1 54 ASP QB . . 4.720 4.130 3.756 4.419 . 0 0 "[ . 1]" 1
485 1 51 HIS H 1 55 ILE H . . 4.810 4.587 4.026 4.905 0.095 9 0 "[ . 1]" 1
486 1 51 HIS H 1 55 ILE MD . . 4.080 3.167 2.208 3.587 . 0 0 "[ . 1]" 1
487 1 51 HIS H 1 76 ALA MB . . 5.500 5.209 4.716 5.467 . 0 0 "[ . 1]" 1
488 1 51 HIS H 1 77 LEU H . . 5.020 4.443 4.145 4.707 . 0 0 "[ . 1]" 1
489 1 51 HIS HA 1 52 ASN H . . 3.400 2.178 2.140 2.239 . 0 0 "[ . 1]" 1
490 1 51 HIS HA 1 52 ASN QD . . 5.340 4.564 3.397 5.351 0.011 3 0 "[ . 1]" 1
491 1 51 HIS HA 1 53 ASP H . . 5.010 3.614 3.470 3.741 . 0 0 "[ . 1]" 1
492 1 51 HIS HA 1 77 LEU H . . 3.550 2.291 1.937 2.638 . 0 0 "[ . 1]" 1
493 1 51 HIS HB2 1 52 ASN H . . 4.560 3.903 2.879 4.363 . 0 0 "[ . 1]" 1
494 1 51 HIS HB2 1 54 ASP H . . 4.090 3.962 3.597 4.374 0.284 10 0 "[ . 1]" 1
495 1 51 HIS HB2 1 55 ILE H . . 5.250 4.921 4.430 5.450 0.200 4 0 "[ . 1]" 1
496 1 51 HIS HB2 1 77 LEU H . . 5.280 5.148 4.484 5.457 0.177 9 0 "[ . 1]" 1
497 1 51 HIS HB3 1 52 ASN H . . 3.770 3.446 2.930 4.010 0.240 4 0 "[ . 1]" 1
498 1 51 HIS HB3 1 53 ASP H . . 3.610 2.930 2.446 4.061 0.451 10 0 "[ . 1]" 1
499 1 51 HIS HB3 1 77 LEU H . . 4.590 4.574 4.183 4.744 0.154 9 0 "[ . 1]" 1
500 1 52 ASN H 1 52 ASN HB2 . . 4.200 2.245 2.075 2.465 . 0 0 "[ . 1]" 1
501 1 52 ASN H 1 52 ASN QB . . 3.370 2.216 2.055 2.424 . 0 0 "[ . 1]" 1
502 1 52 ASN H 1 52 ASN HB3 . . 4.200 3.425 3.031 3.588 . 0 0 "[ . 1]" 1
503 1 52 ASN H 1 52 ASN QD . . 4.340 3.068 2.204 3.611 . 0 0 "[ . 1]" 1
504 1 52 ASN H 1 53 ASP H . . 4.810 2.683 2.607 2.764 . 0 0 "[ . 1]" 1
505 1 52 ASN H 1 54 ASP H . . 4.470 4.368 4.312 4.407 . 0 0 "[ . 1]" 1
506 1 52 ASN H 1 55 ILE H . . 5.060 4.747 4.544 4.932 . 0 0 "[ . 1]" 1
507 1 52 ASN H 1 55 ILE MD . . 5.500 4.489 3.070 5.661 0.161 2 0 "[ . 1]" 1
508 1 52 ASN H 1 76 ALA HA . . 4.690 4.174 3.720 4.525 . 0 0 "[ . 1]" 1
509 1 52 ASN H 1 76 ALA MB . . 4.300 3.840 3.364 4.259 . 0 0 "[ . 1]" 1
510 1 52 ASN H 1 77 LEU H . . 3.800 3.029 2.498 3.804 0.004 10 0 "[ . 1]" 1
511 1 52 ASN H 1 77 LEU HB2 . . 5.240 4.188 3.314 4.990 . 0 0 "[ . 1]" 1
512 1 52 ASN H 1 77 LEU QB . . 4.570 3.145 2.597 4.586 0.016 9 0 "[ . 1]" 1
513 1 52 ASN H 1 77 LEU HB3 . . 5.240 3.322 2.635 5.349 0.109 9 0 "[ . 1]" 1
514 1 52 ASN H 1 78 GLY QA . . 5.340 3.651 2.506 4.556 . 0 0 "[ . 1]" 1
515 1 52 ASN HA 1 52 ASN HD21 . . 4.530 3.400 2.234 4.435 . 0 0 "[ . 1]" 1
516 1 52 ASN HA 1 52 ASN HD22 . . 4.530 3.991 3.331 4.618 0.088 2 0 "[ . 1]" 1
517 1 52 ASN HA 1 54 ASP H . . 4.090 3.265 3.157 3.366 . 0 0 "[ . 1]" 1
518 1 52 ASN HA 1 55 ILE H . . 3.550 2.844 2.718 3.046 . 0 0 "[ . 1]" 1
519 1 52 ASN HA 1 56 GLY H . . 4.090 2.712 2.313 3.066 . 0 0 "[ . 1]" 1
520 1 52 ASN QB 1 52 ASN QD . . 2.860 2.273 2.063 2.595 . 0 0 "[ . 1]" 1
521 1 52 ASN QB 1 53 ASP H . . 4.450 3.144 2.978 3.255 . 0 0 "[ . 1]" 1
522 1 52 ASN QB 1 56 GLY H . . 4.510 3.755 3.349 4.062 . 0 0 "[ . 1]" 1
523 1 52 ASN QB 1 77 LEU H . . 5.090 4.515 3.586 5.142 0.052 10 0 "[ . 1]" 1
524 1 52 ASN QD 1 76 ALA H . . 5.340 4.953 4.323 5.376 0.036 3 0 "[ . 1]" 1
525 1 52 ASN QD 1 76 ALA MB . . 3.540 2.295 1.859 3.001 . 0 0 "[ . 1]" 1
526 1 52 ASN QD 1 77 LEU H . . 5.030 3.937 3.110 4.932 . 0 0 "[ . 1]" 1
527 1 52 ASN QD 1 78 GLY QA . . 4.710 3.175 1.932 4.041 . 0 0 "[ . 1]" 1
528 1 52 ASN QD 1 79 GLY QA . . 4.050 3.142 2.499 3.557 . 0 0 "[ . 1]" 1
529 1 52 ASN QD 1 80 SER H . . 4.120 3.746 2.954 4.077 . 0 0 "[ . 1]" 1
