NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
583621 |
2mje   |
19718 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mje
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 1467
_Distance_constraint_stats_list.Viol_count 3955
_Distance_constraint_stats_list.Viol_total 3633.403
_Distance_constraint_stats_list.Viol_max 1.124
_Distance_constraint_stats_list.Viol_rms 0.0259
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0484
_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 4 LEU 1.208 0.067 17 0 "[ . 1 . ]"
1 5 LYS 2.392 0.101 19 0 "[ . 1 . ]"
1 6 ILE 11.876 0.241 6 0 "[ . 1 . ]"
1 7 THR 3.526 0.111 8 0 "[ . 1 . ]"
1 8 PHE 19.807 1.124 4 1 "[ +. 1 . ]"
1 9 ILE 5.896 0.435 8 0 "[ . 1 . ]"
1 10 LEU 1.920 0.143 4 0 "[ . 1 . ]"
1 11 LYS 1.605 0.088 10 0 "[ . 1 . ]"
1 12 ASP 0.306 0.050 17 0 "[ . 1 . ]"
1 13 GLY 0.347 0.052 10 0 "[ . 1 . ]"
1 14 SER 2.216 0.130 3 0 "[ . 1 . ]"
1 15 GLN 8.433 0.154 18 0 "[ . 1 . ]"
1 16 LYS 10.974 0.186 14 0 "[ . 1 . ]"
1 17 THR 6.616 0.186 14 0 "[ . 1 . ]"
1 18 TYR 5.964 0.101 19 0 "[ . 1 . ]"
1 20 VAL 2.661 0.080 8 0 "[ . 1 . ]"
1 21 CYS 1.610 0.080 8 0 "[ . 1 . ]"
1 22 GLU 3.104 0.124 15 0 "[ . 1 . ]"
1 23 GLY 1.187 0.115 4 0 "[ . 1 . ]"
1 24 GLU 0.703 0.062 16 0 "[ . 1 . ]"
1 25 THR 3.057 0.091 14 0 "[ . 1 . ]"
1 26 ILE 7.229 1.124 4 1 "[ +. 1 . ]"
1 28 ASP 2.535 0.091 14 0 "[ . 1 . ]"
1 29 ILE 9.724 0.134 15 0 "[ . 1 . ]"
1 30 ALA 1.779 0.104 15 0 "[ . 1 . ]"
1 31 GLN 4.816 0.182 10 0 "[ . 1 . ]"
1 32 GLY 1.616 0.113 13 0 "[ . 1 . ]"
1 33 HIS 7.434 0.159 9 0 "[ . 1 . ]"
1 34 ASN 4.155 0.135 3 0 "[ . 1 . ]"
1 35 LEU 11.344 0.241 6 0 "[ . 1 . ]"
1 36 ASP 1.269 0.060 12 0 "[ . 1 . ]"
1 37 MET 3.435 0.121 10 0 "[ . 1 . ]"
1 52 VAL 3.870 0.094 14 0 "[ . 1 . ]"
1 53 ILE 11.940 0.224 8 0 "[ . 1 . ]"
1 54 VAL 16.978 0.167 3 0 "[ . 1 . ]"
1 55 ASP 7.750 0.170 1 0 "[ . 1 . ]"
1 57 ASP 1.956 0.085 16 0 "[ . 1 . ]"
1 58 TYR 9.222 0.212 18 0 "[ . 1 . ]"
1 59 TYR 18.689 0.278 18 0 "[ . 1 . ]"
1 60 ASP 6.641 0.278 18 0 "[ . 1 . ]"
1 61 ALA 3.457 0.172 15 0 "[ . 1 . ]"
1 62 LEU 5.954 0.165 17 0 "[ . 1 . ]"
1 63 PRO 1.030 0.063 17 0 "[ . 1 . ]"
1 64 GLU 0.883 0.070 7 0 "[ . 1 . ]"
1 65 PRO 2.918 0.401 8 0 "[ . 1 . ]"
1 66 GLU 0.869 0.071 1 0 "[ . 1 . ]"
1 67 ASP 0.262 0.085 8 0 "[ . 1 . ]"
1 68 ASP 2.289 0.104 17 0 "[ . 1 . ]"
1 69 GLU 1.807 0.089 8 0 "[ . 1 . ]"
1 70 ASN 2.944 0.096 19 0 "[ . 1 . ]"
1 71 ASP 2.200 0.091 1 0 "[ . 1 . ]"
1 72 MET 1.366 0.104 17 0 "[ . 1 . ]"
1 73 LEU 3.724 0.401 8 0 "[ . 1 . ]"
1 74 ASP 4.071 0.117 15 0 "[ . 1 . ]"
1 75 LEU 2.093 0.088 15 0 "[ . 1 . ]"
1 76 ALA 0.930 0.057 6 0 "[ . 1 . ]"
1 77 TYR 1.807 0.112 19 0 "[ . 1 . ]"
1 78 GLY 2.041 0.112 19 0 "[ . 1 . ]"
1 79 LEU 7.060 0.117 15 0 "[ . 1 . ]"
1 80 THR 1.433 0.117 2 0 "[ . 1 . ]"
1 81 GLU 1.421 0.117 2 0 "[ . 1 . ]"
1 82 THR 8.981 0.129 8 0 "[ . 1 . ]"
1 83 SER 6.518 0.137 5 0 "[ . 1 . ]"
1 84 ARG 5.892 0.224 8 0 "[ . 1 . ]"
1 85 LEU 1.179 0.156 10 0 "[ . 1 . ]"
1 89 ILE 3.670 0.130 3 0 "[ . 1 . ]"
1 90 LYS 4.509 0.115 4 0 "[ . 1 . ]"
1 91 MET 1.655 0.099 4 0 "[ . 1 . ]"
1 92 SER 0.699 0.075 4 0 "[ . 1 . ]"
1 93 LYS 1.555 0.087 11 0 "[ . 1 . ]"
1 94 ASP 1.433 0.074 4 0 "[ . 1 . ]"
1 95 ILE 6.314 0.127 3 0 "[ . 1 . ]"
1 96 ASP 1.568 0.129 7 0 "[ . 1 . ]"
1 97 GLY 3.093 0.127 3 0 "[ . 1 . ]"
1 98 ILE 1.329 0.087 8 0 "[ . 1 . ]"
1 99 ARG 9.496 0.435 8 0 "[ . 1 . ]"
1 100 VAL 10.719 0.300 18 0 "[ . 1 . ]"
1 101 ALA 6.459 0.170 10 0 "[ . 1 . ]"
1 102 LEU 4.615 0.395 1 0 "[ . 1 . ]"
1 113 ASP 2.016 0.309 11 0 "[ . 1 . ]"
1 114 PHE 2.016 0.309 11 0 "[ . 1 . ]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LEU H 1 20 VAL H . . 3.990 3.391 3.058 3.912 . 0 0 "[ . 1 . ]" 1
2 1 4 LEU H 1 20 VAL MG2 . . 4.760 3.810 3.443 4.573 . 0 0 "[ . 1 . ]" 1
3 1 4 LEU H 1 21 CYS HA . . 5.170 3.408 2.912 4.494 . 0 0 "[ . 1 . ]" 1
4 1 4 LEU H 1 4 LEU HB2 . . 3.800 2.653 2.527 2.826 . 0 0 "[ . 1 . ]" 1
5 1 4 LEU H 1 4 LEU HG . . 3.780 2.922 2.588 3.343 . 0 0 "[ . 1 . ]" 1
6 1 4 LEU H 1 4 LEU MD1 . . 4.750 3.948 3.736 4.256 . 0 0 "[ . 1 . ]" 1
7 1 4 LEU H 1 4 LEU MD2 . . 4.930 3.886 3.512 4.219 . 0 0 "[ . 1 . ]" 1
8 1 4 LEU HA 1 20 VAL MG2 . . 5.600 4.602 4.438 4.909 . 0 0 "[ . 1 . ]" 1
9 1 4 LEU HA 1 4 LEU MD2 . . 3.570 2.329 2.224 2.444 . 0 0 "[ . 1 . ]" 1
10 1 4 LEU HA 1 5 LYS H . . 3.320 2.504 2.334 2.685 . 0 0 "[ . 1 . ]" 1
11 1 4 LEU HA 1 97 GLY H . . 5.170 5.102 4.871 5.220 0.050 4 0 "[ . 1 . ]" 1
12 1 4 LEU HB2 1 20 VAL MG2 . . 3.570 2.497 2.346 2.852 . 0 0 "[ . 1 . ]" 1
13 1 4 LEU HB2 1 21 CYS HA . . 4.320 3.724 2.886 4.298 . 0 0 "[ . 1 . ]" 1
14 1 4 LEU HB2 1 22 GLU H . . 5.500 4.726 4.280 4.991 . 0 0 "[ . 1 . ]" 1
15 1 4 LEU HB2 1 22 GLU HA . . 5.500 4.771 4.336 5.012 . 0 0 "[ . 1 . ]" 1
16 1 4 LEU HB3 1 20 VAL H . . 5.500 4.882 4.620 5.204 . 0 0 "[ . 1 . ]" 1
17 1 4 LEU HB3 1 4 LEU MD1 . . 3.360 2.471 2.385 2.570 . 0 0 "[ . 1 . ]" 1
18 1 4 LEU HB3 1 5 LYS H . . 3.560 2.475 2.245 2.944 . 0 0 "[ . 1 . ]" 1
19 1 4 LEU HB3 1 96 ASP HA . . 4.700 3.614 3.066 4.534 . 0 0 "[ . 1 . ]" 1
20 1 4 LEU HB3 1 97 GLY H . . 5.360 4.529 4.126 4.969 . 0 0 "[ . 1 . ]" 1
21 1 4 LEU HG 1 22 GLU H . . 4.280 3.941 3.517 4.307 0.027 17 0 "[ . 1 . ]" 1
22 1 4 LEU MD1 1 20 VAL H . . 5.500 5.397 5.150 5.544 0.044 18 0 "[ . 1 . ]" 1
23 1 4 LEU MD1 1 21 CYS HA . . 4.330 3.445 2.892 4.013 . 0 0 "[ . 1 . ]" 1
24 1 4 LEU MD1 1 22 GLU H . . 4.550 3.016 2.647 3.409 . 0 0 "[ . 1 . ]" 1
25 1 4 LEU MD1 1 22 GLU HA . . 3.680 2.414 2.252 2.665 . 0 0 "[ . 1 . ]" 1
26 1 4 LEU MD1 1 22 GLU HG2 . . 4.190 4.015 3.509 4.257 0.067 17 0 "[ . 1 . ]" 1
27 1 4 LEU MD1 1 22 GLU QB . . 3.750 2.371 1.943 2.602 . 0 0 "[ . 1 . ]" 1
28 1 4 LEU MD1 1 23 GLY H . . 4.860 4.160 3.981 4.398 . 0 0 "[ . 1 . ]" 1
29 1 4 LEU MD1 1 24 GLU H . . 5.500 4.893 4.717 5.136 . 0 0 "[ . 1 . ]" 1
30 1 4 LEU MD1 1 91 MET H . . 5.210 4.937 4.652 5.185 . 0 0 "[ . 1 . ]" 1
31 1 4 LEU MD1 1 91 MET HA . . 4.620 3.683 3.257 4.050 . 0 0 "[ . 1 . ]" 1
32 1 4 LEU MD1 1 91 MET HG2 . . 5.020 4.514 4.356 4.727 . 0 0 "[ . 1 . ]" 1
33 1 4 LEU MD1 1 91 MET QB . . 4.360 2.095 1.926 2.266 . 0 0 "[ . 1 . ]" 1
34 1 4 LEU MD1 1 92 SER H . . 4.420 3.023 2.507 3.499 . 0 0 "[ . 1 . ]" 1
35 1 4 LEU MD1 1 92 SER HA . . 4.250 3.370 2.875 3.925 . 0 0 "[ . 1 . ]" 1
36 1 4 LEU MD1 1 93 LYS H . . 4.920 4.293 3.781 4.756 . 0 0 "[ . 1 . ]" 1
37 1 4 LEU MD1 1 93 LYS HA . . 4.780 3.671 3.210 4.135 . 0 0 "[ . 1 . ]" 1
38 1 4 LEU MD1 1 94 ASP H . . 5.500 5.227 4.852 5.510 0.010 19 0 "[ . 1 . ]" 1
39 1 4 LEU MD1 1 95 ILE H . . 5.500 4.351 4.075 4.871 . 0 0 "[ . 1 . ]" 1
40 1 4 LEU MD1 1 95 ILE HG12 . . 3.870 2.759 2.299 3.900 0.030 5 0 "[ . 1 . ]" 1
41 1 4 LEU MD2 1 22 GLU H . . 5.500 5.004 4.649 5.504 0.004 17 0 "[ . 1 . ]" 1
42 1 4 LEU MD2 1 22 GLU HA . . 5.450 4.896 4.717 5.243 . 0 0 "[ . 1 . ]" 1
43 1 4 LEU MD2 1 22 GLU QB . . 4.030 4.035 3.765 4.068 0.038 13 0 "[ . 1 . ]" 1
44 1 4 LEU MD2 1 93 LYS H . . 5.440 4.653 4.205 5.312 . 0 0 "[ . 1 . ]" 1
45 1 4 LEU MD2 1 93 LYS HA . . 3.440 2.842 2.380 3.453 0.013 7 0 "[ . 1 . ]" 1
46 1 4 LEU MD2 1 95 ILE H . . 5.500 4.086 3.702 4.480 . 0 0 "[ . 1 . ]" 1
47 1 4 LEU MD2 1 96 ASP H . . 4.790 3.804 3.523 4.218 . 0 0 "[ . 1 . ]" 1
48 1 4 LEU MD2 1 96 ASP HA . . 4.450 2.929 2.590 3.237 . 0 0 "[ . 1 . ]" 1
49 1 4 LEU MD2 1 96 ASP HB2 . . 4.490 2.722 2.288 3.924 . 0 0 "[ . 1 . ]" 1
50 1 4 LEU MD2 1 96 ASP HB3 . . 4.120 4.036 3.537 4.161 0.041 2 0 "[ . 1 . ]" 1
51 1 4 LEU MD2 1 97 GLY H . . 4.910 4.557 4.156 4.933 0.023 12 0 "[ . 1 . ]" 1
52 1 5 LYS H 1 5 LYS HG3 . . 3.440 3.246 2.459 3.471 0.031 16 0 "[ . 1 . ]" 1
53 1 5 LYS H 1 96 ASP HA . . 4.080 3.427 2.773 4.116 0.036 7 0 "[ . 1 . ]" 1
54 1 5 LYS H 1 97 GLY H . . 4.570 3.494 3.234 3.816 . 0 0 "[ . 1 . ]" 1
55 1 5 LYS HA 1 18 TYR H . . 5.040 4.608 4.382 4.749 . 0 0 "[ . 1 . ]" 1
56 1 5 LYS HA 1 18 TYR HB3 . . 5.500 5.557 5.520 5.601 0.101 19 0 "[ . 1 . ]" 1
57 1 5 LYS HA 1 20 VAL H . . 4.430 2.803 2.461 3.276 . 0 0 "[ . 1 . ]" 1
58 1 5 LYS HA 1 20 VAL MG1 . . 5.500 3.866 3.599 4.399 . 0 0 "[ . 1 . ]" 1
59 1 5 LYS HA 1 20 VAL MG2 . . 4.860 2.570 2.199 3.083 . 0 0 "[ . 1 . ]" 1
60 1 5 LYS HA 1 5 LYS HG3 . . 4.020 3.695 3.612 3.792 . 0 0 "[ . 1 . ]" 1
61 1 5 LYS HA 1 5 LYS QD . . 4.090 3.983 2.819 4.163 0.073 13 0 "[ . 1 . ]" 1
62 1 5 LYS HA 1 6 ILE H . . 3.000 2.218 2.140 2.364 . 0 0 "[ . 1 . ]" 1
63 1 5 LYS HA 1 6 ILE MG . . 4.620 3.180 3.013 3.598 . 0 0 "[ . 1 . ]" 1
64 1 5 LYS HG2 1 96 ASP HA . . 5.500 4.815 4.104 5.537 0.037 3 0 "[ . 1 . ]" 1
65 1 5 LYS HG2 1 97 GLY H . . 5.500 4.089 3.501 5.161 . 0 0 "[ . 1 . ]" 1
66 1 5 LYS QD 1 5 LYS HG3 . . 2.400 2.375 2.214 2.432 0.032 13 0 "[ . 1 . ]" 1
67 1 5 LYS HG3 1 97 GLY H . . 5.500 3.716 3.013 4.304 . 0 0 "[ . 1 . ]" 1
68 1 5 LYS HG3 1 97 GLY HA2 . . 3.410 2.594 2.165 3.193 . 0 0 "[ . 1 . ]" 1
69 1 5 LYS QB 1 6 ILE H . . 4.100 2.493 2.367 2.740 . 0 0 "[ . 1 . ]" 1
70 1 5 LYS QD 1 6 ILE H . . 4.080 3.849 2.870 4.112 0.032 15 0 "[ . 1 . ]" 1
71 1 5 LYS QE 1 7 THR HB . . 5.270 5.008 3.929 5.325 0.055 4 0 "[ . 1 . ]" 1
72 1 5 LYS QE 1 97 GLY HA2 . . 4.970 2.378 1.962 3.055 . 0 0 "[ . 1 . ]" 1
73 1 5 LYS QE 1 97 GLY HA3 . . 4.070 3.558 3.092 4.112 0.042 18 0 "[ . 1 . ]" 1
74 1 6 ILE H 1 18 TYR H . . 3.830 2.894 2.701 3.059 . 0 0 "[ . 1 . ]" 1
75 1 6 ILE H 1 18 TYR HB3 . . 5.160 4.754 4.616 4.861 . 0 0 "[ . 1 . ]" 1
76 1 6 ILE H 1 20 VAL H . . 5.050 4.489 4.267 4.760 . 0 0 "[ . 1 . ]" 1
77 1 6 ILE H 1 20 VAL MG1 . . 5.020 3.868 3.582 4.416 . 0 0 "[ . 1 . ]" 1
78 1 6 ILE H 1 20 VAL MG2 . . 4.930 3.303 2.940 3.646 . 0 0 "[ . 1 . ]" 1
79 1 6 ILE H 1 29 ILE MD . . 5.480 5.142 4.933 5.441 . 0 0 "[ . 1 . ]" 1
80 1 6 ILE H 1 6 ILE HB . . 3.940 3.409 3.322 3.613 . 0 0 "[ . 1 . ]" 1
81 1 6 ILE H 1 6 ILE HG13 . . 5.500 4.795 4.735 4.893 . 0 0 "[ . 1 . ]" 1
82 1 6 ILE H 1 6 ILE MD . . 5.500 4.812 4.731 5.002 . 0 0 "[ . 1 . ]" 1
83 1 6 ILE H 1 6 ILE MG . . 3.470 2.195 2.111 2.478 . 0 0 "[ . 1 . ]" 1
84 1 6 ILE H 1 7 THR H . . 5.110 4.254 4.089 4.364 . 0 0 "[ . 1 . ]" 1
85 1 6 ILE HB 1 20 VAL MG2 . . 4.400 3.003 2.806 3.235 . 0 0 "[ . 1 . ]" 1
86 1 6 ILE HB 1 6 ILE MD . . 3.680 2.316 2.263 2.362 . 0 0 "[ . 1 . ]" 1
87 1 6 ILE HB 1 7 THR H . . 4.590 4.174 4.069 4.279 . 0 0 "[ . 1 . ]" 1
88 1 6 ILE HB 1 8 PHE QE . . 4.990 4.716 4.656 4.816 . 0 0 "[ . 1 . ]" 1
89 1 6 ILE HB 1 91 MET HG3 . . 4.350 4.388 4.359 4.429 0.079 2 0 "[ . 1 . ]" 1
90 1 6 ILE HG12 1 100 VAL H . . 5.200 5.014 4.900 5.148 . 0 0 "[ . 1 . ]" 1
91 1 6 ILE HG12 1 7 THR H . . 3.970 3.595 3.404 3.783 . 0 0 "[ . 1 . ]" 1
92 1 6 ILE HG12 1 7 THR HA . . 5.500 3.965 3.847 4.069 . 0 0 "[ . 1 . ]" 1
93 1 6 ILE HG12 1 7 THR HB . . 5.500 5.503 5.385 5.530 0.030 4 0 "[ . 1 . ]" 1
94 1 6 ILE HG12 1 8 PHE HA . . 5.500 4.693 4.492 4.883 . 0 0 "[ . 1 . ]" 1
95 1 6 ILE HG12 1 8 PHE HZ . . 5.140 3.125 2.989 3.344 . 0 0 "[ . 1 . ]" 1
96 1 6 ILE HG12 1 99 ARG HA . . 4.910 5.047 5.000 5.082 0.172 1 0 "[ . 1 . ]" 1
97 1 6 ILE HG13 1 29 ILE HB . . 5.200 5.291 5.254 5.321 0.121 3 0 "[ . 1 . ]" 1
98 1 6 ILE HG13 1 29 ILE MD . . 4.160 4.226 4.206 4.238 0.078 17 0 "[ . 1 . ]" 1
99 1 6 ILE HG13 1 35 LEU MD1 . . 5.220 5.439 5.413 5.461 0.241 6 0 "[ . 1 . ]" 1
100 1 6 ILE HG13 1 7 THR H . . 3.890 3.059 2.748 3.254 . 0 0 "[ . 1 . ]" 1
101 1 6 ILE HG13 1 7 THR HA . . 5.500 4.553 4.385 4.715 . 0 0 "[ . 1 . ]" 1
102 1 6 ILE HG13 1 8 PHE H . . 5.280 5.021 4.833 5.202 . 0 0 "[ . 1 . ]" 1
103 1 6 ILE HG13 1 8 PHE QE . . 5.500 3.985 3.926 4.060 . 0 0 "[ . 1 . ]" 1
104 1 6 ILE MD 1 100 VAL H . . 5.500 4.937 4.809 5.105 . 0 0 "[ . 1 . ]" 1
105 1 6 ILE MD 1 100 VAL MG1 . . 3.920 3.924 3.861 3.947 0.027 19 0 "[ . 1 . ]" 1
106 1 6 ILE MD 1 20 VAL HB . . 5.500 5.457 5.345 5.546 0.046 19 0 "[ . 1 . ]" 1
107 1 6 ILE MD 1 26 ILE H . . 5.500 4.905 4.735 5.090 . 0 0 "[ . 1 . ]" 1
108 1 6 ILE MD 1 26 ILE HA . . 4.560 2.923 2.675 3.186 . 0 0 "[ . 1 . ]" 1
109 1 6 ILE MD 1 26 ILE HB . . 5.380 4.717 4.402 5.021 . 0 0 "[ . 1 . ]" 1
110 1 6 ILE MD 1 26 ILE HG12 . . 4.230 3.857 2.511 4.291 0.061 17 0 "[ . 1 . ]" 1
111 1 6 ILE MD 1 26 ILE HG13 . . 4.520 3.349 2.189 4.326 . 0 0 "[ . 1 . ]" 1
112 1 6 ILE MD 1 26 ILE MG . . 4.020 2.772 2.221 3.868 . 0 0 "[ . 1 . ]" 1
113 1 6 ILE MD 1 29 ILE HB . . 5.110 2.385 2.316 2.419 . 0 0 "[ . 1 . ]" 1
114 1 6 ILE MD 1 29 ILE HG12 . . 5.130 4.075 4.007 4.155 . 0 0 "[ . 1 . ]" 1
115 1 6 ILE MD 1 29 ILE MD . . 3.700 1.971 1.934 1.997 . 0 0 "[ . 1 . ]" 1
116 1 6 ILE MD 1 35 LEU MD1 . . 5.500 4.150 4.058 4.244 . 0 0 "[ . 1 . ]" 1
117 1 6 ILE MD 1 7 THR H . . 4.810 4.513 4.283 4.666 . 0 0 "[ . 1 . ]" 1
118 1 6 ILE MD 1 7 THR HA . . 5.500 5.441 5.322 5.542 0.042 17 0 "[ . 1 . ]" 1
119 1 6 ILE MD 1 8 PHE H . . 5.500 5.485 5.333 5.538 0.038 10 0 "[ . 1 . ]" 1
120 1 6 ILE MD 1 8 PHE HA . . 5.500 5.071 4.941 5.162 . 0 0 "[ . 1 . ]" 1
121 1 6 ILE MD 1 8 PHE QD . . 4.150 3.076 2.898 3.234 . 0 0 "[ . 1 . ]" 1
122 1 6 ILE MD 1 91 MET HG2 . . 5.500 4.334 3.947 4.694 . 0 0 "[ . 1 . ]" 1
123 1 6 ILE MD 1 91 MET HG3 . . 5.270 4.561 4.263 4.730 . 0 0 "[ . 1 . ]" 1
124 1 6 ILE MD 1 91 MET QB . . 5.500 5.378 5.102 5.540 0.040 16 0 "[ . 1 . ]" 1
125 1 6 ILE MD 1 99 ARG HA . . 5.500 5.254 5.147 5.357 . 0 0 "[ . 1 . ]" 1
126 1 6 ILE MG 1 18 TYR H . . 4.160 3.048 2.924 3.264 . 0 0 "[ . 1 . ]" 1
127 1 6 ILE MG 1 18 TYR HB2 . . 4.470 2.254 2.097 2.359 . 0 0 "[ . 1 . ]" 1
128 1 6 ILE MG 1 18 TYR HB3 . . 3.880 3.426 3.165 3.601 . 0 0 "[ . 1 . ]" 1
129 1 6 ILE MG 1 18 TYR QD . . 4.120 3.701 3.552 3.875 . 0 0 "[ . 1 . ]" 1
130 1 6 ILE MG 1 20 VAL H . . 5.410 3.969 3.854 4.138 . 0 0 "[ . 1 . ]" 1
131 1 6 ILE MG 1 20 VAL HA . . 5.220 4.845 4.738 5.030 . 0 0 "[ . 1 . ]" 1
132 1 6 ILE MG 1 20 VAL HB . . 5.220 3.927 3.803 4.079 . 0 0 "[ . 1 . ]" 1
133 1 6 ILE MG 1 20 VAL MG2 . . 3.520 2.135 2.028 2.253 . 0 0 "[ . 1 . ]" 1
134 1 6 ILE MG 1 29 ILE HB . . 3.620 3.256 3.144 3.512 . 0 0 "[ . 1 . ]" 1
135 1 6 ILE MD 1 6 ILE MG . . 3.790 2.111 2.067 2.148 . 0 0 "[ . 1 . ]" 1
136 1 6 ILE MG 1 8 PHE HZ . . 5.500 2.350 2.254 2.436 . 0 0 "[ . 1 . ]" 1
137 1 6 ILE MG 1 8 PHE QD . . 4.000 3.918 3.805 4.009 0.009 1 0 "[ . 1 . ]" 1
138 1 6 ILE MG 1 8 PHE QE . . 5.180 2.380 2.234 2.593 . 0 0 "[ . 1 . ]" 1
139 1 6 ILE MG 1 91 MET HG3 . . 5.500 4.233 3.991 4.524 . 0 0 "[ . 1 . ]" 1
140 1 7 THR H 1 18 TYR H . . 5.500 4.849 4.775 4.909 . 0 0 "[ . 1 . ]" 1
141 1 7 THR H 1 7 THR HB . . 3.660 2.567 2.483 2.670 . 0 0 "[ . 1 . ]" 1
142 1 7 THR H 1 8 PHE H . . 5.490 4.448 4.416 4.482 . 0 0 "[ . 1 . ]" 1
143 1 7 THR H 1 8 PHE HA . . 5.500 5.141 4.995 5.267 . 0 0 "[ . 1 . ]" 1
144 1 7 THR H 1 8 PHE QD . . 5.450 5.124 4.988 5.338 . 0 0 "[ . 1 . ]" 1
145 1 7 THR H 1 98 ILE MD . . 4.800 4.124 3.843 4.800 . 0 0 "[ . 1 . ]" 1
146 1 7 THR H 1 99 ARG HA . . 4.000 2.594 2.392 2.734 . 0 0 "[ . 1 . ]" 1
147 1 7 THR H 1 99 ARG HG2 . . 4.840 4.799 4.448 4.926 0.086 17 0 "[ . 1 . ]" 1
148 1 7 THR HA 1 100 VAL H . . 5.500 5.037 4.950 5.186 . 0 0 "[ . 1 . ]" 1
149 1 7 THR HA 1 16 LYS H . . 4.860 4.235 4.070 4.452 . 0 0 "[ . 1 . ]" 1
