NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404118 |
1wxp   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wxp
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 2072
_Distance_constraint_stats_list.Viol_count 2832
_Distance_constraint_stats_list.Viol_total 3451.132
_Distance_constraint_stats_list.Viol_max 0.969
_Distance_constraint_stats_list.Viol_rms 0.0304
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0609
_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 7 GLY 0.545 0.545 3 1 "[ + . 1 . 2]"
1 8 PRO 0.545 0.545 3 1 "[ + . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.248 0.112 14 0 "[ . 1 . 2]"
1 11 ARG 3.895 0.541 1 1 "[+ . 1 . 2]"
1 12 ARG 8.983 0.969 7 5 "[ * .*+* 1 . -2]"
1 13 ASP 0.131 0.066 20 0 "[ . 1 . 2]"
1 14 LYS 3.049 0.560 19 1 "[ . 1 . +2]"
1 15 PRO 2.121 0.114 15 0 "[ . 1 . 2]"
1 16 VAL 4.322 0.507 19 1 "[ . 1 . +2]"
1 17 THR 0.565 0.065 13 0 "[ . 1 . 2]"
1 18 GLY 0.511 0.058 16 0 "[ . 1 . 2]"
1 19 GLU 0.296 0.048 19 0 "[ . 1 . 2]"
1 20 GLN 6.000 0.363 2 0 "[ . 1 . 2]"
1 21 ILE 4.104 0.194 7 0 "[ . 1 . 2]"
1 22 GLU 0.358 0.086 15 0 "[ . 1 . 2]"
1 23 VAL 2.287 0.106 19 0 "[ . 1 . 2]"
1 24 PHE 9.288 0.363 2 0 "[ . 1 . 2]"
1 25 ALA 1.210 0.065 9 0 "[ . 1 . 2]"
1 26 ASN 0.830 0.163 4 0 "[ . 1 . 2]"
1 27 LYS 5.230 0.347 4 0 "[ . 1 . 2]"
1 28 LEU 3.424 0.347 4 0 "[ . 1 . 2]"
1 29 GLY 0.843 0.098 18 0 "[ . 1 . 2]"
1 30 GLU 1.631 0.383 11 0 "[ . 1 . 2]"
1 31 GLN 5.194 0.358 16 0 "[ . 1 . 2]"
1 32 TRP 4.912 0.432 9 0 "[ . 1 . 2]"
1 33 LYS 0.467 0.088 19 0 "[ . 1 . 2]"
1 34 ILE 5.897 0.358 16 0 "[ . 1 . 2]"
1 35 LEU 8.527 0.295 8 0 "[ . 1 . 2]"
1 36 ALA 6.431 0.184 5 0 "[ . 1 . 2]"
1 37 PRO 1.637 0.061 20 0 "[ . 1 . 2]"
1 38 TYR 3.146 0.131 16 0 "[ . 1 . 2]"
1 39 LEU 3.413 0.092 2 0 "[ . 1 . 2]"
1 40 GLU 1.440 0.187 20 0 "[ . 1 . 2]"
1 41 MET 4.241 0.195 3 0 "[ . 1 . 2]"
1 42 LYS 13.621 0.957 9 7 "[ * .* +1 . -***]"
1 43 ASP 0.104 0.019 13 0 "[ . 1 . 2]"
1 44 SER 1.344 0.472 15 0 "[ . 1 . 2]"
1 45 GLU 8.598 0.805 20 2 "[ - . 1 . +]"
1 46 ILE 0.921 0.071 5 0 "[ . 1 . 2]"
1 47 ARG 7.793 0.472 15 0 "[ . 1 . 2]"
1 48 GLN 7.103 0.441 16 0 "[ . 1 . 2]"
1 49 ILE 4.883 0.441 16 0 "[ . 1 . 2]"
1 50 GLU 3.833 0.160 12 0 "[ . 1 . 2]"
1 51 CYS 2.115 0.148 18 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 3.073 0.610 19 2 "[ . 1- . +2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASP 0.599 0.368 19 0 "[ . 1 . 2]"
1 56 MET 4.917 0.432 9 0 "[ . 1 . 2]"
1 57 LYS 1.510 0.163 4 0 "[ . 1 . 2]"
1 58 MET 2.746 0.610 19 2 "[ . 1- . +2]"
1 59 ARG 1.705 0.369 18 0 "[ . 1 . 2]"
1 60 ALA 0.652 0.063 18 0 "[ . 1 . 2]"
1 61 LYS 0.216 0.023 17 0 "[ . 1 . 2]"
1 62 GLN 0.278 0.074 6 0 "[ . 1 . 2]"
1 63 LEU 1.180 0.131 7 0 "[ . 1 . 2]"
1 64 LEU 0.602 0.051 8 0 "[ . 1 . 2]"
1 65 VAL 0.652 0.054 12 0 "[ . 1 . 2]"
1 66 ALA 3.474 0.600 3 2 "[ + . -1 . 2]"
1 67 TRP 8.867 0.781 17 6 "[ * * 1 .*+ -*]"
1 68 GLN 10.581 0.730 19 2 "[ . * 1 . +2]"
1 69 ASP 3.476 0.730 19 3 "[ * . -1 . +2]"
1 70 GLN 8.182 0.781 17 4 "[ - 1 .*+ *]"
1 71 GLU 0.742 0.082 18 0 "[ . 1 . 2]"
1 72 GLY 1.254 0.375 20 0 "[ . 1 . 2]"
1 73 VAL 2.550 0.375 20 0 "[ . 1 . 2]"
1 74 HIS 1.249 0.288 19 0 "[ . 1 . 2]"
1 75 ALA 1.082 0.127 7 0 "[ . 1 . 2]"
1 76 THR 1.291 0.098 19 0 "[ . 1 . 2]"
1 77 PRO 1.055 0.078 19 0 "[ . 1 . 2]"
1 78 GLU 10.558 0.969 7 5 "[ * .*+* 1 . -2]"
1 79 ASN 2.920 0.321 13 0 "[ . 1 . 2]"
1 80 LEU 0.560 0.156 17 0 "[ . 1 . 2]"
1 81 ILE 1.648 0.076 10 0 "[ . 1 . 2]"
1 82 ASN 0.940 0.065 18 0 "[ . 1 . 2]"
1 83 ALA 1.302 0.075 13 0 "[ . 1 . 2]"
1 84 LEU 1.694 0.156 17 0 "[ . 1 . 2]"
1 85 ASN 2.099 0.115 12 0 "[ . 1 . 2]"
1 86 LYS 4.239 0.209 15 0 "[ . 1 . 2]"
1 87 SER 5.887 0.192 16 0 "[ . 1 . 2]"
1 88 GLY 1.511 0.107 3 0 "[ . 1 . 2]"
1 89 LEU 3.045 0.192 16 0 "[ . 1 . 2]"
1 90 SER 0.008 0.008 3 0 "[ . 1 . 2]"
1 91 ASP 0.224 0.224 14 0 "[ . 1 . 2]"
1 92 LEU 3.704 0.172 18 0 "[ . 1 . 2]"
1 93 ALA 0.696 0.069 12 0 "[ . 1 . 2]"
1 94 GLU 3.081 0.809 14 1 "[ . 1 +. 2]"
1 95 SER 1.969 0.809 14 1 "[ . 1 +. 2]"
1 96 LEU 8.812 0.637 16 1 "[ . 1 .+ 2]"
1 97 THR 6.643 0.906 10 2 "[ . + .- 2]"
1 98 ASN 3.794 0.906 10 1 "[ . + . 2]"
1 99 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLU 0.475 0.310 8 0 "[ . 1 . 2]"
1 102 THR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY HA2 1 8 PRO QG . . 4.650 4.119 3.825 5.195 0.545 3 1 "[ + . 1 . 2]" 1
2 1 9 ASP H 1 10 VAL H . . 4.860 4.072 3.015 4.647 . 0 0 "[ . 1 . 2]" 1
3 1 9 ASP HA 1 10 VAL H . . 3.260 2.452 2.254 2.710 . 0 0 "[ . 1 . 2]" 1
4 1 9 ASP HA 1 10 VAL QG . . 4.790 3.719 2.987 4.321 . 0 0 "[ . 1 . 2]" 1
5 1 9 ASP HB2 1 10 VAL H . . 5.210 4.114 2.875 4.731 . 0 0 "[ . 1 . 2]" 1
6 1 9 ASP HB3 1 10 VAL H . . 5.110 3.614 2.195 4.605 . 0 0 "[ . 1 . 2]" 1
7 1 10 VAL H 1 10 VAL HB . . 3.730 3.110 2.022 3.752 0.022 12 0 "[ . 1 . 2]" 1
8 1 10 VAL H 1 10 VAL QG . . 3.480 2.524 1.913 3.110 . 0 0 "[ . 1 . 2]" 1
9 1 10 VAL H 1 11 ARG H . . 4.310 3.678 2.556 4.349 0.039 11 0 "[ . 1 . 2]" 1
10 1 10 VAL HA 1 10 VAL QG . . 3.150 2.228 2.060 2.473 . 0 0 "[ . 1 . 2]" 1
11 1 10 VAL HA 1 11 ARG H . . 3.470 2.461 2.189 3.582 0.112 14 0 "[ . 1 . 2]" 1
12 1 10 VAL HB 1 11 ARG H . . 4.970 4.095 1.944 4.686 . 0 0 "[ . 1 . 2]" 1
13 1 10 VAL QG 1 11 ARG H . . 4.540 3.123 2.127 3.615 . 0 0 "[ . 1 . 2]" 1
14 1 10 VAL QG 1 11 ARG HA . . 4.680 3.615 2.828 4.246 . 0 0 "[ . 1 . 2]" 1
15 1 11 ARG H 1 11 ARG HB3 . . 4.050 3.467 2.677 4.104 0.054 12 0 "[ . 1 . 2]" 1
16 1 11 ARG H 1 11 ARG HG2 . . 4.480 4.316 2.732 4.831 0.351 20 0 "[ . 1 . 2]" 1
17 1 11 ARG H 1 11 ARG HG3 . . 4.780 4.158 3.064 4.780 0.000 16 0 "[ . 1 . 2]" 1
18 1 11 ARG H 1 12 ARG H . . 5.330 3.607 2.061 4.626 . 0 0 "[ . 1 . 2]" 1
19 1 11 ARG HA 1 11 ARG HD3 . . 3.860 3.683 2.834 4.401 0.541 1 1 "[+ . 1 . 2]" 1
20 1 11 ARG HA 1 11 ARG HG2 . . 4.080 2.832 1.978 3.696 . 0 0 "[ . 1 . 2]" 1
21 1 11 ARG HA 1 11 ARG HG3 . . 3.690 2.746 1.980 3.599 . 0 0 "[ . 1 . 2]" 1
22 1 11 ARG HB2 1 11 ARG HG3 . . 3.030 2.629 2.265 3.044 0.014 12 0 "[ . 1 . 2]" 1
23 1 11 ARG HB3 1 11 ARG HD3 . . 3.600 3.190 2.004 3.659 0.059 14 0 "[ . 1 . 2]" 1
24 1 11 ARG HB3 1 11 ARG HG3 . . 2.940 2.836 2.603 2.990 0.050 7 0 "[ . 1 . 2]" 1
25 1 12 ARG H 1 12 ARG HG2 . . 5.330 3.232 1.927 4.911 . 0 0 "[ . 1 . 2]" 1
26 1 12 ARG H 1 13 ASP H . . 5.290 3.910 2.656 4.662 . 0 0 "[ . 1 . 2]" 1
27 1 12 ARG HA 1 12 ARG QD . . 4.080 4.014 2.665 4.298 0.218 8 0 "[ . 1 . 2]" 1
28 1 12 ARG HA 1 12 ARG HG2 . . 4.000 3.390 2.645 4.059 0.059 15 0 "[ . 1 . 2]" 1
29 1 12 ARG HA 1 12 ARG HG3 . . 3.790 3.369 2.159 4.056 0.266 19 0 "[ . 1 . 2]" 1
30 1 12 ARG HA 1 14 LYS H . . 4.780 4.096 3.624 4.491 . 0 0 "[ . 1 . 2]" 1
31 1 12 ARG HA 1 77 PRO HB2 . . 4.300 4.145 3.723 4.327 0.027 1 0 "[ . 1 . 2]" 1
32 1 12 ARG HA 1 77 PRO HD2 . . 4.350 3.162 2.059 3.990 . 0 0 "[ . 1 . 2]" 1
33 1 12 ARG HA 1 77 PRO HG2 . . 4.500 2.143 1.903 2.633 . 0 0 "[ . 1 . 2]" 1
34 1 12 ARG HA 1 77 PRO HG3 . . 4.450 3.454 2.897 4.043 . 0 0 "[ . 1 . 2]" 1
35 1 12 ARG HA 1 78 GLU H . . 4.760 3.967 3.096 4.553 . 0 0 "[ . 1 . 2]" 1
36 1 12 ARG HA 1 78 GLU HB2 . . 3.950 3.879 3.156 4.204 0.254 16 0 "[ . 1 . 2]" 1
37 1 12 ARG QB 1 13 ASP H . . 5.150 3.424 1.909 4.109 . 0 0 "[ . 1 . 2]" 1
38 1 12 ARG QB 1 77 PRO HG2 . . 3.420 2.821 2.249 3.287 . 0 0 "[ . 1 . 2]" 1
39 1 12 ARG QB 1 78 GLU H . . 4.230 2.862 2.167 3.341 . 0 0 "[ . 1 . 2]" 1
40 1 12 ARG QB 1 78 GLU HB2 . . 4.050 1.887 1.748 2.164 . 0 0 "[ . 1 . 2]" 1
41 1 12 ARG QB 1 78 GLU HG2 . . 4.230 3.844 3.325 4.699 0.469 10 0 "[ . 1 . 2]" 1
42 1 12 ARG QD 1 78 GLU H . . 5.030 4.686 3.648 5.108 0.078 1 0 "[ . 1 . 2]" 1
43 1 12 ARG QD 1 78 GLU HB2 . . 4.280 3.459 2.408 4.368 0.088 5 0 "[ . 1 . 2]" 1
44 1 12 ARG HG2 1 13 ASP H . . 5.500 4.859 1.981 5.566 0.066 20 0 "[ . 1 . 2]" 1
45 1 12 ARG HG2 1 78 GLU HB2 . . 4.010 4.133 3.255 4.979 0.969 7 5 "[ * .*+* 1 . -2]" 1
46 1 13 ASP H 1 13 ASP HB2 . . 4.150 3.234 2.456 3.804 . 0 0 "[ . 1 . 2]" 1
47 1 13 ASP H 1 14 LYS H . . 3.710 2.170 1.845 3.611 . 0 0 "[ . 1 . 2]" 1
48 1 13 ASP HB2 1 14 LYS H . . 4.620 3.480 2.764 3.852 . 0 0 "[ . 1 . 2]" 1
49 1 13 ASP HB3 1 14 LYS H . . 4.440 2.591 1.960 4.189 . 0 0 "[ . 1 . 2]" 1
50 1 14 LYS H 1 14 LYS HB2 . . 3.450 2.618 2.117 4.010 0.560 19 1 "[ . 1 . +2]" 1
51 1 14 LYS H 1 14 LYS HB3 . . 3.890 3.294 2.090 3.644 . 0 0 "[ . 1 . 2]" 1
52 1 14 LYS H 1 14 LYS QD . . 4.880 4.372 2.239 4.864 . 0 0 "[ . 1 . 2]" 1
53 1 14 LYS H 1 14 LYS HG2 . . 3.870 3.231 2.617 3.978 0.108 9 0 "[ . 1 . 2]" 1
54 1 14 LYS H 1 14 LYS HG3 . . 4.310 3.571 2.504 4.145 . 0 0 "[ . 1 . 2]" 1
55 1 14 LYS H 1 15 PRO QD . . 4.990 4.315 4.270 4.337 . 0 0 "[ . 1 . 2]" 1
56 1 14 LYS H 1 76 THR MG . . 4.550 4.287 3.635 4.570 0.020 1 0 "[ . 1 . 2]" 1
57 1 14 LYS H 1 77 PRO HD2 . . 4.600 4.486 4.026 4.661 0.061 1 0 "[ . 1 . 2]" 1
58 1 14 LYS H 1 77 PRO HD3 . . 5.100 4.806 3.955 5.117 0.017 15 0 "[ . 1 . 2]" 1
59 1 14 LYS H 1 77 PRO HG2 . . 5.380 5.092 4.327 5.453 0.073 13 0 "[ . 1 . 2]" 1
60 1 14 LYS HA 1 14 LYS QD . . 4.000 3.214 2.001 4.201 0.201 19 0 "[ . 1 . 2]" 1
61 1 14 LYS HA 1 14 LYS HG2 . . 3.930 2.751 1.994 4.000 0.070 16 0 "[ . 1 . 2]" 1
62 1 14 LYS HA 1 14 LYS HG3 . . 3.900 3.376 2.293 3.638 . 0 0 "[ . 1 . 2]" 1
63 1 14 LYS HA 1 15 PRO QD . . 2.990 2.049 1.980 2.195 . 0 0 "[ . 1 . 2]" 1
64 1 14 LYS HA 1 15 PRO HG3 . . 4.370 4.345 4.286 4.472 0.102 19 0 "[ . 1 . 2]" 1
65 1 14 LYS HB2 1 15 PRO QD . . 3.790 3.092 1.885 3.535 . 0 0 "[ . 1 . 2]" 1
66 1 14 LYS HB3 1 15 PRO QD . . 3.570 2.317 1.956 3.381 . 0 0 "[ . 1 . 2]" 1
67 1 14 LYS QD 1 15 PRO QD . . 4.060 2.399 1.851 3.736 . 0 0 "[ . 1 . 2]" 1
68 1 14 LYS HG2 1 15 PRO QD . . 4.560 3.388 2.347 4.438 . 0 0 "[ . 1 . 2]" 1
69 1 14 LYS HG3 1 15 PRO QD . . 4.910 3.499 2.052 4.104 . 0 0 "[ . 1 . 2]" 1
70 1 15 PRO HA 1 16 VAL H . . 3.000 2.191 2.157 2.280 . 0 0 "[ . 1 . 2]" 1
71 1 15 PRO HA 1 16 VAL HA . . 4.420 4.234 4.208 4.256 . 0 0 "[ . 1 . 2]" 1
72 1 15 PRO HA 1 16 VAL MG1 . . 3.850 3.909 3.880 3.964 0.114 15 0 "[ . 1 . 2]" 1
73 1 15 PRO HA 1 16 VAL MG2 . . 3.850 3.628 3.556 3.716 . 0 0 "[ . 1 . 2]" 1
74 1 15 PRO HA 1 75 ALA H . . 5.430 4.691 4.124 5.246 . 0 0 "[ . 1 . 2]" 1
75 1 15 PRO HA 1 75 ALA MB . . 4.130 4.085 3.933 4.221 0.091 19 0 "[ . 1 . 2]" 1
76 1 15 PRO HA 1 76 THR H . . 4.930 4.142 3.757 4.381 . 0 0 "[ . 1 . 2]" 1
77 1 15 PRO HA 1 76 THR HA . . 3.500 2.029 1.974 2.133 . 0 0 "[ . 1 . 2]" 1
78 1 15 PRO HA 1 76 THR HB . . 4.390 3.857 2.906 4.119 . 0 0 "[ . 1 . 2]" 1
79 1 15 PRO HA 1 76 THR MG . . 3.330 2.193 1.941 2.457 . 0 0 "[ . 1 . 2]" 1
80 1 15 PRO HB2 1 16 VAL H . . 3.980 3.478 3.137 3.665 . 0 0 "[ . 1 . 2]" 1
81 1 15 PRO HB2 1 16 VAL MG2 . . 4.790 3.685 3.462 3.820 . 0 0 "[ . 1 . 2]" 1
82 1 15 PRO HB2 1 73 VAL HA . . 3.870 3.092 2.878 3.451 . 0 0 "[ . 1 . 2]" 1
83 1 15 PRO HB2 1 75 ALA MB . . 4.630 3.387 3.007 3.639 . 0 0 "[ . 1 . 2]" 1
84 1 15 PRO HB2 1 76 THR HA . . 4.920 4.463 4.274 4.606 . 0 0 "[ . 1 . 2]" 1
85 1 15 PRO HB2 1 76 THR MG . . 4.270 3.965 3.567 4.229 . 0 0 "[ . 1 . 2]" 1
86 1 15 PRO HB3 1 16 VAL H . . 4.180 3.851 3.631 3.978 . 0 0 "[ . 1 . 2]" 1
87 1 15 PRO HB3 1 16 VAL MG2 . . 4.630 4.359 4.232 4.447 . 0 0 "[ . 1 . 2]" 1
88 1 15 PRO HB3 1 73 VAL HA . . 4.350 2.914 2.235 3.895 . 0 0 "[ . 1 . 2]" 1
89 1 15 PRO HB3 1 75 ALA MB . . 5.230 3.483 3.224 3.781 . 0 0 "[ . 1 . 2]" 1
90 1 15 PRO HB3 1 76 THR HA . . 5.070 3.836 3.601 4.001 . 0 0 "[ . 1 . 2]" 1
91 1 15 PRO HB3 1 76 THR MG . . 4.200 2.694 2.151 3.079 . 0 0 "[ . 1 . 2]" 1
92 1 15 PRO QD 1 76 THR MG . . 4.690 3.286 3.090 3.564 . 0 0 "[ . 1 . 2]" 1
93 1 15 PRO HG2 1 73 VAL HA . . 3.450 3.114 2.560 3.460 0.010 19 0 "[ . 1 . 2]" 1
94 1 15 PRO HG2 1 73 VAL MG1 . . 4.380 3.986 3.526 4.447 0.067 16 0 "[ . 1 . 2]" 1
95 1 15 PRO HG2 1 73 VAL MG2 . . 4.930 4.340 1.958 4.977 0.047 15 0 "[ . 1 . 2]" 1
96 1 15 PRO HG2 1 76 THR MG . . 4.770 4.653 4.422 4.798 0.028 1 0 "[ . 1 . 2]" 1
97 1 15 PRO HG3 1 73 VAL MG1 . . 4.630 3.503 2.955 4.309 . 0 0 "[ . 1 . 2]" 1
98 1 15 PRO HG3 1 73 VAL MG2 . . 5.010 3.338 1.936 3.992 . 0 0 "[ . 1 . 2]" 1
99 1 15 PRO HG3 1 76 THR MG . . 4.010 3.841 3.565 4.025 0.015 17 0 "[ . 1 . 2]" 1
100 1 16 VAL H 1 16 VAL HB . . 3.680 3.514 3.489 3.538 . 0 0 "[ . 1 . 2]" 1
101 1 16 VAL H 1 16 VAL MG1 . . 3.340 2.287 2.161 2.450 . 0 0 "[ . 1 . 2]" 1
102 1 16 VAL H 1 16 VAL MG2 . . 3.110 2.027 1.866 2.181 . 0 0 "[ . 1 . 2]" 1
103 1 16 VAL H 1 67 TRP HZ3 . . 5.500 4.440 4.250 4.832 . 0 0 "[ . 1 . 2]" 1
104 1 16 VAL H 1 68 GLN HE21 . . 5.500 4.047 3.778 4.356 . 0 0 "[ . 1 . 2]" 1
105 1 16 VAL H 1 68 GLN HE22 . . 5.500 4.680 3.163 5.501 0.001 3 0 "[ . 1 . 2]" 1
106 1 16 VAL H 1 75 ALA MB . . 4.710 3.655 3.354 3.898 . 0 0 "[ . 1 . 2]" 1
107 1 16 VAL H 1 76 THR H . . 5.030 4.581 4.316 4.790 . 0 0 "[ . 1 . 2]" 1
108 1 16 VAL H 1 76 THR HA . . 3.910 2.319 1.956 2.529 . 0 0 "[ . 1 . 2]" 1
109 1 16 VAL H 1 76 THR HB . . 5.050 4.781 4.073 4.990 . 0 0 "[ . 1 . 2]" 1
110 1 16 VAL H 1 76 THR MG . . 4.010 3.832 3.591 4.022 0.012 8 0 "[ . 1 . 2]" 1
111 1 16 VAL H 1 77 PRO HD3 . . 4.240 2.828 2.673 3.091 . 0 0 "[ . 1 . 2]" 1
112 1 16 VAL HA 1 16 VAL MG1 . . 3.240 2.252 2.198 2.292 . 0 0 "[ . 1 . 2]" 1
113 1 16 VAL HA 1 16 VAL MG2 . . 3.500 3.189 3.181 3.201 . 0 0 "[ . 1 . 2]" 1
114 1 16 VAL HA 1 17 THR H . . 3.050 2.400 2.315 2.597 . 0 0 "[ . 1 . 2]" 1
115 1 16 VAL HA 1 17 THR HA . . 4.810 4.446 4.410 4.512 . 0 0 "[ . 1 . 2]" 1
116 1 16 VAL HA 1 17 THR MG . . 3.870 3.447 3.105 3.785 . 0 0 "[ . 1 . 2]" 1
117 1 16 VAL HA 1 20 GLN H . . 5.500 4.831 4.507 5.248 . 0 0 "[ . 1 . 2]" 1
118 1 16 VAL HA 1 20 GLN HB3 . . 4.520 3.997 3.708 4.434 . 0 0 "[ . 1 . 2]" 1
119 1 16 VAL HA 1 76 THR HA . . 5.130 4.576 4.159 4.829 . 0 0 "[ . 1 . 2]" 1
120 1 16 VAL HA 1 77 PRO HD3 . . 4.500 3.762 3.347 4.239 . 0 0 "[ . 1 . 2]" 1
121 1 16 VAL HB 1 17 THR H . . 3.730 2.664 2.220 2.881 . 0 0 "[ . 1 . 2]" 1
122 1 16 VAL HB 1 21 ILE MD . . 4.260 4.250 3.966 4.310 0.050 16 0 "[ . 1 . 2]" 1
123 1 16 VAL HB 1 67 TRP HZ3 . . 5.210 4.089 3.860 4.397 . 0 0 "[ . 1 . 2]" 1
124 1 16 VAL HB 1 68 GLN HE22 . . 4.520 3.453 2.743 4.891 0.371 7 0 "[ . 1 . 2]" 1
125 1 16 VAL MG1 1 17 THR H . . 3.810 3.532 3.409 3.668 . 0 0 "[ . 1 . 2]" 1
126 1 16 VAL MG1 1 20 GLN HB2 . . 3.710 2.906 2.675 3.159 . 0 0 "[ . 1 . 2]" 1
127 1 16 VAL MG1 1 20 GLN HB3 . . 3.610 2.654 2.436 2.974 . 0 0 "[ . 1 . 2]" 1
128 1 16 VAL MG1 1 20 GLN HE21 . . 5.480 4.089 3.273 4.721 . 0 0 "[ . 1 . 2]" 1
129 1 16 VAL MG1 1 20 GLN HE22 . . 5.430 3.635 2.969 4.216 . 0 0 "[ . 1 . 2]" 1
130 1 16 VAL MG1 1 20 GLN HG2 . . 4.690 4.441 4.254 4.707 0.017 7 0 "[ . 1 . 2]" 1
131 1 16 VAL MG1 1 20 GLN HG3 . . 4.860 4.056 3.858 4.351 . 0 0 "[ . 1 . 2]" 1
132 1 16 VAL MG1 1 21 ILE H . . 4.470 4.489 4.437 4.516 0.046 4 0 "[ . 1 . 2]" 1
133 1 16 VAL MG1 1 21 ILE HA . . 4.500 4.458 4.207 4.551 0.051 6 0 "[ . 1 . 2]" 1
134 1 16 VAL MG1 1 24 PHE QD . . 3.750 3.056 2.815 3.302 . 0 0 "[ . 1 . 2]" 1
135 1 16 VAL MG1 1 24 PHE QE . . 3.970 3.083 2.601 3.254 . 0 0 "[ . 1 . 2]" 1
136 1 16 VAL MG1 1 24 PHE HZ . . 4.840 4.698 4.446 4.879 0.039 13 0 "[ . 1 . 2]" 1
137 1 16 VAL MG1 1 67 TRP HZ3 . . 3.650 3.322 3.146 3.529 . 0 0 "[ . 1 . 2]" 1
138 1 16 VAL MG1 1 68 GLN HE22 . . 5.150 4.678 4.185 5.281 0.131 13 0 "[ . 1 . 2]" 1
139 1 16 VAL MG1 1 76 THR HA . . 3.890 3.049 2.687 3.308 . 0 0 "[ . 1 . 2]" 1
140 1 16 VAL MG1 1 77 PRO HA . . 3.910 2.859 2.630 3.145 . 0 0 "[ . 1 . 2]" 1
141 1 16 VAL MG1 1 77 PRO HB3 . . 4.530 2.401 2.143 2.728 . 0 0 "[ . 1 . 2]" 1
142 1 16 VAL MG1 1 77 PRO HD2 . . 4.180 3.737 3.409 4.089 . 0 0 "[ . 1 . 2]" 1
143 1 16 VAL MG1 1 77 PRO HD3 . . 3.650 2.375 1.944 2.668 . 0 0 "[ . 1 . 2]" 1
144 1 16 VAL MG1 1 77 PRO HG3 . . 4.090 2.642 2.362 3.009 . 0 0 "[ . 1 . 2]" 1
145 1 16 VAL MG2 1 17 THR H . . 3.960 3.878 3.567 3.992 0.032 16 0 "[ . 1 . 2]" 1
146 1 16 VAL MG2 1 21 ILE HA . . 4.740 4.079 3.608 4.308 . 0 0 "[ . 1 . 2]" 1
147 1 16 VAL MG2 1 21 ILE MD . . 3.680 3.181 2.935 3.438 . 0 0 "[ . 1 . 2]" 1
148 1 16 VAL MG2 1 21 ILE HG13 . . 3.920 3.182 2.790 3.613 . 0 0 "[ . 1 . 2]" 1
149 1 16 VAL MG2 1 67 TRP HE3 . . 4.440 3.501 3.415 3.673 . 0 0 "[ . 1 . 2]" 1
150 1 16 VAL MG2 1 67 TRP HH2 . . 3.870 2.552 2.371 2.751 . 0 0 "[ . 1 . 2]" 1
151 1 16 VAL MG2 1 67 TRP HZ2 . . 4.800 4.624 4.416 4.817 0.017 17 0 "[ . 1 . 2]" 1
152 1 16 VAL MG2 1 67 TRP HZ3 . . 3.570 1.846 1.782 1.992 . 0 0 "[ . 1 . 2]" 1
153 1 16 VAL MG2 1 68 GLN HA . . 4.660 4.006 3.701 4.357 . 0 0 "[ . 1 . 2]" 1
154 1 16 VAL MG2 1 68 GLN HB2 . . 3.630 3.147 2.725 3.404 . 0 0 "[ . 1 . 2]" 1
155 1 16 VAL MG2 1 68 GLN HE21 . . 4.400 1.880 1.729 2.174 . 0 0 "[ . 1 . 2]" 1
156 1 16 VAL MG2 1 68 GLN HE22 . . 4.010 2.695 1.925 3.330 . 0 0 "[ . 1 . 2]" 1
157 1 16 VAL MG2 1 68 GLN HG2 . . 4.500 4.389 3.443 4.531 0.031 17 0 "[ . 1 . 2]" 1
158 1 16 VAL MG2 1 68 GLN HG3 . . 4.160 3.310 2.890 4.667 0.507 19 1 "[ . 1 . +2]" 1
159 1 16 VAL MG2 1 75 ALA MB . . 3.440 2.500 2.009 2.853 . 0 0 "[ . 1 . 2]" 1
160 1 16 VAL MG2 1 76 THR H . . 4.640 4.351 3.894 4.650 0.010 9 0 "[ . 1 . 2]" 1
161 1 16 VAL MG2 1 76 THR HA . . 4.100 3.378 2.896 3.518 . 0 0 "[ . 1 . 2]" 1
162 1 16 VAL MG2 1 77 PRO HA . . 4.100 4.106 3.910 4.178 0.078 19 0 "[ . 1 . 2]" 1
163 1 16 VAL MG2 1 77 PRO HD3 . . 4.010 3.936 3.577 4.060 0.050 19 0 "[ . 1 . 2]" 1
164 1 17 THR H 1 17 THR MG . . 3.070 2.364 2.012 2.896 . 0 0 "[ . 1 . 2]" 1
165 1 17 THR H 1 19 GLU H . . 4.840 4.195 3.909 4.527 . 0 0 "[ . 1 . 2]" 1
166 1 17 THR H 1 20 GLN H . . 4.400 2.710 2.527 2.937 . 0 0 "[ . 1 . 2]" 1
167 1 17 THR H 1 20 GLN HA . . 5.300 4.681 4.510 4.826 . 0 0 "[ . 1 . 2]" 1
168 1 17 THR H 1 20 GLN HB2 . . 4.160 1.945 1.911 2.011 . 0 0 "[ . 1 . 2]" 1
169 1 17 THR H 1 20 GLN HB3 . . 3.610 3.629 3.564 3.675 0.065 13 0 "[ . 1 . 2]" 1
170 1 17 THR H 1 20 GLN HG2 . . 4.740 4.322 3.938 4.645 . 0 0 "[ . 1 . 2]" 1
171 1 17 THR H 1 20 GLN HG3 . . 4.690 2.917 2.418 3.366 . 0 0 "[ . 1 . 2]" 1
172 1 17 THR HA 1 17 THR MG . . 3.750 2.971 2.393 3.246 . 0 0 "[ . 1 . 2]" 1
173 1 17 THR HA 1 18 GLY HA2 . . 5.130 4.278 4.273 4.291 . 0 0 "[ . 1 . 2]" 1
174 1 17 THR HA 1 18 GLY HA3 . . 5.000 4.583 4.528 4.629 . 0 0 "[ . 1 . 2]" 1
175 1 17 THR HA 1 19 GLU H . . 4.940 4.200 4.083 4.381 . 0 0 "[ . 1 . 2]" 1
176 1 17 THR HA 1 20 GLN H . . 5.480 4.482 4.391 4.574 . 0 0 "[ . 1 . 2]" 1
177 1 17 THR HA 1 68 GLN HE21 . . 5.500 3.780 3.013 4.855 . 0 0 "[ . 1 . 2]" 1
178 1 17 THR HA 1 68 GLN HE22 . . 5.500 2.661 1.955 4.939 . 0 0 "[ . 1 . 2]" 1
179 1 17 THR HG1 1 19 GLU H . . 5.320 2.424 1.938 3.608 . 0 0 "[ . 1 . 2]" 1
180 1 17 THR HG1 1 20 GLN H . . 4.980 3.741 2.106 5.023 0.043 17 0 "[ . 1 . 2]" 1
181 1 17 THR MG 1 18 GLY H . . 4.670 3.603 3.309 3.993 . 0 0 "[ . 1 . 2]" 1
182 1 17 THR MG 1 19 GLU H . . 4.670 2.773 1.920 4.343 . 0 0 "[ . 1 . 2]" 1
183 1 17 THR MG 1 20 GLN H . . 4.340 2.915 2.000 4.364 0.024 14 0 "[ . 1 . 2]" 1
184 1 17 THR MG 1 20 GLN HG3 . . 4.290 2.882 2.065 3.982 . 0 0 "[ . 1 . 2]" 1
185 1 18 GLY H 1 19 GLU H . . 4.520 2.913 2.717 2.995 . 0 0 "[ . 1 . 2]" 1
186 1 18 GLY HA2 1 21 ILE H . . 4.010 3.584 3.504 3.644 . 0 0 "[ . 1 . 2]" 1
187 1 18 GLY HA2 1 21 ILE HB . . 3.760 2.222 2.136 2.351 . 0 0 "[ . 1 . 2]" 1
188 1 18 GLY HA2 1 21 ILE MD . . 4.160 3.029 2.902 3.081 . 0 0 "[ . 1 . 2]" 1
189 1 18 GLY HA2 1 21 ILE HG12 . . 4.820 4.731 4.573 4.846 0.026 7 0 "[ . 1 . 2]" 1
190 1 18 GLY HA2 1 21 ILE HG13 . . 4.810 3.399 3.111 3.719 . 0 0 "[ . 1 . 2]" 1
191 1 18 GLY HA2 1 21 ILE MG . . 4.640 3.375 3.249 3.513 . 0 0 "[ . 1 . 2]" 1
192 1 18 GLY HA2 1 22 GLU H . . 4.750 3.511 3.249 3.771 . 0 0 "[ . 1 . 2]" 1
193 1 18 GLY HA3 1 20 GLN H . . 4.970 4.944 4.800 5.028 0.058 16 0 "[ . 1 . 2]" 1
194 1 18 GLY HA3 1 21 ILE H . . 4.850 4.813 4.736 4.868 0.018 12 0 "[ . 1 . 2]" 1
195 1 18 GLY HA3 1 21 ILE HB . . 4.100 3.907 3.825 4.046 . 0 0 "[ . 1 . 2]" 1
196 1 18 GLY HA3 1 21 ILE MD . . 4.400 4.378 4.163 4.424 0.024 1 0 "[ . 1 . 2]" 1
197 1 18 GLY HA3 1 21 ILE HG13 . . 5.260 4.879 4.652 5.091 . 0 0 "[ . 1 . 2]" 1
198 1 18 GLY HA3 1 21 ILE MG . . 4.880 4.778 4.649 4.894 0.014 18 0 "[ . 1 . 2]" 1
199 1 19 GLU H 1 19 GLU HB2 . . 3.830 2.305 2.123 2.485 . 0 0 "[ . 1 . 2]" 1
200 1 19 GLU H 1 19 GLU HB3 . . 3.560 2.690 2.478 2.907 . 0 0 "[ . 1 . 2]" 1
201 1 19 GLU H 1 19 GLU HG2 . . 4.670 4.577 4.420 4.642 . 0 0 "[ . 1 . 2]" 1
202 1 19 GLU H 1 19 GLU HG3 . . 4.790 4.274 4.124 4.428 . 0 0 "[ . 1 . 2]" 1
203 1 19 GLU H 1 20 GLN H . . 3.780 2.656 2.412 2.766 . 0 0 "[ . 1 . 2]" 1
204 1 19 GLU H 1 21 ILE H . . 5.090 4.052 3.805 4.310 . 0 0 "[ . 1 . 2]" 1
205 1 19 GLU HA 1 19 GLU HG2 . . 3.720 3.340 2.944 3.644 . 0 0 "[ . 1 . 2]" 1
206 1 19 GLU HA 1 19 GLU HG3 . . 3.340 2.235 2.064 2.552 . 0 0 "[ . 1 . 2]" 1
207 1 19 GLU HA 1 21 ILE H . . 5.110 4.859 4.700 5.068 . 0 0 "[ . 1 . 2]" 1
208 1 19 GLU HA 1 22 GLU QG . . 4.010 2.612 2.432 2.833 . 0 0 "[ . 1 . 2]" 1
209 1 19 GLU HA 1 23 VAL H . . 4.740 4.748 4.679 4.788 0.048 19 0 "[ . 1 . 2]" 1
210 1 19 GLU HB2 1 20 GLN H . . 3.910 3.707 3.509 3.911 0.001 6 0 "[ . 1 . 2]" 1
211 1 19 GLU HB3 1 20 GLN H . . 3.900 2.583 2.490 2.729 . 0 0 "[ . 1 . 2]" 1
212 1 19 GLU HB3 1 20 GLN HE21 . . 5.180 5.052 4.807 5.187 0.007 12 0 "[ . 1 . 2]" 1
213 1 19 GLU HG2 1 23 VAL MG2 . . 4.600 4.235 3.628 4.509 . 0 0 "[ . 1 . 2]" 1
