NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
371763 |
1cok   |
4413 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cok
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 828
_Distance_constraint_stats_list.Viol_count 1242
_Distance_constraint_stats_list.Viol_total 1694.458
_Distance_constraint_stats_list.Viol_max 0.995
_Distance_constraint_stats_list.Viol_rms 0.0395
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0758
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 TYR 0.790 0.341 9 0 "[ . 1 . ]"
1 2 HIS 0.065 0.039 1 0 "[ . 1 . ]"
1 3 ALA 0.082 0.039 1 0 "[ . 1 . ]"
1 4 ASP 0.175 0.088 15 0 "[ . 1 . ]"
1 5 PRO 0.160 0.088 15 0 "[ . 1 . ]"
1 6 SER 0.018 0.018 9 0 "[ . 1 . ]"
1 7 LEU 1.412 0.609 6 2 "[ .+ 1 .- ]"
1 8 VAL 4.153 0.467 5 0 "[ . 1 . ]"
1 9 SER 0.306 0.053 17 0 "[ . 1 . ]"
1 10 PHE 0.069 0.016 1 0 "[ . 1 . ]"
1 11 LEU 0.536 0.200 4 0 "[ . 1 . ]"
1 12 THR 0.458 0.200 4 0 "[ . 1 . ]"
1 13 GLY 0.007 0.007 11 0 "[ . 1 . ]"
1 14 LEU 4.406 0.417 11 0 "[ . 1 . ]"
1 15 GLY 0.001 0.001 5 0 "[ . 1 . ]"
1 16 CYS 1.564 0.148 4 0 "[ . 1 . ]"
1 17 PRO 0.113 0.039 17 0 "[ . 1 . ]"
1 18 ASN 0.275 0.056 15 0 "[ . 1 . ]"
1 19 CYS 4.842 0.485 16 0 "[ . 1 . ]"
1 20 ILE 5.758 0.759 4 1 "[ +. 1 . ]"
1 21 GLU 7.072 0.591 3 7 "[ + .* ** * .- *]"
1 22 TYR 9.393 0.398 16 0 "[ . 1 . ]"
1 23 PHE 0.655 0.169 8 0 "[ . 1 . ]"
1 24 THR 0.094 0.033 2 0 "[ . 1 . ]"
1 25 SER 0.577 0.463 2 0 "[ . 1 . ]"
1 26 GLN 3.624 0.463 2 0 "[ . 1 . ]"
1 27 GLY 2.554 0.209 4 0 "[ . 1 . ]"
1 28 LEU 5.435 0.759 4 1 "[ +. 1 . ]"
1 29 GLN 4.360 0.497 9 0 "[ . 1 . ]"
1 30 SER 4.064 0.618 13 1 "[ . 1 + . ]"
1 31 ILE 3.704 0.885 14 2 "[ . 1 -+. ]"
1 32 TYR 0.287 0.274 13 0 "[ . 1 . ]"
1 33 HIS 3.097 0.498 13 0 "[ . 1 . ]"
1 34 LEU 4.960 0.609 6 2 "[ .+ 1 .- ]"
1 35 GLN 5.134 0.885 14 2 "[ . 1 -+. ]"
1 36 ASN 1.151 0.159 16 0 "[ . 1 . ]"
1 37 LEU 2.258 0.225 5 0 "[ . 1 . ]"
1 38 THR 7.401 0.460 13 0 "[ . 1 . ]"
1 39 ILE 2.664 0.100 3 0 "[ . 1 . ]"
1 40 GLU 9.560 0.460 13 0 "[ . 1 . ]"
1 41 ASP 0.503 0.042 7 0 "[ . 1 . ]"
1 42 LEU 2.575 0.123 17 0 "[ . 1 . ]"
1 43 GLY 0.129 0.059 10 0 "[ . 1 . ]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 45 LEU 4.245 0.303 17 0 "[ . 1 . ]"
1 46 LYS 3.951 0.264 5 0 "[ . 1 . ]"
1 47 ILE 5.150 0.264 5 0 "[ . 1 . ]"
1 48 PRO 0.064 0.060 17 0 "[ . 1 . ]"
1 49 GLU 0.043 0.026 12 0 "[ . 1 . ]"
1 50 GLN 3.427 0.425 11 0 "[ . 1 . ]"
1 51 TYR 0.569 0.157 9 0 "[ . 1 . ]"
1 52 ARG 0.894 0.104 13 0 "[ . 1 . ]"
1 53 MET 0.420 0.144 2 0 "[ . 1 . ]"
1 54 THR 0.499 0.058 11 0 "[ . 1 . ]"
1 55 ILE 0.255 0.033 5 0 "[ . 1 . ]"
1 56 TRP 2.907 0.141 12 0 "[ . 1 . ]"
1 57 ARG 1.030 0.225 14 0 "[ . 1 . ]"
1 58 GLY 1.585 0.174 17 0 "[ . 1 . ]"
1 59 LEU 1.965 0.995 5 1 "[ + 1 . ]"
1 60 GLN 1.028 0.157 9 0 "[ . 1 . ]"
1 61 ASP 0.608 0.119 7 0 "[ . 1 . ]"
1 62 LEU 2.748 0.995 5 1 "[ + 1 . ]"
1 63 LYS 2.194 0.809 5 1 "[ + 1 . ]"
1 64 GLN 2.517 0.294 5 0 "[ . 1 . ]"
1 65 GLY 1.141 0.213 12 0 "[ . 1 . ]"
1 66 HIS 1.076 0.263 7 0 "[ . 1 . ]"
1 67 ASP 2.509 0.263 7 0 "[ . 1 . ]"
1 68 TYR 1.459 0.220 5 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 37 LEU HB2 1 59 LEU HG 2.400 . 4.500 4.144 3.715 4.519 0.019 2 0 "[ . 1 . ]" 1
2 1 62 LEU QD 1 62 LEU HG 1.800 . 2.200 1.877 1.853 1.893 . 0 0 "[ . 1 . ]" 1
3 1 63 LYS HB2 1 63 LYS HG2 2.800 . 3.800 2.485 2.346 3.007 . 0 0 "[ . 1 . ]" 1
4 1 63 LYS HB2 1 63 LYS HG3 2.900 . 4.000 2.735 2.350 3.013 . 0 0 "[ . 1 . ]" 1
5 1 63 LYS HB3 1 63 LYS HG3 2.800 . 3.800 2.486 2.351 3.008 . 0 0 "[ . 1 . ]" 1
6 1 63 LYS QD 1 63 LYS HG2 2.300 . 3.000 2.395 2.142 2.530 . 0 0 "[ . 1 . ]" 1
7 1 63 LYS QD 1 63 LYS HG3 2.300 . 3.000 2.221 2.141 2.520 . 0 0 "[ . 1 . ]" 1
8 1 7 LEU MD2 1 34 LEU MD2 1.900 . 2.400 2.204 1.884 3.009 0.609 6 2 "[ .+ 1 .- ]" 1
9 1 7 LEU MD2 1 34 LEU MD1 1.800 . 2.200 1.895 1.756 2.126 . 0 0 "[ . 1 . ]" 1
10 1 46 LYS HB3 1 46 LYS HG3 2.700 . 3.600 2.886 2.760 3.006 . 0 0 "[ . 1 . ]" 1
11 1 46 LYS HD2 1 46 LYS QG 2.500 . 3.300 2.291 2.145 2.514 . 0 0 "[ . 1 . ]" 1
12 1 34 LEU HB3 1 34 LEU MD2 2.900 . 4.000 2.092 2.024 2.178 . 0 0 "[ . 1 . ]" 1
13 1 7 LEU HG 1 34 LEU MD2 2.600 . 3.400 3.231 2.799 3.405 0.005 14 0 "[ . 1 . ]" 1
14 1 28 LEU MD1 1 34 LEU MD1 2.100 . 2.700 1.835 1.706 2.069 . 0 0 "[ . 1 . ]" 1
15 1 28 LEU QD 1 34 LEU MD2 2.000 . 2.500 1.572 1.540 1.659 . 0 0 "[ . 1 . ]" 1
16 1 34 LEU MD1 1 34 LEU MD2 1.600 . 2.200 1.923 1.847 2.044 . 0 0 "[ . 1 . ]" 1
17 1 11 LEU QB 1 28 LEU MD1 2.400 . 4.500 3.640 2.560 4.109 . 0 0 "[ . 1 . ]" 1
18 1 28 LEU MD1 1 31 ILE QG 1.800 . 4.500 4.529 4.497 4.561 0.061 15 0 "[ . 1 . ]" 1
19 1 42 LEU QD 1 53 MET HA 2.900 . 4.500 4.358 4.152 4.460 . 0 0 "[ . 1 . ]" 1
20 1 42 LEU QB 1 42 LEU MD2 2.700 . 3.600 1.984 1.878 2.045 . 0 0 "[ . 1 . ]" 1
21 1 42 LEU QD 1 52 ARG QG 2.800 . 3.800 2.855 2.413 3.490 . 0 0 "[ . 1 . ]" 1
22 1 38 THR HA 1 42 LEU QD 2.500 . 4.500 3.529 3.453 3.711 . 0 0 "[ . 1 . ]" 1
23 1 38 THR HA 1 59 LEU MD2 2.600 . 4.500 3.750 3.328 4.541 0.041 12 0 "[ . 1 . ]" 1
24 1 37 LEU HA 1 59 LEU MD2 2.600 . 4.500 3.956 3.584 4.418 . 0 0 "[ . 1 . ]" 1
25 1 37 LEU HB2 1 59 LEU MD2 2.800 . 3.800 2.343 1.939 3.121 . 0 0 "[ . 1 . ]" 1
26 1 31 ILE QG 1 59 LEU MD1 2.800 . 3.800 3.539 3.018 3.817 0.017 4 0 "[ . 1 . ]" 1
27 1 42 LEU QD 1 59 LEU MD2 2.100 . 2.700 2.355 1.859 2.661 . 0 0 "[ . 1 . ]" 1
28 1 34 LEU HG 1 62 LEU QD 2.800 . 3.800 3.480 2.012 3.760 . 0 0 "[ . 1 . ]" 1
29 1 59 LEU HB2 1 62 LEU QD 2.800 . 4.500 4.132 3.853 4.370 . 0 0 "[ . 1 . ]" 1
30 1 59 LEU HG 1 62 LEU QD 2.800 . 3.800 2.549 1.878 2.896 . 0 0 "[ . 1 . ]" 1
31 1 62 LEU MD1 1 62 LEU MD2 1.600 . 2.200 2.028 1.908 2.086 . 0 0 "[ . 1 . ]" 1
32 1 11 LEU QD 1 20 ILE MD 2.800 . 3.800 2.296 1.698 2.615 0.102 4 0 "[ . 1 . ]" 1
33 1 11 LEU MD1 1 11 LEU MD2 1.800 . 2.200 2.011 1.881 2.078 . 0 0 "[ . 1 . ]" 1
34 1 14 LEU HB2 1 54 THR MG 2.600 . 4.500 4.408 3.850 4.558 0.058 11 0 "[ . 1 . ]" 1
35 1 37 LEU QD 1 38 THR HA 2.300 . 4.500 4.224 3.862 4.526 0.026 14 0 "[ . 1 . ]" 1
36 1 37 LEU HA 1 37 LEU QD 2.500 . 3.300 2.476 1.849 2.870 . 0 0 "[ . 1 . ]" 1
37 1 37 LEU HB2 1 37 LEU QD 2.600 . 3.400 2.075 1.958 2.205 . 0 0 "[ . 1 . ]" 1
38 1 37 LEU HB3 1 37 LEU QD 2.900 . 4.000 2.148 2.011 2.492 . 0 0 "[ . 1 . ]" 1
39 1 14 LEU HG 1 54 THR MG 1.600 . 2.200 2.191 1.938 2.244 0.044 13 0 "[ . 1 . ]" 1
40 1 37 LEU QD 1 42 LEU QB 2.900 . 4.000 4.010 3.936 4.123 0.123 17 0 "[ . 1 . ]" 1
41 1 14 LEU HB2 1 14 LEU HG 2.900 . 4.000 2.931 2.652 3.009 . 0 0 "[ . 1 . ]" 1
42 1 14 LEU HG 1 55 ILE MG 2.900 . 4.500 4.338 3.623 4.533 0.033 5 0 "[ . 1 . ]" 1
43 1 38 THR HA 1 38 THR MG 2.500 . 3.300 2.073 1.969 2.242 . 0 0 "[ . 1 . ]" 1
44 1 38 THR MG 1 40 GLU HG2 2.700 . 3.600 3.538 2.589 4.060 0.460 13 0 "[ . 1 . ]" 1
45 1 38 THR MG 1 42 LEU QD 2.700 . 4.500 4.543 4.460 4.581 0.081 17 0 "[ . 1 . ]" 1
46 1 12 THR HA 1 12 THR MG 2.600 . 3.400 2.380 2.278 2.510 . 0 0 "[ . 1 . ]" 1
47 1 12 THR MG 1 17 PRO QG 2.800 . 3.800 3.474 2.133 3.814 0.014 14 0 "[ . 1 . ]" 1
48 1 14 LEU HA 1 14 LEU HB3 2.900 . 4.000 2.940 2.904 3.020 . 0 0 "[ . 1 . ]" 1
49 1 57 ARG HD3 1 57 ARG HG2 2.700 . 3.600 2.418 2.220 3.006 . 0 0 "[ . 1 . ]" 1
50 1 57 ARG HD3 1 57 ARG HG3 2.600 . 3.400 2.767 2.496 3.012 . 0 0 "[ . 1 . ]" 1
51 1 30 SER HA 1 30 SER HB3 1.900 . 2.400 2.329 2.243 3.018 0.618 13 1 "[ . 1 + . ]" 1
52 1 45 LEU HB3 1 47 ILE MG 2.600 . 4.500 4.530 4.485 4.562 0.062 14 0 "[ . 1 . ]" 1
53 1 54 THR HA 1 54 THR HB 2.700 . 3.600 3.023 3.021 3.026 . 0 0 "[ . 1 . ]" 1
54 1 34 LEU HB3 1 37 LEU HB2 2.500 . 3.300 3.172 2.866 3.421 0.121 5 0 "[ . 1 . ]" 1
55 1 45 LEU HB3 1 47 ILE QG 2.700 . 3.600 1.956 1.883 2.121 . 0 0 "[ . 1 . ]" 1
56 1 37 LEU HB3 1 38 THR HA 2.600 . 4.500 4.242 4.067 4.568 0.068 7 0 "[ . 1 . ]" 1
57 1 37 LEU HA 1 37 LEU HB2 2.600 . 3.400 2.785 2.526 2.873 . 0 0 "[ . 1 . ]" 1
58 1 46 LYS HA 1 46 LYS QE 2.700 . 4.500 4.031 3.494 4.531 0.031 1 0 "[ . 1 . ]" 1
59 1 46 LYS HD2 1 46 LYS QE 1.900 . 2.400 2.332 2.144 2.505 0.105 9 0 "[ . 1 . ]" 1
60 1 34 LEU HB2 1 37 LEU HB2 2.600 . 3.400 3.159 2.773 3.447 0.047 10 0 "[ . 1 . ]" 1
61 1 19 CYS HA 1 20 ILE MG 2.600 . 4.500 4.533 4.509 4.555 0.055 5 0 "[ . 1 . ]" 1
62 1 20 ILE MG 1 24 THR MG 2.800 . 3.800 3.249 2.932 3.774 . 0 0 "[ . 1 . ]" 1
63 1 20 ILE HA 1 20 ILE MG 2.100 . 4.500 3.185 3.181 3.192 . 0 0 "[ . 1 . ]" 1
64 1 62 LEU HA 1 62 LEU HB3 2.700 . 3.600 2.463 2.277 2.605 . 0 0 "[ . 1 . ]" 1
65 1 62 LEU HA 1 62 LEU HB2 2.800 . 3.800 2.972 2.301 3.022 . 0 0 "[ . 1 . ]" 1
66 1 63 LYS HA 1 63 LYS QE 2.700 . 3.600 2.671 1.997 3.632 0.032 17 0 "[ . 1 . ]" 1
67 1 63 LYS QD 1 63 LYS QE 1.800 . 2.200 2.038 1.976 2.090 . 0 0 "[ . 1 . ]" 1
68 1 44 ALA HA 1 44 ALA MB 2.200 . 2.800 2.108 2.083 2.131 . 0 0 "[ . 1 . ]" 1
69 1 12 THR MG 1 20 ILE MG 2.900 . 4.000 3.998 3.897 4.041 0.041 14 0 "[ . 1 . ]" 1
70 1 37 LEU QD 1 44 ALA MB 2.800 . 4.500 4.261 4.141 4.454 . 0 0 "[ . 1 . ]" 1
71 1 59 LEU HG 1 62 LEU HB2 2.800 . 4.500 4.558 4.360 5.495 0.995 5 1 "[ + 1 . ]" 1
72 1 31 ILE MG 1 34 LEU HG 2.900 . 4.000 4.079 4.047 4.110 0.110 17 0 "[ . 1 . ]" 1
73 1 38 THR HA 1 39 ILE MG 2.400 . 4.500 4.278 4.182 4.404 . 0 0 "[ . 1 . ]" 1
74 1 30 SER HA 1 31 ILE MG 2.300 . 4.500 4.070 3.978 4.189 . 0 0 "[ . 1 . ]" 1
75 1 38 THR HB 1 39 ILE MG 2.600 . 3.400 3.178 3.011 3.370 . 0 0 "[ . 1 . ]" 1
76 1 7 LEU HG 1 31 ILE MG 2.900 . 4.500 4.291 3.668 4.515 0.015 17 0 "[ . 1 . ]" 1
77 1 31 ILE MG 1 62 LEU QD 2.700 . 3.600 3.244 3.082 3.382 . 0 0 "[ . 1 . ]" 1
78 1 37 LEU HA 1 41 ASP HB2 2.700 . 3.600 3.365 3.102 3.600 0.000 14 0 "[ . 1 . ]" 1
79 1 39 ILE MG 1 53 MET HA 2.200 . 4.500 4.490 4.287 4.536 0.036 3 0 "[ . 1 . ]" 1
80 1 39 ILE HB 1 39 ILE MG 2.300 . 3.000 2.116 2.095 2.125 . 0 0 "[ . 1 . ]" 1
81 1 39 ILE HG13 1 39 ILE MG 2.400 . 3.100 2.416 2.210 2.575 . 0 0 "[ . 1 . ]" 1
82 1 67 ASP HA 1 67 ASP QB 2.100 . 2.500 2.230 2.142 2.494 . 0 0 "[ . 1 . ]" 1
83 1 67 ASP QB 1 68 TYR QB 2.900 . 4.000 3.543 3.251 4.022 0.022 11 0 "[ . 1 . ]" 1
84 1 42 LEU QB 1 42 LEU HG 2.100 . 2.700 2.154 2.139 2.174 . 0 0 "[ . 1 . ]" 1
85 1 38 THR HA 1 39 ILE HA 2.900 . 4.500 4.336 4.317 4.349 . 0 0 "[ . 1 . ]" 1
86 1 38 THR HB 1 39 ILE HA 2.800 . 4.500 4.545 4.515 4.567 0.067 6 0 "[ . 1 . ]" 1
87 1 61 ASP HA 1 61 ASP QB 2.400 . 3.100 2.520 2.479 2.543 . 0 0 "[ . 1 . ]" 1
88 1 20 ILE QG 1 28 LEU HB2 2.200 . 4.500 4.687 4.256 5.259 0.759 4 1 "[ +. 1 . ]" 1
89 1 20 ILE HB 1 20 ILE MD 2.900 . 4.000 2.257 2.129 2.455 . 0 0 "[ . 1 . ]" 1
90 1 11 LEU QB 1 20 ILE MD 2.900 . 3.800 2.347 2.039 3.293 . 0 0 "[ . 1 . ]" 1
91 1 35 GLN HB3 1 36 ASN QB 2.900 . 4.000 3.890 3.714 3.967 . 0 0 "[ . 1 . ]" 1
92 1 36 ASN QB 1 37 LEU HA 2.300 . 4.500 4.197 3.967 4.357 . 0 0 "[ . 1 . ]" 1
93 1 68 TYR HA 1 68 TYR QB 2.200 . 2.700 2.399 2.175 2.516 . 0 0 "[ . 1 . ]" 1
94 1 23 PHE HB3 1 24 THR HA 2.200 . 4.500 4.028 3.819 4.221 . 0 0 "[ . 1 . ]" 1
95 1 67 ASP HA 1 68 TYR QB 2.600 . 4.500 4.223 4.115 4.444 . 0 0 "[ . 1 . ]" 1
96 1 23 PHE HB3 1 28 LEU HG 2.200 . 2.800 2.211 1.938 2.457 . 0 0 "[ . 1 . ]" 1
97 1 7 LEU HB2 1 31 ILE HA 2.200 . 4.500 3.968 3.801 4.201 . 0 0 "[ . 1 . ]" 1
98 1 9 SER HA 1 9 SER QB 1.800 . 2.200 2.210 2.167 2.253 0.053 17 0 "[ . 1 . ]" 1
99 1 22 TYR HA 1 22 TYR HB2 2.900 . 4.000 3.022 2.990 3.029 . 0 0 "[ . 1 . ]" 1
100 1 39 ILE MD 1 39 ILE HG13 2.200 . 2.800 2.087 2.072 2.118 . 0 0 "[ . 1 . ]" 1
101 1 39 ILE MD 1 39 ILE HG12 2.200 . 2.800 2.086 2.072 2.118 . 0 0 "[ . 1 . ]" 1
102 1 31 ILE MD 1 59 LEU MD1 2.800 . 3.800 2.925 2.226 3.276 . 0 0 "[ . 1 . ]" 1
103 1 22 TYR HA 1 22 TYR HB3 2.900 . 4.000 2.423 2.314 2.498 . 0 0 "[ . 1 . ]" 1
104 1 49 GLU HA 1 49 GLU QG 2.800 . 3.800 2.612 2.179 3.426 . 0 0 "[ . 1 . ]" 1
105 1 31 ILE MD 1 31 ILE QG 2.100 . 2.700 1.863 1.844 1.888 . 0 0 "[ . 1 . ]" 1
106 1 38 THR HB 1 40 GLU HG3 2.700 . 3.600 2.835 1.936 3.603 0.003 12 0 "[ . 1 . ]" 1
