NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
613014 |
2nbo   |
25986 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nbo
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 2001
_Distance_constraint_stats_list.Viol_count 2661
_Distance_constraint_stats_list.Viol_total 1361.130
_Distance_constraint_stats_list.Viol_max 0.292
_Distance_constraint_stats_list.Viol_rms 0.0099
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0256
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.768 0.098 11 0 "[ . 1 . 2]"
1 2 PRO 1.119 0.098 11 0 "[ . 1 . 2]"
1 3 THR 0.357 0.055 15 0 "[ . 1 . 2]"
1 4 GLY 0.034 0.020 15 0 "[ . 1 . 2]"
1 5 THR 0.028 0.020 15 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.465 0.292 17 0 "[ . 1 . 2]"
1 8 SER 1.460 0.292 17 0 "[ . 1 . 2]"
1 9 LYS 1.908 0.153 14 0 "[ . 1 . 2]"
1 10 CYS 0.240 0.064 8 0 "[ . 1 . 2]"
1 11 PRO 0.785 0.098 8 0 "[ . 1 . 2]"
1 12 LEU 2.455 0.111 20 0 "[ . 1 . 2]"
1 13 MET 1.448 0.111 20 0 "[ . 1 . 2]"
1 14 VAL 0.337 0.024 9 0 "[ . 1 . 2]"
1 15 LYS 1.248 0.054 14 0 "[ . 1 . 2]"
1 16 VAL 0.618 0.066 14 0 "[ . 1 . 2]"
1 17 LEU 2.686 0.102 19 0 "[ . 1 . 2]"
1 18 ASP 2.035 0.272 19 0 "[ . 1 . 2]"
1 19 ALA 0.716 0.055 14 0 "[ . 1 . 2]"
1 20 VAL 0.837 0.073 3 0 "[ . 1 . 2]"
1 21 ARG 0.947 0.051 20 0 "[ . 1 . 2]"
1 22 GLY 1.512 0.272 19 0 "[ . 1 . 2]"
1 23 SER 0.852 0.079 16 0 "[ . 1 . 2]"
1 24 PRO 2.155 0.102 19 0 "[ . 1 . 2]"
1 25 ALA 2.277 0.088 20 0 "[ . 1 . 2]"
1 26 ILE 7.637 0.096 17 0 "[ . 1 . 2]"
1 27 ASN 2.072 0.061 11 0 "[ . 1 . 2]"
1 28 VAL 3.288 0.095 20 0 "[ . 1 . 2]"
1 29 ALA 0.160 0.031 14 0 "[ . 1 . 2]"
1 30 VAL 1.175 0.052 14 0 "[ . 1 . 2]"
1 31 HIS 2.328 0.131 1 0 "[ . 1 . 2]"
1 32 VAL 1.431 0.109 4 0 "[ . 1 . 2]"
1 33 PHE 2.693 0.105 9 0 "[ . 1 . 2]"
1 34 ARG 7.685 0.144 9 0 "[ . 1 . 2]"
1 35 LYS 7.964 0.165 5 0 "[ . 1 . 2]"
1 36 ALA 5.497 0.165 5 0 "[ . 1 . 2]"
1 37 ALA 0.222 0.019 15 0 "[ . 1 . 2]"
1 38 ASP 0.026 0.008 18 0 "[ . 1 . 2]"
1 39 ASP 1.623 0.083 18 0 "[ . 1 . 2]"
1 40 THR 1.218 0.057 18 0 "[ . 1 . 2]"
1 41 TRP 0.048 0.013 20 0 "[ . 1 . 2]"
1 42 GLU 0.681 0.045 18 0 "[ . 1 . 2]"
1 43 PRO 1.730 0.093 5 0 "[ . 1 . 2]"
1 44 PHE 1.424 0.079 13 0 "[ . 1 . 2]"
1 45 ALA 0.525 0.083 4 0 "[ . 1 . 2]"
1 46 SER 1.139 0.121 4 0 "[ . 1 . 2]"
1 47 GLY 0.833 0.170 17 0 "[ . 1 . 2]"
1 48 LYS 3.228 0.113 17 0 "[ . 1 . 2]"
1 49 THR 1.616 0.085 17 0 "[ . 1 . 2]"
1 50 SER 1.439 0.084 14 0 "[ . 1 . 2]"
1 51 GLU 2.535 0.094 14 0 "[ . 1 . 2]"
1 52 SER 1.463 0.068 20 0 "[ . 1 . 2]"
1 53 GLY 0.944 0.066 14 0 "[ . 1 . 2]"
1 54 GLU 0.304 0.043 17 0 "[ . 1 . 2]"
1 55 LEU 0.836 0.170 17 0 "[ . 1 . 2]"
1 57 GLY 0.077 0.043 17 0 "[ . 1 . 2]"
1 58 LEU 1.609 0.166 4 0 "[ . 1 . 2]"
1 59 THR 0.059 0.011 9 0 "[ . 1 . 2]"
1 60 THR 0.222 0.091 15 0 "[ . 1 . 2]"
1 61 GLU 0.125 0.119 15 0 "[ . 1 . 2]"
1 62 GLU 0.355 0.047 15 0 "[ . 1 . 2]"
1 63 GLU 0.231 0.119 15 0 "[ . 1 . 2]"
1 64 PHE 0.096 0.025 20 0 "[ . 1 . 2]"
1 65 VAL 1.306 0.067 9 0 "[ . 1 . 2]"
1 66 GLU 0.059 0.022 14 0 "[ . 1 . 2]"
1 67 GLY 0.113 0.016 19 0 "[ . 1 . 2]"
1 68 ILE 2.559 0.064 11 0 "[ . 1 . 2]"
1 69 TYR 2.027 0.115 18 0 "[ . 1 . 2]"
1 70 LYS 1.458 0.141 18 0 "[ . 1 . 2]"
1 71 VAL 0.566 0.053 14 0 "[ . 1 . 2]"
1 72 GLU 3.555 0.132 20 0 "[ . 1 . 2]"
1 73 ILE 2.311 0.132 20 0 "[ . 1 . 2]"
1 74 ASP 0.533 0.075 9 0 "[ . 1 . 2]"
1 75 THR 1.133 0.069 18 0 "[ . 1 . 2]"
1 76 LYS 1.676 0.182 6 0 "[ . 1 . 2]"
1 77 SER 1.346 0.149 7 0 "[ . 1 . 2]"
1 78 TYR 0.421 0.068 17 0 "[ . 1 . 2]"
1 79 TRP 1.437 0.149 12 0 "[ . 1 . 2]"
1 80 LYS 1.434 0.149 7 0 "[ . 1 . 2]"
1 81 ALA 0.647 0.060 19 0 "[ . 1 . 2]"
1 82 LEU 1.412 0.149 12 0 "[ . 1 . 2]"
1 83 GLY 0.168 0.041 15 0 "[ . 1 . 2]"
1 84 ILE 0.340 0.079 7 0 "[ . 1 . 2]"
1 85 SER 0.286 0.073 3 0 "[ . 1 . 2]"
1 87 MET 0.320 0.113 11 0 "[ . 1 . 2]"
1 90 HIS 0.540 0.069 18 0 "[ . 1 . 2]"
1 92 GLU 0.279 0.039 14 0 "[ . 1 . 2]"
1 93 VAL 1.218 0.063 9 0 "[ . 1 . 2]"
1 94 VAL 0.257 0.053 2 0 "[ . 1 . 2]"
1 95 PHE 0.541 0.055 17 0 "[ . 1 . 2]"
1 96 THR 0.217 0.042 14 0 "[ . 1 . 2]"
1 97 ALA 0.298 0.043 14 0 "[ . 1 . 2]"
1 99 ASP 0.015 0.015 9 0 "[ . 1 . 2]"
1 105 TYR 0.048 0.023 17 0 "[ . 1 . 2]"
1 106 THR 0.847 0.041 4 0 "[ . 1 . 2]"
1 107 ILE 1.163 0.063 9 0 "[ . 1 . 2]"
1 108 ALA 0.182 0.032 17 0 "[ . 1 . 2]"
1 109 ALA 0.187 0.020 2 0 "[ . 1 . 2]"
1 110 MET 3.010 0.068 20 0 "[ . 1 . 2]"
1 111 LEU 2.611 0.088 20 0 "[ . 1 . 2]"
1 112 SER 0.004 0.004 16 0 "[ . 1 . 2]"
1 113 PRO 0.155 0.031 3 0 "[ . 1 . 2]"
1 114 TYR 0.318 0.113 11 0 "[ . 1 . 2]"
1 125 PRO 0.031 0.030 13 0 "[ . 1 . 2]"
1 126 LYS 0.089 0.030 13 0 "[ . 1 . 2]"
1 127 GLU 0.071 0.023 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLU HA 1 8 SER H . . 3.260 2.672 2.138 3.552 0.292 17 0 "[ . 1 . 2]" 1
2 1 7 GLU HA 1 7 GLU QG . . 3.350 2.681 2.102 3.351 0.001 8 0 "[ . 1 . 2]" 1
3 1 7 GLU HB2 1 7 GLU QG . . 2.760 2.399 2.142 2.498 . 0 0 "[ . 1 . 2]" 1
4 1 79 TRP HA 1 81 ALA H . . 4.010 3.844 3.747 3.967 . 0 0 "[ . 1 . 2]" 1
5 1 13 MET HA 1 13 MET HG3 . . 3.920 3.603 3.587 3.614 . 0 0 "[ . 1 . 2]" 1
6 1 16 VAL HB 1 17 LEU H . . 4.500 4.263 4.228 4.302 . 0 0 "[ . 1 . 2]" 1
7 1 17 LEU HG 1 18 ASP H . . 4.980 4.029 3.976 4.129 . 0 0 "[ . 1 . 2]" 1
8 1 19 ALA H 1 19 ALA MB . . 3.240 2.118 2.024 2.280 . 0 0 "[ . 1 . 2]" 1
9 1 26 ILE MD 1 26 ILE MG . . 2.510 1.878 1.852 1.889 . 0 0 "[ . 1 . 2]" 1
10 1 26 ILE HG13 1 26 ILE MG . . 3.180 2.566 2.554 2.601 . 0 0 "[ . 1 . 2]" 1
11 1 26 ILE HG12 1 26 ILE MG . . 3.310 3.163 3.152 3.167 . 0 0 "[ . 1 . 2]" 1
12 1 26 ILE H 1 26 ILE MG . . 3.670 3.526 3.511 3.541 . 0 0 "[ . 1 . 2]" 1
13 1 26 ILE HA 1 27 ASN HB2 . . 5.100 4.831 4.824 4.838 . 0 0 "[ . 1 . 2]" 1
14 1 27 ASN HB3 1 48 LYS QE . . 4.670 4.337 4.103 4.524 . 0 0 "[ . 1 . 2]" 1
15 1 28 VAL MG1 1 74 ASP H . . 4.120 3.388 3.172 3.555 . 0 0 "[ . 1 . 2]" 1
16 1 28 VAL HA 1 28 VAL MG2 . . 3.330 2.289 2.235 2.334 . 0 0 "[ . 1 . 2]" 1
17 1 30 VAL HA 1 30 VAL MG2 . . 3.180 2.344 2.274 2.412 . 0 0 "[ . 1 . 2]" 1
18 1 32 VAL HA 1 71 VAL HA . . 4.330 2.092 1.978 2.191 . 0 0 "[ . 1 . 2]" 1
19 1 32 VAL HB 1 44 PHE QR . . 4.150 2.536 2.376 2.803 . 0 0 "[ . 1 . 2]" 1
20 1 32 VAL HA 1 32 VAL MG2 . . 3.490 2.448 2.401 2.494 . 0 0 "[ . 1 . 2]" 1
21 1 33 PHE HA 1 33 PHE QD . . 4.250 3.096 3.085 3.104 . 0 0 "[ . 1 . 2]" 1
22 1 34 ARG HA 1 34 ARG HD3 . . 4.590 3.763 3.663 3.894 . 0 0 "[ . 1 . 2]" 1
23 1 34 ARG HB2 1 34 ARG HD2 . . 4.210 3.384 3.329 3.438 . 0 0 "[ . 1 . 2]" 1
24 1 35 LYS HA 1 36 ALA MB . . 4.030 3.986 3.944 4.014 . 0 0 "[ . 1 . 2]" 1
25 1 35 LYS HB2 1 35 LYS QD . . 3.800 2.855 2.790 3.005 . 0 0 "[ . 1 . 2]" 1
26 1 35 LYS H 1 35 LYS QD . . 4.560 4.489 4.442 4.564 0.004 16 0 "[ . 1 . 2]" 1
27 1 35 LYS QE 1 39 ASP QB . . 3.860 3.849 3.344 3.922 0.062 11 0 "[ . 1 . 2]" 1
28 1 35 LYS QG 1 36 ALA HA . . 5.120 4.224 4.182 4.250 . 0 0 "[ . 1 . 2]" 1
29 1 36 ALA HA 1 37 ALA HA . . 4.400 4.303 4.302 4.305 . 0 0 "[ . 1 . 2]" 1
30 1 37 ALA HA 1 39 ASP H . . 4.060 3.483 3.471 3.495 . 0 0 "[ . 1 . 2]" 1
31 1 38 ASP HA 1 39 ASP HA . . 5.160 4.975 4.969 4.980 . 0 0 "[ . 1 . 2]" 1
32 1 37 ALA HA 1 38 ASP HA . . 4.640 4.628 4.622 4.635 . 0 0 "[ . 1 . 2]" 1
33 1 38 ASP H 1 39 ASP HA . . 4.770 4.727 4.712 4.746 . 0 0 "[ . 1 . 2]" 1
34 1 35 LYS QG 1 39 ASP HA . . 4.120 3.848 3.838 3.861 . 0 0 "[ . 1 . 2]" 1
35 1 42 GLU HA 1 43 PRO HD3 . . 3.480 2.281 2.273 2.290 . 0 0 "[ . 1 . 2]" 1
36 1 42 GLU HA 1 43 PRO HD2 . . 3.480 2.353 2.330 2.381 . 0 0 "[ . 1 . 2]" 1
37 1 41 TRP HB2 1 42 GLU HA . . 5.340 5.136 5.095 5.178 . 0 0 "[ . 1 . 2]" 1
38 1 42 GLU HA 1 42 GLU QG . . 3.410 2.507 2.426 2.617 . 0 0 "[ . 1 . 2]" 1
39 1 43 PRO HA 1 45 ALA H . . 4.300 3.835 3.750 4.035 . 0 0 "[ . 1 . 2]" 1
40 1 33 PHE QD 1 43 PRO HA . . 4.080 3.153 3.075 3.273 . 0 0 "[ . 1 . 2]" 1
41 1 33 PHE QE 1 43 PRO HA . . 4.310 3.312 3.229 3.406 . 0 0 "[ . 1 . 2]" 1
42 1 33 PHE HA 1 43 PRO HA . . 4.160 3.103 2.952 3.157 . 0 0 "[ . 1 . 2]" 1
43 1 42 GLU HB3 1 43 PRO HD2 . . 3.740 2.200 2.158 2.271 . 0 0 "[ . 1 . 2]" 1
44 1 33 PHE QE 1 43 PRO HG2 . . 5.500 5.568 5.544 5.593 0.093 5 0 "[ . 1 . 2]" 1
45 1 31 HIS HA 1 46 SER HA . . 3.860 2.273 2.105 2.385 . 0 0 "[ . 1 . 2]" 1
46 1 30 VAL HB 1 47 GLY HA3 . . 5.030 4.655 4.371 4.870 . 0 0 "[ . 1 . 2]" 1
47 1 47 GLY HA3 1 48 LYS QB . . 5.310 4.459 4.378 4.621 . 0 0 "[ . 1 . 2]" 1
48 1 48 LYS HA 1 48 LYS QE . . 4.250 4.245 4.175 4.263 0.013 11 0 "[ . 1 . 2]" 1
49 1 48 LYS QE 1 48 LYS HG2 . . 3.340 3.305 3.300 3.320 . 0 0 "[ . 1 . 2]" 1
50 1 48 LYS H 1 48 LYS HG3 . . 4.060 3.774 3.598 3.981 . 0 0 "[ . 1 . 2]" 1
51 1 48 LYS HA 1 48 LYS HG2 . . 4.030 2.420 2.379 2.470 . 0 0 "[ . 1 . 2]" 1
52 1 51 GLU HA 1 51 GLU QG . . 3.340 3.326 3.322 3.329 . 0 0 "[ . 1 . 2]" 1
53 1 51 GLU H 1 51 GLU QG . . 3.310 1.965 1.947 1.979 . 0 0 "[ . 1 . 2]" 1
54 1 24 PRO HB3 1 53 GLY HA2 . . 4.180 3.657 3.566 3.707 . 0 0 "[ . 1 . 2]" 1
55 1 24 PRO HB3 1 53 GLY HA3 . . 4.360 3.489 3.341 3.593 . 0 0 "[ . 1 . 2]" 1
56 1 49 THR H 1 55 LEU MD1 . . 4.710 3.066 2.649 4.605 . 0 0 "[ . 1 . 2]" 1
57 1 47 GLY H 1 55 LEU MD1 . . 5.290 3.590 3.267 3.904 . 0 0 "[ . 1 . 2]" 1
58 1 48 LYS H 1 55 LEU HG . . 4.600 3.668 3.117 4.500 . 0 0 "[ . 1 . 2]" 1
59 1 58 LEU HA 1 58 LEU HG . . 4.130 2.876 2.281 3.701 . 0 0 "[ . 1 . 2]" 1
60 1 58 LEU HA 1 58 LEU MD1 . . 4.400 3.320 2.181 3.857 . 0 0 "[ . 1 . 2]" 1
61 1 32 VAL MG2 1 58 LEU HA . . 5.070 4.964 4.588 5.179 0.109 4 0 "[ . 1 . 2]" 1
62 1 45 ALA MB 1 58 LEU HB2 . . 4.260 3.451 3.286 4.011 . 0 0 "[ . 1 . 2]" 1
63 1 58 LEU H 1 58 LEU MD2 . . 4.430 3.630 1.927 4.168 . 0 0 "[ . 1 . 2]" 1
64 1 106 THR H 1 106 THR HB . . 4.170 2.526 2.483 2.679 . 0 0 "[ . 1 . 2]" 1
65 1 61 GLU HA 1 63 GLU QG . . 4.360 3.173 2.922 4.479 0.119 15 0 "[ . 1 . 2]" 1
66 1 60 THR H 1 63 GLU QG . . 4.220 3.894 3.472 4.311 0.091 15 0 "[ . 1 . 2]" 1
67 1 60 THR MG 1 61 GLU QG . . 4.350 4.238 4.074 4.356 0.006 20 0 "[ . 1 . 2]" 1
68 1 64 PHE QB 1 65 VAL MG2 . . 5.260 4.935 4.803 5.124 . 0 0 "[ . 1 . 2]" 1
69 1 65 VAL H 1 65 VAL MG1 . . 3.110 2.886 2.370 3.076 . 0 0 "[ . 1 . 2]" 1
70 1 64 PHE H 1 65 VAL MG1 . . 4.130 3.550 3.488 3.613 . 0 0 "[ . 1 . 2]" 1
71 1 65 VAL MG1 1 66 GLU H . . 3.610 3.449 3.441 3.460 . 0 0 "[ . 1 . 2]" 1
72 1 66 GLU HA 1 66 GLU HG2 . . 3.810 2.583 2.282 2.788 . 0 0 "[ . 1 . 2]" 1
73 1 66 GLU HA 1 66 GLU HG3 . . 3.810 3.606 3.301 3.798 . 0 0 "[ . 1 . 2]" 1
74 1 68 ILE HB 1 68 ILE MD . . 3.120 2.318 2.136 2.443 . 0 0 "[ . 1 . 2]" 1
75 1 65 VAL MG2 1 68 ILE H . . 4.280 3.404 3.195 3.690 . 0 0 "[ . 1 . 2]" 1
76 1 68 ILE H 1 68 ILE MG . . 4.620 3.770 3.765 3.776 . 0 0 "[ . 1 . 2]" 1
77 1 68 ILE MG 1 97 ALA H . . 4.510 4.243 3.899 4.539 0.029 13 0 "[ . 1 . 2]" 1
78 1 35 LYS H 1 68 ILE MG . . 3.580 2.446 2.313 2.550 . 0 0 "[ . 1 . 2]" 1
79 1 65 VAL MG2 1 66 GLU H . . 3.430 3.123 3.086 3.160 . 0 0 "[ . 1 . 2]" 1
80 1 68 ILE MG 1 95 PHE H . . 4.180 4.002 3.828 4.152 . 0 0 "[ . 1 . 2]" 1
81 1 69 TYR HA 1 69 TYR QR . . 4.250 2.377 2.228 2.507 . 0 0 "[ . 1 . 2]" 1
82 1 72 GLU H 1 72 GLU HG3 . . 4.530 4.070 3.861 4.408 . 0 0 "[ . 1 . 2]" 1
83 1 72 GLU H 1 72 GLU HG2 . . 4.530 2.927 2.435 3.930 . 0 0 "[ . 1 . 2]" 1
84 1 72 GLU HG3 1 73 ILE H . . 4.520 3.407 2.389 3.930 . 0 0 "[ . 1 . 2]" 1
85 1 71 VAL HB 1 72 GLU H . . 4.820 4.086 3.898 4.262 . 0 0 "[ . 1 . 2]" 1
86 1 73 ILE HB 1 73 ILE MD . . 3.420 2.147 2.017 2.220 . 0 0 "[ . 1 . 2]" 1
87 1 73 ILE H 1 73 ILE MD . . 3.810 2.991 2.535 3.242 . 0 0 "[ . 1 . 2]" 1
88 1 73 ILE MD 1 109 ALA H . . 4.880 4.534 4.339 4.842 . 0 0 "[ . 1 . 2]" 1
89 1 73 ILE MD 1 93 VAL H . . 4.510 4.153 3.764 4.522 0.012 7 0 "[ . 1 . 2]" 1
90 1 72 GLU H 1 73 ILE MD . . 5.320 4.903 4.339 5.330 0.010 17 0 "[ . 1 . 2]" 1
91 1 73 ILE MD 1 92 GLU HA . . 4.520 2.927 2.507 3.332 . 0 0 "[ . 1 . 2]" 1
92 1 72 GLU HA 1 73 ILE MD . . 4.210 3.623 3.105 3.975 . 0 0 "[ . 1 . 2]" 1
93 1 73 ILE MD 1 109 ALA MB . . 2.920 1.844 1.753 2.089 . 0 0 "[ . 1 . 2]" 1
94 1 74 ASP HB3 1 75 THR H . . 4.710 4.127 3.861 4.363 . 0 0 "[ . 1 . 2]" 1
95 1 75 THR HA 1 75 THR MG . . 3.710 2.491 2.271 3.198 . 0 0 "[ . 1 . 2]" 1
96 1 76 LYS HA 1 76 LYS QD . . 3.950 3.746 3.552 3.855 . 0 0 "[ . 1 . 2]" 1
97 1 76 LYS HA 1 76 LYS HG3 . . 3.730 3.600 3.578 3.635 . 0 0 "[ . 1 . 2]" 1
98 1 76 LYS H 1 76 LYS QD . . 4.310 3.842 3.629 4.245 . 0 0 "[ . 1 . 2]" 1
99 1 76 LYS QB 1 76 LYS QE . . 3.590 2.617 2.254 3.622 0.032 12 0 "[ . 1 . 2]" 1
100 1 76 LYS H 1 76 LYS QE . . 4.870 4.684 3.807 4.878 0.008 17 0 "[ . 1 . 2]" 1
101 1 76 LYS H 1 76 LYS HG3 . . 4.330 2.118 1.852 2.613 . 0 0 "[ . 1 . 2]" 1
102 1 76 LYS H 1 76 LYS HG2 . . 4.240 3.189 3.053 3.417 . 0 0 "[ . 1 . 2]" 1
103 1 76 LYS HG2 1 77 SER H . . 4.640 3.655 3.517 3.983 . 0 0 "[ . 1 . 2]" 1
104 1 80 LYS H 1 80 LYS HG2 . . 4.840 3.335 3.201 3.466 . 0 0 "[ . 1 . 2]" 1
105 1 39 ASP H 1 40 THR HA . . 5.420 5.257 5.240 5.286 . 0 0 "[ . 1 . 2]" 1
106 1 78 TYR HA 1 80 LYS H . . 4.560 4.169 3.903 4.342 . 0 0 "[ . 1 . 2]" 1
107 1 80 LYS HA 1 80 LYS QD . . 3.720 3.628 3.475 3.752 0.032 6 0 "[ . 1 . 2]" 1
108 1 84 ILE HA 1 84 ILE HG13 . . 3.930 3.798 3.783 3.803 . 0 0 "[ . 1 . 2]" 1
109 1 80 LYS HA 1 80 LYS HG3 . . 3.950 3.582 3.566 3.602 . 0 0 "[ . 1 . 2]" 1
110 1 80 LYS QD 1 80 LYS HG2 . . 2.780 2.429 2.375 2.467 . 0 0 "[ . 1 . 2]" 1
111 1 80 LYS H 1 80 LYS QD . . 4.390 4.267 4.201 4.362 . 0 0 "[ . 1 . 2]" 1
112 1 80 LYS HB2 1 80 LYS QE . . 3.240 2.245 1.968 2.404 . 0 0 "[ . 1 . 2]" 1
113 1 76 LYS QE 1 76 LYS HG2 . . 3.220 2.398 1.985 2.842 . 0 0 "[ . 1 . 2]" 1
114 1 80 LYS QE 1 80 LYS HG2 . . 3.430 2.282 2.109 2.465 . 0 0 "[ . 1 . 2]" 1
115 1 76 LYS QE 1 77 SER H . . 4.980 4.011 2.514 4.509 . 0 0 "[ . 1 . 2]" 1
116 1 81 ALA HA 1 83 GLY H . . 4.210 3.912 3.691 4.208 . 0 0 "[ . 1 . 2]" 1
117 1 78 TYR HA 1 81 ALA MB . . 3.590 2.725 2.379 2.963 . 0 0 "[ . 1 . 2]" 1
118 1 80 LYS H 1 81 ALA MB . . 4.060 4.016 3.893 4.120 0.060 19 0 "[ . 1 . 2]" 1
119 1 82 LEU HB3 1 82 LEU MD1 . . 3.060 2.515 2.485 2.558 . 0 0 "[ . 1 . 2]" 1
120 1 82 LEU HA 1 82 LEU MD1 . . 2.760 2.031 1.967 2.089 . 0 0 "[ . 1 . 2]" 1
121 1 82 LEU H 1 82 LEU MD1 . . 3.430 3.125 2.979 3.202 . 0 0 "[ . 1 . 2]" 1
122 1 79 TRP HA 1 82 LEU MD2 . . 3.690 3.460 2.865 3.839 0.149 12 0 "[ . 1 . 2]" 1
123 1 82 LEU H 1 82 LEU MD2 . . 3.510 2.075 2.023 2.134 . 0 0 "[ . 1 . 2]" 1
124 1 82 LEU HA 1 82 LEU HG . . 4.040 3.682 3.657 3.691 . 0 0 "[ . 1 . 2]" 1
125 1 82 LEU H 1 82 LEU HG . . 4.290 4.100 4.043 4.152 . 0 0 "[ . 1 . 2]" 1
126 1 84 ILE MD 1 84 ILE MG . . 2.860 2.099 2.016 2.147 . 0 0 "[ . 1 . 2]" 1
127 1 82 LEU HB2 1 84 ILE MD . . 3.250 2.479 2.145 2.701 . 0 0 "[ . 1 . 2]" 1
128 1 82 LEU HB2 1 84 ILE HG13 . . 4.290 2.888 2.789 3.174 . 0 0 "[ . 1 . 2]" 1
129 1 82 LEU MD2 1 84 ILE HG12 . . 4.340 3.394 3.108 3.513 . 0 0 "[ . 1 . 2]" 1
130 1 84 ILE HG12 1 84 ILE MG . . 3.450 3.193 3.188 3.199 . 0 0 "[ . 1 . 2]" 1
131 1 84 ILE HG13 1 84 ILE MG . . 3.660 2.280 2.244 2.324 . 0 0 "[ . 1 . 2]" 1
132 1 84 ILE HA 1 84 ILE MG . . 3.500 2.189 2.164 2.235 . 0 0 "[ . 1 . 2]" 1
133 1 87 MET ME 1 114 TYR QD . . 3.710 2.374 1.896 3.524 . 0 0 "[ . 1 . 2]" 1
134 1 87 MET ME 1 114 TYR HB2 . . 4.440 3.336 1.904 4.208 . 0 0 "[ . 1 . 2]" 1
135 1 9 LYS HB2 1 10 CYS H . . 4.080 2.676 1.948 4.004 . 0 0 "[ . 1 . 2]" 1
136 1 126 LYS HB2 1 127 GLU H . . 4.340 4.158 4.044 4.361 0.021 13 0 "[ . 1 . 2]" 1
137 1 126 LYS HB3 1 127 GLU H . . 4.390 3.958 3.919 4.026 . 0 0 "[ . 1 . 2]" 1
138 1 126 LYS H 1 126 LYS QG . . 4.830 3.328 3.295 3.417 . 0 0 "[ . 1 . 2]" 1
139 1 73 ILE MG 1 90 HIS HA . . 5.080 4.528 2.852 5.112 0.032 10 0 "[ . 1 . 2]" 1
140 1 75 THR H 1 90 HIS HA . . 4.530 4.186 3.367 4.599 0.069 18 0 "[ . 1 . 2]" 1
141 1 73 ILE H 1 92 GLU HA . . 4.460 3.705 3.276 4.447 . 0 0 "[ . 1 . 2]" 1
142 1 93 VAL H 1 93 VAL HB . . 4.020 2.691 2.499 2.867 . 0 0 "[ . 1 . 2]" 1
143 1 93 VAL MG1 1 107 ILE MG . . 3.410 2.980 2.444 3.386 . 0 0 "[ . 1 . 2]" 1
144 1 93 VAL MG1 1 94 VAL H . . 3.330 2.896 2.757 3.050 . 0 0 "[ . 1 . 2]" 1
145 1 93 VAL H 1 93 VAL MG2 . . 3.540 2.779 2.521 3.034 . 0 0 "[ . 1 . 2]" 1
146 1 93 VAL HA 1 94 VAL HB . . 4.940 4.714 4.635 4.797 . 0 0 "[ . 1 . 2]" 1
147 1 94 VAL HA 1 94 VAL MG1 . . 3.280 2.309 2.216 2.379 . 0 0 "[ . 1 . 2]" 1
148 1 94 VAL HA 1 94 VAL MG2 . . 3.200 2.349 2.272 2.396 . 0 0 "[ . 1 . 2]" 1
149 1 94 VAL H 1 94 VAL MG2 . . 3.400 2.835 2.664 2.924 . 0 0 "[ . 1 . 2]" 1
150 1 96 THR HA 1 96 THR MG . . 3.270 3.194 3.181 3.204 . 0 0 "[ . 1 . 2]" 1
151 1 96 THR H 1 96 THR MG . . 3.540 2.060 1.916 2.137 . 0 0 "[ . 1 . 2]" 1
152 1 31 HIS H 1 32 VAL MG2 . . 4.440 4.222 4.095 4.315 . 0 0 "[ . 1 . 2]" 1
153 1 106 THR MG 1 107 ILE H . . 3.550 2.325 2.180 2.490 . 0 0 "[ . 1 . 2]" 1
154 1 107 ILE HG13 1 107 ILE MG . . 3.690 2.747 2.634 2.823 . 0 0 "[ . 1 . 2]" 1
155 1 107 ILE MD 1 107 ILE MG . . 3.640 3.095 3.037 3.173 . 0 0 "[ . 1 . 2]" 1
156 1 107 ILE HG12 1 107 ILE MG . . 3.690 1.977 1.947 2.046 . 0 0 "[ . 1 . 2]" 1
157 1 14 VAL HA 1 107 ILE MG . . 4.200 3.665 3.538 3.796 . 0 0 "[ . 1 . 2]" 1
158 1 108 ALA H 1 108 ALA MB . . 3.290 2.225 2.139 2.318 . 0 0 "[ . 1 . 2]" 1
159 1 20 VAL H 1 20 VAL MG2 . . 3.170 2.261 2.051 2.446 . 0 0 "[ . 1 . 2]" 1
160 1 19 ALA H 1 110 MET ME . . 3.960 3.520 3.232 3.705 . 0 0 "[ . 1 . 2]" 1
161 1 17 LEU H 1 110 MET ME . . 5.200 5.123 4.949 5.210 0.010 19 0 "[ . 1 . 2]" 1
162 1 110 MET HB3 1 111 LEU MD1 . . 5.250 5.158 4.958 5.255 0.005 15 0 "[ . 1 . 2]" 1
163 1 111 LEU HA 1 111 LEU MD1 . . 4.470 2.055 2.017 2.119 . 0 0 "[ . 1 . 2]" 1
164 1 17 LEU H 1 111 LEU MD1 . . 4.660 4.536 4.348 4.665 0.005 15 0 "[ . 1 . 2]" 1
165 1 109 ALA MB 1 111 LEU MD2 . . 3.640 3.628 3.542 3.660 0.020 2 0 "[ . 1 . 2]" 1
166 1 17 LEU HA 1 111 LEU MD2 . . 3.830 3.345 3.251 3.399 . 0 0 "[ . 1 . 2]" 1
167 1 7 GLU H 1 8 SER HA . . 5.130 4.919 4.348 5.151 0.021 14 0 "[ . 1 . 2]" 1
168 1 126 LYS QD 1 127 GLU HA . . 4.390 4.140 3.693 4.397 0.007 9 0 "[ . 1 . 2]" 1
169 1 33 PHE QD 1 42 GLU HB2 . . 5.010 4.688 4.645 4.718 . 0 0 "[ . 1 . 2]" 1
170 1 13 MET HG3 1 15 LYS HB2 . . 4.620 4.545 4.406 4.627 0.007 15 0 "[ . 1 . 2]" 1
171 1 2 PRO HB3 1 3 THR MG . . 4.620 4.417 4.227 4.465 . 0 0 "[ . 1 . 2]" 1
172 1 33 PHE QE 1 43 PRO HB3 . . 4.460 3.469 3.389 3.552 . 0 0 "[ . 1 . 2]" 1
173 1 3 THR MG 1 4 GLY H . . 4.000 3.857 3.629 4.005 0.005 14 0 "[ . 1 . 2]" 1
174 1 7 GLU HB3 1 7 GLU QG . . 2.760 2.256 2.132 2.521 . 0 0 "[ . 1 . 2]" 1
175 1 7 GLU QG 1 8 SER H . . 4.410 2.908 1.931 4.426 0.016 4 0 "[ . 1 . 2]" 1
176 1 7 GLU H 1 7 GLU QG . . 4.300 3.442 1.919 4.300 0.000 18 0 "[ . 1 . 2]" 1
177 1 7 GLU QG 1 8 SER HA . . 4.750 4.251 3.238 4.762 0.012 14 0 "[ . 1 . 2]" 1
178 1 79 TRP HA 1 84 ILE MD . . 4.520 4.236 3.885 4.542 0.022 15 0 "[ . 1 . 2]" 1
179 1 9 LYS HA 1 9 LYS QD . . 3.900 3.305 2.190 3.849 . 0 0 "[ . 1 . 2]" 1
180 1 126 LYS QE 1 126 LYS QG . . 3.100 2.367 2.038 2.828 . 0 0 "[ . 1 . 2]" 1
181 1 125 PRO HB2 1 126 LYS QE . . 3.960 3.584 3.060 3.905 . 0 0 "[ . 1 . 2]" 1
182 1 9 LYS HG3 1 10 CYS H . . 4.600 4.049 2.857 4.621 0.021 17 0 "[ . 1 . 2]" 1
183 1 9 LYS HG2 1 10 CYS H . . 4.600 3.731 1.926 4.565 . 0 0 "[ . 1 . 2]" 1
184 1 79 TRP H 1 82 LEU MD2 . . 4.980 4.684 4.519 4.853 . 0 0 "[ . 1 . 2]" 1
185 1 81 ALA H 1 82 LEU MD2 . . 3.540 3.379 3.324 3.416 . 0 0 "[ . 1 . 2]" 1
186 1 78 TYR HA 1 82 LEU MD2 . . 4.410 3.466 2.852 3.901 . 0 0 "[ . 1 . 2]" 1
187 1 110 MET HG2 1 111 LEU MD2 . . 4.740 4.709 4.658 4.742 0.002 15 0 "[ . 1 . 2]" 1
188 1 12 LEU HA 1 12 LEU MD2 . . 4.060 2.692 1.936 4.012 . 0 0 "[ . 1 . 2]" 1
189 1 12 LEU H 1 12 LEU MD2 . . 4.620 4.225 4.074 4.280 . 0 0 "[ . 1 . 2]" 1
190 1 12 LEU HA 1 13 MET QB . . 4.790 4.395 4.294 4.498 . 0 0 "[ . 1 . 2]" 1
191 1 13 MET QB 1 14 VAL HA . . 5.220 4.552 4.517 4.577 . 0 0 "[ . 1 . 2]" 1
192 1 13 MET QB 1 106 THR HA . . 4.460 4.345 4.202 4.446 . 0 0 "[ . 1 . 2]" 1
193 1 13 MET QB 1 14 VAL MG2 . . 5.370 4.559 4.493 4.623 . 0 0 "[ . 1 . 2]" 1
194 1 13 MET ME 1 54 GLU QB . . 3.120 2.881 2.510 3.120 0.000 17 0 "[ . 1 . 2]" 1
195 1 43 PRO HB2 1 45 ALA H . . 5.080 4.616 4.494 4.874 . 0 0 "[ . 1 . 2]" 1
196 1 12 LEU HA 1 13 MET HG2 . . 4.480 4.251 4.108 4.417 . 0 0 "[ . 1 . 2]" 1
197 1 13 MET HA 1 13 MET HG2 . . 4.060 3.944 3.918 3.982 . 0 0 "[ . 1 . 2]" 1
198 1 13 MET HG2 1 14 VAL H . . 5.160 5.105 5.082 5.145 . 0 0 "[ . 1 . 2]" 1
199 1 13 MET H 1 13 MET HG2 . . 4.150 2.869 2.796 2.971 . 0 0 "[ . 1 . 2]" 1
200 1 14 VAL MG1 1 15 LYS H . . 3.140 2.535 2.055 2.804 . 0 0 "[ . 1 . 2]" 1
201 1 14 VAL MG1 1 107 ILE H . . 4.770 4.420 4.240 4.681 . 0 0 "[ . 1 . 2]" 1
202 1 14 VAL MG2 1 107 ILE H . . 5.010 4.147 4.024 4.278 . 0 0 "[ . 1 . 2]" 1
203 1 30 VAL MG2 1 49 THR H . . 3.380 2.744 2.544 3.099 . 0 0 "[ . 1 . 2]" 1
204 1 14 VAL H 1 14 VAL MG2 . . 3.790 2.585 2.475 2.756 . 0 0 "[ . 1 . 2]" 1
205 1 30 VAL MG2 1 48 LYS HA . . 3.980 3.139 2.873 3.549 . 0 0 "[ . 1 . 2]" 1
206 1 14 VAL HA 1 14 VAL MG1 . . 3.400 2.387 2.302 2.416 . 0 0 "[ . 1 . 2]" 1
207 1 14 VAL HA 1 14 VAL MG2 . . 3.610 2.359 2.275 2.433 . 0 0 "[ . 1 . 2]" 1
208 1 30 VAL MG2 1 49 THR HB . . 5.160 4.416 4.356 4.537 . 0 0 "[ . 1 . 2]" 1
209 1 14 VAL MG1 1 49 THR HA . . 4.740 4.219 4.041 4.475 . 0 0 "[ . 1 . 2]" 1
210 1 30 VAL MG2 1 49 THR HA . . 5.040 4.067 3.852 4.254 . 0 0 "[ . 1 . 2]" 1