150 1 7 THR HA 1 16 LYS HB3 . . 5.500 5.503 5.434 5.559 0.059 1 0 "[ . 1 . ]" 1
151 1 7 THR HA 1 17 THR HA . . 5.500 2.191 2.048 2.331 . 0 0 "[ . 1 . ]" 1
152 1 7 THR HA 1 18 TYR H . . 3.800 3.450 3.276 3.649 . 0 0 "[ . 1 . ]" 1
153 1 7 THR HA 1 7 THR MG . . 3.730 2.399 2.322 2.460 . 0 0 "[ . 1 . ]" 1
154 1 7 THR HA 1 8 PHE H . . 2.990 2.076 2.035 2.110 . 0 0 "[ . 1 . ]" 1
155 1 7 THR HA 1 8 PHE HB2 . . 5.090 4.898 4.710 4.969 . 0 0 "[ . 1 . ]" 1
156 1 7 THR HA 1 8 PHE HB3 . . 5.500 5.558 5.530 5.585 0.085 1 0 "[ . 1 . ]" 1
157 1 7 THR HA 1 8 PHE QD . . 4.450 3.229 3.106 3.439 . 0 0 "[ . 1 . ]" 1
158 1 7 THR HA 1 8 PHE QE . . 5.500 4.328 4.156 4.595 . 0 0 "[ . 1 . ]" 1
159 1 7 THR HB 1 100 VAL H . . 4.520 3.809 3.620 4.078 . 0 0 "[ . 1 . ]" 1
160 1 7 THR HB 1 100 VAL MG2 . . 5.500 5.238 5.073 5.394 . 0 0 "[ . 1 . ]" 1
161 1 7 THR HB 1 8 PHE H . . 5.360 4.153 4.044 4.284 . 0 0 "[ . 1 . ]" 1
162 1 7 THR HB 1 8 PHE HA . . 5.500 4.757 4.559 4.981 . 0 0 "[ . 1 . ]" 1
163 1 7 THR HB 1 98 ILE MD . . 5.500 5.266 5.074 5.517 0.017 5 0 "[ . 1 . ]" 1
164 1 7 THR HB 1 99 ARG HA . . 3.800 2.361 2.254 2.524 . 0 0 "[ . 1 . ]" 1
165 1 7 THR HB 1 99 ARG HB2 . . 3.860 3.466 3.072 3.779 . 0 0 "[ . 1 . ]" 1
166 1 7 THR HB 1 99 ARG HB3 . . 4.330 4.353 4.261 4.441 0.111 8 0 "[ . 1 . ]" 1
167 1 7 THR HB 1 99 ARG HG2 . . 4.110 3.103 2.979 3.279 . 0 0 "[ . 1 . ]" 1
168 1 7 THR HB 1 99 ARG HG3 . . 3.960 2.169 2.028 2.303 . 0 0 "[ . 1 . ]" 1
169 1 7 THR HB 1 99 ARG QD . . 4.710 4.244 3.975 4.379 . 0 0 "[ . 1 . ]" 1
170 1 7 THR MG 1 100 VAL H . . 5.170 3.956 3.739 4.113 . 0 0 "[ . 1 . ]" 1
171 1 7 THR MG 1 15 GLN HA . . 4.210 3.526 3.287 3.835 . 0 0 "[ . 1 . ]" 1
172 1 7 THR MG 1 15 GLN HG3 . . 3.940 3.541 2.855 4.002 0.062 19 0 "[ . 1 . ]" 1
173 1 7 THR MG 1 15 GLN QB . . 3.720 2.653 2.386 2.979 . 0 0 "[ . 1 . ]" 1
174 1 7 THR MG 1 16 LYS H . . 4.370 2.890 2.710 3.121 . 0 0 "[ . 1 . ]" 1
175 1 7 THR MG 1 17 THR H . . 5.500 4.143 3.825 4.416 . 0 0 "[ . 1 . ]" 1
176 1 7 THR MG 1 8 PHE H . . 3.790 2.634 2.560 2.745 . 0 0 "[ . 1 . ]" 1
177 1 7 THR MG 1 8 PHE HA . . 4.680 3.568 3.384 3.659 . 0 0 "[ . 1 . ]" 1
178 1 7 THR MG 1 8 PHE HB2 . . 5.460 4.752 4.613 4.837 . 0 0 "[ . 1 . ]" 1
179 1 7 THR MG 1 8 PHE HB3 . . 5.170 5.172 5.000 5.210 0.040 15 0 "[ . 1 . ]" 1
180 1 7 THR MG 1 99 ARG HA . . 4.800 3.679 3.495 3.806 . 0 0 "[ . 1 . ]" 1
181 1 7 THR MG 1 99 ARG QD . . 4.300 3.448 3.166 3.830 . 0 0 "[ . 1 . ]" 1
182 1 7 THR MG 1 9 ILE H . . 4.320 4.183 3.857 4.341 0.021 10 0 "[ . 1 . ]" 1
183 1 8 PHE H 1 100 VAL MG2 . . 5.500 4.808 4.567 4.970 . 0 0 "[ . 1 . ]" 1
184 1 8 PHE H 1 102 LEU QD . . 5.500 5.235 4.585 5.895 0.395 1 0 "[ . 1 . ]" 1
185 1 8 PHE H 1 15 GLN HA . . 5.370 4.566 4.367 4.719 . 0 0 "[ . 1 . ]" 1
186 1 8 PHE H 1 16 LYS H . . 4.130 3.008 2.886 3.126 . 0 0 "[ . 1 . ]" 1
187 1 8 PHE H 1 16 LYS HB2 . . 5.500 3.551 3.368 3.780 . 0 0 "[ . 1 . ]" 1
188 1 8 PHE H 1 18 TYR H . . 5.010 4.747 4.608 4.886 . 0 0 "[ . 1 . ]" 1
189 1 8 PHE H 1 18 TYR QD . . 5.500 5.545 5.527 5.563 0.063 4 0 "[ . 1 . ]" 1
190 1 8 PHE H 1 35 LEU MD1 . . 5.500 4.354 4.236 4.444 . 0 0 "[ . 1 . ]" 1
191 1 8 PHE H 1 8 PHE HB2 . . 3.600 2.927 2.738 3.003 . 0 0 "[ . 1 . ]" 1
192 1 8 PHE H 1 8 PHE HB3 . . 3.890 3.796 3.738 3.830 . 0 0 "[ . 1 . ]" 1
193 1 8 PHE H 1 8 PHE QD . . 3.790 2.129 2.078 2.194 . 0 0 "[ . 1 . ]" 1
194 1 8 PHE H 1 8 PHE QE . . 5.500 4.186 4.108 4.242 . 0 0 "[ . 1 . ]" 1
195 1 8 PHE H 1 99 ARG HG2 . . 5.390 5.099 4.830 5.353 . 0 0 "[ . 1 . ]" 1
196 1 8 PHE H 1 9 ILE H . . 4.840 4.426 4.347 4.487 . 0 0 "[ . 1 . ]" 1
197 1 8 PHE HA 1 100 VAL H . . 3.830 2.864 2.746 3.009 . 0 0 "[ . 1 . ]" 1
198 1 8 PHE HA 1 100 VAL MG1 . . 5.450 5.121 5.071 5.181 . 0 0 "[ . 1 . ]" 1
199 1 8 PHE HA 1 100 VAL MG2 . . 3.940 2.747 2.504 2.901 . 0 0 "[ . 1 . ]" 1
200 1 8 PHE HA 1 101 ALA H . . 5.480 5.288 5.133 5.440 . 0 0 "[ . 1 . ]" 1
201 1 8 PHE HA 1 101 ALA HA . . 4.340 3.919 3.717 4.137 . 0 0 "[ . 1 . ]" 1
202 1 8 PHE HA 1 102 LEU QD . . 4.730 3.869 2.719 4.798 0.068 1 0 "[ . 1 . ]" 1
203 1 8 PHE HA 1 16 LYS H . . 5.500 4.916 4.858 4.977 . 0 0 "[ . 1 . ]" 1
204 1 8 PHE HA 1 35 LEU MD1 . . 5.500 4.430 4.300 4.560 . 0 0 "[ . 1 . ]" 1
205 1 8 PHE HA 1 8 PHE QD . . 3.870 3.515 3.438 3.574 . 0 0 "[ . 1 . ]" 1
206 1 8 PHE HA 1 99 ARG HG3 . . 5.060 5.006 4.787 5.123 0.063 3 0 "[ . 1 . ]" 1
207 1 8 PHE HA 1 9 ILE H . . 2.860 2.114 2.050 2.182 . 0 0 "[ . 1 . ]" 1
208 1 8 PHE HA 1 9 ILE HA . . 4.520 4.410 4.353 4.447 . 0 0 "[ . 1 . ]" 1
209 1 8 PHE HA 1 9 ILE HB . . 4.640 4.688 4.636 4.727 0.087 3 0 "[ . 1 . ]" 1
210 1 8 PHE HA 1 9 ILE HG13 . . 5.090 4.198 3.654 5.125 0.035 16 0 "[ . 1 . ]" 1
211 1 8 PHE HA 1 9 ILE MD . . 5.500 4.942 3.989 5.369 . 0 0 "[ . 1 . ]" 1
212 1 8 PHE HB2 1 100 VAL MG2 . . 5.500 4.453 4.351 4.645 . 0 0 "[ . 1 . ]" 1
213 1 8 PHE HB2 1 102 LEU MD1 . . 3.570 3.275 2.405 3.629 0.059 12 0 "[ . 1 . ]" 1
214 1 8 PHE HB2 1 102 LEU QD . . 3.710 3.103 2.366 3.580 . 0 0 "[ . 1 . ]" 1
215 1 8 PHE HB2 1 16 LYS H . . 4.830 4.159 4.061 4.214 . 0 0 "[ . 1 . ]" 1
216 1 8 PHE HB2 1 16 LYS HB2 . . 5.430 3.466 3.338 3.681 . 0 0 "[ . 1 . ]" 1
217 1 8 PHE HB2 1 16 LYS HB3 . . 4.880 4.905 4.881 4.940 0.060 12 0 "[ . 1 . ]" 1
218 1 8 PHE HB2 1 35 LEU MD1 . . 4.300 2.267 2.137 2.485 . 0 0 "[ . 1 . ]" 1
219 1 8 PHE HB2 1 9 ILE H . . 4.640 3.759 3.670 3.853 . 0 0 "[ . 1 . ]" 1
220 1 8 PHE HB3 1 100 VAL MG2 . . 5.500 3.095 2.967 3.431 . 0 0 "[ . 1 . ]" 1
221 1 8 PHE HB3 1 102 LEU HG . . 4.680 3.979 2.503 4.719 0.039 14 0 "[ . 1 . ]" 1
222 1 8 PHE HB3 1 102 LEU MD1 . . 4.190 2.427 2.063 3.421 . 0 0 "[ . 1 . ]" 1
223 1 8 PHE HB3 1 102 LEU QD . . 3.960 2.310 1.948 2.968 . 0 0 "[ . 1 . ]" 1
224 1 8 PHE HB3 1 16 LYS H . . 5.500 5.491 5.406 5.522 0.022 11 0 "[ . 1 . ]" 1
225 1 8 PHE HB3 1 35 LEU MD1 . . 4.400 2.682 2.492 2.924 . 0 0 "[ . 1 . ]" 1
226 1 8 PHE HB3 1 9 ILE H . . 4.200 3.064 2.932 3.219 . 0 0 "[ . 1 . ]" 1
227 1 8 PHE HZ 1 18 TYR HB2 . . 5.500 3.703 3.503 3.828 . 0 0 "[ . 1 . ]" 1
228 1 8 PHE HZ 1 18 TYR HB3 . . 5.500 4.714 4.378 4.868 . 0 0 "[ . 1 . ]" 1
229 1 8 PHE HZ 1 18 TYR QD . . 4.030 3.275 3.032 3.500 . 0 0 "[ . 1 . ]" 1
230 1 8 PHE HZ 1 29 ILE MG . . 3.780 1.937 1.914 1.959 . 0 0 "[ . 1 . ]" 1
231 1 8 PHE HZ 1 30 ALA HA . . 5.300 4.261 3.961 4.572 . 0 0 "[ . 1 . ]" 1
232 1 8 PHE HZ 1 30 ALA MB . . 5.500 4.790 4.563 5.059 . 0 0 "[ . 1 . ]" 1
233 1 8 PHE HZ 1 35 LEU MD1 . . 5.500 3.220 3.133 3.308 . 0 0 "[ . 1 . ]" 1
234 1 8 PHE QD 1 100 VAL HB . . 5.110 5.151 5.083 5.196 0.086 15 0 "[ . 1 . ]" 1
235 1 8 PHE QD 1 100 VAL MG1 . . 4.820 5.015 4.919 5.120 0.300 18 0 "[ . 1 . ]" 1
236 1 8 PHE QD 1 100 VAL MG2 . . 3.640 2.693 2.600 2.818 . 0 0 "[ . 1 . ]" 1
237 1 8 PHE QD 1 102 LEU QD . . 3.880 2.509 2.149 3.451 . 0 0 "[ . 1 . ]" 1
238 1 8 PHE QD 1 16 LYS H . . 5.500 4.201 4.033 4.349 . 0 0 "[ . 1 . ]" 1
239 1 8 PHE QD 1 16 LYS HB2 . . 3.860 3.238 2.961 3.621 . 0 0 "[ . 1 . ]" 1
240 1 8 PHE QD 1 16 LYS HB3 . . 4.660 3.913 3.760 4.166 . 0 0 "[ . 1 . ]" 1
241 1 8 PHE QD 1 18 TYR H . . 5.260 4.209 4.022 4.429 . 0 0 "[ . 1 . ]" 1
242 1 8 PHE QD 1 18 TYR HB3 . . 5.490 5.526 5.505 5.547 0.057 8 0 "[ . 1 . ]" 1
243 1 8 PHE QD 1 26 ILE HA . . 5.100 5.117 5.029 5.148 0.048 4 0 "[ . 1 . ]" 1
244 1 8 PHE QD 1 26 ILE MG . . 3.130 3.362 3.110 4.254 1.124 4 1 "[ +. 1 . ]" 1
245 1 8 PHE QD 1 29 ILE HB . . 4.550 4.658 4.620 4.684 0.134 15 0 "[ . 1 . ]" 1
246 1 8 PHE QD 1 30 ALA H . . 4.990 4.848 4.705 4.993 0.003 15 0 "[ . 1 . ]" 1
247 1 8 PHE QD 1 30 ALA HA . . 4.300 4.339 4.179 4.404 0.104 15 0 "[ . 1 . ]" 1
248 1 8 PHE QD 1 30 ALA MB . . 3.790 3.355 3.126 3.476 . 0 0 "[ . 1 . ]" 1
249 1 8 PHE QD 1 35 LEU MD1 . . 3.890 2.558 2.482 2.603 . 0 0 "[ . 1 . ]" 1
250 1 8 PHE QD 1 35 LEU MD2 . . 4.850 2.885 2.562 3.346 . 0 0 "[ . 1 . ]" 1
251 1 8 PHE QD 1 9 ILE H . . 4.820 4.804 4.700 4.861 0.041 6 0 "[ . 1 . ]" 1
252 1 8 PHE QE 1 102 LEU QD . . 4.820 3.955 3.395 4.644 . 0 0 "[ . 1 . ]" 1
253 1 8 PHE QE 1 18 TYR H . . 5.500 3.453 3.250 3.725 . 0 0 "[ . 1 . ]" 1
254 1 8 PHE QE 1 18 TYR HB2 . . 4.080 2.146 2.072 2.229 . 0 0 "[ . 1 . ]" 1
255 1 8 PHE QE 1 18 TYR HB3 . . 4.580 3.566 3.419 3.610 . 0 0 "[ . 1 . ]" 1
256 1 8 PHE QE 1 18 TYR QD . . 2.740 2.260 2.178 2.420 . 0 0 "[ . 1 . ]" 1
257 1 8 PHE QE 1 29 ILE MG . . 4.740 3.070 3.040 3.097 . 0 0 "[ . 1 . ]" 1
258 1 8 PHE QE 1 30 ALA HA . . 4.970 3.518 3.287 3.677 . 0 0 "[ . 1 . ]" 1
259 1 8 PHE QE 1 35 LEU MD1 . . 3.470 2.780 2.689 2.852 . 0 0 "[ . 1 . ]" 1
260 1 9 ILE H 1 100 VAL H . . 4.640 4.040 3.783 4.383 . 0 0 "[ . 1 . ]" 1
261 1 9 ILE H 1 100 VAL HB . . 5.260 5.207 5.066 5.267 0.007 9 0 "[ . 1 . ]" 1
262 1 9 ILE H 1 100 VAL MG2 . . 4.810 3.713 3.645 3.769 . 0 0 "[ . 1 . ]" 1
263 1 9 ILE H 1 101 ALA HA . . 3.350 2.298 2.120 2.540 . 0 0 "[ . 1 . ]" 1
264 1 9 ILE H 1 102 LEU H . . 4.130 3.528 3.119 4.144 0.014 5 0 "[ . 1 . ]" 1
265 1 9 ILE H 1 102 LEU HB3 . . 5.500 5.088 4.203 5.543 0.043 17 0 "[ . 1 . ]" 1
266 1 9 ILE H 1 10 LEU H . . 4.700 4.437 4.255 4.548 . 0 0 "[ . 1 . ]" 1
267 1 9 ILE H 1 15 GLN HA . . 5.500 5.023 4.956 5.092 . 0 0 "[ . 1 . ]" 1
268 1 9 ILE H 1 9 ILE HB . . 3.560 2.630 2.569 2.708 . 0 0 "[ . 1 . ]" 1
269 1 9 ILE H 1 9 ILE HG12 . . 3.980 2.949 2.343 3.425 . 0 0 "[ . 1 . ]" 1
270 1 9 ILE H 1 9 ILE HG13 . . 3.850 2.815 2.323 3.865 0.015 17 0 "[ . 1 . ]" 1
271 1 9 ILE H 1 9 ILE MD . . 4.850 3.875 3.442 4.183 . 0 0 "[ . 1 . ]" 1
272 1 9 ILE HA 1 101 ALA HA . . 5.500 4.426 4.258 4.642 . 0 0 "[ . 1 . ]" 1
273 1 9 ILE HA 1 10 LEU H . . 3.080 2.116 2.051 2.169 . 0 0 "[ . 1 . ]" 1
274 1 9 ILE HA 1 10 LEU MD2 . . 5.090 3.569 3.367 3.882 . 0 0 "[ . 1 . ]" 1
275 1 9 ILE HA 1 15 GLN HA . . 3.520 2.725 2.582 2.908 . 0 0 "[ . 1 . ]" 1
276 1 9 ILE HA 1 15 GLN QE . . 5.500 3.712 2.439 4.583 . 0 0 "[ . 1 . ]" 1
277 1 9 ILE HA 1 15 GLN HG3 . . 4.000 3.582 3.138 4.005 0.005 11 0 "[ . 1 . ]" 1
278 1 9 ILE HA 1 16 LYS H . . 4.550 3.875 3.716 4.099 . 0 0 "[ . 1 . ]" 1
279 1 9 ILE HA 1 9 ILE HG13 . . 3.840 3.560 3.276 3.853 0.013 17 0 "[ . 1 . ]" 1
280 1 9 ILE HA 1 9 ILE MD . . 4.530 3.360 2.221 3.857 . 0 0 "[ . 1 . ]" 1
281 1 9 ILE HA 1 9 ILE MG . . 3.490 2.341 2.269 2.393 . 0 0 "[ . 1 . ]" 1
282 1 9 ILE HB 1 100 VAL MG2 . . 5.500 5.515 5.476 5.531 0.031 18 0 "[ . 1 . ]" 1
283 1 9 ILE HB 1 101 ALA HA . . 3.220 2.125 1.986 2.384 . 0 0 "[ . 1 . ]" 1
284 1 9 ILE HB 1 101 ALA MB . . 3.130 2.263 2.140 2.663 . 0 0 "[ . 1 . ]" 1
285 1 9 ILE HB 1 102 LEU H . . 4.050 2.943 2.413 3.576 . 0 0 "[ . 1 . ]" 1
286 1 9 ILE HB 1 10 LEU H . . 4.310 4.091 3.973 4.249 . 0 0 "[ . 1 . ]" 1
287 1 9 ILE HG12 1 101 ALA HA . . 3.920 3.831 3.219 4.054 0.134 18 0 "[ . 1 . ]" 1
288 1 9 ILE HG12 1 15 GLN HG2 . . 4.940 4.753 4.172 4.996 0.056 16 0 "[ . 1 . ]" 1
289 1 9 ILE HG12 1 15 GLN HG3 . . 4.950 3.541 2.712 4.649 . 0 0 "[ . 1 . ]" 1
290 1 9 ILE HG12 1 99 ARG QD . . 3.680 3.127 2.557 3.706 0.026 8 0 "[ . 1 . ]" 1
291 1 9 ILE HG13 1 15 GLN HA . . 5.500 5.460 5.125 5.544 0.044 19 0 "[ . 1 . ]" 1
292 1 9 ILE HG13 1 15 GLN HG3 . . 5.490 4.710 4.356 5.119 . 0 0 "[ . 1 . ]" 1
293 1 9 ILE MD 1 101 ALA HA . . 4.630 3.809 2.929 4.670 0.040 16 0 "[ . 1 . ]" 1
294 1 9 ILE MD 1 101 ALA MB . . 4.110 2.782 2.146 4.128 0.018 19 0 "[ . 1 . ]" 1
295 1 9 ILE MD 1 10 LEU H . . 5.490 4.750 3.945 5.215 . 0 0 "[ . 1 . ]" 1
296 1 9 ILE MD 1 15 GLN HA . . 5.500 4.453 2.586 5.508 0.008 8 0 "[ . 1 . ]" 1
297 1 9 ILE MD 1 15 GLN QE . . 5.500 3.541 2.765 4.499 . 0 0 "[ . 1 . ]" 1
298 1 9 ILE MD 1 15 GLN HG3 . . 5.240 3.282 1.975 4.296 . 0 0 "[ . 1 . ]" 1
299 1 9 ILE MD 1 99 ARG HG2 . . 4.290 3.560 2.674 4.212 . 0 0 "[ . 1 . ]" 1
300 1 9 ILE MD 1 99 ARG QD . . 4.050 2.269 2.102 2.695 . 0 0 "[ . 1 . ]" 1
301 1 9 ILE MG 1 102 LEU H . . 4.580 4.015 3.698 4.579 . 0 0 "[ . 1 . ]" 1
302 1 9 ILE MG 1 10 LEU H . . 4.040 2.685 2.489 2.983 . 0 0 "[ . 1 . ]" 1
303 1 9 ILE MG 1 10 LEU HA . . 5.060 4.341 4.134 4.624 . 0 0 "[ . 1 . ]" 1
304 1 9 ILE MG 1 10 LEU QB . . 4.470 4.015 3.867 4.231 . 0 0 "[ . 1 . ]" 1
305 1 9 ILE MG 1 11 LYS HA . . 5.500 5.021 4.661 5.505 0.005 3 0 "[ . 1 . ]" 1
306 1 9 ILE MG 1 13 GLY H . . 4.300 3.829 3.607 4.218 . 0 0 "[ . 1 . ]" 1
307 1 9 ILE MG 1 13 GLY HA2 . . 3.910 2.679 2.593 2.801 . 0 0 "[ . 1 . ]" 1
308 1 9 ILE MG 1 13 GLY HA3 . . 4.000 4.015 3.962 4.052 0.052 10 0 "[ . 1 . ]" 1
309 1 9 ILE MG 1 15 GLN QE . . 4.910 2.655 1.892 3.477 . 0 0 "[ . 1 . ]" 1
310 1 9 ILE MG 1 99 ARG QD . . 4.810 4.677 4.038 5.245 0.435 8 0 "[ . 1 . ]" 1
311 1 10 LEU H 1 10 LEU QB . . 3.650 2.402 2.349 2.468 . 0 0 "[ . 1 . ]" 1
312 1 10 LEU H 1 10 LEU HG . . 3.680 2.477 2.363 2.587 . 0 0 "[ . 1 . ]" 1
313 1 10 LEU H 1 10 LEU QD . . 4.090 2.741 2.578 2.860 . 0 0 "[ . 1 . ]" 1
314 1 10 LEU H 1 11 LYS H . . 5.110 4.697 4.633 4.761 . 0 0 "[ . 1 . ]" 1
315 1 10 LEU H 1 13 GLY HA3 . . 5.500 5.322 5.151 5.503 0.003 16 0 "[ . 1 . ]" 1
316 1 10 LEU H 1 14 SER H . . 4.730 3.758 3.560 3.976 . 0 0 "[ . 1 . ]" 1
317 1 10 LEU H 1 14 SER HA . . 5.240 4.688 4.565 4.819 . 0 0 "[ . 1 . ]" 1
318 1 10 LEU H 1 14 SER HB3 . . 5.500 5.297 5.192 5.477 . 0 0 "[ . 1 . ]" 1
319 1 10 LEU H 1 15 GLN H . . 5.500 4.853 4.780 4.933 . 0 0 "[ . 1 . ]" 1
320 1 10 LEU H 1 15 GLN HA . . 4.110 3.553 3.296 3.709 . 0 0 "[ . 1 . ]" 1
321 1 10 LEU H 1 16 LYS H . . 5.270 4.717 4.454 4.954 . 0 0 "[ . 1 . ]" 1
322 1 10 LEU HA 1 10 LEU MD2 . . 3.100 2.180 2.141 2.237 . 0 0 "[ . 1 . ]" 1
323 1 10 LEU HA 1 10 LEU QD . . 3.110 2.164 2.125 2.218 . 0 0 "[ . 1 . ]" 1
324 1 10 LEU HA 1 11 LYS H . . 3.390 2.393 2.275 2.497 . 0 0 "[ . 1 . ]" 1
325 1 10 LEU QB 1 11 LYS H . . 3.130 2.592 2.326 2.855 . 0 0 "[ . 1 . ]" 1
326 1 10 LEU QB 1 12 ASP H . . 3.420 2.482 2.097 2.670 . 0 0 "[ . 1 . ]" 1
327 1 10 LEU QB 1 13 GLY H . . 4.310 2.866 2.524 3.118 . 0 0 "[ . 1 . ]" 1
328 1 10 LEU QB 1 14 SER H . . 3.780 2.231 2.016 2.410 . 0 0 "[ . 1 . ]" 1
329 1 10 LEU QB 1 15 GLN H . . 5.270 5.072 5.016 5.112 . 0 0 "[ . 1 . ]" 1
330 1 10 LEU QB 1 15 GLN QE . . 5.500 4.984 4.667 5.167 . 0 0 "[ . 1 . ]" 1
331 1 10 LEU QB 1 14 SER HB2 . . 3.990 2.949 2.855 3.032 . 0 0 "[ . 1 . ]" 1
332 1 10 LEU HG 1 14 SER H . . 5.500 3.746 3.501 3.942 . 0 0 "[ . 1 . ]" 1
333 1 10 LEU HG 1 15 GLN H . . 4.040 4.134 4.098 4.183 0.143 4 0 "[ . 1 . ]" 1
334 1 10 LEU HG 1 15 GLN HA . . 3.970 3.592 3.448 3.760 . 0 0 "[ . 1 . ]" 1
335 1 10 LEU HG 1 15 GLN QE . . 5.500 5.058 4.561 5.310 . 0 0 "[ . 1 . ]" 1
336 1 10 LEU HG 1 16 LYS H . . 4.530 4.150 4.027 4.290 . 0 0 "[ . 1 . ]" 1
337 1 10 LEU MD1 1 14 SER H . . 4.090 3.504 3.180 3.738 . 0 0 "[ . 1 . ]" 1
338 1 10 LEU MD1 1 16 LYS HB2 . . 4.920 4.052 3.808 4.283 . 0 0 "[ . 1 . ]" 1
339 1 10 LEU MD2 1 12 ASP H . . 4.900 4.813 4.384 4.934 0.034 7 0 "[ . 1 . ]" 1
340 1 10 LEU QD 1 11 LYS H . . 4.470 3.481 3.356 3.743 . 0 0 "[ . 1 . ]" 1
341 1 10 LEU QD 1 11 LYS HA . . 5.500 5.360 5.268 5.436 . 0 0 "[ . 1 . ]" 1
342 1 10 LEU QD 1 12 ASP H . . 4.850 3.772 3.500 3.895 . 0 0 "[ . 1 . ]" 1
343 1 10 LEU QD 1 14 SER H . . 4.110 3.432 3.141 3.636 . 0 0 "[ . 1 . ]" 1
