NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394024 |
1qzp   |
5968 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qzp
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 929
_Distance_constraint_stats_list.Viol_count 2089
_Distance_constraint_stats_list.Viol_total 2540.196
_Distance_constraint_stats_list.Viol_max 0.298
_Distance_constraint_stats_list.Viol_rms 0.0471
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0162
_Distance_constraint_stats_list.Viol_average_violations_only 0.0935
_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 2 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 3 LEU 1.626 0.140 11 0 "[ . 1 ]"
1 4 GLN 1.899 0.139 2 0 "[ . 1 ]"
1 5 ILE 3.570 0.251 1 0 "[ . 1 ]"
1 6 TYR 0.531 0.086 1 0 "[ . 1 ]"
1 7 PRO 0.560 0.059 2 0 "[ . 1 ]"
1 8 TYR 6.255 0.298 2 0 "[ . 1 ]"
1 9 GLU 6.107 0.298 2 0 "[ . 1 ]"
1 10 MET 4.297 0.190 2 0 "[ . 1 ]"
1 11 LEU 2.645 0.239 1 0 "[ . 1 ]"
1 12 VAL 0.301 0.096 11 0 "[ . 1 ]"
1 13 VAL 2.172 0.218 10 0 "[ . 1 ]"
1 14 THR 4.685 0.212 10 0 "[ . 1 ]"
1 15 ASN 0.887 0.139 13 0 "[ . 1 ]"
1 16 LYS 0.613 0.140 13 0 "[ . 1 ]"
1 17 GLY 0.050 0.035 13 0 "[ . 1 ]"
1 18 ARG 1.841 0.192 9 0 "[ . 1 ]"
1 19 THR 4.710 0.183 5 0 "[ . 1 ]"
1 20 LYS 2.049 0.183 5 0 "[ . 1 ]"
1 21 LEU 2.222 0.158 10 0 "[ . 1 ]"
1 22 PRO 0.139 0.114 1 0 "[ . 1 ]"
1 23 PRO 0.167 0.044 11 0 "[ . 1 ]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 25 VAL 11.892 0.275 7 0 "[ . 1 ]"
1 26 ASP 5.358 0.254 12 0 "[ . 1 ]"
1 27 ARG 0.136 0.136 1 0 "[ . 1 ]"
1 28 MET 2.669 0.202 7 0 "[ . 1 ]"
1 29 ARG 0.420 0.053 7 0 "[ . 1 ]"
1 30 LEU 3.963 0.176 1 0 "[ . 1 ]"
1 31 GLU 2.829 0.095 11 0 "[ . 1 ]"
1 32 ARG 3.885 0.269 11 0 "[ . 1 ]"
1 33 HIS 4.030 0.239 1 0 "[ . 1 ]"
1 34 LEU 5.077 0.240 1 0 "[ . 1 ]"
1 35 SER 6.850 0.251 1 0 "[ . 1 ]"
1 36 ALA 5.533 0.227 11 0 "[ . 1 ]"
1 37 GLU 4.455 0.224 9 0 "[ . 1 ]"
1 38 ASP 7.506 0.224 9 0 "[ . 1 ]"
1 39 PHE 9.180 0.270 10 0 "[ . 1 ]"
1 40 SER 10.558 0.270 10 0 "[ . 1 ]"
1 41 ARG 10.503 0.267 3 0 "[ . 1 ]"
1 42 VAL 6.364 0.240 1 0 "[ . 1 ]"
1 43 PHE 2.435 0.075 11 0 "[ . 1 ]"
1 44 ALA 1.482 0.095 7 0 "[ . 1 ]"
1 45 MET 5.420 0.295 1 0 "[ . 1 ]"
1 46 SER 6.844 0.285 6 0 "[ . 1 ]"
1 47 PRO 9.376 0.285 6 0 "[ . 1 ]"
1 48 GLU 14.047 0.279 12 0 "[ . 1 ]"
1 49 GLU 11.496 0.254 7 0 "[ . 1 ]"
1 50 PHE 7.785 0.224 3 0 "[ . 1 ]"
1 51 GLY 2.586 0.140 12 0 "[ . 1 ]"
1 52 LYS 5.864 0.236 4 0 "[ . 1 ]"
1 53 LEU 5.344 0.236 4 0 "[ . 1 ]"
1 54 ALA 5.063 0.235 10 0 "[ . 1 ]"
1 55 LEU 3.535 0.202 7 0 "[ . 1 ]"
1 56 TRP 7.808 0.202 7 0 "[ . 1 ]"
1 57 LYS 6.323 0.235 10 0 "[ . 1 ]"
1 58 ARG 4.162 0.181 8 0 "[ . 1 ]"
1 59 ASN 5.291 0.193 5 0 "[ . 1 ]"
1 60 GLU 4.901 0.277 12 0 "[ . 1 ]"
1 61 LEU 4.715 0.295 1 0 "[ . 1 ]"
1 62 LYS 6.139 0.228 11 0 "[ . 1 ]"
1 63 LYS 8.125 0.251 2 0 "[ . 1 ]"
1 64 LYS 7.892 0.251 2 0 "[ . 1 ]"
1 65 ALA 8.531 0.243 11 0 "[ . 1 ]"
1 66 SER 1.699 0.151 3 0 "[ . 1 ]"
1 67 LEU 1.051 0.148 1 0 "[ . 1 ]"
1 68 PHE 2.788 0.167 5 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLN QE 1 5 ILE MD 5.100 . 5.100 4.376 4.181 4.511 . 0 0 "[ . 1 ]" 1
2 1 4 GLN QE 1 5 ILE MG 5.100 . 5.100 3.851 3.478 4.195 . 0 0 "[ . 1 ]" 1
3 1 4 GLN QB 1 6 TYR QE 3.500 . 3.500 2.428 1.798 3.143 0.002 1 0 "[ . 1 ]" 1
4 1 4 GLN H 1 6 TYR QE 5.100 . 5.100 4.332 3.900 4.496 . 0 0 "[ . 1 ]" 1
5 1 5 ILE MG 1 6 TYR QD 5.100 . 5.100 4.536 4.492 4.734 . 0 0 "[ . 1 ]" 1
6 1 6 TYR HA 1 6 TYR QD 3.500 . 3.500 2.069 1.952 2.353 . 0 0 "[ . 1 ]" 1
7 1 6 TYR QB 1 6 TYR QD 3.000 . 3.000 2.243 2.144 2.307 . 0 0 "[ . 1 ]" 1
8 1 6 TYR QD 1 7 PRO QD 3.500 . 3.500 3.300 3.095 3.505 0.005 13 0 "[ . 1 ]" 1
9 1 7 PRO QB 1 8 TYR H 5.100 . 5.100 3.986 3.945 4.009 . 0 0 "[ . 1 ]" 1
10 1 8 TYR HA 1 8 TYR QD 3.500 . 3.500 2.416 2.266 2.642 . 0 0 "[ . 1 ]" 1
11 1 8 TYR QB 1 8 TYR QD 3.000 . 3.000 2.152 2.143 2.161 . 0 0 "[ . 1 ]" 1
12 1 9 GLU HA 1 9 GLU QG 3.500 . 3.500 2.730 2.013 3.381 . 0 0 "[ . 1 ]" 1
13 1 9 GLU H 1 9 GLU QB 3.000 . 3.000 2.445 2.049 2.860 . 0 0 "[ . 1 ]" 1
14 1 7 PRO QD 1 10 MET H 5.100 . 5.100 3.418 3.107 3.911 . 0 0 "[ . 1 ]" 1
15 1 9 GLU QB 1 10 MET H 5.100 . 5.100 3.168 2.822 3.620 . 0 0 "[ . 1 ]" 1
16 1 6 TYR QD 1 11 LEU MD1 5.100 . 5.100 2.451 1.714 2.708 0.086 1 0 "[ . 1 ]" 1
17 1 6 TYR QD 1 11 LEU MD2 5.100 . 5.100 1.959 1.852 2.509 . 0 0 "[ . 1 ]" 1
18 1 8 TYR QD 1 12 VAL MG1 5.100 . 5.100 4.037 3.516 4.433 . 0 0 "[ . 1 ]" 1
19 1 8 TYR QE 1 12 VAL MG1 5.100 . 5.100 3.061 2.434 3.718 . 0 0 "[ . 1 ]" 1
20 1 8 TYR QD 1 12 VAL MG2 5.100 . 5.100 2.406 2.052 2.621 . 0 0 "[ . 1 ]" 1
21 1 8 TYR QE 1 12 VAL MG2 5.100 . 5.100 2.404 1.879 2.607 . 0 0 "[ . 1 ]" 1
22 1 15 ASN QB 1 16 LYS H 5.100 . 5.100 3.391 1.964 4.013 . 0 0 "[ . 1 ]" 1
23 1 6 TYR QD 1 22 PRO QB 5.100 . 5.100 3.610 3.258 4.084 . 0 0 "[ . 1 ]" 1
24 1 21 LEU MD1 1 22 PRO QD 5.100 . 5.100 3.451 3.096 3.777 . 0 0 "[ . 1 ]" 1
25 1 21 LEU HA 1 22 PRO QD 3.000 . 3.000 2.053 1.971 2.180 . 0 0 "[ . 1 ]" 1
26 1 22 PRO HA 1 23 PRO QD 3.000 . 3.000 2.031 1.905 2.254 . 0 0 "[ . 1 ]" 1
27 1 6 TYR QD 1 25 VAL MG1 5.100 . 5.100 4.354 4.141 4.515 . 0 0 "[ . 1 ]" 1
28 1 6 TYR QE 1 25 VAL MG1 5.100 . 5.100 3.958 3.724 4.164 . 0 0 "[ . 1 ]" 1
29 1 6 TYR QD 1 25 VAL MG2 5.100 . 5.100 3.256 2.946 3.560 . 0 0 "[ . 1 ]" 1
30 1 6 TYR QE 1 25 VAL MG2 5.100 . 5.100 2.077 1.714 2.316 0.086 1 0 "[ . 1 ]" 1
31 1 22 PRO QB 1 25 VAL MG2 5.100 . 5.100 2.000 1.855 2.135 . 0 0 "[ . 1 ]" 1
32 1 22 PRO QD 1 25 VAL MG2 5.100 . 5.100 1.906 1.686 2.104 0.114 1 0 "[ . 1 ]" 1
33 1 28 MET H 1 28 MET QB 3.500 . 3.500 2.337 2.132 2.622 . 0 0 "[ . 1 ]" 1
34 1 28 MET H 1 28 MET QG 5.100 . 5.100 2.975 2.136 3.898 . 0 0 "[ . 1 ]" 1
35 1 29 ARG H 1 29 ARG QB 3.500 . 3.500 2.730 2.563 2.818 . 0 0 "[ . 1 ]" 1
36 1 4 GLN QB 1 33 HIS HE1 5.100 . 5.100 4.834 4.362 5.109 0.009 7 0 "[ . 1 ]" 1
37 1 6 TYR QD 1 33 HIS QB 5.100 . 5.100 2.617 2.148 2.759 . 0 0 "[ . 1 ]" 1
38 1 6 TYR QD 1 33 HIS HE1 5.100 . 5.100 4.395 4.138 4.784 . 0 0 "[ . 1 ]" 1
39 1 6 TYR QE 1 33 HIS HE1 5.100 . 5.100 2.731 2.582 2.900 . 0 0 "[ . 1 ]" 1
40 1 32 ARG QB 1 33 HIS HD2 5.100 . 5.100 3.779 3.550 4.038 . 0 0 "[ . 1 ]" 1
41 1 8 TYR QD 1 34 LEU MD1 5.100 . 5.100 2.873 2.589 3.062 . 0 0 "[ . 1 ]" 1
42 1 8 TYR QD 1 34 LEU MD2 5.100 . 5.100 1.792 1.639 1.838 0.161 1 0 "[ . 1 ]" 1
43 1 36 ALA H 1 37 GLU QB 5.100 . 5.100 4.629 4.257 4.773 . 0 0 "[ . 1 ]" 1
44 1 37 GLU H 1 37 GLU QB 3.000 . 3.000 2.370 2.032 2.502 . 0 0 "[ . 1 ]" 1
45 1 34 LEU MD2 1 38 ASP QB 5.100 . 5.100 1.753 1.681 1.791 0.119 2 0 "[ . 1 ]" 1
46 1 38 ASP H 1 38 ASP QB 3.500 . 3.500 2.375 2.357 2.390 . 0 0 "[ . 1 ]" 1
47 1 31 GLU QB 1 39 PHE QE 5.100 . 5.100 3.128 2.989 3.308 . 0 0 "[ . 1 ]" 1
48 1 31 GLU QG 1 39 PHE QE 5.100 . 5.100 3.754 2.314 4.505 . 0 0 "[ . 1 ]" 1
49 1 34 LEU MD1 1 39 PHE QD 5.100 . 5.100 3.211 2.935 3.447 . 0 0 "[ . 1 ]" 1
50 1 34 LEU HB3 1 39 PHE QD 5.100 . 5.100 3.789 3.570 3.967 . 0 0 "[ . 1 ]" 1
51 1 34 LEU HB2 1 39 PHE QD 5.100 . 5.100 3.634 3.501 3.797 . 0 0 "[ . 1 ]" 1
52 1 34 LEU HG 1 39 PHE QD 5.100 . 5.100 5.025 4.922 5.112 0.012 7 0 "[ . 1 ]" 1
53 1 39 PHE QB 1 39 PHE QD 3.000 . 3.000 2.121 2.116 2.125 . 0 0 "[ . 1 ]" 1
54 1 39 PHE HA 1 39 PHE QD 3.500 . 3.500 3.083 2.979 3.152 . 0 0 "[ . 1 ]" 1
55 1 39 PHE H 1 39 PHE QB 3.000 . 3.000 2.286 2.272 2.305 . 0 0 "[ . 1 ]" 1
56 1 39 PHE H 1 39 PHE QD 5.100 . 5.100 4.186 4.176 4.199 . 0 0 "[ . 1 ]" 1
57 1 39 PHE QD 1 40 SER QB 5.100 . 5.100 3.794 3.295 4.194 . 0 0 "[ . 1 ]" 1
58 1 41 ARG H 1 41 ARG QB 3.000 . 3.000 2.256 2.180 2.365 . 0 0 "[ . 1 ]" 1
59 1 8 TYR QD 1 42 VAL MG1 5.100 . 5.100 4.082 3.811 4.270 . 0 0 "[ . 1 ]" 1
60 1 8 TYR QE 1 42 VAL MG1 5.100 . 5.100 3.309 2.991 3.564 . 0 0 "[ . 1 ]" 1
61 1 8 TYR QD 1 42 VAL MG2 5.100 . 5.100 3.231 2.918 3.399 . 0 0 "[ . 1 ]" 1
62 1 8 TYR QE 1 42 VAL MG2 5.100 . 5.100 3.254 2.940 3.530 . 0 0 "[ . 1 ]" 1
63 1 41 ARG QB 1 42 VAL MG2 5.100 . 5.100 3.456 3.386 3.567 . 0 0 "[ . 1 ]" 1
64 1 31 GLU QG 1 43 PHE QE 5.100 . 5.100 4.121 2.068 5.153 0.053 11 0 "[ . 1 ]" 1
65 1 31 GLU QB 1 43 PHE QE 5.100 . 5.100 3.374 2.850 3.996 . 0 0 "[ . 1 ]" 1
66 1 34 LEU MD1 1 43 PHE QD 5.100 . 5.100 3.283 3.137 3.370 . 0 0 "[ . 1 ]" 1
67 1 34 LEU MD1 1 43 PHE QE 5.100 . 5.100 1.927 1.730 2.199 0.070 11 0 "[ . 1 ]" 1
68 1 39 PHE HA 1 43 PHE QD 3.500 . 3.500 2.540 2.466 2.582 . 0 0 "[ . 1 ]" 1
69 1 39 PHE QD 1 43 PHE QD 5.100 . 5.100 2.742 2.662 2.855 . 0 0 "[ . 1 ]" 1
70 1 39 PHE QE 1 43 PHE QD 5.100 . 5.100 3.161 3.065 3.307 . 0 0 "[ . 1 ]" 1
71 1 39 PHE QD 1 43 PHE QE 5.100 . 5.100 2.472 2.339 2.626 . 0 0 "[ . 1 ]" 1
72 1 39 PHE QE 1 43 PHE QE 3.500 . 3.500 3.509 3.412 3.536 0.036 13 0 "[ . 1 ]" 1
73 1 42 VAL MG1 1 43 PHE QD 5.100 . 5.100 2.830 2.658 2.879 . 0 0 "[ . 1 ]" 1
74 1 42 VAL MG2 1 43 PHE QD 5.100 . 5.100 4.461 3.996 4.527 . 0 0 "[ . 1 ]" 1
75 1 42 VAL MG1 1 43 PHE QE 5.100 . 5.100 2.491 2.354 2.573 . 0 0 "[ . 1 ]" 1
76 1 43 PHE HA 1 43 PHE QD 3.000 . 3.000 2.730 2.649 2.883 . 0 0 "[ . 1 ]" 1
77 1 43 PHE QB 1 43 PHE QD 3.000 . 3.000 2.128 2.125 2.132 . 0 0 "[ . 1 ]" 1
78 1 39 PHE QE 1 45 MET ME 5.100 . 5.100 3.455 2.216 3.875 . 0 0 "[ . 1 ]" 1
79 1 39 PHE QE 1 45 MET QG 5.100 . 5.100 3.234 1.764 4.057 0.036 9 0 "[ . 1 ]" 1
80 1 43 PHE QB 1 45 MET H 5.100 . 5.100 3.161 3.029 3.290 . 0 0 "[ . 1 ]" 1
81 1 45 MET QG 1 46 SER H 5.100 . 5.100 3.033 1.869 3.308 . 0 0 "[ . 1 ]" 1
82 1 39 PHE QE 1 47 PRO HA 5.100 . 5.100 3.415 3.081 3.744 . 0 0 "[ . 1 ]" 1
83 1 48 GLU QG 1 49 GLU H 5.100 . 5.100 1.829 1.765 1.911 0.035 12 0 "[ . 1 ]" 1
84 1 39 PHE QE 1 50 PHE QB 5.100 . 5.100 2.598 2.262 2.726 . 0 0 "[ . 1 ]" 1
85 1 39 PHE HZ 1 50 PHE QB 5.100 . 5.100 2.156 1.891 2.403 . 0 0 "[ . 1 ]" 1
86 1 39 PHE QE 1 50 PHE QD 3.500 . 3.500 2.707 2.393 2.763 . 0 0 "[ . 1 ]" 1
87 1 39 PHE HZ 1 50 PHE QD 3.500 . 3.500 1.981 1.911 2.079 . 0 0 "[ . 1 ]" 1
88 1 39 PHE QE 1 50 PHE H 5.100 . 5.100 3.636 3.425 3.874 . 0 0 "[ . 1 ]" 1
89 1 43 PHE QD 1 50 PHE QD 5.100 . 5.100 4.806 4.526 4.863 . 0 0 "[ . 1 ]" 1
