NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601967 |
2n82   |
25831 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n82
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 2242
_Distance_constraint_stats_list.Viol_count 5784
_Distance_constraint_stats_list.Viol_total 11761.189
_Distance_constraint_stats_list.Viol_max 1.390
_Distance_constraint_stats_list.Viol_rms 0.0500
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0131
_Distance_constraint_stats_list.Viol_average_violations_only 0.1017
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 16.967 0.657 19 3 "[ . 1 * . -+2]"
1 2 G 23.305 0.656 12 1 "[ . 1 + . 2]"
1 3 U 19.881 0.606 13 4 "[ . 1* + . * -]"
1 4 A 24.371 0.559 9 5 "[ - . * +1 *. * 2]"
1 5 G 16.250 0.409 1 0 "[ . 1 . 2]"
1 6 U 11.508 0.409 1 0 "[ . 1 . 2]"
1 7 U 11.806 1.390 16 3 "[ *-. 1 .+ 2]"
1 8 U 35.779 1.390 16 4 "[* *-. 1 .+ 2]"
1 9 U 28.475 1.329 20 5 "[ - 1* *. * +]"
1 10 G 16.450 1.329 20 5 "[ -* 1* . * +]"
1 11 G 6.936 0.432 15 0 "[ . 1 . 2]"
1 12 C 10.267 0.432 15 0 "[ . 1 . 2]"
1 13 A 17.067 0.419 7 0 "[ . 1 . 2]"
1 14 U 35.032 0.505 4 1 "[ +. 1 . 2]"
1 15 G 31.285 0.472 8 0 "[ . 1 . 2]"
1 16 A 6.273 0.314 19 0 "[ . 1 . 2]"
1 17 C 7.372 0.435 6 0 "[ . 1 . 2]"
1 18 U 17.731 0.633 19 5 "[* - * 1 . *+2]"
1 19 C 8.887 0.241 3 0 "[ . 1 . 2]"
1 20 U 21.113 0.262 10 0 "[ . 1 . 2]"
1 21 A 20.499 0.601 3 4 "[ + . *1 -*. 2]"
1 22 C 26.017 0.605 15 1 "[ . 1 + 2]"
1 23 C 32.056 0.605 15 1 "[ . 1 + 2]"
2 3 HIS 1.690 0.191 18 0 "[ . 1 . 2]"
2 4 MET 1.648 0.170 6 0 "[ . 1 . 2]"
2 5 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 THR 1.003 0.155 17 0 "[ . 1 . 2]"
2 7 GLU 1.857 0.160 16 0 "[ . 1 . 2]"
2 8 ASN 0.173 0.055 1 0 "[ . 1 . 2]"
2 9 LYS 6.728 0.623 1 1 "[+ . 1 . 2]"
2 10 SER 6.444 0.623 1 1 "[+ . 1 . 2]"
2 11 GLN 9.356 0.268 5 0 "[ . 1 . 2]"
2 12 PRO 13.321 0.268 5 0 "[ . 1 . 2]"
2 13 LYS 3.990 0.198 18 0 "[ . 1 . 2]"
2 14 ARG 4.390 0.198 18 0 "[ . 1 . 2]"
2 15 LEU 9.494 0.234 18 0 "[ . 1 . 2]"
2 16 HIS 2.522 0.199 10 0 "[ . 1 . 2]"
2 17 VAL 6.707 0.147 1 0 "[ . 1 . 2]"
2 18 SER 1.940 0.147 1 0 "[ . 1 . 2]"
2 19 ASN 2.984 0.142 1 0 "[ . 1 . 2]"
2 20 ILE 4.930 0.244 19 0 "[ . 1 . 2]"
2 21 PRO 5.812 0.332 19 0 "[ . 1 . 2]"
2 22 PHE 12.849 0.406 8 0 "[ . 1 . 2]"
2 23 ARG 4.421 0.332 19 0 "[ . 1 . 2]"
2 24 PHE 1.731 0.108 1 0 "[ . 1 . 2]"
2 25 ARG 7.240 0.229 5 0 "[ . 1 . 2]"
2 26 ASP 5.626 0.263 18 0 "[ . 1 . 2]"
2 27 PRO 6.137 0.182 13 0 "[ . 1 . 2]"
2 28 ASP 5.836 0.229 5 0 "[ . 1 . 2]"
2 29 LEU 7.966 0.144 12 0 "[ . 1 . 2]"
2 30 ARG 4.144 0.247 10 0 "[ . 1 . 2]"
2 31 GLN 5.532 0.373 6 0 "[ . 1 . 2]"
2 32 MET 4.519 0.187 1 0 "[ . 1 . 2]"
2 33 PHE 5.070 0.170 5 0 "[ . 1 . 2]"
2 34 GLY 2.964 0.105 8 0 "[ . 1 . 2]"
2 35 GLN 0.257 0.026 17 0 "[ . 1 . 2]"
2 36 PHE 1.013 0.076 19 0 "[ . 1 . 2]"
2 37 GLY 0.000 0.000 2 0 "[ . 1 . 2]"
2 38 LYS 1.495 0.204 3 0 "[ . 1 . 2]"
2 39 ILE 4.492 0.105 8 0 "[ . 1 . 2]"
2 40 LEU 0.983 0.068 8 0 "[ . 1 . 2]"
2 41 ASP 0.052 0.025 8 0 "[ . 1 . 2]"
2 42 VAL 2.160 0.115 15 0 "[ . 1 . 2]"
2 43 GLU 7.629 0.263 17 0 "[ . 1 . 2]"
2 44 ILE 5.883 0.211 9 0 "[ . 1 . 2]"
2 45 ILE 16.412 0.505 4 1 "[ +. 1 . 2]"
2 46 PHE 13.072 0.256 9 0 "[ . 1 . 2]"
2 47 ASN 8.297 0.397 8 0 "[ . 1 . 2]"
2 48 GLU 24.780 0.977 1 3 "[+ . 1 -.* 2]"
2 49 ARG 18.802 0.435 3 0 "[ . 1 . 2]"
2 50 GLY 4.116 0.256 9 0 "[ . 1 . 2]"
2 51 SER 8.888 0.338 15 0 "[ . 1 . 2]"
2 52 LYS 7.630 0.358 13 0 "[ . 1 . 2]"
2 53 GLY 4.681 0.358 13 0 "[ . 1 . 2]"
2 54 PHE 18.469 0.472 8 0 "[ . 1 . 2]"
2 55 GLY 1.445 0.130 1 0 "[ . 1 . 2]"
2 56 PHE 8.624 0.383 4 0 "[ . 1 . 2]"
2 57 VAL 3.035 0.159 14 0 "[ . 1 . 2]"
2 58 THR 1.827 0.115 15 0 "[ . 1 . 2]"
2 59 PHE 9.903 0.221 16 0 "[ . 1 . 2]"
2 60 GLU 0.349 0.068 8 0 "[ . 1 . 2]"
2 61 ASN 5.319 0.860 18 2 "[ . 1- . + 2]"
2 62 SER 0.427 0.092 13 0 "[ . 1 . 2]"
2 63 ALA 1.688 0.085 16 0 "[ . 1 . 2]"
2 64 ASP 2.715 0.225 19 0 "[ . 1 . 2]"
2 65 ALA 4.603 0.860 18 2 "[ . 1- . + 2]"
2 66 ASP 2.942 0.261 12 0 "[ . 1 . 2]"
2 67 ARG 7.509 0.261 12 0 "[ . 1 . 2]"
2 68 ALA 4.953 0.180 2 0 "[ . 1 . 2]"
2 69 ARG 11.035 0.249 8 0 "[ . 1 . 2]"
2 70 GLU 8.546 0.203 18 0 "[ . 1 . 2]"
2 71 LYS 8.038 0.203 18 0 "[ . 1 . 2]"