107 1 32 TYR HA 1 32 TYR HB2 2.800 . 3.800 2.864 2.477 3.027 . 0 0 "[ . 1 . ]" 1
108 1 32 TYR HA 1 32 TYR HB3 2.900 . 4.000 2.742 2.410 3.028 . 0 0 "[ . 1 . ]" 1
109 1 47 ILE MD 1 47 ILE MG 2.900 . 4.000 1.867 1.780 2.077 0.020 18 0 "[ . 1 . ]" 1
110 1 19 CYS HA 1 47 ILE MD 2.400 . 4.500 4.473 4.287 4.529 0.029 5 0 "[ . 1 . ]" 1
111 1 47 ILE MD 1 47 ILE QG 2.200 . 2.800 1.873 1.846 1.887 . 0 0 "[ . 1 . ]" 1
112 1 22 TYR HA 1 47 ILE MD 2.400 . 4.500 3.971 3.526 4.308 . 0 0 "[ . 1 . ]" 1
113 1 21 GLU HB2 1 21 GLU HG2 2.800 . 3.800 2.835 2.567 2.994 . 0 0 "[ . 1 . ]" 1
114 1 21 GLU HB3 1 21 GLU HG3 2.600 . 3.400 2.832 2.594 2.994 . 0 0 "[ . 1 . ]" 1
115 1 40 GLU HA 1 40 GLU HG2 2.900 . 4.000 2.981 2.522 3.941 . 0 0 "[ . 1 . ]" 1
116 1 40 GLU HA 1 40 GLU HG3 2.900 . 4.000 3.724 3.576 3.815 . 0 0 "[ . 1 . ]" 1
117 1 40 GLU HA 1 40 GLU HB2 2.900 . 4.000 2.895 2.543 3.025 . 0 0 "[ . 1 . ]" 1
118 1 49 GLU HB3 1 49 GLU QG 2.500 . 3.300 2.359 2.178 2.510 . 0 0 "[ . 1 . ]" 1
119 1 38 THR HA 1 56 TRP HA 2.900 . 4.000 3.745 3.523 4.116 0.116 12 0 "[ . 1 . ]" 1
120 1 49 GLU HB2 1 49 GLU QG 2.500 . 3.300 2.308 2.130 2.495 . 0 0 "[ . 1 . ]" 1
121 1 38 THR HB 1 40 GLU HA 2.800 . 4.500 4.597 4.567 4.643 0.143 15 0 "[ . 1 . ]" 1
122 1 64 GLN HB2 1 64 GLN QG 2.200 . 2.800 2.254 2.128 2.447 . 0 0 "[ . 1 . ]" 1
123 1 35 GLN HB3 1 35 GLN QG 2.600 . 3.400 2.227 2.123 2.490 . 0 0 "[ . 1 . ]" 1
124 1 64 GLN HB3 1 64 GLN QG 2.300 . 3.000 2.405 2.223 2.523 . 0 0 "[ . 1 . ]" 1
125 1 29 GLN QB 1 29 GLN HG2 2.500 . 3.300 2.304 2.127 2.489 . 0 0 "[ . 1 . ]" 1
126 1 41 ASP HA 1 41 ASP HB2 2.900 . 4.000 2.967 2.881 3.020 . 0 0 "[ . 1 . ]" 1
127 1 60 GLN HA 1 60 GLN HB3 2.800 . 3.800 2.495 2.386 2.586 . 0 0 "[ . 1 . ]" 1
128 1 63 LYS HA 1 63 LYS HB3 2.500 . 3.300 2.968 2.836 3.026 . 0 0 "[ . 1 . ]" 1
129 1 60 GLN HA 1 63 LYS HB2 2.800 . 3.800 3.503 2.400 3.820 0.020 7 0 "[ . 1 . ]" 1
130 1 60 GLN HA 1 63 LYS HB3 2.800 . 3.800 3.615 2.967 3.837 0.037 9 0 "[ . 1 . ]" 1
131 1 63 LYS HA 1 63 LYS HB2 2.400 . 3.100 2.629 2.413 2.868 . 0 0 "[ . 1 . ]" 1
132 1 66 HIS HA 1 66 HIS HB3 2.500 . 3.300 2.764 2.325 3.027 . 0 0 "[ . 1 . ]" 1
133 1 20 ILE MD 1 29 GLN QB 2.500 . 4.500 4.518 4.435 4.552 0.052 15 0 "[ . 1 . ]" 1
134 1 67 ASP HA 1 68 TYR HA 1.900 . 4.500 4.346 4.294 4.400 . 0 0 "[ . 1 . ]" 1
135 1 55 ILE HB 1 55 ILE QG 2.400 . 3.100 2.455 2.180 2.526 . 0 0 "[ . 1 . ]" 1
136 1 38 THR HA 1 56 TRP HB2 2.900 . 4.000 3.795 3.533 4.021 0.021 5 0 "[ . 1 . ]" 1
137 1 3 ALA HA 1 5 PRO QD 2.600 . 4.500 3.645 2.658 4.511 0.011 9 0 "[ . 1 . ]" 1
138 1 28 LEU HG 1 45 LEU QD 2.700 . 4.500 3.722 3.206 4.455 . 0 0 "[ . 1 . ]" 1
139 1 28 LEU HG 1 37 LEU QD 2.900 . 4.000 3.826 3.328 4.037 0.037 15 0 "[ . 1 . ]" 1
140 1 47 ILE QG 1 48 PRO HD2 2.400 . 4.500 4.097 3.728 4.504 0.004 8 0 "[ . 1 . ]" 1
141 1 17 PRO HD3 1 17 PRO QG 2.400 . 3.100 2.211 2.172 2.235 . 0 0 "[ . 1 . ]" 1
142 1 44 ALA MB 1 45 LEU QD 2.500 . 3.300 2.545 2.291 3.218 . 0 0 "[ . 1 . ]" 1
143 1 39 ILE H 1 56 TRP HE1 3.100 . 4.300 3.506 3.245 3.693 . 0 0 "[ . 1 . ]" 1
144 1 56 TRP HE1 1 60 GLN HE22 3.100 . 4.300 3.673 3.066 4.304 0.004 9 0 "[ . 1 . ]" 1
145 1 56 TRP HE1 1 60 GLN HE21 3.100 . 4.300 3.177 2.481 3.850 . 0 0 "[ . 1 . ]" 1
146 1 38 THR HA 1 56 TRP HE1 2.700 . 3.600 3.618 3.528 3.741 0.141 12 0 "[ . 1 . ]" 1
147 1 56 TRP HE1 1 60 GLN HB3 3.500 . 5.000 4.138 2.618 5.018 0.018 1 0 "[ . 1 . ]" 1
148 1 38 THR MG 1 56 TRP HE1 2.900 . 4.000 1.916 1.811 2.097 . 0 0 "[ . 1 . ]" 1
149 1 39 ILE MG 1 56 TRP HE1 3.000 . 4.100 3.983 3.619 4.127 0.027 17 0 "[ . 1 . ]" 1
150 1 42 LEU H 1 44 ALA H 3.200 . 4.500 3.819 3.630 3.901 . 0 0 "[ . 1 . ]" 1
151 1 41 ASP HA 1 44 ALA H 2.800 . 3.800 3.257 3.043 3.423 . 0 0 "[ . 1 . ]" 1
152 1 44 ALA H 1 44 ALA HA 2.400 . 3.100 2.840 2.780 2.904 . 0 0 "[ . 1 . ]" 1
153 1 43 GLY HA3 1 44 ALA H 2.700 . 3.600 3.142 3.027 3.328 . 0 0 "[ . 1 . ]" 1
154 1 43 GLY HA2 1 44 ALA H 2.900 . 4.000 3.396 3.264 3.454 . 0 0 "[ . 1 . ]" 1
155 1 42 LEU QB 1 44 ALA H 3.400 . 4.800 4.224 4.117 4.315 . 0 0 "[ . 1 . ]" 1
156 1 44 ALA H 1 45 LEU QD 3.300 . 4.700 3.312 2.939 4.480 . 0 0 "[ . 1 . ]" 1
157 1 44 ALA H 1 45 LEU HB2 3.400 . 4.800 4.435 4.031 4.727 . 0 0 "[ . 1 . ]" 1
158 1 44 ALA H 1 44 ALA MB 2.100 . 2.700 2.167 2.075 2.300 . 0 0 "[ . 1 . ]" 1
159 1 49 GLU H 1 49 GLU HA 2.800 . 3.800 2.880 2.821 2.914 . 0 0 "[ . 1 . ]" 1
160 1 48 PRO HB2 1 49 GLU H 3.100 . 4.300 3.649 2.537 4.233 . 0 0 "[ . 1 . ]" 1
161 1 49 GLU H 1 49 GLU QG 2.600 . 4.500 3.525 2.152 4.004 . 0 0 "[ . 1 . ]" 1
162 1 49 GLU H 1 49 GLU QB 2.500 . 3.300 2.340 2.179 2.619 . 0 0 "[ . 1 . ]" 1
163 1 48 PRO HB3 1 49 GLU H 3.100 . 4.300 3.361 2.974 3.851 . 0 0 "[ . 1 . ]" 1
164 1 2 HIS HA 1 3 ALA H 2.200 . 2.800 2.401 2.144 2.698 . 0 0 "[ . 1 . ]" 1
165 1 2 HIS HB2 1 3 ALA H 3.200 . 4.500 4.000 2.678 4.539 0.039 1 0 "[ . 1 . ]" 1
166 1 2 HIS HB3 1 3 ALA H 3.200 . 4.500 3.485 2.161 4.441 . 0 0 "[ . 1 . ]" 1
167 1 3 ALA H 1 3 ALA MB 2.500 . 3.300 2.482 2.050 2.921 . 0 0 "[ . 1 . ]" 1
168 1 67 ASP H 1 68 TYR H 2.900 . 4.000 3.916 1.939 4.198 0.198 4 0 "[ . 1 . ]" 1
169 1 67 ASP HA 1 68 TYR H 2.100 . 2.700 2.276 2.114 2.920 0.220 5 0 "[ . 1 . ]" 1
170 1 68 TYR H 1 68 TYR HA 2.300 . 3.000 2.494 2.274 2.934 . 0 0 "[ . 1 . ]" 1
171 1 68 TYR H 1 68 TYR QB 2.500 . 3.300 2.779 2.188 3.198 . 0 0 "[ . 1 . ]" 1
172 1 67 ASP QB 1 68 TYR H 2.800 . 3.800 3.024 1.917 3.613 . 0 0 "[ . 1 . ]" 1
173 1 4 ASP H 1 4 ASP HA 2.900 . 4.000 2.787 2.272 2.945 . 0 0 "[ . 1 . ]" 1
174 1 4 ASP H 1 5 PRO QD 3.600 . 5.200 2.536 1.912 4.517 0.088 15 0 "[ . 1 . ]" 1
175 1 4 ASP H 1 4 ASP QB 2.500 . 3.300 2.801 2.107 3.282 . 0 0 "[ . 1 . ]" 1
176 1 3 ALA MB 1 4 ASP H 2.500 . 3.300 2.678 2.040 3.307 0.007 15 0 "[ . 1 . ]" 1
177 1 28 LEU H 1 29 GLN H 3.400 . 4.800 3.020 2.861 3.108 . 0 0 "[ . 1 . ]" 1
178 1 23 PHE HB3 1 28 LEU H 3.400 . 4.800 4.083 3.870 4.397 . 0 0 "[ . 1 . ]" 1
179 1 56 TRP HA 1 59 LEU H 3.100 . 4.300 3.302 3.044 3.463 . 0 0 "[ . 1 . ]" 1
180 1 58 GLY HA2 1 59 LEU H 3.000 . 4.100 3.496 3.452 3.541 . 0 0 "[ . 1 . ]" 1
181 1 59 LEU H 1 59 LEU HA 2.700 . 3.600 2.854 2.814 2.887 . 0 0 "[ . 1 . ]" 1
182 1 58 GLY HA3 1 59 LEU H 2.800 . 3.800 2.911 2.793 3.046 . 0 0 "[ . 1 . ]" 1
183 1 59 LEU H 1 60 GLN QG 3.300 . 4.700 3.976 3.453 4.480 . 0 0 "[ . 1 . ]" 1
184 1 59 LEU H 1 59 LEU HB2 2.700 . 3.600 2.087 2.049 2.136 . 0 0 "[ . 1 . ]" 1
185 1 59 LEU H 1 59 LEU HG 2.700 . 4.500 4.448 4.235 4.530 0.030 6 0 "[ . 1 . ]" 1
186 1 59 LEU H 1 59 LEU MD1 2.700 . 3.600 2.850 2.439 3.305 . 0 0 "[ . 1 . ]" 1
187 1 14 LEU MD2 1 59 LEU H 3.400 . 4.800 3.428 2.965 5.217 0.417 11 0 "[ . 1 . ]" 1
188 1 39 ILE HA 1 40 GLU H 3.100 . 4.300 3.476 3.468 3.489 . 0 0 "[ . 1 . ]" 1
189 1 40 GLU H 1 41 ASP HB2 3.500 . 5.000 4.768 4.617 4.886 . 0 0 "[ . 1 . ]" 1
190 1 40 GLU H 1 40 GLU HG2 2.900 . 4.000 2.217 2.012 2.514 . 0 0 "[ . 1 . ]" 1
191 1 40 GLU H 1 40 GLU HG3 2.700 . 3.600 2.818 2.269 3.313 . 0 0 "[ . 1 . ]" 1
192 1 40 GLU H 1 40 GLU HB2 2.500 . 4.500 2.857 2.514 3.584 . 0 0 "[ . 1 . ]" 1
193 1 40 GLU H 1 40 GLU HB3 2.500 . 3.300 3.361 2.728 3.589 0.289 13 0 "[ . 1 . ]" 1
194 1 38 THR MG 1 40 GLU H 3.000 . 4.100 3.148 2.956 3.293 . 0 0 "[ . 1 . ]" 1
195 1 39 ILE HB 1 40 GLU H 2.800 . 3.800 3.880 3.865 3.900 0.100 3 0 "[ . 1 . ]" 1
196 1 39 ILE HG13 1 40 GLU H 3.400 . 4.800 4.028 3.894 4.235 . 0 0 "[ . 1 . ]" 1
197 1 39 ILE MG 1 40 GLU H 2.500 . 3.300 2.058 1.942 2.149 . 0 0 "[ . 1 . ]" 1
198 1 39 ILE MD 1 40 GLU H 3.400 . 4.800 4.605 4.362 4.816 0.016 12 0 "[ . 1 . ]" 1
199 1 10 PHE H 1 10 PHE HA 2.800 . 3.800 2.905 2.871 2.927 . 0 0 "[ . 1 . ]" 1
200 1 10 PHE H 1 11 LEU QB 3.200 . 4.500 4.083 3.888 4.418 . 0 0 "[ . 1 . ]" 1
201 1 8 VAL QG 1 10 PHE H 3.300 . 4.700 4.177 3.920 4.506 . 0 0 "[ . 1 . ]" 1
202 1 10 PHE H 1 10 PHE QD 3.200 . 4.500 3.456 2.349 4.162 . 0 0 "[ . 1 . ]" 1
203 1 7 LEU HA 1 10 PHE H 3.400 . 4.800 3.665 3.498 3.902 . 0 0 "[ . 1 . ]" 1
204 1 10 PHE H 1 10 PHE HB2 3.000 . 4.100 2.223 2.120 2.434 . 0 0 "[ . 1 . ]" 1
205 1 10 PHE H 1 10 PHE HB3 3.000 . 4.100 3.288 2.794 3.559 . 0 0 "[ . 1 . ]" 1
206 1 10 PHE H 1 31 ILE MD 3.400 . 4.800 4.713 4.480 4.816 0.016 1 0 "[ . 1 . ]" 1
207 1 26 GLN H 1 28 LEU H 2.900 . 4.000 3.688 3.559 3.882 . 0 0 "[ . 1 . ]" 1
208 1 28 LEU H 1 28 LEU HA 2.700 . 3.600 2.925 2.915 2.935 . 0 0 "[ . 1 . ]" 1
209 1 27 GLY HA2 1 28 LEU H 2.900 . 4.000 2.747 2.631 2.843 . 0 0 "[ . 1 . ]" 1
210 1 24 THR HA 1 28 LEU H 2.900 . 4.000 1.942 1.910 2.040 . 0 0 "[ . 1 . ]" 1
211 1 27 GLY HA3 1 28 LEU H 3.000 . 4.100 3.549 3.532 3.566 . 0 0 "[ . 1 . ]" 1
212 1 26 GLN HG2 1 28 LEU H 3.500 . 5.000 4.929 4.331 5.022 0.022 1 0 "[ . 1 . ]" 1
213 1 28 LEU H 1 28 LEU HB2 2.800 . 3.800 2.242 2.211 2.329 . 0 0 "[ . 1 . ]" 1
214 1 28 LEU H 1 28 LEU HB3 2.800 . 3.800 3.226 3.030 3.339 . 0 0 "[ . 1 . ]" 1
215 1 28 LEU H 1 28 LEU HG 2.800 . 4.500 4.477 4.353 4.589 0.089 13 0 "[ . 1 . ]" 1
216 1 28 LEU H 1 28 LEU MD2 2.800 . 3.800 3.258 3.047 3.597 . 0 0 "[ . 1 . ]" 1
217 1 28 LEU H 1 34 LEU MD2 3.500 . 5.000 4.776 4.572 4.910 . 0 0 "[ . 1 . ]" 1
218 1 40 GLU H 1 40 GLU HA 2.500 . 3.300 2.779 2.763 2.800 . 0 0 "[ . 1 . ]" 1
219 1 38 THR H 1 41 ASP H 2.900 . 4.000 3.087 2.905 3.428 . 0 0 "[ . 1 . ]" 1
220 1 41 ASP H 1 42 LEU H 2.700 . 3.600 2.322 2.247 2.406 . 0 0 "[ . 1 . ]" 1
221 1 41 ASP H 1 43 GLY H 3.300 . 4.700 4.380 3.905 4.634 . 0 0 "[ . 1 . ]" 1
222 1 41 ASP H 1 41 ASP HA 2.600 . 3.400 2.895 2.877 2.906 . 0 0 "[ . 1 . ]" 1
223 1 39 ILE HA 1 41 ASP H 3.400 . 4.800 4.265 4.133 4.490 . 0 0 "[ . 1 . ]" 1
224 1 41 ASP H 1 41 ASP HB2 2.700 . 3.600 2.216 2.113 2.358 . 0 0 "[ . 1 . ]" 1
225 1 41 ASP H 1 41 ASP HB3 2.700 . 3.600 3.470 3.279 3.599 . 0 0 "[ . 1 . ]" 1
226 1 40 GLU HG2 1 41 ASP H 3.300 . 4.700 4.098 3.307 4.419 . 0 0 "[ . 1 . ]" 1
227 1 40 GLU HB2 1 41 ASP H 2.700 . 3.600 2.773 2.347 3.603 0.003 9 0 "[ . 1 . ]" 1
228 1 38 THR MG 1 41 ASP H 3.100 . 4.500 4.496 4.306 4.542 0.042 7 0 "[ . 1 . ]" 1
229 1 41 ASP H 1 42 LEU HG 3.500 . 5.000 4.681 4.328 5.031 0.031 8 0 "[ . 1 . ]" 1
230 1 37 LEU QD 1 41 ASP H 3.000 . 4.100 3.634 3.207 3.860 . 0 0 "[ . 1 . ]" 1
231 1 39 ILE MG 1 41 ASP H 3.300 . 4.700 4.339 4.240 4.426 . 0 0 "[ . 1 . ]" 1
232 1 66 HIS H 1 67 ASP H 3.400 . 4.800 4.229 2.714 4.542 . 0 0 "[ . 1 . ]" 1
233 1 66 HIS HB2 1 67 ASP H 3.100 . 4.300 4.019 2.076 4.563 0.263 7 0 "[ . 1 . ]" 1
234 1 66 HIS HB3 1 67 ASP H 3.200 . 4.500 3.638 2.197 4.353 . 0 0 "[ . 1 . ]" 1
235 1 67 ASP H 1 67 ASP QB 3.000 . 3.800 3.272 2.597 3.480 . 0 0 "[ . 1 . ]" 1
236 1 55 ILE HA 1 56 TRP H 3.000 . 4.100 3.558 3.516 3.596 . 0 0 "[ . 1 . ]" 1
237 1 42 LEU HG 1 56 TRP H 2.800 . 3.800 3.823 3.693 3.855 0.055 11 0 "[ . 1 . ]" 1
238 1 56 TRP H 1 56 TRP HE3 3.200 . 4.500 4.555 4.527 4.575 0.075 8 0 "[ . 1 . ]" 1
239 1 55 ILE H 1 56 TRP H 2.700 . 3.600 2.785 2.583 2.932 . 0 0 "[ . 1 . ]" 1
240 1 53 MET HA 1 55 ILE H 2.400 . 4.500 4.437 4.255 4.527 0.027 9 0 "[ . 1 . ]" 1
241 1 54 THR HA 1 55 ILE H 2.900 . 4.000 3.549 3.526 3.562 . 0 0 "[ . 1 . ]" 1
242 1 55 ILE H 1 55 ILE HA 2.700 . 3.600 2.799 2.777 2.831 . 0 0 "[ . 1 . ]" 1
243 1 55 ILE H 1 55 ILE QG 2.600 . 3.400 2.042 1.934 2.145 . 0 0 "[ . 1 . ]" 1
244 1 55 ILE H 1 55 ILE HB 2.500 . 3.300 2.603 2.529 2.753 . 0 0 "[ . 1 . ]" 1
245 1 54 THR MG 1 55 ILE H 2.800 . 3.800 3.263 3.179 3.429 . 0 0 "[ . 1 . ]" 1
246 1 14 LEU QD 1 55 ILE H 3.100 . 4.300 3.955 2.921 4.072 . 0 0 "[ . 1 . ]" 1
247 1 20 ILE H 1 21 GLU H 2.800 . 3.800 2.821 2.747 2.902 . 0 0 "[ . 1 . ]" 1
248 1 20 ILE H 1 20 ILE HA 2.700 . 3.600 2.748 2.725 2.767 . 0 0 "[ . 1 . ]" 1
249 1 20 ILE H 1 20 ILE QG 2.500 . 4.500 3.991 3.969 4.072 . 0 0 "[ . 1 . ]" 1
250 1 20 ILE H 1 23 PHE H 3.300 . 4.700 3.904 3.540 4.389 . 0 0 "[ . 1 . ]" 1
251 1 19 CYS HA 1 20 ILE H 2.900 . 4.000 3.463 3.436 3.509 . 0 0 "[ . 1 . ]" 1