211 1 14 VAL MG1 1 107 ILE HB . . 3.180 2.702 2.506 2.943 . 0 0 "[ . 1 . 2]" 1
212 1 14 VAL MG2 1 107 ILE HB . . 3.490 3.046 2.851 3.213 . 0 0 "[ . 1 . 2]" 1
213 1 30 VAL MG2 1 73 ILE HG12 . . 3.140 2.580 2.041 3.048 . 0 0 "[ . 1 . 2]" 1
214 1 14 VAL MG1 1 49 THR MG . . 3.050 2.234 2.094 2.443 . 0 0 "[ . 1 . 2]" 1
215 1 30 VAL MG2 1 49 THR MG . . 3.180 1.914 1.850 2.022 . 0 0 "[ . 1 . 2]" 1
216 1 14 VAL MG2 1 107 ILE MD . . 3.210 2.107 1.923 2.578 . 0 0 "[ . 1 . 2]" 1
217 1 72 GLU HA 1 92 GLU HB3 . . 3.680 2.779 2.229 3.169 . 0 0 "[ . 1 . 2]" 1
218 1 13 MET ME 1 15 LYS HA . . 4.140 3.154 2.983 3.220 . 0 0 "[ . 1 . 2]" 1
219 1 15 LYS HA 1 109 ALA MB . . 5.500 5.470 5.390 5.516 0.016 14 0 "[ . 1 . 2]" 1
220 1 15 LYS HA 1 49 THR MG . . 4.400 4.260 4.162 4.403 0.003 17 0 "[ . 1 . 2]" 1
221 1 13 MET ME 1 15 LYS HB2 . . 3.960 2.094 1.961 2.208 . 0 0 "[ . 1 . 2]" 1
222 1 27 ASN HB2 1 48 LYS HD3 . . 5.460 5.145 5.059 5.326 . 0 0 "[ . 1 . 2]" 1
223 1 14 VAL MG1 1 15 LYS QD . . 5.500 5.386 5.291 5.511 0.011 5 0 "[ . 1 . 2]" 1
224 1 15 LYS QD 1 16 VAL MG2 . . 5.500 5.323 5.274 5.415 . 0 0 "[ . 1 . 2]" 1
225 1 28 VAL HA 1 48 LYS HG2 . . 4.370 3.708 3.609 3.775 . 0 0 "[ . 1 . 2]" 1
226 1 15 LYS HA 1 15 LYS QG . . 3.880 3.042 3.027 3.058 . 0 0 "[ . 1 . 2]" 1
227 1 29 ALA H 1 48 LYS HG2 . . 4.490 3.176 3.087 3.317 . 0 0 "[ . 1 . 2]" 1
228 1 16 VAL HB 1 53 GLY HA2 . . 4.610 4.586 4.492 4.676 0.066 14 0 "[ . 1 . 2]" 1
229 1 16 VAL MG1 1 17 LEU HB3 . . 4.980 4.801 4.766 4.859 . 0 0 "[ . 1 . 2]" 1
230 1 16 VAL MG1 1 109 ALA MB . . 3.250 2.830 2.711 2.944 . 0 0 "[ . 1 . 2]" 1
231 1 16 VAL MG1 1 25 ALA MB . . 3.030 2.016 1.869 2.147 . 0 0 "[ . 1 . 2]" 1
232 1 16 VAL MG1 1 28 VAL MG2 . . 3.340 2.402 2.069 2.596 . 0 0 "[ . 1 . 2]" 1
233 1 16 VAL MG1 1 111 LEU MD1 . . 3.290 2.712 2.516 2.823 . 0 0 "[ . 1 . 2]" 1
234 1 16 VAL MG1 1 17 LEU HA . . 4.030 3.525 3.411 3.619 . 0 0 "[ . 1 . 2]" 1
235 1 16 VAL MG1 1 24 PRO HA . . 5.290 4.935 4.757 5.062 . 0 0 "[ . 1 . 2]" 1
236 1 16 VAL MG1 1 28 VAL HA . . 5.050 4.964 4.763 5.083 0.033 17 0 "[ . 1 . 2]" 1
237 1 16 VAL H 1 16 VAL MG1 . . 4.030 3.866 3.846 3.882 . 0 0 "[ . 1 . 2]" 1
238 1 16 VAL MG1 1 17 LEU H . . 3.580 2.686 2.539 2.864 . 0 0 "[ . 1 . 2]" 1
239 1 16 VAL MG1 1 28 VAL H . . 5.500 5.355 5.149 5.494 . 0 0 "[ . 1 . 2]" 1
240 1 16 VAL MG1 1 25 ALA H . . 4.380 3.528 3.327 3.703 . 0 0 "[ . 1 . 2]" 1
241 1 30 VAL MG1 1 73 ILE HG12 . . 3.410 3.388 3.253 3.433 0.023 8 0 "[ . 1 . 2]" 1
242 1 30 VAL MG1 1 73 ILE HG13 . . 3.230 2.779 2.322 3.088 . 0 0 "[ . 1 . 2]" 1
243 1 25 ALA MB 1 111 LEU MD2 . . 3.230 2.373 2.250 2.458 . 0 0 "[ . 1 . 2]" 1
244 1 30 VAL MG1 1 31 HIS HB2 . . 4.970 4.669 4.579 4.767 . 0 0 "[ . 1 . 2]" 1
245 1 30 VAL MG1 1 31 HIS HB3 . . 5.360 5.234 5.157 5.340 . 0 0 "[ . 1 . 2]" 1
246 1 110 MET HG3 1 111 LEU MD2 . . 5.500 5.534 5.516 5.549 0.049 7 0 "[ . 1 . 2]" 1
247 1 30 VAL MG1 1 32 VAL HB . . 5.460 5.057 5.011 5.116 . 0 0 "[ . 1 . 2]" 1
248 1 15 LYS HA 1 16 VAL MG2 . . 4.210 3.782 3.729 3.855 . 0 0 "[ . 1 . 2]" 1
249 1 30 VAL HA 1 30 VAL MG1 . . 3.230 2.337 2.233 2.391 . 0 0 "[ . 1 . 2]" 1
250 1 16 VAL MG2 1 53 GLY HA2 . . 5.300 5.070 4.990 5.191 . 0 0 "[ . 1 . 2]" 1
251 1 30 VAL MG1 1 32 VAL H . . 4.020 4.007 3.883 4.068 0.048 17 0 "[ . 1 . 2]" 1
252 1 17 LEU H 1 111 LEU MD2 . . 3.480 2.824 2.723 2.909 . 0 0 "[ . 1 . 2]" 1
253 1 30 VAL H 1 30 VAL MG1 . . 3.940 3.919 3.880 3.948 0.008 13 0 "[ . 1 . 2]" 1
254 1 17 LEU HB3 1 110 MET ME . . 5.420 5.043 4.796 5.139 . 0 0 "[ . 1 . 2]" 1
255 1 17 LEU H 1 17 LEU MD1 . . 4.690 4.130 4.090 4.157 . 0 0 "[ . 1 . 2]" 1
256 1 17 LEU H 1 17 LEU MD2 . . 4.690 3.351 3.247 3.509 . 0 0 "[ . 1 . 2]" 1
257 1 17 LEU MD1 1 110 MET HA . . 4.150 3.881 3.783 3.982 . 0 0 "[ . 1 . 2]" 1
258 1 17 LEU MD2 1 110 MET HA . . 4.150 3.916 3.864 3.983 . 0 0 "[ . 1 . 2]" 1
259 1 17 LEU HA 1 17 LEU MD1 . . 4.130 3.567 3.434 3.634 . 0 0 "[ . 1 . 2]" 1
260 1 17 LEU MD1 1 110 MET HB3 . . 4.600 4.000 3.978 4.021 . 0 0 "[ . 1 . 2]" 1
261 1 17 LEU MD2 1 110 MET HB3 . . 4.600 4.633 4.612 4.668 0.068 20 0 "[ . 1 . 2]" 1
262 1 17 LEU MD1 1 110 MET HB2 . . 5.500 5.135 5.062 5.198 . 0 0 "[ . 1 . 2]" 1
263 1 17 LEU MD2 1 110 MET HB2 . . 5.500 4.969 4.890 5.037 . 0 0 "[ . 1 . 2]" 1
264 1 19 ALA HA 1 22 GLY HA2 . . 4.110 3.223 2.851 3.476 . 0 0 "[ . 1 . 2]" 1
265 1 19 ALA HA 1 110 MET HB3 . . 4.150 3.794 3.648 3.875 . 0 0 "[ . 1 . 2]" 1
266 1 19 ALA MB 1 110 MET HB3 . . 3.410 2.033 1.952 2.156 . 0 0 "[ . 1 . 2]" 1
267 1 19 ALA MB 1 22 GLY HA2 . . 5.000 4.714 4.375 4.955 . 0 0 "[ . 1 . 2]" 1
268 1 18 ASP HA 1 19 ALA MB . . 4.050 3.937 3.902 3.982 . 0 0 "[ . 1 . 2]" 1
269 1 19 ALA MB 1 21 ARG H . . 5.250 4.891 4.804 4.983 . 0 0 "[ . 1 . 2]" 1
270 1 19 ALA MB 1 112 SER H . . 4.250 3.077 2.685 3.820 . 0 0 "[ . 1 . 2]" 1
271 1 21 ARG HB2 1 23 SER HB2 . . 4.520 4.333 4.208 4.414 . 0 0 "[ . 1 . 2]" 1
272 1 19 ALA MB 1 20 VAL HA . . 4.130 3.941 3.833 4.016 . 0 0 "[ . 1 . 2]" 1
273 1 20 VAL HA 1 22 GLY H . . 4.880 4.771 4.690 4.892 0.012 19 0 "[ . 1 . 2]" 1
274 1 73 ILE HB 1 109 ALA MB . . 4.340 3.960 3.611 4.348 0.008 20 0 "[ . 1 . 2]" 1
275 1 20 VAL MG2 1 84 ILE MG . . 4.070 3.807 3.335 4.099 0.029 20 0 "[ . 1 . 2]" 1
276 1 20 VAL HA 1 20 VAL MG2 . . 3.100 2.344 2.259 2.475 . 0 0 "[ . 1 . 2]" 1
277 1 108 ALA HA 1 109 ALA MB . . 4.170 4.048 3.993 4.063 . 0 0 "[ . 1 . 2]" 1
278 1 92 GLU HA 1 109 ALA MB . . 5.250 4.668 3.881 5.263 0.013 12 0 "[ . 1 . 2]" 1
279 1 19 ALA H 1 20 VAL MG2 . . 4.220 3.605 3.304 3.982 . 0 0 "[ . 1 . 2]" 1
280 1 94 VAL MG1 1 95 PHE H . . 3.330 2.922 2.583 3.071 . 0 0 "[ . 1 . 2]" 1
281 1 20 VAL H 1 20 VAL MG1 . . 3.980 3.778 3.756 3.793 . 0 0 "[ . 1 . 2]" 1
282 1 20 VAL MG1 1 21 ARG H . . 3.550 3.476 3.182 3.571 0.021 13 0 "[ . 1 . 2]" 1
283 1 20 VAL HA 1 20 VAL MG1 . . 2.970 2.337 2.215 2.399 . 0 0 "[ . 1 . 2]" 1
284 1 20 VAL MG1 1 21 ARG HG2 . . 4.030 3.776 3.335 4.041 0.011 16 0 "[ . 1 . 2]" 1
285 1 32 VAL MG1 1 71 VAL MG2 . . 2.780 1.928 1.833 2.027 . 0 0 "[ . 1 . 2]" 1
286 1 14 VAL MG2 1 71 VAL MG2 . . 3.130 2.909 2.577 3.131 0.001 9 0 "[ . 1 . 2]" 1
287 1 71 VAL MG2 1 107 ILE MG . . 3.510 3.025 2.777 3.372 . 0 0 "[ . 1 . 2]" 1
288 1 2 PRO HB3 1 3 THR H . . 4.350 3.447 3.207 4.385 0.035 17 0 "[ . 1 . 2]" 1
289 1 21 ARG QD 1 23 SER H . . 4.550 3.553 3.411 3.683 . 0 0 "[ . 1 . 2]" 1
290 1 20 VAL HA 1 21 ARG QD . . 4.710 4.509 4.344 4.728 0.018 20 0 "[ . 1 . 2]" 1
291 1 21 ARG QD 1 22 GLY HA2 . . 5.500 5.509 5.380 5.525 0.025 5 0 "[ . 1 . 2]" 1
292 1 21 ARG QD 1 23 SER HB3 . . 5.500 5.334 5.118 5.503 0.003 17 0 "[ . 1 . 2]" 1
293 1 21 ARG QD 1 84 ILE MD . . 5.120 5.022 4.722 5.136 0.016 16 0 "[ . 1 . 2]" 1
294 1 21 ARG HA 1 21 ARG HG3 . . 4.010 2.641 2.615 2.677 . 0 0 "[ . 1 . 2]" 1
295 1 21 ARG HG3 1 22 GLY H . . 4.580 4.509 4.378 4.567 . 0 0 "[ . 1 . 2]" 1
296 1 21 ARG H 1 21 ARG HG2 . . 4.340 4.100 4.001 4.151 . 0 0 "[ . 1 . 2]" 1
297 1 20 VAL HB 1 21 ARG HG2 . . 4.560 4.427 4.323 4.504 . 0 0 "[ . 1 . 2]" 1
298 1 23 SER HB2 1 24 PRO HG2 . . 4.690 3.812 3.736 3.976 . 0 0 "[ . 1 . 2]" 1
299 1 23 SER HB3 1 24 PRO HG2 . . 4.690 4.585 4.389 4.687 . 0 0 "[ . 1 . 2]" 1
300 1 24 PRO HA 1 51 GLU HA . . 5.500 5.330 5.246 5.439 . 0 0 "[ . 1 . 2]" 1
301 1 17 LEU H 1 24 PRO HA . . 4.770 4.642 4.586 4.713 . 0 0 "[ . 1 . 2]" 1
302 1 17 LEU HB2 1 24 PRO HA . . 4.000 2.443 2.188 2.653 . 0 0 "[ . 1 . 2]" 1
303 1 18 ASP HA 1 110 MET HB3 . . 5.040 5.011 4.918 5.051 0.011 13 0 "[ . 1 . 2]" 1
304 1 80 LYS HB2 1 81 ALA H . . 4.390 4.279 4.252 4.313 . 0 0 "[ . 1 . 2]" 1
305 1 24 PRO HB2 1 52 SER H . . 4.610 4.468 4.384 4.516 . 0 0 "[ . 1 . 2]" 1
306 1 24 PRO HB2 1 52 SER HA . . 4.550 4.572 4.543 4.610 0.060 15 0 "[ . 1 . 2]" 1
307 1 24 PRO HB2 1 53 GLY HA2 . . 4.640 3.806 3.720 3.863 . 0 0 "[ . 1 . 2]" 1
308 1 23 SER HA 1 24 PRO HD2 . . 3.450 2.538 2.529 2.544 . 0 0 "[ . 1 . 2]" 1
309 1 17 LEU HB2 1 24 PRO HD3 . . 4.530 4.294 4.185 4.375 . 0 0 "[ . 1 . 2]" 1
310 1 25 ALA MB 1 28 VAL HB . . 4.010 3.565 3.393 3.709 . 0 0 "[ . 1 . 2]" 1
311 1 25 ALA MB 1 111 LEU HG . . 4.360 3.731 3.668 3.803 . 0 0 "[ . 1 . 2]" 1
312 1 17 LEU HA 1 25 ALA MB . . 4.120 2.932 2.672 3.088 . 0 0 "[ . 1 . 2]" 1
313 1 24 PRO HA 1 25 ALA MB . . 4.150 3.955 3.930 3.972 . 0 0 "[ . 1 . 2]" 1
314 1 25 ALA MB 1 49 THR HB . . 4.820 4.406 4.178 4.517 . 0 0 "[ . 1 . 2]" 1
315 1 26 ILE HA 1 51 GLU HA . . 4.320 3.954 3.922 4.000 . 0 0 "[ . 1 . 2]" 1
316 1 26 ILE HA 1 48 LYS QB . . 5.500 5.563 5.533 5.596 0.096 17 0 "[ . 1 . 2]" 1
317 1 26 ILE HA 1 49 THR MG . . 5.500 5.401 5.287 5.445 . 0 0 "[ . 1 . 2]" 1
318 1 25 ALA HA 1 26 ILE HB . . 4.480 4.258 4.252 4.266 . 0 0 "[ . 1 . 2]" 1
319 1 26 ILE H 1 26 ILE MD . . 4.480 4.391 4.377 4.431 . 0 0 "[ . 1 . 2]" 1
320 1 26 ILE MD 1 50 SER H . . 4.970 4.594 4.569 4.687 . 0 0 "[ . 1 . 2]" 1
321 1 26 ILE MD 1 53 GLY H . . 5.190 5.083 5.064 5.101 . 0 0 "[ . 1 . 2]" 1
322 1 26 ILE MD 1 51 GLU HA . . 3.190 2.993 2.967 3.009 . 0 0 "[ . 1 . 2]" 1
323 1 26 ILE MD 1 51 GLU QB . . 3.320 1.978 1.967 1.995 . 0 0 "[ . 1 . 2]" 1
324 1 26 ILE HG13 1 51 GLU QB . . 4.530 2.272 2.217 2.297 . 0 0 "[ . 1 . 2]" 1
325 1 25 ALA MB 1 26 ILE MG . . 5.220 5.134 5.109 5.163 . 0 0 "[ . 1 . 2]" 1
326 1 26 ILE MG 1 27 ASN HA . . 3.690 3.507 3.486 3.517 . 0 0 "[ . 1 . 2]" 1
327 1 26 ILE MG 1 27 ASN HB3 . . 3.780 3.764 3.758 3.768 . 0 0 "[ . 1 . 2]" 1
328 1 26 ILE MG 1 50 SER HA . . 4.080 4.150 4.133 4.164 0.084 14 0 "[ . 1 . 2]" 1
329 1 26 ILE MG 1 27 ASN H . . 3.450 2.318 2.279 2.348 . 0 0 "[ . 1 . 2]" 1
330 1 26 ILE MG 1 28 VAL H . . 4.680 4.665 4.624 4.693 0.013 12 0 "[ . 1 . 2]" 1
331 1 26 ILE MG 1 51 GLU H . . 4.560 4.605 4.598 4.614 0.054 14 0 "[ . 1 . 2]" 1
332 1 82 LEU HA 1 84 ILE MD . . 4.430 4.163 4.024 4.407 . 0 0 "[ . 1 . 2]" 1
333 1 82 LEU HA 1 82 LEU MD2 . . 3.730 3.281 3.236 3.410 . 0 0 "[ . 1 . 2]" 1
334 1 27 ASN HB2 1 28 VAL H . . 4.600 4.385 4.369 4.401 . 0 0 "[ . 1 . 2]" 1
335 1 27 ASN HA 1 28 VAL HB . . 5.370 5.145 5.108 5.169 . 0 0 "[ . 1 . 2]" 1
336 1 9 LYS HB3 1 10 CYS H . . 4.080 3.190 1.995 4.091 0.011 13 0 "[ . 1 . 2]" 1
337 1 28 VAL MG1 1 74 ASP HB2 . . 5.110 4.936 4.492 5.122 0.012 20 0 "[ . 1 . 2]" 1
338 1 28 VAL MG1 1 78 TYR HB2 . . 4.950 3.578 3.048 4.512 . 0 0 "[ . 1 . 2]" 1
339 1 28 VAL MG1 1 78 TYR HB3 . . 4.950 4.339 3.732 4.865 . 0 0 "[ . 1 . 2]" 1
340 1 28 VAL MG1 1 73 ILE HA . . 3.750 3.719 3.591 3.845 0.095 20 0 "[ . 1 . 2]" 1
341 1 24 PRO HA 1 111 LEU MD2 . . 5.110 5.053 4.962 5.110 0.000 4 0 "[ . 1 . 2]" 1
342 1 28 VAL MG1 1 49 THR HB . . 5.130 4.866 4.816 4.914 . 0 0 "[ . 1 . 2]" 1
343 1 28 VAL MG1 1 75 THR H . . 5.460 4.858 4.108 5.129 . 0 0 "[ . 1 . 2]" 1
344 1 26 ILE H 1 28 VAL MG2 . . 4.220 3.497 3.456 3.572 . 0 0 "[ . 1 . 2]" 1
345 1 28 VAL MG2 1 48 LYS HA . . 5.380 5.331 5.270 5.421 0.041 20 0 "[ . 1 . 2]" 1
346 1 25 ALA HA 1 28 VAL MG2 . . 4.090 3.723 3.674 3.783 . 0 0 "[ . 1 . 2]" 1
347 1 27 ASN HA 1 28 VAL MG2 . . 4.510 4.366 4.311 4.427 . 0 0 "[ . 1 . 2]" 1
348 1 28 VAL MG2 1 49 THR HB . . 4.400 4.120 3.893 4.357 . 0 0 "[ . 1 . 2]" 1
349 1 28 VAL MG2 1 78 TYR HB2 . . 4.510 3.690 3.143 4.549 0.039 17 0 "[ . 1 . 2]" 1
350 1 16 VAL HB 1 28 VAL MG2 . . 4.040 3.477 3.253 3.762 . 0 0 "[ . 1 . 2]" 1
351 1 28 VAL MG2 1 49 THR MG . . 3.650 3.133 2.987 3.265 . 0 0 "[ . 1 . 2]" 1
352 1 25 ALA MB 1 28 VAL MG2 . . 2.970 1.823 1.785 1.871 . 0 0 "[ . 1 . 2]" 1
353 1 29 ALA MB 1 48 LYS HG2 . . 3.930 3.631 3.555 3.750 . 0 0 "[ . 1 . 2]" 1
354 1 28 VAL MG1 1 29 ALA MB . . 4.250 3.832 3.716 3.897 . 0 0 "[ . 1 . 2]" 1
355 1 28 VAL MG2 1 29 ALA MB . . 5.320 5.246 5.204 5.275 . 0 0 "[ . 1 . 2]" 1
356 1 29 ALA MB 1 48 LYS HG3 . . 3.740 3.638 3.528 3.723 . 0 0 "[ . 1 . 2]" 1
357 1 29 ALA MB 1 74 ASP HA . . 4.590 4.395 4.230 4.521 . 0 0 "[ . 1 . 2]" 1
358 1 28 VAL HA 1 29 ALA MB . . 3.980 3.948 3.923 3.988 0.008 14 0 "[ . 1 . 2]" 1
359 1 29 ALA MB 1 48 LYS HA . . 4.790 4.531 4.461 4.632 . 0 0 "[ . 1 . 2]" 1
360 1 29 ALA MB 1 74 ASP H . . 3.570 2.946 2.704 3.098 . 0 0 "[ . 1 . 2]" 1
361 1 29 ALA MB 1 30 VAL H . . 3.430 3.134 3.087 3.200 . 0 0 "[ . 1 . 2]" 1
362 1 29 ALA HA 1 30 VAL HB . . 4.750 4.623 4.548 4.699 . 0 0 "[ . 1 . 2]" 1
363 1 32 VAL HB 1 71 VAL MG2 . . 4.500 3.833 3.736 3.989 . 0 0 "[ . 1 . 2]" 1
364 1 14 VAL MG2 1 32 VAL HB . . 5.500 5.189 4.994 5.361 . 0 0 "[ . 1 . 2]" 1
365 1 30 VAL MG1 1 72 GLU HB3 . . 5.500 5.359 4.842 5.551 0.051 9 0 "[ . 1 . 2]" 1
366 1 32 VAL MG1 1 44 PHE HB3 . . 3.860 2.199 2.029 2.454 . 0 0 "[ . 1 . 2]" 1
367 1 32 VAL MG1 1 44 PHE HB2 . . 3.790 3.327 3.187 3.507 . 0 0 "[ . 1 . 2]" 1
368 1 32 VAL MG1 1 71 VAL MG1 . . 3.800 3.716 3.558 3.819 0.019 16 0 "[ . 1 . 2]" 1
369 1 32 VAL MG1 1 107 ILE MD . . 4.210 3.457 3.217 3.740 . 0 0 "[ . 1 . 2]" 1
370 1 32 VAL HA 1 32 VAL MG1 . . 3.340 2.196 2.160 2.263 . 0 0 "[ . 1 . 2]" 1
371 1 32 VAL MG1 1 33 PHE QD . . 4.640 4.412 4.274 4.502 . 0 0 "[ . 1 . 2]" 1
372 1 32 VAL MG1 1 44 PHE QR . . 3.330 2.458 2.311 2.680 . 0 0 "[ . 1 . 2]" 1
373 1 32 VAL MG1 1 45 ALA H . . 3.900 3.795 3.581 3.912 0.012 17 0 "[ . 1 . 2]" 1
374 1 32 VAL MG1 1 44 PHE H . . 4.560 4.235 4.125 4.328 . 0 0 "[ . 1 . 2]" 1
375 1 32 VAL H 1 32 VAL MG1 . . 3.870 3.842 3.825 3.857 . 0 0 "[ . 1 . 2]" 1
376 1 32 VAL MG1 1 34 ARG H . . 5.500 5.042 4.982 5.097 . 0 0 "[ . 1 . 2]" 1
377 1 32 VAL MG1 1 72 GLU H . . 5.500 4.988 4.690 5.090 . 0 0 "[ . 1 . 2]" 1
378 1 32 VAL MG2 1 45 ALA H . . 4.130 3.967 3.809 4.075 . 0 0 "[ . 1 . 2]" 1
379 1 32 VAL MG2 1 44 PHE QR . . 3.870 3.439 3.263 3.687 . 0 0 "[ . 1 . 2]" 1
380 1 32 VAL MG2 1 46 SER HA . . 3.830 3.436 3.343 3.504 . 0 0 "[ . 1 . 2]" 1
381 1 32 VAL MG2 1 44 PHE HB3 . . 4.330 4.146 4.050 4.294 . 0 0 "[ . 1 . 2]" 1
382 1 31 HIS HB3 1 32 VAL MG2 . . 5.400 5.108 5.060 5.169 . 0 0 "[ . 1 . 2]" 1
383 1 32 VAL MG2 1 58 LEU HB3 . . 3.600 3.184 2.901 3.601 0.001 5 0 "[ . 1 . 2]" 1
384 1 30 VAL MG1 1 32 VAL MG2 . . 2.710 2.626 2.564 2.683 . 0 0 "[ . 1 . 2]" 1
385 1 33 PHE HA 1 33 PHE QE . . 4.990 4.603 4.587 4.615 . 0 0 "[ . 1 . 2]" 1
386 1 33 PHE HA 1 44 PHE QR . . 5.310 4.493 4.399 4.616 . 0 0 "[ . 1 . 2]" 1
387 1 34 ARG HD2 1 65 VAL MG2 . . 4.700 4.267 3.944 4.438 . 0 0 "[ . 1 . 2]" 1
388 1 34 ARG HA 1 34 ARG HD2 . . 4.560 4.435 4.410 4.459 . 0 0 "[ . 1 . 2]" 1
389 1 34 ARG HG3 1 35 LYS H . . 4.340 3.870 3.673 4.060 . 0 0 "[ . 1 . 2]" 1
390 1 35 LYS HB3 1 35 LYS QD . . 3.800 3.465 3.437 3.504 . 0 0 "[ . 1 . 2]" 1
391 1 35 LYS QD 1 68 ILE MD . . 3.860 3.854 3.670 3.924 0.064 14 0 "[ . 1 . 2]" 1
392 1 34 ARG QH1 1 35 LYS QD . . 4.420 4.320 4.214 4.367 . 0 0 "[ . 1 . 2]" 1
393 1 34 ARG QH1 1 35 LYS QE . . 5.030 4.721 4.671 4.850 . 0 0 "[ . 1 . 2]" 1
394 1 36 ALA MB 1 42 GLU H . . 3.950 3.237 3.121 3.358 . 0 0 "[ . 1 . 2]" 1
395 1 36 ALA MB 1 37 ALA H . . 3.050 2.625 2.549 2.693 . 0 0 "[ . 1 . 2]" 1
396 1 36 ALA MB 1 38 ASP H . . 3.310 2.344 2.159 2.435 . 0 0 "[ . 1 . 2]" 1
397 1 36 ALA MB 1 42 GLU HA . . 4.210 4.123 4.008 4.209 . 0 0 "[ . 1 . 2]" 1
398 1 36 ALA MB 1 40 THR HB . . 3.890 3.793 3.759 3.895 0.005 11 0 "[ . 1 . 2]" 1
399 1 36 ALA MB 1 37 ALA HA . . 4.490 4.391 4.366 4.406 . 0 0 "[ . 1 . 2]" 1
400 1 36 ALA MB 1 39 ASP QB . . 5.500 5.194 5.115 5.268 . 0 0 "[ . 1 . 2]" 1
401 1 36 ALA MB 1 42 GLU HB3 . . 4.140 4.122 3.988 4.154 0.014 19 0 "[ . 1 . 2]" 1
402 1 35 LYS QD 1 36 ALA MB . . 4.250 3.681 3.504 3.737 . 0 0 "[ . 1 . 2]" 1
403 1 35 LYS QG 1 36 ALA MB . . 4.730 4.580 4.564 4.607 . 0 0 "[ . 1 . 2]" 1
404 1 37 ALA MB 1 39 ASP H . . 4.600 4.281 4.266 4.294 . 0 0 "[ . 1 . 2]" 1
405 1 36 ALA HA 1 37 ALA MB . . 4.190 4.083 4.065 4.119 . 0 0 "[ . 1 . 2]" 1
406 1 37 ALA MB 1 38 ASP HA . . 4.090 3.959 3.914 3.988 . 0 0 "[ . 1 . 2]" 1
407 1 35 LYS QG 1 39 ASP QB . . 5.370 5.221 5.197 5.281 . 0 0 "[ . 1 . 2]" 1
408 1 38 ASP HA 1 39 ASP QB . . 4.510 4.324 3.873 4.450 . 0 0 "[ . 1 . 2]" 1
409 1 39 ASP QB 1 40 THR H . . 3.980 3.880 3.845 3.937 . 0 0 "[ . 1 . 2]" 1
410 1 76 LYS QE 1 77 SER HA . . 4.770 4.271 2.551 4.772 0.002 15 0 "[ . 1 . 2]" 1
411 1 76 LYS HG3 1 77 SER HA . . 5.090 4.343 3.900 4.571 . 0 0 "[ . 1 . 2]" 1
412 1 35 LYS QD 1 40 THR HA . . 4.530 4.532 4.486 4.587 0.057 5 0 "[ . 1 . 2]" 1
413 1 40 THR HB 1 41 TRP H . . 3.410 2.156 2.043 2.201 . 0 0 "[ . 1 . 2]" 1
414 1 39 ASP QB 1 40 THR MG . . 3.760 3.584 3.552 3.608 . 0 0 "[ . 1 . 2]" 1
415 1 96 THR MG 1 99 ASP HB3 . . 3.620 2.593 1.921 3.618 . 0 0 "[ . 1 . 2]" 1
416 1 38 ASP HB3 1 40 THR MG . . 4.320 2.285 1.935 2.407 . 0 0 "[ . 1 . 2]" 1
417 1 95 PHE QR 1 96 THR MG . . 4.850 4.335 3.968 4.855 0.005 6 0 "[ . 1 . 2]" 1
418 1 96 THR MG 1 97 ALA H . . 3.970 3.855 3.654 3.976 0.006 2 0 "[ . 1 . 2]" 1
419 1 33 PHE QD 1 42 GLU HA . . 4.370 3.227 3.128 3.294 . 0 0 "[ . 1 . 2]" 1
420 1 34 ARG HD2 1 42 GLU HB2 . . 4.280 3.815 3.592 3.959 . 0 0 "[ . 1 . 2]" 1
421 1 42 GLU HB2 1 43 PRO HD2 . . 3.960 3.761 3.729 3.808 . 0 0 "[ . 1 . 2]" 1
422 1 41 TRP HA 1 42 GLU HB2 . . 4.580 4.475 4.432 4.531 . 0 0 "[ . 1 . 2]" 1
423 1 42 GLU HB3 1 43 PRO HD3 . . 4.060 3.621 3.587 3.678 . 0 0 "[ . 1 . 2]" 1
424 1 34 ARG HD2 1 42 GLU HB3 . . 4.970 4.931 4.691 4.982 0.012 5 0 "[ . 1 . 2]" 1
425 1 26 ILE HG13 1 51 GLU QG . . 3.720 3.793 3.780 3.814 0.094 14 0 "[ . 1 . 2]" 1
426 1 41 TRP HA 1 42 GLU QG . . 4.410 4.253 4.117 4.365 . 0 0 "[ . 1 . 2]" 1
427 1 42 GLU QG 1 43 PRO HD3 . . 4.530 4.343 4.224 4.486 . 0 0 "[ . 1 . 2]" 1
428 1 42 GLU QG 1 43 PRO HD2 . . 3.860 3.639 3.531 3.757 . 0 0 "[ . 1 . 2]" 1
429 1 35 LYS HA 1 42 GLU QG . . 5.280 5.187 4.976 5.283 0.003 11 0 "[ . 1 . 2]" 1
430 1 37 ALA H 1 42 GLU QG . . 4.390 4.309 4.085 4.404 0.014 5 0 "[ . 1 . 2]" 1
431 1 51 GLU QG 1 52 SER H . . 3.750 2.672 2.636 2.710 . 0 0 "[ . 1 . 2]" 1
432 1 34 ARG H 1 42 GLU QG . . 5.110 4.805 4.694 4.891 . 0 0 "[ . 1 . 2]" 1
433 1 33 PHE HB3 1 43 PRO HA . . 4.400 4.391 4.334 4.456 0.056 14 0 "[ . 1 . 2]" 1
434 1 43 PRO HA 1 44 PHE HB2 . . 4.800 4.627 4.584 4.655 . 0 0 "[ . 1 . 2]" 1
435 1 33 PHE HA 1 43 PRO HB2 . . 5.500 5.494 5.375 5.525 0.025 9 0 "[ . 1 . 2]" 1
436 1 125 PRO HB3 1 127 GLU H . . 4.330 4.077 3.936 4.236 . 0 0 "[ . 1 . 2]" 1
437 1 33 PHE QD 1 43 PRO HB3 . . 4.690 4.490 4.414 4.577 . 0 0 "[ . 1 . 2]" 1
438 1 33 PHE QD 1 43 PRO HD3 . . 4.550 3.860 3.809 3.891 . 0 0 "[ . 1 . 2]" 1
439 1 33 PHE QE 1 43 PRO HG3 . . 5.000 4.740 4.700 4.770 . 0 0 "[ . 1 . 2]" 1
440 1 42 GLU HA 1 43 PRO HG3 . . 4.520 4.443 4.429 4.458 . 0 0 "[ . 1 . 2]" 1
441 1 33 PHE HA 1 44 PHE HB3 . . 4.380 2.843 2.728 2.952 . 0 0 "[ . 1 . 2]" 1
442 1 33 PHE HA 1 44 PHE HB2 . . 4.550 2.711 2.579 2.871 . 0 0 "[ . 1 . 2]" 1
443 1 32 VAL MG2 1 45 ALA MB . . 3.140 2.444 2.258 2.635 . 0 0 "[ . 1 . 2]" 1
444 1 44 PHE HB2 1 45 ALA MB . . 4.890 4.758 4.713 4.792 . 0 0 "[ . 1 . 2]" 1
445 1 32 VAL HB 1 45 ALA MB . . 3.520 2.342 2.129 2.557 . 0 0 "[ . 1 . 2]" 1
446 1 44 PHE HB3 1 45 ALA MB . . 4.030 3.558 3.482 3.617 . 0 0 "[ . 1 . 2]" 1
447 1 45 ALA MB 1 58 LEU HA . . 3.570 2.173 1.954 2.533 . 0 0 "[ . 1 . 2]" 1
448 1 45 ALA MB 1 46 SER HA . . 4.040 3.746 3.687 3.791 . 0 0 "[ . 1 . 2]" 1
449 1 44 PHE QR 1 45 ALA MB . . 3.420 1.979 1.905 2.165 . 0 0 "[ . 1 . 2]" 1
450 1 44 PHE H 1 45 ALA MB . . 4.620 4.511 4.464 4.563 . 0 0 "[ . 1 . 2]" 1
451 1 32 VAL H 1 45 ALA MB . . 4.040 3.465 3.271 3.583 . 0 0 "[ . 1 . 2]" 1
452 1 46 SER HB2 1 58 LEU MD1 . . 5.500 5.422 4.467 5.621 0.121 4 0 "[ . 1 . 2]" 1
453 1 45 ALA HA 1 46 SER HB2 . . 4.900 4.832 4.692 4.926 0.026 4 0 "[ . 1 . 2]" 1
454 1 46 SER HB2 1 47 GLY H . . 3.860 3.587 3.367 3.796 . 0 0 "[ . 1 . 2]" 1
455 1 45 ALA MB 1 46 SER HB3 . . 4.620 4.530 4.486 4.588 . 0 0 "[ . 1 . 2]" 1
456 1 47 GLY HA2 1 48 LYS QB . . 4.280 4.180 4.077 4.225 . 0 0 "[ . 1 . 2]" 1
457 1 47 GLY H 1 48 LYS HA . . 4.730 4.625 4.576 4.669 . 0 0 "[ . 1 . 2]" 1
458 1 47 GLY HA3 1 48 LYS HA . . 4.550 4.375 4.349 4.450 . 0 0 "[ . 1 . 2]" 1
459 1 29 ALA HA 1 48 LYS HD2 . . 5.000 4.926 4.785 5.013 0.013 14 0 "[ . 1 . 2]" 1
460 1 47 GLY HA2 1 48 LYS HG3 . . 4.450 4.225 4.160 4.372 . 0 0 "[ . 1 . 2]" 1
461 1 16 VAL H 1 49 THR HA . . 5.500 5.504 5.441 5.541 0.041 14 0 "[ . 1 . 2]" 1
462 1 49 THR HB 1 53 GLY HA2 . . 3.980 3.592 3.438 3.641 . 0 0 "[ . 1 . 2]" 1
463 1 28 VAL HB 1 49 THR MG . . 3.320 1.945 1.931 1.959 . 0 0 "[ . 1 . 2]" 1
464 1 49 THR MG 1 55 LEU HG . . 4.500 3.584 3.353 4.069 . 0 0 "[ . 1 . 2]" 1
465 1 49 THR MG 1 73 ILE HG12 . . 4.770 3.945 3.771 4.258 . 0 0 "[ . 1 . 2]" 1
466 1 16 VAL MG2 1 49 THR MG . . 2.880 1.857 1.782 2.010 . 0 0 "[ . 1 . 2]" 1
467 1 25 ALA MB 1 49 THR MG . . 4.180 3.785 3.624 3.879 . 0 0 "[ . 1 . 2]" 1
468 1 48 LYS HA 1 49 THR MG . . 4.080 3.548 3.497 3.589 . 0 0 "[ . 1 . 2]" 1
469 1 28 VAL H 1 49 THR MG . . 3.910 3.637 3.556 3.711 . 0 0 "[ . 1 . 2]" 1
470 1 26 ILE HG13 1 51 GLU HA . . 3.990 3.436 3.223 3.501 . 0 0 "[ . 1 . 2]" 1
471 1 26 ILE HB 1 51 GLU HA . . 4.780 4.722 4.592 4.752 . 0 0 "[ . 1 . 2]" 1
472 1 26 ILE HG12 1 51 GLU HA . . 3.980 2.227 2.126 2.256 . 0 0 "[ . 1 . 2]" 1
473 1 60 THR HA 1 61 GLU QB . . 4.810 4.565 4.461 4.702 . 0 0 "[ . 1 . 2]" 1
474 1 50 SER HA 1 51 GLU QG . . 4.160 4.142 4.123 4.172 0.012 17 0 "[ . 1 . 2]" 1
475 1 52 SER HB3 1 54 GLU QB . . 4.460 3.835 3.065 4.146 . 0 0 "[ . 1 . 2]" 1
476 1 51 GLU QB 1 52 SER HB2 . . 5.080 4.875 4.799 4.930 . 0 0 "[ . 1 . 2]" 1