2 72 LEU 7.843 0.249 8 0 "[ . 1 . 2]"
2 73 HIS 4.596 0.180 2 0 "[ . 1 . 2]"
2 74 GLY 1.008 0.088 14 0 "[ . 1 . 2]"
2 75 THR 3.209 0.137 4 0 "[ . 1 . 2]"
2 76 VAL 7.561 0.298 16 0 "[ . 1 . 2]"
2 77 VAL 4.427 0.224 15 0 "[ . 1 . 2]"
2 78 GLU 4.377 0.131 7 0 "[ . 1 . 2]"
2 79 GLY 2.490 0.131 7 0 "[ . 1 . 2]"
2 80 ARG 6.005 0.457 3 0 "[ . 1 . 2]"
2 81 LYS 4.415 0.120 19 0 "[ . 1 . 2]"
2 82 ILE 8.246 0.147 8 0 "[ . 1 . 2]"
2 83 GLU 3.936 0.162 16 0 "[ . 1 . 2]"
2 84 VAL 3.131 0.099 5 0 "[ . 1 . 2]"
2 85 ASN 2.813 0.492 16 0 "[ . 1 . 2]"
2 86 ASN 1.344 0.149 19 0 "[ . 1 . 2]"
2 87 ALA 15.414 0.450 10 0 "[ . 1 . 2]"
2 88 THR 7.483 0.294 13 0 "[ . 1 . 2]"
2 89 ALA 0.849 0.140 7 0 "[ . 1 . 2]"
2 90 ARG 10.734 0.470 11 0 "[ . 1 . 2]"
2 91 VAL 1.699 0.395 7 0 "[ . 1 . 2]"
2 92 MET 2.910 0.395 7 0 "[ . 1 . 2]"
2 93 THR 0.628 0.149 11 0 "[ . 1 . 2]"
2 94 ASN 0.878 0.134 14 0 "[ . 1 . 2]"
2 95 LYS 1.997 0.197 4 0 "[ . 1 . 2]"
2 96 LYS 0.380 0.083 12 0 "[ . 1 . 2]"
2 97 THR 1.435 0.194 18 0 "[ . 1 . 2]"
2 98 VAL 0.146 0.056 11 0 "[ . 1 . 2]"
2 99 ASN 0.372 0.161 20 0 "[ . 1 . 2]"
2 100 PRO 0.817 0.127 5 0 "[ . 1 . 2]"
2 101 TYR 5.460 0.214 14 0 "[ . 1 . 2]"
2 102 THR 1.302 0.121 6 0 "[ . 1 . 2]"
2 103 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 104 GLY 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 1 G H1' 1 1 G H2' . . 3.500 2.715 2.674 2.741 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H1' 1 1 G H3' . . 4.000 3.815 3.722 3.977 . 0 0 "[ . 1 . 2]" 1
3 1 1 G H1' 1 1 G H4' . . 4.000 3.530 3.342 3.921 . 0 0 "[ . 1 . 2]" 1
4 1 1 G H1' 1 1 G H5' . . 4.500 4.639 4.526 4.714 0.214 17 0 "[ . 1 . 2]" 1
5 1 1 G H1' 1 1 G H5'' . . 4.500 4.578 4.006 5.157 0.657 19 2 "[ . 1 . -+2]" 1
6 1 1 G H1' 1 1 G H8 . . 4.000 3.868 3.763 3.917 . 0 0 "[ . 1 . 2]" 1
7 1 1 G H1' 1 2 G H8 . . 4.500 4.337 2.931 5.156 0.656 12 1 "[ . 1 + . 2]" 1
8 1 1 G H2' 1 1 G H3' . . 3.500 2.398 2.337 2.440 . 0 0 "[ . 1 . 2]" 1
9 1 1 G H2' 1 1 G H4' . . 4.500 3.875 3.747 4.100 . 0 0 "[ . 1 . 2]" 1
10 1 1 G H2' 1 1 G H5' . . 5.500 4.484 4.037 5.364 . 0 0 "[ . 1 . 2]" 1
11 1 1 G H2' 1 1 G H8 . . 3.500 3.258 2.318 3.731 0.231 12 0 "[ . 1 . 2]" 1
12 1 1 G H2' 1 2 G H1' . . 5.000 4.861 4.127 5.217 0.217 20 0 "[ . 1 . 2]" 1
13 1 1 G H2' 1 2 G H8 . . 4.500 2.520 1.893 3.464 . 0 0 "[ . 1 . 2]" 1
14 1 1 G H3' 1 1 G H4' . . 3.500 2.994 2.883 3.021 . 0 0 "[ . 1 . 2]" 1
15 1 1 G H3' 1 1 G H8 . . 3.500 2.108 1.810 2.676 . 0 0 "[ . 1 . 2]" 1
16 1 1 G H3' 1 2 G H8 . . 4.500 4.149 1.849 4.680 0.180 16 0 "[ . 1 . 2]" 1
17 1 1 G H4' 1 1 G H5'' . . 3.500 2.567 2.311 2.896 . 0 0 "[ . 1 . 2]" 1
18 1 1 G H4' 1 1 G H5' . . 4.000 2.945 2.437 3.033 . 0 0 "[ . 1 . 2]" 1
19 1 1 G H4' 1 1 G H8 . . 4.000 4.198 4.102 4.424 0.424 4 0 "[ . 1 . 2]" 1
20 1 1 G H5' 1 1 G H8 . . 4.000 2.553 2.133 4.074 0.074 19 0 "[ . 1 . 2]" 1
21 1 1 G H5'' 1 1 G H8 . . 4.000 3.629 3.127 4.054 0.054 5 0 "[ . 1 . 2]" 1
22 1 1 G H8 1 2 G H8 . . 5.000 4.580 2.692 5.208 0.208 14 0 "[ . 1 . 2]" 1
23 1 2 G H1' 1 2 G H2' . . 3.500 2.783 2.723 3.052 . 0 0 "[ . 1 . 2]" 1
24 1 2 G H1' 1 2 G H4' . . 4.000 3.288 3.077 3.758 . 0 0 "[ . 1 . 2]" 1
25 1 2 G H1' 1 2 G H5'' . . 5.000 4.670 4.082 5.154 0.154 17 0 "[ . 1 . 2]" 1
26 1 2 G H1' 1 2 G H5' . . 5.500 5.043 4.510 5.272 . 0 0 "[ . 1 . 2]" 1
27 1 2 G H1' 1 2 G H8 . . 4.000 3.831 3.655 3.923 . 0 0 "[ . 1 . 2]" 1
28 1 2 G H1 1 3 U H3 . . 5.000 3.484 3.249 3.663 . 0 0 "[ . 1 . 2]" 1
29 1 2 G H1' 1 3 U H6 . . 4.500 4.599 3.684 4.743 0.243 1 0 "[ . 1 . 2]" 1
30 1 2 G H1 1 3 U H6 . . 6.000 5.588 5.101 6.093 0.093 20 0 "[ . 1 . 2]" 1
31 1 2 G H1 1 21 A H2' . . 6.500 6.504 6.205 6.649 0.149 8 0 "[ . 1 . 2]" 1
32 1 2 G H1 1 22 C H1' . . 5.500 5.088 4.878 5.390 . 0 0 "[ . 1 . 2]" 1
33 1 2 G H1 1 22 C H2' . . 5.500 4.542 4.284 4.853 . 0 0 "[ . 1 . 2]" 1
34 1 2 G H1 1 22 C H41 . . 3.500 2.587 2.222 2.891 . 0 0 "[ . 1 . 2]" 1
35 1 2 G H1 1 22 C H42 . . 4.500 4.096 3.773 4.373 . 0 0 "[ . 1 . 2]" 1
36 1 2 G H1 1 22 C H5 . . 5.000 5.051 4.899 5.183 0.183 17 0 "[ . 1 . 2]" 1
37 1 2 G H1 1 22 C H6 . . 5.500 5.624 5.551 5.670 0.170 5 0 "[ . 1 . 2]" 1
38 1 2 G H1 1 23 C H1' . . 4.500 4.510 3.992 4.979 0.479 20 0 "[ . 1 . 2]" 1