252 1 17 PRO HA 1 20 ILE H 3.300 . 4.700 4.566 4.322 4.716 0.016 13 0 "[ . 1 . ]" 1
253 1 19 CYS HB3 1 20 ILE H 3.200 . 4.500 3.622 2.912 4.202 . 0 0 "[ . 1 . ]" 1
254 1 20 ILE H 1 20 ILE HB 2.300 . 3.000 2.507 2.460 2.549 . 0 0 "[ . 1 . ]" 1
255 1 20 ILE H 1 20 ILE MD 2.400 . 4.500 4.301 3.935 4.405 . 0 0 "[ . 1 . ]" 1
256 1 11 LEU QD 1 20 ILE H 3.300 . 4.700 3.091 2.874 3.500 . 0 0 "[ . 1 . ]" 1
257 1 56 TRP H 1 57 ARG H 2.800 . 3.800 2.860 2.693 3.052 . 0 0 "[ . 1 . ]" 1
258 1 42 LEU QD 1 56 TRP H 2.700 . 3.600 2.419 1.931 3.097 . 0 0 "[ . 1 . ]" 1
259 1 56 TRP H 1 56 TRP HA 2.800 . 3.800 2.781 2.750 2.820 . 0 0 "[ . 1 . ]" 1
260 1 56 TRP H 1 56 TRP HB3 2.600 . 3.400 2.329 2.282 2.527 . 0 0 "[ . 1 . ]" 1
261 1 56 TRP H 1 56 TRP HB2 2.600 . 3.400 2.708 2.574 2.761 . 0 0 "[ . 1 . ]" 1
262 1 39 ILE MD 1 56 TRP H 3.200 . 4.500 3.351 2.881 3.875 . 0 0 "[ . 1 . ]" 1
263 1 39 ILE H 1 56 TRP HE3 3.300 . 4.700 4.098 3.881 4.374 . 0 0 "[ . 1 . ]" 1
264 1 39 ILE H 1 39 ILE HA 2.800 . 3.800 2.810 2.790 2.828 . 0 0 "[ . 1 . ]" 1
265 1 38 THR MG 1 39 ILE H 2.700 . 3.600 2.198 1.912 2.470 . 0 0 "[ . 1 . ]" 1
266 1 39 ILE H 1 39 ILE HB 2.600 . 3.400 2.504 2.444 2.548 . 0 0 "[ . 1 . ]" 1
267 1 39 ILE H 1 39 ILE HG13 2.800 . 4.500 4.474 4.435 4.514 0.014 8 0 "[ . 1 . ]" 1
268 1 39 ILE H 1 39 ILE MG 2.500 . 3.300 2.090 2.001 2.234 . 0 0 "[ . 1 . ]" 1
269 1 39 ILE H 1 39 ILE MD 3.000 . 4.100 3.999 3.905 4.074 . 0 0 "[ . 1 . ]" 1
270 1 1 TYR H1 1 1 TYR QD 2.900 . 4.000 3.515 2.113 4.341 0.341 9 0 "[ . 1 . ]" 1
271 1 1 TYR H1 1 1 TYR HA 2.900 . 4.000 2.523 2.222 2.940 . 0 0 "[ . 1 . ]" 1
272 1 36 ASN H 1 37 LEU H 2.700 . 3.600 2.144 1.937 2.486 . 0 0 "[ . 1 . ]" 1
273 1 36 ASN HA 1 37 LEU H 2.700 . 3.600 3.257 2.993 3.447 . 0 0 "[ . 1 . ]" 1
274 1 37 LEU H 1 37 LEU HA 2.700 . 3.600 2.800 2.704 2.899 . 0 0 "[ . 1 . ]" 1
275 1 34 LEU HA 1 37 LEU H 3.000 . 4.100 2.900 2.630 3.122 . 0 0 "[ . 1 . ]" 1
276 1 35 GLN HA 1 37 LEU H 3.200 . 4.500 4.358 4.008 4.583 0.083 4 0 "[ . 1 . ]" 1
277 1 36 ASN QB 1 37 LEU H 3.200 . 4.100 3.551 3.036 3.723 . 0 0 "[ . 1 . ]" 1
278 1 37 LEU H 1 37 LEU HB2 2.200 . 2.800 2.160 2.052 2.473 . 0 0 "[ . 1 . ]" 1
279 1 37 LEU H 1 37 LEU HB3 2.700 . 3.600 3.167 2.700 3.392 . 0 0 "[ . 1 . ]" 1
280 1 34 LEU HB3 1 37 LEU H 3.400 . 4.800 4.726 4.462 5.025 0.225 5 0 "[ . 1 . ]" 1
281 1 37 LEU H 1 59 LEU MD2 3.400 . 4.800 3.252 2.594 4.044 . 0 0 "[ . 1 . ]" 1
282 1 39 ILE H 1 41 ASP H 3.500 . 5.000 4.258 4.094 4.379 . 0 0 "[ . 1 . ]" 1
283 1 1 TYR H1 1 1 TYR HB3 2.900 . 4.000 3.453 2.452 4.034 0.034 14 0 "[ . 1 . ]" 1
284 1 31 ILE H 1 32 TYR H 3.000 . 4.100 2.881 2.815 2.976 . 0 0 "[ . 1 . ]" 1
285 1 32 TYR H 1 33 HIS H 2.900 . 4.000 2.666 2.638 2.703 . 0 0 "[ . 1 . ]" 1
286 1 32 TYR H 1 32 TYR QD 2.700 . 4.500 3.148 2.045 4.168 . 0 0 "[ . 1 . ]" 1
287 1 30 SER HA 1 32 TYR H 2.500 . 4.500 3.624 3.546 3.714 . 0 0 "[ . 1 . ]" 1
288 1 32 TYR H 1 32 TYR HA 2.700 . 3.600 2.793 2.779 2.804 . 0 0 "[ . 1 . ]" 1
289 1 30 SER HB2 1 32 TYR H 3.000 . 4.100 3.172 2.686 4.374 0.274 13 0 "[ . 1 . ]" 1
290 1 32 TYR H 1 32 TYR HB2 2.700 . 3.600 2.286 2.064 2.679 . 0 0 "[ . 1 . ]" 1
291 1 32 TYR H 1 32 TYR HB3 2.700 . 3.600 3.297 2.579 3.590 . 0 0 "[ . 1 . ]" 1
292 1 31 ILE HB 1 32 TYR H 3.200 . 4.500 3.939 3.817 3.996 . 0 0 "[ . 1 . ]" 1
293 1 31 ILE QG 1 32 TYR H 3.200 . 4.500 4.146 4.096 4.210 . 0 0 "[ . 1 . ]" 1
294 1 31 ILE MG 1 32 TYR H 2.600 . 3.400 2.288 2.038 2.425 . 0 0 "[ . 1 . ]" 1
295 1 61 ASP H 1 61 ASP HA 2.400 . 3.100 2.825 2.786 2.886 . 0 0 "[ . 1 . ]" 1
296 1 61 ASP H 1 61 ASP QB 2.200 . 2.800 2.094 2.044 2.172 . 0 0 "[ . 1 . ]" 1
297 1 61 ASP HA 1 62 LEU H 2.700 . 3.600 3.493 3.463 3.542 . 0 0 "[ . 1 . ]" 1
298 1 62 LEU H 1 62 LEU HA 2.300 . 3.000 2.827 2.778 2.874 . 0 0 "[ . 1 . ]" 1
299 1 60 GLN HA 1 62 LEU H 3.100 . 4.300 3.956 3.772 4.290 . 0 0 "[ . 1 . ]" 1
300 1 62 LEU H 1 62 LEU HG 2.100 . 2.700 2.289 1.929 2.763 0.063 5 0 "[ . 1 . ]" 1
301 1 62 LEU H 1 62 LEU HB2 2.400 . 3.100 2.607 2.347 3.526 0.426 5 0 "[ . 1 . ]" 1
302 1 62 LEU H 1 62 LEU QD 2.600 . 3.400 2.918 2.038 3.142 . 0 0 "[ . 1 . ]" 1
303 1 61 ASP H 1 62 LEU QD 3.300 . 4.700 4.306 3.377 4.500 . 0 0 "[ . 1 . ]" 1
304 1 58 GLY H 1 60 GLN H 2.900 . 4.000 4.020 3.946 4.054 0.054 14 0 "[ . 1 . ]" 1
305 1 60 GLN H 1 60 GLN HE21 3.000 . 4.100 3.822 3.589 4.072 . 0 0 "[ . 1 . ]" 1
306 1 59 LEU HA 1 60 GLN H 3.000 . 4.100 3.503 3.443 3.540 . 0 0 "[ . 1 . ]" 1
307 1 60 GLN H 1 60 GLN QG 2.500 . 3.300 2.266 1.902 2.666 . 0 0 "[ . 1 . ]" 1
308 1 59 LEU QD 1 60 GLN H 3.100 . 4.300 4.096 4.001 4.170 . 0 0 "[ . 1 . ]" 1
309 1 63 LYS HA 1 64 GLN H 2.300 . 4.500 3.399 2.803 3.572 . 0 0 "[ . 1 . ]" 1
310 1 64 GLN H 1 64 GLN QG 2.500 . 3.300 2.621 1.947 3.300 0.000 18 0 "[ . 1 . ]" 1
311 1 64 GLN H 1 64 GLN HB2 2.500 . 3.300 2.765 2.082 3.594 0.294 5 0 "[ . 1 . ]" 1
312 1 64 GLN H 1 64 GLN HB3 2.200 . 4.500 3.377 2.429 4.083 . 0 0 "[ . 1 . ]" 1
313 1 63 LYS QD 1 64 GLN H 3.200 . 4.500 4.217 3.174 4.540 0.040 17 0 "[ . 1 . ]" 1
314 1 61 ASP HA 1 63 LYS H 3.300 . 4.700 4.457 3.760 4.708 0.008 16 0 "[ . 1 . ]" 1
315 1 63 LYS H 1 63 LYS HA 2.300 . 3.000 2.828 2.726 2.927 . 0 0 "[ . 1 . ]" 1
316 1 60 GLN HA 1 63 LYS H 3.000 . 4.100 3.365 3.133 3.751 . 0 0 "[ . 1 . ]" 1
317 1 63 LYS H 1 63 LYS QE 3.500 . 5.000 4.417 3.837 5.005 0.005 5 0 "[ . 1 . ]" 1
318 1 61 ASP QB 1 63 LYS H 3.500 . 5.000 4.872 4.444 5.007 0.007 10 0 "[ . 1 . ]" 1
319 1 63 LYS H 1 63 LYS HB3 2.300 . 3.000 2.844 2.458 3.338 0.338 4 0 "[ . 1 . ]" 1
320 1 62 LEU HB2 1 63 LYS H 2.400 . 3.100 2.573 2.301 3.909 0.809 5 1 "[ + 1 . ]" 1
321 1 62 LEU QD 1 63 LYS H 3.000 . 4.100 3.777 2.856 3.882 . 0 0 "[ . 1 . ]" 1
322 1 8 VAL H 1 8 VAL MG1 2.500 . 3.300 2.991 1.961 3.767 0.467 5 0 "[ . 1 . ]" 1
323 1 8 VAL H 1 8 VAL HB 2.900 . 4.000 3.068 2.552 3.621 . 0 0 "[ . 1 . ]" 1
324 1 51 TYR HA 1 52 ARG H 3.100 . 4.300 2.931 2.834 3.156 . 0 0 "[ . 1 . ]" 1
325 1 52 ARG H 1 52 ARG HA 2.700 . 3.600 2.759 2.722 2.809 . 0 0 "[ . 1 . ]" 1
326 1 49 GLU HA 1 52 ARG H 2.800 . 3.800 3.115 2.698 3.477 . 0 0 "[ . 1 . ]" 1
327 1 52 ARG H 1 52 ARG QD 3.100 . 4.300 3.904 3.388 4.342 0.042 17 0 "[ . 1 . ]" 1
328 1 51 TYR HB2 1 52 ARG H 3.200 . 4.500 4.099 3.823 4.309 . 0 0 "[ . 1 . ]" 1
329 1 49 GLU QG 1 52 ARG H 3.400 . 4.800 3.918 3.117 4.826 0.026 12 0 "[ . 1 . ]" 1
330 1 52 ARG H 1 52 ARG HB2 2.500 . 3.300 2.074 2.036 2.134 . 0 0 "[ . 1 . ]" 1
331 1 52 ARG H 1 52 ARG HB3 2.400 . 3.100 3.119 3.032 3.149 0.049 16 0 "[ . 1 . ]" 1
332 1 52 ARG H 1 52 ARG QG 2.800 . 3.800 3.730 3.600 3.904 0.104 13 0 "[ . 1 . ]" 1
333 1 43 GLY HA2 1 47 ILE H 3.300 . 4.700 3.947 3.590 4.214 . 0 0 "[ . 1 . ]" 1
334 1 47 ILE H 1 47 ILE MG 2.700 . 4.500 3.783 3.756 3.796 . 0 0 "[ . 1 . ]" 1
335 1 45 LEU QD 1 47 ILE H 3.400 . 4.800 4.069 4.002 4.144 . 0 0 "[ . 1 . ]" 1
336 1 47 ILE H 1 47 ILE MD 2.700 . 3.600 3.343 2.554 3.622 0.022 14 0 "[ . 1 . ]" 1
337 1 45 LEU HA 1 47 ILE H 3.200 . 4.500 4.516 4.351 4.594 0.094 6 0 "[ . 1 . ]" 1
338 1 47 ILE H 1 47 ILE HA 2.800 . 3.800 2.885 2.811 2.903 . 0 0 "[ . 1 . ]" 1
339 1 47 ILE H 1 47 ILE HB 2.400 . 3.100 2.745 2.604 2.833 . 0 0 "[ . 1 . ]" 1
340 1 47 ILE H 1 47 ILE QG 2.300 . 3.000 1.931 1.892 2.087 . 0 0 "[ . 1 . ]" 1
341 1 9 SER H 1 9 SER QB 3.100 . 4.300 2.498 2.146 2.899 . 0 0 "[ . 1 . ]" 1
342 1 9 SER H 1 9 SER HA 2.700 . 3.600 2.801 2.768 2.851 . 0 0 "[ . 1 . ]" 1
343 1 8 VAL HB 1 9 SER H 2.900 . 4.000 3.073 2.145 3.996 . 0 0 "[ . 1 . ]" 1
344 1 8 VAL QG 1 9 SER H 3.000 . 4.100 2.573 1.923 3.271 . 0 0 "[ . 1 . ]" 1
345 1 29 GLN H 1 29 GLN HG2 2.900 . 4.000 2.321 1.944 3.031 . 0 0 "[ . 1 . ]" 1
346 1 29 GLN H 1 29 GLN HG3 3.100 . 4.300 2.709 2.038 3.586 . 0 0 "[ . 1 . ]" 1
347 1 29 GLN H 1 29 GLN QB 3.000 . 4.100 2.832 2.681 3.067 . 0 0 "[ . 1 . ]" 1
348 1 28 LEU QD 1 29 GLN H 3.100 . 4.300 3.822 3.736 3.881 . 0 0 "[ . 1 . ]" 1
349 1 66 HIS H 1 66 HIS HA 3.000 . 4.100 2.940 2.926 2.947 . 0 0 "[ . 1 . ]" 1
350 1 65 GLY QA 1 66 HIS H 2.700 . 3.600 2.352 2.112 2.937 . 0 0 "[ . 1 . ]" 1
351 1 66 HIS H 1 66 HIS HB2 3.100 . 4.300 2.861 2.241 3.792 . 0 0 "[ . 1 . ]" 1
352 1 66 HIS H 1 66 HIS HB3 3.000 . 4.100 3.180 2.562 3.844 . 0 0 "[ . 1 . ]" 1
353 1 51 TYR HA 1 54 THR H 3.100 . 4.300 3.309 3.084 3.490 . 0 0 "[ . 1 . ]" 1
354 1 53 MET HA 1 54 THR H 2.300 . 4.500 3.548 3.495 3.573 . 0 0 "[ . 1 . ]" 1
355 1 54 THR H 1 54 THR HB 2.500 . 3.300 2.484 2.437 2.529 . 0 0 "[ . 1 . ]" 1
356 1 54 THR H 1 54 THR HA 2.500 . 3.300 2.768 2.737 2.802 . 0 0 "[ . 1 . ]" 1
357 1 53 MET QG 1 54 THR H 3.200 . 4.500 3.464 1.893 4.422 0.007 11 0 "[ . 1 . ]" 1
358 1 54 THR H 1 54 THR MG 2.700 . 4.500 3.751 3.740 3.759 . 0 0 "[ . 1 . ]" 1
359 1 33 HIS HA 1 34 LEU H 3.100 . 4.300 3.441 3.379 3.483 . 0 0 "[ . 1 . ]" 1
360 1 34 LEU H 1 34 LEU HA 2.900 . 4.000 2.940 2.927 2.945 . 0 0 "[ . 1 . ]" 1
361 1 34 LEU H 1 35 GLN HA 3.300 . 4.700 4.475 4.309 4.585 . 0 0 "[ . 1 . ]" 1
362 1 33 HIS QB 1 34 LEU H 3.000 . 4.100 3.042 2.883 3.216 . 0 0 "[ . 1 . ]" 1
363 1 34 LEU H 1 34 LEU HB2 2.800 . 3.800 3.574 3.516 3.602 . 0 0 "[ . 1 . ]" 1
364 1 34 LEU H 1 34 LEU HG 2.900 . 4.000 2.140 2.040 2.308 . 0 0 "[ . 1 . ]" 1
365 1 34 LEU H 1 34 LEU HB3 2.700 . 3.600 3.301 3.157 3.415 . 0 0 "[ . 1 . ]" 1
366 1 34 LEU H 1 34 LEU MD2 2.600 . 3.400 1.901 1.873 1.962 . 0 0 "[ . 1 . ]" 1
367 1 34 LEU H 1 34 LEU MD1 2.800 . 3.800 3.711 3.646 3.783 . 0 0 "[ . 1 . ]" 1
368 1 22 TYR H 1 24 THR H 3.100 . 4.300 4.120 3.757 4.303 0.003 16 0 "[ . 1 . ]" 1
369 1 21 GLU H 1 22 TYR H 2.700 . 3.600 2.724 2.528 2.860 . 0 0 "[ . 1 . ]" 1
370 1 21 GLU HA 1 22 TYR H 3.000 . 4.100 3.537 3.517 3.550 . 0 0 "[ . 1 . ]" 1
371 1 22 TYR H 1 22 TYR HA 2.600 . 3.400 2.859 2.834 2.879 . 0 0 "[ . 1 . ]" 1
372 1 20 ILE HA 1 22 TYR H 3.100 . 4.300 4.332 4.307 4.364 0.064 17 0 "[ . 1 . ]" 1
373 1 22 TYR H 1 22 TYR HB2 2.600 . 4.500 2.588 2.458 2.847 . 0 0 "[ . 1 . ]" 1
374 1 22 TYR H 1 22 TYR HB3 2.500 . 3.300 3.602 3.583 3.620 0.320 2 0 "[ . 1 . ]" 1
375 1 21 GLU HG2 1 22 TYR H 3.200 . 4.500 3.451 1.958 4.527 0.027 2 0 "[ . 1 . ]" 1
376 1 21 GLU HG3 1 22 TYR H 3.200 . 4.500 3.623 2.348 4.509 0.009 4 0 "[ . 1 . ]" 1
377 1 21 GLU HB3 1 22 TYR H 2.700 . 3.600 3.715 3.084 3.998 0.398 16 0 "[ . 1 . ]" 1
378 1 26 GLN H 1 26 GLN HA 2.700 . 3.600 2.933 2.928 2.939 . 0 0 "[ . 1 . ]" 1
379 1 23 PHE HA 1 26 GLN H 3.400 . 4.800 3.908 3.685 4.094 . 0 0 "[ . 1 . ]" 1
380 1 25 SER HA 1 26 GLN H 2.900 . 4.000 3.462 3.446 3.492 . 0 0 "[ . 1 . ]" 1
381 1 24 THR HA 1 26 GLN H 3.200 . 4.500 3.606 3.509 3.666 . 0 0 "[ . 1 . ]" 1
382 1 26 GLN H 1 27 GLY HA3 3.400 . 4.800 4.913 4.737 5.009 0.209 4 0 "[ . 1 . ]" 1
383 1 26 GLN H 1 26 GLN HG2 2.600 . 3.400 2.027 1.938 2.562 . 0 0 "[ . 1 . ]" 1
384 1 26 GLN H 1 26 GLN HG3 2.800 . 3.800 3.564 3.457 3.748 . 0 0 "[ . 1 . ]" 1
385 1 26 GLN H 1 26 GLN QB 2.700 . 3.600 2.807 2.716 3.159 . 0 0 "[ . 1 . ]" 1
386 1 57 ARG H 1 59 LEU H 3.500 . 5.000 4.089 3.870 4.222 . 0 0 "[ . 1 . ]" 1
387 1 56 TRP HD1 1 57 ARG H 3.300 . 4.700 4.678 4.280 4.758 0.058 5 0 "[ . 1 . ]" 1
388 1 56 TRP HE3 1 57 ARG H 3.400 . 4.800 3.894 3.355 4.562 . 0 0 "[ . 1 . ]" 1
389 1 53 MET HA 1 57 ARG H 3.100 . 4.300 3.935 3.730 4.107 . 0 0 "[ . 1 . ]" 1
390 1 56 TRP HA 1 57 ARG H 3.300 . 4.700 3.564 3.544 3.582 . 0 0 "[ . 1 . ]" 1
391 1 54 THR HA 1 57 ARG H 3.300 . 4.700 3.751 3.487 4.065 . 0 0 "[ . 1 . ]" 1
392 1 57 ARG H 1 57 ARG HA 2.700 . 3.600 2.755 2.712 2.801 . 0 0 "[ . 1 . ]" 1
393 1 56 TRP HB3 1 57 ARG H 3.000 . 4.100 2.464 2.240 2.630 . 0 0 "[ . 1 . ]" 1
394 1 57 ARG H 1 57 ARG HG2 2.400 . 3.100 2.203 1.945 3.325 0.225 14 0 "[ . 1 . ]" 1
395 1 57 ARG H 1 57 ARG HG3 2.800 . 3.800 2.789 2.312 3.106 . 0 0 "[ . 1 . ]" 1
396 1 19 CYS H 1 21 GLU H 3.600 . 5.200 3.927 3.676 4.109 . 0 0 "[ . 1 . ]" 1
397 1 21 GLU H 1 23 PHE H 3.200 . 4.500 3.898 3.668 4.063 . 0 0 "[ . 1 . ]" 1