530 1 52 ASN HD21 1 76 ALA MB . . 4.150 2.991 2.020 4.159 0.009 2 0 "[ . 1]" 1
531 1 52 ASN HD21 1 79 GLY QA . . 4.700 3.794 3.167 4.691 . 0 0 "[ . 1]" 1
532 1 52 ASN HD21 1 80 SER H . . 4.900 4.370 3.366 4.902 0.002 3 0 "[ . 1]" 1
533 1 52 ASN HD22 1 76 ALA MB . . 4.150 2.620 1.874 3.473 . 0 0 "[ . 1]" 1
534 1 52 ASN HD22 1 79 GLY QA . . 4.700 3.641 2.571 4.718 0.018 2 0 "[ . 1]" 1
535 1 52 ASN HD22 1 80 SER H . . 4.900 4.306 3.271 4.898 . 0 0 "[ . 1]" 1
536 1 53 ASP H 1 54 ASP H . . 3.370 2.664 2.607 2.737 . 0 0 "[ . 1]" 1
537 1 53 ASP H 1 55 ILE H . . 4.410 4.003 3.883 4.103 . 0 0 "[ . 1]" 1
538 1 53 ASP H 1 56 GLY H . . 5.090 4.706 4.523 4.927 . 0 0 "[ . 1]" 1
539 1 53 ASP HA 1 54 ASP H . . 3.410 3.340 3.245 3.423 0.013 6 0 "[ . 1]" 1
540 1 53 ASP HA 1 55 ILE H . . 5.060 4.888 4.784 5.135 0.075 6 0 "[ . 1]" 1
541 1 53 ASP HA 1 56 GLY H . . 4.630 4.630 4.380 4.797 0.167 6 0 "[ . 1]" 1
542 1 54 ASP H 1 54 ASP QB . . 2.820 2.583 2.508 2.812 . 0 0 "[ . 1]" 1
543 1 54 ASP H 1 55 ILE H . . 2.890 1.817 1.772 1.882 . 0 0 "[ . 1]" 1
544 1 54 ASP H 1 55 ILE HA . . 4.710 4.538 4.494 4.564 . 0 0 "[ . 1]" 1
545 1 54 ASP H 1 55 ILE HB . . 4.350 4.147 4.013 4.277 . 0 0 "[ . 1]" 1
546 1 54 ASP H 1 55 ILE MD . . 4.450 4.116 3.560 4.549 0.099 9 0 "[ . 1]" 1
547 1 54 ASP H 1 55 ILE QG . . 3.620 3.332 3.219 3.619 . 0 0 "[ . 1]" 1
548 1 54 ASP H 1 56 GLY H . . 3.950 3.210 2.998 3.403 . 0 0 "[ . 1]" 1
549 1 54 ASP H 1 56 GLY QA . . 5.090 4.859 4.620 5.157 0.067 10 0 "[ . 1]" 1
550 1 54 ASP HA 1 56 GLY H . . 4.390 4.302 3.793 4.525 0.135 8 0 "[ . 1]" 1
551 1 54 ASP HA 1 57 ASN HD21 . . 3.700 3.503 2.641 3.975 0.275 6 0 "[ . 1]" 1
552 1 54 ASP HA 1 57 ASN HD22 . . 4.400 4.220 2.793 4.425 0.025 3 0 "[ . 1]" 1
553 1 54 ASP QB 1 55 ILE H . . 3.280 2.776 2.605 2.909 . 0 0 "[ . 1]" 1
554 1 54 ASP HB2 1 55 ILE H . . 3.890 2.925 2.646 3.258 . 0 0 "[ . 1]" 1
555 1 54 ASP HB2 1 56 GLY H . . 5.500 5.156 4.780 5.478 . 0 0 "[ . 1]" 1
556 1 54 ASP HB3 1 55 ILE H . . 3.890 3.561 3.272 3.891 0.001 6 0 "[ . 1]" 1
557 1 54 ASP HB3 1 56 GLY H . . 5.500 5.452 5.301 5.592 0.092 4 0 "[ . 1]" 1
558 1 55 ILE H 1 55 ILE HB . . 2.890 2.654 2.577 2.715 . 0 0 "[ . 1]" 1
559 1 55 ILE H 1 55 ILE MD . . 3.420 3.057 2.441 3.486 0.066 9 0 "[ . 1]" 1
560 1 55 ILE H 1 55 ILE QG . . 2.990 1.999 1.881 2.238 . 0 0 "[ . 1]" 1
561 1 55 ILE H 1 56 GLY H . . 3.420 2.524 2.403 2.654 . 0 0 "[ . 1]" 1
562 1 55 ILE H 1 56 GLY QA . . 4.980 4.408 4.298 4.533 . 0 0 "[ . 1]" 1
563 1 55 ILE H 1 57 ASN H . . 4.660 4.088 3.908 4.146 . 0 0 "[ . 1]" 1
564 1 55 ILE H 1 76 ALA MB . . 5.500 5.380 5.079 5.559 0.059 2 0 "[ . 1]" 1
565 1 55 ILE HA 1 57 ASN H . . 4.370 3.802 3.492 4.356 . 0 0 "[ . 1]" 1
566 1 55 ILE HB 1 56 GLY H . . 3.080 2.769 2.593 3.057 . 0 0 "[ . 1]" 1
567 1 55 ILE HB 1 63 ARG HH21 . . 5.000 4.737 4.002 5.243 0.243 9 0 "[ . 1]" 1
568 1 55 ILE MD 1 56 GLY H . . 4.740 4.364 3.903 4.634 . 0 0 "[ . 1]" 1
569 1 55 ILE QG 1 56 GLY H . . 4.240 3.899 3.722 4.141 . 0 0 "[ . 1]" 1
570 1 55 ILE MG 1 56 GLY H . . 4.170 3.777 3.616 3.967 . 0 0 "[ . 1]" 1
571 1 55 ILE MG 1 63 ARG HH21 . . 5.090 4.509 3.491 5.141 0.051 9 0 "[ . 1]" 1
572 1 56 GLY H 1 57 ASN H . . 3.360 2.697 2.456 2.818 . 0 0 "[ . 1]" 1
573 1 56 GLY H 1 57 ASN HA . . 5.500 5.217 4.899 5.357 . 0 0 "[ . 1]" 1
574 1 56 GLY H 1 57 ASN HB2 . . 4.750 4.607 4.231 4.836 0.086 6 0 "[ . 1]" 1
575 1 56 GLY H 1 58 LEU H . . 4.600 4.353 4.168 4.550 . 0 0 "[ . 1]" 1