344 1 10 LEU QD 1 14 SER HB2 . . 5.300 2.147 2.061 2.251 . 0 0 "[ . 1 . ]" 1
345 1 10 LEU QD 1 15 GLN H . . 4.580 4.415 4.322 4.519 . 0 0 "[ . 1 . ]" 1
346 1 10 LEU QD 1 15 GLN HA . . 4.880 3.833 3.699 4.005 . 0 0 "[ . 1 . ]" 1
347 1 10 LEU QD 1 16 LYS H . . 4.850 3.631 3.463 3.843 . 0 0 "[ . 1 . ]" 1
348 1 10 LEU QD 1 16 LYS HE3 . . 4.700 3.258 2.359 4.286 . 0 0 "[ . 1 . ]" 1
349 1 10 LEU QD 1 35 LEU MD2 . . 3.530 2.055 1.946 2.355 . 0 0 "[ . 1 . ]" 1
350 1 10 LEU QD 1 36 ASP H . . 5.500 2.966 2.317 3.650 . 0 0 "[ . 1 . ]" 1
351 1 11 LYS H 1 11 LYS HB2 . . 3.590 3.160 2.243 3.640 0.050 8 0 "[ . 1 . ]" 1
352 1 11 LYS H 1 11 LYS HB3 . . 4.010 3.124 2.647 3.671 . 0 0 "[ . 1 . ]" 1
353 1 11 LYS H 1 11 LYS QG . . 3.970 2.167 1.794 2.939 . 0 0 "[ . 1 . ]" 1
354 1 11 LYS H 1 12 ASP H . . 3.710 2.707 2.445 3.109 . 0 0 "[ . 1 . ]" 1
355 1 11 LYS H 1 13 GLY H . . 5.210 4.052 3.748 4.253 . 0 0 "[ . 1 . ]" 1
356 1 11 LYS H 1 37 MET HB2 . . 4.070 4.072 3.791 4.147 0.077 1 0 "[ . 1 . ]" 1
357 1 11 LYS HA 1 11 LYS QG . . 3.720 3.023 2.178 3.542 . 0 0 "[ . 1 . ]" 1
358 1 11 LYS HA 1 13 GLY H . . 4.460 3.525 3.194 3.954 . 0 0 "[ . 1 . ]" 1
359 1 11 LYS HB2 1 12 ASP H . . 4.060 3.497 2.276 4.110 0.050 17 0 "[ . 1 . ]" 1
360 1 11 LYS HB3 1 11 LYS HE3 . . 4.750 3.913 2.046 4.781 0.031 1 0 "[ . 1 . ]" 1
361 1 11 LYS QD 1 12 ASP H . . 5.410 4.072 2.400 5.414 0.004 5 0 "[ . 1 . ]" 1
362 1 11 LYS QG 1 13 GLY H . . 5.500 5.111 4.590 5.479 . 0 0 "[ . 1 . ]" 1
363 1 11 LYS QG 1 37 MET HA . . 4.430 2.256 1.931 3.471 . 0 0 "[ . 1 . ]" 1
364 1 11 LYS QG 1 37 MET HB2 . . 3.620 3.625 3.306 3.708 0.088 10 0 "[ . 1 . ]" 1
365 1 12 ASP H 1 12 ASP HB2 . . 3.900 2.601 2.257 3.649 . 0 0 "[ . 1 . ]" 1
366 1 12 ASP H 1 12 ASP HB3 . . 4.190 2.898 2.397 3.711 . 0 0 "[ . 1 . ]" 1
367 1 12 ASP H 1 13 GLY H . . 3.410 2.677 2.294 2.950 . 0 0 "[ . 1 . ]" 1
368 1 12 ASP H 1 13 GLY HA2 . . 5.180 4.917 4.585 5.182 0.002 13 0 "[ . 1 . ]" 1
369 1 12 ASP H 1 14 SER H . . 4.910 3.947 3.709 4.227 . 0 0 "[ . 1 . ]" 1
370 1 12 ASP HA 1 13 GLY HA2 . . 5.500 5.035 4.882 5.145 . 0 0 "[ . 1 . ]" 1
371 1 12 ASP HA 1 13 GLY HA3 . . 5.500 4.545 4.391 4.662 . 0 0 "[ . 1 . ]" 1
372 1 12 ASP HB2 1 13 GLY H . . 5.460 4.237 3.629 4.492 . 0 0 "[ . 1 . ]" 1
373 1 12 ASP HB3 1 14 SER H . . 5.460 3.536 2.873 4.830 . 0 0 "[ . 1 . ]" 1
374 1 14 SER H 1 14 SER HB3 . . 3.700 3.525 3.410 3.708 0.008 4 0 "[ . 1 . ]" 1
375 1 14 SER H 1 15 GLN H . . 4.950 4.655 4.602 4.696 . 0 0 "[ . 1 . ]" 1
376 1 14 SER HA 1 15 GLN H . . 2.940 2.356 2.294 2.433 . 0 0 "[ . 1 . ]" 1
377 1 14 SER HA 1 15 GLN HA . . 4.940 4.562 4.521 4.602 . 0 0 "[ . 1 . ]" 1
378 1 14 SER HB2 1 15 GLN H . . 3.630 3.168 3.091 3.273 . 0 0 "[ . 1 . ]" 1
379 1 14 SER HB2 1 16 LYS HD3 . . 4.390 4.246 3.524 4.426 0.036 7 0 "[ . 1 . ]" 1
380 1 14 SER HB2 1 16 LYS HE2 . . 5.500 4.012 2.642 5.524 0.024 12 0 "[ . 1 . ]" 1
381 1 14 SER HB2 1 16 LYS HG3 . . 3.930 4.031 3.982 4.060 0.130 3 0 "[ . 1 . ]" 1
382 1 14 SER HB3 1 15 GLN H . . 3.640 2.707 2.291 2.986 . 0 0 "[ . 1 . ]" 1
383 1 15 GLN H 1 15 GLN QE . . 5.050 3.148 2.561 3.648 . 0 0 "[ . 1 . ]" 1
384 1 15 GLN H 1 15 GLN HG2 . . 4.160 4.250 4.202 4.303 0.143 2 0 "[ . 1 . ]" 1
385 1 15 GLN H 1 15 GLN HG3 . . 5.140 3.940 3.349 4.521 . 0 0 "[ . 1 . ]" 1
386 1 15 GLN H 1 15 GLN QB . . 3.400 2.562 2.440 2.716 . 0 0 "[ . 1 . ]" 1
387 1 15 GLN H 1 16 LYS H . . 5.200 4.357 4.318 4.405 . 0 0 "[ . 1 . ]" 1
388 1 15 GLN HA 1 15 GLN HG3 . . 3.970 2.699 2.418 2.985 . 0 0 "[ . 1 . ]" 1
389 1 15 GLN HA 1 16 LYS H . . 3.000 2.015 1.979 2.048 . 0 0 "[ . 1 . ]" 1
390 1 15 GLN HA 1 16 LYS HB3 . . 5.300 5.417 5.386 5.454 0.154 18 0 "[ . 1 . ]" 1
391 1 15 GLN HA 1 16 LYS HG2 . . 5.500 3.714 3.443 3.948 . 0 0 "[ . 1 . ]" 1
392 1 15 GLN HA 1 16 LYS HG3 . . 5.500 5.111 4.906 5.318 . 0 0 "[ . 1 . ]" 1
393 1 15 GLN HG3 1 16 LYS H . . 5.500 4.257 4.061 4.488 . 0 0 "[ . 1 . ]" 1
394 1 15 GLN HG3 1 99 ARG QD . . 5.500 4.699 3.990 5.525 0.025 3 0 "[ . 1 . ]" 1
395 1 15 GLN QB 1 16 LYS H . . 3.970 2.887 2.784 3.049 . 0 0 "[ . 1 . ]" 1
396 1 15 GLN QB 1 17 THR H . . 4.540 4.633 4.601 4.664 0.124 6 0 "[ . 1 . ]" 1
397 1 16 LYS H 1 16 LYS HB3 . . 4.090 3.730 3.689 3.774 . 0 0 "[ . 1 . ]" 1
398 1 16 LYS H 1 16 LYS HD2 . . 5.500 4.964 4.402 5.293 . 0 0 "[ . 1 . ]" 1
399 1 16 LYS H 1 16 LYS HG2 . . 4.810 3.195 3.035 3.348 . 0 0 "[ . 1 . ]" 1
400 1 16 LYS H 1 16 LYS HG3 . . 4.920 4.232 4.080 4.356 . 0 0 "[ . 1 . ]" 1
401 1 16 LYS H 1 17 THR H . . 4.970 3.989 3.911 4.055 . 0 0 "[ . 1 . ]" 1
402 1 16 LYS H 1 17 THR HA . . 4.650 4.666 4.650 4.688 0.038 10 0 "[ . 1 . ]" 1
403 1 16 LYS HA 1 16 LYS HD2 . . 4.140 2.763 2.258 3.227 . 0 0 "[ . 1 . ]" 1
404 1 16 LYS HA 1 16 LYS HD3 . . 4.040 2.965 2.358 3.821 . 0 0 "[ . 1 . ]" 1
405 1 16 LYS HA 1 16 LYS HG2 . . 3.830 3.024 2.771 3.183 . 0 0 "[ . 1 . ]" 1
406 1 16 LYS HA 1 16 LYS QE . . 4.430 4.116 3.433 4.402 . 0 0 "[ . 1 . ]" 1
407 1 16 LYS HA 1 17 THR H . . 2.820 1.858 1.697 1.961 . 0 0 "[ . 1 . ]" 1
408 1 16 LYS HA 1 17 THR MG . . 4.580 4.217 3.695 4.724 0.144 6 0 "[ . 1 . ]" 1
409 1 16 LYS HB2 1 16 LYS HE3 . . 4.780 4.330 3.410 4.791 0.011 9 0 "[ . 1 . ]" 1
410 1 16 LYS HB2 1 17 THR H . . 3.870 4.021 3.953 4.056 0.186 14 0 "[ . 1 . ]" 1
411 1 16 LYS HB2 1 18 TYR QE . . 4.060 4.063 3.994 4.094 0.034 13 0 "[ . 1 . ]" 1
412 1 16 LYS HB3 1 18 TYR QD . . 5.370 3.932 3.749 4.069 . 0 0 "[ . 1 . ]" 1
413 1 16 LYS HB3 1 18 TYR QE . . 4.110 2.784 2.582 3.045 . 0 0 "[ . 1 . ]" 1
414 1 16 LYS HD2 1 17 THR H . . 5.120 3.978 3.309 4.520 . 0 0 "[ . 1 . ]" 1
415 1 16 LYS HD2 1 18 TYR QE . . 5.500 3.153 2.751 3.917 . 0 0 "[ . 1 . ]" 1
416 1 16 LYS HD3 1 18 TYR QE . . 5.500 4.504 4.139 4.993 . 0 0 "[ . 1 . ]" 1
417 1 16 LYS HE3 1 18 TYR QE . . 5.500 3.795 2.086 5.055 . 0 0 "[ . 1 . ]" 1
418 1 16 LYS HE3 1 35 LEU MD2 . . 5.500 4.026 3.336 4.274 . 0 0 "[ . 1 . ]" 1
419 1 16 LYS HE3 1 16 LYS HG2 . . 3.990 3.477 3.118 3.908 . 0 0 "[ . 1 . ]" 1
420 1 16 LYS HG2 1 18 TYR QE . . 5.070 5.105 5.048 5.147 0.077 3 0 "[ . 1 . ]" 1
421 1 16 LYS HG2 1 35 LEU MD2 . . 4.990 4.046 3.741 4.843 . 0 0 "[ . 1 . ]" 1
422 1 16 LYS QE 1 16 LYS HG3 . . 3.610 2.233 2.138 2.307 . 0 0 "[ . 1 . ]" 1
423 1 16 LYS HG3 1 17 THR H . . 5.320 5.328 5.117 5.425 0.105 16 0 "[ . 1 . ]" 1
424 1 16 LYS QE 1 35 LEU MD2 . . 3.900 3.755 3.225 3.950 0.050 9 0 "[ . 1 . ]" 1
425 1 17 THR H 1 17 THR HB . . 3.240 2.840 2.195 3.249 0.009 7 0 "[ . 1 . ]" 1
426 1 17 THR H 1 17 THR MG . . 4.560 2.837 2.349 3.679 . 0 0 "[ . 1 . ]" 1
427 1 17 THR H 1 18 TYR QD . . 5.180 3.732 3.163 4.048 . 0 0 "[ . 1 . ]" 1
428 1 17 THR HA 1 17 THR MG . . 3.480 3.073 2.354 3.239 . 0 0 "[ . 1 . ]" 1
429 1 17 THR HA 1 18 TYR H . . 2.970 2.077 2.020 2.187 . 0 0 "[ . 1 . ]" 1
430 1 17 THR HA 1 18 TYR QD . . 4.840 4.161 3.975 4.375 . 0 0 "[ . 1 . ]" 1
431 1 17 THR HB 1 18 TYR H . . 4.810 4.325 4.074 4.552 . 0 0 "[ . 1 . ]" 1
432 1 17 THR MG 1 18 TYR H . . 3.880 3.802 3.452 3.937 0.057 7 0 "[ . 1 . ]" 1
433 1 17 THR MG 1 18 TYR HA . . 5.010 4.361 4.222 4.532 . 0 0 "[ . 1 . ]" 1
434 1 18 TYR H 1 18 TYR HB3 . . 3.990 3.657 3.589 3.704 . 0 0 "[ . 1 . ]" 1
435 1 18 TYR H 1 18 TYR QD . . 4.050 3.553 3.316 3.682 . 0 0 "[ . 1 . ]" 1
436 1 18 TYR HA 1 18 TYR QD . . 3.370 2.116 2.066 2.208 . 0 0 "[ . 1 . ]" 1
437 1 18 TYR HA 1 18 TYR QE . . 4.380 4.424 4.400 4.442 0.062 4 0 "[ . 1 . ]" 1
438 1 18 TYR HB2 1 20 VAL MG1 . . 3.440 3.461 3.406 3.499 0.059 3 0 "[ . 1 . ]" 1
439 1 18 TYR HB2 1 29 ILE MG . . 5.070 3.583 3.445 3.756 . 0 0 "[ . 1 . ]" 1
440 1 18 TYR HB3 1 20 VAL MG1 . . 3.930 3.289 2.978 3.441 . 0 0 "[ . 1 . ]" 1
441 1 18 TYR QD 1 20 VAL MG1 . . 4.710 4.409 4.184 4.602 . 0 0 "[ . 1 . ]" 1
442 1 18 TYR QD 1 29 ILE MG . . 3.940 3.060 2.816 3.241 . 0 0 "[ . 1 . ]" 1
443 1 18 TYR QD 1 33 HIS H . . 5.200 5.242 5.173 5.285 0.085 2 0 "[ . 1 . ]" 1
444 1 18 TYR QD 1 33 HIS HB2 . . 5.500 3.219 3.151 3.337 . 0 0 "[ . 1 . ]" 1
445 1 18 TYR QD 1 33 HIS HB3 . . 5.500 2.915 2.649 3.333 . 0 0 "[ . 1 . ]" 1
446 1 18 TYR QD 1 35 LEU MD1 . . 4.690 3.477 3.053 3.823 . 0 0 "[ . 1 . ]" 1
447 1 18 TYR QD 1 35 LEU MD2 . . 5.500 3.513 3.189 3.957 . 0 0 "[ . 1 . ]" 1
448 1 18 TYR QE 1 33 HIS H . . 5.500 5.357 5.087 5.530 0.030 8 0 "[ . 1 . ]" 1
449 1 18 TYR QE 1 33 HIS HA . . 5.390 4.969 4.723 5.336 . 0 0 "[ . 1 . ]" 1
450 1 18 TYR QE 1 33 HIS HB2 . . 4.560 3.915 3.488 4.206 . 0 0 "[ . 1 . ]" 1
451 1 18 TYR QE 1 33 HIS HB3 . . 4.370 2.546 2.304 2.944 . 0 0 "[ . 1 . ]" 1
452 1 18 TYR QE 1 35 LEU HG . . 4.520 2.388 2.105 2.611 . 0 0 "[ . 1 . ]" 1
453 1 18 TYR QE 1 35 LEU MD1 . . 4.130 3.356 2.628 3.688 . 0 0 "[ . 1 . ]" 1
454 1 18 TYR QE 1 35 LEU MD2 . . 4.230 2.249 2.134 2.409 . 0 0 "[ . 1 . ]" 1
455 1 20 VAL H 1 20 VAL MG1 . . 4.220 3.037 2.948 3.143 . 0 0 "[ . 1 . ]" 1
456 1 20 VAL H 1 20 VAL MG2 . . 3.630 2.195 2.081 2.365 . 0 0 "[ . 1 . ]" 1
457 1 20 VAL H 1 29 ILE MD . . 5.500 5.553 5.539 5.572 0.072 12 0 "[ . 1 . ]" 1
458 1 20 VAL HA 1 20 VAL MG1 . . 3.530 2.379 2.321 2.465 . 0 0 "[ . 1 . ]" 1
459 1 20 VAL HA 1 21 CYS H . . 3.320 2.484 2.272 2.703 . 0 0 "[ . 1 . ]" 1
460 1 20 VAL HA 1 21 CYS HB2 . . 4.140 4.180 4.152 4.220 0.080 8 0 "[ . 1 . ]" 1
461 1 20 VAL HA 1 24 GLU QB . . 5.500 5.029 4.633 5.334 . 0 0 "[ . 1 . ]" 1
462 1 20 VAL HB 1 21 CYS H . . 3.180 2.160 1.895 2.371 . 0 0 "[ . 1 . ]" 1
463 1 20 VAL HB 1 24 GLU H . . 5.500 5.083 4.859 5.321 . 0 0 "[ . 1 . ]" 1
464 1 20 VAL HB 1 29 ILE HG12 . . 4.880 3.551 3.235 3.763 . 0 0 "[ . 1 . ]" 1
465 1 20 VAL HB 1 29 ILE MG . . 5.500 3.938 3.794 4.063 . 0 0 "[ . 1 . ]" 1
466 1 20 VAL MG1 1 21 CYS H . . 4.550 3.576 3.474 3.666 . 0 0 "[ . 1 . ]" 1
467 1 20 VAL MG1 1 29 ILE HG13 . . 4.000 3.911 3.732 4.019 0.019 2 0 "[ . 1 . ]" 1
468 1 20 VAL MG2 1 21 CYS H . . 4.480 3.234 2.833 3.530 . 0 0 "[ . 1 . ]" 1
469 1 20 VAL MG2 1 21 CYS HA . . 4.730 3.959 3.591 4.212 . 0 0 "[ . 1 . ]" 1
470 1 20 VAL MG2 1 21 CYS HB2 . . 5.500 5.090 4.806 5.403 . 0 0 "[ . 1 . ]" 1
471 1 20 VAL MG2 1 21 CYS HB3 . . 5.500 5.361 5.069 5.532 0.032 14 0 "[ . 1 . ]" 1
472 1 20 VAL MG2 1 22 GLU HA . . 5.410 4.849 4.284 5.084 . 0 0 "[ . 1 . ]" 1
473 1 20 VAL MG2 1 29 ILE MD . . 3.220 2.416 2.253 2.527 . 0 0 "[ . 1 . ]" 1
474 1 20 VAL MG2 1 91 MET H . . 5.320 5.070 4.929 5.331 0.011 16 0 "[ . 1 . ]" 1
475 1 20 VAL MG2 1 91 MET HG2 . . 4.120 3.355 3.221 3.445 . 0 0 "[ . 1 . ]" 1
476 1 20 VAL MG2 1 91 MET HG3 . . 4.280 2.087 1.963 2.272 . 0 0 "[ . 1 . ]" 1
477 1 20 VAL MG2 1 91 MET QB . . 5.370 3.188 3.042 3.416 . 0 0 "[ . 1 . ]" 1
478 1 21 CYS H 1 21 CYS HB3 . . 3.900 3.072 2.624 3.687 . 0 0 "[ . 1 . ]" 1
479 1 21 CYS H 1 24 GLU H . . 5.240 4.744 4.300 5.241 0.001 17 0 "[ . 1 . ]" 1
480 1 21 CYS H 1 24 GLU QB . . 5.040 3.632 3.197 4.180 . 0 0 "[ . 1 . ]" 1
481 1 21 CYS HA 1 22 GLU H . . 3.070 2.361 2.243 2.486 . 0 0 "[ . 1 . ]" 1
482 1 21 CYS HA 1 22 GLU HA . . 5.120 4.388 4.288 4.513 . 0 0 "[ . 1 . ]" 1
483 1 21 CYS HA 1 22 GLU QB . . 5.010 4.021 3.851 4.143 . 0 0 "[ . 1 . ]" 1
484 1 21 CYS HB2 1 22 GLU H . . 3.880 3.904 3.772 3.947 0.067 2 0 "[ . 1 . ]" 1
485 1 21 CYS HB2 1 24 GLU HG3 . . 4.870 3.842 2.455 4.877 0.007 16 0 "[ . 1 . ]" 1
486 1 21 CYS HB3 1 22 GLU H . . 4.260 3.051 2.455 3.602 . 0 0 "[ . 1 . ]" 1
487 1 21 CYS HB3 1 22 GLU QB . . 4.690 4.445 3.849 4.709 0.019 2 0 "[ . 1 . ]" 1
488 1 21 CYS HB3 1 24 GLU H . . 5.500 4.651 4.228 5.295 . 0 0 "[ . 1 . ]" 1
489 1 21 CYS HB3 1 24 GLU HG3 . . 4.560 3.659 2.692 4.578 0.018 4 0 "[ . 1 . ]" 1
490 1 22 GLU H 1 22 GLU HG3 . . 4.090 4.110 3.690 4.214 0.124 15 0 "[ . 1 . ]" 1
491 1 22 GLU H 1 22 GLU QB . . 3.060 2.084 1.945 2.430 . 0 0 "[ . 1 . ]" 1
492 1 22 GLU H 1 23 GLY H . . 5.020 4.683 4.639 4.748 . 0 0 "[ . 1 . ]" 1
493 1 22 GLU H 1 24 GLU H . . 5.390 4.798 4.619 4.941 . 0 0 "[ . 1 . ]" 1
494 1 22 GLU HA 1 22 GLU HG2 . . 4.070 2.991 2.560 4.112 0.042 4 0 "[ . 1 . ]" 1
495 1 22 GLU HA 1 22 GLU QG . . 3.810 2.539 2.209 3.438 . 0 0 "[ . 1 . ]" 1
496 1 22 GLU HA 1 23 GLY H . . 2.890 2.282 2.190 2.382 . 0 0 "[ . 1 . ]" 1
497 1 22 GLU HA 1 91 MET HG2 . . 4.550 4.572 4.493 4.622 0.072 8 0 "[ . 1 . ]" 1
498 1 22 GLU HA 1 91 MET QB . . 3.970 2.158 2.024 2.243 . 0 0 "[ . 1 . ]" 1
499 1 22 GLU HA 1 92 SER H . . 5.500 4.454 4.141 4.782 . 0 0 "[ . 1 . ]" 1
500 1 22 GLU HA 1 92 SER HA . . 4.420 3.822 3.392 4.209 . 0 0 "[ . 1 . ]" 1
501 1 22 GLU HG2 1 23 GLY H . . 4.640 2.863 2.219 4.659 0.019 18 0 "[ . 1 . ]" 1
502 1 22 GLU HG2 1 92 SER HA . . 4.310 3.115 2.165 4.134 . 0 0 "[ . 1 . ]" 1
503 1 22 GLU HG2 1 92 SER HB3 . . 5.500 4.731 4.096 5.502 0.002 17 0 "[ . 1 . ]" 1
504 1 22 GLU HG3 1 92 SER HA . . 4.600 2.583 2.036 4.591 . 0 0 "[ . 1 . ]" 1
505 1 22 GLU QB 1 23 GLY H . . 4.350 3.593 2.656 3.898 . 0 0 "[ . 1 . ]" 1
506 1 22 GLU QB 1 92 SER H . . 5.500 5.255 3.799 5.530 0.030 1 0 "[ . 1 . ]" 1
507 1 22 GLU QG 1 92 SER HA . . 4.100 2.311 2.000 3.596 . 0 0 "[ . 1 . ]" 1
508 1 23 GLY H 1 24 GLU H . . 3.870 2.895 2.668 2.998 . 0 0 "[ . 1 . ]" 1
509 1 23 GLY H 1 90 LYS HB3 . . 4.910 4.960 4.935 4.998 0.088 16 0 "[ . 1 . ]" 1
510 1 23 GLY H 1 90 LYS QD . . 4.750 3.215 2.430 4.098 . 0 0 "[ . 1 . ]" 1
511 1 23 GLY H 1 91 MET H . . 4.370 3.445 3.214 3.631 . 0 0 "[ . 1 . ]" 1
512 1 23 GLY H 1 91 MET HG2 . . 5.500 4.570 4.257 4.825 . 0 0 "[ . 1 . ]" 1
513 1 23 GLY H 1 91 MET QB . . 3.810 2.737 2.438 3.030 . 0 0 "[ . 1 . ]" 1
514 1 23 GLY H 1 92 SER H . . 5.500 4.829 4.724 4.958 . 0 0 "[ . 1 . ]" 1
515 1 23 GLY H 1 92 SER HA . . 5.080 4.017 3.718 4.260 . 0 0 "[ . 1 . ]" 1
516 1 23 GLY QA 1 90 LYS HB3 . . 4.420 3.835 3.523 4.280 . 0 0 "[ . 1 . ]" 1
517 1 23 GLY QA 1 90 LYS HG2 . . 5.500 3.203 2.680 3.949 . 0 0 "[ . 1 . ]" 1
518 1 23 GLY QA 1 90 LYS QD . . 4.050 2.805 2.285 4.165 0.115 4 0 "[ . 1 . ]" 1
519 1 23 GLY QA 1 90 LYS QE . . 3.430 3.318 2.099 3.448 0.018 12 0 "[ . 1 . ]" 1
520 1 23 GLY QA 1 91 MET H . . 4.640 4.095 3.827 4.370 . 0 0 "[ . 1 . ]" 1
521 1 24 GLU H 1 24 GLU HG3 . . 3.490 3.173 2.318 3.552 0.062 16 0 "[ . 1 . ]" 1
522 1 24 GLU H 1 24 GLU QB . . 3.090 2.467 2.344 2.596 . 0 0 "[ . 1 . ]" 1
523 1 24 GLU H 1 25 THR H . . 4.710 4.632 4.601 4.665 . 0 0 "[ . 1 . ]" 1
524 1 24 GLU H 1 29 ILE MD . . 5.500 4.547 4.368 4.705 . 0 0 "[ . 1 . ]" 1
525 1 24 GLU H 1 91 MET H . . 4.390 3.513 3.194 3.735 . 0 0 "[ . 1 . ]" 1
526 1 24 GLU H 1 91 MET HG2 . . 5.360 3.615 3.324 4.165 . 0 0 "[ . 1 . ]" 1
527 1 24 GLU H 1 91 MET QB . . 4.190 2.921 2.639 3.173 . 0 0 "[ . 1 . ]" 1
528 1 24 GLU HA 1 24 GLU HG2 . . 4.060 2.837 2.247 3.235 . 0 0 "[ . 1 . ]" 1
529 1 24 GLU HA 1 25 THR H . . 2.950 2.181 2.127 2.242 . 0 0 "[ . 1 . ]" 1
530 1 24 GLU HA 1 25 THR HA . . 4.630 4.393 4.254 4.462 . 0 0 "[ . 1 . ]" 1
531 1 24 GLU QB 1 24 GLU HG2 . . 2.400 2.412 2.390 2.439 0.039 12 0 "[ . 1 . ]" 1
532 1 24 GLU QB 1 25 THR H . . 3.760 2.963 2.592 3.189 . 0 0 "[ . 1 . ]" 1
533 1 24 GLU QB 1 28 ASP HB2 . . 5.170 4.195 3.733 4.498 . 0 0 "[ . 1 . ]" 1
534 1 24 GLU QB 1 28 ASP HB3 . . 5.500 4.416 3.958 4.870 . 0 0 "[ . 1 . ]" 1
535 1 24 GLU QB 1 29 ILE H . . 4.700 4.540 4.272 4.682 . 0 0 "[ . 1 . ]" 1