214 1 19 GLU HG3 1 23 VAL MG2 . . 4.690 4.232 3.702 4.603 . 0 0 "[ . 1 . 2]" 1
215 1 20 GLN H 1 20 GLN HB2 . . 3.830 2.335 2.241 2.464 . 0 0 "[ . 1 . 2]" 1
216 1 20 GLN H 1 20 GLN HB3 . . 3.620 3.542 3.508 3.572 . 0 0 "[ . 1 . 2]" 1
217 1 20 GLN H 1 20 GLN HG3 . . 3.730 2.634 2.364 2.915 . 0 0 "[ . 1 . 2]" 1
218 1 20 GLN H 1 21 ILE H . . 3.190 2.522 2.441 2.582 . 0 0 "[ . 1 . 2]" 1
219 1 20 GLN HA 1 20 GLN HE21 . . 5.500 5.058 4.819 5.208 . 0 0 "[ . 1 . 2]" 1
220 1 20 GLN HA 1 20 GLN HG2 . . 3.330 2.243 2.145 2.366 . 0 0 "[ . 1 . 2]" 1
221 1 20 GLN HA 1 20 GLN HG3 . . 3.670 3.252 3.137 3.404 . 0 0 "[ . 1 . 2]" 1
222 1 20 GLN HA 1 23 VAL H . . 4.090 3.422 3.340 3.476 . 0 0 "[ . 1 . 2]" 1
223 1 20 GLN HA 1 23 VAL HB . . 3.570 2.391 2.223 2.531 . 0 0 "[ . 1 . 2]" 1
224 1 20 GLN HA 1 23 VAL MG2 . . 3.780 3.241 3.081 3.402 . 0 0 "[ . 1 . 2]" 1
225 1 20 GLN HA 1 24 PHE H . . 4.610 3.859 3.772 3.949 . 0 0 "[ . 1 . 2]" 1
226 1 20 GLN HB2 1 21 ILE H . . 4.150 2.611 2.448 2.731 . 0 0 "[ . 1 . 2]" 1
227 1 20 GLN HB2 1 21 ILE HA . . 4.250 4.304 4.165 4.444 0.194 7 0 "[ . 1 . 2]" 1
228 1 20 GLN HB2 1 24 PHE QD . . 4.370 4.547 4.167 4.733 0.363 2 0 "[ . 1 . 2]" 1
229 1 20 GLN HB3 1 21 ILE H . . 3.790 3.524 3.394 3.734 . 0 0 "[ . 1 . 2]" 1
230 1 20 GLN HE21 1 20 GLN HG2 . . 3.500 3.054 2.657 3.457 . 0 0 "[ . 1 . 2]" 1
231 1 20 GLN HE21 1 20 GLN HG3 . . 3.460 2.195 2.103 2.414 . 0 0 "[ . 1 . 2]" 1
232 1 20 GLN HE21 1 77 PRO HG3 . . 5.350 4.579 4.143 4.859 . 0 0 "[ . 1 . 2]" 1
233 1 20 GLN HE22 1 20 GLN HG2 . . 4.110 3.884 3.687 4.096 . 0 0 "[ . 1 . 2]" 1
234 1 20 GLN HE22 1 77 PRO HG2 . . 4.770 4.382 3.950 4.772 0.002 18 0 "[ . 1 . 2]" 1
235 1 20 GLN HE22 1 77 PRO HG3 . . 4.650 3.122 2.708 3.537 . 0 0 "[ . 1 . 2]" 1
236 1 20 GLN HG2 1 21 ILE H . . 4.880 4.870 4.774 4.917 0.037 15 0 "[ . 1 . 2]" 1
237 1 20 GLN HG3 1 21 ILE H . . 4.860 4.477 4.263 4.654 . 0 0 "[ . 1 . 2]" 1
238 1 21 ILE H 1 21 ILE HB . . 3.140 2.335 2.284 2.468 . 0 0 "[ . 1 . 2]" 1
239 1 21 ILE H 1 21 ILE MD . . 3.880 3.840 3.656 3.884 0.004 15 0 "[ . 1 . 2]" 1
240 1 21 ILE H 1 21 ILE HG12 . . 3.810 3.149 2.967 3.259 . 0 0 "[ . 1 . 2]" 1
241 1 21 ILE H 1 21 ILE HG13 . . 3.480 2.335 2.052 2.412 . 0 0 "[ . 1 . 2]" 1
242 1 21 ILE H 1 21 ILE MG . . 3.680 3.689 3.671 3.718 0.038 6 0 "[ . 1 . 2]" 1
243 1 21 ILE H 1 23 VAL H . . 5.020 4.288 4.061 4.419 . 0 0 "[ . 1 . 2]" 1
244 1 21 ILE HA 1 21 ILE MD . . 3.540 3.583 3.525 3.713 0.173 7 0 "[ . 1 . 2]" 1
245 1 21 ILE HA 1 21 ILE HG12 . . 3.550 2.210 2.174 2.343 . 0 0 "[ . 1 . 2]" 1
246 1 21 ILE HA 1 21 ILE HG13 . . 3.740 3.104 2.979 3.210 . 0 0 "[ . 1 . 2]" 1
247 1 21 ILE HA 1 21 ILE MG . . 3.120 2.592 2.505 2.635 . 0 0 "[ . 1 . 2]" 1
248 1 21 ILE HA 1 23 VAL H . . 5.500 4.452 4.244 4.563 . 0 0 "[ . 1 . 2]" 1
249 1 21 ILE HA 1 24 PHE H . . 4.190 3.437 3.297 3.545 . 0 0 "[ . 1 . 2]" 1
250 1 21 ILE HA 1 24 PHE HB2 . . 4.120 2.540 2.388 2.655 . 0 0 "[ . 1 . 2]" 1
251 1 21 ILE HA 1 24 PHE HB3 . . 3.890 3.175 3.031 3.312 . 0 0 "[ . 1 . 2]" 1
252 1 21 ILE HA 1 24 PHE QD . . 4.470 4.011 3.667 4.187 . 0 0 "[ . 1 . 2]" 1
253 1 21 ILE HA 1 25 ALA H . . 4.410 3.786 3.584 4.037 . 0 0 "[ . 1 . 2]" 1
254 1 21 ILE HA 1 64 LEU MD2 . . 3.750 3.367 2.948 3.732 . 0 0 "[ . 1 . 2]" 1
255 1 21 ILE HB 1 21 ILE MD . . 3.130 2.581 2.397 2.629 . 0 0 "[ . 1 . 2]" 1
256 1 21 ILE HB 1 22 GLU H . . 3.610 2.327 2.268 2.377 . 0 0 "[ . 1 . 2]" 1
257 1 21 ILE HB 1 64 LEU HB3 . . 4.800 4.668 4.337 4.807 0.007 16 0 "[ . 1 . 2]" 1
258 1 21 ILE MD 1 22 GLU H . . 4.400 4.405 4.373 4.425 0.025 12 0 "[ . 1 . 2]" 1
259 1 21 ILE MD 1 61 LYS QE . . 4.570 4.224 3.866 4.572 0.002 19 0 "[ . 1 . 2]" 1
260 1 21 ILE MD 1 64 LEU HA . . 4.470 4.112 3.815 4.479 0.009 7 0 "[ . 1 . 2]" 1
261 1 21 ILE MD 1 64 LEU HB3 . . 3.390 2.572 2.175 3.153 . 0 0 "[ . 1 . 2]" 1
262 1 21 ILE MD 1 65 VAL H . . 4.390 3.210 2.954 4.188 . 0 0 "[ . 1 . 2]" 1
263 1 21 ILE MD 1 65 VAL HA . . 3.470 2.284 2.045 2.698 . 0 0 "[ . 1 . 2]" 1
264 1 21 ILE MD 1 65 VAL MG2 . . 3.380 2.323 2.085 3.026 . 0 0 "[ . 1 . 2]" 1
265 1 21 ILE MD 1 67 TRP HE3 . . 4.630 4.013 3.846 4.143 . 0 0 "[ . 1 . 2]" 1
266 1 21 ILE MD 1 67 TRP HZ3 . . 4.450 4.415 4.266 4.470 0.020 8 0 "[ . 1 . 2]" 1
267 1 21 ILE MD 1 68 GLN H . . 4.740 3.853 3.462 4.148 . 0 0 "[ . 1 . 2]" 1
268 1 21 ILE MD 1 68 GLN HA . . 4.680 4.393 4.077 4.689 0.009 2 0 "[ . 1 . 2]" 1
269 1 21 ILE MD 1 68 GLN HB2 . . 3.680 2.211 1.953 2.515 . 0 0 "[ . 1 . 2]" 1
270 1 21 ILE MD 1 68 GLN HB3 . . 3.720 2.536 2.144 2.844 . 0 0 "[ . 1 . 2]" 1
271 1 21 ILE MD 1 68 GLN HE21 . . 4.120 2.585 2.415 3.014 . 0 0 "[ . 1 . 2]" 1
272 1 21 ILE MD 1 68 GLN HE22 . . 4.310 2.606 2.241 4.383 0.073 19 0 "[ . 1 . 2]" 1
273 1 21 ILE MD 1 68 GLN HG2 . . 4.280 3.573 1.909 4.027 . 0 0 "[ . 1 . 2]" 1
274 1 21 ILE MD 1 68 GLN HG3 . . 4.560 3.671 3.181 4.037 . 0 0 "[ . 1 . 2]" 1
275 1 21 ILE HG12 1 21 ILE MG . . 3.640 2.664 2.506 2.710 . 0 0 "[ . 1 . 2]" 1
276 1 21 ILE HG12 1 22 GLU H . . 4.920 4.797 4.760 4.890 . 0 0 "[ . 1 . 2]" 1
277 1 21 ILE HG12 1 24 PHE HB2 . . 5.080 4.436 4.254 4.552 . 0 0 "[ . 1 . 2]" 1
278 1 21 ILE HG12 1 64 LEU HB2 . . 4.490 3.994 3.563 4.492 0.002 7 0 "[ . 1 . 2]" 1
279 1 21 ILE HG12 1 64 LEU HB3 . . 4.090 2.604 2.342 2.943 . 0 0 "[ . 1 . 2]" 1
280 1 21 ILE HG13 1 21 ILE MG . . 3.320 3.197 3.180 3.224 . 0 0 "[ . 1 . 2]" 1
281 1 21 ILE HG13 1 22 GLU H . . 4.550 4.449 4.313 4.518 . 0 0 "[ . 1 . 2]" 1
282 1 21 ILE MG 1 22 GLU H . . 3.670 2.468 2.315 2.888 . 0 0 "[ . 1 . 2]" 1
283 1 21 ILE MG 1 22 GLU HA . . 3.680 2.840 2.746 3.189 . 0 0 "[ . 1 . 2]" 1
284 1 21 ILE MG 1 22 GLU QG . . 4.490 4.042 3.869 4.305 . 0 0 "[ . 1 . 2]" 1
285 1 21 ILE MG 1 25 ALA H . . 4.600 3.727 3.514 3.911 . 0 0 "[ . 1 . 2]" 1
286 1 21 ILE MG 1 61 LYS HA . . 3.790 2.845 2.548 3.172 . 0 0 "[ . 1 . 2]" 1
287 1 21 ILE MG 1 61 LYS HD3 . . 4.420 4.142 3.680 4.432 0.012 7 0 "[ . 1 . 2]" 1
288 1 21 ILE MG 1 61 LYS QE . . 3.560 2.657 2.303 2.936 . 0 0 "[ . 1 . 2]" 1
289 1 21 ILE MG 1 61 LYS HG2 . . 3.850 2.374 2.015 2.654 . 0 0 "[ . 1 . 2]" 1
290 1 21 ILE MG 1 61 LYS HG3 . . 3.060 2.270 1.962 3.075 0.015 7 0 "[ . 1 . 2]" 1
291 1 21 ILE MG 1 64 LEU HB3 . . 3.140 2.323 1.978 2.685 . 0 0 "[ . 1 . 2]" 1
292 1 21 ILE MG 1 65 VAL H . . 4.130 3.368 3.179 3.590 . 0 0 "[ . 1 . 2]" 1
293 1 22 GLU H 1 22 GLU QB . . 2.960 2.513 2.428 2.566 . 0 0 "[ . 1 . 2]" 1
294 1 22 GLU H 1 22 GLU QG . . 3.360 2.036 1.949 2.126 . 0 0 "[ . 1 . 2]" 1
295 1 22 GLU H 1 23 VAL H . . 3.560 3.041 2.938 3.094 . 0 0 "[ . 1 . 2]" 1
296 1 22 GLU H 1 24 PHE H . . 4.890 4.592 4.399 4.726 . 0 0 "[ . 1 . 2]" 1
297 1 22 GLU H 1 25 ALA H . . 5.500 4.767 4.686 4.894 . 0 0 "[ . 1 . 2]" 1
298 1 22 GLU H 1 61 LYS QE . . 5.270 3.598 2.930 3.958 . 0 0 "[ . 1 . 2]" 1
299 1 22 GLU HA 1 22 GLU QG . . 3.450 3.335 3.316 3.367 . 0 0 "[ . 1 . 2]" 1
300 1 22 GLU HA 1 24 PHE H . . 5.030 4.865 4.659 5.001 . 0 0 "[ . 1 . 2]" 1
301 1 22 GLU HA 1 25 ALA H . . 4.450 3.699 3.606 3.772 . 0 0 "[ . 1 . 2]" 1
302 1 22 GLU HA 1 25 ALA MB . . 3.410 2.607 2.495 2.714 . 0 0 "[ . 1 . 2]" 1
303 1 22 GLU HA 1 26 ASN H . . 5.070 4.452 4.319 4.655 . 0 0 "[ . 1 . 2]" 1
304 1 22 GLU HA 1 61 LYS HD2 . . 4.460 3.998 3.514 4.471 0.011 5 0 "[ . 1 . 2]" 1
305 1 22 GLU HA 1 61 LYS QE . . 4.280 3.165 2.682 3.484 . 0 0 "[ . 1 . 2]" 1
306 1 22 GLU HA 1 61 LYS HG2 . . 5.240 4.060 3.655 4.400 . 0 0 "[ . 1 . 2]" 1
307 1 22 GLU HA 1 61 LYS HG3 . . 4.710 2.427 2.232 2.665 . 0 0 "[ . 1 . 2]" 1
308 1 22 GLU QB 1 23 VAL H . . 3.360 3.308 3.222 3.446 0.086 15 0 "[ . 1 . 2]" 1
309 1 22 GLU QB 1 23 VAL HA . . 4.240 4.167 4.088 4.263 0.023 16 0 "[ . 1 . 2]" 1
310 1 22 GLU QB 1 26 ASN HD22 . . 5.500 3.567 3.400 3.746 . 0 0 "[ . 1 . 2]" 1
311 1 22 GLU QB 1 61 LYS QE . . 4.020 2.771 2.311 3.165 . 0 0 "[ . 1 . 2]" 1
312 1 22 GLU QG 1 23 VAL H . . 3.930 1.932 1.865 2.040 . 0 0 "[ . 1 . 2]" 1
313 1 22 GLU QG 1 23 VAL HA . . 4.410 4.030 3.277 4.293 . 0 0 "[ . 1 . 2]" 1
314 1 22 GLU QG 1 23 VAL MG2 . . 4.210 3.093 2.359 3.393 . 0 0 "[ . 1 . 2]" 1
315 1 22 GLU QG 1 24 PHE H . . 5.320 4.391 4.300 4.496 . 0 0 "[ . 1 . 2]" 1
316 1 22 GLU QG 1 26 ASN HD21 . . 5.440 5.107 4.372 5.457 0.017 17 0 "[ . 1 . 2]" 1
317 1 22 GLU QG 1 26 ASN HD22 . . 5.450 5.004 4.266 5.422 . 0 0 "[ . 1 . 2]" 1
318 1 22 GLU QG 1 61 LYS QE . . 4.370 4.286 4.023 4.382 0.012 19 0 "[ . 1 . 2]" 1
319 1 23 VAL H 1 23 VAL HB . . 3.070 2.123 2.078 2.154 . 0 0 "[ . 1 . 2]" 1
320 1 23 VAL H 1 23 VAL MG1 . . 3.720 3.586 3.543 3.611 . 0 0 "[ . 1 . 2]" 1
321 1 23 VAL H 1 23 VAL MG2 . . 2.890 2.636 2.500 2.746 . 0 0 "[ . 1 . 2]" 1
322 1 23 VAL H 1 24 PHE H . . 3.520 2.823 2.707 2.907 . 0 0 "[ . 1 . 2]" 1
323 1 23 VAL H 1 24 PHE HB2 . . 5.500 4.399 4.313 4.478 . 0 0 "[ . 1 . 2]" 1
324 1 23 VAL H 1 24 PHE HB3 . . 5.470 5.428 5.296 5.506 0.036 18 0 "[ . 1 . 2]" 1
325 1 23 VAL H 1 25 ALA H . . 4.990 4.309 4.212 4.398 . 0 0 "[ . 1 . 2]" 1
326 1 23 VAL H 1 25 ALA MB . . 5.360 4.638 4.523 4.773 . 0 0 "[ . 1 . 2]" 1
327 1 23 VAL HA 1 23 VAL MG1 . . 3.040 2.629 2.602 2.683 . 0 0 "[ . 1 . 2]" 1
328 1 23 VAL HA 1 23 VAL MG2 . . 2.840 2.108 2.011 2.245 . 0 0 "[ . 1 . 2]" 1
329 1 23 VAL HA 1 24 PHE HA . . 4.860 4.850 4.824 4.874 0.014 19 0 "[ . 1 . 2]" 1
330 1 23 VAL HA 1 26 ASN H . . 3.920 3.851 3.729 3.930 0.010 3 0 "[ . 1 . 2]" 1
331 1 23 VAL HA 1 26 ASN HB2 . . 3.820 3.445 3.289 3.600 . 0 0 "[ . 1 . 2]" 1
332 1 23 VAL HA 1 26 ASN HD21 . . 5.130 2.037 1.924 2.386 . 0 0 "[ . 1 . 2]" 1
333 1 23 VAL HA 1 26 ASN HD22 . . 4.870 3.125 2.655 3.479 . 0 0 "[ . 1 . 2]" 1
334 1 23 VAL HB 1 24 PHE H . . 3.450 2.586 2.524 2.730 . 0 0 "[ . 1 . 2]" 1
335 1 23 VAL HB 1 24 PHE HA . . 4.580 4.625 4.590 4.680 0.100 19 0 "[ . 1 . 2]" 1
336 1 23 VAL MG1 1 24 PHE H . . 3.710 2.648 2.472 2.817 . 0 0 "[ . 1 . 2]" 1
337 1 23 VAL MG1 1 24 PHE HA . . 3.820 2.999 2.869 3.073 . 0 0 "[ . 1 . 2]" 1
338 1 23 VAL MG1 1 24 PHE HB2 . . 4.600 3.869 3.740 4.011 . 0 0 "[ . 1 . 2]" 1
339 1 23 VAL MG1 1 24 PHE QD . . 3.910 3.948 3.912 4.016 0.106 19 0 "[ . 1 . 2]" 1
340 1 23 VAL MG1 1 26 ASN H . . 5.000 4.925 4.718 5.016 0.016 17 0 "[ . 1 . 2]" 1
341 1 23 VAL MG1 1 26 ASN HB2 . . 4.920 3.982 3.845 4.138 . 0 0 "[ . 1 . 2]" 1
342 1 23 VAL MG1 1 27 LYS H . . 4.500 4.114 4.016 4.253 . 0 0 "[ . 1 . 2]" 1
343 1 23 VAL MG1 1 27 LYS QD . . 3.720 2.090 1.795 3.560 . 0 0 "[ . 1 . 2]" 1
344 1 23 VAL MG1 1 27 LYS QE . . 3.450 3.030 2.030 3.451 0.001 9 0 "[ . 1 . 2]" 1
345 1 23 VAL MG1 1 27 LYS HG2 . . 4.840 4.091 3.777 4.423 . 0 0 "[ . 1 . 2]" 1
346 1 23 VAL MG1 1 27 LYS HG3 . . 4.800 3.257 2.791 3.809 . 0 0 "[ . 1 . 2]" 1
347 1 24 PHE H 1 24 PHE HB2 . . 3.460 1.898 1.892 1.909 . 0 0 "[ . 1 . 2]" 1
348 1 24 PHE H 1 24 PHE HB3 . . 3.610 3.063 2.989 3.135 . 0 0 "[ . 1 . 2]" 1
349 1 24 PHE H 1 24 PHE QD . . 4.290 3.427 3.319 3.521 . 0 0 "[ . 1 . 2]" 1
350 1 24 PHE H 1 25 ALA H . . 3.500 2.981 2.918 3.035 . 0 0 "[ . 1 . 2]" 1
351 1 24 PHE H 1 25 ALA MB . . 4.350 4.370 4.325 4.414 0.064 18 0 "[ . 1 . 2]" 1
352 1 24 PHE H 1 26 ASN H . . 4.840 4.822 4.694 4.863 0.023 14 0 "[ . 1 . 2]" 1
353 1 24 PHE H 1 27 LYS H . . 5.500 4.874 4.781 4.987 . 0 0 "[ . 1 . 2]" 1
354 1 24 PHE HA 1 24 PHE QD . . 3.260 3.036 2.915 3.068 . 0 0 "[ . 1 . 2]" 1
355 1 24 PHE HA 1 24 PHE QE . . 4.570 4.537 4.491 4.555 . 0 0 "[ . 1 . 2]" 1
356 1 24 PHE HA 1 26 ASN HD21 . . 5.500 5.404 5.172 5.533 0.033 17 0 "[ . 1 . 2]" 1
357 1 24 PHE HA 1 27 LYS H . . 3.810 3.343 3.146 3.462 . 0 0 "[ . 1 . 2]" 1
358 1 24 PHE HA 1 27 LYS QB . . 3.690 2.492 2.250 2.672 . 0 0 "[ . 1 . 2]" 1
359 1 24 PHE HA 1 27 LYS QD . . 4.020 2.275 1.944 3.765 . 0 0 "[ . 1 . 2]" 1
360 1 24 PHE HA 1 27 LYS QE . . 4.700 3.788 1.889 4.700 0.000 7 0 "[ . 1 . 2]" 1
361 1 24 PHE HA 1 27 LYS HG2 . . 4.530 4.543 4.364 4.632 0.102 16 0 "[ . 1 . 2]" 1
362 1 24 PHE HA 1 27 LYS HG3 . . 4.370 3.632 3.076 4.341 . 0 0 "[ . 1 . 2]" 1
363 1 24 PHE HA 1 28 LEU H . . 4.500 3.802 3.579 4.055 . 0 0 "[ . 1 . 2]" 1
364 1 24 PHE HA 1 96 LEU MD1 . . 4.890 3.003 2.796 3.226 . 0 0 "[ . 1 . 2]" 1
365 1 24 PHE HA 1 96 LEU MD2 . . 4.340 3.457 3.012 4.044 . 0 0 "[ . 1 . 2]" 1
366 1 24 PHE HB2 1 25 ALA H . . 3.930 3.103 3.020 3.144 . 0 0 "[ . 1 . 2]" 1
367 1 24 PHE HB2 1 25 ALA MB . . 4.600 4.625 4.541 4.665 0.065 9 0 "[ . 1 . 2]" 1
368 1 24 PHE HB2 1 27 LYS QB . . 5.140 5.058 4.830 5.157 0.017 4 0 "[ . 1 . 2]" 1
369 1 24 PHE HB2 1 64 LEU MD2 . . 3.610 3.364 3.036 3.604 . 0 0 "[ . 1 . 2]" 1
370 1 24 PHE HB2 1 64 LEU HG . . 4.970 3.766 3.420 4.054 . 0 0 "[ . 1 . 2]" 1
371 1 24 PHE HB2 1 80 LEU MD2 . . 4.670 4.442 4.157 4.675 0.005 20 0 "[ . 1 . 2]" 1
372 1 24 PHE HB2 1 96 LEU MD1 . . 4.230 3.798 3.711 3.984 . 0 0 "[ . 1 . 2]" 1
373 1 24 PHE HB3 1 25 ALA H . . 3.910 2.383 2.281 2.487 . 0 0 "[ . 1 . 2]" 1
374 1 24 PHE HB3 1 25 ALA HA . . 3.980 3.644 3.633 3.660 . 0 0 "[ . 1 . 2]" 1
375 1 24 PHE HB3 1 25 ALA MB . . 4.090 3.871 3.795 3.945 . 0 0 "[ . 1 . 2]" 1
376 1 24 PHE HB3 1 64 LEU MD1 . . 4.600 3.842 3.458 4.037 . 0 0 "[ . 1 . 2]" 1
377 1 24 PHE HB3 1 64 LEU MD2 . . 3.590 2.041 1.815 2.197 . 0 0 "[ . 1 . 2]" 1
378 1 24 PHE HB3 1 80 LEU MD2 . . 4.480 4.019 3.680 4.380 . 0 0 "[ . 1 . 2]" 1
379 1 24 PHE HB3 1 96 LEU MD1 . . 4.480 4.539 4.471 4.584 0.104 16 0 "[ . 1 . 2]" 1
380 1 24 PHE QD 1 25 ALA H . . 4.980 4.199 4.098 4.300 . 0 0 "[ . 1 . 2]" 1
381 1 24 PHE QD 1 27 LYS QD . . 4.670 4.061 3.738 4.806 0.136 18 0 "[ . 1 . 2]" 1
382 1 24 PHE QD 1 64 LEU MD1 . . 3.890 3.406 3.101 3.592 . 0 0 "[ . 1 . 2]" 1
383 1 24 PHE QD 1 64 LEU MD2 . . 3.480 2.808 2.400 3.301 . 0 0 "[ . 1 . 2]" 1
384 1 24 PHE QD 1 80 LEU MD2 . . 3.980 2.906 2.677 3.187 . 0 0 "[ . 1 . 2]" 1
385 1 24 PHE QD 1 92 LEU MD1 . . 4.340 2.805 2.437 3.050 . 0 0 "[ . 1 . 2]" 1
386 1 24 PHE QD 1 96 LEU MD1 . . 3.850 2.364 2.216 2.730 . 0 0 "[ . 1 . 2]" 1
387 1 24 PHE QE 1 28 LEU MD1 . . 4.030 3.677 3.414 4.013 . 0 0 "[ . 1 . 2]" 1
388 1 24 PHE QE 1 64 LEU MD1 . . 4.180 4.169 4.028 4.231 0.051 8 0 "[ . 1 . 2]" 1
389 1 24 PHE QE 1 77 PRO HB3 . . 4.500 2.725 2.136 3.027 . 0 0 "[ . 1 . 2]" 1
390 1 24 PHE QE 1 80 LEU MD1 . . 4.460 3.975 3.718 4.346 . 0 0 "[ . 1 . 2]" 1
391 1 24 PHE QE 1 80 LEU MD2 . . 4.250 2.271 2.049 2.420 . 0 0 "[ . 1 . 2]" 1
392 1 24 PHE QE 1 80 LEU HG . . 4.170 2.817 2.415 3.502 . 0 0 "[ . 1 . 2]" 1
393 1 24 PHE QE 1 84 LEU MD1 . . 3.750 2.128 1.956 2.339 . 0 0 "[ . 1 . 2]" 1
394 1 24 PHE QE 1 92 LEU MD1 . . 3.590 2.454 1.906 3.057 . 0 0 "[ . 1 . 2]" 1
395 1 24 PHE QE 1 96 LEU HB3 . . 4.210 3.685 3.436 4.115 . 0 0 "[ . 1 . 2]" 1
396 1 24 PHE HZ 1 77 PRO HA . . 4.620 3.887 3.448 4.124 . 0 0 "[ . 1 . 2]" 1
397 1 24 PHE HZ 1 77 PRO HB3 . . 4.850 4.656 4.111 4.858 0.008 5 0 "[ . 1 . 2]" 1
398 1 24 PHE HZ 1 80 LEU MD2 . . 4.820 2.552 2.211 2.882 . 0 0 "[ . 1 . 2]" 1
399 1 24 PHE HZ 1 84 LEU MD1 . . 4.070 2.363 2.091 2.680 . 0 0 "[ . 1 . 2]" 1
400 1 24 PHE HZ 1 96 LEU HB2 . . 5.140 4.198 4.111 4.317 . 0 0 "[ . 1 . 2]" 1
401 1 24 PHE HZ 1 96 LEU MD2 . . 3.950 3.254 2.637 3.710 . 0 0 "[ . 1 . 2]" 1
402 1 24 PHE HZ 1 96 LEU HG . . 4.620 2.270 2.031 2.471 . 0 0 "[ . 1 . 2]" 1
403 1 25 ALA H 1 25 ALA MB . . 2.870 1.966 1.956 1.983 . 0 0 "[ . 1 . 2]" 1
404 1 25 ALA H 1 26 ASN H . . 3.580 3.190 3.104 3.224 . 0 0 "[ . 1 . 2]" 1
405 1 25 ALA H 1 27 LYS H . . 5.010 4.257 4.132 4.431 . 0 0 "[ . 1 . 2]" 1
406 1 25 ALA H 1 28 LEU H . . 5.500 4.509 4.408 4.669 . 0 0 "[ . 1 . 2]" 1
407 1 25 ALA H 1 60 ALA MB . . 4.530 4.402 4.242 4.532 0.002 11 0 "[ . 1 . 2]" 1
408 1 25 ALA H 1 64 LEU MD2 . . 3.900 2.354 2.068 2.551 . 0 0 "[ . 1 . 2]" 1
409 1 25 ALA H 1 64 LEU HG . . 4.870 4.405 4.156 4.741 . 0 0 "[ . 1 . 2]" 1
410 1 25 ALA HA 1 27 LYS H . . 4.640 4.403 4.206 4.613 . 0 0 "[ . 1 . 2]" 1
411 1 25 ALA HA 1 28 LEU H . . 3.890 3.387 3.180 3.630 . 0 0 "[ . 1 . 2]" 1
412 1 25 ALA HA 1 28 LEU HB2 . . 3.720 3.133 2.895 3.516 . 0 0 "[ . 1 . 2]" 1
413 1 25 ALA HA 1 29 GLY H . . 3.970 3.542 3.283 3.854 . 0 0 "[ . 1 . 2]" 1
414 1 25 ALA HA 1 60 ALA MB . . 2.800 2.164 1.975 2.346 . 0 0 "[ . 1 . 2]" 1
415 1 25 ALA HA 1 64 LEU MD2 . . 3.440 2.247 1.951 2.498 . 0 0 "[ . 1 . 2]" 1
416 1 25 ALA MB 1 26 ASN H . . 3.290 2.246 2.111 2.380 . 0 0 "[ . 1 . 2]" 1
417 1 25 ALA MB 1 26 ASN HA . . 4.090 3.546 3.532 3.584 . 0 0 "[ . 1 . 2]" 1
418 1 25 ALA MB 1 26 ASN HB2 . . 4.680 4.489 4.425 4.604 . 0 0 "[ . 1 . 2]" 1
419 1 25 ALA MB 1 28 LEU H . . 4.800 4.567 4.384 4.817 0.017 8 0 "[ . 1 . 2]" 1
420 1 25 ALA MB 1 29 GLY H . . 4.450 4.239 4.073 4.413 . 0 0 "[ . 1 . 2]" 1
421 1 25 ALA MB 1 60 ALA H . . 4.370 4.259 3.971 4.433 0.063 18 0 "[ . 1 . 2]" 1
422 1 25 ALA MB 1 60 ALA MB . . 3.110 2.415 2.087 2.669 . 0 0 "[ . 1 . 2]" 1
423 1 25 ALA MB 1 61 LYS H . . 3.460 2.273 1.951 2.601 . 0 0 "[ . 1 . 2]" 1
424 1 25 ALA MB 1 61 LYS HA . . 3.190 2.311 2.004 2.566 . 0 0 "[ . 1 . 2]" 1
425 1 25 ALA MB 1 61 LYS HB2 . . 2.870 2.073 1.837 2.363 . 0 0 "[ . 1 . 2]" 1
426 1 25 ALA MB 1 61 LYS HB3 . . 3.670 3.401 3.039 3.675 0.005 15 0 "[ . 1 . 2]" 1
427 1 25 ALA MB 1 61 LYS QE . . 4.730 4.359 4.068 4.667 . 0 0 "[ . 1 . 2]" 1
428 1 25 ALA MB 1 61 LYS HG2 . . 3.940 3.728 3.544 3.944 0.004 6 0 "[ . 1 . 2]" 1
429 1 25 ALA MB 1 62 GLN H . . 4.800 4.517 4.326 4.671 . 0 0 "[ . 1 . 2]" 1
430 1 25 ALA MB 1 64 LEU MD2 . . 3.260 2.547 2.298 2.773 . 0 0 "[ . 1 . 2]" 1
431 1 26 ASN H 1 26 ASN HB2 . . 3.280 2.605 2.492 2.746 . 0 0 "[ . 1 . 2]" 1
432 1 26 ASN H 1 26 ASN HD22 . . 5.060 3.261 3.060 3.505 . 0 0 "[ . 1 . 2]" 1
433 1 26 ASN H 1 28 LEU H . . 4.810 4.529 4.306 4.818 0.008 18 0 "[ . 1 . 2]" 1
434 1 26 ASN H 1 29 GLY H . . 5.500 4.899 4.746 5.046 . 0 0 "[ . 1 . 2]" 1
435 1 26 ASN HA 1 26 ASN HD22 . . 5.440 4.466 4.256 4.743 . 0 0 "[ . 1 . 2]" 1
436 1 26 ASN HA 1 57 LYS HA . . 4.490 3.773 3.343 4.059 . 0 0 "[ . 1 . 2]" 1
437 1 26 ASN HA 1 57 LYS QD . . 3.740 3.134 1.764 3.741 0.001 14 0 "[ . 1 . 2]" 1
438 1 26 ASN HA 1 57 LYS QE . . 4.590 4.002 3.169 4.434 . 0 0 "[ . 1 . 2]" 1
439 1 26 ASN HA 1 57 LYS HG2 . . 3.770 2.476 2.322 3.386 . 0 0 "[ . 1 . 2]" 1
440 1 26 ASN HA 1 57 LYS HG3 . . 4.100 4.080 3.924 4.263 0.163 4 0 "[ . 1 . 2]" 1
441 1 26 ASN HB2 1 27 LYS H . . 3.200 2.452 2.286 2.606 . 0 0 "[ . 1 . 2]" 1
442 1 26 ASN HB2 1 27 LYS HA . . 4.510 4.167 4.023 4.257 . 0 0 "[ . 1 . 2]" 1
443 1 26 ASN HB2 1 27 LYS QB . . 4.490 4.464 4.326 4.529 0.039 7 0 "[ . 1 . 2]" 1
444 1 26 ASN HB2 1 27 LYS HG3 . . 4.680 3.049 2.776 3.526 . 0 0 "[ . 1 . 2]" 1
445 1 26 ASN HB3 1 27 LYS H . . 3.810 3.554 3.370 3.676 . 0 0 "[ . 1 . 2]" 1
446 1 26 ASN HB3 1 27 LYS HA . . 4.960 4.301 4.209 4.442 . 0 0 "[ . 1 . 2]" 1
447 1 26 ASN HB3 1 27 LYS HG3 . . 5.020 4.105 3.841 4.467 . 0 0 "[ . 1 . 2]" 1
448 1 26 ASN HB3 1 57 LYS QD . . 4.260 4.062 2.884 4.274 0.014 17 0 "[ . 1 . 2]" 1
449 1 27 LYS H 1 27 LYS QB . . 3.240 2.399 2.222 2.495 . 0 0 "[ . 1 . 2]" 1
450 1 27 LYS H 1 27 LYS QD . . 4.310 3.337 2.986 4.316 0.006 8 0 "[ . 1 . 2]" 1
451 1 27 LYS H 1 27 LYS QE . . 4.840 4.681 3.460 4.872 0.032 17 0 "[ . 1 . 2]" 1
452 1 27 LYS H 1 27 LYS HG2 . . 3.980 3.544 3.214 4.013 0.033 16 0 "[ . 1 . 2]" 1
453 1 27 LYS H 1 27 LYS HG3 . . 3.610 2.191 1.940 2.751 . 0 0 "[ . 1 . 2]" 1
454 1 27 LYS H 1 28 LEU H . . 3.300 2.786 2.678 2.977 . 0 0 "[ . 1 . 2]" 1
455 1 27 LYS H 1 28 LEU HB3 . . 4.900 5.014 4.795 5.247 0.347 4 0 "[ . 1 . 2]" 1
456 1 27 LYS H 1 29 GLY H . . 4.890 4.558 4.259 4.704 . 0 0 "[ . 1 . 2]" 1
457 1 27 LYS HA 1 27 LYS QD . . 4.300 4.042 3.828 4.145 . 0 0 "[ . 1 . 2]" 1
458 1 27 LYS HA 1 27 LYS HG2 . . 3.350 2.699 2.284 2.886 . 0 0 "[ . 1 . 2]" 1
459 1 27 LYS HA 1 27 LYS HG3 . . 3.790 2.744 2.285 3.150 . 0 0 "[ . 1 . 2]" 1
460 1 27 LYS HA 1 29 GLY H . . 5.050 5.016 4.808 5.068 0.018 5 0 "[ . 1 . 2]" 1
461 1 27 LYS QB 1 27 LYS QE . . 4.320 2.909 2.485 3.192 . 0 0 "[ . 1 . 2]" 1
462 1 27 LYS QB 1 28 LEU H . . 3.370 2.408 2.198 2.573 . 0 0 "[ . 1 . 2]" 1
463 1 27 LYS QB 1 92 LEU MD1 . . 4.250 1.878 1.751 2.167 . 0 0 "[ . 1 . 2]" 1
464 1 27 LYS QB 1 92 LEU MD2 . . 3.600 2.080 1.911 2.186 . 0 0 "[ . 1 . 2]" 1
465 1 27 LYS QB 1 96 LEU MD1 . . 3.960 3.877 3.683 3.989 0.029 8 0 "[ . 1 . 2]" 1
466 1 27 LYS QB 1 96 LEU MD2 . . 4.570 2.831 2.557 3.381 . 0 0 "[ . 1 . 2]" 1
467 1 27 LYS QD 1 92 LEU MD2 . . 4.380 4.171 3.097 4.462 0.082 16 0 "[ . 1 . 2]" 1
468 1 27 LYS QD 1 95 SER HB2 . . 4.580 4.061 2.213 4.537 . 0 0 "[ . 1 . 2]" 1
469 1 27 LYS QD 1 95 SER HB3 . . 4.440 3.836 1.838 4.567 0.127 14 0 "[ . 1 . 2]" 1
470 1 27 LYS QD 1 96 LEU MD1 . . 4.610 2.691 2.366 3.422 . 0 0 "[ . 1 . 2]" 1
471 1 27 LYS QD 1 96 LEU MD2 . . 4.670 2.350 1.842 3.722 . 0 0 "[ . 1 . 2]" 1
472 1 27 LYS QE 1 27 LYS HG2 . . 3.440 2.302 1.963 3.304 . 0 0 "[ . 1 . 2]" 1
473 1 27 LYS QE 1 27 LYS HG3 . . 3.720 3.171 2.037 3.419 . 0 0 "[ . 1 . 2]" 1
474 1 27 LYS QE 1 92 LEU MD2 . . 4.230 4.242 3.988 4.402 0.172 18 0 "[ . 1 . 2]" 1
475 1 27 LYS QE 1 95 SER HB2 . . 4.200 2.904 1.984 4.208 0.008 18 0 "[ . 1 . 2]" 1
476 1 27 LYS QE 1 95 SER HB3 . . 4.870 2.359 1.956 4.075 . 0 0 "[ . 1 . 2]" 1
477 1 27 LYS QE 1 96 LEU HA . . 4.550 2.841 2.266 4.255 . 0 0 "[ . 1 . 2]" 1
478 1 27 LYS QE 1 96 LEU MD1 . . 4.840 2.362 1.821 3.911 . 0 0 "[ . 1 . 2]" 1
479 1 27 LYS HG2 1 95 SER HB2 . . 5.020 4.158 3.403 5.024 0.004 1 0 "[ . 1 . 2]" 1
480 1 27 LYS HG2 1 95 SER HB3 . . 4.930 3.452 2.648 5.027 0.097 7 0 "[ . 1 . 2]" 1
481 1 27 LYS HG3 1 92 LEU MD2 . . 4.810 4.689 4.283 4.861 0.051 14 0 "[ . 1 . 2]" 1
