NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
377964 |
1ghu   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ghu
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 780
_Distance_constraint_stats_list.Viol_count 1556
_Distance_constraint_stats_list.Viol_total 1624.910
_Distance_constraint_stats_list.Viol_max 0.257
_Distance_constraint_stats_list.Viol_rms 0.0159
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0435
_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 SER 0.306 0.118 11 0 "[ . 1 . 2 ]"
1 3 TRP 3.035 0.118 22 0 "[ . 1 . 2 ]"
1 4 PHE 0.438 0.118 11 0 "[ . 1 . 2 ]"
1 5 PHE 1.650 0.066 18 0 "[ . 1 . 2 ]"
1 6 GLY 0.226 0.069 24 0 "[ . 1 . 2 ]"
1 7 LYS 0.194 0.069 24 0 "[ . 1 . 2 ]"
1 8 ILE 0.113 0.045 18 0 "[ . 1 . 2 ]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 ARG 1.832 0.125 18 0 "[ . 1 . 2 ]"
1 11 ALA 3.371 0.125 18 0 "[ . 1 . 2 ]"
1 12 LYS 0.505 0.035 23 0 "[ . 1 . 2 ]"
1 13 ALA 2.443 0.096 11 0 "[ . 1 . 2 ]"
1 14 GLU 0.107 0.023 18 0 "[ . 1 . 2 ]"
1 15 GLU 0.731 0.055 10 0 "[ . 1 . 2 ]"
1 16 MET 0.249 0.035 23 0 "[ . 1 . 2 ]"
1 17 LEU 0.352 0.063 8 0 "[ . 1 . 2 ]"
1 18 SER 0.071 0.017 18 0 "[ . 1 . 2 ]"
1 19 LYS 0.630 0.062 18 0 "[ . 1 . 2 ]"
1 20 GLN 3.050 0.148 4 0 "[ . 1 . 2 ]"
1 21 ARG 2.179 0.148 4 0 "[ . 1 . 2 ]"
1 22 HIS 1.189 0.116 20 0 "[ . 1 . 2 ]"
1 23 ASP 0.585 0.081 5 0 "[ . 1 . 2 ]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ALA 1.650 0.084 1 0 "[ . 1 . 2 ]"
1 26 PHE 5.329 0.135 4 0 "[ . 1 . 2 ]"
1 27 LEU 0.124 0.029 21 0 "[ . 1 . 2 ]"
1 28 ILE 2.650 0.168 9 0 "[ . 1 . 2 ]"
1 29 ARG 0.138 0.024 8 0 "[ . 1 . 2 ]"
1 30 GLU 0.149 0.045 18 0 "[ . 1 . 2 ]"
1 31 SER 0.234 0.128 9 0 "[ . 1 . 2 ]"
1 32 GLU 0.947 0.257 2 0 "[ . 1 . 2 ]"
1 33 SER 0.593 0.257 2 0 "[ . 1 . 2 ]"
1 34 ALA 0.120 0.049 5 0 "[ . 1 . 2 ]"
1 35 PRO 2.501 0.123 24 0 "[ . 1 . 2 ]"
1 36 GLY 1.374 0.123 24 0 "[ . 1 . 2 ]"
1 37 ASP 1.127 0.102 20 0 "[ . 1 . 2 ]"
1 38 PHE 1.590 0.092 11 0 "[ . 1 . 2 ]"
1 39 SER 0.883 0.072 24 0 "[ . 1 . 2 ]"
1 40 LEU 5.507 0.168 9 0 "[ . 1 . 2 ]"
1 41 SER 7.953 0.121 8 0 "[ . 1 . 2 ]"
1 42 VAL 2.795 0.090 7 0 "[ . 1 . 2 ]"
1 43 LYS 1.789 0.135 4 0 "[ . 1 . 2 ]"
1 44 PHE 0.669 0.169 2 0 "[ . 1 . 2 ]"
1 45 GLY 0.170 0.169 2 0 "[ . 1 . 2 ]"
1 46 ASN 1.379 0.163 15 0 "[ . 1 . 2 ]"
1 47 ASP 1.879 0.163 15 0 "[ . 1 . 2 ]"
1 48 VAL 0.831 0.057 2 0 "[ . 1 . 2 ]"
1 49 GLN 0.111 0.035 23 0 "[ . 1 . 2 ]"
1 50 HIS 6.947 0.144 8 0 "[ . 1 . 2 ]"
1 51 PHE 1.456 0.096 22 0 "[ . 1 . 2 ]"
1 52 LYS 1.946 0.096 22 0 "[ . 1 . 2 ]"
1 53 VAL 0.252 0.036 15 0 "[ . 1 . 2 ]"
1 54 LEU 3.644 0.156 15 0 "[ . 1 . 2 ]"
1 55 ARG 0.817 0.112 6 0 "[ . 1 . 2 ]"
1 56 ASP 0.066 0.028 6 0 "[ . 1 . 2 ]"
1 58 ALA 0.169 0.061 10 0 "[ . 1 . 2 ]"
1 59 GLY 0.198 0.061 10 0 "[ . 1 . 2 ]"
1 60 LYS 0.284 0.063 8 0 "[ . 1 . 2 ]"
1 61 TYR 0.897 0.112 6 0 "[ . 1 . 2 ]"
1 62 PHE 1.369 0.086 22 0 "[ . 1 . 2 ]"
1 63 LEU 1.033 0.115 14 0 "[ . 1 . 2 ]"
1 64 TRP 0.148 0.045 11 0 "[ . 1 . 2 ]"
1 65 VAL 2.149 0.152 22 0 "[ . 1 . 2 ]"
1 66 VAL 1.897 0.129 23 0 "[ . 1 . 2 ]"
1 67 LYS 0.602 0.086 22 0 "[ . 1 . 2 ]"
1 68 PHE 0.197 0.039 24 0 "[ . 1 . 2 ]"
1 69 ASN 0.289 0.063 8 0 "[ . 1 . 2 ]"
1 70 SER 1.199 0.075 12 0 "[ . 1 . 2 ]"
1 71 LEU 0.278 0.049 3 0 "[ . 1 . 2 ]"
1 72 ASN 0.998 0.204 9 0 "[ . 1 . 2 ]"
1 73 GLU 0.460 0.054 18 0 "[ . 1 . 2 ]"
1 74 LEU 1.895 0.075 12 0 "[ . 1 . 2 ]"
1 75 VAL 0.537 0.047 20 0 "[ . 1 . 2 ]"
1 76 ASP 0.204 0.039 6 0 "[ . 1 . 2 ]"
1 77 TYR 1.019 0.055 4 0 "[ . 1 . 2 ]"
1 78 HIS 2.582 0.084 22 0 "[ . 1 . 2 ]"
1 79 ARG 0.629 0.047 20 0 "[ . 1 . 2 ]"
1 80 SER 3.721 0.106 17 0 "[ . 1 . 2 ]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 SER 0.804 0.180 23 0 "[ . 1 . 2 ]"
1 83 VAL 1.858 0.117 22 0 "[ . 1 . 2 ]"
1 84 SER 0.493 0.060 5 0 "[ . 1 . 2 ]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 ASN 0.013 0.013 15 0 "[ . 1 . 2 ]"
1 87 GLN 0.442 0.205 7 0 "[ . 1 . 2 ]"
1 88 GLN 0.367 0.205 7 0 "[ . 1 . 2 ]"
1 89 ILE 0.948 0.180 23 0 "[ . 1 . 2 ]"
1 90 PHE 0.476 0.111 9 0 "[ . 1 . 2 ]"
1 91 LEU 0.170 0.145 14 0 "[ . 1 . 2 ]"
1 92 ARG 1.874 0.145 14 0 "[ . 1 . 2 ]"
1 93 ASP 0.716 0.124 11 0 "[ . 1 . 2 ]"
1 94 ILE 0.334 0.106 15 0 "[ . 1 . 2 ]"
1 95 GLU 0.811 0.116 20 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HA 1 2 SER QB 2.515 . 3.515 2.301 2.148 2.429 . 0 0 "[ . 1 . 2 ]" 1
2 1 2 SER HA 1 3 TRP H 2.848 . 2.848 2.138 2.074 2.233 . 0 0 "[ . 1 . 2 ]" 1
3 1 2 SER HA 1 4 PHE H 4.104 . 4.104 4.086 3.869 4.222 0.118 11 0 "[ . 1 . 2 ]" 1
4 1 2 SER QB 1 3 TRP H 4.657 . 5.657 3.674 3.258 4.073 . 0 0 "[ . 1 . 2 ]" 1
5 1 3 TRP H 1 3 TRP HD1 3.425 . 3.425 3.171 2.448 3.540 0.115 3 0 "[ . 1 . 2 ]" 1
6 1 3 TRP H 1 4 PHE H 3.288 . 3.288 2.543 2.022 3.374 0.086 16 0 "[ . 1 . 2 ]" 1
7 1 3 TRP HA 1 3 TRP HD1 4.275 . 4.275 4.332 4.285 4.393 0.118 22 0 "[ . 1 . 2 ]" 1
8 1 3 TRP QB 1 4 PHE H 5.000 . 6.000 3.619 3.424 4.080 . 0 0 "[ . 1 . 2 ]" 1
9 1 3 TRP HD1 1 75 VAL QG 3.412 . 5.812 3.794 3.023 4.306 . 0 0 "[ . 1 . 2 ]" 1
10 1 3 TRP HZ2 1 72 ASN HA 2.647 . 2.647 2.566 2.259 2.699 0.052 22 0 "[ . 1 . 2 ]" 1
11 1 3 TRP HZ2 1 72 ASN QB 2.386 . 3.386 2.653 2.419 2.979 . 0 0 "[ . 1 . 2 ]" 1
12 1 3 TRP HZ2 1 75 VAL QG 3.069 . 5.469 3.225 2.698 3.986 . 0 0 "[ . 1 . 2 ]" 1
13 1 3 TRP O 1 28 ILE H . . 2.500 2.339 2.030 2.552 0.052 5 0 "[ . 1 . 2 ]" 1
14 1 3 TRP O 1 28 ILE N . 2.500 3.500 3.244 2.945 3.501 0.001 5 0 "[ . 1 . 2 ]" 1
15 1 4 PHE H 1 4 PHE HB2 3.304 . 3.304 2.760 2.582 3.189 . 0 0 "[ . 1 . 2 ]" 1
16 1 4 PHE H 1 4 PHE HB3 2.961 . 2.961 2.648 2.528 2.843 . 0 0 "[ . 1 . 2 ]" 1
17 1 4 PHE H 1 4 PHE QD 3.878 . 5.878 4.360 4.309 4.441 . 0 0 "[ . 1 . 2 ]" 1
18 1 4 PHE HA 1 4 PHE HB2 2.818 . 2.818 2.518 2.439 2.578 . 0 0 "[ . 1 . 2 ]" 1
19 1 4 PHE HA 1 4 PHE QD 2.796 . 4.796 2.645 2.383 3.038 . 0 0 "[ . 1 . 2 ]" 1
20 1 4 PHE HA 1 5 PHE H 2.774 . 2.774 2.116 2.052 2.162 . 0 0 "[ . 1 . 2 ]" 1
21 1 4 PHE HA 1 28 ILE H 3.969 . 3.969 3.069 2.323 3.877 . 0 0 "[ . 1 . 2 ]" 1
22 1 4 PHE HA 1 28 ILE MG 4.171 . 5.171 4.047 3.678 4.283 . 0 0 "[ . 1 . 2 ]" 1
23 1 4 PHE QD 1 28 ILE MG 3.987 . 6.987 2.596 2.145 3.515 . 0 0 "[ . 1 . 2 ]" 1
24 1 5 PHE H 1 5 PHE HB2 3.973 . 3.973 2.734 2.509 3.087 . 0 0 "[ . 1 . 2 ]" 1
25 1 5 PHE H 1 5 PHE QD 3.629 . 5.629 3.198 2.808 3.813 . 0 0 "[ . 1 . 2 ]" 1
26 1 5 PHE H 1 6 GLY H 3.746 . 3.746 3.011 2.343 3.804 0.058 1 0 "[ . 1 . 2 ]" 1
27 1 5 PHE H 1 27 LEU QD 4.477 . 6.877 4.067 3.234 4.483 . 0 0 "[ . 1 . 2 ]" 1
28 1 5 PHE H 1 28 ILE H 4.965 . 4.965 4.049 2.874 4.877 . 0 0 "[ . 1 . 2 ]" 1
29 1 5 PHE H 1 28 ILE MG 4.678 . 5.678 4.540 4.268 4.632 . 0 0 "[ . 1 . 2 ]" 1
30 1 5 PHE HA 1 5 PHE HB2 2.995 . 2.995 3.045 3.031 3.061 0.066 18 0 "[ . 1 . 2 ]" 1
31 1 5 PHE HA 1 5 PHE HB3 2.555 . 2.555 2.558 2.456 2.595 0.040 23 0 "[ . 1 . 2 ]" 1
32 1 5 PHE HB2 1 8 ILE MD 4.772 . 5.772 3.281 2.534 4.399 . 0 0 "[ . 1 . 2 ]" 1
33 1 5 PHE HB2 1 8 ILE MG 5.000 . 6.000 3.453 2.135 4.850 . 0 0 "[ . 1 . 2 ]" 1
34 1 5 PHE HB3 1 8 ILE MD 3.921 . 4.921 3.289 2.378 4.134 . 0 0 "[ . 1 . 2 ]" 1
35 1 5 PHE HB3 1 8 ILE MG 4.071 . 5.071 2.997 2.271 4.116 . 0 0 "[ . 1 . 2 ]" 1
36 1 5 PHE QD 1 28 ILE H 4.437 . 6.437 4.201 3.588 5.035 . 0 0 "[ . 1 . 2 ]" 1
37 1 6 GLY H 1 7 LYS H 4.465 . 4.465 3.698 2.781 4.534 0.069 24 0 "[ . 1 . 2 ]" 1
38 1 6 GLY QA 1 7 LYS H 3.221 . 4.221 2.184 2.056 2.475 . 0 0 "[ . 1 . 2 ]" 1
39 1 7 LYS H 1 7 LYS QB 3.190 . 4.190 2.972 2.429 3.482 . 0 0 "[ . 1 . 2 ]" 1
40 1 7 LYS H 1 8 ILE H 4.004 . 4.004 3.365 2.945 4.032 0.028 20 0 "[ . 1 . 2 ]" 1
41 1 7 LYS QB 1 7 LYS QE 3.788 . 5.788 3.302 2.247 3.997 . 0 0 "[ . 1 . 2 ]" 1
42 1 7 LYS QB 1 8 ILE H 4.039 . 5.039 3.973 3.447 4.110 . 0 0 "[ . 1 . 2 ]" 1
43 1 7 LYS QD 1 32 GLU HA 3.714 . 4.714 3.377 2.358 4.271 . 0 0 "[ . 1 . 2 ]" 1
44 1 8 ILE H 1 8 ILE MD 4.163 . 5.163 3.941 2.146 4.443 . 0 0 "[ . 1 . 2 ]" 1
45 1 8 ILE H 1 8 ILE QG 3.594 . 4.594 3.087 2.349 4.208 . 0 0 "[ . 1 . 2 ]" 1
46 1 8 ILE H 1 8 ILE MG 2.907 . 3.907 2.828 1.910 3.164 . 0 0 "[ . 1 . 2 ]" 1
47 1 8 ILE H 1 29 ARG QB 4.134 . 5.134 2.894 2.244 4.566 . 0 0 "[ . 1 . 2 ]" 1
48 1 8 ILE H 1 29 ARG QD 4.429 . 5.429 4.231 3.506 4.852 . 0 0 "[ . 1 . 2 ]" 1
49 1 8 ILE H 1 30 GLU H 3.926 . 3.926 3.263 2.781 3.971 0.045 18 0 "[ . 1 . 2 ]" 1
50 1 8 ILE HA 1 8 ILE MD 4.033 . 5.033 3.994 3.206 4.258 . 0 0 "[ . 1 . 2 ]" 1
51 1 8 ILE HA 1 9 PRO QD 2.532 . 3.532 2.165 2.068 2.253 . 0 0 "[ . 1 . 2 ]" 1
52 1 8 ILE HB 1 8 ILE MD 3.200 . 4.200 2.645 2.335 3.330 . 0 0 "[ . 1 . 2 ]" 1
53 1 8 ILE HB 1 9 PRO QD 3.940 . 4.940 2.661 2.125 4.014 . 0 0 "[ . 1 . 2 ]" 1
54 1 8 ILE MD 1 12 LYS QB 4.240 . 6.240 3.218 2.336 4.463 . 0 0 "[ . 1 . 2 ]" 1