536 1 24 GLU QB 1 29 ILE HA . . 4.760 4.697 4.339 4.804 0.044 8 0 "[ . 1 . ]" 1
537 1 24 GLU QB 1 29 ILE HG12 . . 4.970 2.567 2.360 2.839 . 0 0 "[ . 1 . ]" 1
538 1 24 GLU QB 1 29 ILE MD . . 4.620 2.336 2.225 2.602 . 0 0 "[ . 1 . ]" 1
539 1 24 GLU QB 1 91 MET H . . 5.500 3.751 3.490 4.011 . 0 0 "[ . 1 . ]" 1
540 1 25 THR H 1 25 THR MG . . 3.750 3.649 3.540 3.763 0.013 6 0 "[ . 1 . ]" 1
541 1 25 THR H 1 26 ILE H . . 4.610 4.633 4.600 4.655 0.045 19 0 "[ . 1 . ]" 1
542 1 25 THR H 1 28 ASP H . . 5.000 4.278 3.979 4.620 . 0 0 "[ . 1 . ]" 1
543 1 25 THR H 1 28 ASP HA . . 5.500 5.404 5.169 5.519 0.019 1 0 "[ . 1 . ]" 1
544 1 25 THR H 1 28 ASP HB2 . . 4.160 2.415 2.146 2.630 . 0 0 "[ . 1 . ]" 1
545 1 25 THR H 1 28 ASP HB3 . . 3.690 3.400 3.254 3.555 . 0 0 "[ . 1 . ]" 1
546 1 25 THR H 1 29 ILE H . . 5.380 4.391 4.076 4.606 . 0 0 "[ . 1 . ]" 1
547 1 25 THR H 1 29 ILE MD . . 5.040 4.076 3.700 4.384 . 0 0 "[ . 1 . ]" 1
548 1 25 THR H 1 91 MET H . . 5.500 5.047 4.978 5.114 . 0 0 "[ . 1 . ]" 1
549 1 25 THR HA 1 26 ILE H . . 3.430 2.307 2.263 2.397 . 0 0 "[ . 1 . ]" 1
550 1 25 THR HA 1 26 ILE HA . . 5.100 4.281 4.160 4.479 . 0 0 "[ . 1 . ]" 1
551 1 25 THR HA 1 26 ILE HB . . 4.760 4.696 4.416 4.809 0.049 6 0 "[ . 1 . ]" 1
552 1 25 THR HA 1 26 ILE MD . . 5.250 3.679 2.815 4.240 . 0 0 "[ . 1 . ]" 1
553 1 25 THR HA 1 26 ILE MG . . 5.500 5.505 5.421 5.554 0.054 3 0 "[ . 1 . ]" 1
554 1 25 THR HA 1 29 ILE MD . . 5.500 4.172 4.008 4.362 . 0 0 "[ . 1 . ]" 1
555 1 25 THR HA 1 90 LYS H . . 5.230 4.846 4.570 5.214 . 0 0 "[ . 1 . ]" 1
556 1 25 THR HA 1 90 LYS HA . . 3.040 2.424 2.253 2.669 . 0 0 "[ . 1 . ]" 1
557 1 25 THR HA 1 90 LYS HB2 . . 4.700 3.803 3.521 3.944 . 0 0 "[ . 1 . ]" 1
558 1 25 THR HA 1 90 LYS HB3 . . 4.920 2.664 2.296 3.162 . 0 0 "[ . 1 . ]" 1
559 1 25 THR HA 1 90 LYS QD . . 5.500 5.419 5.101 5.552 0.052 16 0 "[ . 1 . ]" 1
560 1 25 THR HA 1 91 MET H . . 4.050 3.964 3.830 4.081 0.031 15 0 "[ . 1 . ]" 1
561 1 25 THR HB 1 26 ILE H . . 4.020 3.414 3.035 3.748 . 0 0 "[ . 1 . ]" 1
562 1 25 THR HB 1 26 ILE MD . . 5.500 5.348 4.794 5.561 0.061 13 0 "[ . 1 . ]" 1
563 1 25 THR HB 1 28 ASP HB2 . . 3.770 2.285 2.227 2.378 . 0 0 "[ . 1 . ]" 1
564 1 25 THR HB 1 28 ASP HB3 . . 3.800 3.863 3.813 3.891 0.091 14 0 "[ . 1 . ]" 1
565 1 25 THR HB 1 29 ILE H . . 5.270 4.232 4.026 4.429 . 0 0 "[ . 1 . ]" 1
566 1 25 THR MG 1 26 ILE H . . 5.030 2.409 2.117 2.761 . 0 0 "[ . 1 . ]" 1
567 1 25 THR MG 1 28 ASP H . . 4.970 3.734 3.359 4.225 . 0 0 "[ . 1 . ]" 1
568 1 25 THR MG 1 90 LYS HA . . 3.890 3.569 3.227 3.869 . 0 0 "[ . 1 . ]" 1
569 1 26 ILE H 1 26 ILE HB . . 3.730 2.405 2.112 2.534 . 0 0 "[ . 1 . ]" 1
570 1 26 ILE H 1 26 ILE HG12 . . 4.690 3.056 1.960 4.030 . 0 0 "[ . 1 . ]" 1
571 1 26 ILE H 1 26 ILE HG13 . . 4.080 3.580 2.408 4.111 0.031 4 0 "[ . 1 . ]" 1
572 1 26 ILE H 1 26 ILE MD . . 4.300 2.711 2.024 3.278 . 0 0 "[ . 1 . ]" 1
573 1 26 ILE H 1 29 ILE MD . . 5.500 4.251 4.142 4.420 . 0 0 "[ . 1 . ]" 1
574 1 26 ILE H 1 89 ILE H . . 5.500 4.440 3.861 5.124 . 0 0 "[ . 1 . ]" 1
575 1 26 ILE H 1 90 LYS HA . . 4.660 3.527 3.041 3.788 . 0 0 "[ . 1 . ]" 1
576 1 26 ILE H 1 91 MET H . . 5.500 5.432 5.138 5.528 0.028 15 0 "[ . 1 . ]" 1
577 1 26 ILE HA 1 100 VAL MG2 . . 5.500 4.629 4.408 4.831 . 0 0 "[ . 1 . ]" 1
578 1 26 ILE HA 1 26 ILE HG12 . . 3.630 3.311 2.705 3.641 0.011 3 0 "[ . 1 . ]" 1
579 1 26 ILE HA 1 26 ILE HG13 . . 4.030 3.071 2.331 3.803 . 0 0 "[ . 1 . ]" 1
580 1 26 ILE HA 1 26 ILE MD . . 4.100 2.494 2.110 3.764 . 0 0 "[ . 1 . ]" 1
581 1 26 ILE HA 1 26 ILE MG . . 3.630 2.499 2.345 2.881 . 0 0 "[ . 1 . ]" 1
582 1 26 ILE HA 1 29 ILE H . . 4.130 3.315 3.150 3.449 . 0 0 "[ . 1 . ]" 1
583 1 26 ILE HA 1 29 ILE HB . . 3.500 3.447 3.343 3.511 0.011 4 0 "[ . 1 . ]" 1
584 1 26 ILE HA 1 29 ILE HG12 . . 5.110 5.104 4.972 5.154 0.044 14 0 "[ . 1 . ]" 1
585 1 26 ILE HA 1 29 ILE MD . . 3.560 2.576 2.345 2.878 . 0 0 "[ . 1 . ]" 1
586 1 26 ILE HB 1 28 ASP H . . 5.500 5.060 4.719 5.395 . 0 0 "[ . 1 . ]" 1
587 1 26 ILE HG13 1 100 VAL MG2 . . 5.380 3.713 2.638 4.972 . 0 0 "[ . 1 . ]" 1
588 1 26 ILE MD 1 100 VAL MG2 . . 4.730 3.532 2.784 4.561 . 0 0 "[ . 1 . ]" 1
589 1 26 ILE MD 1 90 LYS HA . . 5.140 3.222 2.361 4.093 . 0 0 "[ . 1 . ]" 1
590 1 26 ILE MD 1 91 MET H . . 5.470 4.239 3.660 4.957 . 0 0 "[ . 1 . ]" 1
591 1 26 ILE MD 1 91 MET HG2 . . 5.260 4.101 3.536 5.276 0.016 1 0 "[ . 1 . ]" 1
592 1 26 ILE MG 1 100 VAL MG2 . . 4.120 2.324 2.004 3.171 . 0 0 "[ . 1 . ]" 1
593 1 26 ILE MD 1 26 ILE MG . . 3.930 2.647 2.112 3.292 . 0 0 "[ . 1 . ]" 1
594 1 26 ILE MG 1 28 ASP H . . 5.500 4.934 4.659 5.240 . 0 0 "[ . 1 . ]" 1
595 1 28 ASP H 1 28 ASP HB3 . . 3.710 3.541 3.460 3.594 . 0 0 "[ . 1 . ]" 1
596 1 28 ASP H 1 29 ILE H . . 4.070 2.770 2.635 2.905 . 0 0 "[ . 1 . ]" 1
597 1 28 ASP H 1 29 ILE HA . . 5.500 5.410 5.310 5.508 0.008 19 0 "[ . 1 . ]" 1
598 1 28 ASP H 1 29 ILE HG13 . . 5.500 4.517 4.283 4.825 . 0 0 "[ . 1 . ]" 1
599 1 28 ASP H 1 30 ALA H . . 4.390 4.140 3.939 4.355 . 0 0 "[ . 1 . ]" 1
600 1 28 ASP HA 1 31 GLN H . . 4.130 3.771 3.501 4.106 . 0 0 "[ . 1 . ]" 1
601 1 28 ASP HA 1 31 GLN HB2 . . 3.980 3.328 2.693 3.998 0.018 1 0 "[ . 1 . ]" 1
602 1 28 ASP HB2 1 29 ILE H . . 4.080 2.997 2.877 3.114 . 0 0 "[ . 1 . ]" 1
603 1 28 ASP HB2 1 29 ILE HA . . 4.870 4.880 4.753 4.917 0.047 5 0 "[ . 1 . ]" 1
604 1 28 ASP HB2 1 29 ILE HG13 . . 5.500 3.593 3.424 3.744 . 0 0 "[ . 1 . ]" 1
605 1 28 ASP HB2 1 29 ILE MD . . 4.640 4.682 4.659 4.704 0.064 13 0 "[ . 1 . ]" 1
606 1 28 ASP HB3 1 29 ILE H . . 3.850 3.707 3.405 3.867 0.017 4 0 "[ . 1 . ]" 1
607 1 28 ASP HB3 1 29 ILE HA . . 5.050 4.528 4.270 4.734 . 0 0 "[ . 1 . ]" 1
608 1 28 ASP HB3 1 29 ILE HG13 . . 4.590 4.148 3.821 4.349 . 0 0 "[ . 1 . ]" 1
609 1 29 ILE H 1 29 ILE HB . . 2.960 2.920 2.853 2.984 0.024 4 0 "[ . 1 . ]" 1
610 1 29 ILE H 1 29 ILE HG12 . . 4.000 3.740 3.547 3.849 . 0 0 "[ . 1 . ]" 1
611 1 29 ILE H 1 29 ILE HG13 . . 3.180 2.312 2.167 2.425 . 0 0 "[ . 1 . ]" 1
612 1 29 ILE H 1 29 ILE MD . . 4.120 3.395 3.255 3.566 . 0 0 "[ . 1 . ]" 1
613 1 29 ILE H 1 29 ILE MG . . 4.640 3.881 3.849 3.897 . 0 0 "[ . 1 . ]" 1
614 1 29 ILE H 1 30 ALA H . . 2.530 2.503 2.428 2.557 0.027 7 0 "[ . 1 . ]" 1
615 1 29 ILE HA 1 29 ILE HG12 . . 3.590 2.969 2.914 3.042 . 0 0 "[ . 1 . ]" 1
616 1 29 ILE HA 1 29 ILE HG13 . . 3.420 3.023 2.924 3.168 . 0 0 "[ . 1 . ]" 1
617 1 29 ILE HA 1 29 ILE MD . . 4.390 4.036 4.009 4.061 . 0 0 "[ . 1 . ]" 1
618 1 29 ILE HA 1 29 ILE MG . . 3.440 2.131 2.085 2.178 . 0 0 "[ . 1 . ]" 1
619 1 29 ILE HA 1 30 ALA HA . . 4.870 4.687 4.645 4.735 . 0 0 "[ . 1 . ]" 1
620 1 29 ILE HA 1 31 GLN H . . 4.910 4.553 4.380 4.809 . 0 0 "[ . 1 . ]" 1
621 1 29 ILE HA 1 33 HIS HB3 . . 4.910 4.996 4.977 5.014 0.104 11 0 "[ . 1 . ]" 1
622 1 29 ILE HB 1 30 ALA H . . 3.370 3.010 2.895 3.136 . 0 0 "[ . 1 . ]" 1
623 1 29 ILE HB 1 30 ALA HA . . 4.660 4.243 4.095 4.401 . 0 0 "[ . 1 . ]" 1
624 1 29 ILE HB 1 35 LEU MD1 . . 5.500 4.294 4.117 4.478 . 0 0 "[ . 1 . ]" 1
625 1 29 ILE MD 1 91 MET H . . 5.180 3.940 3.618 4.420 . 0 0 "[ . 1 . ]" 1
626 1 29 ILE MD 1 91 MET HG2 . . 4.080 2.438 2.136 2.690 . 0 0 "[ . 1 . ]" 1
627 1 29 ILE MD 1 91 MET HG3 . . 3.980 2.836 2.489 3.066 . 0 0 "[ . 1 . ]" 1
628 1 29 ILE HG13 1 29 ILE MG . . 3.550 3.114 3.075 3.152 . 0 0 "[ . 1 . ]" 1
629 1 29 ILE MD 1 29 ILE MG . . 3.230 2.427 2.348 2.501 . 0 0 "[ . 1 . ]" 1
630 1 29 ILE MG 1 30 ALA H . . 4.110 3.937 3.859 4.004 . 0 0 "[ . 1 . ]" 1
631 1 29 ILE MG 1 30 ALA HA . . 4.470 3.926 3.765 4.061 . 0 0 "[ . 1 . ]" 1
632 1 29 ILE MG 1 31 GLN H . . 5.500 5.347 5.209 5.519 0.019 2 0 "[ . 1 . ]" 1
633 1 29 ILE MG 1 33 HIS H . . 3.840 3.506 3.313 3.706 . 0 0 "[ . 1 . ]" 1
634 1 29 ILE MG 1 34 ASN H . . 5.500 5.395 5.193 5.520 0.020 11 0 "[ . 1 . ]" 1
635 1 29 ILE MG 1 35 LEU MD1 . . 4.860 3.766 3.395 3.995 . 0 0 "[ . 1 . ]" 1
636 1 30 ALA H 1 30 ALA MB . . 3.370 2.227 2.207 2.251 . 0 0 "[ . 1 . ]" 1
637 1 30 ALA H 1 31 GLN H . . 3.770 2.872 2.812 2.971 . 0 0 "[ . 1 . ]" 1
638 1 30 ALA H 1 31 GLN HA . . 5.500 5.510 5.495 5.523 0.023 7 0 "[ . 1 . ]" 1
639 1 30 ALA H 1 31 GLN HB2 . . 5.500 4.992 4.729 5.287 . 0 0 "[ . 1 . ]" 1
640 1 30 ALA H 1 35 LEU MD1 . . 5.460 3.962 3.846 4.182 . 0 0 "[ . 1 . ]" 1
641 1 30 ALA HA 1 102 LEU QD . . 5.500 3.882 3.507 4.530 . 0 0 "[ . 1 . ]" 1
642 1 30 ALA HA 1 31 GLN HA . . 5.500 4.759 4.655 4.812 . 0 0 "[ . 1 . ]" 1
643 1 30 ALA HA 1 32 GLY H . . 5.220 4.627 4.352 4.996 . 0 0 "[ . 1 . ]" 1
644 1 30 ALA HA 1 33 HIS H . . 4.120 3.957 3.852 4.042 . 0 0 "[ . 1 . ]" 1
645 1 30 ALA HA 1 33 HIS HB2 . . 4.450 4.300 4.059 4.484 0.034 2 0 "[ . 1 . ]" 1
646 1 30 ALA HA 1 33 HIS HB3 . . 3.960 3.976 3.811 4.011 0.051 14 0 "[ . 1 . ]" 1
647 1 30 ALA HA 1 34 ASN H . . 5.500 4.731 4.489 4.928 . 0 0 "[ . 1 . ]" 1
648 1 30 ALA HA 1 35 LEU H . . 4.110 3.445 3.240 3.707 . 0 0 "[ . 1 . ]" 1
649 1 30 ALA HA 1 35 LEU HB2 . . 4.030 2.893 2.437 3.308 . 0 0 "[ . 1 . ]" 1
650 1 30 ALA HA 1 35 LEU HB3 . . 4.740 4.304 3.934 4.596 . 0 0 "[ . 1 . ]" 1
651 1 30 ALA HA 1 35 LEU HG . . 3.890 3.052 2.905 3.653 . 0 0 "[ . 1 . ]" 1
652 1 30 ALA HA 1 35 LEU MD1 . . 3.460 1.956 1.918 2.013 . 0 0 "[ . 1 . ]" 1
653 1 30 ALA HA 1 35 LEU MD2 . . 4.840 4.283 4.155 4.547 . 0 0 "[ . 1 . ]" 1
654 1 30 ALA MB 1 31 GLN H . . 3.800 2.521 2.393 2.698 . 0 0 "[ . 1 . ]" 1
655 1 30 ALA MB 1 31 GLN HB2 . . 4.490 4.323 4.057 4.492 0.002 5 0 "[ . 1 . ]" 1
656 1 30 ALA MB 1 31 GLN HG2 . . 5.080 4.262 3.461 4.981 . 0 0 "[ . 1 . ]" 1
657 1 30 ALA MB 1 32 GLY H . . 5.400 4.556 4.298 4.823 . 0 0 "[ . 1 . ]" 1
658 1 30 ALA MB 1 35 LEU MD1 . . 3.980 2.388 2.204 3.013 . 0 0 "[ . 1 . ]" 1
659 1 31 GLN H 1 31 GLN HB2 . . 3.420 2.351 2.141 2.479 . 0 0 "[ . 1 . ]" 1
660 1 31 GLN H 1 31 GLN HG2 . . 3.760 3.572 2.743 3.803 0.043 16 0 "[ . 1 . ]" 1
661 1 31 GLN H 1 31 GLN HG3 . . 4.100 2.980 2.471 4.144 0.044 2 0 "[ . 1 . ]" 1
662 1 31 GLN H 1 32 GLY H . . 3.540 2.649 2.519 2.850 . 0 0 "[ . 1 . ]" 1
663 1 31 GLN H 1 32 GLY HA3 . . 5.080 4.946 4.823 5.096 0.016 12 0 "[ . 1 . ]" 1
664 1 31 GLN H 1 33 HIS H . . 4.810 4.213 4.069 4.517 . 0 0 "[ . 1 . ]" 1
665 1 31 GLN H 1 34 ASN H . . 5.500 4.783 4.533 4.993 . 0 0 "[ . 1 . ]" 1
666 1 31 GLN H 1 35 LEU H . . 5.500 5.155 5.053 5.293 . 0 0 "[ . 1 . ]" 1
667 1 31 GLN HA 1 31 GLN HE22 . . 5.500 5.135 3.496 5.592 0.092 7 0 "[ . 1 . ]" 1
668 1 31 GLN HA 1 31 GLN HG2 . . 4.250 2.581 2.211 3.748 . 0 0 "[ . 1 . ]" 1
669 1 31 GLN HA 1 31 GLN HG3 . . 3.290 3.140 2.629 3.472 0.182 10 0 "[ . 1 . ]" 1
670 1 31 GLN HA 1 33 HIS H . . 4.480 4.216 3.934 4.495 0.015 2 0 "[ . 1 . ]" 1
671 1 31 GLN HA 1 34 ASN H . . 3.960 3.183 2.822 3.412 . 0 0 "[ . 1 . ]" 1
672 1 31 GLN HA 1 34 ASN HA . . 4.280 3.028 2.701 3.291 . 0 0 "[ . 1 . ]" 1
673 1 31 GLN HA 1 34 ASN HD22 . . 4.090 4.175 4.122 4.225 0.135 3 0 "[ . 1 . ]" 1
674 1 31 GLN HA 1 35 LEU H . . 4.040 4.026 3.719 4.106 0.066 19 0 "[ . 1 . ]" 1
675 1 31 GLN HA 1 35 LEU HB2 . . 5.130 5.024 4.645 5.167 0.037 5 0 "[ . 1 . ]" 1
676 1 31 GLN HB2 1 31 GLN HE22 . . 5.500 4.563 3.718 5.472 . 0 0 "[ . 1 . ]" 1
677 1 31 GLN HB2 1 31 GLN HG3 . . 2.890 2.504 2.344 2.977 0.087 16 0 "[ . 1 . ]" 1
678 1 31 GLN HB2 1 32 GLY H . . 3.700 3.095 2.729 3.429 . 0 0 "[ . 1 . ]" 1
679 1 31 GLN HB3 1 31 GLN HE22 . . 5.500 4.130 3.543 5.219 . 0 0 "[ . 1 . ]" 1
680 1 31 GLN HB3 1 32 GLY H . . 4.090 3.767 3.235 4.075 . 0 0 "[ . 1 . ]" 1
681 1 31 GLN HB3 1 33 HIS H . . 5.500 5.552 5.416 5.613 0.113 18 0 "[ . 1 . ]" 1
682 1 31 GLN HG2 1 32 GLY H . . 5.190 5.145 4.726 5.264 0.074 16 0 "[ . 1 . ]" 1
683 1 31 GLN HG3 1 32 GLY H . . 5.380 4.901 4.593 5.278 . 0 0 "[ . 1 . ]" 1
684 1 32 GLY H 1 32 GLY HA3 . . 2.870 2.311 2.270 2.367 . 0 0 "[ . 1 . ]" 1
685 1 32 GLY H 1 33 HIS H . . 3.570 2.639 2.349 3.011 . 0 0 "[ . 1 . ]" 1
686 1 32 GLY H 1 34 ASN H . . 5.330 3.845 3.612 4.086 . 0 0 "[ . 1 . ]" 1
687 1 32 GLY HA2 1 34 ASN HD21 . . 4.760 4.366 4.192 4.538 . 0 0 "[ . 1 . ]" 1
688 1 32 GLY HA3 1 33 HIS H . . 3.510 2.956 2.841 3.144 . 0 0 "[ . 1 . ]" 1
689 1 32 GLY HA3 1 33 HIS HA . . 4.590 4.491 4.361 4.598 0.008 12 0 "[ . 1 . ]" 1
690 1 32 GLY HA3 1 34 ASN H . . 4.610 4.388 4.313 4.480 . 0 0 "[ . 1 . ]" 1
691 1 32 GLY HA3 1 34 ASN HD21 . . 5.500 5.565 5.510 5.613 0.113 13 0 "[ . 1 . ]" 1
692 1 32 GLY HA3 1 34 ASN HD22 . . 5.500 5.279 4.789 5.541 0.041 2 0 "[ . 1 . ]" 1
693 1 33 HIS H 1 33 HIS HB2 . . 3.310 2.246 2.115 2.455 . 0 0 "[ . 1 . ]" 1
694 1 33 HIS H 1 33 HIS HB3 . . 3.700 2.900 2.634 3.046 . 0 0 "[ . 1 . ]" 1
695 1 33 HIS H 1 34 ASN H . . 3.320 2.370 2.191 2.569 . 0 0 "[ . 1 . ]" 1
696 1 33 HIS H 1 34 ASN HD21 . . 5.080 4.675 4.497 4.853 . 0 0 "[ . 1 . ]" 1
697 1 33 HIS H 1 35 LEU H . . 4.240 3.896 3.675 4.025 . 0 0 "[ . 1 . ]" 1
698 1 33 HIS H 1 35 LEU HG . . 4.840 4.671 4.555 4.844 0.004 2 0 "[ . 1 . ]" 1
699 1 33 HIS H 1 35 LEU MD1 . . 4.880 4.884 4.392 4.933 0.053 18 0 "[ . 1 . ]" 1
700 1 33 HIS HA 1 34 ASN HB2 . . 5.500 4.558 4.175 4.874 . 0 0 "[ . 1 . ]" 1
701 1 33 HIS HA 1 34 ASN HD22 . . 5.500 5.276 4.791 5.530 0.030 11 0 "[ . 1 . ]" 1
702 1 33 HIS HA 1 35 LEU H . . 5.320 4.917 4.766 5.083 . 0 0 "[ . 1 . ]" 1
703 1 33 HIS HB2 1 34 ASN H . . 4.550 3.967 3.758 4.122 . 0 0 "[ . 1 . ]" 1
704 1 33 HIS HB2 1 35 LEU H . . 4.390 4.523 4.486 4.549 0.159 9 0 "[ . 1 . ]" 1
705 1 33 HIS HB2 1 35 LEU HG . . 4.400 4.090 3.898 4.254 . 0 0 "[ . 1 . ]" 1
706 1 33 HIS HB2 1 35 LEU MD1 . . 4.970 4.374 3.810 4.615 . 0 0 "[ . 1 . ]" 1
707 1 33 HIS HB2 1 35 LEU MD2 . . 5.500 5.086 4.883 5.294 . 0 0 "[ . 1 . ]" 1
708 1 33 HIS HB3 1 34 ASN H . . 5.340 3.639 3.321 3.860 . 0 0 "[ . 1 . ]" 1
709 1 33 HIS HB3 1 35 LEU H . . 5.400 3.339 2.985 3.565 . 0 0 "[ . 1 . ]" 1
710 1 33 HIS HB3 1 35 LEU HG . . 4.490 2.727 2.551 2.902 . 0 0 "[ . 1 . ]" 1
711 1 33 HIS HB3 1 35 LEU MD1 . . 4.620 3.719 3.147 3.906 . 0 0 "[ . 1 . ]" 1
712 1 33 HIS HB3 1 35 LEU MD2 . . 5.000 3.899 3.715 4.131 . 0 0 "[ . 1 . ]" 1
713 1 34 ASN H 1 34 ASN HA . . 2.770 2.246 2.221 2.276 . 0 0 "[ . 1 . ]" 1
714 1 34 ASN H 1 34 ASN HB2 . . 4.080 3.537 3.182 3.794 . 0 0 "[ . 1 . ]" 1
715 1 34 ASN H 1 34 ASN HB3 . . 4.080 3.958 3.865 4.043 . 0 0 "[ . 1 . ]" 1
716 1 34 ASN H 1 34 ASN HD21 . . 5.500 2.675 2.375 3.055 . 0 0 "[ . 1 . ]" 1
717 1 34 ASN H 1 35 LEU H . . 3.560 2.828 2.659 2.989 . 0 0 "[ . 1 . ]" 1
718 1 34 ASN H 1 35 LEU HG . . 5.100 4.752 4.533 5.079 . 0 0 "[ . 1 . ]" 1
719 1 34 ASN H 1 35 LEU MD1 . . 5.500 5.399 5.227 5.520 0.020 12 0 "[ . 1 . ]" 1
720 1 34 ASN HA 1 34 ASN HB3 . . 2.850 2.442 2.331 2.658 . 0 0 "[ . 1 . ]" 1
721 1 34 ASN HA 1 35 LEU H . . 3.350 2.586 2.456 2.699 . 0 0 "[ . 1 . ]" 1
722 1 34 ASN HB2 1 35 LEU H . . 4.330 4.376 4.348 4.422 0.092 1 0 "[ . 1 . ]" 1
723 1 34 ASN HB3 1 35 LEU H . . 5.280 4.470 4.393 4.554 . 0 0 "[ . 1 . ]" 1
724 1 35 LEU H 1 35 LEU HB2 . . 3.470 2.345 2.253 2.423 . 0 0 "[ . 1 . ]" 1
725 1 35 LEU H 1 35 LEU HB3 . . 3.910 3.626 3.561 3.686 . 0 0 "[ . 1 . ]" 1
726 1 35 LEU H 1 35 LEU HG . . 3.530 2.567 2.346 2.866 . 0 0 "[ . 1 . ]" 1
727 1 35 LEU H 1 35 LEU MD1 . . 4.450 3.629 3.532 3.737 . 0 0 "[ . 1 . ]" 1
