NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
428494 |
2i96   |
6921 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2i96
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 978
_Distance_constraint_stats_list.Viol_count 1105
_Distance_constraint_stats_list.Viol_total 9403.146
_Distance_constraint_stats_list.Viol_max 5.756
_Distance_constraint_stats_list.Viol_rms 0.2232
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0240
_Distance_constraint_stats_list.Viol_average_violations_only 0.4255
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 19.946 1.429 10 18 "[*** **-**+******* **]"
1 4 GLN 5.400 1.402 20 3 "[ . -* . +]"
1 5 SER 5.400 1.402 20 3 "[ . -* . +]"
1 6 ASP 0.359 0.174 9 0 "[ . 1 . 2]"
1 7 GLU 0.558 0.174 9 0 "[ . 1 . 2]"
1 8 ALA 20.049 1.429 10 18 "[*** **-**+******* **]"
1 9 VAL 0.295 0.156 8 0 "[ . 1 . 2]"
1 10 LYS 3.447 0.621 12 1 "[ . 1 + . 2]"
1 11 TYR 5.204 1.316 6 2 "[ .+ 1 . - 2]"
1 12 TYR 0.448 0.109 14 0 "[ . 1 . 2]"
1 13 THR 2.901 0.361 3 0 "[ . 1 . 2]"
1 14 LEU 2.813 0.324 4 0 "[ . 1 . 2]"
1 15 GLU 3.592 0.432 17 0 "[ . 1 . 2]"
1 16 GLU 8.430 0.453 13 0 "[ . 1 . 2]"
1 17 ILE 3.975 0.272 13 0 "[ . 1 . 2]"
1 18 GLN 3.087 0.331 3 0 "[ . 1 . 2]"
1 19 LYS 14.369 0.982 1 7 "[+ * - * * * *]"
1 20 HIS 1.780 0.279 8 0 "[ . 1 . 2]"
1 21 ASN 2.205 0.233 12 0 "[ . 1 . 2]"
1 22 HIS 9.210 0.865 20 5 "[- * *1 . * +]"
1 24 LYS 4.499 0.602 5 4 "[- + *1 . * 2]"
1 25 SER 4.379 0.431 6 0 "[ . 1 . 2]"
1 26 THR 0.396 0.207 17 0 "[ . 1 . 2]"
1 27 TRP 3.071 0.272 13 0 "[ . 1 . 2]"
1 28 LEU 0.586 0.233 6 0 "[ . 1 . 2]"
1 29 ILE 0.354 0.219 12 0 "[ . 1 . 2]"
1 30 LEU 4.605 0.410 13 0 "[ . 1 . 2]"
1 31 HIS 4.477 0.410 13 0 "[ . 1 . 2]"
1 32 HIS 3.515 0.802 6 3 "[ .+ - . *2]"
1 33 LYS 1.708 0.320 1 0 "[ . 1 . 2]"
1 34 VAL 4.255 0.453 13 0 "[ . 1 . 2]"
1 35 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 1.097 0.281 7 0 "[ . 1 . 2]"
1 37 LEU 4.468 0.336 20 0 "[ . 1 . 2]"
1 38 THR 2.419 0.424 17 0 "[ . 1 . 2]"
1 39 LYS 9.741 0.945 19 6 "[ . *1** * +-]"
1 40 PHE 4.900 0.385 1 0 "[ . 1 . 2]"
1 41 LEU 5.526 0.789 13 5 "[ -* 1 + . ** 2]"
1 42 GLU 0.572 0.162 8 0 "[ . 1 . 2]"
1 43 GLU 0.436 0.162 8 0 "[ . 1 . 2]"
1 44 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.046 0.046 7 0 "[ . 1 . 2]"
1 48 GLU 14.813 0.964 5 9 "[** +* ** * . ** 2]"
1 49 GLU 14.405 0.964 5 11 "[****+* 1***-. * 2]"
1 50 VAL 1.288 0.135 12 0 "[ . 1 . 2]"
1 51 LEU 5.913 0.806 17 4 "[ * . - * . + 2]"
1 52 ARG 8.957 0.888 18 7 "[ * *.* 1* -.* + 2]"
1 53 GLU 2.374 0.729 5 2 "[ + - . 2]"
1 54 GLN 0.427 0.234 17 0 "[ . 1 . 2]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 4.872 0.453 13 0 "[ . 1 . 2]"
1 57 GLY 5.105 0.453 13 0 "[ . 1 . 2]"
1 58 ASP 1.191 0.311 12 0 "[ . 1 . 2]"
1 59 ALA 1.095 0.217 5 0 "[ . 1 . 2]"
1 60 THR 52.399 3.514 3 19 [**+-.***************]
1 61 GLU 0.268 0.144 18 0 "[ . 1 . 2]"
1 62 ASN 53.935 3.514 3 19 [**+-.***************]
1 63 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 1.003 0.411 6 0 "[ . 1 . 2]"
1 65 ASP 1.732 0.217 6 0 "[ . 1 . 2]"
1 66 VAL 0.374 0.170 8 0 "[ . 1 . 2]"
1 67 GLY 0.249 0.170 8 0 "[ . 1 . 2]"
1 68 HIS 0.003 0.003 12 0 "[ . 1 . 2]"
1 69 SER 4.088 0.474 20 0 "[ . 1 . 2]"
1 70 THR 1.918 0.633 20 1 "[ . 1 . +]"
1 71 ASP 29.527 2.433 17 14 "[** * ********* + -2]"
1 72 ALA 0.031 0.031 10 0 "[ . 1 . 2]"
1 73 ARG 12.352 0.847 10 4 "[ . + - * *]"
1 74 GLU 35.181 2.433 17 14 "[** * ********* + -2]"
1 75 MET 0.398 0.216 11 0 "[ . 1 . 2]"
1 76 SER 5.694 0.284 6 0 "[ . 1 . 2]"
1 77 LYS 5.410 1.119 12 1 "[ . 1 + . 2]"
1 78 THR 3.734 0.453 13 0 "[ . 1 . 2]"
1 79 PHE 0.065 0.039 10 0 "[ . 1 . 2]"
1 80 ILE 5.291 0.284 6 0 "[ . 1 . 2]"
1 81 ILE 0.129 0.129 17 0 "[ . 1 . 2]"
1 82 GLY 3.224 0.621 12 1 "[ . 1 + . 2]"
1 83 GLU 83.276 4.571 7 20 [******+******-******]
1 84 LEU 18.705 0.912 8 13 "[* *****+ * -.** **]"
1 85 HIS 6.957 1.316 6 2 "[ .+ 1 . - 2]"
1 86 PRO 8.843 0.865 10 7 "[ * *.* + -* . * 2]"
1 87 ASP 87.745 4.571 7 20 [***-**+*************]
1 88 ASP 101.326 5.756 16 20 [***************+-***]
1 89 ARG 17.917 1.164 19 10 "[ * *.* * * -* .* *+2]"
1 90 PRO 8.956 1.164 19 8 "[ *. *-1 * .* *+*]"
1 91 LYS 17.206 1.380 8 14 "[ ******+ * ***.*-* 2]"
1 92 LEU 85.734 5.756 16 20 [*************-*+****]
1 93 ASN 0.178 0.131 20 0 "[ . 1 . 2]"
1 94 LYS 8.737 0.865 10 7 "[ * *.* + -* . * 2]"
1 95 PRO 4.258 0.929 20 3 "[ . -1 * . +]"
1 96 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLU 0.037 0.016 3 0 "[ . 1 . 2]"
1 98 THR 0.032 0.016 3 0 "[ . 1 . 2]"
1 99 LEU 0.076 0.018 2 0 "[ . 1 . 2]"
1 100 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ILE 0.107 0.107 1 0 "[ . 1 . 2]"
1 104 ASP 0.000 0.000 . 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 ALA H 1 2 ALA HA 2.900 . 4.000 2.803 2.247 2.949 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 3 GLU HA 2.700 . 3.600 2.729 2.234 2.942 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU H 1 3 GLU QB 3.100 . 4.300 2.828 2.235 3.342 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLU H 1 3 GLU QG 3.800 . 5.600 2.951 1.949 4.499 0.051 18 0 "[ . 1 . 2]" 1
5 1 3 GLU QB 1 8 ALA H 3.300 . 4.700 5.692 4.796 6.129 1.429 10 18 "[*** **-**+******* **]" 1
6 1 4 GLN QB 1 5 SER HA 3.000 . 4.100 4.283 3.668 5.502 1.402 20 3 "[ . -* . +]" 1
7 1 6 ASP H 1 6 ASP QB 3.900 . 5.800 2.709 2.083 3.279 . 0 0 "[ . 1 . 2]" 1
8 1 6 ASP QB 1 7 GLU H 3.600 . 5.200 2.902 1.826 3.915 0.174 9 0 "[ . 1 . 2]" 1
9 1 7 GLU H 1 7 GLU HA 2.900 . 3.900 2.676 2.230 2.956 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLU H 1 7 GLU QB 2.700 . 3.600 2.766 2.174 3.378 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLU H 1 7 GLU QG 3.800 . 5.600 3.261 1.865 4.465 0.135 5 0 "[ . 1 . 2]" 1
12 1 7 GLU HA 1 7 GLU HB2 2.500 . 3.300 2.730 2.418 3.026 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLU HA 1 7 GLU QG 2.700 . 3.600 2.627 2.206 3.368 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLU HA 1 8 ALA H 2.300 . 3.000 2.551 2.140 2.805 . 0 0 "[ . 1 . 2]" 1
15 1 8 ALA H 1 9 VAL H 3.400 . 4.900 4.199 2.874 4.604 . 0 0 "[ . 1 . 2]" 1
16 1 8 ALA HA 1 9 VAL H 2.200 . 2.800 2.412 2.087 2.956 0.156 8 0 "[ . 1 . 2]" 1
17 1 9 VAL H 1 9 VAL HA 2.700 . 3.600 2.848 2.701 2.943 . 0 0 "[ . 1 . 2]" 1
18 1 9 VAL H 1 9 VAL HB 2.400 . 3.100 2.646 2.293 2.881 . 0 0 "[ . 1 . 2]" 1
19 1 9 VAL H 1 10 LYS H 4.200 . 6.000 4.483 3.960 4.657 . 0 0 "[ . 1 . 2]" 1
20 1 9 VAL HA 1 9 VAL HB 2.700 . 3.600 2.923 2.352 3.035 . 0 0 "[ . 1 . 2]" 1
21 1 9 VAL HA 1 9 VAL HB 2.200 . 2.800 2.291 1.940 2.534 . 0 0 "[ . 1 . 2]" 1
22 1 9 VAL HA 1 10 LYS H 2.100 . 2.700 2.225 2.132 2.406 . 0 0 "[ . 1 . 2]" 1
23 1 9 VAL HB 1 10 LYS H 2.400 . 3.100 2.408 2.167 2.545 . 0 0 "[ . 1 . 2]" 1
24 1 9 VAL HB 1 89 ARG QB 2.100 . 6.000 5.738 5.274 6.057 0.057 1 0 "[ . 1 . 2]" 1
25 1 10 LYS H 1 10 LYS HA 2.800 . 3.800 2.846 2.750 2.924 . 0 0 "[ . 1 . 2]" 1
26 1 10 LYS H 1 10 LYS QG 3.200 . 4.500 2.850 2.052 4.004 . 0 0 "[ . 1 . 2]" 1
27 1 10 LYS H 1 82 GLY HA2 3.600 . 5.200 4.240 3.123 5.399 0.199 18 0 "[ . 1 . 2]" 1
28 1 10 LYS H 1 83 GLU H 3.900 . 5.800 4.570 3.833 5.286 . 0 0 "[ . 1 . 2]" 1
29 1 10 LYS HA 1 10 LYS QB 2.100 . 2.700 2.382 2.313 2.488 . 0 0 "[ . 1 . 2]" 1
30 1 10 LYS HA 1 10 LYS QB 2.200 . 2.800 1.989 1.941 2.088 . 0 0 "[ . 1 . 2]" 1
31 1 10 LYS HA 1 10 LYS QB 2.200 . 2.800 1.992 1.942 2.103 . 0 0 "[ . 1 . 2]" 1
32 1 10 LYS HA 1 10 LYS HG2 2.900 . 3.900 2.866 2.167 3.862 . 0 0 "[ . 1 . 2]" 1
33 1 10 LYS HA 1 10 LYS HG3 2.900 . 4.000 3.055 2.366 3.795 . 0 0 "[ . 1 . 2]" 1
34 1 10 LYS HA 1 11 TYR H 2.300 . 2.900 2.178 2.094 2.330 . 0 0 "[ . 1 . 2]" 1
35 1 10 LYS HA 1 11 TYR HA 4.100 . 6.000 3.809 3.416 4.064 . 0 0 "[ . 1 . 2]" 1
36 1 10 LYS QB 1 10 LYS HG2 2.200 . 2.800 2.051 1.973 2.129 . 0 0 "[ . 1 . 2]" 1
37 1 10 LYS QB 1 10 LYS HG3 2.200 . 2.800 2.069 1.984 2.151 . 0 0 "[ . 1 . 2]" 1
38 1 10 LYS QB 1 12 TYR H 4.200 . 6.000 5.187 4.474 5.554 . 0 0 "[ . 1 . 2]" 1
39 1 10 LYS QB 1 82 GLY HA2 3.000 . 4.100 3.649 3.085 4.046 . 0 0 "[ . 1 . 2]" 1
40 1 10 LYS QB 1 82 GLY HA3 3.000 . 4.100 3.277 2.647 3.975 . 0 0 "[ . 1 . 2]" 1
41 1 10 LYS QB 1 11 TYR H 2.900 . 3.900 3.230 2.551 3.717 . 0 0 "[ . 1 . 2]" 1
42 1 10 LYS HB2 1 81 ILE HB 1.900 . 6.000 5.103 4.189 6.129 0.129 17 0 "[ . 1 . 2]" 1
43 1 10 LYS QD 1 10 LYS HE2 2.200 . 2.800 1.863 1.806 1.930 . 0 0 "[ . 1 . 2]" 1
44 1 10 LYS QG 1 11 TYR H 3.600 . 5.300 3.901 2.251 4.736 . 0 0 "[ . 1 . 2]" 1
45 1 10 LYS HG3 1 82 GLY HA2 4.000 . 6.000 5.591 4.923 6.260 0.260 17 0 "[ . 1 . 2]" 1
46 1 10 LYS HG3 1 82 GLY HA3 4.100 . 6.000 5.744 4.250 6.621 0.621 12 1 "[ . 1 + . 2]" 1
47 1 11 TYR H 1 11 TYR QB 3.600 . 3.600 2.581 2.466 2.699 . 0 0 "[ . 1 . 2]" 1
48 1 11 TYR H 1 12 TYR H 4.200 . 6.000 4.505 4.440 4.573 . 0 0 "[ . 1 . 2]" 1
49 1 11 TYR HA 1 11 TYR QB 2.700 . 3.600 2.329 2.288 2.367 . 0 0 "[ . 1 . 2]" 1
50 1 11 TYR HA 1 12 TYR H 2.400 . 3.100 2.288 2.169 2.391 . 0 0 "[ . 1 . 2]" 1
51 1 11 TYR HA 1 12 TYR HA 4.500 . 6.000 4.041 3.920 4.103 . 0 0 "[ . 1 . 2]" 1
52 1 11 TYR HA 1 83 GLU H 3.000 . 4.100 2.734 2.327 3.073 . 0 0 "[ . 1 . 2]" 1
53 1 11 TYR HA 1 83 GLU QB 4.300 . 6.000 3.392 2.810 3.744 . 0 0 "[ . 1 . 2]" 1
54 1 11 TYR HA 1 84 LEU QB 3.700 . 6.000 5.424 5.282 5.561 . 0 0 "[ . 1 . 2]" 1
55 1 11 TYR HA 1 85 HIS H 4.600 . 6.000 4.866 4.396 5.322 . 0 0 "[ . 1 . 2]" 1
56 1 11 TYR HA 1 85 HIS HA 4.500 . 6.000 4.389 3.921 4.859 . 0 0 "[ . 1 . 2]" 1
57 1 11 TYR QB 1 12 TYR H 2.900 . 3.900 2.619 2.271 2.928 . 0 0 "[ . 1 . 2]" 1
58 1 11 TYR QB 1 14 LEU QB 2.900 . 6.000 4.457 2.163 6.050 0.050 8 0 "[ . 1 . 2]" 1
59 1 11 TYR QB 1 84 LEU HG 3.500 . 5.000 3.348 1.575 4.300 0.425 7 0 "[ . 1 . 2]" 1
60 1 11 TYR QB 1 85 HIS HA 3.400 . 4.800 2.006 1.614 2.410 0.386 3 0 "[ . 1 . 2]" 1
61 1 11 TYR QB 1 85 HIS HA 2.400 . 3.100 1.908 1.595 2.187 0.105 3 0 "[ . 1 . 2]" 1
62 1 11 TYR QB 1 85 HIS HD2 2.800 . 3.800 2.541 2.057 2.831 . 0 0 "[ . 1 . 2]" 1
63 1 11 TYR QB 1 86 PRO HD2 3.200 . 4.500 2.552 1.720 3.260 0.180 6 0 "[ . 1 . 2]" 1
64 1 11 TYR QB 1 86 PRO HD3 3.300 . 4.600 2.908 2.143 3.448 . 0 0 "[ . 1 . 2]" 1
65 1 11 TYR QB 1 85 HIS HD2 2.700 . 3.600 2.998 2.089 4.916 1.316 6 2 "[ .+ 1 . - 2]" 1
66 1 11 TYR QB 1 86 PRO HA 3.100 . 4.300 3.568 1.952 3.992 . 0 0 "[ . 1 . 2]" 1
67 1 11 TYR QB 1 86 PRO HD2 4.200 . 6.000 3.671 2.900 4.315 . 0 0 "[ . 1 . 2]" 1
68 1 11 TYR QB 1 86 PRO HD3 3.400 . 4.900 3.194 2.152 4.022 . 0 0 "[ . 1 . 2]" 1
69 1 12 TYR H 1 12 TYR HB2 3.600 . 5.200 2.624 2.465 2.787 . 0 0 "[ . 1 . 2]" 1
70 1 12 TYR H 1 12 TYR HB3 3.100 . 4.300 3.760 3.668 3.857 . 0 0 "[ . 1 . 2]" 1
71 1 12 TYR H 1 13 THR H 3.000 . 4.100 3.260 2.722 3.637 . 0 0 "[ . 1 . 2]" 1
72 1 12 TYR H 1 17 ILE QG 4.000 . 6.000 4.733 4.168 5.189 . 0 0 "[ . 1 . 2]" 1