39 1 2 G H1 1 23 C H2' . . 6.000 4.407 2.893 6.018 0.018 2 0 "[ . 1 . 2]" 1
40 1 2 G H1 1 23 C H42 . . 5.000 5.061 4.663 5.230 0.230 20 0 "[ . 1 . 2]" 1
41 1 2 G H1 1 23 C H5 . . 5.500 4.202 3.429 5.030 . 0 0 "[ . 1 . 2]" 1
42 1 2 G H1 1 23 C H6 . . 5.000 4.000 3.161 4.953 . 0 0 "[ . 1 . 2]" 1
43 1 2 G H2' 1 2 G H8 . . 3.500 3.577 2.437 3.799 0.299 16 0 "[ . 1 . 2]" 1
44 1 2 G H2' 1 3 U H5 . . 4.500 3.924 3.140 4.517 0.017 1 0 "[ . 1 . 2]" 1
45 1 2 G H2' 1 3 U H6 . . 3.500 2.302 1.907 3.776 0.276 19 0 "[ . 1 . 2]" 1
46 1 2 G H4' 1 2 G H5'' . . 4.000 2.883 2.226 3.045 . 0 0 "[ . 1 . 2]" 1
47 1 2 G H4' 1 2 G H8 . . 5.000 4.366 4.111 4.771 . 0 0 "[ . 1 . 2]" 1
48 1 2 G H5' 1 2 G H5'' . . 3.000 1.766 1.750 1.801 . 0 0 "[ . 1 . 2]" 1
49 1 2 G H5' 1 2 G H8 . . 4.000 4.013 3.072 4.183 0.183 8 0 "[ . 1 . 2]" 1
50 1 2 G H5'' 1 2 G H8 . . 4.500 3.048 2.462 4.667 0.167 20 0 "[ . 1 . 2]" 1
51 1 2 G H8 1 3 U H6 . . 5.000 4.851 4.490 5.187 0.187 5 0 "[ . 1 . 2]" 1
52 1 3 U H1' 1 3 U H2' . . 3.500 2.730 2.701 2.776 . 0 0 "[ . 1 . 2]" 1
53 1 3 U H1' 1 3 U H3 . . 5.000 4.633 4.536 4.705 . 0 0 "[ . 1 . 2]" 1
54 1 3 U H1' 1 3 U H4' . . 4.000 3.411 3.142 3.565 . 0 0 "[ . 1 . 2]" 1
55 1 3 U H1' 1 3 U H5'' . . 4.500 4.654 4.512 5.106 0.606 13 4 "[ . 1* + . * -]" 1
56 1 3 U H1' 1 3 U H5' . . 5.000 5.115 4.787 5.244 0.244 7 0 "[ . 1 . 2]" 1
57 1 3 U H1' 1 3 U H6 . . 4.000 3.601 3.518 3.689 . 0 0 "[ . 1 . 2]" 1
58 1 3 U H1' 1 4 A H8 . . 4.500 4.678 4.563 4.825 0.325 10 0 "[ . 1 . 2]" 1
59 1 3 U H2' 1 3 U H3' . . 3.500 2.430 2.392 2.471 . 0 0 "[ . 1 . 2]" 1
60 1 3 U H2' 1 4 A H1' . . 4.000 4.114 3.847 4.192 0.192 17 0 "[ . 1 . 2]" 1
61 1 3 U H2' 1 4 A H8 . . 3.000 2.243 2.049 2.534 . 0 0 "[ . 1 . 2]" 1
62 1 3 U H3' 1 3 U H5 . . 4.500 4.575 4.467 4.644 0.144 11 0 "[ . 1 . 2]" 1
63 1 3 U H3' 1 3 U H6 . . 3.500 2.869 2.612 3.074 . 0 0 "[ . 1 . 2]" 1
64 1 3 U H3 1 4 A H1' . . 5.500 4.849 4.510 5.215 . 0 0 "[ . 1 . 2]" 1
65 1 3 U H3 1 4 A H2 . . 5.500 5.491 5.393 5.553 0.053 8 0 "[ . 1 . 2]" 1
66 1 3 U H3' 1 4 A H8 . . 3.500 3.239 2.736 3.724 0.224 19 0 "[ . 1 . 2]" 1
67 1 3 U H3 1 4 A H8 . . 6.000 4.106 3.722 4.435 . 0 0 "[ . 1 . 2]" 1
68 1 3 U H3 1 21 A H2 . . 3.500 2.677 2.606 2.820 . 0 0 "[ . 1 . 2]" 1
69 1 3 U H3 1 21 A H2' . . 6.500 6.408 6.285 6.568 0.068 3 0 "[ . 1 . 2]" 1
70 1 3 U H3 1 21 A H61 . . 5.000 2.547 2.343 2.667 . 0 0 "[ . 1 . 2]" 1
71 1 3 U H3 1 21 A H62 . . 5.000 4.108 3.909 4.222 . 0 0 "[ . 1 . 2]" 1
72 1 3 U H3 1 22 C H1' . . 5.500 5.521 5.401 5.632 0.132 15 0 "[ . 1 . 2]" 1
73 1 3 U H3 1 22 C H41 . . 5.500 4.097 3.643 4.535 . 0 0 "[ . 1 . 2]" 1
74 1 3 U H3 1 22 C H5 . . 6.500 6.152 5.768 6.512 0.012 18 0 "[ . 1 . 2]" 1
75 1 3 U H4' 1 3 U H6 . . 5.000 3.999 3.925 4.162 . 0 0 "[ . 1 . 2]" 1
76 1 3 U H3 1 3 U H5 . . 5.000 4.182 4.174 4.188 . 0 0 "[ . 1 . 2]" 1
77 1 3 U H5 1 3 U H6 . . 3.500 2.430 2.427 2.437 . 0 0 "[ . 1 . 2]" 1
78 1 3 U H5'' 1 3 U H6 . . 4.000 2.524 1.981 4.042 0.042 20 0 "[ . 1 . 2]" 1
79 1 3 U H5' 1 3 U H6 . . 5.000 3.753 3.448 4.251 . 0 0 "[ . 1 . 2]" 1
80 1 3 U H3 1 3 U H6 . . 6.500 4.819 4.812 4.830 . 0 0 "[ . 1 . 2]" 1
81 1 3 U H6 1 4 A H8 . . 5.000 4.802 4.296 5.125 0.125 16 0 "[ . 1 . 2]" 1
82 1 4 A H1' 1 4 A H2' . . 3.500 2.748 2.685 2.800 . 0 0 "[ . 1 . 2]" 1
83 1 4 A H1' 1 4 A H2 . . 5.000 4.753 4.644 4.879 . 0 0 "[ . 1 . 2]" 1
84 1 4 A H1' 1 4 A H3' . . 4.000 3.810 3.741 3.832 . 0 0 "[ . 1 . 2]" 1
85 1 4 A H1' 1 4 A H4' . . 4.000 3.459 3.237 3.653 . 0 0 "[ . 1 . 2]" 1
86 1 4 A H1' 1 4 A H5'' . . 5.500 4.857 4.443 5.276 . 0 0 "[ . 1 . 2]" 1
87 1 4 A H1' 1 4 A H8 . . 4.000 3.754 3.697 3.786 . 0 0 "[ . 1 . 2]" 1
88 1 4 A H1' 1 5 G H1' . . 5.000 5.034 4.723 5.169 0.169 6 0 "[ . 1 . 2]" 1
89 1 4 A H1' 1 5 G H5'' . . 6.000 6.064 5.957 6.339 0.339 15 0 "[ . 1 . 2]" 1
90 1 4 A H1' 1 5 G H8 . . 4.500 4.574 4.411 4.674 0.174 1 0 "[ . 1 . 2]" 1
91 1 4 A H1' 1 21 A H2 . . 3.500 3.528 3.358 3.624 0.124 9 0 "[ . 1 . 2]" 1
92 1 4 A H2' 1 4 A H3' . . 3.500 2.327 2.290 2.364 . 0 0 "[ . 1 . 2]" 1
93 1 4 A H2' 1 4 A H4' . . 4.500 3.837 3.729 3.916 . 0 0 "[ . 1 . 2]" 1
94 1 4 A H2' 1 4 A H5'' . . 4.500 4.753 4.343 5.059 0.559 9 5 "[ - . * +1 *. * 2]" 1