398 1 21 GLU H 1 21 GLU HA 2.700 . 3.600 2.792 2.748 2.848 . 0 0 "[ . 1 . ]" 1
399 1 20 ILE HA 1 21 GLU H 3.100 . 4.300 3.517 3.468 3.553 . 0 0 "[ . 1 . ]" 1
400 1 21 GLU H 1 21 GLU HG2 2.900 . 4.000 2.317 1.948 4.130 0.130 15 0 "[ . 1 . ]" 1
401 1 21 GLU H 1 21 GLU HG3 2.800 . 3.800 3.167 2.323 3.776 . 0 0 "[ . 1 . ]" 1
402 1 21 GLU H 1 21 GLU HB2 2.300 . 3.000 2.983 2.447 3.591 0.591 3 7 "[ + .* ** * .- *]" 1
403 1 21 GLU H 1 24 THR MG 3.400 . 4.800 4.145 3.496 4.422 . 0 0 "[ . 1 . ]" 1
404 1 20 ILE MG 1 21 GLU H 2.600 . 3.400 1.997 1.836 2.206 . 0 0 "[ . 1 . ]" 1
405 1 25 SER H 1 26 GLN H 2.700 . 3.600 2.765 2.624 2.846 . 0 0 "[ . 1 . ]" 1
406 1 21 GLU HA 1 25 SER H 3.000 . 4.500 4.436 4.128 4.533 0.033 17 0 "[ . 1 . ]" 1
407 1 25 SER H 1 25 SER HA 2.600 . 3.400 2.759 2.729 2.826 . 0 0 "[ . 1 . ]" 1
408 1 32 TYR HA 1 34 LEU H 3.500 . 5.000 3.995 3.789 4.225 . 0 0 "[ . 1 . ]" 1
409 1 24 THR H 1 25 SER H 2.800 . 3.800 2.699 2.542 2.844 . 0 0 "[ . 1 . ]" 1
410 1 23 PHE H 1 25 SER H 3.200 . 4.500 3.882 3.752 4.082 . 0 0 "[ . 1 . ]" 1
411 1 25 SER H 1 26 GLN HG2 3.400 . 4.800 3.928 3.694 4.578 . 0 0 "[ . 1 . ]" 1
412 1 24 THR MG 1 25 SER H 3.000 . 4.100 3.744 2.009 4.123 0.023 4 0 "[ . 1 . ]" 1
413 1 38 THR H 1 42 LEU H 3.400 . 4.800 3.817 3.572 4.263 . 0 0 "[ . 1 . ]" 1
414 1 42 LEU H 1 45 LEU H 3.600 . 5.200 5.242 5.216 5.290 0.090 17 0 "[ . 1 . ]" 1
415 1 41 ASP HA 1 42 LEU H 3.200 . 4.500 3.476 3.403 3.511 . 0 0 "[ . 1 . ]" 1
416 1 42 LEU H 1 42 LEU HA 2.800 . 3.800 2.776 2.739 2.843 . 0 0 "[ . 1 . ]" 1
417 1 39 ILE HA 1 42 LEU H 2.900 . 4.000 3.085 2.918 3.171 . 0 0 "[ . 1 . ]" 1
418 1 41 ASP HB2 1 42 LEU H 2.900 . 4.000 3.089 2.868 3.374 . 0 0 "[ . 1 . ]" 1
419 1 41 ASP HB3 1 42 LEU H 3.100 . 4.300 3.539 3.200 3.855 . 0 0 "[ . 1 . ]" 1
420 1 42 LEU H 1 42 LEU QB 2.300 . 3.000 2.364 2.218 2.499 . 0 0 "[ . 1 . ]" 1
421 1 42 LEU H 1 42 LEU HG 2.600 . 3.400 3.043 2.733 3.400 . 0 0 "[ . 1 . ]" 1
422 1 42 LEU H 1 42 LEU QD 2.700 . 3.600 2.150 2.068 2.361 . 0 0 "[ . 1 . ]" 1
423 1 39 ILE MG 1 42 LEU H 3.400 . 4.800 4.717 4.604 4.802 0.002 10 0 "[ . 1 . ]" 1
424 1 40 GLU H 1 42 LEU H 3.500 . 5.000 3.836 3.703 3.926 . 0 0 "[ . 1 . ]" 1
425 1 39 ILE MD 1 42 LEU H 3.500 . 5.000 4.307 3.888 4.686 . 0 0 "[ . 1 . ]" 1
426 1 51 TYR H 1 55 ILE MD 3.400 . 4.800 3.755 3.203 4.666 . 0 0 "[ . 1 . ]" 1
427 1 45 LEU H 1 47 ILE H 3.200 . 4.500 4.099 3.898 4.267 . 0 0 "[ . 1 . ]" 1
428 1 41 ASP HA 1 45 LEU H 3.500 . 5.000 4.811 4.523 5.019 0.019 13 0 "[ . 1 . ]" 1
429 1 45 LEU H 1 45 LEU HA 2.400 . 3.100 2.765 2.704 2.845 . 0 0 "[ . 1 . ]" 1
430 1 42 LEU HA 1 45 LEU H 3.100 . 4.300 3.811 3.619 3.988 . 0 0 "[ . 1 . ]" 1
431 1 45 LEU H 1 45 LEU QD 2.500 . 3.300 1.902 1.824 2.912 . 0 0 "[ . 1 . ]" 1
432 1 45 LEU H 1 45 LEU HB2 2.600 . 3.400 2.294 2.182 2.341 . 0 0 "[ . 1 . ]" 1
433 1 44 ALA MB 1 45 LEU H 2.500 . 3.300 2.631 2.438 2.861 . 0 0 "[ . 1 . ]" 1
434 1 45 LEU H 1 45 LEU HB3 2.600 . 4.500 3.524 3.463 3.548 . 0 0 "[ . 1 . ]" 1
435 1 45 LEU H 1 45 LEU HG 2.700 . 3.600 3.641 2.758 3.713 0.113 2 0 "[ . 1 . ]" 1
436 1 45 LEU H 1 47 ILE MD 3.400 . 4.800 4.699 4.363 4.839 0.039 4 0 "[ . 1 . ]" 1
437 1 14 LEU H 1 16 CYS H 3.000 . 4.100 3.754 3.625 3.852 . 0 0 "[ . 1 . ]" 1
438 1 14 LEU H 1 14 LEU HA 2.500 . 3.300 2.790 2.747 2.813 . 0 0 "[ . 1 . ]" 1
439 1 13 GLY HA2 1 14 LEU H 2.800 . 3.800 3.478 3.443 3.503 . 0 0 "[ . 1 . ]" 1
440 1 14 LEU H 1 14 LEU HB2 2.500 . 3.300 2.073 2.010 2.422 . 0 0 "[ . 1 . ]" 1
441 1 14 LEU H 1 14 LEU HB3 2.300 . 3.000 2.981 2.476 3.084 0.084 18 0 "[ . 1 . ]" 1
442 1 14 LEU H 1 14 LEU HG 2.600 . 4.500 4.536 4.413 4.587 0.087 9 0 "[ . 1 . ]" 1
443 1 14 LEU H 1 14 LEU QD 2.700 . 3.600 3.137 3.013 3.628 0.028 11 0 "[ . 1 . ]" 1
444 1 10 PHE HA 1 12 THR H 3.400 . 4.800 4.527 3.990 4.728 . 0 0 "[ . 1 . ]" 1
445 1 50 GLN HA 1 51 TYR H 3.200 . 4.500 3.546 3.494 3.568 . 0 0 "[ . 1 . ]" 1
446 1 39 ILE MD 1 53 MET H 3.400 . 4.800 2.819 2.449 3.342 . 0 0 "[ . 1 . ]" 1
447 1 52 ARG H 1 53 MET H 2.800 . 3.800 2.945 2.776 3.098 . 0 0 "[ . 1 . ]" 1
448 1 53 MET H 1 53 MET HA 2.300 . 3.000 2.793 2.761 2.846 . 0 0 "[ . 1 . ]" 1
449 1 52 ARG HA 1 53 MET H 3.100 . 4.300 3.561 3.492 3.572 . 0 0 "[ . 1 . ]" 1
450 1 52 ARG QD 1 53 MET H 3.600 . 5.200 4.825 4.012 5.202 0.002 3 0 "[ . 1 . ]" 1
451 1 53 MET H 1 53 MET QG 2.700 . 3.600 2.429 1.922 3.744 0.144 2 0 "[ . 1 . ]" 1
452 1 53 MET H 1 53 MET QB 2.300 . 3.000 2.421 2.083 2.722 . 0 0 "[ . 1 . ]" 1
453 1 52 ARG HB2 1 53 MET H 2.700 . 3.600 3.207 3.028 3.548 . 0 0 "[ . 1 . ]" 1
454 1 52 ARG HB3 1 53 MET H 2.800 . 3.800 2.388 2.017 3.011 . 0 0 "[ . 1 . ]" 1
455 1 52 ARG QG 1 53 MET H 3.400 . 4.800 4.076 3.874 4.415 . 0 0 "[ . 1 . ]" 1
456 1 12 THR H 1 12 THR HA 2.700 . 3.600 2.859 2.773 2.893 . 0 0 "[ . 1 . ]" 1
457 1 12 THR H 1 12 THR HB 2.800 . 3.800 2.493 2.375 2.729 . 0 0 "[ . 1 . ]" 1
458 1 8 VAL HA 1 12 THR H 3.300 . 4.700 3.741 3.343 4.166 . 0 0 "[ . 1 . ]" 1
459 1 11 LEU QB 1 12 THR H 3.100 . 4.300 2.348 2.168 3.557 . 0 0 "[ . 1 . ]" 1
460 1 12 THR H 1 12 THR MG 2.700 . 4.500 3.751 3.735 3.777 . 0 0 "[ . 1 . ]" 1
461 1 12 THR H 1 20 ILE MD 3.300 . 4.700 3.818 3.463 4.715 0.015 4 0 "[ . 1 . ]" 1
462 1 11 LEU QD 1 12 THR H 3.400 . 4.800 3.137 1.800 3.776 0.200 4 0 "[ . 1 . ]" 1
463 1 50 GLN H 1 51 TYR H 3.200 . 4.500 2.536 2.334 2.822 . 0 0 "[ . 1 . ]" 1
464 1 51 TYR H 1 51 TYR QD 2.800 . 4.500 3.101 2.316 3.555 . 0 0 "[ . 1 . ]" 1
465 1 51 TYR H 1 51 TYR HA 2.800 . 3.800 2.927 2.925 2.935 . 0 0 "[ . 1 . ]" 1
466 1 51 TYR H 1 51 TYR HB2 2.700 . 3.600 3.087 2.896 3.647 0.047 5 0 "[ . 1 . ]" 1
467 1 51 TYR H 1 52 ARG HB2 3.000 . 4.100 3.973 3.735 4.132 0.032 13 0 "[ . 1 . ]" 1
468 1 50 GLN HB3 1 51 TYR H 2.800 . 3.800 3.605 2.445 3.957 0.157 9 0 "[ . 1 . ]" 1
469 1 50 GLN HG3 1 51 TYR H 2.900 . 4.500 4.108 3.684 4.591 0.091 13 0 "[ . 1 . ]" 1
470 1 30 SER H 1 33 HIS H 3.100 . 4.300 4.266 4.178 4.333 0.033 14 0 "[ . 1 . ]" 1
471 1 33 HIS H 1 35 GLN H 2.900 . 4.000 3.946 3.805 4.019 0.019 18 0 "[ . 1 . ]" 1
472 1 30 SER HA 1 33 HIS H 2.400 . 4.500 4.578 4.530 4.611 0.111 16 0 "[ . 1 . ]" 1
473 1 33 HIS H 1 33 HIS HA 2.600 . 3.400 2.894 2.879 2.902 . 0 0 "[ . 1 . ]" 1
474 1 32 TYR HA 1 33 HIS H 3.000 . 4.100 3.446 3.431 3.457 . 0 0 "[ . 1 . ]" 1
475 1 31 ILE HA 1 33 HIS H 3.200 . 4.500 3.556 3.495 3.649 . 0 0 "[ . 1 . ]" 1
476 1 33 HIS H 1 33 HIS HB2 2.500 . 3.300 2.313 2.139 2.702 . 0 0 "[ . 1 . ]" 1
477 1 32 TYR HB2 1 33 HIS H 3.000 . 4.100 3.430 3.033 4.108 0.008 15 0 "[ . 1 . ]" 1
478 1 32 TYR HB3 1 33 HIS H 3.000 . 4.100 3.575 3.073 4.104 0.004 4 0 "[ . 1 . ]" 1
479 1 33 HIS H 1 34 LEU HG 3.400 . 4.800 3.881 3.749 4.119 . 0 0 "[ . 1 . ]" 1
480 1 33 HIS H 1 34 LEU MD2 3.100 . 4.300 2.489 2.268 2.639 . 0 0 "[ . 1 . ]" 1
481 1 30 SER HB2 1 33 HIS H 3.100 . 4.300 3.197 2.956 4.798 0.498 13 0 "[ . 1 . ]" 1
482 1 33 HIS H 1 35 GLN HB2 3.500 . 5.000 4.978 4.776 5.077 0.077 15 0 "[ . 1 . ]" 1
483 1 28 LEU QD 1 33 HIS H 3.100 . 4.500 4.530 4.412 4.572 0.072 4 0 "[ . 1 . ]" 1
484 1 13 GLY HA3 1 14 LEU H 2.600 . 3.400 2.956 2.902 3.019 . 0 0 "[ . 1 . ]" 1
485 1 12 THR MG 1 14 LEU H 3.400 . 4.800 4.708 4.555 4.823 0.023 14 0 "[ . 1 . ]" 1
486 1 50 GLN H 1 50 GLN HA 2.700 . 3.600 2.871 2.773 2.901 . 0 0 "[ . 1 . ]" 1
487 1 49 GLU HA 1 50 GLN H 3.500 . 5.000 2.722 2.446 3.038 . 0 0 "[ . 1 . ]" 1
488 1 50 GLN H 1 50 GLN HB2 2.800 . 3.800 2.607 2.126 2.817 . 0 0 "[ . 1 . ]" 1
489 1 50 GLN H 1 50 GLN HB3 2.600 . 3.400 2.792 1.974 3.304 . 0 0 "[ . 1 . ]" 1
490 1 50 GLN H 1 50 GLN HG3 3.000 . 4.100 2.560 1.964 4.132 0.032 13 0 "[ . 1 . ]" 1
491 1 18 ASN H 1 19 CYS H 2.900 . 4.000 2.134 1.962 2.261 . 0 0 "[ . 1 . ]" 1
492 1 16 CYS HA 1 18 ASN H 3.200 . 4.500 3.201 3.121 3.399 . 0 0 "[ . 1 . ]" 1
493 1 18 ASN H 1 19 CYS HA 1.900 . 4.500 4.506 4.449 4.556 0.056 15 0 "[ . 1 . ]" 1
494 1 18 ASN H 1 18 ASN HA 3.000 . 4.100 2.933 2.916 2.943 . 0 0 "[ . 1 . ]" 1
495 1 17 PRO HA 1 18 ASN H 3.500 . 5.000 3.333 3.122 3.518 . 0 0 "[ . 1 . ]" 1
496 1 17 PRO HD2 1 18 ASN H 3.100 . 4.300 2.776 2.459 3.090 . 0 0 "[ . 1 . ]" 1
497 1 17 PRO HD3 1 18 ASN H 3.400 . 4.800 3.911 3.647 4.123 . 0 0 "[ . 1 . ]" 1
498 1 18 ASN H 1 18 ASN QB 2.900 . 4.000 2.735 2.482 3.153 . 0 0 "[ . 1 . ]" 1
499 1 16 CYS QB 1 18 ASN H 3.500 . 5.000 3.647 3.177 4.374 . 0 0 "[ . 1 . ]" 1
500 1 17 PRO QG 1 18 ASN H 3.100 . 4.300 3.304 2.365 4.183 . 0 0 "[ . 1 . ]" 1
501 1 12 THR H 1 14 LEU H 3.400 . 4.800 3.888 3.591 4.032 . 0 0 "[ . 1 . ]" 1
502 1 10 PHE H 1 11 LEU H 3.100 . 4.300 2.428 2.256 2.587 . 0 0 "[ . 1 . ]" 1
503 1 10 PHE HA 1 11 LEU H 3.200 . 4.500 3.558 3.524 3.576 . 0 0 "[ . 1 . ]" 1
504 1 7 LEU HA 1 11 LEU H 3.300 . 4.700 3.881 3.501 4.070 . 0 0 "[ . 1 . ]" 1
505 1 11 LEU H 1 11 LEU HA 3.000 . 4.100 2.744 2.722 2.803 . 0 0 "[ . 1 . ]" 1
506 1 10 PHE HB2 1 11 LEU H 3.100 . 4.300 2.959 2.467 3.481 . 0 0 "[ . 1 . ]" 1
507 1 10 PHE HB3 1 11 LEU H 3.100 . 4.300 2.843 2.278 3.209 . 0 0 "[ . 1 . ]" 1
508 1 11 LEU H 1 11 LEU HG 2.900 . 4.500 4.435 3.905 4.538 0.038 12 0 "[ . 1 . ]" 1
509 1 11 LEU H 1 11 LEU QB 3.000 . 4.100 2.145 2.082 2.186 . 0 0 "[ . 1 . ]" 1
510 1 11 LEU H 1 20 ILE MD 3.400 . 4.800 4.579 4.262 4.807 0.007 17 0 "[ . 1 . ]" 1
511 1 11 LEU H 1 11 LEU QD 3.000 . 4.100 3.408 1.971 3.623 . 0 0 "[ . 1 . ]" 1
512 1 7 LEU QD 1 11 LEU H 3.400 . 4.800 2.969 2.597 3.218 . 0 0 "[ . 1 . ]" 1
513 1 35 GLN H 1 36 ASN H 3.000 . 4.100 2.636 2.512 2.851 . 0 0 "[ . 1 . ]" 1
514 1 36 ASN H 1 36 ASN HA 2.600 . 3.400 2.939 2.929 2.945 . 0 0 "[ . 1 . ]" 1
515 1 35 GLN HA 1 36 ASN H 2.900 . 4.000 3.468 3.425 3.522 . 0 0 "[ . 1 . ]" 1
516 1 36 ASN H 1 36 ASN QB 2.800 . 3.600 2.631 2.235 3.004 . 0 0 "[ . 1 . ]" 1
517 1 35 GLN QG 1 36 ASN H 3.000 . 4.100 4.124 3.875 4.259 0.159 16 0 "[ . 1 . ]" 1
518 1 36 ASN H 1 37 LEU HB3 3.600 . 5.200 5.132 4.596 5.267 0.067 16 0 "[ . 1 . ]" 1
519 1 17 PRO HA 1 19 CYS H 3.200 . 4.500 4.064 3.850 4.199 . 0 0 "[ . 1 . ]" 1
520 1 33 HIS HA 1 35 GLN H 3.500 . 5.000 3.816 3.604 4.081 . 0 0 "[ . 1 . ]" 1
521 1 34 LEU HA 1 35 GLN H 3.100 . 4.300 3.090 2.957 3.292 . 0 0 "[ . 1 . ]" 1
522 1 32 TYR HA 1 35 GLN H 3.200 . 4.500 3.634 3.317 3.862 . 0 0 "[ . 1 . ]" 1
523 1 35 GLN H 1 35 GLN HA 2.500 . 3.300 2.803 2.731 2.851 . 0 0 "[ . 1 . ]" 1
524 1 35 GLN H 1 35 GLN QG 2.400 . 4.500 3.665 2.746 4.014 . 0 0 "[ . 1 . ]" 1
525 1 35 GLN H 1 35 GLN HB2 2.400 . 3.100 2.318 2.111 2.517 . 0 0 "[ . 1 . ]" 1
526 1 34 LEU HB2 1 35 GLN H 3.200 . 4.500 4.213 4.037 4.300 . 0 0 "[ . 1 . ]" 1
527 1 34 LEU HG 1 35 GLN H 3.300 . 4.700 3.610 3.294 3.732 . 0 0 "[ . 1 . ]" 1
528 1 34 LEU HB3 1 35 GLN H 3.000 . 4.500 4.591 4.535 4.610 0.110 3 0 "[ . 1 . ]" 1
529 1 56 TRP HH2 1 60 GLN HE22 3.200 . 4.500 3.124 2.518 4.467 . 0 0 "[ . 1 . ]" 1
530 1 57 ARG HA 1 60 GLN HE22 3.200 . 4.500 3.261 2.960 3.543 . 0 0 "[ . 1 . ]" 1
531 1 60 GLN HB2 1 60 GLN HE22 3.000 . 4.100 4.002 3.800 4.257 0.157 9 0 "[ . 1 . ]" 1
532 1 60 GLN HE22 1 60 GLN QG 2.800 . 3.800 3.337 3.247 3.434 . 0 0 "[ . 1 . ]" 1
533 1 57 ARG HA 1 60 GLN HE21 3.100 . 4.300 2.287 1.941 2.938 . 0 0 "[ . 1 . ]" 1
534 1 60 GLN HB2 1 60 GLN HE21 2.900 . 4.000 3.115 2.603 3.723 . 0 0 "[ . 1 . ]" 1
535 1 60 GLN HE21 1 60 GLN QG 2.600 . 3.400 2.345 2.105 2.635 . 0 0 "[ . 1 . ]" 1
536 1 56 TRP HE3 1 60 GLN HE21 3.200 . 4.500 3.645 3.390 3.822 . 0 0 "[ . 1 . ]" 1
537 1 56 TRP HA 1 60 GLN HE21 3.500 . 5.000 4.893 4.659 5.034 0.034 5 0 "[ . 1 . ]" 1
538 1 30 SER H 1 33 HIS QB 2.700 . 3.600 3.345 3.151 3.464 . 0 0 "[ . 1 . ]" 1
539 1 29 GLN HG2 1 30 SER H 2.900 . 4.000 3.201 2.206 4.497 0.497 9 0 "[ . 1 . ]" 1
540 1 30 SER H 1 34 LEU MD2 3.300 . 4.700 3.523 3.236 3.686 . 0 0 "[ . 1 . ]" 1
541 1 16 CYS HA 1 19 CYS H 3.400 . 4.800 4.027 3.359 4.788 . 0 0 "[ . 1 . ]" 1
542 1 19 CYS H 1 19 CYS HA 2.300 . 3.000 2.943 2.936 2.946 . 0 0 "[ . 1 . ]" 1
543 1 18 ASN HA 1 19 CYS H 3.000 . 4.100 3.061 2.991 3.144 . 0 0 "[ . 1 . ]" 1