73 1 12 TYR H 1 83 GLU H 3.600 . 5.300 4.143 3.815 4.550 . 0 0 "[ . 1 . 2]" 1
74 1 12 TYR H 1 84 LEU HA 3.100 . 4.300 2.562 1.943 2.986 . 0 0 "[ . 1 . 2]" 1
75 1 12 TYR H 1 85 HIS H 3.200 . 4.500 3.387 2.746 3.926 . 0 0 "[ . 1 . 2]" 1
76 1 12 TYR HA 1 12 TYR HB2 2.600 . 3.500 3.028 3.006 3.040 . 0 0 "[ . 1 . 2]" 1
77 1 12 TYR HA 1 12 TYR HB3 2.700 . 3.600 2.525 2.449 2.588 . 0 0 "[ . 1 . 2]" 1
78 1 12 TYR HA 1 13 THR H 2.300 . 3.000 2.521 2.219 2.905 . 0 0 "[ . 1 . 2]" 1
79 1 12 TYR HA 1 17 ILE QG 4.100 . 6.000 5.054 4.272 5.651 . 0 0 "[ . 1 . 2]" 1
80 1 12 TYR HB2 1 14 LEU HA 3.000 . 4.200 3.568 3.112 3.965 . 0 0 "[ . 1 . 2]" 1
81 1 12 TYR HB2 1 27 TRP HH2 3.900 . 5.800 4.754 3.903 5.180 . 0 0 "[ . 1 . 2]" 1
82 1 12 TYR HB2 1 84 LEU QB 2.600 . 6.000 5.349 4.861 5.700 . 0 0 "[ . 1 . 2]" 1
83 1 12 TYR HB3 1 13 THR H 3.800 . 5.600 2.469 1.891 3.102 0.109 14 0 "[ . 1 . 2]" 1
84 1 12 TYR HB3 1 17 ILE QG 3.300 . 4.700 2.944 2.155 3.517 . 0 0 "[ . 1 . 2]" 1
85 1 12 TYR HB3 1 27 TRP HH2 4.300 . 6.000 4.804 4.055 5.632 . 0 0 "[ . 1 . 2]" 1
86 1 12 TYR HB3 1 84 LEU H 3.800 . 5.600 4.170 2.815 5.618 0.018 8 0 "[ . 1 . 2]" 1
87 1 13 THR H 1 13 THR HA 2.800 . 3.800 2.907 2.816 2.962 . 0 0 "[ . 1 . 2]" 1
88 1 13 THR H 1 14 LEU H 4.500 . 6.000 4.568 4.412 4.657 . 0 0 "[ . 1 . 2]" 1
89 1 13 THR H 1 14 LEU H 4.100 . 6.000 3.808 3.305 4.030 . 0 0 "[ . 1 . 2]" 1
90 1 13 THR H 1 15 GLU H 4.200 . 6.000 5.099 4.744 5.486 . 0 0 "[ . 1 . 2]" 1
91 1 13 THR H 1 15 GLU H 4.200 . 6.000 4.356 3.711 4.774 . 0 0 "[ . 1 . 2]" 1
92 1 13 THR H 1 16 GLU H 3.900 . 4.800 3.959 3.217 4.581 . 0 0 "[ . 1 . 2]" 1
93 1 13 THR H 1 16 GLU QB 3.100 . 4.300 2.377 1.793 2.819 0.107 8 0 "[ . 1 . 2]" 1
94 1 13 THR HA 1 13 THR HB 2.000 . 2.500 2.523 2.434 2.666 0.166 1 0 "[ . 1 . 2]" 1
95 1 13 THR HA 1 14 LEU H 2.300 . 3.000 2.331 2.172 2.730 . 0 0 "[ . 1 . 2]" 1
96 1 13 THR HA 1 85 HIS QB 2.600 . 3.400 1.948 1.614 2.247 0.186 3 0 "[ . 1 . 2]" 1
97 1 13 THR HA 1 85 HIS QB 2.600 . 3.500 2.029 1.632 2.535 0.068 3 0 "[ . 1 . 2]" 1
98 1 13 THR HA 1 85 HIS H 2.400 . 3.100 2.261 2.106 2.407 . 0 0 "[ . 1 . 2]" 1
99 1 13 THR HA 1 85 HIS QB 2.400 . 3.100 2.142 1.638 2.803 0.062 3 0 "[ . 1 . 2]" 1
100 1 13 THR HA 1 85 HIS QB 4.000 . 4.000 2.149 1.639 2.831 0.361 3 0 "[ . 1 . 2]" 1
101 1 13 THR HB 1 14 LEU QB 4.300 . 6.000 4.054 3.518 4.556 . 0 0 "[ . 1 . 2]" 1
102 1 13 THR HB 1 15 GLU QG 3.700 . 5.400 3.554 2.174 5.197 . 0 0 "[ . 1 . 2]" 1
103 1 13 THR HB 1 17 ILE QG 3.700 . 6.000 5.562 4.967 5.852 . 0 0 "[ . 1 . 2]" 1
104 1 13 THR HB 1 85 HIS QB 2.700 . 3.600 2.935 2.848 2.994 . 0 0 "[ . 1 . 2]" 1
105 1 13 THR HB 1 85 HIS QB 4.300 . 6.000 4.008 3.471 4.640 . 0 0 "[ . 1 . 2]" 1
106 1 14 LEU H 1 14 LEU HA 2.900 . 3.900 2.798 2.737 2.911 . 0 0 "[ . 1 . 2]" 1
107 1 14 LEU H 1 14 LEU QB 2.500 . 3.100 2.229 2.182 2.291 . 0 0 "[ . 1 . 2]" 1
108 1 14 LEU H 1 15 GLU H 2.600 . 3.400 2.564 2.201 2.781 . 0 0 "[ . 1 . 2]" 1
109 1 14 LEU H 1 15 GLU HB2 4.300 . 6.000 5.062 4.417 6.324 0.324 4 0 "[ . 1 . 2]" 1
110 1 14 LEU H 1 16 GLU H 4.600 . 6.000 4.260 3.954 4.518 . 0 0 "[ . 1 . 2]" 1
111 1 14 LEU H 1 85 HIS QB 4.000 . 4.700 3.586 2.755 4.275 . 0 0 "[ . 1 . 2]" 1
112 1 14 LEU HA 1 14 LEU QB 2.600 . 3.500 2.362 2.287 2.415 . 0 0 "[ . 1 . 2]" 1
113 1 14 LEU HA 1 14 LEU QB 2.300 . 3.000 2.280 2.173 2.316 . 0 0 "[ . 1 . 2]" 1
114 1 14 LEU HA 1 14 LEU HG 3.100 . 4.300 3.055 2.473 3.261 . 0 0 "[ . 1 . 2]" 1
115 1 14 LEU HA 1 15 GLU H 2.400 . 3.100 2.668 2.595 2.728 . 0 0 "[ . 1 . 2]" 1
116 1 14 LEU HA 1 18 GLN H 3.000 . 4.100 3.659 3.384 4.136 0.036 8 0 "[ . 1 . 2]" 1
117 1 14 LEU HA 1 17 ILE H 2.800 . 3.800 3.730 3.464 4.000 0.200 12 0 "[ . 1 . 2]" 1
118 1 14 LEU HA 1 17 ILE HB 2.500 . 3.300 3.244 2.718 3.505 0.205 14 0 "[ . 1 . 2]" 1
119 1 14 LEU HA 1 17 ILE HB 2.200 . 2.800 2.347 2.114 2.410 . 0 0 "[ . 1 . 2]" 1
120 1 14 LEU QB 1 15 GLU H 2.900 . 4.000 2.520 2.244 2.815 . 0 0 "[ . 1 . 2]" 1
121 1 14 LEU QB 1 16 GLU H 3.600 . 5.200 4.478 4.158 4.697 . 0 0 "[ . 1 . 2]" 1
122 1 14 LEU QB 1 32 HIS H 2.900 . 6.000 5.365 4.532 6.078 0.078 16 0 "[ . 1 . 2]" 1
123 1 14 LEU HB2 1 14 LEU HB3 1.700 . 2.200 1.680 1.654 1.692 . 0 0 "[ . 1 . 2]" 1
124 1 14 LEU HG 1 18 GLN HE21 4.300 . 6.000 5.724 4.906 6.072 0.072 15 0 "[ . 1 . 2]" 1
125 1 14 LEU HG 1 18 GLN HG2 3.000 . 4.100 3.718 2.923 4.169 0.069 3 0 "[ . 1 . 2]" 1
126 1 14 LEU HG 1 18 GLN QG 3.000 . 4.100 3.466 2.562 4.052 . 0 0 "[ . 1 . 2]" 1
127 1 15 GLU H 1 15 GLU QB 2.200 . 2.800 2.410 2.141 2.687 . 0 0 "[ . 1 . 2]" 1
128 1 15 GLU H 1 15 GLU QG 2.800 . 3.700 2.809 1.837 3.998 0.298 1 0 "[ . 1 . 2]" 1
129 1 15 GLU H 1 16 GLU H 2.500 . 3.300 2.701 2.337 2.949 . 0 0 "[ . 1 . 2]" 1
130 1 15 GLU H 1 16 GLU H 2.200 . 2.800 2.216 2.043 2.446 . 0 0 "[ . 1 . 2]" 1
131 1 15 GLU H 1 16 GLU QG 4.000 . 6.000 4.442 4.096 5.570 . 0 0 "[ . 1 . 2]" 1
132 1 15 GLU HA 1 15 GLU QB 2.300 . 2.900 2.311 2.167 2.410 . 0 0 "[ . 1 . 2]" 1
133 1 15 GLU HA 1 15 GLU HG3 2.800 . 3.800 3.256 2.481 4.232 0.432 17 0 "[ . 1 . 2]" 1
134 1 15 GLU HA 1 18 GLN QG 3.200 . 4.100 3.525 2.354 4.431 0.331 3 0 "[ . 1 . 2]" 1
135 1 15 GLU QB 1 15 GLU HG3 2.100 . 2.700 2.080 1.963 2.308 . 0 0 "[ . 1 . 2]" 1
136 1 15 GLU QB 1 16 GLU H 2.700 . 3.600 2.785 2.273 3.635 0.035 16 0 "[ . 1 . 2]" 1
137 1 15 GLU HB2 1 15 GLU HG2 2.600 . 3.400 2.396 2.162 2.681 . 0 0 "[ . 1 . 2]" 1
138 1 16 GLU H 1 16 GLU QB 2.400 . 3.100 2.399 1.964 2.647 . 0 0 "[ . 1 . 2]" 1
139 1 16 GLU H 1 16 GLU QG 3.200 . 4.500 2.410 1.983 3.606 . 0 0 "[ . 1 . 2]" 1
140 1 16 GLU H 1 17 ILE H 2.500 . 3.300 2.360 2.162 2.648 . 0 0 "[ . 1 . 2]" 1
141 1 16 GLU H 1 18 GLN H 3.600 . 4.300 3.858 3.404 4.152 . 0 0 "[ . 1 . 2]" 1
142 1 16 GLU HA 1 16 GLU HB2 2.400 . 3.100 2.531 2.242 3.040 . 0 0 "[ . 1 . 2]" 1
143 1 16 GLU HA 1 16 GLU HB3 2.100 . 2.600 2.295 2.168 2.491 . 0 0 "[ . 1 . 2]" 1
144 1 16 GLU HA 1 16 GLU QG 2.400 . 3.100 3.113 2.376 3.367 0.267 6 0 "[ . 1 . 2]" 1
145 1 16 GLU HA 1 18 GLN HB3 3.200 . 6.000 5.885 4.933 6.164 0.164 2 0 "[ . 1 . 2]" 1
146 1 16 GLU HA 1 19 LYS QB 3.500 . 5.100 3.076 2.085 4.338 . 0 0 "[ . 1 . 2]" 1
147 1 16 GLU HA 1 19 LYS QB 2.500 . 3.300 2.524 1.784 3.156 . 0 0 "[ . 1 . 2]" 1
148 1 16 GLU HA 1 19 LYS QE 2.900 . 4.000 3.228 1.830 4.205 0.205 2 0 "[ . 1 . 2]" 1
149 1 16 GLU HA 1 57 GLY HA2 2.100 . 6.000 6.115 5.240 6.453 0.453 13 0 "[ . 1 . 2]" 1
150 1 16 GLU QB 1 17 ILE H 2.900 . 4.000 2.480 2.291 2.875 . 0 0 "[ . 1 . 2]" 1
151 1 16 GLU QG 1 17 ILE HA 3.800 . 5.600 3.437 2.947 4.616 . 0 0 "[ . 1 . 2]" 1
152 1 17 ILE H 1 17 ILE HA 2.800 . 3.800 2.866 2.804 2.923 . 0 0 "[ . 1 . 2]" 1
153 1 17 ILE H 1 17 ILE HB 2.500 . 3.300 2.520 2.441 2.638 . 0 0 "[ . 1 . 2]" 1
154 1 17 ILE H 1 17 ILE QG 2.400 . 3.100 2.148 1.855 2.520 0.045 16 0 "[ . 1 . 2]" 1
155 1 17 ILE H 1 18 GLN H 2.600 . 3.400 2.403 2.165 2.651 . 0 0 "[ . 1 . 2]" 1
156 1 17 ILE HA 1 17 ILE HB 3.100 . 4.300 2.356 1.879 2.941 0.021 4 0 "[ . 1 . 2]" 1
157 1 17 ILE HA 1 17 ILE QG 3.000 . 3.800 2.465 2.352 2.903 . 0 0 "[ . 1 . 2]" 1
158 1 17 ILE HA 1 18 GLN H 3.100 . 4.300 3.443 3.018 3.550 . 0 0 "[ . 1 . 2]" 1
159 1 17 ILE HA 1 19 LYS H 3.800 . 5.600 3.870 3.431 4.265 . 0 0 "[ . 1 . 2]" 1
160 1 17 ILE HA 1 20 HIS H 3.300 . 4.600 3.448 2.774 4.177 . 0 0 "[ . 1 . 2]" 1
161 1 17 ILE HA 1 20 HIS QB 3.500 . 4.100 2.509 1.897 3.906 0.103 4 0 "[ . 1 . 2]" 1
162 1 17 ILE HA 1 20 HIS HD1 2.800 . 3.800 2.654 1.777 3.208 0.023 8 0 "[ . 1 . 2]" 1
163 1 17 ILE HA 1 27 TRP HE3 2.500 . 3.300 2.522 1.806 3.133 . 0 0 "[ . 1 . 2]" 1
164 1 17 ILE HA 1 27 TRP HH2 2.600 . 6.000 5.637 4.845 6.019 0.019 8 0 "[ . 1 . 2]" 1
165 1 17 ILE HB 1 27 TRP HB2 3.600 . 5.200 2.722 2.390 3.486 . 0 0 "[ . 1 . 2]" 1
166 1 17 ILE HB 1 28 LEU H 4.500 . 6.000 4.534 4.133 4.803 . 0 0 "[ . 1 . 2]" 1
167 1 17 ILE HB 1 28 LEU HB3 4.000 . 6.000 5.248 4.476 5.744 . 0 0 "[ . 1 . 2]" 1
168 1 17 ILE QG 1 27 TRP HE3 3.100 . 4.300 2.127 1.728 3.744 0.272 13 0 "[ . 1 . 2]" 1
169 1 17 ILE QG 1 27 TRP HH2 4.500 . 6.000 4.927 4.599 5.813 . 0 0 "[ . 1 . 2]" 1
170 1 17 ILE QG 1 85 HIS H 3.000 . 6.000 5.491 4.820 5.785 . 0 0 "[ . 1 . 2]" 1
171 1 18 GLN H 1 18 GLN HA 2.400 . 3.100 2.324 1.974 2.435 . 0 0 "[ . 1 . 2]" 1
172 1 18 GLN H 1 18 GLN HA 2.500 . 3.300 2.449 2.197 2.656 . 0 0 "[ . 1 . 2]" 1
173 1 18 GLN H 1 18 GLN HB2 2.200 . 2.800 2.273 2.091 2.442 . 0 0 "[ . 1 . 2]" 1
174 1 18 GLN H 1 18 GLN HB3 2.800 . 3.800 2.368 1.784 3.280 0.016 3 0 "[ . 1 . 2]" 1
175 1 18 GLN H 1 19 LYS H 2.700 . 3.600 2.516 1.888 2.692 . 0 0 "[ . 1 . 2]" 1
176 1 18 GLN HA 1 18 GLN HB2 2.500 . 3.300 2.911 2.543 3.029 . 0 0 "[ . 1 . 2]" 1
177 1 18 GLN HA 1 18 GLN HB3 2.400 . 3.100 2.691 2.513 3.030 . 0 0 "[ . 1 . 2]" 1
178 1 18 GLN HA 1 18 GLN QG 2.400 . 3.100 2.682 2.486 2.868 . 0 0 "[ . 1 . 2]" 1
179 1 18 GLN HA 1 19 LYS H 3.300 . 4.700 3.463 3.384 3.541 . 0 0 "[ . 1 . 2]" 1
180 1 18 GLN HA 1 20 HIS H 3.300 . 4.700 3.700 3.447 3.933 . 0 0 "[ . 1 . 2]" 1
181 1 18 GLN HA 1 21 ASN HB3 3.300 . 4.600 3.304 2.806 4.216 . 0 0 "[ . 1 . 2]" 1
182 1 18 GLN HA 1 56 GLY QA 3.200 . 3.400 2.909 2.288 3.382 . 0 0 "[ . 1 . 2]" 1
183 1 18 GLN HB2 1 18 GLN HE22 5.100 . 6.000 4.903 4.284 5.121 . 0 0 "[ . 1 . 2]" 1
184 1 18 GLN HB2 1 18 GLN QG 2.300 . 3.000 2.194 2.144 2.360 . 0 0 "[ . 1 . 2]" 1
185 1 18 GLN HB2 1 19 LYS H 3.100 . 4.300 3.086 2.705 3.974 . 0 0 "[ . 1 . 2]" 1
186 1 18 GLN HB3 1 18 GLN HE21 4.100 . 6.000 3.555 2.591 4.049 . 0 0 "[ . 1 . 2]" 1
187 1 18 GLN HB3 1 18 GLN QG 2.400 . 3.100 2.343 2.156 2.433 . 0 0 "[ . 1 . 2]" 1
188 1 18 GLN HE21 1 18 GLN QG 3.000 . 4.100 2.367 2.203 2.795 . 0 0 "[ . 1 . 2]" 1
189 1 18 GLN HE21 1 21 ASN HA 4.100 . 6.000 6.012 5.573 6.225 0.225 8 0 "[ . 1 . 2]" 1
190 1 18 GLN HE22 1 18 GLN QG 3.600 . 5.300 3.345 3.289 3.491 . 0 0 "[ . 1 . 2]" 1
191 1 18 GLN QG 1 19 LYS H 4.500 . 6.000 4.261 3.865 4.524 . 0 0 "[ . 1 . 2]" 1
192 1 18 GLN QG 1 56 GLY QA 4.200 . 6.000 4.489 3.995 4.908 . 0 0 "[ . 1 . 2]" 1
193 1 19 LYS H 1 19 LYS HA 2.600 . 3.500 2.892 2.838 2.934 . 0 0 "[ . 1 . 2]" 1
194 1 19 LYS H 1 19 LYS QB 2.300 . 2.900 2.106 1.722 2.308 . 0 0 "[ . 1 . 2]" 1
195 1 19 LYS H 1 19 LYS QB 2.600 . 2.800 2.109 1.723 2.316 0.077 17 0 "[ . 1 . 2]" 1
196 1 19 LYS H 1 19 LYS HD3 2.500 . 3.300 3.163 1.739 3.928 0.628 15 4 "[ * - * + 2]" 1
197 1 19 LYS H 1 19 LYS QE 3.900 . 5.800 4.055 3.354 5.711 . 0 0 "[ . 1 . 2]" 1
198 1 19 LYS H 1 20 HIS H 2.500 . 3.300 2.423 2.075 2.638 . 0 0 "[ . 1 . 2]" 1
199 1 19 LYS H 1 20 HIS HD2 3.500 . 6.000 5.996 5.679 6.141 0.141 12 0 "[ . 1 . 2]" 1
200 1 19 LYS HA 1 19 LYS QB 2.300 . 3.000 2.137 2.075 2.303 . 0 0 "[ . 1 . 2]" 1
201 1 19 LYS HA 1 19 LYS QB 2.600 . 3.500 2.126 2.064 2.279 . 0 0 "[ . 1 . 2]" 1
202 1 19 LYS HA 1 19 LYS QG 2.900 . 3.800 2.608 2.223 3.363 . 0 0 "[ . 1 . 2]" 1