477 1 24 PRO HA 1 53 GLY HA2 . . 4.640 4.618 4.483 4.664 0.024 3 0 "[ . 1 . 2]" 1
478 1 52 SER H 1 53 GLY HA2 . . 4.690 4.540 4.517 4.570 . 0 0 "[ . 1 . 2]" 1
479 1 54 GLU HA 1 55 LEU HB2 . . 4.580 4.051 3.956 4.178 . 0 0 "[ . 1 . 2]" 1
480 1 14 VAL MG1 1 54 GLU HA . . 5.010 5.015 4.900 5.034 0.024 9 0 "[ . 1 . 2]" 1
481 1 47 GLY HA2 1 55 LEU MD1 . . 4.430 4.164 3.344 4.459 0.029 4 0 "[ . 1 . 2]" 1
482 1 47 GLY HA3 1 55 LEU MD2 . . 4.040 2.210 1.902 3.465 . 0 0 "[ . 1 . 2]" 1
483 1 49 THR HA 1 55 LEU HG . . 4.600 2.276 1.993 4.685 0.085 17 0 "[ . 1 . 2]" 1
484 1 45 ALA MB 1 58 LEU MD1 . . 3.330 3.018 1.792 3.413 0.083 4 0 "[ . 1 . 2]" 1
485 1 47 GLY HA3 1 58 LEU MD1 . . 4.120 3.181 2.209 4.123 0.003 7 0 "[ . 1 . 2]" 1
486 1 46 SER H 1 58 LEU MD2 . . 4.110 2.443 1.873 3.407 . 0 0 "[ . 1 . 2]" 1
487 1 47 GLY HA3 1 58 LEU MD2 . . 4.120 3.155 2.196 4.124 0.004 18 0 "[ . 1 . 2]" 1
488 1 58 LEU HA 1 58 LEU MD2 . . 4.400 2.702 1.952 3.733 . 0 0 "[ . 1 . 2]" 1
489 1 58 LEU HB3 1 58 LEU MD2 . . 3.460 2.322 2.066 3.185 . 0 0 "[ . 1 . 2]" 1
490 1 45 ALA MB 1 58 LEU MD2 . . 3.330 2.067 1.847 3.320 . 0 0 "[ . 1 . 2]" 1
491 1 4 GLY QA 1 5 THR MG . . 3.550 3.438 3.213 3.570 0.020 15 0 "[ . 1 . 2]" 1
492 1 62 GLU HB2 1 63 GLU H . . 4.520 3.543 3.217 4.235 . 0 0 "[ . 1 . 2]" 1
493 1 65 VAL MG2 1 66 GLU HG3 . . 5.500 5.202 4.560 5.522 0.022 14 0 "[ . 1 . 2]" 1
494 1 60 THR HA 1 61 GLU QG . . 4.360 4.226 3.967 4.358 . 0 0 "[ . 1 . 2]" 1
495 1 63 GLU HA 1 65 VAL MG1 . . 4.230 4.133 3.998 4.241 0.011 13 0 "[ . 1 . 2]" 1
496 1 63 GLU HA 1 65 VAL H . . 4.240 3.706 3.300 3.881 . 0 0 "[ . 1 . 2]" 1
497 1 64 PHE HA 1 65 VAL HA . . 4.790 4.452 4.377 4.746 . 0 0 "[ . 1 . 2]" 1
498 1 93 VAL MG1 1 108 ALA H . . 3.770 3.689 3.334 3.781 0.011 20 0 "[ . 1 . 2]" 1
499 1 65 VAL MG1 1 69 TYR QR . . 4.450 3.549 3.401 3.777 . 0 0 "[ . 1 . 2]" 1
500 1 93 VAL MG1 1 94 VAL HA . . 3.910 3.743 3.666 3.870 . 0 0 "[ . 1 . 2]" 1
501 1 34 ARG HD3 1 65 VAL MG1 . . 4.580 4.315 4.032 4.553 . 0 0 "[ . 1 . 2]" 1
502 1 34 ARG HD2 1 65 VAL MG1 . . 4.820 3.379 2.935 3.755 . 0 0 "[ . 1 . 2]" 1
503 1 65 VAL MG2 1 66 GLU HB2 . . 4.090 4.065 3.987 4.105 0.015 4 0 "[ . 1 . 2]" 1
504 1 68 ILE MD 1 68 ILE MG . . 2.920 2.041 1.913 2.349 . 0 0 "[ . 1 . 2]" 1
505 1 34 ARG HD3 1 65 VAL MG2 . . 4.640 4.552 4.332 4.676 0.036 11 0 "[ . 1 . 2]" 1
506 1 64 PHE HA 1 65 VAL MG2 . . 4.450 4.333 4.289 4.400 . 0 0 "[ . 1 . 2]" 1
507 1 68 ILE HA 1 68 ILE MG . . 3.430 2.253 2.191 2.327 . 0 0 "[ . 1 . 2]" 1
508 1 35 LYS HA 1 68 ILE MG . . 4.050 3.596 3.500 3.763 . 0 0 "[ . 1 . 2]" 1
509 1 68 ILE MG 1 69 TYR HA . . 3.970 3.648 3.466 3.800 . 0 0 "[ . 1 . 2]" 1
510 1 65 VAL MG2 1 69 TYR QR . . 4.130 2.007 1.943 2.401 . 0 0 "[ . 1 . 2]" 1
511 1 66 GLU HA 1 97 ALA MB . . 4.400 3.610 3.254 3.864 . 0 0 "[ . 1 . 2]" 1
512 1 65 VAL MG2 1 66 GLU HG2 . . 5.500 5.126 4.756 5.503 0.003 16 0 "[ . 1 . 2]" 1
513 1 35 LYS QD 1 68 ILE HB . . 5.500 5.357 5.231 5.421 . 0 0 "[ . 1 . 2]" 1
514 1 34 ARG HG2 1 68 ILE MD . . 4.630 4.647 4.612 4.681 0.051 17 0 "[ . 1 . 2]" 1
515 1 35 LYS QG 1 68 ILE MD . . 4.180 2.065 1.891 2.140 . 0 0 "[ . 1 . 2]" 1
516 1 68 ILE MD 1 96 THR HB . . 4.760 3.688 3.357 4.133 . 0 0 "[ . 1 . 2]" 1
517 1 34 ARG QH1 1 68 ILE MD . . 4.220 1.983 1.907 2.183 . 0 0 "[ . 1 . 2]" 1
518 1 35 LYS H 1 68 ILE MD . . 4.030 3.903 3.823 3.989 . 0 0 "[ . 1 . 2]" 1
519 1 82 LEU HB2 1 84 ILE HG12 . . 4.460 2.045 1.982 2.196 . 0 0 "[ . 1 . 2]" 1
520 1 79 TRP HA 1 84 ILE HG12 . . 5.030 2.759 2.238 3.271 . 0 0 "[ . 1 . 2]" 1
521 1 34 ARG HG3 1 65 VAL MG2 . . 3.470 2.410 2.057 2.593 . 0 0 "[ . 1 . 2]" 1
522 1 35 LYS QG 1 68 ILE MG . . 4.260 3.024 2.904 3.311 . 0 0 "[ . 1 . 2]" 1
523 1 68 ILE HB 1 69 TYR HA . . 4.890 4.650 4.610 4.716 . 0 0 "[ . 1 . 2]" 1
524 1 70 LYS HA 1 71 VAL MG1 . . 5.500 5.508 5.491 5.512 0.012 15 0 "[ . 1 . 2]" 1
525 1 70 LYS HA 1 71 VAL MG2 . . 4.670 3.935 3.871 4.000 . 0 0 "[ . 1 . 2]" 1
526 1 70 LYS HA 1 94 VAL MG1 . . 4.890 3.613 3.224 3.848 . 0 0 "[ . 1 . 2]" 1
527 1 70 LYS HA 1 94 VAL MG2 . . 3.900 2.525 2.017 2.879 . 0 0 "[ . 1 . 2]" 1
528 1 69 TYR HB3 1 70 LYS HA . . 4.980 4.719 4.600 4.876 . 0 0 "[ . 1 . 2]" 1
529 1 71 VAL HB 1 73 ILE MD . . 4.480 4.213 3.835 4.454 . 0 0 "[ . 1 . 2]" 1
530 1 32 VAL H 1 71 VAL MG1 . . 4.570 4.322 3.891 4.574 0.004 16 0 "[ . 1 . 2]" 1
531 1 31 HIS H 1 71 VAL MG1 . . 3.940 3.184 2.991 3.398 . 0 0 "[ . 1 . 2]" 1
532 1 71 VAL MG1 1 93 VAL H . . 4.370 4.121 3.876 4.371 0.001 1 0 "[ . 1 . 2]" 1
533 1 71 VAL MG1 1 72 GLU HA . . 3.960 3.615 3.485 3.785 . 0 0 "[ . 1 . 2]" 1
534 1 30 VAL HA 1 71 VAL MG1 . . 4.030 3.833 3.709 3.941 . 0 0 "[ . 1 . 2]" 1
535 1 71 VAL MG1 1 72 GLU HB3 . . 4.720 4.573 4.287 4.727 0.007 19 0 "[ . 1 . 2]" 1
536 1 30 VAL HB 1 71 VAL MG1 . . 4.350 4.169 4.101 4.263 . 0 0 "[ . 1 . 2]" 1
537 1 32 VAL MG2 1 71 VAL MG1 . . 2.730 2.357 2.066 2.554 . 0 0 "[ . 1 . 2]" 1
538 1 71 VAL MG1 1 73 ILE HG13 . . 3.030 2.845 2.691 2.957 . 0 0 "[ . 1 . 2]" 1
539 1 30 VAL MG1 1 71 VAL MG1 . . 2.440 1.861 1.829 1.920 . 0 0 "[ . 1 . 2]" 1
540 1 31 HIS HB2 1 72 GLU HB3 . . 4.610 3.492 2.797 3.879 . 0 0 "[ . 1 . 2]" 1
541 1 32 VAL HB 1 46 SER HA . . 4.980 4.800 4.686 4.909 . 0 0 "[ . 1 . 2]" 1
542 1 72 GLU HB2 1 73 ILE HA . . 5.500 5.165 4.936 5.632 0.132 20 0 "[ . 1 . 2]" 1
543 1 71 VAL HB 1 93 VAL HA . . 5.500 5.324 4.931 5.522 0.022 14 0 "[ . 1 . 2]" 1
544 1 71 VAL HB 1 93 VAL MG2 . . 3.770 3.430 2.749 3.775 0.005 20 0 "[ . 1 . 2]" 1
545 1 30 VAL MG1 1 72 GLU HG3 . . 5.500 5.311 5.159 5.552 0.052 14 0 "[ . 1 . 2]" 1
546 1 126 LYS QD 1 127 GLU QG . . 4.020 2.576 1.866 3.954 . 0 0 "[ . 1 . 2]" 1
547 1 72 GLU HG2 1 73 ILE HG13 . . 5.500 5.226 5.083 5.412 . 0 0 "[ . 1 . 2]" 1
548 1 30 VAL MG1 1 72 GLU HG2 . . 5.500 4.443 4.089 5.113 . 0 0 "[ . 1 . 2]" 1
549 1 73 ILE H 1 73 ILE MG . . 3.870 3.842 3.816 3.872 0.002 19 0 "[ . 1 . 2]" 1
550 1 73 ILE MG 1 74 ASP HA . . 4.250 3.834 3.719 3.974 . 0 0 "[ . 1 . 2]" 1
551 1 73 ILE HA 1 73 ILE MG . . 3.390 2.327 2.270 2.388 . 0 0 "[ . 1 . 2]" 1
552 1 73 ILE MG 1 75 THR HA . . 4.100 3.709 3.508 3.919 . 0 0 "[ . 1 . 2]" 1
553 1 73 ILE MG 1 74 ASP HB2 . . 4.730 4.295 4.104 4.511 . 0 0 "[ . 1 . 2]" 1
554 1 29 ALA MB 1 73 ILE MG . . 4.560 4.124 3.999 4.256 . 0 0 "[ . 1 . 2]" 1
555 1 73 ILE MG 1 111 LEU HG . . 5.040 4.510 4.239 4.718 . 0 0 "[ . 1 . 2]" 1
556 1 73 ILE HG12 1 73 ILE MG . . 3.530 2.017 1.945 2.162 . 0 0 "[ . 1 . 2]" 1
557 1 73 ILE HG13 1 73 ILE MG . . 3.250 2.992 2.864 3.075 . 0 0 "[ . 1 . 2]" 1
558 1 28 VAL MG2 1 73 ILE MG . . 3.650 3.677 3.605 3.715 0.065 15 0 "[ . 1 . 2]" 1
559 1 73 ILE MG 1 111 LEU MD1 . . 3.720 2.814 2.573 3.011 . 0 0 "[ . 1 . 2]" 1
560 1 12 LEU HA 1 12 LEU HG . . 4.160 3.504 3.154 3.691 . 0 0 "[ . 1 . 2]" 1
561 1 73 ILE MG 1 74 ASP HB3 . . 4.730 4.610 4.353 4.805 0.075 9 0 "[ . 1 . 2]" 1
562 1 28 VAL MG1 1 75 THR HA . . 4.500 3.773 3.471 4.131 . 0 0 "[ . 1 . 2]" 1
563 1 28 VAL MG1 1 75 THR HB . . 5.340 4.830 2.746 5.353 0.013 12 0 "[ . 1 . 2]" 1
564 1 73 ILE MG 1 75 THR HB . . 5.500 4.278 2.462 4.883 . 0 0 "[ . 1 . 2]" 1
565 1 28 VAL MG2 1 75 THR MG . . 4.670 4.282 3.170 4.689 0.019 9 0 "[ . 1 . 2]" 1
566 1 75 THR MG 1 111 LEU MD1 . . 3.790 1.893 1.710 2.204 . 0 0 "[ . 1 . 2]" 1
567 1 73 ILE MG 1 75 THR MG . . 3.030 2.066 1.772 2.439 . 0 0 "[ . 1 . 2]" 1
568 1 75 THR MG 1 90 HIS HB2 . . 4.550 3.251 1.899 4.613 0.063 20 0 "[ . 1 . 2]" 1
569 1 74 ASP HA 1 75 THR MG . . 4.240 3.893 3.686 4.268 0.028 2 0 "[ . 1 . 2]" 1
570 1 73 ILE H 1 75 THR MG . . 5.500 5.073 4.713 5.525 0.025 18 0 "[ . 1 . 2]" 1
571 1 77 SER HA 1 80 LYS QE . . 4.380 4.013 3.727 4.406 0.026 9 0 "[ . 1 . 2]" 1
572 1 76 LYS QD 1 77 SER QB . . 4.450 2.596 2.096 3.500 . 0 0 "[ . 1 . 2]" 1
573 1 126 LYS QE 1 127 GLU H . . 4.440 3.816 3.329 4.181 . 0 0 "[ . 1 . 2]" 1
574 1 40 THR HA 1 41 TRP HD1 . . 4.470 2.936 2.753 3.186 . 0 0 "[ . 1 . 2]" 1
575 1 77 SER QB 1 80 LYS HG2 . . 4.440 3.554 3.202 3.963 . 0 0 "[ . 1 . 2]" 1
576 1 77 SER QB 1 78 TYR HA . . 4.300 4.064 3.785 4.313 0.013 7 0 "[ . 1 . 2]" 1
577 1 28 VAL MG2 1 78 TYR HB3 . . 4.510 4.209 3.916 4.522 0.012 18 0 "[ . 1 . 2]" 1
578 1 79 TRP HA 1 82 LEU H . . 4.190 3.547 3.429 3.705 . 0 0 "[ . 1 . 2]" 1
579 1 80 LYS HA 1 83 GLY HA2 . . 4.230 3.444 3.218 3.623 . 0 0 "[ . 1 . 2]" 1
580 1 80 LYS HG3 1 81 ALA H . . 4.590 2.428 2.383 2.507 . 0 0 "[ . 1 . 2]" 1
581 1 19 ALA HA 1 110 MET HB2 . . 5.500 5.489 5.342 5.555 0.055 14 0 "[ . 1 . 2]" 1
582 1 77 SER QB 1 81 ALA MB . . 4.920 4.528 3.600 4.959 0.039 17 0 "[ . 1 . 2]" 1
583 1 81 ALA MB 1 82 LEU HB2 . . 4.390 4.310 4.246 4.380 . 0 0 "[ . 1 . 2]" 1
584 1 81 ALA MB 1 82 LEU MD1 . . 3.710 2.609 2.233 2.816 . 0 0 "[ . 1 . 2]" 1
585 1 81 ALA HA 1 82 LEU MD1 . . 4.510 4.294 3.906 4.469 . 0 0 "[ . 1 . 2]" 1
586 1 15 LYS QD 1 53 GLY HA2 . . 4.760 3.461 3.281 3.718 . 0 0 "[ . 1 . 2]" 1
587 1 84 ILE HA 1 84 ILE HG12 . . 4.070 3.212 3.157 3.257 . 0 0 "[ . 1 . 2]" 1
588 1 87 MET ME 1 114 TYR H . . 5.080 3.832 1.922 5.090 0.010 11 0 "[ . 1 . 2]" 1
589 1 13 MET QB 1 107 ILE H . . 5.320 4.966 4.868 5.019 . 0 0 "[ . 1 . 2]" 1
590 1 71 VAL H 1 93 VAL MG2 . . 4.770 4.503 4.173 4.769 . 0 0 "[ . 1 . 2]" 1
591 1 93 VAL MG2 1 108 ALA H . . 4.200 3.099 2.706 3.656 . 0 0 "[ . 1 . 2]" 1
592 1 93 VAL MG2 1 109 ALA H . . 5.000 4.817 4.620 4.984 . 0 0 "[ . 1 . 2]" 1
593 1 93 VAL MG2 1 107 ILE HA . . 3.790 3.107 2.623 3.783 . 0 0 "[ . 1 . 2]" 1
594 1 93 VAL MG2 1 107 ILE HG12 . . 4.150 3.663 3.530 3.930 . 0 0 "[ . 1 . 2]" 1
595 1 93 VAL MG2 1 108 ALA MB . . 4.380 4.057 3.712 4.374 . 0 0 "[ . 1 . 2]" 1
596 1 93 VAL MG2 1 107 ILE MG . . 2.870 1.786 1.753 1.839 . 0 0 "[ . 1 . 2]" 1
597 1 94 VAL HA 1 95 PHE HA . . 4.500 4.388 4.377 4.405 . 0 0 "[ . 1 . 2]" 1
598 1 94 VAL HA 1 95 PHE QR . . 4.490 4.221 3.546 4.543 0.053 2 0 "[ . 1 . 2]" 1
599 1 32 VAL MG2 1 46 SER H . . 4.210 4.195 4.042 4.242 0.032 4 0 "[ . 1 . 2]" 1
600 1 41 TRP HZ2 1 94 VAL MG2 . . 3.590 3.016 2.727 3.416 . 0 0 "[ . 1 . 2]" 1
601 1 41 TRP HH2 1 94 VAL MG2 . . 3.670 2.674 2.202 3.157 . 0 0 "[ . 1 . 2]" 1
602 1 32 VAL MG2 1 71 VAL MG2 . . 2.650 2.005 1.877 2.244 . 0 0 "[ . 1 . 2]" 1
603 1 95 PHE HA 1 96 THR HB . . 4.700 4.541 4.363 4.686 . 0 0 "[ . 1 . 2]" 1
604 1 95 PHE HA 1 95 PHE QR . . 4.280 2.779 2.223 3.678 . 0 0 "[ . 1 . 2]" 1
605 1 8 SER QB 1 9 LYS QD . . 4.330 4.003 3.308 4.359 0.029 2 0 "[ . 1 . 2]" 1
606 1 15 LYS QG 1 106 THR MG . . 3.340 3.322 3.244 3.363 0.023 19 0 "[ . 1 . 2]" 1
607 1 13 MET HG2 1 106 THR MG . . 3.840 3.321 3.264 3.431 . 0 0 "[ . 1 . 2]" 1
608 1 15 LYS QE 1 106 THR MG . . 4.970 4.976 4.923 4.993 0.023 20 0 "[ . 1 . 2]" 1
609 1 13 MET HA 1 106 THR MG . . 4.870 4.759 4.608 4.876 0.006 17 0 "[ . 1 . 2]" 1
610 1 13 MET H 1 106 THR MG . . 4.100 3.941 3.801 4.106 0.006 9 0 "[ . 1 . 2]" 1
611 1 106 THR MG 1 108 ALA H . . 4.330 4.048 3.934 4.148 . 0 0 "[ . 1 . 2]" 1
612 1 14 VAL HA 1 107 ILE HB . . 4.610 2.159 2.021 2.278 . 0 0 "[ . 1 . 2]" 1
613 1 93 VAL MG2 1 107 ILE HB . . 4.250 4.192 4.093 4.250 0.000 20 0 "[ . 1 . 2]" 1
614 1 32 VAL MG2 1 107 ILE MD . . 4.140 3.433 3.076 3.718 . 0 0 "[ . 1 . 2]" 1
615 1 93 VAL MG2 1 107 ILE HG13 . . 4.150 3.802 3.333 4.178 0.028 19 0 "[ . 1 . 2]" 1
616 1 93 VAL HA 1 107 ILE MG . . 4.670 4.533 4.442 4.612 . 0 0 "[ . 1 . 2]" 1
617 1 108 ALA MB 1 109 ALA HA . . 4.210 4.080 4.028 4.119 . 0 0 "[ . 1 . 2]" 1
618 1 16 VAL MG2 1 109 ALA HA . . 4.860 4.759 4.601 4.863 0.003 7 0 "[ . 1 . 2]" 1
619 1 126 LYS HA 1 127 GLU H . . 3.520 3.445 3.366 3.485 . 0 0 "[ . 1 . 2]" 1
620 1 127 GLU H 1 127 GLU HB2 . . 3.900 2.699 2.228 3.826 . 0 0 "[ . 1 . 2]" 1
621 1 32 VAL MG2 1 72 GLU H . . 4.480 4.083 3.849 4.201 . 0 0 "[ . 1 . 2]" 1
622 1 16 VAL HB 1 49 THR MG . . 3.510 2.132 2.002 2.282 . 0 0 "[ . 1 . 2]" 1
623 1 16 VAL MG1 1 28 VAL HB . . 3.630 3.279 3.081 3.459 . 0 0 "[ . 1 . 2]" 1
624 1 16 VAL MG1 1 49 THR MG . . 3.420 2.911 2.766 3.053 . 0 0 "[ . 1 . 2]" 1
625 1 20 VAL H 1 110 MET ME . . 4.730 4.695 4.596 4.744 0.014 3 0 "[ . 1 . 2]" 1
626 1 22 GLY H 1 110 MET ME . . 4.510 4.475 4.354 4.536 0.026 20 0 "[ . 1 . 2]" 1
627 1 71 VAL MG1 1 107 ILE HB . . 3.980 3.681 3.390 3.965 . 0 0 "[ . 1 . 2]" 1
628 1 19 ALA H 1 110 MET HG2 . . 5.140 4.813 4.415 5.037 . 0 0 "[ . 1 . 2]" 1
629 1 110 MET HG2 1 111 LEU H . . 5.330 4.118 4.046 4.184 . 0 0 "[ . 1 . 2]" 1
630 1 14 VAL HA 1 106 THR MG . . 3.930 3.494 3.310 3.646 . 0 0 "[ . 1 . 2]" 1
631 1 16 VAL HB 1 25 ALA MB . . 3.810 3.060 2.847 3.201 . 0 0 "[ . 1 . 2]" 1
632 1 13 MET ME 1 15 LYS QE . . 4.350 4.241 4.091 4.356 0.006 15 0 "[ . 1 . 2]" 1
633 1 15 LYS QE 1 16 VAL HB . . 4.210 4.052 3.997 4.132 . 0 0 "[ . 1 . 2]" 1
634 1 13 MET ME 1 106 THR HA . . 4.100 3.954 3.807 4.097 . 0 0 "[ . 1 . 2]" 1
635 1 13 MET ME 1 15 LYS QG . . 3.780 3.712 3.644 3.768 . 0 0 "[ . 1 . 2]" 1
636 1 13 MET ME 1 14 VAL MG1 . . 4.520 4.455 4.295 4.534 0.014 9 0 "[ . 1 . 2]" 1
637 1 13 MET H 1 13 MET ME . . 4.750 4.424 4.364 4.538 . 0 0 "[ . 1 . 2]" 1
638 1 13 MET ME 1 55 LEU H . . 3.950 3.787 3.609 3.952 0.002 11 0 "[ . 1 . 2]" 1
639 1 13 MET ME 1 14 VAL H . . 4.210 3.229 3.048 3.341 . 0 0 "[ . 1 . 2]" 1
640 1 13 MET ME 1 16 VAL H . . 4.940 4.884 4.710 4.947 0.007 18 0 "[ . 1 . 2]" 1
641 1 13 MET ME 1 15 LYS H . . 4.230 3.572 3.262 3.767 . 0 0 "[ . 1 . 2]" 1
642 1 13 MET ME 1 107 ILE H . . 4.340 3.907 3.753 4.150 . 0 0 "[ . 1 . 2]" 1
643 1 13 MET ME 1 106 THR HB . . 4.410 4.304 4.222 4.418 0.008 8 0 "[ . 1 . 2]" 1
644 1 93 VAL MG1 1 95 PHE QR . . 3.780 1.960 1.761 2.143 . 0 0 "[ . 1 . 2]" 1
645 1 31 HIS HA 1 71 VAL MG1 . . 4.800 4.537 4.214 4.726 . 0 0 "[ . 1 . 2]" 1
646 1 94 VAL H 1 94 VAL MG1 . . 4.450 3.883 3.855 3.912 . 0 0 "[ . 1 . 2]" 1
647 1 12 LEU MD2 1 32 VAL MG1 . . 4.050 3.205 2.226 3.910 . 0 0 "[ . 1 . 2]" 1
648 1 32 VAL MG2 1 46 SER HB2 . . 4.920 4.934 4.888 4.964 0.044 20 0 "[ . 1 . 2]" 1
649 1 34 ARG HD2 1 44 PHE QR . . 4.690 4.338 4.011 4.484 . 0 0 "[ . 1 . 2]" 1
650 1 24 PRO HG2 1 52 SER HA . . 4.840 4.888 4.867 4.908 0.068 20 0 "[ . 1 . 2]" 1
651 1 32 VAL HA 1 45 ALA MB . . 5.050 4.833 4.652 5.014 . 0 0 "[ . 1 . 2]" 1
652 1 15 LYS QD 1 17 LEU H . . 5.420 5.437 5.412 5.474 0.054 14 0 "[ . 1 . 2]" 1
653 1 8 SER H 1 9 LYS QE . . 5.460 4.940 3.955 5.520 0.060 14 0 "[ . 1 . 2]" 1
654 1 19 ALA HA 1 22 GLY HA3 . . 4.870 4.701 4.381 4.874 0.004 9 0 "[ . 1 . 2]" 1
655 1 26 ILE HA 1 27 ASN HA . . 4.450 4.401 4.399 4.406 . 0 0 "[ . 1 . 2]" 1
656 1 82 LEU HB2 1 82 LEU MD2 . . 3.170 2.137 2.097 2.165 . 0 0 "[ . 1 . 2]" 1
657 1 12 LEU MD1 1 32 VAL MG1 . . 4.050 2.981 2.540 3.838 . 0 0 "[ . 1 . 2]" 1
658 1 27 ASN HB3 1 82 LEU MD2 . . 5.080 5.060 4.822 5.125 0.045 19 0 "[ . 1 . 2]" 1
659 1 27 ASN HB2 1 82 LEU MD2 . . 4.150 3.823 3.465 4.054 . 0 0 "[ . 1 . 2]" 1
660 1 12 LEU MD1 1 13 MET H . . 4.320 2.782 2.384 3.344 . 0 0 "[ . 1 . 2]" 1
661 1 5 THR H 1 5 THR MG . . 4.050 2.757 2.050 3.409 . 0 0 "[ . 1 . 2]" 1
662 1 4 GLY QA 1 5 THR H . . 3.370 2.364 2.108 2.881 . 0 0 "[ . 1 . 2]" 1
663 1 2 PRO HA 1 3 THR H . . 3.350 2.786 2.624 3.405 0.055 15 0 "[ . 1 . 2]" 1
664 1 3 THR H 1 3 THR MG . . 4.400 2.161 1.914 3.108 . 0 0 "[ . 1 . 2]" 1
665 1 7 GLU H 1 7 GLU HB2 . . 3.860 3.214 2.570 3.855 . 0 0 "[ . 1 . 2]" 1
666 1 7 GLU H 1 7 GLU HB3 . . 3.860 2.999 2.603 3.331 . 0 0 "[ . 1 . 2]" 1
667 1 8 SER H 1 8 SER QB . . 3.220 2.805 2.068 3.233 0.013 10 0 "[ . 1 . 2]" 1
668 1 8 SER HA 1 9 LYS H . . 2.970 2.522 2.212 2.736 . 0 0 "[ . 1 . 2]" 1
669 1 9 LYS H 1 9 LYS HB2 . . 4.050 2.992 2.261 4.080 0.030 8 0 "[ . 1 . 2]" 1
670 1 84 ILE HB 1 85 SER H . . 4.270 3.567 3.482 3.694 . 0 0 "[ . 1 . 2]" 1
671 1 9 LYS H 1 9 LYS HB3 . . 4.050 3.508 2.516 3.766 . 0 0 "[ . 1 . 2]" 1
672 1 9 LYS H 1 9 LYS QE . . 4.380 2.586 1.915 3.356 . 0 0 "[ . 1 . 2]" 1
673 1 11 PRO HD2 1 12 LEU H . . 4.430 2.665 2.647 2.732 . 0 0 "[ . 1 . 2]" 1
674 1 11 PRO HD3 1 12 LEU H . . 4.490 3.847 3.835 3.888 . 0 0 "[ . 1 . 2]" 1
675 1 10 CYS QB 1 12 LEU H . . 4.280 2.528 2.182 3.053 . 0 0 "[ . 1 . 2]" 1
676 1 11 PRO HB2 1 12 LEU H . . 4.340 3.368 3.119 3.645 . 0 0 "[ . 1 . 2]" 1
677 1 11 PRO HB3 1 12 LEU H . . 4.340 4.161 4.017 4.322 . 0 0 "[ . 1 . 2]" 1
678 1 11 PRO QG 1 12 LEU H . . 4.200 2.399 2.113 2.759 . 0 0 "[ . 1 . 2]" 1
679 1 12 LEU H 1 12 LEU HB2 . . 3.910 3.163 2.689 3.394 . 0 0 "[ . 1 . 2]" 1
680 1 12 LEU H 1 59 THR MG . . 3.910 2.857 1.940 3.919 0.009 15 0 "[ . 1 . 2]" 1
681 1 12 LEU H 1 12 LEU HB3 . . 3.910 2.735 2.497 2.921 . 0 0 "[ . 1 . 2]" 1
682 1 13 MET H 1 13 MET QB . . 3.670 3.088 3.038 3.118 . 0 0 "[ . 1 . 2]" 1
683 1 13 MET H 1 13 MET HG3 . . 4.300 2.655 2.525 2.739 . 0 0 "[ . 1 . 2]" 1
684 1 12 LEU HA 1 13 MET H . . 3.430 2.158 2.140 2.195 . 0 0 "[ . 1 . 2]" 1
685 1 13 MET H 1 106 THR HA . . 3.800 2.727 2.632 2.822 . 0 0 "[ . 1 . 2]" 1
686 1 12 LEU H 1 13 MET H . . 4.510 4.204 3.987 4.414 . 0 0 "[ . 1 . 2]" 1
687 1 12 LEU MD2 1 13 MET H . . 4.320 3.193 2.332 4.343 0.023 6 0 "[ . 1 . 2]" 1
688 1 14 VAL H 1 14 VAL HB . . 4.140 2.523 2.510 2.545 . 0 0 "[ . 1 . 2]" 1
689 1 13 MET QB 1 14 VAL H . . 4.490 2.746 2.732 2.785 . 0 0 "[ . 1 . 2]" 1
690 1 14 VAL H 1 106 THR MG . . 4.530 4.405 4.235 4.509 . 0 0 "[ . 1 . 2]" 1
691 1 15 LYS H 1 15 LYS HB2 . . 3.860 3.203 3.070 3.355 . 0 0 "[ . 1 . 2]" 1
692 1 15 LYS H 1 15 LYS HB3 . . 3.930 2.567 2.482 2.702 . 0 0 "[ . 1 . 2]" 1
693 1 15 LYS H 1 15 LYS QG . . 4.070 4.014 3.988 4.056 . 0 0 "[ . 1 . 2]" 1
694 1 15 LYS H 1 106 THR MG . . 4.110 3.208 2.993 3.407 . 0 0 "[ . 1 . 2]" 1
695 1 14 VAL HA 1 15 LYS H . . 3.500 2.167 2.140 2.220 . 0 0 "[ . 1 . 2]" 1
696 1 16 VAL H 1 16 VAL HB . . 3.680 2.681 2.652 2.705 . 0 0 "[ . 1 . 2]" 1
697 1 15 LYS HB2 1 16 VAL H . . 4.470 4.345 4.326 4.354 . 0 0 "[ . 1 . 2]" 1
698 1 15 LYS HB3 1 16 VAL H . . 4.500 4.441 4.430 4.451 . 0 0 "[ . 1 . 2]" 1
699 1 15 LYS QG 1 16 VAL H . . 3.810 3.519 3.484 3.538 . 0 0 "[ . 1 . 2]" 1
700 1 16 VAL H 1 16 VAL MG2 . . 3.400 2.772 2.699 2.832 . 0 0 "[ . 1 . 2]" 1
701 1 16 VAL H 1 17 LEU H . . 4.310 4.255 4.221 4.294 . 0 0 "[ . 1 . 2]" 1
702 1 15 LYS HA 1 16 VAL H . . 3.280 2.152 2.148 2.154 . 0 0 "[ . 1 . 2]" 1
703 1 73 ILE H 1 74 ASP H . . 4.490 4.420 4.370 4.456 . 0 0 "[ . 1 . 2]" 1
704 1 73 ILE HA 1 74 ASP H . . 3.120 2.175 2.146 2.196 . 0 0 "[ . 1 . 2]" 1
705 1 74 ASP H 1 74 ASP HB2 . . 3.490 2.338 2.162 2.574 . 0 0 "[ . 1 . 2]" 1
706 1 74 ASP H 1 74 ASP HB3 . . 3.490 3.186 2.867 3.454 . 0 0 "[ . 1 . 2]" 1
707 1 17 LEU H 1 17 LEU HB2 . . 3.970 3.899 3.892 3.903 . 0 0 "[ . 1 . 2]" 1
708 1 17 LEU H 1 17 LEU HG . . 3.780 2.719 2.685 2.765 . 0 0 "[ . 1 . 2]" 1
709 1 73 ILE HG12 1 74 ASP H . . 4.980 4.684 4.519 4.848 . 0 0 "[ . 1 . 2]" 1
710 1 74 ASP H 1 75 THR MG . . 4.440 4.261 3.591 4.505 0.065 9 0 "[ . 1 . 2]" 1
711 1 17 LEU H 1 109 ALA MB . . 4.640 3.836 3.739 3.916 . 0 0 "[ . 1 . 2]" 1
712 1 73 ILE MG 1 74 ASP H . . 3.130 2.282 2.137 2.477 . 0 0 "[ . 1 . 2]" 1
713 1 17 LEU H 1 25 ALA MB . . 4.540 4.190 3.952 4.323 . 0 0 "[ . 1 . 2]" 1
714 1 73 ILE HG13 1 74 ASP H . . 4.670 4.509 4.369 4.604 . 0 0 "[ . 1 . 2]" 1
715 1 30 VAL H 1 74 ASP H . . 5.270 4.979 4.848 5.096 . 0 0 "[ . 1 . 2]" 1
716 1 17 LEU H 1 17 LEU HB3 . . 4.130 3.008 2.969 3.032 . 0 0 "[ . 1 . 2]" 1
717 1 18 ASP H 1 25 ALA H . . 4.140 3.898 3.675 4.160 0.020 16 0 "[ . 1 . 2]" 1
718 1 18 ASP H 1 22 GLY H . . 4.680 4.513 4.196 4.735 0.055 10 0 "[ . 1 . 2]" 1
719 1 18 ASP H 1 23 SER H . . 4.230 3.943 3.465 4.188 . 0 0 "[ . 1 . 2]" 1
720 1 18 ASP H 1 18 ASP HB2 . . 3.730 2.420 2.152 3.581 . 0 0 "[ . 1 . 2]" 1
721 1 18 ASP H 1 18 ASP HB3 . . 3.730 3.393 2.866 3.593 . 0 0 "[ . 1 . 2]" 1
722 1 17 LEU HB2 1 18 ASP H . . 3.750 2.844 2.792 2.913 . 0 0 "[ . 1 . 2]" 1
723 1 110 MET H 1 110 MET HB3 . . 4.150 3.644 3.601 3.677 . 0 0 "[ . 1 . 2]" 1
724 1 17 LEU HB3 1 18 ASP H . . 4.160 4.105 4.072 4.142 . 0 0 "[ . 1 . 2]" 1
725 1 18 ASP H 1 25 ALA MB . . 3.910 3.393 3.140 3.696 . 0 0 "[ . 1 . 2]" 1
726 1 19 ALA H 1 20 VAL H . . 3.780 2.562 2.438 2.678 . 0 0 "[ . 1 . 2]" 1
727 1 20 VAL H 1 21 ARG H . . 3.280 2.536 2.313 2.943 . 0 0 "[ . 1 . 2]" 1
728 1 20 VAL H 1 23 SER H . . 5.460 5.306 5.182 5.485 0.025 10 0 "[ . 1 . 2]" 1
729 1 20 VAL H 1 20 VAL HB . . 3.410 2.562 2.495 2.685 . 0 0 "[ . 1 . 2]" 1
730 1 21 ARG H 1 21 ARG QD . . 4.030 2.124 1.936 2.380 . 0 0 "[ . 1 . 2]" 1
731 1 20 VAL HB 1 21 ARG H . . 3.630 2.571 2.320 2.739 . 0 0 "[ . 1 . 2]" 1
732 1 21 ARG H 1 23 SER H . . 4.330 3.497 3.351 3.668 . 0 0 "[ . 1 . 2]" 1
733 1 21 ARG H 1 21 ARG HB3 . . 3.870 3.774 3.729 3.787 . 0 0 "[ . 1 . 2]" 1
734 1 21 ARG H 1 21 ARG HG3 . . 3.700 2.995 2.780 3.093 . 0 0 "[ . 1 . 2]" 1
735 1 21 ARG H 1 21 ARG HB2 . . 3.600 2.790 2.749 2.822 . 0 0 "[ . 1 . 2]" 1
736 1 19 ALA HA 1 22 GLY H . . 3.730 3.472 3.190 3.756 0.026 20 0 "[ . 1 . 2]" 1
737 1 20 VAL H 1 22 GLY H . . 3.790 3.469 3.340 3.677 . 0 0 "[ . 1 . 2]" 1
738 1 22 GLY H 1 23 SER H . . 3.360 2.340 2.252 2.373 . 0 0 "[ . 1 . 2]" 1
739 1 23 SER H 1 23 SER HB2 . . 3.680 3.354 3.227 3.412 . 0 0 "[ . 1 . 2]" 1
740 1 23 SER H 1 23 SER HB3 . . 3.680 3.407 3.307 3.544 . 0 0 "[ . 1 . 2]" 1
741 1 25 ALA H 1 25 ALA MB . . 3.440 2.331 2.309 2.347 . 0 0 "[ . 1 . 2]" 1
742 1 24 PRO HB2 1 25 ALA H . . 3.870 3.054 2.971 3.161 . 0 0 "[ . 1 . 2]" 1
743 1 24 PRO HB3 1 25 ALA H . . 3.740 3.697 3.647 3.762 0.022 20 0 "[ . 1 . 2]" 1