90 1 43 PHE QD 1 50 PHE QE 5.100 . 5.100 4.147 3.609 4.408 . 0 0 "[ . 1 ]" 1
91 1 43 PHE QE 1 50 PHE QE 5.100 . 5.100 4.359 4.137 4.504 . 0 0 "[ . 1 ]" 1
92 1 45 MET ME 1 50 PHE QD 5.100 . 5.100 3.173 1.903 3.941 . 0 0 "[ . 1 ]" 1
93 1 45 MET QG 1 50 PHE H 5.100 . 5.100 4.603 3.432 5.114 0.014 12 0 "[ . 1 ]" 1
94 1 47 PRO HA 1 50 PHE QB 3.500 . 3.500 3.282 3.209 3.313 . 0 0 "[ . 1 ]" 1
95 1 47 PRO HA 1 50 PHE QD 5.100 . 5.100 5.131 5.058 5.170 0.070 3 0 "[ . 1 ]" 1
96 1 50 PHE HA 1 50 PHE QD 3.000 . 3.000 2.213 2.091 2.420 . 0 0 "[ . 1 ]" 1
97 1 50 PHE QB 1 50 PHE QD 3.000 . 3.000 2.160 2.142 2.175 . 0 0 "[ . 1 ]" 1
98 1 50 PHE QD 1 51 GLY H 5.100 . 5.100 4.476 4.429 4.543 . 0 0 "[ . 1 ]" 1
99 1 52 LYS HA 1 52 LYS QG 3.500 . 3.500 2.401 2.019 3.124 . 0 0 "[ . 1 ]" 1
100 1 50 PHE QD 1 53 LEU MD1 5.100 . 5.100 1.833 1.611 1.916 0.189 1 0 "[ . 1 ]" 1
101 1 55 LEU H 1 55 LEU QB 3.000 . 3.000 2.163 2.109 2.208 . 0 0 "[ . 1 ]" 1
102 1 56 TRP QB 1 56 TRP HE3 3.000 . 3.000 2.454 2.440 2.478 . 0 0 "[ . 1 ]" 1
103 1 56 TRP H 1 56 TRP QB 3.500 . 3.500 2.703 2.666 2.720 . 0 0 "[ . 1 ]" 1
104 1 54 ALA MB 1 57 LYS QB 5.100 . 5.100 3.628 3.568 3.724 . 0 0 "[ . 1 ]" 1
105 1 56 TRP HE3 1 57 LYS QB 5.100 . 5.100 3.213 2.949 3.284 . 0 0 "[ . 1 ]" 1
106 1 57 LYS HA 1 57 LYS QD 5.100 . 5.100 4.266 3.955 4.563 . 0 0 "[ . 1 ]" 1
107 1 57 LYS H 1 57 LYS QB 3.500 . 3.500 2.710 2.592 2.803 . 0 0 "[ . 1 ]" 1
108 1 50 PHE QE 1 58 ARG HA 5.100 . 5.100 2.590 2.398 3.016 . 0 0 "[ . 1 ]" 1
109 1 50 PHE QE 1 58 ARG HB2 5.100 . 5.100 4.665 4.534 4.729 . 0 0 "[ . 1 ]" 1
110 1 50 PHE QE 1 58 ARG QG 5.100 . 5.100 2.838 2.715 3.172 . 0 0 "[ . 1 ]" 1
111 1 56 TRP HE3 1 60 GLU QB 5.100 . 5.100 4.273 3.635 4.606 . 0 0 "[ . 1 ]" 1
112 1 57 LYS HA 1 60 GLU QB 3.500 . 3.500 2.679 2.450 3.404 . 0 0 "[ . 1 ]" 1
113 1 60 GLU H 1 60 GLU QB 3.000 . 3.000 2.391 2.029 2.573 . 0 0 "[ . 1 ]" 1
114 1 43 PHE QD 1 61 LEU HB3 5.100 . 5.100 2.356 2.189 2.644 . 0 0 "[ . 1 ]" 1
115 1 43 PHE QE 1 61 LEU HB3 5.100 . 5.100 3.527 3.389 3.656 . 0 0 "[ . 1 ]" 1
116 1 43 PHE QD 1 61 LEU HB2 5.100 . 5.100 3.955 3.734 4.270 . 0 0 "[ . 1 ]" 1
117 1 43 PHE QD 1 61 LEU MD2 5.100 . 5.100 3.178 2.869 3.366 . 0 0 "[ . 1 ]" 1
118 1 50 PHE QD 1 61 LEU HB2 5.100 . 5.100 4.585 4.424 4.911 . 0 0 "[ . 1 ]" 1
119 1 50 PHE QE 1 61 LEU HB2 3.500 . 3.500 2.261 2.080 2.740 . 0 0 "[ . 1 ]" 1
120 1 50 PHE QD 1 61 LEU MD1 5.100 . 5.100 2.977 2.757 3.290 . 0 0 "[ . 1 ]" 1
121 1 50 PHE QE 1 61 LEU MD1 3.500 . 3.500 1.861 1.641 2.032 0.159 1 0 "[ . 1 ]" 1
122 1 43 PHE QE 1 62 LYS HA 3.000 . 3.000 1.820 1.779 1.877 0.021 1 0 "[ . 1 ]" 1
123 1 43 PHE QE 1 62 LYS H 5.100 . 5.100 3.659 3.468 3.746 . 0 0 "[ . 1 ]" 1
124 1 50 PHE HZ 1 62 LYS QD 5.100 . 5.100 4.463 4.101 5.117 0.017 5 0 "[ . 1 ]" 1
125 1 50 PHE QE 1 62 LYS H 5.100 . 5.100 3.802 3.689 3.929 . 0 0 "[ . 1 ]" 1
126 1 62 LYS H 1 62 LYS QG 5.100 . 5.100 3.082 2.830 3.264 . 0 0 "[ . 1 ]" 1
127 1 62 LYS H 1 63 LYS QE 5.100 . 5.100 5.136 5.100 5.193 0.093 11 0 "[ . 1 ]" 1
128 1 63 LYS H 1 63 LYS QB 3.500 . 3.500 2.185 2.070 2.658 . 0 0 "[ . 1 ]" 1
129 1 8 TYR QE 1 65 ALA MB 5.100 . 5.100 2.524 2.193 2.901 . 0 0 "[ . 1 ]" 1
130 1 43 PHE QE 1 65 ALA MB 5.100 . 5.100 2.161 2.099 2.286 . 0 0 "[ . 1 ]" 1
131 1 8 TYR QD 1 67 LEU MD1 3.500 . 3.500 3.070 2.768 3.274 . 0 0 "[ . 1 ]" 1
132 1 8 TYR QE 1 67 LEU MD1 3.500 . 3.500 2.925 2.728 3.216 . 0 0 "[ . 1 ]" 1
133 1 8 TYR QE 1 67 LEU MD2 3.500 . 3.500 1.818 1.652 1.890 0.148 1 0 "[ . 1 ]" 1
134 1 8 TYR QD 1 67 LEU HG 5.100 . 5.100 4.538 4.427 4.642 . 0 0 "[ . 1 ]" 1
135 1 8 TYR QE 1 67 LEU HG 3.000 . 3.000 2.934 2.839 3.006 0.006 13 0 "[ . 1 ]" 1
136 1 43 PHE QE 1 67 LEU HG 5.100 . 5.100 3.683 3.552 3.739 . 0 0 "[ . 1 ]" 1
137 1 59 ASN HB2 1 68 PHE QD 5.100 . 5.100 5.136 5.108 5.160 0.060 7 0 "[ . 1 ]" 1
138 1 62 LYS QE 1 68 PHE QD 5.100 . 5.100 3.775 3.344 4.600 . 0 0 "[ . 1 ]" 1
139 1 63 LYS HA 1 68 PHE QB 3.500 . 3.500 2.263 2.024 2.402 . 0 0 "[ . 1 ]" 1
140 1 63 LYS HA 1 68 PHE QD 5.100 . 5.100 3.484 3.386 3.564 . 0 0 "[ . 1 ]" 1
141 1 63 LYS H 1 68 PHE QD 5.100 . 5.100 3.075 2.894 3.228 . 0 0 "[ . 1 ]" 1
142 1 68 PHE H 1 68 PHE QB 3.500 . 3.500 2.199 2.149 2.270 . 0 0 "[ . 1 ]" 1
143 1 4 GLN HA 1 6 TYR QE 5.100 . 5.100 4.855 4.494 5.108 0.008 6 0 "[ . 1 ]" 1
144 1 5 ILE HA 1 6 TYR QD 5.100 . 5.100 4.293 4.068 4.384 . 0 0 "[ . 1 ]" 1
145 1 6 TYR HA 1 6 TYR QE 5.100 . 5.100 4.405 4.315 4.539 . 0 0 "[ . 1 ]" 1
146 1 6 TYR HA 1 7 PRO QD 3.500 . 3.500 2.044 1.840 2.206 . 0 0 "[ . 1 ]" 1
147 1 7 PRO HA 1 7 PRO QG 3.500 . 3.500 3.389 3.080 3.514 0.014 13 0 "[ . 1 ]" 1
148 1 8 TYR HA 1 8 TYR QE 5.100 . 5.100 4.507 4.416 4.573 . 0 0 "[ . 1 ]" 1
149 1 8 TYR QD 1 9 GLU HA 5.100 . 5.100 3.621 3.268 3.790 . 0 0 "[ . 1 ]" 1
150 1 8 TYR QE 1 9 GLU HA 5.100 . 5.100 4.713 4.458 4.849 . 0 0 "[ . 1 ]" 1
151 1 8 TYR QD 1 9 GLU QG 5.100 . 5.100 3.531 2.451 4.927 . 0 0 "[ . 1 ]" 1
152 1 10 MET HA 1 10 MET QG 3.000 . 3.000 2.237 2.001 2.613 . 0 0 "[ . 1 ]" 1
153 1 6 TYR QB 1 11 LEU MD1 3.500 . 3.500 1.936 1.730 2.408 0.070 5 0 "[ . 1 ]" 1
154 1 6 TYR QE 1 11 LEU MD1 5.100 . 5.100 4.253 3.523 4.498 . 0 0 "[ . 1 ]" 1
155 1 6 TYR QB 1 11 LEU MD2 5.100 . 5.100 3.398 3.103 3.807 . 0 0 "[ . 1 ]" 1
156 1 6 TYR QE 1 11 LEU MD2 5.100 . 5.100 2.717 2.195 3.177 . 0 0 "[ . 1 ]" 1
157 1 8 TYR QD 1 11 LEU MD1 5.100 . 5.100 3.738 3.433 4.127 . 0 0 "[ . 1 ]" 1
158 1 8 TYR QE 1 12 VAL HA 5.100 . 5.100 4.745 3.459 5.196 0.096 11 0 "[ . 1 ]" 1
159 1 8 TYR QE 1 12 VAL HB 5.100 . 5.100 4.448 3.859 4.856 . 0 0 "[ . 1 ]" 1
160 1 11 LEU MD2 1 22 PRO QD 5.100 . 5.100 2.340 1.774 2.872 0.026 1 0 "[ . 1 ]" 1
161 1 23 PRO HA 1 23 PRO QG 3.500 . 3.500 3.113 2.891 3.503 0.003 9 0 "[ . 1 ]" 1
162 1 6 TYR QE 1 25 VAL HA 5.100 . 5.100 4.100 3.633 4.418 . 0 0 "[ . 1 ]" 1
163 1 22 PRO QB 1 25 VAL MG1 5.100 . 5.100 4.223 4.068 4.427 . 0 0 "[ . 1 ]" 1
164 1 22 PRO QD 1 25 VAL MG1 5.100 . 5.100 2.802 2.340 2.977 . 0 0 "[ . 1 ]" 1
165 1 22 PRO QG 1 25 VAL MG2 5.100 . 5.100 2.538 2.421 2.760 . 0 0 "[ . 1 ]" 1
166 1 3 LEU MD2 1 26 ASP QB 5.100 . 5.100 2.113 1.895 2.511 . 0 0 "[ . 1 ]" 1
167 1 25 VAL HA 1 26 ASP QB 3.500 . 3.500 3.741 3.688 3.754 0.254 12 0 "[ . 1 ]" 1
168 1 28 MET HA 1 28 MET QG 3.000 . 3.000 2.346 2.065 2.603 . 0 0 "[ . 1 ]" 1
169 1 29 ARG HA 1 29 ARG QD 3.000 . 3.000 2.694 2.293 3.033 0.033 8 0 "[ . 1 ]" 1
170 1 29 ARG HA 1 29 ARG QG 3.000 . 3.000 2.252 2.097 2.597 . 0 0 "[ . 1 ]" 1
171 1 3 LEU MD1 1 32 ARG QD 5.100 . 5.100 2.870 2.514 3.265 . 0 0 "[ . 1 ]" 1
172 1 32 ARG HA 1 32 ARG QD 3.500 . 3.500 3.138 2.470 3.506 0.006 12 0 "[ . 1 ]" 1
173 1 32 ARG HA 1 32 ARG QG 3.000 . 3.000 2.405 2.082 3.038 0.038 11 0 "[ . 1 ]" 1
174 1 3 LEU QB 1 33 HIS HE1 5.100 . 5.100 2.156 1.994 2.406 . 0 0 "[ . 1 ]" 1
175 1 6 TYR QD 1 33 HIS HA 5.100 . 5.100 4.567 4.202 4.709 . 0 0 "[ . 1 ]" 1
176 1 6 TYR QE 1 33 HIS QB 5.100 . 5.100 3.989 3.676 4.210 . 0 0 "[ . 1 ]" 1
177 1 11 LEU MD1 1 33 HIS QB 3.500 . 3.500 1.708 1.561 1.769 0.239 1 0 "[ . 1 ]" 1
178 1 11 LEU MD2 1 33 HIS QB 5.100 . 5.100 2.508 2.010 3.176 . 0 0 "[ . 1 ]" 1
179 1 30 LEU HA 1 33 HIS QB 5.100 . 5.100 3.507 3.172 3.840 . 0 0 "[ . 1 ]" 1
180 1 33 HIS QB 1 33 HIS HD2 3.500 . 3.500 2.688 2.664 2.701 . 0 0 "[ . 1 ]" 1
181 1 8 TYR QB 1 34 LEU MD2 5.100 . 5.100 1.848 1.738 1.922 0.062 1 0 "[ . 1 ]" 1
182 1 37 GLU HA 1 37 GLU QG 3.500 . 3.500 2.463 2.221 2.871 . 0 0 "[ . 1 ]" 1
183 1 8 TYR QD 1 38 ASP QB 5.100 . 5.100 3.857 3.620 4.008 . 0 0 "[ . 1 ]" 1
184 1 34 LEU MD1 1 38 ASP QB 5.100 . 5.100 2.528 2.341 2.585 . 0 0 "[ . 1 ]" 1
185 1 31 GLU HA 1 39 PHE QE 5.100 . 5.100 5.105 4.951 5.168 0.068 2 0 "[ . 1 ]" 1
186 1 34 LEU MD1 1 39 PHE QB 5.100 . 5.100 2.791 2.735 2.945 . 0 0 "[ . 1 ]" 1
187 1 36 ALA HA 1 39 PHE QB 3.000 . 3.000 2.854 2.795 2.960 . 0 0 "[ . 1 ]" 1
188 1 39 PHE QE 1 40 SER HA 5.100 . 5.100 3.994 3.820 4.317 . 0 0 "[ . 1 ]" 1
189 1 38 ASP HA 1 41 ARG QB 3.000 . 3.000 2.585 2.380 2.778 . 0 0 "[ . 1 ]" 1
190 1 38 ASP HA 1 41 ARG QG 5.100 . 5.100 4.314 3.848 4.897 . 0 0 "[ . 1 ]" 1
191 1 41 ARG HA 1 41 ARG QG 3.000 . 3.000 2.215 2.088 2.307 . 0 0 "[ . 1 ]" 1
192 1 38 ASP QB 1 42 VAL MG1 5.100 . 5.100 4.396 4.312 4.483 . 0 0 "[ . 1 ]" 1
193 1 38 ASP QB 1 42 VAL MG2 5.100 . 5.100 2.255 2.108 2.331 . 0 0 "[ . 1 ]" 1
194 1 31 GLU HA 1 43 PHE QE 3.500 . 3.500 3.519 3.505 3.575 0.075 11 0 "[ . 1 ]" 1
195 1 39 PHE HZ 1 43 PHE QD 5.100 . 5.100 3.889 3.768 4.002 . 0 0 "[ . 1 ]" 1
196 1 39 PHE HA 1 43 PHE QE 5.100 . 5.100 3.119 2.885 3.351 . 0 0 "[ . 1 ]" 1
197 1 42 VAL HB 1 43 PHE QD 5.100 . 5.100 3.157 2.524 3.251 . 0 0 "[ . 1 ]" 1
198 1 42 VAL HB 1 43 PHE QE 5.100 . 5.100 3.616 3.002 3.768 . 0 0 "[ . 1 ]" 1
199 1 42 VAL MG2 1 43 PHE QE 5.100 . 5.100 4.206 3.607 4.351 . 0 0 "[ . 1 ]" 1
200 1 39 PHE QD 1 45 MET QB 5.100 . 5.100 4.145 3.689 5.132 0.032 9 0 "[ . 1 ]" 1
201 1 43 PHE QD 1 45 MET ME 5.100 . 5.100 3.573 3.357 3.748 . 0 0 "[ . 1 ]" 1
202 1 45 MET HA 1 45 MET QG 3.500 . 3.500 2.458 2.065 3.320 . 0 0 "[ . 1 ]" 1
203 1 39 PHE QD 1 46 SER HA 5.100 . 5.100 3.591 3.386 3.823 . 0 0 "[ . 1 ]" 1
204 1 39 PHE QE 1 46 SER HA 5.100 . 5.100 3.970 3.677 4.274 . 0 0 "[ . 1 ]" 1
205 1 39 PHE QD 1 47 PRO QG 5.100 . 5.100 3.936 3.355 4.344 . 0 0 "[ . 1 ]" 1
206 1 46 SER HA 1 47 PRO QD 3.000 . 3.000 1.857 1.768 1.922 0.032 1 0 "[ . 1 ]" 1
207 1 46 SER HA 1 47 PRO QG 3.500 . 3.500 3.720 3.635 3.785 0.285 6 0 "[ . 1 ]" 1
208 1 48 GLU HA 1 48 GLU QG 3.500 . 3.500 3.354 3.313 3.421 . 0 0 "[ . 1 ]" 1
209 1 48 GLU QG 1 49 GLU HA 3.500 . 3.500 3.581 3.542 3.631 0.131 12 0 "[ . 1 ]" 1
210 1 49 GLU HA 1 49 GLU QG 3.500 . 3.500 2.275 2.114 2.422 . 0 0 "[ . 1 ]" 1
211 1 39 PHE QE 1 50 PHE HA 5.100 . 5.100 4.343 4.283 4.454 . 0 0 "[ . 1 ]" 1
212 1 39 PHE QE 1 50 PHE QE 5.100 . 5.100 3.326 3.185 3.658 . 0 0 "[ . 1 ]" 1
213 1 39 PHE HZ 1 50 PHE QE 5.100 . 5.100 3.585 3.389 3.823 . 0 0 "[ . 1 ]" 1
214 1 43 PHE QE 1 50 PHE QD 5.100 . 5.100 5.102 4.935 5.156 0.056 7 0 "[ . 1 ]" 1