203 1 19 LYS HA 1 20 HIS H 2.800 . 3.700 2.731 2.692 2.759 . 0 0 "[ . 1 . 2]" 1
204 1 19 LYS HA 1 22 HIS HD2 3.100 . 4.300 3.966 2.391 4.367 0.067 17 0 "[ . 1 . 2]" 1
205 1 19 LYS QB 1 19 LYS HE3 2.800 . 3.700 2.789 1.700 4.020 0.320 12 0 "[ . 1 . 2]" 1
206 1 19 LYS QB 1 20 HIS H 3.000 . 4.100 3.175 2.882 3.380 . 0 0 "[ . 1 . 2]" 1
207 1 19 LYS QB 1 22 HIS H 3.100 . 6.000 6.040 5.657 6.865 0.865 20 1 "[ . 1 . +]" 1
208 1 19 LYS QE 1 19 LYS QG 3.100 . 4.300 2.336 2.090 2.633 . 0 0 "[ . 1 . 2]" 1
209 1 19 LYS HE3 1 19 LYS QG 2.000 . 2.500 2.618 2.257 3.482 0.982 1 2 "[+ . 1 . - 2]" 1
210 1 20 HIS H 1 20 HIS QB . . 3.400 2.484 2.293 2.731 . 0 0 "[ . 1 . 2]" 1
211 1 20 HIS H 1 20 HIS HD2 3.300 . 4.700 4.530 3.764 4.688 . 0 0 "[ . 1 . 2]" 1
212 1 20 HIS H 1 21 ASN H 3.200 . 4.500 2.602 2.076 2.952 . 0 0 "[ . 1 . 2]" 1
213 1 20 HIS H 1 21 ASN HB3 3.500 . 5.100 3.673 3.410 4.827 . 0 0 "[ . 1 . 2]" 1
214 1 20 HIS HA 1 20 HIS QB 2.500 . 3.300 2.414 2.205 2.470 . 0 0 "[ . 1 . 2]" 1
215 1 20 HIS HA 1 20 HIS QB 2.600 . 3.400 2.267 2.060 2.427 . 0 0 "[ . 1 . 2]" 1
216 1 20 HIS HA 1 21 ASN H 2.400 . 3.100 2.853 2.619 3.333 0.233 12 0 "[ . 1 . 2]" 1
217 1 20 HIS HA 1 21 ASN HB3 4.000 . 6.000 4.739 4.491 4.901 . 0 0 "[ . 1 . 2]" 1
218 1 20 HIS HA 1 22 HIS H 3.200 . 4.500 3.471 3.053 4.577 0.077 20 0 "[ . 1 . 2]" 1
219 1 20 HIS HA 1 25 SER HB3 3.000 . 6.000 3.448 2.405 4.460 . 0 0 "[ . 1 . 2]" 1
220 1 20 HIS QB 1 20 HIS HD1 3.300 . 4.700 2.436 2.395 2.459 . 0 0 "[ . 1 . 2]" 1
221 1 20 HIS QB 1 21 ASN H 4.000 . 6.000 3.769 3.041 3.902 . 0 0 "[ . 1 . 2]" 1
222 1 20 HIS QB 1 21 ASN H 3.300 . 4.600 3.256 2.197 3.394 . 0 0 "[ . 1 . 2]" 1
223 1 20 HIS QB 1 22 HIS H 4.200 . 6.000 3.983 3.770 4.238 . 0 0 "[ . 1 . 2]" 1
224 1 20 HIS QB 1 25 SER HB2 2.700 . 3.600 2.565 2.205 3.467 . 0 0 "[ . 1 . 2]" 1
225 1 20 HIS QB 1 27 TRP H 3.500 . 5.100 3.115 2.637 3.889 . 0 0 "[ . 1 . 2]" 1
226 1 20 HIS QB 1 27 TRP H 3.500 . 5.000 2.983 2.594 3.495 . 0 0 "[ . 1 . 2]" 1
227 1 20 HIS QB 1 27 TRP HB2 3.200 . 3.800 2.731 2.394 3.538 . 0 0 "[ . 1 . 2]" 1
228 1 20 HIS QB 1 27 TRP HB3 3.800 . 5.600 4.064 3.712 4.766 . 0 0 "[ . 1 . 2]" 1
229 1 20 HIS QB 1 27 TRP HZ2 3.800 . 6.000 4.929 4.516 5.405 . 0 0 "[ . 1 . 2]" 1
230 1 20 HIS HD2 1 25 SER HB2 3.400 . 4.900 3.410 2.126 4.630 . 0 0 "[ . 1 . 2]" 1
231 1 20 HIS HD2 1 25 SER HB3 3.300 . 4.700 3.084 2.134 4.979 0.279 8 0 "[ . 1 . 2]" 1
232 1 21 ASN H 1 21 ASN HA 2.600 . 3.500 2.934 2.875 2.957 . 0 0 "[ . 1 . 2]" 1
233 1 21 ASN H 1 21 ASN HB3 2.900 . 4.000 2.728 2.385 3.529 . 0 0 "[ . 1 . 2]" 1
234 1 21 ASN H 1 22 HIS HB2 4.300 . 6.000 4.917 4.387 5.458 . 0 0 "[ . 1 . 2]" 1
235 1 21 ASN HA 1 21 ASN HB2 2.200 . 2.800 2.425 2.319 2.957 0.157 12 0 "[ . 1 . 2]" 1
236 1 21 ASN HA 1 21 ASN HB3 2.400 . 3.100 2.563 2.449 3.009 . 0 0 "[ . 1 . 2]" 1
237 1 21 ASN HA 1 21 ASN HD21 4.200 . 6.000 4.311 3.645 4.555 . 0 0 "[ . 1 . 2]" 1
238 1 21 ASN HA 1 21 ASN HD22 5.000 . 6.000 5.172 4.128 5.386 . 0 0 "[ . 1 . 2]" 1
239 1 21 ASN HA 1 26 THR HA 2.900 . 4.000 3.381 2.230 4.123 0.123 8 0 "[ . 1 . 2]" 1
240 1 21 ASN HA 1 27 TRP H 3.500 . 5.100 3.310 2.733 4.356 . 0 0 "[ . 1 . 2]" 1
241 1 21 ASN HA 1 56 GLY QA 3.700 . 5.400 3.273 2.599 4.619 . 0 0 "[ . 1 . 2]" 1
242 1 21 ASN HB2 1 21 ASN HD21 3.700 . 5.400 2.535 2.125 3.553 . 0 0 "[ . 1 . 2]" 1
243 1 21 ASN HB2 1 56 GLY H 4.000 . 6.000 4.362 3.338 5.837 . 0 0 "[ . 1 . 2]" 1
244 1 21 ASN HB2 1 56 GLY QA 3.000 . 4.100 2.713 2.212 4.001 . 0 0 "[ . 1 . 2]" 1
245 1 21 ASN HB3 1 21 ASN HD21 3.300 . 4.600 2.855 2.210 3.421 . 0 0 "[ . 1 . 2]" 1
246 1 21 ASN HB3 1 22 HIS H 3.300 . 4.600 3.208 2.919 3.414 . 0 0 "[ . 1 . 2]" 1
247 1 21 ASN HB3 1 56 GLY H 4.100 . 6.000 3.929 3.597 4.820 . 0 0 "[ . 1 . 2]" 1
248 1 21 ASN HB3 1 56 GLY QA 3.200 . 4.400 2.293 1.833 3.089 0.167 14 0 "[ . 1 . 2]" 1
249 1 22 HIS H 1 22 HIS HB2 3.700 . 5.400 3.836 3.672 3.965 . 0 0 "[ . 1 . 2]" 1
250 1 22 HIS H 1 24 LYS H 4.900 . 6.000 4.991 4.320 5.375 . 0 0 "[ . 1 . 2]" 1
251 1 22 HIS H 1 25 SER H 3.000 . 4.100 3.738 3.348 4.047 . 0 0 "[ . 1 . 2]" 1
252 1 22 HIS H 1 26 THR H 4.200 . 6.000 4.270 3.797 5.023 . 0 0 "[ . 1 . 2]" 1
253 1 22 HIS H 1 26 THR HA 3.200 . 4.500 3.490 2.898 4.486 . 0 0 "[ . 1 . 2]" 1
254 1 22 HIS HA 1 22 HIS HB2 2.300 . 3.000 2.495 2.417 2.584 . 0 0 "[ . 1 . 2]" 1
255 1 22 HIS HA 1 22 HIS HB3 2.200 . 2.800 2.409 2.328 2.494 . 0 0 "[ . 1 . 2]" 1
256 1 22 HIS HA 1 22 HIS HD2 4.300 . 6.000 4.914 4.319 5.109 . 0 0 "[ . 1 . 2]" 1
257 1 22 HIS HB2 1 22 HIS HD2 3.300 . 4.600 3.465 2.773 3.922 . 0 0 "[ . 1 . 2]" 1
258 1 22 HIS HB2 1 25 SER H 3.200 . 4.500 3.414 2.632 3.837 . 0 0 "[ . 1 . 2]" 1
259 1 22 HIS HB3 1 22 HIS HD2 2.500 . 3.300 2.808 2.691 3.351 0.051 12 0 "[ . 1 . 2]" 1
260 1 22 HIS HB3 1 25 SER H 5.100 . 6.000 5.649 5.430 6.021 0.021 12 0 "[ . 1 . 2]" 1
261 1 22 HIS HE1 1 24 LYS HA 4.400 . 6.000 4.877 4.408 5.260 . 0 0 "[ . 1 . 2]" 1
262 1 22 HIS HE1 1 24 LYS HB2 2.200 . 2.800 2.605 1.875 3.402 0.602 5 4 "[- + *1 . * 2]" 1
263 1 22 HIS HE1 1 24 LYS HB3 2.700 . 3.600 3.049 1.861 3.408 . 0 0 "[ . 1 . 2]" 1
264 1 22 HIS HE1 1 25 SER HB2 3.000 . 4.100 3.562 2.482 4.516 0.416 3 0 "[ . 1 . 2]" 1
265 1 22 HIS HE1 1 25 SER HB3 3.100 . 4.300 3.842 2.385 4.618 0.318 4 0 "[ . 1 . 2]" 1
266 1 24 LYS H 1 24 LYS HB2 3.300 . 4.600 2.300 2.047 2.560 . 0 0 "[ . 1 . 2]" 1
267 1 24 LYS H 1 24 LYS HB3 4.200 . 6.000 3.367 2.619 3.590 . 0 0 "[ . 1 . 2]" 1
268 1 24 LYS H 1 24 LYS QG 3.600 . 5.200 2.933 2.009 4.057 . 0 0 "[ . 1 . 2]" 1
269 1 24 LYS H 1 25 SER H 3.000 . 4.100 2.820 2.683 2.973 . 0 0 "[ . 1 . 2]" 1
270 1 24 LYS HA 1 24 LYS HB2 2.500 . 3.300 2.896 2.496 3.019 . 0 0 "[ . 1 . 2]" 1
271 1 24 LYS HA 1 24 LYS HB3 2.400 . 3.100 2.682 2.462 3.022 . 0 0 "[ . 1 . 2]" 1
272 1 24 LYS HA 1 24 LYS HB3 2.600 . 3.400 2.513 1.770 2.956 0.030 13 0 "[ . 1 . 2]" 1
273 1 24 LYS HA 1 24 LYS HD2 2.100 . 2.700 2.355 1.782 2.518 . 0 0 "[ . 1 . 2]" 1
274 1 24 LYS HA 1 24 LYS HG2 2.700 . 3.600 2.849 2.271 3.714 0.114 20 0 "[ . 1 . 2]" 1
275 1 24 LYS HA 1 24 LYS QG 2.500 . 3.300 2.466 2.198 3.009 . 0 0 "[ . 1 . 2]" 1
276 1 24 LYS HB2 1 25 SER H 3.300 . 4.700 3.447 2.945 4.182 . 0 0 "[ . 1 . 2]" 1
277 1 24 LYS HB3 1 25 SER H 3.700 . 5.400 3.682 2.406 4.226 . 0 0 "[ . 1 . 2]" 1
278 1 24 LYS QD 1 24 LYS QG 2.100 . 2.700 1.881 1.848 1.920 . 0 0 "[ . 1 . 2]" 1
279 1 24 LYS HE3 1 24 LYS QG 2.700 . 3.600 1.980 1.834 2.051 . 0 0 "[ . 1 . 2]" 1
280 1 24 LYS HG3 1 25 SER H 3.700 . 5.400 5.013 4.065 5.831 0.431 6 0 "[ . 1 . 2]" 1
281 1 25 SER H 1 25 SER HB2 3.100 . 4.300 3.272 2.957 3.622 . 0 0 "[ . 1 . 2]" 1
282 1 25 SER H 1 26 THR H 3.400 . 4.800 3.905 2.207 4.401 . 0 0 "[ . 1 . 2]" 1
283 1 25 SER HA 1 25 SER HB2 2.400 . 3.100 2.733 2.452 3.036 . 0 0 "[ . 1 . 2]" 1
284 1 25 SER HA 1 25 SER HB3 2.700 . 3.600 2.771 2.394 3.038 . 0 0 "[ . 1 . 2]" 1
285 1 26 THR H 1 26 THR HA 2.900 . 4.000 2.923 2.798 2.951 . 0 0 "[ . 1 . 2]" 1
286 1 26 THR H 1 26 THR HB 2.700 . 3.600 2.820 2.598 3.807 0.207 17 0 "[ . 1 . 2]" 1
287 1 26 THR HA 1 26 THR HB 2.400 . 3.100 3.001 2.521 3.036 . 0 0 "[ . 1 . 2]" 1
288 1 26 THR HA 1 27 TRP H 2.300 . 3.000 2.201 2.139 2.275 . 0 0 "[ . 1 . 2]" 1
289 1 26 THR HB 1 27 TRP H 4.100 . 6.000 4.346 3.542 4.454 . 0 0 "[ . 1 . 2]" 1
290 1 26 THR HB 1 37 LEU H 3.900 . 5.800 3.329 2.777 3.913 . 0 0 "[ . 1 . 2]" 1
291 1 26 THR HB 1 37 LEU HB2 3.400 . 4.800 2.823 2.191 3.925 . 0 0 "[ . 1 . 2]" 1
292 1 26 THR HB 1 37 LEU HB3 4.400 . 6.000 4.469 3.902 5.609 . 0 0 "[ . 1 . 2]" 1
293 1 26 THR HB 1 37 LEU HG 4.200 . 6.000 4.475 3.624 5.153 . 0 0 "[ . 1 . 2]" 1
294 1 26 THR HB 1 41 LEU HG 3.600 . 5.200 4.117 3.540 5.265 0.065 17 0 "[ . 1 . 2]" 1
295 1 27 TRP H 1 27 TRP HB2 2.800 . 3.800 2.522 2.364 2.640 . 0 0 "[ . 1 . 2]" 1
296 1 27 TRP H 1 27 TRP HB3 4.100 . 6.000 3.701 3.607 3.778 . 0 0 "[ . 1 . 2]" 1
297 1 27 TRP H 1 27 TRP HD1 3.600 . 5.200 3.406 3.123 3.611 . 0 0 "[ . 1 . 2]" 1
298 1 27 TRP H 1 56 GLY H 3.400 . 4.900 4.371 3.644 5.123 0.223 10 0 "[ . 1 . 2]" 1
299 1 27 TRP HA 1 27 TRP HB2 2.900 . 4.000 3.023 3.006 3.033 . 0 0 "[ . 1 . 2]" 1
300 1 27 TRP HA 1 27 TRP HB3 2.500 . 3.300 2.520 2.474 2.574 . 0 0 "[ . 1 . 2]" 1
301 1 27 TRP HA 1 27 TRP HD1 2.100 . 2.700 2.335 2.140 2.441 . 0 0 "[ . 1 . 2]" 1
302 1 27 TRP HA 1 27 TRP HE1 4.700 . 6.000 4.747 4.604 4.876 . 0 0 "[ . 1 . 2]" 1
303 1 27 TRP HA 1 28 LEU HG 4.100 . 6.000 4.328 3.036 5.264 . 0 0 "[ . 1 . 2]" 1
304 1 27 TRP HA 1 36 ASP HA 2.400 . 3.100 2.442 2.073 2.915 . 0 0 "[ . 1 . 2]" 1
305 1 27 TRP HA 1 36 ASP HB3 4.200 . 6.000 5.327 4.406 5.930 . 0 0 "[ . 1 . 2]" 1
306 1 27 TRP HA 1 37 LEU H 3.400 . 4.900 3.393 2.940 3.822 . 0 0 "[ . 1 . 2]" 1
307 1 27 TRP HB2 1 28 LEU H 4.200 . 6.000 3.685 3.317 4.076 . 0 0 "[ . 1 . 2]" 1
308 1 27 TRP HB3 1 27 TRP HE3 3.300 . 4.600 2.928 2.768 3.056 . 0 0 "[ . 1 . 2]" 1
309 1 27 TRP HB3 1 28 LEU H 2.600 . 3.500 2.442 2.067 2.985 . 0 0 "[ . 1 . 2]" 1
310 1 27 TRP HD1 1 36 ASP HA 2.000 . 2.500 2.434 2.132 2.632 0.132 10 0 "[ . 1 . 2]" 1
311 1 27 TRP HD1 1 36 ASP HB2 3.300 . 4.700 3.207 2.110 4.277 . 0 0 "[ . 1 . 2]" 1
312 1 27 TRP HD1 1 36 ASP HB3 4.100 . 6.000 4.479 3.479 5.073 . 0 0 "[ . 1 . 2]" 1
313 1 27 TRP HD1 1 37 LEU H 3.400 . 4.800 3.256 2.542 3.995 . 0 0 "[ . 1 . 2]" 1
314 1 27 TRP HE1 1 36 ASP HA 3.800 . 5.600 4.049 3.423 4.596 . 0 0 "[ . 1 . 2]" 1
315 1 27 TRP HE1 1 36 ASP HB2 3.100 . 4.300 3.028 2.550 3.727 . 0 0 "[ . 1 . 2]" 1
316 1 27 TRP HE1 1 36 ASP HB3 3.600 . 5.300 4.407 3.697 4.842 . 0 0 "[ . 1 . 2]" 1
317 1 28 LEU H 1 28 LEU HA 2.700 . 3.600 2.889 2.856 2.940 . 0 0 "[ . 1 . 2]" 1
318 1 28 LEU H 1 28 LEU HB2 3.900 . 5.800 3.982 3.871 4.044 . 0 0 "[ . 1 . 2]" 1
319 1 28 LEU H 1 28 LEU HG 3.600 . 5.200 3.228 2.929 3.598 . 0 0 "[ . 1 . 2]" 1
320 1 28 LEU H 1 29 ILE H 4.100 . 6.000 4.370 4.320 4.420 . 0 0 "[ . 1 . 2]" 1
321 1 28 LEU H 1 34 VAL HA 4.300 . 6.000 4.291 4.040 4.630 . 0 0 "[ . 1 . 2]" 1
322 1 28 LEU H 1 35 TYR H 2.700 . 3.600 2.651 2.322 2.900 . 0 0 "[ . 1 . 2]" 1
323 1 28 LEU H 1 35 TYR HB2 3.800 . 5.600 3.323 2.896 3.621 . 0 0 "[ . 1 . 2]" 1
324 1 28 LEU H 1 36 ASP HA 3.700 . 5.400 3.891 3.544 4.554 . 0 0 "[ . 1 . 2]" 1
325 1 28 LEU HA 1 28 LEU HB2 2.200 . 2.800 2.394 2.322 2.448 . 0 0 "[ . 1 . 2]" 1
326 1 28 LEU HA 1 28 LEU HB3 2.400 . 3.100 2.482 2.428 2.559 . 0 0 "[ . 1 . 2]" 1
327 1 28 LEU HA 1 29 ILE HG13 3.600 . 5.200 3.375 3.192 3.574 . 0 0 "[ . 1 . 2]" 1
328 1 28 LEU HA 1 55 ALA HA 3.800 . 5.600 3.081 2.621 3.744 . 0 0 "[ . 1 . 2]" 1
329 1 28 LEU HA 1 55 ALA HA 2.500 . 3.300 2.185 1.781 2.627 . 0 0 "[ . 1 . 2]" 1
330 1 28 LEU HA 1 56 GLY H 3.100 . 4.300 2.306 1.896 2.818 0.004 18 0 "[ . 1 . 2]" 1
331 1 28 LEU HB2 1 28 LEU HG 3.000 . 4.100 2.592 2.466 2.676 . 0 0 "[ . 1 . 2]" 1
332 1 28 LEU HB2 1 55 ALA HA 3.100 . 4.300 3.207 2.656 4.249 . 0 0 "[ . 1 . 2]" 1