744 1 25 ALA H 1 53 GLY HA2 . . 4.430 4.431 4.235 4.455 0.025 5 0 "[ . 1 . 2]" 1
745 1 24 PRO HG2 1 25 ALA H . . 4.720 4.721 4.672 4.784 0.064 20 0 "[ . 1 . 2]" 1
746 1 25 ALA HA 1 26 ILE H . . 3.330 2.183 2.170 2.190 . 0 0 "[ . 1 . 2]" 1
747 1 26 ILE H 1 51 GLU HA . . 5.040 5.007 4.977 5.043 0.003 17 0 "[ . 1 . 2]" 1
748 1 26 ILE H 1 26 ILE HB . . 3.530 2.335 2.331 2.340 . 0 0 "[ . 1 . 2]" 1
749 1 26 ILE H 1 26 ILE HG12 . . 3.780 3.455 3.432 3.502 . 0 0 "[ . 1 . 2]" 1
750 1 26 ILE H 1 26 ILE HG13 . . 4.160 4.148 4.133 4.159 . 0 0 "[ . 1 . 2]" 1
751 1 27 ASN H 1 49 THR H . . 4.730 4.706 4.649 4.784 0.054 17 0 "[ . 1 . 2]" 1
752 1 26 ILE HA 1 27 ASN H . . 3.440 2.199 2.194 2.206 . 0 0 "[ . 1 . 2]" 1
753 1 27 ASN H 1 27 ASN HB2 . . 3.920 3.648 3.641 3.654 . 0 0 "[ . 1 . 2]" 1
754 1 27 ASN H 1 27 ASN HB3 . . 4.150 4.040 4.035 4.046 . 0 0 "[ . 1 . 2]" 1
755 1 26 ILE MD 1 27 ASN H . . 4.050 2.818 2.806 2.839 . 0 0 "[ . 1 . 2]" 1
756 1 27 ASN H 1 28 VAL MG2 . . 4.290 3.887 3.856 3.942 . 0 0 "[ . 1 . 2]" 1
757 1 26 ILE HB 1 27 ASN H . . 4.310 4.257 4.236 4.273 . 0 0 "[ . 1 . 2]" 1
758 1 27 ASN H 1 48 LYS QB . . 3.880 3.701 3.639 3.773 . 0 0 "[ . 1 . 2]" 1
759 1 26 ILE HG12 1 27 ASN H . . 4.220 4.244 4.175 4.267 0.047 12 0 "[ . 1 . 2]" 1
760 1 26 ILE HG13 1 27 ASN H . . 5.280 4.998 4.986 5.013 . 0 0 "[ . 1 . 2]" 1
761 1 26 ILE HA 1 28 VAL H . . 4.360 4.140 4.069 4.207 . 0 0 "[ . 1 . 2]" 1
762 1 28 VAL H 1 48 LYS HA . . 4.330 3.543 3.450 3.685 . 0 0 "[ . 1 . 2]" 1
763 1 27 ASN H 1 28 VAL H . . 3.660 2.851 2.815 2.884 . 0 0 "[ . 1 . 2]" 1
764 1 28 VAL H 1 29 ALA H . . 4.490 4.204 4.184 4.232 . 0 0 "[ . 1 . 2]" 1
765 1 28 VAL H 1 28 VAL HB . . 3.360 2.598 2.574 2.630 . 0 0 "[ . 1 . 2]" 1
766 1 28 VAL H 1 28 VAL MG1 . . 4.030 3.832 3.817 3.847 . 0 0 "[ . 1 . 2]" 1
767 1 28 VAL H 1 28 VAL MG2 . . 3.390 2.803 2.745 2.875 . 0 0 "[ . 1 . 2]" 1
768 1 29 ALA H 1 74 ASP H . . 4.290 4.123 4.005 4.192 . 0 0 "[ . 1 . 2]" 1
769 1 29 ALA H 1 30 VAL H . . 4.810 4.548 4.512 4.569 . 0 0 "[ . 1 . 2]" 1
770 1 29 ALA H 1 29 ALA MB . . 3.140 2.087 2.024 2.165 . 0 0 "[ . 1 . 2]" 1
771 1 30 VAL H 1 30 VAL HB . . 2.950 2.818 2.740 2.871 . 0 0 "[ . 1 . 2]" 1
772 1 30 VAL H 1 30 VAL MG2 . . 3.220 2.976 2.895 3.060 . 0 0 "[ . 1 . 2]" 1
773 1 30 VAL H 1 48 LYS HA . . 3.830 3.259 3.140 3.354 . 0 0 "[ . 1 . 2]" 1
774 1 31 HIS H 1 32 VAL H . . 4.240 4.251 4.201 4.291 0.051 15 0 "[ . 1 . 2]" 1
775 1 31 HIS H 1 74 ASP H . . 5.360 5.129 4.941 5.295 . 0 0 "[ . 1 . 2]" 1
776 1 31 HIS H 1 33 PHE QE . . 5.300 5.077 4.999 5.146 . 0 0 "[ . 1 . 2]" 1
777 1 30 VAL HA 1 31 HIS H . . 3.090 2.165 2.153 2.175 . 0 0 "[ . 1 . 2]" 1
778 1 31 HIS H 1 72 GLU HA . . 4.750 4.631 4.607 4.647 . 0 0 "[ . 1 . 2]" 1
779 1 31 HIS H 1 31 HIS HB2 . . 3.750 2.819 2.763 2.836 . 0 0 "[ . 1 . 2]" 1
780 1 31 HIS H 1 31 HIS HB3 . . 4.050 3.831 3.818 3.838 . 0 0 "[ . 1 . 2]" 1
781 1 31 HIS H 1 72 GLU HB3 . . 4.540 4.258 3.470 4.566 0.026 1 0 "[ . 1 . 2]" 1
782 1 30 VAL HB 1 31 HIS H . . 4.160 4.102 4.034 4.187 0.027 14 0 "[ . 1 . 2]" 1
783 1 31 HIS H 1 71 VAL MG2 . . 5.250 5.213 5.116 5.303 0.053 14 0 "[ . 1 . 2]" 1
784 1 31 HIS H 1 73 ILE HG13 . . 5.100 4.319 4.133 4.544 . 0 0 "[ . 1 . 2]" 1
785 1 30 VAL MG1 1 31 HIS H . . 3.030 2.364 2.210 2.545 . 0 0 "[ . 1 . 2]" 1
786 1 32 VAL H 1 44 PHE QR . . 5.500 4.897 4.757 5.130 . 0 0 "[ . 1 . 2]" 1
787 1 32 VAL H 1 33 PHE QE . . 4.690 4.411 4.270 4.623 . 0 0 "[ . 1 . 2]" 1
788 1 32 VAL H 1 32 VAL HB . . 3.570 2.673 2.644 2.698 . 0 0 "[ . 1 . 2]" 1
789 1 32 VAL H 1 32 VAL MG2 . . 3.290 2.343 2.190 2.489 . 0 0 "[ . 1 . 2]" 1
790 1 32 VAL H 1 71 VAL MG2 . . 4.780 4.500 4.375 4.622 . 0 0 "[ . 1 . 2]" 1
791 1 33 PHE H 1 33 PHE QD . . 3.670 2.938 2.812 3.005 . 0 0 "[ . 1 . 2]" 1
792 1 33 PHE H 1 34 ARG H . . 4.840 4.451 4.435 4.481 . 0 0 "[ . 1 . 2]" 1
793 1 33 PHE H 1 72 GLU H . . 5.370 4.923 4.576 5.117 . 0 0 "[ . 1 . 2]" 1
794 1 33 PHE H 1 70 LYS H . . 3.920 2.784 2.480 3.000 . 0 0 "[ . 1 . 2]" 1
795 1 32 VAL H 1 33 PHE H . . 5.080 4.506 4.458 4.529 . 0 0 "[ . 1 . 2]" 1
796 1 33 PHE H 1 71 VAL H . . 5.410 4.492 4.414 4.559 . 0 0 "[ . 1 . 2]" 1
797 1 32 VAL HA 1 33 PHE H . . 3.340 2.189 2.155 2.214 . 0 0 "[ . 1 . 2]" 1
798 1 33 PHE H 1 44 PHE HB3 . . 4.870 3.630 3.438 3.909 . 0 0 "[ . 1 . 2]" 1
799 1 33 PHE H 1 33 PHE HB2 . . 3.950 2.616 2.534 2.669 . 0 0 "[ . 1 . 2]" 1
800 1 34 ARG H 1 70 LYS H . . 4.880 4.615 4.512 4.717 . 0 0 "[ . 1 . 2]" 1
801 1 34 ARG H 1 44 PHE QR . . 4.520 4.512 4.430 4.547 0.027 5 0 "[ . 1 . 2]" 1
802 1 33 PHE QD 1 34 ARG H . . 3.840 3.516 3.454 3.566 . 0 0 "[ . 1 . 2]" 1
803 1 33 PHE HA 1 34 ARG H . . 3.290 2.424 2.397 2.432 . 0 0 "[ . 1 . 2]" 1
804 1 34 ARG H 1 69 TYR HA . . 5.100 5.052 4.974 5.123 0.023 11 0 "[ . 1 . 2]" 1
805 1 34 ARG H 1 42 GLU HA . . 4.590 4.484 4.411 4.521 . 0 0 "[ . 1 . 2]" 1
806 1 34 ARG H 1 41 TRP HA . . 4.520 4.053 3.975 4.150 . 0 0 "[ . 1 . 2]" 1
807 1 34 ARG H 1 43 PRO HA . . 4.470 4.437 4.326 4.478 0.008 12 0 "[ . 1 . 2]" 1
808 1 33 PHE HB3 1 34 ARG H . . 3.530 2.390 2.370 2.454 . 0 0 "[ . 1 . 2]" 1
809 1 34 ARG H 1 34 ARG HD2 . . 4.840 4.790 4.718 4.841 0.001 7 0 "[ . 1 . 2]" 1
810 1 33 PHE HB2 1 34 ARG H . . 3.900 3.729 3.714 3.777 . 0 0 "[ . 1 . 2]" 1
811 1 34 ARG H 1 42 GLU HB2 . . 4.040 3.254 3.152 3.338 . 0 0 "[ . 1 . 2]" 1
812 1 34 ARG H 1 42 GLU HB3 . . 4.360 4.231 4.136 4.295 . 0 0 "[ . 1 . 2]" 1
813 1 34 ARG H 1 34 ARG HB3 . . 3.720 2.724 2.685 2.743 . 0 0 "[ . 1 . 2]" 1
814 1 34 ARG H 1 34 ARG HB2 . . 3.720 3.130 3.103 3.186 . 0 0 "[ . 1 . 2]" 1
815 1 34 ARG H 1 34 ARG HG2 . . 4.550 4.576 4.554 4.592 0.042 17 0 "[ . 1 . 2]" 1
816 1 35 LYS H 1 35 LYS QE . . 5.360 4.601 4.531 4.724 . 0 0 "[ . 1 . 2]" 1
817 1 35 LYS H 1 35 LYS HB3 . . 3.540 2.245 2.218 2.271 . 0 0 "[ . 1 . 2]" 1
818 1 35 LYS H 1 68 ILE HB . . 3.790 2.692 2.588 2.777 . 0 0 "[ . 1 . 2]" 1
819 1 34 ARG HB2 1 35 LYS H . . 4.550 4.036 3.951 4.115 . 0 0 "[ . 1 . 2]" 1
820 1 35 LYS H 1 35 LYS HB2 . . 3.540 2.853 2.799 2.901 . 0 0 "[ . 1 . 2]" 1
821 1 34 ARG HB3 1 35 LYS H . . 4.550 3.894 3.782 4.023 . 0 0 "[ . 1 . 2]" 1
822 1 35 LYS H 1 35 LYS QG . . 4.040 3.872 3.841 3.898 . 0 0 "[ . 1 . 2]" 1
823 1 34 ARG HG2 1 35 LYS H . . 3.690 2.151 1.933 2.360 . 0 0 "[ . 1 . 2]" 1
824 1 107 ILE MD 1 108 ALA H . . 5.100 5.072 4.941 5.132 0.032 17 0 "[ . 1 . 2]" 1
825 1 36 ALA H 1 37 ALA H . . 4.660 4.625 4.618 4.629 . 0 0 "[ . 1 . 2]" 1
826 1 36 ALA H 1 36 ALA MB . . 2.870 2.157 2.050 2.219 . 0 0 "[ . 1 . 2]" 1
827 1 35 LYS QG 1 36 ALA H . . 3.570 3.708 3.696 3.735 0.165 5 0 "[ . 1 . 2]" 1
828 1 36 ALA HA 1 37 ALA H . . 2.990 2.334 2.314 2.362 . 0 0 "[ . 1 . 2]" 1
829 1 37 ALA H 1 37 ALA MB . . 2.690 2.185 2.104 2.233 . 0 0 "[ . 1 . 2]" 1
830 1 37 ALA H 1 38 ASP H . . 3.400 2.659 2.644 2.675 . 0 0 "[ . 1 . 2]" 1
831 1 38 ASP H 1 39 ASP H . . 3.060 2.615 2.595 2.649 . 0 0 "[ . 1 . 2]" 1
832 1 37 ALA HA 1 38 ASP H . . 3.540 3.428 3.422 3.435 . 0 0 "[ . 1 . 2]" 1
833 1 38 ASP H 1 38 ASP HB2 . . 3.580 2.239 2.210 2.285 . 0 0 "[ . 1 . 2]" 1
834 1 38 ASP H 1 38 ASP HB3 . . 3.580 3.433 3.091 3.503 . 0 0 "[ . 1 . 2]" 1
835 1 39 ASP H 1 39 ASP HA . . 2.760 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
836 1 38 ASP HA 1 39 ASP H . . 3.350 3.078 3.056 3.088 . 0 0 "[ . 1 . 2]" 1
837 1 37 ALA H 1 39 ASP H . . 4.400 4.282 4.267 4.299 . 0 0 "[ . 1 . 2]" 1
838 1 36 ALA H 1 39 ASP H . . 4.430 4.490 4.468 4.513 0.083 18 0 "[ . 1 . 2]" 1
839 1 39 ASP H 1 39 ASP QB . . 3.630 3.351 2.953 3.452 . 0 0 "[ . 1 . 2]" 1
840 1 38 ASP HB2 1 39 ASP H . . 4.310 4.010 3.960 4.232 . 0 0 "[ . 1 . 2]" 1
841 1 38 ASP HB3 1 39 ASP H . . 4.310 4.180 3.983 4.236 . 0 0 "[ . 1 . 2]" 1
842 1 35 LYS QE 1 39 ASP H . . 4.840 4.743 4.393 4.850 0.010 13 0 "[ . 1 . 2]" 1
843 1 36 ALA MB 1 39 ASP H . . 3.500 3.381 3.329 3.435 . 0 0 "[ . 1 . 2]" 1
844 1 39 ASP H 1 40 THR MG . . 3.860 3.730 3.709 3.789 . 0 0 "[ . 1 . 2]" 1
845 1 35 LYS QD 1 39 ASP H . . 3.550 3.018 2.913 3.053 . 0 0 "[ . 1 . 2]" 1
846 1 35 LYS QG 1 39 ASP H . . 4.400 4.339 4.308 4.393 . 0 0 "[ . 1 . 2]" 1
847 1 36 ALA H 1 40 THR H . . 3.910 2.888 2.741 2.994 . 0 0 "[ . 1 . 2]" 1
848 1 39 ASP H 1 40 THR H . . 3.090 2.642 2.605 2.698 . 0 0 "[ . 1 . 2]" 1
849 1 38 ASP H 1 40 THR H . . 3.590 3.434 3.348 3.535 . 0 0 "[ . 1 . 2]" 1
850 1 39 ASP HA 1 40 THR H . . 3.280 2.807 2.744 2.869 . 0 0 "[ . 1 . 2]" 1
851 1 35 LYS HA 1 40 THR H . . 4.510 4.390 4.237 4.525 0.015 14 0 "[ . 1 . 2]" 1
852 1 40 THR H 1 40 THR MG . . 2.960 2.505 2.422 2.653 . 0 0 "[ . 1 . 2]" 1
853 1 35 LYS QD 1 40 THR H . . 3.790 2.964 2.720 3.105 . 0 0 "[ . 1 . 2]" 1
854 1 36 ALA MB 1 40 THR H . . 3.200 2.199 2.087 2.391 . 0 0 "[ . 1 . 2]" 1
855 1 35 LYS QE 1 40 THR H . . 4.320 4.170 3.994 4.318 . 0 0 "[ . 1 . 2]" 1
856 1 41 TRP H 1 41 TRP HE1 . . 5.500 5.337 5.198 5.465 . 0 0 "[ . 1 . 2]" 1
857 1 41 TRP H 1 41 TRP HB2 . . 3.250 2.407 2.392 2.433 . 0 0 "[ . 1 . 2]" 1
858 1 41 TRP H 1 41 TRP HB3 . . 3.810 3.637 3.627 3.655 . 0 0 "[ . 1 . 2]" 1
859 1 40 THR HA 1 41 TRP H . . 2.720 2.588 2.558 2.685 . 0 0 "[ . 1 . 2]" 1
860 1 41 TRP H 1 42 GLU H . . 4.280 4.208 4.169 4.224 . 0 0 "[ . 1 . 2]" 1
861 1 40 THR H 1 41 TRP H . . 4.520 4.430 4.377 4.450 . 0 0 "[ . 1 . 2]" 1
862 1 41 TRP H 1 41 TRP HD1 . . 3.520 2.869 2.665 3.067 . 0 0 "[ . 1 . 2]" 1
863 1 40 THR MG 1 41 TRP H . . 3.830 3.747 3.688 3.773 . 0 0 "[ . 1 . 2]" 1
864 1 34 ARG H 1 42 GLU H . . 3.630 2.794 2.762 2.850 . 0 0 "[ . 1 . 2]" 1
865 1 36 ALA H 1 42 GLU H . . 3.910 3.366 3.278 3.425 . 0 0 "[ . 1 . 2]" 1
866 1 71 VAL H 1 93 VAL H . . 3.760 3.137 2.740 3.420 . 0 0 "[ . 1 . 2]" 1
867 1 35 LYS H 1 42 GLU H . . 5.000 5.007 4.924 5.042 0.042 4 0 "[ . 1 . 2]" 1
868 1 70 LYS HA 1 71 VAL H . . 3.510 2.170 2.166 2.173 . 0 0 "[ . 1 . 2]" 1
869 1 42 GLU H 1 42 GLU QG . . 3.450 2.889 2.754 3.011 . 0 0 "[ . 1 . 2]" 1
870 1 42 GLU H 1 42 GLU HB2 . . 3.370 2.349 2.315 2.396 . 0 0 "[ . 1 . 2]" 1
871 1 42 GLU H 1 42 GLU HB3 . . 3.730 3.598 3.575 3.626 . 0 0 "[ . 1 . 2]" 1
872 1 41 TRP HB2 1 42 GLU H . . 4.540 4.490 4.475 4.505 . 0 0 "[ . 1 . 2]" 1
873 1 41 TRP HB3 1 42 GLU H . . 3.940 3.744 3.735 3.756 . 0 0 "[ . 1 . 2]" 1
874 1 33 PHE HB3 1 42 GLU H . . 4.240 3.315 3.232 3.367 . 0 0 "[ . 1 . 2]" 1
875 1 71 VAL H 1 92 GLU HB2 . . 4.800 4.427 3.885 4.834 0.034 16 0 "[ . 1 . 2]" 1
876 1 71 VAL H 1 71 VAL MG2 . . 3.520 2.601 2.470 2.700 . 0 0 "[ . 1 . 2]" 1
877 1 71 VAL H 1 94 VAL MG2 . . 3.760 3.586 3.224 3.769 0.009 5 0 "[ . 1 . 2]" 1
878 1 71 VAL H 1 71 VAL MG1 . . 3.910 3.800 3.765 3.815 . 0 0 "[ . 1 . 2]" 1
879 1 70 LYS HB2 1 71 VAL H . . 4.590 4.194 3.760 4.477 . 0 0 "[ . 1 . 2]" 1
880 1 32 VAL H 1 44 PHE H . . 4.820 4.570 4.505 4.656 . 0 0 "[ . 1 . 2]" 1
881 1 34 ARG H 1 44 PHE H . . 3.990 3.988 3.931 4.027 0.037 17 0 "[ . 1 . 2]" 1
882 1 44 PHE H 1 44 PHE QR . . 4.300 4.163 4.140 4.188 . 0 0 "[ . 1 . 2]" 1
883 1 33 PHE QD 1 44 PHE H . . 4.190 3.951 3.856 4.071 . 0 0 "[ . 1 . 2]" 1
884 1 33 PHE HA 1 44 PHE H . . 3.530 2.123 2.053 2.237 . 0 0 "[ . 1 . 2]" 1
885 1 43 PRO HA 1 44 PHE H . . 3.250 2.160 2.156 2.164 . 0 0 "[ . 1 . 2]" 1
886 1 44 PHE H 1 44 PHE HB3 . . 3.660 2.559 2.529 2.603 . 0 0 "[ . 1 . 2]" 1
887 1 44 PHE H 1 44 PHE HB2 . . 3.820 2.839 2.790 2.888 . 0 0 "[ . 1 . 2]" 1
888 1 43 PRO HB2 1 44 PHE H . . 3.940 3.787 3.749 3.813 . 0 0 "[ . 1 . 2]" 1
889 1 32 VAL HB 1 44 PHE H . . 4.370 4.057 3.990 4.114 . 0 0 "[ . 1 . 2]" 1
890 1 43 PRO HB3 1 44 PHE H . . 4.220 4.178 4.151 4.196 . 0 0 "[ . 1 . 2]" 1
891 1 43 PRO HD2 1 44 PHE H . . 5.500 5.482 5.467 5.503 0.003 4 0 "[ . 1 . 2]" 1
892 1 45 ALA H 1 45 ALA MB . . 3.170 2.880 2.808 2.909 . 0 0 "[ . 1 . 2]" 1
893 1 33 PHE HA 1 45 ALA H . . 3.900 3.779 3.728 3.829 . 0 0 "[ . 1 . 2]" 1
894 1 32 VAL H 1 46 SER H . . 4.440 4.333 4.199 4.407 . 0 0 "[ . 1 . 2]" 1
895 1 46 SER H 1 47 GLY H . . 4.360 4.263 4.193 4.330 . 0 0 "[ . 1 . 2]" 1
896 1 45 ALA H 1 46 SER H . . 4.420 4.365 4.360 4.377 . 0 0 "[ . 1 . 2]" 1
897 1 44 PHE QR 1 46 SER H . . 5.450 5.286 5.102 5.444 . 0 0 "[ . 1 . 2]" 1
898 1 44 PHE H 1 45 ALA H . . 3.260 2.171 2.105 2.255 . 0 0 "[ . 1 . 2]" 1
899 1 32 VAL H 1 45 ALA H . . 3.650 3.159 3.094 3.230 . 0 0 "[ . 1 . 2]" 1
900 1 45 ALA HA 1 46 SER H . . 2.750 2.539 2.533 2.546 . 0 0 "[ . 1 . 2]" 1
901 1 46 SER H 1 46 SER HB2 . . 3.950 3.814 3.742 3.864 . 0 0 "[ . 1 . 2]" 1
902 1 46 SER H 1 46 SER HB3 . . 3.590 2.999 2.974 3.018 . 0 0 "[ . 1 . 2]" 1
903 1 32 VAL H 1 47 GLY H . . 5.010 4.977 4.884 5.038 0.028 4 0 "[ . 1 . 2]" 1
904 1 46 SER HB3 1 47 GLY H . . 4.180 4.126 3.981 4.198 0.018 12 0 "[ . 1 . 2]" 1
905 1 29 ALA HA 1 47 GLY H . . 4.860 4.663 4.597 4.804 . 0 0 "[ . 1 . 2]" 1
906 1 46 SER HA 1 47 GLY H . . 3.150 2.284 2.222 2.372 . 0 0 "[ . 1 . 2]" 1
907 1 31 HIS HA 1 47 GLY H . . 3.950 3.665 3.563 3.756 . 0 0 "[ . 1 . 2]" 1
908 1 30 VAL HB 1 47 GLY H . . 3.740 3.433 3.055 3.737 . 0 0 "[ . 1 . 2]" 1
909 1 47 GLY H 1 55 LEU MD2 . . 5.290 4.085 3.314 4.803 . 0 0 "[ . 1 . 2]" 1
910 1 47 GLY H 1 58 LEU MD1 . . 3.930 3.651 3.262 3.939 0.009 12 0 "[ . 1 . 2]" 1
911 1 47 GLY H 1 58 LEU MD2 . . 3.930 3.396 2.997 3.930 . 0 0 "[ . 1 . 2]" 1
912 1 47 GLY H 1 48 LYS H . . 4.360 4.330 4.232 4.390 0.030 5 0 "[ . 1 . 2]" 1
913 1 48 LYS H 1 48 LYS QE . . 4.310 4.020 3.665 4.269 . 0 0 "[ . 1 . 2]" 1
914 1 48 LYS H 1 48 LYS QB . . 3.010 2.496 2.310 2.607 . 0 0 "[ . 1 . 2]" 1
915 1 29 ALA H 1 49 THR H . . 5.390 5.031 4.960 5.134 . 0 0 "[ . 1 . 2]" 1
916 1 28 VAL H 1 49 THR H . . 3.440 2.591 2.483 2.729 . 0 0 "[ . 1 . 2]" 1
917 1 49 THR H 1 49 THR MG . . 3.170 2.006 1.915 2.108 . 0 0 "[ . 1 . 2]" 1
918 1 28 VAL HB 1 49 THR H . . 3.820 2.759 2.686 2.821 . 0 0 "[ . 1 . 2]" 1
919 1 48 LYS QB 1 49 THR H . . 3.320 3.200 3.131 3.315 . 0 0 "[ . 1 . 2]" 1
920 1 48 LYS HG3 1 49 THR H . . 4.960 4.625 4.566 4.648 . 0 0 "[ . 1 . 2]" 1
921 1 49 THR H 1 55 LEU HG . . 5.400 3.814 3.570 5.218 . 0 0 "[ . 1 . 2]" 1
922 1 48 LYS HG2 1 49 THR H . . 3.950 3.634 3.530 3.695 . 0 0 "[ . 1 . 2]" 1
923 1 49 THR H 1 55 LEU MD2 . . 4.710 4.391 2.656 4.716 0.006 8 0 "[ . 1 . 2]" 1
924 1 28 VAL MG2 1 49 THR H . . 4.130 4.081 3.978 4.167 0.037 17 0 "[ . 1 . 2]" 1
925 1 49 THR H 1 49 THR HB . . 3.930 3.610 3.603 3.613 . 0 0 "[ . 1 . 2]" 1
926 1 29 ALA HA 1 49 THR H . . 4.750 4.529 4.472 4.614 . 0 0 "[ . 1 . 2]" 1
927 1 27 ASN HA 1 49 THR H . . 4.840 4.570 4.450 4.762 . 0 0 "[ . 1 . 2]" 1
928 1 48 LYS HA 1 49 THR H . . 3.200 2.170 2.154 2.189 . 0 0 "[ . 1 . 2]" 1
929 1 50 SER H 1 51 GLU H . . 4.660 4.445 4.441 4.472 . 0 0 "[ . 1 . 2]" 1
930 1 50 SER H 1 54 GLU H . . 4.060 3.108 2.777 3.362 . 0 0 "[ . 1 . 2]" 1
931 1 50 SER H 1 50 SER HB3 . . 3.940 3.147 2.716 3.839 . 0 0 "[ . 1 . 2]" 1
932 1 49 THR HB 1 50 SER H . . 3.440 2.265 2.216 2.798 . 0 0 "[ . 1 . 2]" 1
933 1 50 SER H 1 50 SER HB2 . . 3.940 2.922 2.589 3.843 . 0 0 "[ . 1 . 2]" 1
934 1 49 THR HA 1 50 SER H . . 3.360 2.485 2.262 2.511 . 0 0 "[ . 1 . 2]" 1
935 1 50 SER H 1 53 GLY HA2 . . 4.060 3.664 3.613 3.848 . 0 0 "[ . 1 . 2]" 1
936 1 50 SER HB3 1 51 GLU H . . 3.820 2.883 2.166 3.792 . 0 0 "[ . 1 . 2]" 1
937 1 50 SER HB2 1 51 GLU H . . 3.820 3.550 2.351 3.790 . 0 0 "[ . 1 . 2]" 1
938 1 26 ILE HA 1 51 GLU H . . 4.850 4.267 4.231 4.333 . 0 0 "[ . 1 . 2]" 1
939 1 51 GLU H 1 52 SER HB2 . . 5.380 4.803 4.493 4.959 . 0 0 "[ . 1 . 2]" 1
940 1 51 GLU H 1 51 GLU QB . . 3.010 2.681 2.675 2.692 . 0 0 "[ . 1 . 2]" 1
941 1 26 ILE MD 1 51 GLU H . . 4.050 1.874 1.869 1.888 . 0 0 "[ . 1 . 2]" 1
942 1 52 SER H 1 53 GLY H . . 3.330 2.307 2.276 2.359 . 0 0 "[ . 1 . 2]" 1
943 1 51 GLU H 1 52 SER H . . 3.730 2.597 2.594 2.603 . 0 0 "[ . 1 . 2]" 1
944 1 50 SER HA 1 52 SER H . . 4.110 3.995 3.985 4.012 . 0 0 "[ . 1 . 2]" 1
945 1 51 GLU HA 1 52 SER H . . 3.520 3.335 3.326 3.345 . 0 0 "[ . 1 . 2]" 1
946 1 52 SER H 1 52 SER HB3 . . 3.790 2.569 2.453 2.883 . 0 0 "[ . 1 . 2]" 1
947 1 52 SER H 1 52 SER HB2 . . 3.510 2.832 2.519 2.977 . 0 0 "[ . 1 . 2]" 1
948 1 51 GLU QB 1 52 SER H . . 4.000 3.762 3.748 3.772 . 0 0 "[ . 1 . 2]" 1
949 1 24 PRO HB3 1 52 SER H . . 5.470 5.220 5.133 5.261 . 0 0 "[ . 1 . 2]" 1
950 1 24 PRO HG3 1 52 SER H . . 5.500 5.129 5.089 5.164 . 0 0 "[ . 1 . 2]" 1
951 1 26 ILE MD 1 52 SER H . . 4.200 4.082 4.078 4.099 . 0 0 "[ . 1 . 2]" 1
952 1 51 GLU H 1 53 GLY H . . 4.240 4.197 4.169 4.222 . 0 0 "[ . 1 . 2]" 1
953 1 52 SER H 1 54 GLU H . . 3.920 3.315 3.238 3.379 . 0 0 "[ . 1 . 2]" 1
954 1 53 GLY H 1 54 GLU H . . 3.390 2.566 2.525 2.627 . 0 0 "[ . 1 . 2]" 1
955 1 54 GLU H 1 54 GLU QB . . 3.800 3.027 2.772 3.136 . 0 0 "[ . 1 . 2]" 1
956 1 55 LEU H 1 55 LEU MD1 . . 4.640 4.262 3.758 4.592 . 0 0 "[ . 1 . 2]" 1
957 1 54 GLU QB 1 55 LEU H . . 4.510 2.886 2.625 3.161 . 0 0 "[ . 1 . 2]" 1
958 1 13 MET QB 1 55 LEU H . . 4.080 3.588 3.064 3.975 . 0 0 "[ . 1 . 2]" 1
959 1 14 VAL HB 1 55 LEU H . . 4.250 3.607 3.173 3.954 . 0 0 "[ . 1 . 2]" 1
960 1 55 LEU H 1 55 LEU HG . . 4.620 4.316 4.101 4.655 0.035 17 0 "[ . 1 . 2]" 1
961 1 55 LEU H 1 55 LEU HB2 . . 3.900 2.439 2.136 2.698 . 0 0 "[ . 1 . 2]" 1
962 1 55 LEU H 1 55 LEU MD2 . . 4.640 4.354 3.740 4.517 . 0 0 "[ . 1 . 2]" 1
963 1 14 VAL MG1 1 55 LEU H . . 5.170 4.852 4.429 5.179 0.009 11 0 "[ . 1 . 2]" 1
964 1 14 VAL MG2 1 55 LEU H . . 5.500 4.415 4.198 4.662 . 0 0 "[ . 1 . 2]" 1
965 1 54 GLU HA 1 55 LEU H . . 3.480 2.228 2.155 2.306 . 0 0 "[ . 1 . 2]" 1
966 1 49 THR HA 1 55 LEU H . . 5.030 4.740 4.155 5.041 0.011 20 0 "[ . 1 . 2]" 1
967 1 58 LEU H 1 59 THR H . . 3.920 2.430 2.137 2.694 . 0 0 "[ . 1 . 2]" 1
968 1 57 GLY H 1 58 LEU H . . 4.160 2.996 1.910 4.203 0.043 17 0 "[ . 1 . 2]" 1
969 1 58 LEU H 1 58 LEU MD1 . . 4.430 3.232 2.118 4.014 . 0 0 "[ . 1 . 2]" 1
970 1 59 THR H 1 59 THR MG . . 3.960 2.185 1.914 2.699 . 0 0 "[ . 1 . 2]" 1
971 1 60 THR H 1 63 GLU QB . . 3.620 2.871 2.087 3.300 . 0 0 "[ . 1 . 2]" 1
972 1 60 THR H 1 60 THR MG . . 3.400 3.270 3.100 3.321 . 0 0 "[ . 1 . 2]" 1
973 1 59 THR MG 1 60 THR H . . 4.110 3.937 3.775 4.050 . 0 0 "[ . 1 . 2]" 1
974 1 60 THR H 1 61 GLU H . . 4.550 4.388 4.361 4.410 . 0 0 "[ . 1 . 2]" 1
975 1 60 THR HB 1 61 GLU H . . 3.640 2.148 1.935 2.409 . 0 0 "[ . 1 . 2]" 1
976 1 61 GLU H 1 61 GLU QG . . 3.860 2.007 1.920 2.147 . 0 0 "[ . 1 . 2]" 1
977 1 61 GLU H 1 61 GLU QB . . 3.320 2.580 2.507 2.691 . 0 0 "[ . 1 . 2]" 1
978 1 62 GLU H 1 63 GLU H . . 3.780 2.564 2.502 2.655 . 0 0 "[ . 1 . 2]" 1
979 1 61 GLU H 1 62 GLU H . . 3.770 2.604 2.434 2.668 . 0 0 "[ . 1 . 2]" 1
980 1 61 GLU QG 1 62 GLU H . . 3.450 2.647 2.534 2.730 . 0 0 "[ . 1 . 2]" 1
981 1 62 GLU H 1 62 GLU HB2 . . 3.640 2.269 2.101 3.600 . 0 0 "[ . 1 . 2]" 1
982 1 62 GLU H 1 62 GLU HB3 . . 3.640 3.447 2.780 3.583 . 0 0 "[ . 1 . 2]" 1
983 1 60 THR MG 1 62 GLU H . . 4.170 4.085 3.999 4.186 0.016 8 0 "[ . 1 . 2]" 1
984 1 60 THR MG 1 61 GLU H . . 3.730 3.480 3.410 3.556 . 0 0 "[ . 1 . 2]" 1
985 1 61 GLU HA 1 63 GLU H . . 4.350 3.393 3.328 3.479 . 0 0 "[ . 1 . 2]" 1
986 1 63 GLU H 1 63 GLU QG . . 3.350 2.311 2.110 3.356 0.006 15 0 "[ . 1 . 2]" 1
987 1 63 GLU H 1 63 GLU QB . . 3.590 2.412 2.296 2.485 . 0 0 "[ . 1 . 2]" 1
988 1 63 GLU H 1 64 PHE H . . 3.680 2.587 2.564 2.601 . 0 0 "[ . 1 . 2]" 1
989 1 64 PHE H 1 64 PHE QD . . 4.290 3.669 1.923 4.224 . 0 0 "[ . 1 . 2]" 1
990 1 64 PHE H 1 64 PHE QB . . 3.590 2.274 2.202 2.378 . 0 0 "[ . 1 . 2]" 1
991 1 63 GLU QG 1 64 PHE H . . 3.780 2.622 2.274 3.284 . 0 0 "[ . 1 . 2]" 1
992 1 63 GLU QB 1 64 PHE H . . 4.050 3.703 3.603 3.790 . 0 0 "[ . 1 . 2]" 1
993 1 64 PHE H 1 65 VAL MG2 . . 4.180 4.138 3.986 4.205 0.025 20 0 "[ . 1 . 2]" 1
994 1 65 VAL H 1 65 VAL MG2 . . 3.060 2.175 2.005 2.304 . 0 0 "[ . 1 . 2]" 1
995 1 65 VAL H 1 65 VAL HB . . 4.180 3.755 3.614 3.839 . 0 0 "[ . 1 . 2]" 1
996 1 64 PHE QD 1 65 VAL H . . 4.820 4.507 3.147 4.827 0.007 4 0 "[ . 1 . 2]" 1
997 1 64 PHE HA 1 65 VAL H . . 3.550 2.636 2.522 3.153 . 0 0 "[ . 1 . 2]" 1
998 1 66 GLU H 1 67 GLY H . . 4.190 2.884 2.840 2.946 . 0 0 "[ . 1 . 2]" 1
999 1 65 VAL H 1 66 GLU H . . 4.610 4.421 4.385 4.528 . 0 0 "[ . 1 . 2]" 1
1000 1 65 VAL HB 1 66 GLU H . . 3.280 1.936 1.919 1.942 . 0 0 "[ . 1 . 2]" 1
1001 1 66 GLU H 1 66 GLU HG3 . . 3.960 2.873 1.993 3.351 . 0 0 "[ . 1 . 2]" 1
1002 1 66 GLU H 1 66 GLU HG2 . . 3.960 2.458 2.018 2.975 . 0 0 "[ . 1 . 2]" 1
1003 1 66 GLU H 1 66 GLU HB3 . . 3.680 3.593 3.584 3.598 . 0 0 "[ . 1 . 2]" 1
1004 1 66 GLU H 1 66 GLU HB2 . . 3.390 2.555 2.457 2.687 . 0 0 "[ . 1 . 2]" 1
1005 1 65 VAL HA 1 66 GLU H . . 3.100 2.626 2.621 2.635 . 0 0 "[ . 1 . 2]" 1
1006 1 68 ILE H 1 68 ILE MD . . 3.430 3.410 3.059 3.481 0.051 8 0 "[ . 1 . 2]" 1
1007 1 68 ILE H 1 97 ALA MB . . 3.330 3.188 2.759 3.373 0.043 14 0 "[ . 1 . 2]" 1
1008 1 68 ILE H 1 68 ILE HG13 . . 3.830 1.986 1.922 2.213 . 0 0 "[ . 1 . 2]" 1
1009 1 68 ILE H 1 68 ILE HB . . 3.160 2.612 2.518 2.658 . 0 0 "[ . 1 . 2]" 1
1010 1 68 ILE H 1 68 ILE HG12 . . 3.830 3.349 3.224 3.702 . 0 0 "[ . 1 . 2]" 1
1011 1 67 GLY HA3 1 68 ILE H . . 3.530 3.211 3.121 3.288 . 0 0 "[ . 1 . 2]" 1
1012 1 67 GLY HA2 1 68 ILE H . . 3.530 3.334 3.266 3.405 . 0 0 "[ . 1 . 2]" 1
1013 1 68 ILE H 1 69 TYR H . . 5.410 4.463 4.365 4.525 . 0 0 "[ . 1 . 2]" 1
1014 1 69 TYR H 1 69 TYR HB3 . . 4.090 3.889 3.864 3.909 . 0 0 "[ . 1 . 2]" 1
1015 1 69 TYR H 1 69 TYR HB2 . . 3.700 2.848 2.790 2.901 . 0 0 "[ . 1 . 2]" 1