215 1 43 PHE QD 1 50 PHE HZ 5.100 . 5.100 4.604 3.905 4.904 . 0 0 "[ . 1 ]" 1
216 1 43 PHE QE 1 50 PHE HZ 5.100 . 5.100 4.190 3.698 4.509 . 0 0 "[ . 1 ]" 1
217 1 45 MET ME 1 50 PHE QE 5.100 . 5.100 3.161 2.076 3.843 . 0 0 "[ . 1 ]" 1
218 1 50 PHE HA 1 50 PHE QE 5.100 . 5.100 4.141 4.088 4.221 . 0 0 "[ . 1 ]" 1
219 1 49 GLU HA 1 52 LYS QB 3.500 . 3.500 3.078 2.867 3.419 . 0 0 "[ . 1 ]" 1
220 1 50 PHE QE 1 53 LEU MD1 5.100 . 5.100 2.703 2.366 2.828 . 0 0 "[ . 1 ]" 1
221 1 53 LEU HA 1 57 LYS QG 3.500 . 3.500 3.506 3.365 3.596 0.096 3 0 "[ . 1 ]" 1
222 1 54 ALA MB 1 57 LYS QG 3.000 . 3.000 1.927 1.798 1.991 0.002 2 0 "[ . 1 ]" 1
223 1 56 TRP HH2 1 57 LYS QB 5.100 . 5.100 3.454 3.297 3.542 . 0 0 "[ . 1 ]" 1
224 1 56 TRP HE3 1 57 LYS QD 5.100 . 5.100 4.470 4.048 5.135 0.035 2 0 "[ . 1 ]" 1
225 1 50 PHE QD 1 58 ARG HA 5.100 . 5.100 4.090 3.961 4.312 . 0 0 "[ . 1 ]" 1
226 1 50 PHE QD 1 58 ARG HB3 5.100 . 5.100 4.708 4.435 4.869 . 0 0 "[ . 1 ]" 1
227 1 50 PHE QE 1 58 ARG HB3 3.500 . 3.500 3.495 3.165 3.553 0.053 2 0 "[ . 1 ]" 1
228 1 50 PHE QD 1 58 ARG QD 5.100 . 5.100 2.618 2.289 2.860 . 0 0 "[ . 1 ]" 1
229 1 50 PHE QE 1 58 ARG QD 3.500 . 3.500 3.276 2.958 3.508 0.008 10 0 "[ . 1 ]" 1
230 1 50 PHE HZ 1 58 ARG QD 5.100 . 5.100 4.306 4.005 4.597 . 0 0 "[ . 1 ]" 1
231 1 50 PHE QD 1 58 ARG QG 5.100 . 5.100 3.059 2.949 3.284 . 0 0 "[ . 1 ]" 1
232 1 50 PHE HZ 1 58 ARG QG 5.100 . 5.100 3.136 2.988 3.560 . 0 0 "[ . 1 ]" 1
233 1 53 LEU HB2 1 58 ARG QG 3.500 . 3.500 2.238 2.028 2.419 . 0 0 "[ . 1 ]" 1
234 1 53 LEU MD1 1 58 ARG QG 5.100 . 5.100 2.446 2.168 2.659 . 0 0 "[ . 1 ]" 1
235 1 55 LEU HA 1 58 ARG QD 5.100 . 5.100 3.751 3.549 4.210 . 0 0 "[ . 1 ]" 1
236 1 57 LYS HA 1 60 GLU QG 5.100 . 5.100 2.844 1.959 3.899 . 0 0 "[ . 1 ]" 1
237 1 60 GLU HA 1 60 GLU QG 3.000 . 3.000 2.579 2.251 3.277 0.277 12 0 "[ . 1 ]" 1
238 1 43 PHE QD 1 61 LEU HA 5.100 . 5.100 3.604 3.289 3.906 . 0 0 "[ . 1 ]" 1
239 1 43 PHE QE 1 61 LEU MD2 5.100 . 5.100 4.668 4.517 4.765 . 0 0 "[ . 1 ]" 1
240 1 43 PHE QD 1 61 LEU HG 5.100 . 5.100 5.123 5.028 5.149 0.049 2 0 "[ . 1 ]" 1
241 1 50 PHE QE 1 61 LEU MD2 5.100 . 5.100 3.894 3.424 4.124 . 0 0 "[ . 1 ]" 1
242 1 50 PHE QE 1 61 LEU HG 5.100 . 5.100 3.770 3.132 4.112 . 0 0 "[ . 1 ]" 1
243 1 43 PHE QD 1 62 LYS HA 5.100 . 5.100 3.922 3.813 3.986 . 0 0 "[ . 1 ]" 1
244 1 63 LYS HA 1 63 LYS QG 3.500 . 3.500 2.563 2.206 3.319 . 0 0 "[ . 1 ]" 1
245 1 43 PHE QD 1 65 ALA MB 5.100 . 5.100 3.287 3.187 3.423 . 0 0 "[ . 1 ]" 1
246 1 8 TYR QE 1 67 LEU HA 5.100 . 5.100 4.852 4.608 4.972 . 0 0 "[ . 1 ]" 1
247 1 8 TYR QE 1 67 LEU HB3 5.100 . 5.100 5.116 4.958 5.165 0.065 13 0 "[ . 1 ]" 1
248 1 8 TYR QE 1 67 LEU HB2 5.100 . 5.100 5.127 5.016 5.162 0.062 10 0 "[ . 1 ]" 1
249 1 43 PHE QE 1 67 LEU HB2 5.100 . 5.100 4.016 3.751 4.197 . 0 0 "[ . 1 ]" 1
250 1 28 MET HA 1 68 PHE QE 5.100 . 5.100 4.965 4.779 5.108 0.008 7 0 "[ . 1 ]" 1
251 1 59 ASN HA 1 68 PHE QD 5.100 . 5.100 3.242 3.117 3.369 . 0 0 "[ . 1 ]" 1
252 1 62 LYS QE 1 68 PHE HA 5.100 . 5.100 2.342 1.863 3.938 . 0 0 "[ . 1 ]" 1
253 1 62 LYS HB2 1 68 PHE QB 5.100 . 5.100 4.373 4.133 4.599 . 0 0 "[ . 1 ]" 1
254 1 62 LYS HB3 1 68 PHE QD 5.100 . 5.100 4.517 4.122 4.654 . 0 0 "[ . 1 ]" 1
255 1 62 LYS QD 1 68 PHE QD 5.100 . 5.100 2.664 2.361 2.919 . 0 0 "[ . 1 ]" 1
256 1 63 LYS QG 1 68 PHE QB 5.100 . 5.100 2.815 1.951 3.814 . 0 0 "[ . 1 ]" 1
257 1 63 LYS QE 1 68 PHE QD 5.100 . 5.100 2.864 1.934 4.702 . 0 0 "[ . 1 ]" 1
258 1 63 LYS QG 1 68 PHE QD 5.100 . 5.100 2.785 1.977 4.056 . 0 0 "[ . 1 ]" 1
259 1 67 LEU HA 1 68 PHE QB 5.100 . 5.100 4.984 4.882 5.094 . 0 0 "[ . 1 ]" 1
260 1 2 GLY QA 1 3 LEU H 3.000 . 3.000 2.217 2.117 2.691 . 0 0 "[ . 1 ]" 1
261 1 3 LEU H 1 3 LEU QB 3.000 . 3.000 2.689 2.583 2.761 . 0 0 "[ . 1 ]" 1
262 1 3 LEU QB 1 4 GLN H 3.500 . 3.500 2.825 2.765 2.920 . 0 0 "[ . 1 ]" 1
263 1 4 GLN HA 1 4 GLN QE 5.100 . 5.100 2.806 1.952 3.694 . 0 0 "[ . 1 ]" 1
264 1 4 GLN H 1 4 GLN QB 3.000 . 3.000 2.034 2.015 2.041 . 0 0 "[ . 1 ]" 1
265 1 4 GLN H 1 4 GLN QG 3.500 . 3.500 3.549 3.480 3.604 0.104 11 0 "[ . 1 ]" 1
266 1 4 GLN QB 1 5 ILE H 5.100 . 5.100 3.398 3.293 3.510 . 0 0 "[ . 1 ]" 1
267 1 4 GLN QG 1 5 ILE H 5.100 . 5.100 3.270 2.926 3.775 . 0 0 "[ . 1 ]" 1
268 1 6 TYR H 1 6 TYR QD 3.500 . 3.500 3.491 3.187 3.553 0.053 6 0 "[ . 1 ]" 1
269 1 7 PRO QG 1 8 TYR H 5.100 . 5.100 4.455 4.286 4.783 . 0 0 "[ . 1 ]" 1
270 1 8 TYR H 1 8 TYR QB 3.000 . 3.000 2.881 2.810 2.921 . 0 0 "[ . 1 ]" 1
271 1 8 TYR H 1 8 TYR QD 5.100 . 5.100 4.229 4.120 4.302 . 0 0 "[ . 1 ]" 1
272 1 8 TYR QB 1 9 GLU H 3.500 . 3.500 1.918 1.799 2.034 0.001 1 0 "[ . 1 ]" 1
273 1 8 TYR QD 1 9 GLU H 3.000 . 3.000 3.003 2.820 3.075 0.075 4 0 "[ . 1 ]" 1
274 1 8 TYR QE 1 9 GLU H 5.100 . 5.100 5.059 4.873 5.191 0.091 2 0 "[ . 1 ]" 1
275 1 9 GLU H 1 9 GLU QG 3.500 . 3.500 2.358 1.833 3.361 . 0 0 "[ . 1 ]" 1
276 1 10 MET H 1 10 MET QB 3.500 . 3.500 2.075 2.048 2.136 . 0 0 "[ . 1 ]" 1
277 1 10 MET H 1 10 MET QG 3.500 . 3.500 3.215 2.967 3.398 . 0 0 "[ . 1 ]" 1
278 1 10 MET QB 1 11 LEU H 3.500 . 3.500 2.983 2.856 3.104 . 0 0 "[ . 1 ]" 1
279 1 15 ASN QB 1 15 ASN QD 3.000 . 3.000 2.328 2.064 2.606 . 0 0 "[ . 1 ]" 1
280 1 15 ASN H 1 15 ASN QB 3.500 . 3.500 2.816 2.071 3.279 . 0 0 "[ . 1 ]" 1
281 1 16 LYS H 1 16 LYS QB 3.500 . 3.500 2.807 2.142 3.456 . 0 0 "[ . 1 ]" 1
282 1 16 LYS H 1 16 LYS QD 3.000 . 3.000 2.707 2.339 3.006 0.006 12 0 "[ . 1 ]" 1
283 1 16 LYS H 1 16 LYS QG 3.500 . 3.500 2.784 1.963 3.510 0.010 1 0 "[ . 1 ]" 1
284 1 16 LYS QB 1 17 GLY H 5.100 . 5.100 2.889 1.792 3.904 0.008 1 0 "[ . 1 ]" 1
285 1 17 GLY QA 1 18 ARG H 3.000 . 3.000 2.405 2.113 2.931 . 0 0 "[ . 1 ]" 1
286 1 18 ARG H 1 18 ARG QB 3.000 . 3.000 2.720 2.334 3.167 0.167 6 0 "[ . 1 ]" 1
287 1 18 ARG H 1 18 ARG QD 3.000 . 3.000 2.371 1.795 3.023 0.023 4 0 "[ . 1 ]" 1
288 1 18 ARG H 1 18 ARG QG 3.000 . 3.000 2.686 1.896 3.020 0.020 11 0 "[ . 1 ]" 1
289 1 18 ARG QB 1 19 THR H 5.100 . 5.100 3.635 1.778 4.042 0.022 6 0 "[ . 1 ]" 1
290 1 18 ARG QG 1 19 THR H 5.100 . 5.100 4.489 3.725 4.883 . 0 0 "[ . 1 ]" 1
291 1 20 LYS H 1 20 LYS QB 3.000 . 3.000 2.527 2.225 3.004 0.004 12 0 "[ . 1 ]" 1
292 1 20 LYS H 1 20 LYS QG 3.000 . 3.000 2.638 2.022 3.004 0.004 7 0 "[ . 1 ]" 1
293 1 20 LYS QB 1 21 LEU H 5.100 . 5.100 2.939 2.647 3.422 . 0 0 "[ . 1 ]" 1
294 1 20 LYS QG 1 21 LEU H 5.100 . 5.100 4.025 3.700 4.388 . 0 0 "[ . 1 ]" 1
295 1 21 LEU H 1 22 PRO QD 5.100 . 5.100 4.393 4.377 4.399 . 0 0 "[ . 1 ]" 1
296 1 23 PRO QB 1 24 GLY H 5.100 . 5.100 3.755 3.490 3.917 . 0 0 "[ . 1 ]" 1
297 1 24 GLY QA 1 25 VAL H 3.000 . 3.000 2.454 2.377 2.507 . 0 0 "[ . 1 ]" 1
298 1 26 ASP H 1 26 ASP QB 3.500 . 3.500 2.284 2.259 2.376 . 0 0 "[ . 1 ]" 1
299 1 26 ASP QB 1 27 ARG H 5.100 . 5.100 3.892 3.859 3.902 . 0 0 "[ . 1 ]" 1
300 1 27 ARG H 1 27 ARG QB 3.000 . 3.000 2.209 2.044 2.591 . 0 0 "[ . 1 ]" 1
301 1 26 ASP QB 1 28 MET H 5.100 . 5.100 3.902 3.608 4.668 . 0 0 "[ . 1 ]" 1
302 1 27 ARG QB 1 28 MET H 5.100 . 5.100 2.790 2.057 3.526 . 0 0 "[ . 1 ]" 1
303 1 28 MET QB 1 29 ARG H 3.500 . 3.500 3.453 3.079 3.553 0.053 7 0 "[ . 1 ]" 1
304 1 29 ARG QD 1 30 LEU H 5.100 . 5.100 4.894 4.637 5.106 0.006 11 0 "[ . 1 ]" 1
305 1 26 ASP QB 1 31 GLU H 5.100 . 5.100 5.173 5.127 5.195 0.095 11 0 "[ . 1 ]" 1
306 1 31 GLU H 1 31 GLU QB 3.000 . 3.000 2.482 2.119 2.930 . 0 0 "[ . 1 ]" 1
307 1 31 GLU H 1 31 GLU QG 3.500 . 3.500 2.655 1.795 3.526 0.026 9 0 "[ . 1 ]" 1
308 1 31 GLU QG 1 32 ARG H 5.100 . 5.100 3.317 2.208 4.671 . 0 0 "[ . 1 ]" 1
309 1 32 ARG H 1 32 ARG QB 3.500 . 3.500 2.293 2.064 2.544 . 0 0 "[ . 1 ]" 1
310 1 32 ARG H 1 32 ARG QD 5.100 . 5.100 4.110 2.649 4.591 . 0 0 "[ . 1 ]" 1
311 1 32 ARG H 1 32 ARG QG 3.500 . 3.500 2.822 2.236 3.769 0.269 11 0 "[ . 1 ]" 1
312 1 6 TYR H 1 33 HIS QB 5.100 . 5.100 2.945 2.442 3.278 . 0 0 "[ . 1 ]" 1
313 1 32 ARG H 1 33 HIS QB 5.100 . 5.100 4.493 4.365 4.655 . 0 0 "[ . 1 ]" 1
314 1 32 ARG QB 1 33 HIS H 5.100 . 5.100 3.285 3.194 3.335 . 0 0 "[ . 1 ]" 1
315 1 33 HIS H 1 33 HIS QB 3.500 . 3.500 2.352 2.268 2.442 . 0 0 "[ . 1 ]" 1
316 1 33 HIS QB 1 34 LEU H 5.100 . 5.100 2.795 2.682 2.958 . 0 0 "[ . 1 ]" 1
317 1 37 GLU H 1 37 GLU QG 3.500 . 3.500 2.619 2.058 3.592 0.092 2 0 "[ . 1 ]" 1
318 1 8 TYR H 1 38 ASP QB 5.100 . 5.100 4.154 4.030 4.300 . 0 0 "[ . 1 ]" 1
319 1 35 SER H 1 38 ASP QB 5.100 . 5.100 2.198 2.098 2.293 . 0 0 "[ . 1 ]" 1
320 1 37 GLU QB 1 38 ASP H 3.000 . 3.000 3.018 3.005 3.068 0.068 2 0 "[ . 1 ]" 1
321 1 37 GLU QG 1 38 ASP H 5.100 . 5.100 4.195 3.173 4.654 . 0 0 "[ . 1 ]" 1
322 1 38 ASP H 1 39 PHE QB 5.100 . 5.100 4.184 4.138 4.253 . 0 0 "[ . 1 ]" 1
323 1 38 ASP QB 1 39 PHE H 3.500 . 3.500 2.581 2.417 2.689 . 0 0 "[ . 1 ]" 1
324 1 39 PHE H 1 40 SER QB 5.100 . 5.100 4.548 4.348 4.870 . 0 0 "[ . 1 ]" 1
325 1 39 PHE QB 1 40 SER H 3.000 . 3.000 2.258 2.146 2.444 . 0 0 "[ . 1 ]" 1
326 1 39 PHE QD 1 40 SER H 3.500 . 3.500 2.859 2.658 3.214 . 0 0 "[ . 1 ]" 1
327 1 40 SER H 1 40 SER QB 3.000 . 3.000 2.312 2.186 2.481 . 0 0 "[ . 1 ]" 1
328 1 39 PHE QB 1 41 ARG H 5.100 . 5.100 4.473 4.371 4.652 . 0 0 "[ . 1 ]" 1
329 1 41 ARG H 1 41 ARG QD 5.100 . 5.100 4.218 3.497 4.707 . 0 0 "[ . 1 ]" 1
330 1 41 ARG H 1 41 ARG QG 3.500 . 3.500 3.101 2.767 3.528 0.028 9 0 "[ . 1 ]" 1
331 1 41 ARG QB 1 42 VAL H 3.000 . 3.000 3.032 3.013 3.049 0.049 9 0 "[ . 1 ]" 1
332 1 41 ARG QG 1 42 VAL H 5.100 . 5.100 4.426 4.274 4.561 . 0 0 "[ . 1 ]" 1
333 1 39 PHE H 1 43 PHE QD 5.100 . 5.100 5.146 5.113 5.169 0.069 3 0 "[ . 1 ]" 1
334 1 41 ARG QB 1 43 PHE H 5.100 . 5.100 5.096 5.068 5.125 0.025 3 0 "[ . 1 ]" 1
335 1 42 VAL H 1 43 PHE QD 5.100 . 5.100 4.316 4.162 4.406 . 0 0 "[ . 1 ]" 1
336 1 43 PHE H 1 43 PHE QB 3.500 . 3.500 2.568 2.495 2.645 . 0 0 "[ . 1 ]" 1
337 1 43 PHE H 1 43 PHE QD 3.500 . 3.500 2.776 2.613 2.834 . 0 0 "[ . 1 ]" 1
338 1 43 PHE QB 1 44 ALA H 5.100 . 5.100 3.487 3.417 3.587 . 0 0 "[ . 1 ]" 1
339 1 43 PHE QD 1 44 ALA H 5.100 . 5.100 4.591 4.510 4.670 . 0 0 "[ . 1 ]" 1
