NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580335 |
4ch0   |
19652 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_4ch0
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 1358
_Distance_constraint_stats_list.Viol_count 519
_Distance_constraint_stats_list.Viol_total 996.845
_Distance_constraint_stats_list.Viol_max 0.951
_Distance_constraint_stats_list.Viol_rms 0.0354
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.1280
_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 5 SER 0.000 0.000 . 0 "[ . 1 .]"
1 6 ARG 0.045 0.036 12 0 "[ . 1 .]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 8 THR 0.096 0.031 3 0 "[ . 1 .]"
1 9 MET 3.114 0.733 12 1 "[ . 1 + .]"
1 10 PHE 3.637 0.733 12 1 "[ . 1 + .]"
1 11 THR 2.302 0.344 9 0 "[ . 1 .]"
1 12 LYS 4.175 0.616 10 2 "[- . + .]"
1 13 ILE 0.009 0.009 14 0 "[ . 1 .]"
1 14 PHE 0.748 0.095 4 0 "[ . 1 .]"
1 15 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 18 LEU 1.340 0.124 10 0 "[ . 1 .]"
1 19 PRO 0.585 0.173 9 0 "[ . 1 .]"
1 20 TYR 14.203 0.951 8 9 "[*- .* +**** *]"
1 21 HIS 8.157 0.844 12 7 "[** . *-*+ *]"
1 22 THR 2.306 0.186 4 0 "[ . 1 .]"
1 23 SER 0.133 0.058 14 0 "[ . 1 .]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 25 LYS 0.120 0.058 14 0 "[ . 1 .]"
1 26 THR 0.264 0.207 11 0 "[ . 1 .]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 28 HIS 0.130 0.068 5 0 "[ . 1 .]"
1 29 GLU 0.722 0.232 11 0 "[ . 1 .]"
1 30 TYR 0.238 0.067 11 0 "[ . 1 .]"
1 31 PHE 0.742 0.234 5 0 "[ . 1 .]"
1 32 GLU 2.248 0.847 1 1 "[+ . 1 .]"
1 33 GLN 3.741 0.557 3 2 "[ -+ . 1 .]"
1 34 PHE 3.319 0.557 3 2 "[ -+ . 1 .]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 36 ASP 1.405 0.362 12 0 "[ . 1 .]"
1 37 ILE 1.772 0.847 1 1 "[+ . 1 .]"
1 38 GLU 0.120 0.079 5 0 "[ . 1 .]"
1 39 GLU 0.150 0.150 11 0 "[ . 1 .]"
1 40 ALA 0.068 0.068 5 0 "[ . 1 .]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 42 VAL 1.506 0.186 4 0 "[ . 1 .]"
1 43 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 44 THR 0.705 0.112 4 0 "[ . 1 .]"
1 45 ASP 0.613 0.516 11 1 "[ . 1+ .]"
1 46 ARG 0.585 0.112 4 0 "[ . 1 .]"
1 47 ASN 0.031 0.021 1 0 "[ . 1 .]"
1 48 THR 0.041 0.021 1 0 "[ . 1 .]"
1 49 GLN 0.030 0.025 11 0 "[ . 1 .]"
1 50 LYS 0.241 0.116 1 0 "[ . 1 .]"
1 51 SER 6.959 0.951 8 5 "[*- .* +*1 .]"
1 52 ARG 1.296 0.561 12 1 "[ . 1 + .]"
1 53 GLY 0.472 0.065 15 0 "[ . 1 .]"
1 54 TYR 3.655 0.561 12 1 "[ . 1 + .]"
1 55 GLY 1.618 0.205 2 0 "[ . 1 .]"
1 56 PHE 1.761 0.616 10 2 "[- . + .]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 58 THR 0.353 0.150 11 0 "[ . 1 .]"
1 59 MET 3.231 0.678 7 4 "[ *-. +* 1 .]"
1 60 LYS 2.125 0.362 12 0 "[ . 1 .]"
1 61 ASP 0.120 0.050 13 0 "[ . 1 .]"
1 62 ARG 1.392 0.366 11 0 "[ . 1 .]"
1 63 ALA 6.861 0.931 2 8 "[ +*-.* * *** .]"
1 64 SER 5.847 0.678 7 4 "[ *-. +* 1 .]"
1 65 ALA 0.701 0.196 2 0 "[ . 1 .]"
1 66 GLU 10.313 0.931 2 8 "[ +*-.* * *** .]"
1 67 ARG 1.232 0.191 12 0 "[ . 1 .]"
1 68 ALA 0.251 0.067 11 0 "[ . 1 .]"
1 69 CYS 1.141 0.256 12 0 "[ . 1 .]"
1 70 LYS 0.541 0.194 10 0 "[ . 1 .]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 72 PRO 0.014 0.014 10 0 "[ . 1 .]"
1 73 ASN 0.230 0.096 14 0 "[ . 1 .]"
1 74 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 75 ILE 0.193 0.078 3 0 "[ . 1 .]"
1 76 ILE 0.401 0.078 6 0 "[ . 1 .]"
1 77 ASP 0.960 0.124 10 0 "[ . 1 .]"
1 78 GLY 0.024 0.011 8 0 "[ . 1 .]"
1 79 ARG 1.933 0.231 1 0 "[ . 1 .]"
1 80 LYS 0.328 0.096 14 0 "[ . 1 .]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 83 VAL 0.014 0.014 10 0 "[ . 1 .]"
1 84 ASN 0.688 0.522 3 1 "[ + . 1 .]"
1 85 LEU 0.261 0.114 12 0 "[ . 1 .]"
1 86 ALA 0.407 0.226 4 0 "[ . 1 .]"
1 87 TYR 0.871 0.114 12 0 "[ . 1 .]"
1 88 LEU 0.688 0.522 3 1 "[ + . 1 .]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 90 ALA 0.414 0.094 8 0 "[ . 1 .]"
1 91 LYS 0.585 0.444 5 0 "[ . 1 .]"
1 92 PRO 1.739 0.444 5 0 "[ . 1 .]"
1 93 ARG 1.088 0.216 12 0 "[ . 1 .]"
1 94 THR 0.000 0.000 . 0 "[ . 1 .]"
1 95 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 96 VAL 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 9 MET HG3 1 87 TYR QD 4.100 . 6.000 4.732 3.000 5.907 . 0 0 "[ . 1 .]" 1
2 1 52 ARG HA 1 52 ARG HB3 2.600 . 3.500 2.529 2.426 2.662 . 0 0 "[ . 1 .]" 1
3 1 33 GLN HA 1 33 GLN HG2 3.700 . 5.400 3.572 2.583 3.929 . 0 0 "[ . 1 .]" 1
4 1 8 THR HB 1 12 LYS HB3 3.300 . 4.700 4.305 3.629 4.731 0.031 3 0 "[ . 1 .]" 1
5 1 8 THR HB 1 12 LYS HB2 2.900 . 3.900 3.037 2.161 3.920 0.020 3 0 "[ . 1 .]" 1
6 1 8 THR HB 1 12 LYS QD 3.400 . 4.800 3.268 2.681 3.855 . 0 0 "[ . 1 .]" 1
7 1 22 THR MG 1 26 THR HB 2.300 . 3.000 2.035 1.760 2.479 . 0 0 "[ . 1 .]" 1
8 1 45 ASP HB2 1 48 THR MG 3.900 . 5.800 4.990 4.519 5.806 0.006 12 0 "[ . 1 .]" 1
9 1 45 ASP HB3 1 48 THR MG 4.200 . 6.000 4.251 3.655 6.004 0.004 12 0 "[ . 1 .]" 1
10 1 62 ARG HA 1 62 ARG HG3 2.900 . 4.000 3.211 2.447 4.267 0.267 1 0 "[ . 1 .]" 1
11 1 80 LYS HA 1 80 LYS HB3 2.900 . 4.000 2.887 2.426 2.967 . 0 0 "[ . 1 .]" 1
12 1 62 ARG HA 1 65 ALA MB 2.500 . 3.300 2.342 2.192 2.546 . 0 0 "[ . 1 .]" 1
13 1 15 VAL HB 1 18 LEU MD1 2.900 . 3.900 2.729 2.483 2.995 . 0 0 "[ . 1 .]" 1
14 1 36 ASP HB3 1 60 LYS HB2 3.500 . 6.000 4.121 2.434 5.648 . 0 0 "[ . 1 .]" 1
15 1 36 ASP HB3 1 60 LYS HB3 2.800 . 3.800 3.335 2.664 4.162 0.362 12 0 "[ . 1 .]" 1
16 1 19 PRO HD3 1 79 ARG HB2 2.800 . 3.800 3.092 2.158 3.819 0.019 3 0 "[ . 1 .]" 1
17 1 80 LYS HA 1 80 LYS HB3 2.800 . 3.800 2.955 2.437 3.029 . 0 0 "[ . 1 .]" 1
18 1 80 LYS HA 1 80 LYS HB2 2.400 . 3.100 2.527 2.412 2.983 . 0 0 "[ . 1 .]" 1
19 1 13 ILE HA 1 85 LEU MD2 3.100 . 4.300 2.788 2.585 3.006 . 0 0 "[ . 1 .]" 1
20 1 26 THR HB 1 26 THR MG 2.100 . 2.600 2.136 2.131 2.140 . 0 0 "[ . 1 .]" 1
21 1 8 THR HB 1 8 THR MG 2.200 . 2.800 2.135 2.129 2.140 . 0 0 "[ . 1 .]" 1
22 1 66 GLU HA 1 66 GLU HB3 2.500 . 3.300 2.497 2.403 2.751 . 0 0 "[ . 1 .]" 1
23 1 63 ALA HA 1 66 GLU HB2 3.300 . 4.700 3.539 2.408 5.223 0.523 6 2 "[ -.+ 1 .]" 1
24 1 19 PRO HD2 1 19 PRO HG2 2.600 . 3.400 2.316 2.298 2.329 . 0 0 "[ . 1 .]" 1
25 1 24 ASP HA 1 27 LEU MD2 3.200 . 4.500 3.847 3.586 4.378 . 0 0 "[ . 1 .]" 1
26 1 11 THR HB 1 11 THR MG 2.200 . 2.800 2.135 2.131 2.141 . 0 0 "[ . 1 .]" 1
27 1 8 THR HA 1 8 THR MG 2.300 . 2.900 2.229 2.153 2.295 . 0 0 "[ . 1 .]" 1
28 1 12 LYS HA 1 58 THR MG 2.800 . 3.800 3.085 2.642 3.726 . 0 0 "[ . 1 .]" 1
29 1 58 THR HA 1 58 THR MG 2.300 . 3.000 2.334 2.289 2.381 . 0 0 "[ . 1 .]" 1
30 1 52 ARG HB2 1 52 ARG HD2 3.000 . 4.100 3.134 2.395 4.191 0.091 15 0 "[ . 1 .]" 1
31 1 12 LYS QD 1 56 PHE HB2 4.300 . 6.000 4.875 4.281 5.320 . 0 0 "[ . 1 .]" 1
32 1 36 ASP QB 1 60 LYS HB3 2.500 . 3.300 2.000 1.594 2.814 0.106 13 0 "[ . 1 .]" 1
33 1 73 ASN HB2 1 80 LYS HB3 3.700 . 5.400 4.330 3.234 5.281 . 0 0 "[ . 1 .]" 1
34 1 11 THR HA 1 65 ALA MB 2.300 . 2.900 2.454 2.119 2.802 . 0 0 "[ . 1 .]" 1
35 1 19 PRO HA 1 19 PRO HB3 2.300 . 2.900 2.283 2.261 2.302 . 0 0 "[ . 1 .]" 1
36 1 5 SER HA 1 5 SER HB3 2.800 . 3.800 2.548 2.362 3.033 . 0 0 "[ . 1 .]" 1
37 1 5 SER HA 1 5 SER HB2 2.700 . 3.600 2.831 2.505 3.036 . 0 0 "[ . 1 .]" 1
38 1 5 SER HA 1 5 SER QB 2.300 . 3.000 2.327 2.182 2.447 . 0 0 "[ . 1 .]" 1
39 1 6 ARG HA 1 6 ARG HB3 2.500 . 3.300 2.525 2.380 3.026 . 0 0 "[ . 1 .]" 1
40 1 6 ARG HA 1 6 ARG HB2 2.600 . 3.400 2.767 2.336 3.032 . 0 0 "[ . 1 .]" 1
41 1 6 ARG HA 1 6 ARG QD 3.700 . 5.400 3.730 1.964 4.329 0.036 12 0 "[ . 1 .]" 1
42 1 6 ARG HB3 1 6 ARG QD 2.500 . 3.300 2.511 2.330 3.292 . 0 0 "[ . 1 .]" 1
43 1 6 ARG HB2 1 6 ARG QD 2.600 . 3.500 2.707 2.294 3.471 . 0 0 "[ . 1 .]" 1
44 1 7 ASP HA 1 7 ASP HB3 2.500 . 3.300 2.652 2.400 3.025 . 0 0 "[ . 1 .]" 1
45 1 7 ASP HA 1 7 ASP HB2 2.700 . 3.600 2.689 2.293 3.031 . 0 0 "[ . 1 .]" 1
46 1 8 THR HA 1 8 THR HB 2.400 . 3.100 2.631 2.510 2.958 . 0 0 "[ . 1 .]" 1
47 1 9 MET HA 1 87 TYR HB3 3.600 . 5.200 3.192 1.960 3.881 0.040 3 0 "[ . 1 .]" 1
48 1 9 MET HA 1 87 TYR QD 4.100 . 6.000 4.463 3.583 5.403 . 0 0 "[ . 1 .]" 1
49 1 9 MET HB3 1 10 PHE QD 3.400 . 4.800 3.787 2.561 5.533 0.733 12 1 "[ . 1 + .]" 1
50 1 9 MET HA 1 9 MET HB2 2.600 . 3.500 2.726 2.437 3.027 . 0 0 "[ . 1 .]" 1
51 1 9 MET HB2 1 10 PHE QD 4.000 . 6.000 4.058 2.079 5.274 . 0 0 "[ . 1 .]" 1
52 1 9 MET ME 1 10 PHE QD 3.400 . 4.800 3.921 2.891 4.682 . 0 0 "[ . 1 .]" 1
53 1 9 MET ME 1 10 PHE QE 3.300 . 4.700 2.970 1.903 3.947 . 0 0 "[ . 1 .]" 1
54 1 9 MET ME 1 87 TYR QD 3.200 . 4.500 3.397 2.186 4.550 0.050 12 0 "[ . 1 .]" 1
55 1 9 MET ME 1 87 TYR QE 3.400 . 4.800 4.198 3.504 4.894 0.094 15 0 "[ . 1 .]" 1
56 1 9 MET HG2 1 10 PHE QD 3.900 . 5.800 4.763 3.483 6.225 0.425 1 0 "[ . 1 .]" 1
57 1 9 MET HG2 1 87 TYR QD 4.000 . 6.000 4.258 3.121 5.544 . 0 0 "[ . 1 .]" 1
58 1 10 PHE HA 1 62 ARG QD 4.400 . 6.000 5.127 4.168 5.989 . 0 0 "[ . 1 .]" 1
59 1 10 PHE HA 1 10 PHE HB2 2.800 . 3.800 3.022 3.009 3.029 . 0 0 "[ . 1 .]" 1
60 1 10 PHE HA 1 10 PHE QD 2.600 . 3.400 2.630 2.291 3.083 . 0 0 "[ . 1 .]" 1
61 1 10 PHE HA 1 10 PHE QE 4.300 . 6.000 4.554 4.411 4.641 . 0 0 "[ . 1 .]" 1
62 1 10 PHE HA 1 85 LEU MD1 3.100 . 4.300 2.860 2.113 3.921 . 0 0 "[ . 1 .]" 1
63 1 10 PHE HA 1 85 LEU MD2 2.900 . 4.000 3.170 2.627 3.891 . 0 0 "[ . 1 .]" 1
64 1 10 PHE HA 1 87 TYR QD 3.800 . 5.600 3.524 3.094 4.231 . 0 0 "[ . 1 .]" 1
65 1 10 PHE HA 1 87 TYR QE 4.000 . 6.000 3.731 2.595 4.871 . 0 0 "[ . 1 .]" 1
66 1 10 PHE HB2 1 10 PHE QD 2.700 . 3.600 2.314 2.258 2.598 . 0 0 "[ . 1 .]" 1
67 1 10 PHE HB2 1 10 PHE QE 4.600 . 6.000 4.382 4.363 4.465 . 0 0 "[ . 1 .]" 1
68 1 10 PHE HB2 1 11 THR MG 4.000 . 6.000 3.317 3.074 3.537 . 0 0 "[ . 1 .]" 1
69 1 10 PHE HB3 1 10 PHE QD 2.600 . 3.400 2.505 2.277 2.671 . 0 0 "[ . 1 .]" 1
70 1 10 PHE HB3 1 10 PHE QE 4.700 . 6.000 4.435 4.380 4.480 . 0 0 "[ . 1 .]" 1
71 1 10 PHE HB3 1 11 THR MG 3.400 . 4.900 4.114 3.608 4.355 . 0 0 "[ . 1 .]" 1
72 1 10 PHE HB3 1 62 ARG QB 3.700 . 5.400 3.338 2.179 4.549 . 0 0 "[ . 1 .]" 1
73 1 11 THR HA 1 11 THR MG 2.300 . 3.000 2.274 2.208 2.344 . 0 0 "[ . 1 .]" 1
74 1 11 THR HA 1 11 THR HB 2.400 . 3.100 2.549 2.474 2.582 . 0 0 "[ . 1 .]" 1
75 1 11 THR HB 1 59 MET HB3 4.200 . 6.000 5.106 4.266 5.597 . 0 0 "[ . 1 .]" 1
76 1 11 THR HB 1 65 ALA MB 3.500 . 5.000 3.984 3.416 4.431 . 0 0 "[ . 1 .]" 1
77 1 11 THR MG 1 58 THR HA 4.400 . 6.000 5.104 4.788 5.454 . 0 0 "[ . 1 .]" 1
78 1 11 THR MG 1 62 ARG HA 2.400 . 3.100 2.876 2.249 3.183 0.083 11 0 "[ . 1 .]" 1
79 1 11 THR MG 1 62 ARG QD 3.500 . 5.000 4.119 2.573 5.059 0.059 8 0 "[ . 1 .]" 1
80 1 12 LYS HA 1 12 LYS QB 2.600 . 3.400 2.091 1.859 2.144 . 0 0 "[ . 1 .]" 1
81 1 12 LYS HA 1 12 LYS HB3 3.000 . 4.100 3.013 2.979 3.024 . 0 0 "[ . 1 .]" 1
82 1 12 LYS HA 1 12 LYS HB2 2.800 . 3.800 2.522 2.414 2.653 . 0 0 "[ . 1 .]" 1
83 1 12 LYS HA 1 12 LYS HG3 2.900 . 3.900 2.486 2.358 2.876 . 0 0 "[ . 1 .]" 1
84 1 12 LYS HA 1 56 PHE QD 4.800 . 6.000 4.984 4.405 5.402 . 0 0 "[ . 1 .]" 1
85 1 12 LYS HA 1 58 THR HA 2.300 . 2.900 2.381 1.959 2.705 . 0 0 "[ . 1 .]" 1
86 1 12 LYS HB3 1 58 THR HA 4.400 . 6.000 5.286 4.826 5.610 . 0 0 "[ . 1 .]" 1
87 1 12 LYS HB3 1 58 THR MG 3.800 . 5.600 4.741 4.034 5.383 . 0 0 "[ . 1 .]" 1
88 1 8 THR MG 1 12 LYS HB2 3.900 . 5.800 3.868 2.080 4.525 . 0 0 "[ . 1 .]" 1
89 1 12 LYS HB2 1 58 THR MG 2.900 . 4.000 3.374 2.576 4.035 0.035 5 0 "[ . 1 .]" 1
90 1 12 LYS HA 1 12 LYS QD 3.200 . 4.500 3.795 1.966 4.024 . 0 0 "[ . 1 .]" 1
91 1 12 LYS QD 1 12 LYS HG3 2.400 . 3.100 2.331 2.178 2.389 . 0 0 "[ . 1 .]" 1
92 1 12 LYS QD 1 56 PHE HB3 3.900 . 5.800 4.477 3.253 4.957 . 0 0 "[ . 1 .]" 1
93 1 12 LYS QD 1 56 PHE HB2 4.300 . 6.000 5.636 4.561 6.059 0.059 13 0 "[ . 1 .]" 1
94 1 12 LYS QD 1 56 PHE QD 3.800 . 5.600 4.034 2.935 4.738 . 0 0 "[ . 1 .]" 1
95 1 12 LYS QD 1 56 PHE QE 4.500 . 6.000 4.626 3.799 5.487 . 0 0 "[ . 1 .]" 1
96 1 12 LYS QD 1 58 THR HA 4.000 . 6.000 5.289 3.215 6.041 0.041 13 0 "[ . 1 .]" 1
97 1 12 LYS QD 1 12 LYS HE3 2.500 . 3.300 2.347 2.169 2.411 . 0 0 "[ . 1 .]" 1
98 1 12 LYS HE3 1 12 LYS HG3 3.300 . 4.600 2.730 2.405 3.706 . 0 0 "[ . 1 .]" 1
99 1 12 LYS HE3 1 56 PHE QD 3.400 . 4.900 3.400 2.467 4.951 0.051 8 0 "[ . 1 .]" 1
100 1 12 LYS HE3 1 56 PHE QE 4.300 . 6.000 4.331 3.132 5.642 . 0 0 "[ . 1 .]" 1
101 1 12 LYS HE3 1 86 ALA MB 4.500 . 6.000 4.265 1.892 5.041 0.108 10 0 "[ . 1 .]" 1
102 1 12 LYS QD 1 12 LYS HE2 2.600 . 3.400 2.316 2.171 2.403 . 0 0 "[ . 1 .]" 1
103 1 12 LYS HE2 1 12 LYS HG3 3.200 . 4.500 3.209 2.490 3.718 . 0 0 "[ . 1 .]" 1
104 1 12 LYS HE2 1 56 PHE QD 3.000 . 4.100 3.401 2.693 4.716 0.616 10 1 "[ . + .]" 1
105 1 12 LYS HE2 1 56 PHE QE 3.500 . 5.100 3.791 2.621 5.113 0.013 8 0 "[ . 1 .]" 1
106 1 12 LYS HE2 1 86 ALA MB 3.400 . 4.900 3.575 2.523 5.126 0.226 4 0 "[ . 1 .]" 1
107 1 12 LYS HG3 1 56 PHE QD 3.000 . 4.100 3.524 2.313 4.106 0.006 4 0 "[ . 1 .]" 1
108 1 12 LYS HG2 1 56 PHE QD 3.400 . 4.900 2.832 2.334 3.721 . 0 0 "[ . 1 .]" 1
109 1 13 ILE HA 1 13 ILE HB 2.800 . 3.800 3.024 3.021 3.030 . 0 0 "[ . 1 .]" 1
110 1 13 ILE HA 1 13 ILE MD 3.800 . 5.600 3.843 3.798 3.880 . 0 0 "[ . 1 .]" 1
111 1 13 ILE HA 1 85 LEU HA 2.300 . 3.000 2.411 2.135 2.747 . 0 0 "[ . 1 .]" 1
112 1 13 ILE HB 1 13 ILE MD 2.600 . 3.500 2.423 2.397 2.453 . 0 0 "[ . 1 .]" 1
113 1 13 ILE MD 1 31 PHE QD 3.200 . 4.400 3.080 2.582 3.656 . 0 0 "[ . 1 .]" 1
114 1 13 ILE MD 1 31 PHE QE 2.800 . 3.800 2.809 2.041 3.801 0.001 5 0 "[ . 1 .]" 1
115 1 13 ILE MD 1 31 PHE HZ 4.700 . 6.000 4.600 4.044 5.459 . 0 0 "[ . 1 .]" 1
116 1 13 ILE MD 1 34 PHE QD 5.000 . 6.000 5.259 4.856 5.841 . 0 0 "[ . 1 .]" 1
117 1 13 ILE MD 1 57 VAL HB 3.100 . 4.300 2.913 2.594 3.437 . 0 0 "[ . 1 .]" 1
118 1 13 ILE MD 1 59 MET HB2 3.700 . 5.400 3.972 3.489 4.326 . 0 0 "[ . 1 .]" 1
119 1 13 ILE MD 1 59 MET ME 3.400 . 4.900 3.848 3.493 4.134 . 0 0 "[ . 1 .]" 1
120 1 13 ILE MD 1 59 MET HG3 2.900 . 4.000 2.550 2.339 2.714 . 0 0 "[ . 1 .]" 1
121 1 13 ILE MD 1 65 ALA HA 2.400 . 3.100 2.089 1.691 2.419 0.009 14 0 "[ . 1 .]" 1
122 1 13 ILE MD 1 65 ALA MB 2.600 . 3.400 2.477 2.045 3.075 . 0 0 "[ . 1 .]" 1
123 1 13 ILE MD 1 68 ALA MB 2.200 . 2.800 2.154 1.888 2.461 . 0 0 "[ . 1 .]" 1
124 1 14 PHE HA 1 14 PHE QB 2.600 . 3.400 2.339 2.306 2.389 . 0 0 "[ . 1 .]" 1
125 1 14 PHE HA 1 14 PHE QD 2.700 . 3.600 2.815 2.640 2.967 . 0 0 "[ . 1 .]" 1
126 1 14 PHE HA 1 14 PHE QE 4.600 . 6.000 4.701 4.634 4.783 . 0 0 "[ . 1 .]" 1
127 1 14 PHE HA 1 56 PHE HA 2.800 . 3.800 2.922 2.636 3.098 . 0 0 "[ . 1 .]" 1
128 1 14 PHE HA 1 56 PHE QD 2.600 . 3.400 3.011 2.781 3.282 . 0 0 "[ . 1 .]" 1
129 1 14 PHE HA 1 56 PHE QE 3.400 . 4.800 3.673 3.426 3.847 . 0 0 "[ . 1 .]" 1
130 1 14 PHE HA 1 86 ALA MB 3.900 . 5.800 3.834 3.370 4.405 . 0 0 "[ . 1 .]" 1
131 1 14 PHE QB 1 56 PHE QD 3.500 . 5.100 3.542 3.120 3.955 . 0 0 "[ . 1 .]" 1
132 1 14 PHE QB 1 86 ALA HA 2.600 . 3.400 2.679 2.282 3.034 . 0 0 "[ . 1 .]" 1
133 1 14 PHE HB3 1 14 PHE QD 2.400 . 3.100 2.334 2.291 2.392 . 0 0 "[ . 1 .]" 1
134 1 14 PHE HB2 1 14 PHE QD 2.500 . 3.300 2.456 2.385 2.518 . 0 0 "[ . 1 .]" 1
135 1 14 PHE QD 1 56 PHE QE 2.600 . 3.500 2.351 1.950 2.802 . 0 0 "[ . 1 .]" 1