482 1 28 LEU H 1 28 LEU HB2 . . 3.270 2.205 2.104 2.284 . 0 0 "[ . 1 . 2]" 1
483 1 28 LEU H 1 28 LEU HB3 . . 3.430 2.707 2.594 2.872 . 0 0 "[ . 1 . 2]" 1
484 1 28 LEU H 1 28 LEU MD1 . . 4.360 3.764 3.528 3.907 . 0 0 "[ . 1 . 2]" 1
485 1 28 LEU H 1 28 LEU MD2 . . 4.170 4.084 4.042 4.136 . 0 0 "[ . 1 . 2]" 1
486 1 28 LEU H 1 28 LEU HG . . 4.790 4.540 4.507 4.579 . 0 0 "[ . 1 . 2]" 1
487 1 28 LEU H 1 29 GLY H . . 3.620 3.107 2.963 3.247 . 0 0 "[ . 1 . 2]" 1
488 1 28 LEU H 1 60 ALA MB . . 4.080 4.040 3.823 4.140 0.060 17 0 "[ . 1 . 2]" 1
489 1 28 LEU H 1 92 LEU MD1 . . 4.210 2.443 2.265 2.616 . 0 0 "[ . 1 . 2]" 1
490 1 28 LEU H 1 92 LEU MD2 . . 4.520 3.834 3.536 4.069 . 0 0 "[ . 1 . 2]" 1
491 1 28 LEU HA 1 28 LEU MD1 . . 3.030 1.955 1.900 2.108 . 0 0 "[ . 1 . 2]" 1
492 1 28 LEU HA 1 28 LEU HG . . 3.930 3.155 2.973 3.319 . 0 0 "[ . 1 . 2]" 1
493 1 28 LEU HA 1 92 LEU MD1 . . 3.300 2.276 1.960 2.561 . 0 0 "[ . 1 . 2]" 1
494 1 28 LEU HA 1 92 LEU MD2 . . 3.370 2.817 2.419 3.081 . 0 0 "[ . 1 . 2]" 1
495 1 28 LEU HB2 1 28 LEU MD2 . . 3.560 2.198 2.105 2.285 . 0 0 "[ . 1 . 2]" 1
496 1 28 LEU HB2 1 29 GLY H . . 3.560 3.566 3.471 3.626 0.066 12 0 "[ . 1 . 2]" 1
497 1 28 LEU HB3 1 28 LEU MD1 . . 3.460 3.207 3.191 3.219 . 0 0 "[ . 1 . 2]" 1
498 1 28 LEU HB3 1 28 LEU MD2 . . 3.580 2.493 2.375 2.568 . 0 0 "[ . 1 . 2]" 1
499 1 28 LEU HB3 1 29 GLY H . . 4.130 2.170 2.100 2.297 . 0 0 "[ . 1 . 2]" 1
500 1 28 LEU HB3 1 60 ALA MB . . 3.810 1.967 1.881 2.200 . 0 0 "[ . 1 . 2]" 1
501 1 28 LEU MD1 1 29 GLY H . . 5.150 4.304 4.041 4.541 . 0 0 "[ . 1 . 2]" 1
502 1 28 LEU MD1 1 31 GLN H . . 4.310 3.323 3.095 3.704 . 0 0 "[ . 1 . 2]" 1
503 1 28 LEU MD1 1 31 GLN HA . . 4.560 3.904 3.717 4.229 . 0 0 "[ . 1 . 2]" 1
504 1 28 LEU MD1 1 31 GLN HB2 . . 3.580 2.093 1.966 2.433 . 0 0 "[ . 1 . 2]" 1
505 1 28 LEU MD1 1 31 GLN HB3 . . 3.460 2.105 1.936 2.360 . 0 0 "[ . 1 . 2]" 1
506 1 28 LEU MD1 1 32 TRP H . . 4.250 3.480 3.252 3.731 . 0 0 "[ . 1 . 2]" 1
507 1 28 LEU MD1 1 32 TRP HA . . 3.150 2.628 2.400 2.835 . 0 0 "[ . 1 . 2]" 1
508 1 28 LEU MD1 1 32 TRP HB2 . . 4.510 4.431 4.243 4.519 0.009 17 0 "[ . 1 . 2]" 1
509 1 28 LEU MD1 1 32 TRP HB3 . . 4.390 3.903 3.737 4.013 . 0 0 "[ . 1 . 2]" 1
510 1 28 LEU MD1 1 35 LEU H . . 4.600 3.658 3.428 3.974 . 0 0 "[ . 1 . 2]" 1
511 1 28 LEU MD1 1 35 LEU HB2 . . 3.920 2.434 2.188 2.709 . 0 0 "[ . 1 . 2]" 1
512 1 28 LEU MD1 1 60 ALA MB . . 4.110 3.915 3.699 4.113 0.003 18 0 "[ . 1 . 2]" 1
513 1 28 LEU MD2 1 29 GLY H . . 4.230 4.224 3.984 4.328 0.098 18 0 "[ . 1 . 2]" 1
514 1 28 LEU MD2 1 32 TRP H . . 4.010 3.584 3.389 3.909 . 0 0 "[ . 1 . 2]" 1
515 1 28 LEU MD2 1 32 TRP HA . . 3.170 1.940 1.874 2.153 . 0 0 "[ . 1 . 2]" 1
516 1 28 LEU MD2 1 32 TRP HB2 . . 3.740 2.364 2.171 2.849 . 0 0 "[ . 1 . 2]" 1
517 1 28 LEU MD2 1 32 TRP HB3 . . 3.570 2.203 1.966 2.897 . 0 0 "[ . 1 . 2]" 1
518 1 28 LEU MD2 1 35 LEU H . . 4.180 4.112 3.927 4.204 0.024 17 0 "[ . 1 . 2]" 1
519 1 28 LEU MD2 1 35 LEU HB2 . . 4.250 2.743 2.581 2.901 . 0 0 "[ . 1 . 2]" 1
520 1 28 LEU MD2 1 35 LEU HB3 . . 4.110 3.369 3.094 3.625 . 0 0 "[ . 1 . 2]" 1
521 1 28 LEU MD2 1 60 ALA HA . . 3.440 2.582 2.275 2.871 . 0 0 "[ . 1 . 2]" 1
522 1 28 LEU MD2 1 60 ALA MB . . 3.100 2.284 2.046 2.606 . 0 0 "[ . 1 . 2]" 1
523 1 28 LEU HG 1 29 GLY H . . 4.370 3.675 3.377 4.051 . 0 0 "[ . 1 . 2]" 1
524 1 28 LEU HG 1 31 GLN H . . 4.770 3.336 3.159 3.644 . 0 0 "[ . 1 . 2]" 1
525 1 28 LEU HG 1 31 GLN HB3 . . 4.930 3.896 3.576 4.227 . 0 0 "[ . 1 . 2]" 1
526 1 28 LEU HG 1 32 TRP H . . 3.960 2.546 2.371 2.698 . 0 0 "[ . 1 . 2]" 1
527 1 28 LEU HG 1 32 TRP HA . . 3.660 2.487 2.327 2.700 . 0 0 "[ . 1 . 2]" 1
528 1 28 LEU HG 1 32 TRP HB2 . . 4.300 3.612 3.321 3.944 . 0 0 "[ . 1 . 2]" 1
529 1 28 LEU HG 1 32 TRP HB3 . . 4.230 2.412 2.195 2.708 . 0 0 "[ . 1 . 2]" 1
530 1 28 LEU HG 1 32 TRP HD1 . . 5.160 4.264 4.017 4.506 . 0 0 "[ . 1 . 2]" 1
531 1 29 GLY H 1 30 GLU H . . 4.650 4.467 4.387 4.575 . 0 0 "[ . 1 . 2]" 1
532 1 29 GLY H 1 31 GLN H . . 5.500 4.330 4.233 4.414 . 0 0 "[ . 1 . 2]" 1
533 1 29 GLY H 1 56 MET HB3 . . 5.430 5.038 4.691 5.450 0.020 11 0 "[ . 1 . 2]" 1
534 1 29 GLY H 1 60 ALA MB . . 3.580 2.630 2.490 2.743 . 0 0 "[ . 1 . 2]" 1
535 1 29 GLY HA2 1 31 GLN H . . 4.650 4.410 4.212 4.538 . 0 0 "[ . 1 . 2]" 1
536 1 29 GLY HA2 1 56 MET HB3 . . 4.600 3.179 2.644 3.454 . 0 0 "[ . 1 . 2]" 1
537 1 29 GLY HA2 1 57 LYS H . . 5.500 4.417 3.951 4.942 . 0 0 "[ . 1 . 2]" 1
538 1 29 GLY HA2 1 57 LYS HG2 . . 4.830 3.661 3.137 4.291 . 0 0 "[ . 1 . 2]" 1
539 1 29 GLY HA2 1 60 ALA MB . . 3.930 3.445 3.099 3.673 . 0 0 "[ . 1 . 2]" 1
540 1 29 GLY HA3 1 30 GLU H . . 3.270 2.213 2.199 2.237 . 0 0 "[ . 1 . 2]" 1
541 1 29 GLY HA3 1 30 GLU HB3 . . 4.830 4.486 4.355 4.643 . 0 0 "[ . 1 . 2]" 1
542 1 29 GLY HA3 1 31 GLN H . . 4.280 3.421 3.270 3.531 . 0 0 "[ . 1 . 2]" 1
543 1 29 GLY HA3 1 56 MET HB3 . . 4.610 4.132 3.680 4.445 . 0 0 "[ . 1 . 2]" 1
544 1 29 GLY HA3 1 60 ALA MB . . 4.490 4.388 4.083 4.533 0.043 4 0 "[ . 1 . 2]" 1
545 1 30 GLU H 1 30 GLU HB2 . . 3.750 3.652 3.593 3.705 . 0 0 "[ . 1 . 2]" 1
546 1 30 GLU H 1 30 GLU HB3 . . 3.650 2.736 2.479 2.936 . 0 0 "[ . 1 . 2]" 1
547 1 30 GLU H 1 30 GLU QG . . 3.950 2.159 1.962 2.331 . 0 0 "[ . 1 . 2]" 1
548 1 30 GLU H 1 31 GLN H . . 3.820 2.338 2.173 2.564 . 0 0 "[ . 1 . 2]" 1
549 1 30 GLU H 1 32 TRP H . . 5.500 4.242 4.104 4.389 . 0 0 "[ . 1 . 2]" 1
550 1 30 GLU H 1 32 TRP HD1 . . 5.500 4.506 4.307 4.614 . 0 0 "[ . 1 . 2]" 1
551 1 30 GLU H 1 56 MET HB3 . . 4.800 4.181 3.233 4.800 0.000 17 0 "[ . 1 . 2]" 1
552 1 30 GLU H 1 56 MET HG2 . . 5.500 4.064 2.873 5.521 0.021 8 0 "[ . 1 . 2]" 1
553 1 30 GLU H 1 56 MET HG3 . . 5.430 4.350 3.793 4.912 . 0 0 "[ . 1 . 2]" 1
554 1 30 GLU H 1 60 ALA MB . . 5.500 5.000 4.630 5.178 . 0 0 "[ . 1 . 2]" 1
555 1 30 GLU HA 1 32 TRP H . . 4.530 3.126 3.081 3.169 . 0 0 "[ . 1 . 2]" 1
556 1 30 GLU HA 1 56 MET HG3 . . 4.170 2.584 2.002 3.293 . 0 0 "[ . 1 . 2]" 1
557 1 30 GLU HB2 1 31 GLN H . . 4.620 4.473 4.391 4.553 . 0 0 "[ . 1 . 2]" 1
558 1 30 GLU HB2 1 56 MET HG2 . . 4.870 3.465 2.630 4.652 . 0 0 "[ . 1 . 2]" 1
559 1 30 GLU HB2 1 56 MET HG3 . . 4.340 3.403 2.966 3.830 . 0 0 "[ . 1 . 2]" 1
560 1 30 GLU HB3 1 31 GLN H . . 4.580 4.408 4.301 4.492 . 0 0 "[ . 1 . 2]" 1
561 1 30 GLU HB3 1 56 MET HG2 . . 4.550 2.365 1.968 3.732 . 0 0 "[ . 1 . 2]" 1
562 1 30 GLU HB3 1 56 MET HG3 . . 4.080 2.802 1.994 3.535 . 0 0 "[ . 1 . 2]" 1
563 1 30 GLU QG 1 31 GLN H . . 3.590 2.944 2.742 3.154 . 0 0 "[ . 1 . 2]" 1
564 1 30 GLU QG 1 31 GLN HE22 . . 4.780 4.475 3.022 4.797 0.017 16 0 "[ . 1 . 2]" 1
565 1 30 GLU QG 1 32 TRP H . . 4.940 4.537 4.442 4.657 . 0 0 "[ . 1 . 2]" 1
566 1 30 GLU QG 1 56 MET HG3 . . 4.750 4.626 4.098 5.133 0.383 11 0 "[ . 1 . 2]" 1
567 1 31 GLN H 1 31 GLN HB2 . . 3.370 2.148 2.110 2.183 . 0 0 "[ . 1 . 2]" 1
568 1 31 GLN H 1 31 GLN HB3 . . 3.610 3.423 3.366 3.463 . 0 0 "[ . 1 . 2]" 1
569 1 31 GLN H 1 31 GLN HE21 . . 5.340 5.165 3.316 5.381 0.041 6 0 "[ . 1 . 2]" 1
570 1 31 GLN H 1 31 GLN HG3 . . 3.740 3.494 3.349 3.662 . 0 0 "[ . 1 . 2]" 1
571 1 31 GLN H 1 32 TRP H . . 3.450 2.562 2.496 2.611 . 0 0 "[ . 1 . 2]" 1
572 1 31 GLN H 1 32 TRP HD1 . . 4.640 4.106 3.876 4.330 . 0 0 "[ . 1 . 2]" 1
573 1 31 GLN H 1 33 LYS H . . 5.390 4.545 4.333 4.779 . 0 0 "[ . 1 . 2]" 1
574 1 31 GLN H 1 34 ILE MD . . 4.680 4.420 4.111 4.687 0.007 17 0 "[ . 1 . 2]" 1
575 1 31 GLN HA 1 31 GLN HE21 . . 5.500 4.518 3.471 4.884 . 0 0 "[ . 1 . 2]" 1
576 1 31 GLN HA 1 31 GLN HG2 . . 3.560 3.118 2.808 3.310 . 0 0 "[ . 1 . 2]" 1
577 1 31 GLN HA 1 31 GLN HG3 . . 3.030 2.065 2.002 2.196 . 0 0 "[ . 1 . 2]" 1
578 1 31 GLN HA 1 33 LYS H . . 4.750 3.509 3.201 3.881 . 0 0 "[ . 1 . 2]" 1
579 1 31 GLN HA 1 34 ILE H . . 4.140 3.031 2.901 3.225 . 0 0 "[ . 1 . 2]" 1
580 1 31 GLN HA 1 34 ILE HB . . 3.630 2.873 2.633 3.179 . 0 0 "[ . 1 . 2]" 1
581 1 31 GLN HA 1 34 ILE MD . . 3.690 2.259 2.013 2.551 . 0 0 "[ . 1 . 2]" 1
582 1 31 GLN HA 1 34 ILE HG12 . . 4.320 3.993 3.747 4.209 . 0 0 "[ . 1 . 2]" 1
583 1 31 GLN HA 1 34 ILE HG13 . . 4.320 2.464 2.095 2.741 . 0 0 "[ . 1 . 2]" 1
584 1 31 GLN HA 1 89 LEU MD1 . . 4.230 4.195 3.999 4.284 0.054 20 0 "[ . 1 . 2]" 1
585 1 31 GLN HB2 1 32 TRP H . . 4.560 3.790 3.672 3.936 . 0 0 "[ . 1 . 2]" 1
586 1 31 GLN HB2 1 34 ILE H . . 4.940 5.107 5.006 5.298 0.358 16 0 "[ . 1 . 2]" 1
587 1 31 GLN HB2 1 34 ILE MD . . 5.110 3.961 3.815 4.193 . 0 0 "[ . 1 . 2]" 1
588 1 31 GLN HB2 1 92 LEU MD2 . . 4.400 3.920 3.715 4.135 . 0 0 "[ . 1 . 2]" 1
589 1 31 GLN HB3 1 31 GLN HE22 . . 5.240 5.173 5.060 5.247 0.007 2 0 "[ . 1 . 2]" 1
590 1 31 GLN HB3 1 32 TRP H . . 4.670 4.135 3.992 4.252 . 0 0 "[ . 1 . 2]" 1
591 1 31 GLN HB3 1 34 ILE H . . 5.380 4.060 3.920 4.293 . 0 0 "[ . 1 . 2]" 1
592 1 31 GLN HB3 1 34 ILE HB . . 4.460 2.943 2.792 3.066 . 0 0 "[ . 1 . 2]" 1
593 1 31 GLN HB3 1 34 ILE MD . . 4.110 3.246 2.964 3.543 . 0 0 "[ . 1 . 2]" 1
594 1 31 GLN HB3 1 89 LEU MD1 . . 3.900 3.338 2.217 3.652 . 0 0 "[ . 1 . 2]" 1
595 1 31 GLN HB3 1 89 LEU MD2 . . 3.830 1.886 1.765 2.833 . 0 0 "[ . 1 . 2]" 1
596 1 31 GLN HB3 1 92 LEU MD2 . . 4.680 4.663 4.434 4.784 0.104 13 0 "[ . 1 . 2]" 1
597 1 31 GLN HE21 1 34 ILE MD . . 4.520 3.252 2.819 3.653 . 0 0 "[ . 1 . 2]" 1
598 1 31 GLN HE21 1 89 LEU MD1 . . 4.320 3.098 2.736 4.086 . 0 0 "[ . 1 . 2]" 1
599 1 31 GLN HE22 1 34 ILE MD . . 4.840 4.517 4.185 4.783 . 0 0 "[ . 1 . 2]" 1
600 1 31 GLN HE22 1 89 LEU MD1 . . 4.250 4.041 3.491 4.264 0.014 17 0 "[ . 1 . 2]" 1
601 1 31 GLN HG2 1 34 ILE MD . . 3.890 2.136 1.962 2.443 . 0 0 "[ . 1 . 2]" 1
602 1 31 GLN HG2 1 89 LEU MD1 . . 3.750 1.998 1.790 2.158 . 0 0 "[ . 1 . 2]" 1
603 1 31 GLN HG3 1 34 ILE HB . . 4.100 3.602 3.261 3.950 . 0 0 "[ . 1 . 2]" 1
604 1 31 GLN HG3 1 34 ILE MD . . 3.440 1.868 1.773 1.985 . 0 0 "[ . 1 . 2]" 1
605 1 31 GLN HG3 1 34 ILE HG12 . . 5.280 4.576 4.235 4.982 . 0 0 "[ . 1 . 2]" 1
606 1 31 GLN HG3 1 89 LEU MD1 . . 3.230 3.180 3.038 3.276 0.046 1 0 "[ . 1 . 2]" 1
607 1 31 GLN HG3 1 89 LEU MD2 . . 3.590 3.459 3.136 3.705 0.115 16 0 "[ . 1 . 2]" 1
608 1 32 TRP H 1 32 TRP HB2 . . 3.880 3.536 3.520 3.553 . 0 0 "[ . 1 . 2]" 1
609 1 32 TRP H 1 32 TRP HB3 . . 3.470 2.377 2.307 2.475 . 0 0 "[ . 1 . 2]" 1
610 1 32 TRP H 1 32 TRP HD1 . . 3.400 2.539 2.318 2.698 . 0 0 "[ . 1 . 2]" 1
611 1 32 TRP H 1 32 TRP HE1 . . 4.980 4.788 4.561 4.944 . 0 0 "[ . 1 . 2]" 1
612 1 32 TRP H 1 32 TRP HE3 . . 5.500 5.139 5.077 5.267 . 0 0 "[ . 1 . 2]" 1
613 1 32 TRP H 1 33 LYS H . . 3.870 2.569 2.513 2.635 . 0 0 "[ . 1 . 2]" 1
614 1 32 TRP H 1 33 LYS HB2 . . 5.440 4.574 4.350 4.877 . 0 0 "[ . 1 . 2]" 1
615 1 32 TRP H 1 33 LYS HB3 . . 5.500 5.192 4.887 5.430 . 0 0 "[ . 1 . 2]" 1
616 1 32 TRP H 1 34 ILE H . . 5.440 3.783 3.640 3.920 . 0 0 "[ . 1 . 2]" 1
617 1 32 TRP H 1 60 ALA HA . . 4.540 4.477 4.227 4.579 0.039 11 0 "[ . 1 . 2]" 1
618 1 32 TRP H 1 60 ALA MB . . 4.120 3.570 3.319 3.757 . 0 0 "[ . 1 . 2]" 1
619 1 32 TRP H 1 63 LEU MD2 . . 5.060 4.486 4.355 4.719 . 0 0 "[ . 1 . 2]" 1
620 1 32 TRP HA 1 32 TRP HD1 . . 4.610 4.569 4.472 4.637 0.027 14 0 "[ . 1 . 2]" 1
621 1 32 TRP HA 1 32 TRP HE3 . . 4.480 3.999 3.877 4.163 . 0 0 "[ . 1 . 2]" 1
622 1 32 TRP HA 1 34 ILE H . . 5.220 3.661 3.519 3.756 . 0 0 "[ . 1 . 2]" 1
623 1 32 TRP HA 1 35 LEU H . . 4.230 3.164 3.035 3.271 . 0 0 "[ . 1 . 2]" 1
624 1 32 TRP HA 1 35 LEU HB2 . . 4.280 2.818 2.652 2.961 . 0 0 "[ . 1 . 2]" 1
625 1 32 TRP HA 1 35 LEU MD1 . . 4.340 4.291 4.160 4.352 0.012 20 0 "[ . 1 . 2]" 1
626 1 32 TRP HA 1 63 LEU MD2 . . 3.610 2.466 2.255 2.757 . 0 0 "[ . 1 . 2]" 1
627 1 32 TRP HB2 1 32 TRP HE3 . . 3.970 2.545 2.470 2.597 . 0 0 "[ . 1 . 2]" 1
628 1 32 TRP HB2 1 32 TRP HZ3 . . 4.930 4.951 4.893 4.993 0.063 17 0 "[ . 1 . 2]" 1
629 1 32 TRP HB2 1 60 ALA HA . . 3.420 2.055 1.966 2.294 . 0 0 "[ . 1 . 2]" 1
630 1 32 TRP HB2 1 60 ALA MB . . 3.930 3.212 3.061 3.448 . 0 0 "[ . 1 . 2]" 1
631 1 32 TRP HB2 1 63 LEU HB3 . . 4.750 2.855 2.736 2.991 . 0 0 "[ . 1 . 2]" 1
632 1 32 TRP HB2 1 63 LEU MD1 . . 4.650 4.315 4.106 4.535 . 0 0 "[ . 1 . 2]" 1
633 1 32 TRP HB2 1 63 LEU MD2 . . 3.510 1.971 1.876 2.222 . 0 0 "[ . 1 . 2]" 1
634 1 32 TRP HB2 1 64 LEU H . . 5.500 4.971 4.762 5.280 . 0 0 "[ . 1 . 2]" 1
635 1 32 TRP HB3 1 32 TRP HD1 . . 3.790 2.708 2.679 2.758 . 0 0 "[ . 1 . 2]" 1
636 1 32 TRP HB3 1 60 ALA HA . . 3.430 2.131 1.966 2.257 . 0 0 "[ . 1 . 2]" 1
637 1 32 TRP HB3 1 60 ALA MB . . 3.300 2.058 1.930 2.334 . 0 0 "[ . 1 . 2]" 1
638 1 32 TRP HB3 1 63 LEU MD2 . . 4.020 3.274 3.087 3.559 . 0 0 "[ . 1 . 2]" 1
639 1 32 TRP HD1 1 33 LYS H . . 4.190 3.637 3.280 3.989 . 0 0 "[ . 1 . 2]" 1
640 1 32 TRP HD1 1 56 MET HB3 . . 4.770 4.095 2.563 4.813 0.043 4 0 "[ . 1 . 2]" 1
641 1 32 TRP HD1 1 56 MET ME . . 4.410 4.340 4.061 4.450 0.040 4 0 "[ . 1 . 2]" 1
642 1 32 TRP HD1 1 56 MET HG2 . . 4.850 4.453 3.533 5.282 0.432 9 0 "[ . 1 . 2]" 1
643 1 32 TRP HD1 1 59 ARG HB2 . . 4.760 3.381 3.025 3.696 . 0 0 "[ . 1 . 2]" 1
644 1 32 TRP HD1 1 59 ARG QD . . 5.160 4.163 3.601 4.975 . 0 0 "[ . 1 . 2]" 1
645 1 32 TRP HD1 1 60 ALA H . . 4.780 3.780 3.145 3.974 . 0 0 "[ . 1 . 2]" 1
646 1 32 TRP HD1 1 60 ALA HA . . 4.880 3.996 3.320 4.388 . 0 0 "[ . 1 . 2]" 1
647 1 32 TRP HD1 1 60 ALA MB . . 4.330 3.152 2.641 3.522 . 0 0 "[ . 1 . 2]" 1
648 1 32 TRP HE1 1 33 LYS HB2 . . 4.810 4.022 3.800 4.367 . 0 0 "[ . 1 . 2]" 1
649 1 32 TRP HE1 1 33 LYS QD . . 5.340 4.507 3.980 4.975 . 0 0 "[ . 1 . 2]" 1
650 1 32 TRP HE1 1 50 GLU HA . . 5.500 5.199 4.798 5.532 0.032 5 0 "[ . 1 . 2]" 1
651 1 32 TRP HE1 1 50 GLU HG3 . . 5.380 4.647 3.855 4.787 . 0 0 "[ . 1 . 2]" 1
652 1 32 TRP HE1 1 56 MET HA . . 4.960 3.266 2.876 3.684 . 0 0 "[ . 1 . 2]" 1
653 1 32 TRP HE1 1 56 MET ME . . 4.250 3.105 2.310 3.669 . 0 0 "[ . 1 . 2]" 1
654 1 32 TRP HE1 1 59 ARG HA . . 5.500 5.529 5.499 5.575 0.075 4 0 "[ . 1 . 2]" 1
655 1 32 TRP HE1 1 59 ARG HB2 . . 4.500 2.920 2.726 3.256 . 0 0 "[ . 1 . 2]" 1
656 1 32 TRP HE1 1 59 ARG HB3 . . 4.670 3.137 3.034 3.230 . 0 0 "[ . 1 . 2]" 1
657 1 32 TRP HE1 1 59 ARG QD . . 3.860 2.283 1.917 3.272 . 0 0 "[ . 1 . 2]" 1
658 1 32 TRP HE1 1 59 ARG HE . . 5.320 4.653 1.756 5.329 0.009 4 0 "[ . 1 . 2]" 1
659 1 32 TRP HE1 1 59 ARG HG2 . . 5.310 4.482 4.322 4.617 . 0 0 "[ . 1 . 2]" 1
660 1 32 TRP HE1 1 59 ARG HG3 . . 5.350 4.546 4.242 4.889 . 0 0 "[ . 1 . 2]" 1
661 1 32 TRP HE3 1 33 LYS HA . . 4.290 3.488 3.271 3.812 . 0 0 "[ . 1 . 2]" 1
662 1 32 TRP HE3 1 36 ALA MB . . 3.780 3.134 3.011 3.258 . 0 0 "[ . 1 . 2]" 1
663 1 32 TRP HE3 1 46 ILE MG . . 4.560 4.206 3.792 4.549 . 0 0 "[ . 1 . 2]" 1
664 1 32 TRP HE3 1 49 ILE MD . . 4.220 3.488 3.097 3.744 . 0 0 "[ . 1 . 2]" 1
665 1 32 TRP HE3 1 49 ILE MG . . 4.870 3.915 3.696 4.104 . 0 0 "[ . 1 . 2]" 1
666 1 32 TRP HE3 1 60 ALA HA . . 4.500 4.052 3.744 4.237 . 0 0 "[ . 1 . 2]" 1
667 1 32 TRP HE3 1 63 LEU H . . 5.220 4.861 4.471 5.121 . 0 0 "[ . 1 . 2]" 1
668 1 32 TRP HE3 1 63 LEU HB2 . . 3.990 2.670 2.363 2.846 . 0 0 "[ . 1 . 2]" 1
669 1 32 TRP HE3 1 63 LEU HB3 . . 4.340 3.581 3.375 3.714 . 0 0 "[ . 1 . 2]" 1
670 1 32 TRP HE3 1 63 LEU MD1 . . 3.670 3.259 3.075 3.440 . 0 0 "[ . 1 . 2]" 1
671 1 32 TRP HE3 1 63 LEU MD2 . . 3.300 1.988 1.942 2.103 . 0 0 "[ . 1 . 2]" 1
672 1 32 TRP HE3 1 63 LEU HG . . 4.640 4.580 4.463 4.649 0.009 16 0 "[ . 1 . 2]" 1
673 1 32 TRP HH2 1 46 ILE HA . . 4.170 3.176 2.842 3.596 . 0 0 "[ . 1 . 2]" 1
674 1 32 TRP HH2 1 46 ILE MG . . 3.300 2.367 1.956 2.668 . 0 0 "[ . 1 . 2]" 1
675 1 32 TRP HH2 1 49 ILE HB . . 3.970 3.154 2.884 3.572 . 0 0 "[ . 1 . 2]" 1
676 1 32 TRP HH2 1 49 ILE MD . . 4.280 3.886 3.384 4.147 . 0 0 "[ . 1 . 2]" 1
677 1 32 TRP HH2 1 49 ILE MG . . 4.040 3.429 3.197 3.697 . 0 0 "[ . 1 . 2]" 1
678 1 32 TRP HH2 1 50 GLU H . . 4.080 2.801 2.570 3.060 . 0 0 "[ . 1 . 2]" 1
679 1 32 TRP HH2 1 50 GLU HB2 . . 3.860 3.220 2.973 3.380 . 0 0 "[ . 1 . 2]" 1
680 1 32 TRP HH2 1 50 GLU HB3 . . 4.580 4.628 4.592 4.686 0.106 5 0 "[ . 1 . 2]" 1
681 1 32 TRP HH2 1 50 GLU HG3 . . 3.910 2.366 2.003 3.407 . 0 0 "[ . 1 . 2]" 1
682 1 32 TRP HZ2 1 33 LYS HB2 . . 4.820 4.149 3.787 4.574 . 0 0 "[ . 1 . 2]" 1
683 1 32 TRP HZ2 1 33 LYS QD . . 4.350 3.468 2.772 4.358 0.008 11 0 "[ . 1 . 2]" 1
684 1 32 TRP HZ2 1 46 ILE MG . . 4.620 4.110 3.717 4.527 . 0 0 "[ . 1 . 2]" 1
685 1 32 TRP HZ2 1 49 ILE MG . . 4.100 3.750 3.561 4.105 0.005 16 0 "[ . 1 . 2]" 1
686 1 32 TRP HZ2 1 50 GLU H . . 4.490 3.994 3.607 4.271 . 0 0 "[ . 1 . 2]" 1
687 1 32 TRP HZ2 1 50 GLU HA . . 3.840 3.324 2.887 3.887 0.047 5 0 "[ . 1 . 2]" 1
688 1 32 TRP HZ2 1 50 GLU HB2 . . 4.020 3.930 3.357 4.100 0.080 19 0 "[ . 1 . 2]" 1
689 1 32 TRP HZ2 1 50 GLU HB3 . . 4.530 4.477 4.374 4.600 0.070 12 0 "[ . 1 . 2]" 1
690 1 32 TRP HZ2 1 50 GLU HG2 . . 3.500 2.159 1.973 3.508 0.008 5 0 "[ . 1 . 2]" 1
691 1 32 TRP HZ2 1 50 GLU HG3 . . 3.520 1.976 1.896 1.997 . 0 0 "[ . 1 . 2]" 1
692 1 32 TRP HZ2 1 59 ARG QD . . 3.940 2.208 1.965 3.773 . 0 0 "[ . 1 . 2]" 1
693 1 32 TRP HZ3 1 33 LYS HA . . 4.740 4.045 3.783 4.466 . 0 0 "[ . 1 . 2]" 1
694 1 32 TRP HZ3 1 36 ALA MB . . 4.080 3.223 2.931 3.411 . 0 0 "[ . 1 . 2]" 1
695 1 32 TRP HZ3 1 46 ILE HA . . 3.840 2.282 2.001 2.485 . 0 0 "[ . 1 . 2]" 1
696 1 32 TRP HZ3 1 46 ILE MD . . 4.520 4.436 4.204 4.544 0.024 20 0 "[ . 1 . 2]" 1
697 1 32 TRP HZ3 1 46 ILE HG12 . . 4.680 3.059 2.800 3.529 . 0 0 "[ . 1 . 2]" 1
698 1 32 TRP HZ3 1 46 ILE MG . . 3.980 2.546 2.096 2.810 . 0 0 "[ . 1 . 2]" 1
699 1 32 TRP HZ3 1 49 ILE HB . . 4.340 3.167 2.932 3.490 . 0 0 "[ . 1 . 2]" 1
700 1 32 TRP HZ3 1 49 ILE MD . . 3.800 2.534 2.014 2.875 . 0 0 "[ . 1 . 2]" 1
701 1 32 TRP HZ3 1 49 ILE MG . . 4.190 3.537 3.299 3.739 . 0 0 "[ . 1 . 2]" 1
702 1 32 TRP HZ3 1 50 GLU H . . 4.760 4.404 4.232 4.548 . 0 0 "[ . 1 . 2]" 1
703 1 32 TRP HZ3 1 63 LEU HB2 . . 4.290 3.881 3.595 4.056 . 0 0 "[ . 1 . 2]" 1
704 1 32 TRP HZ3 1 63 LEU HB3 . . 5.500 5.403 5.136 5.508 0.008 18 0 "[ . 1 . 2]" 1
705 1 32 TRP HZ3 1 63 LEU MD1 . . 4.010 3.883 3.639 4.026 0.016 6 0 "[ . 1 . 2]" 1
706 1 32 TRP HZ3 1 63 LEU MD2 . . 3.920 3.935 3.849 3.989 0.069 17 0 "[ . 1 . 2]" 1
707 1 33 LYS H 1 33 LYS HB2 . . 3.350 2.294 2.085 2.554 . 0 0 "[ . 1 . 2]" 1
708 1 33 LYS H 1 33 LYS HB3 . . 3.420 2.783 2.495 2.998 . 0 0 "[ . 1 . 2]" 1
709 1 33 LYS H 1 33 LYS QD . . 4.870 4.285 3.963 4.454 . 0 0 "[ . 1 . 2]" 1
710 1 33 LYS H 1 33 LYS HG2 . . 4.610 4.544 4.431 4.648 0.038 17 0 "[ . 1 . 2]" 1
711 1 33 LYS H 1 33 LYS HG3 . . 4.420 4.206 3.913 4.441 0.021 15 0 "[ . 1 . 2]" 1
712 1 33 LYS H 1 34 ILE H . . 3.620 2.438 2.285 2.627 . 0 0 "[ . 1 . 2]" 1
713 1 33 LYS H 1 35 LEU H . . 5.120 3.953 3.786 4.115 . 0 0 "[ . 1 . 2]" 1
714 1 33 LYS H 1 36 ALA H . . 5.500 4.631 4.517 4.748 . 0 0 "[ . 1 . 2]" 1
715 1 33 LYS HA 1 33 LYS QD . . 4.030 3.652 2.973 4.000 . 0 0 "[ . 1 . 2]" 1
716 1 33 LYS HA 1 33 LYS HG2 . . 3.760 2.952 2.395 3.620 . 0 0 "[ . 1 . 2]" 1
717 1 33 LYS HA 1 33 LYS HG3 . . 3.490 2.274 2.026 2.470 . 0 0 "[ . 1 . 2]" 1
718 1 33 LYS HA 1 34 ILE HA . . 4.740 4.608 4.588 4.630 . 0 0 "[ . 1 . 2]" 1
719 1 33 LYS HA 1 35 LEU H . . 5.060 3.997 3.949 4.082 . 0 0 "[ . 1 . 2]" 1
720 1 33 LYS HA 1 36 ALA H . . 3.930 3.180 3.115 3.267 . 0 0 "[ . 1 . 2]" 1
721 1 33 LYS HA 1 36 ALA MB . . 3.330 2.095 1.969 2.195 . 0 0 "[ . 1 . 2]" 1
722 1 33 LYS HA 1 46 ILE MD . . 4.370 4.223 3.822 4.391 0.021 13 0 "[ . 1 . 2]" 1
723 1 33 LYS HA 1 46 ILE MG . . 3.990 3.391 3.051 3.718 . 0 0 "[ . 1 . 2]" 1
724 1 33 LYS HB2 1 33 LYS QD . . 3.700 2.304 1.984 2.577 . 0 0 "[ . 1 . 2]" 1
725 1 33 LYS HB2 1 33 LYS HE2 . . 4.750 4.414 3.938 4.712 . 0 0 "[ . 1 . 2]" 1
726 1 33 LYS HB2 1 33 LYS HE3 . . 4.650 4.365 3.663 4.738 0.088 19 0 "[ . 1 . 2]" 1
727 1 33 LYS HB2 1 34 ILE H . . 4.520 4.078 3.937 4.287 . 0 0 "[ . 1 . 2]" 1
728 1 33 LYS HB2 1 46 ILE MG . . 4.510 4.267 3.940 4.539 0.029 18 0 "[ . 1 . 2]" 1
729 1 33 LYS HB3 1 33 LYS QD . . 3.710 2.595 2.205 3.082 . 0 0 "[ . 1 . 2]" 1
730 1 33 LYS HB3 1 33 LYS HE2 . . 4.540 4.262 3.746 4.570 0.030 15 0 "[ . 1 . 2]" 1
731 1 33 LYS HB3 1 33 LYS HE3 . . 4.570 4.520 4.207 4.595 0.025 13 0 "[ . 1 . 2]" 1
732 1 33 LYS HB3 1 34 ILE H . . 4.120 3.526 3.408 3.636 . 0 0 "[ . 1 . 2]" 1
733 1 33 LYS QD 1 46 ILE MG . . 4.160 3.085 1.825 4.109 . 0 0 "[ . 1 . 2]" 1
734 1 33 LYS HE2 1 33 LYS HG2 . . 3.700 2.695 2.295 2.985 . 0 0 "[ . 1 . 2]" 1
735 1 33 LYS HE2 1 33 LYS HG3 . . 3.950 3.312 2.142 3.900 . 0 0 "[ . 1 . 2]" 1
736 1 33 LYS HE2 1 46 ILE MG . . 3.830 3.375 2.134 3.842 0.012 20 0 "[ . 1 . 2]" 1
737 1 33 LYS HE3 1 33 LYS HG2 . . 3.860 2.768 2.105 3.870 0.010 15 0 "[ . 1 . 2]" 1
738 1 33 LYS HE3 1 33 LYS HG3 . . 3.770 2.709 2.410 2.950 . 0 0 "[ . 1 . 2]" 1
739 1 33 LYS HE3 1 46 ILE MG . . 3.570 2.627 2.122 3.549 . 0 0 "[ . 1 . 2]" 1
740 1 33 LYS HG3 1 34 ILE H . . 5.500 5.131 4.621 5.407 . 0 0 "[ . 1 . 2]" 1
741 1 33 LYS HG3 1 36 ALA MB . . 4.690 3.374 3.060 3.783 . 0 0 "[ . 1 . 2]" 1
742 1 33 LYS HG3 1 46 ILE MG . . 3.770 2.482 2.029 3.173 . 0 0 "[ . 1 . 2]" 1
743 1 34 ILE H 1 34 ILE HB . . 3.170 2.427 2.363 2.484 . 0 0 "[ . 1 . 2]" 1
744 1 34 ILE H 1 34 ILE MD . . 3.940 3.694 3.565 3.802 . 0 0 "[ . 1 . 2]" 1
745 1 34 ILE H 1 34 ILE HG12 . . 3.750 3.640 3.416 3.773 0.023 2 0 "[ . 1 . 2]" 1
746 1 34 ILE H 1 34 ILE HG13 . . 3.590 2.419 2.304 2.525 . 0 0 "[ . 1 . 2]" 1
747 1 34 ILE H 1 34 ILE MG . . 4.060 3.745 3.714 3.766 . 0 0 "[ . 1 . 2]" 1