340 1 39 PHE QD 1 45 MET H 3.500 . 3.500 3.564 3.520 3.607 0.107 13 0 "[ . 1 ]" 1
341 1 39 PHE QE 1 45 MET H 5.100 . 5.100 3.410 3.304 3.669 . 0 0 "[ . 1 ]" 1
342 1 43 PHE QD 1 45 MET H 5.100 . 5.100 4.670 4.544 4.812 . 0 0 "[ . 1 ]" 1
343 1 45 MET H 1 45 MET QG 5.100 . 5.100 3.686 2.770 4.036 . 0 0 "[ . 1 ]" 1
344 1 45 MET QB 1 46 SER H 3.000 . 3.000 2.551 1.964 3.106 0.106 7 0 "[ . 1 ]" 1
345 1 46 SER H 1 47 PRO QD 5.100 . 5.100 4.335 4.269 4.378 . 0 0 "[ . 1 ]" 1
346 1 47 PRO QB 1 48 GLU H 3.000 . 3.000 2.723 2.533 2.831 . 0 0 "[ . 1 ]" 1
347 1 47 PRO QD 1 48 GLU H 3.500 . 3.500 2.938 2.305 3.341 . 0 0 "[ . 1 ]" 1
348 1 48 GLU H 1 48 GLU QG 3.500 . 3.500 1.926 1.789 2.192 0.011 1 0 "[ . 1 ]" 1
349 1 47 PRO QD 1 49 GLU H 5.100 . 5.100 4.339 3.925 4.643 . 0 0 "[ . 1 ]" 1
350 1 49 GLU H 1 49 GLU QG 3.500 . 3.500 2.908 2.824 2.959 . 0 0 "[ . 1 ]" 1
351 1 47 PRO QB 1 50 PHE H 5.100 . 5.100 5.052 4.935 5.123 0.023 12 0 "[ . 1 ]" 1
352 1 49 GLU H 1 50 PHE QB 5.100 . 5.100 4.413 4.394 4.441 . 0 0 "[ . 1 ]" 1
353 1 50 PHE H 1 50 PHE QB 3.000 . 3.000 2.098 2.088 2.122 . 0 0 "[ . 1 ]" 1
354 1 50 PHE H 1 50 PHE QD 3.500 . 3.500 3.592 3.535 3.628 0.128 3 0 "[ . 1 ]" 1
355 1 50 PHE QB 1 51 GLY H 3.500 . 3.500 2.552 2.485 2.616 . 0 0 "[ . 1 ]" 1
356 1 52 LYS H 1 52 LYS QB 3.000 . 3.000 2.323 2.189 2.655 . 0 0 "[ . 1 ]" 1
357 1 52 LYS H 1 52 LYS QE 3.500 . 3.500 3.249 2.938 3.537 0.037 7 0 "[ . 1 ]" 1
358 1 52 LYS H 1 52 LYS QG 5.100 . 5.100 3.578 2.364 4.093 . 0 0 "[ . 1 ]" 1
359 1 52 LYS QB 1 53 LEU H 5.100 . 5.100 2.964 2.859 3.135 . 0 0 "[ . 1 ]" 1
360 1 52 LYS QG 1 53 LEU H 5.100 . 5.100 4.372 3.923 4.679 . 0 0 "[ . 1 ]" 1
361 1 55 LEU H 1 56 TRP QB 5.100 . 5.100 4.475 4.451 4.595 . 0 0 "[ . 1 ]" 1
362 1 55 LEU QB 1 56 TRP H 3.000 . 3.000 2.963 2.918 2.996 . 0 0 "[ . 1 ]" 1
363 1 54 ALA H 1 57 LYS QB 3.500 . 3.500 3.710 3.594 3.735 0.235 10 0 "[ . 1 ]" 1
364 1 54 ALA H 1 57 LYS QG 3.500 . 3.500 1.797 1.731 1.827 0.069 2 0 "[ . 1 ]" 1
365 1 56 TRP HE1 1 57 LYS QB 5.100 . 5.100 5.151 5.122 5.186 0.086 3 0 "[ . 1 ]" 1
366 1 57 LYS H 1 57 LYS QG 5.100 . 5.100 1.805 1.758 1.878 0.042 2 0 "[ . 1 ]" 1
367 1 53 LEU H 1 58 ARG QD 5.100 . 5.100 4.566 4.303 4.870 . 0 0 "[ . 1 ]" 1
368 1 53 LEU H 1 58 ARG QG 5.100 . 5.100 4.186 4.078 4.286 . 0 0 "[ . 1 ]" 1
369 1 54 ALA H 1 58 ARG QG 5.100 . 5.100 3.503 3.299 3.707 . 0 0 "[ . 1 ]" 1
370 1 57 LYS H 1 58 ARG QG 5.100 . 5.100 5.100 4.990 5.148 0.048 13 0 "[ . 1 ]" 1
371 1 57 LYS QB 1 58 ARG H 3.500 . 3.500 3.346 3.284 3.397 . 0 0 "[ . 1 ]" 1
372 1 57 LYS QG 1 58 ARG H 5.100 . 5.100 2.253 2.154 2.395 . 0 0 "[ . 1 ]" 1
373 1 58 ARG HE 1 58 ARG QG 3.500 . 3.500 2.681 2.627 2.824 . 0 0 "[ . 1 ]" 1
374 1 58 ARG H 1 58 ARG QD 5.100 . 5.100 4.502 4.403 4.711 . 0 0 "[ . 1 ]" 1
375 1 58 ARG H 1 58 ARG QG 3.000 . 3.000 2.981 2.856 3.028 0.028 3 0 "[ . 1 ]" 1
376 1 55 LEU MD1 1 59 ASN QD 5.100 . 5.100 2.598 2.183 2.795 . 0 0 "[ . 1 ]" 1
377 1 59 ASN H 1 59 ASN QD 5.100 . 5.100 3.674 3.487 3.801 . 0 0 "[ . 1 ]" 1
378 1 59 ASN H 1 60 GLU QB 5.100 . 5.100 4.648 4.323 4.824 . 0 0 "[ . 1 ]" 1
379 1 60 GLU H 1 60 GLU QG 3.500 . 3.500 2.456 1.996 3.501 0.001 2 0 "[ . 1 ]" 1
380 1 50 PHE QE 1 61 LEU H 5.100 . 5.100 4.400 4.230 4.800 . 0 0 "[ . 1 ]" 1
381 1 60 GLU QG 1 61 LEU H 5.100 . 5.100 3.964 2.615 4.567 . 0 0 "[ . 1 ]" 1
382 1 31 GLU H 1 62 LYS QE 5.100 . 5.100 3.889 3.357 4.630 . 0 0 "[ . 1 ]" 1
383 1 62 LYS H 1 62 LYS QE 5.100 . 5.100 4.582 3.468 5.042 . 0 0 "[ . 1 ]" 1
384 1 63 LYS H 1 63 LYS QD 5.100 . 5.100 4.450 3.766 4.668 . 0 0 "[ . 1 ]" 1
385 1 63 LYS H 1 63 LYS QE 5.100 . 5.100 3.367 3.268 3.521 . 0 0 "[ . 1 ]" 1
386 1 63 LYS H 1 63 LYS QG 5.100 . 5.100 3.350 1.960 3.997 . 0 0 "[ . 1 ]" 1
387 1 64 LYS H 1 64 LYS QB 3.000 . 3.000 2.225 2.064 2.556 . 0 0 "[ . 1 ]" 1
388 1 64 LYS H 1 64 LYS QD 3.500 . 3.500 3.405 2.465 3.546 0.046 11 0 "[ . 1 ]" 1
389 1 64 LYS H 1 64 LYS QE 3.500 . 3.500 3.464 2.953 3.577 0.077 8 0 "[ . 1 ]" 1
390 1 64 LYS H 1 64 LYS QG 3.500 . 3.500 3.054 1.979 3.550 0.050 13 0 "[ . 1 ]" 1
391 1 43 PHE QE 1 65 ALA H 5.100 . 5.100 2.607 2.468 3.268 . 0 0 "[ . 1 ]" 1
392 1 64 LYS QB 1 65 ALA H 3.000 . 3.000 2.813 2.660 3.001 0.001 1 0 "[ . 1 ]" 1
393 1 59 ASN QD 1 68 PHE HZ 5.100 . 5.100 3.170 2.904 3.493 . 0 0 "[ . 1 ]" 1
394 1 63 LYS H 1 68 PHE QB 3.500 . 3.500 3.469 3.156 3.541 0.041 4 0 "[ . 1 ]" 1
395 1 63 LYS QG 1 68 PHE H 5.100 . 5.100 4.514 3.938 5.221 0.121 13 0 "[ . 1 ]" 1
396 1 68 PHE H 1 68 PHE QD 5.100 . 5.100 4.128 4.024 4.193 . 0 0 "[ . 1 ]" 1
397 1 26 ASP QB 1 29 ARG H 5.100 . 5.100 2.412 2.126 2.585 . 0 0 "[ . 1 ]" 1
398 1 47 PRO QG 1 48 GLU H 5.100 . 5.100 3.097 2.523 3.767 . 0 0 "[ . 1 ]" 1
399 1 46 SER H 1 49 GLU QG 5.100 . 5.100 2.178 1.956 2.506 . 0 0 "[ . 1 ]" 1
400 1 56 TRP QB 1 57 LYS H 5.100 . 5.100 3.086 2.896 3.127 . 0 0 "[ . 1 ]" 1
401 1 55 LEU QB 1 59 ASN QD 3.500 . 3.500 3.508 3.495 3.512 0.012 7 0 "[ . 1 ]" 1
402 1 56 TRP HA 1 59 ASN QD 3.500 . 3.500 2.728 2.603 2.846 . 0 0 "[ . 1 ]" 1
403 1 56 TRP QB 1 56 TRP HD1 3.500 . 3.500 2.679 2.657 2.689 . 0 0 "[ . 1 ]" 1
404 1 54 ALA MB 1 56 TRP HD1 3.000 . 3.000 2.352 2.331 2.377 . 0 0 "[ . 1 ]" 1
405 1 56 TRP HA 1 56 TRP HD1 5.100 . 5.100 4.223 4.171 4.267 . 0 0 "[ . 1 ]" 1
406 1 56 TRP H 1 56 TRP HD1 3.000 . 3.000 2.170 2.148 2.211 . 0 0 "[ . 1 ]" 1
407 1 56 TRP HD1 1 57 LYS H 5.100 . 5.100 3.619 3.598 3.627 . 0 0 "[ . 1 ]" 1
408 1 55 LEU HA 1 56 TRP HD1 5.100 . 5.100 5.145 5.110 5.209 0.109 2 0 "[ . 1 ]" 1
409 1 54 ALA HA 1 56 TRP HD1 5.100 . 5.100 4.615 4.568 4.680 . 0 0 "[ . 1 ]" 1
410 1 56 TRP HD1 1 57 LYS HB3 5.100 . 5.100 4.229 4.158 4.251 . 0 0 "[ . 1 ]" 1
411 1 56 TRP HZ3 1 60 GLU QG 5.100 . 5.100 4.679 4.336 5.117 0.017 2 0 "[ . 1 ]" 1
412 1 56 TRP HZ3 1 57 LYS QB 5.100 . 5.100 2.877 2.587 3.005 . 0 0 "[ . 1 ]" 1
413 1 3 LEU HA 1 3 LEU MD2 4.800 . 4.800 3.341 3.093 3.484 . 0 0 "[ . 1 ]" 1
414 1 3 LEU H 1 3 LEU MD2 4.800 . 4.800 3.711 3.617 3.863 . 0 0 "[ . 1 ]" 1
415 1 3 LEU HA 1 4 GLN H 2.700 . 2.700 2.255 2.211 2.289 . 0 0 "[ . 1 ]" 1
416 1 3 LEU MD2 1 4 GLN H 4.800 . 4.800 4.381 4.254 4.489 . 0 0 "[ . 1 ]" 1
417 1 4 GLN HA 1 5 ILE H 2.700 . 2.700 2.201 2.125 2.253 . 0 0 "[ . 1 ]" 1
418 1 5 ILE H 1 5 ILE MG 4.800 . 4.800 3.744 3.735 3.755 . 0 0 "[ . 1 ]" 1
419 1 5 ILE MG 1 8 TYR H 4.800 . 4.800 4.492 4.373 4.538 . 0 0 "[ . 1 ]" 1
420 1 7 PRO HA 1 9 GLU H 4.800 . 4.800 4.540 4.436 4.604 . 0 0 "[ . 1 ]" 1
421 1 8 TYR H 1 9 GLU H 4.800 . 4.800 3.838 3.731 3.878 . 0 0 "[ . 1 ]" 1
422 1 9 GLU H 1 9 GLU HA 2.700 . 2.700 2.716 2.688 2.729 0.029 6 0 "[ . 1 ]" 1
423 1 6 TYR H 1 11 LEU MD1 4.800 . 4.800 3.624 3.303 4.023 . 0 0 "[ . 1 ]" 1
424 1 10 MET HA 1 11 LEU H 4.800 . 4.800 3.423 3.381 3.461 . 0 0 "[ . 1 ]" 1
425 1 11 LEU HB2 1 11 LEU MD1 3.200 . 3.200 1.978 1.899 2.181 . 0 0 "[ . 1 ]" 1
426 1 11 LEU HA 1 11 LEU MD2 3.200 . 3.200 2.825 2.623 3.050 . 0 0 "[ . 1 ]" 1
427 1 11 LEU H 1 11 LEU MD1 4.800 . 4.800 3.086 2.500 3.441 . 0 0 "[ . 1 ]" 1
428 1 8 TYR HH 1 12 VAL MG1 4.800 . 4.800 3.341 2.560 4.553 . 0 0 "[ . 1 ]" 1
429 1 8 TYR HH 1 12 VAL MG2 4.800 . 4.800 2.977 2.356 3.684 . 0 0 "[ . 1 ]" 1
430 1 8 TYR HH 1 42 VAL MG1 4.800 . 4.800 4.470 3.992 4.568 . 0 0 "[ . 1 ]" 1
431 1 9 GLU HA 1 12 VAL MG1 4.800 . 4.800 3.498 3.333 3.636 . 0 0 "[ . 1 ]" 1
432 1 9 GLU HA 1 12 VAL MG2 4.800 . 4.800 2.232 1.771 2.888 0.029 2 0 "[ . 1 ]" 1
433 1 11 LEU H 1 12 VAL H 3.200 . 3.200 1.977 1.801 2.122 . 0 0 "[ . 1 ]" 1
434 1 12 VAL HA 1 12 VAL MG1 3.200 . 3.200 2.309 2.131 2.715 . 0 0 "[ . 1 ]" 1
435 1 12 VAL HA 1 12 VAL MG2 3.200 . 3.200 2.409 2.188 2.535 . 0 0 "[ . 1 ]" 1
436 1 12 VAL H 1 12 VAL MG1 4.800 . 4.800 3.743 3.702 3.768 . 0 0 "[ . 1 ]" 1
437 1 12 VAL HA 1 13 VAL H 2.700 . 2.700 2.296 2.124 2.609 . 0 0 "[ . 1 ]" 1
438 1 12 VAL HB 1 13 VAL H 4.800 . 4.800 4.326 4.083 4.502 . 0 0 "[ . 1 ]" 1
439 1 13 VAL H 1 13 VAL HB 3.200 . 3.200 2.602 2.557 2.635 . 0 0 "[ . 1 ]" 1
440 1 12 VAL MG1 1 14 THR H 4.800 . 4.800 4.202 3.549 4.537 . 0 0 "[ . 1 ]" 1
441 1 13 VAL MG2 1 14 THR H 4.800 . 4.800 4.177 4.118 4.246 . 0 0 "[ . 1 ]" 1
442 1 14 THR HA 1 14 THR HG1 3.200 . 3.200 3.108 2.786 3.272 0.072 13 0 "[ . 1 ]" 1
443 1 14 THR HB 1 15 ASN H 4.800 . 4.800 3.350 1.908 4.292 . 0 0 "[ . 1 ]" 1
444 1 14 THR HG1 1 15 ASN H 4.800 . 4.800 4.645 4.196 4.840 0.040 10 0 "[ . 1 ]" 1
445 1 14 THR H 1 15 ASN H 4.800 . 4.800 3.801 2.345 4.609 . 0 0 "[ . 1 ]" 1
446 1 16 LYS HA 1 17 GLY H 3.200 . 3.200 2.481 2.152 3.235 0.035 13 0 "[ . 1 ]" 1
447 1 18 ARG HA 1 19 THR H 3.200 . 3.200 2.757 2.248 3.299 0.099 6 0 "[ . 1 ]" 1
448 1 19 THR HA 1 19 THR HB 2.700 . 2.700 2.261 2.228 2.275 . 0 0 "[ . 1 ]" 1
449 1 19 THR HA 1 19 THR HG1 2.700 . 2.700 2.769 2.758 2.791 0.091 1 0 "[ . 1 ]" 1
450 1 19 THR H 1 19 THR HB 3.200 . 3.200 3.030 2.973 3.135 . 0 0 "[ . 1 ]" 1
451 1 19 THR HA 1 20 LYS H 2.700 . 2.700 2.343 2.336 2.349 . 0 0 "[ . 1 ]" 1
452 1 19 THR HG1 1 20 LYS H 3.200 . 3.200 1.881 1.789 1.918 0.011 1 0 "[ . 1 ]" 1
453 1 20 LYS HA 1 21 LEU H 2.700 . 2.700 2.223 2.146 2.303 . 0 0 "[ . 1 ]" 1
454 1 20 LYS H 1 21 LEU H 4.800 . 4.800 4.510 4.337 4.618 . 0 0 "[ . 1 ]" 1
455 1 21 LEU H 1 21 LEU HG 3.200 . 3.200 2.751 1.939 3.160 . 0 0 "[ . 1 ]" 1
456 1 11 LEU MD2 1 25 VAL MG1 4.800 . 4.800 2.128 1.899 2.295 . 0 0 "[ . 1 ]" 1
457 1 21 LEU MD1 1 25 VAL MG1 4.800 . 4.800 1.824 1.651 1.953 0.149 1 0 "[ . 1 ]" 1
458 1 21 LEU MD1 1 25 VAL MG2 4.800 . 4.800 3.295 3.184 3.600 . 0 0 "[ . 1 ]" 1
459 1 25 VAL HA 1 25 VAL HB 2.700 . 2.700 2.968 2.956 2.975 0.275 7 0 "[ . 1 ]" 1
460 1 25 VAL HA 1 25 VAL MG1 3.200 . 3.200 2.435 2.361 2.473 . 0 0 "[ . 1 ]" 1
461 1 25 VAL H 1 25 VAL HB 2.700 . 2.700 2.573 2.506 2.664 . 0 0 "[ . 1 ]" 1
462 1 25 VAL MG2 1 26 ASP H 4.800 . 4.800 3.638 3.579 3.703 . 0 0 "[ . 1 ]" 1
463 1 26 ASP HA 1 27 ARG H 2.700 . 2.700 2.211 2.190 2.223 . 0 0 "[ . 1 ]" 1
464 1 26 ASP H 1 27 ARG H 4.800 . 4.800 4.057 3.967 4.109 . 0 0 "[ . 1 ]" 1
465 1 25 VAL MG1 1 30 LEU MD2 4.800 . 4.800 2.370 2.230 2.575 . 0 0 "[ . 1 ]" 1