95 1 4 A H2' 1 4 A H8 . . 4.000 4.023 3.867 4.213 0.213 15 0 "[ . 1 . 2]" 1
96 1 4 A H2 1 5 G H1' . . 3.500 2.694 2.421 3.064 . 0 0 "[ . 1 . 2]" 1
97 1 4 A H2' 1 5 G H1' . . 4.500 3.834 3.702 3.988 . 0 0 "[ . 1 . 2]" 1
98 1 4 A H2 1 5 G H1 . . 5.500 5.402 5.162 5.511 0.011 2 0 "[ . 1 . 2]" 1
99 1 4 A H2 1 5 G H2' . . 5.000 4.733 4.472 5.024 0.024 9 0 "[ . 1 . 2]" 1
100 1 4 A H2' 1 5 G H5'' . . 4.000 3.395 3.208 4.105 0.105 15 0 "[ . 1 . 2]" 1
101 1 4 A H2' 1 5 G H5' . . 4.500 4.381 2.941 4.593 0.093 6 0 "[ . 1 . 2]" 1
102 1 4 A H2' 1 5 G H8 . . 3.000 2.049 1.908 2.218 . 0 0 "[ . 1 . 2]" 1
103 1 4 A H2 1 5 G H8 . . 6.000 4.597 4.466 4.835 . 0 0 "[ . 1 . 2]" 1
104 1 4 A H2 1 6 U H6 . . 6.000 6.126 6.045 6.189 0.189 17 0 "[ . 1 . 2]" 1
105 1 4 A H2 1 21 A H1' . . 3.500 3.527 3.366 3.581 0.081 18 0 "[ . 1 . 2]" 1
106 1 4 A H2 1 21 A H2 . . 5.500 4.054 3.906 4.317 . 0 0 "[ . 1 . 2]" 1
107 1 4 A H3' 1 4 A H8 . . 3.000 3.045 2.809 3.208 0.208 6 0 "[ . 1 . 2]" 1
108 1 4 A H3' 1 5 G H8 . . 3.500 3.149 2.606 3.502 0.002 17 0 "[ . 1 . 2]" 1
109 1 4 A H4' 1 4 A H8 . . 4.500 4.245 4.070 4.412 . 0 0 "[ . 1 . 2]" 1
110 1 4 A H5'' 1 4 A H8 . . 4.500 3.192 1.941 4.468 . 0 0 "[ . 1 . 2]" 1
111 1 4 A H5' 1 4 A H8 . . 4.500 3.605 3.433 3.934 . 0 0 "[ . 1 . 2]" 1
112 1 4 A H8 1 5 G H8 . . 5.000 4.795 4.580 5.074 0.074 1 0 "[ . 1 . 2]" 1
113 1 5 G H1' 1 5 G H2' . . 3.500 2.708 2.675 2.735 . 0 0 "[ . 1 . 2]" 1
114 1 5 G H1' 1 5 G H3' . . 4.000 3.828 3.748 3.889 . 0 0 "[ . 1 . 2]" 1
115 1 5 G H1' 1 5 G H4' . . 4.000 3.610 3.385 3.747 . 0 0 "[ . 1 . 2]" 1
116 1 5 G H1' 1 5 G H5' . . 5.000 5.205 4.872 5.249 0.249 9 0 "[ . 1 . 2]" 1
117 1 5 G H1' 1 5 G H5'' . . 5.000 4.534 4.359 5.155 0.155 15 0 "[ . 1 . 2]" 1
118 1 5 G H1' 1 5 G H8 . . 4.000 3.641 3.606 3.708 . 0 0 "[ . 1 . 2]" 1
119 1 5 G H1' 1 6 U H5 . . 5.000 5.227 5.068 5.409 0.409 1 0 "[ . 1 . 2]" 1
120 1 5 G H1' 1 6 U H6 . . 4.500 4.538 4.451 4.612 0.112 6 0 "[ . 1 . 2]" 1
121 1 5 G H2' 1 5 G H3' . . 3.500 2.411 2.379 2.429 . 0 0 "[ . 1 . 2]" 1
122 1 5 G H2' 1 5 G H5'' . . 4.500 4.416 4.257 4.741 0.241 15 0 "[ . 1 . 2]" 1
123 1 5 G H2' 1 5 G H8 . . 4.500 4.379 4.180 4.472 . 0 0 "[ . 1 . 2]" 1
124 1 5 G H2' 1 6 U H5 . . 4.000 3.608 3.382 3.698 . 0 0 "[ . 1 . 2]" 1
125 1 5 G H2' 1 6 U H6 . . 3.500 2.026 1.929 2.152 . 0 0 "[ . 1 . 2]" 1
126 1 5 G H3' 1 5 G H5' . . 5.000 2.849 2.686 3.727 . 0 0 "[ . 1 . 2]" 1
127 1 5 G H3' 1 5 G H8 . . 3.500 3.453 3.142 3.604 0.104 16 0 "[ . 1 . 2]" 1
128 1 5 G H3' 1 6 U H5 . . 4.500 2.742 2.373 3.110 . 0 0 "[ . 1 . 2]" 1
129 1 5 G H3' 1 6 U H6 . . 4.000 2.687 2.288 3.025 . 0 0 "[ . 1 . 2]" 1
130 1 5 G H4' 1 5 G H8 . . 4.500 4.231 4.127 4.357 . 0 0 "[ . 1 . 2]" 1
131 1 5 G H5'' 1 5 G H8 . . 4.000 2.491 2.117 4.124 0.124 14 0 "[ . 1 . 2]" 1
132 1 5 G H5' 1 5 G H8 . . 5.000 3.980 3.716 4.301 . 0 0 "[ . 1 . 2]" 1
133 1 5 G H8 1 6 U H5 . . 5.000 3.869 3.546 4.814 . 0 0 "[ . 1 . 2]" 1
134 1 6 U H1' 1 6 U H2' . . 3.500 2.729 2.707 2.746 . 0 0 "[ . 1 . 2]" 1
135 1 6 U H1' 1 6 U H3' . . 4.000 3.785 3.750 3.838 . 0 0 "[ . 1 . 2]" 1
136 1 6 U H1' 1 6 U H4' . . 4.000 3.433 3.398 3.499 . 0 0 "[ . 1 . 2]" 1
137 1 6 U H1' 1 6 U H6 . . 4.000 3.579 3.522 3.614 . 0 0 "[ . 1 . 2]" 1
138 1 6 U H2' 1 6 U H6 . . 4.500 4.048 3.911 4.214 . 0 0 "[ . 1 . 2]" 1
139 1 6 U H2' 1 6 U H3' . . 3.500 2.402 2.383 2.415 . 0 0 "[ . 1 . 2]" 1
140 1 6 U H3' 1 6 U H5 . . 4.500 4.555 4.483 4.594 0.094 19 0 "[ . 1 . 2]" 1
141 1 6 U H3' 1 6 U H6 . . 3.500 2.910 2.789 3.057 . 0 0 "[ . 1 . 2]" 1
142 1 6 U H4' 1 6 U H6 . . 4.000 3.991 3.966 4.025 0.025 17 0 "[ . 1 . 2]" 1
143 1 6 U H5 1 6 U H6 . . 3.500 2.424 2.417 2.431 . 0 0 "[ . 1 . 2]" 1
144 1 6 U H5'' 1 6 U H6 . . 4.500 3.995 3.934 4.096 . 0 0 "[ . 1 . 2]" 1
145 1 6 U H5 1 7 U H5 . . 6.000 4.783 3.860 5.927 . 0 0 "[ . 1 . 2]" 1
146 1 6 U H6 1 7 U H5 . . 6.000 5.738 4.760 6.216 0.216 18 0 "[ . 1 . 2]" 1
147 1 6 U H6 1 7 U H6 . . 6.000 5.954 5.432 6.321 0.321 4 0 "[ . 1 . 2]" 1
148 1 7 U H1' 1 7 U H2' . . 3.500 2.912 2.683 3.083 . 0 0 "[ . 1 . 2]" 1
149 1 7 U H1' 1 7 U H3' . . 4.500 3.825 3.758 3.939 . 0 0 "[ . 1 . 2]" 1
150 1 7 U H1' 1 7 U H5 . . 5.500 5.371 4.620 5.465 . 0 0 "[ . 1 . 2]" 1