136 1 15 VAL HA 1 15 VAL HB 2.900 . 3.900 3.022 3.016 3.026 . 0 0 "[ . 1 .]" 1
137 1 14 PHE QD 1 16 GLY HA3 4.000 . 6.000 4.293 3.726 4.678 . 0 0 "[ . 1 .]" 1
138 1 14 PHE QE 1 16 GLY HA3 2.800 . 3.800 2.930 2.527 3.442 . 0 0 "[ . 1 .]" 1
139 1 14 PHE QE 1 16 GLY HA2 3.700 . 5.400 4.046 3.575 4.411 . 0 0 "[ . 1 .]" 1
140 1 16 GLY HA2 1 54 TYR HB3 2.900 . 4.000 2.335 1.956 2.610 . 0 0 "[ . 1 .]" 1
141 1 16 GLY HA2 1 54 TYR HB2 2.700 . 3.600 2.408 2.049 2.794 . 0 0 "[ . 1 .]" 1
142 1 16 GLY HA2 1 54 TYR QD 5.000 . 6.000 4.223 3.918 4.481 . 0 0 "[ . 1 .]" 1
143 1 17 GLY HA2 1 81 ALA MB 5.200 . 6.000 4.969 4.429 5.437 . 0 0 "[ . 1 .]" 1
144 1 18 LEU HA 1 18 LEU MD2 2.200 . 2.800 1.981 1.897 2.083 . 0 0 "[ . 1 .]" 1
145 1 18 LEU HA 1 19 PRO HD3 2.200 . 2.800 1.908 1.818 2.071 . 0 0 "[ . 1 .]" 1
146 1 18 LEU HA 1 19 PRO HD2 2.600 . 3.500 2.636 2.432 2.877 . 0 0 "[ . 1 .]" 1
147 1 18 LEU HA 1 19 PRO HG3 4.500 . 6.000 4.087 4.005 4.248 . 0 0 "[ . 1 .]" 1
148 1 18 LEU HA 1 19 PRO HG2 4.400 . 6.000 4.429 4.351 4.577 . 0 0 "[ . 1 .]" 1
149 1 18 LEU HA 1 79 ARG HB3 4.600 . 6.000 4.243 3.234 5.751 . 0 0 "[ . 1 .]" 1
150 1 18 LEU HA 1 18 LEU HB3 2.800 . 3.800 2.481 2.438 2.526 . 0 0 "[ . 1 .]" 1
151 1 18 LEU HB3 1 18 LEU MD1 2.500 . 3.300 2.365 2.329 2.419 . 0 0 "[ . 1 .]" 1
152 1 18 LEU HB3 1 18 LEU MD2 2.500 . 3.300 2.384 2.332 2.431 . 0 0 "[ . 1 .]" 1
153 1 18 LEU HB2 1 18 LEU MD1 2.500 . 3.300 2.342 2.296 2.375 . 0 0 "[ . 1 .]" 1
154 1 18 LEU HB2 1 18 LEU MD2 3.400 . 4.800 3.196 3.188 3.201 . 0 0 "[ . 1 .]" 1
155 1 18 LEU HB2 1 19 PRO HD3 5.300 . 6.000 4.575 4.338 4.731 . 0 0 "[ . 1 .]" 1
156 1 18 LEU HB2 1 53 GLY HA3 3.900 . 5.800 4.371 3.952 4.697 . 0 0 "[ . 1 .]" 1
157 1 18 LEU HB2 1 53 GLY HA2 3.100 . 4.300 3.186 2.609 3.514 . 0 0 "[ . 1 .]" 1
158 1 18 LEU HB2 1 54 TYR HA 3.200 . 4.500 2.800 2.413 3.399 . 0 0 "[ . 1 .]" 1
159 1 18 LEU HA 1 18 LEU MD1 3.800 . 5.600 3.848 3.810 3.907 . 0 0 "[ . 1 .]" 1
160 1 18 LEU MD1 1 19 PRO HD2 4.200 . 6.000 4.484 4.009 4.686 . 0 0 "[ . 1 .]" 1
161 1 18 LEU MD1 1 54 TYR HA 2.400 . 3.100 2.446 1.964 2.675 . 0 0 "[ . 1 .]" 1
162 1 18 LEU MD2 1 19 PRO HD2 3.000 . 4.100 3.104 2.850 3.378 . 0 0 "[ . 1 .]" 1
163 1 18 LEU MD2 1 22 THR HB 3.400 . 4.800 3.754 3.408 4.203 . 0 0 "[ . 1 .]" 1
164 1 18 LEU HB3 1 19 PRO HD3 3.300 . 4.700 3.592 3.145 3.879 . 0 0 "[ . 1 .]" 1
165 1 18 LEU MD1 1 19 PRO HD3 5.200 . 6.000 5.054 4.752 5.248 . 0 0 "[ . 1 .]" 1
166 1 18 LEU MD2 1 19 PRO HD3 3.400 . 4.800 3.081 2.925 3.235 . 0 0 "[ . 1 .]" 1
167 1 19 PRO HA 1 19 PRO HD3 3.700 . 5.400 3.779 3.663 3.859 . 0 0 "[ . 1 .]" 1
168 1 19 PRO HB2 1 19 PRO HD3 3.600 . 5.200 3.894 3.854 3.968 . 0 0 "[ . 1 .]" 1
169 1 19 PRO HD3 1 19 PRO HG3 2.400 . 3.100 2.313 2.294 2.327 . 0 0 "[ . 1 .]" 1
170 1 19 PRO HD3 1 19 PRO HG2 2.900 . 3.900 2.685 2.669 2.703 . 0 0 "[ . 1 .]" 1
171 1 19 PRO HD3 1 22 THR MG 4.900 . 6.000 4.471 4.190 4.754 . 0 0 "[ . 1 .]" 1
172 1 19 PRO HD3 1 77 ASP HB3 3.800 . 5.600 3.543 3.164 3.903 . 0 0 "[ . 1 .]" 1
173 1 18 LEU HB3 1 19 PRO HD2 2.600 . 3.400 2.857 2.325 3.141 . 0 0 "[ . 1 .]" 1
174 1 18 LEU HB2 1 19 PRO HD2 4.400 . 6.000 4.313 3.908 4.545 . 0 0 "[ . 1 .]" 1
175 1 19 PRO HA 1 19 PRO HD2 4.000 . 6.000 3.924 3.910 3.937 . 0 0 "[ . 1 .]" 1
176 1 19 PRO HB3 1 19 PRO HD2 4.200 . 6.000 3.889 3.855 3.920 . 0 0 "[ . 1 .]" 1
177 1 19 PRO HB2 1 19 PRO HD2 3.200 . 4.500 2.972 2.879 3.121 . 0 0 "[ . 1 .]" 1
178 1 19 PRO HD2 1 22 THR MG 3.700 . 5.400 3.280 2.801 3.593 . 0 0 "[ . 1 .]" 1
179 1 19 PRO HD2 1 77 ASP HB3 3.700 . 5.400 3.286 2.415 3.798 . 0 0 "[ . 1 .]" 1
180 1 20 TYR HA 1 20 TYR HB2 2.900 . 4.000 2.939 2.397 3.022 . 0 0 "[ . 1 .]" 1
181 1 20 TYR HA 1 20 TYR QE 4.500 . 6.000 4.748 4.415 4.823 . 0 0 "[ . 1 .]" 1
182 1 20 TYR HA 1 20 TYR HB3 2.400 . 3.100 2.464 2.353 3.022 . 0 0 "[ . 1 .]" 1
183 1 20 TYR HB3 1 20 TYR QD 2.800 . 3.800 2.399 2.278 2.523 . 0 0 "[ . 1 .]" 1
184 1 20 TYR HB3 1 51 SER HB3 4.300 . 6.000 4.182 2.465 6.771 0.771 6 1 "[ .+ 1 .]" 1
185 1 20 TYR HB2 1 20 TYR QD 2.700 . 3.600 2.401 2.317 2.616 . 0 0 "[ . 1 .]" 1
186 1 20 TYR HB2 1 20 TYR QE 4.800 . 6.000 4.410 4.384 4.457 . 0 0 "[ . 1 .]" 1
187 1 20 TYR HA 1 20 TYR QD 2.600 . 3.400 2.865 2.329 3.047 . 0 0 "[ . 1 .]" 1
188 1 20 TYR QD 1 51 SER HB3 3.700 . 5.400 3.905 2.367 5.157 . 0 0 "[ . 1 .]" 1
189 1 20 TYR QE 1 21 HIS HD2 2.800 . 6.000 6.091 6.016 6.231 0.231 12 0 "[ . 1 .]" 1
190 1 21 HIS HA 1 21 HIS HB3 2.500 . 3.300 2.422 2.333 2.512 . 0 0 "[ . 1 .]" 1
191 1 21 HIS HA 1 21 HIS HB2 2.700 . 3.600 2.661 2.402 3.009 . 0 0 "[ . 1 .]" 1
192 1 21 HIS HB3 1 21 HIS HD2 3.400 . 4.800 3.314 2.808 3.865 . 0 0 "[ . 1 .]" 1
193 1 20 TYR QD 1 21 HIS HB2 5.200 . 6.000 6.292 4.860 6.844 0.844 12 7 "[** . *-*+ *]" 1
194 1 21 HIS HB2 1 21 HIS HD2 3.400 . 4.800 3.448 2.688 3.968 . 0 0 "[ . 1 .]" 1
195 1 19 PRO HB3 1 21 HIS HE1 4.300 . 6.000 5.761 5.303 6.039 0.039 13 0 "[ . 1 .]" 1
196 1 19 PRO HB2 1 21 HIS HE1 4.000 . 6.000 5.351 4.463 6.057 0.057 8 0 "[ . 1 .]" 1
197 1 21 HIS HD2 1 22 THR HA 3.000 . 6.000 5.804 5.048 6.134 0.134 13 0 "[ . 1 .]" 1
198 1 22 THR HA 1 22 THR HB 2.800 . 3.800 3.027 3.016 3.032 . 0 0 "[ . 1 .]" 1
199 1 22 THR HA 1 26 THR MG 3.300 . 4.600 3.039 2.374 3.956 . 0 0 "[ . 1 .]" 1
200 1 18 LEU HB3 1 22 THR HB 2.600 . 3.500 2.452 2.146 2.926 . 0 0 "[ . 1 .]" 1
201 1 18 LEU HB2 1 22 THR HB 3.600 . 5.200 3.735 3.204 4.099 . 0 0 "[ . 1 .]" 1
202 1 18 LEU MD1 1 22 THR HB 3.000 . 4.100 3.308 3.002 3.589 . 0 0 "[ . 1 .]" 1
203 1 22 THR HB 1 22 THR MG 2.200 . 2.800 2.137 2.134 2.142 . 0 0 "[ . 1 .]" 1
204 1 22 THR HA 1 22 THR MG 2.200 . 2.800 2.391 2.296 2.424 . 0 0 "[ . 1 .]" 1
205 1 22 THR MG 1 77 ASP HB3 3.800 . 5.600 4.621 3.462 5.534 . 0 0 "[ . 1 .]" 1
206 1 22 THR MG 1 77 ASP HB2 3.500 . 5.100 4.019 3.174 5.007 . 0 0 "[ . 1 .]" 1
207 1 22 THR MG 1 23 SER HA 3.900 . 5.800 4.019 3.887 4.279 . 0 0 "[ . 1 .]" 1
208 1 23 SER HA 1 23 SER HB3 2.200 . 2.800 2.422 2.384 2.469 . 0 0 "[ . 1 .]" 1
209 1 23 SER HA 1 23 SER HB2 2.500 . 3.300 3.025 3.018 3.031 . 0 0 "[ . 1 .]" 1
210 1 23 SER HA 1 42 VAL HB 3.500 . 5.000 2.958 2.325 3.489 . 0 0 "[ . 1 .]" 1
211 1 24 ASP HA 1 24 ASP HB3 2.300 . 3.000 2.406 2.344 2.467 . 0 0 "[ . 1 .]" 1
212 1 24 ASP HA 1 24 ASP HB2 2.600 . 3.400 2.547 2.459 3.024 . 0 0 "[ . 1 .]" 1
213 1 25 LYS HA 1 28 HIS HB3 2.700 . 3.600 2.549 2.299 2.819 . 0 0 "[ . 1 .]" 1
214 1 25 LYS HA 1 28 HIS HB2 3.500 . 5.000 3.519 3.193 4.144 . 0 0 "[ . 1 .]" 1
215 1 25 LYS HA 1 25 LYS HB3 2.300 . 3.000 2.433 2.381 2.504 . 0 0 "[ . 1 .]" 1
216 1 25 LYS HA 1 25 LYS HB2 2.400 . 3.100 2.463 2.399 2.517 . 0 0 "[ . 1 .]" 1
217 1 22 THR MG 1 26 THR HA 4.300 . 6.000 4.457 4.260 4.860 . 0 0 "[ . 1 .]" 1
218 1 26 THR HA 1 26 THR HB 2.400 . 3.100 3.016 2.997 3.028 . 0 0 "[ . 1 .]" 1
219 1 26 THR HA 1 26 THR MG 2.300 . 3.000 2.288 2.229 2.374 . 0 0 "[ . 1 .]" 1
220 1 26 THR HA 1 29 GLU HB3 2.700 . 3.600 2.880 2.412 3.346 . 0 0 "[ . 1 .]" 1
221 1 18 LEU MD2 1 27 LEU HA 2.900 . 6.000 4.500 3.953 4.902 . 0 0 "[ . 1 .]" 1
222 1 26 THR MG 1 27 LEU HA 3.200 . 4.500 3.882 3.691 4.166 . 0 0 "[ . 1 .]" 1
223 1 27 LEU HA 1 27 LEU HB2 2.200 . 2.800 2.522 2.471 2.596 . 0 0 "[ . 1 .]" 1
224 1 27 LEU HA 1 30 TYR HB3 3.100 . 4.300 3.402 2.734 3.808 . 0 0 "[ . 1 .]" 1
225 1 27 LEU HA 1 31 PHE QD 3.400 . 4.900 3.413 3.105 3.821 . 0 0 "[ . 1 .]" 1
226 1 27 LEU HA 1 76 ILE MD 3.700 . 5.400 3.957 3.346 4.510 . 0 0 "[ . 1 .]" 1
227 1 22 THR MG 1 27 LEU HB3 3.900 . 5.800 4.496 4.319 4.767 . 0 0 "[ . 1 .]" 1
228 1 24 ASP HA 1 27 LEU HB3 2.800 . 3.800 3.137 2.891 3.526 . 0 0 "[ . 1 .]" 1
229 1 27 LEU HA 1 27 LEU HB3 3.000 . 4.100 3.016 3.003 3.025 . 0 0 "[ . 1 .]" 1
230 1 27 LEU HB3 1 27 LEU MD1 2.900 . 4.000 3.192 3.185 3.198 . 0 0 "[ . 1 .]" 1
231 1 27 LEU HB3 1 27 LEU MD2 2.400 . 3.100 2.323 2.272 2.404 . 0 0 "[ . 1 .]" 1
232 1 27 LEU HB3 1 31 PHE QD 4.200 . 6.000 4.983 4.677 5.328 . 0 0 "[ . 1 .]" 1
233 1 27 LEU HB3 1 40 ALA MB 2.900 . 4.000 3.045 2.704 3.299 . 0 0 "[ . 1 .]" 1
234 1 22 THR MG 1 27 LEU HB2 2.800 . 3.800 3.166 3.002 3.430 . 0 0 "[ . 1 .]" 1
235 1 27 LEU HB2 1 27 LEU MD1 2.400 . 3.100 2.374 2.323 2.440 . 0 0 "[ . 1 .]" 1
236 1 27 LEU HB2 1 27 LEU MD2 2.300 . 2.900 2.356 2.299 2.405 . 0 0 "[ . 1 .]" 1
237 1 24 ASP HA 1 27 LEU HG 3.600 . 6.000 5.472 5.196 5.863 . 0 0 "[ . 1 .]" 1
238 1 27 LEU HG 1 40 ALA MB 3.000 . 4.100 3.110 2.568 3.846 . 0 0 "[ . 1 .]" 1
239 1 27 LEU HA 1 27 LEU MD1 2.300 . 2.900 1.945 1.813 2.074 . 0 0 "[ . 1 .]" 1
240 1 27 LEU MD1 1 31 PHE QD 2.800 . 3.800 2.760 2.593 2.973 . 0 0 "[ . 1 .]" 1
241 1 27 LEU MD1 1 31 PHE QE 2.400 . 3.100 2.172 1.955 2.385 . 0 0 "[ . 1 .]" 1
242 1 27 LEU MD1 1 31 PHE HZ 4.100 . 6.000 3.711 3.601 3.909 . 0 0 "[ . 1 .]" 1
243 1 27 LEU HA 1 27 LEU MD2 3.300 . 4.700 3.836 3.777 3.879 . 0 0 "[ . 1 .]" 1
244 1 27 LEU MD2 1 31 PHE QD 4.100 . 6.000 4.543 4.291 4.722 . 0 0 "[ . 1 .]" 1
245 1 27 LEU MD2 1 31 PHE QE 3.600 . 5.300 4.331 4.030 4.710 . 0 0 "[ . 1 .]" 1
246 1 27 LEU HG 1 31 PHE QD 3.400 . 4.800 3.240 2.817 3.544 . 0 0 "[ . 1 .]" 1
247 1 28 HIS HA 1 28 HIS HB3 2.800 . 3.800 3.029 3.018 3.033 . 0 0 "[ . 1 .]" 1
248 1 28 HIS HA 1 28 HIS HB2 2.400 . 3.100 2.455 2.380 2.506 . 0 0 "[ . 1 .]" 1
249 1 28 HIS HA 1 28 HIS HD2 3.400 . 4.800 3.033 2.841 3.321 . 0 0 "[ . 1 .]" 1
250 1 28 HIS HA 1 31 PHE QD 4.100 . 6.000 4.401 4.101 4.834 . 0 0 "[ . 1 .]" 1
251 1 28 HIS HA 1 37 ILE MD 2.400 . 3.100 2.398 2.253 2.719 . 0 0 "[ . 1 .]" 1
252 1 28 HIS HA 1 40 ALA MB 2.500 . 3.300 2.572 2.249 2.794 . 0 0 "[ . 1 .]" 1
253 1 25 LYS HA 1 28 HIS QB 2.700 . 3.600 2.490 2.259 2.775 . 0 0 "[ . 1 .]" 1
254 1 28 HIS HA 1 28 HIS QB 2.400 . 3.100 2.355 2.297 2.393 . 0 0 "[ . 1 .]" 1
255 1 28 HIS QB 1 37 ILE MD 3.800 . 5.600 3.612 3.461 3.870 . 0 0 "[ . 1 .]" 1
256 1 28 HIS QB 1 40 ALA MB 2.600 . 3.400 2.242 1.920 2.586 . 0 0 "[ . 1 .]" 1
257 1 28 HIS HB3 1 28 HIS HD2 3.400 . 4.800 3.933 3.871 3.967 . 0 0 "[ . 1 .]" 1
258 1 28 HIS HB2 1 28 HIS HD2 3.300 . 4.700 2.905 2.757 3.091 . 0 0 "[ . 1 .]" 1
259 1 28 HIS HE1 1 37 ILE MD 4.000 . 6.000 4.478 3.787 5.166 . 0 0 "[ . 1 .]" 1
260 1 29 GLU HA 1 29 GLU HB3 2.500 . 3.300 3.018 2.972 3.027 . 0 0 "[ . 1 .]" 1
261 1 29 GLU HA 1 29 GLU HB2 2.500 . 3.300 2.485 2.391 2.681 . 0 0 "[ . 1 .]" 1
262 1 29 GLU HA 1 29 GLU HG2 2.800 . 3.800 3.212 2.359 3.834 0.034 1 0 "[ . 1 .]" 1
263 1 29 GLU HB3 1 29 GLU HG2 2.600 . 3.400 2.483 2.308 3.005 . 0 0 "[ . 1 .]" 1
264 1 26 THR HA 1 29 GLU HB2 2.900 . 3.900 3.319 2.452 3.896 . 0 0 "[ . 1 .]" 1
265 1 29 GLU HB2 1 29 GLU HG2 2.800 . 3.800 2.813 2.455 3.010 . 0 0 "[ . 1 .]" 1
266 1 26 THR HA 1 29 GLU HG3 4.000 . 6.000 5.217 4.046 5.905 . 0 0 "[ . 1 .]" 1
267 1 29 GLU HA 1 29 GLU HG3 2.600 . 3.400 2.818 2.430 3.632 0.232 11 0 "[ . 1 .]" 1
268 1 26 THR HA 1 29 GLU HG2 3.900 . 5.800 4.868 3.726 6.007 0.207 11 0 "[ . 1 .]" 1
269 1 30 TYR HA 1 30 TYR HB2 2.600 . 3.400 2.489 2.437 2.532 . 0 0 "[ . 1 .]" 1
270 1 30 TYR HA 1 30 TYR QD 2.900 . 3.900 2.671 2.566 2.812 . 0 0 "[ . 1 .]" 1
271 1 30 TYR HA 1 30 TYR QE 4.100 . 6.000 4.556 4.454 4.642 . 0 0 "[ . 1 .]" 1
272 1 30 TYR HB3 1 30 TYR QD 2.700 . 3.600 2.327 2.298 2.374 . 0 0 "[ . 1 .]" 1
273 1 30 TYR HB3 1 31 PHE QD 3.200 . 4.500 2.539 2.233 3.194 . 0 0 "[ . 1 .]" 1
274 1 30 TYR HB2 1 30 TYR QD 2.800 . 3.800 2.501 2.432 2.550 . 0 0 "[ . 1 .]" 1
275 1 30 TYR HB2 1 31 PHE QD 5.300 . 6.000 4.241 3.941 4.836 . 0 0 "[ . 1 .]" 1
276 1 30 TYR QD 1 31 PHE QD 3.300 . 4.600 2.823 1.966 3.164 0.034 11 0 "[ . 1 .]" 1
277 1 30 TYR QD 1 31 PHE QE 3.400 . 4.800 2.867 2.335 3.147 . 0 0 "[ . 1 .]" 1
278 1 30 TYR QD 1 34 PHE QE 3.500 . 5.000 3.192 2.722 3.739 . 0 0 "[ . 1 .]" 1
279 1 30 TYR HB3 1 30 TYR QE 4.400 . 6.000 4.400 4.385 4.414 . 0 0 "[ . 1 .]" 1
280 1 30 TYR HB2 1 30 TYR QE 4.300 . 6.000 4.444 4.420 4.464 . 0 0 "[ . 1 .]" 1
281 1 30 TYR QE 1 31 PHE QD 4.300 . 6.000 4.701 3.955 5.085 . 0 0 "[ . 1 .]" 1
282 1 30 TYR QE 1 31 PHE QE 3.500 . 5.100 4.046 3.100 4.527 . 0 0 "[ . 1 .]" 1
283 1 30 TYR QE 1 34 PHE QE 2.800 . 3.800 3.052 2.651 3.558 . 0 0 "[ . 1 .]" 1
284 1 30 TYR QE 1 34 PHE HZ 3.400 . 4.800 3.608 3.019 4.286 . 0 0 "[ . 1 .]" 1
285 1 30 TYR QE 1 74 PRO HB2 3.500 . 5.100 3.091 2.646 3.517 . 0 0 "[ . 1 .]" 1
286 1 64 SER HA 1 67 ARG HB3 3.100 . 4.300 3.110 2.392 4.272 . 0 0 "[ . 1 .]" 1
287 1 30 TYR QD 1 31 PHE HA 3.400 . 4.900 3.561 3.220 3.808 . 0 0 "[ . 1 .]" 1
288 1 30 TYR QE 1 31 PHE HA 4.300 . 6.000 4.888 4.380 5.207 . 0 0 "[ . 1 .]" 1
289 1 31 PHE HA 1 31 PHE QD 2.900 . 3.900 2.974 2.563 3.060 . 0 0 "[ . 1 .]" 1
290 1 31 PHE HA 1 34 PHE QD 2.300 . 3.000 1.873 1.586 2.198 0.014 9 0 "[ . 1 .]" 1
291 1 31 PHE HA 1 34 PHE QE 2.800 . 3.800 2.754 2.438 3.223 . 0 0 "[ . 1 .]" 1
292 1 31 PHE HA 1 37 ILE MD 3.900 . 5.800 3.897 3.787 4.091 . 0 0 "[ . 1 .]" 1
293 1 31 PHE HA 1 31 PHE HB3 2.700 . 3.600 2.600 2.556 2.652 . 0 0 "[ . 1 .]" 1
294 1 31 PHE HB3 1 31 PHE QD 2.500 . 3.300 2.323 2.267 2.469 . 0 0 "[ . 1 .]" 1
295 1 31 PHE HA 1 31 PHE HB2 3.000 . 4.100 2.989 2.964 3.001 . 0 0 "[ . 1 .]" 1
296 1 31 PHE HB2 1 31 PHE QD 2.600 . 3.500 2.472 2.292 2.653 . 0 0 "[ . 1 .]" 1
297 1 31 PHE HB2 1 34 PHE QD 4.300 . 6.000 4.468 4.321 4.637 . 0 0 "[ . 1 .]" 1
298 1 31 PHE QD 1 33 GLN QB 4.000 . 6.000 5.911 5.632 6.234 0.234 5 0 "[ . 1 .]" 1
299 1 31 PHE QD 1 34 PHE QD 2.800 . 3.800 3.261 2.380 3.607 . 0 0 "[ . 1 .]" 1
300 1 31 PHE QD 1 34 PHE QE 3.500 . 5.000 4.022 2.658 4.390 . 0 0 "[ . 1 .]" 1
301 1 15 VAL HB 1 31 PHE HZ 4.200 . 6.000 4.698 4.371 4.980 . 0 0 "[ . 1 .]" 1
302 1 30 TYR QE 1 31 PHE HZ 3.500 . 5.100 4.415 3.681 5.062 . 0 0 "[ . 1 .]" 1
303 1 32 GLU HA 1 32 GLU HB3 2.800 . 3.800 2.981 2.414 3.027 . 0 0 "[ . 1 .]" 1
304 1 32 GLU HA 1 32 GLU HB2 2.500 . 3.300 2.507 2.452 2.574 . 0 0 "[ . 1 .]" 1
305 1 32 GLU HA 1 32 GLU HG3 3.100 . 4.300 2.715 2.403 3.673 . 0 0 "[ . 1 .]" 1
306 1 32 GLU HA 1 37 ILE MD 2.400 . 3.100 2.499 2.246 2.728 . 0 0 "[ . 1 .]" 1
307 1 32 GLU HA 1 59 MET ME 3.400 . 4.900 3.717 3.355 4.243 . 0 0 "[ . 1 .]" 1
308 1 32 GLU HB3 1 32 GLU HG3 2.700 . 3.600 2.976 2.658 3.012 . 0 0 "[ . 1 .]" 1
309 1 32 GLU HB3 1 37 ILE MD 3.800 . 5.600 3.826 2.359 4.388 . 0 0 "[ . 1 .]" 1
310 1 32 GLU HB2 1 32 GLU HG2 2.600 . 3.400 2.978 2.666 3.012 . 0 0 "[ . 1 .]" 1
311 1 32 GLU HA 1 32 GLU HG2 3.100 . 4.300 2.959 2.334 3.849 . 0 0 "[ . 1 .]" 1
312 1 32 GLU HG2 1 37 ILE MD 3.300 . 4.600 4.448 3.626 4.632 0.032 2 0 "[ . 1 .]" 1
313 1 33 GLN HA 1 33 GLN HG3 3.200 . 4.400 3.338 2.701 3.864 . 0 0 "[ . 1 .]" 1
314 1 33 GLN HG3 1 34 PHE QD 3.900 . 5.800 4.258 3.302 5.231 . 0 0 "[ . 1 .]" 1
315 1 33 GLN HG3 1 34 PHE QE 4.000 . 6.000 4.351 3.564 5.260 . 0 0 "[ . 1 .]" 1
316 1 33 GLN HG3 1 34 PHE HZ 4.200 . 6.000 5.131 4.115 6.025 0.025 12 0 "[ . 1 .]" 1
317 1 33 GLN HG2 1 34 PHE QD 3.600 . 5.200 4.477 3.003 5.757 0.557 3 2 "[ -+ . 1 .]" 1
318 1 33 GLN HG2 1 34 PHE QE 3.600 . 5.200 4.337 3.215 5.556 0.356 2 0 "[ . 1 .]" 1
319 1 33 GLN HG2 1 34 PHE HZ 4.400 . 6.000 5.044 4.244 6.097 0.097 3 0 "[ . 1 .]" 1