55 1 8 ILE MD 1 13 ALA HA 3.333 . 4.333 3.006 2.419 3.465 . 0 0 "[ . 1 . 2 ]" 1
56 1 8 ILE MD 1 13 ALA MB 3.191 . 5.191 2.649 2.216 3.307 . 0 0 "[ . 1 . 2 ]" 1
57 1 8 ILE MD 1 27 LEU QD 3.877 . 7.277 2.196 1.918 3.200 . 0 0 "[ . 1 . 2 ]" 1
58 1 8 ILE QG 1 9 PRO QD 2.885 . 4.885 3.375 2.137 3.884 . 0 0 "[ . 1 . 2 ]" 1
59 1 8 ILE MG 1 9 PRO QD 4.512 . 6.512 3.478 3.161 4.156 . 0 0 "[ . 1 . 2 ]" 1
60 1 8 ILE MG 1 29 ARG QB 4.529 . 6.529 3.752 1.999 4.465 . 0 0 "[ . 1 . 2 ]" 1
61 1 9 PRO HA 1 9 PRO QG 3.672 . 4.672 3.397 2.765 3.598 . 0 0 "[ . 1 . 2 ]" 1
62 1 9 PRO HA 1 10 ARG H 2.883 . 2.883 2.344 2.178 2.498 . 0 0 "[ . 1 . 2 ]" 1
63 1 9 PRO QB 1 10 ARG H 3.533 . 4.533 2.625 2.386 3.043 . 0 0 "[ . 1 . 2 ]" 1
64 1 9 PRO QB 1 11 ALA H 3.653 . 4.653 2.880 2.679 3.222 . 0 0 "[ . 1 . 2 ]" 1
65 1 9 PRO QB 1 12 LYS H 3.411 . 4.411 3.126 1.970 3.665 . 0 0 "[ . 1 . 2 ]" 1
66 1 9 PRO QD 1 12 LYS QB 3.754 . 5.754 2.654 2.198 3.328 . 0 0 "[ . 1 . 2 ]" 1
67 1 9 PRO QG 1 10 ARG H 4.321 . 5.321 4.252 3.987 4.586 . 0 0 "[ . 1 . 2 ]" 1
68 1 9 PRO QG 1 11 ALA H 4.216 . 5.216 4.134 3.412 4.777 . 0 0 "[ . 1 . 2 ]" 1
69 1 10 ARG H 1 10 ARG HB2 3.167 . 3.167 2.403 2.304 2.504 . 0 0 "[ . 1 . 2 ]" 1
70 1 10 ARG H 1 10 ARG HB3 3.391 . 3.391 2.740 2.546 2.822 . 0 0 "[ . 1 . 2 ]" 1
71 1 10 ARG H 1 10 ARG QG 3.498 . 4.498 4.039 3.991 4.090 . 0 0 "[ . 1 . 2 ]" 1
72 1 10 ARG H 1 11 ALA H 4.055 . 4.055 2.777 2.576 2.964 . 0 0 "[ . 1 . 2 ]" 1
73 1 10 ARG HA 1 10 ARG QG 3.263 . 4.263 2.356 2.283 2.474 . 0 0 "[ . 1 . 2 ]" 1
74 1 10 ARG HA 1 11 ALA H 3.685 . 3.685 3.513 3.451 3.534 . 0 0 "[ . 1 . 2 ]" 1
75 1 10 ARG HA 1 13 ALA H 3.690 . 3.690 3.632 3.288 3.719 0.029 15 0 "[ . 1 . 2 ]" 1
76 1 10 ARG HA 1 13 ALA MB 3.451 . 4.451 2.647 2.352 2.773 . 0 0 "[ . 1 . 2 ]" 1
77 1 10 ARG HA 1 14 GLU H 4.324 . 4.324 4.114 3.677 4.279 . 0 0 "[ . 1 . 2 ]" 1
78 1 10 ARG HB2 1 11 ALA H 3.802 . 3.802 3.873 3.850 3.927 0.125 18 0 "[ . 1 . 2 ]" 1
79 1 10 ARG HB3 1 11 ALA H 3.139 . 3.139 2.793 2.686 2.949 . 0 0 "[ . 1 . 2 ]" 1
80 1 10 ARG QG 1 11 ALA H 3.708 . 4.708 3.981 3.669 4.107 . 0 0 "[ . 1 . 2 ]" 1
81 1 10 ARG QG 1 50 HIS HE1 4.050 . 5.050 2.894 2.579 3.306 . 0 0 "[ . 1 . 2 ]" 1
82 1 11 ALA H 1 11 ALA HA 3.118 . 3.118 2.982 2.961 3.004 . 0 0 "[ . 1 . 2 ]" 1
83 1 11 ALA H 1 11 ALA MB 2.310 . 3.310 2.374 2.355 2.410 . 0 0 "[ . 1 . 2 ]" 1
84 1 11 ALA H 1 12 LYS H 3.493 . 3.493 2.730 2.642 2.843 . 0 0 "[ . 1 . 2 ]" 1
85 1 11 ALA H 1 13 ALA H 3.951 . 3.951 4.019 3.982 4.047 0.096 11 0 "[ . 1 . 2 ]" 1
86 1 11 ALA HA 1 12 LYS H 3.945 . 3.945 3.608 3.586 3.622 . 0 0 "[ . 1 . 2 ]" 1
87 1 11 ALA HA 1 14 GLU H 3.644 . 3.644 3.590 3.505 3.667 0.023 18 0 "[ . 1 . 2 ]" 1
88 1 11 ALA HA 1 14 GLU QB 2.571 . 3.571 2.736 2.556 2.788 . 0 0 "[ . 1 . 2 ]" 1
89 1 11 ALA HA 1 15 GLU H 4.314 . 4.314 4.091 3.898 4.264 . 0 0 "[ . 1 . 2 ]" 1
90 1 11 ALA O 1 15 GLU H . . 2.300 2.142 2.057 2.206 . 0 0 "[ . 1 . 2 ]" 1
91 1 11 ALA O 1 15 GLU N . 2.500 3.300 3.092 3.032 3.173 . 0 0 "[ . 1 . 2 ]" 1
92 1 12 LYS H 1 12 LYS QB 2.310 . 3.310 2.424 2.270 2.603 . 0 0 "[ . 1 . 2 ]" 1
93 1 12 LYS H 1 13 ALA H 2.791 . 2.791 2.710 2.644 2.784 . 0 0 "[ . 1 . 2 ]" 1
94 1 12 LYS HA 1 12 LYS QD 3.908 . 4.908 3.210 2.213 4.262 . 0 0 "[ . 1 . 2 ]" 1
95 1 12 LYS HA 1 13 ALA H 3.529 . 3.529 3.543 3.532 3.555 0.026 18 0 "[ . 1 . 2 ]" 1
96 1 12 LYS HA 1 15 GLU H 3.539 . 3.539 3.459 3.306 3.563 0.024 18 0 "[ . 1 . 2 ]" 1
97 1 12 LYS HA 1 15 GLU QB 3.444 . 4.444 2.535 2.327 2.883 . 0 0 "[ . 1 . 2 ]" 1
98 1 12 LYS HA 1 16 MET H 4.150 . 4.150 4.046 3.789 4.185 0.035 23 0 "[ . 1 . 2 ]" 1
99 1 12 LYS QD 1 12 LYS QG 2.310 . 4.310 2.129 2.023 2.169 . 0 0 "[ . 1 . 2 ]" 1
100 1 12 LYS QE 1 12 LYS QG 3.071 . 5.071 2.361 2.184 2.966 . 0 0 "[ . 1 . 2 ]" 1
101 1 13 ALA H 1 14 GLU H 4.032 . 4.032 2.675 2.608 2.777 . 0 0 "[ . 1 . 2 ]" 1
102 1 13 ALA HA 1 16 MET H 3.847 . 3.847 3.810 3.655 3.878 0.031 10 0 "[ . 1 . 2 ]" 1
103 1 13 ALA HA 1 16 MET QB 2.961 . 3.961 3.118 2.979 3.183 . 0 0 "[ . 1 . 2 ]" 1
104 1 13 ALA HA 1 27 LEU QD 3.871 . 6.271 2.354 2.161 2.687 . 0 0 "[ . 1 . 2 ]" 1
105 1 13 ALA MB 1 14 GLU H 3.011 . 4.011 2.589 2.482 2.668 . 0 0 "[ . 1 . 2 ]" 1
106 1 13 ALA MB 1 27 LEU QD 3.821 . 7.221 2.111 1.998 2.302 . 0 0 "[ . 1 . 2 ]" 1
107 1 13 ALA MB 1 29 ARG QD 4.439 . 6.439 2.318 2.045 4.817 . 0 0 "[ . 1 . 2 ]" 1
108 1 13 ALA MB 1 50 HIS HE1 3.866 . 4.866 2.411 2.123 3.138 . 0 0 "[ . 1 . 2 ]" 1
109 1 13 ALA O 1 17 LEU H . . 2.300 2.272 2.006 2.324 0.024 5 0 "[ . 1 . 2 ]" 1
110 1 13 ALA O 1 17 LEU N . 2.500 3.300 3.257 2.996 3.317 0.017 17 0 "[ . 1 . 2 ]" 1
111 1 14 GLU H 1 14 GLU QB 2.880 . 3.880 2.456 2.387 2.523 . 0 0 "[ . 1 . 2 ]" 1
112 1 14 GLU H 1 14 GLU QG 3.139 . 4.139 2.512 2.346 2.673 . 0 0 "[ . 1 . 2 ]" 1
113 1 14 GLU H 1 15 GLU H 3.977 . 3.977 2.817 2.733 2.965 . 0 0 "[ . 1 . 2 ]" 1
114 1 14 GLU HA 1 14 GLU QG 3.305 . 4.305 2.447 2.392 2.483 . 0 0 "[ . 1 . 2 ]" 1
115 1 14 GLU HA 1 15 GLU H 3.930 . 3.930 3.599 3.582 3.629 . 0 0 "[ . 1 . 2 ]" 1
116 1 14 GLU HA 1 17 LEU H 4.142 . 4.142 3.811 3.459 4.029 . 0 0 "[ . 1 . 2 ]" 1
117 1 14 GLU HA 1 17 LEU QB 2.922 . 3.922 3.100 2.874 3.354 . 0 0 "[ . 1 . 2 ]" 1
118 1 14 GLU HA 1 48 VAL QG 3.203 . 5.603 2.193 2.017 2.884 . 0 0 "[ . 1 . 2 ]" 1
119 1 14 GLU QG 1 48 VAL HB 3.333 . 4.333 2.420 2.175 3.940 . 0 0 "[ . 1 . 2 ]" 1
120 1 14 GLU QG 1 48 VAL QG 3.480 . 6.880 2.493 1.923 2.928 . 0 0 "[ . 1 . 2 ]" 1
121 1 14 GLU QG 1 50 HIS HE1 3.715 . 4.715 3.658 3.268 4.148 . 0 0 "[ . 1 . 2 ]" 1
122 1 14 GLU O 1 18 SER H . . 2.300 2.245 2.122 2.317 0.017 18 0 "[ . 1 . 2 ]" 1
123 1 14 GLU O 1 18 SER N . 2.500 3.300 3.105 3.019 3.250 . 0 0 "[ . 1 . 2 ]" 1
124 1 15 GLU H 1 15 GLU HA 2.877 . 2.877 2.905 2.884 2.932 0.055 10 0 "[ . 1 . 2 ]" 1
125 1 15 GLU H 1 15 GLU QG 3.711 . 4.711 3.482 2.484 4.132 . 0 0 "[ . 1 . 2 ]" 1
126 1 15 GLU QB 1 16 MET H 2.751 . 3.751 2.584 2.450 2.899 . 0 0 "[ . 1 . 2 ]" 1
127 1 16 MET H 1 16 MET QB 2.924 . 3.924 2.368 2.096 2.527 . 0 0 "[ . 1 . 2 ]" 1
128 1 16 MET H 1 16 MET ME 3.777 . 4.777 3.381 3.160 3.739 . 0 0 "[ . 1 . 2 ]" 1
129 1 16 MET H 1 16 MET QG 3.282 . 4.282 3.383 2.513 3.996 . 0 0 "[ . 1 . 2 ]" 1
130 1 16 MET H 1 17 LEU H 3.470 . 3.470 2.870 2.739 3.036 . 0 0 "[ . 1 . 2 ]" 1
131 1 16 MET HA 1 16 MET ME 2.677 . 3.677 2.552 2.334 2.886 . 0 0 "[ . 1 . 2 ]" 1
132 1 16 MET QB 1 17 LEU H 3.412 . 4.412 2.617 2.404 2.878 . 0 0 "[ . 1 . 2 ]" 1
133 1 16 MET QG 1 17 LEU H 4.308 . 5.308 4.364 3.683 4.756 . 0 0 "[ . 1 . 2 ]" 1
134 1 17 LEU H 1 17 LEU QB 3.038 . 4.038 2.423 2.265 2.602 . 0 0 "[ . 1 . 2 ]" 1
135 1 17 LEU H 1 17 LEU QD 3.388 . 5.788 2.951 2.268 3.704 . 0 0 "[ . 1 . 2 ]" 1
136 1 17 LEU H 1 18 SER H 4.600 . 4.600 2.821 2.643 3.092 . 0 0 "[ . 1 . 2 ]" 1
137 1 17 LEU H 1 48 VAL QG 3.866 . 6.266 3.866 3.428 4.565 . 0 0 "[ . 1 . 2 ]" 1
138 1 17 LEU HA 1 17 LEU QD 3.091 . 5.491 2.284 2.133 2.601 . 0 0 "[ . 1 . 2 ]" 1
139 1 17 LEU HA 1 20 GLN H 3.438 . 3.438 3.256 2.906 3.501 0.063 8 0 "[ . 1 . 2 ]" 1
140 1 17 LEU HA 1 20 GLN QG 3.674 . 4.674 3.713 2.180 4.069 . 0 0 "[ . 1 . 2 ]" 1
141 1 17 LEU QB 1 18 SER H 3.747 . 4.747 2.998 2.639 3.339 . 0 0 "[ . 1 . 2 ]" 1
142 1 17 LEU QB 1 20 GLN QE 4.548 . 5.548 4.505 3.985 4.791 . 0 0 "[ . 1 . 2 ]" 1
143 1 17 LEU QB 1 43 LYS H 4.109 . 5.109 4.087 3.680 4.642 . 0 0 "[ . 1 . 2 ]" 1
144 1 17 LEU QB 1 48 VAL QG 3.627 . 7.027 2.104 1.933 2.463 . 0 0 "[ . 1 . 2 ]" 1
145 1 17 LEU QD 1 18 SER H 4.069 . 6.469 4.333 4.042 4.587 . 0 0 "[ . 1 . 2 ]" 1
146 1 17 LEU QD 1 20 GLN QG 3.771 . 7.171 3.562 2.563 4.429 . 0 0 "[ . 1 . 2 ]" 1
147 1 17 LEU QD 1 25 ALA MB 3.788 . 7.188 3.102 2.411 3.873 . 0 0 "[ . 1 . 2 ]" 1
148 1 17 LEU QD 1 26 PHE HA 3.844 . 6.244 2.311 1.992 2.632 . 0 0 "[ . 1 . 2 ]" 1
149 1 17 LEU QD 1 27 LEU H 3.892 . 6.292 2.511 2.202 2.866 . 0 0 "[ . 1 . 2 ]" 1
150 1 17 LEU QD 1 27 LEU QD 3.707 . 8.507 2.139 1.964 2.459 . 0 0 "[ . 1 . 2 ]" 1
151 1 17 LEU QD 1 41 SER HB2 2.682 . 5.082 2.580 2.232 3.005 . 0 0 "[ . 1 . 2 ]" 1
152 1 17 LEU QD 1 41 SER HB3 3.758 . 6.158 2.790 2.381 3.244 . 0 0 "[ . 1 . 2 ]" 1
153 1 17 LEU QD 1 42 VAL HA 4.264 . 6.664 3.119 2.406 3.838 . 0 0 "[ . 1 . 2 ]" 1
154 1 17 LEU QD 1 43 LYS H 3.659 . 6.059 2.820 1.891 3.647 . 0 0 "[ . 1 . 2 ]" 1
155 1 17 LEU QD 1 48 VAL QG 3.486 . 8.286 2.053 1.944 2.243 . 0 0 "[ . 1 . 2 ]" 1
156 1 18 SER H 1 19 LYS H 3.368 . 3.368 2.808 2.682 3.074 . 0 0 "[ . 1 . 2 ]" 1
157 1 18 SER H 1 48 VAL QG 3.575 . 5.975 3.366 2.702 3.973 . 0 0 "[ . 1 . 2 ]" 1
158 1 18 SER HA 1 48 VAL QG 3.393 . 5.793 3.605 2.893 4.415 . 0 0 "[ . 1 . 2 ]" 1
159 1 19 LYS H 1 19 LYS QB 2.782 . 3.782 2.535 2.191 2.767 . 0 0 "[ . 1 . 2 ]" 1