151 1 7 U H1' 1 7 U H6 . . 4.000 3.630 2.352 3.784 . 0 0 "[ . 1 . 2]" 1
152 1 7 U H1' 1 8 U H5'' . . 5.000 4.453 2.473 5.258 0.258 3 0 "[ . 1 . 2]" 1
153 1 7 U H1' 1 8 U H6 . . 5.500 5.068 3.138 6.890 1.390 16 3 "[ *-. 1 .+ 2]" 1
154 1 7 U H2' 1 7 U H5 . . 5.000 4.610 4.227 5.114 0.114 18 0 "[ . 1 . 2]" 1
155 1 7 U H2' 1 7 U H6 . . 4.500 2.747 1.908 3.671 . 0 0 "[ . 1 . 2]" 1
156 1 7 U H3' 1 7 U H6 . . 4.500 3.363 1.932 4.928 0.428 16 0 "[ . 1 . 2]" 1
157 1 7 U H5 1 7 U H6 . . 3.500 2.434 2.417 2.440 . 0 0 "[ . 1 . 2]" 1
158 1 7 U H5 1 8 U H5 . . 5.500 5.051 2.839 5.620 0.120 3 0 "[ . 1 . 2]" 1
159 1 7 U H5 1 8 U H6 . . 6.500 6.288 4.763 6.944 0.444 1 0 "[ . 1 . 2]" 1
160 1 7 U H6 1 8 U H5'' . . 5.500 5.121 3.798 5.805 0.305 10 0 "[ . 1 . 2]" 1
161 1 8 U H1' 1 8 U H2' . . 3.500 2.896 2.649 3.067 . 0 0 "[ . 1 . 2]" 1
162 1 8 U H1' 1 8 U H3' . . 4.000 4.004 3.776 4.074 0.074 2 0 "[ . 1 . 2]" 1
163 1 8 U H1' 1 8 U H5'' . . 4.500 4.145 3.980 4.451 . 0 0 "[ . 1 . 2]" 1
164 1 8 U H1' 1 8 U H5' . . 5.500 4.778 4.264 5.179 . 0 0 "[ . 1 . 2]" 1
165 1 8 U H1' 1 8 U H6 . . 4.000 2.660 2.306 3.399 . 0 0 "[ . 1 . 2]" 1
166 1 8 U H2' 1 8 U H6 . . 4.000 3.773 1.911 4.422 0.422 17 0 "[ . 1 . 2]" 1
167 1 8 U H3' 1 8 U H6 . . 5.500 5.367 4.191 5.915 0.415 10 0 "[ . 1 . 2]" 1
168 1 8 U H4' 1 9 U H6 . . 5.000 4.498 2.785 5.299 0.299 5 0 "[ . 1 . 2]" 1
169 1 8 U H5'' 1 8 U H6 . . 4.500 4.438 2.857 4.924 0.424 10 0 "[ . 1 . 2]" 1
170 1 8 U H5' 1 8 U H6 . . 6.000 5.491 3.617 6.165 0.165 15 0 "[ . 1 . 2]" 1
171 1 8 U H5 1 8 U H6 . . 3.500 2.443 2.434 2.450 . 0 0 "[ . 1 . 2]" 1
172 1 9 U H1' 1 9 U H2' . . 3.500 3.011 2.900 3.062 . 0 0 "[ . 1 . 2]" 1
173 1 9 U H1' 1 9 U H3' . . 4.500 3.951 3.811 4.082 . 0 0 "[ . 1 . 2]" 1
174 1 9 U H1' 1 9 U H5' . . 5.000 4.539 3.854 5.018 0.018 17 0 "[ . 1 . 2]" 1
175 1 9 U H1' 1 9 U H5 . . 5.500 5.312 5.084 5.440 . 0 0 "[ . 1 . 2]" 1
176 1 9 U H1' 1 9 U H6 . . 4.000 3.547 3.188 3.744 . 0 0 "[ . 1 . 2]" 1
177 1 9 U H1' 1 10 G H8 . . 5.500 3.948 1.937 5.589 0.089 19 0 "[ . 1 . 2]" 1
178 1 9 U H2' 1 9 U H5 . . 4.000 4.212 4.085 4.568 0.568 17 1 "[ . 1 . + 2]" 1
179 1 9 U H2' 1 9 U H6 . . 4.000 2.118 1.803 3.014 . 0 0 "[ . 1 . 2]" 1
180 1 9 U H3' 1 9 U H6 . . 4.000 4.085 4.029 4.297 0.297 17 0 "[ . 1 . 2]" 1
181 1 9 U H4' 1 9 U H6 . . 5.000 4.622 3.738 5.306 0.306 1 0 "[ . 1 . 2]" 1
182 1 9 U H5 1 9 U H5' . . 5.500 5.385 4.280 5.839 0.339 9 0 "[ . 1 . 2]" 1
183 1 9 U H5' 1 9 U H6 . . 5.000 3.703 3.161 4.853 . 0 0 "[ . 1 . 2]" 1
184 1 9 U H5 1 9 U H6 . . 3.500 2.419 2.406 2.433 . 0 0 "[ . 1 . 2]" 1
185 1 9 U H6 1 10 G H1' . . 6.000 6.323 5.926 7.329 1.329 20 4 "[ - 1* . * +]" 1
186 1 10 G H1' 1 10 G H2' . . 4.500 2.787 2.660 3.017 . 0 0 "[ . 1 . 2]" 1
187 1 10 G H1' 1 10 G H3' . . 4.000 3.833 3.761 4.037 0.037 2 0 "[ . 1 . 2]" 1
188 1 10 G H1' 1 10 G H8 . . 4.000 3.329 2.788 3.869 . 0 0 "[ . 1 . 2]" 1
189 1 10 G H2' 1 10 G H8 . . 4.500 4.266 2.564 4.731 0.231 19 0 "[ . 1 . 2]" 1
190 1 10 G H3' 1 10 G H8 . . 5.000 4.152 2.122 5.196 0.196 3 0 "[ . 1 . 2]" 1
191 1 10 G H3' 1 11 G H8 . . 6.500 5.517 4.534 6.437 . 0 0 "[ . 1 . 2]" 1
192 1 10 G H4' 1 10 G H8 . . 4.500 4.693 4.121 5.786 1.286 20 3 "[ .- 1 . * +]" 1
193 1 10 G Q5' 1 10 G H8 . . 4.500 3.622 2.824 4.383 . 0 0 "[ . 1 . 2]" 1
194 1 11 G H1' 1 11 G H2' . . 4.000 3.043 2.985 3.066 . 0 0 "[ . 1 . 2]" 1
195 1 11 G H1' 1 11 G H3' . . 5.000 3.846 3.770 4.018 . 0 0 "[ . 1 . 2]" 1
196 1 11 G H1' 1 11 G H4' . . 4.500 3.272 2.864 3.715 . 0 0 "[ . 1 . 2]" 1
197 1 11 G H1' 1 11 G H5'' . . 5.000 4.660 4.241 4.993 . 0 0 "[ . 1 . 2]" 1
198 1 11 G H1' 1 11 G H5' . . 6.500 4.787 4.237 5.060 . 0 0 "[ . 1 . 2]" 1
199 1 11 G H1' 1 11 G H8 . . 4.500 3.914 3.885 3.925 . 0 0 "[ . 1 . 2]" 1
200 1 11 G H1' 1 12 C H2' . . 7.000 5.013 4.333 5.782 . 0 0 "[ . 1 . 2]" 1
201 1 11 G H1' 1 12 C H3' . . 6.500 5.798 5.079 6.507 0.007 6 0 "[ . 1 . 2]" 1
202 1 11 G H1' 1 12 C H5' . . 6.000 4.991 3.682 5.697 . 0 0 "[ . 1 . 2]" 1
203 1 11 G H1' 1 12 C H5'' . . 6.000 4.858 3.224 6.252 0.252 12 0 "[ . 1 . 2]" 1
204 1 11 G H2' 1 11 G H8 . . 3.000 2.448 2.150 2.833 . 0 0 "[ . 1 . 2]" 1
205 1 11 G H3' 1 11 G H8 . . 4.500 4.344 3.677 4.555 0.055 14 0 "[ . 1 . 2]" 1