1016 1 69 TYR H 1 69 TYR QR . . 3.720 3.553 3.440 3.650 . 0 0 "[ . 1 . 2]" 1
1017 1 41 TRP HA 1 42 GLU H . . 3.180 2.161 2.160 2.162 . 0 0 "[ . 1 . 2]" 1
1018 1 71 VAL H 1 71 VAL HB . . 3.810 2.521 2.451 2.569 . 0 0 "[ . 1 . 2]" 1
1019 1 33 PHE QD 1 42 GLU H . . 3.930 3.376 3.287 3.469 . 0 0 "[ . 1 . 2]" 1
1020 1 32 VAL HA 1 71 VAL H . . 5.000 4.469 4.409 4.556 . 0 0 "[ . 1 . 2]" 1
1021 1 33 PHE HA 1 42 GLU H . . 5.470 4.726 4.668 4.763 . 0 0 "[ . 1 . 2]" 1
1022 1 42 GLU H 1 43 PRO HD3 . . 5.140 5.027 5.008 5.042 . 0 0 "[ . 1 . 2]" 1
1023 1 42 GLU H 1 43 PRO HD2 . . 5.060 4.815 4.806 4.824 . 0 0 "[ . 1 . 2]" 1
1024 1 35 LYS HA 1 42 GLU H . . 4.070 3.941 3.877 4.001 . 0 0 "[ . 1 . 2]" 1
1025 1 32 VAL HA 1 72 GLU H . . 4.030 3.499 3.203 3.589 . 0 0 "[ . 1 . 2]" 1
1026 1 31 HIS H 1 72 GLU H . . 3.830 2.721 2.626 2.901 . 0 0 "[ . 1 . 2]" 1
1027 1 72 GLU H 1 72 GLU HB2 . . 3.880 3.706 3.361 3.857 . 0 0 "[ . 1 . 2]" 1
1028 1 72 GLU H 1 72 GLU HB3 . . 3.810 2.695 2.342 2.905 . 0 0 "[ . 1 . 2]" 1
1029 1 33 PHE QE 1 72 GLU H . . 5.010 5.031 5.020 5.056 0.046 9 0 "[ . 1 . 2]" 1
1030 1 72 GLU HA 1 73 ILE H . . 3.380 2.195 2.180 2.207 . 0 0 "[ . 1 . 2]" 1
1031 1 73 ILE H 1 73 ILE HG13 . . 4.170 3.053 2.889 3.290 . 0 0 "[ . 1 . 2]" 1
1032 1 73 ILE H 1 73 ILE HG12 . . 4.520 4.322 4.206 4.479 . 0 0 "[ . 1 . 2]" 1
1033 1 73 ILE H 1 73 ILE HB . . 3.810 2.622 2.567 2.694 . 0 0 "[ . 1 . 2]" 1
1034 1 72 GLU H 1 73 ILE H . . 4.530 4.423 4.374 4.483 . 0 0 "[ . 1 . 2]" 1
1035 1 28 VAL HA 1 74 ASP H . . 5.410 5.308 5.131 5.416 0.006 11 0 "[ . 1 . 2]" 1
1036 1 75 THR H 1 75 THR MG . . 3.450 2.319 2.004 2.838 . 0 0 "[ . 1 . 2]" 1
1037 1 75 THR H 1 75 THR HB . . 4.190 3.613 3.030 3.749 . 0 0 "[ . 1 . 2]" 1
1038 1 75 THR H 1 76 LYS HG2 . . 5.500 4.864 4.557 5.369 . 0 0 "[ . 1 . 2]" 1
1039 1 75 THR H 1 76 LYS HG3 . . 5.500 4.033 3.483 4.787 . 0 0 "[ . 1 . 2]" 1
1040 1 75 THR H 1 76 LYS QB . . 4.440 4.319 4.159 4.489 0.049 6 0 "[ . 1 . 2]" 1
1041 1 73 ILE MG 1 75 THR H . . 3.870 3.413 2.616 3.769 . 0 0 "[ . 1 . 2]" 1
1042 1 76 LYS H 1 76 LYS QB . . 3.730 2.545 2.302 2.721 . 0 0 "[ . 1 . 2]" 1
1043 1 74 ASP HA 1 76 LYS H . . 4.470 3.306 3.084 3.558 . 0 0 "[ . 1 . 2]" 1
1044 1 76 LYS H 1 79 TRP H . . 5.020 4.799 4.336 5.090 0.070 12 0 "[ . 1 . 2]" 1
1045 1 77 SER H 1 77 SER QB . . 3.400 2.576 2.142 2.976 . 0 0 "[ . 1 . 2]" 1
1046 1 77 SER H 1 79 TRP H . . 4.370 4.022 3.659 4.377 0.007 18 0 "[ . 1 . 2]" 1
1047 1 76 LYS H 1 77 SER H . . 3.990 2.604 2.336 2.831 . 0 0 "[ . 1 . 2]" 1
1048 1 76 LYS QB 1 77 SER H . . 3.480 3.389 3.267 3.517 0.037 6 0 "[ . 1 . 2]" 1
1049 1 76 LYS QD 1 77 SER H . . 4.180 2.626 2.372 3.326 . 0 0 "[ . 1 . 2]" 1
1050 1 76 LYS HG3 1 77 SER H . . 3.950 1.978 1.868 2.330 . 0 0 "[ . 1 . 2]" 1
1051 1 78 TYR H 1 78 TYR HB2 . . 3.930 2.610 2.124 2.929 . 0 0 "[ . 1 . 2]" 1
1052 1 78 TYR H 1 78 TYR HB3 . . 3.930 2.732 2.295 3.587 . 0 0 "[ . 1 . 2]" 1
1053 1 77 SER QB 1 78 TYR H . . 4.230 3.269 2.523 3.684 . 0 0 "[ . 1 . 2]" 1
1054 1 77 SER H 1 78 TYR H . . 3.890 2.303 2.244 2.412 . 0 0 "[ . 1 . 2]" 1
1055 1 79 TRP H 1 79 TRP HB2 . . 3.860 2.729 2.090 3.609 . 0 0 "[ . 1 . 2]" 1
1056 1 79 TRP H 1 79 TRP HB3 . . 3.860 3.086 2.115 3.624 . 0 0 "[ . 1 . 2]" 1
1057 1 80 LYS H 1 81 ALA H . . 3.690 2.428 2.317 2.575 . 0 0 "[ . 1 . 2]" 1
1058 1 81 ALA H 1 81 ALA MB . . 2.880 2.114 2.050 2.214 . 0 0 "[ . 1 . 2]" 1
1059 1 80 LYS HB3 1 81 ALA H . . 4.030 3.974 3.909 4.015 . 0 0 "[ . 1 . 2]" 1
1060 1 81 ALA H 1 82 LEU H . . 3.350 2.453 2.370 2.584 . 0 0 "[ . 1 . 2]" 1
1061 1 80 LYS H 1 82 LEU H . . 4.470 4.303 4.160 4.482 0.012 15 0 "[ . 1 . 2]" 1
1062 1 81 ALA MB 1 82 LEU H . . 3.170 2.613 2.534 2.672 . 0 0 "[ . 1 . 2]" 1
1063 1 82 LEU H 1 82 LEU HB2 . . 3.250 2.496 2.452 2.610 . 0 0 "[ . 1 . 2]" 1
1064 1 78 TYR HA 1 82 LEU H . . 5.000 4.599 4.079 5.002 0.002 17 0 "[ . 1 . 2]" 1
1065 1 82 LEU H 1 83 GLY HA2 . . 4.950 4.600 4.436 4.753 . 0 0 "[ . 1 . 2]" 1
1066 1 82 LEU HA 1 83 GLY H . . 3.470 3.184 3.092 3.352 . 0 0 "[ . 1 . 2]" 1
1067 1 81 ALA H 1 83 GLY H . . 3.820 3.526 3.278 3.807 . 0 0 "[ . 1 . 2]" 1
1068 1 82 LEU H 1 83 GLY H . . 3.110 2.434 2.196 2.623 . 0 0 "[ . 1 . 2]" 1
1069 1 82 LEU HB2 1 83 GLY H . . 3.810 3.684 3.323 3.851 0.041 15 0 "[ . 1 . 2]" 1
1070 1 81 ALA MB 1 83 GLY H . . 4.300 4.154 4.124 4.171 . 0 0 "[ . 1 . 2]" 1
1071 1 83 GLY H 1 84 ILE HG12 . . 4.420 3.732 3.499 3.771 . 0 0 "[ . 1 . 2]" 1
1072 1 83 GLY H 1 84 ILE MD . . 4.620 4.350 4.102 4.524 . 0 0 "[ . 1 . 2]" 1
1073 1 82 LEU MD1 1 83 GLY H . . 4.390 4.368 4.269 4.398 0.008 10 0 "[ . 1 . 2]" 1
1074 1 82 LEU MD2 1 83 GLY H . . 4.280 4.097 3.916 4.204 . 0 0 "[ . 1 . 2]" 1
1075 1 80 LYS H 1 84 ILE H . . 5.170 4.749 4.604 4.884 . 0 0 "[ . 1 . 2]" 1
1076 1 81 ALA H 1 84 ILE H . . 4.980 4.685 4.552 4.862 . 0 0 "[ . 1 . 2]" 1
1077 1 82 LEU H 1 84 ILE H . . 3.930 3.715 3.541 3.857 . 0 0 "[ . 1 . 2]" 1
1078 1 79 TRP HA 1 84 ILE H . . 4.030 3.016 2.210 4.039 0.009 17 0 "[ . 1 . 2]" 1
1079 1 84 ILE H 1 84 ILE MG . . 3.850 3.814 3.808 3.843 . 0 0 "[ . 1 . 2]" 1
1080 1 84 ILE H 1 84 ILE HG12 . . 3.820 2.159 2.122 2.269 . 0 0 "[ . 1 . 2]" 1
1081 1 84 ILE H 1 84 ILE MD . . 3.690 3.186 3.033 3.322 . 0 0 "[ . 1 . 2]" 1
1082 1 84 ILE H 1 84 ILE HB . . 3.270 2.661 2.634 2.695 . 0 0 "[ . 1 . 2]" 1
1083 1 84 ILE H 1 84 ILE HG13 . . 3.830 3.672 3.646 3.776 . 0 0 "[ . 1 . 2]" 1
1084 1 8 SER QB 1 9 LYS H . . 3.350 2.330 1.932 3.105 . 0 0 "[ . 1 . 2]" 1
1085 1 84 ILE HA 1 85 SER H . . 2.950 2.328 2.282 2.360 . 0 0 "[ . 1 . 2]" 1
1086 1 84 ILE MG 1 85 SER H . . 3.300 1.953 1.879 2.065 . 0 0 "[ . 1 . 2]" 1
1087 1 87 MET H 1 87 MET ME . . 4.710 4.348 2.785 4.721 0.011 15 0 "[ . 1 . 2]" 1
1088 1 87 MET H 1 114 TYR QD . . 5.500 5.260 4.453 5.613 0.113 11 0 "[ . 1 . 2]" 1
1089 1 44 PHE QR 1 45 ALA H . . 3.650 3.353 3.041 3.553 . 0 0 "[ . 1 . 2]" 1
1090 1 44 PHE HB3 1 45 ALA H . . 3.620 2.588 2.403 2.670 . 0 0 "[ . 1 . 2]" 1
1091 1 44 PHE HB2 1 45 ALA H . . 3.860 3.852 3.764 3.885 0.025 20 0 "[ . 1 . 2]" 1
1092 1 32 VAL HB 1 45 ALA H . . 3.390 2.625 2.373 2.746 . 0 0 "[ . 1 . 2]" 1
1093 1 75 THR MG 1 90 HIS H . . 4.800 4.290 2.455 4.829 0.029 19 0 "[ . 1 . 2]" 1
1094 1 71 VAL HB 1 93 VAL H . . 4.220 3.269 2.959 3.578 . 0 0 "[ . 1 . 2]" 1
1095 1 93 VAL HA 1 94 VAL H . . 3.410 2.150 2.142 2.154 . 0 0 "[ . 1 . 2]" 1
1096 1 93 VAL HB 1 94 VAL H . . 4.610 4.334 4.233 4.377 . 0 0 "[ . 1 . 2]" 1
1097 1 94 VAL H 1 94 VAL HB . . 3.810 2.715 2.645 2.782 . 0 0 "[ . 1 . 2]" 1
1098 1 96 THR H 1 96 THR HB . . 3.320 3.063 2.794 3.216 . 0 0 "[ . 1 . 2]" 1
1099 1 95 PHE QR 1 96 THR H . . 3.870 3.409 2.992 3.873 0.003 6 0 "[ . 1 . 2]" 1
1100 1 95 PHE HA 1 96 THR H . . 3.160 2.243 2.139 2.316 . 0 0 "[ . 1 . 2]" 1
1101 1 68 ILE HA 1 96 THR H . . 5.100 4.941 4.688 5.082 . 0 0 "[ . 1 . 2]" 1
1102 1 96 THR H 1 97 ALA H . . 4.590 4.499 4.460 4.566 . 0 0 "[ . 1 . 2]" 1
1103 1 67 GLY H 1 97 ALA H . . 4.950 4.922 4.744 4.966 0.016 19 0 "[ . 1 . 2]" 1
1104 1 96 THR HA 1 97 ALA H . . 3.260 2.231 2.196 2.248 . 0 0 "[ . 1 . 2]" 1
1105 1 68 ILE HA 1 97 ALA H . . 3.810 3.584 3.424 3.735 . 0 0 "[ . 1 . 2]" 1
1106 1 96 THR HB 1 97 ALA H . . 4.110 3.962 3.875 4.045 . 0 0 "[ . 1 . 2]" 1
1107 1 97 ALA H 1 97 ALA MB . . 3.490 2.126 2.076 2.267 . 0 0 "[ . 1 . 2]" 1
1108 1 97 ALA HA 1 99 ASP H . . 4.170 3.564 3.337 4.008 . 0 0 "[ . 1 . 2]" 1
1109 1 107 ILE HB 1 108 ALA H . . 4.540 4.400 4.375 4.422 . 0 0 "[ . 1 . 2]" 1
1110 1 107 ILE MG 1 108 ALA H . . 3.630 2.849 2.755 2.939 . 0 0 "[ . 1 . 2]" 1
1111 1 35 LYS H 1 68 ILE H . . 5.090 4.986 4.893 5.117 0.027 4 0 "[ . 1 . 2]" 1
1112 1 35 LYS H 1 69 TYR QR . . 4.660 4.577 4.411 4.666 0.006 7 0 "[ . 1 . 2]" 1
1113 1 34 ARG QH1 1 35 LYS H . . 4.250 1.956 1.885 2.088 . 0 0 "[ . 1 . 2]" 1
1114 1 34 ARG HA 1 35 LYS H . . 3.410 2.246 2.203 2.297 . 0 0 "[ . 1 . 2]" 1
1115 1 35 LYS H 1 69 TYR HA . . 4.040 4.018 3.926 4.066 0.026 5 0 "[ . 1 . 2]" 1
1116 1 34 ARG HD2 1 35 LYS H . . 4.510 4.252 4.120 4.398 . 0 0 "[ . 1 . 2]" 1
1117 1 107 ILE H 1 107 ILE HB . . 4.020 2.446 2.392 2.492 . 0 0 "[ . 1 . 2]" 1
1118 1 107 ILE H 1 107 ILE HG12 . . 4.370 4.085 4.010 4.206 . 0 0 "[ . 1 . 2]" 1
1119 1 107 ILE H 1 107 ILE HG13 . . 4.370 3.215 3.118 3.339 . 0 0 "[ . 1 . 2]" 1
1120 1 107 ILE H 1 107 ILE MG . . 3.760 3.762 3.735 3.779 0.019 10 0 "[ . 1 . 2]" 1
1121 1 107 ILE H 1 107 ILE MD . . 4.510 2.158 1.988 2.286 . 0 0 "[ . 1 . 2]" 1
1122 1 107 ILE H 1 108 ALA H . . 4.530 4.335 4.287 4.378 . 0 0 "[ . 1 . 2]" 1
1123 1 13 MET H 1 107 ILE H . . 4.470 3.886 3.755 3.971 . 0 0 "[ . 1 . 2]" 1
1124 1 109 ALA H 1 109 ALA MB . . 3.500 2.488 2.441 2.550 . 0 0 "[ . 1 . 2]" 1
1125 1 109 ALA MB 1 110 MET H . . 3.810 3.287 3.200 3.371 . 0 0 "[ . 1 . 2]" 1
1126 1 15 LYS QG 1 109 ALA H . . 3.930 3.293 3.238 3.360 . 0 0 "[ . 1 . 2]" 1
1127 1 108 ALA MB 1 109 ALA H . . 4.160 3.354 3.336 3.371 . 0 0 "[ . 1 . 2]" 1
1128 1 110 MET H 1 110 MET HG3 . . 4.310 3.121 3.046 3.222 . 0 0 "[ . 1 . 2]" 1
1129 1 110 MET H 1 110 MET HB2 . . 4.190 2.422 2.367 2.473 . 0 0 "[ . 1 . 2]" 1
1130 1 110 MET H 1 110 MET ME . . 5.500 5.171 5.113 5.259 . 0 0 "[ . 1 . 2]" 1
1131 1 111 LEU H 1 111 LEU MD1 . . 4.240 2.917 2.776 3.012 . 0 0 "[ . 1 . 2]" 1
1132 1 16 VAL MG1 1 111 LEU H . . 4.310 4.104 3.970 4.207 . 0 0 "[ . 1 . 2]" 1
1133 1 111 LEU H 1 111 LEU MD2 . . 3.710 1.967 1.889 1.994 . 0 0 "[ . 1 . 2]" 1
1134 1 111 LEU H 1 111 LEU HG . . 4.120 3.944 3.922 3.961 . 0 0 "[ . 1 . 2]" 1
1135 1 19 ALA MB 1 111 LEU H . . 4.010 3.403 3.274 3.538 . 0 0 "[ . 1 . 2]" 1
1136 1 110 MET HB2 1 111 LEU H . . 4.450 4.330 4.284 4.394 . 0 0 "[ . 1 . 2]" 1
1137 1 110 MET ME 1 111 LEU H . . 4.500 4.230 4.127 4.404 . 0 0 "[ . 1 . 2]" 1
1138 1 110 MET HB3 1 111 LEU H . . 3.720 3.362 3.294 3.443 . 0 0 "[ . 1 . 2]" 1
1139 1 110 MET HA 1 111 LEU H . . 3.400 2.148 2.144 2.154 . 0 0 "[ . 1 . 2]" 1
1140 1 18 ASP H 1 111 LEU H . . 4.910 4.589 4.534 4.624 . 0 0 "[ . 1 . 2]" 1
1141 1 17 LEU H 1 111 LEU H . . 4.010 3.893 3.722 3.950 . 0 0 "[ . 1 . 2]" 1
1142 1 109 ALA MB 1 111 LEU H . . 5.030 4.927 4.852 4.984 . 0 0 "[ . 1 . 2]" 1
1143 1 126 LYS H 1 127 GLU H . . 3.770 2.670 2.515 2.766 . 0 0 "[ . 1 . 2]" 1
1144 1 125 PRO QG 1 127 GLU H . . 3.650 2.859 2.681 3.041 . 0 0 "[ . 1 . 2]" 1
1145 1 126 LYS QG 1 127 GLU H . . 4.080 2.791 2.519 3.292 . 0 0 "[ . 1 . 2]" 1
1146 1 127 GLU H 1 127 GLU HB3 . . 3.900 3.491 3.158 3.786 . 0 0 "[ . 1 . 2]" 1
1147 1 126 LYS QD 1 127 GLU H . . 3.720 1.942 1.930 1.987 . 0 0 "[ . 1 . 2]" 1
1148 1 127 GLU H 1 127 GLU QG . . 3.630 2.808 1.937 3.613 . 0 0 "[ . 1 . 2]" 1
1149 1 5 THR MG 1 6 GLY H . . 4.580 4.034 3.390 4.286 . 0 0 "[ . 1 . 2]" 1
1150 1 6 GLY H 1 7 GLU H . . 4.470 2.717 2.021 3.466 . 0 0 "[ . 1 . 2]" 1
1151 1 5 THR HA 1 7 GLU H . . 4.030 3.846 3.423 4.030 . 0 0 "[ . 1 . 2]" 1
1152 1 7 GLU HB2 1 8 SER H . . 4.460 3.648 1.956 4.473 0.013 4 0 "[ . 1 . 2]" 1
1153 1 7 GLU HB3 1 8 SER H . . 4.460 3.513 1.956 4.447 . 0 0 "[ . 1 . 2]" 1
1154 1 10 CYS HA 1 12 LEU H . . 4.440 4.181 3.511 4.430 . 0 0 "[ . 1 . 2]" 1
1155 1 16 VAL H 1 17 LEU HB3 . . 4.700 4.626 4.565 4.677 . 0 0 "[ . 1 . 2]" 1
1156 1 16 VAL H 1 109 ALA MB . . 4.760 4.731 4.636 4.764 0.004 3 0 "[ . 1 . 2]" 1
1157 1 15 LYS QD 1 16 VAL H . . 4.100 3.564 3.483 3.644 . 0 0 "[ . 1 . 2]" 1
1158 1 18 ASP H 1 23 SER HA . . 5.090 4.932 4.746 5.057 . 0 0 "[ . 1 . 2]" 1
1159 1 17 LEU HA 1 18 ASP H . . 3.310 2.278 2.248 2.299 . 0 0 "[ . 1 . 2]" 1
1160 1 18 ASP H 1 25 ALA HA . . 4.720 4.387 4.058 4.717 . 0 0 "[ . 1 . 2]" 1
1161 1 18 ASP H 1 24 PRO HA . . 3.980 3.478 3.374 3.688 . 0 0 "[ . 1 . 2]" 1
1162 1 20 VAL H 1 21 ARG HG3 . . 5.190 4.921 4.658 5.206 0.016 14 0 "[ . 1 . 2]" 1
1163 1 19 ALA MB 1 20 VAL H . . 3.520 3.228 3.035 3.340 . 0 0 "[ . 1 . 2]" 1
1164 1 18 ASP HA 1 20 VAL H . . 4.350 3.479 3.406 3.559 . 0 0 "[ . 1 . 2]" 1
1165 1 20 VAL MG2 1 21 ARG H . . 3.950 3.771 3.644 3.874 . 0 0 "[ . 1 . 2]" 1
1166 1 20 VAL MG2 1 22 GLY H . . 5.230 5.031 4.832 5.158 . 0 0 "[ . 1 . 2]" 1
1167 1 20 VAL MG1 1 22 GLY H . . 5.190 5.018 4.761 5.180 . 0 0 "[ . 1 . 2]" 1
1168 1 21 ARG HB3 1 22 GLY H . . 4.780 4.164 4.047 4.268 . 0 0 "[ . 1 . 2]" 1
1169 1 21 ARG HB2 1 22 GLY H . . 3.860 3.057 2.859 3.218 . 0 0 "[ . 1 . 2]" 1
1170 1 19 ALA MB 1 22 GLY H . . 5.000 4.761 4.498 4.971 . 0 0 "[ . 1 . 2]" 1
1171 1 21 ARG QD 1 22 GLY H . . 4.570 3.440 3.315 3.525 . 0 0 "[ . 1 . 2]" 1
1172 1 18 ASP HB2 1 22 GLY H . . 4.500 3.903 3.431 4.426 . 0 0 "[ . 1 . 2]" 1
1173 1 20 VAL HB 1 22 GLY H . . 4.560 4.418 4.136 4.573 0.013 15 0 "[ . 1 . 2]" 1
1174 1 18 ASP HB3 1 22 GLY H . . 4.500 3.893 3.149 4.772 0.272 19 0 "[ . 1 . 2]" 1
1175 1 19 ALA HA 1 23 SER H . . 5.500 5.360 5.040 5.519 0.019 16 0 "[ . 1 . 2]" 1
1176 1 18 ASP HB2 1 23 SER H . . 4.650 3.777 3.273 4.314 . 0 0 "[ . 1 . 2]" 1
1177 1 18 ASP HB3 1 23 SER H . . 4.650 4.459 3.606 4.729 0.079 16 0 "[ . 1 . 2]" 1
1178 1 21 ARG HB3 1 23 SER H . . 4.060 3.951 3.818 4.083 0.023 14 0 "[ . 1 . 2]" 1
1179 1 21 ARG HG3 1 23 SER H . . 5.220 5.224 5.171 5.271 0.051 20 0 "[ . 1 . 2]" 1
1180 1 17 LEU HB2 1 23 SER H . . 4.580 4.527 4.287 4.612 0.032 14 0 "[ . 1 . 2]" 1
1181 1 21 ARG HB2 1 23 SER H . . 4.150 2.539 2.464 2.607 . 0 0 "[ . 1 . 2]" 1
1182 1 25 ALA H 1 28 VAL MG2 . . 4.260 4.080 3.942 4.238 . 0 0 "[ . 1 . 2]" 1
1183 1 25 ALA H 1 49 THR MG . . 5.040 5.068 5.026 5.105 0.065 3 0 "[ . 1 . 2]" 1
1184 1 17 LEU HB3 1 25 ALA H . . 4.260 4.132 3.872 4.299 0.039 19 0 "[ . 1 . 2]" 1
1185 1 17 LEU HB2 1 25 ALA H . . 4.350 4.128 3.856 4.307 . 0 0 "[ . 1 . 2]" 1
1186 1 25 ALA H 1 49 THR HB . . 4.980 4.879 4.707 4.930 . 0 0 "[ . 1 . 2]" 1
1187 1 24 PRO HA 1 25 ALA H . . 3.300 2.248 2.217 2.272 . 0 0 "[ . 1 . 2]" 1
1188 1 26 ILE H 1 27 ASN H . . 4.600 4.501 4.494 4.504 . 0 0 "[ . 1 . 2]" 1
1189 1 25 ALA MB 1 26 ILE H . . 3.670 2.954 2.915 3.009 . 0 0 "[ . 1 . 2]" 1
1190 1 27 ASN H 1 50 SER HA . . 4.210 3.525 3.480 3.602 . 0 0 "[ . 1 . 2]" 1
1191 1 27 ASN HB3 1 28 VAL H . . 4.540 4.395 4.375 4.413 . 0 0 "[ . 1 . 2]" 1
1192 1 28 VAL H 1 29 ALA HA . . 5.130 4.927 4.890 4.965 . 0 0 "[ . 1 . 2]" 1
1193 1 28 VAL H 1 48 LYS QB . . 3.700 2.922 2.847 3.065 . 0 0 "[ . 1 . 2]" 1
1194 1 28 VAL H 1 48 LYS HG3 . . 4.730 4.689 4.614 4.743 0.013 11 0 "[ . 1 . 2]" 1
1195 1 92 GLU H 1 93 VAL MG2 . . 5.500 4.502 4.047 4.899 . 0 0 "[ . 1 . 2]" 1
1196 1 25 ALA MB 1 28 VAL H . . 5.000 4.702 4.646 4.787 . 0 0 "[ . 1 . 2]" 1
1197 1 92 GLU H 1 93 VAL H . . 4.510 4.458 4.386 4.544 0.034 14 0 "[ . 1 . 2]" 1
1198 1 28 VAL MG1 1 29 ALA H . . 3.460 2.987 2.819 3.067 . 0 0 "[ . 1 . 2]" 1
1199 1 28 VAL MG2 1 29 ALA H . . 4.260 4.122 4.070 4.160 . 0 0 "[ . 1 . 2]" 1
1200 1 28 VAL HB 1 29 ALA H . . 4.550 4.366 4.346 4.392 . 0 0 "[ . 1 . 2]" 1
1201 1 29 ALA H 1 74 ASP HB2 . . 4.750 4.470 3.887 4.781 0.031 14 0 "[ . 1 . 2]" 1
1202 1 29 ALA H 1 74 ASP HB3 . . 4.750 4.177 3.582 4.462 . 0 0 "[ . 1 . 2]" 1
1203 1 28 VAL HA 1 29 ALA H . . 3.200 2.150 2.149 2.152 . 0 0 "[ . 1 . 2]" 1
1204 1 29 ALA HA 1 30 VAL H . . 3.060 2.153 2.144 2.162 . 0 0 "[ . 1 . 2]" 1
1205 1 30 VAL H 1 47 GLY HA3 . . 4.970 4.796 4.733 4.858 . 0 0 "[ . 1 . 2]" 1
1206 1 30 VAL H 1 48 LYS HG3 . . 4.080 3.959 3.844 4.040 . 0 0 "[ . 1 . 2]" 1
1207 1 30 VAL H 1 48 LYS HG2 . . 4.530 4.276 4.145 4.463 . 0 0 "[ . 1 . 2]" 1
1208 1 30 VAL H 1 49 THR MG . . 5.000 4.802 4.645 4.932 . 0 0 "[ . 1 . 2]" 1
1209 1 30 VAL H 1 31 HIS HA . . 5.070 4.782 4.763 4.815 . 0 0 "[ . 1 . 2]" 1
1210 1 31 HIS H 1 71 VAL HA . . 4.630 4.399 4.248 4.578 . 0 0 "[ . 1 . 2]" 1
1211 1 32 VAL H 1 46 SER HA . . 3.570 2.909 2.811 2.979 . 0 0 "[ . 1 . 2]" 1
1212 1 31 HIS HA 1 32 VAL H . . 3.220 2.141 2.139 2.145 . 0 0 "[ . 1 . 2]" 1
1213 1 32 VAL H 1 46 SER HB2 . . 3.970 3.552 3.424 3.639 . 0 0 "[ . 1 . 2]" 1
1214 1 32 VAL H 1 46 SER HB3 . . 4.730 4.593 4.473 4.725 . 0 0 "[ . 1 . 2]" 1
1215 1 31 HIS HB2 1 32 VAL H . . 4.380 4.146 4.090 4.220 . 0 0 "[ . 1 . 2]" 1
1216 1 31 HIS HB3 1 32 VAL H . . 3.800 3.465 3.394 3.557 . 0 0 "[ . 1 . 2]" 1
1217 1 32 VAL MG1 1 33 PHE H . . 3.350 2.242 2.017 2.502 . 0 0 "[ . 1 . 2]" 1
1218 1 33 PHE H 1 71 VAL MG2 . . 3.980 3.451 3.146 3.693 . 0 0 "[ . 1 . 2]" 1
1219 1 32 VAL MG2 1 33 PHE H . . 4.330 4.084 4.045 4.146 . 0 0 "[ . 1 . 2]" 1
1220 1 33 PHE H 1 71 VAL MG1 . . 5.310 4.920 4.622 5.167 . 0 0 "[ . 1 . 2]" 1
1221 1 32 VAL HB 1 33 PHE H . . 4.290 3.928 3.838 4.074 . 0 0 "[ . 1 . 2]" 1
1222 1 33 PHE H 1 69 TYR HB3 . . 4.770 4.426 4.239 4.683 . 0 0 "[ . 1 . 2]" 1
1223 1 33 PHE H 1 71 VAL HA . . 4.280 3.299 3.008 3.557 . 0 0 "[ . 1 . 2]" 1
1224 1 33 PHE H 1 33 PHE QE . . 5.500 5.165 5.059 5.213 . 0 0 "[ . 1 . 2]" 1
1225 1 33 PHE H 1 44 PHE QR . . 5.500 5.020 4.834 5.252 . 0 0 "[ . 1 . 2]" 1
1226 1 34 ARG H 1 69 TYR QR . . 5.400 5.076 4.853 5.346 . 0 0 "[ . 1 . 2]" 1
1227 1 34 ARG H 1 35 LYS H . . 4.560 4.419 4.376 4.454 . 0 0 "[ . 1 . 2]" 1
1228 1 15 LYS H 1 108 ALA H . . 5.370 4.974 4.905 5.069 . 0 0 "[ . 1 . 2]" 1
1229 1 34 ARG HD3 1 35 LYS H . . 4.920 2.820 2.725 2.940 . 0 0 "[ . 1 . 2]" 1
1230 1 35 LYS H 1 36 ALA H . . 4.550 4.383 4.365 4.415 . 0 0 "[ . 1 . 2]" 1
1231 1 36 ALA H 1 38 ASP H . . 4.790 4.778 4.747 4.798 0.008 18 0 "[ . 1 . 2]" 1
1232 1 36 ALA H 1 41 TRP HA . . 3.980 3.424 3.326 3.479 . 0 0 "[ . 1 . 2]" 1
1233 1 36 ALA H 1 40 THR HA . . 4.610 4.578 4.520 4.627 0.017 18 0 "[ . 1 . 2]" 1
1234 1 36 ALA H 1 40 THR HB . . 5.450 5.186 5.112 5.230 . 0 0 "[ . 1 . 2]" 1
1235 1 35 LYS HA 1 36 ALA H . . 3.030 2.154 2.147 2.156 . 0 0 "[ . 1 . 2]" 1
1236 1 34 ARG HD2 1 36 ALA H . . 5.340 5.235 5.150 5.347 0.007 11 0 "[ . 1 . 2]" 1
1237 1 36 ALA H 1 42 GLU QG . . 4.180 3.651 3.483 3.777 . 0 0 "[ . 1 . 2]" 1
1238 1 35 LYS QE 1 36 ALA H . . 4.070 4.105 4.078 4.221 0.151 5 0 "[ . 1 . 2]" 1
1239 1 36 ALA H 1 40 THR MG . . 4.700 4.732 4.705 4.757 0.057 18 0 "[ . 1 . 2]" 1
1240 1 35 LYS QD 1 36 ALA H . . 3.780 2.487 2.335 2.536 . 0 0 "[ . 1 . 2]" 1
1241 1 84 ILE MD 1 85 SER H . . 3.890 3.694 3.590 3.794 . 0 0 "[ . 1 . 2]" 1
1242 1 84 ILE H 1 85 SER H . . 4.840 4.582 4.555 4.589 . 0 0 "[ . 1 . 2]" 1
1243 1 37 ALA H 1 40 THR H . . 4.910 4.918 4.887 4.929 0.019 15 0 "[ . 1 . 2]" 1
1244 1 37 ALA MB 1 38 ASP H . . 3.220 2.972 2.951 3.030 . 0 0 "[ . 1 . 2]" 1
1245 1 38 ASP H 1 40 THR MG . . 4.330 3.637 3.600 3.695 . 0 0 "[ . 1 . 2]" 1
1246 1 38 ASP HB2 1 40 THR H . . 4.700 4.109 3.917 4.582 . 0 0 "[ . 1 . 2]" 1
1247 1 38 ASP HB3 1 40 THR H . . 4.700 4.299 3.835 4.548 . 0 0 "[ . 1 . 2]" 1
1248 1 41 TRP H 1 42 GLU HA . . 5.070 4.927 4.870 4.956 . 0 0 "[ . 1 . 2]" 1
1249 1 77 SER QB 1 80 LYS H . . 4.830 4.783 4.545 4.979 0.149 7 0 "[ . 1 . 2]" 1
1250 1 41 TRP H 1 42 GLU QG . . 4.610 4.537 4.375 4.609 . 0 0 "[ . 1 . 2]" 1
1251 1 80 LYS H 1 80 LYS HB3 . . 3.420 2.381 2.286 2.488 . 0 0 "[ . 1 . 2]" 1
1252 1 80 LYS H 1 80 LYS HB2 . . 3.770 3.590 3.549 3.629 . 0 0 "[ . 1 . 2]" 1
1253 1 41 TRP HB2 1 41 TRP HE1 . . 5.140 5.010 4.964 5.058 . 0 0 "[ . 1 . 2]" 1
1254 1 41 TRP HE1 1 94 VAL MG1 . . 4.870 4.554 4.137 4.873 0.003 18 0 "[ . 1 . 2]" 1
1255 1 40 THR HB 1 42 GLU H . . 5.500 5.506 5.480 5.545 0.045 18 0 "[ . 1 . 2]" 1
1256 1 42 GLU H 1 43 PRO HA . . 5.500 5.484 5.437 5.513 0.013 9 0 "[ . 1 . 2]" 1
1257 1 32 VAL MG1 1 71 VAL H . . 4.600 4.205 3.953 4.336 . 0 0 "[ . 1 . 2]" 1
1258 1 44 PHE H 1 45 ALA HA . . 4.640 4.636 4.593 4.657 0.017 18 0 "[ . 1 . 2]" 1
1259 1 43 PRO HD3 1 44 PHE H . . 5.500 5.498 5.488 5.511 0.011 4 0 "[ . 1 . 2]" 1
1260 1 45 ALA H 1 46 SER HA . . 5.130 4.872 4.849 4.889 . 0 0 "[ . 1 . 2]" 1
1261 1 31 HIS HA 1 46 SER H . . 5.130 4.793 4.655 4.890 . 0 0 "[ . 1 . 2]" 1
1262 1 46 SER H 1 58 LEU HB3 . . 4.920 4.171 3.962 4.825 . 0 0 "[ . 1 . 2]" 1
1263 1 45 ALA MB 1 46 SER H . . 2.890 2.261 2.104 2.353 . 0 0 "[ . 1 . 2]" 1
1264 1 46 SER H 1 58 LEU HB2 . . 5.500 5.268 4.871 5.527 0.027 5 0 "[ . 1 . 2]" 1
1265 1 46 SER H 1 58 LEU MD1 . . 4.110 3.582 2.117 4.075 . 0 0 "[ . 1 . 2]" 1
1266 1 45 ALA MB 1 47 GLY H . . 5.400 5.267 5.123 5.424 0.024 4 0 "[ . 1 . 2]" 1
1267 1 47 GLY H 1 48 LYS HG3 . . 5.500 5.153 5.026 5.270 . 0 0 "[ . 1 . 2]" 1
1268 1 47 GLY H 1 58 LEU HG . . 5.500 5.186 4.568 5.540 0.040 17 0 "[ . 1 . 2]" 1
1269 1 47 GLY HA2 1 48 LYS H . . 3.040 2.830 2.575 2.923 . 0 0 "[ . 1 . 2]" 1
1270 1 47 GLY HA3 1 48 LYS H . . 3.010 2.329 2.260 2.547 . 0 0 "[ . 1 . 2]" 1
1271 1 48 LYS H 1 55 LEU HB3 . . 5.500 5.481 5.271 5.613 0.113 17 0 "[ . 1 . 2]" 1
1272 1 48 LYS H 1 55 LEU MD2 . . 3.320 2.216 1.900 2.737 . 0 0 "[ . 1 . 2]" 1
1273 1 48 LYS H 1 55 LEU MD1 . . 3.320 3.031 2.179 3.344 0.024 4 0 "[ . 1 . 2]" 1
1274 1 50 SER H 1 54 GLU HA . . 5.130 4.784 4.622 4.981 . 0 0 "[ . 1 . 2]" 1
1275 1 49 THR MG 1 50 SER H . . 3.960 3.744 3.712 3.986 0.026 17 0 "[ . 1 . 2]" 1
1276 1 50 SER HA 1 51 GLU H . . 3.240 2.525 2.513 2.569 . 0 0 "[ . 1 . 2]" 1
1277 1 24 PRO HB3 1 53 GLY H . . 3.860 3.536 3.459 3.635 . 0 0 "[ . 1 . 2]" 1
1278 1 24 PRO HB2 1 53 GLY H . . 4.050 3.154 3.073 3.229 . 0 0 "[ . 1 . 2]" 1
1279 1 59 THR HA 1 60 THR H . . 3.430 2.212 2.144 2.335 . 0 0 "[ . 1 . 2]" 1
1280 1 52 SER HA 1 54 GLU H . . 4.660 4.547 4.420 4.703 0.043 17 0 "[ . 1 . 2]" 1
1281 1 52 SER HB3 1 54 GLU H . . 3.840 3.082 2.845 3.213 . 0 0 "[ . 1 . 2]" 1
1282 1 13 MET HA 1 55 LEU H . . 4.710 4.101 3.424 4.551 . 0 0 "[ . 1 . 2]" 1