544 1 19 CYS H 1 20 ILE HA 3.300 . 4.700 4.569 4.525 4.608 . 0 0 "[ . 1 . ]" 1
545 1 19 CYS H 1 19 CYS HB3 2.500 . 3.300 3.388 2.821 3.785 0.485 16 0 "[ . 1 . ]" 1
546 1 18 ASN QB 1 19 CYS H 3.200 . 4.500 3.757 3.641 4.013 . 0 0 "[ . 1 . ]" 1
547 1 16 CYS QB 1 19 CYS H 3.000 . 4.100 3.072 2.826 3.474 . 0 0 "[ . 1 . ]" 1
548 1 19 CYS H 1 20 ILE HB 3.100 . 4.300 4.210 4.153 4.288 . 0 0 "[ . 1 . ]" 1
549 1 11 LEU QD 1 19 CYS H 3.300 . 4.700 4.218 3.877 4.633 . 0 0 "[ . 1 . ]" 1
550 1 30 SER H 1 30 SER HA 2.500 . 3.300 2.944 2.935 2.946 . 0 0 "[ . 1 . ]" 1
551 1 30 SER H 1 30 SER HB2 2.900 . 4.000 3.199 2.754 3.674 . 0 0 "[ . 1 . ]" 1
552 1 30 SER H 1 30 SER HB3 2.900 . 4.000 3.552 2.449 3.835 . 0 0 "[ . 1 . ]" 1
553 1 29 GLN HG3 1 30 SER H 3.300 . 4.700 2.613 1.977 3.666 . 0 0 "[ . 1 . ]" 1
554 1 29 GLN QB 1 30 SER H 3.000 . 4.100 3.507 2.878 3.750 . 0 0 "[ . 1 . ]" 1
555 1 28 LEU QD 1 30 SER H 3.100 . 4.300 4.214 3.974 4.308 0.008 17 0 "[ . 1 . ]" 1
556 1 7 LEU HG 1 30 SER H 3.200 . 4.500 3.777 3.540 4.591 0.091 6 0 "[ . 1 . ]" 1
557 1 7 LEU QD 1 30 SER H 3.500 . 5.000 3.559 2.278 3.970 . 0 0 "[ . 1 . ]" 1
558 1 4 ASP HA 1 6 SER H 3.100 . 4.300 3.560 3.183 4.298 . 0 0 "[ . 1 . ]" 1
559 1 6 SER H 1 6 SER HB2 3.300 . 4.700 2.636 2.081 3.632 . 0 0 "[ . 1 . ]" 1
560 1 4 ASP QB 1 6 SER H 3.400 . 4.800 4.230 3.690 4.818 0.018 9 0 "[ . 1 . ]" 1
561 1 5 PRO QB 1 6 SER H 3.500 . 5.000 3.283 2.636 4.004 . 0 0 "[ . 1 . ]" 1
562 1 16 CYS H 1 16 CYS HA 2.600 . 3.400 2.945 2.938 2.950 . 0 0 "[ . 1 . ]" 1
563 1 15 GLY HA2 1 16 CYS H 2.700 . 3.600 3.128 3.055 3.203 . 0 0 "[ . 1 . ]" 1
564 1 16 CYS H 1 17 PRO HA 3.600 . 5.200 4.577 4.430 4.708 . 0 0 "[ . 1 . ]" 1
565 1 15 GLY HA3 1 16 CYS H 2.700 . 3.600 3.419 3.391 3.446 . 0 0 "[ . 1 . ]" 1
566 1 16 CYS H 1 17 PRO HD2 2.700 . 4.500 4.179 3.797 4.539 0.039 17 0 "[ . 1 . ]" 1
567 1 16 CYS H 1 17 PRO HD3 2.700 . 3.600 3.125 2.766 3.347 . 0 0 "[ . 1 . ]" 1
568 1 16 CYS H 1 16 CYS QB 2.700 . 3.600 2.733 2.332 3.217 . 0 0 "[ . 1 . ]" 1
569 1 14 LEU HB2 1 16 CYS H 2.900 . 4.500 4.293 4.141 4.648 0.148 4 0 "[ . 1 . ]" 1
570 1 14 LEU HB3 1 16 CYS H 2.700 . 3.600 3.425 2.953 3.603 0.003 13 0 "[ . 1 . ]" 1
571 1 12 THR MG 1 16 CYS H 3.300 . 4.700 3.729 3.424 4.050 . 0 0 "[ . 1 . ]" 1
572 1 14 LEU QD 1 16 CYS H 3.300 . 4.700 4.658 2.898 4.823 0.123 13 0 "[ . 1 . ]" 1
573 1 36 ASN H 1 36 ASN QD 3.300 . 4.700 2.951 2.164 3.586 . 0 0 "[ . 1 . ]" 1
574 1 36 ASN HA 1 36 ASN QD 3.200 . 4.500 3.512 3.398 3.604 . 0 0 "[ . 1 . ]" 1
575 1 26 GLN HA 1 26 GLN HE21 3.400 . 4.800 4.735 3.874 4.849 0.049 2 0 "[ . 1 . ]" 1
576 1 23 PHE HA 1 26 GLN HE21 3.500 . 5.000 4.232 3.724 5.012 0.012 2 0 "[ . 1 . ]" 1
577 1 26 GLN HE21 1 45 LEU HA 3.400 . 4.800 3.794 2.891 4.504 . 0 0 "[ . 1 . ]" 1
578 1 25 SER HB3 1 26 GLN HE21 3.500 . 5.000 3.876 2.531 5.463 0.463 2 0 "[ . 1 . ]" 1
579 1 36 ASN QB 1 36 ASN QD 2.600 . 3.300 2.135 2.075 2.210 . 0 0 "[ . 1 . ]" 1
580 1 26 GLN HE21 1 26 GLN HG2 2.700 . 3.600 2.484 2.289 3.511 . 0 0 "[ . 1 . ]" 1
581 1 26 GLN HE21 1 26 GLN HG3 2.700 . 3.600 2.678 2.148 2.839 . 0 0 "[ . 1 . ]" 1
582 1 35 GLN HB2 1 36 ASN QD 3.400 . 4.800 3.896 2.365 4.620 . 0 0 "[ . 1 . ]" 1
583 1 26 GLN QB 1 26 GLN HE21 3.200 . 4.500 3.885 2.192 4.022 . 0 0 "[ . 1 . ]" 1
584 1 26 GLN HE21 1 45 LEU HG 3.000 . 4.100 3.079 2.409 4.133 0.033 17 0 "[ . 1 . ]" 1
585 1 26 GLN HA 1 26 GLN HE22 3.400 . 4.800 4.735 4.594 4.820 0.020 15 0 "[ . 1 . ]" 1
586 1 26 GLN HE22 1 45 LEU HA 3.200 . 4.500 4.044 3.696 4.540 0.040 17 0 "[ . 1 . ]" 1
587 1 26 GLN HE22 1 26 GLN HG2 2.800 . 3.800 3.586 3.504 4.029 0.229 17 0 "[ . 1 . ]" 1
588 1 26 GLN HE22 1 26 GLN HG3 2.800 . 3.800 3.665 3.443 3.741 . 0 0 "[ . 1 . ]" 1
589 1 26 GLN QB 1 26 GLN HE22 3.300 . 4.700 4.304 3.541 4.420 . 0 0 "[ . 1 . ]" 1
590 1 26 GLN HE22 1 45 LEU HB3 3.500 . 5.000 4.418 4.001 4.796 . 0 0 "[ . 1 . ]" 1
591 1 26 GLN HE22 1 45 LEU HG 3.000 . 4.100 4.099 3.724 4.403 0.303 17 0 "[ . 1 . ]" 1
592 1 35 GLN QG 1 36 ASN QD 3.300 . 4.700 3.501 2.962 3.991 . 0 0 "[ . 1 . ]" 1
593 1 38 THR H 1 39 ILE H 3.500 . 5.000 4.421 4.393 4.489 . 0 0 "[ . 1 . ]" 1
594 1 37 LEU HA 1 38 THR H 2.300 . 3.000 2.242 2.116 2.338 . 0 0 "[ . 1 . ]" 1
595 1 38 THR H 1 41 ASP HB2 2.700 . 3.600 2.228 2.002 2.649 . 0 0 "[ . 1 . ]" 1
596 1 38 THR H 1 41 ASP HB3 2.800 . 3.800 3.652 3.238 3.813 0.013 8 0 "[ . 1 . ]" 1
597 1 37 LEU HB2 1 38 THR H 2.800 . 4.500 4.247 4.033 4.509 0.009 14 0 "[ . 1 . ]" 1
598 1 37 LEU HB3 1 38 THR H 2.900 . 4.000 3.365 3.066 3.998 . 0 0 "[ . 1 . ]" 1
599 1 38 THR H 1 38 THR MG 2.400 . 4.500 3.860 3.704 3.925 . 0 0 "[ . 1 . ]" 1
600 1 37 LEU QD 1 38 THR H 2.500 . 3.300 2.361 1.801 2.957 . 0 0 "[ . 1 . ]" 1
601 1 24 THR H 1 26 GLN H 3.200 . 4.500 4.331 4.181 4.506 0.006 18 0 "[ . 1 . ]" 1
602 1 21 GLU HA 1 24 THR H 2.800 . 3.800 3.609 3.064 3.833 0.033 2 0 "[ . 1 . ]" 1
603 1 23 PHE HA 1 24 THR H 3.000 . 4.100 3.546 3.487 3.571 . 0 0 "[ . 1 . ]" 1
604 1 24 THR H 1 24 THR HA 2.800 . 3.800 2.790 2.739 2.848 . 0 0 "[ . 1 . ]" 1
605 1 23 PHE HB3 1 24 THR H 2.800 . 3.800 3.198 2.793 3.599 . 0 0 "[ . 1 . ]" 1
606 1 23 PHE HB2 1 24 THR H 2.700 . 3.600 2.765 2.479 3.213 . 0 0 "[ . 1 . ]" 1
607 1 24 THR H 1 24 THR MG 2.300 . 3.000 2.303 1.992 2.656 . 0 0 "[ . 1 . ]" 1
608 1 19 CYS HA 1 23 PHE H 3.200 . 4.500 4.459 4.243 4.548 0.048 15 0 "[ . 1 . ]" 1
609 1 23 PHE H 1 23 PHE HA 2.800 . 3.800 2.863 2.819 2.911 . 0 0 "[ . 1 . ]" 1
610 1 22 TYR HA 1 23 PHE H 3.100 . 4.300 3.487 3.454 3.523 . 0 0 "[ . 1 . ]" 1
611 1 23 PHE H 1 23 PHE HB3 2.700 . 3.600 3.469 3.337 3.531 . 0 0 "[ . 1 . ]" 1
612 1 23 PHE H 1 23 PHE HB2 2.700 . 3.600 2.187 2.092 2.251 . 0 0 "[ . 1 . ]" 1
613 1 22 TYR HB2 1 23 PHE H 3.100 . 4.300 2.827 2.648 3.007 . 0 0 "[ . 1 . ]" 1
614 1 22 TYR HB3 1 23 PHE H 2.900 . 4.000 3.926 3.724 4.169 0.169 8 0 "[ . 1 . ]" 1
615 1 23 PHE H 1 47 ILE MD 3.400 . 4.800 3.400 2.855 4.217 . 0 0 "[ . 1 . ]" 1
616 1 18 ASN QB 1 18 ASN HD22 2.700 . 3.600 3.266 3.213 3.396 . 0 0 "[ . 1 . ]" 1
617 1 18 ASN QB 1 18 ASN HD21 2.900 . 4.000 2.199 2.088 2.524 . 0 0 "[ . 1 . ]" 1
618 1 64 GLN HE22 1 64 GLN QG 2.700 . 3.600 3.258 3.216 3.395 . 0 0 "[ . 1 . ]" 1
619 1 64 GLN HE21 1 64 GLN QG 2.900 . 4.000 2.221 2.093 2.514 . 0 0 "[ . 1 . ]" 1
620 1 13 GLY H 1 15 GLY H 3.300 . 4.700 4.229 4.149 4.318 . 0 0 "[ . 1 . ]" 1
621 1 12 THR HA 1 13 GLY H 2.700 . 3.600 3.556 3.531 3.573 . 0 0 "[ . 1 . ]" 1
622 1 13 GLY H 1 13 GLY HA2 2.300 . 3.000 2.767 2.748 2.820 . 0 0 "[ . 1 . ]" 1
623 1 13 GLY H 1 14 LEU HB2 3.500 . 5.000 4.593 4.483 5.007 0.007 11 0 "[ . 1 . ]" 1
624 1 13 GLY H 1 13 GLY HA3 2.300 . 3.000 2.300 2.297 2.308 . 0 0 "[ . 1 . ]" 1
625 1 48 PRO HB2 1 50 GLN HE21 3.400 . 4.800 3.540 2.609 4.860 0.060 17 0 "[ . 1 . ]" 1
626 1 50 GLN HE21 1 50 GLN HG2 2.400 . 3.100 2.404 2.164 3.026 . 0 0 "[ . 1 . ]" 1
627 1 50 GLN HE21 1 50 GLN HG3 2.500 . 3.300 2.766 2.156 3.014 . 0 0 "[ . 1 . ]" 1
628 1 48 PRO HB2 1 50 GLN HE22 3.300 . 4.700 4.088 2.911 4.662 . 0 0 "[ . 1 . ]" 1
629 1 50 GLN HE22 1 50 GLN HG2 2.600 . 3.400 3.551 3.445 3.825 0.425 11 0 "[ . 1 . ]" 1
630 1 50 GLN HE22 1 50 GLN HG3 2.800 . 3.800 3.710 3.442 3.818 0.018 8 0 "[ . 1 . ]" 1
631 1 43 GLY HA3 1 46 LYS H 3.500 . 5.000 4.640 4.335 4.862 . 0 0 "[ . 1 . ]" 1
632 1 46 LYS H 1 46 LYS HA 2.200 . 2.800 2.287 2.258 2.302 . 0 0 "[ . 1 . ]" 1
633 1 46 LYS H 1 46 LYS HB2 2.900 . 4.000 3.704 3.347 3.996 . 0 0 "[ . 1 . ]" 1
634 1 43 GLY HA2 1 46 LYS H 3.500 . 5.000 3.598 3.418 3.830 . 0 0 "[ . 1 . ]" 1
635 1 46 LYS H 1 46 LYS HB3 2.700 . 4.500 3.773 3.042 4.048 . 0 0 "[ . 1 . ]" 1
636 1 46 LYS H 1 47 ILE QG 3.200 . 4.500 3.514 3.377 3.846 . 0 0 "[ . 1 . ]" 1
637 1 45 LEU QD 1 46 LYS H 3.500 . 5.000 3.845 3.774 4.213 . 0 0 "[ . 1 . ]" 1
638 1 29 GLN QB 1 29 GLN HE22 3.400 . 4.800 3.731 3.303 4.154 . 0 0 "[ . 1 . ]" 1
639 1 29 GLN HE22 1 29 GLN HG2 2.700 . 3.600 3.731 3.439 4.096 0.496 18 0 "[ . 1 . ]" 1
640 1 29 GLN HE22 1 29 GLN HG3 2.900 . 4.000 3.745 3.437 4.098 0.098 3 0 "[ . 1 . ]" 1
641 1 29 GLN HE21 1 29 GLN HG2 3.000 . 4.100 2.784 2.119 3.548 . 0 0 "[ . 1 . ]" 1
642 1 29 GLN HE21 1 29 GLN HG3 3.100 . 4.300 2.808 2.118 3.551 . 0 0 "[ . 1 . ]" 1
643 1 29 GLN QB 1 29 GLN HE21 3.500 . 5.000 3.074 2.102 3.939 . 0 0 "[ . 1 . ]" 1
644 1 35 GLN HE21 1 63 LYS QE 3.400 . 4.800 4.289 3.210 4.810 0.010 7 0 "[ . 1 . ]" 1
645 1 35 GLN HE21 1 35 GLN QG 2.300 . 3.000 2.246 2.073 2.490 . 0 0 "[ . 1 . ]" 1
646 1 35 GLN HE21 1 62 LEU HB3 3.400 . 4.800 3.118 2.413 4.887 0.087 5 0 "[ . 1 . ]" 1
647 1 35 GLN HE21 1 62 LEU HB2 3.400 . 4.800 3.585 2.763 4.243 . 0 0 "[ . 1 . ]" 1
648 1 35 GLN HE21 1 62 LEU QD 3.300 . 4.700 3.421 1.879 4.267 0.021 5 0 "[ . 1 . ]" 1
649 1 31 ILE MG 1 35 GLN HE21 3.400 . 4.800 4.291 2.789 5.685 0.885 14 2 "[ . 1 -+. ]" 1
650 1 35 GLN HE22 1 35 GLN QG 2.600 . 3.400 3.291 3.188 3.387 . 0 0 "[ . 1 . ]" 1
651 1 35 GLN HE22 1 62 LEU HB3 3.500 . 5.000 3.539 3.020 4.608 . 0 0 "[ . 1 . ]" 1
652 1 35 GLN HE22 1 62 LEU QD 3.500 . 5.000 3.851 2.219 4.643 . 0 0 "[ . 1 . ]" 1
653 1 65 GLY H 1 66 HIS HA 3.500 . 5.000 4.809 4.343 5.018 0.018 11 0 "[ . 1 . ]" 1
654 1 64 GLN H 1 65 GLY H 2.700 . 3.600 2.878 1.957 3.751 0.151 12 0 "[ . 1 . ]" 1
655 1 64 GLN HA 1 65 GLY H 2.400 . 4.500 3.373 2.044 3.575 . 0 0 "[ . 1 . ]" 1
656 1 65 GLY H 1 65 GLY QA 2.100 . 2.700 2.375 2.237 2.496 . 0 0 "[ . 1 . ]" 1
657 1 64 GLN QG 1 65 GLY H 3.100 . 4.300 3.628 1.985 4.510 0.210 3 0 "[ . 1 . ]" 1
658 1 64 GLN HB2 1 65 GLY H 3.000 . 4.100 3.048 1.947 4.313 0.213 12 0 "[ . 1 . ]" 1
659 1 64 GLN HB3 1 65 GLY H 3.000 . 4.100 3.332 1.998 4.229 0.129 9 0 "[ . 1 . ]" 1
660 1 58 GLY H 1 59 LEU H 2.600 . 3.400 2.552 2.382 2.821 . 0 0 "[ . 1 . ]" 1
661 1 58 GLY H 1 58 GLY HA2 2.500 . 3.300 2.843 2.769 2.887 . 0 0 "[ . 1 . ]" 1
662 1 58 GLY H 1 58 GLY HA3 2.400 . 3.100 2.308 2.291 2.322 . 0 0 "[ . 1 . ]" 1
663 1 58 GLY H 1 59 LEU HB2 3.500 . 5.000 4.363 4.142 4.659 . 0 0 "[ . 1 . ]" 1
664 1 14 LEU QD 1 58 GLY H 2.900 . 4.000 2.744 2.085 2.932 . 0 0 "[ . 1 . ]" 1
665 1 57 ARG H 1 58 GLY H 2.700 . 3.600 2.850 2.668 3.052 . 0 0 "[ . 1 . ]" 1
666 1 56 TRP H 1 58 GLY H 3.500 . 5.000 4.200 3.901 4.633 . 0 0 "[ . 1 . ]" 1
667 1 56 TRP HA 1 58 GLY H 3.400 . 4.800 4.371 4.051 4.817 0.017 4 0 "[ . 1 . ]" 1
668 1 58 GLY H 1 61 ASP QB 3.400 . 4.800 4.832 4.805 4.919 0.119 7 0 "[ . 1 . ]" 1
669 1 57 ARG HG2 1 58 GLY H 2.500 . 4.500 4.014 3.046 4.319 . 0 0 "[ . 1 . ]" 1
670 1 57 ARG HG3 1 58 GLY H 3.100 . 4.300 3.638 2.112 4.474 0.174 17 0 "[ . 1 . ]" 1
671 1 54 THR MG 1 58 GLY H 3.200 . 4.500 4.226 3.970 4.433 . 0 0 "[ . 1 . ]" 1
672 1 14 LEU HG 1 58 GLY H 2.900 . 4.000 4.007 3.951 4.028 0.028 15 0 "[ . 1 . ]" 1
673 1 25 SER H 1 27 GLY H 3.500 . 5.000 4.357 3.962 4.674 . 0 0 "[ . 1 . ]" 1
674 1 26 GLN HA 1 27 GLY H 2.900 . 4.000 3.534 3.431 3.573 . 0 0 "[ . 1 . ]" 1
675 1 27 GLY H 1 27 GLY HA2 2.500 . 3.300 2.636 2.468 2.754 . 0 0 "[ . 1 . ]" 1
676 1 27 GLY H 1 27 GLY HA3 2.600 . 3.400 2.917 2.858 2.956 . 0 0 "[ . 1 . ]" 1
677 1 26 GLN HG2 1 27 GLY H 3.200 . 4.500 3.492 3.094 3.753 . 0 0 "[ . 1 . ]" 1
678 1 26 GLN HG3 1 27 GLY H 3.400 . 4.800 4.418 4.131 4.759 . 0 0 "[ . 1 . ]" 1
679 1 26 GLN QB 1 27 GLY H 3.200 . 4.500 2.558 2.189 3.563 . 0 0 "[ . 1 . ]" 1
680 1 27 GLY H 1 28 LEU MD2 3.400 . 4.800 3.634 3.169 4.127 . 0 0 "[ . 1 . ]" 1
681 1 15 GLY H 1 16 CYS HA 3.300 . 4.700 4.678 4.588 4.701 0.001 5 0 "[ . 1 . ]" 1
682 1 15 GLY H 1 15 GLY HA2 2.400 . 3.100 2.466 2.444 2.503 . 0 0 "[ . 1 . ]" 1
683 1 15 GLY H 1 15 GLY HA3 2.300 . 3.000 2.951 2.947 2.953 . 0 0 "[ . 1 . ]" 1
684 1 15 GLY H 1 17 PRO HD3 3.200 . 4.500 4.019 3.722 4.470 . 0 0 "[ . 1 . ]" 1
685 1 15 GLY H 1 16 CYS QB 3.500 . 5.000 4.340 3.959 4.780 . 0 0 "[ . 1 . ]" 1
686 1 14 LEU HB2 1 15 GLY H 3.000 . 4.100 3.727 3.591 4.022 . 0 0 "[ . 1 . ]" 1