320 1 34 PHE HA 1 34 PHE HB3 2.700 . 3.600 2.442 2.389 2.506 . 0 0 "[ . 1 .]" 1
321 1 34 PHE HA 1 34 PHE QD 2.500 . 3.300 2.689 2.435 2.872 . 0 0 "[ . 1 .]" 1
322 1 34 PHE HB3 1 34 PHE QD 2.600 . 3.400 2.481 2.401 2.589 . 0 0 "[ . 1 .]" 1
323 1 34 PHE HB2 1 34 PHE QD 2.600 . 3.400 2.318 2.263 2.364 . 0 0 "[ . 1 .]" 1
324 1 34 PHE HB2 1 59 MET ME 2.700 . 3.600 2.709 2.298 3.134 . 0 0 "[ . 1 .]" 1
325 1 34 PHE HB2 1 67 ARG HB3 4.200 . 6.000 4.304 3.635 4.801 . 0 0 "[ . 1 .]" 1
326 1 35 GLY HA2 1 59 MET ME 4.100 . 6.000 4.011 3.685 4.448 . 0 0 "[ . 1 .]" 1
327 1 36 ASP HA 1 36 ASP HB2 2.600 . 3.500 2.825 2.403 3.029 . 0 0 "[ . 1 .]" 1
328 1 36 ASP HA 1 36 ASP HB3 2.700 . 3.600 2.632 2.376 3.026 . 0 0 "[ . 1 .]" 1
329 1 37 ILE HA 1 37 ILE MD 3.600 . 5.200 3.865 3.788 3.934 . 0 0 "[ . 1 .]" 1
330 1 37 ILE HA 1 59 MET HA 2.100 . 2.600 2.251 1.793 2.555 . 0 0 "[ . 1 .]" 1
331 1 28 HIS HD2 1 37 ILE HB 3.400 . 4.800 2.487 2.158 2.932 . 0 0 "[ . 1 .]" 1
332 1 37 ILE HA 1 37 ILE HB 2.700 . 3.600 3.025 3.021 3.029 . 0 0 "[ . 1 .]" 1
333 1 37 ILE HB 1 37 ILE MD 2.400 . 3.100 2.407 2.341 2.484 . 0 0 "[ . 1 .]" 1
334 1 37 ILE HB 1 59 MET HA 4.900 . 6.000 5.055 4.547 5.508 . 0 0 "[ . 1 .]" 1
335 1 28 HIS HB3 1 37 ILE MD 4.000 . 6.000 4.400 4.236 4.638 . 0 0 "[ . 1 .]" 1
336 1 28 HIS HB2 1 37 ILE MD 3.900 . 5.800 3.843 3.623 4.145 . 0 0 "[ . 1 .]" 1
337 1 28 HIS HD2 1 37 ILE MD 3.200 . 4.500 2.336 1.874 2.716 0.026 12 0 "[ . 1 .]" 1
338 1 31 PHE HB3 1 37 ILE MD 2.600 . 3.400 2.458 2.303 2.692 . 0 0 "[ . 1 .]" 1
339 1 31 PHE HB2 1 37 ILE MD 2.400 . 3.100 2.307 2.110 2.532 . 0 0 "[ . 1 .]" 1
340 1 31 PHE QD 1 37 ILE MD 3.900 . 5.800 3.901 3.702 4.064 . 0 0 "[ . 1 .]" 1
341 1 32 GLU HB2 1 37 ILE MD 2.900 . 4.000 2.709 2.255 3.673 . 0 0 "[ . 1 .]" 1
342 1 32 GLU HG3 1 37 ILE MD 2.700 . 3.600 3.697 3.468 4.447 0.847 1 1 "[+ . 1 .]" 1
343 1 34 PHE QD 1 37 ILE MD 4.500 . 6.000 4.757 4.552 4.967 . 0 0 "[ . 1 .]" 1
344 1 37 ILE MD 1 59 MET ME 3.000 . 4.100 3.333 2.591 3.716 . 0 0 "[ . 1 .]" 1
345 1 38 GLU HA 1 38 GLU HB3 2.400 . 3.100 2.494 2.431 2.566 . 0 0 "[ . 1 .]" 1
346 1 38 GLU HA 1 38 GLU HB2 2.800 . 3.800 3.020 3.014 3.032 . 0 0 "[ . 1 .]" 1
347 1 38 GLU HA 1 58 THR MG 4.700 . 6.000 5.226 4.797 5.654 . 0 0 "[ . 1 .]" 1
348 1 38 GLU HB3 1 58 THR HB 3.700 . 5.400 3.975 3.338 4.462 . 0 0 "[ . 1 .]" 1
349 1 38 GLU HB3 1 58 THR MG 3.600 . 5.200 3.783 3.219 4.375 . 0 0 "[ . 1 .]" 1
350 1 38 GLU HB2 1 58 THR HB 2.600 . 3.400 2.661 2.068 3.120 . 0 0 "[ . 1 .]" 1
351 1 38 GLU HB2 1 58 THR MG 2.400 . 3.100 2.661 2.279 3.109 0.009 3 0 "[ . 1 .]" 1
352 1 38 GLU HA 1 38 GLU QG 2.600 . 3.500 2.580 2.314 3.026 . 0 0 "[ . 1 .]" 1
353 1 38 GLU HB3 1 38 GLU QG 2.400 . 3.100 2.384 2.324 2.458 . 0 0 "[ . 1 .]" 1
354 1 38 GLU HB2 1 38 GLU QG 2.200 . 2.800 2.231 2.150 2.343 . 0 0 "[ . 1 .]" 1
355 1 38 GLU QG 1 58 THR MG 2.900 . 4.000 3.365 2.446 4.079 0.079 5 0 "[ . 1 .]" 1
356 1 38 GLU QG 1 60 LYS HA 2.500 . 3.300 2.374 1.800 3.207 . 0 0 "[ . 1 .]" 1
357 1 39 GLU HA 1 39 GLU HG3 2.600 . 3.400 2.672 2.466 3.333 . 0 0 "[ . 1 .]" 1
358 1 39 GLU HA 1 39 GLU HG2 2.900 . 3.900 3.198 2.773 3.876 . 0 0 "[ . 1 .]" 1
359 1 39 GLU HA 1 40 ALA MB 4.100 . 6.000 4.032 3.948 4.101 . 0 0 "[ . 1 .]" 1
360 1 39 GLU HA 1 39 GLU QB 2.300 . 3.000 2.361 2.283 2.414 . 0 0 "[ . 1 .]" 1
361 1 39 GLU QB 1 39 GLU HG3 2.300 . 3.000 2.343 2.141 2.460 . 0 0 "[ . 1 .]" 1
362 1 39 GLU QB 1 40 ALA HA 4.100 . 6.000 4.498 4.394 4.596 . 0 0 "[ . 1 .]" 1
363 1 39 GLU QB 1 58 THR HB 2.600 . 3.400 2.363 1.862 3.278 . 0 0 "[ . 1 .]" 1
364 1 24 ASP HA 1 40 ALA MB 3.200 . 6.000 4.353 4.041 5.069 . 0 0 "[ . 1 .]" 1
365 1 24 ASP HB2 1 40 ALA MB 3.800 . 5.600 4.289 3.727 5.531 . 0 0 "[ . 1 .]" 1
366 1 28 HIS HB3 1 40 ALA MB 3.700 . 5.400 3.741 3.465 4.096 . 0 0 "[ . 1 .]" 1
367 1 28 HIS HB2 1 40 ALA MB 2.600 . 3.400 2.260 1.929 2.614 . 0 0 "[ . 1 .]" 1
368 1 28 HIS HD2 1 40 ALA MB 2.300 . 3.000 2.576 1.958 3.068 0.068 5 0 "[ . 1 .]" 1
369 1 31 PHE QD 1 40 ALA MB 4.400 . 6.000 4.734 4.325 5.061 . 0 0 "[ . 1 .]" 1
370 1 40 ALA HA 1 40 ALA MB 2.100 . 2.600 2.132 2.128 2.135 . 0 0 "[ . 1 .]" 1
371 1 41 VAL HA 1 41 VAL HB 2.300 . 3.000 2.471 2.447 2.508 . 0 0 "[ . 1 .]" 1
372 1 18 LEU MD1 1 42 VAL HA 3.900 . 5.800 3.900 3.344 4.368 . 0 0 "[ . 1 .]" 1
373 1 42 VAL HA 1 42 VAL HB 2.900 . 3.900 3.037 3.032 3.046 . 0 0 "[ . 1 .]" 1
374 1 42 VAL HB 1 44 THR MG 3.300 . 4.700 4.154 3.708 4.631 . 0 0 "[ . 1 .]" 1
375 1 43 ILE HA 1 43 ILE HB 3.000 . 4.100 3.021 3.016 3.024 . 0 0 "[ . 1 .]" 1
376 1 43 ILE HB 1 54 TYR QE 3.100 . 4.300 2.987 2.550 3.403 . 0 0 "[ . 1 .]" 1
377 1 43 ILE HA 1 43 ILE MD 2.100 . 2.700 2.006 1.929 2.104 . 0 0 "[ . 1 .]" 1
378 1 43 ILE HB 1 43 ILE MD 3.600 . 5.300 3.238 3.232 3.244 . 0 0 "[ . 1 .]" 1
379 1 43 ILE MD 1 54 TYR QD 4.500 . 6.000 4.890 4.636 5.269 . 0 0 "[ . 1 .]" 1
380 1 43 ILE MD 1 54 TYR QE 4.200 . 6.000 3.974 3.700 4.438 . 0 0 "[ . 1 .]" 1
381 1 43 ILE MD 1 55 GLY HA3 4.600 . 6.000 5.378 4.942 5.799 . 0 0 "[ . 1 .]" 1
382 1 43 ILE MD 1 55 GLY HA2 4.300 . 6.000 4.151 3.738 4.515 . 0 0 "[ . 1 .]" 1
383 1 43 ILE MD 1 56 PHE QD 2.800 . 3.800 2.543 2.171 3.074 . 0 0 "[ . 1 .]" 1
384 1 43 ILE MD 1 56 PHE QE 3.600 . 5.300 3.566 3.147 4.125 . 0 0 "[ . 1 .]" 1
385 1 44 THR HA 1 51 SER HA 2.100 . 2.700 2.376 1.972 2.702 0.002 7 0 "[ . 1 .]" 1
386 1 44 THR HA 1 44 THR HB 2.200 . 2.800 2.553 2.480 2.623 . 0 0 "[ . 1 .]" 1
387 1 44 THR HA 1 44 THR MG 2.300 . 2.900 2.273 2.224 2.340 . 0 0 "[ . 1 .]" 1
388 1 44 THR HA 1 52 ARG QG 2.800 . 3.800 3.122 2.605 3.679 . 0 0 "[ . 1 .]" 1
389 1 44 THR HB 1 49 GLN HA 2.500 . 3.300 2.621 2.183 3.305 0.005 11 0 "[ . 1 .]" 1
390 1 44 THR HB 1 51 SER HA 3.400 . 4.900 4.249 3.668 4.747 . 0 0 "[ . 1 .]" 1
391 1 44 THR HB 1 44 THR MG 2.100 . 2.600 2.134 2.130 2.138 . 0 0 "[ . 1 .]" 1
392 1 44 THR MG 1 51 SER HA 2.200 . 2.800 2.517 2.008 2.840 0.040 15 0 "[ . 1 .]" 1
393 1 45 ASP HA 1 45 ASP HB2 2.500 . 3.300 2.463 2.329 3.021 . 0 0 "[ . 1 .]" 1
394 1 45 ASP HA 1 45 ASP HB3 2.600 . 3.500 2.961 2.490 3.030 . 0 0 "[ . 1 .]" 1
395 1 46 ARG HA 1 46 ARG QB 2.200 . 2.800 2.375 2.310 2.452 . 0 0 "[ . 1 .]" 1
396 1 46 ARG QB 1 46 ARG QD 2.600 . 3.500 2.378 2.100 2.873 . 0 0 "[ . 1 .]" 1
397 1 46 ARG HA 1 46 ARG QG 2.500 . 3.300 2.545 2.314 3.076 . 0 0 "[ . 1 .]" 1
398 1 46 ARG QD 1 46 ARG QG 2.200 . 2.800 2.031 1.987 2.095 . 0 0 "[ . 1 .]" 1
399 1 47 ASN HA 1 47 ASN HB3 2.700 . 3.600 2.603 2.386 3.023 . 0 0 "[ . 1 .]" 1
400 1 47 ASN HA 1 47 ASN HB2 2.700 . 3.600 2.919 2.449 3.032 . 0 0 "[ . 1 .]" 1
401 1 47 ASN HB3 1 48 THR MG 2.900 . 3.900 3.238 2.709 3.706 . 0 0 "[ . 1 .]" 1
402 1 47 ASN HB2 1 48 THR MG 3.100 . 4.300 3.259 2.646 4.321 0.021 1 0 "[ . 1 .]" 1
403 1 48 THR HA 1 48 THR MG 2.200 . 2.800 2.290 2.219 2.339 . 0 0 "[ . 1 .]" 1
404 1 48 THR HB 1 48 THR MG 2.100 . 2.600 2.134 2.126 2.138 . 0 0 "[ . 1 .]" 1
405 1 48 THR HB 1 50 LYS HB2 4.000 . 6.000 3.499 2.848 5.231 . 0 0 "[ . 1 .]" 1
406 1 48 THR HB 1 50 LYS QG 2.700 . 3.600 2.571 1.873 3.572 . 0 0 "[ . 1 .]" 1
407 1 44 THR MG 1 49 GLN HA 3.200 . 4.500 3.971 3.609 4.525 0.025 11 0 "[ . 1 .]" 1
408 1 49 GLN HA 1 49 GLN QB 2.400 . 3.100 2.421 2.169 2.472 . 0 0 "[ . 1 .]" 1
409 1 49 GLN HA 1 49 GLN QG 2.600 . 3.400 2.764 2.613 3.370 . 0 0 "[ . 1 .]" 1
410 1 44 THR HB 1 49 GLN QB 3.900 . 5.800 3.941 3.470 4.346 . 0 0 "[ . 1 .]" 1
411 1 44 THR MG 1 49 GLN QB 3.800 . 5.600 4.164 3.523 4.661 . 0 0 "[ . 1 .]" 1
412 1 48 THR HA 1 49 GLN QB 3.800 . 5.600 4.179 4.027 4.713 . 0 0 "[ . 1 .]" 1
413 1 49 GLN QB 1 49 GLN QG 2.000 . 2.500 2.008 1.989 2.084 . 0 0 "[ . 1 .]" 1
414 1 44 THR MG 1 50 LYS HA 3.400 . 4.800 3.465 2.770 4.447 . 0 0 "[ . 1 .]" 1
415 1 50 LYS HA 1 50 LYS QG 2.500 . 3.300 2.690 2.256 3.353 0.053 1 0 "[ . 1 .]" 1
416 1 50 LYS HA 1 50 LYS HB3 2.500 . 3.300 2.503 2.391 2.692 . 0 0 "[ . 1 .]" 1
417 1 50 LYS HA 1 50 LYS HB2 2.600 . 3.400 2.981 2.463 3.031 . 0 0 "[ . 1 .]" 1
418 1 50 LYS HA 1 50 LYS QD 3.400 . 4.900 3.266 1.933 4.270 . 0 0 "[ . 1 .]" 1
419 1 50 LYS HE3 1 50 LYS QG 3.000 . 4.100 2.658 2.293 3.513 . 0 0 "[ . 1 .]" 1
420 1 50 LYS HE2 1 50 LYS QG 3.000 . 4.200 3.058 2.318 3.487 . 0 0 "[ . 1 .]" 1
421 1 51 SER HA 1 51 SER HB3 2.500 . 3.300 2.740 2.304 3.032 . 0 0 "[ . 1 .]" 1
422 1 20 TYR HB2 1 51 SER HB3 5.000 . 6.000 5.257 3.904 6.867 0.867 6 2 "[ - .+ 1 .]" 1
423 1 20 TYR QE 1 51 SER HB3 5.000 . 6.000 5.632 4.435 6.951 0.951 8 4 "[-* . +*1 .]" 1
424 1 44 THR MG 1 51 SER HB3 4.200 . 6.000 4.321 2.852 5.143 . 0 0 "[ . 1 .]" 1
425 1 20 TYR QD 1 51 SER HB2 3.500 . 5.100 4.177 2.697 5.156 0.056 14 0 "[ . 1 .]" 1
426 1 44 THR MG 1 51 SER HB2 4.000 . 6.000 3.969 2.945 4.745 . 0 0 "[ . 1 .]" 1
427 1 51 SER HA 1 51 SER HB2 2.600 . 3.400 2.694 2.429 3.031 . 0 0 "[ . 1 .]" 1
428 1 20 TYR QE 1 52 ARG HA 3.400 . 6.000 4.708 3.413 6.031 0.031 11 0 "[ . 1 .]" 1
429 1 52 ARG HB3 1 52 ARG HD3 3.400 . 4.800 2.596 2.186 3.332 . 0 0 "[ . 1 .]" 1
430 1 52 ARG HB3 1 52 ARG HD2 3.600 . 5.200 3.376 2.841 3.880 . 0 0 "[ . 1 .]" 1
431 1 52 ARG HB3 1 54 TYR QD 3.600 . 5.200 3.427 2.751 4.200 . 0 0 "[ . 1 .]" 1
432 1 52 ARG HA 1 52 ARG HB2 3.000 . 4.100 3.009 2.972 3.026 . 0 0 "[ . 1 .]" 1
433 1 52 ARG HB2 1 52 ARG HD3 3.400 . 4.800 2.868 2.351 3.538 . 0 0 "[ . 1 .]" 1
434 1 52 ARG HB2 1 54 TYR QE 3.000 . 4.100 3.116 2.293 3.660 . 0 0 "[ . 1 .]" 1
435 1 52 ARG HD2 1 54 TYR QE 3.400 . 4.900 4.030 1.627 5.461 0.561 12 1 "[ . 1 + .]" 1
436 1 52 ARG QG 1 54 TYR QE 4.200 . 6.000 3.962 3.401 4.443 . 0 0 "[ . 1 .]" 1
437 1 18 LEU HB3 1 53 GLY HA3 4.800 . 6.000 5.745 5.161 6.052 0.052 2 0 "[ . 1 .]" 1
438 1 18 LEU MD1 1 53 GLY HA3 5.000 . 6.000 5.706 5.232 6.039 0.039 2 0 "[ . 1 .]" 1
439 1 20 TYR QD 1 53 GLY HA3 4.100 . 6.000 5.096 3.669 5.839 . 0 0 "[ . 1 .]" 1
440 1 20 TYR QE 1 53 GLY HA3 3.700 . 5.400 5.088 3.926 5.465 0.065 15 0 "[ . 1 .]" 1
441 1 18 LEU HB3 1 53 GLY HA2 3.800 . 5.600 4.310 3.863 4.564 . 0 0 "[ . 1 .]" 1
442 1 18 LEU MD1 1 53 GLY HA2 4.300 . 6.000 4.769 4.227 5.139 . 0 0 "[ . 1 .]" 1
443 1 20 TYR QD 1 53 GLY HA2 3.700 . 5.400 4.784 4.077 5.331 . 0 0 "[ . 1 .]" 1
444 1 20 TYR QE 1 53 GLY HA2 3.100 . 6.000 5.345 4.290 5.984 . 0 0 "[ . 1 .]" 1
445 1 14 PHE QE 1 54 TYR HA 4.100 . 6.000 5.460 4.716 5.858 . 0 0 "[ . 1 .]" 1
446 1 16 GLY HA3 1 54 TYR HA 4.300 . 6.000 4.347 3.977 4.757 . 0 0 "[ . 1 .]" 1
447 1 16 GLY HA2 1 54 TYR HA 2.900 . 3.900 2.603 2.271 3.018 . 0 0 "[ . 1 .]" 1
448 1 18 LEU HB3 1 54 TYR HA 4.000 . 6.000 4.349 4.029 4.836 . 0 0 "[ . 1 .]" 1
449 1 18 LEU MD2 1 54 TYR HA 3.100 . 4.300 4.337 4.262 4.408 0.108 10 0 "[ . 1 .]" 1
450 1 54 TYR HA 1 54 TYR HB3 2.500 . 3.300 2.483 2.443 2.567 . 0 0 "[ . 1 .]" 1
451 1 54 TYR HA 1 54 TYR HB2 2.400 . 3.100 2.433 2.359 2.474 . 0 0 "[ . 1 .]" 1
452 1 54 TYR HA 1 54 TYR QD 3.600 . 5.300 3.742 3.729 3.747 . 0 0 "[ . 1 .]" 1
453 1 14 PHE QE 1 54 TYR HB3 3.300 . 4.700 4.038 3.587 4.588 . 0 0 "[ . 1 .]" 1
454 1 54 TYR HB3 1 54 TYR QD 2.700 . 3.600 2.360 2.297 2.464 . 0 0 "[ . 1 .]" 1
455 1 14 PHE QD 1 54 TYR HB2 4.000 . 6.000 4.401 4.021 4.848 . 0 0 "[ . 1 .]" 1
456 1 14 PHE QE 1 54 TYR HB2 3.200 . 4.500 3.389 2.467 3.828 . 0 0 "[ . 1 .]" 1
457 1 14 PHE QD 1 54 TYR QD 3.100 . 4.300 3.954 3.041 4.339 0.039 4 0 "[ . 1 .]" 1
458 1 14 PHE QE 1 54 TYR QD 2.700 . 3.600 3.100 2.355 3.506 . 0 0 "[ . 1 .]" 1
459 1 43 ILE HB 1 54 TYR QD 3.500 . 5.000 3.877 3.448 4.340 . 0 0 "[ . 1 .]" 1
460 1 52 ARG HB2 1 54 TYR QD 3.300 . 4.700 3.648 2.309 4.186 . 0 0 "[ . 1 .]" 1
461 1 54 TYR HB2 1 54 TYR QD 2.600 . 3.500 2.450 2.326 2.534 . 0 0 "[ . 1 .]" 1
462 1 54 TYR QD 1 56 PHE QE 3.900 . 5.800 3.361 2.828 3.811 . 0 0 "[ . 1 .]" 1
463 1 52 ARG HA 1 54 TYR QE 3.100 . 6.000 4.829 4.508 5.146 . 0 0 "[ . 1 .]" 1
464 1 52 ARG HB3 1 54 TYR QE 2.800 . 3.800 2.526 2.117 2.913 . 0 0 "[ . 1 .]" 1
465 1 54 TYR QE 1 56 PHE QE 2.600 . 3.400 1.937 1.744 2.263 0.056 15 0 "[ . 1 .]" 1
466 1 27 LEU MD1 1 55 GLY HA3 4.100 . 6.000 3.632 3.102 4.455 . 0 0 "[ . 1 .]" 1
467 1 18 LEU MD1 1 55 GLY HA3 3.600 . 5.200 2.853 2.524 3.390 . 0 0 "[ . 1 .]" 1
468 1 54 TYR QD 1 55 GLY HA3 4.500 . 6.000 4.431 4.260 4.691 . 0 0 "[ . 1 .]" 1
469 1 54 TYR QE 1 55 GLY HA3 5.300 . 6.000 6.108 6.010 6.205 0.205 2 0 "[ . 1 .]" 1
470 1 55 GLY HA3 1 56 PHE QD 4.800 . 6.000 4.940 4.521 5.117 . 0 0 "[ . 1 .]" 1
471 1 18 LEU MD1 1 55 GLY HA2 4.000 . 6.000 3.846 3.543 4.299 . 0 0 "[ . 1 .]" 1
472 1 54 TYR QD 1 55 GLY HA2 3.700 . 5.400 3.209 2.999 3.716 . 0 0 "[ . 1 .]" 1
473 1 55 GLY HA2 1 56 PHE QD 4.200 . 6.000 3.634 3.208 3.815 . 0 0 "[ . 1 .]" 1
474 1 12 LYS HG2 1 56 PHE HA 4.400 . 6.000 5.117 4.468 6.505 0.505 1 1 "[+ . 1 .]" 1
475 1 14 PHE QD 1 56 PHE HA 4.100 . 6.000 4.566 4.037 4.840 . 0 0 "[ . 1 .]" 1
476 1 56 PHE HA 1 56 PHE HB3 2.700 . 3.600 2.550 2.504 2.612 . 0 0 "[ . 1 .]" 1
477 1 56 PHE HA 1 56 PHE HB2 3.000 . 4.100 3.019 3.003 3.032 . 0 0 "[ . 1 .]" 1
478 1 56 PHE HA 1 56 PHE QD 2.600 . 3.400 2.857 2.742 3.017 . 0 0 "[ . 1 .]" 1
479 1 56 PHE HA 1 56 PHE QE 4.300 . 6.000 4.567 4.516 4.651 . 0 0 "[ . 1 .]" 1
480 1 56 PHE HB3 1 56 PHE QD 2.600 . 3.400 2.418 2.352 2.457 . 0 0 "[ . 1 .]" 1
481 1 56 PHE HB3 1 56 PHE QE 4.600 . 6.000 4.412 4.392 4.424 . 0 0 "[ . 1 .]" 1
482 1 56 PHE HB2 1 56 PHE QD 2.500 . 3.300 2.355 2.315 2.423 . 0 0 "[ . 1 .]" 1
483 1 12 LYS QD 1 56 PHE QD 3.200 . 4.400 2.356 2.074 2.777 . 0 0 "[ . 1 .]" 1
484 1 14 PHE QB 1 56 PHE QE 3.800 . 5.600 2.821 2.474 3.258 . 0 0 "[ . 1 .]" 1
485 1 40 ALA HA 1 57 VAL HA 2.100 . 2.600 2.360 2.068 2.514 . 0 0 "[ . 1 .]" 1
486 1 40 ALA MB 1 57 VAL HA 2.500 . 3.300 2.955 2.444 3.274 . 0 0 "[ . 1 .]" 1
487 1 56 PHE HA 1 57 VAL HA 4.100 . 6.000 4.400 4.386 4.411 . 0 0 "[ . 1 .]" 1
488 1 57 VAL HA 1 57 VAL HB 3.000 . 4.200 3.025 3.018 3.030 . 0 0 "[ . 1 .]" 1
489 1 13 ILE HB 1 57 VAL HB 2.600 . 3.400 2.161 1.890 2.552 . 0 0 "[ . 1 .]" 1
490 1 11 THR HB 1 58 THR HA 3.600 . 5.200 3.712 3.309 4.177 . 0 0 "[ . 1 .]" 1
491 1 12 LYS HB2 1 58 THR HA 4.300 . 6.000 4.343 3.807 4.724 . 0 0 "[ . 1 .]" 1
492 1 12 LYS HG2 1 58 THR HA 2.900 . 6.000 5.193 4.255 5.978 . 0 0 "[ . 1 .]" 1
493 1 12 LYS HA 1 58 THR HB 4.300 . 6.000 4.803 4.298 5.255 . 0 0 "[ . 1 .]" 1
494 1 39 GLU HG3 1 58 THR HB 3.000 . 6.000 5.244 4.642 6.150 0.150 11 0 "[ . 1 .]" 1
495 1 58 THR HA 1 58 THR HB 2.900 . 3.900 3.027 3.023 3.033 . 0 0 "[ . 1 .]" 1
496 1 58 THR HB 1 58 THR MG 2.100 . 2.600 2.137 2.134 2.142 . 0 0 "[ . 1 .]" 1
497 1 37 ILE MD 1 59 MET HA 4.200 . 6.000 4.859 4.513 5.123 . 0 0 "[ . 1 .]" 1
498 1 59 MET HA 1 59 MET HB3 2.300 . 3.000 2.444 2.310 2.485 . 0 0 "[ . 1 .]" 1
499 1 59 MET HA 1 59 MET ME 2.800 . 3.800 3.073 2.819 3.597 . 0 0 "[ . 1 .]" 1
500 1 59 MET HA 1 59 MET HG3 3.700 . 5.400 3.697 3.295 3.787 . 0 0 "[ . 1 .]" 1
501 1 31 PHE HB2 1 59 MET ME 3.900 . 5.800 4.686 3.539 5.155 . 0 0 "[ . 1 .]" 1
502 1 31 PHE QD 1 59 MET ME 3.300 . 4.700 3.907 3.155 4.711 0.011 5 0 "[ . 1 .]" 1
503 1 34 PHE HB3 1 59 MET ME 3.100 . 4.300 3.514 2.951 4.091 . 0 0 "[ . 1 .]" 1