748 1 34 ILE H 1 35 LEU HB2 . . 4.830 3.969 3.899 4.069 . 0 0 "[ . 1 . 2]" 1
749 1 34 ILE H 1 36 ALA H . . 4.710 3.446 3.396 3.484 . 0 0 "[ . 1 . 2]" 1
750 1 34 ILE HA 1 34 ILE HG12 . . 3.460 2.552 2.470 2.643 . 0 0 "[ . 1 . 2]" 1
751 1 34 ILE HA 1 34 ILE HG13 . . 3.670 3.006 2.878 3.180 . 0 0 "[ . 1 . 2]" 1
752 1 34 ILE HA 1 34 ILE MG . . 2.850 2.435 2.348 2.518 . 0 0 "[ . 1 . 2]" 1
753 1 34 ILE HB 1 34 ILE MD . . 3.350 2.278 2.153 2.438 . 0 0 "[ . 1 . 2]" 1
754 1 34 ILE HB 1 35 LEU H . . 3.740 3.146 3.074 3.189 . 0 0 "[ . 1 . 2]" 1
755 1 34 ILE HB 1 89 LEU MD1 . . 3.860 3.129 2.821 3.939 0.079 3 0 "[ . 1 . 2]" 1
756 1 34 ILE HB 1 89 LEU MD2 . . 3.350 2.064 1.960 2.364 . 0 0 "[ . 1 . 2]" 1
757 1 34 ILE HG13 1 35 LEU H . . 4.800 4.346 4.230 4.446 . 0 0 "[ . 1 . 2]" 1
758 1 34 ILE HG13 1 36 ALA H . . 5.500 5.563 5.510 5.612 0.112 9 0 "[ . 1 . 2]" 1
759 1 34 ILE HG13 1 89 LEU MD2 . . 4.320 4.136 3.942 4.322 0.002 6 0 "[ . 1 . 2]" 1
760 1 34 ILE MG 1 36 ALA H . . 4.900 4.938 4.867 4.995 0.095 12 0 "[ . 1 . 2]" 1
761 1 34 ILE MG 1 38 TYR QD . . 4.310 3.568 3.361 3.853 . 0 0 "[ . 1 . 2]" 1
762 1 34 ILE MG 1 38 TYR QE . . 4.380 3.568 3.337 3.994 . 0 0 "[ . 1 . 2]" 1
763 1 34 ILE MG 1 87 SER HA . . 4.390 3.578 3.355 3.730 . 0 0 "[ . 1 . 2]" 1
764 1 34 ILE MG 1 87 SER HB2 . . 3.520 2.468 2.155 2.861 . 0 0 "[ . 1 . 2]" 1
765 1 34 ILE MG 1 89 LEU MD2 . . 2.620 2.153 1.886 2.543 . 0 0 "[ . 1 . 2]" 1
766 1 34 ILE MG 1 89 LEU HG . . 4.030 4.033 3.916 4.089 0.059 9 0 "[ . 1 . 2]" 1
767 1 35 LEU H 1 35 LEU HB2 . . 3.470 2.174 2.151 2.192 . 0 0 "[ . 1 . 2]" 1
768 1 35 LEU H 1 35 LEU HB3 . . 3.470 3.320 3.189 3.382 . 0 0 "[ . 1 . 2]" 1
769 1 35 LEU H 1 35 LEU MD2 . . 3.670 3.876 3.826 3.965 0.295 8 0 "[ . 1 . 2]" 1
770 1 35 LEU H 1 35 LEU HG . . 4.910 3.676 3.536 3.930 . 0 0 "[ . 1 . 2]" 1
771 1 35 LEU H 1 36 ALA H . . 3.530 2.150 2.114 2.182 . 0 0 "[ . 1 . 2]" 1
772 1 35 LEU H 1 36 ALA HA . . 5.500 4.620 4.595 4.647 . 0 0 "[ . 1 . 2]" 1
773 1 35 LEU H 1 36 ALA MB . . 3.680 3.645 3.605 3.705 0.025 2 0 "[ . 1 . 2]" 1
774 1 35 LEU H 1 37 PRO HD2 . . 4.380 3.258 3.203 3.319 . 0 0 "[ . 1 . 2]" 1
775 1 35 LEU HA 1 35 LEU MD1 . . 4.100 3.661 3.628 3.688 . 0 0 "[ . 1 . 2]" 1
776 1 35 LEU HA 1 35 LEU MD2 . . 2.960 1.790 1.749 1.823 . 0 0 "[ . 1 . 2]" 1
777 1 35 LEU HA 1 35 LEU HG . . 3.740 2.986 2.948 3.033 . 0 0 "[ . 1 . 2]" 1
778 1 35 LEU HA 1 36 ALA HA . . 4.750 4.812 4.784 4.878 0.128 14 0 "[ . 1 . 2]" 1
779 1 35 LEU HA 1 37 PRO HD2 . . 4.750 3.228 2.909 3.333 . 0 0 "[ . 1 . 2]" 1
780 1 35 LEU HA 1 38 TYR HB2 . . 4.440 1.941 1.863 1.978 . 0 0 "[ . 1 . 2]" 1
781 1 35 LEU HA 1 38 TYR QD . . 3.610 3.400 3.209 3.561 . 0 0 "[ . 1 . 2]" 1
782 1 35 LEU HA 1 87 SER HB2 . . 3.890 3.421 3.229 3.567 . 0 0 "[ . 1 . 2]" 1
783 1 35 LEU HA 1 87 SER HB3 . . 3.970 3.967 3.816 4.093 0.123 12 0 "[ . 1 . 2]" 1
784 1 35 LEU HB2 1 35 LEU MD1 . . 3.200 2.617 2.567 2.678 . 0 0 "[ . 1 . 2]" 1
785 1 35 LEU HB2 1 35 LEU MD2 . . 3.550 3.173 3.147 3.190 . 0 0 "[ . 1 . 2]" 1
786 1 35 LEU HB2 1 36 ALA H . . 3.710 3.578 3.469 3.729 0.019 8 0 "[ . 1 . 2]" 1
787 1 35 LEU HB3 1 35 LEU MD1 . . 3.020 2.107 2.031 2.221 . 0 0 "[ . 1 . 2]" 1
788 1 35 LEU HB3 1 36 ALA H . . 3.740 3.812 3.740 3.862 0.122 16 0 "[ . 1 . 2]" 1
789 1 35 LEU MD1 1 39 LEU MD1 . . 3.990 2.273 1.900 2.503 . 0 0 "[ . 1 . 2]" 1
790 1 35 LEU MD1 1 39 LEU MD2 . . 2.970 2.345 1.956 2.750 . 0 0 "[ . 1 . 2]" 1
791 1 35 LEU MD1 1 80 LEU HA . . 4.340 3.779 3.312 4.121 . 0 0 "[ . 1 . 2]" 1
792 1 35 LEU MD1 1 80 LEU MD1 . . 2.920 1.861 1.709 2.182 . 0 0 "[ . 1 . 2]" 1
793 1 35 LEU MD2 1 36 ALA H . . 4.650 4.555 4.462 4.614 . 0 0 "[ . 1 . 2]" 1
794 1 35 LEU MD2 1 37 PRO HD2 . . 4.450 4.426 4.197 4.506 0.056 1 0 "[ . 1 . 2]" 1
795 1 35 LEU MD2 1 38 TYR H . . 4.220 3.754 3.475 3.908 . 0 0 "[ . 1 . 2]" 1
796 1 35 LEU MD2 1 38 TYR HB2 . . 3.630 2.220 2.036 2.314 . 0 0 "[ . 1 . 2]" 1
797 1 35 LEU MD2 1 38 TYR HB3 . . 3.560 2.412 2.201 2.582 . 0 0 "[ . 1 . 2]" 1
798 1 35 LEU MD2 1 38 TYR QD . . 4.050 3.449 3.250 3.538 . 0 0 "[ . 1 . 2]" 1
799 1 35 LEU MD2 1 38 TYR QE . . 4.810 4.755 4.560 4.858 0.048 3 0 "[ . 1 . 2]" 1
800 1 35 LEU MD2 1 39 LEU H . . 4.260 4.256 3.940 4.335 0.075 13 0 "[ . 1 . 2]" 1
801 1 35 LEU MD2 1 39 LEU MD1 . . 3.250 1.900 1.808 1.979 . 0 0 "[ . 1 . 2]" 1
802 1 35 LEU MD2 1 39 LEU MD2 . . 3.680 3.557 3.260 3.683 0.003 17 0 "[ . 1 . 2]" 1
803 1 35 LEU MD2 1 80 LEU MD1 . . 3.730 3.065 2.750 3.355 . 0 0 "[ . 1 . 2]" 1
804 1 35 LEU MD2 1 83 ALA H . . 4.840 4.366 4.290 4.549 . 0 0 "[ . 1 . 2]" 1
805 1 35 LEU MD2 1 83 ALA HA . . 4.270 3.982 3.824 4.136 . 0 0 "[ . 1 . 2]" 1
806 1 35 LEU MD2 1 83 ALA MB . . 2.860 2.061 1.870 2.306 . 0 0 "[ . 1 . 2]" 1
807 1 35 LEU MD2 1 84 LEU H . . 3.990 2.955 2.752 3.253 . 0 0 "[ . 1 . 2]" 1
808 1 35 LEU MD2 1 84 LEU HA . . 3.220 2.487 2.233 2.843 . 0 0 "[ . 1 . 2]" 1
809 1 35 LEU MD2 1 84 LEU HG . . 4.070 2.731 2.506 3.111 . 0 0 "[ . 1 . 2]" 1
810 1 35 LEU MD2 1 87 SER H . . 4.510 3.909 3.770 4.055 . 0 0 "[ . 1 . 2]" 1
811 1 35 LEU MD2 1 87 SER HB3 . . 3.830 2.234 2.044 2.413 . 0 0 "[ . 1 . 2]" 1
812 1 35 LEU MD2 1 87 SER HG . . 3.660 3.452 3.051 3.661 0.001 8 0 "[ . 1 . 2]" 1
813 1 36 ALA H 1 36 ALA MB . . 2.960 1.942 1.933 1.966 . 0 0 "[ . 1 . 2]" 1
814 1 36 ALA H 1 37 PRO HD2 . . 3.950 2.158 2.093 2.298 . 0 0 "[ . 1 . 2]" 1
815 1 36 ALA H 1 37 PRO HD3 . . 3.870 2.416 2.376 2.477 . 0 0 "[ . 1 . 2]" 1
816 1 36 ALA H 1 37 PRO HG2 . . 5.010 4.390 4.328 4.519 . 0 0 "[ . 1 . 2]" 1
817 1 36 ALA H 1 38 TYR H . . 5.170 3.705 3.652 3.946 . 0 0 "[ . 1 . 2]" 1
818 1 36 ALA H 1 39 LEU MD2 . . 4.760 4.323 4.059 4.476 . 0 0 "[ . 1 . 2]" 1
819 1 36 ALA H 1 63 LEU MD1 . . 4.330 4.269 4.083 4.361 0.031 17 0 "[ . 1 . 2]" 1
820 1 36 ALA H 1 63 LEU MD2 . . 4.020 3.244 3.007 3.562 . 0 0 "[ . 1 . 2]" 1
821 1 36 ALA HA 1 38 TYR H . . 5.040 3.699 3.625 4.416 . 0 0 "[ . 1 . 2]" 1
822 1 36 ALA HA 1 39 LEU H . . 4.320 3.373 3.271 3.692 . 0 0 "[ . 1 . 2]" 1
823 1 36 ALA HA 1 39 LEU HB2 . . 4.480 2.592 2.554 2.650 . 0 0 "[ . 1 . 2]" 1
824 1 36 ALA HA 1 39 LEU HB3 . . 4.810 4.015 3.974 4.080 . 0 0 "[ . 1 . 2]" 1
825 1 36 ALA HA 1 39 LEU MD1 . . 4.570 4.133 4.052 4.336 . 0 0 "[ . 1 . 2]" 1
826 1 36 ALA HA 1 39 LEU MD2 . . 3.800 3.117 2.993 3.197 . 0 0 "[ . 1 . 2]" 1
827 1 36 ALA HA 1 41 MET H . . 5.490 4.270 3.873 4.446 . 0 0 "[ . 1 . 2]" 1
828 1 36 ALA HA 1 41 MET QB . . 3.980 3.426 3.036 3.586 . 0 0 "[ . 1 . 2]" 1
829 1 36 ALA HA 1 41 MET ME . . 5.210 4.287 4.004 4.694 . 0 0 "[ . 1 . 2]" 1
830 1 36 ALA HA 1 41 MET HG2 . . 4.640 3.041 2.644 3.458 . 0 0 "[ . 1 . 2]" 1
831 1 36 ALA HA 1 41 MET HG3 . . 4.570 2.560 2.033 2.922 . 0 0 "[ . 1 . 2]" 1
832 1 36 ALA HA 1 63 LEU MD1 . . 3.290 2.486 2.250 2.680 . 0 0 "[ . 1 . 2]" 1
833 1 36 ALA HA 1 63 LEU MD2 . . 3.510 2.901 2.418 3.244 . 0 0 "[ . 1 . 2]" 1
834 1 36 ALA MB 1 37 PRO HA . . 4.630 3.799 3.788 3.832 . 0 0 "[ . 1 . 2]" 1
835 1 36 ALA MB 1 37 PRO HD2 . . 3.390 3.010 2.934 3.094 . 0 0 "[ . 1 . 2]" 1
836 1 36 ALA MB 1 37 PRO HD3 . . 3.090 2.003 1.922 2.094 . 0 0 "[ . 1 . 2]" 1
837 1 36 ALA MB 1 38 TYR H . . 4.560 4.083 4.052 4.396 . 0 0 "[ . 1 . 2]" 1
838 1 36 ALA MB 1 39 LEU H . . 4.610 4.448 4.406 4.565 . 0 0 "[ . 1 . 2]" 1
839 1 36 ALA MB 1 39 LEU MD2 . . 4.180 4.215 4.184 4.259 0.079 13 0 "[ . 1 . 2]" 1
840 1 36 ALA MB 1 41 MET H . . 4.780 4.507 4.241 4.667 . 0 0 "[ . 1 . 2]" 1
841 1 36 ALA MB 1 41 MET QB . . 3.190 3.104 2.734 3.224 0.034 3 0 "[ . 1 . 2]" 1
842 1 36 ALA MB 1 41 MET HG2 . . 4.050 4.007 3.719 4.234 0.184 5 0 "[ . 1 . 2]" 1
843 1 36 ALA MB 1 41 MET HG3 . . 4.210 3.155 2.569 3.391 . 0 0 "[ . 1 . 2]" 1
844 1 36 ALA MB 1 46 ILE HA . . 4.480 3.847 3.620 4.062 . 0 0 "[ . 1 . 2]" 1
845 1 36 ALA MB 1 46 ILE HB . . 4.850 4.290 4.152 4.492 . 0 0 "[ . 1 . 2]" 1
846 1 36 ALA MB 1 46 ILE MD . . 2.910 2.001 1.846 2.213 . 0 0 "[ . 1 . 2]" 1
847 1 36 ALA MB 1 46 ILE HG12 . . 3.790 1.984 1.859 2.160 . 0 0 "[ . 1 . 2]" 1
848 1 36 ALA MB 1 46 ILE HG13 . . 4.030 3.154 2.943 3.429 . 0 0 "[ . 1 . 2]" 1
849 1 36 ALA MB 1 63 LEU MD1 . . 3.050 2.668 2.462 2.935 . 0 0 "[ . 1 . 2]" 1
850 1 37 PRO HA 1 39 LEU H . . 4.300 3.822 3.533 3.943 . 0 0 "[ . 1 . 2]" 1
851 1 37 PRO HA 1 41 MET H . . 3.870 3.866 3.359 3.931 0.061 20 0 "[ . 1 . 2]" 1
852 1 37 PRO HA 1 46 ILE MD . . 3.810 3.760 3.395 3.853 0.043 5 0 "[ . 1 . 2]" 1
853 1 37 PRO HB2 1 38 TYR H . . 4.180 3.981 3.406 4.040 . 0 0 "[ . 1 . 2]" 1
854 1 37 PRO HB2 1 38 TYR QD . . 4.170 3.259 2.968 3.459 . 0 0 "[ . 1 . 2]" 1
855 1 37 PRO HB3 1 46 ILE MD . . 4.290 3.991 3.781 4.169 . 0 0 "[ . 1 . 2]" 1
856 1 37 PRO HD2 1 38 TYR H . . 3.900 2.669 2.256 2.732 . 0 0 "[ . 1 . 2]" 1
857 1 37 PRO HD2 1 38 TYR QD . . 3.980 2.949 2.558 3.236 . 0 0 "[ . 1 . 2]" 1
858 1 37 PRO HD3 1 38 TYR H . . 4.240 3.811 3.657 3.840 . 0 0 "[ . 1 . 2]" 1
859 1 37 PRO HD3 1 38 TYR QD . . 4.670 4.427 4.049 4.603 . 0 0 "[ . 1 . 2]" 1
860 1 37 PRO HD3 1 46 ILE MD . . 3.630 3.416 3.152 3.633 0.003 14 0 "[ . 1 . 2]" 1
861 1 37 PRO HG2 1 38 TYR H . . 4.140 3.790 2.956 3.884 . 0 0 "[ . 1 . 2]" 1
862 1 37 PRO HG2 1 38 TYR QD . . 4.090 2.390 2.224 2.504 . 0 0 "[ . 1 . 2]" 1
863 1 37 PRO HG2 1 38 TYR QE . . 4.440 3.378 2.712 3.625 . 0 0 "[ . 1 . 2]" 1
864 1 37 PRO HG3 1 38 TYR H . . 4.720 4.710 4.156 4.774 0.054 4 0 "[ . 1 . 2]" 1
865 1 37 PRO HG3 1 38 TYR QD . . 4.850 4.082 3.854 4.211 . 0 0 "[ . 1 . 2]" 1
866 1 37 PRO HG3 1 38 TYR QE . . 5.130 4.924 4.267 5.134 0.004 8 0 "[ . 1 . 2]" 1
867 1 38 TYR H 1 38 TYR HB2 . . 3.460 2.212 2.003 2.266 . 0 0 "[ . 1 . 2]" 1
868 1 38 TYR H 1 38 TYR HB3 . . 3.770 3.444 3.345 3.515 . 0 0 "[ . 1 . 2]" 1
869 1 38 TYR H 1 38 TYR QD . . 3.360 2.960 2.443 3.127 . 0 0 "[ . 1 . 2]" 1
870 1 38 TYR H 1 38 TYR QE . . 5.380 5.272 4.843 5.402 0.022 4 0 "[ . 1 . 2]" 1
871 1 38 TYR H 1 39 LEU H . . 3.330 1.999 1.921 2.532 . 0 0 "[ . 1 . 2]" 1
872 1 38 TYR H 1 40 GLU H . . 4.570 3.714 3.553 4.041 . 0 0 "[ . 1 . 2]" 1
873 1 38 TYR H 1 41 MET H . . 5.390 4.819 4.552 5.273 . 0 0 "[ . 1 . 2]" 1
874 1 38 TYR HA 1 38 TYR QD . . 3.400 3.111 3.066 3.169 . 0 0 "[ . 1 . 2]" 1
875 1 38 TYR HA 1 38 TYR QE . . 4.600 4.664 4.638 4.731 0.131 16 0 "[ . 1 . 2]" 1
876 1 38 TYR HA 1 40 GLU H . . 4.310 3.530 3.366 3.691 . 0 0 "[ . 1 . 2]" 1
877 1 38 TYR HA 1 83 ALA MB . . 4.350 4.383 4.345 4.425 0.075 13 0 "[ . 1 . 2]" 1
878 1 38 TYR HB2 1 39 LEU H . . 4.490 3.464 3.292 3.594 . 0 0 "[ . 1 . 2]" 1
879 1 38 TYR HB2 1 83 ALA MB . . 3.660 3.585 3.406 3.683 0.023 18 0 "[ . 1 . 2]" 1
880 1 38 TYR HB3 1 39 LEU H . . 4.700 4.014 3.953 4.090 . 0 0 "[ . 1 . 2]" 1
881 1 38 TYR HB3 1 83 ALA HA . . 4.000 4.014 3.955 4.055 0.055 4 0 "[ . 1 . 2]" 1
882 1 38 TYR HB3 1 83 ALA MB . . 3.530 2.310 2.176 2.497 . 0 0 "[ . 1 . 2]" 1
883 1 38 TYR HB3 1 86 LYS QD . . 4.690 3.990 3.526 4.331 . 0 0 "[ . 1 . 2]" 1
884 1 38 TYR QD 1 39 LEU H . . 4.980 4.681 4.434 4.789 . 0 0 "[ . 1 . 2]" 1
885 1 38 TYR QD 1 39 LEU MD1 . . 4.500 4.396 4.310 4.488 . 0 0 "[ . 1 . 2]" 1
886 1 38 TYR QD 1 83 ALA HA . . 4.620 3.285 2.948 3.418 . 0 0 "[ . 1 . 2]" 1
887 1 38 TYR QD 1 83 ALA MB . . 4.350 3.126 2.955 3.310 . 0 0 "[ . 1 . 2]" 1
888 1 38 TYR QD 1 86 LYS QD . . 3.580 2.458 1.908 2.821 . 0 0 "[ . 1 . 2]" 1
889 1 38 TYR QD 1 86 LYS QE . . 4.280 2.545 1.981 3.990 . 0 0 "[ . 1 . 2]" 1
890 1 38 TYR QD 1 86 LYS HG3 . . 4.340 2.003 1.972 2.079 . 0 0 "[ . 1 . 2]" 1
891 1 38 TYR QD 1 87 SER HB2 . . 3.680 3.297 2.923 3.572 . 0 0 "[ . 1 . 2]" 1
892 1 38 TYR QD 1 87 SER HB3 . . 3.910 3.375 2.975 3.643 . 0 0 "[ . 1 . 2]" 1
893 1 38 TYR QE 1 86 LYS QB . . 3.700 2.270 1.981 2.546 . 0 0 "[ . 1 . 2]" 1
894 1 38 TYR QE 1 86 LYS QD . . 4.850 3.324 2.197 3.823 . 0 0 "[ . 1 . 2]" 1
895 1 38 TYR QE 1 86 LYS QE . . 4.230 2.483 1.952 4.183 . 0 0 "[ . 1 . 2]" 1
896 1 38 TYR QE 1 86 LYS HG2 . . 4.830 3.673 3.489 4.040 . 0 0 "[ . 1 . 2]" 1
897 1 38 TYR QE 1 86 LYS HG3 . . 4.270 2.073 1.986 2.420 . 0 0 "[ . 1 . 2]" 1
898 1 38 TYR QE 1 87 SER HA . . 3.440 2.787 2.509 2.904 . 0 0 "[ . 1 . 2]" 1
899 1 38 TYR QE 1 87 SER HB2 . . 4.430 3.710 3.337 4.009 . 0 0 "[ . 1 . 2]" 1
900 1 38 TYR QE 1 87 SER HB3 . . 4.140 4.046 3.771 4.160 0.020 13 0 "[ . 1 . 2]" 1
901 1 39 LEU H 1 39 LEU HB2 . . 3.690 2.264 2.219 2.326 . 0 0 "[ . 1 . 2]" 1
902 1 39 LEU H 1 39 LEU HB3 . . 4.000 3.440 3.398 3.482 . 0 0 "[ . 1 . 2]" 1
903 1 39 LEU H 1 39 LEU MD1 . . 3.840 2.876 2.795 2.973 . 0 0 "[ . 1 . 2]" 1
904 1 39 LEU H 1 39 LEU MD2 . . 4.340 3.984 3.879 4.093 . 0 0 "[ . 1 . 2]" 1
905 1 39 LEU H 1 40 GLU HA . . 4.620 4.281 4.139 4.430 . 0 0 "[ . 1 . 2]" 1
906 1 39 LEU H 1 40 GLU QB . . 5.070 5.071 4.962 5.146 0.076 7 0 "[ . 1 . 2]" 1
907 1 39 LEU H 1 41 MET H . . 4.430 3.487 3.309 3.626 . 0 0 "[ . 1 . 2]" 1
908 1 39 LEU H 1 41 MET HG3 . . 4.840 4.527 4.151 4.795 . 0 0 "[ . 1 . 2]" 1
909 1 39 LEU HA 1 39 LEU MD1 . . 2.980 1.988 1.934 2.088 . 0 0 "[ . 1 . 2]" 1
910 1 39 LEU HA 1 39 LEU MD2 . . 4.150 3.797 3.789 3.805 . 0 0 "[ . 1 . 2]" 1
911 1 39 LEU HA 1 39 LEU HG . . 4.210 2.632 2.588 2.754 . 0 0 "[ . 1 . 2]" 1
912 1 39 LEU HA 1 40 GLU QB . . 4.950 4.345 4.276 4.470 . 0 0 "[ . 1 . 2]" 1
913 1 39 LEU HA 1 67 TRP HD1 . . 4.440 3.624 3.296 3.901 . 0 0 "[ . 1 . 2]" 1
914 1 39 LEU HA 1 67 TRP HE1 . . 4.990 3.778 3.544 3.997 . 0 0 "[ . 1 . 2]" 1
915 1 39 LEU HA 1 83 ALA MB . . 4.130 4.033 3.924 4.151 0.021 14 0 "[ . 1 . 2]" 1
916 1 39 LEU HB2 1 39 LEU MD1 . . 3.590 2.611 2.572 2.635 . 0 0 "[ . 1 . 2]" 1
917 1 39 LEU HB2 1 39 LEU MD2 . . 3.280 2.163 2.130 2.188 . 0 0 "[ . 1 . 2]" 1
918 1 39 LEU HB2 1 40 GLU H . . 4.820 3.830 3.668 4.124 . 0 0 "[ . 1 . 2]" 1
919 1 39 LEU HB2 1 41 MET ME . . 4.870 4.072 3.902 4.254 . 0 0 "[ . 1 . 2]" 1
920 1 39 LEU HB2 1 41 MET HG3 . . 4.310 3.220 3.033 3.386 . 0 0 "[ . 1 . 2]" 1
921 1 39 LEU HB2 1 67 TRP HD1 . . 4.090 4.034 3.841 4.100 0.010 19 0 "[ . 1 . 2]" 1
922 1 39 LEU HB2 1 67 TRP HE1 . . 5.500 5.489 5.283 5.531 0.031 11 0 "[ . 1 . 2]" 1
923 1 39 LEU HB3 1 39 LEU MD1 . . 3.350 3.193 3.178 3.198 . 0 0 "[ . 1 . 2]" 1
924 1 39 LEU HB3 1 39 LEU MD2 . . 3.260 2.532 2.495 2.612 . 0 0 "[ . 1 . 2]" 1
925 1 39 LEU HB3 1 40 GLU H . . 4.750 4.154 4.007 4.355 . 0 0 "[ . 1 . 2]" 1
926 1 39 LEU HB3 1 41 MET ME . . 4.650 3.366 2.958 3.621 . 0 0 "[ . 1 . 2]" 1
927 1 39 LEU HB3 1 41 MET HG3 . . 4.660 3.490 3.347 3.863 . 0 0 "[ . 1 . 2]" 1
928 1 39 LEU HB3 1 67 TRP HB2 . . 4.620 3.247 2.782 3.663 . 0 0 "[ . 1 . 2]" 1
929 1 39 LEU HB3 1 67 TRP HD1 . . 3.640 2.400 2.189 2.544 . 0 0 "[ . 1 . 2]" 1
930 1 39 LEU HB3 1 67 TRP HE1 . . 4.840 4.297 4.047 4.370 . 0 0 "[ . 1 . 2]" 1
931 1 39 LEU MD1 1 40 GLU H . . 5.200 4.182 4.090 4.245 . 0 0 "[ . 1 . 2]" 1
932 1 39 LEU MD1 1 40 GLU QG . . 4.670 4.612 4.489 4.666 . 0 0 "[ . 1 . 2]" 1
933 1 39 LEU MD1 1 63 LEU MD2 . . 4.670 3.749 3.503 4.031 . 0 0 "[ . 1 . 2]" 1
934 1 39 LEU MD1 1 67 TRP HD1 . . 3.980 4.003 3.938 4.037 0.057 12 0 "[ . 1 . 2]" 1
935 1 39 LEU MD1 1 67 TRP HE1 . . 3.890 3.672 3.495 3.796 . 0 0 "[ . 1 . 2]" 1
936 1 39 LEU MD1 1 67 TRP HZ2 . . 4.680 4.683 4.616 4.714 0.034 5 0 "[ . 1 . 2]" 1
937 1 39 LEU MD1 1 80 LEU HA . . 3.800 3.464 3.372 3.599 . 0 0 "[ . 1 . 2]" 1
938 1 39 LEU MD1 1 80 LEU MD1 . . 3.280 1.929 1.823 2.108 . 0 0 "[ . 1 . 2]" 1
939 1 39 LEU MD1 1 83 ALA H . . 5.070 4.813 4.628 4.926 . 0 0 "[ . 1 . 2]" 1
940 1 39 LEU MD1 1 83 ALA HA . . 4.920 4.880 4.676 4.965 0.045 3 0 "[ . 1 . 2]" 1
941 1 39 LEU MD1 1 83 ALA MB . . 2.770 2.505 2.359 2.560 . 0 0 "[ . 1 . 2]" 1
942 1 39 LEU MD2 1 40 GLU H . . 5.500 5.416 5.301 5.570 0.070 16 0 "[ . 1 . 2]" 1
943 1 39 LEU MD2 1 41 MET ME . . 3.750 3.382 3.207 3.758 0.008 5 0 "[ . 1 . 2]" 1
944 1 39 LEU MD2 1 41 MET HG2 . . 4.790 3.823 3.663 4.064 . 0 0 "[ . 1 . 2]" 1
945 1 39 LEU MD2 1 41 MET HG3 . . 4.580 3.656 3.571 3.800 . 0 0 "[ . 1 . 2]" 1
946 1 39 LEU MD2 1 63 LEU MD1 . . 3.240 2.415 2.171 2.717 . 0 0 "[ . 1 . 2]" 1
947 1 39 LEU MD2 1 63 LEU MD2 . . 3.300 2.115 1.913 2.405 . 0 0 "[ . 1 . 2]" 1
948 1 39 LEU MD2 1 63 LEU HG . . 3.970 2.517 2.255 2.840 . 0 0 "[ . 1 . 2]" 1
949 1 39 LEU MD2 1 64 LEU HA . . 4.250 3.591 3.203 4.017 . 0 0 "[ . 1 . 2]" 1
950 1 39 LEU MD2 1 67 TRP H . . 4.570 4.407 4.215 4.566 . 0 0 "[ . 1 . 2]" 1
951 1 39 LEU MD2 1 67 TRP HB2 . . 3.790 2.275 2.091 2.560 . 0 0 "[ . 1 . 2]" 1
952 1 39 LEU MD2 1 67 TRP HB3 . . 3.990 2.850 2.640 3.126 . 0 0 "[ . 1 . 2]" 1
953 1 39 LEU MD2 1 67 TRP HD1 . . 4.210 3.069 2.721 3.504 . 0 0 "[ . 1 . 2]" 1
954 1 39 LEU MD2 1 67 TRP HE1 . . 4.730 4.114 3.904 4.416 . 0 0 "[ . 1 . 2]" 1
955 1 39 LEU HG 1 40 GLU H . . 5.500 5.521 5.479 5.592 0.092 2 0 "[ . 1 . 2]" 1
956 1 39 LEU HG 1 67 TRP HE1 . . 5.500 2.771 2.581 3.005 . 0 0 "[ . 1 . 2]" 1
957 1 40 GLU H 1 40 GLU HA . . 2.860 2.176 2.170 2.185 . 0 0 "[ . 1 . 2]" 1
958 1 40 GLU H 1 40 GLU QB . . 3.720 3.325 2.913 3.479 . 0 0 "[ . 1 . 2]" 1
959 1 40 GLU H 1 40 GLU QG . . 3.970 2.785 2.561 3.268 . 0 0 "[ . 1 . 2]" 1
960 1 40 GLU H 1 41 MET H . . 3.480 2.731 2.490 3.004 . 0 0 "[ . 1 . 2]" 1
961 1 40 GLU H 1 41 MET HG3 . . 5.500 5.352 4.964 5.687 0.187 20 0 "[ . 1 . 2]" 1
962 1 40 GLU HA 1 40 GLU QG . . 3.590 2.789 2.420 3.332 . 0 0 "[ . 1 . 2]" 1
963 1 40 GLU HA 1 41 MET H . . 3.570 2.731 2.666 2.818 . 0 0 "[ . 1 . 2]" 1
964 1 40 GLU QB 1 40 GLU QG . . 2.420 2.102 2.053 2.134 . 0 0 "[ . 1 . 2]" 1
965 1 40 GLU QB 1 41 MET H . . 4.460 4.000 3.954 4.107 . 0 0 "[ . 1 . 2]" 1
966 1 40 GLU QG 1 41 MET H . . 4.680 4.444 4.014 4.649 . 0 0 "[ . 1 . 2]" 1
967 1 41 MET H 1 41 MET QB . . 3.360 2.375 2.179 2.497 . 0 0 "[ . 1 . 2]" 1
968 1 41 MET H 1 41 MET HG2 . . 3.700 2.426 2.176 2.829 . 0 0 "[ . 1 . 2]" 1
969 1 41 MET H 1 41 MET HG3 . . 3.730 3.648 3.384 3.761 0.031 20 0 "[ . 1 . 2]" 1
970 1 41 MET H 1 42 LYS H . . 5.010 4.461 4.392 4.593 . 0 0 "[ . 1 . 2]" 1
971 1 41 MET H 1 46 ILE MD . . 4.940 4.290 3.818 4.696 . 0 0 "[ . 1 . 2]" 1
972 1 41 MET H 1 63 LEU MD1 . . 5.270 4.994 4.661 5.252 . 0 0 "[ . 1 . 2]" 1
973 1 41 MET HA 1 41 MET ME . . 3.790 3.443 2.474 3.804 0.014 19 0 "[ . 1 . 2]" 1
974 1 41 MET HA 1 41 MET HG2 . . 3.950 3.018 2.442 3.324 . 0 0 "[ . 1 . 2]" 1
975 1 41 MET HA 1 41 MET HG3 . . 4.020 3.763 3.667 3.814 . 0 0 "[ . 1 . 2]" 1
976 1 41 MET HA 1 42 LYS H . . 3.070 2.759 2.595 2.850 . 0 0 "[ . 1 . 2]" 1
977 1 41 MET QB 1 41 MET ME . . 3.410 2.941 2.552 3.430 0.020 13 0 "[ . 1 . 2]" 1
978 1 41 MET QB 1 41 MET HG2 . . 2.700 2.414 2.341 2.536 . 0 0 "[ . 1 . 2]" 1
979 1 41 MET QB 1 41 MET HG3 . . 2.760 2.205 2.187 2.211 . 0 0 "[ . 1 . 2]" 1
980 1 41 MET QB 1 42 LYS H . . 4.090 1.995 1.929 2.248 . 0 0 "[ . 1 . 2]" 1
981 1 41 MET QB 1 42 LYS HA . . 4.610 4.075 4.006 4.141 . 0 0 "[ . 1 . 2]" 1
982 1 41 MET QB 1 45 GLU QB . . 3.920 2.858 2.577 3.677 . 0 0 "[ . 1 . 2]" 1
983 1 41 MET QB 1 63 LEU MD1 . . 3.870 3.423 3.245 3.594 . 0 0 "[ . 1 . 2]" 1
984 1 41 MET ME 1 41 MET HG2 . . 3.430 2.907 1.966 3.277 . 0 0 "[ . 1 . 2]" 1
985 1 41 MET ME 1 41 MET HG3 . . 3.860 2.310 1.987 3.128 . 0 0 "[ . 1 . 2]" 1
986 1 41 MET ME 1 42 LYS H . . 4.380 4.180 3.969 4.320 . 0 0 "[ . 1 . 2]" 1
987 1 41 MET ME 1 63 LEU HA . . 3.750 3.373 3.035 3.763 0.013 11 0 "[ . 1 . 2]" 1
988 1 41 MET ME 1 63 LEU MD1 . . 3.120 1.859 1.674 2.355 . 0 0 "[ . 1 . 2]" 1
989 1 41 MET ME 1 66 ALA H . . 4.670 4.334 4.080 4.628 . 0 0 "[ . 1 . 2]" 1
990 1 41 MET ME 1 66 ALA HA . . 4.540 4.272 4.030 4.548 0.008 19 0 "[ . 1 . 2]" 1
991 1 41 MET ME 1 66 ALA MB . . 2.820 2.199 1.996 2.457 . 0 0 "[ . 1 . 2]" 1
992 1 41 MET ME 1 67 TRP H . . 3.450 2.857 2.600 3.231 . 0 0 "[ . 1 . 2]" 1
993 1 41 MET ME 1 67 TRP HA . . 3.060 2.512 2.254 2.798 . 0 0 "[ . 1 . 2]" 1
994 1 41 MET ME 1 67 TRP HB2 . . 3.390 2.107 1.980 2.424 . 0 0 "[ . 1 . 2]" 1
995 1 41 MET ME 1 67 TRP HB3 . . 3.750 3.375 3.222 3.627 . 0 0 "[ . 1 . 2]" 1
996 1 41 MET ME 1 67 TRP HD1 . . 3.770 3.716 3.453 3.788 0.018 4 0 "[ . 1 . 2]" 1
997 1 41 MET HG2 1 42 LYS H . . 4.630 4.658 4.325 4.825 0.195 3 0 "[ . 1 . 2]" 1
998 1 41 MET HG2 1 63 LEU MD1 . . 3.310 3.156 2.809 3.441 0.131 7 0 "[ . 1 . 2]" 1
999 1 41 MET HG3 1 42 LYS H . . 4.690 4.511 4.406 4.704 0.014 13 0 "[ . 1 . 2]" 1
1000 1 41 MET HG3 1 63 LEU MD1 . . 3.690 2.072 1.924 2.244 . 0 0 "[ . 1 . 2]" 1
1001 1 42 LYS H 1 42 LYS HB2 . . 3.400 2.570 2.441 2.736 . 0 0 "[ . 1 . 2]" 1
1002 1 42 LYS H 1 42 LYS HB3 . . 3.880 3.701 3.637 3.764 . 0 0 "[ . 1 . 2]" 1
1003 1 42 LYS H 1 42 LYS HD2 . . 5.500 4.568 1.956 5.475 . 0 0 "[ . 1 . 2]" 1
1004 1 42 LYS H 1 42 LYS HD3 . . 4.670 4.544 2.002 5.249 0.579 18 3 "[ .* 1 . +-2]" 1
1005 1 42 LYS H 1 42 LYS QE . . 5.010 4.672 2.637 5.023 0.013 6 0 "[ . 1 . 2]" 1
1006 1 42 LYS H 1 42 LYS HG2 . . 3.570 3.049 2.100 4.089 0.519 3 2 "[ + . 1 . - 2]" 1
1007 1 42 LYS H 1 42 LYS HG3 . . 4.030 3.724 3.272 4.024 . 0 0 "[ . 1 . 2]" 1
1008 1 42 LYS H 1 45 GLU H . . 4.800 3.687 3.468 3.941 . 0 0 "[ . 1 . 2]" 1
1009 1 42 LYS H 1 45 GLU QB . . 3.720 2.191 1.893 2.690 . 0 0 "[ . 1 . 2]" 1
1010 1 42 LYS H 1 45 GLU HG2 . . 4.950 4.109 1.913 4.756 . 0 0 "[ . 1 . 2]" 1
1011 1 42 LYS H 1 45 GLU HG3 . . 4.720 3.708 3.146 4.659 . 0 0 "[ . 1 . 2]" 1
1012 1 42 LYS H 1 46 ILE H . . 5.500 3.905 3.410 4.311 . 0 0 "[ . 1 . 2]" 1
1013 1 42 LYS H 1 46 ILE MD . . 5.500 4.382 3.963 4.927 . 0 0 "[ . 1 . 2]" 1
1014 1 42 LYS HA 1 42 LYS HD2 . . 4.680 3.230 2.011 3.821 . 0 0 "[ . 1 . 2]" 1
1015 1 42 LYS HA 1 42 LYS HD3 . . 3.780 3.151 2.126 4.737 0.957 9 2 "[ - . +1 . 2]" 1