728 1 35 LEU H 1 35 LEU MD2 . . 4.250 3.820 3.653 4.094 . 0 0 "[ . 1 . ]" 1
729 1 35 LEU H 1 36 ASP H . . 4.760 4.685 4.609 4.776 0.016 1 0 "[ . 1 . ]" 1
730 1 35 LEU HA 1 35 LEU HG . . 3.970 2.762 2.400 2.902 . 0 0 "[ . 1 . ]" 1
731 1 35 LEU HA 1 35 LEU MD1 . . 4.330 3.893 3.808 3.958 . 0 0 "[ . 1 . ]" 1
732 1 35 LEU HA 1 35 LEU MD2 . . 3.200 2.126 2.089 2.182 . 0 0 "[ . 1 . ]" 1
733 1 35 LEU HA 1 36 ASP H . . 3.110 2.186 2.091 2.335 . 0 0 "[ . 1 . ]" 1
734 1 35 LEU HB2 1 35 LEU MD1 . . 3.640 2.309 2.238 2.453 . 0 0 "[ . 1 . ]" 1
735 1 35 LEU HB2 1 36 ASP H . . 4.250 4.231 4.123 4.274 0.024 9 0 "[ . 1 . ]" 1
736 1 35 LEU HB3 1 35 LEU MD1 . . 3.550 2.611 2.507 2.712 . 0 0 "[ . 1 . ]" 1
737 1 35 LEU HB3 1 35 LEU MD2 . . 3.450 2.366 2.290 2.412 . 0 0 "[ . 1 . ]" 1
738 1 35 LEU HB3 1 36 ASP H . . 3.390 3.132 2.945 3.250 . 0 0 "[ . 1 . ]" 1
739 1 35 LEU HB3 1 36 ASP HB2 . . 5.500 5.426 5.060 5.555 0.055 8 0 "[ . 1 . ]" 1
740 1 35 LEU HB3 1 37 MET HB2 . . 3.680 3.771 3.709 3.801 0.121 10 0 "[ . 1 . ]" 1
741 1 35 LEU MD1 1 102 LEU MD1 . . 3.840 2.505 2.002 3.298 . 0 0 "[ . 1 . ]" 1
742 1 35 LEU MD1 1 102 LEU QD . . 3.840 2.301 1.942 3.105 . 0 0 "[ . 1 . ]" 1
743 1 35 LEU MD1 1 36 ASP H . . 5.030 4.921 4.770 5.052 0.022 12 0 "[ . 1 . ]" 1
744 1 35 LEU MD1 1 37 MET HB3 . . 5.500 4.278 3.791 5.547 0.047 18 0 "[ . 1 . ]" 1
745 1 35 LEU MD2 1 36 ASP H . . 4.330 3.089 2.598 3.255 . 0 0 "[ . 1 . ]" 1
746 1 35 LEU MD2 1 36 ASP HA . . 5.500 5.407 5.076 5.543 0.043 8 0 "[ . 1 . ]" 1
747 1 36 ASP H 1 36 ASP HB2 . . 3.360 2.479 2.263 2.693 . 0 0 "[ . 1 . ]" 1
748 1 36 ASP H 1 36 ASP HB3 . . 3.500 2.790 2.390 3.560 0.060 12 0 "[ . 1 . ]" 1
749 1 36 ASP H 1 37 MET H . . 4.240 3.924 3.649 4.240 0.000 10 0 "[ . 1 . ]" 1
750 1 36 ASP HA 1 37 MET H . . 2.800 2.211 2.088 2.336 . 0 0 "[ . 1 . ]" 1
751 1 36 ASP HA 1 37 MET QG . . 4.190 4.152 3.798 4.237 0.047 2 0 "[ . 1 . ]" 1
752 1 36 ASP HB2 1 37 MET H . . 4.510 4.507 4.452 4.541 0.031 18 0 "[ . 1 . ]" 1
753 1 36 ASP HB3 1 37 MET H . . 5.100 4.393 4.108 4.530 . 0 0 "[ . 1 . ]" 1
754 1 37 MET H 1 37 MET HB2 . . 4.030 3.745 2.811 3.917 . 0 0 "[ . 1 . ]" 1
755 1 37 MET H 1 37 MET HB3 . . 3.780 3.016 2.745 3.858 0.078 18 0 "[ . 1 . ]" 1
756 1 37 MET H 1 37 MET QG . . 4.170 2.509 2.206 2.794 . 0 0 "[ . 1 . ]" 1
757 1 37 MET HA 1 37 MET QG . . 3.710 3.415 2.781 3.547 . 0 0 "[ . 1 . ]" 1
758 1 52 VAL H 1 52 VAL MG2 . . 4.320 2.399 2.028 2.740 . 0 0 "[ . 1 . ]" 1
759 1 52 VAL H 1 53 ILE H . . 5.500 4.415 4.323 4.502 . 0 0 "[ . 1 . ]" 1
760 1 52 VAL H 1 53 ILE HA . . 5.500 4.824 4.646 5.072 . 0 0 "[ . 1 . ]" 1
761 1 52 VAL H 1 83 SER HA . . 5.310 5.019 4.776 5.318 0.008 5 0 "[ . 1 . ]" 1
762 1 52 VAL HA 1 100 VAL MG2 . . 5.350 4.867 4.671 5.040 . 0 0 "[ . 1 . ]" 1
763 1 52 VAL HA 1 101 ALA MB . . 4.820 4.862 4.791 4.893 0.073 18 0 "[ . 1 . ]" 1
764 1 52 VAL HA 1 52 VAL MG1 . . 3.440 2.154 2.084 2.213 . 0 0 "[ . 1 . ]" 1
765 1 52 VAL HA 1 53 ILE H . . 3.090 2.336 2.137 2.429 . 0 0 "[ . 1 . ]" 1
766 1 52 VAL HA 1 53 ILE HA . . 5.290 4.527 4.467 4.559 . 0 0 "[ . 1 . ]" 1
767 1 52 VAL HA 1 53 ILE MG . . 4.670 3.467 3.250 3.748 . 0 0 "[ . 1 . ]" 1
768 1 52 VAL HB 1 100 VAL HA . . 5.290 5.220 4.711 5.354 0.064 14 0 "[ . 1 . ]" 1
769 1 52 VAL HB 1 100 VAL HB . . 3.090 3.087 2.648 3.154 0.064 16 0 "[ . 1 . ]" 1
770 1 52 VAL HB 1 100 VAL MG1 . . 4.440 2.936 2.581 3.233 . 0 0 "[ . 1 . ]" 1
771 1 52 VAL HB 1 100 VAL MG2 . . 4.130 3.837 3.609 3.941 . 0 0 "[ . 1 . ]" 1
772 1 52 VAL HB 1 101 ALA H . . 4.530 4.566 4.309 4.604 0.074 1 0 "[ . 1 . ]" 1
773 1 52 VAL HB 1 53 ILE H . . 3.360 2.802 2.594 3.022 . 0 0 "[ . 1 . ]" 1
774 1 52 VAL HB 1 53 ILE HA . . 5.500 3.764 3.543 3.966 . 0 0 "[ . 1 . ]" 1
775 1 52 VAL MG1 1 100 VAL HB . . 4.330 2.036 1.947 2.262 . 0 0 "[ . 1 . ]" 1
776 1 52 VAL MG1 1 53 ILE H . . 4.470 2.396 2.027 3.029 . 0 0 "[ . 1 . ]" 1
777 1 52 VAL MG1 1 53 ILE HA . . 4.860 4.558 4.349 4.865 0.005 4 0 "[ . 1 . ]" 1
778 1 52 VAL MG1 1 54 VAL HB . . 5.500 5.577 5.551 5.594 0.094 14 0 "[ . 1 . ]" 1
779 1 52 VAL MG1 1 84 ARG H . . 5.260 5.121 4.721 5.296 0.036 4 0 "[ . 1 . ]" 1
780 1 52 VAL MG2 1 53 ILE H . . 4.350 4.158 4.036 4.249 . 0 0 "[ . 1 . ]" 1
781 1 53 ILE H 1 100 VAL MG2 . . 5.470 4.466 4.306 4.712 . 0 0 "[ . 1 . ]" 1
782 1 53 ILE H 1 101 ALA H . . 4.150 2.632 2.441 2.835 . 0 0 "[ . 1 . ]" 1
783 1 53 ILE H 1 101 ALA MB . . 4.100 3.640 3.482 3.839 . 0 0 "[ . 1 . ]" 1
784 1 53 ILE H 1 53 ILE HB . . 3.240 3.241 3.117 3.281 0.041 5 0 "[ . 1 . ]" 1
785 1 53 ILE H 1 53 ILE HG12 . . 4.260 4.295 4.281 4.305 0.045 18 0 "[ . 1 . ]" 1
786 1 53 ILE H 1 53 ILE HG13 . . 4.890 4.867 4.786 4.918 0.028 6 0 "[ . 1 . ]" 1
787 1 53 ILE H 1 53 ILE MD . . 4.400 4.419 4.334 4.445 0.045 13 0 "[ . 1 . ]" 1
788 1 53 ILE H 1 53 ILE MG . . 3.940 2.165 2.080 2.234 . 0 0 "[ . 1 . ]" 1
789 1 53 ILE H 1 54 VAL H . . 5.190 4.345 4.262 4.431 . 0 0 "[ . 1 . ]" 1
790 1 53 ILE H 1 83 SER HA . . 5.320 4.641 4.489 4.742 . 0 0 "[ . 1 . ]" 1
791 1 53 ILE H 1 84 ARG H . . 5.500 4.529 4.090 4.700 . 0 0 "[ . 1 . ]" 1
792 1 53 ILE HA 1 101 ALA H . . 5.500 4.562 4.480 4.681 . 0 0 "[ . 1 . ]" 1
793 1 53 ILE HA 1 53 ILE HG12 . . 3.630 2.572 2.502 2.629 . 0 0 "[ . 1 . ]" 1
794 1 53 ILE HA 1 53 ILE HG13 . . 3.850 2.805 2.623 2.989 . 0 0 "[ . 1 . ]" 1
795 1 53 ILE HA 1 53 ILE MD . . 3.630 3.770 3.699 3.806 0.176 5 0 "[ . 1 . ]" 1
796 1 53 ILE HA 1 54 VAL H . . 2.960 2.180 2.121 2.279 . 0 0 "[ . 1 . ]" 1
797 1 53 ILE HA 1 54 VAL HB . . 4.500 3.881 3.755 4.163 . 0 0 "[ . 1 . ]" 1
798 1 53 ILE HA 1 54 VAL MG1 . . 4.300 3.986 3.866 4.097 . 0 0 "[ . 1 . ]" 1
799 1 53 ILE HA 1 83 SER HA . . 3.050 2.076 1.922 2.216 . 0 0 "[ . 1 . ]" 1
800 1 53 ILE HA 1 84 ARG HB3 . . 4.480 4.610 4.350 4.704 0.224 8 0 "[ . 1 . ]" 1
801 1 53 ILE HB 1 53 ILE MD . . 3.370 2.818 2.733 2.954 . 0 0 "[ . 1 . ]" 1
802 1 53 ILE HB 1 54 VAL H . . 5.040 4.032 3.984 4.085 . 0 0 "[ . 1 . ]" 1
803 1 53 ILE HB 1 83 SER HA . . 4.400 2.666 2.469 2.901 . 0 0 "[ . 1 . ]" 1
804 1 53 ILE HG12 1 101 ALA H . . 4.490 4.598 4.578 4.618 0.128 17 0 "[ . 1 . ]" 1
805 1 53 ILE HG12 1 54 VAL HA . . 4.020 4.091 4.056 4.130 0.110 6 0 "[ . 1 . ]" 1
806 1 53 ILE HG13 1 54 VAL H . . 5.170 3.204 3.131 3.326 . 0 0 "[ . 1 . ]" 1
807 1 53 ILE HG13 1 83 SER HA . . 5.500 2.538 2.351 2.670 . 0 0 "[ . 1 . ]" 1
808 1 53 ILE MD 1 100 VAL HA . . 5.130 5.143 4.869 5.199 0.069 2 0 "[ . 1 . ]" 1
809 1 53 ILE MD 1 54 VAL H . . 4.090 3.604 3.449 3.700 . 0 0 "[ . 1 . ]" 1
810 1 53 ILE MD 1 54 VAL HA . . 4.970 4.715 4.528 4.833 . 0 0 "[ . 1 . ]" 1
811 1 53 ILE MD 1 54 VAL HB . . 5.480 5.490 5.347 5.542 0.062 9 0 "[ . 1 . ]" 1
812 1 53 ILE MD 1 55 ASP H . . 5.500 5.354 5.159 5.487 . 0 0 "[ . 1 . ]" 1
813 1 53 ILE MD 1 80 THR HB . . 4.220 2.626 2.295 3.096 . 0 0 "[ . 1 . ]" 1
814 1 53 ILE MD 1 80 THR MG . . 3.770 2.323 2.100 2.606 . 0 0 "[ . 1 . ]" 1
815 1 53 ILE MD 1 82 THR H . . 3.390 3.379 3.194 3.421 0.031 4 0 "[ . 1 . ]" 1
816 1 53 ILE MD 1 83 SER H . . 5.280 4.493 4.403 4.670 . 0 0 "[ . 1 . ]" 1
817 1 53 ILE MD 1 83 SER HA . . 4.140 4.122 3.981 4.222 0.082 13 0 "[ . 1 . ]" 1
818 1 53 ILE MG 1 101 ALA H . . 4.540 2.463 2.413 2.544 . 0 0 "[ . 1 . ]" 1
819 1 53 ILE MG 1 101 ALA HA . . 5.500 4.045 3.974 4.198 . 0 0 "[ . 1 . ]" 1
820 1 53 ILE MG 1 101 ALA MB . . 4.410 1.952 1.915 2.067 . 0 0 "[ . 1 . ]" 1
821 1 53 ILE MG 1 102 LEU H . . 5.500 4.508 4.020 4.901 . 0 0 "[ . 1 . ]" 1
822 1 53 ILE MD 1 53 ILE MG . . 3.210 1.917 1.899 1.942 . 0 0 "[ . 1 . ]" 1
823 1 53 ILE MG 1 80 THR HB . . 5.010 4.412 4.067 4.627 . 0 0 "[ . 1 . ]" 1
824 1 53 ILE MG 1 83 SER HA . . 4.510 4.191 4.061 4.313 . 0 0 "[ . 1 . ]" 1
825 1 54 VAL H 1 54 VAL HB . . 3.380 2.396 2.313 2.500 . 0 0 "[ . 1 . ]" 1
826 1 54 VAL H 1 54 VAL MG1 . . 3.520 2.287 2.194 2.354 . 0 0 "[ . 1 . ]" 1
827 1 54 VAL H 1 54 VAL MG2 . . 4.370 3.819 3.792 3.865 . 0 0 "[ . 1 . ]" 1
828 1 54 VAL H 1 55 ASP H . . 5.350 4.518 4.487 4.545 . 0 0 "[ . 1 . ]" 1
829 1 54 VAL H 1 59 TYR QE . . 5.500 4.768 4.362 5.369 . 0 0 "[ . 1 . ]" 1
830 1 54 VAL H 1 82 THR HA . . 5.160 4.522 4.475 4.586 . 0 0 "[ . 1 . ]" 1
831 1 54 VAL H 1 82 THR HB . . 3.900 3.064 2.947 3.233 . 0 0 "[ . 1 . ]" 1
832 1 54 VAL H 1 82 THR MG . . 5.340 4.489 4.414 4.557 . 0 0 "[ . 1 . ]" 1
833 1 54 VAL H 1 83 SER H . . 5.220 4.875 4.778 4.937 . 0 0 "[ . 1 . ]" 1
834 1 54 VAL H 1 83 SER HA . . 3.890 3.466 3.300 3.639 . 0 0 "[ . 1 . ]" 1
835 1 54 VAL H 1 84 ARG H . . 4.950 4.389 3.767 4.687 . 0 0 "[ . 1 . ]" 1
836 1 54 VAL HA 1 100 VAL H . . 5.500 4.867 4.807 4.917 . 0 0 "[ . 1 . ]" 1
837 1 54 VAL HA 1 100 VAL HA . . 3.430 2.340 2.204 2.427 . 0 0 "[ . 1 . ]" 1
838 1 54 VAL HA 1 100 VAL HB . . 4.030 3.914 3.754 4.027 . 0 0 "[ . 1 . ]" 1
839 1 54 VAL HA 1 100 VAL MG1 . . 3.630 2.163 2.075 2.248 . 0 0 "[ . 1 . ]" 1
840 1 54 VAL HA 1 100 VAL MG2 . . 5.490 4.631 4.544 4.716 . 0 0 "[ . 1 . ]" 1
841 1 54 VAL HA 1 101 ALA H . . 4.360 3.883 3.678 4.050 . 0 0 "[ . 1 . ]" 1
842 1 54 VAL HA 1 54 VAL MG1 . . 3.700 3.174 3.149 3.203 . 0 0 "[ . 1 . ]" 1
843 1 54 VAL HA 1 54 VAL MG2 . . 3.700 2.324 2.289 2.361 . 0 0 "[ . 1 . ]" 1
844 1 54 VAL HA 1 55 ASP H . . 3.160 2.095 2.035 2.131 . 0 0 "[ . 1 . ]" 1
845 1 54 VAL HA 1 55 ASP HB2 . . 5.320 4.320 4.159 5.405 0.085 11 0 "[ . 1 . ]" 1
846 1 54 VAL HA 1 55 ASP HB3 . . 4.130 4.274 4.198 4.297 0.167 3 0 "[ . 1 . ]" 1
847 1 54 VAL HB 1 100 VAL MG1 . . 5.500 2.895 2.828 2.950 . 0 0 "[ . 1 . ]" 1
848 1 54 VAL HB 1 55 ASP H . . 5.300 4.062 3.999 4.101 . 0 0 "[ . 1 . ]" 1
849 1 54 VAL HB 1 59 TYR H . . 5.120 4.855 4.695 5.067 . 0 0 "[ . 1 . ]" 1
850 1 54 VAL HB 1 59 TYR HA . . 4.440 4.468 4.384 4.549 0.109 16 0 "[ . 1 . ]" 1
851 1 54 VAL HB 1 59 TYR QD . . 3.210 3.199 3.075 3.252 0.042 16 0 "[ . 1 . ]" 1
852 1 54 VAL HB 1 59 TYR QE . . 4.330 4.400 4.307 4.457 0.127 4 0 "[ . 1 . ]" 1
853 1 54 VAL HB 1 82 THR HA . . 5.390 5.428 5.391 5.462 0.072 13 0 "[ . 1 . ]" 1
854 1 54 VAL HB 1 82 THR HB . . 3.780 3.887 3.864 3.909 0.129 8 0 "[ . 1 . ]" 1
855 1 54 VAL HB 1 82 THR MG . . 5.150 5.174 5.160 5.193 0.043 8 0 "[ . 1 . ]" 1
856 1 54 VAL HB 1 83 SER HA . . 5.100 5.172 5.117 5.237 0.137 5 0 "[ . 1 . ]" 1
857 1 54 VAL MG1 1 100 VAL MG1 . . 3.880 3.943 3.924 3.968 0.088 5 0 "[ . 1 . ]" 1
858 1 54 VAL MG1 1 55 ASP H . . 4.760 3.346 3.262 3.426 . 0 0 "[ . 1 . ]" 1
859 1 54 VAL MG1 1 59 TYR HA . . 4.680 2.391 2.245 2.614 . 0 0 "[ . 1 . ]" 1
860 1 54 VAL MG1 1 59 TYR HB2 . . 5.500 2.026 1.946 2.165 . 0 0 "[ . 1 . ]" 1
861 1 54 VAL MG1 1 59 TYR HB3 . . 5.500 3.198 3.156 3.236 . 0 0 "[ . 1 . ]" 1
862 1 54 VAL MG1 1 59 TYR QD . . 3.850 1.875 1.797 2.144 . 0 0 "[ . 1 . ]" 1
863 1 54 VAL MG1 1 59 TYR QE . . 4.540 3.269 3.132 3.537 . 0 0 "[ . 1 . ]" 1
864 1 54 VAL MG1 1 84 ARG HD3 . . 4.530 3.913 2.542 4.640 0.110 14 0 "[ . 1 . ]" 1
865 1 54 VAL MG1 1 84 ARG HG2 . . 4.370 3.128 2.488 4.378 0.008 7 0 "[ . 1 . ]" 1
866 1 54 VAL MG2 1 100 VAL MG1 . . 4.030 2.470 2.329 2.616 . 0 0 "[ . 1 . ]" 1
867 1 54 VAL MG2 1 100 VAL MG2 . . 5.500 4.630 4.471 4.688 . 0 0 "[ . 1 . ]" 1
868 1 54 VAL MG2 1 55 ASP H . . 3.900 2.311 2.265 2.383 . 0 0 "[ . 1 . ]" 1
869 1 54 VAL MG2 1 58 TYR H . . 4.740 3.128 2.972 3.348 . 0 0 "[ . 1 . ]" 1
870 1 54 VAL MG2 1 58 TYR HB3 . . 4.140 3.015 2.731 3.558 . 0 0 "[ . 1 . ]" 1
871 1 54 VAL MG2 1 58 TYR QD . . 4.370 3.739 3.646 3.822 . 0 0 "[ . 1 . ]" 1
872 1 54 VAL MG2 1 58 TYR QE . . 5.500 5.500 5.402 5.527 0.027 9 0 "[ . 1 . ]" 1
873 1 54 VAL MG2 1 59 TYR H . . 4.160 2.571 2.434 2.753 . 0 0 "[ . 1 . ]" 1
874 1 54 VAL MG2 1 59 TYR HA . . 3.590 3.110 2.941 3.202 . 0 0 "[ . 1 . ]" 1
875 1 54 VAL MG2 1 59 TYR HB2 . . 4.730 3.450 3.357 3.538 . 0 0 "[ . 1 . ]" 1
876 1 54 VAL MG2 1 59 TYR HB3 . . 4.430 4.562 4.546 4.578 0.148 6 0 "[ . 1 . ]" 1
877 1 54 VAL MG2 1 59 TYR QD . . 3.930 3.294 2.849 3.449 . 0 0 "[ . 1 . ]" 1
878 1 54 VAL MG2 1 59 TYR QE . . 5.160 4.997 4.612 5.141 . 0 0 "[ . 1 . ]" 1
879 1 54 VAL MG2 1 60 ASP H . . 5.500 4.711 4.567 4.898 . 0 0 "[ . 1 . ]" 1
880 1 54 VAL MG2 1 82 THR HB . . 4.590 4.230 4.167 4.301 . 0 0 "[ . 1 . ]" 1
881 1 55 ASP H 1 100 VAL HA . . 3.870 3.326 3.154 3.530 . 0 0 "[ . 1 . ]" 1
882 1 55 ASP H 1 100 VAL MG1 . . 4.410 3.667 3.517 3.825 . 0 0 "[ . 1 . ]" 1
883 1 55 ASP H 1 100 VAL MG2 . . 5.750 5.569 5.380 5.755 0.005 11 0 "[ . 1 . ]" 1
884 1 55 ASP H 1 55 ASP HB2 . . 3.240 2.296 2.176 3.304 0.064 11 0 "[ . 1 . ]" 1
885 1 55 ASP H 1 55 ASP HB3 . . 3.310 2.296 2.239 2.385 . 0 0 "[ . 1 . ]" 1
886 1 55 ASP H 1 57 ASP H . . 5.040 5.036 4.639 5.075 0.035 8 0 "[ . 1 . ]" 1
887 1 55 ASP H 1 58 TYR QD . . 4.710 4.207 4.077 4.486 . 0 0 "[ . 1 . ]" 1
888 1 55 ASP H 1 59 TYR H . . 5.500 4.682 4.524 4.827 . 0 0 "[ . 1 . ]" 1
889 1 55 ASP H 1 99 ARG HA . . 5.500 5.182 4.910 5.332 . 0 0 "[ . 1 . ]" 1
890 1 55 ASP H 1 99 ARG HB2 . . 5.080 4.294 4.006 4.665 . 0 0 "[ . 1 . ]" 1
891 1 55 ASP HA 1 99 ARG QD . . 4.180 4.181 3.901 4.244 0.064 10 0 "[ . 1 . ]" 1
892 1 55 ASP HB2 1 57 ASP H . . 4.380 4.153 2.670 4.297 . 0 0 "[ . 1 . ]" 1
893 1 55 ASP HB2 1 57 ASP HB2 . . 4.420 4.321 3.283 4.457 0.037 18 0 "[ . 1 . ]" 1
894 1 55 ASP HB2 1 57 ASP HB3 . . 5.500 5.523 5.034 5.585 0.085 16 0 "[ . 1 . ]" 1
895 1 55 ASP HB2 1 58 TYR H . . 3.860 3.980 3.922 4.030 0.170 1 0 "[ . 1 . ]" 1
896 1 55 ASP HB2 1 58 TYR QD . . 3.590 3.029 2.874 3.421 . 0 0 "[ . 1 . ]" 1
897 1 55 ASP HB2 1 58 TYR QE . . 4.450 4.394 4.163 4.489 0.039 11 0 "[ . 1 . ]" 1
898 1 55 ASP HB2 1 59 TYR H . . 5.500 5.434 5.288 5.515 0.015 7 0 "[ . 1 . ]" 1
899 1 55 ASP HB3 1 100 VAL HA . . 5.500 5.381 4.692 5.532 0.032 14 0 "[ . 1 . ]" 1
900 1 55 ASP HB3 1 57 ASP H . . 5.460 3.379 3.194 4.183 . 0 0 "[ . 1 . ]" 1
901 1 55 ASP HB3 1 58 TYR QD . . 3.770 2.187 2.036 3.820 0.050 11 0 "[ . 1 . ]" 1
902 1 55 ASP HB3 1 58 TYR QE . . 5.070 4.257 4.124 4.895 . 0 0 "[ . 1 . ]" 1
903 1 55 ASP HB3 1 99 ARG HB2 . . 4.100 4.036 3.212 4.166 0.066 13 0 "[ . 1 . ]" 1
904 1 55 ASP HB3 1 99 ARG HB3 . . 4.590 3.550 2.135 3.794 . 0 0 "[ . 1 . ]" 1
905 1 57 ASP H 1 57 ASP HA . . 2.920 2.928 2.912 2.945 0.025 11 0 "[ . 1 . ]" 1
906 1 57 ASP H 1 57 ASP HB2 . . 3.560 2.180 2.105 2.333 . 0 0 "[ . 1 . ]" 1
907 1 57 ASP H 1 57 ASP HB3 . . 3.710 3.441 3.389 3.585 . 0 0 "[ . 1 . ]" 1
908 1 57 ASP H 1 58 TYR H . . 3.610 2.723 2.421 2.832 . 0 0 "[ . 1 . ]" 1
909 1 57 ASP H 1 58 TYR QD . . 4.650 3.772 3.611 3.940 . 0 0 "[ . 1 . ]" 1
910 1 57 ASP H 1 58 TYR QE . . 5.500 5.212 5.020 5.506 0.006 8 0 "[ . 1 . ]" 1
911 1 57 ASP H 1 59 TYR H . . 4.680 4.049 3.719 4.197 . 0 0 "[ . 1 . ]" 1
912 1 57 ASP H 1 60 ASP H . . 5.080 5.103 5.081 5.143 0.063 19 0 "[ . 1 . ]" 1
913 1 57 ASP HB2 1 58 TYR H . . 4.030 2.954 2.612 3.177 . 0 0 "[ . 1 . ]" 1
914 1 57 ASP HB2 1 58 TYR QD . . 4.380 2.839 2.484 3.130 . 0 0 "[ . 1 . ]" 1
915 1 57 ASP HB2 1 58 TYR QE . . 4.780 3.454 3.259 3.804 . 0 0 "[ . 1 . ]" 1
916 1 57 ASP HB3 1 58 TYR H . . 5.050 3.169 2.930 3.433 . 0 0 "[ . 1 . ]" 1
917 1 57 ASP HB3 1 58 TYR HB2 . . 5.420 4.607 4.446 5.003 . 0 0 "[ . 1 . ]" 1