504 1 34 PHE QD 1 59 MET ME 3.200 . 4.400 4.016 3.090 4.411 0.011 7 0 "[ . 1 .]" 1
505 1 35 GLY HA3 1 59 MET ME 2.800 . 3.800 2.885 2.461 3.422 . 0 0 "[ . 1 .]" 1
506 1 37 ILE HA 1 59 MET ME 3.300 . 4.700 3.502 3.167 3.941 . 0 0 "[ . 1 .]" 1
507 1 59 MET HB3 1 59 MET ME 2.200 . 2.800 2.091 1.991 2.186 . 0 0 "[ . 1 .]" 1
508 1 59 MET ME 1 59 MET HG3 2.700 . 3.600 2.655 2.450 3.395 . 0 0 "[ . 1 .]" 1
509 1 59 MET ME 1 64 SER HA 3.300 . 4.700 3.894 3.491 4.457 . 0 0 "[ . 1 .]" 1
510 1 59 MET ME 1 64 SER HB3 2.300 . 3.000 2.798 1.942 3.678 0.678 7 4 "[ *-. +* 1 .]" 1
511 1 59 MET ME 1 64 SER HB2 3.000 . 4.100 2.609 1.951 3.591 . 0 0 "[ . 1 .]" 1
512 1 59 MET ME 1 68 ALA MB 2.700 . 3.600 3.102 2.604 3.614 0.014 13 0 "[ . 1 .]" 1
513 1 13 ILE MD 1 59 MET HG2 3.000 . 4.100 2.652 2.115 3.779 . 0 0 "[ . 1 .]" 1
514 1 60 LYS HA 1 60 LYS QG 2.900 . 3.900 3.268 2.526 3.473 . 0 0 "[ . 1 .]" 1
515 1 61 ASP HA 1 62 ARG QB 4.700 . 6.000 4.464 4.144 5.037 . 0 0 "[ . 1 .]" 1
516 1 11 THR MG 1 61 ASP HA 2.600 . 3.500 2.724 2.149 3.312 . 0 0 "[ . 1 .]" 1
517 1 61 ASP HA 1 61 ASP HB3 2.500 . 3.300 2.749 2.425 3.030 . 0 0 "[ . 1 .]" 1
518 1 61 ASP HA 1 61 ASP HB2 2.400 . 3.100 2.488 2.230 3.016 . 0 0 "[ . 1 .]" 1
519 1 10 PHE HB2 1 62 ARG QB 3.400 . 4.900 3.606 2.058 5.266 0.366 11 0 "[ . 1 .]" 1
520 1 10 PHE QD 1 62 ARG QB 4.100 . 6.000 4.575 3.187 5.796 . 0 0 "[ . 1 .]" 1
521 1 11 THR MG 1 62 ARG QB 3.200 . 4.500 3.531 2.834 4.492 . 0 0 "[ . 1 .]" 1
522 1 62 ARG QB 1 62 ARG QD 2.600 . 3.400 2.278 2.126 2.406 . 0 0 "[ . 1 .]" 1
523 1 10 PHE HB3 1 62 ARG QD 3.200 . 4.500 3.043 2.089 4.101 . 0 0 "[ . 1 .]" 1
524 1 10 PHE QD 1 62 ARG QD 3.300 . 4.600 3.700 3.060 4.611 0.011 6 0 "[ . 1 .]" 1
525 1 62 ARG HA 1 62 ARG QD 3.400 . 4.800 3.723 2.022 4.508 . 0 0 "[ . 1 .]" 1
526 1 62 ARG QD 1 62 ARG HG3 2.600 . 3.400 2.298 2.150 2.504 . 0 0 "[ . 1 .]" 1
527 1 62 ARG QD 1 62 ARG HG2 2.500 . 3.300 2.311 2.168 2.481 . 0 0 "[ . 1 .]" 1
528 1 10 PHE HB3 1 62 ARG HG3 3.500 . 5.100 4.017 2.061 5.414 0.314 12 0 "[ . 1 .]" 1
529 1 10 PHE HB3 1 62 ARG HG2 3.700 . 5.400 4.039 2.267 5.398 . 0 0 "[ . 1 .]" 1
530 1 62 ARG HA 1 62 ARG HG2 3.100 . 4.300 3.205 2.380 3.830 . 0 0 "[ . 1 .]" 1
531 1 63 ALA HA 1 63 ALA MB 2.100 . 2.700 2.129 2.124 2.133 . 0 0 "[ . 1 .]" 1
532 1 35 GLY HA3 1 64 SER HB3 3.000 . 4.100 2.776 2.163 3.219 . 0 0 "[ . 1 .]" 1
533 1 64 SER HA 1 64 SER HB3 2.500 . 3.300 2.398 2.328 2.466 . 0 0 "[ . 1 .]" 1
534 1 35 GLY HA3 1 64 SER HB2 3.600 . 5.300 3.525 2.123 4.922 . 0 0 "[ . 1 .]" 1
535 1 64 SER HA 1 64 SER HB2 2.800 . 3.800 2.842 2.519 3.033 . 0 0 "[ . 1 .]" 1
536 1 59 MET HB2 1 65 ALA HA 3.600 . 5.200 3.294 2.740 4.001 . 0 0 "[ . 1 .]" 1
537 1 59 MET HG3 1 65 ALA HA 2.400 . 3.100 2.077 1.640 3.132 0.060 9 0 "[ . 1 .]" 1
538 1 65 ALA HA 1 65 ALA MB 2.200 . 2.800 2.127 2.124 2.131 . 0 0 "[ . 1 .]" 1
539 1 66 GLU HA 1 66 GLU HG2 3.300 . 4.600 2.977 2.348 4.170 . 0 0 "[ . 1 .]" 1
540 1 66 GLU HB3 1 66 GLU HG2 2.500 . 3.300 2.490 2.228 3.008 . 0 0 "[ . 1 .]" 1
541 1 63 ALA HA 1 66 GLU HG3 3.600 . 5.200 3.355 2.394 3.942 . 0 0 "[ . 1 .]" 1
542 1 66 GLU HA 1 66 GLU HG3 2.900 . 4.000 3.342 2.946 3.806 . 0 0 "[ . 1 .]" 1
543 1 63 ALA HA 1 66 GLU HG2 3.100 . 4.300 3.943 1.961 5.231 0.931 2 6 "[ +* . * **- .]" 1
544 1 34 PHE QD 1 67 ARG HA 4.200 . 6.000 4.632 4.106 4.997 . 0 0 "[ . 1 .]" 1
545 1 67 ARG HA 1 67 ARG HB3 2.900 . 4.000 2.892 2.491 3.032 . 0 0 "[ . 1 .]" 1
546 1 67 ARG HA 1 67 ARG HB2 2.200 . 2.800 2.615 2.415 2.991 0.191 12 0 "[ . 1 .]" 1
547 1 67 ARG HA 1 67 ARG QD 4.300 . 6.000 3.997 3.832 4.206 . 0 0 "[ . 1 .]" 1
548 1 34 PHE QD 1 67 ARG HB3 3.200 . 4.500 3.457 1.974 4.418 . 0 0 "[ . 1 .]" 1
549 1 67 ARG HB3 1 67 ARG QD 3.400 . 4.100 2.470 2.255 3.101 . 0 0 "[ . 1 .]" 1
550 1 34 PHE QD 1 67 ARG HB2 3.700 . 5.400 4.543 3.037 5.362 . 0 0 "[ . 1 .]" 1
551 1 34 PHE HA 1 67 ARG QD 3.100 . 4.300 3.056 2.398 4.131 . 0 0 "[ . 1 .]" 1
552 1 34 PHE QD 1 67 ARG QD 3.300 . 4.700 3.457 2.828 4.328 . 0 0 "[ . 1 .]" 1
553 1 67 ARG HB2 1 67 ARG QD 2.900 . 3.100 2.411 2.284 2.975 . 0 0 "[ . 1 .]" 1
554 1 34 PHE QD 1 67 ARG HG3 4.400 . 6.000 4.052 3.293 5.112 . 0 0 "[ . 1 .]" 1
555 1 67 ARG HA 1 67 ARG HG3 2.600 . 3.400 2.663 2.425 3.006 . 0 0 "[ . 1 .]" 1
556 1 34 PHE QD 1 67 ARG HG2 3.000 . 4.200 2.735 1.782 4.222 0.022 13 0 "[ . 1 .]" 1
557 1 67 ARG HA 1 67 ARG HG2 2.500 . 3.300 2.961 2.484 3.338 0.038 7 0 "[ . 1 .]" 1
558 1 13 ILE MD 1 68 ALA HA 4.600 . 6.000 4.632 4.321 4.902 . 0 0 "[ . 1 .]" 1
559 1 30 TYR QE 1 68 ALA HA 4.400 . 6.000 5.738 4.994 6.067 0.067 11 0 "[ . 1 .]" 1
560 1 31 PHE QD 1 68 ALA HA 4.300 . 6.000 4.351 3.454 4.999 . 0 0 "[ . 1 .]" 1
561 1 31 PHE QE 1 68 ALA HA 4.200 . 6.000 4.463 3.704 4.957 . 0 0 "[ . 1 .]" 1
562 1 34 PHE HB3 1 68 ALA HA 3.900 . 5.800 3.498 2.827 4.541 . 0 0 "[ . 1 .]" 1
563 1 34 PHE HB2 1 68 ALA HA 4.100 . 6.000 3.903 3.363 4.772 . 0 0 "[ . 1 .]" 1
564 1 34 PHE QD 1 68 ALA HA 3.000 . 4.100 3.118 2.817 3.663 . 0 0 "[ . 1 .]" 1
565 1 34 PHE QE 1 68 ALA HA 3.100 . 4.300 3.457 3.143 3.896 . 0 0 "[ . 1 .]" 1
566 1 34 PHE HZ 1 68 ALA HA 3.500 . 5.100 4.172 3.415 4.862 . 0 0 "[ . 1 .]" 1
567 1 68 ALA HA 1 68 ALA MB 2.300 . 2.900 2.129 2.124 2.133 . 0 0 "[ . 1 .]" 1
568 1 30 TYR QD 1 68 ALA MB 3.700 . 5.400 5.161 4.955 5.353 . 0 0 "[ . 1 .]" 1
569 1 30 TYR QE 1 68 ALA MB 3.400 . 6.000 5.163 4.919 5.531 . 0 0 "[ . 1 .]" 1
570 1 31 PHE QD 1 68 ALA MB 2.300 . 3.000 2.163 1.782 2.576 . 0 0 "[ . 1 .]" 1
571 1 31 PHE QE 1 68 ALA MB 2.400 . 3.100 2.317 1.938 2.861 . 0 0 "[ . 1 .]" 1
572 1 31 PHE HZ 1 68 ALA MB 4.300 . 6.000 4.249 3.851 4.849 . 0 0 "[ . 1 .]" 1
573 1 34 PHE HB3 1 68 ALA MB 2.900 . 4.000 2.974 2.373 3.831 . 0 0 "[ . 1 .]" 1
574 1 34 PHE HB2 1 68 ALA MB 2.900 . 3.900 2.628 2.224 3.227 . 0 0 "[ . 1 .]" 1
575 1 34 PHE QD 1 68 ALA MB 2.600 . 3.400 2.904 2.612 3.223 . 0 0 "[ . 1 .]" 1
576 1 34 PHE QE 1 68 ALA MB 3.200 . 4.500 3.773 3.405 4.254 . 0 0 "[ . 1 .]" 1
577 1 59 MET HG3 1 68 ALA MB 3.200 . 4.500 3.556 2.865 4.356 . 0 0 "[ . 1 .]" 1
578 1 59 MET HG2 1 68 ALA MB 3.600 . 5.200 4.269 3.775 4.698 . 0 0 "[ . 1 .]" 1
579 1 65 ALA HA 1 68 ALA MB 2.500 . 3.300 2.955 2.675 3.236 . 0 0 "[ . 1 .]" 1
580 1 69 CYS HA 1 69 CYS HB2 2.700 . 3.600 2.605 2.455 3.025 . 0 0 "[ . 1 .]" 1
581 1 66 GLU HA 1 69 CYS HB3 3.300 . 4.700 3.050 1.976 4.513 . 0 0 "[ . 1 .]" 1
582 1 69 CYS HA 1 69 CYS HB3 2.800 . 3.800 2.788 2.387 3.029 . 0 0 "[ . 1 .]" 1
583 1 66 GLU HA 1 69 CYS HB2 3.200 . 4.500 3.245 2.060 4.657 0.157 10 0 "[ . 1 .]" 1
584 1 70 LYS HA 1 70 LYS HB2 2.500 . 3.300 2.834 2.310 3.024 . 0 0 "[ . 1 .]" 1
585 1 70 LYS HA 1 70 LYS HG3 3.200 . 4.500 3.530 3.022 3.742 . 0 0 "[ . 1 .]" 1
586 1 70 LYS HA 1 70 LYS HG2 3.100 . 4.300 3.109 2.302 3.958 . 0 0 "[ . 1 .]" 1
587 1 70 LYS HA 1 70 LYS QD 2.600 . 3.500 2.146 1.735 3.694 0.194 10 0 "[ . 1 .]" 1
588 1 67 ARG HA 1 70 LYS QG 2.800 . 3.800 2.760 1.912 3.928 0.128 3 0 "[ . 1 .]" 1
589 1 70 LYS HA 1 70 LYS QG 2.800 . 3.800 2.828 2.257 3.251 . 0 0 "[ . 1 .]" 1
590 1 71 ASP HA 1 71 ASP HB3 2.600 . 3.400 2.908 2.575 3.026 . 0 0 "[ . 1 .]" 1
591 1 71 ASP HA 1 71 ASP HB2 3.000 . 4.100 2.692 2.518 3.016 . 0 0 "[ . 1 .]" 1
592 1 71 ASP HA 1 72 PRO HA 3.600 . 5.200 4.495 4.422 4.593 . 0 0 "[ . 1 .]" 1
593 1 71 ASP HA 1 72 PRO HB2 5.500 . 6.000 5.388 5.107 5.521 . 0 0 "[ . 1 .]" 1
594 1 71 ASP HA 1 72 PRO HD3 2.400 . 3.100 2.255 1.835 2.493 . 0 0 "[ . 1 .]" 1
595 1 71 ASP HA 1 72 PRO HD2 2.300 . 2.900 2.206 1.949 2.665 . 0 0 "[ . 1 .]" 1
596 1 71 ASP HA 1 72 PRO QG 4.300 . 6.000 3.825 3.709 3.931 . 0 0 "[ . 1 .]" 1
597 1 71 ASP HB3 1 72 PRO HD3 4.500 . 6.000 4.831 4.507 5.126 . 0 0 "[ . 1 .]" 1
598 1 72 PRO HA 1 72 PRO HB3 2.400 . 3.100 2.286 2.264 2.301 . 0 0 "[ . 1 .]" 1
599 1 72 PRO HA 1 72 PRO QG 3.500 . 5.100 3.381 3.013 3.516 . 0 0 "[ . 1 .]" 1
600 1 72 PRO HA 1 83 VAL HB 2.700 . 3.600 2.911 2.276 3.614 0.014 10 0 "[ . 1 .]" 1
601 1 72 PRO HB3 1 72 PRO HD3 3.300 . 4.700 3.285 2.956 4.063 . 0 0 "[ . 1 .]" 1
602 1 72 PRO HD3 1 72 PRO QG 2.600 . 3.400 2.217 2.188 2.240 . 0 0 "[ . 1 .]" 1
603 1 72 PRO HB3 1 72 PRO HD2 3.800 . 5.600 3.875 3.856 3.893 . 0 0 "[ . 1 .]" 1
604 1 72 PRO HB2 1 72 PRO HD2 4.100 . 6.000 3.742 2.919 4.054 . 0 0 "[ . 1 .]" 1
605 1 72 PRO HD2 1 72 PRO QG 2.500 . 3.300 2.203 2.178 2.259 . 0 0 "[ . 1 .]" 1
606 1 73 ASN HA 1 73 ASN HB3 2.600 . 3.400 2.593 2.521 2.855 . 0 0 "[ . 1 .]" 1
607 1 73 ASN HA 1 74 PRO HD3 2.700 . 3.600 2.406 2.056 2.845 . 0 0 "[ . 1 .]" 1
608 1 73 ASN HA 1 74 PRO HD2 2.300 . 3.000 2.542 2.134 2.789 . 0 0 "[ . 1 .]" 1
609 1 73 ASN HA 1 74 PRO QG 4.800 . 6.000 4.033 3.873 4.130 . 0 0 "[ . 1 .]" 1
610 1 73 ASN HA 1 81 ALA MB 4.100 . 6.000 4.224 4.050 4.489 . 0 0 "[ . 1 .]" 1
611 1 73 ASN HA 1 82 ASN HA 2.600 . 3.500 3.104 2.483 3.494 . 0 0 "[ . 1 .]" 1
612 1 73 ASN HA 1 73 ASN HB2 2.900 . 3.900 2.999 2.842 3.024 . 0 0 "[ . 1 .]" 1
613 1 74 PRO HA 1 74 PRO HB3 2.500 . 3.300 2.282 2.255 2.324 . 0 0 "[ . 1 .]" 1
614 1 74 PRO HA 1 74 PRO HD2 3.800 . 5.600 3.952 3.870 4.087 . 0 0 "[ . 1 .]" 1
615 1 30 TYR QE 1 74 PRO HB3 4.200 . 6.000 3.133 2.225 4.319 . 0 0 "[ . 1 .]" 1
616 1 74 PRO HB3 1 74 PRO HD3 3.400 . 4.900 3.643 3.059 4.011 . 0 0 "[ . 1 .]" 1
617 1 74 PRO HB2 1 74 PRO HD3 3.500 . 5.100 4.003 3.961 4.050 . 0 0 "[ . 1 .]" 1
618 1 74 PRO HB2 1 74 PRO HD2 3.700 . 5.400 3.478 3.066 4.011 . 0 0 "[ . 1 .]" 1
619 1 74 PRO HD2 1 74 PRO QG 2.900 . 3.900 2.214 2.174 2.249 . 0 0 "[ . 1 .]" 1
620 1 74 PRO HD2 1 76 ILE MD 4.600 . 6.000 4.037 3.434 4.961 . 0 0 "[ . 1 .]" 1
621 1 30 TYR QE 1 74 PRO QG 3.600 . 5.300 3.012 2.684 3.345 . 0 0 "[ . 1 .]" 1
622 1 75 ILE HA 1 75 ILE HB 2.800 . 3.800 3.025 3.018 3.029 . 0 0 "[ . 1 .]" 1
623 1 75 ILE HA 1 75 ILE MD 2.400 . 3.100 2.027 1.962 2.113 . 0 0 "[ . 1 .]" 1
624 1 75 ILE HB 1 75 ILE MD 3.300 . 4.700 3.238 3.230 3.250 . 0 0 "[ . 1 .]" 1
625 1 75 ILE MD 1 80 LYS QB 3.000 . 4.100 2.289 1.858 2.588 0.042 14 0 "[ . 1 .]" 1
626 1 75 ILE MD 1 80 LYS HA 2.400 . 3.100 2.244 2.003 2.573 . 0 0 "[ . 1 .]" 1
627 1 75 ILE MD 1 80 LYS HB2 3.100 . 4.300 2.944 2.448 4.093 . 0 0 "[ . 1 .]" 1
628 1 75 ILE MD 1 80 LYS QE 3.200 . 4.400 3.790 2.557 4.478 0.078 3 0 "[ . 1 .]" 1
629 1 30 TYR QE 1 76 ILE HA 3.700 . 5.400 4.458 3.406 5.388 . 0 0 "[ . 1 .]" 1
630 1 76 ILE HA 1 76 ILE HB 2.800 . 3.800 3.025 3.019 3.032 . 0 0 "[ . 1 .]" 1
631 1 76 ILE HA 1 76 ILE MD 3.800 . 5.600 3.854 3.834 3.869 . 0 0 "[ . 1 .]" 1
632 1 18 LEU MD2 1 76 ILE HB 2.900 . 4.000 2.759 2.488 2.986 . 0 0 "[ . 1 .]" 1
633 1 18 LEU MD2 1 76 ILE MD 2.300 . 3.000 2.278 1.975 2.521 . 0 0 "[ . 1 .]" 1
634 1 27 LEU MD1 1 76 ILE MD 2.700 . 3.600 2.889 2.504 3.369 . 0 0 "[ . 1 .]" 1
635 1 30 TYR HB3 1 76 ILE MD 3.400 . 4.900 3.608 3.236 4.120 . 0 0 "[ . 1 .]" 1
636 1 30 TYR HB2 1 76 ILE MD 3.900 . 5.800 4.019 3.624 4.804 . 0 0 "[ . 1 .]" 1
637 1 30 TYR QD 1 76 ILE MD 3.100 . 4.300 3.011 2.854 3.297 . 0 0 "[ . 1 .]" 1
638 1 30 TYR QE 1 76 ILE MD 3.100 . 4.300 3.222 2.728 3.972 . 0 0 "[ . 1 .]" 1
639 1 31 PHE QD 1 76 ILE MD 3.000 . 4.200 4.036 3.693 4.230 0.030 8 0 "[ . 1 .]" 1
640 1 31 PHE QE 1 76 ILE MD 2.500 . 3.300 2.612 2.082 2.944 . 0 0 "[ . 1 .]" 1
641 1 31 PHE HZ 1 76 ILE MD 3.100 . 4.300 3.556 2.705 4.247 . 0 0 "[ . 1 .]" 1
642 1 74 PRO HB3 1 76 ILE MD 4.600 . 6.000 4.393 3.952 4.782 . 0 0 "[ . 1 .]" 1
643 1 74 PRO HD3 1 76 ILE MD 4.900 . 6.000 4.978 4.439 5.437 . 0 0 "[ . 1 .]" 1
644 1 74 PRO QG 1 76 ILE MD 3.000 . 4.100 2.758 2.268 3.278 . 0 0 "[ . 1 .]" 1
645 1 75 ILE HA 1 76 ILE MD 4.900 . 6.000 5.239 5.121 5.330 . 0 0 "[ . 1 .]" 1
646 1 76 ILE HB 1 76 ILE MD 2.100 . 2.700 2.436 2.402 2.467 . 0 0 "[ . 1 .]" 1
647 1 77 ASP HA 1 77 ASP HB3 2.700 . 3.600 3.030 3.022 3.041 . 0 0 "[ . 1 .]" 1
648 1 77 ASP HA 1 77 ASP HB2 2.500 . 3.300 2.502 2.436 2.545 . 0 0 "[ . 1 .]" 1
649 1 18 LEU MD2 1 77 ASP HB3 3.300 . 4.600 4.557 4.186 4.724 0.124 10 0 "[ . 1 .]" 1
650 1 19 PRO HG3 1 77 ASP HB3 3.400 . 4.800 3.577 3.066 4.089 . 0 0 "[ . 1 .]" 1
651 1 19 PRO HG2 1 77 ASP HB3 2.900 . 3.900 2.394 1.854 3.054 0.046 6 0 "[ . 1 .]" 1
652 1 76 ILE HB 1 77 ASP HB3 3.100 . 4.300 4.318 4.277 4.378 0.078 6 0 "[ . 1 .]" 1
653 1 19 PRO HG2 1 77 ASP HB2 3.800 . 5.600 3.536 2.815 4.273 . 0 0 "[ . 1 .]" 1
654 1 76 ILE HB 1 77 ASP HB2 3.700 . 5.400 4.648 4.403 4.911 . 0 0 "[ . 1 .]" 1
655 1 79 ARG HA 1 79 ARG HB2 2.800 . 3.800 2.817 2.574 3.025 . 0 0 "[ . 1 .]" 1
656 1 79 ARG HA 1 79 ARG HB3 2.500 . 3.300 2.734 2.341 3.014 . 0 0 "[ . 1 .]" 1
657 1 79 ARG HA 1 79 ARG HG3 2.900 . 3.900 3.165 2.418 3.888 . 0 0 "[ . 1 .]" 1
658 1 79 ARG HA 1 79 ARG HG2 3.500 . 5.000 3.340 2.605 3.734 . 0 0 "[ . 1 .]" 1
659 1 79 ARG HB2 1 79 ARG HD3 3.800 . 5.600 3.368 2.394 4.234 . 0 0 "[ . 1 .]" 1
660 1 79 ARG HB2 1 79 ARG HD2 3.500 . 5.000 3.313 2.319 4.236 . 0 0 "[ . 1 .]" 1
661 1 79 ARG HB3 1 79 ARG HD3 3.200 . 4.500 3.356 2.454 4.225 . 0 0 "[ . 1 .]" 1
662 1 79 ARG HB3 1 79 ARG HD2 2.900 . 4.000 3.362 2.541 4.231 0.231 1 0 "[ . 1 .]" 1
663 1 19 PRO HD3 1 79 ARG HG3 3.400 . 4.800 3.924 2.596 4.973 0.173 9 0 "[ . 1 .]" 1
664 1 79 ARG HD2 1 79 ARG HG3 2.600 . 3.400 2.561 2.361 3.017 . 0 0 "[ . 1 .]" 1
665 1 80 LYS HA 1 80 LYS QG 2.600 . 3.500 2.481 2.262 3.360 . 0 0 "[ . 1 .]" 1
666 1 73 ASN HA 1 80 LYS QG 3.400 . 4.800 3.813 3.251 4.896 0.096 14 0 "[ . 1 .]" 1
667 1 17 GLY HA3 1 81 ALA HA 2.800 . 3.800 2.611 2.282 2.941 . 0 0 "[ . 1 .]" 1
668 1 17 GLY HA2 1 81 ALA HA 4.500 . 6.000 4.315 3.980 4.623 . 0 0 "[ . 1 .]" 1
669 1 18 LEU MD2 1 81 ALA HA 4.000 . 6.000 4.176 3.666 4.847 . 0 0 "[ . 1 .]" 1
670 1 76 ILE MD 1 81 ALA HA 4.700 . 6.000 4.716 4.526 5.227 . 0 0 "[ . 1 .]" 1
671 1 81 ALA HA 1 81 ALA MB 2.200 . 2.800 2.128 2.124 2.135 . 0 0 "[ . 1 .]" 1
672 1 74 PRO HB3 1 81 ALA MB 4.600 . 6.000 4.915 4.367 5.767 . 0 0 "[ . 1 .]" 1
673 1 74 PRO HD2 1 81 ALA MB 3.000 . 4.100 2.393 1.927 3.099 . 0 0 "[ . 1 .]" 1
674 1 74 PRO QG 1 81 ALA MB 2.900 . 4.000 2.824 1.821 3.370 . 0 0 "[ . 1 .]" 1
675 1 76 ILE MD 1 81 ALA MB 2.200 . 2.800 2.267 1.997 2.730 . 0 0 "[ . 1 .]" 1
676 1 81 ALA MB 1 82 ASN HA 3.900 . 5.800 4.037 3.934 4.145 . 0 0 "[ . 1 .]" 1
677 1 74 PRO HD3 1 82 ASN HA 4.300 . 6.000 4.004 3.132 4.816 . 0 0 "[ . 1 .]" 1
678 1 74 PRO HD2 1 82 ASN HA 3.200 . 4.500 3.802 3.350 4.088 . 0 0 "[ . 1 .]" 1
679 1 82 ASN HA 1 82 ASN HB3 2.500 . 3.300 2.677 2.467 3.030 . 0 0 "[ . 1 .]" 1
680 1 82 ASN HA 1 82 ASN HB2 2.500 . 3.300 2.876 2.409 3.032 . 0 0 "[ . 1 .]" 1
681 1 14 PHE QD 1 82 ASN HB3 3.900 . 5.800 4.854 4.167 5.402 . 0 0 "[ . 1 .]" 1
682 1 14 PHE QE 1 82 ASN HB3 3.100 . 6.000 4.763 3.758 5.854 . 0 0 "[ . 1 .]" 1
683 1 14 PHE QE 1 82 ASN HB2 3.200 . 6.000 4.770 3.810 5.695 . 0 0 "[ . 1 .]" 1
684 1 14 PHE QD 1 83 VAL HA 3.800 . 5.600 4.670 4.332 5.090 . 0 0 "[ . 1 .]" 1
685 1 15 VAL HA 1 83 VAL HA 2.500 . 3.300 2.647 2.379 2.881 . 0 0 "[ . 1 .]" 1
686 1 83 VAL HA 1 83 VAL HB 2.800 . 3.800 3.027 3.023 3.033 . 0 0 "[ . 1 .]" 1
687 1 74 PRO HD3 1 83 VAL HB 3.400 . 4.800 3.309 2.885 3.623 . 0 0 "[ . 1 .]" 1