687 1 14 LEU HB3 1 15 GLY H 2.800 . 3.800 3.224 2.898 3.398 . 0 0 "[ . 1 . ]" 1
688 1 12 THR MG 1 15 GLY H 3.100 . 4.300 4.080 3.820 4.270 . 0 0 "[ . 1 . ]" 1
689 1 14 LEU QD 1 15 GLY H 3.400 . 4.800 4.172 3.360 4.294 . 0 0 "[ . 1 . ]" 1
690 1 43 GLY H 1 45 LEU H 3.300 . 4.700 4.485 4.268 4.623 . 0 0 "[ . 1 . ]" 1
691 1 43 GLY H 1 43 GLY HA3 2.400 . 3.100 2.301 2.294 2.322 . 0 0 "[ . 1 . ]" 1
692 1 43 GLY H 1 43 GLY HA2 2.500 . 3.300 2.837 2.782 2.889 . 0 0 "[ . 1 . ]" 1
693 1 42 LEU QB 1 43 GLY H 2.800 . 3.800 2.349 2.096 2.621 . 0 0 "[ . 1 . ]" 1
694 1 39 ILE HG12 1 43 GLY H 3.500 . 5.000 4.646 4.288 4.868 . 0 0 "[ . 1 . ]" 1
695 1 39 ILE HA 1 43 GLY H 3.500 . 5.000 3.817 3.536 4.064 . 0 0 "[ . 1 . ]" 1
696 1 43 GLY H 1 44 ALA MB 2.900 . 4.500 4.223 4.060 4.365 . 0 0 "[ . 1 . ]" 1
697 1 42 LEU QD 1 43 GLY H 3.100 . 4.300 3.914 3.841 3.955 . 0 0 "[ . 1 . ]" 1
698 1 42 LEU H 1 43 GLY H 2.700 . 3.600 2.848 2.489 3.030 . 0 0 "[ . 1 . ]" 1
699 1 43 GLY H 1 52 ARG QD 3.300 . 4.700 3.622 2.904 4.237 . 0 0 "[ . 1 . ]" 1
700 1 37 LEU QD 1 43 GLY H 3.600 . 5.200 5.162 5.065 5.259 0.059 10 0 "[ . 1 . ]" 1
701 1 13 GLY QA 1 14 LEU H 1.800 . 4.000 2.802 2.770 2.839 . 0 0 "[ . 1 . ]" 1
702 1 13 GLY H 1 14 LEU H 1.800 . 3.000 2.768 2.572 2.825 . 0 0 "[ . 1 . ]" 1
703 1 14 LEU QB 1 15 GLY H 1.800 . 4.000 3.033 2.831 3.154 . 0 0 "[ . 1 . ]" 1
704 1 14 LEU MD2 1 15 GLY H 1.800 . 7.206 4.960 3.413 5.153 . 0 0 "[ . 1 . ]" 1
705 1 14 LEU HG 1 15 GLY H 1.800 . 6.000 5.019 4.279 5.353 . 0 0 "[ . 1 . ]" 1
706 1 14 LEU H 1 15 GLY H 1.800 . 3.000 2.671 2.632 2.735 . 0 0 "[ . 1 . ]" 1
707 1 14 LEU QB 1 16 CYS H 1.800 . 4.000 3.288 2.920 3.415 . 0 0 "[ . 1 . ]" 1
708 1 14 LEU MD2 1 16 CYS H 1.800 . 7.206 5.127 2.914 5.630 . 0 0 "[ . 1 . ]" 1
709 1 14 LEU HG 1 16 CYS H 1.800 . 6.000 5.567 4.457 5.807 . 0 0 "[ . 1 . ]" 1
710 1 15 GLY QA 1 16 CYS H 1.800 . 4.000 2.896 2.860 2.932 . 0 0 "[ . 1 . ]" 1
711 1 15 GLY H 1 16 CYS H 1.800 . 3.000 1.934 1.878 1.955 . 0 0 "[ . 1 . ]" 1
712 1 16 CYS H 1 17 PRO QD 1.800 . 4.000 3.038 2.733 3.249 . 0 0 "[ . 1 . ]" 1
713 1 16 CYS H 1 17 PRO QG 1.800 . 6.735 4.781 3.882 5.082 . 0 0 "[ . 1 . ]" 1
714 1 19 CYS QB 1 20 ILE H 1.800 . 6.000 3.017 2.783 3.590 . 0 0 "[ . 1 . ]" 1
715 1 19 CYS H 1 20 ILE H 1.800 . 3.000 1.936 1.919 1.959 . 0 0 "[ . 1 . ]" 1
716 1 19 CYS H 1 22 TYR H 1.800 . 6.000 5.152 5.017 5.314 . 0 0 "[ . 1 . ]" 1
717 1 21 GLU QB 1 22 TYR H 1.800 . 4.000 2.808 2.389 3.346 . 0 0 "[ . 1 . ]" 1
718 1 21 GLU QG 1 22 TYR H 1.800 . 6.000 3.071 1.913 3.996 . 0 0 "[ . 1 . ]" 1
719 1 22 TYR H 1 22 TYR QE 1.800 . 4.000 4.012 3.979 4.062 0.062 15 0 "[ . 1 . ]" 1
720 1 20 ILE H 1 23 PHE H 1.800 . 6.000 4.664 4.549 4.778 . 0 0 "[ . 1 . ]" 1
721 1 22 TYR QB 1 23 PHE H 1.800 . 5.022 2.766 2.595 2.938 . 0 0 "[ . 1 . ]" 1
722 1 22 TYR H 1 23 PHE H 1.800 . 3.000 2.453 2.339 2.523 . 0 0 "[ . 1 . ]" 1
723 1 23 PHE QB 1 24 THR H 1.800 . 4.000 2.599 2.381 2.924 . 0 0 "[ . 1 . ]" 1
724 1 23 PHE H 1 24 THR H 1.800 . 3.000 2.533 2.260 2.774 . 0 0 "[ . 1 . ]" 1
725 1 26 GLN QG 1 27 GLY H 1.800 . 6.000 3.363 3.051 3.621 . 0 0 "[ . 1 . ]" 1
726 1 26 GLN H 1 27 GLY H 1.800 . 3.000 2.239 1.982 2.418 . 0 0 "[ . 1 . ]" 1
727 1 23 PHE H 1 28 LEU MD2 1.800 . 7.206 6.116 5.888 6.250 . 0 0 "[ . 1 . ]" 1
728 1 23 PHE H 1 28 LEU HG 1.800 . 6.000 5.549 5.254 5.725 . 0 0 "[ . 1 . ]" 1
729 1 26 GLN HA 1 28 LEU H 1.800 . 6.000 5.521 5.392 5.707 . 0 0 "[ . 1 . ]" 1
730 1 27 GLY QA 1 28 LEU H 1.800 . 4.000 2.659 2.566 2.731 . 0 0 "[ . 1 . ]" 1
731 1 27 GLY H 1 29 GLN H 1.800 . 6.000 4.646 4.554 4.754 . 0 0 "[ . 1 . ]" 1
732 1 28 LEU QB 1 29 GLN H 1.800 . 6.000 3.840 3.825 3.868 . 0 0 "[ . 1 . ]" 1
733 1 28 LEU MD2 1 29 GLN H 1.800 . 7.206 4.273 4.200 4.396 . 0 0 "[ . 1 . ]" 1
734 1 27 GLY QA 1 30 SER H 1.800 . 4.490 4.509 4.408 4.583 0.093 6 0 "[ . 1 . ]" 1
735 1 28 LEU QB 1 30 SER H 1.800 . 6.000 5.079 4.868 5.168 . 0 0 "[ . 1 . ]" 1
736 1 28 LEU MD2 1 30 SER H 1.800 . 7.206 4.882 4.681 5.021 . 0 0 "[ . 1 . ]" 1
737 1 29 GLN HA 1 30 SER H 1.800 . 4.000 3.458 3.386 3.472 . 0 0 "[ . 1 . ]" 1
738 1 29 GLN QG 1 30 SER H 1.800 . 4.000 2.349 1.968 3.512 . 0 0 "[ . 1 . ]" 1
739 1 29 GLN H 1 30 SER H 1.800 . 3.000 2.043 1.950 2.073 . 0 0 "[ . 1 . ]" 1
740 1 30 SER QB 1 31 ILE H 1.800 . 6.000 3.546 3.413 3.928 . 0 0 "[ . 1 . ]" 1
741 1 30 SER H 1 31 ILE H 1.800 . 6.000 4.159 3.962 4.235 . 0 0 "[ . 1 . ]" 1
742 1 30 SER QB 1 32 TYR H 1.800 . 5.022 2.948 2.661 3.736 . 0 0 "[ . 1 . ]" 1
743 1 31 ILE MD 1 32 TYR H 1.800 . 7.206 5.120 5.030 5.147 . 0 0 "[ . 1 . ]" 1
744 1 31 ILE HB 1 33 HIS H 1.800 . 6.000 5.419 5.382 5.477 . 0 0 "[ . 1 . ]" 1
745 1 31 ILE H 1 33 HIS H 1.800 . 6.000 4.265 4.233 4.304 . 0 0 "[ . 1 . ]" 1
746 1 32 TYR QB 1 33 HIS H 1.800 . 4.000 3.022 2.957 3.085 . 0 0 "[ . 1 . ]" 1
747 1 33 HIS H 1 34 LEU MD1 1.800 . 7.206 4.962 4.850 4.999 . 0 0 "[ . 1 . ]" 1
748 1 31 ILE MG 1 35 GLN QE 1.800 . 8.653 3.653 2.748 4.554 . 0 0 "[ . 1 . ]" 1
749 1 34 LEU QB 1 35 GLN H 1.800 . 6.000 3.897 3.774 3.944 . 0 0 "[ . 1 . ]" 1
750 1 34 LEU MD2 1 35 GLN H 1.800 . 4.804 3.998 3.647 4.196 . 0 0 "[ . 1 . ]" 1
751 1 34 LEU H 1 35 GLN H 1.800 . 3.000 2.393 2.086 2.643 . 0 0 "[ . 1 . ]" 1
752 1 34 LEU HG 1 36 ASN H 1.800 . 6.000 5.659 5.484 5.844 . 0 0 "[ . 1 . ]" 1
753 1 35 GLN QB 1 36 ASN H 1.800 . 4.000 2.804 2.509 3.078 . 0 0 "[ . 1 . ]" 1
754 1 34 LEU QB 1 37 LEU H 1.800 . 6.000 3.903 3.632 4.235 . 0 0 "[ . 1 . ]" 1
755 1 34 LEU MD2 1 37 LEU H 1.800 . 7.206 5.643 5.417 5.856 . 0 0 "[ . 1 . ]" 1
756 1 36 ASN H 1 38 THR H 1.800 . 7.206 6.507 6.163 6.796 . 0 0 "[ . 1 . ]" 1
757 1 37 LEU QB 1 38 THR H 1.800 . 4.000 3.234 2.991 3.656 . 0 0 "[ . 1 . ]" 1
758 1 37 LEU HG 1 38 THR H 1.800 . 4.000 3.362 1.992 4.081 0.081 15 0 "[ . 1 . ]" 1
759 1 37 LEU H 1 38 THR H 1.800 . 6.000 4.595 4.427 4.648 . 0 0 "[ . 1 . ]" 1
760 1 39 ILE QG 1 40 GLU H 1.800 . 7.206 3.847 3.736 4.011 . 0 0 "[ . 1 . ]" 1
761 1 38 THR H 1 41 ASP HA 1.800 . 6.000 5.044 4.835 5.433 . 0 0 "[ . 1 . ]" 1
762 1 38 THR H 1 41 ASP QB 1.800 . 4.000 2.207 1.984 2.599 . 0 0 "[ . 1 . ]" 1
763 1 40 GLU QB 1 41 ASP H 1.800 . 4.000 2.684 2.319 3.373 . 0 0 "[ . 1 . ]" 1
764 1 40 GLU HG3 1 41 ASP H 1.800 . 6.000 3.744 1.917 4.627 . 0 0 "[ . 1 . ]" 1
765 1 40 GLU QG 1 41 ASP H 1.800 . 5.022 3.350 1.910 3.981 . 0 0 "[ . 1 . ]" 1
766 1 40 GLU H 1 41 ASP H 1.800 . 3.000 2.753 2.653 2.818 . 0 0 "[ . 1 . ]" 1
767 1 39 ILE QG 1 42 LEU H 1.800 . 7.206 4.726 4.336 4.945 . 0 0 "[ . 1 . ]" 1
768 1 41 ASP QB 1 42 LEU H 1.800 . 5.021 2.893 2.775 3.171 . 0 0 "[ . 1 . ]" 1
769 1 42 LEU HG 1 43 GLY H 1.800 . 5.000 4.505 4.274 4.776 . 0 0 "[ . 1 . ]" 1
770 1 43 GLY QA 1 44 ALA H 1.800 . 4.000 2.893 2.844 2.935 . 0 0 "[ . 1 . ]" 1
771 1 43 GLY H 1 44 ALA H 1.800 . 3.000 2.638 2.525 2.748 . 0 0 "[ . 1 . ]" 1
772 1 23 PHE H 1 45 LEU QD 1.800 . 4.804 4.337 3.911 4.602 . 0 0 "[ . 1 . ]" 1
773 1 26 GLN QE 1 45 LEU HA 1.800 . 7.206 3.456 2.834 4.029 . 0 0 "[ . 1 . ]" 1
774 1 26 GLN QE 1 45 LEU QB 1.800 . 7.206 3.203 2.882 3.839 . 0 0 "[ . 1 . ]" 1
775 1 26 GLN QE 1 45 LEU HG 1.800 . 4.804 2.980 2.394 3.789 . 0 0 "[ . 1 . ]" 1
776 1 44 ALA H 1 45 LEU H 1.800 . 3.000 2.531 2.249 2.728 . 0 0 "[ . 1 . ]" 1
777 1 45 LEU HA 1 46 LYS H 1.800 . 4.000 3.424 3.315 3.453 . 0 0 "[ . 1 . ]" 1
778 1 45 LEU HG 1 46 LYS H 1.800 . 6.000 5.212 5.008 5.340 . 0 0 "[ . 1 . ]" 1
779 1 45 LEU H 1 46 LYS H 1.800 . 3.000 2.734 2.650 2.835 . 0 0 "[ . 1 . ]" 1
780 1 22 TYR H 1 47 ILE MD 1.800 . 4.804 4.217 3.927 4.399 . 0 0 "[ . 1 . ]" 1
781 1 43 GLY QA 1 47 ILE H 1.800 . 6.000 3.867 3.525 4.122 . 0 0 "[ . 1 . ]" 1
782 1 45 LEU HG 1 47 ILE H 1.800 . 6.000 5.502 5.207 5.694 . 0 0 "[ . 1 . ]" 1
783 1 46 LYS HA 1 47 ILE H 1.800 . 3.000 3.020 2.855 3.072 0.072 17 0 "[ . 1 . ]" 1
784 1 46 LYS QG 1 47 ILE H 1.800 . 4.000 4.109 3.590 4.264 0.264 5 0 "[ . 1 . ]" 1
785 1 46 LYS H 1 47 ILE H 1.800 . 3.000 2.377 2.243 2.772 . 0 0 "[ . 1 . ]" 1
786 1 48 PRO HA 1 49 GLU H 1.800 . 3.000 2.226 2.150 2.487 . 0 0 "[ . 1 . ]" 1
787 1 48 PRO QB 1 49 GLU H 1.800 . 6.000 3.077 2.433 3.573 . 0 0 "[ . 1 . ]" 1
788 1 49 GLU QB 1 50 GLN H 1.800 . 4.490 3.980 3.735 4.063 . 0 0 "[ . 1 . ]" 1
789 1 49 GLU QG 1 50 GLN H 1.800 . 6.735 4.017 3.414 4.571 . 0 0 "[ . 1 . ]" 1
790 1 19 CYS H 1 51 TYR QE 1.800 . 6.000 5.640 4.807 6.008 0.008 17 0 "[ . 1 . ]" 1
791 1 50 GLN QG 1 51 TYR H 1.800 . 4.490 3.805 3.426 4.216 . 0 0 "[ . 1 . ]" 1
792 1 51 TYR QB 1 52 ARG H 1.800 . 6.000 3.825 3.627 3.980 . 0 0 "[ . 1 . ]" 1
793 1 51 TYR QD 1 52 ARG H 1.800 . 6.000 4.688 3.538 4.879 . 0 0 "[ . 1 . ]" 1
794 1 49 GLU HA 1 53 MET H 1.800 . 6.000 5.112 4.399 5.687 . 0 0 "[ . 1 . ]" 1
795 1 52 ARG QB 1 53 MET H 1.800 . 4.000 2.321 1.990 2.856 . 0 0 "[ . 1 . ]" 1
796 1 53 MET QB 1 54 THR H 1.800 . 3.367 2.727 2.205 3.345 . 0 0 "[ . 1 . ]" 1
797 1 53 MET H 1 54 THR H 1.800 . 3.000 2.764 2.542 2.896 . 0 0 "[ . 1 . ]" 1
798 1 38 THR HA 1 56 TRP HE1 1.800 . 4.000 3.541 3.198 3.616 . 0 0 "[ . 1 . ]" 1
799 1 38 THR MG 1 56 TRP HE1 1.800 . 4.804 1.915 1.810 2.096 . 0 0 "[ . 1 . ]" 1
800 1 39 ILE HA 1 56 TRP HE1 1.800 . 6.000 4.618 4.437 5.129 . 0 0 "[ . 1 . ]" 1
801 1 39 ILE MD 1 56 TRP HE1 1.800 . 5.000 3.413 2.730 5.054 0.054 12 0 "[ . 1 . ]" 1
802 1 39 ILE QG 1 56 TRP HE1 1.800 . 7.206 3.523 3.011 5.742 . 0 0 "[ . 1 . ]" 1
803 1 39 ILE MG 1 56 TRP HE1 1.800 . 5.000 3.124 2.726 3.721 . 0 0 "[ . 1 . ]" 1
804 1 39 ILE H 1 56 TRP HE1 1.800 . 6.000 3.385 3.204 3.509 . 0 0 "[ . 1 . ]" 1
805 1 42 LEU HG 1 56 TRP HE1 1.800 . 6.000 5.318 4.396 5.552 . 0 0 "[ . 1 . ]" 1
806 1 55 ILE HB 1 56 TRP H 1.800 . 3.000 2.444 2.229 2.764 . 0 0 "[ . 1 . ]" 1
807 1 55 ILE QG 1 56 TRP H 1.800 . 6.735 3.200 3.027 3.382 . 0 0 "[ . 1 . ]" 1
808 1 55 ILE MG 1 56 TRP H 1.800 . 4.804 3.385 3.135 3.635 . 0 0 "[ . 1 . ]" 1
809 1 56 TRP H 1 56 TRP HD1 1.800 . 6.000 4.990 4.954 5.138 . 0 0 "[ . 1 . ]" 1
810 1 42 LEU HG 1 57 ARG H 1.800 . 6.000 5.943 5.819 6.014 0.014 17 0 "[ . 1 . ]" 1
811 1 56 TRP QB 1 57 ARG H 1.800 . 4.000 2.437 2.223 2.595 . 0 0 "[ . 1 . ]" 1
812 1 56 TRP HE1 1 57 ARG H 1.800 . 6.000 3.843 3.336 4.445 . 0 0 "[ . 1 . ]" 1
813 1 14 LEU MD2 1 58 GLY H 1.800 . 4.804 2.962 2.375 4.345 . 0 0 "[ . 1 . ]" 1
814 1 57 ARG QD 1 58 GLY H 1.800 . 6.000 4.749 2.644 5.341 . 0 0 "[ . 1 . ]" 1
815 1 14 LEU HG 1 59 LEU H 1.800 . 6.000 5.465 5.047 5.844 . 0 0 "[ . 1 . ]" 1
816 1 58 GLY QA 1 59 LEU H 1.800 . 4.000 2.772 2.694 2.856 . 0 0 "[ . 1 . ]" 1
817 1 56 TRP HE1 1 60 GLN QE 1.800 . 7.206 2.880 2.375 3.212 . 0 0 "[ . 1 . ]" 1
818 1 59 LEU H 1 60 GLN QE 1.800 . 7.206 5.155 4.929 5.414 . 0 0 "[ . 1 . ]" 1
819 1 59 LEU H 1 60 GLN H 1.800 . 3.000 2.483 2.334 2.606 . 0 0 "[ . 1 . ]" 1
820 1 35 GLN QE 1 62 LEU QB 1.800 . 7.206 2.719 2.326 3.132 . 0 0 "[ . 1 . ]" 1
821 1 35 GLN QE 1 62 LEU QD 1.800 . 8.653 3.183 1.783 3.791 0.017 5 0 "[ . 1 . ]" 1
822 1 61 ASP QB 1 62 LEU H 1.800 . 3.367 2.829 2.602 2.942 . 0 0 "[ . 1 . ]" 1
823 1 61 ASP H 1 62 LEU H 1.800 . 3.000 2.560 2.334 2.696 . 0 0 "[ . 1 . ]" 1
824 1 62 LEU H 1 63 LYS H 1.800 . 3.000 2.644 2.399 2.781 . 0 0 "[ . 1 . ]" 1
825 1 63 LYS H 1 64 GLN H 1.800 . 3.000 2.864 2.593 3.013 0.013 17 0 "[ . 1 . ]" 1
826 1 64 GLN QB 1 65 GLY H 1.800 . 4.000 2.748 1.902 3.732 . 0 0 "[ . 1 . ]" 1
827 1 66 HIS HA 1 67 ASP H 1.800 . 3.000 2.298 2.152 2.923 . 0 0 "[ . 1 . ]" 1
828 1 66 HIS QB 1 67 ASP H 1.800 . 6.000 3.281 2.063 3.964 . 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 226
_Distance_constraint_stats_list.Viol_count 407
_Distance_constraint_stats_list.Viol_total 586.761
_Distance_constraint_stats_list.Viol_max 0.581
_Distance_constraint_stats_list.Viol_rms 0.0430
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0801
_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 1 TYR 0.209 0.056 3 0 "[ . 1 . ]"
1 2 HIS 0.209 0.056 3 0 "[ . 1 . ]"
1 3 ALA 0.836 0.581 17 1 "[ . 1 . + ]"