918 1 57 ASP HB3 1 58 TYR QD . . 4.730 3.131 2.953 3.693 . 0 0 "[ . 1 . ]" 1
919 1 57 ASP HB3 1 58 TYR QE . . 5.120 3.442 3.253 3.908 . 0 0 "[ . 1 . ]" 1
920 1 58 TYR H 1 58 TYR HB2 . . 3.770 2.109 2.071 2.161 . 0 0 "[ . 1 . ]" 1
921 1 58 TYR H 1 58 TYR HB3 . . 3.160 3.350 3.337 3.372 0.212 18 0 "[ . 1 . ]" 1
922 1 58 TYR H 1 58 TYR QD . . 3.730 2.326 2.181 2.498 . 0 0 "[ . 1 . ]" 1
923 1 58 TYR H 1 58 TYR QE . . 4.930 4.435 4.279 4.546 . 0 0 "[ . 1 . ]" 1
924 1 58 TYR H 1 59 TYR H . . 3.210 2.447 2.393 2.503 . 0 0 "[ . 1 . ]" 1
925 1 58 TYR H 1 59 TYR HA . . 5.150 5.175 5.129 5.194 0.044 9 0 "[ . 1 . ]" 1
926 1 58 TYR H 1 59 TYR HB2 . . 4.920 4.395 4.311 4.525 . 0 0 "[ . 1 . ]" 1
927 1 58 TYR H 1 60 ASP H . . 5.390 3.957 3.789 4.162 . 0 0 "[ . 1 . ]" 1
928 1 58 TYR HA 1 58 TYR QD . . 3.620 2.783 2.574 2.980 . 0 0 "[ . 1 . ]" 1
929 1 58 TYR HA 1 58 TYR QE . . 4.830 4.540 4.364 4.676 . 0 0 "[ . 1 . ]" 1
930 1 58 TYR HA 1 61 ALA MB . . 3.920 3.893 3.495 3.967 0.047 1 0 "[ . 1 . ]" 1
931 1 58 TYR HB2 1 59 TYR H . . 5.050 3.096 2.842 3.311 . 0 0 "[ . 1 . ]" 1
932 1 58 TYR HB2 1 98 ILE HG12 . . 4.540 2.587 2.419 3.133 . 0 0 "[ . 1 . ]" 1
933 1 58 TYR HB2 1 98 ILE HG13 . . 5.500 3.603 3.228 4.377 . 0 0 "[ . 1 . ]" 1
934 1 58 TYR HB3 1 59 TYR H . . 4.480 3.857 3.519 4.085 . 0 0 "[ . 1 . ]" 1
935 1 58 TYR HB3 1 98 ILE H . . 5.500 5.505 5.257 5.558 0.058 9 0 "[ . 1 . ]" 1
936 1 58 TYR QD 1 59 TYR H . . 4.370 4.424 4.390 4.459 0.089 13 0 "[ . 1 . ]" 1
937 1 58 TYR QD 1 95 ILE H . . 4.920 4.916 4.752 4.981 0.061 18 0 "[ . 1 . ]" 1
938 1 58 TYR QD 1 95 ILE HA . . 3.720 2.241 2.096 2.491 . 0 0 "[ . 1 . ]" 1
939 1 58 TYR QD 1 95 ILE HB . . 4.650 3.793 2.715 4.484 . 0 0 "[ . 1 . ]" 1
940 1 58 TYR QD 1 98 ILE H . . 4.950 4.269 4.036 4.518 . 0 0 "[ . 1 . ]" 1
941 1 58 TYR QD 1 98 ILE HA . . 5.460 3.009 2.643 3.144 . 0 0 "[ . 1 . ]" 1
942 1 58 TYR QE 1 95 ILE HA . . 3.630 2.854 2.151 3.492 . 0 0 "[ . 1 . ]" 1
943 1 58 TYR QE 1 95 ILE HB . . 5.500 4.573 3.902 5.240 . 0 0 "[ . 1 . ]" 1
944 1 58 TYR QE 1 95 ILE MG . . 5.270 4.751 3.791 5.267 . 0 0 "[ . 1 . ]" 1
945 1 58 TYR QE 1 97 GLY HA2 . . 5.390 4.987 4.788 5.223 . 0 0 "[ . 1 . ]" 1
946 1 58 TYR QE 1 98 ILE H . . 4.550 3.554 3.205 3.941 . 0 0 "[ . 1 . ]" 1
947 1 58 TYR QE 1 98 ILE HA . . 5.500 3.132 2.965 3.262 . 0 0 "[ . 1 . ]" 1
948 1 58 TYR QE 1 99 ARG HB2 . . 5.080 4.395 3.970 4.785 . 0 0 "[ . 1 . ]" 1
949 1 58 TYR QE 1 99 ARG HB3 . . 5.420 5.430 5.252 5.483 0.063 10 0 "[ . 1 . ]" 1
950 1 59 TYR H 1 59 TYR HB2 . . 3.320 2.173 2.129 2.225 . 0 0 "[ . 1 . ]" 1
951 1 59 TYR H 1 59 TYR HB3 . . 3.250 2.992 2.821 3.261 0.011 8 0 "[ . 1 . ]" 1
952 1 59 TYR H 1 59 TYR QD . . 4.130 4.053 3.948 4.134 0.004 1 0 "[ . 1 . ]" 1
953 1 59 TYR H 1 60 ASP H . . 3.790 2.634 2.379 2.795 . 0 0 "[ . 1 . ]" 1
954 1 59 TYR H 1 60 ASP HB2 . . 4.850 4.335 3.792 4.720 . 0 0 "[ . 1 . ]" 1
955 1 59 TYR H 1 62 LEU MD1 . . 5.500 4.128 3.699 4.406 . 0 0 "[ . 1 . ]" 1
956 1 59 TYR H 1 82 THR MG . . 4.930 4.352 4.215 4.598 . 0 0 "[ . 1 . ]" 1
957 1 59 TYR HA 1 59 TYR QD . . 3.310 2.300 2.000 2.462 . 0 0 "[ . 1 . ]" 1
958 1 59 TYR HA 1 59 TYR QE . . 4.620 4.358 4.120 4.505 . 0 0 "[ . 1 . ]" 1
959 1 59 TYR HA 1 61 ALA H . . 4.530 3.800 3.630 3.949 . 0 0 "[ . 1 . ]" 1
960 1 59 TYR HA 1 62 LEU H . . 4.250 3.649 3.252 3.822 . 0 0 "[ . 1 . ]" 1
961 1 59 TYR HA 1 62 LEU HB2 . . 3.600 2.653 2.203 2.855 . 0 0 "[ . 1 . ]" 1
962 1 59 TYR HA 1 62 LEU HB3 . . 3.860 3.948 3.797 3.993 0.133 5 0 "[ . 1 . ]" 1
963 1 59 TYR HA 1 62 LEU MD1 . . 3.570 2.123 1.994 2.534 . 0 0 "[ . 1 . ]" 1
964 1 59 TYR HB2 1 60 ASP H . . 3.610 3.355 3.156 3.509 . 0 0 "[ . 1 . ]" 1
965 1 59 TYR HB2 1 60 ASP HA . . 4.140 4.349 4.304 4.418 0.278 18 0 "[ . 1 . ]" 1
966 1 59 TYR HB2 1 61 ALA H . . 5.060 5.210 5.174 5.232 0.172 15 0 "[ . 1 . ]" 1
967 1 59 TYR HB2 1 62 LEU MD1 . . 5.500 4.341 4.166 5.011 . 0 0 "[ . 1 . ]" 1
968 1 59 TYR HB2 1 82 THR HA . . 5.380 4.372 4.209 4.707 . 0 0 "[ . 1 . ]" 1
969 1 59 TYR HB2 1 82 THR HB . . 4.550 3.019 2.923 3.256 . 0 0 "[ . 1 . ]" 1
970 1 59 TYR HB2 1 82 THR MG . . 4.210 2.777 2.585 3.081 . 0 0 "[ . 1 . ]" 1
971 1 59 TYR HB3 1 60 ASP H . . 3.970 2.767 2.494 3.091 . 0 0 "[ . 1 . ]" 1
972 1 59 TYR HB3 1 62 LEU H . . 5.500 4.754 4.620 4.847 . 0 0 "[ . 1 . ]" 1
973 1 59 TYR HB3 1 82 THR HA . . 4.750 4.733 4.643 4.848 0.098 8 0 "[ . 1 . ]" 1
974 1 59 TYR HB3 1 82 THR HB . . 4.050 4.069 3.994 4.125 0.075 7 0 "[ . 1 . ]" 1
975 1 59 TYR HB3 1 82 THR MG . . 4.210 3.072 2.821 3.482 . 0 0 "[ . 1 . ]" 1
976 1 59 TYR QD 1 62 LEU MD1 . . 4.130 2.477 2.224 2.945 . 0 0 "[ . 1 . ]" 1
977 1 59 TYR QD 1 82 THR HA . . 3.240 3.234 2.629 3.324 0.084 18 0 "[ . 1 . ]" 1
978 1 59 TYR QD 1 82 THR HB . . 3.150 3.234 3.187 3.278 0.128 2 0 "[ . 1 . ]" 1
979 1 59 TYR QD 1 82 THR MG . . 3.870 2.432 2.194 2.656 . 0 0 "[ . 1 . ]" 1
980 1 59 TYR QD 1 84 ARG HG3 . . 4.910 3.647 2.793 4.944 0.034 7 0 "[ . 1 . ]" 1
981 1 59 TYR QE 1 62 LEU HB2 . . 5.500 4.335 3.960 4.765 . 0 0 "[ . 1 . ]" 1
982 1 59 TYR QE 1 62 LEU HB3 . . 5.500 4.720 3.806 5.472 . 0 0 "[ . 1 . ]" 1
983 1 59 TYR QE 1 62 LEU MD1 . . 4.150 3.803 3.445 4.175 0.025 17 0 "[ . 1 . ]" 1
984 1 59 TYR QE 1 82 THR H . . 5.500 5.081 4.865 5.384 . 0 0 "[ . 1 . ]" 1
985 1 59 TYR QE 1 82 THR HA . . 3.340 2.855 2.545 3.004 . 0 0 "[ . 1 . ]" 1
986 1 59 TYR QE 1 82 THR HB . . 4.380 3.985 3.791 4.337 . 0 0 "[ . 1 . ]" 1
987 1 59 TYR QE 1 82 THR MG . . 4.620 3.495 3.339 3.884 . 0 0 "[ . 1 . ]" 1
988 1 59 TYR QE 1 83 SER HA . . 5.500 4.794 4.100 5.540 0.040 16 0 "[ . 1 . ]" 1
989 1 59 TYR QE 1 84 ARG H . . 5.500 4.888 4.315 5.516 0.016 8 0 "[ . 1 . ]" 1
990 1 59 TYR QE 1 84 ARG HA . . 4.570 3.626 2.735 4.204 . 0 0 "[ . 1 . ]" 1
991 1 59 TYR QE 1 84 ARG HB3 . . 5.150 4.525 2.550 4.984 . 0 0 "[ . 1 . ]" 1
992 1 59 TYR QE 1 84 ARG HD2 . . 4.600 2.761 1.929 4.264 . 0 0 "[ . 1 . ]" 1
993 1 59 TYR QE 1 84 ARG HD3 . . 3.710 3.010 2.167 3.762 0.052 10 0 "[ . 1 . ]" 1
994 1 59 TYR QE 1 84 ARG HG2 . . 3.540 2.485 2.127 3.580 0.040 2 0 "[ . 1 . ]" 1
995 1 59 TYR QE 1 84 ARG HG3 . . 3.970 3.705 2.952 4.091 0.121 7 0 "[ . 1 . ]" 1
996 1 60 ASP H 1 60 ASP HB2 . . 3.470 2.141 1.990 2.309 . 0 0 "[ . 1 . ]" 1
997 1 60 ASP H 1 60 ASP HB3 . . 3.900 2.719 2.374 2.947 . 0 0 "[ . 1 . ]" 1
998 1 60 ASP H 1 61 ALA H . . 3.370 2.670 2.600 2.793 . 0 0 "[ . 1 . ]" 1
999 1 60 ASP H 1 61 ALA MB . . 4.330 4.184 4.047 4.335 0.005 8 0 "[ . 1 . ]" 1
1000 1 60 ASP H 1 62 LEU H . . 4.740 4.225 4.005 4.364 . 0 0 "[ . 1 . ]" 1
1001 1 60 ASP HA 1 62 LEU H . . 4.240 3.724 3.571 3.978 . 0 0 "[ . 1 . ]" 1
1002 1 60 ASP HB2 1 61 ALA H . . 4.490 3.947 3.793 4.061 . 0 0 "[ . 1 . ]" 1
1003 1 60 ASP HB2 1 61 ALA MB . . 5.030 4.984 4.705 5.059 0.029 7 0 "[ . 1 . ]" 1
1004 1 60 ASP HB2 1 62 LEU H . . 5.370 5.481 5.444 5.535 0.165 17 0 "[ . 1 . ]" 1
1005 1 60 ASP HB3 1 61 ALA H . . 4.330 3.347 3.111 3.719 . 0 0 "[ . 1 . ]" 1
1006 1 60 ASP HB3 1 62 LEU H . . 5.500 5.169 4.993 5.440 . 0 0 "[ . 1 . ]" 1
1007 1 61 ALA H 1 61 ALA MB . . 3.220 2.365 2.277 2.446 . 0 0 "[ . 1 . ]" 1
1008 1 61 ALA H 1 62 LEU H . . 3.290 2.188 1.925 2.432 . 0 0 "[ . 1 . ]" 1
1009 1 61 ALA H 1 62 LEU HA . . 5.170 4.621 4.463 4.853 . 0 0 "[ . 1 . ]" 1
1010 1 61 ALA H 1 62 LEU HB2 . . 4.860 4.065 3.502 4.202 . 0 0 "[ . 1 . ]" 1
1011 1 61 ALA H 1 62 LEU HB3 . . 5.380 5.354 5.040 5.414 0.034 18 0 "[ . 1 . ]" 1
1012 1 61 ALA H 1 62 LEU MD1 . . 4.700 4.454 3.252 4.715 0.015 18 0 "[ . 1 . ]" 1
1013 1 61 ALA H 1 62 LEU MD2 . . 5.450 4.127 3.588 5.373 . 0 0 "[ . 1 . ]" 1
1014 1 61 ALA MB 1 62 LEU H . . 4.060 3.374 3.194 3.499 . 0 0 "[ . 1 . ]" 1
1015 1 61 ALA MB 1 62 LEU HA . . 4.960 4.088 3.892 4.377 . 0 0 "[ . 1 . ]" 1
1016 1 62 LEU H 1 62 LEU HB2 . . 3.110 2.469 2.085 2.563 . 0 0 "[ . 1 . ]" 1
1017 1 62 LEU H 1 62 LEU HB3 . . 3.680 3.651 3.307 3.694 0.014 11 0 "[ . 1 . ]" 1
1018 1 62 LEU H 1 62 LEU HG . . 3.910 2.812 2.485 3.932 0.022 17 0 "[ . 1 . ]" 1
1019 1 62 LEU H 1 62 LEU MD1 . . 4.840 3.948 2.855 4.141 . 0 0 "[ . 1 . ]" 1
1020 1 62 LEU H 1 62 LEU MD2 . . 4.190 3.531 3.162 4.277 0.087 17 0 "[ . 1 . ]" 1
1021 1 62 LEU H 1 63 PRO HD2 . . 5.290 4.960 4.890 5.017 . 0 0 "[ . 1 . ]" 1
1022 1 62 LEU HA 1 62 LEU HG . . 3.370 3.117 2.070 3.311 . 0 0 "[ . 1 . ]" 1
1023 1 62 LEU HA 1 62 LEU MD2 . . 3.350 2.151 2.030 3.365 0.015 17 0 "[ . 1 . ]" 1
1024 1 62 LEU HA 1 63 PRO HD2 . . 3.470 2.273 2.123 2.474 . 0 0 "[ . 1 . ]" 1
1025 1 62 LEU HA 1 63 PRO HD3 . . 3.010 2.320 2.225 2.410 . 0 0 "[ . 1 . ]" 1
1026 1 62 LEU HA 1 63 PRO HG3 . . 4.460 4.466 4.431 4.481 0.021 14 0 "[ . 1 . ]" 1
1027 1 62 LEU HA 1 89 ILE MD . . 4.010 4.019 3.681 4.106 0.096 1 0 "[ . 1 . ]" 1
1028 1 62 LEU HB2 1 62 LEU MD1 . . 3.270 2.396 2.184 2.477 . 0 0 "[ . 1 . ]" 1
1029 1 62 LEU HB2 1 63 PRO HD2 . . 4.500 4.020 3.866 4.163 . 0 0 "[ . 1 . ]" 1
1030 1 62 LEU HB3 1 63 PRO HD2 . . 3.770 2.577 2.345 2.867 . 0 0 "[ . 1 . ]" 1
1031 1 62 LEU HB3 1 63 PRO HD3 . . 4.090 3.899 3.671 4.100 0.010 9 0 "[ . 1 . ]" 1
1032 1 62 LEU HB3 1 63 PRO HG2 . . 4.220 4.240 4.089 4.283 0.063 17 0 "[ . 1 . ]" 1
1033 1 62 LEU HB3 1 64 GLU QG . . 5.800 5.626 5.086 5.831 0.031 18 0 "[ . 1 . ]" 1
1034 1 62 LEU HB3 1 84 ARG HD3 . . 5.500 3.767 2.364 5.011 . 0 0 "[ . 1 . ]" 1
1035 1 62 LEU HG 1 63 PRO HD2 . . 4.950 4.589 2.332 4.889 . 0 0 "[ . 1 . ]" 1
1036 1 62 LEU MD1 1 84 ARG HD2 . . 5.070 3.146 2.048 5.074 0.004 16 0 "[ . 1 . ]" 1
1037 1 62 LEU MD1 1 84 ARG HD3 . . 3.910 2.569 2.035 3.888 . 0 0 "[ . 1 . ]" 1
1038 1 62 LEU MD2 1 63 PRO HD2 . . 4.170 2.644 2.308 2.921 . 0 0 "[ . 1 . ]" 1
1039 1 62 LEU MD2 1 89 ILE HA . . 5.150 4.836 4.227 5.171 0.021 14 0 "[ . 1 . ]" 1
1040 1 62 LEU MD2 1 89 ILE MD . . 3.550 2.019 1.855 2.319 . 0 0 "[ . 1 . ]" 1
1041 1 62 LEU MD2 1 89 ILE MG . . 4.520 4.198 2.874 4.547 0.027 6 0 "[ . 1 . ]" 1
1042 1 62 LEU MD2 1 90 LYS H . . 4.980 4.854 4.418 5.030 0.050 17 0 "[ . 1 . ]" 1
1043 1 63 PRO HA 1 64 GLU H . . 2.730 2.377 2.184 2.508 . 0 0 "[ . 1 . ]" 1
1044 1 63 PRO HA 1 64 GLU QB . . 4.420 4.430 4.352 4.459 0.039 18 0 "[ . 1 . ]" 1
1045 1 63 PRO HB2 1 64 GLU H . . 3.460 2.682 2.415 3.290 . 0 0 "[ . 1 . ]" 1
1046 1 63 PRO HB3 1 64 GLU H . . 4.170 3.652 3.519 3.964 . 0 0 "[ . 1 . ]" 1
1047 1 63 PRO HD2 1 89 ILE MD . . 5.500 3.215 2.331 4.001 . 0 0 "[ . 1 . ]" 1
1048 1 63 PRO HG3 1 64 GLU H . . 5.500 5.129 4.913 5.541 0.041 14 0 "[ . 1 . ]" 1
1049 1 63 PRO HG3 1 89 ILE MD . . 5.500 4.488 3.049 5.534 0.034 1 0 "[ . 1 . ]" 1
1050 1 64 GLU H 1 64 GLU QB . . 3.130 2.438 2.326 2.585 . 0 0 "[ . 1 . ]" 1
1051 1 64 GLU H 1 64 GLU QG . . 3.850 2.829 2.431 3.244 . 0 0 "[ . 1 . ]" 1
1052 1 64 GLU HA 1 64 GLU QG . . 3.240 2.348 2.242 2.454 . 0 0 "[ . 1 . ]" 1
1053 1 64 GLU HA 1 65 PRO HD2 . . 3.930 2.951 1.946 3.519 . 0 0 "[ . 1 . ]" 1
1054 1 64 GLU QB 1 70 ASN HD21 . . 4.300 4.320 4.220 4.370 0.070 7 0 "[ . 1 . ]" 1
1055 1 64 GLU QB 1 70 ASN QB . . 5.500 4.720 3.786 5.461 . 0 0 "[ . 1 . ]" 1
1056 1 64 GLU QG 1 65 PRO HD2 . . 5.500 4.006 3.234 4.722 . 0 0 "[ . 1 . ]" 1
1057 1 64 GLU QG 1 65 PRO HD3 . . 5.000 3.782 2.909 4.700 . 0 0 "[ . 1 . ]" 1
1058 1 65 PRO HA 1 66 GLU H . . 2.990 2.445 2.281 2.590 . 0 0 "[ . 1 . ]" 1
1059 1 65 PRO HA 1 85 LEU MD2 . . 5.070 4.178 3.333 4.740 . 0 0 "[ . 1 . ]" 1
1060 1 65 PRO QB 1 66 GLU H . . 4.060 2.504 2.285 2.773 . 0 0 "[ . 1 . ]" 1
1061 1 65 PRO QB 1 69 GLU H . . 5.170 4.026 3.625 4.407 . 0 0 "[ . 1 . ]" 1
1062 1 65 PRO QB 1 69 GLU HB3 . . 2.790 2.443 2.213 2.752 . 0 0 "[ . 1 . ]" 1
1063 1 65 PRO QB 1 73 LEU QD . . 4.130 4.053 3.750 4.531 0.401 8 0 "[ . 1 . ]" 1
1064 1 65 PRO QB 1 85 LEU MD2 . . 3.810 2.366 2.001 3.531 . 0 0 "[ . 1 . ]" 1
1065 1 65 PRO HD2 1 70 ASN QB . . 4.510 2.913 2.085 4.544 0.034 8 0 "[ . 1 . ]" 1
1066 1 65 PRO HD2 1 73 LEU MD1 . . 4.940 4.066 3.225 4.917 . 0 0 "[ . 1 . ]" 1
1067 1 65 PRO HD2 1 85 LEU MD2 . . 4.000 4.042 4.007 4.095 0.095 8 0 "[ . 1 . ]" 1
1068 1 65 PRO HD3 1 70 ASN H . . 5.700 5.745 5.713 5.781 0.081 17 0 "[ . 1 . ]" 1
1069 1 65 PRO HD3 1 73 LEU QD . . 5.500 4.173 3.613 4.683 . 0 0 "[ . 1 . ]" 1
1070 1 65 PRO HG2 1 70 ASN HA . . 3.590 3.401 2.836 3.626 0.036 4 0 "[ . 1 . ]" 1
1071 1 65 PRO HG2 1 85 LEU HB3 . . 5.500 4.354 2.984 5.514 0.014 8 0 "[ . 1 . ]" 1
1072 1 66 GLU H 1 66 GLU HG2 . . 4.130 3.711 3.124 4.134 0.004 18 0 "[ . 1 . ]" 1
1073 1 66 GLU H 1 66 GLU HG3 . . 3.560 2.641 2.277 3.275 . 0 0 "[ . 1 . ]" 1
1074 1 66 GLU H 1 66 GLU QB . . 3.360 2.305 2.182 2.525 . 0 0 "[ . 1 . ]" 1
1075 1 66 GLU H 1 68 ASP H . . 5.500 5.102 4.879 5.522 0.022 2 0 "[ . 1 . ]" 1
1076 1 66 GLU H 1 69 GLU H . . 4.780 4.083 3.768 4.498 . 0 0 "[ . 1 . ]" 1
1077 1 66 GLU H 1 69 GLU HB2 . . 4.430 2.666 2.294 3.169 . 0 0 "[ . 1 . ]" 1
1078 1 66 GLU H 1 70 ASN H . . 5.230 4.373 4.068 4.880 . 0 0 "[ . 1 . ]" 1
1079 1 66 GLU HA 1 66 GLU HG2 . . 4.000 2.557 2.149 3.621 . 0 0 "[ . 1 . ]" 1
1080 1 66 GLU HA 1 66 GLU HG3 . . 3.350 2.802 2.214 3.251 . 0 0 "[ . 1 . ]" 1
1081 1 66 GLU HA 1 67 ASP H . . 2.890 2.322 2.257 2.392 . 0 0 "[ . 1 . ]" 1
1082 1 66 GLU HA 1 70 ASN HD21 . . 5.500 4.808 3.964 5.510 0.010 17 0 "[ . 1 . ]" 1
1083 1 66 GLU HG2 1 67 ASP H . . 4.470 3.752 3.320 4.479 0.009 2 0 "[ . 1 . ]" 1
1084 1 66 GLU HG2 1 68 ASP H . . 4.990 4.880 4.483 5.018 0.028 10 0 "[ . 1 . ]" 1
1085 1 66 GLU HG2 1 69 GLU H . . 5.500 5.481 5.211 5.571 0.071 1 0 "[ . 1 . ]" 1
1086 1 66 GLU HG3 1 67 ASP H . . 5.030 4.562 3.785 5.033 0.003 5 0 "[ . 1 . ]" 1
1087 1 66 GLU HG3 1 69 GLU H . . 5.500 5.372 5.009 5.567 0.067 18 0 "[ . 1 . ]" 1
1088 1 66 GLU QB 1 67 ASP H . . 3.610 2.542 2.353 2.755 . 0 0 "[ . 1 . ]" 1
1089 1 66 GLU QB 1 67 ASP HA . . 4.760 4.478 4.378 4.580 . 0 0 "[ . 1 . ]" 1
1090 1 66 GLU QB 1 68 ASP H . . 4.120 2.490 2.109 2.743 . 0 0 "[ . 1 . ]" 1
1091 1 66 GLU QB 1 69 GLU H . . 4.830 2.778 2.634 2.929 . 0 0 "[ . 1 . ]" 1
1092 1 67 ASP H 1 67 ASP HB2 . . 3.470 2.384 2.233 2.662 . 0 0 "[ . 1 . ]" 1
1093 1 67 ASP H 1 67 ASP HB3 . . 3.230 2.479 2.295 2.829 . 0 0 "[ . 1 . ]" 1
1094 1 67 ASP H 1 68 ASP H . . 3.520 2.840 2.747 2.996 . 0 0 "[ . 1 . ]" 1
1095 1 67 ASP H 1 69 GLU H . . 4.890 4.098 3.946 4.204 . 0 0 "[ . 1 . ]" 1
1096 1 67 ASP H 1 70 ASN H . . 5.340 4.926 4.564 5.156 . 0 0 "[ . 1 . ]" 1
1097 1 67 ASP H 1 70 ASN HD21 . . 5.500 4.945 3.910 5.513 0.013 18 0 "[ . 1 . ]" 1
1098 1 67 ASP H 1 70 ASN HD22 . . 5.500 4.567 3.953 5.045 . 0 0 "[ . 1 . ]" 1
1099 1 67 ASP HA 1 69 GLU H . . 4.100 4.022 3.687 4.122 0.022 2 0 "[ . 1 . ]" 1
1100 1 67 ASP HA 1 70 ASN H . . 4.140 3.726 2.863 4.140 0.000 14 0 "[ . 1 . ]" 1
1101 1 67 ASP HA 1 70 ASN HD21 . . 4.220 3.492 2.339 4.097 . 0 0 "[ . 1 . ]" 1
1102 1 67 ASP HA 1 70 ASN HD22 . . 3.700 2.626 2.277 3.638 . 0 0 "[ . 1 . ]" 1
1103 1 67 ASP HB2 1 70 ASN HD22 . . 4.650 4.134 3.638 4.735 0.085 8 0 "[ . 1 . ]" 1
1104 1 67 ASP HB3 1 68 ASP H . . 3.510 3.181 2.948 3.419 . 0 0 "[ . 1 . ]" 1
1105 1 68 ASP H 1 68 ASP HB2 . . 3.440 2.694 2.405 3.519 0.079 2 0 "[ . 1 . ]" 1
1106 1 68 ASP H 1 68 ASP HB3 . . 3.200 2.502 2.260 2.678 . 0 0 "[ . 1 . ]" 1