1016 1 42 LYS HA 1 42 LYS QE . . 4.930 3.757 3.317 4.810 . 0 0 "[ . 1 . 2]" 1
1017 1 42 LYS HA 1 42 LYS HG2 . . 4.220 2.827 2.604 3.575 . 0 0 "[ . 1 . 2]" 1
1018 1 42 LYS HA 1 42 LYS HG3 . . 3.800 3.536 2.399 3.877 0.077 20 0 "[ . 1 . 2]" 1
1019 1 42 LYS HA 1 43 ASP QB . . 4.950 4.354 4.101 4.693 . 0 0 "[ . 1 . 2]" 1
1020 1 42 LYS HA 1 45 GLU H . . 5.500 4.385 4.099 4.512 . 0 0 "[ . 1 . 2]" 1
1021 1 42 LYS HB2 1 43 ASP H . . 5.010 4.148 3.980 4.307 . 0 0 "[ . 1 . 2]" 1
1022 1 42 LYS HB2 1 45 GLU H . . 4.130 2.500 1.923 2.780 . 0 0 "[ . 1 . 2]" 1
1023 1 42 LYS HB2 1 45 GLU HG2 . . 4.660 3.475 3.075 4.592 . 0 0 "[ . 1 . 2]" 1
1024 1 42 LYS HB2 1 45 GLU HG3 . . 4.250 3.643 2.819 4.515 0.265 20 0 "[ . 1 . 2]" 1
1025 1 42 LYS HB3 1 42 LYS HD3 . . 3.370 3.132 2.450 3.930 0.560 3 2 "[ + . -1 . 2]" 1
1026 1 42 LYS HB3 1 42 LYS QE . . 4.330 3.372 1.981 4.265 . 0 0 "[ . 1 . 2]" 1
1027 1 42 LYS HB3 1 43 ASP H . . 4.990 3.158 2.986 3.293 . 0 0 "[ . 1 . 2]" 1
1028 1 42 LYS QE 1 42 LYS HG3 . . 3.440 2.430 2.069 3.003 . 0 0 "[ . 1 . 2]" 1
1029 1 42 LYS HG3 1 45 GLU HG3 . . 5.110 4.892 4.100 5.915 0.805 20 2 "[ - . 1 . +]" 1
1030 1 43 ASP HA 1 46 ILE H . . 4.000 3.623 3.377 3.956 . 0 0 "[ . 1 . 2]" 1
1031 1 43 ASP HA 1 46 ILE HB . . 3.400 3.020 2.721 3.291 . 0 0 "[ . 1 . 2]" 1
1032 1 43 ASP HA 1 46 ILE MD . . 3.270 2.336 2.056 2.602 . 0 0 "[ . 1 . 2]" 1
1033 1 43 ASP HA 1 46 ILE HG13 . . 4.160 3.683 3.264 4.160 . 0 0 "[ . 1 . 2]" 1
1034 1 43 ASP HA 1 47 ARG H . . 4.510 4.447 4.070 4.525 0.015 3 0 "[ . 1 . 2]" 1
1035 1 43 ASP QB 1 46 ILE MD . . 4.260 4.041 3.509 4.279 0.019 13 0 "[ . 1 . 2]" 1
1036 1 44 SER H 1 45 GLU H . . 5.400 2.772 2.227 2.977 . 0 0 "[ . 1 . 2]" 1
1037 1 44 SER HA 1 47 ARG H . . 4.350 3.435 3.202 3.665 . 0 0 "[ . 1 . 2]" 1
1038 1 44 SER HA 1 47 ARG QB . . 3.670 2.577 2.317 2.937 . 0 0 "[ . 1 . 2]" 1
1039 1 44 SER HA 1 47 ARG QD . . 4.370 3.733 2.160 4.371 0.001 13 0 "[ . 1 . 2]" 1
1040 1 44 SER HA 1 48 GLN H . . 5.100 4.083 3.745 4.267 . 0 0 "[ . 1 . 2]" 1
1041 1 44 SER HB2 1 45 GLU H . . 4.880 3.244 2.450 3.988 . 0 0 "[ . 1 . 2]" 1
1042 1 44 SER HB3 1 45 GLU H . . 4.420 3.691 2.362 4.183 . 0 0 "[ . 1 . 2]" 1
1043 1 44 SER HB3 1 47 ARG QB . . 4.730 4.634 4.171 5.202 0.472 15 0 "[ . 1 . 2]" 1
1044 1 45 GLU H 1 45 GLU QB . . 3.330 2.060 2.010 2.218 . 0 0 "[ . 1 . 2]" 1
1045 1 45 GLU H 1 45 GLU HG2 . . 4.210 3.390 2.964 4.199 . 0 0 "[ . 1 . 2]" 1
1046 1 45 GLU H 1 45 GLU HG3 . . 3.870 3.938 3.235 4.207 0.337 16 0 "[ . 1 . 2]" 1
1047 1 45 GLU H 1 46 ILE H . . 3.420 2.910 2.583 3.095 . 0 0 "[ . 1 . 2]" 1
1048 1 45 GLU H 1 46 ILE MD . . 5.500 5.171 4.813 5.429 . 0 0 "[ . 1 . 2]" 1
1049 1 45 GLU H 1 46 ILE HG13 . . 4.680 4.485 4.038 4.696 0.016 5 0 "[ . 1 . 2]" 1
1050 1 45 GLU H 1 47 ARG H . . 4.740 4.174 3.902 4.417 . 0 0 "[ . 1 . 2]" 1
1051 1 45 GLU H 1 48 GLN H . . 5.500 4.463 4.334 4.590 . 0 0 "[ . 1 . 2]" 1
1052 1 45 GLU HA 1 45 GLU HG2 . . 3.720 2.644 2.005 3.896 0.176 20 0 "[ . 1 . 2]" 1
1053 1 45 GLU HA 1 45 GLU HG3 . . 3.290 3.296 2.346 3.552 0.262 15 0 "[ . 1 . 2]" 1
1054 1 45 GLU HA 1 48 GLN H . . 3.710 3.135 2.937 3.324 . 0 0 "[ . 1 . 2]" 1
1055 1 45 GLU HA 1 48 GLN QB . . 3.220 2.201 1.937 2.438 . 0 0 "[ . 1 . 2]" 1
1056 1 45 GLU HA 1 48 GLN HG2 . . 4.830 3.406 2.859 3.949 . 0 0 "[ . 1 . 2]" 1
1057 1 45 GLU HA 1 48 GLN HG3 . . 4.710 3.468 2.451 4.781 0.071 20 0 "[ . 1 . 2]" 1
1058 1 45 GLU HA 1 49 ILE H . . 4.620 3.822 3.607 4.030 . 0 0 "[ . 1 . 2]" 1
1059 1 45 GLU HA 1 49 ILE MD . . 4.540 4.044 3.712 4.416 . 0 0 "[ . 1 . 2]" 1
1060 1 45 GLU QB 1 46 ILE H . . 3.920 2.567 2.394 3.397 . 0 0 "[ . 1 . 2]" 1
1061 1 45 GLU QB 1 49 ILE MD . . 3.410 2.862 2.578 3.335 . 0 0 "[ . 1 . 2]" 1
1062 1 45 GLU HG2 1 49 ILE MD . . 4.960 4.606 3.421 4.927 . 0 0 "[ . 1 . 2]" 1
1063 1 45 GLU HG3 1 49 ILE MD . . 4.780 4.215 2.351 4.791 0.011 17 0 "[ . 1 . 2]" 1
1064 1 46 ILE H 1 46 ILE HB . . 3.330 2.438 2.390 2.474 . 0 0 "[ . 1 . 2]" 1
1065 1 46 ILE H 1 46 ILE MD . . 3.620 3.315 3.174 3.532 . 0 0 "[ . 1 . 2]" 1
1066 1 46 ILE H 1 46 ILE HG12 . . 3.640 3.361 3.226 3.468 . 0 0 "[ . 1 . 2]" 1
1067 1 46 ILE H 1 46 ILE HG13 . . 3.350 1.975 1.946 2.080 . 0 0 "[ . 1 . 2]" 1
1068 1 46 ILE H 1 46 ILE MG . . 3.770 3.707 3.701 3.716 . 0 0 "[ . 1 . 2]" 1
1069 1 46 ILE H 1 47 ARG H . . 3.510 2.843 2.710 3.043 . 0 0 "[ . 1 . 2]" 1
1070 1 46 ILE HA 1 46 ILE MD . . 3.890 3.841 3.781 3.866 . 0 0 "[ . 1 . 2]" 1
1071 1 46 ILE HA 1 46 ILE HG12 . . 3.110 2.596 2.435 2.685 . 0 0 "[ . 1 . 2]" 1
1072 1 46 ILE HA 1 46 ILE HG13 . . 3.570 2.835 2.715 2.980 . 0 0 "[ . 1 . 2]" 1
1073 1 46 ILE HA 1 48 GLN H . . 5.500 4.454 4.135 4.897 . 0 0 "[ . 1 . 2]" 1
1074 1 46 ILE HA 1 49 ILE H . . 4.510 3.860 3.597 4.096 . 0 0 "[ . 1 . 2]" 1
1075 1 46 ILE HA 1 49 ILE HB . . 3.650 3.218 2.981 3.603 . 0 0 "[ . 1 . 2]" 1
1076 1 46 ILE HA 1 49 ILE MD . . 3.530 2.700 2.341 2.928 . 0 0 "[ . 1 . 2]" 1
1077 1 46 ILE HA 1 49 ILE HG13 . . 4.800 4.576 4.088 4.804 0.004 20 0 "[ . 1 . 2]" 1
1078 1 46 ILE HA 1 49 ILE MG . . 4.800 4.454 4.230 4.819 0.019 20 0 "[ . 1 . 2]" 1
1079 1 46 ILE HB 1 46 ILE MD . . 3.180 2.207 2.095 2.347 . 0 0 "[ . 1 . 2]" 1
1080 1 46 ILE HB 1 47 ARG H . . 3.490 2.709 2.521 2.884 . 0 0 "[ . 1 . 2]" 1
1081 1 46 ILE MD 1 46 ILE MG . . 2.890 2.169 1.976 2.354 . 0 0 "[ . 1 . 2]" 1
1082 1 46 ILE MD 1 47 ARG H . . 4.460 4.474 4.425 4.519 0.059 20 0 "[ . 1 . 2]" 1
1083 1 46 ILE HG12 1 46 ILE MG . . 3.730 2.320 2.178 2.511 . 0 0 "[ . 1 . 2]" 1
1084 1 46 ILE MG 1 47 ARG H . . 4.110 3.450 3.066 3.627 . 0 0 "[ . 1 . 2]" 1
1085 1 46 ILE MG 1 47 ARG HA . . 3.590 3.453 3.272 3.611 0.021 9 0 "[ . 1 . 2]" 1
1086 1 46 ILE MG 1 48 GLN H . . 5.500 5.047 4.868 5.381 . 0 0 "[ . 1 . 2]" 1
1087 1 46 ILE MG 1 50 GLU H . . 5.130 4.228 3.983 4.497 . 0 0 "[ . 1 . 2]" 1
1088 1 46 ILE MG 1 50 GLU HG3 . . 4.640 3.635 2.991 4.711 0.071 5 0 "[ . 1 . 2]" 1
1089 1 47 ARG H 1 47 ARG QB . . 3.060 2.182 2.046 2.326 . 0 0 "[ . 1 . 2]" 1
1090 1 47 ARG H 1 47 ARG QD . . 4.510 3.980 2.155 4.497 . 0 0 "[ . 1 . 2]" 1
1091 1 47 ARG H 1 47 ARG HG2 . . 3.730 3.549 3.075 4.154 0.424 2 0 "[ . 1 . 2]" 1
1092 1 47 ARG H 1 47 ARG HG3 . . 4.120 3.246 2.552 4.308 0.188 20 0 "[ . 1 . 2]" 1
1093 1 47 ARG H 1 48 GLN H . . 3.690 2.573 2.425 2.747 . 0 0 "[ . 1 . 2]" 1
1094 1 47 ARG H 1 48 GLN HA . . 5.070 5.088 4.971 5.219 0.149 18 0 "[ . 1 . 2]" 1
1095 1 47 ARG H 1 48 GLN QB . . 4.930 4.396 4.124 4.580 . 0 0 "[ . 1 . 2]" 1
1096 1 47 ARG H 1 49 ILE H . . 5.130 4.530 4.204 4.799 . 0 0 "[ . 1 . 2]" 1
1097 1 47 ARG HA 1 47 ARG QD . . 3.720 3.536 3.264 3.860 0.140 20 0 "[ . 1 . 2]" 1
1098 1 47 ARG HA 1 47 ARG HG2 . . 3.810 2.718 2.067 3.785 . 0 0 "[ . 1 . 2]" 1
1099 1 47 ARG HA 1 47 ARG HG3 . . 3.650 2.994 2.101 3.395 . 0 0 "[ . 1 . 2]" 1
1100 1 47 ARG HA 1 50 GLU HB2 . . 4.040 2.701 2.404 3.251 . 0 0 "[ . 1 . 2]" 1
1101 1 47 ARG QB 1 47 ARG QD . . 3.020 2.109 2.020 2.169 . 0 0 "[ . 1 . 2]" 1
1102 1 47 ARG QB 1 48 GLN H . . 3.470 2.737 2.436 2.998 . 0 0 "[ . 1 . 2]" 1
1103 1 47 ARG QD 1 48 GLN H . . 5.500 4.891 4.105 5.278 . 0 0 "[ . 1 . 2]" 1
1104 1 47 ARG HG2 1 48 GLN H . . 4.830 4.591 3.145 5.087 0.257 18 0 "[ . 1 . 2]" 1
1105 1 47 ARG HG3 1 48 GLN H . . 5.000 4.596 3.816 4.863 . 0 0 "[ . 1 . 2]" 1
1106 1 48 GLN H 1 48 GLN QB . . 3.130 2.263 1.998 2.482 . 0 0 "[ . 1 . 2]" 1
1107 1 48 GLN H 1 48 GLN HG2 . . 4.440 3.072 2.092 4.562 0.122 2 0 "[ . 1 . 2]" 1
1108 1 48 GLN H 1 48 GLN HG3 . . 4.180 3.761 3.083 4.262 0.082 20 0 "[ . 1 . 2]" 1
1109 1 48 GLN H 1 49 ILE H . . 3.560 2.916 2.701 3.163 . 0 0 "[ . 1 . 2]" 1
1110 1 48 GLN H 1 49 ILE MD . . 5.500 4.813 4.649 5.007 . 0 0 "[ . 1 . 2]" 1
1111 1 48 GLN HA 1 48 GLN HE21 . . 5.050 2.727 1.955 3.411 . 0 0 "[ . 1 . 2]" 1
1112 1 48 GLN HA 1 48 GLN HE22 . . 5.350 3.425 3.058 3.783 . 0 0 "[ . 1 . 2]" 1
1113 1 48 GLN HA 1 48 GLN HG2 . . 3.990 3.153 2.540 3.935 . 0 0 "[ . 1 . 2]" 1
1114 1 48 GLN HA 1 48 GLN HG3 . . 3.930 3.453 2.312 3.709 . 0 0 "[ . 1 . 2]" 1
1115 1 48 GLN HA 1 51 CYS HB2 . . 3.650 3.442 3.259 3.656 0.006 16 0 "[ . 1 . 2]" 1
1116 1 48 GLN HA 1 51 CYS HB3 . . 3.670 3.115 2.718 3.655 . 0 0 "[ . 1 . 2]" 1
1117 1 48 GLN QB 1 49 ILE H . . 3.650 2.344 2.181 2.643 . 0 0 "[ . 1 . 2]" 1
1118 1 48 GLN QB 1 49 ILE MD . . 4.680 3.994 3.805 4.262 . 0 0 "[ . 1 . 2]" 1
1119 1 48 GLN QB 1 49 ILE HG13 . . 3.990 3.270 3.046 3.637 . 0 0 "[ . 1 . 2]" 1
1120 1 48 GLN HE21 1 51 CYS HB3 . . 4.890 4.327 2.765 4.899 0.009 9 0 "[ . 1 . 2]" 1
1121 1 48 GLN HE22 1 51 CYS HB3 . . 5.170 4.393 3.113 5.179 0.009 20 0 "[ . 1 . 2]" 1
1122 1 48 GLN HG2 1 49 ILE H . . 4.870 4.367 3.891 4.673 . 0 0 "[ . 1 . 2]" 1
1123 1 48 GLN HG3 1 49 ILE H . . 4.440 4.248 2.646 4.881 0.441 16 0 "[ . 1 . 2]" 1
1124 1 49 ILE H 1 49 ILE HB . . 3.140 2.384 2.280 2.490 . 0 0 "[ . 1 . 2]" 1
1125 1 49 ILE H 1 49 ILE MD . . 3.460 3.047 2.870 3.236 . 0 0 "[ . 1 . 2]" 1
1126 1 49 ILE H 1 49 ILE HG13 . . 2.960 2.179 1.944 2.414 . 0 0 "[ . 1 . 2]" 1
1127 1 49 ILE H 1 49 ILE MG . . 3.660 3.700 3.671 3.716 0.056 20 0 "[ . 1 . 2]" 1
1128 1 49 ILE HA 1 49 ILE HG12 . . 3.120 2.772 2.649 2.894 . 0 0 "[ . 1 . 2]" 1
1129 1 49 ILE HA 1 49 ILE HG13 . . 3.190 2.541 2.470 2.654 . 0 0 "[ . 1 . 2]" 1
1130 1 49 ILE HA 1 49 ILE MG . . 3.340 2.471 2.380 2.556 . 0 0 "[ . 1 . 2]" 1
1131 1 49 ILE HA 1 51 CYS H . . 5.070 4.330 3.890 4.720 . 0 0 "[ . 1 . 2]" 1
1132 1 49 ILE HA 1 52 ASP H . . 5.090 3.274 3.138 3.481 . 0 0 "[ . 1 . 2]" 1
1133 1 49 ILE HA 1 52 ASP HB2 . . 3.840 2.095 1.988 2.405 . 0 0 "[ . 1 . 2]" 1
1134 1 49 ILE HA 1 52 ASP HB3 . . 4.270 3.068 2.683 3.541 . 0 0 "[ . 1 . 2]" 1
1135 1 49 ILE HB 1 49 ILE MD . . 3.040 2.042 1.950 2.140 . 0 0 "[ . 1 . 2]" 1
1136 1 49 ILE HB 1 50 GLU H . . 3.550 2.414 2.174 2.642 . 0 0 "[ . 1 . 2]" 1
1137 1 49 ILE HB 1 50 GLU HA . . 4.590 4.372 4.255 4.455 . 0 0 "[ . 1 . 2]" 1
1138 1 49 ILE HB 1 50 GLU HB2 . . 4.620 4.392 4.062 4.546 . 0 0 "[ . 1 . 2]" 1
1139 1 49 ILE HB 1 51 CYS H . . 5.050 4.954 4.711 5.076 0.026 13 0 "[ . 1 . 2]" 1
1140 1 49 ILE MD 1 49 ILE MG . . 2.870 2.416 2.271 2.610 . 0 0 "[ . 1 . 2]" 1
1141 1 49 ILE MD 1 59 ARG HA . . 4.690 4.657 4.470 4.719 0.029 17 0 "[ . 1 . 2]" 1
1142 1 49 ILE MD 1 63 LEU H . . 3.910 3.343 3.011 3.614 . 0 0 "[ . 1 . 2]" 1
1143 1 49 ILE MD 1 63 LEU HA . . 3.140 2.145 1.965 2.519 . 0 0 "[ . 1 . 2]" 1
1144 1 49 ILE MD 1 63 LEU HB2 . . 4.050 2.432 2.133 2.722 . 0 0 "[ . 1 . 2]" 1
1145 1 49 ILE MD 1 63 LEU HB3 . . 4.320 3.789 3.478 4.076 . 0 0 "[ . 1 . 2]" 1
1146 1 49 ILE MD 1 63 LEU MD1 . . 3.080 2.505 2.286 2.889 . 0 0 "[ . 1 . 2]" 1
1147 1 49 ILE MD 1 66 ALA H . . 5.060 4.546 4.242 4.908 . 0 0 "[ . 1 . 2]" 1
1148 1 49 ILE MD 1 66 ALA MB . . 3.580 3.094 2.868 3.401 . 0 0 "[ . 1 . 2]" 1
1149 1 49 ILE HG12 1 49 ILE MG . . 3.680 2.239 2.057 2.350 . 0 0 "[ . 1 . 2]" 1
1150 1 49 ILE HG12 1 62 GLN H . . 5.080 5.060 4.922 5.154 0.074 6 0 "[ . 1 . 2]" 1
1151 1 49 ILE HG12 1 62 GLN HA . . 4.790 4.520 4.360 4.645 . 0 0 "[ . 1 . 2]" 1
1152 1 49 ILE HG12 1 62 GLN HB2 . . 4.050 2.883 2.664 3.283 . 0 0 "[ . 1 . 2]" 1
1153 1 49 ILE HG12 1 62 GLN HB3 . . 3.780 2.010 1.951 2.080 . 0 0 "[ . 1 . 2]" 1
1154 1 49 ILE HG12 1 62 GLN HE21 . . 4.700 3.711 2.221 4.715 0.015 12 0 "[ . 1 . 2]" 1
1155 1 49 ILE HG12 1 62 GLN QG . . 4.170 3.862 3.653 3.966 . 0 0 "[ . 1 . 2]" 1
1156 1 49 ILE MG 1 50 GLU H . . 4.240 2.927 2.547 3.266 . 0 0 "[ . 1 . 2]" 1
1157 1 49 ILE MG 1 50 GLU HA . . 4.160 3.199 2.894 3.448 . 0 0 "[ . 1 . 2]" 1
1158 1 49 ILE MG 1 50 GLU HG3 . . 5.000 4.295 3.605 4.625 . 0 0 "[ . 1 . 2]" 1
1159 1 49 ILE MG 1 59 ARG H . . 4.980 3.996 3.888 4.137 . 0 0 "[ . 1 . 2]" 1
1160 1 49 ILE MG 1 59 ARG HA . . 3.270 1.907 1.840 2.021 . 0 0 "[ . 1 . 2]" 1
1161 1 49 ILE MG 1 59 ARG HB2 . . 4.040 3.596 3.390 3.803 . 0 0 "[ . 1 . 2]" 1
1162 1 49 ILE MG 1 59 ARG HB3 . . 3.750 2.293 2.038 2.593 . 0 0 "[ . 1 . 2]" 1
1163 1 49 ILE MG 1 59 ARG QD . . 4.460 3.594 3.341 3.913 . 0 0 "[ . 1 . 2]" 1
1164 1 49 ILE MG 1 59 ARG HG2 . . 4.100 2.380 2.075 2.751 . 0 0 "[ . 1 . 2]" 1
1165 1 49 ILE MG 1 59 ARG HG3 . . 3.980 3.529 3.178 3.963 . 0 0 "[ . 1 . 2]" 1
1166 1 49 ILE MG 1 62 GLN H . . 4.680 3.865 3.716 4.071 . 0 0 "[ . 1 . 2]" 1
1167 1 49 ILE MG 1 62 GLN HB2 . . 3.750 2.096 1.947 2.361 . 0 0 "[ . 1 . 2]" 1
1168 1 49 ILE MG 1 62 GLN HB3 . . 3.920 2.730 2.252 2.946 . 0 0 "[ . 1 . 2]" 1
1169 1 49 ILE MG 1 62 GLN QG . . 4.050 3.061 2.650 3.554 . 0 0 "[ . 1 . 2]" 1
1170 1 49 ILE MG 1 63 LEU H . . 4.210 3.069 2.847 3.322 . 0 0 "[ . 1 . 2]" 1
1171 1 49 ILE MG 1 63 LEU HA . . 4.650 4.055 3.858 4.354 . 0 0 "[ . 1 . 2]" 1
1172 1 49 ILE MG 1 63 LEU HB2 . . 4.160 3.281 3.037 3.724 . 0 0 "[ . 1 . 2]" 1
1173 1 50 GLU H 1 50 GLU HB2 . . 3.480 2.120 2.074 2.191 . 0 0 "[ . 1 . 2]" 1
1174 1 50 GLU H 1 50 GLU HB3 . . 3.490 3.413 3.341 3.476 . 0 0 "[ . 1 . 2]" 1
1175 1 50 GLU H 1 50 GLU HG2 . . 4.120 3.671 3.324 4.280 0.160 12 0 "[ . 1 . 2]" 1
1176 1 50 GLU H 1 50 GLU HG3 . . 3.820 3.191 2.938 3.625 . 0 0 "[ . 1 . 2]" 1
1177 1 50 GLU H 1 59 ARG QD . . 5.110 4.651 4.409 4.912 . 0 0 "[ . 1 . 2]" 1
1178 1 50 GLU HA 1 50 GLU HG2 . . 3.320 2.085 1.958 2.789 . 0 0 "[ . 1 . 2]" 1
1179 1 50 GLU HA 1 50 GLU HG3 . . 3.900 2.965 2.133 3.282 . 0 0 "[ . 1 . 2]" 1
1180 1 50 GLU HA 1 51 CYS HA . . 4.830 4.739 4.647 4.837 0.007 5 0 "[ . 1 . 2]" 1
1181 1 50 GLU HA 1 59 ARG QD . . 4.000 2.861 2.625 3.263 . 0 0 "[ . 1 . 2]" 1
1182 1 50 GLU HA 1 59 ARG HE . . 3.880 2.503 1.970 3.570 . 0 0 "[ . 1 . 2]" 1
1183 1 50 GLU HA 1 59 ARG HG3 . . 4.200 3.783 3.412 4.092 . 0 0 "[ . 1 . 2]" 1
1184 1 50 GLU HB2 1 51 CYS H . . 4.020 3.014 2.889 3.144 . 0 0 "[ . 1 . 2]" 1
1185 1 50 GLU HB2 1 51 CYS HA . . 4.920 4.963 4.898 5.068 0.148 18 0 "[ . 1 . 2]" 1
1186 1 50 GLU HB2 1 59 ARG QD . . 5.010 4.822 4.326 4.913 . 0 0 "[ . 1 . 2]" 1
1187 1 50 GLU HB3 1 51 CYS H . . 4.000 3.068 2.637 3.405 . 0 0 "[ . 1 . 2]" 1
1188 1 50 GLU HB3 1 51 CYS HA . . 3.980 3.921 3.749 4.092 0.112 6 0 "[ . 1 . 2]" 1
1189 1 50 GLU HB3 1 59 ARG QD . . 4.970 4.732 4.634 4.829 . 0 0 "[ . 1 . 2]" 1
1190 1 50 GLU HG2 1 59 ARG QD . . 4.580 2.415 2.122 3.126 . 0 0 "[ . 1 . 2]" 1
1191 1 50 GLU HG3 1 51 CYS H . . 5.010 5.040 4.909 5.146 0.136 10 0 "[ . 1 . 2]" 1
1192 1 50 GLU HG3 1 59 ARG QD . . 4.220 3.374 1.984 4.043 . 0 0 "[ . 1 . 2]" 1
1193 1 51 CYS H 1 51 CYS HB2 . . 3.260 2.337 2.193 2.549 . 0 0 "[ . 1 . 2]" 1
1194 1 51 CYS H 1 51 CYS HB3 . . 3.310 2.735 2.464 2.928 . 0 0 "[ . 1 . 2]" 1
1195 1 51 CYS H 1 52 ASP HB2 . . 5.040 4.267 3.994 4.575 . 0 0 "[ . 1 . 2]" 1
1196 1 51 CYS H 1 53 SER H . . 5.130 4.335 3.792 4.627 . 0 0 "[ . 1 . 2]" 1
1197 1 51 CYS HA 1 53 SER H . . 4.880 4.632 3.999 4.894 0.014 18 0 "[ . 1 . 2]" 1
1198 1 51 CYS HB3 1 52 ASP H . . 4.550 2.466 2.347 2.610 . 0 0 "[ . 1 . 2]" 1
1199 1 51 CYS HB3 1 53 SER H . . 5.300 5.235 4.849 5.326 0.026 19 0 "[ . 1 . 2]" 1
1200 1 52 ASP H 1 52 ASP HB2 . . 3.480 2.055 2.021 2.120 . 0 0 "[ . 1 . 2]" 1
1201 1 52 ASP H 1 52 ASP HB3 . . 3.670 3.244 3.100 3.414 . 0 0 "[ . 1 . 2]" 1
1202 1 52 ASP H 1 53 SER H . . 3.550 3.098 2.956 3.186 . 0 0 "[ . 1 . 2]" 1
1203 1 52 ASP HB2 1 53 SER H . . 4.150 2.988 2.695 3.309 . 0 0 "[ . 1 . 2]" 1
1204 1 52 ASP HB3 1 53 SER H . . 4.200 2.362 2.161 2.794 . 0 0 "[ . 1 . 2]" 1
1205 1 52 ASP HB3 1 62 GLN QG . . 4.420 3.239 3.011 4.068 . 0 0 "[ . 1 . 2]" 1
1206 1 53 SER H 1 53 SER HB2 . . 3.990 3.000 2.657 3.749 . 0 0 "[ . 1 . 2]" 1
1207 1 53 SER H 1 53 SER HB3 . . 3.860 3.628 2.777 3.849 . 0 0 "[ . 1 . 2]" 1
1208 1 53 SER H 1 54 GLU H . . 5.500 4.403 4.204 4.594 . 0 0 "[ . 1 . 2]" 1
1209 1 53 SER H 1 59 ARG HG2 . . 5.400 3.680 3.256 4.222 . 0 0 "[ . 1 . 2]" 1
1210 1 53 SER H 1 59 ARG HG3 . . 5.160 4.311 3.879 5.172 0.012 5 0 "[ . 1 . 2]" 1
1211 1 53 SER HA 1 55 ASP H . . 5.400 4.137 3.661 4.937 . 0 0 "[ . 1 . 2]" 1
1212 1 53 SER HB2 1 54 GLU H . . 4.970 3.626 1.941 4.405 . 0 0 "[ . 1 . 2]" 1
1213 1 53 SER HB2 1 55 ASP H . . 5.460 3.748 3.151 4.470 . 0 0 "[ . 1 . 2]" 1
1214 1 53 SER HB2 1 58 MET QB . . 3.980 2.062 1.821 2.534 . 0 0 "[ . 1 . 2]" 1
1215 1 53 SER HB2 1 58 MET ME . . 4.400 4.047 2.959 4.392 . 0 0 "[ . 1 . 2]" 1
1216 1 53 SER HB2 1 58 MET HG2 . . 5.340 4.798 4.145 5.317 . 0 0 "[ . 1 . 2]" 1
1217 1 53 SER HB2 1 58 MET HG3 . . 4.730 4.020 3.109 4.588 . 0 0 "[ . 1 . 2]" 1
1218 1 53 SER HB2 1 59 ARG H . . 4.250 3.347 2.842 4.472 0.222 18 0 "[ . 1 . 2]" 1
1219 1 53 SER HB2 1 59 ARG HG2 . . 4.540 3.755 3.065 4.909 0.369 18 0 "[ . 1 . 2]" 1
1220 1 53 SER HB2 1 59 ARG HG3 . . 4.640 3.110 2.448 4.210 . 0 0 "[ . 1 . 2]" 1
1221 1 53 SER HB3 1 54 GLU H . . 5.490 3.216 2.701 3.842 . 0 0 "[ . 1 . 2]" 1
1222 1 53 SER HB3 1 55 ASP H . . 5.060 3.468 2.340 5.428 0.368 19 0 "[ . 1 . 2]" 1
1223 1 53 SER HB3 1 58 MET H . . 5.500 4.853 4.334 5.509 0.009 19 0 "[ . 1 . 2]" 1
1224 1 53 SER HB3 1 58 MET QB . . 3.600 2.176 1.858 2.492 . 0 0 "[ . 1 . 2]" 1
1225 1 53 SER HB3 1 58 MET HG2 . . 4.730 4.465 3.904 5.340 0.610 19 1 "[ . 1 . +2]" 1
1226 1 53 SER HB3 1 58 MET HG3 . . 4.010 3.403 2.505 4.611 0.601 11 1 "[ . 1+ . 2]" 1
1227 1 54 GLU H 1 55 ASP H . . 4.440 2.407 1.918 2.975 . 0 0 "[ . 1 . 2]" 1
1228 1 54 GLU HA 1 54 GLU HG2 . . 4.050 2.939 2.079 3.985 . 0 0 "[ . 1 . 2]" 1
1229 1 54 GLU HA 1 54 GLU HG3 . . 4.010 2.816 2.009 3.793 . 0 0 "[ . 1 . 2]" 1
1230 1 55 ASP H 1 55 ASP HB2 . . 3.590 2.224 2.013 2.551 . 0 0 "[ . 1 . 2]" 1
1231 1 55 ASP H 1 55 ASP HB3 . . 3.590 3.333 2.841 3.560 . 0 0 "[ . 1 . 2]" 1
1232 1 55 ASP H 1 58 MET QB . . 4.570 3.255 2.624 3.705 . 0 0 "[ . 1 . 2]" 1
1233 1 55 ASP HA 1 57 LYS H . . 4.830 4.444 3.998 4.719 . 0 0 "[ . 1 . 2]" 1
1234 1 55 ASP HB2 1 57 LYS H . . 5.130 4.646 3.987 5.135 0.005 18 0 "[ . 1 . 2]" 1
1235 1 55 ASP HB2 1 58 MET H . . 4.090 3.330 2.715 3.961 . 0 0 "[ . 1 . 2]" 1
1236 1 55 ASP HB2 1 58 MET QB . . 3.620 2.703 1.992 3.704 0.084 11 0 "[ . 1 . 2]" 1
1237 1 55 ASP HB2 1 59 ARG H . . 5.370 4.518 3.894 5.512 0.142 11 0 "[ . 1 . 2]" 1
1238 1 55 ASP HB3 1 57 LYS H . . 4.890 3.095 2.276 3.713 . 0 0 "[ . 1 . 2]" 1
1239 1 55 ASP HB3 1 58 MET H . . 4.570 2.542 2.070 3.120 . 0 0 "[ . 1 . 2]" 1
1240 1 55 ASP HB3 1 58 MET QB . . 3.870 3.062 2.175 3.853 . 0 0 "[ . 1 . 2]" 1
1241 1 56 MET H 1 56 MET ME . . 4.930 3.980 2.713 4.942 0.012 10 0 "[ . 1 . 2]" 1
1242 1 56 MET H 1 56 MET HG2 . . 4.430 3.826 1.936 4.612 0.182 6 0 "[ . 1 . 2]" 1
1243 1 56 MET H 1 56 MET HG3 . . 4.780 3.877 3.257 4.432 . 0 0 "[ . 1 . 2]" 1
1244 1 56 MET H 1 57 LYS H . . 4.300 2.761 2.378 3.195 . 0 0 "[ . 1 . 2]" 1
1245 1 56 MET H 1 58 MET H . . 5.500 4.387 4.001 4.856 . 0 0 "[ . 1 . 2]" 1
1246 1 56 MET HA 1 56 MET ME . . 4.180 3.306 2.276 4.232 0.052 19 0 "[ . 1 . 2]" 1
1247 1 56 MET HA 1 56 MET HG2 . . 3.820 3.411 2.906 3.613 . 0 0 "[ . 1 . 2]" 1
1248 1 56 MET HA 1 59 ARG H . . 4.050 3.474 3.241 3.820 . 0 0 "[ . 1 . 2]" 1
1249 1 56 MET HA 1 59 ARG HB2 . . 3.860 2.582 2.258 2.903 . 0 0 "[ . 1 . 2]" 1
1250 1 56 MET HA 1 59 ARG HB3 . . 4.360 4.150 3.879 4.367 0.007 17 0 "[ . 1 . 2]" 1
1251 1 56 MET HA 1 59 ARG QD . . 3.720 2.245 1.990 2.436 . 0 0 "[ . 1 . 2]" 1
1252 1 56 MET HA 1 60 ALA H . . 4.450 3.924 3.363 4.232 . 0 0 "[ . 1 . 2]" 1
1253 1 56 MET HB2 1 57 LYS H . . 4.120 2.835 2.465 3.243 . 0 0 "[ . 1 . 2]" 1
1254 1 56 MET HB3 1 56 MET ME . . 4.060 4.014 3.798 4.245 0.185 17 0 "[ . 1 . 2]" 1
1255 1 56 MET HB3 1 57 LYS H . . 4.550 2.954 2.487 4.006 . 0 0 "[ . 1 . 2]" 1
1256 1 56 MET HB3 1 60 ALA H . . 5.220 4.825 4.410 5.236 0.016 4 0 "[ . 1 . 2]" 1
1257 1 56 MET ME 1 56 MET HG2 . . 3.100 2.740 2.044 3.178 0.078 18 0 "[ . 1 . 2]" 1
1258 1 56 MET ME 1 56 MET HG3 . . 3.170 2.284 1.959 2.942 . 0 0 "[ . 1 . 2]" 1
1259 1 56 MET ME 1 59 ARG QD . . 4.490 3.101 1.919 4.163 . 0 0 "[ . 1 . 2]" 1
1260 1 56 MET HG2 1 57 LYS H . . 4.930 4.798 4.194 5.070 0.140 5 0 "[ . 1 . 2]" 1
1261 1 56 MET HG3 1 57 LYS H . . 5.050 4.806 4.610 5.042 . 0 0 "[ . 1 . 2]" 1
1262 1 57 LYS H 1 57 LYS HB2 . . 3.240 2.370 2.266 2.595 . 0 0 "[ . 1 . 2]" 1
1263 1 57 LYS H 1 57 LYS HB3 . . 3.540 3.527 3.502 3.541 0.001 2 0 "[ . 1 . 2]" 1
1264 1 57 LYS H 1 57 LYS QD . . 4.370 3.943 3.759 4.261 . 0 0 "[ . 1 . 2]" 1
1265 1 57 LYS H 1 57 LYS QE . . 4.730 4.008 3.619 4.485 . 0 0 "[ . 1 . 2]" 1
1266 1 57 LYS H 1 57 LYS HG2 . . 4.300 3.384 2.209 3.636 . 0 0 "[ . 1 . 2]" 1
1267 1 57 LYS H 1 57 LYS HG3 . . 3.800 2.311 2.043 2.519 . 0 0 "[ . 1 . 2]" 1
1268 1 57 LYS H 1 58 MET H . . 3.310 2.962 2.648 3.070 . 0 0 "[ . 1 . 2]" 1
1269 1 57 LYS H 1 58 MET QB . . 4.670 4.647 4.555 4.738 0.068 4 0 "[ . 1 . 2]" 1
1270 1 57 LYS H 1 59 ARG H . . 4.560 4.487 4.292 4.563 0.003 3 0 "[ . 1 . 2]" 1
1271 1 57 LYS H 1 60 ALA H . . 5.110 4.807 4.634 5.006 . 0 0 "[ . 1 . 2]" 1
1272 1 57 LYS HA 1 57 LYS HG2 . . 3.610 2.355 2.156 2.447 . 0 0 "[ . 1 . 2]" 1
1273 1 57 LYS HA 1 57 LYS HG3 . . 3.830 2.912 2.728 3.641 . 0 0 "[ . 1 . 2]" 1
1274 1 57 LYS HA 1 60 ALA H . . 4.110 3.730 3.553 4.122 0.012 18 0 "[ . 1 . 2]" 1
1275 1 57 LYS HA 1 60 ALA MB . . 3.290 2.836 2.594 3.141 . 0 0 "[ . 1 . 2]" 1
1276 1 57 LYS HA 1 61 LYS H . . 4.780 4.084 3.692 4.414 . 0 0 "[ . 1 . 2]" 1
1277 1 57 LYS HB2 1 58 MET H . . 3.800 2.572 2.299 2.789 . 0 0 "[ . 1 . 2]" 1
1278 1 57 LYS HB2 1 58 MET HG2 . . 4.810 4.102 3.259 4.477 . 0 0 "[ . 1 . 2]" 1
1279 1 57 LYS HB2 1 58 MET HG3 . . 4.940 4.796 4.497 4.998 0.058 4 0 "[ . 1 . 2]" 1