688 1 74 PRO HD2 1 83 VAL HB 4.300 . 6.000 4.344 3.830 4.713 . 0 0 "[ . 1 .]" 1
689 1 84 ASN HA 1 84 ASN HB3 2.400 . 3.100 2.920 2.487 3.037 . 0 0 "[ . 1 .]" 1
690 1 84 ASN HA 1 84 ASN HB2 2.400 . 3.100 2.489 2.404 2.638 . 0 0 "[ . 1 .]" 1
691 1 85 LEU HA 1 85 LEU MD2 2.200 . 2.800 1.999 1.964 2.056 . 0 0 "[ . 1 .]" 1
692 1 85 LEU HA 1 85 LEU QB 2.400 . 3.100 2.377 2.360 2.392 . 0 0 "[ . 1 .]" 1
693 1 85 LEU QB 1 87 TYR QD 2.600 . 3.400 2.192 1.779 2.632 0.021 5 0 "[ . 1 .]" 1
694 1 85 LEU QB 1 87 TYR QE 3.200 . 4.500 2.572 1.917 4.296 . 0 0 "[ . 1 .]" 1
695 1 10 PHE QD 1 85 LEU MD1 2.700 . 3.600 2.963 2.154 3.515 . 0 0 "[ . 1 .]" 1
696 1 10 PHE QE 1 85 LEU MD1 3.700 . 5.500 4.423 3.764 5.016 . 0 0 "[ . 1 .]" 1
697 1 85 LEU HA 1 85 LEU MD1 3.900 . 5.800 3.858 3.838 3.874 . 0 0 "[ . 1 .]" 1
698 1 85 LEU MD1 1 85 LEU HG 2.300 . 3.000 2.127 2.122 2.131 . 0 0 "[ . 1 .]" 1
699 1 85 LEU MD1 1 87 TYR QD 3.200 . 4.500 3.181 2.542 3.736 . 0 0 "[ . 1 .]" 1
700 1 85 LEU MD1 1 87 TYR QE 2.400 . 3.100 2.037 1.664 3.214 0.114 12 0 "[ . 1 .]" 1
701 1 10 PHE QD 1 85 LEU MD2 3.300 . 4.700 4.496 3.920 4.725 0.025 2 0 "[ . 1 .]" 1
702 1 85 LEU QB 1 85 LEU MD2 2.500 . 3.300 2.306 2.261 2.338 . 0 0 "[ . 1 .]" 1
703 1 85 LEU MD2 1 85 LEU HG 2.200 . 2.800 2.129 2.126 2.133 . 0 0 "[ . 1 .]" 1
704 1 85 LEU MD2 1 87 TYR QD 3.900 . 5.800 3.858 3.657 4.158 . 0 0 "[ . 1 .]" 1
705 1 85 LEU MD2 1 87 TYR QE 4.000 . 6.000 3.932 2.863 5.458 . 0 0 "[ . 1 .]" 1
706 1 14 PHE QD 1 86 ALA HA 3.800 . 5.600 4.451 4.209 4.798 . 0 0 "[ . 1 .]" 1
707 1 56 PHE QE 1 86 ALA HA 3.800 . 5.600 4.351 3.742 4.933 . 0 0 "[ . 1 .]" 1
708 1 14 PHE QB 1 86 ALA MB 2.800 . 3.800 2.439 1.886 3.143 . 0 0 "[ . 1 .]" 1
709 1 14 PHE QD 1 86 ALA MB 4.000 . 6.000 3.844 3.481 4.265 . 0 0 "[ . 1 .]" 1
710 1 14 PHE QE 1 86 ALA MB 4.600 . 6.000 5.513 5.134 5.989 . 0 0 "[ . 1 .]" 1
711 1 56 PHE QD 1 86 ALA MB 2.800 . 3.800 3.152 2.575 3.654 . 0 0 "[ . 1 .]" 1
712 1 56 PHE QE 1 86 ALA MB 2.700 . 3.600 2.642 2.252 3.324 . 0 0 "[ . 1 .]" 1
713 1 56 PHE HZ 1 86 ALA MB 2.900 . 6.000 4.513 3.962 5.231 . 0 0 "[ . 1 .]" 1
714 1 86 ALA HA 1 86 ALA MB 2.400 . 3.100 2.122 2.113 2.130 . 0 0 "[ . 1 .]" 1
715 1 87 TYR HA 1 87 TYR HB3 2.700 . 3.600 2.613 2.504 2.898 . 0 0 "[ . 1 .]" 1
716 1 87 TYR HA 1 87 TYR HB2 2.400 . 3.100 2.330 2.230 2.387 . 0 0 "[ . 1 .]" 1
717 1 87 TYR HA 1 87 TYR QD 3.400 . 4.800 3.676 3.315 3.754 . 0 0 "[ . 1 .]" 1
718 1 87 TYR HB3 1 87 TYR QD 2.500 . 3.300 2.472 2.386 2.560 . 0 0 "[ . 1 .]" 1
719 1 87 TYR HB3 1 87 TYR QE 4.400 . 6.000 4.437 4.413 4.466 . 0 0 "[ . 1 .]" 1
720 1 9 MET HA 1 87 TYR HB2 4.000 . 6.000 4.184 2.906 5.346 . 0 0 "[ . 1 .]" 1
721 1 87 TYR HB2 1 87 TYR QD 2.600 . 3.400 2.345 2.284 2.415 . 0 0 "[ . 1 .]" 1
722 1 10 PHE QD 1 87 TYR QD 3.000 . 4.100 4.018 3.519 4.162 0.062 7 0 "[ . 1 .]" 1
723 1 10 PHE QE 1 87 TYR QD 3.100 . 4.300 4.167 3.719 4.340 0.040 8 0 "[ . 1 .]" 1
724 1 87 TYR QD 1 88 LEU MD1 4.600 . 6.000 4.379 3.806 4.811 . 0 0 "[ . 1 .]" 1
725 1 10 PHE QD 1 87 TYR QE 2.900 . 4.000 3.074 2.661 3.763 . 0 0 "[ . 1 .]" 1
726 1 10 PHE QE 1 87 TYR QE 3.100 . 4.300 3.057 2.705 3.567 . 0 0 "[ . 1 .]" 1
727 1 87 TYR HB2 1 87 TYR QE 4.300 . 6.000 4.400 4.376 4.423 . 0 0 "[ . 1 .]" 1
728 1 87 TYR QD 1 88 LEU HA 3.800 . 5.600 4.027 3.663 4.353 . 0 0 "[ . 1 .]" 1
729 1 87 TYR QE 1 88 LEU HA 4.500 . 6.000 4.548 4.133 5.135 . 0 0 "[ . 1 .]" 1
730 1 88 LEU HA 1 88 LEU HB3 2.600 . 3.500 2.514 2.475 2.535 . 0 0 "[ . 1 .]" 1
731 1 88 LEU HA 1 88 LEU HB2 2.800 . 3.800 3.017 3.011 3.027 . 0 0 "[ . 1 .]" 1
732 1 88 LEU HA 1 88 LEU MD1 3.900 . 5.800 3.850 3.831 3.879 . 0 0 "[ . 1 .]" 1
733 1 88 LEU HA 1 88 LEU MD2 2.200 . 2.800 1.978 1.922 2.031 . 0 0 "[ . 1 .]" 1
734 1 88 LEU HA 1 88 LEU HG 3.400 . 4.800 3.026 2.955 3.101 . 0 0 "[ . 1 .]" 1
735 1 88 LEU HB3 1 88 LEU MD1 2.400 . 3.100 2.387 2.359 2.418 . 0 0 "[ . 1 .]" 1
736 1 88 LEU HB2 1 88 LEU MD1 2.400 . 3.100 2.317 2.289 2.338 . 0 0 "[ . 1 .]" 1
737 1 88 LEU HB2 1 88 LEU HG 2.900 . 4.000 2.478 2.460 2.492 . 0 0 "[ . 1 .]" 1
738 1 84 ASN HB3 1 88 LEU MD1 2.900 . 6.000 4.679 3.419 5.314 . 0 0 "[ . 1 .]" 1
739 1 84 ASN HB2 1 88 LEU MD1 2.700 . 6.000 4.455 1.942 5.330 . 0 0 "[ . 1 .]" 1
740 1 87 TYR QE 1 88 LEU MD1 3.500 . 5.000 3.649 3.128 4.200 . 0 0 "[ . 1 .]" 1
741 1 87 TYR QD 1 88 LEU MD2 3.300 . 4.700 3.422 3.105 3.690 . 0 0 "[ . 1 .]" 1
742 1 87 TYR QE 1 88 LEU MD2 2.600 . 3.400 2.741 2.339 3.096 . 0 0 "[ . 1 .]" 1
743 1 14 PHE QD 1 90 ALA HA 3.400 . 4.800 3.966 3.002 4.854 0.054 3 0 "[ . 1 .]" 1
744 1 14 PHE QE 1 90 ALA HA 4.000 . 6.000 4.424 3.848 5.164 . 0 0 "[ . 1 .]" 1
745 1 90 ALA HA 1 90 ALA MB 2.400 . 3.100 2.128 2.122 2.132 . 0 0 "[ . 1 .]" 1
746 1 14 PHE QD 1 90 ALA MB 3.200 . 4.500 3.064 2.526 4.581 0.081 7 0 "[ . 1 .]" 1
747 1 14 PHE QE 1 90 ALA MB 3.300 . 4.700 3.611 2.563 4.771 0.071 8 0 "[ . 1 .]" 1
748 1 56 PHE QE 1 90 ALA MB 2.900 . 3.900 3.306 2.822 3.994 0.094 8 0 "[ . 1 .]" 1
749 1 56 PHE HZ 1 90 ALA MB 2.800 . 6.000 3.782 2.729 4.152 . 0 0 "[ . 1 .]" 1
750 1 86 ALA HA 1 90 ALA MB 3.600 . 5.200 2.514 1.964 4.563 0.036 15 0 "[ . 1 .]" 1
751 1 90 ALA MB 1 91 LYS HA 3.300 . 4.600 4.201 4.112 4.291 . 0 0 "[ . 1 .]" 1
752 1 91 LYS HA 1 91 LYS HB3 2.500 . 3.300 2.549 2.377 3.029 . 0 0 "[ . 1 .]" 1
753 1 91 LYS HA 1 91 LYS HB2 3.000 . 4.100 2.845 2.469 3.028 . 0 0 "[ . 1 .]" 1
754 1 91 LYS HA 1 92 PRO QD 3.500 . 5.100 1.927 1.868 2.034 0.032 8 0 "[ . 1 .]" 1
755 1 91 LYS HA 1 92 PRO HG3 4.900 . 6.000 4.255 4.106 4.467 . 0 0 "[ . 1 .]" 1
756 1 91 LYS HA 1 91 LYS QG 3.000 . 4.100 2.702 2.314 3.383 . 0 0 "[ . 1 .]" 1
757 1 14 PHE HZ 1 92 PRO HA 3.300 . 4.600 3.242 1.974 4.691 0.091 7 0 "[ . 1 .]" 1
758 1 14 PHE QE 1 92 PRO HB3 3.800 . 5.600 3.913 2.264 5.643 0.043 8 0 "[ . 1 .]" 1
759 1 92 PRO HA 1 92 PRO HB3 2.300 . 2.900 2.291 2.264 2.314 . 0 0 "[ . 1 .]" 1
760 1 14 PHE QE 1 92 PRO QD 3.300 . 4.600 4.292 2.349 4.695 0.095 4 0 "[ . 1 .]" 1
761 1 91 LYS HA 1 92 PRO QD 2.000 . 2.500 1.932 1.873 2.040 . 0 0 "[ . 1 .]" 1
762 1 91 LYS QG 1 92 PRO QD 4.000 . 6.000 3.783 2.653 4.401 . 0 0 "[ . 1 .]" 1
763 1 92 PRO HB3 1 92 PRO QD 3.300 . 4.700 3.269 2.893 3.542 . 0 0 "[ . 1 .]" 1
764 1 92 PRO QD 1 92 PRO HG3 2.400 . 3.100 2.211 2.172 2.248 . 0 0 "[ . 1 .]" 1
765 1 92 PRO QD 1 92 PRO HG2 2.400 . 3.100 2.198 2.178 2.228 . 0 0 "[ . 1 .]" 1
766 1 91 LYS HB3 1 92 PRO HD2 3.200 . 4.500 3.931 3.329 4.944 0.444 5 0 "[ . 1 .]" 1
767 1 92 PRO HB3 1 92 PRO HG3 2.400 . 3.100 2.307 2.279 2.327 . 0 0 "[ . 1 .]" 1
768 1 92 PRO HB3 1 92 PRO HG2 2.900 . 3.900 2.834 2.663 2.998 . 0 0 "[ . 1 .]" 1
769 1 54 TYR QD 1 93 ARG QD 3.100 . 6.000 4.860 2.824 5.972 . 0 0 "[ . 1 .]" 1
770 1 54 TYR QE 1 93 ARG QD 3.100 . 4.300 3.939 2.785 4.390 0.090 5 0 "[ . 1 .]" 1
771 1 93 ARG HA 1 93 ARG QD 3.200 . 4.500 3.817 1.937 4.538 0.038 3 0 "[ . 1 .]" 1
772 1 93 ARG HA 1 93 ARG QG 2.700 . 3.600 2.931 2.355 3.454 . 0 0 "[ . 1 .]" 1
773 1 94 THR HB 1 94 THR MG 2.400 . 3.100 2.135 2.130 2.139 . 0 0 "[ . 1 .]" 1
774 1 95 ASN HA 1 95 ASN HB2 2.900 . 3.900 2.584 2.403 3.028 . 0 0 "[ . 1 .]" 1
775 1 6 ARG HA 1 7 ASP H 2.800 . 3.800 2.187 2.104 2.332 . 0 0 "[ . 1 .]" 1
776 1 7 ASP H 1 7 ASP HB3 4.000 . 6.000 3.078 2.445 4.075 . 0 0 "[ . 1 .]" 1
777 1 7 ASP H 1 7 ASP HB2 3.300 . 4.700 2.970 2.373 3.697 . 0 0 "[ . 1 .]" 1
778 1 7 ASP HA 1 8 THR H 2.700 . 3.600 2.561 2.083 3.442 . 0 0 "[ . 1 .]" 1
779 1 8 THR H 1 8 THR MG 3.300 . 4.700 2.951 2.401 3.852 . 0 0 "[ . 1 .]" 1
780 1 8 THR HA 1 9 MET H 2.700 . 3.600 3.158 2.756 3.509 . 0 0 "[ . 1 .]" 1
781 1 9 MET H 1 9 MET HA 2.700 . 3.600 2.855 2.767 2.903 . 0 0 "[ . 1 .]" 1
782 1 9 MET H 1 9 MET HB3 2.700 . 3.600 3.031 2.438 3.627 0.027 5 0 "[ . 1 .]" 1
783 1 9 MET H 1 9 MET HB2 2.400 . 3.100 2.612 2.433 3.580 0.480 12 0 "[ . 1 .]" 1
784 1 9 MET H 1 9 MET HG3 3.800 . 5.600 3.395 2.075 4.556 . 0 0 "[ . 1 .]" 1
785 1 9 MET H 1 10 PHE H 2.900 . 4.000 2.536 2.297 2.750 . 0 0 "[ . 1 .]" 1
786 1 9 MET HB3 1 10 PHE H 2.900 . 4.000 3.225 2.329 4.303 0.303 12 0 "[ . 1 .]" 1
787 1 9 MET HB2 1 10 PHE H 3.900 . 5.800 3.323 2.275 4.099 . 0 0 "[ . 1 .]" 1
788 1 10 PHE H 1 10 PHE HA 3.000 . 4.100 2.934 2.919 2.948 . 0 0 "[ . 1 .]" 1
789 1 10 PHE H 1 10 PHE HB2 3.600 . 5.200 2.519 2.350 2.622 . 0 0 "[ . 1 .]" 1
790 1 10 PHE H 1 10 PHE HB3 2.900 . 4.000 3.680 3.600 3.736 . 0 0 "[ . 1 .]" 1
791 1 10 PHE H 1 10 PHE QD 3.300 . 4.700 2.890 2.386 3.346 . 0 0 "[ . 1 .]" 1
792 1 10 PHE H 1 11 THR H 2.600 . 3.400 2.394 2.281 2.472 . 0 0 "[ . 1 .]" 1
793 1 10 PHE H 1 11 THR MG 3.800 . 5.600 3.727 3.349 4.003 . 0 0 "[ . 1 .]" 1
794 1 8 THR HA 1 11 THR H 3.300 . 4.700 3.321 3.175 3.628 . 0 0 "[ . 1 .]" 1
795 1 10 PHE HB2 1 11 THR H 4.400 . 6.000 3.714 3.547 3.939 . 0 0 "[ . 1 .]" 1
796 1 11 THR H 1 11 THR MG 3.000 . 4.100 3.025 2.847 3.277 . 0 0 "[ . 1 .]" 1
797 1 11 THR H 1 12 LYS HB3 4.900 . 6.000 4.190 3.888 4.683 . 0 0 "[ . 1 .]" 1
798 1 11 THR H 1 12 LYS HB2 5.100 . 6.000 3.963 3.695 4.477 . 0 0 "[ . 1 .]" 1
799 1 11 THR H 1 12 LYS HG3 5.600 . 6.000 6.137 6.053 6.344 0.344 9 0 "[ . 1 .]" 1
800 1 11 THR H 1 12 LYS H 2.000 . 2.500 1.912 1.742 2.158 . 0 0 "[ . 1 .]" 1
801 1 11 THR HA 1 12 LYS H 3.500 . 5.000 3.327 3.168 3.513 . 0 0 "[ . 1 .]" 1
802 1 11 THR MG 1 12 LYS H 4.400 . 6.000 4.223 4.026 4.303 . 0 0 "[ . 1 .]" 1
803 1 12 LYS H 1 12 LYS HA 2.900 . 4.000 2.913 2.890 2.936 . 0 0 "[ . 1 .]" 1
804 1 12 LYS H 1 12 LYS HB3 2.500 . 3.300 2.600 2.424 2.903 . 0 0 "[ . 1 .]" 1
805 1 12 LYS H 1 12 LYS HB2 2.600 . 3.500 2.659 2.504 2.924 . 0 0 "[ . 1 .]" 1
806 1 12 LYS H 1 12 LYS HG3 4.000 . 6.000 4.501 4.401 4.633 . 0 0 "[ . 1 .]" 1
807 1 12 LYS H 1 12 LYS HG2 4.000 . 6.000 4.502 4.321 4.652 . 0 0 "[ . 1 .]" 1
808 1 12 LYS HA 1 13 ILE H 2.600 . 3.500 2.131 2.088 2.194 . 0 0 "[ . 1 .]" 1
809 1 12 LYS HB2 1 13 ILE H 4.800 . 6.000 4.462 4.369 4.581 . 0 0 "[ . 1 .]" 1
810 1 12 LYS QD 1 13 ILE H 4.400 . 6.000 5.109 3.395 5.389 . 0 0 "[ . 1 .]" 1
811 1 12 LYS HG3 1 13 ILE H 4.100 . 6.000 3.692 3.281 3.972 . 0 0 "[ . 1 .]" 1
812 1 13 ILE H 1 13 ILE HB 3.100 . 4.300 2.512 2.443 2.615 . 0 0 "[ . 1 .]" 1
813 1 13 ILE H 1 13 ILE MD 4.500 . 6.000 3.734 3.640 3.801 . 0 0 "[ . 1 .]" 1
814 1 13 ILE H 1 57 VAL H 3.600 . 5.200 3.119 2.969 3.284 . 0 0 "[ . 1 .]" 1
815 1 13 ILE HA 1 14 PHE H 2.400 . 3.100 2.169 2.123 2.227 . 0 0 "[ . 1 .]" 1
816 1 13 ILE HB 1 14 PHE H 4.300 . 6.000 4.058 3.892 4.225 . 0 0 "[ . 1 .]" 1
817 1 14 PHE H 1 14 PHE QB 2.500 . 3.300 2.319 2.282 2.366 . 0 0 "[ . 1 .]" 1
818 1 14 PHE H 1 14 PHE QD 4.500 . 6.000 4.169 4.103 4.239 . 0 0 "[ . 1 .]" 1
819 1 14 PHE H 1 86 ALA H 3.300 . 4.700 3.329 3.169 3.535 . 0 0 "[ . 1 .]" 1
820 1 14 PHE H 1 86 ALA MB 3.500 . 5.000 3.468 3.043 3.783 . 0 0 "[ . 1 .]" 1
821 1 14 PHE HA 1 15 VAL H 2.300 . 3.000 2.159 2.138 2.180 . 0 0 "[ . 1 .]" 1
822 1 14 PHE QB 1 15 VAL H 4.200 . 6.000 3.822 3.703 3.950 . 0 0 "[ . 1 .]" 1
823 1 14 PHE QD 1 15 VAL H 3.600 . 5.200 3.648 3.121 4.083 . 0 0 "[ . 1 .]" 1
824 1 15 VAL H 1 15 VAL HB 2.700 . 3.600 2.716 2.657 2.780 . 0 0 "[ . 1 .]" 1
825 1 15 VAL H 1 55 GLY H 3.200 . 4.400 3.287 3.153 3.503 . 0 0 "[ . 1 .]" 1
826 1 15 VAL H 1 56 PHE HA 3.300 . 4.700 3.163 3.021 3.266 . 0 0 "[ . 1 .]" 1
827 1 15 VAL H 1 56 PHE QD 4.200 . 6.000 4.518 4.363 4.690 . 0 0 "[ . 1 .]" 1
828 1 14 PHE QE 1 16 GLY H 3.400 . 4.900 3.739 3.319 4.125 . 0 0 "[ . 1 .]" 1
829 1 15 VAL HA 1 16 GLY H 2.300 . 3.000 2.176 2.137 2.195 . 0 0 "[ . 1 .]" 1
830 1 16 GLY H 1 16 GLY HA3 2.700 . 3.600 2.421 2.392 2.458 . 0 0 "[ . 1 .]" 1
831 1 16 GLY H 1 81 ALA MB 4.000 . 6.000 4.023 3.773 4.219 . 0 0 "[ . 1 .]" 1
832 1 16 GLY H 1 82 ASN HB3 3.900 . 5.800 3.928 3.139 4.484 . 0 0 "[ . 1 .]" 1
833 1 16 GLY H 1 83 VAL HA 3.600 . 5.200 3.813 3.443 4.172 . 0 0 "[ . 1 .]" 1
834 1 14 PHE QE 1 17 GLY H 4.400 . 6.000 4.806 4.495 5.138 . 0 0 "[ . 1 .]" 1
835 1 16 GLY HA2 1 17 GLY H 2.600 . 3.400 2.327 2.265 2.491 . 0 0 "[ . 1 .]" 1
836 1 17 GLY H 1 17 GLY HA3 3.000 . 4.100 2.932 2.898 2.949 . 0 0 "[ . 1 .]" 1
837 1 17 GLY H 1 18 LEU HB3 4.500 . 6.000 5.718 5.575 5.997 . 0 0 "[ . 1 .]" 1
838 1 17 GLY H 1 54 TYR HB2 4.500 . 6.000 4.253 3.992 4.605 . 0 0 "[ . 1 .]" 1
839 1 17 GLY H 1 18 LEU H 2.700 . 3.600 2.198 2.078 2.402 . 0 0 "[ . 1 .]" 1
840 1 17 GLY HA3 1 18 LEU H 3.900 . 5.800 3.463 3.325 3.537 . 0 0 "[ . 1 .]" 1
841 1 18 LEU H 1 18 LEU HA 2.900 . 4.000 2.915 2.859 2.946 . 0 0 "[ . 1 .]" 1
842 1 18 LEU H 1 18 LEU HB3 3.000 . 4.100 3.642 3.578 3.719 . 0 0 "[ . 1 .]" 1
843 1 18 LEU H 1 18 LEU HB2 2.500 . 3.300 2.468 2.374 2.562 . 0 0 "[ . 1 .]" 1
844 1 18 LEU H 1 18 LEU MD1 3.700 . 5.400 3.833 3.657 4.003 . 0 0 "[ . 1 .]" 1
845 1 18 LEU H 1 18 LEU MD2 3.700 . 5.400 3.549 3.411 3.669 . 0 0 "[ . 1 .]" 1
846 1 18 LEU H 1 53 GLY HA3 4.000 . 6.000 3.987 3.432 4.918 . 0 0 "[ . 1 .]" 1
847 1 18 LEU H 1 54 TYR HA 3.600 . 5.300 3.159 2.780 3.463 . 0 0 "[ . 1 .]" 1
848 1 19 PRO HA 1 20 TYR H 2.800 . 3.800 2.389 2.272 2.504 . 0 0 "[ . 1 .]" 1
849 1 20 TYR H 1 20 TYR HB3 4.300 . 6.000 3.438 2.424 3.600 . 0 0 "[ . 1 .]" 1
850 1 20 TYR H 1 20 TYR HB2 3.200 . 4.400 2.651 2.494 2.732 . 0 0 "[ . 1 .]" 1
851 1 20 TYR H 1 20 TYR QD 3.800 . 5.600 2.496 1.989 4.167 0.011 9 0 "[ . 1 .]" 1
852 1 22 THR H 1 42 VAL HB 4.400 . 6.000 6.100 6.040 6.186 0.186 4 0 "[ . 1 .]" 1
853 1 22 THR H 1 22 THR HA 2.800 . 3.800 2.879 2.855 2.914 . 0 0 "[ . 1 .]" 1
854 1 22 THR H 1 22 THR HB 2.400 . 3.100 2.512 2.448 2.676 . 0 0 "[ . 1 .]" 1
855 1 22 THR H 1 22 THR MG 3.800 . 5.600 3.774 3.762 3.794 . 0 0 "[ . 1 .]" 1
856 1 22 THR H 1 23 SER H 4.300 . 6.000 4.389 4.256 4.504 . 0 0 "[ . 1 .]" 1
857 1 23 SER H 1 26 THR MG 3.600 . 5.200 3.520 3.234 4.227 . 0 0 "[ . 1 .]" 1
858 1 22 THR HA 1 23 SER H 2.000 . 2.500 2.144 2.113 2.174 . 0 0 "[ . 1 .]" 1
859 1 22 THR MG 1 23 SER H 2.600 . 3.500 2.954 2.717 3.083 . 0 0 "[ . 1 .]" 1
860 1 23 SER H 1 23 SER HA 2.900 . 4.000 2.925 2.891 2.940 . 0 0 "[ . 1 .]" 1
861 1 23 SER H 1 26 THR H 3.400 . 4.800 3.381 3.036 3.966 . 0 0 "[ . 1 .]" 1
862 1 23 SER H 1 26 THR HB 2.600 . 3.400 2.747 2.449 3.413 0.013 7 0 "[ . 1 .]" 1
863 1 23 SER HA 1 24 ASP H 2.300 . 3.000 2.522 2.314 2.636 . 0 0 "[ . 1 .]" 1
864 1 23 SER HB3 1 24 ASP H 2.300 . 3.000 2.232 1.942 2.577 . 0 0 "[ . 1 .]" 1
865 1 23 SER HB2 1 24 ASP H 2.800 . 3.800 3.236 2.998 3.670 . 0 0 "[ . 1 .]" 1
866 1 24 ASP H 1 24 ASP HB3 2.700 . 3.600 2.668 2.485 3.548 . 0 0 "[ . 1 .]" 1
867 1 24 ASP H 1 24 ASP HB2 3.200 . 4.500 3.513 2.714 3.597 . 0 0 "[ . 1 .]" 1
868 1 24 ASP H 1 25 LYS H 2.700 . 3.600 2.756 2.626 2.936 . 0 0 "[ . 1 .]" 1
869 1 24 ASP H 1 42 VAL HB 3.300 . 4.600 3.630 3.274 4.454 . 0 0 "[ . 1 .]" 1
870 1 23 SER HB3 1 25 LYS H 2.500 . 3.300 3.218 3.033 3.358 0.058 14 0 "[ . 1 .]" 1
871 1 23 SER HB2 1 25 LYS H 2.900 . 3.900 3.061 2.824 3.585 . 0 0 "[ . 1 .]" 1
872 1 24 ASP HB3 1 25 LYS H 3.300 . 4.700 3.896 3.673 4.015 . 0 0 "[ . 1 .]" 1
873 1 24 ASP HB2 1 25 LYS H 2.900 . 3.900 3.462 2.463 3.725 . 0 0 "[ . 1 .]" 1