160 1 19 LYS H 1 19 LYS QG 3.435 . 4.435 2.740 2.200 4.046 . 0 0 "[ . 1 . 2 ]" 1
161 1 19 LYS H 1 20 GLN H 2.740 . 2.740 2.749 2.740 2.765 0.025 8 0 "[ . 1 . 2 ]" 1
162 1 19 LYS HA 1 19 LYS QG 3.395 . 4.395 2.765 2.413 3.515 . 0 0 "[ . 1 . 2 ]" 1
163 1 19 LYS HA 1 20 GLN H 3.561 . 3.561 3.578 3.547 3.623 0.062 18 0 "[ . 1 . 2 ]" 1
164 1 20 GLN H 1 20 GLN QB 2.831 . 3.831 2.322 2.111 2.852 . 0 0 "[ . 1 . 2 ]" 1
165 1 20 GLN H 1 20 GLN QE 4.270 . 4.270 3.818 3.592 4.207 . 0 0 "[ . 1 . 2 ]" 1
166 1 20 GLN H 1 20 GLN QG 3.182 . 4.182 3.559 2.136 3.872 . 0 0 "[ . 1 . 2 ]" 1
167 1 20 GLN H 1 21 ARG H 4.345 . 4.345 4.434 4.383 4.493 0.148 4 0 "[ . 1 . 2 ]" 1
168 1 20 GLN HA 1 20 GLN QB 2.310 . 3.310 2.537 2.124 2.635 . 0 0 "[ . 1 . 2 ]" 1
169 1 20 GLN HA 1 21 ARG H 2.500 . 2.500 1.987 1.925 2.048 . 0 0 "[ . 1 . 2 ]" 1
170 1 20 GLN HA 1 22 HIS H 4.062 . 4.062 3.890 3.616 4.132 0.070 8 0 "[ . 1 . 2 ]" 1
171 1 20 GLN QB 1 21 ARG H 3.323 . 4.323 3.298 2.878 3.568 . 0 0 "[ . 1 . 2 ]" 1
172 1 20 GLN QB 1 25 ALA MB 3.191 . 5.191 2.373 2.101 3.910 . 0 0 "[ . 1 . 2 ]" 1
173 1 20 GLN QE 1 94 ILE MG 3.715 . 4.715 2.346 1.991 2.750 . 0 0 "[ . 1 . 2 ]" 1
174 1 20 GLN QE 1 95 GLU H . . 3.447 3.194 2.553 3.273 . 0 0 "[ . 1 . 2 ]" 1
175 1 20 GLN QG 1 22 HIS H 4.449 . 5.449 3.878 3.134 4.901 . 0 0 "[ . 1 . 2 ]" 1
176 1 20 GLN QG 1 25 ALA MB 4.370 . 6.370 2.469 2.118 4.193 . 0 0 "[ . 1 . 2 ]" 1
177 1 21 ARG H 1 21 ARG QB 3.252 . 4.252 2.622 2.501 2.767 . 0 0 "[ . 1 . 2 ]" 1
178 1 21 ARG H 1 21 ARG QD 3.987 . 4.987 3.450 1.765 4.275 0.035 12 0 "[ . 1 . 2 ]" 1
179 1 21 ARG H 1 21 ARG QG 3.197 . 4.197 2.437 2.119 3.306 . 0 0 "[ . 1 . 2 ]" 1
180 1 21 ARG H 1 22 HIS H 3.258 . 3.258 2.867 2.681 3.107 . 0 0 "[ . 1 . 2 ]" 1
181 1 21 ARG HA 1 21 ARG QG 3.473 . 4.473 3.480 3.434 3.622 . 0 0 "[ . 1 . 2 ]" 1
182 1 21 ARG HA 1 22 HIS H 3.669 . 3.669 3.475 3.399 3.511 . 0 0 "[ . 1 . 2 ]" 1
183 1 21 ARG QB 1 22 HIS H 3.499 . 4.499 3.808 3.743 3.906 . 0 0 "[ . 1 . 2 ]" 1
184 1 21 ARG QD 1 22 HIS HE1 3.265 . 4.265 3.411 2.464 3.902 . 0 0 "[ . 1 . 2 ]" 1
185 1 21 ARG QG 1 22 HIS H 3.197 . 4.197 2.848 2.685 3.194 . 0 0 "[ . 1 . 2 ]" 1
186 1 21 ARG QG 1 22 HIS HE1 3.188 . 4.188 3.262 2.670 3.693 . 0 0 "[ . 1 . 2 ]" 1
187 1 22 HIS H 1 22 HIS QB 2.718 . 3.718 2.626 2.540 2.879 . 0 0 "[ . 1 . 2 ]" 1
188 1 22 HIS H 1 22 HIS HD2 4.380 . 4.380 4.405 4.383 4.440 0.060 1 0 "[ . 1 . 2 ]" 1
189 1 22 HIS HA 1 22 HIS HD2 3.369 . 3.369 2.850 2.603 3.277 . 0 0 "[ . 1 . 2 ]" 1
190 1 22 HIS HA 1 23 ASP H 2.310 . 2.310 2.144 2.073 2.196 . 0 0 "[ . 1 . 2 ]" 1
191 1 22 HIS QB 1 23 ASP H 3.063 . 4.063 2.952 2.735 3.361 . 0 0 "[ . 1 . 2 ]" 1
192 1 22 HIS HE1 1 95 GLU HA 4.110 . 4.110 3.958 2.855 4.226 0.116 20 0 "[ . 1 . 2 ]" 1
193 1 22 HIS HE1 1 95 GLU QB 3.181 . 4.181 2.695 2.150 3.535 . 0 0 "[ . 1 . 2 ]" 1
194 1 22 HIS HE1 1 95 GLU QG 3.360 . 4.360 3.130 2.281 3.890 . 0 0 "[ . 1 . 2 ]" 1
195 1 23 ASP H 1 23 ASP QB 3.260 . 4.260 2.561 2.214 2.877 . 0 0 "[ . 1 . 2 ]" 1
196 1 23 ASP H 1 24 GLY H 4.811 . 4.811 4.479 4.268 4.644 . 0 0 "[ . 1 . 2 ]" 1
197 1 23 ASP H 1 25 ALA H 4.903 . 4.903 4.779 4.557 4.984 0.081 5 0 "[ . 1 . 2 ]" 1
198 1 23 ASP HA 1 24 GLY H 2.679 . 2.679 2.126 2.061 2.202 . 0 0 "[ . 1 . 2 ]" 1
199 1 23 ASP HA 1 25 ALA H 3.625 . 3.625 3.610 3.483 3.678 0.053 10 0 "[ . 1 . 2 ]" 1
200 1 23 ASP QB 1 24 GLY H 4.036 . 5.036 3.503 3.108 4.029 . 0 0 "[ . 1 . 2 ]" 1
201 1 23 ASP QB 1 25 ALA H 4.923 . 5.923 5.081 4.860 5.340 . 0 0 "[ . 1 . 2 ]" 1
202 1 24 GLY H 1 25 ALA H 3.139 . 3.139 2.502 2.132 2.837 . 0 0 "[ . 1 . 2 ]" 1
203 1 24 GLY H 1 43 LYS QB 3.963 . 4.963 3.948 2.203 4.557 . 0 0 "[ . 1 . 2 ]" 1
204 1 24 GLY H 1 89 ILE MG 4.507 . 5.507 4.475 4.067 4.676 . 0 0 "[ . 1 . 2 ]" 1
205 1 24 GLY QA 1 25 ALA H 3.643 . 4.643 2.988 2.855 3.059 . 0 0 "[ . 1 . 2 ]" 1
206 1 24 GLY QA 1 42 VAL QG 3.712 . 7.112 2.539 2.218 2.747 . 0 0 "[ . 1 . 2 ]" 1
207 1 24 GLY QA 1 89 ILE MG 4.363 . 6.363 3.294 2.855 3.716 . 0 0 "[ . 1 . 2 ]" 1
208 1 24 GLY O 1 92 ARG H . . 2.500 2.032 1.958 2.163 . 0 0 "[ . 1 . 2 ]" 1
209 1 24 GLY O 1 92 ARG N . 2.500 3.500 3.031 2.969 3.131 . 0 0 "[ . 1 . 2 ]" 1
210 1 25 ALA H 1 25 ALA MB 2.701 . 3.701 2.323 2.272 2.404 . 0 0 "[ . 1 . 2 ]" 1
211 1 25 ALA H 1 42 VAL QG 4.129 . 6.529 4.117 3.756 4.274 . 0 0 "[ . 1 . 2 ]" 1
212 1 25 ALA H 1 43 LYS H 4.457 . 4.457 4.152 3.615 4.495 0.038 22 0 "[ . 1 . 2 ]" 1
213 1 25 ALA H 1 43 LYS QB 3.576 . 4.576 3.167 2.117 4.204 . 0 0 "[ . 1 . 2 ]" 1
214 1 25 ALA HA 1 26 PHE H 2.814 . 2.814 2.155 2.117 2.181 . 0 0 "[ . 1 . 2 ]" 1
215 1 25 ALA HA 1 92 ARG H 3.670 . 3.670 3.707 3.581 3.754 0.084 1 0 "[ . 1 . 2 ]" 1
216 1 25 ALA HA 1 92 ARG QB 2.856 . 3.856 3.166 2.669 3.519 . 0 0 "[ . 1 . 2 ]" 1
217 1 25 ALA MB 1 26 PHE H 3.738 . 4.738 3.350 3.219 3.462 . 0 0 "[ . 1 . 2 ]" 1
218 1 25 ALA MB 1 94 ILE HA 2.926 . 3.926 2.611 2.128 3.022 . 0 0 "[ . 1 . 2 ]" 1
219 1 25 ALA MB 1 94 ILE MG 3.902 . 5.902 2.488 2.151 3.430 . 0 0 "[ . 1 . 2 ]" 1
220 1 25 ALA MB 1 95 GLU H 4.314 . 5.314 3.759 3.084 4.191 . 0 0 "[ . 1 . 2 ]" 1
221 1 25 ALA O 1 43 LYS H . . 2.300 2.084 1.961 2.315 0.015 5 0 "[ . 1 . 2 ]" 1
222 1 25 ALA O 1 43 LYS N . 2.500 3.300 3.028 2.939 3.280 . 0 0 "[ . 1 . 2 ]" 1
223 1 26 PHE H 1 26 PHE HB3 3.900 . 3.900 3.025 2.921 3.142 . 0 0 "[ . 1 . 2 ]" 1
224 1 26 PHE H 1 26 PHE QD 3.768 . 5.768 2.538 2.302 2.763 . 0 0 "[ . 1 . 2 ]" 1
225 1 26 PHE H 1 92 ARG H 4.418 . 4.418 4.021 3.750 4.256 . 0 0 "[ . 1 . 2 ]" 1
226 1 26 PHE H 1 92 ARG O . . 2.500 2.505 2.195 2.556 0.056 21 0 "[ . 1 . 2 ]" 1
227 1 26 PHE H 1 93 ASP HA 3.731 . 3.731 3.735 3.525 3.855 0.124 11 0 "[ . 1 . 2 ]" 1
228 1 26 PHE HA 1 27 LEU H 3.044 . 3.044 2.210 2.139 2.320 . 0 0 "[ . 1 . 2 ]" 1
229 1 26 PHE HA 1 42 VAL HA 2.332 . 2.332 2.376 2.298 2.422 0.090 7 0 "[ . 1 . 2 ]" 1
230 1 26 PHE HA 1 42 VAL QG 4.385 . 6.785 3.523 3.357 3.692 . 0 0 "[ . 1 . 2 ]" 1
231 1 26 PHE HA 1 43 LYS H 3.859 . 3.859 3.038 2.836 3.501 . 0 0 "[ . 1 . 2 ]" 1
232 1 26 PHE HB2 1 27 LEU H 3.407 . 3.407 2.536 2.388 2.679 . 0 0 "[ . 1 . 2 ]" 1
233 1 26 PHE HB2 1 40 LEU QD 4.021 . 6.421 2.689 2.273 3.141 . 0 0 "[ . 1 . 2 ]" 1
234 1 26 PHE HB2 1 42 VAL QG 5.000 . 7.400 2.747 2.243 3.221 . 0 0 "[ . 1 . 2 ]" 1
235 1 26 PHE HB2 1 43 LYS H 4.282 . 4.282 4.344 4.290 4.417 0.135 4 0 "[ . 1 . 2 ]" 1
236 1 26 PHE HB2 1 91 LEU QD 3.682 . 6.082 3.998 3.027 4.387 . 0 0 "[ . 1 . 2 ]" 1
237 1 26 PHE HB3 1 40 LEU QD 3.896 . 6.296 3.519 3.090 3.930 . 0 0 "[ . 1 . 2 ]" 1
238 1 26 PHE HB3 1 42 VAL HA 2.419 . 2.419 2.472 2.337 2.506 0.087 20 0 "[ . 1 . 2 ]" 1
239 1 26 PHE HB3 1 42 VAL QG 3.652 . 6.052 2.077 1.987 2.208 . 0 0 "[ . 1 . 2 ]" 1
240 1 26 PHE HB3 1 91 LEU QD 3.837 . 6.237 3.751 2.339 4.153 . 0 0 "[ . 1 . 2 ]" 1
241 1 26 PHE QD 1 92 ARG H 3.915 . 5.915 2.521 2.313 2.859 . 0 0 "[ . 1 . 2 ]" 1
242 1 26 PHE N 1 92 ARG O . 2.500 3.500 3.455 3.205 3.531 0.031 6 0 "[ . 1 . 2 ]" 1
243 1 27 LEU H 1 27 LEU QD 3.214 . 5.614 3.550 3.366 3.694 . 0 0 "[ . 1 . 2 ]" 1
244 1 27 LEU H 1 27 LEU HG 3.348 . 3.348 2.914 2.751 3.044 . 0 0 "[ . 1 . 2 ]" 1
245 1 27 LEU H 1 41 SER H 4.233 . 4.233 3.477 3.040 3.791 . 0 0 "[ . 1 . 2 ]" 1
246 1 27 LEU H 1 41 SER HB2 4.490 . 4.490 3.106 2.902 3.478 . 0 0 "[ . 1 . 2 ]" 1
247 1 27 LEU H 1 41 SER O . . 2.300 2.091 1.960 2.329 0.029 21 0 "[ . 1 . 2 ]" 1
248 1 27 LEU H 1 42 VAL HA 3.987 . 3.987 3.679 3.489 3.814 . 0 0 "[ . 1 . 2 ]" 1
249 1 27 LEU H 1 42 VAL QG 3.814 . 6.214 4.398 3.986 4.692 . 0 0 "[ . 1 . 2 ]" 1
250 1 27 LEU HA 1 28 ILE H 2.751 . 2.751 2.192 2.129 2.328 . 0 0 "[ . 1 . 2 ]" 1
251 1 27 LEU QB 1 28 ILE H 3.339 . 4.339 3.037 2.528 3.298 . 0 0 "[ . 1 . 2 ]" 1
252 1 27 LEU QD 1 29 ARG H 4.127 . 6.527 3.126 2.767 3.467 . 0 0 "[ . 1 . 2 ]" 1
253 1 27 LEU QD 1 29 ARG QD 3.918 . 7.318 3.158 2.405 3.817 . 0 0 "[ . 1 . 2 ]" 1
254 1 27 LEU QD 1 41 SER HB2 3.284 . 5.684 2.755 2.247 3.055 . 0 0 "[ . 1 . 2 ]" 1
255 1 27 LEU QD 1 41 SER HB3 2.829 . 5.229 3.723 3.472 3.900 . 0 0 "[ . 1 . 2 ]" 1
256 1 27 LEU HG 1 41 SER HB2 2.756 . 2.756 2.633 2.415 2.771 0.015 7 0 "[ . 1 . 2 ]" 1
257 1 27 LEU HG 1 41 SER HB3 5.000 . 5.000 3.973 3.813 4.133 . 0 0 "[ . 1 . 2 ]" 1
258 1 27 LEU N 1 41 SER O . 2.500 3.300 3.085 2.976 3.278 . 0 0 "[ . 1 . 2 ]" 1
259 1 27 LEU O 1 41 SER H . . 2.300 2.149 1.996 2.318 0.018 17 0 "[ . 1 . 2 ]" 1
260 1 27 LEU O 1 41 SER N . 2.500 3.300 3.060 2.948 3.191 . 0 0 "[ . 1 . 2 ]" 1
261 1 28 ILE H 1 28 ILE HB 3.494 . 3.494 2.551 2.416 2.879 . 0 0 "[ . 1 . 2 ]" 1
262 1 28 ILE H 1 28 ILE MD 3.508 . 4.508 3.341 2.310 3.784 . 0 0 "[ . 1 . 2 ]" 1