1280 1 57 LYS HB3 1 58 MET H . . 4.100 3.368 2.985 3.681 . 0 0 "[ . 1 . 2]" 1
1281 1 57 LYS QD 1 58 MET H . . 4.870 4.713 4.448 4.970 0.100 4 0 "[ . 1 . 2]" 1
1282 1 57 LYS HG3 1 58 MET H . . 4.560 4.525 4.217 4.601 0.041 10 0 "[ . 1 . 2]" 1
1283 1 58 MET H 1 58 MET QB . . 3.320 2.202 2.077 2.453 . 0 0 "[ . 1 . 2]" 1
1284 1 58 MET H 1 58 MET ME . . 4.850 4.274 3.837 4.617 . 0 0 "[ . 1 . 2]" 1
1285 1 58 MET H 1 58 MET HG2 . . 3.780 2.750 1.947 3.121 . 0 0 "[ . 1 . 2]" 1
1286 1 58 MET H 1 58 MET HG3 . . 3.980 3.216 2.963 3.527 . 0 0 "[ . 1 . 2]" 1
1287 1 58 MET H 1 59 ARG H . . 3.500 2.910 2.615 3.111 . 0 0 "[ . 1 . 2]" 1
1288 1 58 MET H 1 59 ARG HB2 . . 5.470 4.926 4.652 5.180 . 0 0 "[ . 1 . 2]" 1
1289 1 58 MET H 1 59 ARG HG3 . . 5.500 4.584 4.105 4.994 . 0 0 "[ . 1 . 2]" 1
1290 1 58 MET H 1 60 ALA H . . 4.790 4.332 4.054 4.816 0.026 18 0 "[ . 1 . 2]" 1
1291 1 58 MET HA 1 58 MET ME . . 4.260 2.383 1.990 3.352 . 0 0 "[ . 1 . 2]" 1
1292 1 58 MET HA 1 58 MET HG2 . . 3.890 2.333 2.133 2.995 . 0 0 "[ . 1 . 2]" 1
1293 1 58 MET HA 1 58 MET HG3 . . 3.990 3.568 3.441 3.776 . 0 0 "[ . 1 . 2]" 1
1294 1 58 MET HA 1 59 ARG HA . . 4.930 4.835 4.789 4.881 . 0 0 "[ . 1 . 2]" 1
1295 1 58 MET HA 1 60 ALA H . . 5.280 4.523 4.292 5.233 . 0 0 "[ . 1 . 2]" 1
1296 1 58 MET HA 1 61 LYS H . . 3.780 3.441 3.202 3.791 0.011 18 0 "[ . 1 . 2]" 1
1297 1 58 MET HA 1 61 LYS HB2 . . 3.720 3.338 3.124 3.739 0.019 17 0 "[ . 1 . 2]" 1
1298 1 58 MET HA 1 61 LYS HB3 . . 3.490 2.727 2.385 3.001 . 0 0 "[ . 1 . 2]" 1
1299 1 58 MET HA 1 62 GLN H . . 4.510 3.732 3.450 4.013 . 0 0 "[ . 1 . 2]" 1
1300 1 58 MET QB 1 59 ARG H . . 3.820 2.361 2.194 2.501 . 0 0 "[ . 1 . 2]" 1
1301 1 58 MET QB 1 60 ALA H . . 5.200 4.635 4.477 4.952 . 0 0 "[ . 1 . 2]" 1
1302 1 58 MET ME 1 59 ARG H . . 5.070 4.683 4.299 5.012 . 0 0 "[ . 1 . 2]" 1
1303 1 58 MET ME 1 61 LYS QE . . 4.370 4.294 3.936 4.387 0.017 5 0 "[ . 1 . 2]" 1
1304 1 58 MET HG2 1 59 ARG H . . 5.020 4.647 4.234 4.770 . 0 0 "[ . 1 . 2]" 1
1305 1 58 MET HG3 1 59 ARG H . . 4.800 4.705 4.593 4.809 0.009 20 0 "[ . 1 . 2]" 1
1306 1 59 ARG H 1 59 ARG HB2 . . 3.690 2.511 2.435 2.638 . 0 0 "[ . 1 . 2]" 1
1307 1 59 ARG H 1 59 ARG HB3 . . 4.080 3.558 3.549 3.570 . 0 0 "[ . 1 . 2]" 1
1308 1 59 ARG H 1 59 ARG QD . . 4.520 3.544 2.998 3.820 . 0 0 "[ . 1 . 2]" 1
1309 1 59 ARG H 1 59 ARG HE . . 5.400 4.678 4.142 5.424 0.024 11 0 "[ . 1 . 2]" 1
1310 1 59 ARG H 1 59 ARG HG2 . . 3.490 3.362 2.986 3.524 0.034 4 0 "[ . 1 . 2]" 1
1311 1 59 ARG H 1 59 ARG HG3 . . 3.900 2.055 1.936 2.216 . 0 0 "[ . 1 . 2]" 1
1312 1 59 ARG H 1 60 ALA H . . 3.330 2.952 2.819 3.127 . 0 0 "[ . 1 . 2]" 1
1313 1 59 ARG H 1 62 GLN H . . 5.500 4.751 4.383 4.924 . 0 0 "[ . 1 . 2]" 1
1314 1 59 ARG HA 1 59 ARG QD . . 4.800 4.063 3.974 4.208 . 0 0 "[ . 1 . 2]" 1
1315 1 59 ARG HA 1 59 ARG HE . . 5.130 4.818 4.387 5.192 0.062 11 0 "[ . 1 . 2]" 1
1316 1 59 ARG HA 1 59 ARG HG2 . . 3.920 2.568 2.459 2.870 . 0 0 "[ . 1 . 2]" 1
1317 1 59 ARG HA 1 59 ARG HG3 . . 3.640 2.852 2.673 3.107 . 0 0 "[ . 1 . 2]" 1
1318 1 59 ARG HA 1 61 LYS H . . 5.160 4.741 4.191 5.029 . 0 0 "[ . 1 . 2]" 1
1319 1 59 ARG HA 1 62 GLN H . . 4.200 3.711 3.149 3.989 . 0 0 "[ . 1 . 2]" 1
1320 1 59 ARG HA 1 62 GLN HB2 . . 3.910 2.636 2.080 2.766 . 0 0 "[ . 1 . 2]" 1
1321 1 59 ARG HA 1 62 GLN HB3 . . 4.280 4.169 3.530 4.313 0.033 5 0 "[ . 1 . 2]" 1
1322 1 59 ARG HA 1 62 GLN QG . . 4.970 3.448 3.134 4.135 . 0 0 "[ . 1 . 2]" 1
1323 1 59 ARG HA 1 63 LEU H . . 4.710 4.192 4.004 4.404 . 0 0 "[ . 1 . 2]" 1
1324 1 59 ARG HB2 1 59 ARG HE . . 5.410 4.293 2.308 4.802 . 0 0 "[ . 1 . 2]" 1
1325 1 59 ARG HB2 1 60 ALA H . . 3.690 2.470 2.032 2.668 . 0 0 "[ . 1 . 2]" 1
1326 1 59 ARG HB3 1 59 ARG HE . . 5.500 4.176 2.072 4.609 . 0 0 "[ . 1 . 2]" 1
1327 1 59 ARG HB3 1 60 ALA H . . 4.080 3.477 3.114 3.623 . 0 0 "[ . 1 . 2]" 1
1328 1 59 ARG QD 1 60 ALA H . . 5.330 4.521 4.119 4.659 . 0 0 "[ . 1 . 2]" 1
1329 1 59 ARG HG3 1 60 ALA H . . 4.610 4.344 4.146 4.530 . 0 0 "[ . 1 . 2]" 1
1330 1 60 ALA H 1 60 ALA MB . . 3.060 2.058 1.935 2.163 . 0 0 "[ . 1 . 2]" 1
1331 1 60 ALA H 1 61 LYS H . . 3.720 2.815 2.642 3.000 . 0 0 "[ . 1 . 2]" 1
1332 1 60 ALA H 1 61 LYS HB3 . . 5.210 5.045 4.758 5.233 0.023 17 0 "[ . 1 . 2]" 1
1333 1 60 ALA H 1 62 GLN H . . 5.040 4.420 4.262 4.584 . 0 0 "[ . 1 . 2]" 1
1334 1 60 ALA HA 1 63 LEU H . . 4.320 3.530 3.317 3.688 . 0 0 "[ . 1 . 2]" 1
1335 1 60 ALA HA 1 63 LEU HB3 . . 3.890 2.706 2.487 2.954 . 0 0 "[ . 1 . 2]" 1
1336 1 60 ALA HA 1 63 LEU MD2 . . 3.910 3.163 2.931 3.492 . 0 0 "[ . 1 . 2]" 1
1337 1 60 ALA MB 1 61 LYS H . . 3.420 2.430 2.200 2.734 . 0 0 "[ . 1 . 2]" 1
1338 1 60 ALA MB 1 63 LEU HB3 . . 4.630 4.109 3.937 4.326 . 0 0 "[ . 1 . 2]" 1
1339 1 61 LYS H 1 61 LYS HB2 . . 3.110 2.309 2.190 2.502 . 0 0 "[ . 1 . 2]" 1
1340 1 61 LYS H 1 61 LYS HB3 . . 3.430 2.634 2.429 2.772 . 0 0 "[ . 1 . 2]" 1
1341 1 61 LYS H 1 61 LYS HG3 . . 4.650 4.333 4.188 4.483 . 0 0 "[ . 1 . 2]" 1
1342 1 61 LYS H 1 62 GLN H . . 3.580 2.944 2.607 3.129 . 0 0 "[ . 1 . 2]" 1
1343 1 61 LYS H 1 62 GLN QG . . 5.500 4.907 4.741 5.081 . 0 0 "[ . 1 . 2]" 1
1344 1 61 LYS H 1 63 LEU H . . 4.990 4.209 3.956 4.607 . 0 0 "[ . 1 . 2]" 1
1345 1 61 LYS H 1 64 LEU MD2 . . 5.030 3.638 3.370 4.061 . 0 0 "[ . 1 . 2]" 1
1346 1 61 LYS HA 1 61 LYS HD2 . . 4.800 4.560 4.483 4.622 . 0 0 "[ . 1 . 2]" 1
1347 1 61 LYS HA 1 61 LYS HD3 . . 4.830 4.456 4.274 4.665 . 0 0 "[ . 1 . 2]" 1
1348 1 61 LYS HA 1 61 LYS QE . . 4.900 4.547 4.470 4.682 . 0 0 "[ . 1 . 2]" 1
1349 1 61 LYS HA 1 61 LYS HG2 . . 3.910 2.553 2.400 2.831 . 0 0 "[ . 1 . 2]" 1
1350 1 61 LYS HA 1 61 LYS HG3 . . 3.610 2.788 2.598 3.033 . 0 0 "[ . 1 . 2]" 1
1351 1 61 LYS HA 1 64 LEU H . . 4.250 3.414 3.159 3.751 . 0 0 "[ . 1 . 2]" 1
1352 1 61 LYS HA 1 64 LEU HB2 . . 4.000 2.547 2.363 2.833 . 0 0 "[ . 1 . 2]" 1
1353 1 61 LYS HA 1 64 LEU MD2 . . 3.780 2.277 1.960 2.579 . 0 0 "[ . 1 . 2]" 1
1354 1 61 LYS HA 1 65 VAL H . . 4.960 4.017 3.798 4.160 . 0 0 "[ . 1 . 2]" 1
1355 1 61 LYS HB2 1 62 GLN H . . 3.920 3.705 3.546 3.852 . 0 0 "[ . 1 . 2]" 1
1356 1 61 LYS HB2 1 64 LEU MD2 . . 5.010 4.067 3.810 4.297 . 0 0 "[ . 1 . 2]" 1
1357 1 61 LYS HB3 1 61 LYS HD2 . . 3.960 2.601 2.279 2.797 . 0 0 "[ . 1 . 2]" 1
1358 1 61 LYS HB3 1 61 LYS HD3 . . 3.950 2.453 2.313 2.645 . 0 0 "[ . 1 . 2]" 1
1359 1 61 LYS HB3 1 61 LYS QE . . 4.430 3.979 3.907 4.022 . 0 0 "[ . 1 . 2]" 1
1360 1 61 LYS HB3 1 62 GLN H . . 3.700 2.361 2.214 2.538 . 0 0 "[ . 1 . 2]" 1
1361 1 61 LYS HD3 1 62 GLN QG . . 4.630 3.873 3.359 4.306 . 0 0 "[ . 1 . 2]" 1
1362 1 61 LYS HD3 1 65 VAL MG2 . . 3.880 3.224 2.484 3.692 . 0 0 "[ . 1 . 2]" 1
1363 1 61 LYS QE 1 61 LYS HG2 . . 3.560 2.463 2.310 2.692 . 0 0 "[ . 1 . 2]" 1
1364 1 61 LYS QE 1 61 LYS HG3 . . 3.580 2.355 2.144 2.486 . 0 0 "[ . 1 . 2]" 1
1365 1 61 LYS QE 1 65 VAL MG2 . . 3.560 2.920 2.476 3.559 . 0 0 "[ . 1 . 2]" 1
1366 1 61 LYS HG2 1 62 GLN H . . 4.860 3.912 3.452 4.102 . 0 0 "[ . 1 . 2]" 1
1367 1 61 LYS HG2 1 62 GLN HA . . 4.670 4.103 3.536 4.342 . 0 0 "[ . 1 . 2]" 1
1368 1 61 LYS HG2 1 65 VAL MG2 . . 3.460 2.375 2.050 2.562 . 0 0 "[ . 1 . 2]" 1
1369 1 61 LYS HG3 1 62 GLN H . . 4.990 4.881 4.650 4.996 0.006 3 0 "[ . 1 . 2]" 1
1370 1 61 LYS HG3 1 65 VAL MG2 . . 3.930 3.707 3.169 3.929 . 0 0 "[ . 1 . 2]" 1
1371 1 62 GLN H 1 62 GLN HB2 . . 3.320 2.339 2.124 2.444 . 0 0 "[ . 1 . 2]" 1
1372 1 62 GLN H 1 62 GLN HB3 . . 3.630 3.531 3.428 3.561 . 0 0 "[ . 1 . 2]" 1
1373 1 62 GLN H 1 62 GLN QG . . 3.930 2.425 2.245 2.852 . 0 0 "[ . 1 . 2]" 1
1374 1 62 GLN H 1 63 LEU H . . 3.660 2.952 2.814 3.132 . 0 0 "[ . 1 . 2]" 1
1375 1 62 GLN H 1 64 LEU H . . 5.270 4.609 4.212 4.840 . 0 0 "[ . 1 . 2]" 1
1376 1 62 GLN H 1 65 VAL H . . 5.500 4.701 4.585 4.889 . 0 0 "[ . 1 . 2]" 1
1377 1 62 GLN H 1 65 VAL MG2 . . 4.590 3.793 3.478 4.095 . 0 0 "[ . 1 . 2]" 1
1378 1 62 GLN HA 1 62 GLN QG . . 3.700 2.430 2.217 2.644 . 0 0 "[ . 1 . 2]" 1
1379 1 62 GLN HA 1 64 LEU H . . 5.070 4.870 4.448 5.090 0.020 18 0 "[ . 1 . 2]" 1
1380 1 62 GLN HA 1 65 VAL H . . 3.840 3.503 3.331 3.646 . 0 0 "[ . 1 . 2]" 1
1381 1 62 GLN HA 1 65 VAL HB . . 3.040 2.745 2.489 2.997 . 0 0 "[ . 1 . 2]" 1
1382 1 62 GLN HA 1 65 VAL MG1 . . 4.110 3.964 3.800 4.117 0.007 12 0 "[ . 1 . 2]" 1
1383 1 62 GLN HA 1 65 VAL MG2 . . 3.560 2.315 1.983 2.615 . 0 0 "[ . 1 . 2]" 1
1384 1 62 GLN HB2 1 63 LEU H . . 3.870 2.738 2.439 3.059 . 0 0 "[ . 1 . 2]" 1
1385 1 62 GLN HB3 1 62 GLN HE21 . . 4.750 2.666 2.060 3.434 . 0 0 "[ . 1 . 2]" 1
1386 1 62 GLN HB3 1 62 GLN HE22 . . 5.230 3.648 3.270 4.138 . 0 0 "[ . 1 . 2]" 1
1387 1 62 GLN HB3 1 63 LEU H . . 3.910 3.418 3.108 3.585 . 0 0 "[ . 1 . 2]" 1
1388 1 62 GLN HB3 1 63 LEU HA . . 4.420 4.146 4.007 4.255 . 0 0 "[ . 1 . 2]" 1
1389 1 62 GLN QG 1 65 VAL MG2 . . 4.260 3.905 3.582 4.141 . 0 0 "[ . 1 . 2]" 1
1390 1 63 LEU H 1 63 LEU HB2 . . 3.470 2.621 2.491 2.709 . 0 0 "[ . 1 . 2]" 1
1391 1 63 LEU H 1 63 LEU HB3 . . 3.380 2.272 2.201 2.390 . 0 0 "[ . 1 . 2]" 1
1392 1 63 LEU H 1 63 LEU MD1 . . 4.160 4.122 4.006 4.180 0.020 20 0 "[ . 1 . 2]" 1
1393 1 63 LEU H 1 63 LEU MD2 . . 4.300 4.131 4.079 4.195 . 0 0 "[ . 1 . 2]" 1
1394 1 63 LEU H 1 63 LEU HG . . 4.320 4.297 4.227 4.392 0.072 6 0 "[ . 1 . 2]" 1
1395 1 63 LEU H 1 64 LEU H . . 3.640 2.837 2.564 3.153 . 0 0 "[ . 1 . 2]" 1
1396 1 63 LEU H 1 64 LEU HB2 . . 5.060 4.679 4.509 4.941 . 0 0 "[ . 1 . 2]" 1
1397 1 63 LEU H 1 64 LEU MD1 . . 4.780 4.319 4.053 4.591 . 0 0 "[ . 1 . 2]" 1
1398 1 63 LEU H 1 64 LEU MD2 . . 4.480 4.343 4.010 4.497 0.017 17 0 "[ . 1 . 2]" 1
1399 1 63 LEU H 1 65 VAL H . . 5.040 4.020 3.917 4.136 . 0 0 "[ . 1 . 2]" 1
1400 1 63 LEU HA 1 63 LEU MD1 . . 2.900 2.175 1.976 2.362 . 0 0 "[ . 1 . 2]" 1
1401 1 63 LEU HA 1 65 VAL H . . 5.500 4.281 4.139 4.486 . 0 0 "[ . 1 . 2]" 1
1402 1 63 LEU HA 1 66 ALA H . . 4.690 3.429 3.256 3.632 . 0 0 "[ . 1 . 2]" 1
1403 1 63 LEU HA 1 66 ALA MB . . 3.500 2.750 2.553 2.917 . 0 0 "[ . 1 . 2]" 1
1404 1 63 LEU HA 1 67 TRP H . . 5.180 3.680 3.516 3.924 . 0 0 "[ . 1 . 2]" 1
1405 1 63 LEU HB2 1 63 LEU MD1 . . 3.110 2.313 2.217 2.427 . 0 0 "[ . 1 . 2]" 1
1406 1 63 LEU HB2 1 63 LEU MD2 . . 3.250 2.485 2.330 2.589 . 0 0 "[ . 1 . 2]" 1
1407 1 63 LEU HB2 1 64 LEU H . . 4.100 3.906 3.773 4.101 0.001 19 0 "[ . 1 . 2]" 1
1408 1 63 LEU HB3 1 63 LEU MD1 . . 3.610 3.201 3.189 3.209 . 0 0 "[ . 1 . 2]" 1
1409 1 63 LEU HB3 1 63 LEU MD2 . . 3.370 2.241 2.142 2.369 . 0 0 "[ . 1 . 2]" 1
1410 1 63 LEU HB3 1 64 LEU H . . 3.760 2.496 2.294 2.809 . 0 0 "[ . 1 . 2]" 1
1411 1 63 LEU HB3 1 64 LEU MD1 . . 4.440 2.952 2.838 3.059 . 0 0 "[ . 1 . 2]" 1
1412 1 63 LEU HB3 1 64 LEU MD2 . . 4.520 3.808 3.418 4.153 . 0 0 "[ . 1 . 2]" 1
1413 1 63 LEU HB3 1 65 VAL H . . 5.300 4.909 4.737 5.158 . 0 0 "[ . 1 . 2]" 1
1414 1 63 LEU MD1 1 64 LEU HA . . 4.500 4.408 4.130 4.502 0.002 1 0 "[ . 1 . 2]" 1
1415 1 63 LEU MD1 1 66 ALA MB . . 4.410 3.263 3.110 3.475 . 0 0 "[ . 1 . 2]" 1
1416 1 63 LEU MD1 1 67 TRP H . . 4.620 3.660 3.381 3.954 . 0 0 "[ . 1 . 2]" 1
1417 1 63 LEU MD1 1 67 TRP HB2 . . 4.400 2.599 2.309 2.889 . 0 0 "[ . 1 . 2]" 1
1418 1 63 LEU MD1 1 67 TRP HB3 . . 4.270 3.624 3.308 3.854 . 0 0 "[ . 1 . 2]" 1
1419 1 63 LEU MD2 1 64 LEU H . . 4.640 3.829 3.502 4.213 . 0 0 "[ . 1 . 2]" 1
1420 1 63 LEU MD2 1 64 LEU HA . . 4.850 4.509 4.271 4.804 . 0 0 "[ . 1 . 2]" 1
1421 1 63 LEU MD2 1 64 LEU MD1 . . 3.140 2.786 2.598 3.080 . 0 0 "[ . 1 . 2]" 1
1422 1 63 LEU HG 1 64 LEU H . . 3.710 3.195 2.858 3.563 . 0 0 "[ . 1 . 2]" 1
1423 1 63 LEU HG 1 64 LEU MD1 . . 3.790 2.468 2.192 2.610 . 0 0 "[ . 1 . 2]" 1
1424 1 64 LEU H 1 64 LEU HB2 . . 3.570 2.309 2.210 2.432 . 0 0 "[ . 1 . 2]" 1
1425 1 64 LEU H 1 64 LEU MD1 . . 3.800 2.099 1.936 2.358 . 0 0 "[ . 1 . 2]" 1
1426 1 64 LEU H 1 64 LEU MD2 . . 3.510 2.601 2.239 2.868 . 0 0 "[ . 1 . 2]" 1
1427 1 64 LEU H 1 65 VAL H . . 3.750 2.850 2.617 2.976 . 0 0 "[ . 1 . 2]" 1
1428 1 64 LEU H 1 65 VAL MG2 . . 4.600 4.093 3.781 4.279 . 0 0 "[ . 1 . 2]" 1
1429 1 64 LEU H 1 66 ALA H . . 5.210 4.615 4.435 4.761 . 0 0 "[ . 1 . 2]" 1
1430 1 64 LEU HA 1 64 LEU MD1 . . 2.960 1.858 1.844 1.876 . 0 0 "[ . 1 . 2]" 1
1431 1 64 LEU HA 1 64 LEU MD2 . . 3.780 3.685 3.577 3.734 . 0 0 "[ . 1 . 2]" 1
1432 1 64 LEU HA 1 65 VAL HA . . 4.860 4.784 4.756 4.824 . 0 0 "[ . 1 . 2]" 1
1433 1 64 LEU HA 1 67 TRP H . . 3.580 3.483 3.408 3.587 0.007 18 0 "[ . 1 . 2]" 1
1434 1 64 LEU HA 1 67 TRP HB2 . . 3.930 3.734 3.643 3.815 . 0 0 "[ . 1 . 2]" 1
1435 1 64 LEU HA 1 67 TRP HB3 . . 3.560 2.257 2.184 2.351 . 0 0 "[ . 1 . 2]" 1
1436 1 64 LEU HA 1 67 TRP HE3 . . 3.940 2.404 2.164 2.779 . 0 0 "[ . 1 . 2]" 1
1437 1 64 LEU HA 1 68 GLN H . . 4.960 3.977 3.766 4.199 . 0 0 "[ . 1 . 2]" 1
1438 1 64 LEU HB2 1 64 LEU MD1 . . 3.630 2.946 2.860 3.072 . 0 0 "[ . 1 . 2]" 1
1439 1 64 LEU HB2 1 64 LEU MD2 . . 3.240 2.109 1.983 2.156 . 0 0 "[ . 1 . 2]" 1
1440 1 64 LEU HB2 1 65 VAL H . . 4.040 2.807 2.728 2.873 . 0 0 "[ . 1 . 2]" 1
1441 1 64 LEU HB3 1 64 LEU MD2 . . 3.570 2.884 2.799 3.023 . 0 0 "[ . 1 . 2]" 1
1442 1 64 LEU HB3 1 65 VAL H . . 4.160 3.552 3.396 3.705 . 0 0 "[ . 1 . 2]" 1
1443 1 64 LEU HB3 1 67 TRP HE3 . . 4.810 3.457 3.235 3.789 . 0 0 "[ . 1 . 2]" 1
1444 1 64 LEU MD1 1 65 VAL H . . 4.740 4.245 4.226 4.317 . 0 0 "[ . 1 . 2]" 1
1445 1 64 LEU MD1 1 67 TRP H . . 4.640 4.494 4.436 4.603 . 0 0 "[ . 1 . 2]" 1
1446 1 64 LEU MD1 1 67 TRP HB2 . . 4.050 4.043 3.990 4.084 0.034 12 0 "[ . 1 . 2]" 1
1447 1 64 LEU MD1 1 67 TRP HB3 . . 3.820 3.213 3.134 3.352 . 0 0 "[ . 1 . 2]" 1
1448 1 64 LEU MD1 1 67 TRP HE3 . . 3.850 3.058 2.848 3.359 . 0 0 "[ . 1 . 2]" 1
1449 1 64 LEU MD1 1 67 TRP HZ3 . . 4.490 4.053 3.769 4.481 . 0 0 "[ . 1 . 2]" 1
1450 1 64 LEU MD1 1 80 LEU MD1 . . 3.910 2.995 2.705 3.580 . 0 0 "[ . 1 . 2]" 1
1451 1 64 LEU MD1 1 80 LEU MD2 . . 3.430 2.517 2.270 2.921 . 0 0 "[ . 1 . 2]" 1
1452 1 64 LEU MD2 1 65 VAL H . . 4.350 4.279 3.982 4.386 0.036 19 0 "[ . 1 . 2]" 1
1453 1 65 VAL H 1 65 VAL HB . . 3.080 2.508 2.357 2.625 . 0 0 "[ . 1 . 2]" 1
1454 1 65 VAL H 1 65 VAL MG1 . . 3.710 3.698 3.685 3.707 . 0 0 "[ . 1 . 2]" 1
1455 1 65 VAL H 1 65 VAL MG2 . . 2.970 2.010 1.883 2.253 . 0 0 "[ . 1 . 2]" 1
1456 1 65 VAL H 1 66 ALA H . . 3.540 2.840 2.773 2.909 . 0 0 "[ . 1 . 2]" 1
1457 1 65 VAL H 1 66 ALA MB . . 4.370 4.339 4.253 4.401 0.031 19 0 "[ . 1 . 2]" 1
1458 1 65 VAL H 1 67 TRP H . . 4.990 3.878 3.652 4.130 . 0 0 "[ . 1 . 2]" 1
1459 1 65 VAL HA 1 65 VAL MG1 . . 3.080 2.265 2.168 2.387 . 0 0 "[ . 1 . 2]" 1
1460 1 65 VAL HA 1 65 VAL MG2 . . 2.900 2.437 2.334 2.501 . 0 0 "[ . 1 . 2]" 1
1461 1 65 VAL HA 1 68 GLN H . . 4.130 3.206 3.053 3.384 . 0 0 "[ . 1 . 2]" 1
1462 1 65 VAL HA 1 68 GLN HB2 . . 3.980 3.335 3.200 3.533 . 0 0 "[ . 1 . 2]" 1
1463 1 65 VAL HA 1 68 GLN HB3 . . 3.530 2.354 2.252 2.490 . 0 0 "[ . 1 . 2]" 1
1464 1 65 VAL HA 1 68 GLN HG2 . . 4.650 4.571 4.074 4.670 0.020 12 0 "[ . 1 . 2]" 1
1465 1 65 VAL HB 1 66 ALA H . . 3.610 2.261 2.164 2.382 . 0 0 "[ . 1 . 2]" 1
1466 1 65 VAL HB 1 66 ALA MB . . 4.530 3.681 3.606 3.798 . 0 0 "[ . 1 . 2]" 1
1467 1 65 VAL MG1 1 66 ALA H . . 3.830 3.331 3.121 3.536 . 0 0 "[ . 1 . 2]" 1
1468 1 65 VAL MG1 1 66 ALA HA . . 4.050 3.685 3.483 3.874 . 0 0 "[ . 1 . 2]" 1
1469 1 65 VAL MG1 1 68 GLN HB2 . . 4.820 4.831 4.791 4.874 0.054 12 0 "[ . 1 . 2]" 1
1470 1 65 VAL MG1 1 68 GLN HB3 . . 4.390 3.479 3.437 3.574 . 0 0 "[ . 1 . 2]" 1
1471 1 65 VAL MG1 1 69 ASP H . . 4.660 4.034 3.666 4.361 . 0 0 "[ . 1 . 2]" 1
1472 1 65 VAL MG1 1 69 ASP HB2 . . 4.170 3.483 3.261 3.685 . 0 0 "[ . 1 . 2]" 1
1473 1 65 VAL MG1 1 69 ASP HB3 . . 4.950 4.722 4.170 4.963 0.013 6 0 "[ . 1 . 2]" 1
1474 1 65 VAL MG2 1 66 ALA H . . 3.840 3.673 3.519 3.840 0.000 7 0 "[ . 1 . 2]" 1
1475 1 65 VAL MG2 1 68 GLN H . . 5.050 4.891 4.781 5.010 . 0 0 "[ . 1 . 2]" 1
1476 1 66 ALA H 1 66 ALA MB . . 2.830 2.035 1.933 2.125 . 0 0 "[ . 1 . 2]" 1
1477 1 66 ALA H 1 67 TRP H . . 3.550 2.742 2.678 2.803 . 0 0 "[ . 1 . 2]" 1
1478 1 66 ALA H 1 67 TRP HB2 . . 5.310 5.343 5.318 5.368 0.058 17 0 "[ . 1 . 2]" 1
1479 1 66 ALA HA 1 69 ASP H . . 4.150 3.099 2.816 3.470 . 0 0 "[ . 1 . 2]" 1
1480 1 66 ALA HA 1 69 ASP HB2 . . 3.580 2.792 2.324 3.524 . 0 0 "[ . 1 . 2]" 1
1481 1 66 ALA HA 1 69 ASP HB3 . . 3.950 3.053 2.152 3.893 . 0 0 "[ . 1 . 2]" 1
1482 1 66 ALA HA 1 70 GLN H . . 4.850 3.782 3.517 4.097 . 0 0 "[ . 1 . 2]" 1
1483 1 66 ALA MB 1 67 TRP H . . 3.170 2.686 2.505 2.932 . 0 0 "[ . 1 . 2]" 1
1484 1 66 ALA MB 1 67 TRP HA . . 4.390 3.807 3.690 3.941 . 0 0 "[ . 1 . 2]" 1
1485 1 66 ALA MB 1 67 TRP HB2 . . 4.420 4.138 4.071 4.256 . 0 0 "[ . 1 . 2]" 1
1486 1 66 ALA MB 1 67 TRP HB3 . . 4.390 4.434 4.392 4.488 0.098 8 0 "[ . 1 . 2]" 1
1487 1 66 ALA MB 1 69 ASP HB2 . . 4.420 4.405 4.005 5.020 0.600 3 2 "[ + . -1 . 2]" 1
1488 1 67 TRP H 1 67 TRP HB2 . . 3.340 2.746 2.628 2.904 . 0 0 "[ . 1 . 2]" 1
1489 1 67 TRP H 1 67 TRP HB3 . . 3.350 2.242 2.201 2.299 . 0 0 "[ . 1 . 2]" 1
1490 1 67 TRP H 1 67 TRP HE3 . . 4.590 4.112 3.943 4.282 . 0 0 "[ . 1 . 2]" 1
1491 1 67 TRP H 1 68 GLN HB3 . . 5.320 4.668 4.367 4.874 . 0 0 "[ . 1 . 2]" 1
1492 1 67 TRP HA 1 67 TRP HD1 . . 3.740 3.132 3.060 3.274 . 0 0 "[ . 1 . 2]" 1
1493 1 67 TRP HA 1 67 TRP HE1 . . 5.380 5.336 5.280 5.384 0.004 16 0 "[ . 1 . 2]" 1
1494 1 67 TRP HA 1 70 GLN H . . 4.420 3.389 3.047 3.629 . 0 0 "[ . 1 . 2]" 1
1495 1 67 TRP HA 1 70 GLN HB2 . . 4.110 4.039 3.218 4.891 0.781 17 4 "[ - 1 .*+ *]" 1
1496 1 67 TRP HA 1 71 GLU H . . 4.600 3.675 3.343 3.994 . 0 0 "[ . 1 . 2]" 1
1497 1 67 TRP HB2 1 67 TRP HE1 . . 5.010 4.975 4.950 4.986 . 0 0 "[ . 1 . 2]" 1
1498 1 67 TRP HB2 1 67 TRP HE3 . . 3.980 3.990 3.962 4.059 0.079 19 0 "[ . 1 . 2]" 1
1499 1 67 TRP HB3 1 67 TRP HE3 . . 3.800 2.430 2.403 2.516 . 0 0 "[ . 1 . 2]" 1
1500 1 67 TRP HB3 1 67 TRP HZ3 . . 4.910 4.862 4.842 4.929 0.019 19 0 "[ . 1 . 2]" 1
1501 1 67 TRP HB3 1 68 GLN H . . 4.440 3.059 2.687 3.280 . 0 0 "[ . 1 . 2]" 1
1502 1 67 TRP HD1 1 71 GLU QG . . 3.810 3.244 2.589 3.596 . 0 0 "[ . 1 . 2]" 1
1503 1 67 TRP HE1 1 71 GLU HB2 . . 5.340 4.800 4.249 5.320 . 0 0 "[ . 1 . 2]" 1
1504 1 67 TRP HE1 1 71 GLU QG . . 3.920 2.881 2.357 3.228 . 0 0 "[ . 1 . 2]" 1
1505 1 67 TRP HE1 1 75 ALA HA . . 5.030 4.455 4.069 4.894 . 0 0 "[ . 1 . 2]" 1
1506 1 67 TRP HE3 1 68 GLN H . . 4.280 3.345 2.760 3.740 . 0 0 "[ . 1 . 2]" 1
1507 1 67 TRP HE3 1 68 GLN HA . . 4.590 3.704 3.254 4.000 . 0 0 "[ . 1 . 2]" 1
1508 1 67 TRP HE3 1 68 GLN HB2 . . 4.740 3.101 2.933 3.215 . 0 0 "[ . 1 . 2]" 1
1509 1 67 TRP HE3 1 68 GLN HG3 . . 5.180 5.190 4.979 5.818 0.638 7 2 "[ . + 1 . -2]" 1
1510 1 67 TRP HE3 1 75 ALA MB . . 4.470 3.368 3.036 3.764 . 0 0 "[ . 1 . 2]" 1
1511 1 67 TRP HH2 1 75 ALA HA . . 4.110 3.547 3.182 4.102 . 0 0 "[ . 1 . 2]" 1
1512 1 67 TRP HH2 1 75 ALA MB . . 4.110 3.417 3.052 3.852 . 0 0 "[ . 1 . 2]" 1
1513 1 67 TRP HH2 1 76 THR H . . 4.360 3.460 3.086 3.933 . 0 0 "[ . 1 . 2]" 1
1514 1 67 TRP HH2 1 79 ASN HB2 . . 4.820 4.218 4.017 4.563 . 0 0 "[ . 1 . 2]" 1
1515 1 67 TRP HH2 1 79 ASN HB3 . . 5.500 5.354 5.140 5.514 0.014 4 0 "[ . 1 . 2]" 1
1516 1 67 TRP HH2 1 80 LEU H . . 4.280 3.532 3.256 3.943 . 0 0 "[ . 1 . 2]" 1
1517 1 67 TRP HH2 1 80 LEU HA . . 4.670 4.565 4.283 4.700 0.030 12 0 "[ . 1 . 2]" 1
1518 1 67 TRP HH2 1 80 LEU HB2 . . 3.750 2.295 2.079 2.457 . 0 0 "[ . 1 . 2]" 1
1519 1 67 TRP HH2 1 80 LEU HB3 . . 4.240 3.681 3.337 3.954 . 0 0 "[ . 1 . 2]" 1
1520 1 67 TRP HH2 1 80 LEU MD1 . . 4.270 3.569 3.258 3.882 . 0 0 "[ . 1 . 2]" 1
1521 1 67 TRP HH2 1 80 LEU MD2 . . 3.720 3.005 2.796 3.384 . 0 0 "[ . 1 . 2]" 1
1522 1 67 TRP HZ2 1 71 GLU QG . . 5.130 4.303 3.975 4.884 . 0 0 "[ . 1 . 2]" 1
1523 1 67 TRP HZ2 1 75 ALA HA . . 3.690 3.119 2.729 3.556 . 0 0 "[ . 1 . 2]" 1
1524 1 67 TRP HZ2 1 75 ALA MB . . 4.150 3.824 3.360 4.126 . 0 0 "[ . 1 . 2]" 1
1525 1 67 TRP HZ2 1 76 THR H . . 4.090 3.431 3.144 3.981 . 0 0 "[ . 1 . 2]" 1
1526 1 67 TRP HZ2 1 79 ASN H . . 4.840 4.829 4.722 4.893 0.053 5 0 "[ . 1 . 2]" 1
1527 1 67 TRP HZ2 1 79 ASN HB2 . . 3.940 3.140 2.948 3.391 . 0 0 "[ . 1 . 2]" 1
1528 1 67 TRP HZ2 1 79 ASN HB3 . . 3.930 3.521 3.296 3.738 . 0 0 "[ . 1 . 2]" 1
1529 1 67 TRP HZ2 1 79 ASN HD21 . . 5.250 4.334 4.051 4.692 . 0 0 "[ . 1 . 2]" 1
1530 1 67 TRP HZ2 1 80 LEU H . . 4.270 3.305 3.042 3.707 . 0 0 "[ . 1 . 2]" 1
1531 1 67 TRP HZ2 1 80 LEU HA . . 4.650 3.429 3.089 3.666 . 0 0 "[ . 1 . 2]" 1
1532 1 67 TRP HZ2 1 80 LEU HB2 . . 4.390 2.712 2.201 3.005 . 0 0 "[ . 1 . 2]" 1
1533 1 67 TRP HZ2 1 80 LEU HB3 . . 4.680 4.412 3.912 4.690 0.010 11 0 "[ . 1 . 2]" 1
1534 1 67 TRP HZ2 1 80 LEU MD1 . . 5.010 2.777 2.514 3.058 . 0 0 "[ . 1 . 2]" 1
1535 1 67 TRP HZ3 1 68 GLN HA . . 5.200 4.548 4.025 4.931 . 0 0 "[ . 1 . 2]" 1
1536 1 67 TRP HZ3 1 75 ALA MB . . 4.230 3.117 2.562 3.711 . 0 0 "[ . 1 . 2]" 1
1537 1 67 TRP HZ3 1 80 LEU HB2 . . 4.790 4.009 3.825 4.209 . 0 0 "[ . 1 . 2]" 1
1538 1 67 TRP HZ3 1 80 LEU MD1 . . 4.700 4.066 3.516 4.516 . 0 0 "[ . 1 . 2]" 1
1539 1 67 TRP HZ3 1 80 LEU MD2 . . 4.390 2.772 2.495 3.275 . 0 0 "[ . 1 . 2]" 1
1540 1 68 GLN H 1 68 GLN HB2 . . 3.620 2.673 2.517 2.798 . 0 0 "[ . 1 . 2]" 1
1541 1 68 GLN H 1 68 GLN HB3 . . 3.810 2.404 2.349 2.473 . 0 0 "[ . 1 . 2]" 1
1542 1 68 GLN H 1 68 GLN HG2 . . 4.330 4.386 4.309 4.699 0.369 19 0 "[ . 1 . 2]" 1
1543 1 68 GLN H 1 68 GLN HG3 . . 4.920 4.477 4.348 4.526 . 0 0 "[ . 1 . 2]" 1
1544 1 68 GLN H 1 69 ASP H . . 4.550 2.390 2.182 2.799 . 0 0 "[ . 1 . 2]" 1