466 1 27 ARG HA 1 30 LEU MD2 4.800 . 4.800 1.900 1.664 2.021 0.136 1 0 "[ . 1 ]" 1
467 1 30 LEU HA 1 30 LEU MD1 2.700 . 2.700 1.662 1.624 1.672 0.176 1 0 "[ . 1 ]" 1
468 1 30 LEU HA 1 30 LEU MD2 3.200 . 3.200 2.854 2.780 2.969 . 0 0 "[ . 1 ]" 1
469 1 30 LEU HB3 1 31 GLU H 3.200 . 3.200 3.248 3.226 3.267 0.067 4 0 "[ . 1 ]" 1
470 1 3 LEU MD1 1 33 HIS HE1 4.800 . 4.800 4.051 3.824 4.326 . 0 0 "[ . 1 ]" 1
471 1 3 LEU MD2 1 33 HIS HE1 4.800 . 4.800 2.340 2.102 2.789 . 0 0 "[ . 1 ]" 1
472 1 4 GLN H 1 33 HIS HE1 4.800 . 4.800 4.060 3.679 4.298 . 0 0 "[ . 1 ]" 1
473 1 25 VAL HA 1 33 HIS HD2 4.800 . 4.800 3.979 3.894 4.094 . 0 0 "[ . 1 ]" 1
474 1 25 VAL MG1 1 33 HIS HD2 4.800 . 4.800 2.695 2.535 2.849 . 0 0 "[ . 1 ]" 1
475 1 25 VAL MG2 1 33 HIS HD2 4.800 . 4.800 4.086 3.899 4.185 . 0 0 "[ . 1 ]" 1
476 1 25 VAL HA 1 33 HIS HE1 2.700 . 2.700 2.533 2.394 2.634 . 0 0 "[ . 1 ]" 1
477 1 25 VAL MG1 1 33 HIS HE1 4.800 . 4.800 3.797 3.668 3.875 . 0 0 "[ . 1 ]" 1
478 1 25 VAL MG2 1 33 HIS HE1 4.800 . 4.800 2.365 2.307 2.467 . 0 0 "[ . 1 ]" 1
479 1 26 ASP H 1 33 HIS HD2 4.800 . 4.800 2.953 2.715 3.176 . 0 0 "[ . 1 ]" 1
480 1 30 LEU HA 1 33 HIS HD2 3.200 . 3.200 1.957 1.820 1.996 . 0 0 "[ . 1 ]" 1
481 1 30 LEU HB3 1 33 HIS HD2 4.800 . 4.800 4.304 3.891 4.508 . 0 0 "[ . 1 ]" 1
482 1 30 LEU HB2 1 33 HIS HD2 4.800 . 4.800 4.789 4.525 4.838 0.038 11 0 "[ . 1 ]" 1
483 1 30 LEU MD1 1 33 HIS HD2 4.800 . 4.800 2.034 1.870 2.173 . 0 0 "[ . 1 ]" 1
484 1 30 LEU MD2 1 33 HIS HD2 4.800 . 4.800 4.029 3.902 4.161 . 0 0 "[ . 1 ]" 1
485 1 32 ARG H 1 33 HIS HD2 4.800 . 4.800 4.005 3.879 4.199 . 0 0 "[ . 1 ]" 1
486 1 31 GLU HA 1 34 LEU MD1 4.800 . 4.800 3.476 3.034 3.783 . 0 0 "[ . 1 ]" 1
487 1 34 LEU H 1 34 LEU MD1 4.800 . 4.800 4.101 3.979 4.194 . 0 0 "[ . 1 ]" 1
488 1 34 LEU H 1 34 LEU HG 3.200 . 3.200 3.130 3.024 3.214 0.014 1 0 "[ . 1 ]" 1
489 1 5 ILE MD 1 35 SER HA 4.800 . 4.800 2.513 1.971 2.996 . 0 0 "[ . 1 ]" 1
490 1 5 ILE MG 1 35 SER HA 3.200 . 3.200 1.665 1.549 1.695 0.251 1 0 "[ . 1 ]" 1
491 1 5 ILE MD 1 35 SER H 4.800 . 4.800 4.180 3.910 4.515 . 0 0 "[ . 1 ]" 1
492 1 34 LEU HA 1 35 SER H 2.700 . 2.700 2.162 2.150 2.177 . 0 0 "[ . 1 ]" 1
493 1 34 LEU HB3 1 35 SER H 4.800 . 4.800 3.302 3.189 3.517 . 0 0 "[ . 1 ]" 1
494 1 34 LEU MD1 1 35 SER H 4.800 . 4.800 4.292 4.230 4.389 . 0 0 "[ . 1 ]" 1
495 1 35 SER HA 1 35 SER HB2 2.700 . 2.700 2.822 2.805 2.861 0.161 6 0 "[ . 1 ]" 1
496 1 5 ILE MD 1 36 ALA H 4.800 . 4.800 3.683 3.107 4.188 . 0 0 "[ . 1 ]" 1
497 1 5 ILE MG 1 36 ALA H 4.800 . 4.800 3.330 3.256 3.372 . 0 0 "[ . 1 ]" 1
498 1 35 SER HA 1 36 ALA H 2.700 . 2.700 2.364 2.298 2.395 . 0 0 "[ . 1 ]" 1
499 1 36 ALA H 1 36 ALA HA 2.700 . 2.700 2.792 2.770 2.802 0.102 4 0 "[ . 1 ]" 1
500 1 36 ALA H 1 36 ALA MB 2.700 . 2.700 2.230 2.214 2.237 . 0 0 "[ . 1 ]" 1
501 1 36 ALA H 1 37 GLU H . . 2.700 2.640 2.596 2.702 0.002 1 0 "[ . 1 ]" 1
502 1 37 GLU HA 1 38 ASP H 4.800 . 4.800 3.433 3.402 3.473 . 0 0 "[ . 1 ]" 1
503 1 37 GLU H 1 38 ASP H . . 2.700 2.431 2.374 2.463 . 0 0 "[ . 1 ]" 1
504 1 34 LEU HB3 1 39 PHE H 4.800 . 4.800 2.883 2.760 3.036 . 0 0 "[ . 1 ]" 1
505 1 34 LEU HB2 1 39 PHE H 4.800 . 4.800 4.559 4.407 4.737 . 0 0 "[ . 1 ]" 1
506 1 34 LEU MD1 1 39 PHE H 4.800 . 4.800 2.957 2.863 3.083 . 0 0 "[ . 1 ]" 1
507 1 38 ASP H 1 39 PHE H . . 2.700 2.383 2.304 2.483 . 0 0 "[ . 1 ]" 1
508 1 36 ALA HA 1 40 SER H 4.800 . 4.800 3.575 3.489 3.717 . 0 0 "[ . 1 ]" 1
509 1 39 PHE HA 1 40 SER H 3.200 . 3.200 3.464 3.443 3.470 0.270 10 0 "[ . 1 ]" 1
510 1 39 PHE H 1 41 ARG H 4.800 . 4.800 3.936 3.753 4.175 . 0 0 "[ . 1 ]" 1
511 1 34 LEU MD1 1 42 VAL MG1 4.800 . 4.800 2.014 1.871 2.106 . 0 0 "[ . 1 ]" 1
512 1 34 LEU MD1 1 42 VAL MG2 4.800 . 4.800 1.805 1.560 1.872 0.240 1 0 "[ . 1 ]" 1
513 1 34 LEU MD2 1 42 VAL MG2 4.800 . 4.800 2.496 2.307 2.604 . 0 0 "[ . 1 ]" 1
514 1 39 PHE HA 1 42 VAL MG2 4.800 . 4.800 3.218 2.538 3.377 . 0 0 "[ . 1 ]" 1
515 1 42 VAL HA 1 42 VAL MG1 3.200 . 3.200 2.666 2.439 2.696 . 0 0 "[ . 1 ]" 1
516 1 42 VAL HA 1 42 VAL MG2 3.200 . 3.200 2.066 2.002 2.288 . 0 0 "[ . 1 ]" 1
517 1 42 VAL H 1 42 VAL HB 3.200 . 3.200 2.241 2.203 2.428 . 0 0 "[ . 1 ]" 1
518 1 42 VAL H 1 42 VAL MG1 4.800 . 4.800 3.642 3.577 3.735 . 0 0 "[ . 1 ]" 1
519 1 42 VAL H 1 42 VAL MG2 3.200 . 3.200 2.794 2.478 2.910 . 0 0 "[ . 1 ]" 1
520 1 39 PHE HA 1 43 PHE H 4.800 . 4.800 3.347 3.315 3.388 . 0 0 "[ . 1 ]" 1
521 1 42 VAL MG2 1 43 PHE H 4.800 . 4.800 4.000 3.853 4.036 . 0 0 "[ . 1 ]" 1
522 1 42 VAL H 1 43 PHE H 2.700 . 2.700 2.470 2.392 2.558 . 0 0 "[ . 1 ]" 1
523 1 42 VAL MG1 1 43 PHE HZ 4.800 . 4.800 2.863 2.617 3.006 . 0 0 "[ . 1 ]" 1
524 1 44 ALA H 1 44 ALA HA 2.700 . 2.700 2.266 2.254 2.270 . 0 0 "[ . 1 ]" 1
525 1 40 SER HA 1 45 MET H 4.800 . 4.800 2.475 2.188 2.796 . 0 0 "[ . 1 ]" 1
526 1 44 ALA HA 1 45 MET H 4.800 . 4.800 2.804 2.740 2.865 . 0 0 "[ . 1 ]" 1
527 1 45 MET HA 1 46 SER H 2.700 . 2.700 2.476 2.316 2.717 0.017 12 0 "[ . 1 ]" 1
528 1 39 PHE HZ 1 47 PRO HA 4.800 . 4.800 4.217 3.653 4.682 . 0 0 "[ . 1 ]" 1
529 1 47 PRO HA 1 48 GLU H 3.200 . 3.200 3.462 3.428 3.479 0.279 12 0 "[ . 1 ]" 1
530 1 48 GLU HA 1 48 GLU HB2 2.700 . 2.700 2.551 2.534 2.565 . 0 0 "[ . 1 ]" 1
531 1 48 GLU H 1 48 GLU HB3 2.700 . 2.700 2.773 2.721 2.797 0.097 6 0 "[ . 1 ]" 1
532 1 48 GLU H 1 48 GLU HB2 3.200 . 3.200 3.465 3.446 3.477 0.277 8 0 "[ . 1 ]" 1
533 1 46 SER H 1 49 GLU HB2 4.800 . 4.800 2.392 2.077 2.654 . 0 0 "[ . 1 ]" 1
534 1 46 SER H 1 49 GLU H 4.800 . 4.800 3.758 3.591 3.939 . 0 0 "[ . 1 ]" 1
535 1 48 GLU HB3 1 49 GLU H 4.800 . 4.800 3.975 3.869 4.003 . 0 0 "[ . 1 ]" 1
536 1 49 GLU H 1 49 GLU HA 2.700 . 2.700 2.684 2.643 2.693 . 0 0 "[ . 1 ]" 1
537 1 49 GLU H 1 49 GLU HB3 3.200 . 3.200 3.442 3.416 3.454 0.254 7 0 "[ . 1 ]" 1
538 1 39 PHE HZ 1 50 PHE H 4.800 . 4.800 3.319 2.919 3.582 . 0 0 "[ . 1 ]" 1
539 1 49 GLU H 1 50 PHE H 2.700 . 2.700 2.724 2.713 2.737 0.037 8 0 "[ . 1 ]" 1
540 1 50 PHE HA 1 51 GLY H 4.800 . 4.800 3.549 3.531 3.557 . 0 0 "[ . 1 ]" 1
541 1 49 GLU HA 1 52 LYS H 4.800 . 4.800 3.689 3.610 4.003 . 0 0 "[ . 1 ]" 1
542 1 51 GLY H 1 52 LYS H . . 2.700 2.754 2.731 2.790 0.090 9 0 "[ . 1 ]" 1
543 1 52 LYS H 1 52 LYS HA 2.700 . 2.700 2.874 2.867 2.881 0.181 12 0 "[ . 1 ]" 1
544 1 45 MET ME 1 53 LEU MD1 4.800 . 4.800 2.788 2.392 3.425 . 0 0 "[ . 1 ]" 1
545 1 50 PHE HA 1 53 LEU MD1 4.800 . 4.800 1.870 1.605 2.331 0.195 1 0 "[ . 1 ]" 1
546 1 52 LYS HA 1 53 LEU H 3.200 . 3.200 3.417 3.345 3.436 0.236 4 0 "[ . 1 ]" 1
547 1 53 LEU HA 1 53 LEU HB3 2.700 . 2.700 2.565 2.478 2.596 . 0 0 "[ . 1 ]" 1
548 1 53 LEU MD1 1 53 LEU MD2 2.700 . 2.700 2.064 2.036 2.083 . 0 0 "[ . 1 ]" 1
549 1 53 LEU H 1 53 LEU HB2 3.200 . 3.200 2.363 2.269 2.533 . 0 0 "[ . 1 ]" 1
550 1 53 LEU H 1 53 LEU MD1 4.800 . 4.800 3.470 3.370 3.761 . 0 0 "[ . 1 ]" 1
551 1 53 LEU H 1 53 LEU MD2 4.800 . 4.800 3.702 2.972 3.939 . 0 0 "[ . 1 ]" 1
552 1 53 LEU H 1 53 LEU HG 2.700 . 2.700 2.505 2.265 2.706 0.006 1 0 "[ . 1 ]" 1
553 1 53 LEU HA 1 54 ALA H 2.700 . 2.700 2.654 2.543 2.701 0.001 1 0 "[ . 1 ]" 1
554 1 54 ALA H 1 55 LEU H 4.800 . 4.800 4.381 4.353 4.409 . 0 0 "[ . 1 ]" 1
555 1 55 LEU HA 1 55 LEU MD1 3.200 . 3.200 2.270 2.167 2.417 . 0 0 "[ . 1 ]" 1
556 1 55 LEU H 1 55 LEU MD1 4.800 . 4.800 4.260 4.220 4.304 . 0 0 "[ . 1 ]" 1
557 1 54 ALA H 1 56 TRP HE1 4.800 . 4.800 4.879 4.801 4.917 0.117 5 0 "[ . 1 ]" 1
558 1 54 ALA MB 1 56 TRP HE3 4.800 . 4.800 4.611 4.527 4.661 . 0 0 "[ . 1 ]" 1
559 1 56 TRP H 1 56 TRP HA 2.700 . 2.700 2.833 2.822 2.837 0.137 8 0 "[ . 1 ]" 1
560 1 56 TRP H 1 56 TRP HE1 4.800 . 4.800 4.007 3.938 4.067 . 0 0 "[ . 1 ]" 1
561 1 56 TRP H 1 56 TRP HE3 4.800 . 4.800 4.839 4.819 4.849 0.049 12 0 "[ . 1 ]" 1
562 1 56 TRP H 1 57 LYS H . . 2.700 2.608 2.572 2.707 0.007 1 0 "[ . 1 ]" 1
563 1 50 PHE HZ 1 58 ARG HA 4.800 . 4.800 2.678 2.434 2.962 . 0 0 "[ . 1 ]" 1
564 1 50 PHE HZ 1 58 ARG HB3 4.800 . 4.800 3.466 3.218 3.748 . 0 0 "[ . 1 ]" 1
565 1 50 PHE HZ 1 58 ARG HB2 4.800 . 4.800 4.752 4.585 4.873 0.073 9 0 "[ . 1 ]" 1
566 1 53 LEU MD1 1 58 ARG HA 4.800 . 4.800 3.192 2.949 3.369 . 0 0 "[ . 1 ]" 1
567 1 55 LEU HA 1 58 ARG HB2 3.200 . 3.200 2.580 2.452 2.689 . 0 0 "[ . 1 ]" 1
568 1 57 LYS H 1 58 ARG H 2.700 . 2.700 2.655 2.626 2.704 0.004 1 0 "[ . 1 ]" 1
569 1 58 ARG HA 1 59 ASN H 4.800 . 4.800 3.547 3.534 3.559 . 0 0 "[ . 1 ]" 1
570 1 58 ARG H 1 59 ASN H . . 2.700 2.607 2.550 2.669 . 0 0 "[ . 1 ]" 1
571 1 59 ASN H 1 59 ASN HB3 3.200 . 3.200 3.377 3.347 3.393 0.193 5 0 "[ . 1 ]" 1
572 1 59 ASN H 1 60 GLU H . . 2.700 2.666 2.609 2.701 0.001 13 0 "[ . 1 ]" 1
573 1 45 MET ME 1 61 LEU MD1 4.800 . 4.800 1.728 1.505 1.827 0.295 1 0 "[ . 1 ]" 1
574 1 45 MET ME 1 61 LEU MD2 4.800 . 4.800 2.030 1.900 2.365 . 0 0 "[ . 1 ]" 1
575 1 53 LEU MD1 1 61 LEU MD1 4.800 . 4.800 1.990 1.777 2.144 0.023 1 0 "[ . 1 ]" 1
576 1 60 GLU H 1 61 LEU H . . 2.700 2.570 2.516 2.663 . 0 0 "[ . 1 ]" 1
577 1 61 LEU H 1 61 LEU HB2 2.700 . 2.700 2.358 2.271 2.441 . 0 0 "[ . 1 ]" 1
578 1 61 LEU H 1 61 LEU MD1 4.800 . 4.800 3.763 3.428 3.984 . 0 0 "[ . 1 ]" 1
579 1 61 LEU H 1 61 LEU MD2 4.800 . 4.800 3.722 3.438 3.935 . 0 0 "[ . 1 ]" 1
580 1 50 PHE HZ 1 62 LYS H 4.800 . 4.800 2.616 2.447 2.808 . 0 0 "[ . 1 ]" 1
581 1 58 ARG HE 1 62 LYS H 4.800 . 4.800 4.803 4.284 4.890 0.090 5 0 "[ . 1 ]" 1
582 1 59 ASN H 1 62 LYS H 4.800 . 4.800 4.640 4.549 4.709 . 0 0 "[ . 1 ]" 1
583 1 61 LEU HB2 1 62 LYS H 4.800 . 4.800 2.360 2.322 2.405 . 0 0 "[ . 1 ]" 1
584 1 61 LEU H 1 62 LYS H . . 2.700 2.445 2.381 2.544 . 0 0 "[ . 1 ]" 1
585 1 60 GLU HA 1 63 LYS H 4.800 . 4.800 4.007 3.899 4.130 . 0 0 "[ . 1 ]" 1
586 1 61 LEU H 1 63 LYS H 4.800 . 4.800 3.651 3.586 3.743 . 0 0 "[ . 1 ]" 1
587 1 61 LEU HA 1 64 LYS H 3.200 . 3.200 3.223 3.193 3.237 0.037 7 0 "[ . 1 ]" 1
588 1 63 LYS H 1 64 LYS H 2.700 . 2.700 2.444 2.367 2.487 . 0 0 "[ . 1 ]" 1
589 1 64 LYS H 1 64 LYS HA 2.700 . 2.700 2.793 2.784 2.805 0.105 1 0 "[ . 1 ]" 1
590 1 42 VAL MG1 1 65 ALA MB 4.800 . 4.800 1.696 1.600 1.767 0.200 1 0 "[ . 1 ]" 1