206 1 11 G H3' 1 12 C H5'' . . 5.500 4.567 4.173 5.300 . 0 0 "[ . 1 . 2]" 1
207 1 11 G H4' 1 11 G H8 . . 6.000 4.813 4.345 5.171 . 0 0 "[ . 1 . 2]" 1
208 1 11 G H4' 1 12 C H2' . . 5.000 4.359 3.419 5.036 0.036 5 0 "[ . 1 . 2]" 1
209 1 11 G H4' 1 12 C H3' . . 4.500 4.668 4.412 4.932 0.432 15 0 "[ . 1 . 2]" 1
210 1 11 G H4' 1 12 C H5'' . . 4.000 2.823 2.089 3.982 . 0 0 "[ . 1 . 2]" 1
211 1 11 G H4' 1 12 C H5' . . 4.500 2.937 2.065 3.736 . 0 0 "[ . 1 . 2]" 1
212 1 11 G H4' 1 12 C H5 . . 6.000 5.079 3.533 6.052 0.052 7 0 "[ . 1 . 2]" 1
213 1 11 G H4' 1 12 C H6 . . 5.000 3.711 2.444 4.430 . 0 0 "[ . 1 . 2]" 1
214 1 11 G H5' 1 11 G H8 . . 6.000 4.304 2.185 5.205 . 0 0 "[ . 1 . 2]" 1
215 1 11 G H5'' 1 11 G H8 . . 6.000 3.897 2.135 5.720 . 0 0 "[ . 1 . 2]" 1
216 1 11 G H5' 1 12 C H6 . . 6.500 5.510 3.652 6.587 0.087 19 0 "[ . 1 . 2]" 1
217 1 11 G H8 1 12 C H6 . . 7.000 6.589 5.917 7.075 0.075 11 0 "[ . 1 . 2]" 1
218 1 12 C H1' 1 12 C H2' . . 4.000 3.062 3.027 3.100 . 0 0 "[ . 1 . 2]" 1
219 1 12 C H1' 1 12 C H3' . . 5.500 3.844 3.748 3.948 . 0 0 "[ . 1 . 2]" 1
220 1 12 C H1' 1 12 C H4' . . 3.500 3.165 2.764 3.482 . 0 0 "[ . 1 . 2]" 1
221 1 12 C H1' 1 12 C H5' . . 6.000 4.706 4.374 5.044 . 0 0 "[ . 1 . 2]" 1
222 1 12 C H1' 1 12 C H5 . . 6.000 5.400 5.249 5.451 . 0 0 "[ . 1 . 2]" 1
223 1 12 C H1' 1 12 C H5'' . . 6.500 4.695 4.342 5.098 . 0 0 "[ . 1 . 2]" 1
224 1 12 C H1' 1 12 C H6 . . 4.500 3.708 3.473 3.775 . 0 0 "[ . 1 . 2]" 1
225 1 12 C H1' 1 13 A H8 . . 6.000 5.929 5.347 6.226 0.226 5 0 "[ . 1 . 2]" 1
226 1 12 C H2' 1 12 C H5 . . 6.500 4.297 4.182 4.557 . 0 0 "[ . 1 . 2]" 1
227 1 12 C H2' 1 12 C H6 . . 3.000 2.082 1.876 2.694 . 0 0 "[ . 1 . 2]" 1
228 1 12 C H2' 1 13 A H8 . . 6.500 3.835 3.241 4.240 . 0 0 "[ . 1 . 2]" 1
229 1 12 C H3' 1 12 C H4' . . 4.500 2.802 2.734 2.921 . 0 0 "[ . 1 . 2]" 1
230 1 12 C H3' 1 12 C H5' . . 5.500 2.837 2.037 3.657 . 0 0 "[ . 1 . 2]" 1
231 1 12 C H3' 1 12 C H5 . . 6.500 6.387 6.030 6.604 0.104 4 0 "[ . 1 . 2]" 1
232 1 12 C H3' 1 12 C H6 . . 6.000 4.001 3.599 4.240 . 0 0 "[ . 1 . 2]" 1
233 1 12 C H3' 1 13 A H8 . . 5.000 2.439 2.105 2.947 . 0 0 "[ . 1 . 2]" 1
234 1 12 C H2' 1 12 C H4' . . 5.000 3.850 3.772 3.963 . 0 0 "[ . 1 . 2]" 1
235 1 12 C H5 1 12 C H6 . . 4.500 2.434 2.429 2.442 . 0 0 "[ . 1 . 2]" 1
236 1 12 C H6 1 13 A H8 . . 7.000 5.375 4.755 6.230 . 0 0 "[ . 1 . 2]" 1
237 1 13 A H1' 1 13 A H2' . . 4.500 3.025 3.003 3.047 . 0 0 "[ . 1 . 2]" 1
238 1 13 A H1' 1 13 A H2 . . 5.500 4.511 4.386 4.595 . 0 0 "[ . 1 . 2]" 1
239 1 13 A H1' 1 13 A H3' . . 5.500 3.935 3.900 3.985 . 0 0 "[ . 1 . 2]" 1
240 1 13 A H1' 1 13 A H4' . . 4.500 3.507 2.933 3.670 . 0 0 "[ . 1 . 2]" 1
241 1 13 A H1' 1 13 A H5' . . 5.500 4.825 4.575 5.144 . 0 0 "[ . 1 . 2]" 1
242 1 13 A H1' 1 13 A H5'' . . 5.500 4.842 4.239 5.126 . 0 0 "[ . 1 . 2]" 1
243 1 13 A H1' 1 13 A H8 . . 4.500 3.902 3.871 3.917 . 0 0 "[ . 1 . 2]" 1
244 1 13 A H1' 1 14 U H4' . . 7.000 5.542 5.039 5.954 . 0 0 "[ . 1 . 2]" 1
245 1 13 A H1' 1 14 U H5'' . . 5.500 4.722 4.083 5.017 . 0 0 "[ . 1 . 2]" 1
246 1 13 A H1' 1 14 U H5 . . 6.000 5.986 5.627 6.146 0.146 8 0 "[ . 1 . 2]" 1
247 1 13 A H1' 1 14 U H5' . . 6.500 3.263 2.825 3.515 . 0 0 "[ . 1 . 2]" 1
248 1 13 A H1' 1 14 U H6 . . 7.000 4.651 4.149 4.888 . 0 0 "[ . 1 . 2]" 1
249 1 13 A H2' 1 13 A H8 . . 3.000 2.253 2.028 2.628 . 0 0 "[ . 1 . 2]" 1
250 1 13 A H3' 1 13 A H8 . . 4.000 4.019 3.751 4.137 0.137 2 0 "[ . 1 . 2]" 1
251 1 13 A H4' 1 13 A H8 . . 5.000 4.706 4.332 4.966 . 0 0 "[ . 1 . 2]" 1
252 1 13 A H4' 1 14 U H4' . . 4.500 4.627 4.462 4.919 0.419 7 0 "[ . 1 . 2]" 1
253 1 13 A H4' 1 14 U H5' . . 3.500 2.660 2.384 3.438 . 0 0 "[ . 1 . 2]" 1
254 1 13 A H4' 1 14 U H5'' . . 3.500 2.639 2.512 2.908 . 0 0 "[ . 1 . 2]" 1
255 1 13 A H5' 1 13 A H8 . . 6.000 4.034 3.745 4.814 . 0 0 "[ . 1 . 2]" 1
256 1 13 A H5'' 1 13 A H8 . . 6.000 3.809 2.079 5.295 . 0 0 "[ . 1 . 2]" 1
257 1 14 U H1' 1 14 U H2' . . 4.500 3.031 2.913 3.058 . 0 0 "[ . 1 . 2]" 1
258 1 14 U H1' 1 14 U H3' . . 5.500 3.851 3.797 3.949 . 0 0 "[ . 1 . 2]" 1
259 1 14 U H1' 1 14 U H4' . . 5.000 3.124 2.803 3.271 . 0 0 "[ . 1 . 2]" 1
260 1 14 U H1' 1 14 U H5 . . 5.500 5.371 5.343 5.394 . 0 0 "[ . 1 . 2]" 1