1545 1 68 GLN H 1 70 GLN H . . 5.170 3.772 3.498 3.969 . 0 0 "[ . 1 . 2]" 1
1546 1 68 GLN H 1 75 ALA MB . . 5.460 4.043 3.932 4.258 . 0 0 "[ . 1 . 2]" 1
1547 1 68 GLN HA 1 68 GLN HE22 . . 5.500 5.296 3.831 5.713 0.213 13 0 "[ . 1 . 2]" 1
1548 1 68 GLN HA 1 68 GLN HG2 . . 3.710 3.260 3.108 3.728 0.018 19 0 "[ . 1 . 2]" 1
1549 1 68 GLN HA 1 68 GLN HG3 . . 3.530 2.614 2.408 3.371 . 0 0 "[ . 1 . 2]" 1
1550 1 68 GLN HA 1 69 ASP HA . . 4.750 4.672 4.622 4.751 0.001 7 0 "[ . 1 . 2]" 1
1551 1 68 GLN HA 1 70 GLN H . . 4.430 4.267 3.714 4.462 0.032 20 0 "[ . 1 . 2]" 1
1552 1 68 GLN HA 1 71 GLU H . . 4.230 3.814 3.423 4.183 . 0 0 "[ . 1 . 2]" 1
1553 1 68 GLN HA 1 71 GLU HB2 . . 4.240 3.378 2.681 4.147 . 0 0 "[ . 1 . 2]" 1
1554 1 68 GLN HA 1 75 ALA HA . . 4.480 4.346 4.008 4.551 0.071 19 0 "[ . 1 . 2]" 1
1555 1 68 GLN HA 1 75 ALA MB . . 2.950 1.928 1.831 2.055 . 0 0 "[ . 1 . 2]" 1
1556 1 68 GLN HB2 1 69 ASP H . . 4.290 4.108 3.725 4.244 . 0 0 "[ . 1 . 2]" 1
1557 1 68 GLN HB2 1 75 ALA MB . . 3.940 3.140 2.746 3.436 . 0 0 "[ . 1 . 2]" 1
1558 1 68 GLN HB3 1 69 ASP H . . 4.080 2.948 2.266 3.287 . 0 0 "[ . 1 . 2]" 1
1559 1 68 GLN HB3 1 75 ALA MB . . 4.690 4.106 3.762 4.284 . 0 0 "[ . 1 . 2]" 1
1560 1 68 GLN HE21 1 75 ALA MB . . 5.500 3.151 2.375 3.899 . 0 0 "[ . 1 . 2]" 1
1561 1 68 GLN HE22 1 68 GLN HG2 . . 4.000 4.069 3.449 4.158 0.158 17 0 "[ . 1 . 2]" 1
1562 1 68 GLN HE22 1 68 GLN HG3 . . 3.770 3.623 3.489 4.033 0.263 19 0 "[ . 1 . 2]" 1
1563 1 68 GLN HE22 1 75 ALA MB . . 5.420 4.314 1.926 5.277 . 0 0 "[ . 1 . 2]" 1
1564 1 68 GLN HG2 1 69 ASP H . . 4.800 4.100 3.629 5.207 0.407 19 0 "[ . 1 . 2]" 1
1565 1 68 GLN HG2 1 69 ASP HA . . 4.760 3.886 3.464 5.490 0.730 19 1 "[ . 1 . +2]" 1
1566 1 68 GLN HG2 1 75 ALA MB . . 4.130 3.631 3.232 3.889 . 0 0 "[ . 1 . 2]" 1
1567 1 68 GLN HG3 1 75 ALA MB . . 3.820 2.500 1.871 3.947 0.127 7 0 "[ . 1 . 2]" 1
1568 1 69 ASP H 1 69 ASP HB2 . . 3.390 2.266 2.007 2.673 . 0 0 "[ . 1 . 2]" 1
1569 1 69 ASP H 1 69 ASP HB3 . . 3.560 2.879 2.325 3.335 . 0 0 "[ . 1 . 2]" 1
1570 1 69 ASP H 1 70 GLN H . . 5.060 2.350 2.199 2.635 . 0 0 "[ . 1 . 2]" 1
1571 1 69 ASP HB2 1 70 GLN H . . 3.930 3.553 3.028 3.936 0.006 20 0 "[ . 1 . 2]" 1
1572 1 69 ASP HB3 1 70 GLN H . . 3.870 2.987 2.605 3.841 . 0 0 "[ . 1 . 2]" 1
1573 1 70 GLN H 1 70 GLN HB2 . . 3.490 3.142 2.815 3.570 0.080 2 0 "[ . 1 . 2]" 1
1574 1 70 GLN H 1 70 GLN HB3 . . 3.520 2.238 2.108 2.503 . 0 0 "[ . 1 . 2]" 1
1575 1 70 GLN H 1 70 GLN HG2 . . 4.120 3.456 2.056 4.178 0.058 12 0 "[ . 1 . 2]" 1
1576 1 70 GLN H 1 70 GLN HG3 . . 4.180 4.049 3.415 4.350 0.170 12 0 "[ . 1 . 2]" 1
1577 1 70 GLN H 1 71 GLU H . . 3.650 2.722 2.503 2.927 . 0 0 "[ . 1 . 2]" 1
1578 1 70 GLN HA 1 70 GLN HG2 . . 3.770 3.754 3.692 3.780 0.010 17 0 "[ . 1 . 2]" 1
1579 1 70 GLN HA 1 70 GLN HG3 . . 3.840 3.101 2.742 3.793 . 0 0 "[ . 1 . 2]" 1
1580 1 70 GLN HB2 1 70 GLN HE22 . . 4.510 4.463 4.279 4.689 0.179 20 0 "[ . 1 . 2]" 1
1581 1 70 GLN HB2 1 71 GLU H . . 3.970 3.862 3.730 4.014 0.044 4 0 "[ . 1 . 2]" 1
1582 1 70 GLN HB3 1 71 GLU H . . 3.860 2.950 2.406 3.840 . 0 0 "[ . 1 . 2]" 1
1583 1 70 GLN HE21 1 71 GLU QG . . 4.890 2.854 2.147 3.258 . 0 0 "[ . 1 . 2]" 1
1584 1 70 GLN HE22 1 71 GLU QG . . 4.650 4.402 3.696 4.732 0.082 18 0 "[ . 1 . 2]" 1
1585 1 70 GLN HG2 1 71 GLU H . . 4.620 2.370 1.942 2.913 . 0 0 "[ . 1 . 2]" 1
1586 1 70 GLN HG2 1 71 GLU HA . . 4.510 3.623 3.125 4.400 . 0 0 "[ . 1 . 2]" 1
1587 1 70 GLN HG2 1 71 GLU QG . . 3.780 2.427 1.983 3.227 . 0 0 "[ . 1 . 2]" 1
1588 1 70 GLN HG3 1 71 GLU H . . 4.520 2.999 2.181 3.620 . 0 0 "[ . 1 . 2]" 1
1589 1 70 GLN HG3 1 71 GLU HA . . 4.600 3.318 3.010 3.558 . 0 0 "[ . 1 . 2]" 1
1590 1 71 GLU H 1 71 GLU HB2 . . 4.160 2.326 2.151 2.587 . 0 0 "[ . 1 . 2]" 1
1591 1 71 GLU H 1 71 GLU HB3 . . 4.080 3.526 3.443 3.575 . 0 0 "[ . 1 . 2]" 1
1592 1 71 GLU H 1 71 GLU QG . . 4.000 2.530 2.226 2.916 . 0 0 "[ . 1 . 2]" 1
1593 1 71 GLU H 1 72 GLY H . . 3.700 2.579 2.403 2.731 . 0 0 "[ . 1 . 2]" 1
1594 1 71 GLU H 1 72 GLY HA3 . . 5.500 5.144 5.002 5.278 . 0 0 "[ . 1 . 2]" 1
1595 1 71 GLU H 1 75 ALA MB . . 4.070 3.646 3.242 3.948 . 0 0 "[ . 1 . 2]" 1
1596 1 71 GLU HA 1 71 GLU QG . . 3.910 2.453 2.330 2.585 . 0 0 "[ . 1 . 2]" 1
1597 1 71 GLU HB2 1 72 GLY H . . 5.490 3.182 2.713 3.868 . 0 0 "[ . 1 . 2]" 1
1598 1 71 GLU HB2 1 75 ALA HA . . 4.310 3.179 2.757 3.466 . 0 0 "[ . 1 . 2]" 1
1599 1 71 GLU HB2 1 75 ALA MB . . 3.140 2.215 1.940 2.545 . 0 0 "[ . 1 . 2]" 1
1600 1 71 GLU HB3 1 74 HIS HB2 . . 4.040 2.163 1.981 2.503 . 0 0 "[ . 1 . 2]" 1
1601 1 71 GLU HB3 1 74 HIS HB3 . . 4.290 3.547 2.873 4.080 . 0 0 "[ . 1 . 2]" 1
1602 1 71 GLU HB3 1 75 ALA H . . 5.400 3.019 2.391 4.369 . 0 0 "[ . 1 . 2]" 1
1603 1 71 GLU HB3 1 75 ALA HA . . 4.570 3.314 2.835 4.219 . 0 0 "[ . 1 . 2]" 1
1604 1 71 GLU HB3 1 75 ALA MB . . 3.730 3.139 2.750 3.738 0.008 13 0 "[ . 1 . 2]" 1
1605 1 71 GLU QG 1 72 GLY H . . 5.090 4.363 4.146 4.578 . 0 0 "[ . 1 . 2]" 1
1606 1 71 GLU QG 1 75 ALA MB . . 3.930 3.459 3.112 3.739 . 0 0 "[ . 1 . 2]" 1
1607 1 72 GLY H 1 75 ALA MB . . 4.300 3.460 2.604 4.358 0.058 20 0 "[ . 1 . 2]" 1
1608 1 72 GLY HA2 1 73 VAL MG1 . . 4.750 4.121 3.694 5.125 0.375 20 0 "[ . 1 . 2]" 1
1609 1 73 VAL H 1 73 VAL MG1 . . 3.980 2.196 2.026 2.664 . 0 0 "[ . 1 . 2]" 1
1610 1 73 VAL H 1 73 VAL MG2 . . 3.960 2.490 1.977 3.839 . 0 0 "[ . 1 . 2]" 1
1611 1 73 VAL HA 1 73 VAL HB . . 2.970 2.406 2.290 2.579 . 0 0 "[ . 1 . 2]" 1
1612 1 73 VAL HA 1 73 VAL MG1 . . 3.230 2.599 2.269 3.206 . 0 0 "[ . 1 . 2]" 1
1613 1 73 VAL HA 1 73 VAL MG2 . . 3.520 2.996 2.082 3.216 . 0 0 "[ . 1 . 2]" 1
1614 1 73 VAL HA 1 75 ALA H . . 5.190 3.499 3.159 4.277 . 0 0 "[ . 1 . 2]" 1
1615 1 73 VAL HB 1 74 HIS H . . 5.500 4.454 4.281 4.679 . 0 0 "[ . 1 . 2]" 1
1616 1 73 VAL MG1 1 74 HIS H . . 4.260 3.959 3.644 4.304 0.044 7 0 "[ . 1 . 2]" 1
1617 1 73 VAL MG1 1 74 HIS HD2 . . 4.710 3.877 2.009 4.596 . 0 0 "[ . 1 . 2]" 1
1618 1 73 VAL MG2 1 74 HIS H . . 4.000 3.115 2.428 4.288 0.288 19 0 "[ . 1 . 2]" 1
1619 1 73 VAL MG2 1 74 HIS HA . . 4.680 3.585 3.164 4.483 . 0 0 "[ . 1 . 2]" 1
1620 1 73 VAL MG2 1 74 HIS HD2 . . 4.300 2.729 1.801 4.305 0.005 4 0 "[ . 1 . 2]" 1
1621 1 74 HIS H 1 74 HIS HB2 . . 4.010 2.582 2.184 2.944 . 0 0 "[ . 1 . 2]" 1
1622 1 74 HIS H 1 74 HIS HD2 . . 4.500 2.687 1.961 4.360 . 0 0 "[ . 1 . 2]" 1
1623 1 74 HIS HA 1 74 HIS HD2 . . 4.870 3.441 2.577 4.288 . 0 0 "[ . 1 . 2]" 1
1624 1 74 HIS HA 1 79 ASN HD21 . . 4.860 4.493 3.932 4.877 0.017 4 0 "[ . 1 . 2]" 1
1625 1 74 HIS HA 1 79 ASN HD22 . . 4.920 4.601 3.870 4.951 0.031 19 0 "[ . 1 . 2]" 1
1626 1 74 HIS HB2 1 75 ALA H . . 5.420 3.395 2.673 3.942 . 0 0 "[ . 1 . 2]" 1
1627 1 74 HIS HB2 1 79 ASN HD21 . . 4.870 4.804 4.211 4.910 0.040 12 0 "[ . 1 . 2]" 1
1628 1 74 HIS HB3 1 79 ASN HD21 . . 4.400 3.875 3.293 4.292 . 0 0 "[ . 1 . 2]" 1
1629 1 74 HIS HB3 1 79 ASN HD22 . . 4.420 3.994 3.672 4.377 . 0 0 "[ . 1 . 2]" 1
1630 1 75 ALA H 1 75 ALA MB . . 3.160 2.064 1.945 2.246 . 0 0 "[ . 1 . 2]" 1
1631 1 75 ALA H 1 76 THR MG . . 4.270 3.957 3.446 4.329 0.059 4 0 "[ . 1 . 2]" 1
1632 1 75 ALA HA 1 76 THR H . . 3.100 2.331 2.253 2.442 . 0 0 "[ . 1 . 2]" 1
1633 1 75 ALA HA 1 76 THR HA . . 4.470 4.428 4.389 4.470 . 0 0 "[ . 1 . 2]" 1
1634 1 75 ALA HA 1 76 THR MG . . 4.150 4.074 3.592 4.218 0.068 12 0 "[ . 1 . 2]" 1
1635 1 75 ALA HA 1 79 ASN HB2 . . 4.450 4.219 3.990 4.378 . 0 0 "[ . 1 . 2]" 1
1636 1 75 ALA HA 1 79 ASN HD21 . . 5.270 3.903 3.591 4.019 . 0 0 "[ . 1 . 2]" 1
1637 1 75 ALA HA 1 79 ASN HD22 . . 5.500 5.472 5.169 5.541 0.041 13 0 "[ . 1 . 2]" 1
1638 1 75 ALA MB 1 76 THR H . . 4.160 3.691 3.613 3.761 . 0 0 "[ . 1 . 2]" 1
1639 1 76 THR H 1 76 THR HG1 . . 4.580 2.907 2.043 3.696 . 0 0 "[ . 1 . 2]" 1
1640 1 76 THR H 1 76 THR MG . . 3.360 2.718 2.390 2.937 . 0 0 "[ . 1 . 2]" 1
1641 1 76 THR H 1 78 GLU H . . 5.500 5.034 4.761 5.370 . 0 0 "[ . 1 . 2]" 1
1642 1 76 THR H 1 79 ASN H . . 4.360 3.876 3.724 4.052 . 0 0 "[ . 1 . 2]" 1
1643 1 76 THR H 1 79 ASN HB2 . . 3.730 2.704 2.614 2.805 . 0 0 "[ . 1 . 2]" 1
1644 1 76 THR H 1 79 ASN HB3 . . 4.100 4.129 4.051 4.198 0.098 19 0 "[ . 1 . 2]" 1
1645 1 76 THR H 1 79 ASN HD21 . . 4.240 2.770 2.466 3.051 . 0 0 "[ . 1 . 2]" 1
1646 1 76 THR H 1 79 ASN HD22 . . 4.820 4.129 3.808 4.573 . 0 0 "[ . 1 . 2]" 1
1647 1 76 THR H 1 80 LEU H . . 5.070 4.254 3.939 4.623 . 0 0 "[ . 1 . 2]" 1
1648 1 76 THR HA 1 76 THR MG . . 3.280 2.379 2.228 2.622 . 0 0 "[ . 1 . 2]" 1
1649 1 76 THR HA 1 77 PRO HD2 . . 3.660 2.832 2.798 2.892 . 0 0 "[ . 1 . 2]" 1
1650 1 76 THR HA 1 77 PRO HD3 . . 3.460 2.053 2.031 2.095 . 0 0 "[ . 1 . 2]" 1
1651 1 76 THR HA 1 77 PRO HG2 . . 4.830 4.720 4.692 4.768 . 0 0 "[ . 1 . 2]" 1
1652 1 76 THR HA 1 77 PRO HG3 . . 4.720 4.302 4.284 4.337 . 0 0 "[ . 1 . 2]" 1
1653 1 76 THR HA 1 78 GLU H . . 5.170 4.174 4.018 4.335 . 0 0 "[ . 1 . 2]" 1
1654 1 76 THR HB 1 77 PRO HD2 . . 3.670 1.957 1.899 1.993 . 0 0 "[ . 1 . 2]" 1
1655 1 76 THR HB 1 77 PRO HD3 . . 3.900 2.982 2.747 3.042 . 0 0 "[ . 1 . 2]" 1
1656 1 76 THR HB 1 77 PRO HG3 . . 4.810 4.746 4.629 4.789 . 0 0 "[ . 1 . 2]" 1
1657 1 76 THR HB 1 78 GLU H . . 3.920 2.655 2.447 3.127 . 0 0 "[ . 1 . 2]" 1
1658 1 76 THR HG1 1 76 THR MG . . 3.480 2.590 1.976 3.022 . 0 0 "[ . 1 . 2]" 1
1659 1 76 THR HG1 1 78 GLU H . . 4.790 3.505 2.366 4.087 . 0 0 "[ . 1 . 2]" 1
1660 1 76 THR HG1 1 78 GLU HB2 . . 4.720 4.472 3.438 4.739 0.019 6 0 "[ . 1 . 2]" 1
1661 1 76 THR HG1 1 78 GLU HB3 . . 4.480 3.470 2.107 4.128 . 0 0 "[ . 1 . 2]" 1
1662 1 76 THR HG1 1 79 ASN H . . 3.820 2.434 1.938 3.179 . 0 0 "[ . 1 . 2]" 1
1663 1 76 THR HG1 1 79 ASN HD21 . . 4.890 2.993 2.521 4.377 . 0 0 "[ . 1 . 2]" 1
1664 1 76 THR HG1 1 79 ASN HD22 . . 4.960 3.185 2.415 4.828 . 0 0 "[ . 1 . 2]" 1
1665 1 76 THR HG1 1 80 LEU H . . 5.500 4.383 3.467 5.091 . 0 0 "[ . 1 . 2]" 1
1666 1 76 THR MG 1 77 PRO HD2 . . 4.560 3.304 3.098 3.714 . 0 0 "[ . 1 . 2]" 1
1667 1 76 THR MG 1 77 PRO HD3 . . 4.100 3.474 3.205 3.959 . 0 0 "[ . 1 . 2]" 1
1668 1 76 THR MG 1 78 GLU H . . 4.910 4.303 4.155 4.514 . 0 0 "[ . 1 . 2]" 1
1669 1 76 THR MG 1 79 ASN H . . 4.760 4.357 4.226 4.494 . 0 0 "[ . 1 . 2]" 1
1670 1 76 THR MG 1 79 ASN HB2 . . 4.430 4.300 3.919 4.478 0.048 5 0 "[ . 1 . 2]" 1
1671 1 76 THR MG 1 79 ASN HD21 . . 4.180 3.629 3.313 4.181 0.001 12 0 "[ . 1 . 2]" 1
1672 1 76 THR MG 1 79 ASN HD22 . . 4.950 3.718 3.232 4.663 . 0 0 "[ . 1 . 2]" 1
1673 1 77 PRO HA 1 79 ASN H . . 4.960 4.146 3.787 4.446 . 0 0 "[ . 1 . 2]" 1
1674 1 77 PRO HA 1 80 LEU H . . 4.090 3.277 3.123 3.511 . 0 0 "[ . 1 . 2]" 1
1675 1 77 PRO HA 1 80 LEU HB2 . . 3.870 3.257 2.982 3.640 . 0 0 "[ . 1 . 2]" 1
1676 1 77 PRO HA 1 80 LEU HB3 . . 3.480 2.777 2.428 3.054 . 0 0 "[ . 1 . 2]" 1
1677 1 77 PRO HA 1 80 LEU MD2 . . 4.020 3.483 3.251 3.692 . 0 0 "[ . 1 . 2]" 1
1678 1 77 PRO HA 1 81 ILE H . . 4.630 3.665 3.361 3.936 . 0 0 "[ . 1 . 2]" 1
1679 1 77 PRO HA 1 96 LEU MD1 . . 4.620 4.584 4.334 4.639 0.019 17 0 "[ . 1 . 2]" 1
1680 1 77 PRO HB2 1 78 GLU H . . 4.020 3.489 3.278 3.681 . 0 0 "[ . 1 . 2]" 1
1681 1 77 PRO HB2 1 96 LEU MD1 . . 4.520 3.889 3.655 4.148 . 0 0 "[ . 1 . 2]" 1
1682 1 77 PRO HB3 1 78 GLU H . . 4.400 4.325 4.208 4.431 0.031 12 0 "[ . 1 . 2]" 1
1683 1 77 PRO HB3 1 80 LEU MD2 . . 4.770 4.578 4.360 4.742 . 0 0 "[ . 1 . 2]" 1
1684 1 77 PRO HB3 1 81 ILE MD . . 4.280 4.065 3.175 4.307 0.027 17 0 "[ . 1 . 2]" 1
1685 1 77 PRO HB3 1 96 LEU HB3 . . 4.740 4.380 3.421 4.750 0.010 2 0 "[ . 1 . 2]" 1
1686 1 77 PRO HB3 1 96 LEU MD1 . . 4.260 3.428 3.056 3.664 . 0 0 "[ . 1 . 2]" 1
1687 1 77 PRO HD2 1 78 GLU H . . 4.160 2.285 2.253 2.355 . 0 0 "[ . 1 . 2]" 1
1688 1 77 PRO HD2 1 78 GLU HB2 . . 5.190 3.778 3.487 4.377 . 0 0 "[ . 1 . 2]" 1
1689 1 77 PRO HG3 1 78 GLU H . . 4.670 4.226 4.064 4.389 . 0 0 "[ . 1 . 2]" 1
1690 1 78 GLU H 1 78 GLU HB2 . . 3.290 2.312 2.021 2.860 . 0 0 "[ . 1 . 2]" 1
1691 1 78 GLU H 1 78 GLU HB3 . . 3.550 2.718 2.212 3.223 . 0 0 "[ . 1 . 2]" 1
1692 1 78 GLU H 1 78 GLU HG2 . . 4.250 4.328 4.186 4.466 0.216 10 0 "[ . 1 . 2]" 1
1693 1 78 GLU H 1 78 GLU HG3 . . 4.400 4.283 3.551 4.465 0.065 15 0 "[ . 1 . 2]" 1
1694 1 78 GLU H 1 79 ASN H . . 3.740 2.561 2.420 2.748 . 0 0 "[ . 1 . 2]" 1
1695 1 78 GLU H 1 81 ILE MD . . 4.760 4.340 3.483 4.765 0.005 10 0 "[ . 1 . 2]" 1
1696 1 78 GLU H 1 81 ILE HG13 . . 5.500 5.273 5.072 5.514 0.014 5 0 "[ . 1 . 2]" 1
1697 1 78 GLU HA 1 78 GLU HB3 . . 3.000 3.022 2.894 3.051 0.051 14 0 "[ . 1 . 2]" 1
1698 1 78 GLU HA 1 78 GLU HG2 . . 3.790 2.492 2.118 3.670 . 0 0 "[ . 1 . 2]" 1
1699 1 78 GLU HA 1 78 GLU HG3 . . 3.720 2.888 2.165 3.282 . 0 0 "[ . 1 . 2]" 1
1700 1 78 GLU HA 1 80 LEU H . . 5.090 4.553 3.982 4.968 . 0 0 "[ . 1 . 2]" 1
1701 1 78 GLU HA 1 81 ILE H . . 4.040 3.601 3.307 3.873 . 0 0 "[ . 1 . 2]" 1
1702 1 78 GLU HA 1 81 ILE HB . . 3.640 2.705 2.392 3.004 . 0 0 "[ . 1 . 2]" 1
1703 1 78 GLU HA 1 81 ILE MD . . 3.490 2.796 2.301 3.135 . 0 0 "[ . 1 . 2]" 1
1704 1 78 GLU HA 1 81 ILE HG13 . . 4.650 4.056 3.762 4.317 . 0 0 "[ . 1 . 2]" 1
1705 1 78 GLU HA 1 81 ILE MG . . 4.160 3.897 3.620 4.150 . 0 0 "[ . 1 . 2]" 1
1706 1 78 GLU HB2 1 79 ASN H . . 4.040 3.793 3.154 4.130 0.090 17 0 "[ . 1 . 2]" 1
1707 1 78 GLU HB3 1 79 ASN H . . 3.840 2.864 2.625 3.133 . 0 0 "[ . 1 . 2]" 1
1708 1 78 GLU HG2 1 79 ASN H . . 4.590 4.528 3.486 4.911 0.321 13 0 "[ . 1 . 2]" 1
1709 1 79 ASN H 1 79 ASN HB2 . . 3.430 2.265 2.116 2.398 . 0 0 "[ . 1 . 2]" 1
1710 1 79 ASN H 1 79 ASN HB3 . . 3.690 3.507 3.410 3.554 . 0 0 "[ . 1 . 2]" 1
1711 1 79 ASN H 1 79 ASN HD21 . . 4.550 4.046 3.811 4.385 . 0 0 "[ . 1 . 2]" 1
1712 1 79 ASN H 1 79 ASN HD22 . . 5.090 4.579 4.238 4.951 . 0 0 "[ . 1 . 2]" 1
1713 1 79 ASN H 1 80 LEU H . . 3.510 2.511 2.391 2.700 . 0 0 "[ . 1 . 2]" 1
1714 1 79 ASN H 1 80 LEU HB2 . . 5.460 4.560 4.370 4.775 . 0 0 "[ . 1 . 2]" 1
1715 1 79 ASN HB2 1 79 ASN HD22 . . 3.970 3.548 3.511 3.626 . 0 0 "[ . 1 . 2]" 1
1716 1 79 ASN HB2 1 80 LEU H . . 4.320 2.626 2.339 3.008 . 0 0 "[ . 1 . 2]" 1
1717 1 79 ASN HB3 1 80 LEU H . . 4.350 3.433 3.124 3.963 . 0 0 "[ . 1 . 2]" 1
1718 1 80 LEU H 1 80 LEU HB2 . . 3.530 2.258 2.120 2.677 . 0 0 "[ . 1 . 2]" 1
1719 1 80 LEU H 1 80 LEU HB3 . . 3.560 2.671 2.418 2.816 . 0 0 "[ . 1 . 2]" 1
1720 1 80 LEU H 1 80 LEU MD1 . . 4.440 3.760 3.592 4.196 . 0 0 "[ . 1 . 2]" 1
1721 1 80 LEU H 1 80 LEU MD2 . . 4.570 4.163 4.069 4.255 . 0 0 "[ . 1 . 2]" 1
1722 1 80 LEU H 1 80 LEU HG . . 4.780 4.510 4.392 4.553 . 0 0 "[ . 1 . 2]" 1
1723 1 80 LEU H 1 81 ILE H . . 3.750 2.719 2.320 2.931 . 0 0 "[ . 1 . 2]" 1
1724 1 80 LEU H 1 81 ILE MD . . 5.400 5.241 4.380 5.430 0.030 10 0 "[ . 1 . 2]" 1
1725 1 80 LEU H 1 83 ALA MB . . 5.380 4.876 4.572 5.064 . 0 0 "[ . 1 . 2]" 1
1726 1 80 LEU HA 1 80 LEU MD1 . . 3.070 1.964 1.919 2.149 . 0 0 "[ . 1 . 2]" 1
1727 1 80 LEU HA 1 80 LEU MD2 . . 4.060 3.806 3.750 3.895 . 0 0 "[ . 1 . 2]" 1
1728 1 80 LEU HA 1 80 LEU HG . . 4.010 3.013 2.844 3.139 . 0 0 "[ . 1 . 2]" 1
1729 1 80 LEU HA 1 82 ASN H . . 4.800 4.342 3.985 4.552 . 0 0 "[ . 1 . 2]" 1
1730 1 80 LEU HA 1 83 ALA H . . 4.220 3.335 3.128 3.541 . 0 0 "[ . 1 . 2]" 1
1731 1 80 LEU HA 1 83 ALA MB . . 3.420 2.723 2.388 2.993 . 0 0 "[ . 1 . 2]" 1
1732 1 80 LEU HB2 1 80 LEU MD1 . . 3.400 2.419 2.343 2.502 . 0 0 "[ . 1 . 2]" 1
1733 1 80 LEU HB2 1 80 LEU MD2 . . 3.440 2.409 2.271 2.541 . 0 0 "[ . 1 . 2]" 1
1734 1 80 LEU HB2 1 81 ILE H . . 4.360 3.722 3.561 3.910 . 0 0 "[ . 1 . 2]" 1
1735 1 80 LEU HB3 1 80 LEU MD2 . . 3.480 2.283 2.123 2.392 . 0 0 "[ . 1 . 2]" 1
1736 1 80 LEU HB3 1 81 ILE H . . 3.960 2.572 2.370 2.729 . 0 0 "[ . 1 . 2]" 1
1737 1 80 LEU MD1 1 81 ILE H . . 5.150 4.608 4.460 4.750 . 0 0 "[ . 1 . 2]" 1
1738 1 80 LEU MD1 1 83 ALA H . . 5.260 4.402 4.003 4.691 . 0 0 "[ . 1 . 2]" 1
1739 1 80 LEU MD1 1 83 ALA MB . . 3.630 2.856 2.600 3.214 . 0 0 "[ . 1 . 2]" 1
1740 1 80 LEU MD1 1 84 LEU H . . 4.950 4.185 3.720 4.684 . 0 0 "[ . 1 . 2]" 1
1741 1 80 LEU MD1 1 84 LEU MD1 . . 3.900 3.784 3.569 3.933 0.033 6 0 "[ . 1 . 2]" 1
1742 1 80 LEU MD1 1 84 LEU MD2 . . 3.900 3.859 3.674 4.056 0.156 17 0 "[ . 1 . 2]" 1
1743 1 80 LEU MD1 1 84 LEU HG . . 4.690 3.477 3.142 3.867 . 0 0 "[ . 1 . 2]" 1
1744 1 80 LEU MD2 1 81 ILE H . . 4.650 4.474 4.285 4.655 0.005 5 0 "[ . 1 . 2]" 1
1745 1 80 LEU HG 1 81 ILE H . . 4.810 4.183 3.863 4.410 . 0 0 "[ . 1 . 2]" 1
1746 1 80 LEU HG 1 84 LEU H . . 5.380 4.361 4.031 4.641 . 0 0 "[ . 1 . 2]" 1
1747 1 80 LEU HG 1 84 LEU MD1 . . 3.530 2.579 2.303 2.789 . 0 0 "[ . 1 . 2]" 1
1748 1 80 LEU HG 1 84 LEU HG . . 4.690 2.943 2.638 3.239 . 0 0 "[ . 1 . 2]" 1
1749 1 81 ILE H 1 81 ILE HB . . 3.250 2.270 2.166 2.414 . 0 0 "[ . 1 . 2]" 1
1750 1 81 ILE H 1 81 ILE MD . . 3.710 3.471 3.012 3.684 . 0 0 "[ . 1 . 2]" 1
1751 1 81 ILE H 1 81 ILE HG12 . . 3.970 3.610 3.425 3.772 . 0 0 "[ . 1 . 2]" 1
1752 1 81 ILE H 1 81 ILE HG13 . . 3.500 2.322 2.086 2.557 . 0 0 "[ . 1 . 2]" 1
1753 1 81 ILE H 1 81 ILE MG . . 3.820 3.663 3.606 3.706 . 0 0 "[ . 1 . 2]" 1
1754 1 81 ILE H 1 82 ASN H . . 3.660 2.778 2.689 2.859 . 0 0 "[ . 1 . 2]" 1
1755 1 81 ILE H 1 83 ALA H . . 5.120 4.325 4.060 4.497 . 0 0 "[ . 1 . 2]" 1
1756 1 81 ILE H 1 84 LEU MD1 . . 4.870 3.369 3.191 3.583 . 0 0 "[ . 1 . 2]" 1
1757 1 81 ILE HA 1 81 ILE MD . . 3.790 3.783 3.742 3.833 0.043 16 0 "[ . 1 . 2]" 1
1758 1 81 ILE HA 1 81 ILE HG12 . . 3.370 2.485 2.364 2.749 . 0 0 "[ . 1 . 2]" 1
1759 1 81 ILE HA 1 81 ILE HG13 . . 3.370 2.735 2.574 2.859 . 0 0 "[ . 1 . 2]" 1
1760 1 81 ILE HA 1 81 ILE MG . . 3.200 2.563 2.483 2.659 . 0 0 "[ . 1 . 2]" 1
1761 1 81 ILE HA 1 83 ALA H . . 5.210 4.452 4.157 4.700 . 0 0 "[ . 1 . 2]" 1
1762 1 81 ILE HA 1 84 LEU H . . 3.880 3.258 3.058 3.424 . 0 0 "[ . 1 . 2]" 1
1763 1 81 ILE HA 1 84 LEU HB2 . . 3.470 2.364 2.162 2.459 . 0 0 "[ . 1 . 2]" 1
1764 1 81 ILE HA 1 84 LEU HB3 . . 3.940 3.902 3.724 3.987 0.047 6 0 "[ . 1 . 2]" 1
1765 1 81 ILE HA 1 84 LEU MD1 . . 3.290 1.921 1.774 2.111 . 0 0 "[ . 1 . 2]" 1
1766 1 81 ILE HA 1 84 LEU HG . . 4.570 3.332 3.165 3.587 . 0 0 "[ . 1 . 2]" 1
1767 1 81 ILE HA 1 85 ASN H . . 4.690 4.144 4.017 4.272 . 0 0 "[ . 1 . 2]" 1
1768 1 81 ILE HA 1 93 ALA HA . . 3.920 2.887 2.529 3.079 . 0 0 "[ . 1 . 2]" 1
1769 1 81 ILE HA 1 93 ALA MB . . 3.750 3.055 2.684 3.263 . 0 0 "[ . 1 . 2]" 1
1770 1 81 ILE HB 1 81 ILE MD . . 3.110 2.265 2.114 2.388 . 0 0 "[ . 1 . 2]" 1
1771 1 81 ILE HB 1 82 ASN H . . 3.570 2.779 2.610 2.998 . 0 0 "[ . 1 . 2]" 1
1772 1 81 ILE MD 1 82 ASN H . . 4.890 4.632 4.447 4.881 . 0 0 "[ . 1 . 2]" 1
1773 1 81 ILE MD 1 93 ALA HA . . 4.070 3.284 2.921 3.747 . 0 0 "[ . 1 . 2]" 1
1774 1 81 ILE MD 1 96 LEU H . . 5.260 4.033 3.750 4.359 . 0 0 "[ . 1 . 2]" 1
1775 1 81 ILE MD 1 96 LEU HB2 . . 3.450 2.239 2.029 2.419 . 0 0 "[ . 1 . 2]" 1
1776 1 81 ILE MD 1 96 LEU MD1 . . 3.810 3.750 3.463 3.845 0.035 8 0 "[ . 1 . 2]" 1
1777 1 81 ILE MD 1 96 LEU MD2 . . 3.910 3.925 3.786 3.986 0.076 10 0 "[ . 1 . 2]" 1
1778 1 81 ILE MD 1 97 THR H . . 4.530 2.499 1.926 3.812 . 0 0 "[ . 1 . 2]" 1
1779 1 81 ILE MD 1 97 THR HA . . 3.990 3.365 2.763 3.995 0.005 8 0 "[ . 1 . 2]" 1
1780 1 81 ILE MD 1 97 THR HB . . 4.990 3.226 1.940 4.611 . 0 0 "[ . 1 . 2]" 1
1781 1 81 ILE MD 1 97 THR HG1 . . 3.960 3.433 2.745 4.022 0.062 10 0 "[ . 1 . 2]" 1
1782 1 81 ILE MD 1 97 THR MG . . 3.590 2.725 1.776 3.657 0.067 17 0 "[ . 1 . 2]" 1
1783 1 81 ILE HG12 1 84 LEU MD1 . . 4.300 2.780 2.570 3.167 . 0 0 "[ . 1 . 2]" 1
1784 1 81 ILE HG12 1 93 ALA HA . . 3.530 1.998 1.966 2.061 . 0 0 "[ . 1 . 2]" 1
1785 1 81 ILE HG12 1 96 LEU H . . 5.380 4.128 3.819 4.378 . 0 0 "[ . 1 . 2]" 1
1786 1 81 ILE HG12 1 96 LEU HB2 . . 4.160 2.348 2.009 2.677 . 0 0 "[ . 1 . 2]" 1
1787 1 81 ILE HG12 1 96 LEU MD1 . . 4.770 4.556 4.226 4.756 . 0 0 "[ . 1 . 2]" 1
1788 1 81 ILE HG12 1 96 LEU MD2 . . 4.480 3.474 2.881 3.699 . 0 0 "[ . 1 . 2]" 1
1789 1 81 ILE HG12 1 96 LEU HG . . 4.110 3.246 2.953 3.475 . 0 0 "[ . 1 . 2]" 1
1790 1 81 ILE HG13 1 81 ILE MG . . 3.450 3.226 3.180 3.241 . 0 0 "[ . 1 . 2]" 1
1791 1 81 ILE HG13 1 82 ASN H . . 4.850 4.572 4.437 4.694 . 0 0 "[ . 1 . 2]" 1
1792 1 81 ILE HG13 1 84 LEU MD1 . . 4.240 3.058 2.911 3.253 . 0 0 "[ . 1 . 2]" 1
1793 1 81 ILE HG13 1 96 LEU MD1 . . 4.490 4.300 4.040 4.442 . 0 0 "[ . 1 . 2]" 1
1794 1 81 ILE HG13 1 96 LEU MD2 . . 4.790 4.158 3.462 4.417 . 0 0 "[ . 1 . 2]" 1
1795 1 81 ILE HG13 1 96 LEU HG . . 4.260 3.128 2.926 3.333 . 0 0 "[ . 1 . 2]" 1
1796 1 81 ILE MG 1 82 ASN H . . 3.760 3.225 2.912 3.486 . 0 0 "[ . 1 . 2]" 1
1797 1 81 ILE MG 1 82 ASN HA . . 4.000 3.251 2.959 3.457 . 0 0 "[ . 1 . 2]" 1
1798 1 81 ILE MG 1 82 ASN HB2 . . 4.720 4.579 4.327 4.732 0.012 2 0 "[ . 1 . 2]" 1
1799 1 81 ILE MG 1 84 LEU H . . 4.690 4.557 4.243 4.712 0.022 16 0 "[ . 1 . 2]" 1
1800 1 81 ILE MG 1 85 ASN H . . 4.430 3.848 3.618 4.030 . 0 0 "[ . 1 . 2]" 1
1801 1 81 ILE MG 1 85 ASN HB2 . . 4.530 4.031 3.928 4.138 . 0 0 "[ . 1 . 2]" 1
1802 1 81 ILE MG 1 85 ASN HB3 . . 5.500 5.425 5.317 5.521 0.021 13 0 "[ . 1 . 2]" 1
1803 1 81 ILE MG 1 85 ASN HD21 . . 3.640 2.735 2.604 2.914 . 0 0 "[ . 1 . 2]" 1
1804 1 81 ILE MG 1 85 ASN HD22 . . 3.540 3.533 3.444 3.562 0.022 5 0 "[ . 1 . 2]" 1
1805 1 81 ILE MG 1 93 ALA HA . . 4.070 2.256 1.948 2.692 . 0 0 "[ . 1 . 2]" 1
1806 1 81 ILE MG 1 93 ALA MB . . 3.090 1.900 1.750 2.124 . 0 0 "[ . 1 . 2]" 1
1807 1 82 ASN H 1 82 ASN HB2 . . 3.340 2.041 2.021 2.075 . 0 0 "[ . 1 . 2]" 1