591 1 61 LEU HA 1 65 ALA H 4.800 . 4.800 4.780 4.722 4.824 0.024 6 0 "[ . 1 ]" 1
592 1 65 ALA HA 1 66 SER H 4.800 . 4.800 3.368 3.325 3.404 . 0 0 "[ . 1 ]" 1
593 1 65 ALA MB 1 66 SER H 4.800 . 4.800 3.156 3.033 3.255 . 0 0 "[ . 1 ]" 1
594 1 65 ALA H 1 66 SER H 2.700 . 2.700 2.269 2.050 2.341 . 0 0 "[ . 1 ]" 1
595 1 66 SER H 1 66 SER HA 2.700 . 2.700 2.283 2.279 2.303 . 0 0 "[ . 1 ]" 1
596 1 42 VAL MG1 1 67 LEU MD1 4.800 . 4.800 2.814 2.121 2.996 . 0 0 "[ . 1 ]" 1
597 1 42 VAL MG2 1 67 LEU MD1 4.800 . 4.800 3.704 2.946 3.840 . 0 0 "[ . 1 ]" 1
598 1 43 PHE HZ 1 67 LEU HB2 4.800 . 4.800 2.954 2.569 3.232 . 0 0 "[ . 1 ]" 1
599 1 43 PHE HZ 1 67 LEU MD1 3.200 . 3.200 2.092 1.894 2.416 . 0 0 "[ . 1 ]" 1
600 1 43 PHE HZ 1 67 LEU MD2 4.800 . 4.800 4.062 3.992 4.159 . 0 0 "[ . 1 ]" 1
601 1 63 LYS HA 1 67 LEU H 4.800 . 4.800 3.633 3.424 3.945 . 0 0 "[ . 1 ]" 1
602 1 65 ALA H 1 67 LEU H 4.800 . 4.800 3.469 3.382 3.575 . 0 0 "[ . 1 ]" 1
603 1 66 SER H 1 67 LEU H . . 2.700 2.451 2.394 2.505 . 0 0 "[ . 1 ]" 1
604 1 67 LEU H 1 67 LEU MD1 4.800 . 4.800 3.930 3.832 3.980 . 0 0 "[ . 1 ]" 1
605 1 67 LEU H 1 67 LEU MD2 4.800 . 4.800 2.868 2.743 3.042 . 0 0 "[ . 1 ]" 1
606 1 67 LEU H 1 67 LEU HG 4.800 . 4.800 2.465 2.295 2.557 . 0 0 "[ . 1 ]" 1
607 1 59 ASN HB3 1 68 PHE HZ 4.800 . 4.800 3.694 3.612 3.784 . 0 0 "[ . 1 ]" 1
608 1 59 ASN HB2 1 68 PHE HZ 4.800 . 4.800 4.801 4.742 4.825 0.025 5 0 "[ . 1 ]" 1
609 1 67 LEU MD2 1 68 PHE H 4.800 . 4.800 4.336 4.292 4.383 . 0 0 "[ . 1 ]" 1
610 1 5 ILE HA 1 5 ILE MD 3.200 . 3.200 2.292 2.231 2.404 . 0 0 "[ . 1 ]" 1
611 1 5 ILE HA 1 5 ILE MG 2.700 . 2.700 2.320 2.278 2.394 . 0 0 "[ . 1 ]" 1
612 1 8 TYR HA 1 11 LEU MD1 3.200 . 3.200 2.680 2.484 3.112 . 0 0 "[ . 1 ]" 1
613 1 14 THR HA 1 14 THR HB 2.700 . 2.700 2.840 2.798 2.908 0.208 10 0 "[ . 1 ]" 1
614 1 3 LEU MD2 1 25 VAL MG1 4.800 . 4.800 3.649 3.411 3.981 . 0 0 "[ . 1 ]" 1
615 1 3 LEU MD2 1 25 VAL MG2 4.800 . 4.800 3.484 3.287 3.783 . 0 0 "[ . 1 ]" 1
616 1 11 LEU MD2 1 25 VAL MG2 4.800 . 4.800 2.002 1.777 2.256 0.023 1 0 "[ . 1 ]" 1
617 1 25 VAL MG1 1 30 LEU HA 4.800 . 4.800 3.242 3.097 3.381 . 0 0 "[ . 1 ]" 1
618 1 3 LEU MD1 1 33 HIS HA 4.800 . 4.800 4.188 3.884 4.572 . 0 0 "[ . 1 ]" 1
619 1 3 LEU HG 1 33 HIS HE1 4.800 . 4.800 4.655 4.429 4.811 0.011 3 0 "[ . 1 ]" 1
620 1 5 ILE MD 1 33 HIS HA 4.800 . 4.800 3.362 3.090 3.623 . 0 0 "[ . 1 ]" 1
621 1 5 ILE MG 1 33 HIS HA 4.800 . 4.800 4.068 3.871 4.180 . 0 0 "[ . 1 ]" 1
622 1 11 LEU MD1 1 33 HIS HA 4.800 . 4.800 4.028 3.741 4.095 . 0 0 "[ . 1 ]" 1
623 1 11 LEU MD2 1 33 HIS HD2 4.800 . 4.800 3.152 2.740 3.434 . 0 0 "[ . 1 ]" 1
624 1 25 VAL HB 1 33 HIS HE1 4.800 . 4.800 4.868 4.806 4.899 0.099 11 0 "[ . 1 ]" 1
625 1 33 HIS HA 1 33 HIS HD2 4.800 . 4.800 4.244 4.185 4.369 . 0 0 "[ . 1 ]" 1
626 1 5 ILE MD 1 34 LEU HA 4.800 . 4.800 4.487 4.327 4.607 . 0 0 "[ . 1 ]" 1
627 1 5 ILE MG 1 34 LEU HA 4.800 . 4.800 3.610 3.501 3.700 . 0 0 "[ . 1 ]" 1
628 1 11 LEU MD1 1 34 LEU HA 4.800 . 4.800 3.702 3.339 4.124 . 0 0 "[ . 1 ]" 1
629 1 34 LEU HA 1 34 LEU HB3 2.700 . 2.700 2.724 2.716 2.729 0.029 5 0 "[ . 1 ]" 1
630 1 34 LEU HA 1 34 LEU MD1 4.800 . 4.800 3.635 3.506 3.676 . 0 0 "[ . 1 ]" 1
631 1 34 LEU HA 1 34 LEU MD2 2.700 . 2.700 1.816 1.678 1.892 0.122 1 0 "[ . 1 ]" 1
632 1 5 ILE MG 1 35 SER HB3 4.800 . 4.800 3.277 3.059 3.342 . 0 0 "[ . 1 ]" 1
633 1 5 ILE MG 1 35 SER HB2 3.200 . 3.200 2.608 2.385 2.864 . 0 0 "[ . 1 ]" 1
634 1 35 SER HA 1 35 SER HB3 2.700 . 2.700 2.835 2.789 2.856 0.156 4 0 "[ . 1 ]" 1
635 1 34 LEU MD2 1 38 ASP HA 4.800 . 4.800 4.018 3.922 4.073 . 0 0 "[ . 1 ]" 1
636 1 34 LEU MD1 1 39 PHE HA 2.700 . 2.700 1.885 1.835 2.046 . 0 0 "[ . 1 ]" 1
637 1 38 ASP HA 1 42 VAL MG2 4.800 . 4.800 3.131 3.015 3.194 . 0 0 "[ . 1 ]" 1
638 1 39 PHE HA 1 42 VAL MG1 4.800 . 4.800 3.240 3.129 3.414 . 0 0 "[ . 1 ]" 1
639 1 42 VAL MG1 1 43 PHE HA 4.800 . 4.800 3.216 3.057 3.506 . 0 0 "[ . 1 ]" 1
640 1 45 MET HA 1 45 MET ME 4.800 . 4.800 4.213 3.829 4.535 . 0 0 "[ . 1 ]" 1
641 1 46 SER HA 1 46 SER HB3 2.700 . 2.700 2.429 2.288 2.787 0.087 3 0 "[ . 1 ]" 1
642 1 46 SER HA 1 46 SER HB2 2.700 . 2.700 2.555 2.414 2.864 0.164 3 0 "[ . 1 ]" 1
643 1 39 PHE HZ 1 50 PHE HA 4.800 . 4.800 3.480 3.286 3.688 . 0 0 "[ . 1 ]" 1
644 1 48 GLU HA 1 51 GLY H 2.700 . 2.700 2.809 2.711 2.840 0.140 12 0 "[ . 1 ]" 1
645 1 48 GLU HA 1 52 LYS H 4.800 . 4.800 4.482 4.373 4.580 . 0 0 "[ . 1 ]" 1
646 1 39 PHE HZ 1 53 LEU MD1 4.800 . 4.800 3.292 3.112 3.390 . 0 0 "[ . 1 ]" 1
647 1 55 LEU MD1 1 56 TRP HA 4.800 . 4.800 4.355 4.017 4.542 . 0 0 "[ . 1 ]" 1
648 1 53 LEU HB2 1 58 ARG HA 4.800 . 4.800 4.397 4.231 4.576 . 0 0 "[ . 1 ]" 1
649 1 56 TRP HA 1 59 ASN HB2 3.200 . 3.200 2.324 2.236 2.394 . 0 0 "[ . 1 ]" 1
650 1 50 PHE HZ 1 61 LEU HB2 4.800 . 4.800 2.574 2.125 2.857 . 0 0 "[ . 1 ]" 1
651 1 58 ARG HA 1 61 LEU HB2 4.800 . 4.800 2.616 2.421 2.828 . 0 0 "[ . 1 ]" 1
652 1 61 LEU HB2 1 61 LEU MD1 3.200 . 3.200 2.354 2.134 2.486 . 0 0 "[ . 1 ]" 1
653 1 43 PHE HZ 1 62 LYS HA 3.200 . 3.200 2.549 2.309 3.067 . 0 0 "[ . 1 ]" 1
654 1 50 PHE HZ 1 62 LYS HA 4.800 . 4.800 3.594 3.265 3.877 . 0 0 "[ . 1 ]" 1
655 1 59 ASN HA 1 62 LYS HB3 3.200 . 3.200 3.186 2.963 3.244 0.044 5 0 "[ . 1 ]" 1
656 1 59 ASN HA 1 62 LYS HB2 4.800 . 4.800 4.561 4.428 4.670 . 0 0 "[ . 1 ]" 1
657 1 42 VAL MG1 1 65 ALA HA 4.800 . 4.800 3.104 2.931 3.284 . 0 0 "[ . 1 ]" 1
658 1 67 LEU HA 1 67 LEU MD2 2.700 . 2.700 1.998 1.887 2.082 . 0 0 "[ . 1 ]" 1
659 1 59 ASN HA 1 68 PHE HZ 4.800 . 4.800 4.797 4.723 4.825 0.025 2 0 "[ . 1 ]" 1
660 1 2 GLY H 1 3 LEU H 4.800 . 4.800 4.106 2.211 4.646 . 0 0 "[ . 1 ]" 1
661 1 3 LEU H 1 3 LEU HA 2.700 . 2.700 2.824 2.814 2.840 0.140 11 0 "[ . 1 ]" 1
662 1 3 LEU H 1 3 LEU MD1 2.700 . 2.700 2.222 1.928 2.553 . 0 0 "[ . 1 ]" 1
663 1 3 LEU H 1 3 LEU HG 2.700 . 2.700 2.166 1.941 2.550 . 0 0 "[ . 1 ]" 1
664 1 4 GLN H 1 4 GLN HA 2.700 . 2.700 2.794 2.771 2.839 0.139 2 0 "[ . 1 ]" 1
665 1 4 GLN H 1 5 ILE H 4.800 . 4.800 4.585 4.531 4.606 . 0 0 "[ . 1 ]" 1
666 1 5 ILE H 1 5 ILE MD 4.800 . 4.800 3.438 3.188 3.656 . 0 0 "[ . 1 ]" 1
667 1 5 ILE H 1 5 ILE HG13 3.200 . 3.200 3.304 3.227 3.336 0.136 2 0 "[ . 1 ]" 1
668 1 5 ILE H 1 5 ILE HG12 3.200 . 3.200 1.971 1.810 2.103 . 0 0 "[ . 1 ]" 1
669 1 5 ILE HA 1 6 TYR H 2.700 . 2.700 2.161 2.141 2.213 . 0 0 "[ . 1 ]" 1
670 1 5 ILE HB 1 6 TYR H 4.800 . 4.800 4.054 3.850 4.235 . 0 0 "[ . 1 ]" 1
671 1 5 ILE MD 1 6 TYR H 4.800 . 4.800 3.613 3.476 3.833 . 0 0 "[ . 1 ]" 1
672 1 5 ILE MG 1 6 TYR H 3.200 . 3.200 2.318 2.166 2.626 . 0 0 "[ . 1 ]" 1
673 1 5 ILE H 1 6 TYR H 4.800 . 4.800 4.561 4.494 4.600 . 0 0 "[ . 1 ]" 1
674 1 7 PRO HA 1 8 TYR H 2.700 . 2.700 2.739 2.714 2.759 0.059 2 0 "[ . 1 ]" 1
675 1 8 TYR H 1 8 TYR HA 2.700 . 2.700 2.279 2.272 2.289 . 0 0 "[ . 1 ]" 1
676 1 8 TYR HA 1 9 GLU H 3.200 . 3.200 3.491 3.459 3.498 0.298 2 0 "[ . 1 ]" 1
677 1 9 GLU HA 1 10 MET H 4.800 . 4.800 3.457 3.427 3.467 . 0 0 "[ . 1 ]" 1
678 1 9 GLU H 1 10 MET H 2.700 . 2.700 2.828 2.787 2.890 0.190 2 0 "[ . 1 ]" 1
679 1 10 MET H 1 10 MET HA 2.700 . 2.700 2.810 2.800 2.823 0.123 13 0 "[ . 1 ]" 1
680 1 9 GLU HA 1 11 LEU H 4.800 . 4.800 3.710 3.546 3.877 . 0 0 "[ . 1 ]" 1
681 1 9 GLU H 1 11 LEU H 4.800 . 4.800 4.229 4.161 4.270 . 0 0 "[ . 1 ]" 1
682 1 10 MET H 1 11 LEU HB2 4.800 . 4.800 4.893 4.828 4.918 0.118 4 0 "[ . 1 ]" 1
683 1 10 MET H 1 11 LEU HG 4.800 . 4.800 4.288 4.062 4.618 . 0 0 "[ . 1 ]" 1
684 1 11 LEU H 1 11 LEU MD2 4.800 . 4.800 4.046 3.905 4.151 . 0 0 "[ . 1 ]" 1
685 1 11 LEU H 1 11 LEU HG 3.200 . 3.200 2.657 2.531 2.878 . 0 0 "[ . 1 ]" 1
686 1 9 GLU H 1 12 VAL HB 4.800 . 4.800 4.471 4.266 4.743 . 0 0 "[ . 1 ]" 1
687 1 9 GLU HA 1 12 VAL H 4.800 . 4.800 2.893 2.770 3.210 . 0 0 "[ . 1 ]" 1
688 1 10 MET H 1 12 VAL H 4.800 . 4.800 3.798 3.580 4.093 . 0 0 "[ . 1 ]" 1
689 1 11 LEU H 1 12 VAL HA 4.800 . 4.800 4.620 4.352 4.809 0.009 11 0 "[ . 1 ]" 1
690 1 11 LEU HA 1 12 VAL H 4.800 . 4.800 3.469 3.383 3.528 . 0 0 "[ . 1 ]" 1
691 1 12 VAL H 1 12 VAL HB 3.200 . 3.200 2.594 2.325 2.726 . 0 0 "[ . 1 ]" 1
692 1 12 VAL H 1 12 VAL MG2 4.800 . 4.800 2.013 1.794 2.592 0.006 1 0 "[ . 1 ]" 1
693 1 12 VAL MG1 1 13 VAL H 4.800 . 4.800 3.216 1.964 3.966 . 0 0 "[ . 1 ]" 1
694 1 12 VAL MG2 1 13 VAL H 4.800 . 4.800 4.123 3.135 4.350 . 0 0 "[ . 1 ]" 1
695 1 12 VAL H 1 13 VAL H 4.800 . 4.800 4.178 3.578 4.625 . 0 0 "[ . 1 ]" 1
696 1 13 VAL H 1 13 VAL HA 2.700 . 2.700 2.867 2.760 2.918 0.218 10 0 "[ . 1 ]" 1
697 1 13 VAL H 1 13 VAL MG2 3.200 . 3.200 2.329 1.948 2.808 . 0 0 "[ . 1 ]" 1
698 1 13 VAL HA 1 14 THR H 2.700 . 2.700 2.149 2.120 2.168 . 0 0 "[ . 1 ]" 1
699 1 13 VAL HB 1 14 THR H 4.800 . 4.800 4.270 4.145 4.350 . 0 0 "[ . 1 ]" 1
700 1 13 VAL MG1 1 14 THR H 3.200 . 3.200 2.817 2.554 2.930 . 0 0 "[ . 1 ]" 1
701 1 13 VAL H 1 14 THR H 4.800 . 4.800 4.343 4.188 4.461 . 0 0 "[ . 1 ]" 1
702 1 14 THR H 1 14 THR HA 2.700 . 2.700 2.860 2.723 2.912 0.212 10 0 "[ . 1 ]" 1
703 1 14 THR H 1 14 THR HB 3.200 . 3.200 3.233 3.076 3.268 0.068 2 0 "[ . 1 ]" 1
704 1 14 THR H 1 14 THR HG1 2.700 . 2.700 2.130 1.787 2.690 0.013 1 0 "[ . 1 ]" 1
705 1 14 THR HA 1 15 ASN H 3.200 . 3.200 2.643 2.153 3.099 . 0 0 "[ . 1 ]" 1
706 1 15 ASN H 1 15 ASN HA 2.700 . 2.700 2.692 2.275 2.839 0.139 13 0 "[ . 1 ]" 1
707 1 15 ASN HA 1 16 LYS H 3.200 . 3.200 2.514 2.175 3.225 0.025 13 0 "[ . 1 ]" 1
708 1 16 LYS H 1 16 LYS HA 2.700 . 2.700 2.586 2.275 2.840 0.140 13 0 "[ . 1 ]" 1
709 1 18 ARG H 1 18 ARG HA 2.700 . 2.700 2.659 2.278 2.892 0.192 9 0 "[ . 1 ]" 1
710 1 18 ARG H 1 19 THR H 4.800 . 4.800 3.401 2.609 4.521 . 0 0 "[ . 1 ]" 1
711 1 19 THR H 1 19 THR HA 2.700 . 2.700 2.821 2.808 2.865 0.165 7 0 "[ . 1 ]" 1
712 1 19 THR H 1 19 THR HG1 4.800 . 4.800 4.377 4.179 4.408 . 0 0 "[ . 1 ]" 1
713 1 19 THR HB 1 20 LYS H 3.200 . 3.200 3.356 3.261 3.383 0.183 5 0 "[ . 1 ]" 1
714 1 19 THR H 1 20 LYS H 4.800 . 4.800 4.586 4.565 4.599 . 0 0 "[ . 1 ]" 1
715 1 21 LEU H 1 21 LEU HA 2.700 . 2.700 2.855 2.844 2.858 0.158 10 0 "[ . 1 ]" 1