333 1 28 LEU HB2 1 57 GLY H 3.600 . 5.300 4.329 3.351 5.437 0.137 8 0 "[ . 1 . 2]" 1
334 1 28 LEU HB3 1 35 TYR HB2 4.000 . 6.000 4.726 4.551 5.215 . 0 0 "[ . 1 . 2]" 1
335 1 28 LEU HB3 1 35 TYR HB2 3.300 . 6.000 4.628 4.448 5.027 . 0 0 "[ . 1 . 2]" 1
336 1 28 LEU HB3 1 55 ALA HA 3.200 . 4.500 2.662 2.195 3.389 . 0 0 "[ . 1 . 2]" 1
337 1 28 LEU HB3 1 56 GLY H 3.000 . 4.100 3.543 3.128 4.076 . 0 0 "[ . 1 . 2]" 1
338 1 28 LEU HG 1 29 ILE HA 3.700 . 5.400 3.701 3.354 4.214 . 0 0 "[ . 1 . 2]" 1
339 1 28 LEU HG 1 30 LEU HG 2.800 . 3.800 3.419 2.775 4.033 0.233 6 0 "[ . 1 . 2]" 1
340 1 28 LEU HG 1 35 TYR HB2 2.900 . 3.900 2.500 2.038 3.540 . 0 0 "[ . 1 . 2]" 1
341 1 28 LEU HG 1 35 TYR HB3 3.800 . 5.600 4.166 3.710 5.222 . 0 0 "[ . 1 . 2]" 1
342 1 28 LEU HG 1 36 ASP HA 4.900 . 6.000 4.405 3.624 5.568 . 0 0 "[ . 1 . 2]" 1
343 1 29 ILE H 1 29 ILE HB 2.600 . 3.500 2.696 2.585 2.823 . 0 0 "[ . 1 . 2]" 1
344 1 29 ILE H 1 29 ILE HG13 2.900 . 4.000 2.860 2.612 3.214 . 0 0 "[ . 1 . 2]" 1
345 1 29 ILE H 1 59 ALA H 2.900 . 4.000 3.389 2.537 3.911 . 0 0 "[ . 1 . 2]" 1
346 1 29 ILE H 1 59 ALA HA 3.000 . 6.000 5.399 4.933 5.817 . 0 0 "[ . 1 . 2]" 1
347 1 29 ILE HA 1 29 ILE HG12 2.700 . 3.600 2.599 2.423 2.739 . 0 0 "[ . 1 . 2]" 1
348 1 29 ILE HA 1 29 ILE HG13 3.000 . 4.100 3.039 2.890 3.242 . 0 0 "[ . 1 . 2]" 1
349 1 29 ILE HA 1 30 LEU H 2.300 . 3.000 2.215 2.088 2.379 . 0 0 "[ . 1 . 2]" 1
350 1 29 ILE HA 1 34 VAL HA 2.200 . 2.800 2.480 2.143 2.816 0.016 16 0 "[ . 1 . 2]" 1
351 1 29 ILE HB 1 32 HIS H 4.500 . 6.000 4.371 3.812 4.919 . 0 0 "[ . 1 . 2]" 1
352 1 29 ILE HB 1 58 ASP HA 2.200 . 2.800 2.003 1.630 2.357 . 0 0 "[ . 1 . 2]" 1
353 1 29 ILE HB 1 58 ASP HA 2.400 . 3.100 2.256 1.655 3.319 0.219 12 0 "[ . 1 . 2]" 1
354 1 29 ILE HG12 1 30 LEU H 2.800 . 3.800 2.472 2.212 2.656 . 0 0 "[ . 1 . 2]" 1
355 1 29 ILE HG12 1 34 VAL HA 2.200 . 2.800 2.652 2.299 2.856 0.056 12 0 "[ . 1 . 2]" 1
356 1 29 ILE HG13 1 34 VAL HA 4.000 . 6.000 3.771 3.252 3.920 . 0 0 "[ . 1 . 2]" 1
357 1 29 ILE HG13 1 58 ASP HA 4.100 . 6.000 4.417 3.551 5.588 . 0 0 "[ . 1 . 2]" 1
358 1 30 LEU H 1 30 LEU HB3 4.200 . 6.000 3.650 3.376 3.793 . 0 0 "[ . 1 . 2]" 1
359 1 30 LEU H 1 30 LEU HG 3.900 . 5.800 3.398 2.714 4.527 . 0 0 "[ . 1 . 2]" 1
360 1 30 LEU H 1 33 LYS HB2 3.700 . 5.400 4.047 3.304 5.063 . 0 0 "[ . 1 . 2]" 1
361 1 30 LEU H 1 34 VAL HA 4.000 . 6.000 3.989 3.444 4.561 . 0 0 "[ . 1 . 2]" 1
362 1 30 LEU HA 1 30 LEU HB2 2.800 . 3.700 2.990 2.857 3.026 . 0 0 "[ . 1 . 2]" 1
363 1 30 LEU HA 1 30 LEU HB3 2.300 . 3.000 2.585 2.495 2.818 . 0 0 "[ . 1 . 2]" 1
364 1 30 LEU HA 1 30 LEU HG 3.200 . 4.500 3.073 2.676 3.741 . 0 0 "[ . 1 . 2]" 1
365 1 30 LEU HA 1 31 HIS H 2.400 . 3.100 2.935 2.160 3.510 0.410 13 0 "[ . 1 . 2]" 1
366 1 30 LEU HA 1 32 HIS H 4.100 . 6.000 5.062 4.386 6.076 0.076 4 0 "[ . 1 . 2]" 1
367 1 30 LEU HA 1 59 ALA H 2.900 . 4.000 2.640 2.410 2.899 . 0 0 "[ . 1 . 2]" 1
368 1 30 LEU HA 1 60 THR H 2.800 . 3.800 2.878 2.551 3.013 . 0 0 "[ . 1 . 2]" 1
369 1 30 LEU HA 1 60 THR HB 2.500 . 3.300 2.796 1.797 3.277 . 0 0 "[ . 1 . 2]" 1
370 1 30 LEU HB2 1 30 LEU HG 2.400 . 3.100 2.432 2.397 2.484 . 0 0 "[ . 1 . 2]" 1
371 1 30 LEU HB2 1 31 HIS H 4.200 . 6.000 3.569 2.114 4.548 . 0 0 "[ . 1 . 2]" 1
372 1 30 LEU HB2 1 31 HIS HD2 4.600 . 6.000 4.126 2.241 5.385 . 0 0 "[ . 1 . 2]" 1
373 1 30 LEU HB2 1 60 THR HB 4.400 . 6.000 5.225 4.522 5.791 . 0 0 "[ . 1 . 2]" 1
374 1 30 LEU HB3 1 30 LEU HG 2.700 . 3.600 2.964 2.400 3.030 . 0 0 "[ . 1 . 2]" 1
375 1 30 LEU HB3 1 31 HIS HD2 3.200 . 4.500 2.935 1.982 3.696 . 0 0 "[ . 1 . 2]" 1
376 1 30 LEU HB3 1 60 THR HB 3.500 . 5.000 4.034 3.352 4.545 . 0 0 "[ . 1 . 2]" 1
377 1 30 LEU HG 1 31 HIS HD2 4.600 . 6.000 5.514 4.526 6.098 0.098 12 0 "[ . 1 . 2]" 1
378 1 30 LEU HG 1 60 THR HB 4.100 . 6.000 5.446 4.316 5.863 . 0 0 "[ . 1 . 2]" 1
379 1 30 LEU HG 1 60 THR HB 2.700 . 6.000 4.948 4.209 5.455 . 0 0 "[ . 1 . 2]" 1
380 1 31 HIS H 1 31 HIS HA 2.500 . 3.300 2.622 2.262 2.939 . 0 0 "[ . 1 . 2]" 1
381 1 31 HIS H 1 31 HIS QB 3.500 . 5.000 3.069 2.283 3.458 . 0 0 "[ . 1 . 2]" 1
382 1 31 HIS H 1 32 HIS H 3.300 . 4.600 2.908 1.889 3.982 0.111 1 0 "[ . 1 . 2]" 1
383 1 31 HIS H 1 33 LYS H 3.400 . 4.900 3.030 2.026 4.052 . 0 0 "[ . 1 . 2]" 1
384 1 31 HIS H 1 60 THR H 4.400 . 6.000 5.298 3.846 6.118 0.118 17 0 "[ . 1 . 2]" 1
385 1 31 HIS HA 1 31 HIS QB 2.200 . 2.800 2.413 2.170 2.549 . 0 0 "[ . 1 . 2]" 1
386 1 31 HIS HA 1 32 HIS H 2.400 . 3.100 2.438 2.061 2.821 . 0 0 "[ . 1 . 2]" 1
387 1 31 HIS QB 1 31 HIS HD2 2.600 . 3.400 2.953 2.653 3.271 . 0 0 "[ . 1 . 2]" 1
388 1 31 HIS QB 1 32 HIS H 3.100 . 4.300 2.977 1.910 3.620 . 0 0 "[ . 1 . 2]" 1
389 1 31 HIS QB 1 33 LYS H 3.300 . 4.600 3.282 2.492 4.067 . 0 0 "[ . 1 . 2]" 1
390 1 31 HIS HB3 1 31 HIS HD2 3.300 . 4.700 3.798 2.900 3.977 . 0 0 "[ . 1 . 2]" 1
391 1 32 HIS H 1 32 HIS HB2 3.000 . 4.100 3.312 2.672 4.026 . 0 0 "[ . 1 . 2]" 1
392 1 32 HIS HA 1 32 HIS HB2 2.600 . 3.500 2.923 2.537 3.026 . 0 0 "[ . 1 . 2]" 1
393 1 32 HIS HA 1 32 HIS HB3 2.500 . 3.300 2.569 2.314 3.010 . 0 0 "[ . 1 . 2]" 1
394 1 32 HIS HA 1 32 HIS HD2 2.800 . 3.800 2.961 2.196 4.130 0.330 8 0 "[ . 1 . 2]" 1
395 1 32 HIS HA 1 33 LYS H 3.000 . 4.100 3.366 3.001 3.566 . 0 0 "[ . 1 . 2]" 1
396 1 32 HIS HA 1 84 LEU H 3.600 . 5.300 4.561 3.704 5.038 . 0 0 "[ . 1 . 2]" 1
397 1 32 HIS HA 1 84 LEU QB 3.400 . 4.900 4.125 3.207 4.988 0.088 8 0 "[ . 1 . 2]" 1
398 1 32 HIS HB2 1 32 HIS HD2 3.300 . 4.700 3.650 2.769 3.976 . 0 0 "[ . 1 . 2]" 1
399 1 32 HIS HB2 1 84 LEU QB 2.600 . 6.000 5.649 4.011 6.802 0.802 6 3 "[ .+ - . *2]" 1
400 1 32 HIS HB3 1 32 HIS HD2 3.200 . 4.500 3.441 2.849 3.955 . 0 0 "[ . 1 . 2]" 1
401 1 33 LYS H 1 33 LYS HB2 2.400 . 3.100 2.571 2.296 2.919 . 0 0 "[ . 1 . 2]" 1
402 1 33 LYS H 1 33 LYS HB3 3.100 . 4.300 3.666 3.546 3.865 . 0 0 "[ . 1 . 2]" 1
403 1 33 LYS HA 1 33 LYS HB2 2.500 . 3.300 2.311 2.259 2.369 . 0 0 "[ . 1 . 2]" 1
404 1 33 LYS HA 1 33 LYS HB3 2.700 . 3.600 2.465 2.289 2.605 . 0 0 "[ . 1 . 2]" 1
405 1 33 LYS HA 1 33 LYS QG 2.700 . 3.600 2.586 2.286 3.262 . 0 0 "[ . 1 . 2]" 1
406 1 33 LYS HA 1 83 GLU HG2 2.800 . 3.800 2.298 1.724 2.972 0.076 10 0 "[ . 1 . 2]" 1
407 1 33 LYS HA 1 83 GLU HA 2.000 . 2.500 2.119 1.856 2.522 0.022 11 0 "[ . 1 . 2]" 1
408 1 33 LYS HA 1 83 GLU QB 4.600 . 6.000 3.664 3.158 4.187 . 0 0 "[ . 1 . 2]" 1
409 1 33 LYS HA 1 83 GLU QB 2.600 . 3.400 3.223 2.741 3.720 0.320 1 0 "[ . 1 . 2]" 1
410 1 33 LYS HB2 1 34 VAL H 3.800 . 5.600 3.666 3.472 3.880 . 0 0 "[ . 1 . 2]" 1
411 1 33 LYS HB2 1 80 ILE HA 4.100 . 6.000 4.457 4.250 4.675 . 0 0 "[ . 1 . 2]" 1
412 1 33 LYS HB2 1 80 ILE HG13 4.700 . 6.000 5.814 5.289 6.092 0.092 20 0 "[ . 1 . 2]" 1
413 1 33 LYS HB3 1 33 LYS QG 2.300 . 3.000 2.297 2.140 2.497 . 0 0 "[ . 1 . 2]" 1
414 1 33 LYS HB3 1 34 VAL H 2.800 . 3.800 3.107 2.893 3.429 . 0 0 "[ . 1 . 2]" 1
415 1 33 LYS HB3 1 80 ILE HA 2.700 . 6.000 4.064 3.714 4.338 . 0 0 "[ . 1 . 2]" 1
416 1 33 LYS HB3 1 80 ILE HG13 4.400 . 6.000 5.355 4.846 5.866 . 0 0 "[ . 1 . 2]" 1
417 1 33 LYS HB3 1 83 GLU HA 3.200 . 4.500 4.068 3.571 4.588 0.088 9 0 "[ . 1 . 2]" 1
418 1 33 LYS QD 1 34 VAL H 4.000 . 6.000 4.813 3.458 5.643 . 0 0 "[ . 1 . 2]" 1
419 1 33 LYS QE 1 33 LYS QG 2.700 . 3.600 2.072 1.895 2.209 . 0 0 "[ . 1 . 2]" 1
420 1 33 LYS QG 1 80 ILE HB 2.400 . 6.000 5.512 4.729 5.778 . 0 0 "[ . 1 . 2]" 1
421 1 34 VAL H 1 34 VAL HA 3.000 . 4.100 2.919 2.894 2.941 . 0 0 "[ . 1 . 2]" 1
422 1 34 VAL H 1 34 VAL HB 2.700 . 3.600 2.826 2.739 2.937 . 0 0 "[ . 1 . 2]" 1
423 1 34 VAL H 1 82 GLY H 3.000 . 4.100 3.436 3.218 3.662 . 0 0 "[ . 1 . 2]" 1
424 1 34 VAL H 1 83 GLU HA 2.800 . 3.800 2.526 2.096 2.946 . 0 0 "[ . 1 . 2]" 1
425 1 34 VAL H 1 84 LEU H 3.900 . 5.800 4.760 4.350 5.201 . 0 0 "[ . 1 . 2]" 1
426 1 34 VAL HA 1 34 VAL HB 2.600 . 3.400 2.438 2.391 2.484 . 0 0 "[ . 1 . 2]" 1
427 1 34 VAL HA 1 35 TYR H 2.400 . 3.100 2.205 2.140 2.275 . 0 0 "[ . 1 . 2]" 1
428 1 34 VAL HA 1 80 ILE HA 4.000 . 6.000 4.994 4.769 5.187 . 0 0 "[ . 1 . 2]" 1
429 1 34 VAL HB 1 81 ILE HG12 3.400 . 6.000 5.118 4.823 5.266 . 0 0 "[ . 1 . 2]" 1
430 1 34 VAL HB 1 81 ILE HG13 3.400 . 4.900 4.666 4.451 4.850 . 0 0 "[ . 1 . 2]" 1
431 1 34 VAL HB 1 82 GLY H 3.400 . 6.000 5.147 5.094 5.195 . 0 0 "[ . 1 . 2]" 1
432 1 34 VAL HB 1 83 GLU H 4.000 . 6.000 5.772 5.378 6.097 0.097 19 0 "[ . 1 . 2]" 1
433 1 35 TYR H 1 35 TYR HB2 2.700 . 3.600 2.609 2.484 2.745 . 0 0 "[ . 1 . 2]" 1
434 1 35 TYR HA 1 35 TYR HB2 2.700 . 3.600 3.026 3.015 3.033 . 0 0 "[ . 1 . 2]" 1
435 1 35 TYR HA 1 35 TYR HB3 2.300 . 3.000 2.494 2.449 2.541 . 0 0 "[ . 1 . 2]" 1
436 1 35 TYR HA 1 80 ILE HA 2.400 . 3.100 2.709 2.414 2.889 . 0 0 "[ . 1 . 2]" 1
437 1 35 TYR HA 1 80 ILE HG13 4.300 . 6.000 5.408 5.146 5.696 . 0 0 "[ . 1 . 2]" 1
438 1 35 TYR HA 1 81 ILE HG13 3.700 . 5.500 4.372 4.050 4.736 . 0 0 "[ . 1 . 2]" 1
439 1 35 TYR HB2 1 79 PHE HB2 4.700 . 6.000 5.187 4.757 5.458 . 0 0 "[ . 1 . 2]" 1
440 1 35 TYR HB2 1 79 PHE HB3 4.200 . 6.000 4.441 4.024 4.756 . 0 0 "[ . 1 . 2]" 1
441 1 35 TYR HB3 1 79 PHE H 3.800 . 5.600 4.297 4.180 4.597 . 0 0 "[ . 1 . 2]" 1
442 1 35 TYR HB3 1 79 PHE HB2 3.400 . 4.900 3.590 3.122 3.966 . 0 0 "[ . 1 . 2]" 1
443 1 35 TYR HB3 1 79 PHE HB3 2.900 . 3.900 2.714 2.280 3.016 . 0 0 "[ . 1 . 2]" 1
444 1 35 TYR HB3 1 80 ILE HA 3.600 . 5.200 4.198 3.808 4.581 . 0 0 "[ . 1 . 2]" 1
445 1 36 ASP H 1 36 ASP HB2 3.300 . 4.600 3.244 2.808 3.865 . 0 0 "[ . 1 . 2]" 1
446 1 36 ASP H 1 36 ASP HB3 2.800 . 3.800 2.665 2.525 2.825 . 0 0 "[ . 1 . 2]" 1
447 1 36 ASP H 1 79 PHE H 4.900 . 6.000 5.750 5.404 6.039 0.039 10 0 "[ . 1 . 2]" 1
448 1 36 ASP H 1 79 PHE HB2 4.200 . 6.000 4.288 3.686 4.796 . 0 0 "[ . 1 . 2]" 1
449 1 36 ASP H 1 79 PHE HB3 2.900 . 4.000 2.760 2.027 3.217 . 0 0 "[ . 1 . 2]" 1
450 1 36 ASP HA 1 36 ASP HB2 2.600 . 3.500 2.424 2.244 2.553 . 0 0 "[ . 1 . 2]" 1
451 1 36 ASP HA 1 36 ASP HB3 2.700 . 3.600 3.008 2.733 3.041 . 0 0 "[ . 1 . 2]" 1
452 1 36 ASP HA 1 37 LEU H 2.300 . 3.000 2.268 2.188 2.352 . 0 0 "[ . 1 . 2]" 1
453 1 36 ASP HA 1 38 THR H 4.200 . 6.000 4.236 3.543 4.635 . 0 0 "[ . 1 . 2]" 1
454 1 36 ASP HB2 1 37 LEU H 3.700 . 5.400 4.076 3.103 4.356 . 0 0 "[ . 1 . 2]" 1
455 1 36 ASP HB2 1 38 THR H 4.100 . 6.000 5.347 3.155 6.281 0.281 7 0 "[ . 1 . 2]" 1
456 1 36 ASP HB2 1 81 ILE H 3.500 . 5.100 4.096 3.923 4.370 . 0 0 "[ . 1 . 2]" 1
457 1 37 LEU H 1 37 LEU HA 2.900 . 3.900 2.947 2.930 2.957 . 0 0 "[ . 1 . 2]" 1
458 1 37 LEU H 1 37 LEU HB2 2.700 . 3.600 2.756 2.550 2.945 . 0 0 "[ . 1 . 2]" 1
459 1 37 LEU H 1 37 LEU HG 4.100 . 6.000 3.338 2.511 4.459 . 0 0 "[ . 1 . 2]" 1
460 1 37 LEU H 1 38 THR H 2.600 . 3.400 2.312 1.880 2.543 . 0 0 "[ . 1 . 2]" 1
461 1 37 LEU HA 1 37 LEU HB2 2.600 . 3.400 3.011 2.993 3.026 . 0 0 "[ . 1 . 2]" 1