1808 1 82 ASN H 1 82 ASN HB3 . . 3.470 3.204 3.042 3.367 . 0 0 "[ . 1 . 2]" 1
1809 1 82 ASN H 1 83 ALA H . . 3.490 2.817 2.687 2.948 . 0 0 "[ . 1 . 2]" 1
1810 1 82 ASN H 1 83 ALA MB . . 4.460 4.364 4.203 4.482 0.022 9 0 "[ . 1 . 2]" 1
1811 1 82 ASN H 1 84 LEU H . . 4.950 4.201 3.918 4.373 . 0 0 "[ . 1 . 2]" 1
1812 1 82 ASN H 1 85 ASN H . . 5.100 4.782 4.735 4.824 . 0 0 "[ . 1 . 2]" 1
1813 1 82 ASN HA 1 82 ASN HD22 . . 5.500 4.008 3.401 4.474 . 0 0 "[ . 1 . 2]" 1
1814 1 82 ASN HA 1 84 LEU H . . 5.310 4.646 4.292 4.779 . 0 0 "[ . 1 . 2]" 1
1815 1 82 ASN HA 1 85 ASN H . . 4.210 3.586 3.459 3.651 . 0 0 "[ . 1 . 2]" 1
1816 1 82 ASN HA 1 85 ASN HB2 . . 3.490 2.806 2.757 2.851 . 0 0 "[ . 1 . 2]" 1
1817 1 82 ASN HA 1 85 ASN HB3 . . 4.220 4.261 4.230 4.285 0.065 18 0 "[ . 1 . 2]" 1
1818 1 82 ASN HA 1 85 ASN HD21 . . 4.210 3.106 2.790 3.460 . 0 0 "[ . 1 . 2]" 1
1819 1 82 ASN HA 1 85 ASN HD22 . . 4.720 4.646 4.452 4.746 0.026 17 0 "[ . 1 . 2]" 1
1820 1 82 ASN HA 1 86 LYS H . . 4.790 4.633 4.471 4.735 . 0 0 "[ . 1 . 2]" 1
1821 1 82 ASN HB2 1 83 ALA H . . 3.740 3.083 2.829 3.437 . 0 0 "[ . 1 . 2]" 1
1822 1 82 ASN HB2 1 83 ALA MB . . 4.770 4.484 4.240 4.725 . 0 0 "[ . 1 . 2]" 1
1823 1 82 ASN HB2 1 84 LEU H . . 5.470 5.361 5.093 5.486 0.016 8 0 "[ . 1 . 2]" 1
1824 1 82 ASN HB3 1 83 ALA H . . 3.720 2.677 2.398 2.983 . 0 0 "[ . 1 . 2]" 1
1825 1 82 ASN HB3 1 83 ALA HA . . 4.940 3.730 3.643 3.840 . 0 0 "[ . 1 . 2]" 1
1826 1 82 ASN HB3 1 83 ALA MB . . 4.660 3.820 3.672 3.983 . 0 0 "[ . 1 . 2]" 1
1827 1 83 ALA H 1 83 ALA MB . . 2.860 2.078 1.934 2.181 . 0 0 "[ . 1 . 2]" 1
1828 1 83 ALA H 1 84 LEU H . . 3.520 2.711 2.463 2.873 . 0 0 "[ . 1 . 2]" 1
1829 1 83 ALA H 1 84 LEU HB2 . . 5.200 4.732 4.568 4.874 . 0 0 "[ . 1 . 2]" 1
1830 1 83 ALA H 1 84 LEU MD1 . . 5.500 4.821 4.506 4.968 . 0 0 "[ . 1 . 2]" 1
1831 1 83 ALA H 1 84 LEU HG . . 4.930 4.528 4.298 4.704 . 0 0 "[ . 1 . 2]" 1
1832 1 83 ALA H 1 85 ASN H . . 4.960 4.161 3.910 4.379 . 0 0 "[ . 1 . 2]" 1
1833 1 83 ALA H 1 86 LYS QD . . 5.260 4.519 4.265 4.991 . 0 0 "[ . 1 . 2]" 1
1834 1 83 ALA HA 1 85 ASN H . . 5.080 4.250 3.811 4.513 . 0 0 "[ . 1 . 2]" 1
1835 1 83 ALA HA 1 86 LYS H . . 3.980 3.577 3.341 3.722 . 0 0 "[ . 1 . 2]" 1
1836 1 83 ALA HA 1 86 LYS QD . . 3.350 2.173 1.969 2.532 . 0 0 "[ . 1 . 2]" 1
1837 1 83 ALA HA 1 86 LYS QE . . 4.230 3.720 2.243 4.235 0.005 11 0 "[ . 1 . 2]" 1
1838 1 83 ALA HA 1 86 LYS HG3 . . 4.790 2.907 2.504 3.129 . 0 0 "[ . 1 . 2]" 1
1839 1 83 ALA HA 1 87 SER H . . 4.790 3.804 3.646 4.049 . 0 0 "[ . 1 . 2]" 1
1840 1 83 ALA MB 1 84 LEU H . . 3.370 2.516 2.359 2.776 . 0 0 "[ . 1 . 2]" 1
1841 1 83 ALA MB 1 87 SER H . . 5.280 4.244 4.138 4.490 . 0 0 "[ . 1 . 2]" 1
1842 1 84 LEU H 1 84 LEU HB2 . . 3.510 2.427 2.362 2.489 . 0 0 "[ . 1 . 2]" 1
1843 1 84 LEU H 1 84 LEU HB3 . . 3.940 3.532 3.525 3.540 . 0 0 "[ . 1 . 2]" 1
1844 1 84 LEU H 1 84 LEU MD1 . . 3.720 3.244 3.151 3.339 . 0 0 "[ . 1 . 2]" 1
1845 1 84 LEU H 1 84 LEU MD2 . . 4.180 3.602 3.493 3.772 . 0 0 "[ . 1 . 2]" 1
1846 1 84 LEU H 1 84 LEU HG . . 3.440 2.227 2.107 2.391 . 0 0 "[ . 1 . 2]" 1
1847 1 84 LEU H 1 85 ASN H . . 3.640 2.859 2.693 2.986 . 0 0 "[ . 1 . 2]" 1
1848 1 84 LEU H 1 85 ASN HA . . 5.500 5.320 5.179 5.417 . 0 0 "[ . 1 . 2]" 1
1849 1 84 LEU H 1 85 ASN HB2 . . 5.480 4.606 4.399 4.698 . 0 0 "[ . 1 . 2]" 1
1850 1 84 LEU H 1 86 LYS H . . 5.160 4.862 4.551 4.986 . 0 0 "[ . 1 . 2]" 1
1851 1 84 LEU H 1 87 SER H . . 5.500 4.528 4.473 4.663 . 0 0 "[ . 1 . 2]" 1
1852 1 84 LEU H 1 87 SER HB3 . . 5.030 4.292 4.151 4.508 . 0 0 "[ . 1 . 2]" 1
1853 1 84 LEU H 1 93 ALA MB . . 4.350 4.357 4.148 4.419 0.069 12 0 "[ . 1 . 2]" 1
1854 1 84 LEU HA 1 84 LEU MD1 . . 4.400 3.886 3.866 3.909 . 0 0 "[ . 1 . 2]" 1
1855 1 84 LEU HA 1 84 LEU MD2 . . 3.300 2.278 2.156 2.414 . 0 0 "[ . 1 . 2]" 1
1856 1 84 LEU HA 1 84 LEU HG . . 3.590 2.773 2.701 2.829 . 0 0 "[ . 1 . 2]" 1
1857 1 84 LEU HA 1 87 SER H . . 4.610 3.436 3.304 3.548 . 0 0 "[ . 1 . 2]" 1
1858 1 84 LEU HA 1 87 SER HB2 . . 4.420 3.794 3.666 4.024 . 0 0 "[ . 1 . 2]" 1
1859 1 84 LEU HA 1 87 SER HG . . 3.330 2.242 1.988 2.726 . 0 0 "[ . 1 . 2]" 1
1860 1 84 LEU HA 1 89 LEU H . . 4.700 3.390 3.239 3.531 . 0 0 "[ . 1 . 2]" 1
1861 1 84 LEU HA 1 89 LEU QB . . 4.380 2.385 2.231 2.497 . 0 0 "[ . 1 . 2]" 1
1862 1 84 LEU HB2 1 84 LEU MD1 . . 3.280 2.156 2.051 2.220 . 0 0 "[ . 1 . 2]" 1
1863 1 84 LEU HB2 1 85 ASN H . . 3.740 2.713 2.541 3.043 . 0 0 "[ . 1 . 2]" 1
1864 1 84 LEU HB2 1 93 ALA MB . . 3.600 2.397 2.189 2.699 . 0 0 "[ . 1 . 2]" 1
1865 1 84 LEU HB3 1 84 LEU MD1 . . 3.400 2.549 2.487 2.622 . 0 0 "[ . 1 . 2]" 1
1866 1 84 LEU HB3 1 84 LEU MD2 . . 3.460 2.225 2.153 2.314 . 0 0 "[ . 1 . 2]" 1
1867 1 84 LEU HB3 1 85 ASN H . . 4.040 3.645 3.496 3.927 . 0 0 "[ . 1 . 2]" 1
1868 1 84 LEU HB3 1 89 LEU H . . 5.370 3.626 3.438 3.933 . 0 0 "[ . 1 . 2]" 1
1869 1 84 LEU HB3 1 89 LEU MD2 . . 4.380 3.828 3.509 4.340 . 0 0 "[ . 1 . 2]" 1
1870 1 84 LEU HB3 1 93 ALA H . . 4.520 2.642 2.399 3.123 . 0 0 "[ . 1 . 2]" 1
1871 1 84 LEU HB3 1 93 ALA HA . . 4.610 4.157 3.809 4.593 . 0 0 "[ . 1 . 2]" 1
1872 1 84 LEU HB3 1 93 ALA MB . . 3.790 3.005 2.761 3.452 . 0 0 "[ . 1 . 2]" 1
1873 1 84 LEU MD1 1 85 ASN H . . 4.650 4.431 4.261 4.707 0.057 14 0 "[ . 1 . 2]" 1
1874 1 84 LEU MD1 1 92 LEU HB2 . . 4.380 2.988 2.797 3.248 . 0 0 "[ . 1 . 2]" 1
1875 1 84 LEU MD1 1 92 LEU HB3 . . 3.970 1.920 1.810 2.130 . 0 0 "[ . 1 . 2]" 1
1876 1 84 LEU MD1 1 93 ALA H . . 4.100 2.676 2.511 2.965 . 0 0 "[ . 1 . 2]" 1
1877 1 84 LEU MD1 1 93 ALA HA . . 3.240 2.462 2.287 2.720 . 0 0 "[ . 1 . 2]" 1
1878 1 84 LEU MD1 1 93 ALA MB . . 3.350 2.973 2.816 3.122 . 0 0 "[ . 1 . 2]" 1
1879 1 84 LEU MD1 1 96 LEU HB2 . . 4.970 3.849 3.604 4.038 . 0 0 "[ . 1 . 2]" 1
1880 1 84 LEU MD1 1 96 LEU MD2 . . 3.210 2.763 2.391 3.101 . 0 0 "[ . 1 . 2]" 1
1881 1 84 LEU MD2 1 87 SER H . . 5.180 5.212 5.182 5.251 0.071 3 0 "[ . 1 . 2]" 1
1882 1 84 LEU MD2 1 89 LEU H . . 4.460 4.193 3.912 4.327 . 0 0 "[ . 1 . 2]" 1
1883 1 84 LEU MD2 1 89 LEU QB . . 3.050 1.963 1.850 2.174 . 0 0 "[ . 1 . 2]" 1
1884 1 84 LEU MD2 1 92 LEU HB2 . . 3.140 2.031 1.940 2.179 . 0 0 "[ . 1 . 2]" 1
1885 1 84 LEU MD2 1 93 ALA H . . 3.990 3.574 3.333 3.982 . 0 0 "[ . 1 . 2]" 1
1886 1 85 ASN H 1 85 ASN HB2 . . 3.380 2.043 2.024 2.068 . 0 0 "[ . 1 . 2]" 1
1887 1 85 ASN H 1 85 ASN HB3 . . 3.680 3.297 3.225 3.347 . 0 0 "[ . 1 . 2]" 1
1888 1 85 ASN H 1 85 ASN HD21 . . 4.410 3.115 2.848 3.412 . 0 0 "[ . 1 . 2]" 1
1889 1 85 ASN H 1 85 ASN HD22 . . 4.960 4.554 4.422 4.793 . 0 0 "[ . 1 . 2]" 1
1890 1 85 ASN H 1 86 LYS H . . 3.590 3.057 2.789 3.152 . 0 0 "[ . 1 . 2]" 1
1891 1 85 ASN H 1 87 SER H . . 4.990 3.873 3.604 4.103 . 0 0 "[ . 1 . 2]" 1
1892 1 85 ASN H 1 87 SER HB3 . . 4.840 4.883 4.856 4.955 0.115 12 0 "[ . 1 . 2]" 1
1893 1 85 ASN H 1 88 GLY H . . 5.500 4.732 4.410 4.843 . 0 0 "[ . 1 . 2]" 1
1894 1 85 ASN H 1 93 ALA MB . . 3.970 3.223 2.961 3.619 . 0 0 "[ . 1 . 2]" 1
1895 1 85 ASN HA 1 85 ASN HD21 . . 4.570 3.509 3.021 3.827 . 0 0 "[ . 1 . 2]" 1
1896 1 85 ASN HA 1 85 ASN HD22 . . 5.500 3.950 3.675 4.137 . 0 0 "[ . 1 . 2]" 1
1897 1 85 ASN HA 1 87 SER H . . 4.650 4.387 4.257 4.596 . 0 0 "[ . 1 . 2]" 1
1898 1 85 ASN HA 1 90 SER H . . 4.380 3.845 3.178 4.388 0.008 3 0 "[ . 1 . 2]" 1
1899 1 85 ASN HA 1 90 SER QB . . 4.080 3.946 3.895 3.996 . 0 0 "[ . 1 . 2]" 1
1900 1 85 ASN HA 1 93 ALA MB . . 3.990 3.421 3.145 3.615 . 0 0 "[ . 1 . 2]" 1
1901 1 85 ASN HB2 1 85 ASN HD21 . . 3.640 2.157 2.102 2.304 . 0 0 "[ . 1 . 2]" 1
1902 1 85 ASN HB2 1 85 ASN HD22 . . 3.990 3.468 3.445 3.528 . 0 0 "[ . 1 . 2]" 1
1903 1 85 ASN HB2 1 86 LYS H . . 3.710 2.698 2.639 2.755 . 0 0 "[ . 1 . 2]" 1
1904 1 85 ASN HB2 1 86 LYS QB . . 4.800 4.677 4.632 4.732 . 0 0 "[ . 1 . 2]" 1
1905 1 85 ASN HB2 1 87 SER H . . 5.500 4.800 4.679 4.966 . 0 0 "[ . 1 . 2]" 1
1906 1 85 ASN HB2 1 93 ALA MB . . 5.050 3.956 3.701 4.087 . 0 0 "[ . 1 . 2]" 1
1907 1 85 ASN HB3 1 86 LYS H . . 3.940 2.250 2.152 2.472 . 0 0 "[ . 1 . 2]" 1
1908 1 85 ASN HB3 1 87 SER H . . 5.500 4.650 4.526 4.849 . 0 0 "[ . 1 . 2]" 1
1909 1 85 ASN HB3 1 93 ALA MB . . 5.060 4.978 4.737 5.102 0.042 16 0 "[ . 1 . 2]" 1
1910 1 85 ASN HD21 1 93 ALA MB . . 4.270 2.870 2.425 3.243 . 0 0 "[ . 1 . 2]" 1
1911 1 85 ASN HD22 1 93 ALA MB . . 3.920 3.057 2.655 3.303 . 0 0 "[ . 1 . 2]" 1
1912 1 86 LYS H 1 86 LYS QB . . 3.190 2.491 2.473 2.561 . 0 0 "[ . 1 . 2]" 1
1913 1 86 LYS H 1 86 LYS QE . . 5.270 4.330 3.287 4.622 . 0 0 "[ . 1 . 2]" 1
1914 1 86 LYS H 1 86 LYS HG2 . . 3.760 1.921 1.876 1.968 . 0 0 "[ . 1 . 2]" 1
1915 1 86 LYS H 1 86 LYS HG3 . . 4.150 3.142 2.697 3.262 . 0 0 "[ . 1 . 2]" 1
1916 1 86 LYS H 1 87 SER H . . 3.510 2.761 2.677 2.900 . 0 0 "[ . 1 . 2]" 1
1917 1 86 LYS H 1 87 SER HB3 . . 5.230 4.683 4.546 4.763 . 0 0 "[ . 1 . 2]" 1
1918 1 86 LYS H 1 88 GLY H . . 4.790 3.929 3.845 4.046 . 0 0 "[ . 1 . 2]" 1
1919 1 86 LYS HA 1 86 LYS QD . . 4.600 4.476 4.423 4.620 0.020 5 0 "[ . 1 . 2]" 1
1920 1 86 LYS HA 1 86 LYS QE . . 4.370 4.268 4.012 4.385 0.015 19 0 "[ . 1 . 2]" 1
1921 1 86 LYS HA 1 86 LYS HG2 . . 3.920 3.687 3.649 3.772 . 0 0 "[ . 1 . 2]" 1
1922 1 86 LYS HA 1 86 LYS HG3 . . 3.600 3.771 3.667 3.809 0.209 15 0 "[ . 1 . 2]" 1
1923 1 86 LYS QB 1 86 LYS QE . . 2.760 1.977 1.831 2.100 . 0 0 "[ . 1 . 2]" 1
1924 1 86 LYS QB 1 87 SER H . . 3.770 3.531 3.421 3.600 . 0 0 "[ . 1 . 2]" 1
1925 1 86 LYS QB 1 87 SER HA . . 4.330 4.337 4.259 4.375 0.045 8 0 "[ . 1 . 2]" 1
1926 1 86 LYS QE 1 86 LYS HG3 . . 3.250 2.602 2.355 3.336 0.086 6 0 "[ . 1 . 2]" 1
1927 1 86 LYS QE 1 87 SER H . . 5.340 4.498 4.050 4.984 . 0 0 "[ . 1 . 2]" 1
1928 1 86 LYS HG2 1 87 SER HB3 . . 4.550 4.044 3.928 4.566 0.016 14 0 "[ . 1 . 2]" 1
1929 1 86 LYS HG3 1 87 SER H . . 5.010 2.315 1.971 2.542 . 0 0 "[ . 1 . 2]" 1
1930 1 86 LYS HG3 1 87 SER HB3 . . 4.370 3.299 3.175 3.410 . 0 0 "[ . 1 . 2]" 1
1931 1 86 LYS HG3 1 88 GLY H . . 4.930 4.611 4.374 4.741 . 0 0 "[ . 1 . 2]" 1
1932 1 87 SER H 1 87 SER HB2 . . 3.540 3.404 3.255 3.503 . 0 0 "[ . 1 . 2]" 1
1933 1 87 SER H 1 87 SER HB3 . . 3.720 2.129 2.025 2.246 . 0 0 "[ . 1 . 2]" 1
1934 1 87 SER H 1 87 SER HG . . 3.300 2.950 2.590 3.351 0.051 13 0 "[ . 1 . 2]" 1
1935 1 87 SER H 1 88 GLY H . . 3.630 2.633 2.588 2.674 . 0 0 "[ . 1 . 2]" 1
1936 1 87 SER H 1 89 LEU H . . 4.490 3.786 3.529 3.922 . 0 0 "[ . 1 . 2]" 1
1937 1 87 SER HA 1 87 SER HG . . 3.920 3.586 3.519 3.941 0.021 3 0 "[ . 1 . 2]" 1
1938 1 87 SER HA 1 88 GLY HA3 . . 4.470 4.544 4.520 4.577 0.107 3 0 "[ . 1 . 2]" 1
1939 1 87 SER HA 1 89 LEU H . . 4.770 4.688 4.504 4.774 0.004 9 0 "[ . 1 . 2]" 1
1940 1 87 SER HA 1 89 LEU MD2 . . 4.660 4.710 4.295 4.852 0.192 16 0 "[ . 1 . 2]" 1
1941 1 87 SER HB2 1 89 LEU MD2 . . 3.770 3.141 2.816 3.395 . 0 0 "[ . 1 . 2]" 1
1942 1 87 SER HB3 1 88 GLY H . . 4.710 3.951 3.548 4.141 . 0 0 "[ . 1 . 2]" 1
1943 1 87 SER HB3 1 89 LEU H . . 4.300 4.123 3.673 4.338 0.038 18 0 "[ . 1 . 2]" 1
1944 1 87 SER HB3 1 89 LEU MD2 . . 4.000 3.513 3.101 3.674 . 0 0 "[ . 1 . 2]" 1
1945 1 87 SER HG 1 89 LEU H . . 3.610 1.941 1.917 2.086 . 0 0 "[ . 1 . 2]" 1
1946 1 87 SER HG 1 89 LEU QB . . 4.660 1.997 1.942 2.089 . 0 0 "[ . 1 . 2]" 1
1947 1 87 SER HG 1 89 LEU MD1 . . 4.430 2.880 1.986 4.299 . 0 0 "[ . 1 . 2]" 1
1948 1 87 SER HG 1 89 LEU MD2 . . 4.230 2.580 2.073 2.886 . 0 0 "[ . 1 . 2]" 1
1949 1 88 GLY H 1 89 LEU H . . 3.390 2.441 2.212 2.520 . 0 0 "[ . 1 . 2]" 1
1950 1 88 GLY H 1 89 LEU QB . . 4.970 4.275 3.980 4.362 . 0 0 "[ . 1 . 2]" 1
1951 1 88 GLY H 1 89 LEU MD2 . . 5.150 5.015 3.736 5.159 0.009 7 0 "[ . 1 . 2]" 1
1952 1 88 GLY H 1 90 SER H . . 5.220 4.347 4.048 4.536 . 0 0 "[ . 1 . 2]" 1
1953 1 89 LEU H 1 89 LEU QB . . 3.430 2.235 2.116 2.284 . 0 0 "[ . 1 . 2]" 1
1954 1 89 LEU H 1 89 LEU MD1 . . 3.850 2.868 2.565 3.876 0.026 3 0 "[ . 1 . 2]" 1
1955 1 89 LEU H 1 89 LEU MD2 . . 3.870 3.624 2.082 3.802 . 0 0 "[ . 1 . 2]" 1
1956 1 89 LEU H 1 89 LEU HG . . 4.990 4.521 4.042 4.652 . 0 0 "[ . 1 . 2]" 1
1957 1 89 LEU H 1 90 SER H . . 3.690 2.955 2.849 3.626 . 0 0 "[ . 1 . 2]" 1
1958 1 89 LEU HA 1 89 LEU MD1 . . 2.850 1.938 1.891 2.091 . 0 0 "[ . 1 . 2]" 1
1959 1 89 LEU HA 1 89 LEU MD2 . . 4.490 3.716 2.648 3.822 . 0 0 "[ . 1 . 2]" 1
1960 1 89 LEU HA 1 89 LEU HG . . 4.180 2.883 2.756 3.646 . 0 0 "[ . 1 . 2]" 1
1961 1 89 LEU HA 1 90 SER H . . 3.300 2.853 2.606 2.984 . 0 0 "[ . 1 . 2]" 1
1962 1 89 LEU QB 1 89 LEU MD2 . . 3.080 2.023 1.941 2.330 . 0 0 "[ . 1 . 2]" 1
1963 1 89 LEU QB 1 90 SER H . . 4.430 3.921 3.845 3.998 . 0 0 "[ . 1 . 2]" 1
1964 1 89 LEU MD1 1 90 SER H . . 4.280 4.047 3.967 4.190 . 0 0 "[ . 1 . 2]" 1
1965 1 90 SER H 1 90 SER QB . . 3.340 2.415 2.055 2.624 . 0 0 "[ . 1 . 2]" 1
1966 1 90 SER H 1 91 ASP H . . 3.780 2.970 2.670 3.032 . 0 0 "[ . 1 . 2]" 1
1967 1 90 SER H 1 91 ASP QB . . 5.110 4.636 4.313 5.014 . 0 0 "[ . 1 . 2]" 1
1968 1 90 SER H 1 93 ALA MB . . 4.520 4.371 4.225 4.485 . 0 0 "[ . 1 . 2]" 1
1969 1 90 SER HA 1 93 ALA H . . 3.740 3.552 3.212 3.699 . 0 0 "[ . 1 . 2]" 1
1970 1 90 SER HA 1 93 ALA MB . . 3.140 2.239 2.122 2.334 . 0 0 "[ . 1 . 2]" 1
1971 1 90 SER QB 1 91 ASP H . . 4.850 3.399 2.853 3.582 . 0 0 "[ . 1 . 2]" 1
1972 1 90 SER QB 1 93 ALA MB . . 4.020 3.700 3.575 3.829 . 0 0 "[ . 1 . 2]" 1
1973 1 90 SER QB 1 94 GLU H . . 4.750 4.288 4.046 4.565 . 0 0 "[ . 1 . 2]" 1
1974 1 91 ASP H 1 91 ASP QB . . 3.710 2.130 1.985 2.579 . 0 0 "[ . 1 . 2]" 1
1975 1 91 ASP H 1 92 LEU H . . 3.740 2.990 2.854 3.108 . 0 0 "[ . 1 . 2]" 1
1976 1 91 ASP HA 1 94 GLU H . . 4.370 3.891 3.741 4.053 . 0 0 "[ . 1 . 2]" 1
1977 1 91 ASP HA 1 94 GLU QB . . 3.610 2.994 2.797 3.834 0.224 14 0 "[ . 1 . 2]" 1
1978 1 91 ASP HA 1 94 GLU QG . . 4.730 4.022 1.926 4.542 . 0 0 "[ . 1 . 2]" 1
1979 1 91 ASP QB 1 92 LEU H . . 3.580 2.172 1.928 2.466 . 0 0 "[ . 1 . 2]" 1
1980 1 91 ASP QB 1 92 LEU HB2 . . 5.020 3.924 3.801 4.068 . 0 0 "[ . 1 . 2]" 1
1981 1 91 ASP QB 1 92 LEU MD2 . . 4.710 2.437 2.216 2.726 . 0 0 "[ . 1 . 2]" 1
1982 1 91 ASP QB 1 92 LEU HG . . 4.720 4.597 4.456 4.674 . 0 0 "[ . 1 . 2]" 1
1983 1 92 LEU H 1 92 LEU HB2 . . 3.280 2.093 2.050 2.121 . 0 0 "[ . 1 . 2]" 1
1984 1 92 LEU H 1 92 LEU MD2 . . 3.890 2.250 2.080 2.500 . 0 0 "[ . 1 . 2]" 1
1985 1 92 LEU H 1 92 LEU HG . . 3.560 3.605 3.552 3.666 0.106 14 0 "[ . 1 . 2]" 1
1986 1 92 LEU HA 1 92 LEU MD1 . . 3.680 2.713 2.530 2.917 . 0 0 "[ . 1 . 2]" 1
1987 1 92 LEU HA 1 92 LEU MD2 . . 3.000 1.978 1.871 2.088 . 0 0 "[ . 1 . 2]" 1
1988 1 92 LEU HA 1 94 GLU H . . 4.830 4.581 3.982 4.872 0.042 3 0 "[ . 1 . 2]" 1
1989 1 92 LEU HA 1 95 SER H . . 4.480 3.224 2.979 3.453 . 0 0 "[ . 1 . 2]" 1
1990 1 92 LEU HA 1 95 SER HB2 . . 3.710 2.342 1.989 3.832 0.122 7 0 "[ . 1 . 2]" 1
1991 1 92 LEU HA 1 95 SER HB3 . . 3.840 3.536 2.056 3.847 0.007 10 0 "[ . 1 . 2]" 1
1992 1 92 LEU HA 1 95 SER HG . . 4.770 2.607 2.000 3.647 . 0 0 "[ . 1 . 2]" 1
1993 1 92 LEU HB2 1 92 LEU MD2 . . 3.590 2.677 2.617 2.728 . 0 0 "[ . 1 . 2]" 1
1994 1 92 LEU HB3 1 92 LEU MD1 . . 3.180 2.130 1.965 2.223 . 0 0 "[ . 1 . 2]" 1
1995 1 92 LEU HB3 1 92 LEU MD2 . . 3.120 3.155 3.135 3.173 0.053 10 0 "[ . 1 . 2]" 1
1996 1 92 LEU HB3 1 93 ALA H . . 3.450 2.854 2.728 3.231 . 0 0 "[ . 1 . 2]" 1
1997 1 92 LEU HB3 1 93 ALA HA . . 4.120 3.920 3.861 4.049 . 0 0 "[ . 1 . 2]" 1
1998 1 92 LEU HB3 1 95 SER H . . 5.370 5.121 4.833 5.394 0.024 10 0 "[ . 1 . 2]" 1
1999 1 92 LEU MD1 1 95 SER HB2 . . 5.060 3.663 3.203 4.697 . 0 0 "[ . 1 . 2]" 1
2000 1 92 LEU MD1 1 95 SER HB3 . . 5.180 4.383 4.008 4.812 . 0 0 "[ . 1 . 2]" 1
2001 1 92 LEU MD1 1 96 LEU MD2 . . 3.530 2.003 1.768 2.271 . 0 0 "[ . 1 . 2]" 1
2002 1 92 LEU MD2 1 95 SER HB2 . . 4.940 3.345 2.835 3.984 . 0 0 "[ . 1 . 2]" 1
2003 1 92 LEU MD2 1 95 SER HB3 . . 5.000 3.930 3.097 4.267 . 0 0 "[ . 1 . 2]" 1
2004 1 92 LEU MD2 1 95 SER HG . . 3.950 2.913 2.409 3.559 . 0 0 "[ . 1 . 2]" 1
2005 1 92 LEU MD2 1 96 LEU MD2 . . 4.470 3.463 3.204 3.676 . 0 0 "[ . 1 . 2]" 1
2006 1 93 ALA H 1 93 ALA MB . . 2.710 2.170 2.135 2.189 . 0 0 "[ . 1 . 2]" 1
2007 1 93 ALA HA 1 95 SER H . . 5.500 4.647 4.184 5.254 . 0 0 "[ . 1 . 2]" 1
2008 1 93 ALA HA 1 96 LEU H . . 4.530 3.801 3.462 4.054 . 0 0 "[ . 1 . 2]" 1
2009 1 93 ALA HA 1 96 LEU HB2 . . 4.820 3.128 2.836 3.482 . 0 0 "[ . 1 . 2]" 1
2010 1 93 ALA HA 1 96 LEU MD2 . . 3.820 3.441 2.515 3.885 0.065 12 0 "[ . 1 . 2]" 1
2011 1 93 ALA HA 1 96 LEU HG . . 4.500 4.401 4.158 4.530 0.030 13 0 "[ . 1 . 2]" 1
2012 1 93 ALA HA 1 97 THR H . . 5.500 3.991 3.554 4.510 . 0 0 "[ . 1 . 2]" 1
2013 1 93 ALA MB 1 94 GLU H . . 3.550 2.398 2.247 2.701 . 0 0 "[ . 1 . 2]" 1
2014 1 93 ALA MB 1 94 GLU QB . . 4.410 4.023 3.793 4.182 . 0 0 "[ . 1 . 2]" 1
2015 1 93 ALA MB 1 94 GLU QG . . 4.980 3.486 3.103 4.268 . 0 0 "[ . 1 . 2]" 1
2016 1 93 ALA MB 1 95 SER H . . 5.180 4.445 4.211 4.865 . 0 0 "[ . 1 . 2]" 1
2017 1 94 GLU H 1 94 GLU QB . . 2.980 2.226 2.090 2.392 . 0 0 "[ . 1 . 2]" 1
2018 1 94 GLU H 1 94 GLU QG . . 3.950 2.667 2.152 3.354 . 0 0 "[ . 1 . 2]" 1
2019 1 94 GLU H 1 95 SER H . . 4.010 2.717 2.499 2.887 . 0 0 "[ . 1 . 2]" 1
2020 1 94 GLU HA 1 94 GLU QG . . 3.840 2.297 2.028 3.330 . 0 0 "[ . 1 . 2]" 1
2021 1 94 GLU HA 1 97 THR H . . 4.040 3.673 3.023 4.099 0.059 13 0 "[ . 1 . 2]" 1
2022 1 94 GLU HA 1 97 THR HB . . 3.910 3.915 3.574 4.083 0.173 3 0 "[ . 1 . 2]" 1
2023 1 94 GLU HA 1 97 THR MG . . 4.110 2.730 1.944 3.964 . 0 0 "[ . 1 . 2]" 1
2024 1 94 GLU QB 1 95 SER H . . 3.940 2.668 2.314 3.619 . 0 0 "[ . 1 . 2]" 1
2025 1 94 GLU QB 1 95 SER HB2 . . 5.140 4.889 4.434 5.949 0.809 14 1 "[ . 1 +. 2]" 1
2026 1 94 GLU QB 1 96 LEU H . . 5.320 4.920 4.380 5.437 0.117 14 0 "[ . 1 . 2]" 1
2027 1 94 GLU QB 1 98 ASN HD21 . . 5.370 4.581 3.324 5.517 0.147 18 0 "[ . 1 . 2]" 1
2028 1 94 GLU QB 1 98 ASN HD22 . . 5.500 5.002 3.492 5.514 0.014 5 0 "[ . 1 . 2]" 1
2029 1 94 GLU QG 1 95 SER H . . 5.500 4.194 2.194 4.508 . 0 0 "[ . 1 . 2]" 1
2030 1 95 SER H 1 95 SER HB2 . . 3.710 2.590 2.104 3.527 . 0 0 "[ . 1 . 2]" 1
2031 1 95 SER H 1 95 SER HB3 . . 3.950 3.405 2.066 3.573 . 0 0 "[ . 1 . 2]" 1
2032 1 95 SER HA 1 98 ASN HB2 . . 4.580 4.131 2.770 4.727 0.147 10 0 "[ . 1 . 2]" 1
2033 1 95 SER HA 1 98 ASN HD21 . . 5.180 3.105 1.937 5.320 0.140 6 0 "[ . 1 . 2]" 1
2034 1 95 SER HA 1 98 ASN HD22 . . 5.380 3.580 2.368 4.963 . 0 0 "[ . 1 . 2]" 1
2035 1 95 SER HB2 1 96 LEU H . . 4.040 2.572 2.143 3.995 . 0 0 "[ . 1 . 2]" 1
2036 1 96 LEU H 1 96 LEU HB2 . . 3.320 2.270 2.144 2.365 . 0 0 "[ . 1 . 2]" 1
2037 1 96 LEU H 1 96 LEU HB3 . . 3.480 3.498 3.444 3.526 0.046 16 0 "[ . 1 . 2]" 1
2038 1 96 LEU H 1 96 LEU MD1 . . 3.930 3.652 3.274 3.865 . 0 0 "[ . 1 . 2]" 1
2039 1 96 LEU H 1 96 LEU MD2 . . 4.030 1.890 1.795 2.053 . 0 0 "[ . 1 . 2]" 1
2040 1 96 LEU H 1 96 LEU HG . . 3.700 3.750 3.609 3.964 0.264 10 0 "[ . 1 . 2]" 1
2041 1 96 LEU H 1 97 THR MG . . 5.290 4.485 4.215 4.833 . 0 0 "[ . 1 . 2]" 1
2042 1 96 LEU H 1 98 ASN H . . 5.000 4.493 3.893 5.050 0.050 8 0 "[ . 1 . 2]" 1
2043 1 96 LEU HA 1 96 LEU MD1 . . 3.090 1.971 1.924 2.049 . 0 0 "[ . 1 . 2]" 1
2044 1 96 LEU HA 1 96 LEU MD2 . . 3.490 2.594 2.416 2.972 . 0 0 "[ . 1 . 2]" 1
2045 1 96 LEU HB2 1 96 LEU MD1 . . 3.600 3.216 3.206 3.222 . 0 0 "[ . 1 . 2]" 1
2046 1 96 LEU HB2 1 96 LEU MD2 . . 3.550 2.403 2.266 2.476 . 0 0 "[ . 1 . 2]" 1
2047 1 96 LEU HB2 1 97 THR H . . 4.010 2.460 2.216 2.933 . 0 0 "[ . 1 . 2]" 1
2048 1 96 LEU HB2 1 97 THR HA . . 4.770 4.586 4.377 4.798 0.028 10 0 "[ . 1 . 2]" 1
2049 1 96 LEU HB2 1 97 THR MG . . 4.770 4.020 3.177 4.860 0.090 10 0 "[ . 1 . 2]" 1
2050 1 96 LEU HB3 1 96 LEU MD1 . . 3.290 2.375 2.339 2.453 . 0 0 "[ . 1 . 2]" 1
2051 1 96 LEU HB3 1 96 LEU MD2 . . 3.090 3.218 3.205 3.223 0.133 9 0 "[ . 1 . 2]" 1
2052 1 96 LEU HB3 1 97 THR H . . 3.220 3.140 2.741 3.857 0.637 16 1 "[ . 1 .+ 2]" 1
2053 1 96 LEU HB3 1 97 THR HA . . 4.910 4.189 3.960 4.559 . 0 0 "[ . 1 . 2]" 1
2054 1 96 LEU MD1 1 97 THR H . . 5.500 4.623 4.459 4.818 . 0 0 "[ . 1 . 2]" 1
2055 1 96 LEU MD2 1 97 THR H . . 5.260 3.998 3.843 4.118 . 0 0 "[ . 1 . 2]" 1
2056 1 97 THR H 1 97 THR HB . . 3.630 2.822 2.021 3.521 . 0 0 "[ . 1 . 2]" 1
2057 1 97 THR H 1 97 THR MG . . 3.630 2.467 1.885 2.938 . 0 0 "[ . 1 . 2]" 1
2058 1 97 THR H 1 98 ASN H . . 3.790 3.196 2.858 3.697 . 0 0 "[ . 1 . 2]" 1
2059 1 97 THR H 1 98 ASN HB2 . . 5.500 4.761 4.019 5.560 0.060 10 0 "[ . 1 . 2]" 1
2060 1 97 THR HA 1 97 THR MG . . 3.130 2.759 2.292 3.198 0.068 17 0 "[ . 1 . 2]" 1
2061 1 97 THR HA 1 98 ASN HB2 . . 4.820 4.679 4.434 5.726 0.906 10 1 "[ . + . 2]" 1
2062 1 97 THR HB 1 98 ASN H . . 4.240 3.701 2.810 4.490 0.250 16 0 "[ . 1 . 2]" 1
2063 1 97 THR MG 1 98 ASN H . . 4.640 3.339 1.881 4.401 . 0 0 "[ . 1 . 2]" 1
2064 1 98 ASN H 1 98 ASN HB2 . . 3.980 2.867 2.084 3.901 . 0 0 "[ . 1 . 2]" 1
2065 1 98 ASN H 1 99 ASP H . . 4.900 3.756 2.281 4.670 . 0 0 "[ . 1 . 2]" 1
2066 1 99 ASP QB 1 100 ASN QD . . 4.860 3.491 2.095 4.352 . 0 0 "[ . 1 . 2]" 1
2067 1 100 ASN H 1 100 ASN QD . . 5.500 3.479 2.006 4.615 . 0 0 "[ . 1 . 2]" 1
2068 1 100 ASN HB3 1 101 GLU H . . 5.210 3.808 2.365 4.626 . 0 0 "[ . 1 . 2]" 1
2069 1 101 GLU H 1 101 GLU HG2 . . 4.850 4.179 2.063 5.160 0.310 8 0 "[ . 1 . 2]" 1
2070 1 101 GLU HA 1 101 GLU HG2 . . 4.220 2.890 2.029 4.194 . 0 0 "[ . 1 . 2]" 1
2071 1 101 GLU HB2 1 102 THR H . . 5.500 3.967 2.362 4.712 . 0 0 "[ . 1 . 2]" 1
2072 1 102 THR HA 1 102 THR MG . . 3.630 2.701 2.320 3.241 . 0 0 "[ . 1 . 2]" 1
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