1283 1 54 GLU H 1 55 LEU H . . 4.490 4.384 4.293 4.446 . 0 0 "[ . 1 . 2]" 1
1284 1 58 LEU H 1 59 THR MG . . 4.030 3.697 3.119 4.020 . 0 0 "[ . 1 . 2]" 1
1285 1 55 LEU HB3 1 58 LEU H . . 4.890 4.072 3.070 4.546 . 0 0 "[ . 1 . 2]" 1
1286 1 58 LEU H 1 58 LEU HB3 . . 3.830 3.564 3.425 3.664 . 0 0 "[ . 1 . 2]" 1
1287 1 58 LEU H 1 58 LEU HG . . 3.780 3.183 2.286 3.946 0.166 4 0 "[ . 1 . 2]" 1
1288 1 45 ALA MB 1 58 LEU H . . 4.700 4.396 4.199 4.703 0.003 14 0 "[ . 1 . 2]" 1
1289 1 58 LEU H 1 58 LEU HB2 . . 3.780 2.332 2.103 2.610 . 0 0 "[ . 1 . 2]" 1
1290 1 58 LEU HB3 1 59 THR H . . 4.430 3.820 3.409 4.441 0.011 9 0 "[ . 1 . 2]" 1
1291 1 58 LEU HG 1 59 THR H . . 5.490 4.837 4.156 5.352 . 0 0 "[ . 1 . 2]" 1
1292 1 45 ALA MB 1 59 THR H . . 4.800 4.468 4.167 4.673 . 0 0 "[ . 1 . 2]" 1
1293 1 58 LEU HB2 1 59 THR H . . 4.330 3.114 2.773 3.758 . 0 0 "[ . 1 . 2]" 1
1294 1 53 GLY H 1 54 GLU HA . . 5.320 5.209 5.162 5.250 . 0 0 "[ . 1 . 2]" 1
1295 1 60 THR H 1 62 GLU H . . 4.730 4.248 3.960 4.731 0.001 20 0 "[ . 1 . 2]" 1
1296 1 60 THR HB 1 62 GLU H . . 3.870 2.583 2.323 2.942 . 0 0 "[ . 1 . 2]" 1
1297 1 60 THR HA 1 63 GLU H . . 5.170 4.917 4.656 5.045 . 0 0 "[ . 1 . 2]" 1
1298 1 63 GLU H 1 64 PHE QB . . 4.480 4.355 4.254 4.475 . 0 0 "[ . 1 . 2]" 1
1299 1 62 GLU HB3 1 63 GLU H . . 4.520 3.947 3.653 4.414 . 0 0 "[ . 1 . 2]" 1
1300 1 63 GLU H 1 65 VAL MG2 . . 5.090 4.820 4.701 4.944 . 0 0 "[ . 1 . 2]" 1
1301 1 61 GLU HA 1 64 PHE H . . 4.750 4.178 3.815 4.524 . 0 0 "[ . 1 . 2]" 1
1302 1 64 PHE H 1 65 VAL H . . 4.070 3.425 2.575 3.647 . 0 0 "[ . 1 . 2]" 1
1303 1 62 GLU H 1 64 PHE H . . 4.530 4.403 4.264 4.521 . 0 0 "[ . 1 . 2]" 1
1304 1 64 PHE QB 1 65 VAL H . . 4.460 3.951 3.904 4.016 . 0 0 "[ . 1 . 2]" 1
1305 1 65 VAL H 1 69 TYR QR . . 4.520 4.166 4.000 4.385 . 0 0 "[ . 1 . 2]" 1
1306 1 65 VAL MG2 1 67 GLY H . . 3.900 2.340 2.088 2.622 . 0 0 "[ . 1 . 2]" 1
1307 1 66 GLU HB3 1 67 GLY H . . 3.950 3.549 3.363 3.744 . 0 0 "[ . 1 . 2]" 1
1308 1 66 GLU HB2 1 67 GLY H . . 4.060 2.526 2.354 2.646 . 0 0 "[ . 1 . 2]" 1
1309 1 67 GLY H 1 69 TYR QR . . 4.430 4.102 3.926 4.237 . 0 0 "[ . 1 . 2]" 1
1310 1 65 VAL H 1 67 GLY H . . 5.450 4.632 4.394 5.062 . 0 0 "[ . 1 . 2]" 1
1311 1 34 ARG HG2 1 68 ILE H . . 5.250 4.493 4.385 4.601 . 0 0 "[ . 1 . 2]" 1
1312 1 125 PRO HB2 1 126 LYS H . . 3.860 2.300 2.081 2.540 . 0 0 "[ . 1 . 2]" 1
1313 1 125 PRO HB3 1 126 LYS H . . 3.650 3.304 3.212 3.415 . 0 0 "[ . 1 . 2]" 1
1314 1 126 LYS H 1 126 LYS HB3 . . 3.570 2.326 2.278 2.338 . 0 0 "[ . 1 . 2]" 1
1315 1 126 LYS H 1 126 LYS QD . . 3.650 1.947 1.883 2.029 . 0 0 "[ . 1 . 2]" 1
1316 1 68 ILE H 1 96 THR HA . . 4.390 4.354 4.108 4.432 0.042 14 0 "[ . 1 . 2]" 1
1317 1 125 PRO HA 1 126 LYS H . . 3.100 2.533 2.429 2.633 . 0 0 "[ . 1 . 2]" 1
1318 1 68 ILE H 1 69 TYR QR . . 4.410 4.291 4.097 4.465 0.055 9 0 "[ . 1 . 2]" 1
1319 1 67 GLY H 1 68 ILE H . . 3.980 1.872 1.833 1.891 . 0 0 "[ . 1 . 2]" 1
1320 1 68 ILE MG 1 69 TYR H . . 3.340 2.784 2.613 3.104 . 0 0 "[ . 1 . 2]" 1
1321 1 107 ILE MG 1 109 ALA H . . 3.980 3.907 3.805 3.982 0.002 10 0 "[ . 1 . 2]" 1
1322 1 68 ILE HB 1 69 TYR H . . 4.350 4.228 4.151 4.306 . 0 0 "[ . 1 . 2]" 1
1323 1 69 TYR H 1 96 THR HA . . 4.440 4.322 4.093 4.455 0.015 17 0 "[ . 1 . 2]" 1
1324 1 68 ILE HA 1 69 TYR H . . 3.390 2.143 2.139 2.155 . 0 0 "[ . 1 . 2]" 1
1325 1 34 ARG HA 1 69 TYR H . . 4.900 4.974 4.945 5.015 0.115 18 0 "[ . 1 . 2]" 1
1326 1 69 TYR H 1 95 PHE H . . 4.000 3.192 3.008 3.359 . 0 0 "[ . 1 . 2]" 1
1327 1 32 VAL HA 1 70 LYS H . . 5.100 4.572 4.233 4.766 . 0 0 "[ . 1 . 2]" 1
1328 1 33 PHE HA 1 70 LYS H . . 5.440 4.553 4.448 4.698 . 0 0 "[ . 1 . 2]" 1
1329 1 69 TYR HA 1 70 LYS H . . 3.300 2.159 2.141 2.217 . 0 0 "[ . 1 . 2]" 1
1330 1 34 ARG HA 1 70 LYS H . . 3.940 3.327 3.196 3.546 . 0 0 "[ . 1 . 2]" 1
1331 1 33 PHE HB3 1 70 LYS H . . 4.400 4.348 4.215 4.471 0.071 14 0 "[ . 1 . 2]" 1
1332 1 33 PHE HB2 1 70 LYS H . . 4.120 3.565 3.399 3.770 . 0 0 "[ . 1 . 2]" 1
1333 1 69 TYR HB3 1 70 LYS H . . 3.780 3.253 2.954 3.380 . 0 0 "[ . 1 . 2]" 1
1334 1 69 TYR HB2 1 70 LYS H . . 4.210 4.118 3.933 4.234 0.024 4 0 "[ . 1 . 2]" 1
1335 1 32 VAL MG1 1 70 LYS H . . 3.850 3.372 3.055 3.569 . 0 0 "[ . 1 . 2]" 1
1336 1 70 LYS H 1 71 VAL MG2 . . 4.510 4.091 3.913 4.199 . 0 0 "[ . 1 . 2]" 1
1337 1 70 LYS H 1 70 LYS HB2 . . 4.120 2.976 2.470 3.732 . 0 0 "[ . 1 . 2]" 1
1338 1 70 LYS H 1 70 LYS HB3 . . 4.120 3.582 3.153 3.802 . 0 0 "[ . 1 . 2]" 1
1339 1 70 LYS HB3 1 71 VAL H . . 4.590 3.971 3.774 4.375 . 0 0 "[ . 1 . 2]" 1
1340 1 71 VAL MG2 1 72 GLU H . . 4.000 3.940 3.860 4.030 0.030 16 0 "[ . 1 . 2]" 1
1341 1 72 GLU H 1 73 ILE HG13 . . 5.040 4.436 4.274 4.626 . 0 0 "[ . 1 . 2]" 1
1342 1 71 VAL MG1 1 72 GLU H . . 3.430 2.354 2.131 2.675 . 0 0 "[ . 1 . 2]" 1
1343 1 30 VAL MG1 1 72 GLU H . . 3.640 3.292 3.134 3.439 . 0 0 "[ . 1 . 2]" 1
1344 1 31 HIS HB2 1 72 GLU H . . 4.420 3.454 3.365 3.650 . 0 0 "[ . 1 . 2]" 1
1345 1 71 VAL HA 1 72 GLU H . . 3.450 2.185 2.142 2.234 . 0 0 "[ . 1 . 2]" 1
1346 1 32 VAL H 1 72 GLU H . . 4.900 4.748 4.597 4.808 . 0 0 "[ . 1 . 2]" 1
1347 1 72 GLU HB3 1 73 ILE H . . 4.470 4.278 4.264 4.346 . 0 0 "[ . 1 . 2]" 1
1348 1 72 GLU HB2 1 73 ILE H . . 4.340 3.316 3.122 3.741 . 0 0 "[ . 1 . 2]" 1
1349 1 72 GLU HG2 1 73 ILE H . . 4.520 4.167 3.699 4.418 . 0 0 "[ . 1 . 2]" 1
1350 1 73 ILE H 1 92 GLU HB3 . . 4.230 3.817 3.485 4.259 0.029 16 0 "[ . 1 . 2]" 1
1351 1 74 ASP H 1 75 THR H . . 4.180 4.031 3.626 4.210 0.030 6 0 "[ . 1 . 2]" 1
1352 1 74 ASP HA 1 75 THR H . . 3.250 2.236 2.159 2.420 . 0 0 "[ . 1 . 2]" 1
1353 1 75 THR H 1 76 LYS HA . . 4.870 4.798 4.620 4.914 0.044 10 0 "[ . 1 . 2]" 1
1354 1 74 ASP HB2 1 75 THR H . . 4.710 4.646 4.599 4.674 . 0 0 "[ . 1 . 2]" 1
1355 1 79 TRP H 1 80 LYS H . . 3.600 2.452 2.308 2.622 . 0 0 "[ . 1 . 2]" 1
1356 1 79 TRP H 1 81 ALA H . . 4.070 3.899 3.801 4.014 . 0 0 "[ . 1 . 2]" 1
1357 1 78 TYR H 1 79 TRP H . . 3.600 2.523 2.351 2.791 . 0 0 "[ . 1 . 2]" 1
1358 1 76 LYS HA 1 79 TRP H . . 4.680 4.029 3.694 4.390 . 0 0 "[ . 1 . 2]" 1
1359 1 77 SER HA 1 79 TRP H . . 4.980 4.121 3.806 4.427 . 0 0 "[ . 1 . 2]" 1
1360 1 77 SER QB 1 79 TRP H . . 5.380 4.934 4.360 5.380 . 18 0 "[ . 1 . 2]" 1
1361 1 78 TYR HB2 1 79 TRP H . . 4.310 3.736 2.900 4.160 . 0 0 "[ . 1 . 2]" 1
1362 1 78 TYR HB3 1 79 TRP H . . 4.310 3.023 2.499 3.796 . 0 0 "[ . 1 . 2]" 1
1363 1 79 TRP H 1 80 LYS HB3 . . 4.710 4.517 4.345 4.712 0.002 15 0 "[ . 1 . 2]" 1
1364 1 79 TRP H 1 84 ILE HB . . 5.260 4.935 4.473 5.205 . 0 0 "[ . 1 . 2]" 1
1365 1 76 LYS QD 1 79 TRP H . . 5.500 5.469 5.281 5.614 0.114 13 0 "[ . 1 . 2]" 1
1366 1 79 TRP H 1 80 LYS HG3 . . 4.850 4.685 4.530 4.845 . 0 0 "[ . 1 . 2]" 1
1367 1 79 TRP H 1 81 ALA MB . . 5.110 4.703 4.476 4.867 . 0 0 "[ . 1 . 2]" 1
1368 1 75 THR MG 1 79 TRP H . . 5.500 5.355 4.980 5.553 0.053 20 0 "[ . 1 . 2]" 1
1369 1 80 LYS H 1 80 LYS HG3 . . 4.020 2.699 2.572 2.840 . 0 0 "[ . 1 . 2]" 1
1370 1 78 TYR HA 1 81 ALA H . . 4.400 3.553 3.404 3.675 . 0 0 "[ . 1 . 2]" 1
1371 1 77 SER QB 1 81 ALA H . . 5.500 5.221 4.684 5.500 . 0 0 "[ . 1 . 2]" 1
1372 1 81 ALA H 1 83 GLY HA2 . . 5.500 5.208 5.018 5.512 0.012 17 0 "[ . 1 . 2]" 1
1373 1 80 LYS QE 1 81 ALA H . . 5.500 5.260 5.159 5.342 . 0 0 "[ . 1 . 2]" 1
1374 1 82 LEU H 1 84 ILE MD . . 4.510 4.384 4.232 4.506 . 0 0 "[ . 1 . 2]" 1
1375 1 80 LYS H 1 83 GLY H . . 5.270 4.789 4.342 5.224 . 0 0 "[ . 1 . 2]" 1
1376 1 82 LEU HA 1 84 ILE H . . 5.130 5.003 4.826 5.209 0.079 7 0 "[ . 1 . 2]" 1
1377 1 75 THR H 1 90 HIS H . . 5.430 4.795 2.200 5.460 0.030 20 0 "[ . 1 . 2]" 1
1378 1 92 GLU HB3 1 93 VAL H . . 3.750 3.631 2.912 3.789 0.039 14 0 "[ . 1 . 2]" 1
1379 1 93 VAL H 1 93 VAL MG1 . . 4.030 3.870 3.787 3.945 . 0 0 "[ . 1 . 2]" 1
1380 1 93 VAL H 1 107 ILE MG . . 4.230 3.847 3.352 4.224 . 0 0 "[ . 1 . 2]" 1
1381 1 95 PHE H 1 95 PHE QR . . 3.880 3.379 2.836 3.720 . 0 0 "[ . 1 . 2]" 1
1382 1 69 TYR QR 1 95 PHE H . . 5.500 5.481 5.319 5.545 0.045 17 0 "[ . 1 . 2]" 1
1383 1 95 PHE H 1 96 THR H . . 4.590 4.394 4.135 4.486 . 0 0 "[ . 1 . 2]" 1
1384 1 94 VAL HA 1 95 PHE H . . 3.280 2.153 2.141 2.156 . 0 0 "[ . 1 . 2]" 1
1385 1 68 ILE HA 1 95 PHE H . . 4.480 4.325 4.093 4.486 0.006 11 0 "[ . 1 . 2]" 1
1386 1 94 VAL HB 1 95 PHE H . . 4.500 4.339 4.105 4.379 . 0 0 "[ . 1 . 2]" 1
1387 1 69 TYR HB2 1 95 PHE H . . 4.840 4.585 4.341 4.744 . 0 0 "[ . 1 . 2]" 1
1388 1 94 VAL MG2 1 95 PHE H . . 4.950 4.160 4.113 4.221 . 0 0 "[ . 1 . 2]" 1
1389 1 68 ILE MG 1 96 THR H . . 4.920 4.752 4.402 4.942 0.022 3 0 "[ . 1 . 2]" 1
1390 1 14 VAL HA 1 107 ILE H . . 4.070 2.752 2.585 2.988 . 0 0 "[ . 1 . 2]" 1
1391 1 110 MET H 1 111 LEU H . . 4.650 4.393 4.366 4.427 . 0 0 "[ . 1 . 2]" 1
1392 1 108 ALA MB 1 110 MET H . . 4.980 4.787 4.656 4.905 . 0 0 "[ . 1 . 2]" 1
1393 1 114 TYR H 1 114 TYR QD . . 4.630 3.842 2.731 4.506 . 0 0 "[ . 1 . 2]" 1
1394 1 45 ALA H 1 46 SER HB2 . . 5.150 4.857 4.696 5.001 . 0 0 "[ . 1 . 2]" 1
1395 1 16 VAL H 1 49 THR MG . . 3.960 3.227 3.133 3.327 . 0 0 "[ . 1 . 2]" 1
1396 1 17 LEU HA 1 25 ALA H . . 4.090 2.298 2.043 2.456 . 0 0 "[ . 1 . 2]" 1
1397 1 27 ASN HA 1 27 ASN HD21 . . 4.370 1.939 1.929 1.945 . 0 0 "[ . 1 . 2]" 1
1398 1 27 ASN HD21 1 48 LYS QE . . 4.360 3.677 3.606 3.779 . 0 0 "[ . 1 . 2]" 1
1399 1 27 ASN HB3 1 27 ASN HD21 . . 3.250 2.822 2.819 2.823 . 0 0 "[ . 1 . 2]" 1
1400 1 27 ASN HD21 1 48 LYS HD2 . . 4.180 2.956 2.904 3.001 . 0 0 "[ . 1 . 2]" 1
1401 1 26 ILE MD 1 27 ASN HD21 . . 4.430 3.999 3.966 4.060 . 0 0 "[ . 1 . 2]" 1
1402 1 26 ILE MG 1 27 ASN HD21 . . 3.720 2.911 2.903 2.920 . 0 0 "[ . 1 . 2]" 1
1403 1 27 ASN HB3 1 27 ASN HD22 . . 3.840 3.733 3.731 3.734 . 0 0 "[ . 1 . 2]" 1
1404 1 27 ASN HD22 1 48 LYS HD2 . . 4.580 4.520 4.449 4.586 0.006 20 0 "[ . 1 . 2]" 1
1405 1 26 ILE MG 1 27 ASN HD22 . . 3.790 2.546 2.535 2.563 . 0 0 "[ . 1 . 2]" 1
1406 1 34 ARG HD3 1 34 ARG QH1 . . 3.720 2.094 2.085 2.105 . 0 0 "[ . 1 . 2]" 1
1407 1 34 ARG HD2 1 34 ARG QH1 . . 3.810 3.426 3.425 3.428 . 0 0 "[ . 1 . 2]" 1
1408 1 34 ARG HB3 1 34 ARG QH1 . . 4.710 4.106 4.078 4.132 . 0 0 "[ . 1 . 2]" 1
1409 1 34 ARG HG3 1 34 ARG QH1 . . 3.980 3.219 3.150 3.254 . 0 0 "[ . 1 . 2]" 1
1410 1 34 ARG HB2 1 34 ARG QH1 . . 4.710 4.382 4.335 4.419 . 0 0 "[ . 1 . 2]" 1
1411 1 34 ARG HG2 1 34 ARG QH1 . . 4.170 1.916 1.894 1.933 . 0 0 "[ . 1 . 2]" 1
1412 1 12 LEU HG 1 13 MET H . . 4.910 4.155 2.814 4.921 0.011 2 0 "[ . 1 . 2]" 1
1413 1 7 GLU H 1 8 SER H . . 4.650 3.768 2.087 4.521 . 0 0 "[ . 1 . 2]" 1
1414 1 14 VAL H 1 55 LEU H . . 4.490 2.853 2.524 3.136 . 0 0 "[ . 1 . 2]" 1
1415 1 15 LYS H 1 108 ALA HA . . 4.310 4.005 3.931 4.096 . 0 0 "[ . 1 . 2]" 1
1416 1 18 ASP H 1 19 ALA H . . 5.140 4.469 4.330 4.540 . 0 0 "[ . 1 . 2]" 1
1417 1 16 VAL MG1 1 18 ASP H . . 4.920 4.710 4.554 4.814 . 0 0 "[ . 1 . 2]" 1
1418 1 17 LEU H 1 25 ALA H . . 4.800 4.499 4.354 4.593 . 0 0 "[ . 1 . 2]" 1
1419 1 27 ASN H 1 28 VAL HA . . 5.270 5.265 5.245 5.280 0.010 15 0 "[ . 1 . 2]" 1
1420 1 26 ILE HB 1 27 ASN HD22 . . 5.500 5.555 5.549 5.561 0.061 11 0 "[ . 1 . 2]" 1
1421 1 26 ILE MD 1 27 ASN HD22 . . 4.210 3.580 3.535 3.658 . 0 0 "[ . 1 . 2]" 1
1422 1 92 GLU HB2 1 93 VAL H . . 3.900 2.536 2.243 3.513 . 0 0 "[ . 1 . 2]" 1
1423 1 30 VAL H 1 31 HIS H . . 4.370 4.282 4.261 4.304 . 0 0 "[ . 1 . 2]" 1
1424 1 34 ARG QH1 1 44 PHE QR . . 5.500 5.517 5.363 5.579 0.079 13 0 "[ . 1 . 2]" 1
1425 1 126 LYS H 1 126 LYS HB2 . . 3.720 3.561 3.543 3.570 . 0 0 "[ . 1 . 2]" 1
1426 1 33 PHE H 1 70 LYS HA . . 4.800 4.497 4.382 4.611 . 0 0 "[ . 1 . 2]" 1
1427 1 69 TYR QR 1 70 LYS H . . 4.180 3.972 3.817 4.164 . 0 0 "[ . 1 . 2]" 1
1428 1 50 SER H 1 52 SER H . . 4.570 4.089 4.039 4.115 . 0 0 "[ . 1 . 2]" 1
1429 1 35 LYS HA 1 41 TRP HA . . 3.800 3.423 3.362 3.490 . 0 0 "[ . 1 . 2]" 1
1430 1 72 GLU HA 1 92 GLU HA . . 3.970 3.046 2.455 3.951 . 0 0 "[ . 1 . 2]" 1
1431 1 17 LEU HA 1 24 PRO HB3 . . 4.340 4.331 4.270 4.442 0.102 19 0 "[ . 1 . 2]" 1
1432 1 17 LEU HB2 1 18 ASP HA . . 5.080 5.088 5.035 5.132 0.052 20 0 "[ . 1 . 2]" 1
1433 1 19 ALA MB 1 112 SER QB . . 3.920 2.895 2.179 3.924 0.004 16 0 "[ . 1 . 2]" 1
1434 1 21 ARG HA 1 21 ARG QD . . 3.850 3.739 3.676 3.855 0.005 19 0 "[ . 1 . 2]" 1
1435 1 21 ARG HB3 1 21 ARG QD . . 3.400 3.225 3.131 3.338 . 0 0 "[ . 1 . 2]" 1
1436 1 17 LEU MD1 1 24 PRO HA . . 4.980 4.052 3.825 4.261 . 0 0 "[ . 1 . 2]" 1
1437 1 17 LEU MD2 1 24 PRO HA . . 4.980 4.346 4.145 4.482 . 0 0 "[ . 1 . 2]" 1
1438 1 26 ILE HA 1 26 ILE MD . . 3.440 2.322 2.297 2.396 . 0 0 "[ . 1 . 2]" 1
1439 1 27 ASN HB3 1 48 LYS HD2 . . 4.030 2.767 2.610 3.027 . 0 0 "[ . 1 . 2]" 1
1440 1 49 THR HA 1 55 LEU HB2 . . 4.440 3.437 3.151 4.249 . 0 0 "[ . 1 . 2]" 1
1441 1 28 VAL HA 1 28 VAL MG1 . . 3.520 2.372 2.307 2.403 . 0 0 "[ . 1 . 2]" 1
1442 1 29 ALA MB 1 74 ASP HB2 . . 3.250 2.197 1.893 2.546 . 0 0 "[ . 1 . 2]" 1
1443 1 29 ALA MB 1 74 ASP HB3 . . 3.250 2.509 1.992 2.853 . 0 0 "[ . 1 . 2]" 1
1444 1 30 VAL MG1 1 31 HIS HA . . 4.460 3.643 3.548 3.773 . 0 0 "[ . 1 . 2]" 1
1445 1 34 ARG HB3 1 34 ARG HD2 . . 4.210 2.220 2.171 2.258 . 0 0 "[ . 1 . 2]" 1
1446 1 35 LYS HA 1 35 LYS QD . . 3.960 2.278 2.228 2.455 . 0 0 "[ . 1 . 2]" 1
1447 1 35 LYS QD 1 39 ASP HA . . 3.540 1.933 1.923 1.939 . 0 0 "[ . 1 . 2]" 1
1448 1 40 THR HA 1 40 THR MG . . 3.050 2.502 2.446 2.514 . 0 0 "[ . 1 . 2]" 1
1449 1 20 VAL HB 1 21 ARG QD . . 4.310 2.122 1.987 2.400 . 0 0 "[ . 1 . 2]" 1
1450 1 45 ALA HA 1 58 LEU HA . . 5.500 4.222 3.731 4.779 . 0 0 "[ . 1 . 2]" 1
1451 1 29 ALA HA 1 48 LYS HA . . 3.780 2.987 2.898 3.106 . 0 0 "[ . 1 . 2]" 1
1452 1 45 ALA HA 1 46 SER HB3 . . 4.530 3.973 3.920 4.059 . 0 0 "[ . 1 . 2]" 1
1453 1 31 HIS HA 1 46 SER HB3 . . 4.090 4.086 3.971 4.133 0.043 14 0 "[ . 1 . 2]" 1
1454 1 51 GLU QB 1 52 SER HA . . 4.410 4.381 4.373 4.390 . 0 0 "[ . 1 . 2]" 1
1455 1 24 PRO HG3 1 52 SER HA . . 4.070 3.717 3.684 3.738 . 0 0 "[ . 1 . 2]" 1
1456 1 55 LEU HA 1 55 LEU MD2 . . 3.940 2.633 1.908 3.148 . 0 0 "[ . 1 . 2]" 1
1457 1 55 LEU HA 1 55 LEU MD1 . . 3.940 3.632 2.643 3.783 . 0 0 "[ . 1 . 2]" 1
1458 1 23 SER HA 1 24 PRO HD3 . . 3.550 2.361 2.357 2.366 . 0 0 "[ . 1 . 2]" 1
1459 1 58 LEU HB3 1 59 THR MG . . 5.500 4.499 4.077 4.904 . 0 0 "[ . 1 . 2]" 1
1460 1 58 LEU HB3 1 58 LEU MD1 . . 3.460 2.617 2.190 3.184 . 0 0 "[ . 1 . 2]" 1
1461 1 59 THR HA 1 60 THR MG . . 3.970 3.813 3.505 3.930 . 0 0 "[ . 1 . 2]" 1
1462 1 60 THR HA 1 60 THR MG . . 3.010 2.254 2.174 2.347 . 0 0 "[ . 1 . 2]" 1
1463 1 61 GLU QG 1 62 GLU HA . . 4.360 3.515 3.321 3.675 . 0 0 "[ . 1 . 2]" 1
1464 1 63 GLU HA 1 63 GLU QG . . 3.460 3.384 3.324 3.449 . 0 0 "[ . 1 . 2]" 1
1465 1 68 ILE HA 1 68 ILE MD . . 3.860 3.890 3.878 3.899 0.039 3 0 "[ . 1 . 2]" 1
1466 1 68 ILE MD 1 96 THR HA . . 4.110 3.606 3.510 3.718 . 0 0 "[ . 1 . 2]" 1
1467 1 76 LYS HA 1 76 LYS QE . . 4.750 4.670 4.496 4.932 0.182 6 0 "[ . 1 . 2]" 1
1468 1 76 LYS QB 1 77 SER QB . . 4.960 4.630 4.263 4.987 0.027 14 0 "[ . 1 . 2]" 1
1469 1 80 LYS HA 1 80 LYS QE . . 4.420 4.352 4.057 4.437 0.017 16 0 "[ . 1 . 2]" 1
1470 1 80 LYS QE 1 80 LYS HG3 . . 3.520 3.298 3.246 3.414 . 0 0 "[ . 1 . 2]" 1
1471 1 84 ILE MG 1 85 SER HA . . 4.500 4.084 4.038 4.119 . 0 0 "[ . 1 . 2]" 1
1472 1 93 VAL HA 1 93 VAL MG2 . . 3.530 2.331 2.272 2.417 . 0 0 "[ . 1 . 2]" 1
1473 1 68 ILE HA 1 96 THR HA . . 4.010 2.656 2.472 2.802 . 0 0 "[ . 1 . 2]" 1
1474 1 106 THR HA 1 106 THR MG . . 3.360 2.330 2.295 2.358 . 0 0 "[ . 1 . 2]" 1
1475 1 15 LYS QD 1 106 THR MG . . 3.820 3.847 3.831 3.861 0.041 4 0 "[ . 1 . 2]" 1
1476 1 13 MET QB 1 106 THR MG . . 3.740 3.585 3.498 3.693 . 0 0 "[ . 1 . 2]" 1
1477 1 107 ILE HA 1 107 ILE MD . . 4.320 3.375 3.225 3.431 . 0 0 "[ . 1 . 2]" 1
1478 1 22 GLY HA2 1 110 MET ME . . 3.740 3.293 3.098 3.404 . 0 0 "[ . 1 . 2]" 1
1479 1 22 GLY HA3 1 110 MET ME . . 4.640 4.488 4.258 4.637 . 0 0 "[ . 1 . 2]" 1
1480 1 19 ALA MB 1 110 MET ME . . 2.850 1.972 1.833 2.223 . 0 0 "[ . 1 . 2]" 1
1481 1 110 MET HA 1 110 MET ME . . 3.810 3.534 3.455 3.674 . 0 0 "[ . 1 . 2]" 1
1482 1 110 MET HA 1 110 MET HG2 . . 4.180 2.334 2.315 2.358 . 0 0 "[ . 1 . 2]" 1
1483 1 19 ALA HA 1 110 MET ME . . 3.260 2.030 1.906 2.086 . 0 0 "[ . 1 . 2]" 1
1484 1 25 ALA MB 1 111 LEU MD1 . . 4.140 4.194 4.151 4.228 0.088 20 0 "[ . 1 . 2]" 1
1485 1 28 VAL MG2 1 111 LEU MD1 . . 4.200 4.222 4.162 4.282 0.082 14 0 "[ . 1 . 2]" 1
1486 1 18 ASP HA 1 111 LEU MD1 . . 4.450 4.353 4.227 4.451 0.001 16 0 "[ . 1 . 2]" 1
1487 1 75 THR HB 1 111 LEU MD1 . . 4.510 3.467 2.844 4.120 . 0 0 "[ . 1 . 2]" 1
1488 1 75 THR HA 1 111 LEU MD1 . . 5.080 4.521 3.918 5.089 0.009 20 0 "[ . 1 . 2]" 1
1489 1 114 TYR HA 1 114 TYR QD . . 4.090 2.522 2.031 3.051 . 0 0 "[ . 1 . 2]" 1
1490 1 114 TYR HA 1 114 TYR QE . . 4.630 4.473 4.222 4.649 0.019 4 0 "[ . 1 . 2]" 1
1491 1 1 GLY HA2 1 2 PRO QD . . 3.330 2.221 2.012 2.488 . 0 0 "[ . 1 . 2]" 1
1492 1 1 GLY HA3 1 2 PRO QD . . 3.330 2.693 2.073 3.428 0.098 11 0 "[ . 1 . 2]" 1
1493 1 2 PRO HA 1 3 THR MG . . 4.460 3.955 3.784 4.456 . 0 0 "[ . 1 . 2]" 1
1494 1 13 MET HG3 1 14 VAL MG2 . . 5.340 5.159 5.065 5.226 . 0 0 "[ . 1 . 2]" 1
1495 1 20 VAL MG1 1 21 ARG HB3 . . 4.930 4.684 4.405 4.913 . 0 0 "[ . 1 . 2]" 1
1496 1 3 THR HA 1 3 THR HB . . 2.640 2.411 2.381 2.480 . 0 0 "[ . 1 . 2]" 1
1497 1 5 THR HA 1 5 THR HB . . 2.840 2.453 2.380 2.573 . 0 0 "[ . 1 . 2]" 1
1498 1 3 THR HA 1 3 THR MG . . 2.900 2.383 2.256 2.439 . 0 0 "[ . 1 . 2]" 1
1499 1 5 THR HA 1 5 THR MG . . 3.100 2.350 2.147 2.451 . 0 0 "[ . 1 . 2]" 1
1500 1 3 THR HB 1 4 GLY QA . . 4.430 4.144 3.783 4.425 . 0 0 "[ . 1 . 2]" 1
1501 1 2 PRO HB2 1 3 THR MG . . 3.580 3.439 2.701 3.583 0.003 14 0 "[ . 1 . 2]" 1
1502 1 106 THR HB 1 108 ALA MB . . 5.000 4.658 4.506 4.789 . 0 0 "[ . 1 . 2]" 1
1503 1 21 ARG HA 1 21 ARG HG2 . . 3.760 3.596 3.517 3.634 . 0 0 "[ . 1 . 2]" 1
1504 1 20 VAL MG1 1 21 ARG HA . . 4.080 3.759 3.622 3.926 . 0 0 "[ . 1 . 2]" 1
1505 1 79 TRP HA 1 84 ILE HB . . 4.200 2.599 2.115 3.079 . 0 0 "[ . 1 . 2]" 1
1506 1 8 SER HA 1 9 LYS QD . . 4.360 3.289 3.003 3.973 . 0 0 "[ . 1 . 2]" 1
1507 1 8 SER HA 1 9 LYS QE . . 4.760 2.704 1.971 3.264 . 0 0 "[ . 1 . 2]" 1
1508 1 8 SER HA 1 8 SER QB . . 2.670 2.281 2.165 2.502 . 0 0 "[ . 1 . 2]" 1
1509 1 9 LYS HA 1 9 LYS QE . . 4.240 4.009 3.196 4.242 0.002 4 0 "[ . 1 . 2]" 1
1510 1 9 LYS HB2 1 9 LYS QE . . 4.500 3.431 1.942 4.291 . 0 0 "[ . 1 . 2]" 1
1511 1 126 LYS HB2 1 126 LYS QE . . 4.920 3.970 3.338 4.450 . 0 0 "[ . 1 . 2]" 1
1512 1 126 LYS HB2 1 127 GLU QG . . 4.980 4.665 3.780 5.003 0.023 1 0 "[ . 1 . 2]" 1
1513 1 125 PRO HB2 1 126 LYS HB3 . . 4.660 4.453 4.190 4.661 0.001 16 0 "[ . 1 . 2]" 1
1514 1 9 LYS HB3 1 9 LYS QE . . 4.500 3.586 1.972 4.471 . 0 0 "[ . 1 . 2]" 1
1515 1 126 LYS HB3 1 126 LYS QE . . 4.660 3.066 1.953 4.007 . 0 0 "[ . 1 . 2]" 1
1516 1 126 LYS HA 1 126 LYS QD . . 3.770 3.652 3.618 3.710 . 0 0 "[ . 1 . 2]" 1
1517 1 8 SER QB 1 9 LYS QE . . 4.030 3.680 2.442 4.042 0.012 10 0 "[ . 1 . 2]" 1
1518 1 76 LYS QE 1 77 SER QB . . 4.320 3.689 1.872 4.362 0.042 20 0 "[ . 1 . 2]" 1
1519 1 10 CYS HA 1 11 PRO QG . . 4.540 4.037 3.766 4.085 . 0 0 "[ . 1 . 2]" 1
1520 1 36 ALA MB 1 41 TRP HA . . 4.410 3.929 3.754 4.037 . 0 0 "[ . 1 . 2]" 1
1521 1 10 CYS HA 1 59 THR MG . . 4.510 3.996 2.902 4.514 0.004 4 0 "[ . 1 . 2]" 1
1522 1 33 PHE QD 1 41 TRP HA . . 4.300 3.819 3.702 3.898 . 0 0 "[ . 1 . 2]" 1
1523 1 10 CYS QB 1 11 PRO HD2 . . 4.550 2.084 1.948 3.285 . 0 0 "[ . 1 . 2]" 1
1524 1 74 ASP HA 1 76 LYS HG3 . . 4.810 3.787 3.282 4.610 . 0 0 "[ . 1 . 2]" 1
1525 1 34 ARG HA 1 69 TYR HA . . 4.310 2.657 2.598 2.704 . 0 0 "[ . 1 . 2]" 1
1526 1 12 LEU H 1 12 LEU MD1 . . 4.620 4.231 3.978 4.553 . 0 0 "[ . 1 . 2]" 1
1527 1 12 LEU HA 1 12 LEU MD1 . . 4.060 2.924 2.522 3.335 . 0 0 "[ . 1 . 2]" 1
1528 1 12 LEU MD1 1 13 MET HA . . 4.540 3.431 2.984 4.209 . 0 0 "[ . 1 . 2]" 1
1529 1 81 ALA HA 1 82 LEU MD2 . . 4.480 4.139 4.070 4.205 . 0 0 "[ . 1 . 2]" 1
1530 1 12 LEU MD2 1 13 MET HA . . 4.540 4.418 3.828 4.639 0.099 17 0 "[ . 1 . 2]" 1
1531 1 13 MET HA 1 14 VAL MG2 . . 4.390 3.510 3.397 3.652 . 0 0 "[ . 1 . 2]" 1
1532 1 13 MET HA 1 13 MET ME . . 4.220 3.906 3.797 3.995 . 0 0 "[ . 1 . 2]" 1
1533 1 13 MET ME 1 13 MET HG3 . . 3.250 2.369 2.302 2.483 . 0 0 "[ . 1 . 2]" 1
1534 1 13 MET ME 1 13 MET HG2 . . 3.470 3.376 3.360 3.398 . 0 0 "[ . 1 . 2]" 1
1535 1 13 MET HG2 1 106 THR HB . . 4.790 4.639 4.558 4.769 . 0 0 "[ . 1 . 2]" 1
1536 1 14 VAL MG1 1 49 THR HB . . 4.210 4.078 3.910 4.199 . 0 0 "[ . 1 . 2]" 1
1537 1 72 GLU HA 1 73 ILE HB . . 4.650 4.585 4.513 4.699 0.049 19 0 "[ . 1 . 2]" 1
1538 1 29 ALA HA 1 48 LYS QB . . 4.280 4.219 4.129 4.287 0.007 14 0 "[ . 1 . 2]" 1
1539 1 27 ASN HA 1 48 LYS QB . . 3.970 2.468 2.309 2.697 . 0 0 "[ . 1 . 2]" 1
1540 1 13 MET ME 1 15 LYS HB3 . . 4.020 3.390 3.285 3.500 . 0 0 "[ . 1 . 2]" 1
1541 1 27 ASN HB3 1 48 LYS HD3 . . 4.350 3.606 3.527 3.790 . 0 0 "[ . 1 . 2]" 1
1542 1 13 MET ME 1 15 LYS QD . . 3.630 2.878 2.687 2.974 . 0 0 "[ . 1 . 2]" 1
1543 1 15 LYS QE 1 15 LYS QG . . 3.130 1.970 1.955 1.985 . 0 0 "[ . 1 . 2]" 1
1544 1 15 LYS QG 1 53 GLY HA3 . . 4.730 4.431 4.312 4.571 . 0 0 "[ . 1 . 2]" 1
1545 1 15 LYS HA 1 16 VAL HB . . 4.780 4.695 4.663 4.737 . 0 0 "[ . 1 . 2]" 1
1546 1 16 VAL MG1 1 111 LEU HG . . 3.640 3.573 3.430 3.669 0.029 3 0 "[ . 1 . 2]" 1