1107 1 68 ASP H 1 69 GLU H . . 3.380 2.276 2.209 2.343 . 0 0 "[ . 1 . ]" 1
1108 1 68 ASP H 1 69 GLU HA . . 4.940 4.978 4.950 5.029 0.089 8 0 "[ . 1 . ]" 1
1109 1 68 ASP H 1 70 ASN H . . 4.680 4.238 3.863 4.481 . 0 0 "[ . 1 . ]" 1
1110 1 68 ASP H 1 71 ASP H . . 4.910 4.750 4.469 4.913 0.003 11 0 "[ . 1 . ]" 1
1111 1 68 ASP HA 1 68 ASP HB2 . . 2.820 2.530 2.358 2.700 . 0 0 "[ . 1 . ]" 1
1112 1 68 ASP HA 1 72 MET QG . . 4.480 4.536 4.482 4.584 0.104 17 0 "[ . 1 . ]" 1
1113 1 68 ASP HB2 1 69 GLU H . . 4.140 4.109 3.884 4.191 0.051 3 0 "[ . 1 . ]" 1
1114 1 68 ASP HB3 1 69 GLU H . . 4.020 3.147 2.836 4.079 0.059 2 0 "[ . 1 . ]" 1
1115 1 69 GLU H 1 69 GLU HB2 . . 3.430 2.366 2.275 2.456 . 0 0 "[ . 1 . ]" 1
1116 1 69 GLU H 1 70 ASN H . . 3.440 2.526 2.391 2.735 . 0 0 "[ . 1 . ]" 1
1117 1 69 GLU HA 1 72 MET QG . . 3.650 2.523 2.041 2.922 . 0 0 "[ . 1 . ]" 1
1118 1 69 GLU HB2 1 70 ASN H . . 3.620 2.684 2.345 3.155 . 0 0 "[ . 1 . ]" 1
1119 1 70 ASN H 1 70 ASN HD21 . . 4.960 3.538 2.252 4.150 . 0 0 "[ . 1 . ]" 1
1120 1 70 ASN H 1 70 ASN QB . . 2.930 2.449 2.278 2.690 . 0 0 "[ . 1 . ]" 1
1121 1 70 ASN H 1 71 ASP H . . 3.430 2.751 2.598 2.915 . 0 0 "[ . 1 . ]" 1
1122 1 70 ASN H 1 71 ASP HB2 . . 5.120 4.904 4.678 5.078 . 0 0 "[ . 1 . ]" 1
1123 1 70 ASN H 1 73 LEU HG . . 5.500 4.692 4.447 4.924 . 0 0 "[ . 1 . ]" 1
1124 1 70 ASN HA 1 73 LEU HB2 . . 4.280 3.509 3.292 3.799 . 0 0 "[ . 1 . ]" 1
1125 1 70 ASN HA 1 73 LEU HG . . 3.750 2.182 2.041 2.551 . 0 0 "[ . 1 . ]" 1
1126 1 70 ASN HA 1 74 ASP H . . 4.480 4.521 4.414 4.576 0.096 19 0 "[ . 1 . ]" 1
1127 1 70 ASN QB 1 70 ASN HD22 . . 3.360 3.249 3.206 3.326 . 0 0 "[ . 1 . ]" 1
1128 1 70 ASN QB 1 71 ASP H . . 3.740 3.679 2.908 3.807 0.067 1 0 "[ . 1 . ]" 1
1129 1 70 ASN QB 1 73 LEU HG . . 5.500 3.891 3.629 4.415 . 0 0 "[ . 1 . ]" 1
1130 1 71 ASP H 1 71 ASP HB2 . . 3.560 2.447 2.141 2.634 . 0 0 "[ . 1 . ]" 1
1131 1 71 ASP H 1 71 ASP HB3 . . 2.960 2.694 2.545 2.923 . 0 0 "[ . 1 . ]" 1
1132 1 71 ASP H 1 72 MET H . . 3.780 2.580 2.501 2.640 . 0 0 "[ . 1 . ]" 1
1133 1 71 ASP H 1 72 MET QB . . 5.120 4.684 4.530 4.830 . 0 0 "[ . 1 . ]" 1
1134 1 71 ASP H 1 72 MET QG . . 4.510 3.795 3.562 4.127 . 0 0 "[ . 1 . ]" 1
1135 1 71 ASP H 1 73 LEU HG . . 4.370 4.418 4.386 4.461 0.091 1 0 "[ . 1 . ]" 1
1136 1 71 ASP H 1 74 ASP H . . 5.500 5.042 4.895 5.201 . 0 0 "[ . 1 . ]" 1
1137 1 71 ASP HA 1 71 ASP HB2 . . 3.000 2.575 2.474 2.676 . 0 0 "[ . 1 . ]" 1
1138 1 71 ASP HA 1 74 ASP H . . 3.690 3.379 3.036 3.734 0.044 17 0 "[ . 1 . ]" 1
1139 1 71 ASP HA 1 75 LEU MD2 . . 4.300 4.155 3.771 4.315 0.015 2 0 "[ . 1 . ]" 1
1140 1 71 ASP HB2 1 72 MET H . . 4.290 3.917 3.527 4.228 . 0 0 "[ . 1 . ]" 1
1141 1 71 ASP HB3 1 72 MET H . . 4.180 2.858 2.434 3.615 . 0 0 "[ . 1 . ]" 1
1142 1 71 ASP HB3 1 73 LEU H . . 5.250 4.815 4.613 5.050 . 0 0 "[ . 1 . ]" 1
1143 1 71 ASP HB3 1 75 LEU HG . . 5.120 5.153 5.086 5.208 0.088 15 0 "[ . 1 . ]" 1
1144 1 72 MET H 1 73 LEU H . . 4.080 2.556 2.359 2.651 . 0 0 "[ . 1 . ]" 1
1145 1 72 MET H 1 73 LEU HB2 . . 5.010 4.981 4.779 5.053 0.043 7 0 "[ . 1 . ]" 1
1146 1 72 MET H 1 74 ASP H . . 4.830 4.531 4.382 4.698 . 0 0 "[ . 1 . ]" 1
1147 1 72 MET H 1 75 LEU HG . . 5.500 4.621 4.395 5.046 . 0 0 "[ . 1 . ]" 1
1148 1 72 MET HA 1 75 LEU HG . . 3.960 2.549 2.154 3.450 . 0 0 "[ . 1 . ]" 1
1149 1 72 MET HA 1 75 LEU MD1 . . 3.530 2.693 2.234 3.321 . 0 0 "[ . 1 . ]" 1
1150 1 72 MET QB 1 73 LEU HA . . 4.210 4.168 3.975 4.250 0.040 1 0 "[ . 1 . ]" 1
1151 1 72 MET QG 1 73 LEU HG . . 5.500 4.749 4.275 5.150 . 0 0 "[ . 1 . ]" 1
1152 1 73 LEU H 1 73 LEU HB2 . . 3.620 2.677 2.525 2.814 . 0 0 "[ . 1 . ]" 1
1153 1 73 LEU H 1 73 LEU HB3 . . 4.100 3.621 3.550 3.669 . 0 0 "[ . 1 . ]" 1
1154 1 73 LEU H 1 73 LEU HG . . 4.130 2.130 1.989 2.242 . 0 0 "[ . 1 . ]" 1
1155 1 73 LEU H 1 73 LEU QD . . 5.200 2.858 2.738 3.051 . 0 0 "[ . 1 . ]" 1
1156 1 73 LEU H 1 74 ASP H . . 3.640 2.484 2.366 2.588 . 0 0 "[ . 1 . ]" 1
1157 1 73 LEU H 1 75 LEU H . . 5.450 3.789 3.614 3.964 . 0 0 "[ . 1 . ]" 1
1158 1 73 LEU H 1 76 ALA H . . 5.500 5.493 5.290 5.550 0.050 15 0 "[ . 1 . ]" 1
1159 1 73 LEU H 1 79 LEU MD1 . . 4.300 4.191 3.985 4.375 0.075 8 0 "[ . 1 . ]" 1
1160 1 73 LEU HA 1 73 LEU MD2 . . 4.010 2.304 2.152 2.568 . 0 0 "[ . 1 . ]" 1
1161 1 73 LEU HA 1 73 LEU QD . . 3.920 2.288 2.142 2.539 . 0 0 "[ . 1 . ]" 1
1162 1 73 LEU HA 1 75 LEU HB2 . . 5.410 4.796 4.452 5.089 . 0 0 "[ . 1 . ]" 1
1163 1 73 LEU HA 1 76 ALA H . . 4.060 4.042 3.760 4.117 0.057 6 0 "[ . 1 . ]" 1
1164 1 73 LEU HA 1 76 ALA MB . . 4.050 3.912 3.566 4.059 0.009 2 0 "[ . 1 . ]" 1
1165 1 73 LEU HB2 1 74 ASP H . . 3.820 2.166 1.963 2.333 . 0 0 "[ . 1 . ]" 1
1166 1 73 LEU HB3 1 74 ASP H . . 4.290 3.521 3.235 3.643 . 0 0 "[ . 1 . ]" 1
1167 1 73 LEU HB3 1 74 ASP HA . . 4.910 4.855 4.609 4.947 0.037 3 0 "[ . 1 . ]" 1
1168 1 73 LEU HB3 1 75 LEU H . . 5.500 5.365 5.206 5.513 0.013 7 0 "[ . 1 . ]" 1
1169 1 73 LEU HB3 1 79 LEU MD1 . . 3.630 2.035 1.960 2.121 . 0 0 "[ . 1 . ]" 1
1170 1 73 LEU HB3 1 79 LEU MD2 . . 3.860 3.785 2.355 3.936 0.076 14 0 "[ . 1 . ]" 1
1171 1 73 LEU HG 1 74 ASP H . . 4.290 3.696 3.505 3.843 . 0 0 "[ . 1 . ]" 1
1172 1 73 LEU QD 1 74 ASP H . . 5.500 3.739 3.559 3.877 . 0 0 "[ . 1 . ]" 1
1173 1 73 LEU QD 1 83 SER QB . . 4.470 3.464 2.720 4.314 . 0 0 "[ . 1 . ]" 1
1174 1 73 LEU QD 1 84 ARG H . . 5.500 3.394 2.934 4.098 . 0 0 "[ . 1 . ]" 1
1175 1 73 LEU QD 1 84 ARG HA . . 4.800 3.037 2.114 3.586 . 0 0 "[ . 1 . ]" 1
1176 1 74 ASP H 1 74 ASP HB2 . . 3.040 2.106 1.985 2.221 . 0 0 "[ . 1 . ]" 1
1177 1 74 ASP H 1 74 ASP HB3 . . 3.440 3.195 2.781 3.458 0.018 2 0 "[ . 1 . ]" 1
1178 1 74 ASP H 1 75 LEU H . . 3.570 3.097 2.915 3.216 . 0 0 "[ . 1 . ]" 1
1179 1 74 ASP H 1 75 LEU HB2 . . 5.500 5.511 5.474 5.540 0.040 15 0 "[ . 1 . ]" 1
1180 1 74 ASP H 1 75 LEU HG . . 4.750 4.555 4.244 4.767 0.017 10 0 "[ . 1 . ]" 1
1181 1 74 ASP H 1 75 LEU MD2 . . 5.500 4.677 4.371 5.003 . 0 0 "[ . 1 . ]" 1
1182 1 74 ASP H 1 76 ALA H . . 4.720 4.463 4.241 4.588 . 0 0 "[ . 1 . ]" 1
1183 1 74 ASP H 1 76 ALA MB . . 5.260 5.252 5.152 5.317 0.057 1 0 "[ . 1 . ]" 1
1184 1 74 ASP H 1 79 LEU HB2 . . 5.690 5.141 4.639 5.419 . 0 0 "[ . 1 . ]" 1
1185 1 74 ASP H 1 79 LEU HB3 . . 5.270 5.338 5.290 5.387 0.117 15 0 "[ . 1 . ]" 1
1186 1 74 ASP H 1 79 LEU HG . . 5.900 5.780 5.111 5.946 0.046 8 0 "[ . 1 . ]" 1
1187 1 74 ASP H 1 79 LEU MD1 . . 3.700 2.777 2.446 3.173 . 0 0 "[ . 1 . ]" 1
1188 1 74 ASP H 1 79 LEU MD2 . . 4.490 4.439 3.479 4.550 0.060 1 0 "[ . 1 . ]" 1
1189 1 74 ASP HA 1 79 LEU MD1 . . 3.500 2.455 2.210 2.802 . 0 0 "[ . 1 . ]" 1
1190 1 74 ASP HB2 1 75 LEU H . . 4.010 3.737 3.426 4.029 0.019 11 0 "[ . 1 . ]" 1
1191 1 74 ASP HB2 1 75 LEU HG . . 5.170 4.974 4.702 5.182 0.012 5 0 "[ . 1 . ]" 1
1192 1 74 ASP HB2 1 75 LEU MD2 . . 4.170 4.200 4.155 4.220 0.050 18 0 "[ . 1 . ]" 1
1193 1 74 ASP HB3 1 75 LEU H . . 4.260 3.377 2.795 3.928 . 0 0 "[ . 1 . ]" 1
1194 1 74 ASP HB3 1 75 LEU HG . . 5.100 4.551 3.682 5.132 0.032 14 0 "[ . 1 . ]" 1
1195 1 74 ASP HB3 1 75 LEU MD2 . . 3.890 3.258 2.621 3.893 0.003 3 0 "[ . 1 . ]" 1
1196 1 74 ASP HB3 1 76 ALA H . . 5.500 5.046 4.843 5.177 . 0 0 "[ . 1 . ]" 1
1197 1 75 LEU H 1 75 LEU HB2 . . 3.630 2.599 2.519 2.698 . 0 0 "[ . 1 . ]" 1
1198 1 75 LEU H 1 75 LEU HB3 . . 3.640 3.594 3.537 3.659 0.019 14 0 "[ . 1 . ]" 1
1199 1 75 LEU H 1 75 LEU HG . . 3.180 2.189 2.061 2.284 . 0 0 "[ . 1 . ]" 1
1200 1 75 LEU H 1 75 LEU MD1 . . 3.730 3.741 3.658 3.779 0.049 16 0 "[ . 1 . ]" 1
1201 1 75 LEU H 1 75 LEU MD2 . . 4.310 2.749 2.536 2.964 . 0 0 "[ . 1 . ]" 1
1202 1 75 LEU H 1 76 ALA H . . 3.250 2.641 2.497 2.737 . 0 0 "[ . 1 . ]" 1
1203 1 75 LEU H 1 76 ALA MB . . 5.040 4.336 4.173 4.461 . 0 0 "[ . 1 . ]" 1
1204 1 75 LEU HA 1 75 LEU MD2 . . 3.020 2.288 2.234 2.373 . 0 0 "[ . 1 . ]" 1
1205 1 75 LEU HB3 1 75 LEU MD1 . . 2.620 2.284 2.201 2.382 . 0 0 "[ . 1 . ]" 1
1206 1 75 LEU HB3 1 75 LEU MD2 . . 3.140 2.614 2.553 2.686 . 0 0 "[ . 1 . ]" 1
1207 1 75 LEU HB3 1 76 ALA H . . 5.420 4.159 4.007 4.445 . 0 0 "[ . 1 . ]" 1
1208 1 76 ALA H 1 76 ALA MB . . 3.420 2.276 2.203 2.407 . 0 0 "[ . 1 . ]" 1
1209 1 76 ALA H 1 77 TYR H . . 4.960 4.582 4.472 4.642 . 0 0 "[ . 1 . ]" 1
1210 1 76 ALA H 1 79 LEU MD1 . . 5.400 3.902 3.455 4.282 . 0 0 "[ . 1 . ]" 1
1211 1 76 ALA HA 1 77 TYR H . . 3.030 2.304 2.192 2.495 . 0 0 "[ . 1 . ]" 1
1212 1 76 ALA HA 1 77 TYR HB3 . . 4.780 4.671 4.460 4.799 0.019 19 0 "[ . 1 . ]" 1
1213 1 76 ALA MB 1 77 TYR H . . 3.970 2.678 2.339 3.027 . 0 0 "[ . 1 . ]" 1
1214 1 76 ALA MB 1 77 TYR HA . . 5.500 4.441 4.252 4.569 . 0 0 "[ . 1 . ]" 1
1215 1 76 ALA MB 1 77 TYR HB3 . . 5.500 4.381 4.065 4.959 . 0 0 "[ . 1 . ]" 1
1216 1 76 ALA MB 1 79 LEU H . . 5.160 4.987 4.593 5.195 0.035 14 0 "[ . 1 . ]" 1
1217 1 77 TYR H 1 77 TYR HB2 . . 3.530 2.664 2.371 3.539 0.009 3 0 "[ . 1 . ]" 1
1218 1 77 TYR H 1 77 TYR HB3 . . 3.570 2.432 2.275 2.997 . 0 0 "[ . 1 . ]" 1
1219 1 77 TYR H 1 77 TYR QB . . 3.410 2.244 2.126 2.844 . 0 0 "[ . 1 . ]" 1
1220 1 77 TYR H 1 77 TYR QD . . 4.220 4.102 2.528 4.225 0.005 2 0 "[ . 1 . ]" 1
1221 1 77 TYR H 1 78 GLY H . . 5.490 4.631 4.524 4.686 . 0 0 "[ . 1 . ]" 1
1222 1 77 TYR HA 1 77 TYR QD . . 3.510 2.763 2.429 3.555 0.045 3 0 "[ . 1 . ]" 1
1223 1 77 TYR HA 1 77 TYR QE . . 5.170 4.709 4.488 5.253 0.083 3 0 "[ . 1 . ]" 1
1224 1 77 TYR HA 1 78 GLY H . . 3.570 2.178 2.065 2.279 . 0 0 "[ . 1 . ]" 1
1225 1 77 TYR HA 1 78 GLY HA3 . . 4.860 4.309 4.122 4.534 . 0 0 "[ . 1 . ]" 1
1226 1 77 TYR HA 1 79 LEU H . . 4.220 4.157 3.975 4.264 0.044 5 0 "[ . 1 . ]" 1
1227 1 77 TYR HB2 1 78 GLY H . . 5.030 3.910 2.663 4.182 . 0 0 "[ . 1 . ]" 1
1228 1 77 TYR HB2 1 78 GLY HA3 . . 5.100 5.100 3.804 5.212 0.112 19 0 "[ . 1 . ]" 1
1229 1 77 TYR HB3 1 78 GLY H . . 5.060 4.041 3.533 4.218 . 0 0 "[ . 1 . ]" 1
1230 1 77 TYR QB 1 78 GLY HA3 . . 4.260 4.104 3.729 4.291 0.031 7 0 "[ . 1 . ]" 1
1231 1 77 TYR QD 1 78 GLY H . . 3.920 3.153 2.720 3.977 0.057 3 0 "[ . 1 . ]" 1
1232 1 77 TYR QD 1 78 GLY HA2 . . 5.490 4.214 3.968 5.015 . 0 0 "[ . 1 . ]" 1
1233 1 77 TYR QD 1 78 GLY HA3 . . 4.640 3.166 2.807 3.694 . 0 0 "[ . 1 . ]" 1
1234 1 78 GLY H 1 79 LEU H . . 4.190 2.885 2.655 3.128 . 0 0 "[ . 1 . ]" 1
1235 1 78 GLY HA2 1 79 LEU H . . 3.540 2.870 2.794 2.949 . 0 0 "[ . 1 . ]" 1
1236 1 78 GLY HA2 1 79 LEU HB2 . . 5.100 5.128 4.983 5.185 0.085 6 0 "[ . 1 . ]" 1
1237 1 79 LEU H 1 79 LEU HB2 . . 3.140 2.307 2.102 2.463 . 0 0 "[ . 1 . ]" 1
1238 1 79 LEU H 1 79 LEU HB3 . . 2.780 2.566 2.417 2.801 0.021 8 0 "[ . 1 . ]" 1
1239 1 79 LEU H 1 79 LEU MD1 . . 4.170 4.085 3.705 4.188 0.018 12 0 "[ . 1 . ]" 1
1240 1 79 LEU H 1 80 THR H . . 4.840 4.591 4.536 4.727 . 0 0 "[ . 1 . ]" 1
1241 1 79 LEU HA 1 79 LEU HG . . 3.930 2.330 2.102 2.527 . 0 0 "[ . 1 . ]" 1
1242 1 79 LEU HA 1 79 LEU MD2 . . 3.280 3.336 3.303 3.393 0.113 8 0 "[ . 1 . ]" 1
1243 1 79 LEU HA 1 80 THR H . . 3.060 2.094 2.006 2.339 . 0 0 "[ . 1 . ]" 1
1244 1 79 LEU HB2 1 79 LEU MD1 . . 2.830 2.193 2.141 2.253 . 0 0 "[ . 1 . ]" 1
1245 1 79 LEU HB2 1 80 THR H . . 4.810 4.059 3.918 4.210 . 0 0 "[ . 1 . ]" 1
1246 1 79 LEU HB3 1 79 LEU MD2 . . 3.570 2.239 2.129 2.348 . 0 0 "[ . 1 . ]" 1
1247 1 79 LEU HG 1 80 THR H . . 4.120 2.413 1.964 2.706 . 0 0 "[ . 1 . ]" 1
1248 1 79 LEU HG 1 83 SER H . . 4.510 4.583 4.530 4.626 0.116 3 0 "[ . 1 . ]" 1
1249 1 79 LEU HG 1 83 SER HA . . 5.300 4.444 4.143 4.859 . 0 0 "[ . 1 . ]" 1
1250 1 79 LEU MD1 1 80 THR H . . 5.090 4.076 3.724 4.311 . 0 0 "[ . 1 . ]" 1
1251 1 79 LEU MD2 1 80 THR H . . 3.900 2.838 2.484 3.113 . 0 0 "[ . 1 . ]" 1
1252 1 79 LEU MD2 1 83 SER H . . 4.070 3.559 3.249 3.908 . 0 0 "[ . 1 . ]" 1
1253 1 79 LEU MD2 1 83 SER HA . . 4.340 4.400 4.351 4.432 0.092 15 0 "[ . 1 . ]" 1
1254 1 79 LEU MD2 1 83 SER QB . . 3.730 2.018 1.894 2.250 . 0 0 "[ . 1 . ]" 1
1255 1 80 THR H 1 80 THR MG . . 3.880 3.600 3.272 3.883 0.003 1 0 "[ . 1 . ]" 1
1256 1 80 THR H 1 81 GLU H . . 5.100 4.580 4.474 4.670 . 0 0 "[ . 1 . ]" 1
1257 1 80 THR H 1 82 THR H . . 4.790 4.730 4.430 4.842 0.052 6 0 "[ . 1 . ]" 1
1258 1 80 THR H 1 83 SER H . . 4.120 4.044 3.778 4.152 0.032 9 0 "[ . 1 . ]" 1
1259 1 80 THR H 1 83 SER HA . . 4.750 4.466 4.032 4.815 0.065 16 0 "[ . 1 . ]" 1
1260 1 80 THR H 1 83 SER QB . . 4.130 2.425 2.182 2.784 . 0 0 "[ . 1 . ]" 1
1261 1 80 THR HA 1 80 THR MG . . 3.220 2.233 2.155 2.320 . 0 0 "[ . 1 . ]" 1
1262 1 80 THR HA 1 81 GLU H . . 3.100 2.377 2.211 2.674 . 0 0 "[ . 1 . ]" 1
1263 1 80 THR HA 1 81 GLU HG2 . . 5.500 4.837 3.794 5.552 0.052 3 0 "[ . 1 . ]" 1
1264 1 80 THR HA 1 82 THR H . . 4.540 4.226 4.111 4.551 0.011 8 0 "[ . 1 . ]" 1
1265 1 80 THR HB 1 81 GLU H . . 3.120 3.017 2.741 3.186 0.066 19 0 "[ . 1 . ]" 1
1266 1 80 THR HB 1 81 GLU HA . . 4.850 4.767 4.638 4.901 0.051 1 0 "[ . 1 . ]" 1
1267 1 80 THR HB 1 82 THR H . . 4.080 2.353 2.143 2.729 . 0 0 "[ . 1 . ]" 1
1268 1 80 THR HB 1 83 SER HA . . 5.500 4.140 3.803 4.396 . 0 0 "[ . 1 . ]" 1
1269 1 80 THR MG 1 81 GLU H . . 4.110 2.113 1.800 2.557 . 0 0 "[ . 1 . ]" 1
1270 1 80 THR MG 1 81 GLU HB2 . . 3.810 3.607 3.039 3.927 0.117 2 0 "[ . 1 . ]" 1
1271 1 80 THR MG 1 82 THR H . . 4.510 3.064 2.492 3.639 . 0 0 "[ . 1 . ]" 1
1272 1 80 THR MG 1 83 SER HA . . 5.460 5.384 4.945 5.490 0.030 1 0 "[ . 1 . ]" 1
1273 1 81 GLU H 1 81 GLU HB2 . . 3.350 2.485 2.065 3.239 . 0 0 "[ . 1 . ]" 1
1274 1 81 GLU H 1 81 GLU HB3 . . 3.850 3.388 1.914 3.630 . 0 0 "[ . 1 . ]" 1
1275 1 81 GLU H 1 81 GLU HG2 . . 3.950 3.141 2.097 3.842 . 0 0 "[ . 1 . ]" 1
1276 1 81 GLU H 1 82 THR H . . 3.720 2.854 2.644 2.959 . 0 0 "[ . 1 . ]" 1
1277 1 81 GLU H 1 82 THR HA . . 5.500 5.503 5.384 5.574 0.074 1 0 "[ . 1 . ]" 1
1278 1 81 GLU H 1 82 THR MG . . 5.500 4.617 4.309 4.823 . 0 0 "[ . 1 . ]" 1
1279 1 81 GLU H 1 83 SER H . . 5.110 4.406 4.273 4.581 . 0 0 "[ . 1 . ]" 1
1280 1 81 GLU HA 1 81 GLU HG2 . . 3.730 2.931 2.339 3.789 0.059 2 0 "[ . 1 . ]" 1
1281 1 81 GLU HA 1 81 GLU QG . . 3.560 2.625 2.298 3.299 . 0 0 "[ . 1 . ]" 1
1282 1 81 GLU HA 1 82 THR HA . . 4.730 4.573 4.374 4.722 . 0 0 "[ . 1 . ]" 1
1283 1 81 GLU HA 1 82 THR MG . . 4.910 4.595 4.359 4.788 . 0 0 "[ . 1 . ]" 1
1284 1 81 GLU HA 1 83 SER H . . 4.240 3.982 3.681 4.255 0.015 1 0 "[ . 1 . ]" 1
1285 1 81 GLU HB2 1 82 THR MG . . 4.040 3.470 2.902 4.055 0.015 2 0 "[ . 1 . ]" 1
1286 1 81 GLU HB3 1 82 THR H . . 4.990 4.015 3.643 4.339 . 0 0 "[ . 1 . ]" 1
1287 1 81 GLU HB3 1 82 THR MG . . 4.260 3.706 2.941 4.315 0.055 2 0 "[ . 1 . ]" 1
1288 1 82 THR H 1 82 THR MG . . 4.100 2.997 2.857 3.155 . 0 0 "[ . 1 . ]" 1
1289 1 82 THR H 1 83 SER H . . 3.170 2.492 2.393 2.701 . 0 0 "[ . 1 . ]" 1
1290 1 82 THR H 1 83 SER HA . . 4.410 4.430 4.372 4.456 0.046 5 0 "[ . 1 . ]" 1
1291 1 82 THR H 1 83 SER QB . . 5.080 4.044 3.628 4.354 . 0 0 "[ . 1 . ]" 1
1292 1 82 THR HA 1 82 THR MG . . 3.350 2.386 2.281 2.462 . 0 0 "[ . 1 . ]" 1
1293 1 82 THR HA 1 83 SER H . . 3.050 3.048 2.969 3.076 0.026 17 0 "[ . 1 . ]" 1
1294 1 82 THR HB 1 83 SER H . . 4.400 4.460 4.449 4.475 0.075 18 0 "[ . 1 . ]" 1
1295 1 82 THR MG 1 83 SER H . . 5.070 4.475 4.401 4.528 . 0 0 "[ . 1 . ]" 1
1296 1 83 SER H 1 83 SER QB . . 2.990 2.296 2.093 2.816 . 0 0 "[ . 1 . ]" 1