716 1 21 LEU H 1 21 LEU HB2 3.200 . 3.200 2.330 2.146 2.783 . 0 0 "[ . 1 ]" 1
717 1 21 LEU H 1 21 LEU MD1 4.800 . 4.800 3.843 3.415 4.020 . 0 0 "[ . 1 ]" 1
718 1 23 PRO HA 1 24 GLY H 2.700 . 2.700 2.274 2.146 2.425 . 0 0 "[ . 1 ]" 1
719 1 23 PRO HA 1 25 VAL H 4.800 . 4.800 4.803 4.737 4.844 0.044 11 0 "[ . 1 ]" 1
720 1 24 GLY H 1 25 VAL H 3.200 . 3.200 2.661 2.360 3.115 . 0 0 "[ . 1 ]" 1
721 1 25 VAL H 1 25 VAL HA 2.700 . 2.700 2.894 2.886 2.896 0.196 9 0 "[ . 1 ]" 1
722 1 25 VAL H 1 25 VAL MG1 4.800 . 4.800 3.792 3.759 3.839 . 0 0 "[ . 1 ]" 1
723 1 25 VAL H 1 25 VAL MG2 3.200 . 3.200 2.986 2.941 3.046 . 0 0 "[ . 1 ]" 1
724 1 25 VAL H 1 26 ASP HA 4.800 . 4.800 4.898 4.862 4.930 0.130 6 0 "[ . 1 ]" 1
725 1 25 VAL HA 1 26 ASP H 2.700 . 2.700 2.220 2.211 2.229 . 0 0 "[ . 1 ]" 1
726 1 25 VAL MG1 1 26 ASP H 4.800 . 4.800 1.944 1.886 2.007 . 0 0 "[ . 1 ]" 1
727 1 25 VAL H 1 26 ASP H 4.800 . 4.800 4.414 4.395 4.432 . 0 0 "[ . 1 ]" 1
728 1 25 VAL MG1 1 27 ARG H 4.800 . 4.800 3.370 3.152 3.483 . 0 0 "[ . 1 ]" 1
729 1 27 ARG HA 1 28 MET H 4.800 . 4.800 3.524 3.484 3.552 . 0 0 "[ . 1 ]" 1
730 1 28 MET H 1 28 MET HA 2.700 . 2.700 2.876 2.770 2.902 0.202 7 0 "[ . 1 ]" 1
731 1 28 MET H 1 28 MET ME 4.800 . 4.800 3.230 2.139 4.481 . 0 0 "[ . 1 ]" 1
732 1 28 MET H 1 29 ARG H 2.700 . 2.700 2.520 2.313 2.702 0.002 1 0 "[ . 1 ]" 1
733 1 26 ASP H 1 30 LEU MD2 4.800 . 4.800 3.797 3.540 4.017 . 0 0 "[ . 1 ]" 1
734 1 29 ARG H 1 30 LEU MD1 4.800 . 4.800 4.545 4.519 4.569 . 0 0 "[ . 1 ]" 1
735 1 29 ARG H 1 30 LEU MD2 4.800 . 4.800 3.100 2.900 3.478 . 0 0 "[ . 1 ]" 1
736 1 29 ARG HA 1 30 LEU H 3.200 . 3.200 2.585 2.429 2.696 . 0 0 "[ . 1 ]" 1
737 1 30 LEU H 1 30 LEU HB3 3.200 . 3.200 3.291 3.261 3.315 0.115 2 0 "[ . 1 ]" 1
738 1 30 LEU H 1 30 LEU HB2 3.200 . 3.200 2.038 2.016 2.065 . 0 0 "[ . 1 ]" 1
739 1 30 LEU H 1 30 LEU MD1 4.800 . 4.800 3.801 3.729 3.855 . 0 0 "[ . 1 ]" 1
740 1 30 LEU H 1 30 LEU MD2 3.200 . 3.200 2.648 2.504 2.848 . 0 0 "[ . 1 ]" 1
741 1 30 LEU HB2 1 31 GLU H 4.800 . 4.800 3.149 3.080 3.191 . 0 0 "[ . 1 ]" 1
742 1 30 LEU MD1 1 31 GLU H 4.800 . 4.800 4.464 4.368 4.487 . 0 0 "[ . 1 ]" 1
743 1 30 LEU H 1 31 GLU H 3.200 . 3.200 2.428 2.269 2.548 . 0 0 "[ . 1 ]" 1
744 1 3 LEU MD1 1 32 ARG H 4.800 . 4.800 3.960 3.679 4.367 . 0 0 "[ . 1 ]" 1
745 1 31 GLU H 1 32 ARG H 2.700 . 2.700 2.742 2.720 2.765 0.065 4 0 "[ . 1 ]" 1
746 1 32 ARG H 1 32 ARG HA 2.700 . 2.700 2.822 2.786 2.835 0.135 6 0 "[ . 1 ]" 1
747 1 6 TYR H 1 33 HIS HA 4.800 . 4.800 3.268 2.612 3.663 . 0 0 "[ . 1 ]" 1
748 1 26 ASP H 1 33 HIS HE1 4.800 . 4.800 4.149 3.979 4.260 . 0 0 "[ . 1 ]" 1
749 1 32 ARG HA 1 33 HIS H 3.200 . 3.200 3.311 3.269 3.364 0.164 11 0 "[ . 1 ]" 1
750 1 33 HIS H 1 33 HIS HD2 3.200 . 3.200 3.212 3.202 3.226 0.026 5 0 "[ . 1 ]" 1
751 1 5 ILE MD 1 34 LEU H 4.800 . 4.800 4.342 4.194 4.457 . 0 0 "[ . 1 ]" 1
752 1 32 ARG H 1 34 LEU H 4.800 . 4.800 4.243 4.100 4.308 . 0 0 "[ . 1 ]" 1
753 1 33 HIS H 1 34 LEU HG 4.800 . 4.800 4.804 4.781 4.826 0.026 12 0 "[ . 1 ]" 1
754 1 33 HIS H 1 34 LEU H 2.700 . 2.700 2.148 2.068 2.267 . 0 0 "[ . 1 ]" 1
755 1 34 LEU H 1 34 LEU HB3 3.200 . 3.200 3.368 3.331 3.389 0.189 2 0 "[ . 1 ]" 1
756 1 34 LEU H 1 34 LEU HB2 3.200 . 3.200 2.050 2.011 2.072 . 0 0 "[ . 1 ]" 1
757 1 34 LEU H 1 34 LEU MD2 4.800 . 4.800 3.584 3.369 3.678 . 0 0 "[ . 1 ]" 1
758 1 5 ILE MG 1 35 SER H 4.800 . 4.800 2.838 2.581 2.921 . 0 0 "[ . 1 ]" 1
759 1 34 LEU HB2 1 35 SER H 4.800 . 4.800 4.347 4.286 4.459 . 0 0 "[ . 1 ]" 1
760 1 34 LEU MD2 1 35 SER H 4.800 . 4.800 2.450 2.335 2.634 . 0 0 "[ . 1 ]" 1
761 1 34 LEU H 1 35 SER H 4.800 . 4.800 4.552 4.506 4.570 . 0 0 "[ . 1 ]" 1
762 1 35 SER H 1 35 SER HB3 3.200 . 3.200 3.216 3.176 3.279 0.079 6 0 "[ . 1 ]" 1
763 1 35 SER H 1 35 SER HB2 3.200 . 3.200 2.127 2.077 2.149 . 0 0 "[ . 1 ]" 1
764 1 5 ILE HG13 1 36 ALA H 4.800 . 4.800 4.836 4.815 4.858 0.058 2 0 "[ . 1 ]" 1
765 1 35 SER HB3 1 36 ALA H 2.700 . 2.700 2.816 2.751 2.865 0.165 11 0 "[ . 1 ]" 1
766 1 35 SER HA 1 37 GLU H 4.800 . 4.800 4.156 4.088 4.221 . 0 0 "[ . 1 ]" 1
767 1 35 SER HB3 1 37 GLU H 3.200 . 3.200 2.298 2.244 2.325 . 0 0 "[ . 1 ]" 1
768 1 36 ALA MB 1 37 GLU H 2.700 . 2.700 2.678 2.650 2.697 . 0 0 "[ . 1 ]" 1
769 1 37 GLU H 1 37 GLU HA 2.700 . 2.700 2.816 2.810 2.821 0.121 6 0 "[ . 1 ]" 1
770 1 34 LEU MD1 1 38 ASP H 4.800 . 4.800 4.565 4.484 4.634 . 0 0 "[ . 1 ]" 1
771 1 34 LEU MD2 1 38 ASP H 4.800 . 4.800 4.235 4.136 4.421 . 0 0 "[ . 1 ]" 1
772 1 35 SER HA 1 38 ASP H 4.800 . 4.800 4.274 4.224 4.306 . 0 0 "[ . 1 ]" 1
773 1 35 SER HB3 1 38 ASP H 4.800 . 4.800 2.672 2.587 2.799 . 0 0 "[ . 1 ]" 1
774 1 36 ALA H 1 38 ASP H 4.800 . 4.800 3.889 3.851 3.958 . 0 0 "[ . 1 ]" 1
775 1 37 GLU H 1 38 ASP HA 4.800 . 4.800 5.001 4.947 5.024 0.224 9 0 "[ . 1 ]" 1
776 1 38 ASP H 1 38 ASP HA 2.700 . 2.700 2.866 2.855 2.872 0.172 4 0 "[ . 1 ]" 1
777 1 34 LEU HA 1 39 PHE H 4.800 . 4.800 4.870 4.835 4.886 0.086 7 0 "[ . 1 ]" 1
778 1 34 LEU MD2 1 39 PHE H 4.800 . 4.800 3.843 3.684 4.136 . 0 0 "[ . 1 ]" 1
779 1 36 ALA HA 1 39 PHE H 3.200 . 3.200 3.382 3.290 3.427 0.227 11 0 "[ . 1 ]" 1
780 1 37 GLU H 1 39 PHE H 4.800 . 4.800 4.223 4.074 4.421 . 0 0 "[ . 1 ]" 1
781 1 38 ASP HA 1 39 PHE H 4.800 . 4.800 3.568 3.537 3.598 . 0 0 "[ . 1 ]" 1
782 1 34 LEU MD1 1 40 SER H 4.800 . 4.800 4.590 4.539 4.630 . 0 0 "[ . 1 ]" 1
783 1 38 ASP HA 1 40 SER H 4.800 . 4.800 4.635 4.346 4.773 . 0 0 "[ . 1 ]" 1
784 1 38 ASP H 1 40 SER H 4.800 . 4.800 3.963 3.786 4.099 . 0 0 "[ . 1 ]" 1
785 1 39 PHE H 1 40 SER H 2.700 . 2.700 2.712 2.565 2.751 0.051 13 0 "[ . 1 ]" 1
786 1 40 SER H 1 40 SER HA 2.700 . 2.700 2.753 2.740 2.787 0.087 1 0 "[ . 1 ]" 1
787 1 38 ASP HA 1 41 ARG HE 4.800 . 4.800 4.127 3.073 4.805 0.005 2 0 "[ . 1 ]" 1
788 1 38 ASP HA 1 41 ARG H 3.200 . 3.200 3.344 3.290 3.376 0.176 9 0 "[ . 1 ]" 1
789 1 39 PHE HA 1 41 ARG H 4.800 . 4.800 4.083 4.019 4.155 . 0 0 "[ . 1 ]" 1
790 1 40 SER H 1 41 ARG H 2.700 . 2.700 2.738 2.582 2.781 0.081 9 0 "[ . 1 ]" 1
791 1 41 ARG H 1 41 ARG HA 2.700 . 2.700 2.870 2.853 2.873 0.173 7 0 "[ . 1 ]" 1
792 1 38 ASP HA 1 42 VAL H 4.800 . 4.800 3.871 3.735 3.931 . 0 0 "[ . 1 ]" 1
793 1 39 PHE HA 1 42 VAL H 4.800 . 4.800 3.175 3.075 3.265 . 0 0 "[ . 1 ]" 1
794 1 40 SER H 1 42 VAL HB 4.800 . 4.800 4.779 4.651 4.834 0.034 2 0 "[ . 1 ]" 1
795 1 41 ARG H 1 42 VAL HB 4.800 . 4.800 4.084 3.955 4.365 . 0 0 "[ . 1 ]" 1
796 1 41 ARG H 1 42 VAL MG2 4.800 . 4.800 4.048 3.716 4.123 . 0 0 "[ . 1 ]" 1
797 1 41 ARG HA 1 42 VAL H 3.200 . 3.200 3.357 3.321 3.366 0.166 7 0 "[ . 1 ]" 1
798 1 41 ARG H 1 42 VAL H 2.700 . 2.700 2.175 2.108 2.202 . 0 0 "[ . 1 ]" 1
799 1 42 VAL H 1 42 VAL HA 2.700 . 2.700 2.855 2.843 2.866 0.166 2 0 "[ . 1 ]" 1
800 1 42 VAL HA 1 43 PHE H 4.800 . 4.800 3.551 3.532 3.560 . 0 0 "[ . 1 ]" 1
801 1 42 VAL HB 1 43 PHE H 3.200 . 3.200 2.649 2.489 2.701 . 0 0 "[ . 1 ]" 1
802 1 42 VAL MG1 1 43 PHE H 4.800 . 4.800 2.990 2.852 3.209 . 0 0 "[ . 1 ]" 1
803 1 41 ARG HA 1 44 ALA H 4.800 . 4.800 3.667 3.551 3.766 . 0 0 "[ . 1 ]" 1
804 1 42 VAL HA 1 44 ALA H 4.800 . 4.800 4.267 4.160 4.377 . 0 0 "[ . 1 ]" 1
805 1 42 VAL HB 1 44 ALA H 4.800 . 4.800 4.601 4.504 4.670 . 0 0 "[ . 1 ]" 1
806 1 43 PHE H 1 44 ALA HA 4.800 . 4.800 4.361 4.303 4.417 . 0 0 "[ . 1 ]" 1
807 1 43 PHE H 1 44 ALA MB 4.800 . 4.800 4.462 4.448 4.483 . 0 0 "[ . 1 ]" 1
808 1 43 PHE HA 1 44 ALA H 3.200 . 3.200 3.219 3.168 3.247 0.047 10 0 "[ . 1 ]" 1
809 1 43 PHE H 1 44 ALA H 2.700 . 2.700 2.236 2.209 2.273 . 0 0 "[ . 1 ]" 1
810 1 44 ALA H 1 44 ALA MB 2.700 . 2.700 2.724 2.689 2.745 0.045 10 0 "[ . 1 ]" 1
811 1 43 PHE H 1 45 MET ME 4.800 . 4.800 4.558 4.462 4.619 . 0 0 "[ . 1 ]" 1
812 1 43 PHE H 1 45 MET H 4.800 . 4.800 3.521 3.347 3.638 . 0 0 "[ . 1 ]" 1
813 1 44 ALA MB 1 45 MET H 4.800 . 4.800 3.653 3.619 3.676 . 0 0 "[ . 1 ]" 1
814 1 44 ALA H 1 45 MET H 2.700 . 2.700 2.765 2.737 2.795 0.095 7 0 "[ . 1 ]" 1
815 1 45 MET H 1 45 MET HA 2.700 . 2.700 2.882 2.840 2.904 0.204 5 0 "[ . 1 ]" 1
816 1 45 MET H 1 45 MET ME 4.800 . 4.800 3.724 3.580 3.830 . 0 0 "[ . 1 ]" 1
817 1 46 SER H 1 46 SER HA 2.700 . 2.700 2.850 2.799 2.916 0.216 12 0 "[ . 1 ]" 1
818 1 40 SER H 1 47 PRO HA 4.800 . 4.800 4.963 4.862 4.997 0.197 9 0 "[ . 1 ]" 1
819 1 46 SER HA 1 48 GLU H 4.800 . 4.800 3.969 3.723 4.234 . 0 0 "[ . 1 ]" 1
820 1 48 GLU H 1 48 GLU HA 2.700 . 2.700 2.792 2.779 2.799 0.099 5 0 "[ . 1 ]" 1
821 1 46 SER H 1 49 GLU HA 4.800 . 4.800 4.925 4.855 5.040 0.240 7 0 "[ . 1 ]" 1
822 1 48 GLU HA 1 49 GLU H 4.800 . 4.800 3.525 3.504 3.536 . 0 0 "[ . 1 ]" 1
823 1 48 GLU HB2 1 49 GLU H 3.200 . 3.200 3.390 3.278 3.447 0.247 3 0 "[ . 1 ]" 1
824 1 48 GLU H 1 49 GLU H 2.700 . 2.700 2.548 2.501 2.583 . 0 0 "[ . 1 ]" 1
825 1 49 GLU H 1 49 GLU HB2 3.200 . 3.200 2.149 2.121 2.166 . 0 0 "[ . 1 ]" 1
826 1 47 PRO HA 1 50 PHE H 4.800 . 4.800 3.876 3.767 3.946 . 0 0 "[ . 1 ]" 1
827 1 49 GLU HA 1 50 PHE H 3.200 . 3.200 3.412 3.361 3.424 0.224 3 0 "[ . 1 ]" 1
828 1 49 GLU HB3 1 50 PHE H 3.200 . 3.200 3.102 2.967 3.229 0.029 9 0 "[ . 1 ]" 1
829 1 49 GLU HB2 1 50 PHE H 3.200 . 3.200 2.820 2.710 2.930 . 0 0 "[ . 1 ]" 1
830 1 50 PHE H 1 50 PHE HA 2.700 . 2.700 2.820 2.801 2.848 0.148 1 0 "[ . 1 ]" 1
831 1 47 PRO HA 1 51 GLY H 4.800 . 4.800 4.836 4.801 4.888 0.088 9 0 "[ . 1 ]" 1
832 1 49 GLU H 1 51 GLY H 4.800 . 4.800 4.118 4.049 4.174 . 0 0 "[ . 1 ]" 1
833 1 50 PHE H 1 51 GLY H 2.700 . 2.700 2.576 2.428 2.645 . 0 0 "[ . 1 ]" 1
834 1 50 PHE H 1 53 LEU HG 4.800 . 4.800 4.482 3.838 4.661 . 0 0 "[ . 1 ]" 1
835 1 51 GLY H 1 53 LEU H 4.800 . 4.800 4.172 4.099 4.216 . 0 0 "[ . 1 ]" 1
836 1 52 LYS H 1 53 LEU H 2.700 . 2.700 2.099 1.868 2.181 . 0 0 "[ . 1 ]" 1
837 1 53 LEU H 1 53 LEU HA 2.700 . 2.700 2.767 2.753 2.795 0.095 1 0 "[ . 1 ]" 1
838 1 53 LEU HB3 1 54 ALA H 2.700 . 2.700 1.853 1.784 1.998 0.016 1 0 "[ . 1 ]" 1
839 1 53 LEU HB2 1 54 ALA H 3.200 . 3.200 3.261 3.238 3.280 0.080 2 0 "[ . 1 ]" 1
840 1 53 LEU MD1 1 54 ALA H 4.800 . 4.800 4.041 3.924 4.149 . 0 0 "[ . 1 ]" 1