261 1 14 U H1' 1 14 U H6 . . 4.500 3.658 3.621 3.695 . 0 0 "[ . 1 . 2]" 1
262 1 14 U H1' 1 15 G H1 . . 6.000 4.674 4.202 5.144 . 0 0 "[ . 1 . 2]" 1
263 1 14 U H2' 1 14 U H5 . . 5.000 4.746 4.593 4.833 . 0 0 "[ . 1 . 2]" 1
264 1 14 U H2' 1 14 U H6 . . 3.000 3.039 2.839 3.199 0.199 14 0 "[ . 1 . 2]" 1
265 1 14 U H3' 1 14 U H6 . . 4.500 4.446 3.285 4.617 0.117 10 0 "[ . 1 . 2]" 1
266 1 14 U H4' 1 14 U H6 . . 6.000 4.317 4.244 4.447 . 0 0 "[ . 1 . 2]" 1
267 1 14 U H4' 1 15 G H5' . . 4.000 2.625 2.276 4.030 0.030 14 0 "[ . 1 . 2]" 1
268 1 14 U H4' 1 15 G H5'' . . 4.000 4.010 2.981 4.140 0.140 13 0 "[ . 1 . 2]" 1
269 1 14 U H5 1 14 U H6 . . 3.500 2.431 2.421 2.440 . 0 0 "[ . 1 . 2]" 1
270 1 14 U H5' 1 14 U H6 . . 6.500 3.425 3.229 3.966 . 0 0 "[ . 1 . 2]" 1
271 1 14 U H5'' 1 14 U H6 . . 7.000 4.657 4.500 5.069 . 0 0 "[ . 1 . 2]" 1
272 1 15 G H1' 1 15 G H3' . . 5.000 3.838 3.774 3.932 . 0 0 "[ . 1 . 2]" 1
273 1 15 G H1' 1 15 G H4' . . 5.000 2.834 2.659 3.089 . 0 0 "[ . 1 . 2]" 1
274 1 15 G H1' 1 15 G H8 . . 3.000 2.624 2.537 2.778 . 0 0 "[ . 1 . 2]" 1
275 1 15 G H2' 1 15 G H8 . . 4.500 3.856 3.236 4.365 . 0 0 "[ . 1 . 2]" 1
276 1 15 G H3' 1 15 G H8 . . 6.000 5.684 5.185 6.013 0.013 19 0 "[ . 1 . 2]" 1
277 1 15 G H4' 1 15 G H8 . . 6.000 5.365 5.293 5.485 . 0 0 "[ . 1 . 2]" 1
278 1 15 G H4' 1 16 A H8 . . 5.000 2.720 2.056 4.250 . 0 0 "[ . 1 . 2]" 1
279 1 16 A H1' 1 16 A H2' . . 4.500 2.980 2.714 3.047 . 0 0 "[ . 1 . 2]" 1
280 1 16 A H1' 1 16 A H3' . . 4.500 4.010 3.850 4.093 . 0 0 "[ . 1 . 2]" 1
281 1 16 A H1' 1 16 A H4' . . 4.500 3.788 3.590 3.909 . 0 0 "[ . 1 . 2]" 1
282 1 16 A H1' 1 16 A H5'' . . 6.000 4.974 4.140 5.236 . 0 0 "[ . 1 . 2]" 1
283 1 16 A H1' 1 16 A H8 . . 5.000 3.723 3.497 3.913 . 0 0 "[ . 1 . 2]" 1
284 1 16 A H2' 1 16 A H8 . . 6.500 1.982 1.859 2.786 . 0 0 "[ . 1 . 2]" 1
285 1 16 A H5'' 1 16 A H8 . . 4.500 4.393 2.130 4.740 0.240 16 0 "[ . 1 . 2]" 1
286 1 16 A H5' 1 16 A H8 . . 5.000 3.837 2.830 5.126 0.126 1 0 "[ . 1 . 2]" 1
287 1 17 C H1' 1 17 C H2' . . 3.500 2.806 2.720 3.012 . 0 0 "[ . 1 . 2]" 1
288 1 17 C H1' 1 17 C H3' . . 4.000 3.823 3.742 3.936 . 0 0 "[ . 1 . 2]" 1
289 1 17 C H1' 1 17 C H4' . . 3.500 3.272 3.088 3.631 0.131 11 0 "[ . 1 . 2]" 1
290 1 17 C H1' 1 17 C H5'' . . 5.000 4.725 4.305 5.132 0.132 13 0 "[ . 1 . 2]" 1
291 1 17 C H1' 1 17 C H6 . . 4.000 3.691 3.561 3.780 . 0 0 "[ . 1 . 2]" 1
292 1 17 C H1' 1 18 U H6 . . 4.500 4.626 4.302 4.917 0.417 11 0 "[ . 1 . 2]" 1
293 1 17 C H2' 1 17 C H6 . . 4.000 3.340 2.009 4.020 0.020 1 0 "[ . 1 . 2]" 1
294 1 17 C H2' 1 18 U H5 . . 4.500 3.767 2.298 4.509 0.009 14 0 "[ . 1 . 2]" 1
295 1 17 C H2' 1 18 U H6 . . 3.500 2.594 1.988 3.935 0.435 6 0 "[ . 1 . 2]" 1
296 1 17 C H2' 1 17 C H3' . . 3.500 2.388 2.314 2.450 . 0 0 "[ . 1 . 2]" 1
297 1 17 C H3' 1 17 C H5'' . . 4.500 2.749 2.296 3.600 . 0 0 "[ . 1 . 2]" 1
298 1 17 C H3' 1 17 C H6 . . 3.500 2.665 1.987 3.727 0.227 8 0 "[ . 1 . 2]" 1
299 1 17 C H3' 1 18 U H5 . . 4.500 4.053 2.471 4.783 0.283 2 0 "[ . 1 . 2]" 1
300 1 17 C H3' 1 18 U H6 . . 4.000 3.277 1.965 4.105 0.105 10 0 "[ . 1 . 2]" 1
301 1 17 C H4' 1 17 C H6 . . 5.000 4.184 3.952 4.563 . 0 0 "[ . 1 . 2]" 1
302 1 17 C H5 1 17 C H6 . . 3.500 2.435 2.433 2.437 . 0 0 "[ . 1 . 2]" 1
303 1 17 C H5'' 1 17 C H6 . . 4.500 3.060 2.075 4.525 0.025 15 0 "[ . 1 . 2]" 1
304 1 17 C H5' 1 17 C H6 . . 5.000 3.917 2.241 4.960 . 0 0 "[ . 1 . 2]" 1
305 1 18 U H1' 1 18 U H2' . . 3.500 2.756 2.712 2.858 . 0 0 "[ . 1 . 2]" 1
306 1 18 U H1' 1 18 U H3' . . 4.000 3.817 3.775 3.855 . 0 0 "[ . 1 . 2]" 1
307 1 18 U H1' 1 18 U H5'' . . 4.500 4.752 4.512 5.133 0.633 19 5 "[* - * 1 . *+2]" 1
308 1 18 U H1' 1 18 U H5' . . 5.000 5.010 4.462 5.239 0.239 16 0 "[ . 1 . 2]" 1
309 1 18 U H1' 1 18 U H6 . . 4.000 3.621 3.513 3.718 . 0 0 "[ . 1 . 2]" 1
310 1 18 U H1' 1 19 C H6 . . 4.500 4.644 4.547 4.700 0.200 6 0 "[ . 1 . 2]" 1
311 1 18 U H2' 1 18 U H6 . . 4.000 3.887 3.492 4.177 0.177 17 0 "[ . 1 . 2]" 1
312 1 18 U H2' 1 19 C H1' . . 4.000 3.974 3.732 4.080 0.080 1 0 "[ . 1 . 2]" 1
313 1 18 U H2' 1 19 C H5 . . 4.000 3.849 3.214 4.025 0.025 7 0 "[ . 1 . 2]" 1
314 1 18 U H2' 1 19 C H6 . . 3.500 2.085 1.947 2.232 . 0 0 "[ . 1 . 2]" 1