576 1 56 GLY H 1 63 ARG QD . . 4.910 4.813 4.568 5.045 0.135 9 0 "[ . 1]" 1
577 1 56 GLY H 1 63 ARG HG3 . . 5.500 5.549 5.395 5.657 0.157 4 0 "[ . 1]" 1
578 1 56 GLY H 1 76 ALA MB . . 5.500 5.600 5.519 5.762 0.262 6 0 "[ . 1]" 1
579 1 57 ASN H 1 57 ASN HA . . 2.850 2.795 2.762 2.865 0.015 9 0 "[ . 1]" 1
580 1 57 ASN H 1 57 ASN HB2 . . 2.630 2.170 2.070 2.538 . 0 0 "[ . 1]" 1
581 1 57 ASN H 1 57 ASN HD21 . . 4.370 4.056 3.271 4.351 . 0 0 "[ . 1]" 1
582 1 57 ASN H 1 58 LEU H . . 2.710 2.663 2.463 2.747 0.037 10 0 "[ . 1]" 1
583 1 57 ASN H 1 58 LEU MD1 . . 4.670 4.706 4.689 4.757 0.087 9 0 "[ . 1]" 1
584 1 57 ASN H 1 58 LEU MD2 . . 3.460 3.420 3.354 3.560 0.100 6 0 "[ . 1]" 1
585 1 57 ASN HA 1 57 ASN HD21 . . 4.430 4.044 1.832 4.375 . 0 0 "[ . 1]" 1
586 1 57 ASN HA 1 57 ASN HD22 . . 4.550 4.312 3.440 4.501 . 0 0 "[ . 1]" 1
587 1 57 ASN HA 1 58 LEU H . . 3.490 3.459 3.399 3.507 0.017 6 0 "[ . 1]" 1
588 1 57 ASN HB2 1 57 ASN HD21 . . 3.240 2.439 2.178 3.516 0.276 6 0 "[ . 1]" 1
589 1 57 ASN HB2 1 57 ASN HD22 . . 3.670 3.570 3.457 4.077 0.407 6 0 "[ . 1]" 1
590 1 57 ASN HB2 1 58 LEU H . . 3.410 3.244 2.784 3.435 0.025 4 0 "[ . 1]" 1
591 1 57 ASN HB3 1 57 ASN HD21 . . 3.380 2.803 2.612 3.012 . 0 0 "[ . 1]" 1
592 1 57 ASN HB3 1 57 ASN HD22 . . 3.890 3.725 3.638 3.823 . 0 0 "[ . 1]" 1
593 1 57 ASN HB3 1 58 LEU H . . 3.820 3.514 3.237 3.835 0.015 9 0 "[ . 1]" 1
594 1 58 LEU H 1 58 LEU HB2 . . 2.850 2.697 2.611 3.189 0.339 9 0 "[ . 1]" 1
595 1 58 LEU H 1 58 LEU MD1 . . 3.290 3.302 3.172 3.645 0.355 9 0 "[ . 1]" 1
596 1 58 LEU H 1 58 LEU MD2 . . 2.470 2.294 2.096 2.632 0.162 9 0 "[ . 1]" 1
597 1 58 LEU H 1 59 PRO HD3 . . 3.560 3.384 3.307 3.519 . 0 0 "[ . 1]" 1
598 1 58 LEU H 1 62 LEU H . . 4.930 4.814 4.707 4.929 . 0 0 "[ . 1]" 1
599 1 58 LEU H 1 63 ARG H . . 4.730 4.738 4.592 4.815 0.085 4 0 "[ . 1]" 1
600 1 58 LEU H 1 63 ARG QD . . 4.850 4.910 4.753 5.078 0.228 9 0 "[ . 1]" 1
601 1 58 LEU H 1 63 ARG HG2 . . 4.180 4.045 3.769 4.148 . 0 0 "[ . 1]" 1
602 1 58 LEU HA 1 61 VAL H . . 3.700 3.620 3.327 3.713 0.013 6 0 "[ . 1]" 1
603 1 58 LEU HA 1 62 LEU H . . 3.790 3.614 3.474 3.685 . 0 0 "[ . 1]" 1
604 1 58 LEU MD1 1 62 LEU H . . 4.410 4.175 3.458 4.333 . 0 0 "[ . 1]" 1
605 1 58 LEU MD2 1 63 ARG H . . 5.370 5.129 4.962 5.251 . 0 0 "[ . 1]" 1
606 1 59 PRO HA 1 64 LYS H . . 4.280 4.049 4.003 4.097 . 0 0 "[ . 1]" 1
607 1 59 PRO HB2 1 60 GLU H . . 3.400 2.146 2.065 2.597 . 0 0 "[ . 1]" 1
608 1 59 PRO HB2 1 61 VAL H . . 4.390 4.330 4.278 4.610 0.220 9 0 "[ . 1]" 1
609 1 59 PRO HB2 1 64 LYS H . . 5.280 5.317 5.287 5.416 0.136 9 0 "[ . 1]" 1
610 1 59 PRO HB3 1 60 GLU H . . 3.610 3.478 3.435 3.720 0.110 9 0 "[ . 1]" 1
611 1 59 PRO HD2 1 60 GLU H . . 5.500 3.313 2.934 3.384 . 0 0 "[ . 1]" 1
612 1 59 PRO HD2 1 61 VAL H . . 4.960 3.483 3.353 3.520 . 0 0 "[ . 1]" 1
613 1 59 PRO HG2 1 60 GLU H . . 3.510 1.700 1.685 1.730 . 0 0 "[ . 1]" 1
614 1 59 PRO HG2 1 61 VAL H . . 3.720 3.564 3.514 3.654 . 0 0 "[ . 1]" 1
615 1 60 GLU H 1 60 GLU QB . . 3.000 2.526 2.412 2.694 . 0 0 "[ . 1]" 1
616 1 60 GLU H 1 60 GLU QG . . 3.700 2.140 1.933 2.321 . 0 0 "[ . 1]" 1
617 1 60 GLU H 1 61 VAL H . . 3.500 2.598 2.298 2.650 . 0 0 "[ . 1]" 1
618 1 60 GLU H 1 61 VAL MG2 . . 4.390 4.100 3.539 4.326 . 0 0 "[ . 1]" 1
619 1 60 GLU H 1 62 LEU H . . 4.960 4.751 4.693 4.803 . 0 0 "[ . 1]" 1
620 1 60 GLU H 1 64 LYS H . . 4.830 4.806 4.655 4.846 0.016 4 0 "[ . 1]" 1