263 1 28 ILE HA 1 28 ILE MD 4.163 . 5.163 3.672 2.821 3.936 . 0 0 "[ . 1 . 2 ]" 1
264 1 28 ILE HA 1 28 ILE QG 3.504 . 4.504 2.389 2.259 2.515 . 0 0 "[ . 1 . 2 ]" 1
265 1 28 ILE HA 1 29 ARG H 2.785 . 2.785 2.086 2.024 2.137 . 0 0 "[ . 1 . 2 ]" 1
266 1 28 ILE HA 1 40 LEU HA 2.339 . 2.339 2.438 2.389 2.507 0.168 9 0 "[ . 1 . 2 ]" 1
267 1 28 ILE HA 1 41 SER H 3.973 . 3.973 2.945 2.638 3.224 . 0 0 "[ . 1 . 2 ]" 1
268 1 28 ILE HB 1 29 ARG H 4.811 . 4.811 4.408 4.231 4.520 . 0 0 "[ . 1 . 2 ]" 1
269 1 28 ILE HB 1 71 LEU QD 5.000 . 7.400 3.372 2.549 4.318 . 0 0 "[ . 1 . 2 ]" 1
270 1 28 ILE MD 1 28 ILE MG 2.994 . 4.994 2.542 2.118 3.330 . 0 0 "[ . 1 . 2 ]" 1
271 1 28 ILE MD 1 40 LEU HA 3.809 . 4.809 3.983 3.193 4.102 . 0 0 "[ . 1 . 2 ]" 1
272 1 28 ILE MD 1 71 LEU QD 3.476 . 6.876 2.633 1.953 4.006 . 0 0 "[ . 1 . 2 ]" 1
273 1 28 ILE MD 1 75 VAL QG 3.402 . 6.802 2.285 1.951 4.022 . 0 0 "[ . 1 . 2 ]" 1
274 1 28 ILE QG 1 40 LEU HA 2.979 . 3.979 2.453 2.287 2.977 . 0 0 "[ . 1 . 2 ]" 1
275 1 28 ILE QG 1 40 LEU QD 3.911 . 7.311 2.082 1.963 2.932 . 0 0 "[ . 1 . 2 ]" 1
276 1 28 ILE MG 1 29 ARG H 3.249 . 4.249 3.105 2.766 3.337 . 0 0 "[ . 1 . 2 ]" 1
277 1 28 ILE MG 1 38 PHE HB2 3.500 . 4.500 3.559 3.046 3.772 . 0 0 "[ . 1 . 2 ]" 1
278 1 28 ILE MG 1 38 PHE HB3 3.643 . 4.643 2.335 2.052 2.513 . 0 0 "[ . 1 . 2 ]" 1
279 1 28 ILE MG 1 38 PHE QD 3.719 . 6.719 2.418 2.192 2.898 . 0 0 "[ . 1 . 2 ]" 1
280 1 28 ILE MG 1 39 SER H 3.576 . 4.576 2.967 2.521 3.427 . 0 0 "[ . 1 . 2 ]" 1
281 1 28 ILE MG 1 71 LEU QD 3.809 . 7.209 2.111 1.934 2.473 . 0 0 "[ . 1 . 2 ]" 1
282 1 29 ARG H 1 29 ARG QG 3.686 . 4.686 2.446 2.158 4.060 . 0 0 "[ . 1 . 2 ]" 1
283 1 29 ARG H 1 38 PHE HB3 5.000 . 5.000 4.892 4.596 5.023 0.023 21 0 "[ . 1 . 2 ]" 1
284 1 29 ARG H 1 39 SER H 4.087 . 4.087 3.501 2.954 3.738 . 0 0 "[ . 1 . 2 ]" 1
285 1 29 ARG H 1 39 SER HB2 5.000 . 5.000 3.982 3.736 4.205 . 0 0 "[ . 1 . 2 ]" 1
286 1 29 ARG H 1 39 SER O . . 2.300 2.158 1.935 2.256 . 0 0 "[ . 1 . 2 ]" 1
287 1 29 ARG H 1 40 LEU HA 4.245 . 4.245 3.723 3.359 3.890 . 0 0 "[ . 1 . 2 ]" 1
288 1 29 ARG HA 1 29 ARG QB 2.266 . 3.266 2.193 2.144 2.423 . 0 0 "[ . 1 . 2 ]" 1
289 1 29 ARG HA 1 30 GLU H 2.949 . 2.949 2.245 2.168 2.347 . 0 0 "[ . 1 . 2 ]" 1
290 1 29 ARG QB 1 30 GLU H 3.584 . 4.584 2.846 2.294 3.897 . 0 0 "[ . 1 . 2 ]" 1
291 1 29 ARG QG 1 39 SER H 4.266 . 5.266 3.692 3.170 4.537 . 0 0 "[ . 1 . 2 ]" 1
292 1 29 ARG N 1 39 SER O . 2.500 3.300 3.131 2.945 3.220 . 0 0 "[ . 1 . 2 ]" 1
293 1 29 ARG O 1 39 SER H . . 2.300 2.096 1.926 2.324 0.024 8 0 "[ . 1 . 2 ]" 1
294 1 29 ARG O 1 39 SER N . 2.500 3.300 2.978 2.895 3.291 . 0 0 "[ . 1 . 2 ]" 1
295 1 30 GLU H 1 30 GLU QB 3.037 . 4.037 2.441 2.341 2.703 . 0 0 "[ . 1 . 2 ]" 1
296 1 30 GLU H 1 30 GLU QG 4.402 . 5.402 4.181 4.129 4.297 . 0 0 "[ . 1 . 2 ]" 1
297 1 30 GLU HA 1 31 SER H 2.522 . 2.522 2.162 2.113 2.254 . 0 0 "[ . 1 . 2 ]" 1
298 1 30 GLU HA 1 38 PHE HA 2.466 . 2.466 2.317 2.119 2.485 0.019 18 0 "[ . 1 . 2 ]" 1
299 1 30 GLU HA 1 38 PHE QD 3.820 . 5.820 2.668 2.237 3.490 . 0 0 "[ . 1 . 2 ]" 1
300 1 30 GLU HA 1 39 SER H 3.764 . 3.764 3.576 3.169 3.797 0.033 18 0 "[ . 1 . 2 ]" 1
301 1 30 GLU QB 1 31 SER H 3.907 . 4.907 3.738 3.582 3.941 . 0 0 "[ . 1 . 2 ]" 1
302 1 30 GLU QG 1 31 SER H 3.847 . 4.847 2.753 2.453 3.327 . 0 0 "[ . 1 . 2 ]" 1
303 1 30 GLU QG 1 37 ASP H 3.965 . 4.965 3.723 2.481 4.485 . 0 0 "[ . 1 . 2 ]" 1
304 1 30 GLU QG 1 38 PHE QD 2.706 . 5.706 3.285 2.299 3.831 . 0 0 "[ . 1 . 2 ]" 1
305 1 30 GLU QG 1 38 PHE QE 2.902 . 5.902 3.140 2.543 3.761 . 0 0 "[ . 1 . 2 ]" 1
306 1 31 SER H 1 31 SER QB 3.065 . 4.065 2.490 2.245 2.690 . 0 0 "[ . 1 . 2 ]" 1
307 1 31 SER H 1 37 ASP QB 3.992 . 4.992 4.149 3.566 4.525 . 0 0 "[ . 1 . 2 ]" 1
308 1 31 SER H 1 38 PHE HA 3.265 . 3.265 2.601 2.193 3.128 . 0 0 "[ . 1 . 2 ]" 1
309 1 31 SER HA 1 32 GLU H 2.992 . 2.992 2.210 2.097 3.120 0.128 9 0 "[ . 1 . 2 ]" 1
310 1 31 SER QB 1 34 ALA H 3.475 . 4.475 3.064 2.539 3.805 . 0 0 "[ . 1 . 2 ]" 1
311 1 31 SER QB 1 34 ALA MB 3.718 . 5.718 2.877 2.253 3.711 . 0 0 "[ . 1 . 2 ]" 1
312 1 31 SER QB 1 37 ASP QB 4.165 . 6.165 2.691 2.295 3.657 . 0 0 "[ . 1 . 2 ]" 1
313 1 32 GLU H 1 32 GLU QG 3.977 . 4.977 3.067 2.164 4.160 . 0 0 "[ . 1 . 2 ]" 1
314 1 32 GLU H 1 33 SER H 3.913 . 3.913 3.244 2.698 4.170 0.257 2 0 "[ . 1 . 2 ]" 1
315 1 32 GLU H 1 34 ALA H 4.499 . 4.499 4.262 4.024 4.548 0.049 5 0 "[ . 1 . 2 ]" 1
316 1 32 GLU HA 1 33 SER H 3.928 . 3.928 3.313 1.836 3.620 . 0 0 "[ . 1 . 2 ]" 1
317 1 32 GLU QB 1 33 SER H 3.495 . 4.495 2.672 2.114 3.588 . 0 0 "[ . 1 . 2 ]" 1
318 1 32 GLU QB 1 34 ALA H 4.292 . 5.292 4.757 4.206 4.947 . 0 0 "[ . 1 . 2 ]" 1
319 1 33 SER H 1 34 ALA H 3.197 . 3.197 2.708 1.836 2.897 . 0 0 "[ . 1 . 2 ]" 1
320 1 33 SER HA 1 33 SER QB 2.528 . 3.528 2.355 2.183 2.434 . 0 0 "[ . 1 . 2 ]" 1
321 1 33 SER HA 1 34 ALA H 4.188 . 4.188 3.528 2.591 3.609 . 0 0 "[ . 1 . 2 ]" 1
322 1 33 SER QB 1 34 ALA H 4.226 . 5.226 3.148 2.717 4.136 . 0 0 "[ . 1 . 2 ]" 1
323 1 34 ALA H 1 34 ALA MB 2.780 . 3.780 2.571 2.362 2.979 . 0 0 "[ . 1 . 2 ]" 1
324 1 34 ALA H 1 35 PRO QD 3.705 . 4.705 3.732 3.358 4.232 . 0 0 "[ . 1 . 2 ]" 1
325 1 34 ALA H 1 37 ASP QB 4.071 . 5.071 4.364 4.270 4.475 . 0 0 "[ . 1 . 2 ]" 1
326 1 34 ALA HA 1 35 PRO QD 2.357 . 3.357 2.190 2.124 2.313 . 0 0 "[ . 1 . 2 ]" 1
327 1 34 ALA MB 1 35 PRO QD 3.908 . 5.908 3.527 3.251 3.643 . 0 0 "[ . 1 . 2 ]" 1
328 1 34 ALA MB 1 37 ASP H 3.880 . 4.880 3.668 3.093 3.954 . 0 0 "[ . 1 . 2 ]" 1
329 1 34 ALA MB 1 37 ASP QB 3.225 . 5.225 2.177 2.043 2.515 . 0 0 "[ . 1 . 2 ]" 1
330 1 35 PRO HA 1 36 GLY H 3.306 . 3.306 2.774 2.075 3.429 0.123 24 0 "[ . 1 . 2 ]" 1
331 1 35 PRO HA 1 37 ASP H 3.536 . 3.536 3.583 3.550 3.638 0.102 20 0 "[ . 1 . 2 ]" 1
332 1 36 GLY H 1 37 ASP H 3.348 . 3.348 2.947 2.580 3.151 . 0 0 "[ . 1 . 2 ]" 1
333 1 36 GLY QA 1 37 ASP H 3.658 . 4.658 2.816 2.718 2.990 . 0 0 "[ . 1 . 2 ]" 1
334 1 37 ASP H 1 37 ASP HA 3.139 . 3.139 3.028 2.987 3.090 . 0 0 "[ . 1 . 2 ]" 1
335 1 37 ASP H 1 37 ASP QB 2.430 . 3.430 2.613 2.352 2.916 . 0 0 "[ . 1 . 2 ]" 1
336 1 37 ASP HA 1 38 PHE H 2.406 . 2.406 2.162 2.112 2.229 . 0 0 "[ . 1 . 2 ]" 1
337 1 38 PHE H 1 38 PHE HB3 3.670 . 3.670 3.715 3.689 3.762 0.092 11 0 "[ . 1 . 2 ]" 1
338 1 38 PHE H 1 38 PHE QD 4.015 . 6.015 2.980 2.513 3.380 . 0 0 "[ . 1 . 2 ]" 1
339 1 38 PHE H 1 53 VAL H 4.852 . 4.852 4.308 3.869 4.748 . 0 0 "[ . 1 . 2 ]" 1
340 1 38 PHE H 1 53 VAL HB 3.614 . 3.614 3.303 2.870 3.638 0.024 3 0 "[ . 1 . 2 ]" 1
341 1 38 PHE H 1 53 VAL QG 3.943 . 6.343 3.517 3.039 3.868 . 0 0 "[ . 1 . 2 ]" 1
342 1 38 PHE H 1 54 LEU HA 4.441 . 4.441 4.304 3.472 4.498 0.057 8 0 "[ . 1 . 2 ]" 1
343 1 38 PHE HA 1 38 PHE QD 2.803 . 4.803 2.829 2.370 3.202 . 0 0 "[ . 1 . 2 ]" 1
344 1 38 PHE HA 1 39 SER H 2.871 . 2.871 2.378 2.267 2.465 . 0 0 "[ . 1 . 2 ]" 1
345 1 38 PHE HB2 1 39 SER H 4.298 . 4.298 3.674 3.558 4.041 . 0 0 "[ . 1 . 2 ]" 1
346 1 38 PHE HB2 1 53 VAL HB 4.068 . 4.068 2.280 2.141 2.600 . 0 0 "[ . 1 . 2 ]" 1
347 1 38 PHE HB2 1 53 VAL QG 3.768 . 6.168 2.584 2.470 2.844 . 0 0 "[ . 1 . 2 ]" 1
348 1 38 PHE HB3 1 39 SER H 3.574 . 3.574 2.392 2.219 2.883 . 0 0 "[ . 1 . 2 ]" 1
349 1 38 PHE QD 1 39 SER H 4.641 . 6.641 3.582 2.969 4.273 . 0 0 "[ . 1 . 2 ]" 1
350 1 38 PHE O 1 53 VAL H . . 2.300 2.141 1.972 2.300 0.000 2 0 "[ . 1 . 2 ]" 1
351 1 38 PHE O 1 53 VAL N . 2.500 3.300 3.005 2.924 3.068 . 0 0 "[ . 1 . 2 ]" 1
352 1 39 SER H 1 39 SER HB2 3.814 . 3.814 2.980 2.875 3.076 . 0 0 "[ . 1 . 2 ]" 1
353 1 39 SER H 1 39 SER HB3 4.279 . 4.279 4.018 3.958 4.070 . 0 0 "[ . 1 . 2 ]" 1
354 1 39 SER H 1 53 VAL QG 4.295 . 6.695 3.989 3.590 4.499 . 0 0 "[ . 1 . 2 ]" 1
355 1 39 SER HA 1 52 LYS HA 2.543 . 2.543 2.529 2.240 2.615 0.072 24 0 "[ . 1 . 2 ]" 1
356 1 39 SER HA 1 53 VAL H 3.606 . 3.606 2.412 2.096 2.764 . 0 0 "[ . 1 . 2 ]" 1
357 1 39 SER HA 1 53 VAL HB 3.809 . 3.809 3.719 3.343 3.845 0.036 15 0 "[ . 1 . 2 ]" 1
358 1 39 SER HA 1 53 VAL QG 3.826 . 6.226 3.060 2.504 3.495 . 0 0 "[ . 1 . 2 ]" 1
359 1 39 SER HB2 1 40 LEU H 4.766 . 4.766 4.379 4.312 4.456 . 0 0 "[ . 1 . 2 ]" 1
360 1 39 SER HB3 1 40 LEU H 4.150 . 4.150 3.564 3.377 3.734 . 0 0 "[ . 1 . 2 ]" 1
361 1 40 LEU H 1 40 LEU HB2 3.470 . 3.470 2.744 2.675 2.822 . 0 0 "[ . 1 . 2 ]" 1
362 1 40 LEU H 1 40 LEU HB3 3.420 . 3.420 2.381 2.275 2.446 . 0 0 "[ . 1 . 2 ]" 1
363 1 40 LEU H 1 40 LEU QD 3.699 . 6.099 3.881 3.808 3.935 . 0 0 "[ . 1 . 2 ]" 1
364 1 40 LEU H 1 51 PHE H 4.328 . 4.328 3.748 3.270 4.327 . 0 0 "[ . 1 . 2 ]" 1
365 1 40 LEU H 1 51 PHE HB2 4.030 . 4.030 3.862 3.545 4.063 0.033 2 0 "[ . 1 . 2 ]" 1
366 1 40 LEU H 1 51 PHE O . . 2.300 2.097 2.003 2.301 0.001 18 0 "[ . 1 . 2 ]" 1