841 1 53 LEU MD2 1 54 ALA H 3.200 . 3.200 2.905 2.723 3.176 . 0 0 "[ . 1 ]" 1
842 1 53 LEU HG 1 54 ALA H 4.800 . 4.800 4.428 4.310 4.702 . 0 0 "[ . 1 ]" 1
843 1 53 LEU H 1 54 ALA H 4.800 . 4.800 4.526 4.470 4.560 . 0 0 "[ . 1 ]" 1
844 1 54 ALA H 1 54 ALA MB 2.700 . 2.700 2.363 2.352 2.404 . 0 0 "[ . 1 ]" 1
845 1 54 ALA HA 1 55 LEU H 2.700 . 2.700 2.724 2.707 2.751 0.051 7 0 "[ . 1 ]" 1
846 1 54 ALA MB 1 55 LEU H 3.200 . 3.200 2.010 1.966 2.051 . 0 0 "[ . 1 ]" 1
847 1 54 ALA HA 1 56 TRP HE1 4.800 . 4.800 4.489 4.393 4.624 . 0 0 "[ . 1 ]" 1
848 1 54 ALA MB 1 56 TRP HE1 2.700 . 2.700 2.049 1.953 2.121 . 0 0 "[ . 1 ]" 1
849 1 54 ALA HA 1 56 TRP H 4.800 . 4.800 4.383 4.342 4.429 . 0 0 "[ . 1 ]" 1
850 1 54 ALA MB 1 56 TRP H 3.200 . 3.200 2.452 2.421 2.514 . 0 0 "[ . 1 ]" 1
851 1 55 LEU HA 1 56 TRP H 3.200 . 3.200 3.395 3.388 3.402 0.202 7 0 "[ . 1 ]" 1
852 1 55 LEU MD1 1 56 TRP H 4.800 . 4.800 4.355 4.199 4.434 . 0 0 "[ . 1 ]" 1
853 1 55 LEU H 1 56 TRP H 3.200 . 3.200 2.195 2.174 2.287 . 0 0 "[ . 1 ]" 1
854 1 54 ALA MB 1 57 LYS H 3.200 . 3.200 2.400 2.333 2.566 . 0 0 "[ . 1 ]" 1
855 1 56 TRP HA 1 57 LYS H 4.800 . 4.800 3.568 3.556 3.570 . 0 0 "[ . 1 ]" 1
856 1 56 TRP HE1 1 57 LYS H 4.800 . 4.800 4.204 4.172 4.223 . 0 0 "[ . 1 ]" 1
857 1 57 LYS H 1 57 LYS HA 2.700 . 2.700 2.781 2.753 2.788 0.088 3 0 "[ . 1 ]" 1
858 1 53 LEU HB2 1 58 ARG H 4.800 . 4.800 4.616 4.465 4.801 0.001 12 0 "[ . 1 ]" 1
859 1 53 LEU MD1 1 58 ARG H 4.800 . 4.800 4.243 4.032 4.357 . 0 0 "[ . 1 ]" 1
860 1 55 LEU HA 1 58 ARG H 4.800 . 4.800 3.833 3.759 3.895 . 0 0 "[ . 1 ]" 1
861 1 56 TRP HA 1 58 ARG H 4.800 . 4.800 4.316 4.248 4.442 . 0 0 "[ . 1 ]" 1
862 1 57 LYS HA 1 58 ARG H 4.800 . 4.800 3.504 3.494 3.520 . 0 0 "[ . 1 ]" 1
863 1 58 ARG HB3 1 58 ARG HE 4.800 . 4.800 1.738 1.705 1.768 0.095 5 0 "[ . 1 ]" 1
864 1 58 ARG HB2 1 58 ARG HE 4.800 . 4.800 3.290 3.208 3.394 . 0 0 "[ . 1 ]" 1
865 1 58 ARG H 1 58 ARG HE 4.800 . 4.800 4.961 4.828 4.981 0.181 8 0 "[ . 1 ]" 1
866 1 55 LEU HA 1 59 ASN H 4.800 . 4.800 4.057 4.009 4.120 . 0 0 "[ . 1 ]" 1
867 1 56 TRP HA 1 59 ASN H 3.200 . 3.200 3.254 3.229 3.268 0.068 10 0 "[ . 1 ]" 1
868 1 57 LYS H 1 59 ASN H 4.800 . 4.800 4.055 3.978 4.127 . 0 0 "[ . 1 ]" 1
869 1 58 ARG HB3 1 59 ASN H 3.200 . 3.200 3.159 3.095 3.212 0.012 5 0 "[ . 1 ]" 1
870 1 58 ARG HB2 1 59 ASN H 3.200 . 3.200 2.826 2.772 2.856 . 0 0 "[ . 1 ]" 1
871 1 59 ASN H 1 59 ASN HA 2.700 . 2.700 2.798 2.789 2.806 0.106 3 0 "[ . 1 ]" 1
872 1 56 TRP HA 1 60 GLU H 4.800 . 4.800 4.033 3.910 4.153 . 0 0 "[ . 1 ]" 1
873 1 57 LYS HA 1 60 GLU H 3.200 . 3.200 3.276 3.239 3.291 0.091 12 0 "[ . 1 ]" 1
874 1 59 ASN HA 1 60 GLU H 4.800 . 4.800 3.556 3.544 3.569 . 0 0 "[ . 1 ]" 1
875 1 59 ASN HB3 1 60 GLU H 3.200 . 3.200 3.088 2.970 3.150 . 0 0 "[ . 1 ]" 1
876 1 60 GLU H 1 60 GLU HA 2.700 . 2.700 2.788 2.772 2.798 0.098 10 0 "[ . 1 ]" 1
877 1 58 ARG HA 1 61 LEU H 4.800 . 4.800 3.525 3.415 3.704 . 0 0 "[ . 1 ]" 1
878 1 59 ASN HA 1 61 LEU H 4.800 . 4.800 3.929 3.825 4.123 . 0 0 "[ . 1 ]" 1
879 1 60 GLU H 1 61 LEU HG 4.800 . 4.800 4.431 4.274 4.654 . 0 0 "[ . 1 ]" 1
880 1 60 GLU HA 1 61 LEU H 3.200 . 3.200 3.389 3.352 3.422 0.222 7 0 "[ . 1 ]" 1
881 1 61 LEU H 1 61 LEU HG 2.700 . 2.700 2.728 2.707 2.745 0.045 7 0 "[ . 1 ]" 1
882 1 58 ARG HA 1 62 LYS H 4.800 . 4.800 3.694 3.525 3.803 . 0 0 "[ . 1 ]" 1
883 1 59 ASN HA 1 62 LYS H 4.800 . 4.800 3.554 3.456 3.613 . 0 0 "[ . 1 ]" 1
884 1 60 GLU H 1 62 LYS H 4.800 . 4.800 4.448 4.335 4.568 . 0 0 "[ . 1 ]" 1
885 1 61 LEU HA 1 62 LYS H 4.800 . 4.800 3.551 3.542 3.559 . 0 0 "[ . 1 ]" 1
886 1 62 LYS H 1 62 LYS HB3 2.700 . 2.700 2.075 2.044 2.121 . 0 0 "[ . 1 ]" 1
887 1 62 LYS H 1 62 LYS HB2 3.200 . 3.200 3.380 3.342 3.428 0.228 11 0 "[ . 1 ]" 1
888 1 59 ASN HA 1 63 LYS H 4.800 . 4.800 4.046 3.852 4.176 . 0 0 "[ . 1 ]" 1
889 1 62 LYS H 1 63 LYS H 2.700 . 2.700 2.764 2.729 2.799 0.099 5 0 "[ . 1 ]" 1
890 1 63 LYS H 1 63 LYS HA 2.700 . 2.700 2.828 2.808 2.846 0.146 11 0 "[ . 1 ]" 1
891 1 63 LYS HA 1 64 LYS H 3.200 . 3.200 3.426 3.372 3.451 0.251 2 0 "[ . 1 ]" 1
892 1 62 LYS HA 1 65 ALA H 3.200 . 3.200 3.333 3.265 3.391 0.191 11 0 "[ . 1 ]" 1
893 1 63 LYS H 1 65 ALA H 4.800 . 4.800 3.920 3.819 4.000 . 0 0 "[ . 1 ]" 1
894 1 64 LYS H 1 65 ALA MB 4.800 . 4.800 4.220 4.106 4.282 . 0 0 "[ . 1 ]" 1
895 1 64 LYS HA 1 65 ALA H 3.200 . 3.200 3.425 3.353 3.443 0.243 11 0 "[ . 1 ]" 1
896 1 64 LYS H 1 65 ALA H 2.700 . 2.700 2.465 2.344 2.531 . 0 0 "[ . 1 ]" 1
897 1 65 ALA H 1 65 ALA HA 2.700 . 2.700 2.889 2.882 2.896 0.196 1 0 "[ . 1 ]" 1
898 1 65 ALA H 1 65 ALA MB 2.700 . 2.700 2.299 2.267 2.376 . 0 0 "[ . 1 ]" 1
899 1 63 LYS HA 1 66 SER H 2.700 . 2.700 2.827 2.756 2.851 0.151 3 0 "[ . 1 ]" 1
900 1 64 LYS HA 1 66 SER H 4.800 . 4.800 3.957 3.809 4.141 . 0 0 "[ . 1 ]" 1
901 1 65 ALA MB 1 67 LEU H 4.800 . 4.800 2.684 2.481 2.801 . 0 0 "[ . 1 ]" 1
902 1 66 SER H 1 67 LEU HB2 4.800 . 4.800 4.778 4.737 4.818 0.018 10 0 "[ . 1 ]" 1
903 1 66 SER H 1 67 LEU MD2 4.800 . 4.800 4.371 4.192 4.490 . 0 0 "[ . 1 ]" 1
904 1 66 SER HA 1 67 LEU H 3.200 . 3.200 3.090 3.025 3.161 . 0 0 "[ . 1 ]" 1
905 1 67 LEU H 1 67 LEU HB2 3.200 . 3.200 2.544 2.498 2.592 . 0 0 "[ . 1 ]" 1
906 1 63 LYS HA 1 68 PHE H 3.200 . 3.200 2.963 2.453 3.209 0.009 5 0 "[ . 1 ]" 1
907 1 66 SER H 1 68 PHE H 4.800 . 4.800 3.761 3.523 3.962 . 0 0 "[ . 1 ]" 1
908 1 67 LEU HB2 1 68 PHE H 4.800 . 4.800 3.526 3.104 3.876 . 0 0 "[ . 1 ]" 1
909 1 67 LEU H 1 68 PHE H 2.700 . 2.700 2.492 2.370 2.630 . 0 0 "[ . 1 ]" 1
910 1 68 PHE H 1 68 PHE HA 2.700 . 2.700 2.813 2.729 2.867 0.167 5 0 "[ . 1 ]" 1
911 1 9 GLU H 1 12 VAL MG2 4.800 . 4.800 3.187 2.649 3.655 . 0 0 "[ . 1 ]" 1
912 1 11 LEU H 1 12 VAL MG2 4.800 . 4.800 3.310 2.840 3.850 . 0 0 "[ . 1 ]" 1
913 1 21 LEU MD1 1 27 ARG H 4.800 . 4.800 3.628 2.305 4.231 . 0 0 "[ . 1 ]" 1
914 1 28 MET HA 1 29 ARG H 4.800 . 4.800 3.225 3.158 3.410 . 0 0 "[ . 1 ]" 1
915 1 29 ARG HA 1 31 GLU H 4.800 . 4.800 3.290 3.243 3.347 . 0 0 "[ . 1 ]" 1
916 1 30 LEU MD2 1 31 GLU H 4.800 . 4.800 4.465 4.377 4.495 . 0 0 "[ . 1 ]" 1
917 1 3 LEU MD1 1 33 HIS HD2 4.800 . 4.800 3.532 2.897 4.252 . 0 0 "[ . 1 ]" 1
918 1 11 LEU MD1 1 34 LEU H 4.800 . 4.800 3.679 3.444 3.897 . 0 0 "[ . 1 ]" 1
919 1 33 HIS HA 1 34 LEU H 4.800 . 4.800 3.500 3.471 3.529 . 0 0 "[ . 1 ]" 1
920 1 35 SER H 1 36 ALA H 4.800 . 4.800 4.570 4.552 4.594 . 0 0 "[ . 1 ]" 1
921 1 35 SER H 1 38 ASP H 4.800 . 4.800 3.663 3.523 3.743 . 0 0 "[ . 1 ]" 1
922 1 40 SER HA 1 41 ARG H 3.200 . 3.200 3.449 3.416 3.467 0.267 3 0 "[ . 1 ]" 1
923 1 39 PHE HA 1 42 VAL HB 4.800 . 4.800 2.102 1.945 2.187 . 0 0 "[ . 1 ]" 1
924 1 45 MET H 1 46 SER H 4.800 . 4.800 4.375 4.298 4.400 . 0 0 "[ . 1 ]" 1
925 1 54 ALA MB 1 58 ARG H 4.800 . 4.800 3.592 3.540 3.664 . 0 0 "[ . 1 ]" 1
926 1 57 LYS HA 1 61 LEU H 4.800 . 4.800 4.293 4.170 4.473 . 0 0 "[ . 1 ]" 1
927 1 61 LEU MD2 1 62 LYS H 4.800 . 4.800 4.515 4.447 4.550 . 0 0 "[ . 1 ]" 1
928 1 42 VAL MG1 1 65 ALA H 4.800 . 4.800 4.094 4.044 4.184 . 0 0 "[ . 1 ]" 1
929 1 66 SER HA 1 68 PHE H 4.800 . 4.800 3.191 3.070 3.496 . 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 20
_Distance_constraint_stats_list.Viol_count 77
_Distance_constraint_stats_list.Viol_total 49.443
_Distance_constraint_stats_list.Viol_max 0.115
_Distance_constraint_stats_list.Viol_rms 0.0304
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0146
_Distance_constraint_stats_list.Viol_average_violations_only 0.0494
_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 36 ALA 0.260 0.034 13 0 "[ . 1 ]"
1 38 ASP 1.099 0.095 13 0 "[ . 1 ]"
1 39 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 40 SER 0.260 0.034 13 0 "[ . 1 ]"
1 42 VAL 1.099 0.095 13 0 "[ . 1 ]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 47 PRO 1.593 0.115 6 0 "[ . 1 ]"
1 48 GLU 0.023 0.014 7 0 "[ . 1 ]"
1 51 GLY 1.593 0.115 6 0 "[ . 1 ]"
1 52 LYS 0.023 0.014 7 0 "[ . 1 ]"
1 55 LEU 0.666 0.070 13 0 "[ . 1 ]"
1 56 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 57 LYS 0.035 0.013 5 0 "[ . 1 ]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 59 ASN 0.794 0.070 13 0 "[ . 1 ]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 61 LEU 0.035 0.013 5 0 "[ . 1 ]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 63 LYS 0.129 0.033 3 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 36 ALA O 1 40 SER H 2.300 . 2.300 2.315 2.234 2.334 0.034 13 0 "[ . 1 ]" 2
2 1 36 ALA O 1 40 SER N 3.300 2.500 3.300 3.196 3.115 3.232 . 0 0 "[ . 1 ]" 2
3 1 38 ASP O 1 42 VAL H 2.300 . 2.300 1.721 1.639 1.805 . 0 0 "[ . 1 ]" 2
4 1 38 ASP O 1 42 VAL N 3.300 2.500 3.300 2.415 2.405 2.425 0.095 13 0 "[ . 1 ]" 2
5 1 39 PHE O 1 43 PHE H 2.300 . 2.300 1.676 1.620 1.810 . 0 0 "[ . 1 ]" 2
6 1 39 PHE O 1 43 PHE N 3.300 2.500 3.300 2.651 2.594 2.788 . 0 0 "[ . 1 ]" 2
7 1 47 PRO O 1 51 GLY H 2.300 . 2.300 2.407 2.358 2.415 0.115 6 0 "[ . 1 ]" 2
8 1 47 PRO O 1 51 GLY N 3.300 2.500 3.300 3.311 3.243 3.328 0.028 4 0 "[ . 1 ]" 2
9 1 48 GLU O 1 52 LYS H 2.300 . 2.300 2.209 2.109 2.314 0.014 7 0 "[ . 1 ]" 2
10 1 48 GLU O 1 52 LYS N 3.300 2.500 3.300 2.911 2.857 3.024 . 0 0 "[ . 1 ]" 2
11 1 55 LEU O 1 59 ASN H 2.300 . 2.300 2.351 2.327 2.370 0.070 13 0 "[ . 1 ]" 2
12 1 55 LEU O 1 59 ASN N 3.300 2.500 3.300 3.136 3.103 3.162 . 0 0 "[ . 1 ]" 2
13 1 56 TRP O 1 60 GLU H 2.300 . 2.300 1.808 1.713 1.905 . 0 0 "[ . 1 ]" 2
14 1 56 TRP O 1 60 GLU N 3.300 2.500 3.300 2.749 2.668 2.838 . 0 0 "[ . 1 ]" 2
15 1 57 LYS O 1 61 LEU H 2.300 . 2.300 2.238 2.083 2.313 0.013 5 0 "[ . 1 ]" 2
16 1 57 LYS O 1 61 LEU N 3.300 2.500 3.300 2.948 2.818 3.032 . 0 0 "[ . 1 ]" 2
17 1 58 ARG O 1 62 LYS H 2.300 . 2.300 1.682 1.586 1.815 . 0 0 "[ . 1 ]" 2
18 1 58 ARG O 1 62 LYS N 3.300 2.500 3.300 2.649 2.549 2.777 . 0 0 "[ . 1 ]" 2
19 1 59 ASN O 1 63 LYS H 2.300 . 2.300 2.288 2.163 2.333 0.033 3 0 "[ . 1 ]" 2
20 1 59 ASN O 1 63 LYS N 3.300 2.500 3.300 3.150 3.081 3.220 . 0 0 "[ . 1 ]" 2
stop_
save_
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