621 1 60 GLU H 1 64 LYS QD . . 5.500 5.058 4.984 5.212 . 0 0 "[ . 1]" 1
622 1 60 GLU HA 1 64 LYS H . . 3.440 3.388 3.249 3.421 . 0 0 "[ . 1]" 1
623 1 60 GLU QG 1 61 VAL H . . 3.750 2.745 2.637 2.866 . 0 0 "[ . 1]" 1
624 1 61 VAL H 1 61 VAL HB . . 2.400 2.373 2.305 2.426 0.026 9 0 "[ . 1]" 1
625 1 61 VAL H 1 61 VAL MG2 . . 2.820 2.676 2.411 2.831 0.011 6 0 "[ . 1]" 1
626 1 61 VAL H 1 62 LEU H . . 2.610 2.523 2.452 2.757 0.147 9 0 "[ . 1]" 1
627 1 61 VAL H 1 64 LYS H . . 3.900 3.864 3.837 3.892 . 0 0 "[ . 1]" 1
628 1 61 VAL H 1 65 ASN H . . 5.500 5.283 5.176 5.393 . 0 0 "[ . 1]" 1
629 1 61 VAL H 1 65 ASN HD21 . . 5.470 5.426 5.371 5.473 0.003 6 0 "[ . 1]" 1
630 1 61 VAL HA 1 65 ASN HD21 . . 4.510 3.829 3.641 4.233 . 0 0 "[ . 1]" 1
631 1 61 VAL HB 1 62 LEU H . . 2.590 2.317 2.077 2.440 . 0 0 "[ . 1]" 1
632 1 61 VAL HB 1 63 ARG H . . 4.870 4.712 4.326 4.840 . 0 0 "[ . 1]" 1
633 1 61 VAL MG1 1 62 LEU H . . 2.760 2.755 2.604 2.808 0.048 2 0 "[ . 1]" 1
634 1 62 LEU H 1 62 LEU QB . . 2.670 2.312 2.266 2.367 . 0 0 "[ . 1]" 1
635 1 62 LEU H 1 63 ARG H . . 2.630 2.527 2.439 2.590 . 0 0 "[ . 1]" 1
636 1 62 LEU H 1 65 ASN H . . 4.740 4.460 4.395 4.548 . 0 0 "[ . 1]" 1
637 1 62 LEU HA 1 63 ARG H . . 3.510 3.570 3.568 3.571 0.061 4 0 "[ . 1]" 1
638 1 62 LEU HA 1 65 ASN H . . 3.370 3.277 3.212 3.339 . 0 0 "[ . 1]" 1
639 1 62 LEU HA 1 65 ASN HD21 . . 4.100 3.972 3.800 4.080 . 0 0 "[ . 1]" 1
640 1 62 LEU HA 1 66 LEU H . . 3.960 3.570 3.443 3.761 . 0 0 "[ . 1]" 1
641 1 63 ARG H 1 63 ARG HA . . 2.760 2.707 2.690 2.713 . 0 0 "[ . 1]" 1
642 1 63 ARG H 1 63 ARG HB2 . . 3.140 2.636 2.493 2.680 . 0 0 "[ . 1]" 1
643 1 63 ARG H 1 63 ARG HD2 . . 4.380 3.635 3.512 3.882 . 0 0 "[ . 1]" 1
644 1 63 ARG H 1 63 ARG QD . . 3.530 3.103 2.906 3.451 . 0 0 "[ . 1]" 1
645 1 63 ARG H 1 63 ARG HD3 . . 4.380 3.383 3.063 3.867 . 0 0 "[ . 1]" 1
646 1 63 ARG H 1 63 ARG HG2 . . 2.620 2.034 1.960 2.276 . 0 0 "[ . 1]" 1
647 1 63 ARG H 1 63 ARG HG3 . . 3.600 3.562 3.497 3.690 0.090 9 0 "[ . 1]" 1
648 1 63 ARG H 1 66 LEU MD1 . . 5.500 4.771 4.689 4.869 . 0 0 "[ . 1]" 1
649 1 63 ARG HA 1 66 LEU H . . 3.960 3.924 3.796 4.005 0.045 8 0 "[ . 1]" 1
650 1 63 ARG HA 1 67 ASN H . . 4.130 3.935 3.875 3.976 . 0 0 "[ . 1]" 1
651 1 63 ARG HB3 1 67 ASN HD21 . . 4.040 3.531 3.377 3.653 . 0 0 "[ . 1]" 1
652 1 63 ARG HB3 1 67 ASN HD22 . . 4.610 3.948 3.616 4.199 . 0 0 "[ . 1]" 1
653 1 63 ARG QD 1 66 LEU H . . 5.340 5.371 5.277 5.417 0.077 5 0 "[ . 1]" 1
654 1 63 ARG QD 1 67 ASN H . . 5.340 5.326 5.017 5.394 0.054 3 0 "[ . 1]" 1
655 1 63 ARG HG2 1 63 ARG HH21 . . 5.500 5.469 5.334 5.630 0.130 3 0 "[ . 1]" 1
656 1 63 ARG HG3 1 63 ARG HH21 . . 4.630 4.286 4.275 4.344 . 0 0 "[ . 1]" 1
657 1 64 LYS H 1 64 LYS HB2 . . 3.410 2.829 2.792 2.869 . 0 0 "[ . 1]" 1
658 1 64 LYS H 1 64 LYS HB3 . . 2.490 2.288 2.258 2.325 . 0 0 "[ . 1]" 1
659 1 64 LYS H 1 64 LYS QE . . 5.270 5.073 4.677 5.273 0.003 6 0 "[ . 1]" 1
660 1 64 LYS H 1 64 LYS QG . . 4.520 3.892 3.864 3.920 . 0 0 "[ . 1]" 1
661 1 64 LYS H 1 65 ASN H . . 2.740 2.592 2.516 2.686 . 0 0 "[ . 1]" 1
662 1 64 LYS H 1 65 ASN HB2 . . 4.700 4.504 4.458 4.663 . 0 0 "[ . 1]" 1
663 1 64 LYS H 1 65 ASN HD21 . . 4.310 4.050 3.925 4.191 . 0 0 "[ . 1]" 1
664 1 64 LYS HA 1 65 ASN HD21 . . 5.390 4.876 4.650 5.011 . 0 0 "[ . 1]" 1
665 1 64 LYS HA 1 67 ASN H . . 3.800 3.604 3.389 3.767 . 0 0 "[ . 1]" 1
666 1 64 LYS HB3 1 65 ASN H . . 2.690 2.567 2.504 2.654 . 0 0 "[ . 1]" 1