1547 1 16 VAL MG1 1 110 MET HA . . 4.550 4.230 4.057 4.364 . 0 0 "[ . 1 . 2]" 1
1548 1 16 VAL HA 1 16 VAL MG1 . . 3.520 2.346 2.286 2.413 . 0 0 "[ . 1 . 2]" 1
1549 1 16 VAL MG1 1 49 THR HB . . 4.660 4.427 4.239 4.603 . 0 0 "[ . 1 . 2]" 1
1550 1 110 MET HB2 1 111 LEU MD2 . . 5.340 5.236 5.175 5.365 0.025 19 0 "[ . 1 . 2]" 1
1551 1 30 VAL MG1 1 46 SER HA . . 4.100 4.090 3.991 4.129 0.029 8 0 "[ . 1 . 2]" 1
1552 1 16 VAL HA 1 16 VAL MG2 . . 3.430 2.380 2.329 2.429 . 0 0 "[ . 1 . 2]" 1
1553 1 16 VAL MG2 1 49 THR HB . . 4.040 3.692 3.555 3.924 . 0 0 "[ . 1 . 2]" 1
1554 1 30 VAL MG1 1 32 VAL HA . . 4.270 4.268 4.204 4.290 0.020 17 0 "[ . 1 . 2]" 1
1555 1 17 LEU HB2 1 110 MET HG2 . . 5.370 5.024 4.906 5.122 . 0 0 "[ . 1 . 2]" 1
1556 1 17 LEU HB2 1 110 MET ME . . 4.730 4.676 4.458 4.736 0.006 12 0 "[ . 1 . 2]" 1
1557 1 17 LEU HB2 1 24 PRO HB3 . . 4.600 4.143 3.935 4.298 . 0 0 "[ . 1 . 2]" 1
1558 1 17 LEU HA 1 17 LEU MD2 . . 4.130 4.037 4.006 4.078 . 0 0 "[ . 1 . 2]" 1
1559 1 17 LEU MD1 1 110 MET HG2 . . 4.220 2.896 2.691 3.074 . 0 0 "[ . 1 . 2]" 1
1560 1 17 LEU MD2 1 110 MET HG2 . . 4.220 2.398 2.361 2.442 . 0 0 "[ . 1 . 2]" 1
1561 1 79 TRP HA 1 84 ILE HG13 . . 4.160 3.184 2.806 3.650 . 0 0 "[ . 1 . 2]" 1
1562 1 15 LYS QE 1 17 LEU HG . . 4.420 4.266 4.131 4.384 . 0 0 "[ . 1 . 2]" 1
1563 1 17 LEU HG 1 110 MET ME . . 3.950 2.978 2.767 3.053 . 0 0 "[ . 1 . 2]" 1
1564 1 19 ALA HA 1 20 VAL HA . . 4.960 4.750 4.665 4.902 . 0 0 "[ . 1 . 2]" 1
1565 1 19 ALA MB 1 20 VAL MG2 . . 3.840 3.609 3.347 3.801 . 0 0 "[ . 1 . 2]" 1
1566 1 19 ALA MB 1 110 MET HG2 . . 3.700 3.713 3.689 3.737 0.037 19 0 "[ . 1 . 2]" 1
1567 1 19 ALA MB 1 110 MET HB2 . . 3.720 3.433 3.359 3.542 . 0 0 "[ . 1 . 2]" 1
1568 1 19 ALA MB 1 110 MET HA . . 3.800 3.754 3.656 3.820 0.020 20 0 "[ . 1 . 2]" 1
1569 1 19 ALA MB 1 111 LEU HA . . 4.740 4.285 4.126 4.514 . 0 0 "[ . 1 . 2]" 1
1570 1 109 ALA MB 1 111 LEU MD1 . . 4.160 3.267 3.064 3.411 . 0 0 "[ . 1 . 2]" 1
1571 1 16 VAL MG2 1 109 ALA MB . . 2.950 2.010 1.936 2.115 . 0 0 "[ . 1 . 2]" 1
1572 1 20 VAL MG2 1 21 ARG QD . . 3.930 3.563 3.374 3.716 . 0 0 "[ . 1 . 2]" 1
1573 1 16 VAL HA 1 109 ALA MB . . 3.650 2.587 2.444 2.787 . 0 0 "[ . 1 . 2]" 1
1574 1 41 TRP HZ2 1 94 VAL MG1 . . 3.650 3.314 2.714 3.655 0.005 3 0 "[ . 1 . 2]" 1
1575 1 20 VAL MG1 1 21 ARG QD . . 3.720 2.940 2.205 3.582 . 0 0 "[ . 1 . 2]" 1
1576 1 69 TYR HB3 1 71 VAL MG2 . . 3.520 3.344 3.203 3.534 0.014 20 0 "[ . 1 . 2]" 1
1577 1 21 ARG QD 1 23 SER HB2 . . 5.500 4.667 4.295 5.001 . 0 0 "[ . 1 . 2]" 1
1578 1 21 ARG QD 1 84 ILE MG . . 5.300 5.113 4.646 5.321 0.021 20 0 "[ . 1 . 2]" 1
1579 1 23 SER HA 1 24 PRO HG3 . . 4.620 4.559 4.553 4.565 . 0 0 "[ . 1 . 2]" 1
1580 1 23 SER HB2 1 24 PRO HG3 . . 5.290 4.791 4.702 4.974 . 0 0 "[ . 1 . 2]" 1
1581 1 23 SER HB3 1 24 PRO HG3 . . 5.290 5.069 4.895 5.166 . 0 0 "[ . 1 . 2]" 1
1582 1 21 ARG HB2 1 23 SER HB3 . . 4.520 4.372 4.230 4.517 . 0 0 "[ . 1 . 2]" 1
1583 1 17 LEU HA 1 24 PRO HA . . 3.950 2.139 2.092 2.228 . 0 0 "[ . 1 . 2]" 1
1584 1 125 PRO HA 1 126 LYS QD . . 4.190 3.959 3.725 4.220 0.030 13 0 "[ . 1 . 2]" 1
1585 1 24 PRO HB2 1 53 GLY HA3 . . 4.440 4.327 4.198 4.434 . 0 0 "[ . 1 . 2]" 1
1586 1 17 LEU MD1 1 24 PRO HD3 . . 5.500 4.835 4.644 5.005 . 0 0 "[ . 1 . 2]" 1
1587 1 17 LEU MD2 1 24 PRO HD3 . . 5.500 5.430 5.231 5.511 0.011 15 0 "[ . 1 . 2]" 1
1588 1 23 SER HA 1 24 PRO HG2 . . 4.690 4.626 4.619 4.631 . 0 0 "[ . 1 . 2]" 1
1589 1 16 VAL MG1 1 25 ALA HA . . 4.890 4.620 4.439 4.775 . 0 0 "[ . 1 . 2]" 1
1590 1 25 ALA MB 1 28 VAL HA . . 4.990 4.670 4.603 4.724 . 0 0 "[ . 1 . 2]" 1
1591 1 25 ALA MB 1 53 GLY HA2 . . 5.500 5.461 5.274 5.506 0.006 19 0 "[ . 1 . 2]" 1
1592 1 26 ILE MD 1 50 SER HA . . 4.420 2.263 2.251 2.280 . 0 0 "[ . 1 . 2]" 1
1593 1 26 ILE MD 1 27 ASN HB2 . . 5.340 5.137 5.121 5.167 . 0 0 "[ . 1 . 2]" 1
1594 1 26 ILE HB 1 26 ILE MD . . 3.160 3.185 3.173 3.189 0.029 13 0 "[ . 1 . 2]" 1
1595 1 26 ILE HA 1 26 ILE MG . . 3.190 2.678 2.666 2.691 . 0 0 "[ . 1 . 2]" 1
1596 1 26 ILE MG 1 27 ASN HB2 . . 3.650 2.818 2.810 2.830 . 0 0 "[ . 1 . 2]" 1
1597 1 27 ASN HA 1 48 LYS HD2 . . 3.570 2.177 2.097 2.238 . 0 0 "[ . 1 . 2]" 1
1598 1 27 ASN HB2 1 48 LYS HD2 . . 4.490 4.244 4.135 4.440 . 0 0 "[ . 1 . 2]" 1
1599 1 28 VAL MG1 1 74 ASP HB3 . . 5.110 4.918 4.443 5.129 0.019 15 0 "[ . 1 . 2]" 1
1600 1 28 VAL MG2 1 111 LEU HG . . 4.280 4.195 4.029 4.296 0.016 20 0 "[ . 1 . 2]" 1
1601 1 32 VAL MG2 1 45 ALA HA . . 5.020 4.743 4.628 4.834 . 0 0 "[ . 1 . 2]" 1
1602 1 28 VAL MG1 1 29 ALA HA . . 4.900 4.285 4.240 4.341 . 0 0 "[ . 1 . 2]" 1
1603 1 30 VAL HA 1 73 ILE HB . . 5.440 5.362 5.248 5.486 0.046 17 0 "[ . 1 . 2]" 1
1604 1 30 VAL HA 1 73 ILE HG13 . . 4.240 3.510 3.239 3.761 . 0 0 "[ . 1 . 2]" 1
1605 1 125 PRO HB2 1 126 LYS QG . . 4.630 4.244 3.998 4.523 . 0 0 "[ . 1 . 2]" 1
1606 1 32 VAL MG1 1 69 TYR HA . . 4.040 3.864 3.714 4.012 . 0 0 "[ . 1 . 2]" 1
1607 1 32 VAL MG1 1 69 TYR QR . . 3.880 3.457 3.243 3.672 . 0 0 "[ . 1 . 2]" 1
1608 1 32 VAL MG2 1 71 VAL HA . . 3.660 3.191 2.964 3.364 . 0 0 "[ . 1 . 2]" 1
1609 1 34 ARG HA 1 69 TYR QR . . 4.540 3.227 3.035 3.445 . 0 0 "[ . 1 . 2]" 1
1610 1 17 LEU HB2 1 110 MET HA . . 5.500 5.376 5.324 5.428 . 0 0 "[ . 1 . 2]" 1
1611 1 34 ARG HA 1 34 ARG HG3 . . 4.250 3.477 3.443 3.527 . 0 0 "[ . 1 . 2]" 1
1612 1 72 GLU HA 1 92 GLU HB2 . . 4.410 3.480 2.871 4.063 . 0 0 "[ . 1 . 2]" 1
1613 1 35 LYS HA 1 35 LYS QE . . 4.800 3.059 3.021 3.230 . 0 0 "[ . 1 . 2]" 1
1614 1 35 LYS QE 1 39 ASP HA . . 3.590 2.891 2.387 3.045 . 0 0 "[ . 1 . 2]" 1
1615 1 35 LYS QE 1 68 ILE MD . . 3.350 3.352 3.294 3.414 0.064 11 0 "[ . 1 . 2]" 1
1616 1 34 ARG HD2 1 35 LYS QG . . 5.500 5.618 5.583 5.644 0.144 9 0 "[ . 1 . 2]" 1
1617 1 35 LYS QD 1 36 ALA HA . . 4.560 4.259 4.005 4.319 . 0 0 "[ . 1 . 2]" 1
1618 1 36 ALA MB 1 39 ASP HA . . 4.490 4.382 4.325 4.456 . 0 0 "[ . 1 . 2]" 1
1619 1 34 ARG HD2 1 36 ALA MB . . 4.920 4.868 4.766 4.962 0.042 11 0 "[ . 1 . 2]" 1
1620 1 36 ALA MB 1 42 GLU QG . . 3.040 1.841 1.766 1.909 . 0 0 "[ . 1 . 2]" 1
1621 1 36 ALA MB 1 42 GLU HB2 . . 3.470 3.265 3.075 3.452 . 0 0 "[ . 1 . 2]" 1
1622 1 35 LYS QD 1 39 ASP QB . . 3.660 3.593 3.556 3.700 0.040 7 0 "[ . 1 . 2]" 1
1623 1 39 ASP QB 1 40 THR HA . . 4.640 4.329 4.257 4.584 . 0 0 "[ . 1 . 2]" 1
1624 1 36 ALA MB 1 40 THR HA . . 4.270 4.110 4.069 4.199 . 0 0 "[ . 1 . 2]" 1
1625 1 36 ALA MB 1 40 THR MG . . 3.110 2.962 2.895 3.080 . 0 0 "[ . 1 . 2]" 1
1626 1 96 THR MG 1 99 ASP HB2 . . 3.620 2.422 1.990 3.418 . 0 0 "[ . 1 . 2]" 1
1627 1 38 ASP HA 1 40 THR MG . . 4.120 4.033 3.995 4.082 . 0 0 "[ . 1 . 2]" 1
1628 1 95 PHE HA 1 96 THR MG . . 4.030 3.713 3.515 4.000 . 0 0 "[ . 1 . 2]" 1
1629 1 36 ALA HA 1 42 GLU QG . . 3.780 3.001 2.753 3.119 . 0 0 "[ . 1 . 2]" 1
1630 1 42 GLU HA 1 43 PRO HG2 . . 4.590 4.474 4.454 4.496 . 0 0 "[ . 1 . 2]" 1
1631 1 93 VAL MG1 1 107 ILE HA . . 4.510 3.128 2.904 3.369 . 0 0 "[ . 1 . 2]" 1
1632 1 44 PHE HA 1 44 PHE QR . . 3.920 3.034 2.933 3.072 . 0 0 "[ . 1 . 2]" 1
1633 1 44 PHE HA 1 45 ALA MB . . 4.370 4.211 4.157 4.297 . 0 0 "[ . 1 . 2]" 1
1634 1 45 ALA MB 1 59 THR HA . . 4.870 4.420 3.768 4.860 . 0 0 "[ . 1 . 2]" 1
1635 1 46 SER HB2 1 58 LEU MD2 . . 5.500 4.609 4.221 5.501 0.001 5 0 "[ . 1 . 2]" 1
1636 1 31 HIS HA 1 46 SER HB2 . . 3.800 2.507 2.411 2.562 . 0 0 "[ . 1 . 2]" 1
1637 1 28 VAL MG1 1 48 LYS HA . . 4.550 4.592 4.553 4.626 0.076 4 0 "[ . 1 . 2]" 1
1638 1 48 LYS HA 1 48 LYS HD3 . . 4.630 4.626 4.599 4.638 0.008 1 0 "[ . 1 . 2]" 1
1639 1 27 ASN HA 1 48 LYS HD3 . . 4.110 3.712 3.588 3.782 . 0 0 "[ . 1 . 2]" 1
1640 1 26 ILE MG 1 48 LYS HD2 . . 5.110 5.124 5.097 5.155 0.045 17 0 "[ . 1 . 2]" 1
1641 1 29 ALA HA 1 48 LYS QE . . 4.720 4.680 4.565 4.726 0.006 1 0 "[ . 1 . 2]" 1
1642 1 27 ASN HA 1 48 LYS QE . . 3.850 3.778 3.686 3.863 0.013 14 0 "[ . 1 . 2]" 1
1643 1 48 LYS QB 1 48 LYS QE . . 2.700 2.113 2.034 2.154 . 0 0 "[ . 1 . 2]" 1
1644 1 48 LYS QE 1 48 LYS HG3 . . 3.070 2.268 2.243 2.314 . 0 0 "[ . 1 . 2]" 1
1645 1 29 ALA HA 1 48 LYS HG3 . . 4.210 2.640 2.533 2.725 . 0 0 "[ . 1 . 2]" 1
1646 1 27 ASN HA 1 48 LYS HG3 . . 4.740 4.541 4.436 4.646 . 0 0 "[ . 1 . 2]" 1
1647 1 28 VAL HA 1 48 LYS HG3 . . 5.440 5.366 5.213 5.442 0.002 9 0 "[ . 1 . 2]" 1
1648 1 48 LYS HA 1 48 LYS HG3 . . 3.990 2.705 2.635 2.726 . 0 0 "[ . 1 . 2]" 1
1649 1 28 VAL HB 1 49 THR HB . . 4.480 3.824 3.747 3.886 . 0 0 "[ . 1 . 2]" 1
1650 1 30 VAL HB 1 49 THR MG . . 3.830 3.594 3.406 3.799 . 0 0 "[ . 1 . 2]" 1
1651 1 49 THR MG 1 54 GLU HA . . 5.500 5.342 5.175 5.518 0.018 15 0 "[ . 1 . 2]" 1
1652 1 30 VAL HA 1 49 THR MG . . 5.130 4.939 4.889 5.016 . 0 0 "[ . 1 . 2]" 1
1653 1 29 ALA HA 1 49 THR MG . . 5.350 5.124 5.044 5.194 . 0 0 "[ . 1 . 2]" 1
1654 1 49 THR HA 1 49 THR MG . . 3.430 2.447 2.420 2.483 . 0 0 "[ . 1 . 2]" 1
1655 1 24 PRO HB2 1 51 GLU HA . . 4.340 2.735 2.654 2.837 . 0 0 "[ . 1 . 2]" 1
1656 1 26 ILE MG 1 51 GLU QB . . 4.140 4.124 4.092 4.140 0.000 13 0 "[ . 1 . 2]" 1
1657 1 26 ILE HB 1 51 GLU QB . . 4.330 4.337 4.322 4.352 0.022 16 0 "[ . 1 . 2]" 1
1658 1 50 SER HA 1 51 GLU QB . . 4.760 4.609 4.603 4.637 . 0 0 "[ . 1 . 2]" 1
1659 1 51 GLU QG 1 52 SER HB2 . . 4.000 3.553 3.319 3.683 . 0 0 "[ . 1 . 2]" 1
1660 1 51 GLU QB 1 51 GLU QG . . 2.470 2.028 2.026 2.030 . 0 0 "[ . 1 . 2]" 1
1661 1 26 ILE MD 1 51 GLU QG . . 3.030 2.252 2.234 2.274 . 0 0 "[ . 1 . 2]" 1
1662 1 49 THR MG 1 53 GLY HA2 . . 4.490 4.506 4.467 4.533 0.043 16 0 "[ . 1 . 2]" 1
1663 1 55 LEU HB3 1 58 LEU HG . . 5.190 3.588 2.338 5.196 0.006 4 0 "[ . 1 . 2]" 1
1664 1 14 VAL MG2 1 55 LEU HB3 . . 4.230 3.431 3.060 4.225 . 0 0 "[ . 1 . 2]" 1
1665 1 55 LEU HB2 1 58 LEU HB2 . . 5.500 5.111 4.254 5.509 0.009 13 0 "[ . 1 . 2]" 1
1666 1 47 GLY HA3 1 55 LEU MD1 . . 4.040 2.949 1.870 3.341 . 0 0 "[ . 1 . 2]" 1
1667 1 45 ALA MB 1 58 LEU HB3 . . 4.420 2.123 1.916 2.898 . 0 0 "[ . 1 . 2]" 1
1668 1 46 SER HA 1 58 LEU MD2 . . 4.200 2.820 2.417 3.876 . 0 0 "[ . 1 . 2]" 1
1669 1 60 THR HB 1 61 GLU QB . . 5.050 4.437 4.225 4.748 . 0 0 "[ . 1 . 2]" 1
1670 1 26 ILE HG12 1 51 GLU QB . . 4.310 2.459 2.422 2.551 . 0 0 "[ . 1 . 2]" 1
1671 1 60 THR HB 1 61 GLU QG . . 4.160 3.096 2.777 3.486 . 0 0 "[ . 1 . 2]" 1
1672 1 44 PHE QR 1 65 VAL MG1 . . 4.740 3.410 3.074 3.776 . 0 0 "[ . 1 . 2]" 1
1673 1 34 ARG QH1 1 65 VAL MG1 . . 4.190 4.222 4.199 4.257 0.067 9 0 "[ . 1 . 2]" 1
1674 1 93 VAL HA 1 93 VAL MG1 . . 3.100 2.307 2.207 2.391 . 0 0 "[ . 1 . 2]" 1
1675 1 65 VAL HA 1 65 VAL MG1 . . 2.850 2.343 2.277 2.367 . 0 0 "[ . 1 . 2]" 1
1676 1 62 GLU HA 1 65 VAL MG1 . . 3.600 3.257 2.906 3.572 . 0 0 "[ . 1 . 2]" 1
1677 1 93 VAL MG1 1 107 ILE MD . . 4.370 4.316 4.048 4.389 0.019 14 0 "[ . 1 . 2]" 1
1678 1 35 LYS QE 1 68 ILE MG . . 3.540 2.989 2.862 3.352 . 0 0 "[ . 1 . 2]" 1
1679 1 65 VAL HA 1 65 VAL MG2 . . 3.270 3.195 3.183 3.200 . 0 0 "[ . 1 . 2]" 1
1680 1 68 ILE MG 1 96 THR HB . . 4.120 3.438 2.894 3.988 . 0 0 "[ . 1 . 2]" 1
1681 1 126 LYS HA 1 126 LYS QG . . 3.690 3.425 3.400 3.435 . 0 0 "[ . 1 . 2]" 1
1682 1 72 GLU HG3 1 73 ILE HG13 . . 5.500 5.304 4.802 5.511 0.011 12 0 "[ . 1 . 2]" 1
1683 1 35 LYS HA 1 68 ILE MD . . 5.100 4.556 4.386 4.629 . 0 0 "[ . 1 . 2]" 1
1684 1 11 PRO QG 1 12 LEU HA . . 5.250 4.618 4.448 4.740 . 0 0 "[ . 1 . 2]" 1
1685 1 34 ARG QH1 1 65 VAL MG2 . . 3.570 3.573 3.510 3.612 0.042 9 0 "[ . 1 . 2]" 1
1686 1 34 ARG HA 1 68 ILE MG . . 4.400 3.631 3.436 3.803 . 0 0 "[ . 1 . 2]" 1
1687 1 68 ILE MG 1 96 THR HA . . 3.900 2.958 2.572 3.244 . 0 0 "[ . 1 . 2]" 1
1688 1 69 TYR HA 1 71 VAL MG2 . . 5.500 4.823 4.717 5.012 . 0 0 "[ . 1 . 2]" 1
1689 1 70 LYS HA 1 94 VAL HB . . 5.150 5.015 4.624 5.162 0.012 2 0 "[ . 1 . 2]" 1
1690 1 32 VAL MG1 1 71 VAL HA . . 4.160 3.295 2.986 3.454 . 0 0 "[ . 1 . 2]" 1
1691 1 71 VAL HB 1 107 ILE MG . . 3.910 2.408 2.276 2.590 . 0 0 "[ . 1 . 2]" 1
1692 1 71 VAL MG2 1 107 ILE MD . . 3.490 2.157 1.820 2.592 . 0 0 "[ . 1 . 2]" 1
1693 1 94 VAL MG1 1 95 PHE HA . . 3.720 3.691 3.581 3.739 0.019 4 0 "[ . 1 . 2]" 1
1694 1 71 VAL HA 1 71 VAL MG2 . . 3.390 2.302 2.267 2.340 . 0 0 "[ . 1 . 2]" 1
1695 1 32 VAL HA 1 71 VAL MG2 . . 3.830 2.464 2.270 2.730 . 0 0 "[ . 1 . 2]" 1
1696 1 41 TRP HH2 1 94 VAL MG1 . . 4.730 4.178 3.560 4.743 0.013 9 0 "[ . 1 . 2]" 1
1697 1 32 VAL HA 1 71 VAL MG1 . . 4.030 3.280 2.894 3.563 . 0 0 "[ . 1 . 2]" 1
1698 1 71 VAL HA 1 71 VAL MG1 . . 3.490 2.354 2.270 2.429 . 0 0 "[ . 1 . 2]" 1
1699 1 71 VAL MG1 1 107 ILE MD . . 3.670 3.262 2.801 3.673 0.003 2 0 "[ . 1 . 2]" 1
1700 1 64 PHE HA 1 64 PHE QD . . 4.400 2.477 2.071 3.665 . 0 0 "[ . 1 . 2]" 1
1701 1 31 HIS HB2 1 72 GLU HB2 . . 4.530 4.602 4.508 4.661 0.131 1 0 "[ . 1 . 2]" 1
1702 1 126 LYS QG 1 127 GLU QG . . 4.200 2.447 2.009 2.904 . 0 0 "[ . 1 . 2]" 1
1703 1 126 LYS QE 1 127 GLU QG . . 5.040 3.465 2.335 4.911 . 0 0 "[ . 1 . 2]" 1
1704 1 73 ILE HA 1 73 ILE MD . . 3.840 3.750 3.568 3.836 . 0 0 "[ . 1 . 2]" 1
1705 1 73 ILE MD 1 111 LEU MD1 . . 4.380 3.718 3.369 4.212 . 0 0 "[ . 1 . 2]" 1
1706 1 30 VAL MG2 1 73 ILE HG13 . . 4.290 2.956 2.346 3.278 . 0 0 "[ . 1 . 2]" 1
1707 1 28 VAL HA 1 73 ILE MG . . 4.310 4.295 4.221 4.346 0.036 14 0 "[ . 1 . 2]" 1
1708 1 49 THR MG 1 73 ILE MG . . 4.050 3.737 3.637 3.850 . 0 0 "[ . 1 . 2]" 1
1709 1 73 ILE HB 1 75 THR MG . . 4.050 3.331 2.817 3.740 . 0 0 "[ . 1 . 2]" 1
1710 1 75 THR MG 1 90 HIS HB3 . . 4.550 3.129 1.966 4.525 . 0 0 "[ . 1 . 2]" 1
1711 1 75 THR MG 1 90 HIS HA . . 4.260 2.853 1.914 3.651 . 0 0 "[ . 1 . 2]" 1
1712 1 76 LYS QB 1 76 LYS QD . . 3.090 2.220 2.141 2.305 . 0 0 "[ . 1 . 2]" 1
1713 1 76 LYS QD 1 77 SER HA . . 3.540 2.907 2.786 3.044 . 0 0 "[ . 1 . 2]" 1
1714 1 77 SER HA 1 80 LYS HG2 . . 3.600 2.232 1.951 2.949 . 0 0 "[ . 1 . 2]" 1
1715 1 77 SER HA 1 80 LYS HB2 . . 4.800 4.504 4.194 4.874 0.074 2 0 "[ . 1 . 2]" 1
1716 1 76 LYS HG3 1 77 SER QB . . 4.590 3.559 2.847 4.035 . 0 0 "[ . 1 . 2]" 1
1717 1 79 TRP HA 1 84 ILE MG . . 4.810 4.029 3.819 4.189 . 0 0 "[ . 1 . 2]" 1
1718 1 77 SER HA 1 80 LYS HB3 . . 3.970 3.211 2.934 3.416 . 0 0 "[ . 1 . 2]" 1
1719 1 77 SER QB 1 80 LYS HB3 . . 5.220 4.992 4.657 5.271 0.051 10 0 "[ . 1 . 2]" 1
1720 1 80 LYS HB3 1 80 LYS QD . . 3.520 3.400 3.376 3.456 . 0 0 "[ . 1 . 2]" 1
1721 1 77 SER QB 1 80 LYS QD . . 4.740 4.477 3.814 4.795 0.055 10 0 "[ . 1 . 2]" 1
1722 1 80 LYS QD 1 81 ALA HA . . 4.170 3.184 3.060 3.301 . 0 0 "[ . 1 . 2]" 1
1723 1 80 LYS HG3 1 81 ALA HA . . 4.360 3.480 3.326 3.562 . 0 0 "[ . 1 . 2]" 1
1724 1 81 ALA MB 1 82 LEU HA . . 4.110 3.865 3.807 3.956 . 0 0 "[ . 1 . 2]" 1
1725 1 80 LYS HB3 1 81 ALA MB . . 5.390 5.232 5.104 5.288 . 0 0 "[ . 1 . 2]" 1
1726 1 80 LYS QD 1 81 ALA MB . . 3.900 3.609 3.403 3.886 . 0 0 "[ . 1 . 2]" 1
1727 1 81 ALA MB 1 82 LEU MD2 . . 4.010 2.023 1.950 2.155 . 0 0 "[ . 1 . 2]" 1
1728 1 27 ASN HB2 1 82 LEU MD1 . . 4.880 4.674 4.043 4.906 0.026 17 0 "[ . 1 . 2]" 1
1729 1 81 ALA H 1 82 LEU MD1 . . 4.800 4.775 4.498 4.851 0.051 19 0 "[ . 1 . 2]" 1
1730 1 84 ILE HA 1 84 ILE MD . . 3.440 2.099 1.985 2.238 . 0 0 "[ . 1 . 2]" 1
1731 1 87 MET ME 1 114 TYR HB3 . . 4.440 3.639 1.925 4.459 0.019 11 0 "[ . 1 . 2]" 1
1732 1 87 MET ME 1 114 TYR QE . . 3.970 3.541 1.953 4.011 0.041 14 0 "[ . 1 . 2]" 1
1733 1 93 VAL HB 1 107 ILE MG . . 4.320 2.441 2.297 2.668 . 0 0 "[ . 1 . 2]" 1
1734 1 93 VAL MG2 1 107 ILE MD . . 4.540 4.567 4.377 4.603 0.063 9 0 "[ . 1 . 2]" 1
1735 1 93 VAL HA 1 94 VAL MG2 . . 3.880 3.815 3.746 3.877 . 0 0 "[ . 1 . 2]" 1
1736 1 68 ILE MG 1 95 PHE HA . . 5.050 5.046 4.989 5.077 0.027 18 0 "[ . 1 . 2]" 1
1737 1 110 MET ME 1 110 MET HG2 . . 3.190 2.271 2.218 2.329 . 0 0 "[ . 1 . 2]" 1
1738 1 18 ASP HA 1 110 MET ME . . 4.670 4.674 4.550 4.689 0.019 14 0 "[ . 1 . 2]" 1
1739 1 110 MET HB3 1 111 LEU HA . . 4.800 4.800 4.753 4.825 0.025 20 0 "[ . 1 . 2]" 1
1740 1 111 LEU HA 1 111 LEU MD2 . . 3.590 3.336 3.272 3.407 . 0 0 "[ . 1 . 2]" 1
1741 1 127 GLU HA 1 127 GLU QG . . 3.330 2.643 2.143 3.338 0.008 9 0 "[ . 1 . 2]" 1
1742 1 126 LYS QG 1 127 GLU HA . . 4.400 3.421 3.128 3.898 . 0 0 "[ . 1 . 2]" 1
1743 1 38 ASP HB2 1 40 THR MG . . 4.320 2.745 2.592 3.252 . 0 0 "[ . 1 . 2]" 1
1744 1 46 SER HA 1 58 LEU MD1 . . 4.200 3.554 2.686 3.879 . 0 0 "[ . 1 . 2]" 1
1745 1 16 VAL HB 1 109 ALA MB . . 4.410 4.393 4.324 4.423 0.013 9 0 "[ . 1 . 2]" 1
1746 1 80 LYS QD 1 80 LYS QE . . 2.460 2.068 2.026 2.090 . 0 0 "[ . 1 . 2]" 1
1747 1 13 MET HG3 1 106 THR MG . . 3.840 1.994 1.954 2.140 . 0 0 "[ . 1 . 2]" 1
1748 1 17 LEU HG 1 110 MET HA . . 5.040 2.781 2.718 2.869 . 0 0 "[ . 1 . 2]" 1
1749 1 80 LYS HB3 1 80 LYS QE . . 3.230 3.090 2.898 3.241 0.011 12 0 "[ . 1 . 2]" 1
1750 1 47 GLY HA2 1 48 LYS QE . . 4.480 4.470 4.401 4.508 0.028 17 0 "[ . 1 . 2]" 1
1751 1 13 MET ME 1 54 GLU HA . . 4.310 2.539 2.296 2.729 . 0 0 "[ . 1 . 2]" 1
1752 1 13 MET ME 1 106 THR MG . . 2.970 1.898 1.831 2.016 . 0 0 "[ . 1 . 2]" 1
1753 1 68 ILE HA 1 68 ILE HG13 . . 4.200 3.002 2.674 3.123 . 0 0 "[ . 1 . 2]" 1
1754 1 68 ILE HA 1 68 ILE HG12 . . 4.200 2.686 2.644 2.842 . 0 0 "[ . 1 . 2]" 1
1755 1 93 VAL MG2 1 95 PHE QR . . 4.150 3.781 3.431 4.205 0.055 17 0 "[ . 1 . 2]" 1
1756 1 31 HIS HA 1 33 PHE QE . . 4.360 4.119 4.036 4.261 . 0 0 "[ . 1 . 2]" 1
1757 1 14 VAL MG2 1 32 VAL MG1 . . 4.660 4.132 3.939 4.324 . 0 0 "[ . 1 . 2]" 1
1758 1 32 VAL MG1 1 33 PHE HA . . 4.550 3.808 3.712 3.881 . 0 0 "[ . 1 . 2]" 1
1759 1 44 PHE HB3 1 45 ALA HA . . 5.050 4.868 4.786 4.896 . 0 0 "[ . 1 . 2]" 1
1760 1 47 GLY HA2 1 55 LEU MD2 . . 4.430 3.629 3.247 4.600 0.170 17 0 "[ . 1 . 2]" 1
1761 1 29 ALA HA 1 48 LYS HD3 . . 4.250 4.086 3.934 4.197 . 0 0 "[ . 1 . 2]" 1
1762 1 92 GLU HB2 1 94 VAL MG2 . . 3.640 3.072 2.651 3.434 . 0 0 "[ . 1 . 2]" 1
1763 1 1 GLY QA 1 2 PRO QG . . 4.510 3.731 3.680 3.792 . 0 0 "[ . 1 . 2]" 1
1764 1 1 GLY QA 1 2 PRO QD . . 2.790 2.008 1.976 2.035 . 0 0 "[ . 1 . 2]" 1
1765 1 2 PRO QG 1 3 THR H . . 4.360 3.594 2.919 3.777 . 0 0 "[ . 1 . 2]" 1
1766 1 7 GLU H 1 7 GLU QB . . 3.000 2.721 2.410 3.005 0.005 2 0 "[ . 1 . 2]" 1
1767 1 7 GLU QB 1 7 GLU QG . . 2.290 2.057 1.971 2.086 . 0 0 "[ . 1 . 2]" 1
1768 1 7 GLU QB 1 8 SER H . . 3.800 3.003 1.946 3.823 0.023 20 0 "[ . 1 . 2]" 1
1769 1 7 GLU QB 1 8 SER HA . . 4.830 4.482 3.916 4.810 . 0 0 "[ . 1 . 2]" 1
1770 1 7 GLU QB 1 8 SER QB . . 4.770 4.563 3.821 4.780 0.010 14 0 "[ . 1 . 2]" 1
1771 1 8 SER HA 1 9 LYS QG . . 4.850 4.335 3.631 4.964 0.114 9 0 "[ . 1 . 2]" 1
1772 1 8 SER QB 1 9 LYS QB . . 4.750 4.422 4.153 4.747 . 0 0 "[ . 1 . 2]" 1
1773 1 9 LYS H 1 9 LYS QB . . 3.330 2.690 2.237 3.304 . 0 0 "[ . 1 . 2]" 1
1774 1 9 LYS H 1 9 LYS QG . . 3.390 2.965 1.938 3.543 0.153 14 0 "[ . 1 . 2]" 1
1775 1 9 LYS HA 1 9 LYS QG . . 3.420 2.842 2.254 3.434 0.014 20 0 "[ . 1 . 2]" 1
1776 1 9 LYS QB 1 9 LYS QE . . 3.960 2.911 1.927 3.689 . 0 0 "[ . 1 . 2]" 1
1777 1 9 LYS QB 1 10 CYS H . . 3.490 2.311 1.934 3.497 0.007 8 0 "[ . 1 . 2]" 1
1778 1 9 LYS QB 1 10 CYS QB . . 4.600 3.913 3.395 4.664 0.064 8 0 "[ . 1 . 2]" 1
1779 1 9 LYS QE 1 9 LYS QG . . 2.930 2.363 1.954 2.856 . 0 0 "[ . 1 . 2]" 1
1780 1 9 LYS QG 1 10 CYS H . . 3.990 3.349 1.898 4.035 0.045 17 0 "[ . 1 . 2]" 1
1781 1 11 PRO HD2 1 12 LEU QD . . 5.440 5.477 5.396 5.538 0.098 8 0 "[ . 1 . 2]" 1
1782 1 12 LEU H 1 12 LEU QB . . 3.340 2.564 2.394 2.694 . 0 0 "[ . 1 . 2]" 1
1783 1 12 LEU H 1 12 LEU QD . . 3.870 3.760 3.644 3.920 0.050 8 0 "[ . 1 . 2]" 1
1784 1 12 LEU HA 1 12 LEU QD . . 3.210 2.169 1.923 2.587 . 0 0 "[ . 1 . 2]" 1
1785 1 12 LEU QB 1 12 LEU QD . . 2.730 1.899 1.782 1.994 . 0 0 "[ . 1 . 2]" 1
1786 1 12 LEU QB 1 59 THR MG . . 4.270 2.946 1.862 3.952 . 0 0 "[ . 1 . 2]" 1
1787 1 12 LEU QD 1 13 MET H . . 3.400 2.410 2.282 2.547 . 0 0 "[ . 1 . 2]" 1
1788 1 12 LEU QD 1 13 MET HA . . 3.790 3.287 2.923 3.901 0.111 20 0 "[ . 1 . 2]" 1
1789 1 12 LEU QD 1 13 MET QB . . 4.820 4.190 3.959 4.549 . 0 0 "[ . 1 . 2]" 1
1790 1 12 LEU QD 1 13 MET HG2 . . 4.860 4.621 4.466 4.808 . 0 0 "[ . 1 . 2]" 1
1791 1 12 LEU QD 1 32 VAL HB . . 4.890 4.126 3.703 4.473 . 0 0 "[ . 1 . 2]" 1
1792 1 12 LEU QD 1 32 VAL MG1 . . 3.090 2.569 2.187 2.937 . 0 0 "[ . 1 . 2]" 1
1793 1 12 LEU QD 1 32 VAL MG2 . . 3.300 2.694 2.436 3.040 . 0 0 "[ . 1 . 2]" 1
1794 1 12 LEU QD 1 59 THR HA . . 4.210 3.888 3.145 4.218 0.008 13 0 "[ . 1 . 2]" 1
1795 1 12 LEU QD 1 69 TYR HB3 . . 5.260 3.535 3.025 4.034 . 0 0 "[ . 1 . 2]" 1
1796 1 12 LEU QD 1 69 TYR QR . . 4.740 3.175 2.724 3.787 . 0 0 "[ . 1 . 2]" 1
1797 1 12 LEU QD 1 71 VAL MG2 . . 3.950 3.083 2.637 3.413 . 0 0 "[ . 1 . 2]" 1
1798 1 12 LEU QD 1 105 TYR QB . . 3.710 3.521 2.406 3.733 0.023 17 0 "[ . 1 . 2]" 1
1799 1 12 LEU QD 1 107 ILE H . . 4.170 3.647 3.456 3.833 . 0 0 "[ . 1 . 2]" 1
1800 1 13 MET H 1 105 TYR QB . . 4.720 4.149 3.719 4.639 . 0 0 "[ . 1 . 2]" 1
1801 1 14 VAL HB 1 58 LEU QD . . 3.920 3.446 3.007 3.943 0.023 4 0 "[ . 1 . 2]" 1
1802 1 14 VAL MG2 1 107 ILE QG . . 3.680 3.592 3.311 3.688 0.008 8 0 "[ . 1 . 2]" 1
1803 1 15 LYS QG 1 17 LEU QD . . 3.250 2.818 2.699 2.944 . 0 0 "[ . 1 . 2]" 1
1804 1 15 LYS QD 1 17 LEU QD . . 4.010 3.318 3.214 3.457 . 0 0 "[ . 1 . 2]" 1
1805 1 15 LYS QE 1 17 LEU QD . . 3.260 2.589 2.338 2.822 . 0 0 "[ . 1 . 2]" 1
1806 1 16 VAL H 1 17 LEU QD . . 5.420 4.914 4.743 5.122 . 0 0 "[ . 1 . 2]" 1
1807 1 17 LEU H 1 17 LEU QD . . 4.110 3.213 3.138 3.324 . 0 0 "[ . 1 . 2]" 1
1808 1 17 LEU HA 1 17 LEU QD . . 3.360 3.342 3.264 3.385 0.025 14 0 "[ . 1 . 2]" 1