367 1 40 LEU H 1 52 LYS HA 4.032 . 4.032 3.693 3.221 3.920 . 0 0 "[ . 1 . 2 ]" 1
368 1 40 LEU HA 1 40 LEU QD 3.510 . 5.910 2.359 2.298 2.432 . 0 0 "[ . 1 . 2 ]" 1
369 1 40 LEU HA 1 40 LEU HG 3.034 . 3.034 3.106 3.069 3.142 0.108 19 0 "[ . 1 . 2 ]" 1
370 1 40 LEU HA 1 41 SER H 2.590 . 2.590 2.078 2.050 2.099 . 0 0 "[ . 1 . 2 ]" 1
371 1 40 LEU HB2 1 41 SER H 4.314 . 4.314 4.361 4.331 4.384 0.070 24 0 "[ . 1 . 2 ]" 1
372 1 40 LEU HB2 1 53 VAL QG 4.188 . 6.588 2.445 2.108 2.927 . 0 0 "[ . 1 . 2 ]" 1
373 1 40 LEU HB3 1 41 SER H 4.421 . 4.421 4.410 4.292 4.442 0.021 3 0 "[ . 1 . 2 ]" 1
374 1 40 LEU HB3 1 51 PHE H 4.630 . 4.630 3.552 3.278 3.993 . 0 0 "[ . 1 . 2 ]" 1
375 1 40 LEU HB3 1 51 PHE HB2 3.733 . 3.733 2.612 2.352 3.002 . 0 0 "[ . 1 . 2 ]" 1
376 1 40 LEU HB3 1 53 VAL QG 5.000 . 7.400 2.915 2.455 3.412 . 0 0 "[ . 1 . 2 ]" 1
377 1 40 LEU QD 1 41 SER H 3.509 . 5.909 3.128 2.926 3.397 . 0 0 "[ . 1 . 2 ]" 1
378 1 40 LEU QD 1 42 VAL HB 4.294 . 6.694 3.487 2.393 4.511 . 0 0 "[ . 1 . 2 ]" 1
379 1 40 LEU QD 1 51 PHE H 4.380 . 6.780 4.246 3.978 4.574 . 0 0 "[ . 1 . 2 ]" 1
380 1 40 LEU QD 1 51 PHE HB2 3.921 . 6.321 2.869 2.320 3.414 . 0 0 "[ . 1 . 2 ]" 1
381 1 40 LEU QD 1 63 LEU QD 3.387 . 8.187 2.258 1.957 3.245 . 0 0 "[ . 1 . 2 ]" 1
382 1 40 LEU QD 1 83 VAL QG 3.022 . 7.822 2.141 1.836 2.705 . 0 0 "[ . 1 . 2 ]" 1
383 1 40 LEU QD 1 91 LEU QD 5.611 . 10.411 1.964 1.824 2.191 . 0 0 "[ . 1 . 2 ]" 1
384 1 40 LEU HG 1 41 SER H 3.871 . 3.871 3.582 3.215 3.745 . 0 0 "[ . 1 . 2 ]" 1
385 1 40 LEU HG 1 51 PHE H 4.684 . 4.684 4.424 4.121 4.694 0.010 21 0 "[ . 1 . 2 ]" 1
386 1 40 LEU N 1 51 PHE O . 2.500 3.300 2.997 2.918 3.075 . 0 0 "[ . 1 . 2 ]" 1
387 1 40 LEU O 1 51 PHE H . . 2.300 2.039 1.958 2.176 . 0 0 "[ . 1 . 2 ]" 1
388 1 40 LEU O 1 51 PHE N . 2.500 3.300 3.025 2.965 3.106 . 0 0 "[ . 1 . 2 ]" 1
389 1 41 SER H 1 41 SER HB2 3.765 . 3.765 2.762 2.599 2.898 . 0 0 "[ . 1 . 2 ]" 1
390 1 41 SER H 1 41 SER HB3 4.024 . 4.024 3.806 3.754 3.853 . 0 0 "[ . 1 . 2 ]" 1
391 1 41 SER HA 1 41 SER HB2 2.926 . 2.926 3.039 3.030 3.047 0.121 8 0 "[ . 1 . 2 ]" 1
392 1 41 SER HA 1 41 SER HB3 2.613 . 2.613 2.394 2.353 2.446 . 0 0 "[ . 1 . 2 ]" 1
393 1 41 SER HA 1 42 VAL H 2.696 . 2.696 2.290 2.246 2.352 . 0 0 "[ . 1 . 2 ]" 1
394 1 41 SER HA 1 48 VAL QG 3.042 . 5.442 3.193 2.932 3.406 . 0 0 "[ . 1 . 2 ]" 1
395 1 41 SER HA 1 50 HIS HA 2.414 . 2.414 2.435 2.207 2.506 0.092 22 0 "[ . 1 . 2 ]" 1
396 1 41 SER HA 1 50 HIS HD2 3.683 . 3.683 3.748 3.731 3.767 0.084 22 0 "[ . 1 . 2 ]" 1
397 1 41 SER HA 1 51 PHE H 4.615 . 4.615 3.748 3.433 3.941 . 0 0 "[ . 1 . 2 ]" 1
398 1 41 SER HB2 1 48 VAL QG 3.489 . 5.889 3.611 3.403 4.016 . 0 0 "[ . 1 . 2 ]" 1
399 1 41 SER HB2 1 50 HIS HE1 4.155 . 4.155 4.069 3.981 4.165 0.010 18 0 "[ . 1 . 2 ]" 1
400 1 41 SER HB3 1 42 VAL H 4.305 . 4.305 3.996 3.733 4.202 . 0 0 "[ . 1 . 2 ]" 1
401 1 41 SER HB3 1 48 VAL QG 3.768 . 6.168 2.565 2.351 2.910 . 0 0 "[ . 1 . 2 ]" 1
402 1 41 SER HB3 1 50 HIS HE1 2.868 . 2.868 2.931 2.913 2.951 0.083 22 0 "[ . 1 . 2 ]" 1
403 1 42 VAL H 1 42 VAL HB 3.721 . 3.721 3.075 2.803 3.417 . 0 0 "[ . 1 . 2 ]" 1
404 1 42 VAL H 1 42 VAL QG 3.167 . 5.567 2.460 2.176 2.846 . 0 0 "[ . 1 . 2 ]" 1
405 1 42 VAL H 1 48 VAL QG 3.319 . 5.719 3.274 2.926 3.706 . 0 0 "[ . 1 . 2 ]" 1
406 1 42 VAL H 1 49 GLN H 3.798 . 3.798 3.429 2.893 3.833 0.035 23 0 "[ . 1 . 2 ]" 1
407 1 42 VAL H 1 49 GLN QB 4.353 . 5.353 4.005 3.537 4.896 . 0 0 "[ . 1 . 2 ]" 1
408 1 42 VAL H 1 49 GLN O . . 2.300 2.144 2.030 2.309 0.009 20 0 "[ . 1 . 2 ]" 1
409 1 42 VAL H 1 50 HIS HA 4.600 . 4.600 3.501 3.150 3.753 . 0 0 "[ . 1 . 2 ]" 1
410 1 42 VAL H 1 50 HIS HD2 5.000 . 5.000 4.618 4.327 5.012 0.012 12 0 "[ . 1 . 2 ]" 1
411 1 42 VAL HA 1 43 LYS H 2.785 . 2.785 2.071 2.008 2.135 . 0 0 "[ . 1 . 2 ]" 1
412 1 42 VAL HB 1 43 LYS H 4.137 . 4.137 4.131 4.022 4.177 0.040 22 0 "[ . 1 . 2 ]" 1
413 1 42 VAL QG 1 43 LYS H 3.097 . 5.497 2.779 2.474 2.940 . 0 0 "[ . 1 . 2 ]" 1
414 1 42 VAL QG 1 44 PHE QB 4.602 . 8.002 3.214 2.388 4.812 . 0 0 "[ . 1 . 2 ]" 1
415 1 42 VAL QG 1 44 PHE QD 3.837 . 8.237 3.313 2.226 4.532 . 0 0 "[ . 1 . 2 ]" 1
416 1 42 VAL QG 1 83 VAL QG 3.705 . 8.505 2.421 2.043 2.898 . 0 0 "[ . 1 . 2 ]" 1
417 1 42 VAL QG 1 89 ILE MG 3.946 . 7.346 2.346 1.834 4.324 . 0 0 "[ . 1 . 2 ]" 1
418 1 42 VAL QG 1 91 LEU QD 3.396 . 8.196 2.273 1.898 2.827 . 0 0 "[ . 1 . 2 ]" 1
419 1 42 VAL N 1 49 GLN O . 2.500 3.300 3.131 3.040 3.302 0.002 20 0 "[ . 1 . 2 ]" 1
420 1 42 VAL O 1 49 GLN H . . 2.300 2.020 1.905 2.176 . 0 0 "[ . 1 . 2 ]" 1
421 1 42 VAL O 1 49 GLN N . 2.500 3.300 2.986 2.926 3.094 . 0 0 "[ . 1 . 2 ]" 1
422 1 43 LYS H 1 43 LYS QB 3.088 . 4.088 2.374 2.278 2.582 . 0 0 "[ . 1 . 2 ]" 1
423 1 43 LYS HA 1 44 PHE H 2.310 . 2.310 2.196 2.112 2.275 . 0 0 "[ . 1 . 2 ]" 1
424 1 43 LYS HA 1 48 VAL QG 2.092 . 4.492 2.754 2.244 3.100 . 0 0 "[ . 1 . 2 ]" 1
425 1 43 LYS QB 1 44 PHE H 3.606 . 4.606 3.807 2.958 4.064 . 0 0 "[ . 1 . 2 ]" 1
426 1 44 PHE H 1 44 PHE QB 3.182 . 4.182 2.751 2.383 3.066 . 0 0 "[ . 1 . 2 ]" 1
427 1 44 PHE H 1 44 PHE QD 4.134 . 6.134 4.355 3.113 4.729 . 0 0 "[ . 1 . 2 ]" 1
428 1 44 PHE H 1 47 ASP H 3.866 . 3.866 3.607 2.865 3.918 0.052 6 0 "[ . 1 . 2 ]" 1
429 1 44 PHE H 1 47 ASP QB 4.257 . 5.257 4.459 3.984 4.752 . 0 0 "[ . 1 . 2 ]" 1
430 1 44 PHE H 1 47 ASP O . . 2.300 2.234 1.953 2.335 0.035 7 0 "[ . 1 . 2 ]" 1
431 1 44 PHE HA 1 44 PHE QD 3.470 . 5.470 2.812 2.177 3.161 . 0 0 "[ . 1 . 2 ]" 1
432 1 44 PHE HA 1 45 GLY H 2.735 . 2.735 2.199 2.086 2.904 0.169 2 0 "[ . 1 . 2 ]" 1
433 1 44 PHE QB 1 49 GLN QG 4.563 . 6.563 4.165 2.834 5.169 . 0 0 "[ . 1 . 2 ]" 1
434 1 44 PHE QB 1 89 ILE MD 4.118 . 6.118 3.279 2.051 4.523 . 0 0 "[ . 1 . 2 ]" 1
435 1 44 PHE QB 1 89 ILE MG 3.660 . 5.660 2.541 2.117 3.990 . 0 0 "[ . 1 . 2 ]" 1
436 1 44 PHE QD 1 45 GLY H 4.177 . 6.177 3.997 3.021 4.482 . 0 0 "[ . 1 . 2 ]" 1
437 1 44 PHE QD 1 49 GLN QG 5.000 . 8.000 5.403 2.891 6.484 . 0 0 "[ . 1 . 2 ]" 1
438 1 44 PHE QD 1 89 ILE MD 3.678 . 6.678 3.664 2.693 4.633 . 0 0 "[ . 1 . 2 ]" 1
439 1 44 PHE QD 1 89 ILE MG 4.255 . 7.255 2.650 2.287 3.369 . 0 0 "[ . 1 . 2 ]" 1
440 1 44 PHE QD 1 90 PHE H 4.190 . 6.190 3.664 2.494 5.775 . 0 0 "[ . 1 . 2 ]" 1
441 1 44 PHE N 1 47 ASP O . 2.500 3.300 3.184 2.975 3.325 0.025 21 0 "[ . 1 . 2 ]" 1
442 1 45 GLY QA 1 46 ASN H 3.147 . 4.147 2.259 2.098 2.467 . 0 0 "[ . 1 . 2 ]" 1
443 1 45 GLY QA 1 47 ASP H 3.952 . 4.952 3.944 3.678 4.393 . 0 0 "[ . 1 . 2 ]" 1
444 1 46 ASN H 1 46 ASN QB 3.598 . 4.598 3.121 2.740 3.635 . 0 0 "[ . 1 . 2 ]" 1
445 1 46 ASN H 1 47 ASP H 3.643 . 3.643 2.644 1.787 3.527 0.013 5 0 "[ . 1 . 2 ]" 1
446 1 46 ASN HA 1 47 ASP H 3.277 . 3.277 3.065 2.456 3.440 0.163 15 0 "[ . 1 . 2 ]" 1
447 1 46 ASN QB 1 46 ASN HD22 3.358 . 4.358 3.378 3.343 3.404 . 0 0 "[ . 1 . 2 ]" 1
448 1 46 ASN QB 1 47 ASP H 3.915 . 4.915 3.646 2.699 4.139 . 0 0 "[ . 1 . 2 ]" 1
449 1 47 ASP HA 1 48 VAL H 2.310 . 2.310 2.141 2.088 2.220 . 0 0 "[ . 1 . 2 ]" 1
450 1 47 ASP QB 1 48 VAL H 2.310 . 3.310 2.838 2.756 2.950 . 0 0 "[ . 1 . 2 ]" 1
451 1 48 VAL H 1 48 VAL HB 2.657 . 2.657 2.691 2.638 2.714 0.057 2 0 "[ . 1 . 2 ]" 1
452 1 48 VAL H 1 48 VAL QG 2.737 . 5.137 2.620 2.296 2.829 . 0 0 "[ . 1 . 2 ]" 1
453 1 48 VAL HA 1 48 VAL QG 2.626 . 5.026 2.217 2.197 2.261 . 0 0 "[ . 1 . 2 ]" 1
454 1 48 VAL HA 1 49 GLN H 2.310 . 2.310 2.109 2.068 2.198 . 0 0 "[ . 1 . 2 ]" 1
455 1 48 VAL QG 1 49 GLN H 2.781 . 5.181 3.018 2.355 3.174 . 0 0 "[ . 1 . 2 ]" 1
456 1 48 VAL QG 1 50 HIS HE1 4.415 . 6.815 3.866 3.449 4.064 . 0 0 "[ . 1 . 2 ]" 1
457 1 49 GLN H 1 49 GLN QB 3.173 . 4.173 2.495 2.178 2.909 . 0 0 "[ . 1 . 2 ]" 1
458 1 49 GLN H 1 49 GLN QG 3.132 . 4.132 3.000 2.242 3.890 . 0 0 "[ . 1 . 2 ]" 1
459 1 49 GLN HA 1 49 GLN QG 2.362 . 3.362 2.452 2.297 3.296 . 0 0 "[ . 1 . 2 ]" 1
460 1 49 GLN HA 1 50 HIS H 2.310 . 2.310 2.084 2.052 2.147 . 0 0 "[ . 1 . 2 ]" 1
461 1 49 GLN QB 1 50 HIS H 3.385 . 4.385 3.390 3.081 3.993 . 0 0 "[ . 1 . 2 ]" 1
462 1 49 GLN QG 1 50 HIS H 3.425 . 4.425 3.989 3.732 4.064 . 0 0 "[ . 1 . 2 ]" 1
463 1 50 HIS H 1 50 HIS HB2 3.313 . 3.313 2.327 2.309 2.363 . 0 0 "[ . 1 . 2 ]" 1
464 1 50 HIS H 1 50 HIS HB3 3.440 . 3.440 3.567 3.553 3.584 0.144 8 0 "[ . 1 . 2 ]" 1
465 1 50 HIS H 1 50 HIS HD2 3.758 . 3.758 2.825 2.652 2.976 . 0 0 "[ . 1 . 2 ]" 1
466 1 50 HIS HA 1 51 PHE H 2.931 . 2.931 2.129 2.079 2.182 . 0 0 "[ . 1 . 2 ]" 1
467 1 50 HIS HA 1 51 PHE QD 3.417 . 5.417 4.299 3.826 4.884 . 0 0 "[ . 1 . 2 ]" 1
468 1 50 HIS HB3 1 51 PHE H 4.142 . 4.142 3.804 3.342 4.012 . 0 0 "[ . 1 . 2 ]" 1
469 1 51 PHE H 1 51 PHE HB2 3.514 . 3.514 2.719 2.508 2.892 . 0 0 "[ . 1 . 2 ]" 1
470 1 51 PHE H 1 51 PHE HB3 3.943 . 3.943 3.828 3.703 3.940 . 0 0 "[ . 1 . 2 ]" 1