1 4 ASP 0.123 0.106 9 0 "[ . 1 . ]"
1 5 PRO 0.005 0.005 9 0 "[ . 1 . ]"
1 6 SER 0.089 0.034 16 0 "[ . 1 . ]"
1 7 LEU 3.038 0.485 12 0 "[ . 1 . ]"
1 8 VAL 3.746 0.581 17 1 "[ . 1 . + ]"
1 9 SER 0.079 0.052 16 0 "[ . 1 . ]"
1 10 PHE 0.597 0.052 16 0 "[ . 1 . ]"
1 11 LEU 2.547 0.232 16 0 "[ . 1 . ]"
1 12 THR 1.176 0.078 2 0 "[ . 1 . ]"
1 13 GLY 0.494 0.048 15 0 "[ . 1 . ]"
1 14 LEU 1.260 0.170 11 0 "[ . 1 . ]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 16 CYS 0.134 0.067 3 0 "[ . 1 . ]"
1 17 PRO 0.120 0.067 3 0 "[ . 1 . ]"
1 19 CYS 0.014 0.008 15 0 "[ . 1 . ]"
1 20 ILE 0.976 0.091 14 0 "[ . 1 . ]"
1 21 GLU 1.398 0.232 16 0 "[ . 1 . ]"
1 22 TYR 0.086 0.031 17 0 "[ . 1 . ]"
1 23 PHE 1.850 0.232 16 0 "[ . 1 . ]"
1 24 THR 3.685 0.581 17 1 "[ . 1 . + ]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 26 GLN 0.294 0.294 17 0 "[ . 1 . ]"
1 27 GLY 0.036 0.036 17 0 "[ . 1 . ]"
1 28 LEU 7.619 0.485 12 0 "[ . 1 . ]"
1 29 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 31 ILE 1.514 0.179 6 0 "[ . 1 . ]"
1 32 TYR 0.085 0.038 17 0 "[ . 1 . ]"
1 33 HIS 0.142 0.024 10 0 "[ . 1 . ]"
1 34 LEU 3.873 0.372 17 0 "[ . 1 . ]"
1 35 GLN 0.273 0.035 4 0 "[ . 1 . ]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 37 LEU 7.038 0.429 3 0 "[ . 1 . ]"
1 38 THR 1.491 0.370 14 0 "[ . 1 . ]"
1 39 ILE 0.193 0.066 14 0 "[ . 1 . ]"
1 40 GLU 0.014 0.014 17 0 "[ . 1 . ]"
1 41 ASP 0.014 0.014 17 0 "[ . 1 . ]"
1 42 LEU 0.041 0.018 17 0 "[ . 1 . ]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 44 ALA 4.631 0.372 17 0 "[ . 1 . ]"
1 45 LEU 3.999 0.426 13 0 "[ . 1 . ]"
1 46 LYS 2.984 0.426 13 0 "[ . 1 . ]"
1 47 ILE 1.065 0.091 14 0 "[ . 1 . ]"
1 48 PRO 0.069 0.028 2 0 "[ . 1 . ]"
1 49 GLU 0.114 0.034 13 0 "[ . 1 . ]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 51 TYR 0.114 0.034 13 0 "[ . 1 . ]"
1 52 ARG 1.068 0.113 7 0 "[ . 1 . ]"
1 53 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 54 THR 5.629 0.570 6 1 "[ .+ 1 . ]"
1 55 ILE 10.100 0.570 6 1 "[ .+ 1 . ]"
1 56 TRP 0.351 0.073 12 0 "[ . 1 . ]"
1 57 ARG 6.269 0.570 6 1 "[ .+ 1 . ]"
1 58 GLY 0.515 0.061 7 0 "[ . 1 . ]"
1 59 LEU 1.931 0.370 14 0 "[ . 1 . ]"
1 60 GLN 2.230 0.390 5 0 "[ . 1 . ]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 62 LEU 1.072 0.179 6 0 "[ . 1 . ]"
1 63 LYS 0.772 0.390 5 0 "[ . 1 . ]"
1 64 GLN 0.772 0.390 5 0 "[ . 1 . ]"
1 66 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 67 ASP 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 1 TYR HA 1 2 HIS H 2.600 . 3.500 2.642 2.144 3.556 0.056 3 0 "[ . 1 . ]" 2
2 1 3 ALA HA 1 4 ASP H 2.100 . 2.500 2.339 2.138 2.606 0.106 9 0 "[ . 1 . ]" 2
3 1 6 SER HA 1 7 LEU H 3.400 . 5.000 2.865 2.391 3.534 . 0 0 "[ . 1 . ]" 2
4 1 9 SER H 1 10 PHE H 2.600 . 3.500 2.671 2.485 2.833 . 0 0 "[ . 1 . ]" 2
5 1 8 VAL HA 1 9 SER H 3.400 . 5.000 3.537 3.495 3.571 . 0 0 "[ . 1 . ]" 2
6 1 8 VAL H 1 9 SER H 2.600 . 3.500 2.767 2.575 2.996 . 0 0 "[ . 1 . ]" 2
7 1 9 SER HA 1 10 PHE H 2.600 . 3.500 3.473 3.356 3.552 0.052 16 0 "[ . 1 . ]" 2
8 1 10 PHE QB 1 11 LEU H 3.100 . 4.500 2.513 2.243 2.744 . 0 0 "[ . 1 . ]" 2
9 1 11 LEU H 1 12 THR H 2.600 . 3.500 2.918 2.630 3.016 . 0 0 "[ . 1 . ]" 2
10 1 11 LEU HA 1 12 THR H 2.600 . 3.500 3.540 3.466 3.552 0.052 16 0 "[ . 1 . ]" 2
11 1 9 SER HA 1 12 THR H 3.400 . 5.000 4.275 3.838 4.572 . 0 0 "[ . 1 . ]" 2
12 1 12 THR H 1 13 GLY H 2.600 . 3.500 2.570 2.358 2.852 . 0 0 "[ . 1 . ]" 2
13 1 12 THR HB 1 13 GLY H 2.600 . 3.500 2.424 2.100 2.612 . 0 0 "[ . 1 . ]" 2
14 1 10 PHE HA 1 13 GLY H 2.600 . 3.500 3.518 3.352 3.548 0.048 15 0 "[ . 1 . ]" 2
15 1 12 THR MG 1 13 GLY H 2.600 . 3.500 3.414 3.263 3.518 0.018 16 0 "[ . 1 . ]" 2
16 1 58 GLY QA 1 61 ASP QB 3.600 . 5.500 2.531 2.407 2.671 . 0 0 "[ . 1 . ]" 2
17 1 49 GLU HA 1 52 ARG QG 3.100 . 4.500 3.793 3.012 4.300 . 0 0 "[ . 1 . ]" 2
18 1 49 GLU HA 1 52 ARG QB 3.100 . 4.500 2.300 1.927 2.795 . 0 0 "[ . 1 . ]" 2
19 1 49 GLU HA 1 52 ARG QD 3.100 . 4.500 2.622 1.953 4.248 . 0 0 "[ . 1 . ]" 2
20 1 52 ARG HA 1 55 ILE HB 2.600 . 3.500 3.277 2.908 3.512 0.012 6 0 "[ . 1 . ]" 2
21 1 52 ARG HA 1 55 ILE QG 3.100 . 4.500 3.647 2.313 4.099 . 0 0 "[ . 1 . ]" 2
22 1 54 THR HA 1 57 ARG QB 3.100 . 4.500 3.233 2.716 3.934 . 0 0 "[ . 1 . ]" 2
23 1 14 LEU QD 1 55 ILE HA 3.900 . 6.000 1.914 1.730 2.235 0.170 11 0 "[ . 1 . ]" 2
24 1 56 TRP HA 1 59 LEU QB 3.100 . 4.500 2.410 2.118 2.599 . 0 0 "[ . 1 . ]" 2
25 1 56 TRP HA 1 59 LEU QD 3.900 . 6.000 3.027 2.786 3.272 . 0 0 "[ . 1 . ]" 2
26 1 57 ARG HA 1 60 GLN H 2.600 . 3.500 3.452 3.229 3.531 0.031 6 0 "[ . 1 . ]" 2
27 1 57 ARG HA 1 58 GLY H 2.600 . 3.500 3.527 3.486 3.561 0.061 7 0 "[ . 1 . ]" 2
28 1 57 ARG HA 1 60 GLN QG 3.100 . 4.500 2.507 1.918 3.352 . 0 0 "[ . 1 . ]" 2
29 1 59 LEU HA 1 62 LEU H 2.600 . 3.500 3.430 3.032 3.536 0.036 6 0 "[ . 1 . ]" 2
30 1 59 LEU HA 1 62 LEU QB 3.100 . 4.500 3.577 2.970 4.000 . 0 0 "[ . 1 . ]" 2
31 1 59 LEU HA 1 62 LEU HG 2.600 . 3.500 3.071 1.904 3.525 0.025 5 0 "[ . 1 . ]" 2
32 1 58 GLY QA 1 61 ASP H 3.400 . 5.000 3.340 3.173 3.553 . 0 0 "[ . 1 . ]" 2
33 1 55 ILE HA 1 58 GLY H 3.400 . 5.000 3.593 3.388 3.838 . 0 0 "[ . 1 . ]" 2
34 1 52 ARG HA 1 55 ILE H 3.400 . 5.000 3.723 3.569 3.927 . 0 0 "[ . 1 . ]" 2
35 1 61 ASP HA 1 64 GLN QB 3.400 . 5.000 3.405 2.215 4.597 . 0 0 "[ . 1 . ]" 2
36 1 51 TYR HA 1 54 THR HB 3.400 . 5.000 3.208 2.537 3.962 . 0 0 "[ . 1 . ]" 2
37 1 40 GLU HA 1 43 GLY H 3.100 . 4.500 4.210 3.810 4.445 . 0 0 "[ . 1 . ]" 2
38 1 22 TYR HA 1 25 SER H 3.400 . 5.000 3.680 3.418 3.964 . 0 0 "[ . 1 . ]" 2
39 1 23 PHE HA 1 27 GLY H 3.400 . 5.000 4.824 4.647 5.036 0.036 17 0 "[ . 1 . ]" 2
40 1 5 PRO HA 1 8 VAL H 3.100 . 4.500 3.882 3.489 4.505 0.005 9 0 "[ . 1 . ]" 2
41 1 5 PRO HA 1 9 SER H 3.400 . 5.000 4.338 3.540 4.956 . 0 0 "[ . 1 . ]" 2
42 1 5 PRO HA 1 8 VAL QG 3.400 . 5.000 3.057 1.883 4.163 . 0 0 "[ . 1 . ]" 2
43 1 6 SER HA 1 10 PHE H 3.400 . 5.000 4.815 4.227 5.034 0.034 16 0 "[ . 1 . ]" 2
44 1 6 SER HA 1 9 SER H 3.400 . 5.000 4.419 3.700 4.781 . 0 0 "[ . 1 . ]" 2
45 1 7 LEU HA 1 10 PHE QB 3.100 . 4.500 3.013 2.447 3.449 . 0 0 "[ . 1 . ]" 2
46 1 7 LEU HA 1 10 PHE QD 3.400 . 5.000 4.426 4.002 4.996 . 0 0 "[ . 1 . ]" 2
47 1 8 VAL HA 1 11 LEU H 3.400 . 5.000 3.510 3.198 4.064 . 0 0 "[ . 1 . ]" 2
48 1 8 VAL HA 1 11 LEU QB 3.400 . 5.000 2.746 2.296 4.380 . 0 0 "[ . 1 . ]" 2
49 1 27 GLY QA 1 29 GLN H 2.600 . 3.500 3.219 3.188 3.281 . 0 0 "[ . 1 . ]" 2
50 1 28 LEU HA 1 29 GLN H 2.600 . 3.500 2.793 2.698 2.841 . 0 0 "[ . 1 . ]" 2
51 1 28 LEU HA 1 30 SER H 3.100 . 4.500 3.569 3.273 3.695 . 0 0 "[ . 1 . ]" 2
52 1 31 ILE HA 1 34 LEU H 2.600 . 3.500 3.100 2.999 3.318 . 0 0 "[ . 1 . ]" 2
53 1 31 ILE HA 1 34 LEU QB 3.400 . 5.000 3.994 3.949 4.185 . 0 0 "[ . 1 . ]" 2
54 1 32 TYR HA 1 35 GLN QB 3.400 . 5.000 2.761 2.360 3.509 . 0 0 "[ . 1 . ]" 2
55 1 32 TYR HA 1 35 GLN QG 3.400 . 5.000 3.753 1.815 4.646 . 0 0 "[ . 1 . ]" 2
56 1 34 LEU HA 1 37 LEU HG 3.400 . 5.000 3.990 3.086 4.918 . 0 0 "[ . 1 . ]" 2
57 1 39 ILE HA 1 42 LEU QB 3.100 . 4.500 1.945 1.920 2.061 . 0 0 "[ . 1 . ]" 2
58 1 41 ASP HA 1 44 ALA MB 2.600 . 3.500 2.169 1.929 2.412 . 0 0 "[ . 1 . ]" 2
59 1 23 PHE QD 1 28 LEU MD2 1.800 . 4.804 2.743 2.076 3.572 . 0 0 "[ . 1 . ]" 2
60 1 23 PHE QD 1 28 LEU HG 1.800 . 3.000 2.116 1.932 2.525 . 0 0 "[ . 1 . ]" 2
61 1 23 PHE QE 1 28 LEU HG 1.800 . 4.000 3.831 3.517 4.011 0.011 10 0 "[ . 1 . ]" 2
62 1 28 LEU HG 1 34 LEU MD1 1.800 . 4.804 4.077 3.935 4.364 . 0 0 "[ . 1 . ]" 2
63 1 28 LEU HG 1 34 LEU MD2 1.800 . 4.804 3.754 3.632 3.936 . 0 0 "[ . 1 . ]" 2
64 1 31 ILE HA 1 34 LEU MD1 1.800 . 4.804 2.483 2.336 2.679 . 0 0 "[ . 1 . ]" 2
65 1 33 HIS QB 1 34 LEU MD2 1.800 . 8.088 2.405 2.207 2.570 . 0 0 "[ . 1 . ]" 2
66 1 31 ILE MG 1 35 GLN QG 1.800 . 7.206 4.658 3.009 5.582 . 0 0 "[ . 1 . ]" 2
67 1 39 ILE MD 1 42 LEU HG 1.800 . 3.603 3.109 2.668 3.621 0.018 17 0 "[ . 1 . ]" 2
68 1 39 ILE QG 1 42 LEU HG 1.800 . 7.206 4.500 4.284 4.665 . 0 0 "[ . 1 . ]" 2
69 1 39 ILE MG 1 42 LEU HG 1.800 . 4.804 4.632 4.505 4.770 . 0 0 "[ . 1 . ]" 2
70 1 23 PHE QB 1 45 LEU QD 1.800 . 7.206 3.526 3.176 3.820 . 0 0 "[ . 1 . ]" 2
71 1 23 PHE QD 1 45 LEU QD 1.800 . 5.769 2.256 1.939 3.248 . 0 0 "[ . 1 . ]" 2
72 1 26 GLN HG3 1 45 LEU HG 1.800 . 4.000 2.163 1.937 3.193 . 0 0 "[ . 1 . ]" 2
73 1 26 GLN HG2 1 45 LEU HG 1.800 . 4.000 3.461 2.902 4.294 0.294 17 0 "[ . 1 . ]" 2
74 1 26 GLN QG 1 45 LEU HG 1.800 . 3.424 2.138 1.929 3.111 . 0 0 "[ . 1 . ]" 2
75 1 42 LEU QD 1 45 LEU QD 1.800 . 4.327 3.026 2.750 4.037 . 0 0 "[ . 1 . ]" 2
76 1 42 LEU H 1 45 LEU QD 1.800 . 7.206 4.164 3.839 5.864 . 0 0 "[ . 1 . ]" 2
77 1 19 CYS QB 1 47 ILE MD 1.800 . 7.206 3.886 3.151 4.543 . 0 0 "[ . 1 . ]" 2
78 1 22 TYR QB 1 47 ILE MD 1.800 . 4.153 2.025 1.769 2.516 0.031 17 0 "[ . 1 . ]" 2
79 1 48 PRO HG3 1 51 TYR QE 1.800 . 10.295 7.986 5.295 9.433 . 0 0 "[ . 1 . ]" 2
80 1 48 PRO HG2 1 51 TYR QE 1.800 . 10.295 6.737 4.247 8.325 . 0 0 "[ . 1 . ]" 2
81 1 48 PRO QG 1 51 TYR QE 1.800 . 8.100 6.397 4.083 7.805 . 0 0 "[ . 1 . ]" 2
82 1 14 LEU MD2 1 54 THR MG 1.800 . 4.327 3.339 2.006 3.574 . 0 0 "[ . 1 . ]" 2
83 1 39 ILE MD 1 56 TRP HA 1.800 . 7.206 4.533 4.243 4.808 . 0 0 "[ . 1 . ]" 2
84 1 39 ILE MD 1 56 TRP QB 1.800 . 4.804 2.373 2.172 2.715 . 0 0 "[ . 1 . ]" 2
85 1 39 ILE MG 1 56 TRP QB 1.800 . 3.603 3.525 3.257 3.669 0.066 14 0 "[ . 1 . ]" 2
86 1 39 ILE MG 1 56 TRP H 1.800 . 7.206 5.787 5.491 5.977 . 0 0 "[ . 1 . ]" 2
87 1 42 LEU HG 1 56 TRP HA 1.800 . 4.000 3.411 3.321 3.533 . 0 0 "[ . 1 . ]" 2
88 1 42 LEU HG 1 56 TRP QB 1.800 . 3.424 2.393 2.229 2.521 . 0 0 "[ . 1 . ]" 2
89 1 42 LEU QD 1 56 TRP HD1 1.800 . 7.206 4.234 3.952 4.870 . 0 0 "[ . 1 . ]" 2
90 1 42 LEU HG 1 56 TRP HD1 1.800 . 6.000 4.565 4.301 4.971 . 0 0 "[ . 1 . ]" 2
91 1 14 LEU HG 1 58 GLY QA 1.800 . 6.000 3.423 2.849 3.878 . 0 0 "[ . 1 . ]" 2
92 1 14 LEU MD2 1 58 GLY QA 1.800 . 7.206 2.167 1.796 4.188 0.004 6 0 "[ . 1 . ]" 2
93 1 34 LEU MD1 1 59 LEU MD2 1.800 . 4.327 2.816 2.483 3.165 . 0 0 "[ . 1 . ]" 2
94 1 34 LEU MD1 1 59 LEU HG 1.800 . 7.206 3.180 2.799 3.557 . 0 0 "[ . 1 . ]" 2
95 1 35 GLN QG 1 59 LEU MD2 1.800 . 7.206 6.224 5.875 6.677 . 0 0 "[ . 1 . ]" 2
96 1 35 GLN QG 1 59 LEU HG 1.800 . 6.000 5.941 5.702 6.024 0.024 12 0 "[ . 1 . ]" 2
97 1 31 ILE MD 1 62 LEU QD 1.800 . 4.327 1.823 1.621 2.896 0.179 6 0 "[ . 1 . ]" 2
98 1 31 ILE QG 1 62 LEU QD 1.800 . 5.769 2.002 1.696 2.442 0.104 7 0 "[ . 1 . ]" 2
99 1 32 TYR QD 1 34 LEU MD2 1.800 . 6.000 5.800 5.457 6.038 0.038 17 0 "[ . 1 . ]" 2
100 1 31 ILE HA 1 34 LEU MD2 1.800 . 4.804 1.992 1.893 2.063 . 0 0 "[ . 1 . ]" 2
101 1 28 LEU MD2 1 34 LEU MD2 1.800 . 4.327 1.901 1.864 2.073 . 0 0 "[ . 1 . ]" 2
102 1 28 LEU MD2 1 34 LEU MD1 1.800 . 5.769 3.428 3.237 3.632 . 0 0 "[ . 1 . ]" 2
103 1 14 LEU HG 1 55 ILE H 1.800 . 6.000 4.411 3.660 4.788 . 0 0 "[ . 1 . ]" 2
104 1 20 ILE MD 1 23 PHE H 1.800 . 7.206 5.690 4.446 5.953 . 0 0 "[ . 1 . ]" 2
105 1 31 ILE MD 1 34 LEU H 1.800 . 5.000 5.007 4.951 5.042 0.042 15 0 "[ . 1 . ]" 2
106 1 14 LEU MD2 1 55 ILE H 1.800 . 4.804 4.143 2.980 4.682 . 0 0 "[ . 1 . ]" 2
107 1 14 LEU MD2 1 55 ILE QG 1.800 . 5.769 3.178 1.862 3.956 . 0 0 "[ . 1 . ]" 2
108 1 14 LEU MD2 1 55 ILE HB 1.800 . 4.804 4.272 3.736 4.844 0.040 6 0 "[ . 1 . ]" 2
109 1 14 LEU MD2 1 55 ILE MG 1.800 . 4.327 2.547 2.279 3.034 . 0 0 "[ . 1 . ]" 2
110 1 23 PHE QE 1 45 LEU QD 1.800 . 3.603 2.318 1.865 3.421 . 0 0 "[ . 1 . ]" 2
111 1 16 CYS HA 1 17 PRO QD 1.800 . 4.490 2.193 2.088 2.327 . 0 0 "[ . 1 . ]" 2
112 1 16 CYS QB 1 17 PRO QD 1.800 . 7.560 3.775 3.648 3.847 . 0 0 "[ . 1 . ]" 2
113 1 7 LEU MD1 1 34 LEU MD2 1.800 . 6.000 3.441 1.863 3.902 . 0 0 "[ . 1 . ]" 2
114 1 7 LEU MD1 1 34 LEU MD1 1.800 . 6.000 3.662 2.253 4.071 . 0 0 "[ . 1 . ]" 2
115 1 7 LEU HG 1 34 LEU MD1 1.800 . 6.000 3.825 2.555 4.159 . 0 0 "[ . 1 . ]" 2
116 1 6 SER HA 1 31 ILE MG 1.800 . 6.000 5.693 4.925 6.020 0.020 3 0 "[ . 1 . ]" 2