874 1 25 LYS H 1 25 LYS HA 2.600 . 3.400 2.787 2.749 2.814 . 0 0 "[ . 1 .]" 1
875 1 25 LYS H 1 25 LYS QB 2.400 . 3.100 2.489 2.399 2.557 . 0 0 "[ . 1 .]" 1
876 1 25 LYS H 1 25 LYS HG3 3.900 . 5.800 3.189 2.673 3.673 . 0 0 "[ . 1 .]" 1
877 1 25 LYS H 1 25 LYS HG2 3.000 . 4.100 2.207 1.914 2.733 . 0 0 "[ . 1 .]" 1
878 1 22 THR MG 1 26 THR H 4.200 . 6.000 4.103 3.775 4.454 . 0 0 "[ . 1 .]" 1
879 1 25 LYS HG3 1 26 THR H 3.200 . 4.500 2.344 1.921 3.218 . 0 0 "[ . 1 .]" 1
880 1 23 SER HB3 1 26 THR H 4.000 . 6.000 4.173 3.689 4.639 . 0 0 "[ . 1 .]" 1
881 1 25 LYS QB 1 26 THR H 3.100 . 4.300 3.481 3.354 3.587 . 0 0 "[ . 1 .]" 1
882 1 26 THR H 1 26 THR HA 2.400 . 3.200 2.844 2.811 2.892 . 0 0 "[ . 1 .]" 1
883 1 26 THR H 1 26 THR HB 2.300 . 2.900 2.694 2.559 2.836 . 0 0 "[ . 1 .]" 1
884 1 26 THR H 1 26 THR MG 3.300 . 4.700 3.741 3.682 3.785 . 0 0 "[ . 1 .]" 1
885 1 26 THR H 1 27 LEU H 2.400 . 3.100 2.601 2.456 2.722 . 0 0 "[ . 1 .]" 1
886 1 22 THR MG 1 27 LEU H 3.100 . 4.300 3.199 2.990 3.383 . 0 0 "[ . 1 .]" 1
887 1 24 ASP HA 1 27 LEU H 3.000 . 4.100 3.553 3.381 3.762 . 0 0 "[ . 1 .]" 1
888 1 26 THR HB 1 27 LEU H 2.500 . 3.300 2.431 2.233 2.661 . 0 0 "[ . 1 .]" 1
889 1 26 THR MG 1 27 LEU H 3.500 . 5.000 3.626 3.547 3.769 . 0 0 "[ . 1 .]" 1
890 1 27 LEU H 1 27 LEU HA 2.400 . 3.100 2.808 2.773 2.864 . 0 0 "[ . 1 .]" 1
891 1 27 LEU H 1 27 LEU HB3 2.500 . 3.300 2.613 2.537 2.763 . 0 0 "[ . 1 .]" 1
892 1 27 LEU H 1 27 LEU HB2 2.200 . 2.800 2.340 2.236 2.485 . 0 0 "[ . 1 .]" 1
893 1 27 LEU H 1 27 LEU MD1 3.900 . 5.800 3.918 3.787 4.038 . 0 0 "[ . 1 .]" 1
894 1 27 LEU H 1 27 LEU MD2 3.800 . 5.600 4.194 4.143 4.250 . 0 0 "[ . 1 .]" 1
895 1 27 LEU H 1 28 HIS H 2.600 . 3.400 2.671 2.510 2.792 . 0 0 "[ . 1 .]" 1
896 1 27 LEU HA 1 28 HIS H 2.800 . 3.800 3.531 3.509 3.551 . 0 0 "[ . 1 .]" 1
897 1 27 LEU HB3 1 28 HIS H 2.600 . 3.500 2.507 2.332 2.716 . 0 0 "[ . 1 .]" 1
898 1 27 LEU HB2 1 28 HIS H 3.300 . 4.700 3.713 3.614 3.838 . 0 0 "[ . 1 .]" 1
899 1 28 HIS H 1 28 HIS HA 2.700 . 3.600 2.805 2.793 2.826 . 0 0 "[ . 1 .]" 1
900 1 28 HIS H 1 40 ALA MB 3.400 . 4.800 3.268 2.963 3.493 . 0 0 "[ . 1 .]" 1
901 1 27 LEU H 1 29 GLU H 3.700 . 5.400 4.221 4.024 4.411 . 0 0 "[ . 1 .]" 1
902 1 28 HIS HA 1 29 GLU H 3.500 . 5.100 3.547 3.515 3.568 . 0 0 "[ . 1 .]" 1
903 1 28 HIS QB 1 29 GLU H 2.600 . 3.400 2.426 2.305 2.582 . 0 0 "[ . 1 .]" 1
904 1 29 GLU H 1 29 GLU HB3 2.600 . 3.500 2.598 2.454 2.974 . 0 0 "[ . 1 .]" 1
905 1 29 GLU H 1 29 GLU HB2 2.400 . 3.100 2.397 2.091 2.573 . 0 0 "[ . 1 .]" 1
906 1 29 GLU H 1 29 GLU HG2 3.400 . 4.800 4.456 4.002 4.580 . 0 0 "[ . 1 .]" 1
907 1 29 GLU H 1 30 TYR H 2.700 . 3.600 2.829 2.695 2.966 . 0 0 "[ . 1 .]" 1
908 1 29 GLU HB3 1 30 TYR H 2.800 . 3.800 2.581 2.393 2.878 . 0 0 "[ . 1 .]" 1
909 1 29 GLU HB2 1 30 TYR H 3.700 . 5.400 3.822 3.566 3.995 . 0 0 "[ . 1 .]" 1
910 1 29 GLU HG2 1 30 TYR H 4.300 . 6.000 4.120 3.330 5.049 . 0 0 "[ . 1 .]" 1
911 1 30 TYR H 1 30 TYR HA 2.600 . 3.400 2.847 2.813 2.879 . 0 0 "[ . 1 .]" 1
912 1 30 TYR H 1 30 TYR HB3 2.600 . 3.400 2.573 2.448 2.661 . 0 0 "[ . 1 .]" 1
913 1 30 TYR H 1 30 TYR HB2 2.500 . 3.300 2.533 2.441 2.665 . 0 0 "[ . 1 .]" 1
914 1 30 TYR H 1 30 TYR QD 4.300 . 6.000 4.200 4.163 4.232 . 0 0 "[ . 1 .]" 1
915 1 30 TYR H 1 31 PHE H 2.700 . 3.600 2.600 2.515 2.707 . 0 0 "[ . 1 .]" 1
916 1 28 HIS HA 1 31 PHE H 3.700 . 5.400 3.613 3.470 3.810 . 0 0 "[ . 1 .]" 1
917 1 30 TYR HA 1 31 PHE H 3.300 . 4.600 3.541 3.527 3.567 . 0 0 "[ . 1 .]" 1
918 1 30 TYR QD 1 31 PHE H 3.700 . 5.400 3.795 3.335 4.018 . 0 0 "[ . 1 .]" 1
919 1 31 PHE H 1 31 PHE HA 2.800 . 3.800 2.890 2.872 2.898 . 0 0 "[ . 1 .]" 1
920 1 31 PHE H 1 31 PHE HB3 3.300 . 4.700 3.567 3.520 3.597 . 0 0 "[ . 1 .]" 1
921 1 31 PHE H 1 31 PHE QD 2.200 . 2.800 2.495 2.366 2.830 0.030 5 0 "[ . 1 .]" 1
922 1 31 PHE H 1 32 GLU H 2.500 . 3.300 2.435 2.359 2.561 . 0 0 "[ . 1 .]" 1
923 1 31 PHE H 1 34 PHE QD 4.800 . 6.000 4.707 4.400 4.973 . 0 0 "[ . 1 .]" 1
924 1 31 PHE H 1 37 ILE MD 3.500 . 5.100 3.425 3.279 3.620 . 0 0 "[ . 1 .]" 1
925 1 31 PHE HB3 1 32 GLU H 3.900 . 5.800 3.852 3.749 3.954 . 0 0 "[ . 1 .]" 1
926 1 31 PHE HB2 1 32 GLU H 3.700 . 5.500 3.264 3.202 3.341 . 0 0 "[ . 1 .]" 1
927 1 31 PHE QD 1 32 GLU H 4.500 . 6.000 4.557 4.454 4.718 . 0 0 "[ . 1 .]" 1
928 1 32 GLU H 1 32 GLU HA 2.600 . 3.400 2.809 2.753 2.845 . 0 0 "[ . 1 .]" 1
929 1 32 GLU H 1 32 GLU HB3 2.800 . 3.800 2.648 2.540 2.755 . 0 0 "[ . 1 .]" 1
930 1 32 GLU H 1 32 GLU HB2 2.400 . 3.100 2.515 2.242 3.637 0.537 1 1 "[+ . 1 .]" 1
931 1 32 GLU H 1 32 GLU HG2 3.600 . 5.300 4.333 2.265 4.534 . 0 0 "[ . 1 .]" 1
932 1 32 GLU H 1 32 GLU HG3 3.600 . 5.200 4.308 2.956 4.447 . 0 0 "[ . 1 .]" 1
933 1 32 GLU H 1 37 ILE MD 2.700 . 3.600 2.594 2.420 2.839 . 0 0 "[ . 1 .]" 1
934 1 32 GLU HG3 1 33 GLN H 4.000 . 6.000 4.948 2.639 5.336 . 0 0 "[ . 1 .]" 1
935 1 32 GLU H 1 33 GLN H 2.900 . 3.900 2.630 2.517 2.785 . 0 0 "[ . 1 .]" 1
936 1 32 GLU HA 1 33 GLN H 3.400 . 4.800 3.419 3.350 3.467 . 0 0 "[ . 1 .]" 1
937 1 33 GLN H 1 33 GLN HA 2.800 . 3.800 2.809 2.771 2.853 . 0 0 "[ . 1 .]" 1
938 1 33 GLN H 1 34 PHE H 2.800 . 3.800 2.620 2.458 2.750 . 0 0 "[ . 1 .]" 1
939 1 33 GLN H 1 34 PHE QD 3.900 . 5.800 3.964 3.452 4.344 . 0 0 "[ . 1 .]" 1
940 1 33 GLN HA 1 33 GLN HE21 3.800 . 5.600 4.055 2.702 5.286 . 0 0 "[ . 1 .]" 1
941 1 33 GLN HE21 1 33 GLN HG3 3.100 . 4.300 2.718 2.190 3.484 . 0 0 "[ . 1 .]" 1
942 1 33 GLN HE21 1 33 GLN HG2 3.100 . 4.300 2.915 2.192 3.476 . 0 0 "[ . 1 .]" 1
943 1 32 GLU HA 1 34 PHE H 3.400 . 4.800 3.690 3.365 4.240 . 0 0 "[ . 1 .]" 1
944 1 33 GLN HA 1 34 PHE H 3.800 . 5.600 3.468 3.364 3.515 . 0 0 "[ . 1 .]" 1
945 1 33 GLN HG3 1 34 PHE H 3.300 . 4.600 3.927 2.973 4.838 0.238 6 0 "[ . 1 .]" 1
946 1 33 GLN HG2 1 34 PHE H 3.300 . 4.700 4.259 2.813 4.808 0.108 2 0 "[ . 1 .]" 1
947 1 34 PHE H 1 34 PHE HA 3.000 . 4.100 2.909 2.864 2.942 . 0 0 "[ . 1 .]" 1
948 1 34 PHE H 1 34 PHE HB3 3.400 . 4.900 3.652 3.598 3.712 . 0 0 "[ . 1 .]" 1
949 1 34 PHE H 1 34 PHE HB2 2.800 . 3.800 2.527 2.408 2.653 . 0 0 "[ . 1 .]" 1
950 1 34 PHE H 1 35 GLY H 2.400 . 3.100 2.335 2.201 2.501 . 0 0 "[ . 1 .]" 1
951 1 34 PHE H 1 59 MET ME 3.800 . 5.600 3.895 3.555 4.279 . 0 0 "[ . 1 .]" 1
952 1 33 GLN HA 1 35 GLY H 3.700 . 5.400 4.205 3.812 4.641 . 0 0 "[ . 1 .]" 1
953 1 34 PHE HA 1 35 GLY H 3.300 . 4.700 3.395 3.255 3.545 . 0 0 "[ . 1 .]" 1
954 1 34 PHE HB3 1 35 GLY H 4.100 . 6.000 4.130 3.699 4.388 . 0 0 "[ . 1 .]" 1
955 1 34 PHE HB2 1 35 GLY H 3.700 . 5.400 3.241 2.732 3.590 . 0 0 "[ . 1 .]" 1
956 1 35 GLY H 1 35 GLY HA3 2.700 . 3.600 2.896 2.843 2.945 . 0 0 "[ . 1 .]" 1
957 1 35 GLY H 1 35 GLY HA2 2.700 . 3.600 2.681 2.559 2.787 . 0 0 "[ . 1 .]" 1
958 1 35 GLY H 1 59 MET ME 3.100 . 4.300 3.108 2.715 3.806 . 0 0 "[ . 1 .]" 1
959 1 35 GLY H 1 36 ASP H 4.300 . 6.000 4.386 4.313 4.442 . 0 0 "[ . 1 .]" 1
960 1 35 GLY HA3 1 36 ASP H 2.500 . 3.300 2.488 2.284 2.720 . 0 0 "[ . 1 .]" 1
961 1 35 GLY HA2 1 36 ASP H 2.600 . 3.400 2.611 2.357 2.816 . 0 0 "[ . 1 .]" 1
962 1 36 ASP H 1 36 ASP HA 2.600 . 3.400 2.842 2.775 2.911 . 0 0 "[ . 1 .]" 1
963 1 36 ASP H 1 36 ASP HB2 2.800 . 3.800 2.611 2.427 2.848 . 0 0 "[ . 1 .]" 1
964 1 36 ASP H 1 60 LYS HB3 3.500 . 5.000 4.272 3.061 5.014 0.014 6 0 "[ . 1 .]" 1
965 1 36 ASP H 1 60 LYS HB2 3.900 . 5.800 5.225 3.785 5.857 0.057 11 0 "[ . 1 .]" 1
966 1 36 ASP H 1 37 ILE H 4.800 . 6.000 4.575 4.485 4.623 . 0 0 "[ . 1 .]" 1
967 1 36 ASP HA 1 37 ILE H 2.200 . 2.800 2.211 2.129 2.289 . 0 0 "[ . 1 .]" 1
968 1 36 ASP HB3 1 37 ILE H 3.500 . 5.100 3.326 2.847 4.044 . 0 0 "[ . 1 .]" 1
969 1 37 ILE H 1 37 ILE HA 2.800 . 3.700 2.945 2.929 2.956 . 0 0 "[ . 1 .]" 1
970 1 37 ILE H 1 37 ILE HB 2.300 . 3.000 2.640 2.523 2.737 . 0 0 "[ . 1 .]" 1
971 1 37 ILE H 1 37 ILE MD 4.300 . 6.000 3.892 3.716 4.037 . 0 0 "[ . 1 .]" 1
972 1 37 ILE H 1 60 LYS HB3 3.900 . 5.800 4.975 4.345 5.644 . 0 0 "[ . 1 .]" 1
973 1 37 ILE H 1 38 GLU H 4.200 . 6.000 4.405 4.324 4.487 . 0 0 "[ . 1 .]" 1
974 1 37 ILE HA 1 38 GLU H 2.100 . 2.700 2.194 2.136 2.305 . 0 0 "[ . 1 .]" 1
975 1 38 GLU H 1 38 GLU HA 3.000 . 4.100 2.897 2.860 2.934 . 0 0 "[ . 1 .]" 1
976 1 38 GLU H 1 38 GLU HB3 3.600 . 5.200 3.627 3.584 3.682 . 0 0 "[ . 1 .]" 1
977 1 38 GLU H 1 38 GLU HB2 2.600 . 3.400 2.452 2.356 2.567 . 0 0 "[ . 1 .]" 1
978 1 38 GLU H 1 38 GLU QG 3.300 . 4.700 2.539 2.237 2.792 . 0 0 "[ . 1 .]" 1
979 1 38 GLU H 1 59 MET HA 3.000 . 4.100 2.849 2.302 3.130 . 0 0 "[ . 1 .]" 1
980 1 37 ILE HA 1 39 GLU H 3.600 . 5.300 4.038 3.720 4.380 . 0 0 "[ . 1 .]" 1
981 1 38 GLU H 1 39 GLU H 2.400 . 3.100 2.376 2.112 2.582 . 0 0 "[ . 1 .]" 1
982 1 38 GLU HA 1 39 GLU H 3.500 . 5.000 3.528 3.467 3.560 . 0 0 "[ . 1 .]" 1
983 1 38 GLU HB3 1 39 GLU H 3.600 . 5.200 3.574 3.239 3.879 . 0 0 "[ . 1 .]" 1
984 1 38 GLU HB2 1 39 GLU H 2.500 . 3.300 2.580 2.297 3.014 . 0 0 "[ . 1 .]" 1
985 1 38 GLU QG 1 39 GLU H 4.200 . 6.000 4.038 3.821 4.236 . 0 0 "[ . 1 .]" 1
986 1 39 GLU H 1 39 GLU HA 2.800 . 3.800 2.909 2.844 2.952 . 0 0 "[ . 1 .]" 1
987 1 39 GLU H 1 39 GLU QB 2.700 . 3.600 2.703 2.519 2.915 . 0 0 "[ . 1 .]" 1
988 1 39 GLU H 1 40 ALA H 3.800 . 5.600 4.107 3.956 4.271 . 0 0 "[ . 1 .]" 1
989 1 39 GLU H 1 40 ALA MB 4.500 . 6.000 4.189 3.904 4.348 . 0 0 "[ . 1 .]" 1
990 1 39 GLU H 1 58 THR H 2.900 . 3.900 2.981 2.753 3.186 . 0 0 "[ . 1 .]" 1
991 1 39 GLU H 1 58 THR HB 2.500 . 3.300 2.449 2.217 2.794 . 0 0 "[ . 1 .]" 1
992 1 39 GLU H 1 58 THR MG 4.200 . 6.000 3.810 3.585 4.027 . 0 0 "[ . 1 .]" 1
993 1 39 GLU HA 1 40 ALA H 2.100 . 2.600 2.165 2.123 2.205 . 0 0 "[ . 1 .]" 1
994 1 39 GLU QB 1 40 ALA H 3.500 . 5.100 3.795 3.611 3.888 . 0 0 "[ . 1 .]" 1
995 1 39 GLU HG3 1 40 ALA H 3.200 . 4.500 3.321 2.892 3.749 . 0 0 "[ . 1 .]" 1
996 1 40 ALA H 1 40 ALA HA 2.800 . 3.800 2.924 2.891 2.946 . 0 0 "[ . 1 .]" 1
997 1 40 ALA H 1 40 ALA MB 2.600 . 3.400 2.621 2.491 2.728 . 0 0 "[ . 1 .]" 1
998 1 40 ALA H 1 41 VAL H 3.700 . 5.400 3.917 3.715 4.132 . 0 0 "[ . 1 .]" 1
999 1 40 ALA HA 1 41 VAL H 2.100 . 2.700 2.168 2.144 2.194 . 0 0 "[ . 1 .]" 1
1000 1 40 ALA MB 1 41 VAL H 3.400 . 4.800 3.412 3.275 3.476 . 0 0 "[ . 1 .]" 1
1001 1 41 VAL H 1 41 VAL HA 2.500 . 3.300 2.933 2.918 2.943 . 0 0 "[ . 1 .]" 1
1002 1 41 VAL H 1 41 VAL HB 3.600 . 5.200 3.881 3.841 3.920 . 0 0 "[ . 1 .]" 1
1003 1 41 VAL H 1 42 VAL HA 4.000 . 6.000 4.802 4.725 4.900 . 0 0 "[ . 1 .]" 1
1004 1 24 ASP HB3 1 42 VAL H 3.400 . 4.800 2.577 2.088 3.365 . 0 0 "[ . 1 .]" 1
1005 1 41 VAL H 1 42 VAL H 3.800 . 5.600 4.340 4.270 4.409 . 0 0 "[ . 1 .]" 1
1006 1 41 VAL HA 1 42 VAL H 2.000 . 2.500 2.199 2.149 2.265 . 0 0 "[ . 1 .]" 1
1007 1 42 VAL H 1 42 VAL HA 2.700 . 3.600 2.919 2.908 2.945 . 0 0 "[ . 1 .]" 1
1008 1 42 VAL H 1 42 VAL HB 2.300 . 3.000 2.545 2.509 2.622 . 0 0 "[ . 1 .]" 1
1009 1 42 VAL HA 1 43 ILE H 2.100 . 2.700 2.162 2.136 2.186 . 0 0 "[ . 1 .]" 1
1010 1 43 ILE H 1 43 ILE HA 2.800 . 3.800 2.844 2.836 2.877 . 0 0 "[ . 1 .]" 1
1011 1 43 ILE H 1 43 ILE HB 2.500 . 3.300 2.539 2.467 2.635 . 0 0 "[ . 1 .]" 1
1012 1 43 ILE H 1 43 ILE MD 3.400 . 4.900 3.220 3.106 3.332 . 0 0 "[ . 1 .]" 1
1013 1 43 ILE H 1 44 THR H 4.400 . 6.000 4.493 4.344 4.559 . 0 0 "[ . 1 .]" 1
1014 1 43 ILE HA 1 44 THR H 2.000 . 2.500 2.122 2.099 2.157 . 0 0 "[ . 1 .]" 1
1015 1 43 ILE MD 1 44 THR H 3.600 . 5.200 3.622 3.467 3.780 . 0 0 "[ . 1 .]" 1
1016 1 44 THR H 1 44 THR HB 3.700 . 5.400 3.621 3.576 3.692 . 0 0 "[ . 1 .]" 1
1017 1 44 THR H 1 44 THR MG 2.700 . 3.600 2.815 2.590 3.005 . 0 0 "[ . 1 .]" 1
1018 1 44 THR H 1 45 ASP H 4.200 . 6.000 4.520 4.453 4.590 . 0 0 "[ . 1 .]" 1
1019 1 44 THR H 1 46 ARG QG 3.500 . 6.000 5.931 5.259 6.112 0.112 4 0 "[ . 1 .]" 1
1020 1 44 THR HB 1 45 ASP H 2.500 . 3.300 2.827 2.531 3.182 . 0 0 "[ . 1 .]" 1
1021 1 44 THR MG 1 45 ASP H 3.800 . 5.700 3.607 3.441 3.797 . 0 0 "[ . 1 .]" 1
1022 1 45 ASP H 1 45 ASP HA 2.800 . 3.800 2.846 2.787 2.906 . 0 0 "[ . 1 .]" 1
1023 1 45 ASP H 1 45 ASP HB2 2.900 . 4.000 2.696 2.455 3.599 . 0 0 "[ . 1 .]" 1
1024 1 45 ASP H 1 45 ASP HB3 2.400 . 3.100 2.523 2.361 3.616 0.516 11 1 "[ . 1+ .]" 1
1025 1 45 ASP H 1 50 LYS H 3.100 . 4.300 3.117 2.751 3.567 . 0 0 "[ . 1 .]" 1
1026 1 45 ASP H 1 51 SER HA 3.800 . 5.600 3.814 3.335 4.171 . 0 0 "[ . 1 .]" 1
1027 1 45 ASP H 1 52 ARG H 4.100 . 6.000 4.163 3.762 5.017 . 0 0 "[ . 1 .]" 1
1028 1 45 ASP H 1 52 ARG QG 3.100 . 4.300 2.908 2.550 4.315 0.015 11 0 "[ . 1 .]" 1
1029 1 45 ASP HA 1 46 ARG H 2.700 . 3.600 2.272 2.197 2.346 . 0 0 "[ . 1 .]" 1
1030 1 46 ARG H 1 46 ARG QB 3.100 . 4.300 2.405 2.242 2.543 . 0 0 "[ . 1 .]" 1
1031 1 46 ARG HA 1 47 ASN H 3.200 . 4.500 3.432 3.313 3.505 . 0 0 "[ . 1 .]" 1
1032 1 46 ARG QB 1 47 ASN H 3.300 . 4.700 3.024 2.587 3.343 . 0 0 "[ . 1 .]" 1
1033 1 46 ARG QG 1 47 ASN H 4.500 . 6.000 4.254 3.915 4.681 . 0 0 "[ . 1 .]" 1
1034 1 47 ASN H 1 47 ASN HA 2.400 . 3.100 2.914 2.887 2.929 . 0 0 "[ . 1 .]" 1
1035 1 47 ASN H 1 47 ASN HB3 3.300 . 4.700 3.427 2.505 3.685 . 0 0 "[ . 1 .]" 1
1036 1 47 ASN H 1 47 ASN HB2 2.800 . 3.800 2.508 2.247 2.860 . 0 0 "[ . 1 .]" 1
1037 1 47 ASN H 1 47 ASN HD21 4.000 . 6.000 3.987 2.268 4.909 . 0 0 "[ . 1 .]" 1
1038 1 47 ASN HB3 1 47 ASN HD21 3.100 . 4.300 2.739 2.201 3.472 . 0 0 "[ . 1 .]" 1
1039 1 47 ASN HB2 1 47 ASN HD21 3.700 . 5.400 2.906 2.196 3.524 . 0 0 "[ . 1 .]" 1
1040 1 47 ASN H 1 48 THR H 2.600 . 3.400 2.408 2.274 2.563 . 0 0 "[ . 1 .]" 1
1041 1 47 ASN HA 1 48 THR H 2.700 . 3.600 3.555 3.512 3.582 . 0 0 "[ . 1 .]" 1
1042 1 47 ASN HB3 1 48 THR H 3.200 . 4.400 3.212 2.257 3.798 . 0 0 "[ . 1 .]" 1
1043 1 47 ASN HB2 1 48 THR H 3.000 . 4.100 2.684 2.248 3.838 . 0 0 "[ . 1 .]" 1
1044 1 48 THR H 1 48 THR HA 2.700 . 3.600 2.917 2.895 2.954 . 0 0 "[ . 1 .]" 1
1045 1 48 THR H 1 48 THR MG 2.500 . 3.300 2.627 2.426 2.904 . 0 0 "[ . 1 .]" 1
1046 1 48 THR H 1 49 GLN H 2.400 . 3.100 2.266 2.125 2.388 . 0 0 "[ . 1 .]" 1
1047 1 48 THR H 1 49 GLN HA 5.100 . 6.000 4.487 4.332 4.620 . 0 0 "[ . 1 .]" 1
1048 1 45 ASP HB3 1 49 GLN H 3.800 . 5.600 3.015 2.596 4.682 . 0 0 "[ . 1 .]" 1
1049 1 47 ASN H 1 49 GLN H 3.500 . 5.000 3.377 3.227 3.586 . 0 0 "[ . 1 .]" 1
1050 1 48 THR HA 1 49 GLN H 3.000 . 4.100 3.415 3.318 3.457 . 0 0 "[ . 1 .]" 1
1051 1 48 THR MG 1 49 GLN H 4.400 . 6.000 4.139 4.031 4.332 . 0 0 "[ . 1 .]" 1
1052 1 49 GLN H 1 49 GLN HA 2.100 . 2.700 2.256 2.244 2.265 . 0 0 "[ . 1 .]" 1
1053 1 49 GLN H 1 49 GLN QG 3.000 . 4.100 3.008 2.840 3.421 . 0 0 "[ . 1 .]" 1
1054 1 49 GLN H 1 50 LYS QG 4.300 . 6.000 4.478 4.003 5.266 . 0 0 "[ . 1 .]" 1
1055 1 50 LYS H 1 50 LYS HB3 3.000 . 4.100 3.316 2.933 3.519 . 0 0 "[ . 1 .]" 1
1056 1 45 ASP HB2 1 50 LYS H 3.500 . 5.000 4.043 1.928 4.896 0.072 11 0 "[ . 1 .]" 1
1057 1 45 ASP HB3 1 50 LYS H 3.000 . 4.100 2.814 2.291 3.792 . 0 0 "[ . 1 .]" 1
1058 1 48 THR H 1 50 LYS H 3.800 . 5.600 3.870 3.594 4.043 . 0 0 "[ . 1 .]" 1
1059 1 49 GLN H 1 50 LYS H 2.700 . 3.600 2.638 2.544 2.899 . 0 0 "[ . 1 .]" 1
1060 1 49 GLN HA 1 50 LYS H 2.900 . 4.000 2.949 2.802 3.136 . 0 0 "[ . 1 .]" 1