462 1 37 LEU HA 1 37 LEU HB3 2.300 . 3.000 2.407 2.344 2.503 . 0 0 "[ . 1 . 2]" 1
463 1 37 LEU HA 1 37 LEU HG 3.400 . 4.800 3.444 3.123 3.911 . 0 0 "[ . 1 . 2]" 1
464 1 37 LEU HA 1 38 THR H 2.900 . 4.000 3.048 2.481 3.323 . 0 0 "[ . 1 . 2]" 1
465 1 37 LEU HA 1 40 PHE H 3.300 . 4.600 3.397 2.954 3.727 . 0 0 "[ . 1 . 2]" 1
466 1 37 LEU HA 1 40 PHE HB2 3.100 . 4.300 2.714 1.843 3.115 0.057 1 0 "[ . 1 . 2]" 1
467 1 37 LEU HA 1 40 PHE HB3 2.400 . 3.100 2.612 2.111 3.357 0.257 1 0 "[ . 1 . 2]" 1
468 1 37 LEU HA 1 41 LEU H 4.300 . 6.000 4.925 4.359 5.231 . 0 0 "[ . 1 . 2]" 1
469 1 37 LEU HB2 1 37 LEU HG 2.400 . 3.100 2.484 2.327 2.568 . 0 0 "[ . 1 . 2]" 1
470 1 37 LEU HB2 1 38 THR H 3.100 . 4.300 2.663 1.852 4.108 0.048 4 0 "[ . 1 . 2]" 1
471 1 37 LEU HB2 1 40 PHE H 3.600 . 5.300 3.846 2.439 4.372 . 0 0 "[ . 1 . 2]" 1
472 1 37 LEU HB2 1 40 PHE HA 4.800 . 6.000 6.168 6.067 6.336 0.336 20 0 "[ . 1 . 2]" 1
473 1 37 LEU HB2 1 40 PHE HB2 3.100 . 4.300 2.968 1.946 3.965 . 0 0 "[ . 1 . 2]" 1
474 1 37 LEU HB2 1 40 PHE HB3 3.500 . 5.000 3.619 3.345 5.040 0.040 1 0 "[ . 1 . 2]" 1
475 1 37 LEU HB2 1 41 LEU H 3.800 . 5.600 4.369 3.980 4.715 . 0 0 "[ . 1 . 2]" 1
476 1 37 LEU HB3 1 37 LEU HG 2.400 . 3.100 2.788 2.308 3.021 . 0 0 "[ . 1 . 2]" 1
477 1 37 LEU HB3 1 38 THR H 3.800 . 5.600 3.647 3.077 4.506 . 0 0 "[ . 1 . 2]" 1
478 1 37 LEU HB3 1 40 PHE HB2 4.600 . 6.000 3.320 2.090 3.996 . 0 0 "[ . 1 . 2]" 1
479 1 37 LEU HB3 1 40 PHE HB3 2.600 . 3.400 1.974 1.698 3.361 0.102 13 0 "[ . 1 . 2]" 1
480 1 37 LEU HG 1 51 LEU QB 3.600 . 5.200 4.937 3.664 5.335 0.135 17 0 "[ . 1 . 2]" 1
481 1 38 THR H 1 38 THR HA 2.700 . 3.600 2.425 2.236 2.851 . 0 0 "[ . 1 . 2]" 1
482 1 38 THR H 1 39 LYS H 3.400 . 4.900 3.734 2.758 4.551 . 0 0 "[ . 1 . 2]" 1
483 1 38 THR HA 1 38 THR HB 2.300 . 2.900 2.790 2.450 3.014 0.114 1 0 "[ . 1 . 2]" 1
484 1 38 THR HA 1 39 LYS H 3.800 . 5.600 3.454 2.153 3.582 . 0 0 "[ . 1 . 2]" 1
485 1 38 THR HA 1 41 LEU H 3.800 . 5.600 4.499 3.919 4.779 . 0 0 "[ . 1 . 2]" 1
486 1 38 THR HA 1 41 LEU HG 2.500 . 3.300 3.064 2.575 3.234 . 0 0 "[ . 1 . 2]" 1
487 1 38 THR HB 1 39 LYS H 3.100 . 4.300 2.609 1.855 3.622 0.045 17 0 "[ . 1 . 2]" 1
488 1 38 THR HB 1 39 LYS QG 3.200 . 4.500 3.863 2.869 4.924 0.424 17 0 "[ . 1 . 2]" 1
489 1 38 THR HB 1 41 LEU HG 2.800 . 6.000 5.251 4.879 5.497 . 0 0 "[ . 1 . 2]" 1
490 1 39 LYS H 1 39 LYS HB2 3.100 . 4.300 2.642 2.160 3.684 . 0 0 "[ . 1 . 2]" 1
491 1 39 LYS H 1 39 LYS HB3 3.500 . 5.000 3.348 2.505 4.158 . 0 0 "[ . 1 . 2]" 1
492 1 39 LYS H 1 39 LYS QD 3.400 . 4.800 4.051 2.250 5.028 0.228 20 0 "[ . 1 . 2]" 1
493 1 39 LYS H 1 39 LYS QG 3.200 . 4.500 2.731 1.760 3.870 0.140 19 0 "[ . 1 . 2]" 1
494 1 39 LYS H 1 40 PHE H 3.000 . 4.100 2.321 1.822 2.931 0.078 5 0 "[ . 1 . 2]" 1
495 1 39 LYS H 1 41 LEU H 3.700 . 5.400 4.126 3.286 4.515 . 0 0 "[ . 1 . 2]" 1
496 1 39 LYS HA 1 39 LYS HB2 2.500 . 3.300 2.876 2.469 3.033 . 0 0 "[ . 1 . 2]" 1
497 1 39 LYS HA 1 39 LYS HB2 2.600 . 3.400 2.873 2.468 3.029 . 0 0 "[ . 1 . 2]" 1
498 1 39 LYS HA 1 39 LYS HB3 2.400 . 3.100 2.575 2.396 2.992 . 0 0 "[ . 1 . 2]" 1
499 1 39 LYS HA 1 39 LYS QD 2.700 . 3.600 3.731 1.799 4.545 0.945 19 6 "[ . *1** * +-]" 1
500 1 39 LYS HA 1 39 LYS QG 2.700 . 3.600 2.585 2.211 3.365 . 0 0 "[ . 1 . 2]" 1
501 1 39 LYS HA 1 39 LYS QG 2.400 . 3.100 2.171 2.024 2.376 . 0 0 "[ . 1 . 2]" 1
502 1 39 LYS HB2 1 39 LYS QG 2.400 . 3.100 2.312 2.169 2.484 . 0 0 "[ . 1 . 2]" 1
503 1 39 LYS HB2 1 40 PHE HB3 2.500 . 3.300 2.692 1.722 3.516 0.216 11 0 "[ . 1 . 2]" 1
504 1 39 LYS HB2 1 40 PHE HB3 3.000 . 6.000 4.299 3.405 5.377 . 0 0 "[ . 1 . 2]" 1
505 1 39 LYS HB3 1 40 PHE H 3.300 . 4.700 3.762 2.904 4.202 . 0 0 "[ . 1 . 2]" 1
506 1 39 LYS QE 1 39 LYS HG2 3.300 . 4.700 2.649 2.178 3.213 . 0 0 "[ . 1 . 2]" 1
507 1 39 LYS QG 1 42 GLU QG 2.500 . 6.000 5.476 3.532 5.802 . 0 0 "[ . 1 . 2]" 1
508 1 40 PHE H 1 40 PHE HA 2.800 . 3.800 2.820 2.774 2.899 . 0 0 "[ . 1 . 2]" 1
509 1 40 PHE H 1 40 PHE HB2 2.400 . 3.100 2.369 2.188 2.485 . 0 0 "[ . 1 . 2]" 1
510 1 40 PHE H 1 40 PHE HB3 2.400 . 3.100 2.705 2.513 3.485 0.385 1 0 "[ . 1 . 2]" 1
511 1 40 PHE H 1 41 LEU H 2.200 . 2.800 2.565 2.290 2.739 . 0 0 "[ . 1 . 2]" 1
512 1 40 PHE HA 1 40 PHE HB2 2.300 . 2.900 2.563 2.474 3.009 0.109 1 0 "[ . 1 . 2]" 1
513 1 40 PHE HA 1 40 PHE HB3 2.500 . 3.300 2.978 2.450 3.021 . 0 0 "[ . 1 . 2]" 1
514 1 40 PHE HA 1 41 LEU H 3.000 . 4.100 3.311 3.221 3.383 . 0 0 "[ . 1 . 2]" 1
515 1 40 PHE HA 1 42 GLU QG 3.600 . 5.300 4.579 3.748 5.141 . 0 0 "[ . 1 . 2]" 1
516 1 40 PHE HA 1 43 GLU H 3.000 . 4.200 3.488 3.215 3.774 . 0 0 "[ . 1 . 2]" 1
517 1 40 PHE HA 1 43 GLU HB2 3.000 . 4.100 2.992 2.517 3.805 . 0 0 "[ . 1 . 2]" 1
518 1 40 PHE HA 1 79 PHE HZ 2.900 . 6.000 4.996 4.092 5.467 . 0 0 "[ . 1 . 2]" 1
519 1 40 PHE HB2 1 41 LEU H 3.500 . 5.000 4.046 3.333 4.255 . 0 0 "[ . 1 . 2]" 1
520 1 40 PHE HZ 1 44 HIS H 4.500 . 6.000 4.748 4.527 5.305 . 0 0 "[ . 1 . 2]" 1
521 1 41 LEU H 1 41 LEU HA 2.500 . 3.300 2.756 2.716 2.786 . 0 0 "[ . 1 . 2]" 1
522 1 41 LEU H 1 41 LEU HB2 1.900 . 2.400 2.020 1.941 2.120 . 0 0 "[ . 1 . 2]" 1
523 1 41 LEU H 1 41 LEU HB3 2.900 . 4.000 3.559 3.522 3.594 . 0 0 "[ . 1 . 2]" 1
524 1 41 LEU H 1 42 GLU H 2.400 . 3.100 2.767 2.616 3.073 . 0 0 "[ . 1 . 2]" 1
525 1 41 LEU HA 1 41 LEU HB2 2.800 . 3.800 3.016 3.006 3.025 . 0 0 "[ . 1 . 2]" 1
526 1 41 LEU HA 1 41 LEU HB3 2.400 . 3.100 2.477 2.441 2.535 . 0 0 "[ . 1 . 2]" 1
527 1 41 LEU HA 1 41 LEU HB3 2.500 . 3.300 2.400 2.331 2.479 . 0 0 "[ . 1 . 2]" 1
528 1 41 LEU HA 1 41 LEU HG 2.900 . 3.900 3.158 3.032 3.313 . 0 0 "[ . 1 . 2]" 1
529 1 41 LEU HA 1 48 GLU HA 3.600 . 4.200 4.084 3.628 4.820 0.620 6 1 "[ .+ 1 . 2]" 1
530 1 41 LEU HA 1 48 GLU QG 3.300 . 4.700 4.784 4.172 5.489 0.789 13 4 "[ - 1 + . ** 2]" 1
531 1 41 LEU HB3 1 42 GLU H 3.000 . 4.100 3.811 3.224 4.029 . 0 0 "[ . 1 . 2]" 1
532 1 41 LEU HB3 1 48 GLU HA 3.600 . 5.200 3.552 2.269 4.250 . 0 0 "[ . 1 . 2]" 1
533 1 41 LEU HB3 1 48 GLU HB2 3.200 . 6.000 4.237 2.439 5.735 . 0 0 "[ . 1 . 2]" 1
534 1 41 LEU HB3 1 48 GLU QG 2.700 . 3.600 3.144 2.119 3.505 . 0 0 "[ . 1 . 2]" 1
535 1 41 LEU HG 1 42 GLU H 2.300 . 2.900 2.634 2.306 2.837 . 0 0 "[ . 1 . 2]" 1
536 1 41 LEU HG 1 42 GLU QG 2.700 . 6.000 5.099 4.550 5.770 . 0 0 "[ . 1 . 2]" 1
537 1 42 GLU H 1 42 GLU HA 2.400 . 3.100 2.891 2.831 2.920 . 0 0 "[ . 1 . 2]" 1
538 1 42 GLU H 1 42 GLU QB 2.200 . 2.800 2.656 2.315 2.877 0.077 14 0 "[ . 1 . 2]" 1
539 1 42 GLU H 1 42 GLU QG 2.200 . 2.800 1.999 1.756 2.355 . 0 0 "[ . 1 . 2]" 1
540 1 42 GLU H 1 43 GLU H 2.100 . 2.700 2.262 2.000 2.512 . 0 0 "[ . 1 . 2]" 1
541 1 42 GLU H 1 44 HIS H 3.800 . 5.600 3.935 3.690 4.448 . 0 0 "[ . 1 . 2]" 1
542 1 42 GLU HA 1 42 GLU HB2 2.300 . 3.000 2.718 2.455 3.026 0.026 11 0 "[ . 1 . 2]" 1
543 1 42 GLU HA 1 42 GLU HB2 2.200 . 2.800 2.460 2.209 2.696 . 0 0 "[ . 1 . 2]" 1
544 1 42 GLU HA 1 42 GLU HB3 2.400 . 3.100 2.401 2.237 2.505 . 0 0 "[ . 1 . 2]" 1
545 1 42 GLU HA 1 42 GLU HB3 2.300 . 3.000 2.221 2.126 2.347 . 0 0 "[ . 1 . 2]" 1
546 1 42 GLU HA 1 42 GLU QG 3.100 . 4.300 3.068 2.511 3.450 . 0 0 "[ . 1 . 2]" 1
547 1 42 GLU HA 1 42 GLU QG 2.500 . 3.300 2.431 2.093 2.720 . 0 0 "[ . 1 . 2]" 1
548 1 42 GLU HA 1 43 GLU H 2.500 . 3.300 2.750 2.720 2.798 . 0 0 "[ . 1 . 2]" 1
549 1 42 GLU HA 1 44 HIS H 2.900 . 4.000 3.243 2.919 3.380 . 0 0 "[ . 1 . 2]" 1
550 1 42 GLU QB 1 43 GLU H 2.400 . 3.100 2.327 2.032 2.516 . 0 0 "[ . 1 . 2]" 1
551 1 42 GLU HB3 1 42 GLU QG 2.300 . 2.900 2.072 1.979 2.157 . 0 0 "[ . 1 . 2]" 1
552 1 42 GLU QG 1 43 GLU H 2.700 . 3.600 2.940 2.032 3.762 0.162 8 0 "[ . 1 . 2]" 1
553 1 43 GLU H 1 44 HIS H 2.200 . 2.800 2.083 1.837 2.469 . 0 0 "[ . 1 . 2]" 1
554 1 43 GLU HA 1 43 GLU HB2 2.700 . 3.600 2.881 2.492 3.026 . 0 0 "[ . 1 . 2]" 1
555 1 43 GLU HA 1 43 GLU QG 2.500 . 3.300 2.168 2.011 2.278 . 0 0 "[ . 1 . 2]" 1
556 1 43 GLU HB2 1 44 HIS H 3.200 . 4.500 2.544 2.336 3.071 . 0 0 "[ . 1 . 2]" 1
557 1 44 HIS H 1 44 HIS HD1 4.100 . 6.000 4.824 4.592 5.010 . 0 0 "[ . 1 . 2]" 1
558 1 44 HIS HA 1 44 HIS HB3 2.300 . 3.000 2.220 2.186 2.267 . 0 0 "[ . 1 . 2]" 1
559 1 45 PRO HA 1 45 PRO HB3 2.800 . 3.800 2.288 2.245 2.333 . 0 0 "[ . 1 . 2]" 1
560 1 45 PRO HA 1 45 PRO HG2 3.200 . 4.500 3.889 3.819 4.072 . 0 0 "[ . 1 . 2]" 1
561 1 45 PRO HA 1 45 PRO HG3 3.100 . 4.300 3.430 2.853 4.038 . 0 0 "[ . 1 . 2]" 1
562 1 45 PRO HB2 1 45 PRO HD2 4.200 . 6.000 3.501 2.884 4.051 . 0 0 "[ . 1 . 2]" 1
563 1 45 PRO HD2 1 45 PRO HG2 3.000 . 4.100 2.301 2.266 2.326 . 0 0 "[ . 1 . 2]" 1
564 1 47 GLY H 1 48 GLU H 4.400 . 6.000 3.971 2.149 4.624 . 0 0 "[ . 1 . 2]" 1
565 1 47 GLY HA2 1 48 GLU H 2.600 . 3.400 2.508 2.041 3.446 0.046 7 0 "[ . 1 . 2]" 1
566 1 47 GLY HA3 1 48 GLU H 2.800 . 3.800 2.821 2.110 3.586 . 0 0 "[ . 1 . 2]" 1
567 1 48 GLU H 1 48 GLU QB 2.800 . 3.800 2.614 2.147 3.047 . 0 0 "[ . 1 . 2]" 1
568 1 48 GLU H 1 49 GLU H 2.600 . 3.400 2.856 1.885 4.053 0.653 18 4 "[-* . 1 * . + 2]" 1
569 1 48 GLU H 1 50 VAL H 3.900 . 5.800 3.832 2.599 4.915 . 0 0 "[ . 1 . 2]" 1
570 1 48 GLU HA 1 48 GLU HB2 2.400 . 3.100 2.501 2.357 2.658 . 0 0 "[ . 1 . 2]" 1
571 1 48 GLU HA 1 48 GLU HB2 2.200 . 2.800 2.225 2.124 2.519 . 0 0 "[ . 1 . 2]" 1
572 1 48 GLU HA 1 48 GLU HB3 2.700 . 3.600 2.957 2.281 3.041 . 0 0 "[ . 1 . 2]" 1
573 1 48 GLU HA 1 48 GLU HG2 2.900 . 3.900 2.973 2.425 4.200 0.300 11 0 "[ . 1 . 2]" 1
574 1 48 GLU HA 1 49 GLU H 3.300 . 4.600 3.507 3.420 3.552 . 0 0 "[ . 1 . 2]" 1
575 1 48 GLU HA 1 51 LEU QB 4.600 . 6.000 3.627 2.648 4.436 . 0 0 "[ . 1 . 2]" 1
576 1 48 GLU HA 1 51 LEU HG 2.800 . 3.800 3.768 2.916 4.606 0.806 17 4 "[ * . - * . + 2]" 1
577 1 48 GLU QB 1 49 GLU H 2.700 . 3.600 2.186 1.749 3.433 0.051 2 0 "[ . 1 . 2]" 1
578 1 48 GLU QG 1 49 GLU HA 3.100 . 4.300 3.693 3.030 4.297 . 0 0 "[ . 1 . 2]" 1
579 1 48 GLU HG2 1 49 GLU HA 3.200 . 4.500 3.940 3.066 5.464 0.964 5 2 "[ + 1- . 2]" 1
580 1 49 GLU H 1 49 GLU HA 2.600 . 3.400 2.809 2.721 2.916 . 0 0 "[ . 1 . 2]" 1
581 1 49 GLU H 1 49 GLU HB2 2.200 . 2.800 2.805 2.212 3.600 0.800 13 6 "[ **.- 1**+ . 2]" 1
582 1 49 GLU H 1 49 GLU HB3 2.600 . 3.400 2.267 1.695 2.670 0.105 6 0 "[ . 1 . 2]" 1
583 1 49 GLU H 1 50 VAL H 2.600 . 3.500 2.658 2.260 2.914 . 0 0 "[ . 1 . 2]" 1
584 1 49 GLU H 1 51 LEU H 4.300 . 6.000 4.093 3.887 4.352 . 0 0 "[ . 1 . 2]" 1
585 1 49 GLU H 1 52 ARG QB 2.600 . 6.000 5.443 4.487 6.122 0.122 14 0 "[ . 1 . 2]" 1
586 1 49 GLU HA 1 49 GLU HB2 2.500 . 3.300 2.644 2.423 3.023 . 0 0 "[ . 1 . 2]" 1
587 1 49 GLU HA 1 49 GLU HB3 2.200 . 2.800 2.672 2.361 3.032 0.232 20 0 "[ . 1 . 2]" 1
588 1 49 GLU HA 1 49 GLU HG2 2.700 . 3.600 3.102 2.413 3.482 . 0 0 "[ . 1 . 2]" 1
589 1 49 GLU HA 1 52 ARG H 2.900 . 4.000 3.919 3.334 4.239 0.239 10 0 "[ . 1 . 2]" 1
590 1 49 GLU HA 1 52 ARG QB 2.900 . 3.900 3.650 2.355 4.483 0.583 14 1 "[ . 1 +. 2]" 1