117 1 6 SER QB 1 31 ILE MG 1.800 . 6.000 3.840 3.437 4.481 . 0 0 "[ . 1 . ]" 2
118 1 31 ILE MG 1 62 LEU QB 1.800 . 6.000 4.512 3.361 5.106 . 0 0 "[ . 1 . ]" 2
119 1 11 LEU QD 1 16 CYS QB 1.800 . 6.000 2.941 1.945 3.935 . 0 0 "[ . 1 . ]" 2
120 1 11 LEU QD 1 19 CYS QB 1.800 . 6.000 3.517 3.119 4.330 . 0 0 "[ . 1 . ]" 2
121 1 16 CYS QB 1 19 CYS QB 1.800 . 6.000 2.020 1.792 2.632 0.008 15 0 "[ . 1 . ]" 2
122 1 8 VAL HA 1 20 ILE MG 1.800 . 6.000 5.413 4.431 5.887 . 0 0 "[ . 1 . ]" 2
123 1 8 VAL HA 1 20 ILE MD 1.800 . 4.804 2.720 1.845 3.169 . 0 0 "[ . 1 . ]" 2
124 1 7 LEU MD1 1 20 ILE MD 1.800 . 7.560 2.974 2.428 3.920 . 0 0 "[ . 1 . ]" 2
125 1 7 LEU MD1 1 20 ILE MG 1.800 . 7.560 5.666 4.889 6.738 . 0 0 "[ . 1 . ]" 2
126 1 10 PHE QB 1 31 ILE MD 1.800 . 6.000 2.952 2.544 3.207 . 0 0 "[ . 1 . ]" 2
127 1 10 PHE QD 1 31 ILE MD 1.800 . 6.000 3.555 2.509 4.377 . 0 0 "[ . 1 . ]" 2
128 1 12 THR MG 1 17 PRO QD 1.800 . 6.000 3.395 3.140 3.668 . 0 0 "[ . 1 . ]" 2
129 1 7 LEU MD1 1 11 LEU H 1.800 . 6.000 3.858 3.399 5.024 . 0 0 "[ . 1 . ]" 2
130 1 7 LEU MD1 1 10 PHE QB 1.800 . 6.000 4.757 4.261 5.444 . 0 0 "[ . 1 . ]" 2
131 1 35 GLN QG 1 62 LEU QB 1.800 . 6.000 3.901 2.165 4.547 . 0 0 "[ . 1 . ]" 2
132 1 7 LEU MD1 1 24 THR MG 1.800 . 6.000 4.451 3.869 6.010 0.010 17 0 "[ . 1 . ]" 2
133 1 20 ILE HB 1 24 THR MG 1.800 . 6.000 4.378 4.083 5.801 . 0 0 "[ . 1 . ]" 2
134 1 20 ILE QG 1 24 THR MG 1.800 . 6.000 2.022 1.763 3.457 0.037 7 0 "[ . 1 . ]" 2
135 1 7 LEU HG 1 8 VAL MG1 2.800 . 3.800 3.938 3.634 4.285 0.485 12 0 "[ . 1 . ]" 2
136 1 28 LEU MD1 1 37 LEU HG 2.400 . 4.500 4.633 3.984 4.929 0.429 3 0 "[ . 1 . ]" 2
137 1 37 LEU HA 1 42 LEU QD 2.900 . 4.000 3.789 3.487 3.937 . 0 0 "[ . 1 . ]" 2
138 1 34 LEU HB3 1 42 LEU MD1 2.700 . 4.500 4.408 4.317 4.469 . 0 0 "[ . 1 . ]" 2
139 1 42 LEU QD 1 52 ARG QG 2.700 . 3.600 2.709 2.393 3.156 . 0 0 "[ . 1 . ]" 2
140 1 11 LEU QD 1 24 THR MG 1.900 . 4.500 3.033 1.928 3.524 . 0 0 "[ . 1 . ]" 2
141 1 42 LEU QD 1 45 LEU HG 2.900 . 4.000 3.915 3.575 4.000 . 9 0 "[ . 1 . ]" 2
142 1 34 LEU HG 1 37 LEU MD2 2.900 . 4.000 4.176 3.946 4.372 0.372 17 0 "[ . 1 . ]" 2
143 1 14 LEU HB3 1 14 LEU HG 1.800 . 2.200 2.019 1.849 2.150 . 0 0 "[ . 1 . ]" 2
144 1 38 THR MG 1 59 LEU HB3 2.900 . 4.500 4.515 4.245 4.870 0.370 14 0 "[ . 1 . ]" 2
145 1 3 ALA MB 1 8 VAL MG1 1.700 . 4.500 4.192 3.725 5.081 0.581 17 1 "[ . 1 . + ]" 2
146 1 7 LEU MD2 1 31 ILE MG 1.800 . 4.500 3.023 2.873 3.115 . 0 0 "[ . 1 . ]" 2
147 1 42 LEU QB 1 55 ILE HB 1.700 . 4.500 3.792 3.432 4.029 . 0 0 "[ . 1 . ]" 2
148 1 32 TYR HA 1 33 HIS HA 2.900 . 4.500 4.251 4.206 4.268 . 0 0 "[ . 1 . ]" 2
149 1 14 LEU HB3 1 14 LEU MD1 2.600 . 3.400 2.289 1.785 2.472 0.015 11 0 "[ . 1 . ]" 2
150 1 44 ALA H 1 45 LEU HB3 3.400 . 4.800 4.859 4.807 4.913 0.113 7 0 "[ . 1 . ]" 2
151 1 39 ILE HG13 1 44 ALA H 3.500 . 5.000 3.295 2.936 4.353 . 0 0 "[ . 1 . ]" 2
152 1 42 LEU QD 1 59 LEU H 3.100 . 4.300 3.826 3.565 4.006 . 0 0 "[ . 1 . ]" 2
153 1 14 LEU HG 1 59 LEU H 3.400 . 4.800 4.126 3.868 4.360 . 0 0 "[ . 1 . ]" 2
154 1 40 GLU HG3 1 41 ASP H 3.000 . 4.100 3.390 1.915 4.114 0.014 17 0 "[ . 1 . ]" 2
155 1 37 LEU HG 1 41 ASP H 3.300 . 4.700 3.542 3.345 3.665 . 0 0 "[ . 1 . ]" 2
156 1 66 HIS HA 1 67 ASP H 2.500 . 3.300 2.177 2.004 2.558 . 0 0 "[ . 1 . ]" 2
157 1 52 ARG HB3 1 56 TRP H 3.500 . 5.000 4.536 3.992 4.826 . 0 0 "[ . 1 . ]" 2
158 1 51 TYR HB3 1 55 ILE H 3.300 . 4.700 3.853 3.546 4.358 . 0 0 "[ . 1 . ]" 2
159 1 52 ARG HB3 1 55 ILE H 3.600 . 5.200 4.648 3.964 4.828 . 0 0 "[ . 1 . ]" 2
160 1 42 LEU QD 1 55 ILE H 2.500 . 3.300 2.856 2.346 3.039 . 0 0 "[ . 1 . ]" 2
161 1 42 LEU QB 1 56 TRP H 3.100 . 4.300 3.720 3.480 3.906 . 0 0 "[ . 1 . ]" 2
162 1 37 LEU H 1 37 LEU HG 2.600 . 4.500 3.797 3.302 4.360 . 0 0 "[ . 1 . ]" 2
163 1 37 LEU H 1 37 LEU QD 2.500 . 3.300 3.278 2.854 3.392 0.092 7 0 "[ . 1 . ]" 2
164 1 30 SER HB3 1 32 TYR H 3.100 . 4.300 3.179 2.981 3.362 . 0 0 "[ . 1 . ]" 2
165 1 31 ILE MD 1 32 TYR H 3.500 . 5.000 4.668 4.644 4.686 . 0 0 "[ . 1 . ]" 2
166 1 57 ARG HA 1 60 GLN H 2.400 . 3.100 2.719 2.674 2.766 . 0 0 "[ . 1 . ]" 2
167 1 60 GLN H 1 60 GLN QG 2.600 . 3.400 2.252 1.899 2.612 . 0 0 "[ . 1 . ]" 2
168 1 60 GLN H 1 60 GLN HB3 2.300 . 3.000 2.437 1.919 3.390 0.390 5 0 "[ . 1 . ]" 2
169 1 60 GLN QG 1 63 LYS H 2.700 . 4.500 4.236 3.880 4.388 . 0 0 "[ . 1 . ]" 2
170 1 7 LEU HB2 1 8 VAL H 3.100 . 4.300 3.308 2.954 3.725 . 0 0 "[ . 1 . ]" 2
171 1 45 LEU HB3 1 47 ILE H 2.800 . 3.800 3.222 2.993 3.448 . 0 0 "[ . 1 . ]" 2
172 1 28 LEU HA 1 29 GLN H 2.600 . 3.400 2.546 2.496 2.570 . 0 0 "[ . 1 . ]" 2
173 1 27 GLY HA3 1 29 GLN H 3.200 . 4.500 3.846 3.654 4.017 . 0 0 "[ . 1 . ]" 2
174 1 24 THR MG 1 29 GLN H 3.300 . 4.700 3.882 3.687 4.176 . 0 0 "[ . 1 . ]" 2
175 1 51 TYR HB3 1 54 THR H 3.500 . 5.000 3.841 3.462 4.295 . 0 0 "[ . 1 . ]" 2
176 1 54 THR H 1 55 ILE HB 3.000 . 4.100 4.384 3.887 4.670 0.570 6 1 "[ .+ 1 . ]" 2
177 1 42 LEU QD 1 54 THR H 3.200 . 4.500 4.364 4.068 4.476 . 0 0 "[ . 1 . ]" 2
178 1 34 LEU H 1 35 GLN HB2 3.100 . 4.300 3.955 3.787 4.141 . 0 0 "[ . 1 . ]" 2
179 1 28 LEU QD 1 34 LEU H 3.200 . 4.500 3.472 3.337 3.676 . 0 0 "[ . 1 . ]" 2
180 1 20 ILE MG 1 22 TYR H 3.100 . 4.300 3.854 3.540 4.088 . 0 0 "[ . 1 . ]" 2
181 1 56 TRP HB2 1 57 ARG H 2.900 . 4.000 3.613 3.493 3.733 . 0 0 "[ . 1 . ]" 2
182 1 42 LEU QD 1 57 ARG H 3.500 . 5.000 4.332 4.063 4.630 . 0 0 "[ . 1 . ]" 2
183 1 25 SER H 1 27 GLY H 3.200 . 4.500 4.036 3.754 4.225 . 0 0 "[ . 1 . ]" 2
184 1 37 LEU HB3 1 42 LEU H 3.100 . 4.300 4.208 3.967 4.308 0.008 7 0 "[ . 1 . ]" 2
185 1 39 ILE HG13 1 42 LEU H 3.300 . 4.700 3.899 3.714 4.321 . 0 0 "[ . 1 . ]" 2
186 1 42 LEU QD 1 45 LEU H 2.900 . 4.000 3.859 3.589 3.971 . 0 0 "[ . 1 . ]" 2
187 1 11 LEU HA 1 14 LEU H 2.800 . 3.800 3.765 3.419 3.878 0.078 2 0 "[ . 1 . ]" 2
188 1 49 GLU HA 1 53 MET H 3.300 . 4.700 4.329 4.087 4.589 . 0 0 "[ . 1 . ]" 2
189 1 49 GLU HA 1 51 TYR H 2.700 . 3.600 3.463 3.229 3.634 0.034 13 0 "[ . 1 . ]" 2
190 1 48 PRO HG2 1 51 TYR H 3.500 . 5.000 4.767 4.379 5.028 0.028 2 0 "[ . 1 . ]" 2
191 1 48 PRO HG2 1 50 GLN H 3.100 . 4.300 3.796 3.360 4.181 . 0 0 "[ . 1 . ]" 2
192 1 49 GLU HB3 1 50 GLN H 3.000 . 4.100 3.808 3.606 4.056 . 0 0 "[ . 1 . ]" 2
193 1 11 LEU H 1 31 ILE MD 3.500 . 5.000 3.959 3.648 4.303 . 0 0 "[ . 1 . ]" 2
194 1 31 ILE MD 1 33 HIS H 3.300 . 4.700 4.701 4.623 4.724 0.024 10 0 "[ . 1 . ]" 2
195 1 36 ASN H 1 37 LEU QD 3.300 . 4.700 4.235 3.946 4.608 . 0 0 "[ . 1 . ]" 2
196 1 35 GLN HB2 1 36 ASN H 2.800 . 3.800 3.216 2.629 3.474 . 0 0 "[ . 1 . ]" 2
197 1 28 LEU QD 1 35 GLN H 3.300 . 4.700 4.105 3.925 4.362 . 0 0 "[ . 1 . ]" 2
198 1 34 LEU MD2 1 35 GLN H 2.900 . 4.000 3.825 3.588 3.988 . 0 0 "[ . 1 . ]" 2
199 1 31 ILE MD 1 35 GLN H 3.300 . 4.700 4.657 4.405 4.735 0.035 4 0 "[ . 1 . ]" 2
200 1 38 THR MG 1 60 GLN HE22 2.900 . 4.000 3.282 3.214 3.377 . 0 0 "[ . 1 . ]" 2
201 1 38 THR MG 1 60 GLN HE21 2.700 . 3.600 2.333 2.101 2.611 . 0 0 "[ . 1 . ]" 2
202 1 28 LEU HA 1 30 SER H 2.700 . 3.600 3.126 2.963 3.182 . 0 0 "[ . 1 . ]" 2
203 1 16 CYS H 1 17 PRO QG 3.100 . 4.500 4.329 3.734 4.567 0.067 3 0 "[ . 1 . ]" 2
204 1 37 LEU H 1 38 THR H 3.100 . 4.300 4.280 4.196 4.373 0.073 12 0 "[ . 1 . ]" 2
205 1 37 LEU HG 1 38 THR H 3.000 . 4.100 2.780 1.967 3.240 . 0 0 "[ . 1 . ]" 2
206 1 24 THR H 1 27 GLY H 3.400 . 4.800 4.023 3.897 4.200 . 0 0 "[ . 1 . ]" 2
207 1 6 SER H 1 6 SER HA 3.000 . 4.100 2.677 2.251 2.783 . 0 0 "[ . 1 . ]" 2
208 1 11 LEU HG 1 24 THR H 3.500 . 5.000 5.047 4.980 5.139 0.139 15 0 "[ . 1 . ]" 2
209 1 20 ILE MG 1 24 THR H 3.100 . 4.500 4.540 4.505 4.591 0.091 14 0 "[ . 1 . ]" 2
210 1 11 LEU QD 1 24 THR H 3.000 . 4.500 4.301 3.907 4.417 . 0 0 "[ . 1 . ]" 2
211 1 11 LEU HG 1 23 PHE H 3.600 . 5.200 5.191 4.901 5.432 0.232 16 0 "[ . 1 . ]" 2
212 1 23 PHE H 1 24 THR MG 2.900 . 4.000 4.018 3.730 4.132 0.132 5 0 "[ . 1 . ]" 2
213 1 23 PHE H 1 28 LEU HG 3.200 . 4.500 4.461 4.225 4.573 0.073 14 0 "[ . 1 . ]" 2
214 1 11 LEU QD 1 23 PHE H 3.100 . 4.300 3.900 3.617 4.019 . 0 0 "[ . 1 . ]" 2
215 1 11 LEU QB 1 13 GLY H 3.200 . 4.500 4.373 4.269 4.502 0.002 4 0 "[ . 1 . ]" 2
216 1 48 PRO HB3 1 50 GLN HE21 3.000 . 4.100 3.428 2.344 4.037 . 0 0 "[ . 1 . ]" 2
217 1 48 PRO HB3 1 50 GLN HE22 3.200 . 4.500 3.929 2.767 4.469 . 0 0 "[ . 1 . ]" 2
218 1 44 ALA HA 1 46 LYS H 2.700 . 3.600 3.144 3.027 3.209 . 0 0 "[ . 1 . ]" 2
219 1 45 LEU HB3 1 46 LYS H 2.500 . 3.300 3.434 3.073 3.726 0.426 13 0 "[ . 1 . ]" 2
220 1 44 ALA MB 1 46 LYS H 3.000 . 4.100 4.072 3.936 4.183 0.083 18 0 "[ . 1 . ]" 2
221 1 32 TYR HA 1 35 GLN HE21 3.100 . 4.300 3.700 2.346 4.208 . 0 0 "[ . 1 . ]" 2
222 1 32 TYR HA 1 35 GLN HE22 3.300 . 4.700 4.061 3.068 4.615 . 0 0 "[ . 1 . ]" 2
223 1 35 GLN HE22 1 62 LEU HB2 3.500 . 5.000 4.431 3.865 4.848 . 0 0 "[ . 1 . ]" 2
224 1 54 THR HA 1 58 GLY H 3.200 . 4.500 4.058 3.901 4.187 . 0 0 "[ . 1 . ]" 2
225 1 42 LEU QD 1 58 GLY H 3.400 . 4.800 4.358 4.121 4.674 . 0 0 "[ . 1 . ]" 2
226 1 15 GLY H 1 17 PRO HB3 3.600 . 5.200 4.724 4.191 4.917 . 0 0 "[ . 1 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 22
_Distance_constraint_stats_list.Viol_count 68
_Distance_constraint_stats_list.Viol_total 28.662
_Distance_constraint_stats_list.Viol_max 0.116
_Distance_constraint_stats_list.Viol_rms 0.0132
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0234
_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 7 LEU 0.139 0.021 16 0 "[ . 1 . ]"
1 8 VAL 0.095 0.033 4 0 "[ . 1 . ]"
1 10 PHE 0.010 0.010 9 0 "[ . 1 . ]"
1 11 LEU 0.139 0.021 16 0 "[ . 1 . ]"
1 12 THR 1.091 0.116 4 0 "[ . 1 . ]"
1 14 LEU 0.010 0.010 9 0 "[ . 1 . ]"
1 16 CYS 0.995 0.116 4 0 "[ . 1 . ]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 52 ARG 0.087 0.022 12 0 "[ . 1 . ]"
1 53 MET 0.013 0.010 17 0 "[ . 1 . ]"
1 54 THR 0.126 0.034 14 0 "[ . 1 . ]"
1 55 ILE 0.012 0.005 7 0 "[ . 1 . ]"
1 56 TRP 0.201 0.060 14 0 "[ . 1 . ]"
1 57 ARG 0.013 0.010 17 0 "[ . 1 . ]"
1 58 GLY 0.126 0.034 14 0 "[ . 1 . ]"
1 59 LEU 0.012 0.005 7 0 "[ . 1 . ]"
1 60 GLN 0.114 0.060 14 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 7 LEU O 1 11 LEU H 2.000 . 2.200 1.801 1.779 1.867 0.021 16 0 "[ . 1 . ]" 3
2 1 7 LEU O 1 11 LEU N 2.500 . 3.300 2.768 2.740 2.840 . 0 0 "[ . 1 . ]" 3
3 1 8 VAL O 1 12 THR H 2.000 . 2.200 2.188 2.084 2.233 0.033 4 0 "[ . 1 . ]" 3
4 1 8 VAL O 1 12 THR N 2.500 . 3.300 3.136 2.974 3.192 . 0 0 "[ . 1 . ]" 3
5 1 10 PHE O 1 14 LEU H 2.000 . 2.200 1.910 1.790 2.035 0.010 9 0 "[ . 1 . ]" 3
6 1 10 PHE O 1 14 LEU N 2.500 . 3.300 2.723 2.626 2.849 . 0 0 "[ . 1 . ]" 3
7 1 12 THR O 1 16 CYS H 2.000 . 2.200 2.255 2.236 2.316 0.116 4 0 "[ . 1 . ]" 3
8 1 12 THR O 1 16 CYS N 2.500 . 3.300 3.043 2.959 3.115 . 0 0 "[ . 1 . ]" 3
9 1 19 CYS O 1 23 PHE H 2.000 . 2.200 2.014 1.832 2.188 . 0 0 "[ . 1 . ]" 3
10 1 19 CYS O 1 23 PHE N 2.500 . 3.300 2.909 2.712 3.010 . 0 0 "[ . 1 . ]" 3
11 1 51 TYR O 1 55 ILE H 2.000 . 2.200 1.985 1.824 2.134 . 0 0 "[ . 1 . ]" 3
12 1 51 TYR O 1 55 ILE N 2.500 . 3.300 2.931 2.737 3.084 . 0 0 "[ . 1 . ]" 3
13 1 52 ARG O 1 56 TRP H 2.000 . 2.200 2.156 2.063 2.222 0.022 12 0 "[ . 1 . ]" 3
14 1 52 ARG O 1 56 TRP N 2.500 . 3.300 3.107 2.998 3.188 . 0 0 "[ . 1 . ]" 3
15 1 53 MET O 1 57 ARG H 2.000 . 2.200 1.889 1.790 1.980 0.010 17 0 "[ . 1 . ]" 3
16 1 53 MET O 1 57 ARG N 2.500 . 3.300 2.854 2.759 2.936 . 0 0 "[ . 1 . ]" 3
17 1 54 THR O 1 58 GLY H 2.000 . 2.200 2.145 1.962 2.234 0.034 14 0 "[ . 1 . ]" 3
18 1 54 THR O 1 58 GLY N 2.500 . 3.300 3.031 2.738 3.188 . 0 0 "[ . 1 . ]" 3
19 1 55 ILE O 1 59 LEU H 2.000 . 2.200 2.041 1.814 2.205 0.005 7 0 "[ . 1 . ]" 3
20 1 55 ILE O 1 59 LEU N 2.500 . 3.300 2.862 2.621 3.128 . 0 0 "[ . 1 . ]" 3
21 1 56 TRP O 1 60 GLN H 2.000 . 2.200 1.912 1.740 2.135 0.060 14 0 "[ . 1 . ]" 3
22 1 56 TRP O 1 60 GLN N 2.500 . 3.300 2.778 2.554 2.946 . 0 0 "[ . 1 . ]" 3
stop_
save_
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