667 1 64 LYS QD 1 65 ASN HD21 . . 4.370 4.258 4.121 4.376 0.006 6 0 "[ . 1]" 1
668 1 64 LYS QE 1 65 ASN HD22 . . 4.080 2.849 2.342 3.131 . 0 0 "[ . 1]" 1
669 1 64 LYS QG 1 65 ASN H . . 3.940 3.091 2.960 3.247 . 0 0 "[ . 1]" 1
670 1 64 LYS QG 1 65 ASN HD21 . . 4.730 2.733 2.440 2.925 . 0 0 "[ . 1]" 1
671 1 64 LYS QG 1 67 ASN H . . 5.150 4.815 4.685 4.916 . 0 0 "[ . 1]" 1
672 1 64 LYS QG 1 67 ASN HD21 . . 5.340 4.520 4.308 4.819 . 0 0 "[ . 1]" 1
673 1 64 LYS QG 1 68 GLU H . . 5.340 5.320 5.130 5.488 0.148 4 0 "[ . 1]" 1
674 1 65 ASN H 1 65 ASN HA . . 2.810 2.821 2.797 2.836 0.026 8 0 "[ . 1]" 1
675 1 65 ASN H 1 65 ASN HB2 . . 2.440 2.240 2.216 2.286 . 0 0 "[ . 1]" 1
676 1 65 ASN H 1 65 ASN HD21 . . 3.730 2.032 1.898 2.122 . 0 0 "[ . 1]" 1
677 1 65 ASN H 1 65 ASN HD22 . . 3.820 3.737 3.603 3.819 . 0 0 "[ . 1]" 1
678 1 65 ASN H 1 66 LEU H . . 2.750 2.739 2.721 2.789 0.039 9 0 "[ . 1]" 1
679 1 65 ASN H 1 66 LEU HG . . 4.120 4.027 3.927 4.097 . 0 0 "[ . 1]" 1
680 1 65 ASN H 1 68 GLU QG . . 5.340 5.275 5.226 5.334 . 0 0 "[ . 1]" 1
681 1 65 ASN HA 1 65 ASN HD21 . . 3.110 2.874 2.771 3.038 . 0 0 "[ . 1]" 1
682 1 65 ASN HA 1 65 ASN HD22 . . 3.930 3.704 3.662 3.795 . 0 0 "[ . 1]" 1
683 1 65 ASN HB2 1 65 ASN HD21 . . 3.380 2.590 2.513 2.680 . 0 0 "[ . 1]" 1
684 1 65 ASN HB2 1 66 LEU H . . 2.960 2.572 2.390 2.749 . 0 0 "[ . 1]" 1
685 1 65 ASN HB3 1 66 LEU H . . 3.400 3.150 3.013 3.296 . 0 0 "[ . 1]" 1
686 1 65 ASN HD21 1 66 LEU H . . 4.470 4.374 4.266 4.467 . 0 0 "[ . 1]" 1
687 1 66 LEU H 1 66 LEU HB2 . . 3.790 3.588 3.581 3.602 . 0 0 "[ . 1]" 1
688 1 66 LEU H 1 66 LEU HB3 . . 2.690 2.531 2.472 2.619 . 0 0 "[ . 1]" 1
689 1 66 LEU H 1 66 LEU MD1 . . 3.590 3.624 3.529 3.676 0.086 4 0 "[ . 1]" 1
690 1 66 LEU H 1 66 LEU MD2 . . 3.560 3.240 3.179 3.263 . 0 0 "[ . 1]" 1
691 1 66 LEU H 1 66 LEU HG . . 2.990 2.196 2.082 2.282 . 0 0 "[ . 1]" 1
692 1 66 LEU H 1 67 ASN H . . 2.730 2.590 2.448 2.705 . 0 0 "[ . 1]" 1
693 1 66 LEU H 1 68 GLU H . . 4.420 4.442 4.321 4.531 0.111 4 0 "[ . 1]" 1
694 1 66 LEU H 1 68 GLU QG . . 5.340 4.961 4.667 5.057 . 0 0 "[ . 1]" 1
695 1 66 LEU H 1 69 SER H . . 4.930 4.638 4.498 4.803 . 0 0 "[ . 1]" 1
696 1 66 LEU HA 1 68 GLU H . . 3.820 3.795 3.673 3.866 0.046 8 0 "[ . 1]" 1
697 1 66 LEU HA 1 69 SER H . . 3.150 2.739 2.694 2.787 . 0 0 "[ . 1]" 1
698 1 66 LEU MD1 1 67 ASN H . . 2.930 2.585 2.528 2.676 . 0 0 "[ . 1]" 1
699 1 66 LEU MD1 1 67 ASN HD21 . . 4.090 3.827 3.635 3.989 . 0 0 "[ . 1]" 1
700 1 66 LEU MD1 1 67 ASN HD22 . . 4.330 4.315 4.125 4.353 0.023 10 0 "[ . 1]" 1
701 1 66 LEU MD1 1 68 GLU H . . 4.510 4.433 4.394 4.483 . 0 0 "[ . 1]" 1
702 1 66 LEU MD2 1 67 ASN H . . 4.590 4.109 4.072 4.144 . 0 0 "[ . 1]" 1
703 1 66 LEU HG 1 67 ASN H . . 2.840 2.471 2.426 2.512 . 0 0 "[ . 1]" 1
704 1 67 ASN H 1 67 ASN HA . . 2.800 2.738 2.733 2.742 . 0 0 "[ . 1]" 1
705 1 67 ASN H 1 67 ASN HB2 . . 2.440 2.079 2.076 2.082 . 0 0 "[ . 1]" 1
706 1 67 ASN H 1 67 ASN HD21 . . 3.620 3.606 3.551 3.638 0.018 3 0 "[ . 1]" 1
707 1 67 ASN H 1 67 ASN HD22 . . 5.010 4.911 4.806 4.964 . 0 0 "[ . 1]" 1
708 1 67 ASN H 1 68 GLU H . . 2.840 2.832 2.806 2.843 0.003 4 0 "[ . 1]" 1
709 1 67 ASN H 1 68 GLU QG . . 4.440 4.121 4.063 4.198 . 0 0 "[ . 1]" 1
710 1 67 ASN H 1 69 SER H . . 3.940 3.832 3.748 3.996 0.056 3 0 "[ . 1]" 1
711 1 67 ASN H 1 70 VAL QG . . 5.010 4.737 4.123 5.035 0.025 5 0 "[ . 1]" 1
712 1 67 ASN HA 1 67 ASN HD21 . . 4.010 3.743 3.474 3.886 . 0 0 "[ . 1]" 1