1061 1 50 LYS H 1 50 LYS HA 2.700 . 3.600 2.931 2.913 2.944 . 0 0 "[ . 1 .]" 1
1062 1 50 LYS H 1 50 LYS HB2 2.700 . 3.600 2.575 2.308 3.716 0.116 1 0 "[ . 1 .]" 1
1063 1 50 LYS H 1 50 LYS QG 2.700 . 3.600 2.705 2.147 3.323 . 0 0 "[ . 1 .]" 1
1064 1 50 LYS HA 1 51 SER H 2.500 . 3.300 2.392 2.271 2.535 . 0 0 "[ . 1 .]" 1
1065 1 50 LYS HB3 1 51 SER H 3.700 . 5.400 2.610 2.209 4.023 . 0 0 "[ . 1 .]" 1
1066 1 50 LYS HB2 1 51 SER H 3.900 . 5.800 3.629 2.889 3.954 . 0 0 "[ . 1 .]" 1
1067 1 51 SER H 1 51 SER HB3 3.300 . 4.600 2.949 2.451 3.574 . 0 0 "[ . 1 .]" 1
1068 1 51 SER H 1 51 SER HB2 2.900 . 3.900 2.654 2.499 3.475 . 0 0 "[ . 1 .]" 1
1069 1 52 ARG H 1 53 GLY HA2 4.200 . 6.000 4.794 4.590 4.980 . 0 0 "[ . 1 .]" 1
1070 1 44 THR HA 1 52 ARG H 2.900 . 3.900 3.011 2.516 3.602 . 0 0 "[ . 1 .]" 1
1071 1 44 THR MG 1 52 ARG H 4.600 . 6.000 4.085 3.706 4.292 . 0 0 "[ . 1 .]" 1
1072 1 51 SER HA 1 52 ARG H 2.200 . 2.800 2.200 2.156 2.265 . 0 0 "[ . 1 .]" 1
1073 1 51 SER HB3 1 52 ARG H 3.600 . 5.300 3.674 2.943 4.137 . 0 0 "[ . 1 .]" 1
1074 1 52 ARG H 1 52 ARG HB3 3.700 . 5.400 3.598 3.507 3.701 . 0 0 "[ . 1 .]" 1
1075 1 52 ARG H 1 52 ARG HB2 3.000 . 4.100 2.403 2.219 2.590 . 0 0 "[ . 1 .]" 1
1076 1 52 ARG H 1 52 ARG QG 2.800 . 3.800 2.625 2.197 3.166 . 0 0 "[ . 1 .]" 1
1077 1 52 ARG H 1 53 GLY H 2.700 . 3.600 2.455 2.297 2.616 . 0 0 "[ . 1 .]" 1
1078 1 51 SER HA 1 53 GLY H 4.000 . 6.000 3.651 3.482 3.827 . 0 0 "[ . 1 .]" 1
1079 1 52 ARG HA 1 53 GLY H 3.700 . 5.500 3.288 3.192 3.430 . 0 0 "[ . 1 .]" 1
1080 1 53 GLY H 1 53 GLY HA2 2.800 . 3.800 2.352 2.308 2.418 . 0 0 "[ . 1 .]" 1
1081 1 53 GLY H 1 54 TYR H 2.800 . 3.700 2.335 2.134 2.521 . 0 0 "[ . 1 .]" 1
1082 1 18 LEU MD1 1 54 TYR H 4.000 . 6.000 3.881 3.514 4.131 . 0 0 "[ . 1 .]" 1
1083 1 52 ARG HB3 1 54 TYR H 4.200 . 6.000 4.410 3.757 4.977 . 0 0 "[ . 1 .]" 1
1084 1 53 GLY HA3 1 54 TYR H 3.700 . 5.400 3.438 3.380 3.504 . 0 0 "[ . 1 .]" 1
1085 1 53 GLY HA2 1 54 TYR H 3.400 . 4.900 3.083 2.963 3.170 . 0 0 "[ . 1 .]" 1
1086 1 54 TYR H 1 54 TYR HA 2.900 . 4.000 2.865 2.838 2.891 . 0 0 "[ . 1 .]" 1
1087 1 54 TYR H 1 54 TYR QD 3.300 . 4.700 3.316 2.887 3.544 . 0 0 "[ . 1 .]" 1
1088 1 15 VAL HB 1 55 GLY H 2.900 . 4.000 2.829 2.686 3.034 . 0 0 "[ . 1 .]" 1
1089 1 18 LEU MD1 1 55 GLY H 2.900 . 4.000 2.538 2.277 2.717 . 0 0 "[ . 1 .]" 1
1090 1 43 ILE H 1 55 GLY H 4.500 . 6.000 4.840 4.479 5.219 . 0 0 "[ . 1 .]" 1
1091 1 54 TYR H 1 55 GLY H 4.100 . 6.000 4.334 4.303 4.361 . 0 0 "[ . 1 .]" 1
1092 1 54 TYR HA 1 55 GLY H 2.400 . 3.100 2.350 2.274 2.412 . 0 0 "[ . 1 .]" 1
1093 1 54 TYR HB3 1 55 GLY H 3.700 . 5.500 3.871 3.743 3.988 . 0 0 "[ . 1 .]" 1
1094 1 54 TYR HB2 1 55 GLY H 2.800 . 3.800 2.565 2.412 2.742 . 0 0 "[ . 1 .]" 1
1095 1 54 TYR QD 1 55 GLY H 3.400 . 4.800 3.252 3.144 3.451 . 0 0 "[ . 1 .]" 1
1096 1 55 GLY H 1 55 GLY HA3 2.800 . 3.800 2.610 2.574 2.635 . 0 0 "[ . 1 .]" 1
1097 1 55 GLY H 1 55 GLY HA2 3.000 . 4.100 2.934 2.923 2.944 . 0 0 "[ . 1 .]" 1
1098 1 55 GLY HA3 1 56 PHE H 2.800 . 3.700 2.741 2.615 2.790 . 0 0 "[ . 1 .]" 1
1099 1 55 GLY HA2 1 56 PHE H 2.400 . 3.100 2.410 2.348 2.519 . 0 0 "[ . 1 .]" 1
1100 1 56 PHE H 1 56 PHE HB3 4.000 . 6.000 3.714 3.644 3.798 . 0 0 "[ . 1 .]" 1
1101 1 56 PHE H 1 56 PHE HB2 3.200 . 4.500 2.542 2.465 2.678 . 0 0 "[ . 1 .]" 1
1102 1 56 PHE H 1 56 PHE QD 3.300 . 4.700 3.074 2.922 3.230 . 0 0 "[ . 1 .]" 1
1103 1 40 ALA MB 1 57 VAL H 4.700 . 6.000 5.196 4.657 5.548 . 0 0 "[ . 1 .]" 1
1104 1 13 ILE HA 1 57 VAL H 4.000 . 6.000 4.653 4.517 4.774 . 0 0 "[ . 1 .]" 1
1105 1 13 ILE HB 1 57 VAL H 3.500 . 5.000 2.979 2.728 3.267 . 0 0 "[ . 1 .]" 1
1106 1 56 PHE HA 1 57 VAL H 2.300 . 2.900 2.176 2.147 2.203 . 0 0 "[ . 1 .]" 1
1107 1 56 PHE HB3 1 57 VAL H 3.100 . 4.300 3.085 2.954 3.125 . 0 0 "[ . 1 .]" 1
1108 1 56 PHE HB2 1 57 VAL H 3.900 . 5.800 4.163 4.051 4.230 . 0 0 "[ . 1 .]" 1
1109 1 56 PHE QD 1 57 VAL H 4.000 . 6.000 3.752 3.549 3.912 . 0 0 "[ . 1 .]" 1
1110 1 57 VAL H 1 57 VAL HA 2.900 . 3.900 2.951 2.943 2.955 . 0 0 "[ . 1 .]" 1
1111 1 57 VAL H 1 57 VAL HB 2.800 . 3.800 2.744 2.703 2.803 . 0 0 "[ . 1 .]" 1
1112 1 39 GLU QB 1 58 THR H 3.800 . 5.600 3.248 2.352 3.966 . 0 0 "[ . 1 .]" 1
1113 1 57 VAL HA 1 58 THR H 2.200 . 2.800 2.150 2.128 2.193 . 0 0 "[ . 1 .]" 1
1114 1 58 THR H 1 58 THR HB 2.700 . 3.600 2.617 2.548 2.693 . 0 0 "[ . 1 .]" 1
1115 1 58 THR H 1 58 THR MG 3.900 . 5.800 3.830 3.801 3.865 . 0 0 "[ . 1 .]" 1
1116 1 11 THR HA 1 59 MET H 3.500 . 5.000 3.679 3.455 3.927 . 0 0 "[ . 1 .]" 1
1117 1 11 THR HB 1 59 MET H 2.700 . 3.600 2.905 2.548 3.283 . 0 0 "[ . 1 .]" 1
1118 1 13 ILE H 1 59 MET H 4.200 . 6.000 4.127 3.838 4.496 . 0 0 "[ . 1 .]" 1
1119 1 58 THR HB 1 59 MET H 4.300 . 6.000 4.292 4.216 4.356 . 0 0 "[ . 1 .]" 1
1120 1 58 THR MG 1 59 MET H 3.100 . 4.300 3.079 2.936 3.275 . 0 0 "[ . 1 .]" 1
1121 1 59 MET H 1 59 MET HB2 2.700 . 3.600 2.536 2.449 2.863 . 0 0 "[ . 1 .]" 1
1122 1 59 MET H 1 59 MET HG3 3.800 . 5.600 3.494 2.197 3.878 . 0 0 "[ . 1 .]" 1
1123 1 59 MET H 1 60 LYS HA 3.700 . 6.000 5.541 5.352 5.780 . 0 0 "[ . 1 .]" 1
1124 1 59 MET H 1 65 ALA MB 3.900 . 5.800 3.684 3.484 3.948 . 0 0 "[ . 1 .]" 1
1125 1 38 GLU H 1 60 LYS H 3.600 . 5.200 3.982 3.412 4.562 . 0 0 "[ . 1 .]" 1
1126 1 59 MET HA 1 60 LYS H 2.200 . 2.800 2.424 2.318 2.516 . 0 0 "[ . 1 .]" 1
1127 1 59 MET HB3 1 60 LYS H 2.300 . 2.900 2.396 2.168 2.591 . 0 0 "[ . 1 .]" 1
1128 1 59 MET HB2 1 60 LYS H 4.000 . 6.000 3.485 2.991 3.666 . 0 0 "[ . 1 .]" 1
1129 1 59 MET HG3 1 60 LYS H 5.000 . 6.000 4.778 4.556 4.972 . 0 0 "[ . 1 .]" 1
1130 1 60 LYS H 1 60 LYS HA 2.400 . 3.100 2.818 2.754 2.890 . 0 0 "[ . 1 .]" 1
1131 1 60 LYS H 1 60 LYS HB3 2.200 . 2.800 2.484 2.173 2.660 . 0 0 "[ . 1 .]" 1
1132 1 60 LYS H 1 60 LYS HB2 3.000 . 4.100 3.406 2.527 3.655 . 0 0 "[ . 1 .]" 1
1133 1 60 LYS H 1 60 LYS QG 2.900 . 3.900 2.583 1.929 3.940 0.040 9 0 "[ . 1 .]" 1
1134 1 11 THR MG 1 61 ASP H 3.500 . 5.000 3.628 3.205 3.968 . 0 0 "[ . 1 .]" 1
1135 1 59 MET HG3 1 61 ASP H 4.500 . 6.000 5.077 4.852 5.833 . 0 0 "[ . 1 .]" 1
1136 1 60 LYS H 1 61 ASP H 2.500 . 3.300 2.663 2.416 2.920 . 0 0 "[ . 1 .]" 1
1137 1 60 LYS HB2 1 61 ASP H 3.400 . 4.800 3.973 3.527 4.312 . 0 0 "[ . 1 .]" 1
1138 1 60 LYS QD 1 61 ASP H 3.100 . 4.300 3.677 2.317 4.350 0.050 13 0 "[ . 1 .]" 1
1139 1 61 ASP H 1 61 ASP HA 2.800 . 3.800 2.896 2.836 2.944 . 0 0 "[ . 1 .]" 1
1140 1 61 ASP H 1 61 ASP HB3 3.500 . 5.000 3.179 2.772 3.759 . 0 0 "[ . 1 .]" 1
1141 1 61 ASP H 1 61 ASP HB2 3.300 . 4.700 3.556 2.620 4.048 . 0 0 "[ . 1 .]" 1
1142 1 11 THR MG 1 62 ARG H 3.500 . 5.000 3.295 2.896 3.733 . 0 0 "[ . 1 .]" 1
1143 1 61 ASP HA 1 62 ARG H 2.600 . 3.500 2.486 2.256 2.772 . 0 0 "[ . 1 .]" 1
1144 1 61 ASP HB3 1 62 ARG H 3.100 . 4.300 3.483 2.286 4.034 . 0 0 "[ . 1 .]" 1
1145 1 61 ASP HB2 1 62 ARG H 3.400 . 4.900 3.073 1.995 4.025 . 0 0 "[ . 1 .]" 1
1146 1 62 ARG H 1 62 ARG QB 2.700 . 3.600 2.406 2.199 2.683 . 0 0 "[ . 1 .]" 1
1147 1 62 ARG H 1 65 ALA MB 4.600 . 6.000 4.521 4.401 4.673 . 0 0 "[ . 1 .]" 1
1148 1 62 ARG H 1 63 ALA H 2.900 . 4.000 2.598 2.438 2.674 . 0 0 "[ . 1 .]" 1
1149 1 62 ARG HA 1 63 ALA H 3.300 . 4.700 3.519 3.442 3.554 . 0 0 "[ . 1 .]" 1
1150 1 62 ARG QB 1 63 ALA H 2.900 . 4.000 2.946 2.456 3.619 . 0 0 "[ . 1 .]" 1
1151 1 62 ARG QD 1 63 ALA H 2.900 . 6.000 4.696 2.884 5.375 . 0 0 "[ . 1 .]" 1
1152 1 63 ALA H 1 63 ALA HA 2.800 . 3.800 2.829 2.783 2.864 . 0 0 "[ . 1 .]" 1
1153 1 63 ALA H 1 63 ALA MB 2.300 . 3.000 2.246 2.214 2.262 . 0 0 "[ . 1 .]" 1
1154 1 63 ALA H 1 64 SER H 2.700 . 3.600 2.662 2.528 2.863 . 0 0 "[ . 1 .]" 1
1155 1 63 ALA HA 1 64 SER H 3.400 . 4.800 3.548 3.520 3.565 . 0 0 "[ . 1 .]" 1
1156 1 63 ALA MB 1 64 SER H 2.400 . 3.100 2.473 2.347 2.569 . 0 0 "[ . 1 .]" 1
1157 1 64 SER H 1 64 SER HA 2.800 . 3.800 2.825 2.803 2.850 . 0 0 "[ . 1 .]" 1
1158 1 64 SER H 1 64 SER HB3 3.300 . 4.700 3.258 2.715 3.606 . 0 0 "[ . 1 .]" 1
1159 1 64 SER H 1 64 SER HB2 2.400 . 3.100 3.001 2.546 3.593 0.493 4 0 "[ . 1 .]" 1
1160 1 64 SER H 1 65 ALA H 2.600 . 3.400 2.602 2.496 2.716 . 0 0 "[ . 1 .]" 1
1161 1 59 MET HB2 1 65 ALA H 3.500 . 5.100 3.334 3.030 3.742 . 0 0 "[ . 1 .]" 1
1162 1 60 LYS QG 1 65 ALA H 3.400 . 6.000 5.456 4.398 6.196 0.196 2 0 "[ . 1 .]" 1
1163 1 61 ASP H 1 65 ALA H 3.500 . 5.000 3.902 3.399 4.400 . 0 0 "[ . 1 .]" 1
1164 1 64 SER HB3 1 65 ALA H 3.700 . 5.400 3.880 3.604 4.113 . 0 0 "[ . 1 .]" 1
1165 1 65 ALA H 1 65 ALA MB 2.300 . 3.000 2.237 2.231 2.248 . 0 0 "[ . 1 .]" 1
1166 1 65 ALA H 1 66 GLU H 2.600 . 3.400 2.796 2.647 2.993 . 0 0 "[ . 1 .]" 1
1167 1 65 ALA H 1 68 ALA H 3.700 . 5.400 4.854 4.717 4.982 . 0 0 "[ . 1 .]" 1
1168 1 22 THR MG 1 28 HIS H 4.000 . 6.000 5.387 5.213 5.603 . 0 0 "[ . 1 .]" 1
1169 1 63 ALA HA 1 66 GLU H 3.200 . 4.500 3.492 3.230 3.707 . 0 0 "[ . 1 .]" 1
1170 1 65 ALA MB 1 66 GLU H 2.800 . 3.800 2.415 2.323 2.560 . 0 0 "[ . 1 .]" 1
1171 1 66 GLU H 1 66 GLU HA 2.800 . 3.800 2.822 2.770 2.861 . 0 0 "[ . 1 .]" 1
1172 1 66 GLU H 1 66 GLU HB2 2.800 . 3.800 2.819 2.126 3.644 . 0 0 "[ . 1 .]" 1
1173 1 66 GLU H 1 66 GLU HG2 2.400 . 3.100 3.019 2.028 3.574 0.474 11 0 "[ . 1 .]" 1
1174 1 66 GLU H 1 67 ARG H 2.600 . 3.400 2.636 2.483 2.850 . 0 0 "[ . 1 .]" 1
1175 1 34 PHE QD 1 67 ARG H 4.700 . 6.000 5.726 5.128 6.048 0.048 7 0 "[ . 1 .]" 1
1176 1 64 SER H 1 67 ARG H 3.700 . 5.400 4.720 4.579 4.879 . 0 0 "[ . 1 .]" 1
1177 1 64 SER HA 1 67 ARG H 3.200 . 4.500 3.430 3.236 3.642 . 0 0 "[ . 1 .]" 1
1178 1 66 GLU HG2 1 67 ARG H 3.600 . 5.200 4.427 2.989 5.103 . 0 0 "[ . 1 .]" 1
1179 1 67 ARG H 1 67 ARG HB3 2.700 . 3.600 2.840 2.411 3.603 0.003 12 0 "[ . 1 .]" 1
1180 1 67 ARG H 1 67 ARG HB2 2.100 . 2.700 2.469 2.337 2.638 . 0 0 "[ . 1 .]" 1
1181 1 13 ILE MD 1 68 ALA H 4.100 . 6.000 3.901 3.708 4.306 . 0 0 "[ . 1 .]" 1
1182 1 65 ALA HA 1 68 ALA H 3.100 . 4.300 3.518 3.290 3.702 . 0 0 "[ . 1 .]" 1
1183 1 66 GLU H 1 68 ALA H 3.800 . 5.600 4.125 3.888 4.400 . 0 0 "[ . 1 .]" 1
1184 1 67 ARG HA 1 68 ALA H 3.200 . 4.500 3.505 3.452 3.545 . 0 0 "[ . 1 .]" 1
1185 1 67 ARG HB3 1 68 ALA H 2.800 . 3.800 2.970 2.560 3.647 . 0 0 "[ . 1 .]" 1
1186 1 67 ARG HG3 1 68 ALA H 3.500 . 5.000 4.748 4.335 5.019 0.019 3 0 "[ . 1 .]" 1
1187 1 68 ALA H 1 68 ALA HA 2.600 . 3.500 2.874 2.838 2.915 . 0 0 "[ . 1 .]" 1
1188 1 68 ALA H 1 68 ALA MB 2.300 . 2.900 2.258 2.235 2.294 . 0 0 "[ . 1 .]" 1
1189 1 68 ALA H 1 69 CYS H 2.600 . 3.500 2.436 2.274 2.586 . 0 0 "[ . 1 .]" 1
1190 1 13 ILE MD 1 69 CYS H 3.900 . 5.800 3.635 3.169 4.242 . 0 0 "[ . 1 .]" 1
1191 1 66 GLU HA 1 69 CYS H 3.000 . 4.100 3.022 2.674 3.282 . 0 0 "[ . 1 .]" 1
1192 1 68 ALA HA 1 69 CYS H 3.400 . 4.800 3.500 3.439 3.558 . 0 0 "[ . 1 .]" 1
1193 1 68 ALA MB 1 69 CYS H 2.900 . 4.000 2.696 2.510 2.977 . 0 0 "[ . 1 .]" 1
1194 1 69 CYS H 1 69 CYS HB3 3.000 . 4.200 2.839 2.504 3.694 . 0 0 "[ . 1 .]" 1
1195 1 69 CYS H 1 69 CYS HB2 2.600 . 3.400 2.765 2.443 3.656 0.256 12 0 "[ . 1 .]" 1
1196 1 69 CYS H 1 70 LYS QB 4.800 . 6.000 4.420 3.994 4.731 . 0 0 "[ . 1 .]" 1
1197 1 70 LYS H 1 70 LYS HB3 3.200 . 4.500 2.981 2.169 3.395 . 0 0 "[ . 1 .]" 1
1198 1 69 CYS H 1 70 LYS H 2.400 . 3.100 2.501 2.327 2.595 . 0 0 "[ . 1 .]" 1
1199 1 69 CYS HA 1 70 LYS H 3.300 . 4.700 3.281 3.142 3.382 . 0 0 "[ . 1 .]" 1
1200 1 69 CYS HB3 1 70 LYS H 4.000 . 6.000 3.821 3.299 4.542 . 0 0 "[ . 1 .]" 1
1201 1 69 CYS HB2 1 70 LYS H 4.000 . 6.000 4.138 3.373 4.392 . 0 0 "[ . 1 .]" 1
1202 1 70 LYS H 1 70 LYS HA 2.500 . 3.300 2.812 2.770 2.858 . 0 0 "[ . 1 .]" 1
1203 1 70 LYS H 1 70 LYS HB2 2.100 . 2.700 2.422 2.204 2.786 0.086 3 0 "[ . 1 .]" 1
1204 1 70 LYS H 1 70 LYS QG 3.200 . 4.500 2.953 2.281 4.047 . 0 0 "[ . 1 .]" 1
1205 1 70 LYS H 1 71 ASP H 2.700 . 3.600 2.666 2.550 2.800 . 0 0 "[ . 1 .]" 1
1206 1 70 LYS HA 1 71 ASP H 3.400 . 4.800 3.458 3.373 3.545 . 0 0 "[ . 1 .]" 1
1207 1 70 LYS QB 1 71 ASP H 2.600 . 3.500 2.917 2.359 3.230 . 0 0 "[ . 1 .]" 1
1208 1 70 LYS HG3 1 71 ASP H 4.000 . 6.000 4.896 3.171 5.608 . 0 0 "[ . 1 .]" 1
1209 1 71 ASP H 1 71 ASP HA 2.900 . 3.900 2.944 2.934 2.950 . 0 0 "[ . 1 .]" 1
1210 1 71 ASP H 1 71 ASP HB3 3.000 . 4.100 3.019 2.700 3.656 . 0 0 "[ . 1 .]" 1
1211 1 71 ASP H 1 71 ASP HB2 2.400 . 3.100 2.744 2.353 3.004 . 0 0 "[ . 1 .]" 1
1212 1 71 ASP HA 1 73 ASN H 4.200 . 6.000 3.760 3.438 4.205 . 0 0 "[ . 1 .]" 1
1213 1 72 PRO HD3 1 73 ASN H 3.700 . 5.400 3.868 3.709 3.979 . 0 0 "[ . 1 .]" 1
1214 1 72 PRO HD2 1 73 ASN H 3.300 . 4.700 2.635 2.314 2.869 . 0 0 "[ . 1 .]" 1
1215 1 72 PRO QG 1 73 ASN H 2.900 . 3.900 2.892 2.221 3.872 . 0 0 "[ . 1 .]" 1
1216 1 73 ASN H 1 73 ASN HA 2.700 . 3.600 2.937 2.899 2.947 . 0 0 "[ . 1 .]" 1
1217 1 73 ASN H 1 73 ASN HB3 3.300 . 4.700 3.742 3.512 3.835 . 0 0 "[ . 1 .]" 1
1218 1 73 ASN H 1 73 ASN HB2 2.800 . 3.800 2.662 2.602 2.876 . 0 0 "[ . 1 .]" 1
1219 1 73 ASN H 1 73 ASN HD21 3.400 . 4.900 4.050 3.272 4.958 0.058 2 0 "[ . 1 .]" 1
1220 1 73 ASN H 1 74 PRO HD3 2.900 . 3.900 3.149 2.656 3.467 . 0 0 "[ . 1 .]" 1
1221 1 73 ASN H 1 74 PRO HD2 3.900 . 5.800 4.462 3.795 4.847 . 0 0 "[ . 1 .]" 1
1222 1 73 ASN H 1 83 VAL H 4.100 . 6.000 4.863 4.534 5.249 . 0 0 "[ . 1 .]" 1
1223 1 73 ASN HA 1 73 ASN HD21 2.500 . 3.300 1.919 1.679 3.044 0.021 12 0 "[ . 1 .]" 1
1224 1 73 ASN HA 1 73 ASN HD22 4.200 . 6.000 3.390 3.289 3.744 . 0 0 "[ . 1 .]" 1
1225 1 73 ASN HB3 1 73 ASN HD21 2.900 . 4.000 2.970 2.292 3.500 . 0 0 "[ . 1 .]" 1
1226 1 73 ASN HB2 1 73 ASN HD21 3.300 . 4.700 3.362 2.301 3.530 . 0 0 "[ . 1 .]" 1
1227 1 73 ASN HB2 1 73 ASN HD22 4.000 . 6.000 3.999 3.513 4.085 . 0 0 "[ . 1 .]" 1
1228 1 73 ASN HD21 1 82 ASN HA 2.900 . 3.900 2.496 1.964 3.065 . 0 0 "[ . 1 .]" 1
1229 1 73 ASN HD22 1 82 ASN HA 3.800 . 5.600 3.049 2.590 3.521 . 0 0 "[ . 1 .]" 1
1230 1 74 PRO HA 1 75 ILE H 2.200 . 2.800 2.289 2.200 2.402 . 0 0 "[ . 1 .]" 1
1231 1 74 PRO HB3 1 75 ILE H 3.700 . 5.400 3.499 3.195 3.907 . 0 0 "[ . 1 .]" 1
1232 1 74 PRO QG 1 75 ILE H 4.300 . 6.000 4.505 4.086 4.722 . 0 0 "[ . 1 .]" 1
1233 1 75 ILE H 1 75 ILE HA 2.800 . 3.800 2.921 2.903 2.938 . 0 0 "[ . 1 .]" 1
1234 1 75 ILE H 1 75 ILE HB 2.400 . 3.100 2.558 2.497 2.625 . 0 0 "[ . 1 .]" 1
1235 1 75 ILE H 1 75 ILE MD 3.900 . 5.800 3.423 3.232 3.583 . 0 0 "[ . 1 .]" 1
1236 1 75 ILE HA 1 76 ILE H 2.100 . 2.700 2.163 2.115 2.211 . 0 0 "[ . 1 .]" 1
1237 1 76 ILE H 1 76 ILE HA 3.000 . 4.100 2.948 2.936 2.955 . 0 0 "[ . 1 .]" 1
1238 1 76 ILE H 1 76 ILE HB 2.600 . 3.400 2.647 2.578 2.707 . 0 0 "[ . 1 .]" 1
1239 1 76 ILE H 1 78 GLY H 3.600 . 5.200 3.839 3.686 4.064 . 0 0 "[ . 1 .]" 1
1240 1 76 ILE H 1 78 GLY HA2 3.700 . 5.400 5.234 4.950 5.411 0.011 8 0 "[ . 1 .]" 1
1241 1 76 ILE H 1 79 ARG H 3.100 . 4.300 3.278 3.017 3.624 . 0 0 "[ . 1 .]" 1
1242 1 76 ILE H 1 81 ALA H 3.500 . 5.000 3.397 3.109 3.688 . 0 0 "[ . 1 .]" 1
1243 1 26 THR MG 1 77 ASP H 3.700 . 5.400 4.788 3.889 5.444 0.044 10 0 "[ . 1 .]" 1
1244 1 76 ILE H 1 77 ASP H 4.500 . 6.000 4.290 4.172 4.366 . 0 0 "[ . 1 .]" 1
1245 1 76 ILE HA 1 77 ASP H 2.200 . 2.800 2.138 2.095 2.179 . 0 0 "[ . 1 .]" 1
1246 1 77 ASP H 1 77 ASP HA 2.200 . 2.800 2.271 2.261 2.283 . 0 0 "[ . 1 .]" 1