471 1 51 PHE H 1 51 PHE QD 3.750 . 5.750 2.959 2.444 3.449 . 0 0 "[ . 1 . 2 ]" 1
472 1 51 PHE HA 1 51 PHE QD 3.967 . 5.967 2.829 2.515 3.155 . 0 0 "[ . 1 . 2 ]" 1
473 1 51 PHE HA 1 52 LYS H 2.430 . 2.430 2.138 2.077 2.198 . 0 0 "[ . 1 . 2 ]" 1
474 1 51 PHE HB2 1 52 LYS H 4.062 . 4.062 4.116 4.073 4.158 0.096 22 0 "[ . 1 . 2 ]" 1
475 1 51 PHE HB2 1 63 LEU QD 4.312 . 6.712 2.460 2.080 3.487 . 0 0 "[ . 1 . 2 ]" 1
476 1 51 PHE HB3 1 52 LYS H 3.626 . 3.626 3.260 2.997 3.431 . 0 0 "[ . 1 . 2 ]" 1
477 1 51 PHE HB3 1 63 LEU QD 3.758 . 6.158 2.323 2.069 2.989 . 0 0 "[ . 1 . 2 ]" 1
478 1 51 PHE QD 1 52 LYS H 4.127 . 6.127 4.240 3.969 4.444 . 0 0 "[ . 1 . 2 ]" 1
479 1 52 LYS H 1 52 LYS QB 2.757 . 3.757 2.560 2.310 2.816 . 0 0 "[ . 1 . 2 ]" 1
480 1 52 LYS HA 1 52 LYS QB 2.310 . 3.310 2.332 2.096 2.484 . 0 0 "[ . 1 . 2 ]" 1
481 1 52 LYS HA 1 52 LYS QG 2.821 . 3.821 2.932 2.324 3.451 . 0 0 "[ . 1 . 2 ]" 1
482 1 52 LYS HA 1 53 VAL H 2.757 . 2.757 2.067 2.036 2.100 . 0 0 "[ . 1 . 2 ]" 1
483 1 52 LYS QB 1 53 VAL H 3.506 . 4.506 3.438 2.953 3.875 . 0 0 "[ . 1 . 2 ]" 1
484 1 52 LYS QB 1 54 LEU QD 3.235 . 6.635 2.885 2.177 3.930 . 0 0 "[ . 1 . 2 ]" 1
485 1 53 VAL H 1 53 VAL HB 3.489 . 3.489 2.546 2.431 2.666 . 0 0 "[ . 1 . 2 ]" 1
486 1 53 VAL H 1 53 VAL QG 3.525 . 5.925 2.576 2.422 2.772 . 0 0 "[ . 1 . 2 ]" 1
487 1 53 VAL HA 1 53 VAL QG 2.916 . 5.316 2.246 2.216 2.284 . 0 0 "[ . 1 . 2 ]" 1
488 1 53 VAL HA 1 54 LEU H 2.310 . 2.310 2.162 2.107 2.235 . 0 0 "[ . 1 . 2 ]" 1
489 1 53 VAL HA 1 63 LEU QD 3.652 . 6.052 3.282 2.206 4.415 . 0 0 "[ . 1 . 2 ]" 1
490 1 53 VAL QG 1 54 LEU H 2.708 . 5.108 3.277 2.922 3.443 . 0 0 "[ . 1 . 2 ]" 1
491 1 53 VAL QG 1 61 TYR QB 3.631 . 7.031 2.118 2.006 2.412 . 0 0 "[ . 1 . 2 ]" 1
492 1 53 VAL QG 1 61 TYR QD 3.350 . 7.750 2.299 2.170 2.522 . 0 0 "[ . 1 . 2 ]" 1
493 1 53 VAL QG 1 62 PHE H 3.793 . 6.193 3.341 2.854 3.865 . 0 0 "[ . 1 . 2 ]" 1
494 1 53 VAL QG 1 63 LEU QD 3.559 . 8.359 2.215 1.938 3.093 . 0 0 "[ . 1 . 2 ]" 1
495 1 53 VAL QG 1 71 LEU QD 4.098 . 8.898 2.612 2.160 3.942 . 0 0 "[ . 1 . 2 ]" 1
496 1 54 LEU H 1 54 LEU QB 2.445 . 3.445 2.719 2.389 3.130 . 0 0 "[ . 1 . 2 ]" 1
497 1 54 LEU H 1 54 LEU HG 2.334 . 2.334 2.399 2.326 2.490 0.156 15 0 "[ . 1 . 2 ]" 1
498 1 54 LEU H 1 62 PHE H 3.713 . 3.713 3.684 3.385 3.759 0.046 2 0 "[ . 1 . 2 ]" 1
499 1 54 LEU H 1 62 PHE O . . 2.300 2.296 2.199 2.347 0.047 4 0 "[ . 1 . 2 ]" 1
500 1 54 LEU H 1 63 LEU HA 3.211 . 3.211 3.232 2.837 3.326 0.115 14 0 "[ . 1 . 2 ]" 1
501 1 54 LEU HA 1 54 LEU QD 3.085 . 5.485 2.737 2.257 3.518 . 0 0 "[ . 1 . 2 ]" 1
502 1 54 LEU HA 1 55 ARG H 2.679 . 2.679 2.202 2.076 2.482 . 0 0 "[ . 1 . 2 ]" 1
503 1 54 LEU QB 1 55 ARG H 3.331 . 4.331 2.892 2.243 3.241 . 0 0 "[ . 1 . 2 ]" 1
504 1 54 LEU QB 1 62 PHE QE 3.310 . 6.310 3.504 2.738 5.179 . 0 0 "[ . 1 . 2 ]" 1
505 1 54 LEU QD 1 62 PHE QD 4.430 . 8.830 3.583 3.123 3.915 . 0 0 "[ . 1 . 2 ]" 1
506 1 54 LEU QD 1 62 PHE QE 4.320 . 8.720 2.623 2.362 2.856 . 0 0 "[ . 1 . 2 ]" 1
507 1 54 LEU N 1 62 PHE O . 2.500 3.300 3.143 2.960 3.265 . 0 0 "[ . 1 . 2 ]" 1
508 1 54 LEU O 1 62 PHE H . . 2.300 2.035 1.854 2.308 0.008 3 0 "[ . 1 . 2 ]" 1
509 1 54 LEU O 1 62 PHE N . 2.500 3.300 3.023 2.858 3.245 . 0 0 "[ . 1 . 2 ]" 1
510 1 55 ARG H 1 55 ARG HB2 3.389 . 3.389 2.606 2.433 2.760 . 0 0 "[ . 1 . 2 ]" 1
511 1 55 ARG H 1 55 ARG HB3 3.833 . 3.833 3.783 3.686 3.852 0.019 18 0 "[ . 1 . 2 ]" 1
512 1 55 ARG H 1 55 ARG QD 4.308 . 5.308 4.265 3.864 4.810 . 0 0 "[ . 1 . 2 ]" 1
513 1 55 ARG H 1 55 ARG QG 3.820 . 4.820 2.850 2.562 3.449 . 0 0 "[ . 1 . 2 ]" 1
514 1 55 ARG HA 1 55 ARG QD 4.135 . 5.135 4.068 2.384 4.304 . 0 0 "[ . 1 . 2 ]" 1
515 1 55 ARG HA 1 55 ARG QG 2.966 . 3.966 2.464 2.304 2.766 . 0 0 "[ . 1 . 2 ]" 1
516 1 55 ARG HA 1 56 ASP H 3.190 . 3.190 2.180 2.078 2.306 . 0 0 "[ . 1 . 2 ]" 1
517 1 55 ARG HA 1 61 TYR HA 2.868 . 2.868 2.844 2.163 2.980 0.112 6 0 "[ . 1 . 2 ]" 1
518 1 55 ARG HA 1 62 PHE QD 3.230 . 5.230 3.408 3.014 4.013 . 0 0 "[ . 1 . 2 ]" 1
519 1 55 ARG HA 1 62 PHE QE 3.510 . 5.510 3.872 3.622 4.123 . 0 0 "[ . 1 . 2 ]" 1
520 1 55 ARG HB2 1 56 ASP H 4.314 . 4.314 4.054 3.660 4.342 0.028 6 0 "[ . 1 . 2 ]" 1
521 1 55 ARG HB3 1 56 ASP H 4.314 . 4.314 2.986 2.452 3.528 . 0 0 "[ . 1 . 2 ]" 1
522 1 55 ARG QD 1 61 TYR HA 4.665 . 5.665 4.815 2.824 5.200 . 0 0 "[ . 1 . 2 ]" 1
523 1 55 ARG QD 1 61 TYR QD 4.683 . 7.683 3.678 3.061 4.612 . 0 0 "[ . 1 . 2 ]" 1
524 1 55 ARG QD 1 61 TYR QE 4.122 . 7.122 3.080 2.234 4.250 . 0 0 "[ . 1 . 2 ]" 1
525 1 56 ASP H 1 56 ASP HB3 4.095 . 4.095 3.206 2.772 3.559 . 0 0 "[ . 1 . 2 ]" 1
526 1 56 ASP H 1 60 LYS H 5.000 . 5.000 3.322 2.411 4.463 . 0 0 "[ . 1 . 2 ]" 1
527 1 58 ALA H 1 59 GLY H 3.939 . 3.939 3.174 2.769 4.000 0.061 10 0 "[ . 1 . 2 ]" 1
528 1 58 ALA MB 1 59 GLY H 2.465 . 3.465 2.243 2.053 2.948 . 0 0 "[ . 1 . 2 ]" 1
529 1 58 ALA MB 1 60 LYS QE 3.933 . 5.933 3.817 2.532 4.253 . 0 0 "[ . 1 . 2 ]" 1
530 1 59 GLY H 1 59 GLY QA 2.209 . 3.209 2.561 2.335 2.609 . 0 0 "[ . 1 . 2 ]" 1
531 1 59 GLY H 1 60 LYS H 3.635 . 3.635 2.992 1.860 3.655 0.020 1 0 "[ . 1 . 2 ]" 1
532 1 59 GLY QA 1 60 LYS H 4.374 . 5.374 2.457 2.304 2.960 . 0 0 "[ . 1 . 2 ]" 1
533 1 60 LYS HA 1 60 LYS QB 2.527 . 3.527 2.434 2.327 2.519 . 0 0 "[ . 1 . 2 ]" 1
534 1 60 LYS HA 1 60 LYS QD 2.310 . 3.310 2.616 2.262 2.924 . 0 0 "[ . 1 . 2 ]" 1
535 1 60 LYS HA 1 60 LYS QG 3.048 . 4.048 2.781 2.421 3.216 . 0 0 "[ . 1 . 2 ]" 1
536 1 60 LYS HA 1 61 TYR H 3.111 . 3.111 2.157 2.072 2.337 . 0 0 "[ . 1 . 2 ]" 1
537 1 60 LYS HA 1 69 ASN HA 2.814 . 2.814 2.626 2.185 2.877 0.063 8 0 "[ . 1 . 2 ]" 1
538 1 60 LYS QB 1 68 PHE H 4.457 . 5.457 3.913 2.732 4.608 . 0 0 "[ . 1 . 2 ]" 1
539 1 60 LYS QE 1 60 LYS QG 3.264 . 5.264 2.347 2.172 2.973 . 0 0 "[ . 1 . 2 ]" 1
540 1 61 TYR H 1 61 TYR QB 3.394 . 4.394 2.654 2.516 3.438 . 0 0 "[ . 1 . 2 ]" 1
541 1 61 TYR H 1 61 TYR QD 3.476 . 5.476 2.692 1.985 3.596 . 0 0 "[ . 1 . 2 ]" 1
542 1 61 TYR H 1 68 PHE H 4.678 . 4.678 3.197 2.083 4.270 . 0 0 "[ . 1 . 2 ]" 1
543 1 61 TYR H 1 68 PHE O . . 2.500 2.227 1.992 2.511 0.011 23 0 "[ . 1 . 2 ]" 1
544 1 61 TYR HA 1 61 TYR QD 3.158 . 5.158 2.915 2.647 3.638 . 0 0 "[ . 1 . 2 ]" 1
545 1 61 TYR HA 1 62 PHE H 2.949 . 2.949 2.162 2.094 2.225 . 0 0 "[ . 1 . 2 ]" 1
546 1 61 TYR HA 1 62 PHE QD 3.329 . 5.329 3.961 3.338 4.252 . 0 0 "[ . 1 . 2 ]" 1
547 1 61 TYR QD 1 71 LEU QD 4.392 . 8.792 3.074 2.651 4.481 . 0 0 "[ . 1 . 2 ]" 1
548 1 61 TYR QE 1 70 SER HA 3.279 . 5.279 2.851 2.373 4.382 . 0 0 "[ . 1 . 2 ]" 1
549 1 61 TYR QE 1 71 LEU QD 4.127 . 8.527 3.045 2.360 3.569 . 0 0 "[ . 1 . 2 ]" 1
550 1 61 TYR N 1 68 PHE O . 2.500 3.500 2.992 2.889 3.134 . 0 0 "[ . 1 . 2 ]" 1
551 1 61 TYR O 1 68 PHE H . . 2.300 2.253 2.013 2.339 0.039 24 0 "[ . 1 . 2 ]" 1
552 1 61 TYR O 1 68 PHE N . 2.500 3.300 3.051 2.884 3.261 . 0 0 "[ . 1 . 2 ]" 1
553 1 62 PHE H 1 62 PHE QD 3.721 . 5.721 2.766 2.481 3.049 . 0 0 "[ . 1 . 2 ]" 1
554 1 62 PHE HA 1 62 PHE QB 2.232 . 3.232 2.116 2.086 2.148 . 0 0 "[ . 1 . 2 ]" 1
555 1 62 PHE HA 1 63 LEU H 4.324 . 4.324 2.081 2.028 2.173 . 0 0 "[ . 1 . 2 ]" 1
556 1 62 PHE HA 1 67 LYS HA 2.942 . 2.942 2.834 2.334 3.028 0.086 22 0 "[ . 1 . 2 ]" 1
557 1 62 PHE HA 1 68 PHE QE 4.134 . 6.134 4.129 3.391 4.589 . 0 0 "[ . 1 . 2 ]" 1
558 1 62 PHE HA 1 74 LEU QD 3.908 . 6.308 3.482 2.333 4.551 . 0 0 "[ . 1 . 2 ]" 1
559 1 62 PHE QB 1 63 LEU H 4.486 . 5.486 3.246 2.970 3.453 . 0 0 "[ . 1 . 2 ]" 1
560 1 62 PHE QB 1 67 LYS HA 3.668 . 4.668 2.182 2.041 2.400 . 0 0 "[ . 1 . 2 ]" 1
561 1 62 PHE QD 1 64 TRP H 4.236 . 6.236 4.942 3.817 5.457 . 0 0 "[ . 1 . 2 ]" 1
562 1 63 LEU H 1 64 TRP H 3.490 . 3.490 2.270 2.014 2.645 . 0 0 "[ . 1 . 2 ]" 1
563 1 63 LEU HA 1 63 LEU QD 3.279 . 5.679 2.955 2.145 3.502 . 0 0 "[ . 1 . 2 ]" 1
564 1 63 LEU QB 1 64 TRP H 3.874 . 4.874 2.938 2.200 3.738 . 0 0 "[ . 1 . 2 ]" 1
565 1 63 LEU QD 1 64 TRP H 4.941 . 7.341 2.797 1.866 3.952 . 0 0 "[ . 1 . 2 ]" 1
566 1 63 LEU QD 1 74 LEU QD 3.733 . 8.533 2.335 1.873 3.552 . 0 0 "[ . 1 . 2 ]" 1
567 1 64 TRP H 1 65 VAL H 4.219 . 4.219 3.130 2.671 4.051 . 0 0 "[ . 1 . 2 ]" 1
568 1 64 TRP HA 1 64 TRP HD1 3.040 . 3.040 2.856 2.511 3.085 0.045 11 0 "[ . 1 . 2 ]" 1
569 1 64 TRP HA 1 65 VAL H 3.981 . 3.981 3.347 2.159 3.631 . 0 0 "[ . 1 . 2 ]" 1
570 1 64 TRP QB 1 65 VAL H 3.494 . 4.494 2.485 1.927 4.022 . 0 0 "[ . 1 . 2 ]" 1
571 1 64 TRP HZ2 1 81 THR MG 3.388 . 4.388 3.669 3.266 3.772 . 0 0 "[ . 1 . 2 ]" 1
572 1 65 VAL H 1 65 VAL HB 4.207 . 4.207 3.506 2.831 4.125 . 0 0 "[ . 1 . 2 ]" 1
573 1 65 VAL H 1 65 VAL QG 3.906 . 6.306 2.828 2.464 3.330 . 0 0 "[ . 1 . 2 ]" 1
574 1 65 VAL HA 1 65 VAL HB 2.860 . 2.860 2.646 2.356 3.012 0.152 22 0 "[ . 1 . 2 ]" 1