591 1 49 GLU HA 1 52 ARG QD 2.800 . 3.800 3.156 2.124 3.914 0.114 6 0 "[ . 1 . 2]" 1
592 1 49 GLU QB 1 50 VAL H 2.900 . 3.900 2.751 2.221 3.550 . 0 0 "[ . 1 . 2]" 1
593 1 50 VAL H 1 50 VAL HA 2.600 . 3.500 2.874 2.798 2.926 . 0 0 "[ . 1 . 2]" 1
594 1 50 VAL H 1 50 VAL HB 2.700 . 3.600 3.179 2.463 3.711 0.111 5 0 "[ . 1 . 2]" 1
595 1 50 VAL H 1 51 LEU H 2.700 . 3.600 2.527 2.296 2.805 . 0 0 "[ . 1 . 2]" 1
596 1 50 VAL H 1 52 ARG H 4.200 . 6.000 4.245 3.913 4.535 . 0 0 "[ . 1 . 2]" 1
597 1 50 VAL HA 1 50 VAL HB 2.300 . 2.900 2.644 2.429 3.035 0.135 12 0 "[ . 1 . 2]" 1
598 1 50 VAL HA 1 51 LEU H 3.600 . 5.200 3.331 2.853 3.470 . 0 0 "[ . 1 . 2]" 1
599 1 51 LEU H 1 51 LEU QB . . 3.800 2.378 2.141 2.498 . 0 0 "[ . 1 . 2]" 1
600 1 51 LEU H 1 51 LEU HG 2.900 . 4.000 2.998 2.157 4.405 0.405 2 0 "[ . 1 . 2]" 1
601 1 51 LEU H 1 52 ARG H 2.300 . 3.000 2.359 1.922 2.669 . 0 0 "[ . 1 . 2]" 1
602 1 51 LEU H 1 52 ARG QB 4.000 . 6.000 4.247 3.668 4.666 . 0 0 "[ . 1 . 2]" 1
603 1 51 LEU H 1 54 GLN H 4.000 . 6.000 5.429 4.680 5.924 . 0 0 "[ . 1 . 2]" 1
604 1 51 LEU HA 1 51 LEU QB 2.500 . 3.300 2.386 2.152 2.505 . 0 0 "[ . 1 . 2]" 1
605 1 51 LEU HA 1 52 ARG H 3.200 . 4.500 3.465 3.361 3.520 . 0 0 "[ . 1 . 2]" 1
606 1 51 LEU HA 1 52 ARG QB 4.300 . 6.000 4.055 3.151 4.895 . 0 0 "[ . 1 . 2]" 1
607 1 51 LEU HA 1 54 GLN H 3.300 . 4.700 3.897 3.494 4.191 . 0 0 "[ . 1 . 2]" 1
608 1 51 LEU HA 1 54 GLN HB2 3.600 . 5.300 3.826 2.966 5.534 0.234 17 0 "[ . 1 . 2]" 1
609 1 51 LEU HA 1 54 GLN QG 4.000 . 6.000 4.297 3.178 5.658 . 0 0 "[ . 1 . 2]" 1
610 1 51 LEU QB 1 52 ARG H . . 3.100 2.571 2.003 3.465 0.365 10 0 "[ . 1 . 2]" 1
611 1 51 LEU QB 1 52 ARG QD 4.100 . 6.000 5.235 4.089 6.196 0.196 17 0 "[ . 1 . 2]" 1
612 1 52 ARG H 1 52 ARG HA 2.600 . 3.500 2.742 2.241 2.810 . 0 0 "[ . 1 . 2]" 1
613 1 52 ARG H 1 52 ARG QB 2.300 . 3.000 2.288 2.007 2.834 . 0 0 "[ . 1 . 2]" 1
614 1 52 ARG H 1 52 ARG QD 3.900 . 5.800 3.952 3.244 4.908 . 0 0 "[ . 1 . 2]" 1
615 1 52 ARG H 1 52 ARG HG3 2.700 . 3.600 2.894 1.797 4.488 0.888 18 3 "[ *.- 1 . + 2]" 1
616 1 52 ARG H 1 53 GLU H 2.400 . 3.100 2.708 2.506 2.854 . 0 0 "[ . 1 . 2]" 1
617 1 52 ARG H 1 53 GLU H 2.400 . 3.100 2.507 1.824 2.819 . 0 0 "[ . 1 . 2]" 1
618 1 52 ARG H 1 54 GLN H 4.300 . 6.000 4.311 4.072 4.530 . 0 0 "[ . 1 . 2]" 1
619 1 52 ARG HA 1 52 ARG QB 2.200 . 3.800 2.354 2.156 2.485 . 0 0 "[ . 1 . 2]" 1
620 1 52 ARG HA 1 52 ARG QB 2.300 . 3.000 2.187 2.115 2.308 . 0 0 "[ . 1 . 2]" 1
621 1 52 ARG HA 1 52 ARG QD 3.400 . 4.800 4.110 3.906 4.263 . 0 0 "[ . 1 . 2]" 1
622 1 52 ARG HA 1 52 ARG HG2 2.400 . 3.100 2.870 2.396 3.857 0.757 2 3 "[ + . 1* .- 2]" 1
623 1 52 ARG HA 1 52 ARG HG3 2.900 . 3.900 2.960 2.304 3.628 . 0 0 "[ . 1 . 2]" 1
624 1 52 ARG HA 1 52 ARG HG3 2.700 . 3.600 2.675 1.950 3.280 . 0 0 "[ . 1 . 2]" 1
625 1 52 ARG QB 1 52 ARG QD 2.600 . 3.500 2.267 2.067 2.496 . 0 0 "[ . 1 . 2]" 1
626 1 52 ARG QB 1 52 ARG HD3 2.100 . 2.600 2.106 2.023 2.149 . 0 0 "[ . 1 . 2]" 1
627 1 52 ARG QB 1 52 ARG HG2 2.000 . 2.500 2.006 1.960 2.055 . 0 0 "[ . 1 . 2]" 1
628 1 52 ARG QB 1 53 GLU HA 2.500 . 6.000 4.018 3.514 5.273 . 0 0 "[ . 1 . 2]" 1
629 1 52 ARG QB 1 55 ALA H 3.800 . 5.600 3.666 2.652 3.901 . 0 0 "[ . 1 . 2]" 1
630 1 52 ARG QD 1 52 ARG HG2 2.400 . 3.100 2.317 2.167 2.447 . 0 0 "[ . 1 . 2]" 1
631 1 52 ARG QD 1 52 ARG HG3 2.200 . 2.800 2.252 2.159 2.373 . 0 0 "[ . 1 . 2]" 1
632 1 52 ARG HG2 1 52 ARG HG3 1.700 . 2.200 1.743 1.711 1.760 . 0 0 "[ . 1 . 2]" 1
633 1 53 GLU H 1 53 GLU HA 2.500 . 3.300 2.799 2.230 2.931 . 0 0 "[ . 1 . 2]" 1
634 1 53 GLU H 1 53 GLU QB 2.100 . 2.600 2.194 2.069 2.590 . 0 0 "[ . 1 . 2]" 1
635 1 53 GLU H 1 53 GLU QG 3.400 . 4.800 3.693 1.912 4.088 0.088 5 0 "[ . 1 . 2]" 1
636 1 53 GLU H 1 54 GLN H 2.400 . 3.100 2.524 2.075 2.868 . 0 0 "[ . 1 . 2]" 1
637 1 53 GLU H 1 55 ALA H 3.900 . 5.800 3.779 3.441 4.344 . 0 0 "[ . 1 . 2]" 1
638 1 53 GLU HA 1 53 GLU HB2 2.300 . 3.000 2.570 2.417 3.027 0.027 10 0 "[ . 1 . 2]" 1
639 1 53 GLU HA 1 53 GLU QB 2.200 . 2.800 2.371 2.273 2.461 . 0 0 "[ . 1 . 2]" 1
640 1 53 GLU HA 1 53 GLU HB3 2.800 . 3.800 2.932 2.353 3.032 . 0 0 "[ . 1 . 2]" 1
641 1 53 GLU HA 1 53 GLU HG2 3.200 . 4.500 3.303 2.662 3.849 . 0 0 "[ . 1 . 2]" 1
642 1 53 GLU HA 1 53 GLU HG3 2.400 . 3.100 2.863 2.421 3.829 0.729 5 2 "[ + - . 2]" 1
643 1 53 GLU QB 1 54 GLN H 2.700 . 3.600 2.475 2.168 3.286 . 0 0 "[ . 1 . 2]" 1
644 1 53 GLU HB3 1 53 GLU HG2 2.200 . 2.800 2.467 2.287 3.001 0.201 5 0 "[ . 1 . 2]" 1
645 1 53 GLU HG2 1 54 GLN QG 3.300 . 6.000 4.101 2.423 5.719 . 0 0 "[ . 1 . 2]" 1
646 1 54 GLN H 1 54 GLN HA 2.600 . 3.500 2.906 2.310 2.953 . 0 0 "[ . 1 . 2]" 1
647 1 54 GLN H 1 54 GLN HB2 2.400 . 3.100 2.511 2.265 3.256 0.156 17 0 "[ . 1 . 2]" 1
648 1 54 GLN H 1 54 GLN HB3 3.200 . 4.500 3.670 3.534 4.101 . 0 0 "[ . 1 . 2]" 1
649 1 54 GLN H 1 55 ALA H 2.000 . 2.500 2.089 1.813 2.410 . 0 0 "[ . 1 . 2]" 1
650 1 54 GLN HA 1 54 GLN HB2 2.600 . 3.400 3.019 2.956 3.035 . 0 0 "[ . 1 . 2]" 1
651 1 54 GLN HA 1 54 GLN HB3 2.300 . 3.000 2.503 2.419 2.721 . 0 0 "[ . 1 . 2]" 1
652 1 54 GLN HA 1 54 GLN HE21 3.700 . 5.500 3.715 2.515 4.883 . 0 0 "[ . 1 . 2]" 1
653 1 54 GLN HA 1 54 GLN HE22 4.400 . 6.000 3.999 3.255 4.916 . 0 0 "[ . 1 . 2]" 1
654 1 54 GLN HA 1 54 GLN QG 3.200 . 3.700 2.876 2.396 3.045 . 0 0 "[ . 1 . 2]" 1
655 1 54 GLN HA 1 54 GLN QG 2.700 . 3.600 2.590 1.985 2.923 . 0 0 "[ . 1 . 2]" 1
656 1 54 GLN HA 1 55 ALA H 2.900 . 3.900 3.266 2.866 3.417 . 0 0 "[ . 1 . 2]" 1
657 1 54 GLN HA 1 55 ALA HA 3.500 . 5.100 4.726 4.615 4.831 . 0 0 "[ . 1 . 2]" 1
658 1 54 GLN HB2 1 54 GLN QG 2.300 . 3.000 2.177 2.106 2.363 . 0 0 "[ . 1 . 2]" 1
659 1 54 GLN HB2 1 55 ALA HA 3.800 . 5.600 4.429 4.233 4.773 . 0 0 "[ . 1 . 2]" 1
660 1 54 GLN HB3 1 54 GLN QG 2.500 . 3.100 2.332 2.123 2.427 . 0 0 "[ . 1 . 2]" 1
661 1 54 GLN HB3 1 59 ALA HA 3.600 . 5.200 3.032 1.963 4.293 0.037 20 0 "[ . 1 . 2]" 1
662 1 54 GLN HE21 1 54 GLN QG 3.400 . 3.800 2.346 2.140 2.821 . 0 0 "[ . 1 . 2]" 1
663 1 54 GLN QG 1 59 ALA HA 3.600 . 5.200 4.245 2.951 4.885 . 0 0 "[ . 1 . 2]" 1
664 1 55 ALA H 1 55 ALA HA 2.300 . 3.000 2.875 2.786 2.933 . 0 0 "[ . 1 . 2]" 1
665 1 55 ALA H 1 56 GLY H 3.700 . 5.400 4.509 3.838 4.604 . 0 0 "[ . 1 . 2]" 1
666 1 55 ALA HA 1 56 GLY H 2.100 . 2.600 2.242 2.119 2.433 . 0 0 "[ . 1 . 2]" 1
667 1 56 GLY H 1 56 GLY QA 2.400 . 3.100 2.337 2.225 2.485 . 0 0 "[ . 1 . 2]" 1
668 1 56 GLY H 1 57 GLY H 2.300 . 2.900 2.494 1.991 3.187 0.287 1 0 "[ . 1 . 2]" 1
669 1 56 GLY QA 1 57 GLY H 2.500 . 3.300 2.512 2.170 2.606 . 0 0 "[ . 1 . 2]" 1
670 1 57 GLY H 1 57 GLY HA3 2.400 . 3.100 2.697 2.402 2.946 . 0 0 "[ . 1 . 2]" 1
671 1 57 GLY H 1 58 ASP H 3.300 . 4.600 4.170 3.948 4.428 . 0 0 "[ . 1 . 2]" 1
672 1 57 GLY H 1 59 ALA HA 3.100 . 6.000 5.893 5.103 6.217 0.217 5 0 "[ . 1 . 2]" 1
673 1 57 GLY HA2 1 58 ASP H 2.400 . 3.100 2.937 2.425 3.149 0.049 16 0 "[ . 1 . 2]" 1
674 1 57 GLY HA3 1 58 ASP H 2.700 . 3.600 2.324 2.159 2.746 . 0 0 "[ . 1 . 2]" 1
675 1 58 ASP H 1 58 ASP HB2 2.700 . 3.600 2.777 2.338 3.676 0.076 4 0 "[ . 1 . 2]" 1
676 1 58 ASP H 1 58 ASP HB3 2.800 . 3.800 3.107 2.546 4.111 0.311 12 0 "[ . 1 . 2]" 1
677 1 58 ASP HA 1 58 ASP HB2 2.900 . 4.000 2.703 2.368 3.026 . 0 0 "[ . 1 . 2]" 1
678 1 58 ASP HA 1 58 ASP HB3 2.900 . 3.900 2.730 2.391 3.026 . 0 0 "[ . 1 . 2]" 1
679 1 58 ASP HB2 1 59 ALA H 4.400 . 6.000 3.995 2.695 4.616 . 0 0 "[ . 1 . 2]" 1
680 1 58 ASP HB3 1 59 ALA H 3.900 . 5.800 3.831 3.403 4.327 . 0 0 "[ . 1 . 2]" 1
681 1 58 ASP HB3 1 59 ALA HA 3.700 . 5.400 4.450 3.372 5.544 0.144 18 0 "[ . 1 . 2]" 1
682 1 58 ASP HB3 1 60 THR H 4.400 . 6.000 3.582 2.343 4.809 . 0 0 "[ . 1 . 2]" 1
683 1 59 ALA H 1 60 THR H 2.500 . 3.300 2.334 1.945 2.956 . 0 0 "[ . 1 . 2]" 1
684 1 59 ALA HA 1 60 THR HB 3.900 . 5.800 5.517 5.116 5.711 . 0 0 "[ . 1 . 2]" 1
685 1 59 ALA HA 1 61 GLU H 3.000 . 4.100 3.331 3.116 3.736 . 0 0 "[ . 1 . 2]" 1
686 1 59 ALA HA 1 62 ASN QB 2.300 . 6.000 5.155 4.408 5.908 . 0 0 "[ . 1 . 2]" 1
687 1 60 THR H 1 60 THR HA 2.700 . 3.600 2.832 2.752 2.905 . 0 0 "[ . 1 . 2]" 1
688 1 60 THR H 1 60 THR HB 2.800 . 3.700 2.514 2.310 2.662 . 0 0 "[ . 1 . 2]" 1
689 1 60 THR H 1 61 GLU QB 4.600 . 6.000 4.606 4.217 5.142 . 0 0 "[ . 1 . 2]" 1
690 1 60 THR HA 1 60 THR HB 2.800 . 3.800 2.492 2.408 2.626 . 0 0 "[ . 1 . 2]" 1
691 1 60 THR HA 1 60 THR HB 2.400 . 3.100 2.241 1.869 2.397 . 0 0 "[ . 1 . 2]" 1
692 1 60 THR HA 1 61 GLU H 2.300 . 3.000 2.633 2.488 2.681 . 0 0 "[ . 1 . 2]" 1
693 1 60 THR HA 1 61 GLU HG2 4.000 . 6.000 4.643 3.994 5.217 . 0 0 "[ . 1 . 2]" 1
694 1 60 THR HB 1 62 ASN QD 3.100 . 6.000 8.580 5.535 9.514 3.514 3 19 [**+-.***************] 1
695 1 60 THR HB 1 63 PHE HB3 3.400 . 4.900 4.108 3.474 4.847 . 0 0 "[ . 1 . 2]" 1
696 1 61 GLU H 1 61 GLU QB 2.200 . 2.800 2.358 2.112 2.826 0.026 16 0 "[ . 1 . 2]" 1
697 1 61 GLU H 1 61 GLU QG 3.100 . 4.300 3.298 1.857 4.032 0.043 5 0 "[ . 1 . 2]" 1
698 1 61 GLU H 1 62 ASN H 2.500 . 3.300 2.805 2.155 3.046 . 0 0 "[ . 1 . 2]" 1
699 1 61 GLU H 1 62 ASN QB 3.100 . 4.300 3.509 3.236 3.581 . 0 0 "[ . 1 . 2]" 1
700 1 61 GLU HA 1 61 GLU HB3 2.500 . 3.300 2.824 2.372 3.035 . 0 0 "[ . 1 . 2]" 1
701 1 61 GLU HA 1 62 ASN H 3.300 . 4.700 3.528 3.498 3.556 . 0 0 "[ . 1 . 2]" 1
702 1 61 GLU HA 1 63 PHE H 4.000 . 6.000 4.176 3.774 4.458 . 0 0 "[ . 1 . 2]" 1
703 1 61 GLU HA 1 64 GLU H 3.300 . 4.600 3.888 3.531 4.297 . 0 0 "[ . 1 . 2]" 1
704 1 61 GLU HA 1 64 GLU QB 3.100 . 4.300 3.631 3.137 4.110 . 0 0 "[ . 1 . 2]" 1
705 1 61 GLU HA 1 65 ASP H 3.800 . 5.600 4.996 4.134 5.637 0.037 8 0 "[ . 1 . 2]" 1
706 1 61 GLU HB2 1 62 ASN H 2.400 . 3.100 2.202 2.013 2.534 . 0 0 "[ . 1 . 2]" 1
707 1 61 GLU HG2 1 62 ASN H 2.900 . 4.000 2.276 2.164 2.560 . 0 0 "[ . 1 . 2]" 1
708 1 62 ASN H 1 62 ASN HA 2.700 . 3.600 2.825 2.743 2.885 . 0 0 "[ . 1 . 2]" 1
709 1 62 ASN H 1 63 PHE H 2.500 . 3.300 2.501 2.264 2.720 . 0 0 "[ . 1 . 2]" 1
710 1 62 ASN H 1 63 PHE HB2 3.800 . 5.600 4.565 4.158 4.951 . 0 0 "[ . 1 . 2]" 1
711 1 62 ASN H 1 63 PHE HB3 4.700 . 6.000 4.745 4.430 5.139 . 0 0 "[ . 1 . 2]" 1
712 1 62 ASN HA 1 62 ASN QB 2.200 . 2.800 2.345 2.173 2.459 . 0 0 "[ . 1 . 2]" 1
713 1 62 ASN HA 1 62 ASN QB 2.300 . 2.900 2.110 2.017 2.171 . 0 0 "[ . 1 . 2]" 1
714 1 62 ASN HA 1 62 ASN QD 3.800 . 5.600 3.040 1.839 4.023 0.161 2 0 "[ . 1 . 2]" 1
715 1 62 ASN HA 1 63 PHE H 3.200 . 4.500 3.416 3.228 3.470 . 0 0 "[ . 1 . 2]" 1
716 1 62 ASN HA 1 64 GLU H 4.000 . 6.000 4.130 3.747 4.428 . 0 0 "[ . 1 . 2]" 1
717 1 62 ASN HA 1 65 ASP H 3.000 . 4.100 3.617 3.178 3.947 . 0 0 "[ . 1 . 2]" 1
718 1 62 ASN HA 1 65 ASP HB2 2.800 . 3.800 3.754 3.236 4.017 0.217 6 0 "[ . 1 . 2]" 1
719 1 62 ASN HA 1 65 ASP HB3 2.700 . 3.600 2.897 2.148 3.317 . 0 0 "[ . 1 . 2]" 1
720 1 62 ASN QB 1 62 ASN QD 3.100 . 4.000 2.278 2.127 2.705 . 0 0 "[ . 1 . 2]" 1