1247 1 77 ASP H 1 77 ASP HB3 3.600 . 5.200 3.652 3.566 3.708 . 0 0 "[ . 1 .]" 1
1248 1 77 ASP H 1 77 ASP HB2 3.400 . 4.800 3.148 3.069 3.211 . 0 0 "[ . 1 .]" 1
1249 1 75 ILE MD 1 78 GLY H 5.200 . 6.000 5.085 4.880 5.331 . 0 0 "[ . 1 .]" 1
1250 1 76 ILE HA 1 78 GLY H 3.300 . 4.600 3.521 3.267 3.725 . 0 0 "[ . 1 .]" 1
1251 1 77 ASP H 1 78 GLY H 2.900 . 3.900 2.595 2.539 2.676 . 0 0 "[ . 1 .]" 1
1252 1 77 ASP HA 1 78 GLY H 2.800 . 3.800 3.048 2.909 3.122 . 0 0 "[ . 1 .]" 1
1253 1 78 GLY H 1 78 GLY HA3 2.800 . 3.800 2.919 2.892 2.946 . 0 0 "[ . 1 .]" 1
1254 1 78 GLY H 1 78 GLY HA2 2.500 . 3.300 2.357 2.322 2.414 . 0 0 "[ . 1 .]" 1
1255 1 19 PRO HG3 1 79 ARG H 4.300 . 6.000 4.623 2.963 5.655 . 0 0 "[ . 1 .]" 1
1256 1 76 ILE HA 1 79 ARG H 4.100 . 6.000 4.472 4.334 4.787 . 0 0 "[ . 1 .]" 1
1257 1 78 GLY H 1 79 ARG H 2.700 . 3.600 2.412 2.326 2.531 . 0 0 "[ . 1 .]" 1
1258 1 78 GLY HA3 1 79 ARG H 3.500 . 5.000 3.290 3.127 3.404 . 0 0 "[ . 1 .]" 1
1259 1 78 GLY HA2 1 79 ARG H 3.600 . 5.200 3.268 3.174 3.434 . 0 0 "[ . 1 .]" 1
1260 1 79 ARG H 1 79 ARG HA 2.700 . 3.600 2.935 2.901 2.954 . 0 0 "[ . 1 .]" 1
1261 1 79 ARG H 1 79 ARG HB2 2.600 . 3.400 2.634 2.474 2.935 . 0 0 "[ . 1 .]" 1
1262 1 79 ARG H 1 79 ARG HB3 2.600 . 3.500 3.242 2.768 3.706 0.206 12 0 "[ . 1 .]" 1
1263 1 79 ARG H 1 80 LYS H 3.400 . 4.900 4.479 4.323 4.552 . 0 0 "[ . 1 .]" 1
1264 1 75 ILE MD 1 80 LYS H 4.200 . 6.000 3.793 3.234 4.194 . 0 0 "[ . 1 .]" 1
1265 1 79 ARG HA 1 80 LYS H 2.100 . 2.600 2.259 2.170 2.355 . 0 0 "[ . 1 .]" 1
1266 1 79 ARG HB2 1 80 LYS H 3.400 . 4.900 4.050 3.682 4.400 . 0 0 "[ . 1 .]" 1
1267 1 79 ARG HB3 1 80 LYS H 2.900 . 3.900 3.278 2.601 3.875 . 0 0 "[ . 1 .]" 1
1268 1 79 ARG QD 1 80 LYS H 3.300 . 4.700 3.599 2.744 4.665 . 0 0 "[ . 1 .]" 1
1269 1 80 LYS H 1 80 LYS QB 2.400 . 3.100 2.234 1.967 2.295 . 0 0 "[ . 1 .]" 1
1270 1 80 LYS H 1 80 LYS HA 2.700 . 3.600 2.886 2.862 2.917 . 0 0 "[ . 1 .]" 1
1271 1 80 LYS H 1 80 LYS QG 4.000 . 6.000 3.778 2.037 4.015 . 0 0 "[ . 1 .]" 1
1272 1 80 LYS HB2 1 81 ALA H 4.000 . 6.000 4.364 3.598 4.583 . 0 0 "[ . 1 .]" 1
1273 1 75 ILE HA 1 81 ALA H 3.200 . 4.500 3.369 3.134 3.724 . 0 0 "[ . 1 .]" 1
1274 1 17 GLY HA3 1 81 ALA H 4.000 . 6.000 5.356 5.069 5.687 . 0 0 "[ . 1 .]" 1
1275 1 75 ILE MD 1 81 ALA H 4.200 . 6.000 3.667 3.324 4.146 . 0 0 "[ . 1 .]" 1
1276 1 80 LYS H 1 81 ALA H 3.900 . 5.800 4.334 4.120 4.473 . 0 0 "[ . 1 .]" 1
1277 1 80 LYS QB 1 81 ALA H 3.700 . 5.400 3.082 2.780 3.340 . 0 0 "[ . 1 .]" 1
1278 1 80 LYS HA 1 81 ALA H 2.100 . 2.700 2.144 2.086 2.195 . 0 0 "[ . 1 .]" 1
1279 1 81 ALA H 1 81 ALA HA 3.000 . 4.100 2.916 2.889 2.942 . 0 0 "[ . 1 .]" 1
1280 1 81 ALA H 1 81 ALA MB 2.500 . 3.300 2.315 2.267 2.380 . 0 0 "[ . 1 .]" 1
1281 1 15 VAL HA 1 82 ASN H 3.700 . 5.400 4.266 3.920 4.680 . 0 0 "[ . 1 .]" 1
1282 1 16 GLY H 1 82 ASN H 3.100 . 4.300 3.083 2.814 3.327 . 0 0 "[ . 1 .]" 1
1283 1 16 GLY HA3 1 82 ASN H 3.700 . 5.400 4.081 3.993 4.264 . 0 0 "[ . 1 .]" 1
1284 1 81 ALA HA 1 82 ASN H 2.400 . 3.100 2.375 2.318 2.424 . 0 0 "[ . 1 .]" 1
1285 1 81 ALA MB 1 82 ASN H 2.400 . 3.100 2.383 2.307 2.503 . 0 0 "[ . 1 .]" 1
1286 1 82 ASN H 1 82 ASN HA 2.900 . 4.000 2.945 2.931 2.954 . 0 0 "[ . 1 .]" 1
1287 1 82 ASN H 1 82 ASN HB3 3.100 . 4.300 3.422 2.625 3.781 . 0 0 "[ . 1 .]" 1
1288 1 82 ASN H 1 82 ASN HB2 2.900 . 4.000 2.669 2.425 3.324 . 0 0 "[ . 1 .]" 1
1289 1 82 ASN H 1 83 VAL H 3.900 . 5.800 4.167 4.084 4.282 . 0 0 "[ . 1 .]" 1
1290 1 82 ASN HB3 1 82 ASN HD21 3.200 . 4.400 2.995 2.227 3.513 . 0 0 "[ . 1 .]" 1
1291 1 82 ASN HB2 1 82 ASN HD21 3.300 . 4.700 2.749 2.170 3.543 . 0 0 "[ . 1 .]" 1
1292 1 82 ASN HB2 1 83 VAL H 4.000 . 6.000 4.402 4.154 4.557 . 0 0 "[ . 1 .]" 1
1293 1 72 PRO HA 1 83 VAL H 3.400 . 4.800 3.234 2.874 3.639 . 0 0 "[ . 1 .]" 1
1294 1 73 ASN HA 1 83 VAL H 3.900 . 5.800 3.626 3.304 3.918 . 0 0 "[ . 1 .]" 1
1295 1 73 ASN HD21 1 83 VAL H 4.100 . 6.000 3.762 3.342 4.855 . 0 0 "[ . 1 .]" 1
1296 1 73 ASN HD22 1 83 VAL H 3.300 . 6.000 4.547 4.134 5.039 . 0 0 "[ . 1 .]" 1
1297 1 82 ASN HA 1 83 VAL H 2.200 . 2.800 2.137 2.089 2.175 . 0 0 "[ . 1 .]" 1
1298 1 83 VAL H 1 83 VAL HA 3.000 . 4.100 2.942 2.933 2.949 . 0 0 "[ . 1 .]" 1
1299 1 83 VAL H 1 83 VAL HB 2.700 . 3.600 2.551 2.478 2.604 . 0 0 "[ . 1 .]" 1
1300 1 14 PHE H 1 84 ASN H 3.100 . 4.300 3.182 2.970 3.445 . 0 0 "[ . 1 .]" 1
1301 1 14 PHE QD 1 84 ASN H 3.500 . 5.000 4.037 3.623 4.459 . 0 0 "[ . 1 .]" 1
1302 1 15 VAL HA 1 84 ASN H 3.600 . 5.300 3.863 3.522 4.144 . 0 0 "[ . 1 .]" 1
1303 1 83 VAL HA 1 84 ASN H 2.100 . 2.700 2.148 2.130 2.190 . 0 0 "[ . 1 .]" 1
1304 1 83 VAL HB 1 84 ASN H 4.000 . 6.000 4.204 4.148 4.285 . 0 0 "[ . 1 .]" 1
1305 1 84 ASN H 1 84 ASN HA 2.700 . 3.600 2.876 2.838 2.913 . 0 0 "[ . 1 .]" 1
1306 1 84 ASN H 1 84 ASN HB3 3.100 . 4.300 3.105 2.945 3.472 . 0 0 "[ . 1 .]" 1
1307 1 84 ASN H 1 84 ASN HB2 3.800 . 5.600 3.495 3.088 4.059 . 0 0 "[ . 1 .]" 1
1308 1 84 ASN HB3 1 84 ASN HD21 3.200 . 4.500 2.615 2.171 3.531 . 0 0 "[ . 1 .]" 1
1309 1 84 ASN HB2 1 84 ASN HD21 3.200 . 4.500 2.749 2.211 3.431 . 0 0 "[ . 1 .]" 1
1310 1 84 ASN HD22 1 88 LEU MD1 4.200 . 6.000 3.092 1.478 4.566 0.522 3 1 "[ + . 1 .]" 1
1311 1 85 LEU H 1 85 LEU MD1 4.300 . 6.000 3.659 3.569 3.807 . 0 0 "[ . 1 .]" 1
1312 1 84 ASN HA 1 85 LEU H 2.400 . 3.100 2.376 2.266 2.542 . 0 0 "[ . 1 .]" 1
1313 1 84 ASN HB3 1 85 LEU H 3.300 . 4.600 3.717 3.060 4.008 . 0 0 "[ . 1 .]" 1
1314 1 84 ASN HB2 1 85 LEU H 3.100 . 4.300 3.663 2.316 4.093 . 0 0 "[ . 1 .]" 1
1315 1 84 ASN HD21 1 85 LEU H 3.900 . 5.800 4.020 2.165 4.733 . 0 0 "[ . 1 .]" 1
1316 1 85 LEU H 1 85 LEU QB 2.500 . 3.300 2.416 2.366 2.483 . 0 0 "[ . 1 .]" 1
1317 1 85 LEU H 1 85 LEU HG 2.400 . 3.100 2.401 2.160 2.665 . 0 0 "[ . 1 .]" 1
1318 1 13 ILE HA 1 86 ALA H 2.900 . 4.000 2.960 2.524 3.289 . 0 0 "[ . 1 .]" 1
1319 1 85 LEU HA 1 86 ALA H 2.400 . 3.100 2.180 2.133 2.241 . 0 0 "[ . 1 .]" 1
1320 1 85 LEU QB 1 86 ALA H 3.300 . 4.700 3.019 2.765 3.193 . 0 0 "[ . 1 .]" 1
1321 1 85 LEU MD2 1 86 ALA H 4.000 . 6.000 3.477 3.382 3.579 . 0 0 "[ . 1 .]" 1
1322 1 86 ALA H 1 86 ALA MB 2.600 . 3.400 2.227 2.210 2.246 . 0 0 "[ . 1 .]" 1
1323 1 85 LEU QB 1 87 TYR H 3.200 . 4.500 2.896 2.601 3.182 . 0 0 "[ . 1 .]" 1
1324 1 86 ALA H 1 87 TYR H 3.100 . 4.300 2.716 2.599 2.830 . 0 0 "[ . 1 .]" 1
1325 1 86 ALA HA 1 87 TYR H 3.700 . 5.400 3.470 3.370 3.537 . 0 0 "[ . 1 .]" 1
1326 1 86 ALA MB 1 87 TYR H 2.900 . 4.000 2.898 2.646 3.185 . 0 0 "[ . 1 .]" 1
1327 1 87 TYR H 1 87 TYR HA 2.900 . 3.900 2.853 2.807 2.900 . 0 0 "[ . 1 .]" 1
1328 1 87 TYR H 1 87 TYR HB3 2.500 . 3.300 2.374 2.032 2.638 . 0 0 "[ . 1 .]" 1
1329 1 87 TYR H 1 87 TYR HB2 3.900 . 5.800 3.552 3.167 3.679 . 0 0 "[ . 1 .]" 1
1330 1 87 TYR H 1 87 TYR QD 2.800 . 3.800 2.341 1.951 3.481 . 0 0 "[ . 1 .]" 1
1331 1 87 TYR H 1 88 LEU H 3.100 . 4.300 2.552 2.321 2.679 . 0 0 "[ . 1 .]" 1
1332 1 87 TYR HA 1 88 LEU H 3.300 . 4.700 3.374 3.304 3.481 . 0 0 "[ . 1 .]" 1
1333 1 88 LEU H 1 88 LEU HB3 3.700 . 5.500 3.618 3.591 3.697 . 0 0 "[ . 1 .]" 1
1334 1 88 LEU H 1 88 LEU HB2 3.200 . 4.400 2.424 2.373 2.523 . 0 0 "[ . 1 .]" 1
1335 1 88 LEU H 1 88 LEU MD1 4.200 . 6.000 3.758 3.627 3.926 . 0 0 "[ . 1 .]" 1
1336 1 88 LEU H 1 88 LEU HG 2.900 . 3.900 2.652 2.372 2.973 . 0 0 "[ . 1 .]" 1
1337 1 86 ALA HA 1 89 GLY H 3.500 . 5.100 3.681 3.170 3.983 . 0 0 "[ . 1 .]" 1
1338 1 88 LEU H 1 89 GLY H 2.900 . 3.900 2.429 2.071 2.732 . 0 0 "[ . 1 .]" 1
1339 1 88 LEU HA 1 89 GLY H 3.200 . 4.500 3.405 3.196 3.576 . 0 0 "[ . 1 .]" 1
1340 1 88 LEU HB3 1 89 GLY H 4.100 . 6.000 3.884 3.047 4.280 . 0 0 "[ . 1 .]" 1
1341 1 88 LEU HB2 1 89 GLY H 3.600 . 5.200 3.080 2.217 3.706 . 0 0 "[ . 1 .]" 1
1342 1 88 LEU MD2 1 89 GLY H 3.400 . 4.800 4.687 4.518 4.769 . 0 0 "[ . 1 .]" 1
1343 1 89 GLY H 1 89 GLY HA3 2.800 . 3.800 2.879 2.463 2.958 . 0 0 "[ . 1 .]" 1
1344 1 89 GLY H 1 89 GLY HA2 2.700 . 3.600 2.619 2.358 2.955 . 0 0 "[ . 1 .]" 1
1345 1 89 GLY H 1 90 ALA H 4.000 . 6.000 2.864 2.006 4.376 . 0 0 "[ . 1 .]" 1
1346 1 89 GLY HA2 1 90 ALA H 2.700 . 3.600 2.410 2.124 2.796 . 0 0 "[ . 1 .]" 1
1347 1 90 ALA H 1 90 ALA MB 2.700 . 3.600 2.316 2.245 2.563 . 0 0 "[ . 1 .]" 1
1348 1 90 ALA H 1 91 LYS H 4.300 . 6.000 4.340 4.173 4.610 . 0 0 "[ . 1 .]" 1
1349 1 90 ALA HA 1 91 LYS H 2.600 . 3.400 2.231 2.124 2.648 . 0 0 "[ . 1 .]" 1
1350 1 90 ALA MB 1 91 LYS H 3.300 . 4.600 3.138 1.971 3.538 0.029 8 0 "[ . 1 .]" 1
1351 1 91 LYS H 1 91 LYS HA 3.000 . 4.100 2.912 2.740 2.946 . 0 0 "[ . 1 .]" 1
1352 1 91 LYS H 1 91 LYS HB3 3.500 . 5.100 3.348 2.534 3.736 . 0 0 "[ . 1 .]" 1
1353 1 91 LYS H 1 91 LYS HB2 3.100 . 4.300 2.786 2.412 3.734 . 0 0 "[ . 1 .]" 1
1354 1 91 LYS H 1 91 LYS QG 3.400 . 4.800 2.900 1.993 4.050 0.007 8 0 "[ . 1 .]" 1
1355 1 92 PRO HA 1 93 ARG H 2.500 . 3.300 2.759 2.112 3.516 0.216 12 0 "[ . 1 .]" 1
1356 1 93 ARG H 1 93 ARG QG 3.700 . 5.400 2.922 1.930 4.323 0.070 1 0 "[ . 1 .]" 1
1357 1 93 ARG HA 1 94 THR H 3.100 . 4.300 2.665 2.184 3.555 . 0 0 "[ . 1 .]" 1
1358 1 96 VAL H 1 96 VAL HB 3.400 . 4.800 3.280 2.579 3.886 . 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 50
_Distance_constraint_stats_list.Viol_count 196
_Distance_constraint_stats_list.Viol_total 96.726
_Distance_constraint_stats_list.Viol_max 0.154
_Distance_constraint_stats_list.Viol_rms 0.0199
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.0329
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 13 ILE 0.484 0.053 2 0 "[ . 1 .]"
1 14 PHE 0.255 0.049 7 0 "[ . 1 .]"
1 15 VAL 0.071 0.022 9 0 "[ . 1 .]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 23 SER 0.081 0.031 6 0 "[ . 1 .]"
1 24 ASP 0.059 0.021 10 0 "[ . 1 .]"
1 25 LYS 0.006 0.003 6 0 "[ . 1 .]"
1 26 THR 0.645 0.077 1 0 "[ . 1 .]"
1 27 LEU 0.349 0.041 5 0 "[ . 1 .]"
1 28 HIS 0.117 0.027 13 0 "[ . 1 .]"
1 29 GLU 0.006 0.003 6 0 "[ . 1 .]"
1 30 TYR 0.645 0.077 1 0 "[ . 1 .]"
1 31 PHE 0.268 0.041 5 0 "[ . 1 .]"
1 32 GLU 0.058 0.027 13 0 "[ . 1 .]"
1 39 GLU 2.231 0.084 13 0 "[ . 1 .]"
1 41 VAL 0.082 0.039 13 0 "[ . 1 .]"
1 55 GLY 0.071 0.022 9 0 "[ . 1 .]"
1 56 PHE 0.082 0.039 13 0 "[ . 1 .]"
1 57 VAL 0.484 0.053 2 0 "[ . 1 .]"
1 58 THR 2.231 0.084 13 0 "[ . 1 .]"
1 61 ASP 0.133 0.077 15 0 "[ . 1 .]"
1 62 ARG 0.172 0.042 10 0 "[ . 1 .]"
1 63 ALA 0.038 0.024 1 0 "[ . 1 .]"
1 64 SER 0.419 0.067 9 0 "[ . 1 .]"
1 65 ALA 0.180 0.077 15 0 "[ . 1 .]"
1 66 GLU 1.505 0.154 10 0 "[ . 1 .]"
1 67 ARG 0.038 0.024 1 0 "[ . 1 .]"
1 68 ALA 0.419 0.067 9 0 "[ . 1 .]"
1 69 CYS 0.047 0.024 11 0 "[ . 1 .]"
1 70 LYS 1.333 0.154 10 0 "[ . 1 .]"
1 74 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 76 ILE 0.066 0.030 14 0 "[ . 1 .]"
1 79 ARG 0.066 0.030 14 0 "[ . 1 .]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 84 ASN 0.255 0.049 7 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 13 ILE N 1 57 VAL O 2.740 2.740 3.240 2.731 2.709 2.754 0.031 2 0 "[ . 1 .]" 2
2 1 13 ILE H 1 57 VAL O 1.790 . 2.290 1.769 1.737 1.791 0.053 2 0 "[ . 1 .]" 2
3 1 14 PHE N 1 84 ASN O 2.740 2.740 3.240 2.747 2.691 2.823 0.049 7 0 "[ . 1 .]" 2
4 1 14 PHE H 1 84 ASN O 1.790 . 2.290 1.805 1.755 1.910 0.035 2 0 "[ . 1 .]" 2
5 1 15 VAL N 1 55 GLY O 2.740 2.740 3.240 2.887 2.808 2.979 . 0 0 "[ . 1 .]" 2
6 1 15 VAL H 1 55 GLY O 1.790 . 2.290 1.953 1.867 2.072 . 0 0 "[ . 1 .]" 2
7 1 16 GLY N 1 82 ASN O 2.740 2.740 3.240 2.998 2.759 3.217 . 0 0 "[ . 1 .]" 2
8 1 16 GLY H 1 82 ASN O 1.790 . 2.290 2.051 1.800 2.287 . 0 0 "[ . 1 .]" 2
9 1 23 SER O 1 27 LEU N 2.740 2.740 3.240 3.110 2.972 3.270 0.030 7 0 "[ . 1 .]" 2
10 1 23 SER O 1 27 LEU H 1.790 . 2.290 2.148 2.001 2.321 0.031 6 0 "[ . 1 .]" 2
11 1 24 ASP O 1 28 HIS N 2.740 2.740 3.240 2.872 2.719 3.058 0.021 10 0 "[ . 1 .]" 2
12 1 24 ASP O 1 28 HIS H 1.790 . 2.290 1.925 1.775 2.092 0.015 11 0 "[ . 1 .]" 2
13 1 25 LYS O 1 29 GLU N 2.740 2.740 3.240 2.836 2.737 3.118 0.003 6 0 "[ . 1 .]" 2
14 1 25 LYS O 1 29 GLU H 1.790 . 2.290 1.921 1.801 2.202 . 0 0 "[ . 1 .]" 2
15 1 26 THR O 1 30 TYR N 2.740 2.740 3.240 3.208 2.981 3.298 0.058 4 0 "[ . 1 .]" 2
16 1 26 THR O 1 30 TYR H 1.790 . 2.290 2.302 2.053 2.367 0.077 1 0 "[ . 1 .]" 2
17 1 27 LEU O 1 31 PHE N 2.740 2.740 3.240 3.188 2.909 3.267 0.027 5 0 "[ . 1 .]" 2
18 1 27 LEU O 1 31 PHE H 1.790 . 2.290 2.273 2.014 2.331 0.041 5 0 "[ . 1 .]" 2
19 1 28 HIS O 1 32 GLU N 2.740 2.740 3.240 2.839 2.713 3.113 0.027 13 0 "[ . 1 .]" 2
20 1 28 HIS O 1 32 GLU H 1.790 . 2.290 1.972 1.839 2.190 . 0 0 "[ . 1 .]" 2
21 1 39 GLU N 1 58 THR O 2.740 2.740 3.240 3.238 2.981 3.316 0.076 12 0 "[ . 1 .]" 2
22 1 39 GLU H 1 58 THR O 1.790 . 2.290 2.295 2.025 2.361 0.071 12 0 "[ . 1 .]" 2
23 1 41 VAL N 1 56 PHE O 2.740 2.740 3.240 3.096 2.857 3.246 0.006 5 0 "[ . 1 .]" 2
24 1 41 VAL H 1 56 PHE O 1.790 . 2.290 2.199 1.946 2.329 0.039 13 0 "[ . 1 .]" 2
25 1 15 VAL O 1 55 GLY N 2.740 2.740 3.240 2.826 2.728 2.915 0.012 9 0 "[ . 1 .]" 2
26 1 15 VAL O 1 55 GLY H 1.790 . 2.290 1.872 1.768 1.967 0.022 9 0 "[ . 1 .]" 2
27 1 41 VAL O 1 56 PHE N 2.740 2.740 3.240 2.870 2.762 2.985 . 0 0 "[ . 1 .]" 2
28 1 41 VAL O 1 56 PHE H 1.790 . 2.290 1.935 1.786 2.093 0.004 1 0 "[ . 1 .]" 2
29 1 13 ILE O 1 57 VAL N 2.740 2.740 3.240 2.910 2.816 3.013 . 0 0 "[ . 1 .]" 2
30 1 13 ILE O 1 57 VAL H 1.790 . 2.290 1.942 1.850 2.043 . 0 0 "[ . 1 .]" 2
31 1 39 GLU O 1 58 THR N 2.740 2.740 3.240 2.701 2.669 2.737 0.071 5 0 "[ . 1 .]" 2
32 1 39 GLU O 1 58 THR H 1.790 . 2.290 1.739 1.706 1.835 0.084 13 0 "[ . 1 .]" 2
33 1 61 ASP O 1 65 ALA N 2.740 2.740 3.240 3.086 2.824 3.224 . 0 0 "[ . 1 .]" 2
34 1 61 ASP O 1 65 ALA H 1.790 . 2.290 2.175 1.858 2.367 0.077 15 0 "[ . 1 .]" 2
35 1 62 ARG O 1 66 GLU N 2.740 2.740 3.240 2.811 2.725 3.018 0.015 10 0 "[ . 1 .]" 2
36 1 62 ARG O 1 66 GLU H 1.790 . 2.290 1.863 1.748 2.082 0.042 10 0 "[ . 1 .]" 2
37 1 63 ALA O 1 67 ARG N 2.740 2.740 3.240 3.020 2.878 3.203 . 0 0 "[ . 1 .]" 2
38 1 63 ALA O 1 67 ARG H 1.790 . 2.290 2.150 1.965 2.314 0.024 1 0 "[ . 1 .]" 2
39 1 64 SER O 1 68 ALA N 2.740 2.740 3.240 3.144 2.992 3.272 0.032 13 0 "[ . 1 .]" 2
40 1 64 SER O 1 68 ALA H 1.790 . 2.290 2.305 2.159 2.357 0.067 9 0 "[ . 1 .]" 2
41 1 65 ALA O 1 69 CYS N 2.740 2.740 3.240 2.914 2.732 3.068 0.008 3 0 "[ . 1 .]" 2
42 1 65 ALA O 1 69 CYS H 1.790 . 2.290 2.067 1.776 2.314 0.024 11 0 "[ . 1 .]" 2
43 1 66 GLU O 1 70 LYS N 2.740 2.740 3.240 2.860 2.733 2.986 0.007 3 0 "[ . 1 .]" 2
44 1 66 GLU O 1 70 LYS H 1.790 . 2.290 2.378 2.345 2.444 0.154 10 0 "[ . 1 .]" 2
45 1 76 ILE N 1 79 ARG O 2.740 2.740 3.240 2.841 2.710 3.110 0.030 14 0 "[ . 1 .]" 2
46 1 76 ILE H 1 79 ARG O 1.790 . 2.290 1.970 1.793 2.305 0.015 10 0 "[ . 1 .]" 2
47 1 76 ILE O 1 79 ARG N 2.740 2.740 3.240 2.903 2.817 3.043 . 0 0 "[ . 1 .]" 2
48 1 76 ILE O 1 79 ARG H 1.790 . 2.290 1.979 1.903 2.122 . 0 0 "[ . 1 .]" 2
49 1 74 PRO O 1 81 ALA N 2.740 2.740 3.240 2.912 2.754 3.122 . 0 0 "[ . 1 .]" 2
50 1 74 PRO O 1 81 ALA H 1.790 . 2.290 1.954 1.808 2.142 . 0 0 "[ . 1 .]" 2
stop_
save_
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