713 1 67 ASN HA 1 67 ASN HD22 . . 4.250 4.069 3.928 4.147 . 0 0 "[ . 1]" 1
714 1 67 ASN HA 1 68 GLU H . . 3.540 3.514 3.495 3.521 . 0 0 "[ . 1]" 1
715 1 67 ASN HA 1 70 VAL H . . 4.650 4.620 4.205 4.709 0.059 10 0 "[ . 1]" 1
716 1 67 ASN HB2 1 67 ASN HD21 . . 3.110 2.118 2.113 2.137 . 0 0 "[ . 1]" 1
717 1 67 ASN HB2 1 67 ASN HD22 . . 3.590 3.435 3.433 3.443 . 0 0 "[ . 1]" 1
718 1 67 ASN HB2 1 68 GLU H . . 3.490 3.338 3.242 3.387 . 0 0 "[ . 1]" 1
719 1 67 ASN HB2 1 69 SER H . . 5.230 5.053 4.926 5.223 . 0 0 "[ . 1]" 1
720 1 67 ASN HB3 1 67 ASN HD21 . . 3.350 3.247 3.184 3.352 0.002 4 0 "[ . 1]" 1
721 1 67 ASN HB3 1 68 GLU H . . 3.590 3.004 2.891 3.147 . 0 0 "[ . 1]" 1
722 1 68 GLU H 1 68 GLU QB . . 3.270 2.923 2.779 2.981 . 0 0 "[ . 1]" 1
723 1 68 GLU H 1 68 GLU HG2 . . 3.170 2.242 2.053 2.509 . 0 0 "[ . 1]" 1
724 1 68 GLU H 1 68 GLU QG . . 2.640 2.072 2.013 2.165 . 0 0 "[ . 1]" 1
725 1 68 GLU H 1 68 GLU HG3 . . 3.170 2.563 2.216 2.893 . 0 0 "[ . 1]" 1
726 1 68 GLU H 1 69 SER H . . 2.660 2.068 1.966 2.215 . 0 0 "[ . 1]" 1
727 1 68 GLU H 1 69 SER HA . . 5.030 4.748 4.691 4.900 . 0 0 "[ . 1]" 1
728 1 68 GLU H 1 70 VAL H . . 4.350 3.980 3.804 4.257 . 0 0 "[ . 1]" 1
729 1 68 GLU H 1 70 VAL QG . . 4.520 4.250 3.929 4.435 . 0 0 "[ . 1]" 1
730 1 68 GLU HA 1 69 SER H . . 3.550 3.363 3.220 3.462 . 0 0 "[ . 1]" 1
731 1 68 GLU QB 1 70 VAL H . . 5.340 4.750 4.636 4.864 . 0 0 "[ . 1]" 1
732 1 68 GLU QG 1 69 SER H . . 3.740 2.652 2.254 3.127 . 0 0 "[ . 1]" 1
733 1 68 GLU HG2 1 69 SER H . . 4.360 3.583 3.060 3.897 . 0 0 "[ . 1]" 1
734 1 68 GLU HG3 1 69 SER H . . 4.360 2.753 2.281 3.294 . 0 0 "[ . 1]" 1
735 1 69 SER H 1 69 SER QB . . 3.290 2.368 2.198 2.487 . 0 0 "[ . 1]" 1
736 1 69 SER H 1 70 VAL H . . 3.560 2.563 2.431 2.674 . 0 0 "[ . 1]" 1
737 1 69 SER H 1 70 VAL QG . . 4.050 3.715 3.014 4.068 0.018 7 0 "[ . 1]" 1
738 1 69 SER H 1 71 GLN H . . 5.310 5.303 5.191 5.349 0.039 2 0 "[ . 1]" 1
739 1 69 SER HA 1 70 VAL H . . 3.110 3.032 3.008 3.051 . 0 0 "[ . 1]" 1
740 1 69 SER HA 1 71 GLN H . . 3.910 3.839 3.749 3.952 0.042 6 0 "[ . 1]" 1
741 1 69 SER QB 1 70 VAL H . . 3.880 3.692 3.671 3.716 . 0 0 "[ . 1]" 1
742 1 69 SER QB 1 71 GLN H . . 4.450 4.183 3.943 4.404 . 0 0 "[ . 1]" 1
743 1 70 VAL H 1 70 VAL HB . . 2.770 2.653 2.617 2.683 . 0 0 "[ . 1]" 1
744 1 70 VAL H 1 70 VAL QG . . 2.710 2.091 2.009 2.190 . 0 0 "[ . 1]" 1
745 1 70 VAL H 1 71 GLN H . . 3.770 3.629 3.568 3.704 . 0 0 "[ . 1]" 1
746 1 70 VAL H 1 71 GLN QB . . 5.340 5.181 5.018 5.303 . 0 0 "[ . 1]" 1
747 1 70 VAL H 1 71 GLN QE . . 4.580 4.113 3.556 4.655 0.075 8 0 "[ . 1]" 1
748 1 70 VAL HA 1 71 GLN H . . 3.340 2.553 2.515 2.586 . 0 0 "[ . 1]" 1
749 1 70 VAL QG 1 71 GLN H . . 3.670 3.493 3.437 3.596 . 0 0 "[ . 1]" 1
750 1 71 GLN H 1 71 GLN HB2 . . 3.410 2.117 2.081 2.153 . 0 0 "[ . 1]" 1
751 1 71 GLN H 1 71 GLN HB3 . . 3.410 3.362 3.271 3.460 0.050 1 0 "[ . 1]" 1
752 1 71 GLN H 1 71 GLN QG . . 4.080 3.590 2.991 3.879 . 0 0 "[ . 1]" 1
753 1 71 GLN HA 1 71 GLN HE21 . . 4.230 3.068 2.231 3.948 . 0 0 "[ . 1]" 1
754 1 71 GLN HA 1 71 GLN QE . . 3.620 2.891 2.215 3.589 . 0 0 "[ . 1]" 1
755 1 71 GLN HA 1 71 GLN HE22 . . 4.230 3.690 3.006 4.171 . 0 0 "[ . 1]" 1
756 1 71 GLN QB 1 71 GLN QE . . 3.780 2.734 2.023 3.444 . 0 0 "[ . 1]" 1
757 1 71 GLN QE 1 71 GLN QG . . 2.920 2.313 2.126 2.539 . 0 0 "[ . 1]" 1
758 1 71 GLN HE22 1 71 GLN QG . . 3.440 3.341 3.270 3.427 . 0 0 "[ . 1]" 1