721 1 62 ASN QB 1 63 PHE H 3.700 . 5.400 2.873 2.582 3.578 . 0 0 "[ . 1 . 2]" 1
722 1 62 ASN QB 1 63 PHE H 2.900 . 4.000 2.830 2.574 3.460 . 0 0 "[ . 1 . 2]" 1
723 1 63 PHE H 1 63 PHE HB2 2.600 . 3.400 2.297 2.082 2.495 . 0 0 "[ . 1 . 2]" 1
724 1 63 PHE H 1 63 PHE HB3 2.600 . 3.400 2.513 2.346 2.713 . 0 0 "[ . 1 . 2]" 1
725 1 63 PHE H 1 64 GLU H 2.700 . 3.600 2.441 2.005 2.673 . 0 0 "[ . 1 . 2]" 1
726 1 63 PHE HB3 1 64 GLU H 3.200 . 4.500 2.865 2.612 3.391 . 0 0 "[ . 1 . 2]" 1
727 1 64 GLU H 1 64 GLU HA 3.000 . 4.100 2.900 2.817 2.948 . 0 0 "[ . 1 . 2]" 1
728 1 64 GLU H 1 64 GLU QB 3.000 . 3.600 2.411 1.989 2.893 . 0 0 "[ . 1 . 2]" 1
729 1 64 GLU H 1 64 GLU HG2 2.800 . 3.800 2.964 2.165 3.944 0.144 6 0 "[ . 1 . 2]" 1
730 1 64 GLU H 1 64 GLU HG3 2.800 . 3.800 3.304 2.349 4.211 0.411 6 0 "[ . 1 . 2]" 1
731 1 64 GLU HA 1 64 GLU QB 2.600 . 3.300 2.367 2.178 2.524 . 0 0 "[ . 1 . 2]" 1
732 1 64 GLU HA 1 64 GLU HG2 3.200 . 4.500 2.940 2.272 3.800 . 0 0 "[ . 1 . 2]" 1
733 1 64 GLU HA 1 64 GLU HG3 2.900 . 4.000 3.458 2.612 3.857 . 0 0 "[ . 1 . 2]" 1
734 1 64 GLU HA 1 65 ASP H 3.200 . 4.500 3.355 3.005 3.483 . 0 0 "[ . 1 . 2]" 1
735 1 64 GLU QB 1 64 GLU HG2 2.600 . 3.400 2.348 2.144 2.457 . 0 0 "[ . 1 . 2]" 1
736 1 64 GLU QB 1 64 GLU HG3 3.000 . 3.300 2.232 2.148 2.390 . 0 0 "[ . 1 . 2]" 1
737 1 64 GLU QB 1 65 ASP H 3.200 . 4.500 3.075 2.501 3.988 . 0 0 "[ . 1 . 2]" 1
738 1 64 GLU QB 1 65 ASP HB2 2.300 . 6.000 4.105 3.637 5.086 . 0 0 "[ . 1 . 2]" 1
739 1 65 ASP H 1 65 ASP HA 2.600 . 3.500 2.909 2.809 2.945 . 0 0 "[ . 1 . 2]" 1
740 1 65 ASP H 1 65 ASP HB2 2.400 . 3.200 2.732 2.453 3.063 . 0 0 "[ . 1 . 2]" 1
741 1 65 ASP H 1 65 ASP HB3 2.400 . 3.100 2.521 2.335 2.817 . 0 0 "[ . 1 . 2]" 1
742 1 65 ASP H 1 66 VAL H 2.700 . 3.600 2.647 2.087 3.670 0.070 15 0 "[ . 1 . 2]" 1
743 1 65 ASP H 1 66 VAL H 2.600 . 3.400 2.273 1.782 3.389 0.018 7 0 "[ . 1 . 2]" 1
744 1 65 ASP HA 1 65 ASP HB2 2.400 . 3.100 2.485 2.398 2.634 . 0 0 "[ . 1 . 2]" 1
745 1 65 ASP HA 1 65 ASP HB3 2.600 . 3.400 3.027 3.002 3.040 . 0 0 "[ . 1 . 2]" 1
746 1 66 VAL H 1 67 GLY H 2.900 . 4.000 2.884 1.863 4.170 0.170 8 0 "[ . 1 . 2]" 1
747 1 66 VAL HA 1 67 GLY H 3.000 . 4.100 2.847 2.105 3.587 . 0 0 "[ . 1 . 2]" 1
748 1 67 GLY H 1 67 GLY HA2 2.600 . 3.400 2.652 2.291 2.946 . 0 0 "[ . 1 . 2]" 1
749 1 67 GLY H 1 67 GLY HA3 2.400 . 3.100 2.632 2.276 2.950 . 0 0 "[ . 1 . 2]" 1
750 1 67 GLY H 1 68 HIS H 3.900 . 5.800 3.841 1.997 4.589 0.003 12 0 "[ . 1 . 2]" 1
751 1 67 GLY HA2 1 68 HIS H 3.700 . 5.400 2.615 2.075 3.550 . 0 0 "[ . 1 . 2]" 1
752 1 69 SER H 1 69 SER HB2 3.900 . 5.800 3.544 2.464 3.906 . 0 0 "[ . 1 . 2]" 1
753 1 69 SER H 1 69 SER HB3 3.400 . 4.800 3.102 2.628 3.772 . 0 0 "[ . 1 . 2]" 1
754 1 69 SER H 1 70 THR H 4.300 . 6.000 4.098 2.890 4.602 . 0 0 "[ . 1 . 2]" 1
755 1 69 SER HA 1 69 SER HB2 2.000 . 2.500 2.569 2.373 2.974 0.474 20 0 "[ . 1 . 2]" 1
756 1 69 SER HA 1 69 SER HB3 2.000 . 2.500 2.422 2.278 2.971 0.471 7 0 "[ . 1 . 2]" 1
757 1 69 SER HA 1 70 THR H 2.900 . 4.000 2.675 2.241 2.931 . 0 0 "[ . 1 . 2]" 1
758 1 69 SER HA 1 71 ASP HB2 3.100 . 6.000 5.823 5.231 6.440 0.440 13 0 "[ . 1 . 2]" 1
759 1 69 SER HB2 1 70 THR H 2.900 . 3.900 2.403 1.785 3.514 0.115 3 0 "[ . 1 . 2]" 1
760 1 69 SER HB3 1 71 ASP H 3.800 . 5.600 4.354 3.124 4.997 . 0 0 "[ . 1 . 2]" 1
761 1 70 THR H 1 70 THR HA 2.400 . 3.100 2.663 2.264 2.867 . 0 0 "[ . 1 . 2]" 1
762 1 70 THR H 1 71 ASP H 3.600 . 5.200 3.183 2.550 4.162 . 0 0 "[ . 1 . 2]" 1
763 1 70 THR H 1 71 ASP QB 4.500 . 6.000 4.792 4.235 5.369 . 0 0 "[ . 1 . 2]" 1
764 1 70 THR HA 1 73 ARG QD 2.600 . 3.500 2.280 1.796 3.210 . 0 0 "[ . 1 . 2]" 1
765 1 70 THR HA 1 73 ARG HB2 2.500 . 3.300 2.284 2.095 2.395 . 0 0 "[ . 1 . 2]" 1
766 1 70 THR HA 1 73 ARG HB3 2.700 . 6.000 3.925 2.214 4.999 . 0 0 "[ . 1 . 2]" 1
767 1 70 THR HA 1 73 ARG QD 2.800 . 2.800 2.294 1.797 3.281 0.481 20 0 "[ . 1 . 2]" 1
768 1 70 THR HA 1 73 ARG HG2 3.400 . 4.800 4.167 2.577 5.433 0.633 20 1 "[ . 1 . +]" 1
769 1 70 THR HB 1 71 ASP H 2.300 . 3.000 2.541 2.018 2.872 . 0 0 "[ . 1 . 2]" 1
770 1 71 ASP H 1 72 ALA H 2.600 . 3.400 2.779 2.141 3.018 . 0 0 "[ . 1 . 2]" 1
771 1 71 ASP HA 1 71 ASP HB2 2.300 . 6.000 2.727 2.435 3.024 . 0 0 "[ . 1 . 2]" 1
772 1 71 ASP HA 1 71 ASP HB3 2.600 . 3.400 2.763 2.339 3.040 . 0 0 "[ . 1 . 2]" 1
773 1 71 ASP HA 1 73 ARG H 2.800 . 3.800 2.812 2.744 2.864 . 0 0 "[ . 1 . 2]" 1
774 1 71 ASP HA 1 74 GLU H 2.700 . 3.600 3.175 3.075 3.265 . 0 0 "[ . 1 . 2]" 1
775 1 71 ASP HA 1 74 GLU QB 2.600 . 3.400 3.559 3.146 3.936 0.536 14 2 "[ . 1 +. -2]" 1
776 1 71 ASP HA 1 74 GLU QG 2.500 . 3.300 4.501 3.340 5.733 2.433 17 14 "[** * ********- + *2]" 1
777 1 72 ALA H 1 72 ALA HA 2.900 . 4.000 2.851 2.792 2.904 . 0 0 "[ . 1 . 2]" 1
778 1 72 ALA H 1 73 ARG H 2.700 . 3.600 2.720 2.472 3.631 0.031 10 0 "[ . 1 . 2]" 1
779 1 72 ALA HA 1 73 ARG H 3.300 . 4.700 3.061 2.426 3.272 . 0 0 "[ . 1 . 2]" 1
780 1 72 ALA HA 1 75 MET H 2.400 . 3.100 2.644 2.534 2.835 . 0 0 "[ . 1 . 2]" 1
781 1 73 ARG H 1 73 ARG QD 3.800 . 5.600 3.964 3.485 4.923 . 0 0 "[ . 1 . 2]" 1
782 1 73 ARG H 1 73 ARG HG2 2.700 . 3.600 3.577 2.351 4.410 0.810 10 3 "[ . + - * 2]" 1
783 1 73 ARG H 1 73 ARG HG3 2.900 . 3.900 3.150 2.208 4.747 0.847 10 4 "[ . + * - *]" 1
784 1 73 ARG H 1 75 MET H 4.700 . 6.000 3.613 2.308 4.035 . 0 0 "[ . 1 . 2]" 1
785 1 73 ARG HA 1 73 ARG QB 2.300 . 3.000 2.329 2.176 2.451 . 0 0 "[ . 1 . 2]" 1
786 1 73 ARG HA 1 73 ARG HG2 2.900 . 3.900 2.973 2.514 3.827 . 0 0 "[ . 1 . 2]" 1
787 1 73 ARG HA 1 73 ARG HG3 2.900 . 3.900 3.076 2.591 3.671 . 0 0 "[ . 1 . 2]" 1
788 1 73 ARG HA 1 75 MET H 3.900 . 5.800 4.713 4.245 5.443 . 0 0 "[ . 1 . 2]" 1
789 1 73 ARG HA 1 76 SER QB 3.100 . 6.000 4.293 3.555 5.127 . 0 0 "[ . 1 . 2]" 1
790 1 73 ARG QB 1 73 ARG QD 2.300 . 3.000 2.174 2.046 2.533 . 0 0 "[ . 1 . 2]" 1
791 1 73 ARG QB 1 73 ARG HG2 2.400 . 3.100 2.329 2.275 2.387 . 0 0 "[ . 1 . 2]" 1
792 1 73 ARG QB 1 73 ARG HG3 2.200 . 2.800 2.348 2.271 2.412 . 0 0 "[ . 1 . 2]" 1
793 1 73 ARG QB 1 74 GLU H 2.300 . 3.000 2.824 2.234 3.479 0.479 14 0 "[ . 1 . 2]" 1
794 1 73 ARG HB2 1 73 ARG QD 3.000 . 4.200 2.414 2.243 2.863 . 0 0 "[ . 1 . 2]" 1
795 1 73 ARG QD 1 73 ARG HG2 2.400 . 3.100 2.320 2.146 2.523 . 0 0 "[ . 1 . 2]" 1
796 1 73 ARG QD 1 73 ARG HG3 2.500 . 3.300 2.319 2.154 2.532 . 0 0 "[ . 1 . 2]" 1
797 1 73 ARG HG2 1 74 GLU H 3.900 . 5.800 4.428 2.666 5.249 . 0 0 "[ . 1 . 2]" 1
798 1 74 GLU H 1 74 GLU HA 2.400 . 3.100 2.946 2.929 2.969 . 0 0 "[ . 1 . 2]" 1
799 1 74 GLU H 1 74 GLU QB 2.200 . 2.800 2.450 2.302 2.631 . 0 0 "[ . 1 . 2]" 1
800 1 74 GLU H 1 75 MET H 2.100 . 2.600 1.870 1.684 2.167 . 0 0 "[ . 1 . 2]" 1
801 1 74 GLU H 1 76 SER H 4.000 . 6.000 3.333 3.189 3.436 . 0 0 "[ . 1 . 2]" 1
802 1 74 GLU H 1 76 SER HA 4.500 . 6.000 6.124 6.000 6.240 0.240 5 0 "[ . 1 . 2]" 1
803 1 74 GLU H 1 77 LYS QG 3.400 . 4.800 4.605 4.184 5.919 1.119 12 1 "[ . 1 + . 2]" 1
804 1 74 GLU HA 1 74 GLU QB 2.200 . 2.800 2.400 2.298 2.545 . 0 0 "[ . 1 . 2]" 1
805 1 74 GLU HA 1 74 GLU QG 2.600 . 3.500 2.769 2.286 3.097 . 0 0 "[ . 1 . 2]" 1
806 1 74 GLU HA 1 77 LYS QD 2.600 . 3.400 3.085 2.304 3.485 0.085 18 0 "[ . 1 . 2]" 1
807 1 74 GLU HA 1 77 LYS QE 2.800 . 3.800 2.998 1.771 4.200 0.400 13 0 "[ . 1 . 2]" 1
808 1 74 GLU QB 1 75 MET H 2.100 . 2.700 2.224 2.119 2.385 . 0 0 "[ . 1 . 2]" 1
809 1 75 MET H 1 75 MET HB2 2.200 . 2.800 2.503 2.233 2.697 . 0 0 "[ . 1 . 2]" 1
810 1 75 MET H 1 76 SER H 2.300 . 3.000 2.510 2.128 2.739 . 0 0 "[ . 1 . 2]" 1
811 1 75 MET H 1 76 SER HA 4.100 . 6.000 4.200 3.819 4.414 . 0 0 "[ . 1 . 2]" 1
812 1 75 MET H 1 77 LYS H 4.100 . 6.000 4.247 3.970 4.464 . 0 0 "[ . 1 . 2]" 1
813 1 75 MET HA 1 75 MET HB2 2.200 . 2.800 2.472 2.408 2.546 . 0 0 "[ . 1 . 2]" 1
814 1 75 MET HA 1 75 MET HB3 2.700 . 3.600 3.023 3.007 3.031 . 0 0 "[ . 1 . 2]" 1
815 1 75 MET HA 1 75 MET QG 2.700 . 3.600 2.799 2.447 3.058 . 0 0 "[ . 1 . 2]" 1
816 1 75 MET HA 1 76 SER H 3.100 . 4.300 3.456 3.376 3.508 . 0 0 "[ . 1 . 2]" 1
817 1 75 MET HB2 1 76 SER H 3.600 . 5.300 4.020 3.822 4.226 . 0 0 "[ . 1 . 2]" 1
818 1 75 MET HB3 1 75 MET HG2 2.400 . 3.100 2.148 1.688 2.391 0.012 6 0 "[ . 1 . 2]" 1
819 1 75 MET HB3 1 76 SER H 2.700 . 3.600 2.927 2.609 3.267 . 0 0 "[ . 1 . 2]" 1
820 1 76 SER H 1 76 SER HA 2.400 . 3.100 2.380 2.168 2.513 . 0 0 "[ . 1 . 2]" 1
821 1 76 SER H 1 76 SER QB 2.600 . 3.400 2.555 2.250 2.750 . 0 0 "[ . 1 . 2]" 1
822 1 76 SER H 1 77 LYS H 2.500 . 3.300 2.478 2.317 2.665 . 0 0 "[ . 1 . 2]" 1
823 1 76 SER HA 1 76 SER QB 2.300 . 2.900 2.225 2.159 2.432 . 0 0 "[ . 1 . 2]" 1
824 1 76 SER QB 1 80 ILE HA 3.900 . 5.800 5.961 5.845 6.084 0.284 6 0 "[ . 1 . 2]" 1
825 1 77 LYS H 1 77 LYS HA 2.500 . 3.300 2.793 2.749 2.826 . 0 0 "[ . 1 . 2]" 1
826 1 77 LYS H 1 77 LYS QB 2.300 . 3.000 2.027 1.882 2.131 . 0 0 "[ . 1 . 2]" 1
827 1 77 LYS H 1 77 LYS QE 4.300 . 6.000 4.442 3.467 5.186 . 0 0 "[ . 1 . 2]" 1
828 1 77 LYS H 1 77 LYS QG 2.400 . 3.100 2.210 1.939 2.587 . 0 0 "[ . 1 . 2]" 1
829 1 77 LYS H 1 78 THR H 2.600 . 3.500 2.702 2.607 2.853 . 0 0 "[ . 1 . 2]" 1
830 1 77 LYS HA 1 77 LYS HB2 2.700 . 3.600 2.960 2.397 3.028 . 0 0 "[ . 1 . 2]" 1
831 1 77 LYS HA 1 77 LYS QB 2.300 . 2.900 2.366 2.161 2.453 . 0 0 "[ . 1 . 2]" 1
832 1 77 LYS HA 1 77 LYS QG 2.600 . 3.400 2.587 2.292 3.358 . 0 0 "[ . 1 . 2]" 1
833 1 77 LYS HA 1 80 ILE H 3.300 . 4.700 3.760 3.351 4.025 . 0 0 "[ . 1 . 2]" 1
834 1 77 LYS HA 1 80 ILE HB 2.900 . 4.000 3.992 3.245 4.234 0.234 15 0 "[ . 1 . 2]" 1
835 1 77 LYS HA 1 80 ILE HG12 3.300 . 4.600 3.879 3.380 4.434 . 0 0 "[ . 1 . 2]" 1
836 1 77 LYS HA 1 80 ILE HG13 2.600 . 3.500 2.485 2.091 2.982 . 0 0 "[ . 1 . 2]" 1
837 1 77 LYS QB 1 78 THR H 2.900 . 3.900 2.877 2.607 3.637 . 0 0 "[ . 1 . 2]" 1
838 1 77 LYS QB 1 78 THR HA 3.100 . 4.300 3.966 3.757 4.410 0.110 12 0 "[ . 1 . 2]" 1
839 1 77 LYS HB3 1 80 ILE HG13 4.400 . 6.000 4.668 4.189 5.169 . 0 0 "[ . 1 . 2]" 1
840 1 77 LYS QD 1 77 LYS QE 2.300 . 3.000 2.042 1.967 2.091 . 0 0 "[ . 1 . 2]" 1
841 1 78 THR H 1 78 THR HA 2.600 . 3.400 2.902 2.872 2.929 . 0 0 "[ . 1 . 2]" 1
842 1 78 THR H 1 78 THR HB 2.700 . 3.600 3.210 2.690 3.459 . 0 0 "[ . 1 . 2]" 1
843 1 78 THR H 1 80 ILE HB 4.300 . 6.000 5.732 5.240 6.030 0.030 7 0 "[ . 1 . 2]" 1
844 1 78 THR HA 1 78 THR HB 2.400 . 3.100 2.703 2.481 3.015 . 0 0 "[ . 1 . 2]" 1
845 1 78 THR HA 1 79 PHE H 2.700 . 3.600 3.246 3.158 3.336 . 0 0 "[ . 1 . 2]" 1
846 1 79 PHE H 1 79 PHE HB2 2.300 . 3.000 2.434 2.316 2.613 . 0 0 "[ . 1 . 2]" 1
847 1 79 PHE H 1 79 PHE HB3 3.100 . 4.300 3.644 3.576 3.726 . 0 0 "[ . 1 . 2]" 1
848 1 79 PHE H 1 80 ILE H 1.800 . 2.200 2.087 1.953 2.196 . 0 0 "[ . 1 . 2]" 1
849 1 79 PHE H 1 80 ILE HG12 4.900 . 6.000 4.587 4.359 4.830 . 0 0 "[ . 1 . 2]" 1
850 1 79 PHE HA 1 79 PHE HB2 2.600 . 3.400 3.025 3.015 3.034 . 0 0 "[ . 1 . 2]" 1