1809 1 17 LEU HA 1 18 ASP QB . . 4.450 4.286 4.042 4.502 0.052 16 0 "[ . 1 . 2]" 1
1810 1 17 LEU HB2 1 17 LEU QD . . 3.050 1.943 1.917 2.028 . 0 0 "[ . 1 . 2]" 1
1811 1 17 LEU HB3 1 17 LEU QD . . 3.050 1.948 1.933 1.977 . 0 0 "[ . 1 . 2]" 1
1812 1 17 LEU QD 1 18 ASP H . . 3.570 2.946 2.608 3.181 . 0 0 "[ . 1 . 2]" 1
1813 1 17 LEU QD 1 18 ASP QB . . 4.000 3.906 3.788 4.041 0.041 16 0 "[ . 1 . 2]" 1
1814 1 17 LEU QD 1 19 ALA HA . . 3.680 2.681 2.458 2.799 . 0 0 "[ . 1 . 2]" 1
1815 1 17 LEU QD 1 19 ALA MB . . 3.780 3.499 3.350 3.590 . 0 0 "[ . 1 . 2]" 1
1816 1 17 LEU QD 1 20 VAL H . . 4.760 4.605 4.471 4.696 . 0 0 "[ . 1 . 2]" 1
1817 1 17 LEU QD 1 21 ARG H . . 4.730 4.641 4.583 4.720 . 0 0 "[ . 1 . 2]" 1
1818 1 17 LEU QD 1 22 GLY H . . 4.130 3.365 3.243 3.452 . 0 0 "[ . 1 . 2]" 1
1819 1 17 LEU QD 1 22 GLY HA2 . . 3.550 2.273 2.157 2.386 . 0 0 "[ . 1 . 2]" 1
1820 1 17 LEU QD 1 22 GLY HA3 . . 3.940 3.459 3.330 3.595 . 0 0 "[ . 1 . 2]" 1
1821 1 17 LEU QD 1 23 SER H . . 4.200 3.406 3.159 3.522 . 0 0 "[ . 1 . 2]" 1
1822 1 17 LEU QD 1 23 SER HA . . 4.380 3.738 3.605 3.816 . 0 0 "[ . 1 . 2]" 1
1823 1 17 LEU QD 1 24 PRO HA . . 4.240 3.725 3.531 3.886 . 0 0 "[ . 1 . 2]" 1
1824 1 17 LEU QD 1 110 MET HA . . 3.540 3.472 3.420 3.545 0.005 3 0 "[ . 1 . 2]" 1
1825 1 17 LEU QD 1 110 MET HB2 . . 4.810 4.496 4.441 4.550 . 0 0 "[ . 1 . 2]" 1
1826 1 17 LEU QD 1 110 MET HB3 . . 3.750 3.775 3.763 3.791 0.041 17 0 "[ . 1 . 2]" 1
1827 1 17 LEU QD 1 110 MET HG2 . . 3.550 2.287 2.244 2.334 . 0 0 "[ . 1 . 2]" 1
1828 1 17 LEU QD 1 110 MET ME . . 2.770 1.867 1.765 2.004 . 0 0 "[ . 1 . 2]" 1
1829 1 18 ASP QB 1 20 VAL H . . 4.160 2.504 2.352 2.745 . 0 0 "[ . 1 . 2]" 1
1830 1 18 ASP QB 1 20 VAL MG1 . . 4.610 4.328 4.100 4.519 . 0 0 "[ . 1 . 2]" 1
1831 1 18 ASP QB 1 20 VAL MG2 . . 4.060 3.139 2.644 3.748 . 0 0 "[ . 1 . 2]" 1
1832 1 18 ASP QB 1 23 SER H . . 3.980 3.560 3.204 3.999 0.019 20 0 "[ . 1 . 2]" 1
1833 1 20 VAL MG1 1 113 PRO QD . . 4.290 4.239 3.648 4.321 0.031 3 0 "[ . 1 . 2]" 1
1834 1 20 VAL MG2 1 85 SER QB . . 5.010 4.947 4.565 5.083 0.073 3 0 "[ . 1 . 2]" 1
1835 1 20 VAL MG2 1 113 PRO QD . . 3.780 2.568 2.178 2.883 . 0 0 "[ . 1 . 2]" 1
1836 1 21 ARG HB2 1 23 SER QB . . 3.980 3.874 3.839 3.923 . 0 0 "[ . 1 . 2]" 1
1837 1 21 ARG QD 1 23 SER QB . . 4.790 4.385 4.086 4.641 . 0 0 "[ . 1 . 2]" 1
1838 1 23 SER QB 1 24 PRO HG2 . . 4.000 3.632 3.596 3.695 . 0 0 "[ . 1 . 2]" 1
1839 1 23 SER QB 1 24 PRO HG3 . . 4.600 4.377 4.360 4.399 . 0 0 "[ . 1 . 2]" 1
1840 1 26 ILE MD 1 50 SER QB . . 4.300 3.632 3.269 3.859 . 0 0 "[ . 1 . 2]" 1
1841 1 28 VAL MG1 1 78 TYR QB . . 4.230 3.400 2.919 4.157 . 0 0 "[ . 1 . 2]" 1
1842 1 28 VAL MG2 1 78 TYR QB . . 3.700 3.379 3.029 3.768 0.068 17 0 "[ . 1 . 2]" 1
1843 1 29 ALA H 1 74 ASP QB . . 4.070 3.802 3.486 3.967 . 0 0 "[ . 1 . 2]" 1
1844 1 29 ALA HA 1 55 LEU QD . . 5.230 4.738 4.485 5.067 . 0 0 "[ . 1 . 2]" 1
1845 1 29 ALA MB 1 74 ASP QB . . 2.820 2.020 1.844 2.177 . 0 0 "[ . 1 . 2]" 1
1846 1 30 VAL H 1 55 LEU QD . . 4.360 3.810 3.476 4.085 . 0 0 "[ . 1 . 2]" 1
1847 1 30 VAL HB 1 55 LEU QD . . 3.490 2.356 1.963 2.765 . 0 0 "[ . 1 . 2]" 1
1848 1 30 VAL HB 1 58 LEU QD . . 3.890 3.262 2.979 3.480 . 0 0 "[ . 1 . 2]" 1
1849 1 30 VAL MG1 1 72 GLU QG . . 4.730 4.217 3.944 4.713 . 0 0 "[ . 1 . 2]" 1
1850 1 31 HIS H 1 58 LEU QD . . 5.380 5.043 4.761 5.330 . 0 0 "[ . 1 . 2]" 1
1851 1 31 HIS H 1 72 GLU QG . . 4.540 2.605 2.258 3.385 . 0 0 "[ . 1 . 2]" 1
1852 1 31 HIS HA 1 58 LEU QD . . 4.480 3.986 3.583 4.292 . 0 0 "[ . 1 . 2]" 1
1853 1 31 HIS HA 1 72 GLU QG . . 5.340 4.494 4.106 5.368 0.028 20 0 "[ . 1 . 2]" 1
1854 1 31 HIS HB3 1 72 GLU QG . . 4.720 3.918 3.580 4.752 0.032 14 0 "[ . 1 . 2]" 1
1855 1 32 VAL H 1 58 LEU QD . . 3.950 3.568 2.870 3.884 . 0 0 "[ . 1 . 2]" 1
1856 1 32 VAL HB 1 58 LEU QD . . 4.210 3.512 2.903 3.930 . 0 0 "[ . 1 . 2]" 1
1857 1 32 VAL MG2 1 58 LEU QD . . 3.120 1.970 1.740 2.280 . 0 0 "[ . 1 . 2]" 1
1858 1 33 PHE H 1 70 LYS QB . . 4.210 3.608 3.077 4.315 0.105 9 0 "[ . 1 . 2]" 1
1859 1 34 ARG H 1 70 LYS QE . . 4.590 4.220 3.621 4.625 0.035 3 0 "[ . 1 . 2]" 1
1860 1 34 ARG HA 1 35 LYS QB . . 4.960 4.115 4.101 4.135 . 0 0 "[ . 1 . 2]" 1
1861 1 34 ARG QB 1 34 ARG HD3 . . 3.640 2.695 2.667 2.723 . 0 0 "[ . 1 . 2]" 1
1862 1 34 ARG QB 1 35 LYS H . . 3.800 3.528 3.442 3.613 . 0 0 "[ . 1 . 2]" 1
1863 1 34 ARG QB 1 44 PHE H . . 5.180 4.710 4.580 4.764 . 0 0 "[ . 1 . 2]" 1
1864 1 34 ARG QB 1 44 PHE HA . . 4.710 4.056 3.907 4.116 . 0 0 "[ . 1 . 2]" 1
1865 1 34 ARG QB 1 65 VAL MG2 . . 4.030 3.828 3.541 4.034 0.004 11 0 "[ . 1 . 2]" 1
1866 1 34 ARG QB 1 69 TYR HA . . 5.340 3.997 3.870 4.107 . 0 0 "[ . 1 . 2]" 1
1867 1 34 ARG HD2 1 35 LYS QB . . 5.090 5.123 5.095 5.166 0.076 17 0 "[ . 1 . 2]" 1
1868 1 34 ARG HD3 1 35 LYS QB . . 4.900 3.562 3.546 3.604 . 0 0 "[ . 1 . 2]" 1
1869 1 34 ARG QH1 1 35 LYS QB . . 4.330 1.938 1.906 1.959 . 0 0 "[ . 1 . 2]" 1
1870 1 35 LYS H 1 70 LYS QE . . 3.410 2.764 2.270 3.401 . 0 0 "[ . 1 . 2]" 1
1871 1 35 LYS HA 1 70 LYS QE . . 4.240 2.390 2.078 2.764 . 0 0 "[ . 1 . 2]" 1
1872 1 35 LYS QB 1 35 LYS QD . . 3.220 2.728 2.675 2.842 . 0 0 "[ . 1 . 2]" 1
1873 1 35 LYS QB 1 35 LYS QE . . 3.610 1.977 1.958 2.064 . 0 0 "[ . 1 . 2]" 1
1874 1 35 LYS QB 1 36 ALA H . . 4.450 3.893 3.865 3.904 . 0 0 "[ . 1 . 2]" 1
1875 1 35 LYS QB 1 39 ASP HA . . 5.240 4.965 4.867 5.015 . 0 0 "[ . 1 . 2]" 1
1876 1 35 LYS QB 1 68 ILE HB . . 4.190 2.129 2.012 2.197 . 0 0 "[ . 1 . 2]" 1
1877 1 35 LYS QB 1 68 ILE MG . . 3.140 1.846 1.816 1.933 . 0 0 "[ . 1 . 2]" 1
1878 1 35 LYS QB 1 68 ILE MD . . 2.540 2.085 1.981 2.203 . 0 0 "[ . 1 . 2]" 1
1879 1 35 LYS QB 1 70 LYS QE . . 4.170 2.671 2.183 3.284 . 0 0 "[ . 1 . 2]" 1
1880 1 36 ALA MB 1 38 ASP QB . . 4.210 2.994 2.892 3.122 . 0 0 "[ . 1 . 2]" 1
1881 1 37 ALA H 1 38 ASP QB . . 4.470 4.443 4.353 4.470 . 0 0 "[ . 1 . 2]" 1
1882 1 37 ALA MB 1 38 ASP QB . . 4.150 4.089 3.821 4.144 . 0 0 "[ . 1 . 2]" 1
1883 1 38 ASP H 1 38 ASP QB . . 3.090 2.211 2.185 2.228 . 0 0 "[ . 1 . 2]" 1
1884 1 38 ASP QB 1 39 ASP QB . . 4.560 4.358 4.160 4.485 . 0 0 "[ . 1 . 2]" 1
1885 1 38 ASP QB 1 40 THR MG . . 3.590 2.160 1.921 2.245 . 0 0 "[ . 1 . 2]" 1
1886 1 41 TRP HA 1 70 LYS QD . . 4.910 3.844 2.679 4.856 . 0 0 "[ . 1 . 2]" 1
1887 1 41 TRP HA 1 70 LYS QE . . 4.060 3.348 2.449 4.073 0.013 20 0 "[ . 1 . 2]" 1
1888 1 41 TRP HE1 1 70 LYS QD . . 4.880 4.060 2.782 4.886 0.006 18 0 "[ . 1 . 2]" 1
1889 1 44 PHE QR 1 58 LEU QD . . 4.960 3.960 3.709 4.261 . 0 0 "[ . 1 . 2]" 1
1890 1 45 ALA HA 1 58 LEU QD . . 4.530 3.725 3.364 4.307 . 0 0 "[ . 1 . 2]" 1
1891 1 45 ALA MB 1 58 LEU QD . . 2.760 1.966 1.785 2.301 . 0 0 "[ . 1 . 2]" 1
1892 1 46 SER H 1 58 LEU QD . . 3.220 2.278 1.869 3.000 . 0 0 "[ . 1 . 2]" 1
1893 1 46 SER HA 1 58 LEU QD . . 3.620 2.662 2.392 2.890 . 0 0 "[ . 1 . 2]" 1
1894 1 46 SER HB2 1 58 LEU QD . . 4.680 4.333 4.107 4.609 . 0 0 "[ . 1 . 2]" 1
1895 1 46 SER HB3 1 58 LEU QD . . 4.650 4.245 4.012 4.652 0.002 18 0 "[ . 1 . 2]" 1
1896 1 47 GLY H 1 55 LEU QD . . 3.780 3.349 2.980 3.712 . 0 0 "[ . 1 . 2]" 1
1897 1 47 GLY H 1 58 LEU QD . . 3.300 3.090 2.883 3.315 0.015 20 0 "[ . 1 . 2]" 1
1898 1 47 GLY HA2 1 55 LEU QD . . 3.870 3.368 3.133 3.627 . 0 0 "[ . 1 . 2]" 1
1899 1 47 GLY HA2 1 58 LEU QD . . 3.870 3.649 3.399 3.783 . 0 0 "[ . 1 . 2]" 1
1900 1 47 GLY HA3 1 55 LEU QD . . 3.310 2.069 1.862 2.400 . 0 0 "[ . 1 . 2]" 1
1901 1 47 GLY HA3 1 58 LEU QD . . 3.190 2.447 2.177 2.717 . 0 0 "[ . 1 . 2]" 1
1902 1 48 LYS H 1 55 LEU QD . . 2.890 2.134 1.889 2.275 . 0 0 "[ . 1 . 2]" 1
1903 1 48 LYS HA 1 55 LEU QD . . 4.540 2.938 2.775 3.347 . 0 0 "[ . 1 . 2]" 1
1904 1 48 LYS QB 1 55 LEU QD . . 3.920 3.627 3.401 3.817 . 0 0 "[ . 1 . 2]" 1
1905 1 48 LYS QE 1 55 LEU QD . . 5.280 4.960 4.702 5.113 . 0 0 "[ . 1 . 2]" 1
1906 1 49 THR H 1 55 LEU QD . . 3.720 2.919 2.628 3.622 . 0 0 "[ . 1 . 2]" 1
1907 1 49 THR HA 1 50 SER QB . . 4.800 4.104 3.922 4.542 . 0 0 "[ . 1 . 2]" 1
1908 1 49 THR HA 1 55 LEU QD . . 4.230 2.617 1.995 3.095 . 0 0 "[ . 1 . 2]" 1
1909 1 49 THR HB 1 55 LEU QD . . 5.140 4.099 3.537 4.545 . 0 0 "[ . 1 . 2]" 1
1910 1 50 SER QB 1 51 GLU H . . 3.140 2.696 2.144 3.097 . 0 0 "[ . 1 . 2]" 1
1911 1 50 SER QB 1 51 GLU QG . . 4.130 3.465 2.936 3.853 . 0 0 "[ . 1 . 2]" 1
1912 1 52 SER HB3 1 54 GLU QG . . 4.130 2.168 1.912 3.464 . 0 0 "[ . 1 . 2]" 1
1913 1 54 GLU H 1 54 GLU QG . . 3.480 2.251 2.014 2.795 . 0 0 "[ . 1 . 2]" 1
1914 1 54 GLU QG 1 55 LEU H . . 4.680 4.081 3.512 4.406 . 0 0 "[ . 1 . 2]" 1
1915 1 55 LEU H 1 55 LEU QD . . 3.960 3.820 3.530 3.969 0.009 3 0 "[ . 1 . 2]" 1
1916 1 55 LEU HB2 1 58 LEU QD . . 4.760 3.101 2.777 3.404 . 0 0 "[ . 1 . 2]" 1
1917 1 55 LEU HB3 1 58 LEU QD . . 4.640 2.195 1.948 3.167 . 0 0 "[ . 1 . 2]" 1
1918 1 55 LEU QD 1 58 LEU H . . 5.400 3.655 3.223 4.168 . 0 0 "[ . 1 . 2]" 1
1919 1 55 LEU QD 1 58 LEU HB3 . . 5.220 4.318 4.023 4.770 . 0 0 "[ . 1 . 2]" 1
1920 1 55 LEU QD 1 58 LEU HG . . 3.730 2.770 1.915 3.801 0.071 4 0 "[ . 1 . 2]" 1
1921 1 55 LEU QD 1 58 LEU QD . . 2.780 1.721 1.587 1.908 . 0 0 "[ . 1 . 2]" 1
1922 1 57 GLY QA 1 58 LEU HA . . 4.410 4.051 4.016 4.193 . 0 0 "[ . 1 . 2]" 1
1923 1 57 GLY QA 1 59 THR H . . 4.570 3.478 2.956 4.026 . 0 0 "[ . 1 . 2]" 1
1924 1 58 LEU H 1 58 LEU QD . . 3.420 2.757 1.922 3.443 0.023 13 0 "[ . 1 . 2]" 1
1925 1 58 LEU HA 1 58 LEU QD . . 3.300 2.282 1.947 2.825 . 0 0 "[ . 1 . 2]" 1
1926 1 58 LEU HB2 1 58 LEU QD . . 3.040 2.246 2.036 2.362 . 0 0 "[ . 1 . 2]" 1
1927 1 58 LEU HB3 1 58 LEU QD . . 3.010 2.082 2.033 2.228 . 0 0 "[ . 1 . 2]" 1
1928 1 58 LEU QD 1 59 THR H . . 4.550 4.135 3.913 4.328 . 0 0 "[ . 1 . 2]" 1
1929 1 60 THR HB 1 62 GLU QB . . 4.030 3.507 3.036 4.035 0.005 13 0 "[ . 1 . 2]" 1
1930 1 60 THR HB 1 62 GLU QG . . 4.200 4.093 2.044 4.227 0.027 14 0 "[ . 1 . 2]" 1
1931 1 60 THR MG 1 62 GLU QB . . 4.710 4.179 3.971 4.732 0.022 20 0 "[ . 1 . 2]" 1
1932 1 60 THR MG 1 62 GLU QG . . 5.110 4.767 3.049 5.057 . 0 0 "[ . 1 . 2]" 1
1933 1 62 GLU H 1 62 GLU QB . . 2.980 2.202 2.082 2.692 . 0 0 "[ . 1 . 2]" 1
1934 1 62 GLU H 1 62 GLU QG . . 3.700 2.932 1.993 3.497 . 0 0 "[ . 1 . 2]" 1
1935 1 62 GLU HA 1 62 GLU QG . . 3.500 2.577 2.169 3.333 . 0 0 "[ . 1 . 2]" 1
1936 1 62 GLU QB 1 65 VAL MG2 . . 4.360 4.031 3.463 4.373 0.013 20 0 "[ . 1 . 2]" 1
1937 1 62 GLU QG 1 63 GLU H . . 5.040 4.579 2.984 4.863 . 0 0 "[ . 1 . 2]" 1
1938 1 62 GLU QG 1 65 VAL MG1 . . 4.370 4.096 3.791 4.397 0.027 14 0 "[ . 1 . 2]" 1
1939 1 62 GLU QG 1 65 VAL MG2 . . 5.340 5.307 4.748 5.387 0.047 15 0 "[ . 1 . 2]" 1
1940 1 65 VAL HA 1 66 GLU QG . . 4.470 4.083 3.985 4.292 . 0 0 "[ . 1 . 2]" 1
1941 1 65 VAL MG2 1 66 GLU QG . . 4.830 4.545 4.344 4.694 . 0 0 "[ . 1 . 2]" 1
1942 1 65 VAL MG2 1 67 GLY QA . . 3.940 2.918 2.806 3.067 . 0 0 "[ . 1 . 2]" 1
1943 1 66 GLU H 1 66 GLU QG . . 3.460 2.158 1.960 2.448 . 0 0 "[ . 1 . 2]" 1
1944 1 66 GLU HA 1 66 GLU QG . . 3.140 2.528 2.251 2.722 . 0 0 "[ . 1 . 2]" 1
1945 1 66 GLU HA 1 67 GLY QA . . 4.700 4.230 4.225 4.234 . 0 0 "[ . 1 . 2]" 1
1946 1 66 GLU QG 1 67 GLY H . . 4.410 3.998 3.854 4.112 . 0 0 "[ . 1 . 2]" 1
1947 1 66 GLU QG 1 97 ALA MB . . 5.340 4.282 3.716 4.761 . 0 0 "[ . 1 . 2]" 1
1948 1 67 GLY H 1 68 ILE QG . . 4.160 3.443 3.243 3.832 . 0 0 "[ . 1 . 2]" 1
1949 1 67 GLY QA 1 68 ILE H . . 3.040 2.909 2.888 2.920 . 0 0 "[ . 1 . 2]" 1
1950 1 67 GLY QA 1 97 ALA MB . . 5.150 2.239 1.870 2.603 . 0 0 "[ . 1 . 2]" 1
1951 1 68 ILE H 1 68 ILE QG . . 3.270 1.972 1.908 2.197 . 0 0 "[ . 1 . 2]" 1
1952 1 68 ILE HA 1 68 ILE QG . . 3.510 2.499 2.449 2.529 . 0 0 "[ . 1 . 2]" 1
1953 1 68 ILE HB 1 70 LYS QE . . 5.340 4.393 3.567 5.161 . 0 0 "[ . 1 . 2]" 1
1954 1 68 ILE QG 1 68 ILE MG . . 3.230 2.286 2.182 2.332 . 0 0 "[ . 1 . 2]" 1
1955 1 68 ILE MG 1 70 LYS QD . . 4.370 2.904 1.967 3.939 . 0 0 "[ . 1 . 2]" 1
1956 1 68 ILE QG 1 97 ALA HA . . 4.850 4.679 4.247 4.858 0.008 16 0 "[ . 1 . 2]" 1
1957 1 70 LYS H 1 70 LYS QB . . 3.440 2.734 2.434 3.093 . 0 0 "[ . 1 . 2]" 1
1958 1 70 LYS H 1 70 LYS QD . . 3.690 2.626 2.058 3.710 0.020 20 0 "[ . 1 . 2]" 1
1959 1 70 LYS H 1 70 LYS QE . . 3.940 3.579 2.054 4.081 0.141 18 0 "[ . 1 . 2]" 1
1960 1 70 LYS QB 1 70 LYS QE . . 3.840 3.033 2.501 3.732 . 0 0 "[ . 1 . 2]" 1
1961 1 70 LYS QB 1 71 VAL H . . 4.020 3.572 3.553 3.593 . 0 0 "[ . 1 . 2]" 1
1962 1 70 LYS QB 1 94 VAL MG2 . . 3.450 2.426 1.921 2.917 . 0 0 "[ . 1 . 2]" 1
1963 1 70 LYS QD 1 94 VAL MG1 . . 4.570 3.337 2.431 4.047 . 0 0 "[ . 1 . 2]" 1
1964 1 71 VAL H 1 107 ILE QG . . 4.870 4.135 3.584 4.502 . 0 0 "[ . 1 . 2]" 1
1965 1 71 VAL HB 1 107 ILE QG . . 4.240 2.601 2.040 3.036 . 0 0 "[ . 1 . 2]" 1
1966 1 71 VAL MG1 1 72 GLU QG . . 5.230 4.225 3.900 4.847 . 0 0 "[ . 1 . 2]" 1
1967 1 71 VAL MG1 1 107 ILE QG . . 3.270 3.065 2.562 3.293 0.023 20 0 "[ . 1 . 2]" 1
1968 1 71 VAL MG2 1 107 ILE QG . . 2.990 1.977 1.896 2.219 . 0 0 "[ . 1 . 2]" 1
1969 1 72 GLU HA 1 72 GLU QG . . 3.730 3.143 2.771 3.302 . 0 0 "[ . 1 . 2]" 1
1970 1 72 GLU HA 1 92 GLU QG . . 4.880 4.546 2.549 4.888 0.008 7 0 "[ . 1 . 2]" 1
1971 1 73 ILE MG 1 74 ASP QB . . 4.150 3.943 3.868 4.016 . 0 0 "[ . 1 . 2]" 1
1972 1 73 ILE MG 1 90 HIS QB . . 4.700 3.717 2.528 4.759 0.059 14 0 "[ . 1 . 2]" 1
1973 1 74 ASP QB 1 75 THR H . . 4.010 3.859 3.672 4.006 . 0 0 "[ . 1 . 2]" 1
1974 1 75 THR MG 1 90 HIS QB . . 3.940 2.691 1.887 3.678 . 0 0 "[ . 1 . 2]" 1
1975 1 78 TYR H 1 79 TRP QB . . 4.830 4.452 4.190 4.613 . 0 0 "[ . 1 . 2]" 1
1976 1 78 TYR QB 1 79 TRP H . . 3.440 2.774 2.468 2.972 . 0 0 "[ . 1 . 2]" 1
1977 1 78 TYR QB 1 82 LEU MD2 . . 4.800 3.860 3.246 4.299 . 0 0 "[ . 1 . 2]" 1
1978 1 79 TRP H 1 79 TRP QB . . 3.350 2.271 2.070 2.539 . 0 0 "[ . 1 . 2]" 1
1979 1 79 TRP QB 1 80 LYS H . . 4.390 3.105 2.702 3.628 . 0 0 "[ . 1 . 2]" 1
1980 1 79 TRP QB 1 84 ILE HB . . 4.500 2.389 2.080 2.735 . 0 0 "[ . 1 . 2]" 1
1981 1 79 TRP QB 1 84 ILE MG . . 3.890 3.579 3.232 3.908 0.018 13 0 "[ . 1 . 2]" 1
1982 1 84 ILE HA 1 85 SER QB . . 4.730 4.350 4.200 4.465 . 0 0 "[ . 1 . 2]" 1
1983 1 84 ILE MG 1 85 SER QB . . 4.300 2.924 2.782 3.025 . 0 0 "[ . 1 . 2]" 1
1984 1 85 SER H 1 85 SER QB . . 3.220 2.193 2.059 2.330 . 0 0 "[ . 1 . 2]" 1
1985 1 87 MET ME 1 114 TYR QB . . 3.730 2.877 1.889 3.749 0.019 13 0 "[ . 1 . 2]" 1
1986 1 92 GLU H 1 92 GLU QG . . 4.130 2.250 1.915 2.669 . 0 0 "[ . 1 . 2]" 1
1987 1 92 GLU HA 1 92 GLU QG . . 3.680 3.331 2.730 3.445 . 0 0 "[ . 1 . 2]" 1
1988 1 93 VAL HB 1 107 ILE QG . . 4.210 2.960 2.675 3.133 . 0 0 "[ . 1 . 2]" 1
1989 1 93 VAL MG1 1 95 PHE QB . . 4.910 3.603 3.385 3.851 . 0 0 "[ . 1 . 2]" 1
1990 1 93 VAL MG2 1 107 ILE QG . . 3.510 3.304 3.049 3.376 . 0 0 "[ . 1 . 2]" 1
1991 1 95 PHE QB 1 96 THR H . . 3.410 2.870 2.607 3.385 . 0 0 "[ . 1 . 2]" 1
1992 1 96 THR MG 1 99 ASP QB . . 3.140 2.114 1.882 2.449 . 0 0 "[ . 1 . 2]" 1
1993 1 97 ALA HA 1 99 ASP QB . . 5.030 4.267 3.916 5.045 0.015 9 0 "[ . 1 . 2]" 1
1994 1 107 ILE H 1 107 ILE QG . . 3.810 3.102 3.019 3.186 . 0 0 "[ . 1 . 2]" 1
1995 1 107 ILE HA 1 107 ILE QG . . 3.530 2.248 2.183 2.297 . 0 0 "[ . 1 . 2]" 1
1996 1 107 ILE QG 1 107 ILE MG . . 3.130 1.933 1.912 1.979 . 0 0 "[ . 1 . 2]" 1
1997 1 107 ILE QG 1 108 ALA H . . 4.860 4.193 4.074 4.268 . 0 0 "[ . 1 . 2]" 1
1998 1 112 SER QB 1 113 PRO QD . . 4.210 2.042 1.944 2.506 . 0 0 "[ . 1 . 2]" 1
1999 1 126 LYS QG 1 127 GLU QB . . 4.580 3.331 2.428 4.218 . 0 0 "[ . 1 . 2]" 1
2000 1 126 LYS QD 1 127 GLU QB . . 4.240 3.071 2.714 3.566 . 0 0 "[ . 1 . 2]" 1
2001 1 127 GLU H 1 127 GLU QB . . 3.150 2.500 2.204 3.127 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 939
_Distance_constraint_stats_list.Viol_total 2847.862
_Distance_constraint_stats_list.Viol_max 0.428
_Distance_constraint_stats_list.Viol_rms 0.1029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1424
_Distance_constraint_stats_list.Viol_average_violations_only 0.1516
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 13 MET 9.379 0.290 13 0 "[ . 1 . 2]"
1 15 LYS 9.546 0.211 10 0 "[ . 1 . 2]"
1 16 VAL 8.801 0.308 15 0 "[ . 1 . 2]"
1 17 LEU 19.775 0.322 17 0 "[ . 1 . 2]"
1 18 ASP 3.711 0.205 16 0 "[ . 1 . 2]"
1 22 GLY 2.907 0.205 16 0 "[ . 1 . 2]"
1 23 SER 0.804 0.111 12 0 "[ . 1 . 2]"
1 25 ALA 8.801 0.308 15 0 "[ . 1 . 2]"
1 28 VAL 14.929 0.428 17 0 "[ . 1 . 2]"
1 29 ALA 10.268 0.318 20 0 "[ . 1 . 2]"
1 30 VAL 7.681 0.212 17 0 "[ . 1 . 2]"
1 31 HIS 5.469 0.189 6 0 "[ . 1 . 2]"
1 32 VAL 14.617 0.283 6 0 "[ . 1 . 2]"
1 33 PHE 6.035 0.234 18 0 "[ . 1 . 2]"
1 34 ARG 10.923 0.322 18 0 "[ . 1 . 2]"
1 36 ALA 7.342 0.211 17 0 "[ . 1 . 2]"
1 39 ASP 5.664 0.211 17 0 "[ . 1 . 2]"
1 40 THR 1.678 0.196 18 0 "[ . 1 . 2]"
1 42 GLU 10.923 0.322 18 0 "[ . 1 . 2]"
1 44 PHE 4.478 0.162 7 0 "[ . 1 . 2]"
1 45 ALA 10.139 0.283 6 0 "[ . 1 . 2]"
1 47 GLY 7.681 0.212 17 0 "[ . 1 . 2]"
1 49 THR 14.929 0.428 17 0 "[ . 1 . 2]"
1 50 SER 11.451 0.315 20 0 "[ . 1 . 2]"
1 53 GLY 11.451 0.315 20 0 "[ . 1 . 2]"
1 70 LYS 6.035 0.234 18 0 "[ . 1 . 2]"
1 72 GLU 5.469 0.189 6 0 "[ . 1 . 2]"
1 74 ASP 10.268 0.318 20 0 "[ . 1 . 2]"
1 79 TRP 2.466 0.238 13 0 "[ . 1 . 2]"
1 84 ILE 2.466 0.238 13 0 "[ . 1 . 2]"
1 107 ILE 13.025 0.290 13 0 "[ . 1 . 2]"
1 109 ALA 17.068 0.322 17 0 "[ . 1 . 2]"
1 111 LEU 8.606 0.278 3 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 15 LYS H 1 107 ILE O . . 1.800 1.935 1.904 2.006 0.206 15 0 "[ . 1 . 2]" 2
2 1 15 LYS N 1 107 ILE O . . 2.700 2.747 2.734 2.819 0.119 16 0 "[ . 1 . 2]" 2
3 1 17 LEU H 1 109 ALA O . . 1.800 2.051 2.037 2.063 0.263 19 0 "[ . 1 . 2]" 2
4 1 17 LEU N 1 109 ALA O . . 2.700 3.007 2.996 3.022 0.322 17 0 "[ . 1 . 2]" 2
5 1 18 ASP H 1 23 SER O . . 1.800 1.832 1.754 1.911 0.111 12 0 "[ . 1 . 2]" 2
6 1 18 ASP N 1 23 SER O . . 2.700 2.698 2.680 2.711 0.011 1 0 "[ . 1 . 2]" 2
7 1 18 ASP O 1 22 GLY H . . 1.800 1.920 1.813 2.005 0.205 16 0 "[ . 1 . 2]" 2
8 1 18 ASP O 1 22 GLY N . . 2.700 2.725 2.691 2.743 0.043 11 0 "[ . 1 . 2]" 2
9 1 16 VAL O 1 25 ALA H . . 1.800 1.983 1.865 2.029 0.229 15 0 "[ . 1 . 2]" 2
10 1 16 VAL O 1 25 ALA N . . 2.700 2.957 2.841 3.008 0.308 15 0 "[ . 1 . 2]" 2
11 1 30 VAL H 1 47 GLY O . . 1.800 1.870 1.809 2.012 0.212 17 0 "[ . 1 . 2]" 2
12 1 30 VAL N 1 47 GLY O . . 2.700 2.766 2.735 2.901 0.201 17 0 "[ . 1 . 2]" 2
13 1 31 HIS H 1 72 GLU O . . 1.800 1.881 1.796 1.939 0.139 6 0 "[ . 1 . 2]" 2
14 1 31 HIS N 1 72 GLU O . . 2.700 2.835 2.759 2.889 0.189 6 0 "[ . 1 . 2]" 2
15 1 32 VAL H 1 45 ALA O . . 1.800 1.836 1.799 1.899 0.099 20 0 "[ . 1 . 2]" 2
16 1 32 VAL N 1 45 ALA O . . 2.700 2.730 2.714 2.738 0.038 6 0 "[ . 1 . 2]" 2
17 1 33 PHE H 1 70 LYS O . . 1.800 1.963 1.887 2.034 0.234 18 0 "[ . 1 . 2]" 2
18 1 33 PHE N 1 70 LYS O . . 2.700 2.764 2.722 2.883 0.183 18 0 "[ . 1 . 2]" 2
19 1 34 ARG H 1 42 GLU O . . 1.800 1.888 1.822 1.933 0.133 12 0 "[ . 1 . 2]" 2
20 1 34 ARG N 1 42 GLU O . . 2.700 2.795 2.737 2.840 0.140 12 0 "[ . 1 . 2]" 2
21 1 36 ALA H 1 40 THR O . . 1.800 1.804 1.784 1.934 0.134 18 0 "[ . 1 . 2]" 2
22 1 36 ALA N 1 40 THR O . . 2.700 2.775 2.760 2.896 0.196 18 0 "[ . 1 . 2]" 2
23 1 36 ALA O 1 39 ASP H . . 1.800 1.973 1.940 2.011 0.211 17 0 "[ . 1 . 2]" 2
24 1 36 ALA O 1 39 ASP N . . 2.700 2.811 2.771 2.848 0.148 16 0 "[ . 1 . 2]" 2
25 1 34 ARG O 1 42 GLU H . . 1.800 1.948 1.810 2.069 0.269 18 0 "[ . 1 . 2]" 2
26 1 34 ARG O 1 42 GLU N . . 2.700 2.915 2.780 3.022 0.322 18 0 "[ . 1 . 2]" 2
27 1 32 VAL O 1 44 PHE H . . 1.800 1.919 1.863 1.962 0.162 7 0 "[ . 1 . 2]" 2
28 1 32 VAL O 1 44 PHE N . . 2.700 2.805 2.749 2.847 0.147 6 0 "[ . 1 . 2]" 2
29 1 32 VAL O 1 45 ALA H . . 1.800 2.000 1.919 2.028 0.228 16 0 "[ . 1 . 2]" 2
30 1 32 VAL O 1 45 ALA N . . 2.700 2.940 2.846 2.983 0.283 6 0 "[ . 1 . 2]" 2
31 1 30 VAL O 1 47 GLY H . . 1.800 1.915 1.824 1.991 0.191 2 0 "[ . 1 . 2]" 2
32 1 30 VAL O 1 47 GLY N . . 2.700 2.833 2.771 2.885 0.185 6 0 "[ . 1 . 2]" 2
33 1 28 VAL O 1 49 THR H . . 1.800 2.158 2.125 2.205 0.405 17 0 "[ . 1 . 2]" 2
34 1 28 VAL O 1 49 THR N . . 2.700 3.088 3.057 3.128 0.428 17 0 "[ . 1 . 2]" 2
35 1 50 SER O 1 53 GLY H . . 1.800 2.068 2.056 2.080 0.280 7 0 "[ . 1 . 2]" 2
36 1 50 SER O 1 53 GLY N . . 2.700 3.005 2.991 3.015 0.315 20 0 "[ . 1 . 2]" 2
37 1 33 PHE O 1 70 LYS H . . 1.800 1.805 1.783 1.922 0.122 18 0 "[ . 1 . 2]" 2
38 1 33 PHE O 1 70 LYS N . . 2.700 2.764 2.741 2.867 0.167 18 0 "[ . 1 . 2]" 2
39 1 31 HIS O 1 72 GLU H . . 1.800 1.814 1.784 1.874 0.074 5 0 "[ . 1 . 2]" 2
40 1 31 HIS O 1 72 GLU N . . 2.700 2.740 2.715 2.771 0.071 6 0 "[ . 1 . 2]" 2
41 1 29 ALA O 1 74 ASP H . . 1.800 2.026 1.949 2.062 0.262 20 0 "[ . 1 . 2]" 2
42 1 29 ALA O 1 74 ASP N . . 2.700 2.987 2.912 3.018 0.318 20 0 "[ . 1 . 2]" 2
43 1 79 TRP O 1 84 ILE H . . 1.800 1.881 1.796 2.038 0.238 13 0 "[ . 1 . 2]" 2
44 1 79 TRP O 1 84 ILE N . . 2.700 2.742 2.707 2.832 0.132 13 0 "[ . 1 . 2]" 2
45 1 13 MET O 1 107 ILE H . . 1.800 2.004 1.943 2.036 0.236 18 0 "[ . 1 . 2]" 2
46 1 13 MET O 1 107 ILE N . . 2.700 2.965 2.901 2.990 0.290 13 0 "[ . 1 . 2]" 2
47 1 15 LYS O 1 109 ALA H . . 1.800 1.949 1.846 2.011 0.211 10 0 "[ . 1 . 2]" 2
48 1 15 LYS O 1 109 ALA N . . 2.700 2.846 2.759 2.901 0.201 14 0 "[ . 1 . 2]" 2
49 1 17 LEU O 1 111 LEU H . . 1.800 1.993 1.895 2.035 0.235 3 0 "[ . 1 . 2]" 2
50 1 17 LEU O 1 111 LEU N . . 2.700 2.938 2.843 2.978 0.278 3 0 "[ . 1 . 2]" 2
stop_
save_
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