759 1 72 PRO HA 1 73 THR H . . 2.830 2.661 2.634 2.701 . 0 0 "[ . 1]" 1
760 1 72 PRO QD 1 73 THR H . . 4.930 4.769 4.734 4.792 . 0 0 "[ . 1]" 1
761 1 72 PRO HG2 1 73 THR H . . 3.830 3.908 3.826 3.963 0.133 5 0 "[ . 1]" 1
762 1 73 THR H 1 73 THR HB . . 3.160 2.826 2.739 2.899 . 0 0 "[ . 1]" 1
763 1 73 THR H 1 73 THR MG . . 3.900 3.843 3.824 3.853 . 0 0 "[ . 1]" 1
764 1 73 THR H 1 74 VAL H . . 4.820 3.979 3.853 4.167 . 0 0 "[ . 1]" 1
765 1 73 THR H 1 75 VAL H . . 5.500 5.783 5.731 5.848 0.348 9 0 "[ . 1]" 1
766 1 73 THR HA 1 74 VAL H . . 2.840 2.260 2.186 2.318 . 0 0 "[ . 1]" 1
767 1 73 THR HB 1 74 VAL H . . 4.300 4.329 4.258 4.400 0.100 6 0 "[ . 1]" 1
768 1 73 THR MG 1 74 VAL H . . 3.390 3.383 3.123 3.500 0.110 6 0 "[ . 1]" 1
769 1 73 THR MG 1 75 VAL H . . 5.290 3.556 3.364 3.717 . 0 0 "[ . 1]" 1
770 1 74 VAL H 1 74 VAL HB . . 3.020 2.595 2.488 2.853 . 0 0 "[ . 1]" 1
771 1 74 VAL H 1 74 VAL MG1 . . 3.980 3.813 3.779 3.833 . 0 0 "[ . 1]" 1
772 1 74 VAL H 1 74 VAL MG2 . . 3.300 2.388 2.129 2.565 . 0 0 "[ . 1]" 1
773 1 74 VAL H 1 75 VAL H . . 4.480 3.823 3.730 3.976 . 0 0 "[ . 1]" 1
774 1 74 VAL HA 1 75 VAL H . . 2.500 2.357 2.305 2.395 . 0 0 "[ . 1]" 1
775 1 74 VAL HA 1 76 ALA H . . 5.500 5.190 4.977 5.342 . 0 0 "[ . 1]" 1
776 1 74 VAL HB 1 76 ALA H . . 5.080 4.757 4.464 5.020 . 0 0 "[ . 1]" 1
777 1 75 VAL H 1 75 VAL HB . . 2.890 2.592 2.480 2.687 . 0 0 "[ . 1]" 1
778 1 75 VAL H 1 76 ALA H . . 4.510 4.219 4.121 4.293 . 0 0 "[ . 1]" 1
779 1 75 VAL H 1 76 ALA MB . . 5.500 5.227 5.106 5.343 . 0 0 "[ . 1]" 1
780 1 75 VAL HA 1 76 ALA H . . 2.830 2.221 2.188 2.268 . 0 0 "[ . 1]" 1
781 1 75 VAL HB 1 76 ALA H . . 5.360 4.430 4.383 4.470 . 0 0 "[ . 1]" 1
782 1 75 VAL QG 1 76 ALA H . . 3.630 3.242 3.151 3.352 . 0 0 "[ . 1]" 1
783 1 76 ALA H 1 76 ALA MB . . 3.010 2.296 2.241 2.355 . 0 0 "[ . 1]" 1
784 1 76 ALA H 1 77 LEU H . . 4.480 4.340 4.106 4.546 0.066 5 0 "[ . 1]" 1
785 1 76 ALA HA 1 77 LEU H . . 2.750 2.178 2.162 2.232 . 0 0 "[ . 1]" 1
786 1 76 ALA MB 1 77 LEU H . . 3.550 3.297 3.032 3.551 0.001 10 0 "[ . 1]" 1
787 1 77 LEU H 1 77 LEU HB2 . . 3.710 2.494 2.061 3.791 0.081 9 0 "[ . 1]" 1
788 1 77 LEU H 1 77 LEU QB . . 3.110 2.291 2.034 3.063 . 0 0 "[ . 1]" 1
789 1 77 LEU H 1 77 LEU HB3 . . 3.710 2.874 2.558 3.247 . 0 0 "[ . 1]" 1
790 1 77 LEU H 1 77 LEU MD1 . . 4.450 4.076 3.398 4.298 . 0 0 "[ . 1]" 1
791 1 77 LEU H 1 77 LEU QD . . 3.830 3.469 2.969 3.808 . 0 0 "[ . 1]" 1
792 1 77 LEU H 1 77 LEU MD2 . . 4.450 3.866 3.039 4.371 . 0 0 "[ . 1]" 1
793 1 77 LEU H 1 78 GLY H . . 5.340 4.388 3.939 4.642 . 0 0 "[ . 1]" 1
794 1 78 GLY QA 1 80 SER H . . 4.630 4.113 3.373 4.620 . 0 0 "[ . 1]" 1
795 1 79 GLY H 1 80 SER H . . 3.960 2.862 1.999 3.870 . 0 0 "[ . 1]" 1
796 1 80 SER H 1 81 GLY H . . 3.740 3.053 2.167 3.687 . 0 0 "[ . 1]" 1
797 1 84 SER QB 1 85 THR H . . 5.500 2.814 2.020 3.755 . 0 0 "[ . 1]" 1
798 1 86 SER QB 1 87 LEU H . . 4.700 2.359 1.985 3.291 . 0 0 "[ . 1]" 1
799 1 90 LYS H 1 91 ILE H . . 4.780 4.183 3.422 4.551 . 0 0 "[ . 1]" 1
800 1 90 LYS H 1 92 LYS H . . 5.500 5.366 4.656 5.504 0.004 5 0 "[ . 1]" 1
801 1 90 LYS QB 1 91 ILE H . . 4.400 2.805 1.940 3.946 . 0 0 "[ . 1]" 1
802 1 90 LYS QE 1 91 ILE H . . 5.430 4.174 2.349 4.998 . 0 0 "[ . 1]" 1
803 1 90 LYS QE 1 92 LYS H . . 5.350 4.633 3.086 5.300 . 0 0 "[ . 1]" 1
804 1 91 ILE H 1 92 LYS H . . 4.580 3.230 1.943 4.521 . 0 0 "[ . 1]" 1
805 1 91 ILE HB 1 92 LYS H . . 4.610 3.624 2.255 4.406 . 0 0 "[ . 1]" 1