575 1 65 VAL HA 1 66 VAL H 4.449 . 4.449 3.576 3.500 3.665 . 0 0 "[ . 1 . 2 ]" 1
576 1 65 VAL HB 1 66 VAL H 3.656 . 3.656 3.187 2.127 3.771 0.115 23 0 "[ . 1 . 2 ]" 1
577 1 65 VAL QG 1 66 VAL H 4.155 . 6.555 2.317 1.707 3.233 0.093 2 0 "[ . 1 . 2 ]" 1
578 1 66 VAL H 1 66 VAL HB 3.542 . 3.542 2.973 2.563 3.671 0.129 23 0 "[ . 1 . 2 ]" 1
579 1 66 VAL H 1 66 VAL QG 3.298 . 5.698 2.161 2.002 2.293 . 0 0 "[ . 1 . 2 ]" 1
580 1 66 VAL HA 1 66 VAL HB 2.657 . 2.657 2.478 2.436 2.554 . 0 0 "[ . 1 . 2 ]" 1
581 1 66 VAL HA 1 66 VAL QG 3.153 . 5.553 2.308 2.259 2.332 . 0 0 "[ . 1 . 2 ]" 1
582 1 66 VAL HA 1 67 LYS H 2.646 . 2.646 2.175 2.099 2.292 . 0 0 "[ . 1 . 2 ]" 1
583 1 66 VAL QG 1 67 LYS H 3.656 . 6.056 2.798 2.087 3.570 . 0 0 "[ . 1 . 2 ]" 1
584 1 66 VAL QG 1 68 PHE HZ 4.420 . 6.820 2.608 2.273 3.218 . 0 0 "[ . 1 . 2 ]" 1
585 1 66 VAL QG 1 77 TYR QE 2.398 . 6.798 3.493 2.765 4.341 . 0 0 "[ . 1 . 2 ]" 1
586 1 67 LYS H 1 67 LYS QD 3.953 . 4.953 3.268 2.026 4.376 . 0 0 "[ . 1 . 2 ]" 1
587 1 67 LYS H 1 67 LYS QG 4.362 . 5.362 2.891 2.183 4.076 . 0 0 "[ . 1 . 2 ]" 1
588 1 67 LYS HA 1 68 PHE H 3.097 . 3.097 2.216 2.101 2.388 . 0 0 "[ . 1 . 2 ]" 1
589 1 67 LYS QB 1 67 LYS QD 3.052 . 5.052 2.396 2.116 3.017 . 0 0 "[ . 1 . 2 ]" 1
590 1 67 LYS QB 1 68 PHE H 4.235 . 5.235 2.628 2.296 3.695 . 0 0 "[ . 1 . 2 ]" 1
591 1 67 LYS QD 1 68 PHE H 4.227 . 5.227 4.488 3.281 4.774 . 0 0 "[ . 1 . 2 ]" 1
592 1 68 PHE H 1 68 PHE QD 3.902 . 5.902 3.326 2.431 3.630 . 0 0 "[ . 1 . 2 ]" 1
593 1 68 PHE HA 1 68 PHE QB 2.305 . 3.305 2.381 2.135 2.438 . 0 0 "[ . 1 . 2 ]" 1
594 1 68 PHE HA 1 68 PHE QD 2.680 . 4.680 2.828 2.593 3.815 . 0 0 "[ . 1 . 2 ]" 1
595 1 68 PHE QB 1 69 ASN H 4.134 . 5.134 3.320 2.560 3.655 . 0 0 "[ . 1 . 2 ]" 1
596 1 68 PHE QB 1 70 SER H 3.563 . 4.563 3.536 3.040 4.074 . 0 0 "[ . 1 . 2 ]" 1
597 1 68 PHE QB 1 73 GLU QB 4.077 . 6.077 2.760 2.035 4.301 . 0 0 "[ . 1 . 2 ]" 1
598 1 68 PHE QB 1 73 GLU QG 3.900 . 5.900 3.583 2.241 4.547 . 0 0 "[ . 1 . 2 ]" 1
599 1 68 PHE QB 1 74 LEU QD 5.000 . 8.400 2.961 2.322 5.360 . 0 0 "[ . 1 . 2 ]" 1
600 1 68 PHE QD 1 69 ASN H 4.335 . 6.335 4.363 3.940 4.787 . 0 0 "[ . 1 . 2 ]" 1
601 1 68 PHE QD 1 74 LEU QD 4.002 . 8.402 2.380 2.077 3.843 . 0 0 "[ . 1 . 2 ]" 1
602 1 68 PHE QE 1 77 TYR QD 2.828 . 6.828 3.220 3.022 3.467 . 0 0 "[ . 1 . 2 ]" 1
603 1 68 PHE HZ 1 77 TYR QD 2.911 . 4.911 3.041 2.443 3.921 . 0 0 "[ . 1 . 2 ]" 1
604 1 68 PHE HZ 1 77 TYR QE 3.175 . 5.175 3.276 2.754 3.751 . 0 0 "[ . 1 . 2 ]" 1
605 1 69 ASN H 1 69 ASN QB 3.678 . 4.678 2.470 2.201 2.937 . 0 0 "[ . 1 . 2 ]" 1
606 1 69 ASN H 1 70 SER H 3.392 . 3.392 3.058 2.702 3.427 0.035 17 0 "[ . 1 . 2 ]" 1
607 1 69 ASN HA 1 70 SER H 4.080 . 4.080 3.529 2.395 3.626 . 0 0 "[ . 1 . 2 ]" 1
608 1 69 ASN QB 1 70 SER H 4.133 . 5.133 3.000 2.412 3.899 . 0 0 "[ . 1 . 2 ]" 1
609 1 70 SER H 1 73 GLU QB 3.454 . 4.454 2.731 2.079 3.895 . 0 0 "[ . 1 . 2 ]" 1
610 1 70 SER H 1 73 GLU QG 3.809 . 4.809 3.616 1.996 4.379 . 0 0 "[ . 1 . 2 ]" 1
611 1 70 SER HA 1 70 SER QB 2.526 . 3.526 2.315 2.181 2.426 . 0 0 "[ . 1 . 2 ]" 1
612 1 70 SER O 1 74 LEU H . . 2.300 2.322 2.149 2.375 0.075 12 0 "[ . 1 . 2 ]" 1
613 1 70 SER O 1 74 LEU N . 2.500 3.300 3.305 3.132 3.349 0.049 12 0 "[ . 1 . 2 ]" 1
614 1 71 LEU HA 1 71 LEU QD 3.410 . 5.810 2.225 2.132 2.646 . 0 0 "[ . 1 . 2 ]" 1
615 1 71 LEU HA 1 71 LEU HG 2.988 . 2.988 2.945 2.535 3.037 0.049 3 0 "[ . 1 . 2 ]" 1
616 1 71 LEU HA 1 74 LEU H 4.266 . 4.266 3.421 3.101 4.126 . 0 0 "[ . 1 . 2 ]" 1
617 1 71 LEU HA 1 74 LEU HB3 4.052 . 4.052 2.793 2.357 4.057 0.005 17 0 "[ . 1 . 2 ]" 1
618 1 71 LEU HA 1 74 LEU QD 5.000 . 7.400 3.477 2.820 4.592 . 0 0 "[ . 1 . 2 ]" 1
619 1 71 LEU QB 1 72 ASN H 3.935 . 4.935 3.081 2.454 4.009 . 0 0 "[ . 1 . 2 ]" 1
620 1 72 ASN H 1 72 ASN QB 3.491 . 4.491 2.693 2.268 3.466 . 0 0 "[ . 1 . 2 ]" 1
621 1 72 ASN H 1 73 GLU H 4.552 . 4.552 2.727 2.118 3.029 . 0 0 "[ . 1 . 2 ]" 1
622 1 72 ASN HA 1 72 ASN QB 2.462 . 3.462 2.363 2.100 2.421 . 0 0 "[ . 1 . 2 ]" 1
623 1 72 ASN HA 1 72 ASN HD21 3.920 . 3.920 3.418 2.578 3.948 0.028 16 0 "[ . 1 . 2 ]" 1
624 1 72 ASN HA 1 72 ASN HD22 4.410 . 4.410 4.249 3.916 4.614 0.204 9 0 "[ . 1 . 2 ]" 1
625 1 72 ASN HA 1 75 VAL QG 4.118 . 6.518 2.614 2.076 3.464 . 0 0 "[ . 1 . 2 ]" 1
626 1 72 ASN QB 1 73 GLU H 4.279 . 5.279 2.786 2.453 3.660 . 0 0 "[ . 1 . 2 ]" 1
627 1 72 ASN O 1 76 ASP H . . 2.300 2.149 1.956 2.317 0.017 6 0 "[ . 1 . 2 ]" 1
628 1 72 ASN O 1 76 ASP N . 2.500 3.300 3.149 2.970 3.334 0.034 2 0 "[ . 1 . 2 ]" 1
629 1 73 GLU H 1 73 GLU QB 3.486 . 4.486 2.374 2.144 2.744 . 0 0 "[ . 1 . 2 ]" 1
630 1 73 GLU H 1 73 GLU QG 3.301 . 4.301 3.200 2.251 4.006 . 0 0 "[ . 1 . 2 ]" 1
631 1 73 GLU H 1 74 LEU H 3.643 . 3.643 2.817 2.710 3.063 . 0 0 "[ . 1 . 2 ]" 1
632 1 73 GLU HA 1 73 GLU QG 3.460 . 4.460 2.755 2.396 3.406 . 0 0 "[ . 1 . 2 ]" 1
633 1 73 GLU HA 1 74 LEU H 4.630 . 4.630 3.606 3.562 3.658 . 0 0 "[ . 1 . 2 ]" 1
634 1 73 GLU HA 1 76 ASP H 4.314 . 4.314 3.854 3.193 4.226 . 0 0 "[ . 1 . 2 ]" 1
635 1 73 GLU HA 1 76 ASP QB 3.635 . 4.635 3.314 2.427 4.210 . 0 0 "[ . 1 . 2 ]" 1
636 1 73 GLU QG 1 74 LEU H 4.421 . 5.421 4.029 2.742 4.711 . 0 0 "[ . 1 . 2 ]" 1
637 1 73 GLU O 1 77 TYR H . . 2.300 2.302 2.095 2.354 0.054 18 0 "[ . 1 . 2 ]" 1
638 1 73 GLU O 1 77 TYR N . 2.500 3.300 3.222 3.045 3.321 0.021 15 0 "[ . 1 . 2 ]" 1
639 1 74 LEU H 1 74 LEU HB2 3.750 . 3.750 2.498 2.394 2.696 . 0 0 "[ . 1 . 2 ]" 1
640 1 74 LEU H 1 74 LEU HB3 3.595 . 3.595 2.527 2.358 2.653 . 0 0 "[ . 1 . 2 ]" 1
641 1 74 LEU H 1 74 LEU QD 4.585 . 6.985 3.838 3.731 3.935 . 0 0 "[ . 1 . 2 ]" 1
642 1 74 LEU H 1 74 LEU HG 4.585 . 4.585 4.562 4.468 4.609 0.024 18 0 "[ . 1 . 2 ]" 1
643 1 74 LEU HA 1 74 LEU HB2 2.912 . 2.912 2.495 2.443 2.606 . 0 0 "[ . 1 . 2 ]" 1
644 1 74 LEU HA 1 74 LEU QD 3.394 . 5.794 2.726 2.196 3.215 . 0 0 "[ . 1 . 2 ]" 1
645 1 74 LEU HA 1 77 TYR H 4.013 . 4.013 3.988 3.766 4.068 0.055 4 0 "[ . 1 . 2 ]" 1
646 1 74 LEU QD 1 75 VAL HA 3.738 . 6.138 3.697 2.725 4.610 . 0 0 "[ . 1 . 2 ]" 1
647 1 74 LEU QD 1 75 VAL QG 4.180 . 8.980 3.480 2.529 4.532 . 0 0 "[ . 1 . 2 ]" 1
648 1 74 LEU QD 1 78 HIS HD2 4.045 . 6.445 2.797 2.220 3.571 . 0 0 "[ . 1 . 2 ]" 1
649 1 74 LEU HG 1 78 HIS HD2 4.037 . 4.037 3.427 2.530 4.090 0.053 6 0 "[ . 1 . 2 ]" 1
650 1 75 VAL HA 1 75 VAL QG 3.146 . 5.546 2.267 2.155 2.504 . 0 0 "[ . 1 . 2 ]" 1
651 1 75 VAL HA 1 76 ASP H 4.600 . 4.600 3.597 3.557 3.637 . 0 0 "[ . 1 . 2 ]" 1
652 1 75 VAL HA 1 91 LEU QD 3.419 . 5.819 2.440 2.086 3.292 . 0 0 "[ . 1 . 2 ]" 1
653 1 75 VAL QG 1 76 ASP H 3.551 . 5.951 2.522 2.113 2.986 . 0 0 "[ . 1 . 2 ]" 1
654 1 75 VAL QG 1 76 ASP HA 2.726 . 5.126 3.267 3.086 3.634 . 0 0 "[ . 1 . 2 ]" 1
655 1 75 VAL QG 1 79 ARG HE 3.523 . 5.923 2.605 1.818 4.311 . 0 0 "[ . 1 . 2 ]" 1
656 1 75 VAL O 1 79 ARG H . . 2.300 2.321 2.279 2.347 0.047 20 0 "[ . 1 . 2 ]" 1
657 1 75 VAL O 1 79 ARG N . 2.500 3.300 3.045 2.926 3.146 . 0 0 "[ . 1 . 2 ]" 1
658 1 76 ASP H 1 76 ASP QB 2.980 . 3.980 2.439 2.232 2.699 . 0 0 "[ . 1 . 2 ]" 1
659 1 76 ASP H 1 77 TYR H 4.142 . 4.142 2.916 2.751 3.025 . 0 0 "[ . 1 . 2 ]" 1
660 1 76 ASP HA 1 76 ASP QB 2.310 . 3.310 2.389 2.128 2.473 . 0 0 "[ . 1 . 2 ]" 1
661 1 76 ASP HA 1 77 TYR H 4.831 . 4.831 3.565 3.483 3.613 . 0 0 "[ . 1 . 2 ]" 1
662 1 76 ASP HA 1 79 ARG H 4.453 . 4.453 3.398 3.217 3.578 . 0 0 "[ . 1 . 2 ]" 1
663 1 76 ASP HA 1 79 ARG QB 2.493 . 3.493 2.579 2.312 2.849 . 0 0 "[ . 1 . 2 ]" 1
664 1 76 ASP HA 1 79 ARG QD 2.729 . 3.729 2.640 2.243 3.212 . 0 0 "[ . 1 . 2 ]" 1
665 1 76 ASP HA 1 79 ARG HE 3.536 . 3.536 3.172 1.816 3.575 0.039 6 0 "[ . 1 . 2 ]" 1
666 1 76 ASP QB 1 79 ARG HE 4.335 . 5.335 4.394 3.606 4.804 . 0 0 "[ . 1 . 2 ]" 1
667 1 77 TYR H 1 77 TYR QB 2.859 . 3.859 2.278 2.205 2.309 . 0 0 "[ . 1 . 2 ]" 1
668 1 77 TYR H 1 77 TYR QD 4.251 . 6.251 4.286 4.238 4.310 . 0 0 "[ . 1 . 2 ]" 1
669 1 77 TYR H 1 79 ARG H 4.538 . 4.538 4.043 3.875 4.182 . 0 0 "[ . 1 . 2 ]" 1
670 1 77 TYR HA 1 77 TYR QB 2.445 . 3.445 2.366 2.290 2.387 . 0 0 "[ . 1 . 2 ]" 1
671 1 77 TYR HA 1 77 TYR QD 4.183 . 6.183 2.865 2.626 3.023 . 0 0 "[ . 1 . 2 ]" 1
672 1 77 TYR QD 1 78 HIS HA 3.162 . 5.162 3.757 3.457 4.384 . 0 0 "[ . 1 . 2 ]" 1
673 1 77 TYR QE 1 78 HIS HA 3.557 . 5.557 4.749 4.572 5.204 . 0 0 "[ . 1 . 2 ]" 1
674 1 77 TYR QE 1 81 THR HB 3.467 . 5.467 3.412 3.095 4.374 . 0 0 "[ . 1 . 2 ]" 1
675 1 77 TYR QE 1 81 THR MG 4.312 . 7.312 2.705 2.409 3.795 . 0 0 "[ . 1 . 2 ]" 1
676 1 78 HIS H 1 79 ARG H 3.681 . 3.681 2.866 2.814 2.939 . 0 0 "[ . 1 . 2 ]" 1
677 1 78 HIS HA 1 79 ARG H 4.486 . 4.486 3.349 3.295 3.385 . 0 0 "[ . 1 . 2 ]" 1