1297 1 83 SER HA 1 84 ARG H . . 3.030 2.246 2.142 2.337 . 0 0 "[ . 1 . ]" 1
1298 1 83 SER QB 1 84 ARG H . . 3.880 3.273 2.673 3.641 . 0 0 "[ . 1 . ]" 1
1299 1 84 ARG H 1 84 ARG HG2 . . 5.250 4.004 3.387 5.205 . 0 0 "[ . 1 . ]" 1
1300 1 84 ARG HA 1 84 ARG HD2 . . 3.810 3.058 1.985 3.880 0.070 11 0 "[ . 1 . ]" 1
1301 1 84 ARG HA 1 84 ARG HD3 . . 4.650 3.695 1.963 4.647 . 0 0 "[ . 1 . ]" 1
1302 1 84 ARG HA 1 84 ARG HG3 . . 4.110 3.536 2.417 3.793 . 0 0 "[ . 1 . ]" 1
1303 1 84 ARG HA 1 85 LEU H . . 3.540 2.238 2.021 2.537 . 0 0 "[ . 1 . ]" 1
1304 1 84 ARG HA 1 85 LEU HB3 . . 4.580 4.404 3.858 4.736 0.156 10 0 "[ . 1 . ]" 1
1305 1 84 ARG HB2 1 89 ILE MG . . 3.860 3.943 3.907 3.990 0.130 3 0 "[ . 1 . ]" 1
1306 1 84 ARG HB3 1 85 LEU H . . 5.480 2.920 2.009 3.912 . 0 0 "[ . 1 . ]" 1
1307 1 84 ARG HD2 1 89 ILE MG . . 5.500 3.750 2.198 4.786 . 0 0 "[ . 1 . ]" 1
1308 1 84 ARG HD3 1 89 ILE MG . . 5.500 3.536 2.266 4.768 . 0 0 "[ . 1 . ]" 1
1309 1 85 LEU HB3 1 85 LEU MD2 . . 2.480 2.316 2.146 2.475 . 0 0 "[ . 1 . ]" 1
1310 1 89 ILE H 1 89 ILE HB . . 3.810 3.243 2.566 3.646 . 0 0 "[ . 1 . ]" 1
1311 1 89 ILE H 1 89 ILE MD . . 4.830 4.429 4.073 4.834 0.004 1 0 "[ . 1 . ]" 1
1312 1 89 ILE H 1 90 LYS H . . 4.870 4.358 4.164 4.596 . 0 0 "[ . 1 . ]" 1
1313 1 89 ILE HA 1 89 ILE HG13 . . 4.210 3.148 3.087 3.302 . 0 0 "[ . 1 . ]" 1
1314 1 89 ILE HA 1 89 ILE MD . . 3.570 2.187 1.969 3.448 . 0 0 "[ . 1 . ]" 1
1315 1 89 ILE HA 1 90 LYS H . . 2.800 2.160 2.024 2.272 . 0 0 "[ . 1 . ]" 1
1316 1 89 ILE HB 1 89 ILE MD . . 3.540 2.493 2.392 3.145 . 0 0 "[ . 1 . ]" 1
1317 1 89 ILE HB 1 90 LYS H . . 4.570 4.057 3.932 4.272 . 0 0 "[ . 1 . ]" 1
1318 1 89 ILE HG13 1 90 LYS H . . 3.540 2.829 2.479 3.632 0.092 1 0 "[ . 1 . ]" 1
1319 1 89 ILE MD 1 90 LYS H . . 3.930 1.986 1.842 2.584 . 0 0 "[ . 1 . ]" 1
1320 1 89 ILE MD 1 90 LYS HA . . 4.490 4.431 3.996 4.530 0.040 14 0 "[ . 1 . ]" 1
1321 1 89 ILE MD 1 90 LYS HG3 . . 4.550 3.589 2.847 4.561 0.011 1 0 "[ . 1 . ]" 1
1322 1 89 ILE MD 1 90 LYS QE . . 5.500 4.302 3.514 5.181 . 0 0 "[ . 1 . ]" 1
1323 1 89 ILE MG 1 90 LYS H . . 5.180 3.850 3.558 4.115 . 0 0 "[ . 1 . ]" 1
1324 1 89 ILE MG 1 90 LYS HG3 . . 5.170 5.220 5.177 5.242 0.072 5 0 "[ . 1 . ]" 1
1325 1 90 LYS H 1 90 LYS HB2 . . 3.560 3.640 3.576 3.662 0.102 17 0 "[ . 1 . ]" 1
1326 1 90 LYS H 1 90 LYS HB3 . . 3.970 3.457 3.192 3.579 . 0 0 "[ . 1 . ]" 1
1327 1 90 LYS H 1 90 LYS HG2 . . 3.830 3.788 3.517 3.850 0.020 12 0 "[ . 1 . ]" 1
1328 1 90 LYS H 1 90 LYS HG3 . . 4.660 2.288 1.965 2.434 . 0 0 "[ . 1 . ]" 1
1329 1 90 LYS H 1 90 LYS QD . . 3.880 2.454 2.179 3.155 . 0 0 "[ . 1 . ]" 1
1330 1 90 LYS H 1 90 LYS QE . . 5.500 4.044 3.572 4.441 . 0 0 "[ . 1 . ]" 1
1331 1 90 LYS HA 1 90 LYS HG3 . . 4.180 3.687 3.630 3.724 . 0 0 "[ . 1 . ]" 1
1332 1 90 LYS HA 1 90 LYS QD . . 4.390 3.821 3.745 3.949 . 0 0 "[ . 1 . ]" 1
1333 1 90 LYS HA 1 91 MET H . . 2.980 2.401 2.303 2.533 . 0 0 "[ . 1 . ]" 1
1334 1 90 LYS HA 1 91 MET QB . . 4.930 4.719 4.634 4.828 . 0 0 "[ . 1 . ]" 1
1335 1 90 LYS HB2 1 91 MET H . . 3.450 2.312 2.150 2.464 . 0 0 "[ . 1 . ]" 1
1336 1 90 LYS HB3 1 90 LYS QE . . 4.710 4.225 3.400 4.451 . 0 0 "[ . 1 . ]" 1
1337 1 90 LYS HB3 1 91 MET HG2 . . 5.500 5.112 4.873 5.326 . 0 0 "[ . 1 . ]" 1
1338 1 90 LYS QE 1 90 LYS HG2 . . 3.720 2.317 2.131 2.528 . 0 0 "[ . 1 . ]" 1
1339 1 90 LYS HG2 1 91 MET H . . 4.870 4.755 4.572 4.872 0.002 11 0 "[ . 1 . ]" 1
1340 1 90 LYS QD 1 91 MET H . . 3.780 3.645 3.383 3.790 0.010 4 0 "[ . 1 . ]" 1
1341 1 90 LYS QD 1 91 MET HA . . 4.640 4.356 4.139 4.565 . 0 0 "[ . 1 . ]" 1
1342 1 90 LYS QD 1 91 MET QB . . 4.860 4.521 4.082 4.959 0.099 4 0 "[ . 1 . ]" 1
1343 1 90 LYS QD 1 92 SER H . . 4.790 4.639 4.161 4.827 0.037 13 0 "[ . 1 . ]" 1
1344 1 91 MET H 1 91 MET HG2 . . 4.140 2.119 2.017 2.311 . 0 0 "[ . 1 . ]" 1
1345 1 91 MET H 1 91 MET HG3 . . 3.930 3.599 3.524 3.753 . 0 0 "[ . 1 . ]" 1
1346 1 91 MET H 1 91 MET QB . . 3.570 2.553 2.423 2.603 . 0 0 "[ . 1 . ]" 1
1347 1 91 MET H 1 92 SER H . . 4.720 4.639 4.579 4.687 . 0 0 "[ . 1 . ]" 1
1348 1 91 MET HA 1 92 SER H . . 2.820 2.186 2.101 2.248 . 0 0 "[ . 1 . ]" 1
1349 1 91 MET HA 1 92 SER HB3 . . 5.340 4.563 4.399 5.415 0.075 4 0 "[ . 1 . ]" 1
1350 1 91 MET HA 1 95 ILE MD . . 3.700 2.720 1.888 3.091 . 0 0 "[ . 1 . ]" 1
1351 1 91 MET HG2 1 92 SER H . . 5.290 5.243 4.999 5.305 0.015 15 0 "[ . 1 . ]" 1
1352 1 91 MET HG3 1 95 ILE MD . . 4.740 3.489 2.754 4.118 . 0 0 "[ . 1 . ]" 1
1353 1 91 MET QB 1 92 SER H . . 4.640 3.019 2.727 3.267 . 0 0 "[ . 1 . ]" 1
1354 1 91 MET QB 1 95 ILE MD . . 4.950 2.364 2.192 2.879 . 0 0 "[ . 1 . ]" 1
1355 1 92 SER H 1 92 SER HB3 . . 3.980 3.314 3.123 3.909 . 0 0 "[ . 1 . ]" 1
1356 1 92 SER H 1 95 ILE HB . . 4.700 4.076 3.819 4.703 0.003 8 0 "[ . 1 . ]" 1
1357 1 92 SER H 1 95 ILE HG12 . . 3.580 1.788 1.593 2.134 . 0 0 "[ . 1 . ]" 1
1358 1 92 SER H 1 95 ILE HG13 . . 3.640 3.109 2.556 3.457 . 0 0 "[ . 1 . ]" 1
1359 1 92 SER H 1 95 ILE MD . . 3.800 3.113 1.946 3.476 . 0 0 "[ . 1 . ]" 1
1360 1 92 SER H 1 95 ILE MG . . 4.740 2.352 1.835 3.817 . 0 0 "[ . 1 . ]" 1
1361 1 92 SER HA 1 93 LYS H . . 3.300 2.599 2.552 2.656 . 0 0 "[ . 1 . ]" 1
1362 1 92 SER HA 1 94 ASP H . . 4.530 4.343 4.208 4.556 0.026 8 0 "[ . 1 . ]" 1
1363 1 92 SER HA 1 95 ILE H . . 5.500 5.030 4.839 5.347 . 0 0 "[ . 1 . ]" 1
1364 1 92 SER HA 1 95 ILE HG13 . . 5.490 5.195 4.921 5.392 . 0 0 "[ . 1 . ]" 1
1365 1 92 SER HA 1 95 ILE MD . . 5.380 5.201 4.538 5.399 0.019 14 0 "[ . 1 . ]" 1
1366 1 92 SER HB2 1 93 LYS H . . 3.500 2.459 2.242 3.510 0.010 4 0 "[ . 1 . ]" 1
1367 1 92 SER HB2 1 94 ASP H . . 4.060 3.283 2.880 3.488 . 0 0 "[ . 1 . ]" 1
1368 1 92 SER HB2 1 95 ILE H . . 5.110 4.898 3.666 5.128 0.018 11 0 "[ . 1 . ]" 1
1369 1 92 SER HB3 1 93 LYS H . . 4.210 3.802 2.662 3.979 . 0 0 "[ . 1 . ]" 1
1370 1 92 SER HB3 1 94 ASP H . . 4.730 4.347 3.376 4.642 . 0 0 "[ . 1 . ]" 1
1371 1 92 SER HB3 1 95 ILE H . . 5.500 5.351 4.876 5.528 0.028 18 0 "[ . 1 . ]" 1
1372 1 93 LYS H 1 93 LYS HB2 . . 3.550 2.822 2.126 3.593 0.043 15 0 "[ . 1 . ]" 1
1373 1 93 LYS H 1 93 LYS HG2 . . 4.360 3.027 2.089 4.419 0.059 6 0 "[ . 1 . ]" 1
1374 1 93 LYS H 1 94 ASP H . . 3.810 2.863 2.623 3.006 . 0 0 "[ . 1 . ]" 1
1375 1 93 LYS H 1 94 ASP HA . . 5.500 5.457 5.223 5.551 0.051 18 0 "[ . 1 . ]" 1
1376 1 93 LYS H 1 95 ILE H . . 5.500 4.477 4.332 4.564 . 0 0 "[ . 1 . ]" 1
1377 1 93 LYS HA 1 93 LYS HE2 . . 4.540 4.390 2.676 4.627 0.087 11 0 "[ . 1 . ]" 1
1378 1 93 LYS HA 1 93 LYS HG2 . . 3.840 3.067 2.148 3.854 0.014 15 0 "[ . 1 . ]" 1
1379 1 93 LYS HA 1 95 ILE H . . 4.780 3.635 3.434 3.841 . 0 0 "[ . 1 . ]" 1
1380 1 93 LYS HA 1 95 ILE HG13 . . 4.290 4.299 4.079 4.366 0.076 19 0 "[ . 1 . ]" 1
1381 1 93 LYS HB2 1 94 ASP H . . 4.220 3.791 3.254 4.239 0.019 3 0 "[ . 1 . ]" 1
1382 1 94 ASP H 1 94 ASP HB2 . . 3.660 2.346 2.168 2.533 . 0 0 "[ . 1 . ]" 1
1383 1 94 ASP H 1 94 ASP HB3 . . 3.830 3.312 2.498 3.629 . 0 0 "[ . 1 . ]" 1
1384 1 94 ASP H 1 95 ILE H . . 3.830 2.557 2.418 2.723 . 0 0 "[ . 1 . ]" 1
1385 1 94 ASP H 1 95 ILE HG12 . . 5.450 4.655 3.793 5.043 . 0 0 "[ . 1 . ]" 1
1386 1 94 ASP H 1 95 ILE HG13 . . 4.700 4.719 4.573 4.774 0.074 4 0 "[ . 1 . ]" 1
1387 1 94 ASP H 1 95 ILE MG . . 5.500 3.317 2.938 3.689 . 0 0 "[ . 1 . ]" 1
1388 1 94 ASP HA 1 96 ASP H . . 5.060 4.091 3.614 4.644 . 0 0 "[ . 1 . ]" 1
1389 1 94 ASP HB2 1 95 ILE H . . 4.240 3.523 3.097 4.241 0.001 10 0 "[ . 1 . ]" 1
1390 1 94 ASP HB2 1 95 ILE MG . . 4.550 3.290 2.124 4.554 0.004 15 0 "[ . 1 . ]" 1
1391 1 94 ASP HB3 1 95 ILE H . . 4.190 3.747 2.875 4.126 . 0 0 "[ . 1 . ]" 1
1392 1 94 ASP HB3 1 95 ILE HA . . 4.230 4.248 4.114 4.292 0.062 19 0 "[ . 1 . ]" 1
1393 1 95 ILE H 1 95 ILE HG12 . . 3.490 3.005 2.313 3.212 . 0 0 "[ . 1 . ]" 1
1394 1 95 ILE H 1 95 ILE HG13 . . 3.800 2.519 2.387 2.612 . 0 0 "[ . 1 . ]" 1
1395 1 95 ILE H 1 95 ILE MD . . 4.490 3.991 3.803 4.087 . 0 0 "[ . 1 . ]" 1
1396 1 95 ILE H 1 95 ILE MG . . 4.260 2.298 2.135 2.649 . 0 0 "[ . 1 . ]" 1
1397 1 95 ILE H 1 96 ASP H . . 3.680 2.793 2.570 3.073 . 0 0 "[ . 1 . ]" 1
1398 1 95 ILE H 1 96 ASP HA . . 5.050 4.696 4.446 4.930 . 0 0 "[ . 1 . ]" 1
1399 1 95 ILE H 1 96 ASP HB3 . . 4.980 4.968 4.571 5.023 0.043 14 0 "[ . 1 . ]" 1
1400 1 95 ILE H 1 98 ILE HB . . 5.500 5.298 5.177 5.461 . 0 0 "[ . 1 . ]" 1
1401 1 95 ILE HA 1 95 ILE MG . . 3.370 2.450 2.387 2.490 . 0 0 "[ . 1 . ]" 1
1402 1 95 ILE HA 1 97 GLY H . . 4.500 4.534 4.458 4.582 0.082 4 0 "[ . 1 . ]" 1
1403 1 95 ILE HA 1 98 ILE H . . 3.810 3.833 3.752 3.897 0.087 8 0 "[ . 1 . ]" 1
1404 1 95 ILE HA 1 98 ILE HB . . 4.500 2.972 2.590 4.002 . 0 0 "[ . 1 . ]" 1
1405 1 95 ILE HA 1 98 ILE HG12 . . 4.710 4.634 3.863 4.748 0.038 7 0 "[ . 1 . ]" 1
1406 1 95 ILE HB 1 95 ILE MD . . 3.680 2.205 2.149 2.261 . 0 0 "[ . 1 . ]" 1
1407 1 95 ILE HB 1 96 ASP H . . 4.800 4.489 4.412 4.540 . 0 0 "[ . 1 . ]" 1
1408 1 95 ILE HB 1 97 GLY H . . 5.320 4.374 4.247 4.462 . 0 0 "[ . 1 . ]" 1
1409 1 95 ILE HB 1 98 ILE H . . 4.140 3.486 3.202 3.619 . 0 0 "[ . 1 . ]" 1
1410 1 95 ILE HB 1 98 ILE MG . . 4.290 2.512 2.185 3.638 . 0 0 "[ . 1 . ]" 1
1411 1 95 ILE HG13 1 96 ASP H . . 4.860 3.228 2.873 3.699 . 0 0 "[ . 1 . ]" 1
1412 1 95 ILE HG13 1 96 ASP HA . . 5.500 3.296 3.008 3.543 . 0 0 "[ . 1 . ]" 1
1413 1 95 ILE HG13 1 97 GLY H . . 4.060 4.148 4.113 4.187 0.127 3 0 "[ . 1 . ]" 1
1414 1 95 ILE HG13 1 98 ILE MG . . 4.490 4.050 3.909 4.393 . 0 0 "[ . 1 . ]" 1
1415 1 95 ILE MD 1 97 GLY H . . 4.090 3.103 2.603 4.102 0.012 5 0 "[ . 1 . ]" 1
1416 1 95 ILE MD 1 98 ILE H . . 4.760 3.207 3.040 3.552 . 0 0 "[ . 1 . ]" 1
1417 1 95 ILE MG 1 96 ASP HA . . 5.500 5.420 5.191 5.563 0.063 8 0 "[ . 1 . ]" 1
1418 1 96 ASP H 1 96 ASP HB2 . . 3.260 2.540 2.286 3.389 0.129 7 0 "[ . 1 . ]" 1
1419 1 96 ASP H 1 96 ASP HB3 . . 2.960 2.374 2.163 2.593 . 0 0 "[ . 1 . ]" 1
1420 1 96 ASP H 1 97 GLY H . . 4.550 3.934 3.840 4.012 . 0 0 "[ . 1 . ]" 1
1421 1 96 ASP HA 1 97 GLY H . . 3.160 2.163 2.101 2.277 . 0 0 "[ . 1 . ]" 1
1422 1 96 ASP HB2 1 97 GLY H . . 5.060 4.412 4.083 4.530 . 0 0 "[ . 1 . ]" 1
1423 1 96 ASP HB3 1 97 GLY H . . 4.430 4.453 4.433 4.474 0.044 9 0 "[ . 1 . ]" 1
1424 1 97 GLY H 1 98 ILE H . . 3.580 1.964 1.867 2.081 . 0 0 "[ . 1 . ]" 1
1425 1 98 ILE H 1 98 ILE HB . . 3.200 2.188 1.931 2.295 . 0 0 "[ . 1 . ]" 1
1426 1 98 ILE H 1 98 ILE MD . . 4.520 4.459 4.329 4.533 0.013 8 0 "[ . 1 . ]" 1
1427 1 98 ILE MD 1 99 ARG HA . . 5.500 3.340 3.217 3.737 . 0 0 "[ . 1 . ]" 1
1428 1 98 ILE MD 1 99 ARG HB3 . . 4.900 4.378 3.960 4.533 . 0 0 "[ . 1 . ]" 1
1429 1 98 ILE MG 1 100 VAL MG2 . . 4.980 4.307 3.720 4.524 . 0 0 "[ . 1 . ]" 1
1430 1 99 ARG HA 1 100 VAL H . . 3.040 2.196 2.150 2.248 . 0 0 "[ . 1 . ]" 1
1431 1 99 ARG HA 1 100 VAL MG1 . . 4.850 4.212 4.165 4.303 . 0 0 "[ . 1 . ]" 1
1432 1 99 ARG HA 1 100 VAL MG2 . . 4.860 3.761 3.577 3.938 . 0 0 "[ . 1 . ]" 1
1433 1 99 ARG HA 1 99 ARG QD . . 5.100 4.171 4.077 4.251 . 0 0 "[ . 1 . ]" 1
1434 1 99 ARG HB2 1 100 VAL H . . 4.660 4.189 4.096 4.249 . 0 0 "[ . 1 . ]" 1
1435 1 99 ARG HB2 1 100 VAL HA . . 4.890 5.032 4.991 5.074 0.184 11 0 "[ . 1 . ]" 1
1436 1 99 ARG HB2 1 99 ARG QD . . 3.170 2.891 2.239 3.204 0.034 11 0 "[ . 1 . ]" 1
1437 1 99 ARG HG2 1 100 VAL H . . 5.040 2.402 2.102 2.813 . 0 0 "[ . 1 . ]" 1
1438 1 99 ARG HG2 1 100 VAL MG2 . . 5.280 4.407 4.143 4.760 . 0 0 "[ . 1 . ]" 1
1439 1 99 ARG HG3 1 100 VAL H . . 5.000 3.717 3.540 3.949 . 0 0 "[ . 1 . ]" 1
1440 1 99 ARG QD 1 100 VAL H . . 5.500 4.097 3.599 4.629 . 0 0 "[ . 1 . ]" 1
1441 1 100 VAL H 1 100 VAL MG1 . . 4.210 3.405 3.349 3.454 . 0 0 "[ . 1 . ]" 1
1442 1 100 VAL H 1 100 VAL MG2 . . 3.700 2.429 2.367 2.501 . 0 0 "[ . 1 . ]" 1
1443 1 100 VAL HA 1 100 VAL MG1 . . 3.350 2.418 2.356 2.461 . 0 0 "[ . 1 . ]" 1
1444 1 100 VAL HA 1 101 ALA H . . 3.210 2.441 2.311 2.511 . 0 0 "[ . 1 . ]" 1
1445 1 100 VAL HA 1 101 ALA MB . . 4.040 4.050 4.013 4.076 0.036 4 0 "[ . 1 . ]" 1
1446 1 100 VAL HB 1 101 ALA H . . 4.000 2.538 2.426 2.677 . 0 0 "[ . 1 . ]" 1
1447 1 100 VAL HB 1 101 ALA HA . . 4.550 4.379 4.264 4.471 . 0 0 "[ . 1 . ]" 1
1448 1 100 VAL MG1 1 101 ALA H . . 4.700 3.606 3.549 3.677 . 0 0 "[ . 1 . ]" 1
1449 1 100 VAL MG2 1 101 ALA H . . 5.500 3.715 3.570 3.854 . 0 0 "[ . 1 . ]" 1
1450 1 100 VAL MG2 1 101 ALA HA . . 5.400 3.977 3.774 4.133 . 0 0 "[ . 1 . ]" 1
1451 1 100 VAL MG2 1 101 ALA MB . . 5.500 4.715 4.575 4.795 . 0 0 "[ . 1 . ]" 1
1452 1 100 VAL MG2 1 102 LEU H . . 5.500 4.931 4.393 5.371 . 0 0 "[ . 1 . ]" 1
1453 1 100 VAL MG2 1 102 LEU HB3 . . 5.500 5.249 2.988 5.538 0.038 15 0 "[ . 1 . ]" 1
1454 1 100 VAL MG2 1 102 LEU HG . . 5.500 4.045 2.794 5.536 0.036 14 0 "[ . 1 . ]" 1
1455 1 100 VAL MG2 1 102 LEU QD . . 5.040 3.068 2.230 4.276 . 0 0 "[ . 1 . ]" 1
1456 1 101 ALA H 1 101 ALA MB . . 3.600 2.510 2.434 2.560 . 0 0 "[ . 1 . ]" 1
1457 1 101 ALA H 1 102 LEU H . . 5.460 4.515 4.458 4.604 . 0 0 "[ . 1 . ]" 1
1458 1 101 ALA HA 1 102 LEU H . . 3.040 2.217 2.026 2.348 . 0 0 "[ . 1 . ]" 1
1459 1 101 ALA HA 1 102 LEU HB3 . . 4.810 4.764 3.775 4.980 0.170 10 0 "[ . 1 . ]" 1
1460 1 101 ALA MB 1 102 LEU H . . 3.790 2.726 2.498 3.073 . 0 0 "[ . 1 . ]" 1
1461 1 102 LEU H 1 102 LEU HB3 . . 3.340 3.085 2.594 3.420 0.080 2 0 "[ . 1 . ]" 1
1462 1 102 LEU H 1 102 LEU MD1 . . 4.160 3.882 2.647 4.211 0.051 6 0 "[ . 1 . ]" 1
1463 1 113 ASP HA 1 114 PHE H . . 3.330 2.586 2.161 3.489 0.159 10 0 "[ . 1 . ]" 1
1464 1 113 ASP HB2 1 114 PHE H . . 4.550 4.079 2.552 4.651 0.101 3 0 "[ . 1 . ]" 1
1465 1 113 ASP HB3 1 114 PHE H . . 4.210 3.897 2.446 4.519 0.309 11 0 "[ . 1 . ]" 1
1466 1 114 PHE H 1 115 SER H . . 5.500 3.684 1.911 4.668 . 0 0 "[ . 1 . ]" 1
1467 1 114 PHE HB2 1 115 SER H . . 5.500 3.971 2.659 4.550 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 82
_Distance_constraint_stats_list.Viol_total 81.297
_Distance_constraint_stats_list.Viol_max 0.175
_Distance_constraint_stats_list.Viol_rms 0.0387
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0281
_Distance_constraint_stats_list.Viol_average_violations_only 0.0522
_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 25 THR 1.177 0.118 13 0 "[ . 1 . ]"
1 27 LEU 1.123 0.120 8 0 "[ . 1 . ]"
1 69 GLU 0.312 0.086 8 0 "[ . 1 . ]"
1 72 MET 1.668 0.175 11 0 "[ . 1 . ]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 1 FES 4.279 0.175 11 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 27 LEU CA 2 1 FES FE1 . . 7.050 6.941 6.565 7.157 0.107 14 0 "[ . 1 . ]" 2
2 1 27 LEU CA 2 1 FES FE2 . . 7.050 7.023 6.656 7.170 0.120 8 0 "[ . 1 . ]" 2
3 1 72 MET CA 2 1 FES FE1 . . 7.750 7.823 7.753 7.925 0.175 11 0 "[ . 1 . ]" 2
4 1 72 MET CA 2 1 FES FE2 . . 7.050 6.942 6.521 7.156 0.106 15 0 "[ . 1 . ]" 2
5 1 69 GLU CA 2 1 FES FE2 . . 7.900 7.793 7.180 7.986 0.086 8 0 "[ . 1 . ]" 2
6 1 25 THR CA 2 1 FES FE1 . . 10.250 10.268 9.965 10.364 0.114 12 0 "[ . 1 . ]" 2
7 1 25 THR CA 2 1 FES FE2 . . 9.550 9.396 8.881 9.668 0.118 13 0 "[ . 1 . ]" 2
8 1 73 LEU CA 2 1 FES FE2 . . 9.950 8.222 7.230 9.215 . 0 0 "[ . 1 . ]" 2
stop_
save_
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