806 1 91 ILE MD 1 92 LYS H . . 4.730 4.174 2.315 4.739 0.009 1 0 "[ . 1]" 1
807 1 91 ILE QG 1 92 LYS H . . 4.820 3.659 2.458 4.814 . 0 0 "[ . 1]" 1
808 1 92 LYS H 1 92 LYS QE . . 5.500 5.009 4.472 5.481 . 0 0 "[ . 1]" 1
809 1 93 GLN HA 1 93 GLN QE . . 5.340 4.074 2.815 4.961 . 0 0 "[ . 1]" 1
810 1 94 ALA HA 1 96 GLY H . . 4.720 3.826 3.589 4.185 . 0 0 "[ . 1]" 1
811 1 95 VAL H 1 96 GLY H . . 4.550 2.677 2.529 2.745 . 0 0 "[ . 1]" 1
812 1 95 VAL HA 1 97 VAL H . . 4.620 3.659 3.572 3.859 . 0 0 "[ . 1]" 1
813 1 95 VAL HA 1 99 LEU H . . 5.500 5.372 4.947 5.502 0.002 1 0 "[ . 1]" 1
814 1 97 VAL H 1 99 LEU H . . 4.340 3.962 3.738 4.081 . 0 0 "[ . 1]" 1
815 1 97 VAL HA 1 100 TRP H . . 4.870 3.724 3.514 4.101 . 0 0 "[ . 1]" 1
816 1 97 VAL HA 1 100 TRP HE1 . . 5.160 3.772 2.872 4.952 . 0 0 "[ . 1]" 1
817 1 97 VAL HA 1 101 LYS H . . 5.200 4.583 4.377 5.252 0.052 4 0 "[ . 1]" 1
818 1 98 ASP H 1 99 LEU H . . 5.120 2.557 2.512 2.655 . 0 0 "[ . 1]" 1
819 1 98 ASP HA 1 100 TRP H . . 4.700 4.553 4.322 4.618 . 0 0 "[ . 1]" 1
820 1 98 ASP HA 1 101 LYS H . . 5.500 3.295 3.012 3.378 . 0 0 "[ . 1]" 1
821 1 98 ASP QB 1 99 LEU H . . 4.280 3.070 3.029 3.111 . 0 0 "[ . 1]" 1
822 1 99 LEU H 1 99 LEU QB . . 3.540 2.273 2.201 2.637 . 0 0 "[ . 1]" 1
823 1 99 LEU H 1 99 LEU MD1 . . 5.080 3.985 3.568 4.151 . 0 0 "[ . 1]" 1
824 1 99 LEU H 1 99 LEU QD . . 4.120 3.571 2.706 3.712 . 0 0 "[ . 1]" 1
825 1 99 LEU H 1 99 LEU MD2 . . 5.080 4.080 2.803 4.280 . 0 0 "[ . 1]" 1
826 1 99 LEU H 1 100 TRP H . . 3.550 2.720 2.663 2.928 . 0 0 "[ . 1]" 1
827 1 99 LEU H 1 100 TRP HA . . 5.500 5.309 5.267 5.466 . 0 0 "[ . 1]" 1
828 1 99 LEU H 1 101 LYS H . . 4.290 3.719 3.696 3.787 . 0 0 "[ . 1]" 1
829 1 99 LEU H 1 101 LYS HB3 . . 5.280 5.112 4.969 5.248 . 0 0 "[ . 1]" 1
830 1 99 LEU QB 1 100 TRP H . . 3.990 2.305 2.249 2.326 . 0 0 "[ . 1]" 1
831 1 99 LEU HB2 1 100 TRP H . . 4.620 3.564 2.327 3.742 . 0 0 "[ . 1]" 1
832 1 99 LEU HB3 1 100 TRP H . . 4.620 2.461 2.271 3.661 . 0 0 "[ . 1]" 1
833 1 99 LEU QD 1 100 TRP H . . 4.310 3.685 3.598 3.850 . 0 0 "[ . 1]" 1
834 1 99 LEU HG 1 100 TRP H . . 4.310 3.753 3.680 3.871 . 0 0 "[ . 1]" 1
835 1 99 LEU HG 1 101 LYS H . . 5.500 5.441 5.391 5.492 . 0 0 "[ . 1]" 1
836 1 100 TRP H 1 100 TRP HB2 . . 3.750 3.544 3.505 3.609 . 0 0 "[ . 1]" 1
837 1 100 TRP H 1 100 TRP QB . . 3.090 2.288 2.179 2.621 . 0 0 "[ . 1]" 1
838 1 100 TRP H 1 100 TRP HB3 . . 3.750 2.320 2.200 2.692 . 0 0 "[ . 1]" 1
839 1 100 TRP H 1 100 TRP HD1 . . 4.100 3.136 2.853 4.020 . 0 0 "[ . 1]" 1
840 1 100 TRP H 1 100 TRP HE1 . . 5.310 5.145 4.791 5.314 0.004 8 0 "[ . 1]" 1
841 1 100 TRP H 1 101 LYS H . . 3.770 2.489 2.453 2.502 . 0 0 "[ . 1]" 1
842 1 100 TRP H 1 101 LYS HB2 . . 4.580 4.487 4.410 4.580 . 7 0 "[ . 1]" 1
843 1 100 TRP HA 1 101 LYS H . . 3.570 3.460 3.410 3.482 . 0 0 "[ . 1]" 1
844 1 100 TRP QB 1 100 TRP HE1 . . 4.560 4.440 4.420 4.510 . 0 0 "[ . 1]" 1
845 1 100 TRP QB 1 101 LYS H . . 4.370 3.530 3.481 3.679 . 0 0 "[ . 1]" 1
846 1 100 TRP HE1 1 101 LYS H . . 4.560 4.445 4.243 4.555 . 0 0 "[ . 1]" 1
847 1 100 TRP HE1 1 101 LYS HA . . 4.780 4.619 4.214 4.810 0.030 2 0 "[ . 1]" 1
848 1 100 TRP HE1 1 101 LYS HB2 . . 4.420 4.059 3.677 4.363 . 0 0 "[ . 1]" 1
849 1 101 LYS H 1 101 LYS HB3 . . 3.770 2.802 2.728 2.897 . 0 0 "[ . 1]" 1
850 1 101 LYS H 1 101 LYS QG . . 4.190 3.898 3.819 3.967 . 0 0 "[ . 1]" 1
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