678 1 78 HIS HA 1 80 SER H 3.377 . 3.377 3.429 3.398 3.456 0.079 5 0 "[ . 1 . 2 ]" 1
679 1 78 HIS HA 1 81 THR H 3.371 . 3.371 2.605 2.497 2.936 . 0 0 "[ . 1 . 2 ]" 1
680 1 78 HIS HA 1 81 THR HB 2.968 . 2.968 2.518 2.349 2.787 . 0 0 "[ . 1 . 2 ]" 1
681 1 78 HIS QB 1 79 ARG H 4.257 . 5.257 3.480 3.387 3.563 . 0 0 "[ . 1 . 2 ]" 1
682 1 78 HIS QB 1 83 VAL QG 3.715 . 7.115 2.317 2.005 3.291 . 0 0 "[ . 1 . 2 ]" 1
683 1 78 HIS QB 1 91 LEU QD 4.200 . 7.600 2.041 1.901 2.577 . 0 0 "[ . 1 . 2 ]" 1
684 1 78 HIS HD2 1 83 VAL HA 4.424 . 4.424 4.470 4.444 4.508 0.084 22 0 "[ . 1 . 2 ]" 1
685 1 78 HIS HE1 1 81 THR MG 3.220 . 4.220 3.207 2.819 3.334 . 0 0 "[ . 1 . 2 ]" 1
686 1 78 HIS HE1 1 83 VAL HA 3.218 . 3.218 3.195 3.016 3.251 0.033 4 0 "[ . 1 . 2 ]" 1
687 1 79 ARG H 1 79 ARG QD 4.352 . 5.352 3.995 2.682 4.653 . 0 0 "[ . 1 . 2 ]" 1
688 1 79 ARG H 1 79 ARG QG 3.538 . 4.538 3.509 2.593 4.057 . 0 0 "[ . 1 . 2 ]" 1
689 1 79 ARG H 1 80 SER H 3.765 . 3.765 2.725 2.496 2.922 . 0 0 "[ . 1 . 2 ]" 1
690 1 79 ARG HA 1 79 ARG QB 2.660 . 3.660 2.486 2.398 2.632 . 0 0 "[ . 1 . 2 ]" 1
691 1 79 ARG HA 1 91 LEU H 3.367 . 3.367 2.592 2.190 3.368 0.001 2 0 "[ . 1 . 2 ]" 1
692 1 79 ARG HA 1 91 LEU QB 2.922 . 3.922 2.486 2.123 3.708 . 0 0 "[ . 1 . 2 ]" 1
693 1 79 ARG QB 1 80 SER H 2.805 . 3.805 2.990 2.883 3.236 . 0 0 "[ . 1 . 2 ]" 1
694 1 80 SER H 1 80 SER HA 2.923 . 2.923 3.026 3.017 3.029 0.106 17 0 "[ . 1 . 2 ]" 1
695 1 80 SER H 1 80 SER QB 2.999 . 3.999 2.682 2.622 2.789 . 0 0 "[ . 1 . 2 ]" 1
696 1 80 SER HA 1 81 THR H 4.341 . 4.341 3.586 3.540 3.617 . 0 0 "[ . 1 . 2 ]" 1
697 1 81 THR H 1 81 THR HB 3.894 . 3.894 2.558 2.471 2.629 . 0 0 "[ . 1 . 2 ]" 1
698 1 81 THR HA 1 81 THR MG 3.463 . 4.463 2.532 2.455 2.628 . 0 0 "[ . 1 . 2 ]" 1
699 1 81 THR HA 1 90 PHE QE 2.738 . 4.738 3.125 2.650 4.509 . 0 0 "[ . 1 . 2 ]" 1
700 1 82 SER HA 1 82 SER QB 2.672 . 3.672 2.370 2.141 2.428 . 0 0 "[ . 1 . 2 ]" 1
701 1 82 SER HA 1 83 VAL H 2.494 . 2.494 2.142 2.090 2.180 . 0 0 "[ . 1 . 2 ]" 1
702 1 82 SER HA 1 84 SER H 4.119 . 4.119 4.042 3.778 4.179 0.060 5 0 "[ . 1 . 2 ]" 1
703 1 82 SER HA 1 89 ILE H 4.242 . 4.242 3.178 2.168 3.956 . 0 0 "[ . 1 . 2 ]" 1
704 1 82 SER HA 1 90 PHE QD 2.688 . 4.688 3.119 2.492 4.132 . 0 0 "[ . 1 . 2 ]" 1
705 1 82 SER QB 1 83 VAL H 4.373 . 5.373 3.685 2.815 3.870 . 0 0 "[ . 1 . 2 ]" 1
706 1 82 SER QB 1 84 SER H 3.776 . 4.776 4.086 2.999 4.321 . 0 0 "[ . 1 . 2 ]" 1
707 1 82 SER QB 1 88 GLN HA 2.833 . 3.833 2.767 2.088 3.436 . 0 0 "[ . 1 . 2 ]" 1
708 1 82 SER QB 1 89 ILE H 3.767 . 4.767 3.279 1.620 4.250 0.180 23 0 "[ . 1 . 2 ]" 1
709 1 82 SER HG 1 84 SER H 3.578 . 3.578 3.081 2.088 3.606 0.028 24 0 "[ . 1 . 2 ]" 1
710 1 82 SER HG 1 89 ILE H 3.411 . 3.411 2.780 1.775 3.496 0.085 5 0 "[ . 1 . 2 ]" 1
711 1 83 VAL H 1 83 VAL HB 3.581 . 3.581 2.952 2.515 3.698 0.117 22 0 "[ . 1 . 2 ]" 1
712 1 83 VAL H 1 83 VAL QG 2.907 . 5.307 2.256 2.001 2.569 . 0 0 "[ . 1 . 2 ]" 1
713 1 83 VAL H 1 84 SER H 3.611 . 3.611 2.650 2.516 2.864 . 0 0 "[ . 1 . 2 ]" 1
714 1 83 VAL HB 1 84 SER H 4.311 . 4.311 3.156 2.434 4.281 . 0 0 "[ . 1 . 2 ]" 1
715 1 83 VAL QG 1 84 SER H 3.644 . 6.044 2.958 2.178 3.439 . 0 0 "[ . 1 . 2 ]" 1
716 1 83 VAL QG 1 89 ILE HB 3.507 . 5.907 2.711 2.011 4.511 . 0 0 "[ . 1 . 2 ]" 1
717 1 84 SER H 1 89 ILE HB 3.969 . 3.969 3.142 2.209 4.015 0.046 4 0 "[ . 1 . 2 ]" 1
718 1 84 SER HA 1 85 ARG H 4.395 . 4.395 2.551 2.144 3.596 . 0 0 "[ . 1 . 2 ]" 1
719 1 84 SER QB 1 87 GLN H 3.937 . 4.937 3.369 2.402 4.430 . 0 0 "[ . 1 . 2 ]" 1
720 1 84 SER QB 1 89 ILE MD 2.644 . 4.644 2.936 2.050 3.602 . 0 0 "[ . 1 . 2 ]" 1
721 1 84 SER QB 1 89 ILE QG 3.237 . 5.237 2.858 2.043 4.219 . 0 0 "[ . 1 . 2 ]" 1
722 1 85 ARG H 1 85 ARG QG 4.561 . 5.561 3.292 2.169 4.671 . 0 0 "[ . 1 . 2 ]" 1
723 1 85 ARG HA 1 85 ARG QG 2.756 . 3.756 2.706 2.258 3.515 . 0 0 "[ . 1 . 2 ]" 1
724 1 85 ARG HA 1 86 ASN H 4.736 . 4.736 3.215 2.113 3.627 . 0 0 "[ . 1 . 2 ]" 1
725 1 85 ARG QB 1 85 ARG HE 4.548 . 5.548 3.594 2.384 4.289 . 0 0 "[ . 1 . 2 ]" 1
726 1 85 ARG QB 1 86 ASN H 4.698 . 5.698 3.014 2.203 3.962 . 0 0 "[ . 1 . 2 ]" 1
727 1 85 ARG QG 1 86 ASN H 4.557 . 5.557 4.136 2.361 4.910 . 0 0 "[ . 1 . 2 ]" 1
728 1 86 ASN H 1 87 GLN H 3.565 . 3.565 2.844 2.472 3.578 0.013 15 0 "[ . 1 . 2 ]" 1
729 1 86 ASN QB 1 87 GLN H 4.156 . 5.156 2.563 2.084 3.321 . 0 0 "[ . 1 . 2 ]" 1
730 1 87 GLN H 1 87 GLN HB2 3.569 . 3.569 2.551 2.463 2.657 . 0 0 "[ . 1 . 2 ]" 1
731 1 87 GLN H 1 87 GLN HB3 3.782 . 3.782 3.740 3.694 3.818 0.036 19 0 "[ . 1 . 2 ]" 1
732 1 87 GLN H 1 87 GLN QG 3.796 . 4.796 2.810 2.520 3.611 . 0 0 "[ . 1 . 2 ]" 1
733 1 87 GLN HA 1 87 GLN QG 2.490 . 3.490 2.529 2.407 3.065 . 0 0 "[ . 1 . 2 ]" 1
734 1 87 GLN HA 1 88 GLN H 3.018 . 3.018 2.342 2.165 3.223 0.205 7 0 "[ . 1 . 2 ]" 1
735 1 87 GLN HB2 1 89 ILE MD 4.098 . 5.098 2.622 2.232 3.259 . 0 0 "[ . 1 . 2 ]" 1
736 1 87 GLN HE22 1 87 GLN QG 3.614 . 4.614 3.397 3.353 3.432 . 0 0 "[ . 1 . 2 ]" 1
737 1 88 GLN HA 1 88 GLN QB 2.385 . 3.385 2.315 2.105 2.494 . 0 0 "[ . 1 . 2 ]" 1
738 1 88 GLN HA 1 89 ILE H 2.618 . 2.618 2.179 2.067 2.315 . 0 0 "[ . 1 . 2 ]" 1
739 1 89 ILE H 1 89 ILE HB 3.621 . 3.621 2.891 2.640 3.399 . 0 0 "[ . 1 . 2 ]" 1
740 1 89 ILE H 1 89 ILE MD 4.798 . 5.798 3.127 1.869 3.908 . 0 0 "[ . 1 . 2 ]" 1
741 1 89 ILE HA 1 89 ILE MD 3.069 . 4.069 2.893 2.365 3.501 . 0 0 "[ . 1 . 2 ]" 1
742 1 89 ILE HA 1 89 ILE QG 2.908 . 3.908 2.982 2.415 3.515 . 0 0 "[ . 1 . 2 ]" 1
743 1 89 ILE HA 1 89 ILE MG 3.331 . 4.331 2.394 2.209 2.536 . 0 0 "[ . 1 . 2 ]" 1
744 1 89 ILE HA 1 90 PHE H 2.310 . 2.310 2.107 2.034 2.311 0.001 20 0 "[ . 1 . 2 ]" 1
745 1 89 ILE HB 1 89 ILE MD 3.564 . 4.564 2.979 2.308 3.346 . 0 0 "[ . 1 . 2 ]" 1
746 1 89 ILE HB 1 90 PHE H 4.245 . 4.245 4.105 3.478 4.356 0.111 9 0 "[ . 1 . 2 ]" 1
747 1 89 ILE MD 1 89 ILE MG 3.266 . 5.266 2.632 2.224 3.350 . 0 0 "[ . 1 . 2 ]" 1
748 1 89 ILE QG 1 90 PHE H 4.345 . 5.345 4.619 4.187 4.893 . 0 0 "[ . 1 . 2 ]" 1
749 1 90 PHE H 1 90 PHE QB 3.373 . 4.373 2.750 2.643 3.047 . 0 0 "[ . 1 . 2 ]" 1
750 1 90 PHE H 1 90 PHE QD 3.731 . 5.731 3.596 3.026 3.964 . 0 0 "[ . 1 . 2 ]" 1
751 1 90 PHE HA 1 90 PHE QD 3.953 . 5.953 2.457 2.237 3.078 . 0 0 "[ . 1 . 2 ]" 1
752 1 90 PHE HA 1 91 LEU H 2.913 . 2.913 2.117 2.032 2.334 . 0 0 "[ . 1 . 2 ]" 1
753 1 90 PHE QB 1 91 LEU H 3.689 . 4.689 3.054 2.236 3.551 . 0 0 "[ . 1 . 2 ]" 1
754 1 91 LEU H 1 91 LEU QB 3.337 . 4.337 2.286 2.155 2.589 . 0 0 "[ . 1 . 2 ]" 1
755 1 91 LEU H 1 91 LEU QD 2.900 . 5.300 2.550 2.259 3.674 . 0 0 "[ . 1 . 2 ]" 1
756 1 91 LEU HA 1 91 LEU QD 2.930 . 5.330 2.554 2.169 3.431 . 0 0 "[ . 1 . 2 ]" 1
757 1 91 LEU HA 1 92 ARG H 2.363 . 2.363 2.112 2.048 2.375 0.012 14 0 "[ . 1 . 2 ]" 1
758 1 91 LEU QB 1 92 ARG H 3.880 . 4.880 3.306 2.085 3.861 . 0 0 "[ . 1 . 2 ]" 1
759 1 91 LEU QD 1 92 ARG H 3.371 . 5.771 3.984 2.737 4.241 . 0 0 "[ . 1 . 2 ]" 1
760 1 91 LEU HG 1 92 ARG H 4.207 . 4.207 3.912 3.254 4.352 0.145 14 0 "[ . 1 . 2 ]" 1
761 1 92 ARG H 1 92 ARG QD 3.740 . 4.740 4.014 2.961 4.439 . 0 0 "[ . 1 . 2 ]" 1
762 1 92 ARG HA 1 92 ARG QD 4.273 . 5.273 2.832 2.247 4.167 . 0 0 "[ . 1 . 2 ]" 1
763 1 92 ARG HA 1 92 ARG QG 3.702 . 4.702 2.855 2.437 3.269 . 0 0 "[ . 1 . 2 ]" 1
764 1 92 ARG HA 1 93 ASP H 2.400 . 2.400 2.273 2.164 2.418 0.018 13 0 "[ . 1 . 2 ]" 1
765 1 92 ARG QB 1 92 ARG HE 4.635 . 5.635 3.834 2.295 4.520 . 0 0 "[ . 1 . 2 ]" 1
766 1 92 ARG QB 1 93 ASP H 3.054 . 4.054 2.898 1.948 3.720 . 0 0 "[ . 1 . 2 ]" 1
767 1 92 ARG QD 1 93 ASP H 4.134 . 5.134 4.026 2.329 4.735 . 0 0 "[ . 1 . 2 ]" 1
768 1 93 ASP H 1 93 ASP HA 3.139 . 3.139 2.971 2.923 3.033 . 0 0 "[ . 1 . 2 ]" 1
769 1 93 ASP H 1 93 ASP QB 2.845 . 3.845 2.468 2.228 2.802 . 0 0 "[ . 1 . 2 ]" 1
770 1 93 ASP HA 1 94 ILE H 2.562 . 2.562 2.245 2.163 2.537 . 0 0 "[ . 1 . 2 ]" 1
771 1 93 ASP QB 1 94 ILE H 4.167 . 5.167 2.912 2.370 3.618 . 0 0 "[ . 1 . 2 ]" 1
772 1 94 ILE H 1 94 ILE QG 3.945 . 4.945 2.286 2.055 3.394 . 0 0 "[ . 1 . 2 ]" 1
773 1 94 ILE HA 1 94 ILE MG 3.521 . 4.521 2.315 2.267 2.420 . 0 0 "[ . 1 . 2 ]" 1
774 1 94 ILE HA 1 95 GLU H 2.310 . 2.310 2.298 2.193 2.355 0.045 4 0 "[ . 1 . 2 ]" 1
775 1 94 ILE HB 1 94 ILE MD 3.009 . 4.009 2.488 2.352 3.337 . 0 0 "[ . 1 . 2 ]" 1
776 1 94 ILE HB 1 95 GLU H 3.373 . 3.373 2.427 2.179 3.479 0.106 15 0 "[ . 1 . 2 ]" 1
777 1 94 ILE QG 1 95 GLU H 4.203 . 5.203 3.977 3.533 4.353 . 0 0 "[ . 1 . 2 ]" 1
778 1 95 GLU H 1 95 GLU QB 3.264 . 4.264 2.419 2.253 3.044 . 0 0 "[ . 1 . 2 ]" 1
779 1 95 GLU H 1 95 GLU QG 3.816 . 4.816 4.142 3.644 4.232 . 0 0 "[ . 1 . 2 ]" 1
780 1 95 GLU HA 1 95 GLU QG 2.584 . 3.584 2.635 2.332 3.087 . 0 0 "[ . 1 . 2 ]" 1
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