851 1 79 PHE HA 1 79 PHE HB3 2.500 . 3.300 2.522 2.430 2.569 . 0 0 "[ . 1 . 2]" 1
852 1 79 PHE HB3 1 80 ILE H 3.900 . 5.800 4.098 3.966 4.242 . 0 0 "[ . 1 . 2]" 1
853 1 80 ILE H 1 80 ILE HA 2.600 . 3.400 2.861 2.837 2.890 . 0 0 "[ . 1 . 2]" 1
854 1 80 ILE H 1 80 ILE HB 2.400 . 3.100 2.528 2.454 2.585 . 0 0 "[ . 1 . 2]" 1
855 1 80 ILE H 1 80 ILE HG13 2.200 . 2.800 2.085 1.923 2.297 . 0 0 "[ . 1 . 2]" 1
856 1 80 ILE H 1 81 ILE H 3.700 . 5.400 4.248 4.038 4.412 . 0 0 "[ . 1 . 2]" 1
857 1 80 ILE HA 1 80 ILE HB 2.700 . 3.600 3.024 3.011 3.033 . 0 0 "[ . 1 . 2]" 1
858 1 80 ILE HA 1 80 ILE HG12 2.500 . 3.300 2.620 2.505 2.713 . 0 0 "[ . 1 . 2]" 1
859 1 80 ILE HA 1 80 ILE HG13 2.700 . 3.600 3.164 3.033 3.287 . 0 0 "[ . 1 . 2]" 1
860 1 80 ILE HA 1 81 ILE H 2.400 . 3.100 2.249 2.191 2.328 . 0 0 "[ . 1 . 2]" 1
861 1 80 ILE HA 1 82 GLY H 3.100 . 4.300 3.579 3.393 3.807 . 0 0 "[ . 1 . 2]" 1
862 1 80 ILE HB 1 80 ILE HG13 2.800 . 3.700 2.465 2.430 2.503 . 0 0 "[ . 1 . 2]" 1
863 1 81 ILE H 1 81 ILE HG12 2.500 . 3.300 1.934 1.801 2.095 . 0 0 "[ . 1 . 2]" 1
864 1 81 ILE H 1 81 ILE HG13 3.400 . 4.800 2.931 2.747 3.116 . 0 0 "[ . 1 . 2]" 1
865 1 81 ILE H 1 82 GLY H 2.200 . 2.800 2.416 2.283 2.580 . 0 0 "[ . 1 . 2]" 1
866 1 81 ILE HA 1 81 ILE HB 2.300 . 3.000 2.491 2.428 2.534 . 0 0 "[ . 1 . 2]" 1
867 1 81 ILE HA 1 81 ILE HG12 3.600 . 5.200 3.695 3.640 3.757 . 0 0 "[ . 1 . 2]" 1
868 1 81 ILE HA 1 81 ILE HG13 3.700 . 5.400 3.730 3.674 3.781 . 0 0 "[ . 1 . 2]" 1
869 1 81 ILE HB 1 81 ILE HG12 2.900 . 3.900 3.027 3.017 3.035 . 0 0 "[ . 1 . 2]" 1
870 1 81 ILE HB 1 81 ILE HG13 2.700 . 3.600 2.469 2.436 2.500 . 0 0 "[ . 1 . 2]" 1
871 1 81 ILE HG13 1 82 GLY H 2.600 . 3.400 2.694 2.397 3.038 . 0 0 "[ . 1 . 2]" 1
872 1 82 GLY H 1 82 GLY HA2 2.600 . 3.500 2.763 2.701 2.817 . 0 0 "[ . 1 . 2]" 1
873 1 82 GLY H 1 82 GLY HA3 2.600 . 3.500 2.851 2.788 2.903 . 0 0 "[ . 1 . 2]" 1
874 1 82 GLY H 1 83 GLU H 4.700 . 6.000 4.346 4.250 4.419 . 0 0 "[ . 1 . 2]" 1
875 1 82 GLY HA2 1 83 GLU H 2.800 . 3.800 2.787 2.578 2.952 . 0 0 "[ . 1 . 2]" 1
876 1 82 GLY HA2 1 83 GLU QB 3.800 . 5.600 4.565 4.298 4.723 . 0 0 "[ . 1 . 2]" 1
877 1 82 GLY HA3 1 83 GLU H 2.500 . 3.300 2.373 2.240 2.516 . 0 0 "[ . 1 . 2]" 1
878 1 82 GLY HA3 1 83 GLU QB 4.100 . 6.000 4.677 4.484 4.849 . 0 0 "[ . 1 . 2]" 1
879 1 83 GLU H 1 83 GLU QB 2.900 . 3.900 2.555 2.331 2.714 . 0 0 "[ . 1 . 2]" 1
880 1 83 GLU H 1 83 GLU QB 3.100 . 4.300 2.520 2.308 2.663 . 0 0 "[ . 1 . 2]" 1
881 1 83 GLU HA 1 83 GLU QB 2.900 . 3.500 2.407 2.338 2.490 . 0 0 "[ . 1 . 2]" 1
882 1 83 GLU HA 1 83 GLU QB 2.200 . 2.800 2.305 2.116 2.385 . 0 0 "[ . 1 . 2]" 1
883 1 83 GLU HA 1 83 GLU HG2 3.000 . 4.200 2.619 2.202 3.760 . 0 0 "[ . 1 . 2]" 1
884 1 83 GLU QB 1 84 LEU H 2.400 . 3.100 1.785 1.599 1.955 0.101 3 0 "[ . 1 . 2]" 1
885 1 83 GLU QG 1 84 LEU H 2.600 . 3.400 3.648 3.056 4.045 0.645 1 3 "[+ . 1 -.* 2]" 1
886 1 83 GLU QG 1 87 ASP H 3.700 . 6.000 9.795 8.097 10.571 4.571 7 20 [******+***********-*] 1
887 1 84 LEU H 1 84 LEU HA 2.900 . 3.900 2.905 2.852 2.933 . 0 0 "[ . 1 . 2]" 1
888 1 84 LEU HA 1 84 LEU QB 2.900 . 3.900 2.396 2.290 2.517 . 0 0 "[ . 1 . 2]" 1
889 1 84 LEU HA 1 84 LEU HG 3.500 . 5.000 3.178 2.353 3.676 . 0 0 "[ . 1 . 2]" 1
890 1 84 LEU QB 1 87 ASP H 3.200 . 4.500 4.827 3.980 5.412 0.912 8 10 "[ *-***+ * *. * *]" 1
891 1 84 LEU QB 1 88 ASP QB 3.100 . 4.000 2.114 1.432 3.293 0.468 2 0 "[ . 1 . 2]" 1
892 1 85 HIS H 1 85 HIS HA 3.000 . 4.100 2.808 2.670 2.865 . 0 0 "[ . 1 . 2]" 1
893 1 85 HIS H 1 85 HIS QB . . 3.100 2.140 2.014 2.489 . 0 0 "[ . 1 . 2]" 1
894 1 85 HIS H 1 85 HIS HD2 4.100 . 6.000 3.990 2.000 5.300 . 0 0 "[ . 1 . 2]" 1
895 1 85 HIS HA 1 85 HIS QB 3.100 . 4.100 2.465 2.174 2.548 . 0 0 "[ . 1 . 2]" 1
896 1 85 HIS HA 1 86 PRO HD2 2.600 . 3.400 2.484 2.091 3.039 . 0 0 "[ . 1 . 2]" 1
897 1 85 HIS HA 1 86 PRO HD3 2.400 . 3.100 2.433 1.964 2.816 . 0 0 "[ . 1 . 2]" 1
898 1 85 HIS HA 1 87 ASP H 3.300 . 6.000 4.232 3.851 5.087 . 0 0 "[ . 1 . 2]" 1
899 1 85 HIS QB 1 85 HIS HD2 3.500 . 5.000 2.941 2.755 3.119 . 0 0 "[ . 1 . 2]" 1
900 1 85 HIS QB 1 86 PRO HA 3.200 . 4.500 4.387 4.059 4.647 0.147 14 0 "[ . 1 . 2]" 1
901 1 85 HIS QB 1 89 ARG QB 3.700 . 6.000 4.538 4.225 5.062 . 0 0 "[ . 1 . 2]" 1
902 1 86 PRO HA 1 86 PRO QB 2.300 . 2.900 2.237 2.172 2.266 . 0 0 "[ . 1 . 2]" 1
903 1 86 PRO HA 1 86 PRO HG3 3.100 . 4.300 3.072 2.828 3.938 . 0 0 "[ . 1 . 2]" 1
904 1 86 PRO HA 1 88 ASP QB 3.300 . 6.000 5.688 5.000 5.902 . 0 0 "[ . 1 . 2]" 1
905 1 86 PRO HA 1 88 ASP QB 2.900 . 4.000 3.637 1.952 4.106 0.106 13 0 "[ . 1 . 2]" 1
906 1 86 PRO HA 1 89 ARG QB 3.400 . 4.900 2.708 1.844 3.390 0.056 1 0 "[ . 1 . 2]" 1
907 1 86 PRO HA 1 89 ARG QB 3.200 . 4.500 2.681 1.843 3.230 0.057 1 0 "[ . 1 . 2]" 1
908 1 86 PRO QB 1 89 ARG QB 2.400 . 6.000 4.314 3.231 4.849 . 0 0 "[ . 1 . 2]" 1
909 1 86 PRO QB 1 89 ARG QB 2.700 . 3.600 3.854 2.250 4.465 0.865 10 7 "[ * *.* + -* . * 2]" 1
910 1 87 ASP H 1 87 ASP HA 2.800 . 3.800 2.872 2.669 2.951 . 0 0 "[ . 1 . 2]" 1
911 1 87 ASP H 1 87 ASP QB 2.500 . 3.300 2.491 2.244 2.867 . 0 0 "[ . 1 . 2]" 1
912 1 87 ASP H 1 88 ASP H 2.300 . 2.900 2.215 1.751 2.888 . 0 0 "[ . 1 . 2]" 1
913 1 87 ASP H 1 89 ARG H 3.800 . 5.600 3.479 2.344 4.392 . 0 0 "[ . 1 . 2]" 1
914 1 87 ASP H 1 91 LYS H 2.300 . 6.000 6.085 4.629 6.847 0.847 6 1 "[ .+ 1 . 2]" 1
915 1 87 ASP HA 1 87 ASP QB 2.400 . 3.100 2.339 2.187 2.455 . 0 0 "[ . 1 . 2]" 1
916 1 87 ASP HA 1 91 LYS H 3.200 . 4.500 3.211 2.112 3.514 . 0 0 "[ . 1 . 2]" 1
917 1 87 ASP QB 1 88 ASP H 2.600 . 3.400 2.269 1.937 2.534 . 0 0 "[ . 1 . 2]" 1
918 1 87 ASP QB 1 89 ARG H 3.500 . 5.000 2.699 1.928 3.107 0.072 19 0 "[ . 1 . 2]" 1
919 1 88 ASP H 1 88 ASP QB 2.600 . 3.500 2.460 2.275 2.628 . 0 0 "[ . 1 . 2]" 1
920 1 88 ASP H 1 89 ARG H 2.200 . 2.800 2.081 1.681 2.474 . 0 0 "[ . 1 . 2]" 1
921 1 88 ASP HA 1 91 LYS QB 3.100 . 4.300 4.791 2.552 5.680 1.380 8 14 "[ ******+ * ***.*-* 2]" 1
922 1 88 ASP HA 1 91 LYS QG 2.800 . 3.800 3.421 2.650 3.789 . 0 0 "[ . 1 . 2]" 1
923 1 88 ASP HA 1 92 LEU QB 2.700 . 3.600 7.869 5.944 9.356 5.756 16 20 [*************-*+****] 1
924 1 89 ARG H 1 89 ARG HA 2.900 . 3.900 2.761 2.272 2.862 . 0 0 "[ . 1 . 2]" 1
925 1 89 ARG H 1 89 ARG QB 2.500 . 3.300 2.234 2.069 2.951 . 0 0 "[ . 1 . 2]" 1
926 1 89 ARG H 1 89 ARG QB 3.000 . 4.100 2.211 2.065 2.879 . 0 0 "[ . 1 . 2]" 1
927 1 89 ARG H 1 89 ARG QD 3.600 . 5.200 4.411 3.599 5.080 . 0 0 "[ . 1 . 2]" 1
928 1 89 ARG H 1 90 PRO QD 2.600 . 3.400 2.913 2.208 4.564 1.164 19 5 "[ -. * 1 .* *+2]" 1
929 1 89 ARG H 1 94 LYS QB 1.800 . 6.000 5.636 4.294 6.118 0.118 18 0 "[ . 1 . 2]" 1
930 1 89 ARG HA 1 89 ARG QB 2.600 . 3.400 2.437 2.322 2.541 . 0 0 "[ . 1 . 2]" 1
931 1 89 ARG HA 1 89 ARG QB 3.100 . 4.300 2.122 1.963 2.341 . 0 0 "[ . 1 . 2]" 1
932 1 89 ARG HA 1 89 ARG QD 2.800 . 3.700 3.778 1.678 4.197 0.497 8 0 "[ . 1 . 2]" 1
933 1 89 ARG QB 1 89 ARG QD 3.200 . 4.500 2.176 1.943 2.453 . 0 0 "[ . 1 . 2]" 1
934 1 90 PRO HB2 1 91 LYS H 3.900 . 5.800 3.542 2.580 4.395 . 0 0 "[ . 1 . 2]" 1
935 1 90 PRO HB3 1 90 PRO QD 2.900 . 4.000 3.384 3.013 3.520 . 0 0 "[ . 1 . 2]" 1
936 1 90 PRO HB3 1 95 PRO HD3 3.300 . 6.000 5.572 4.143 6.929 0.929 20 3 "[ . -1 * . +]" 1
937 1 90 PRO QD 1 91 LYS H 4.600 . 6.000 2.548 1.716 4.527 0.284 20 0 "[ . 1 . 2]" 1
938 1 91 LYS H 1 91 LYS HA 2.900 . 4.000 2.355 2.241 2.850 . 0 0 "[ . 1 . 2]" 1
939 1 91 LYS H 1 91 LYS QB 2.600 . 3.500 3.109 2.092 3.414 . 0 0 "[ . 1 . 2]" 1
940 1 91 LYS H 1 91 LYS QE 3.000 . 6.000 4.937 3.161 5.530 . 0 0 "[ . 1 . 2]" 1
941 1 91 LYS H 1 91 LYS QG 2.900 . 4.000 2.915 1.701 4.119 0.119 20 0 "[ . 1 . 2]" 1
942 1 91 LYS HA 1 91 LYS QB 2.400 . 3.100 2.409 2.145 2.539 . 0 0 "[ . 1 . 2]" 1
943 1 91 LYS QE 1 91 LYS HG3 2.600 . 3.500 2.118 1.973 2.491 . 0 0 "[ . 1 . 2]" 1
944 1 92 LEU H 1 92 LEU HA 2.800 . 3.800 2.788 2.267 2.951 . 0 0 "[ . 1 . 2]" 1
945 1 92 LEU H 1 92 LEU QB 2.500 . 3.300 2.521 2.163 3.167 . 0 0 "[ . 1 . 2]" 1
946 1 92 LEU HG 1 93 ASN QB 2.900 . 4.000 3.037 1.947 4.131 0.131 20 0 "[ . 1 . 2]" 1
947 1 93 ASN H 1 93 ASN QB 2.900 . 4.000 2.784 2.290 3.365 . 0 0 "[ . 1 . 2]" 1
948 1 93 ASN HA 1 93 ASN QB 3.000 . 3.900 2.376 2.184 2.456 . 0 0 "[ . 1 . 2]" 1
949 1 93 ASN QB 1 93 ASN HD21 3.400 . 4.800 2.402 2.141 2.788 . 0 0 "[ . 1 . 2]" 1
950 1 93 ASN QB 1 94 LYS H 3.500 . 5.000 3.266 1.976 4.041 0.024 14 0 "[ . 1 . 2]" 1
951 1 94 LYS H 1 94 LYS QB 2.700 . 3.600 2.874 2.266 3.444 . 0 0 "[ . 1 . 2]" 1
952 1 94 LYS H 1 94 LYS QG 3.200 . 4.500 2.920 2.101 3.944 . 0 0 "[ . 1 . 2]" 1
953 1 94 LYS HA 1 94 LYS QB 2.700 . 3.600 2.302 2.159 2.474 . 0 0 "[ . 1 . 2]" 1
954 1 94 LYS HA 1 94 LYS HG3 3.000 . 4.100 3.060 2.440 3.820 . 0 0 "[ . 1 . 2]" 1
955 1 94 LYS HA 1 95 PRO HD2 2.500 . 6.000 2.456 1.762 3.108 . 0 0 "[ . 1 . 2]" 1
956 1 94 LYS HA 1 95 PRO HD3 2.600 . 3.400 2.133 1.752 2.847 0.048 15 0 "[ . 1 . 2]" 1
957 1 94 LYS QB 1 95 PRO HD2 3.000 . 4.100 3.515 1.990 4.556 0.456 6 0 "[ . 1 . 2]" 1
958 1 95 PRO HA 1 95 PRO HB3 2.700 . 3.600 2.285 2.249 2.320 . 0 0 "[ . 1 . 2]" 1
959 1 95 PRO HA 1 96 PRO HD2 2.500 . 3.300 2.525 1.791 2.901 . 0 0 "[ . 1 . 2]" 1
960 1 95 PRO HA 1 96 PRO HD3 2.400 . 3.200 1.978 1.675 2.637 . 0 0 "[ . 1 . 2]" 1
961 1 95 PRO HB2 1 96 PRO HD3 4.000 . 6.000 4.360 3.806 5.021 . 0 0 "[ . 1 . 2]" 1
962 1 95 PRO HD3 1 95 PRO QG 2.900 . 3.900 2.112 2.086 2.188 . 0 0 "[ . 1 . 2]" 1
963 1 95 PRO HD3 1 95 PRO HG3 2.600 . 3.400 2.295 2.257 2.327 . 0 0 "[ . 1 . 2]" 1
964 1 96 PRO HA 1 96 PRO HB3 2.900 . 3.900 2.275 2.249 2.304 . 0 0 "[ . 1 . 2]" 1
965 1 96 PRO HA 1 96 PRO QG 3.400 . 4.800 3.263 2.859 3.529 . 0 0 "[ . 1 . 2]" 1
966 1 97 GLU H 1 97 GLU HA 2.500 . 3.300 2.767 2.256 2.943 . 0 0 "[ . 1 . 2]" 1
967 1 97 GLU H 1 97 GLU QB 2.800 . 3.800 2.711 2.239 3.439 . 0 0 "[ . 1 . 2]" 1
968 1 97 GLU H 1 97 GLU QG 3.300 . 4.700 3.245 1.895 4.515 0.005 16 0 "[ . 1 . 2]" 1
969 1 98 THR HA 1 99 LEU H 2.700 . 3.600 2.381 2.075 2.785 . 0 0 "[ . 1 . 2]" 1
970 1 99 LEU H 1 99 LEU QB 3.000 . 4.100 2.527 2.120 3.173 . 0 0 "[ . 1 . 2]" 1
971 1 99 LEU HA 1 99 LEU QB 2.500 . 3.300 2.294 2.144 2.447 . 0 0 "[ . 1 . 2]" 1
972 1 99 LEU HA 1 99 LEU HB3 2.300 . 3.000 2.678 2.448 3.018 0.018 2 0 "[ . 1 . 2]" 1
973 1 99 LEU HA 1 100 ILE H 2.600 . 3.400 2.606 2.001 2.810 . 0 0 "[ . 1 . 2]" 1
974 1 100 ILE H 1 100 ILE HB 3.300 . 4.700 3.035 2.439 3.817 . 0 0 "[ . 1 . 2]" 1
975 1 103 ILE H 1 103 ILE HG12 3.300 . 4.700 3.828 2.029 4.807 0.107 1 0 "[ . 1 . 2]" 1
976 1 103 ILE H 1 103 ILE HG13 3.400 . 4.900 3.504 1.990 4.806 . 0 0 "[ . 1 . 2]" 1
977 1 104 ASP H 1 104 ASP QB 3.900 . 5.800 2.587 2.203 3.188 . 0 0 "[ . 1 . 2]" 1
978 1 104 ASP HA 1 104 ASP QB 3.200 . 4.500 2.358 2.173 2.497 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 1, 2024 8:14:24 PM GMT (wattos1)