315 1 18 U H3' 1 18 U H5'' . . 4.500 2.627 2.287 3.353 . 0 0 "[ . 1 . 2]" 1
316 1 18 U H3' 1 18 U H6 . . 3.500 2.893 2.361 3.278 . 0 0 "[ . 1 . 2]" 1
317 1 18 U H3' 1 19 C H5 . . 4.500 3.315 2.502 4.527 0.027 7 0 "[ . 1 . 2]" 1
318 1 18 U H3' 1 19 C H6 . . 4.000 2.824 2.205 3.638 . 0 0 "[ . 1 . 2]" 1
319 1 18 U H4' 1 18 U H6 . . 5.500 4.083 3.940 4.306 . 0 0 "[ . 1 . 2]" 1
320 1 18 U H5 1 18 U H6 . . 3.500 2.435 2.429 2.440 . 0 0 "[ . 1 . 2]" 1
321 1 18 U H6 1 19 C H5 . . 5.000 3.813 2.991 4.854 . 0 0 "[ . 1 . 2]" 1
322 1 19 C H1' 1 19 C H2' . . 3.500 2.733 2.717 2.758 . 0 0 "[ . 1 . 2]" 1
323 1 19 C H1' 1 19 C H3' . . 4.000 3.783 3.764 3.830 . 0 0 "[ . 1 . 2]" 1
324 1 19 C H1' 1 19 C H4' . . 3.500 3.359 3.264 3.506 0.006 3 0 "[ . 1 . 2]" 1
325 1 19 C H1' 1 19 C H5' . . 5.000 4.818 4.711 5.241 0.241 3 0 "[ . 1 . 2]" 1
326 1 19 C H1' 1 19 C H6 . . 4.000 3.603 3.541 3.679 . 0 0 "[ . 1 . 2]" 1
327 1 19 C H1' 1 20 U H6 . . 4.500 4.676 4.591 4.728 0.228 16 0 "[ . 1 . 2]" 1
328 1 19 C H2' 1 19 C H3' . . 3.500 2.429 2.397 2.452 . 0 0 "[ . 1 . 2]" 1
329 1 19 C H2' 1 19 C H5 . . 5.500 5.376 5.211 5.479 . 0 0 "[ . 1 . 2]" 1
330 1 19 C H2' 1 19 C H6 . . 4.000 3.991 3.766 4.124 0.124 3 0 "[ . 1 . 2]" 1
331 1 19 C H2' 1 20 U H5 . . 4.000 3.753 3.532 3.855 . 0 0 "[ . 1 . 2]" 1
332 1 19 C H2' 1 20 U H6 . . 3.500 2.151 2.046 2.228 . 0 0 "[ . 1 . 2]" 1
333 1 19 C H3' 1 19 C H6 . . 3.500 2.817 2.423 3.126 . 0 0 "[ . 1 . 2]" 1
334 1 19 C H3' 1 20 U H5 . . 4.000 3.880 3.508 4.046 0.046 11 0 "[ . 1 . 2]" 1
335 1 19 C H3' 1 20 U H6 . . 3.500 3.443 3.212 3.543 0.043 11 0 "[ . 1 . 2]" 1
336 1 19 C H4' 1 19 C H6 . . 5.000 4.035 3.973 4.127 . 0 0 "[ . 1 . 2]" 1
337 1 19 C H5 1 19 C H6 . . 3.500 2.431 2.425 2.436 . 0 0 "[ . 1 . 2]" 1
338 1 19 C H5'' 1 19 C H6 . . 4.000 3.825 2.215 4.072 0.072 16 0 "[ . 1 . 2]" 1
339 1 19 C H5' 1 19 C H6 . . 4.500 3.619 3.320 4.276 . 0 0 "[ . 1 . 2]" 1
340 1 19 C H5 1 20 U H5 . . 6.000 4.009 3.502 4.379 . 0 0 "[ . 1 . 2]" 1
341 1 19 C H6 1 20 U H5 . . 5.500 4.473 3.933 4.831 . 0 0 "[ . 1 . 2]" 1
342 1 20 U H1' 1 20 U H2' . . 3.500 2.763 2.739 2.779 . 0 0 "[ . 1 . 2]" 1
343 1 20 U H1' 1 20 U H3' . . 4.500 3.795 3.762 3.816 . 0 0 "[ . 1 . 2]" 1
344 1 20 U H1' 1 20 U H4' . . 3.500 3.273 3.211 3.308 . 0 0 "[ . 1 . 2]" 1
345 1 20 U H1' 1 20 U H5' . . 4.500 4.661 4.634 4.691 0.191 6 0 "[ . 1 . 2]" 1
346 1 20 U H1' 1 20 U H5'' . . 5.000 5.170 5.153 5.194 0.194 13 0 "[ . 1 . 2]" 1
347 1 20 U H1' 1 20 U H6 . . 3.500 3.609 3.585 3.637 0.137 10 0 "[ . 1 . 2]" 1
348 1 20 U H1' 1 21 A H1' . . 5.500 5.174 4.879 5.557 0.057 13 0 "[ . 1 . 2]" 1
349 1 20 U H1' 1 21 A H8 . . 4.500 4.697 4.633 4.762 0.262 10 0 "[ . 1 . 2]" 1
350 1 20 U H2' 1 20 U H6 . . 4.000 3.876 3.741 4.013 0.013 14 0 "[ . 1 . 2]" 1
351 1 20 U H2' 1 21 A H1' . . 5.000 4.051 3.927 4.145 . 0 0 "[ . 1 . 2]" 1
352 1 20 U H2' 1 21 A H5' . . 4.500 3.923 2.893 4.354 . 0 0 "[ . 1 . 2]" 1
353 1 20 U H2' 1 21 A H8 . . 3.500 2.300 2.139 2.485 . 0 0 "[ . 1 . 2]" 1
354 1 20 U H3' 1 20 U H5 . . 4.500 4.592 4.533 4.644 0.144 17 0 "[ . 1 . 2]" 1
355 1 20 U H3' 1 20 U H6 . . 3.500 2.797 2.693 2.862 . 0 0 "[ . 1 . 2]" 1
356 1 20 U H3' 1 21 A H8 . . 4.000 3.552 3.225 3.806 . 0 0 "[ . 1 . 2]" 1
357 1 20 U H5 1 20 U H6 . . 3.500 2.435 2.431 2.438 . 0 0 "[ . 1 . 2]" 1
358 1 20 U H5' 1 20 U H6 . . 4.000 3.549 3.396 3.749 . 0 0 "[ . 1 . 2]" 1
359 1 20 U H5'' 1 20 U H6 . . 4.000 4.125 4.084 4.156 0.156 12 0 "[ . 1 . 2]" 1
360 1 20 U H6 1 21 A H8 . . 5.000 4.763 4.446 4.989 . 0 0 "[ . 1 . 2]" 1
361 1 21 A H1' 1 21 A H2' . . 3.500 2.652 2.633 2.705 . 0 0 "[ . 1 . 2]" 1
362 1 21 A H1' 1 21 A H3' . . 4.000 3.822 3.777 3.934 . 0 0 "[ . 1 . 2]" 1
363 1 21 A H1' 1 21 A H4' . . 3.500 3.476 3.216 3.565 0.065 6 0 "[ . 1 . 2]" 1
364 1 21 A H1' 1 21 A H5'' . . 4.500 4.631 4.496 5.101 0.601 3 4 "[ + . *1 -*. 2]" 1
365 1 21 A H1' 1 21 A H5' . . 5.500 5.153 4.740 5.267 . 0 0 "[ . 1 . 2]" 1
366 1 21 A H1' 1 21 A H8 . . 4.000 3.743 3.687 3.800 . 0 0 "[ . 1 . 2]" 1
367 1 21 A H1' 1 22 C H1' . . 5.000 5.200 5.107 5.286 0.286 6 0 "[ . 1 . 2]" 1
368 1 21 A H1' 1 22 C H5 . . 5.500 5.593 5.544 5.733 0.233 15 0 "[ . 1 . 2]" 1
369 1 21 A H1' 1 22 C H6 . . 4.500 4.655 4.591 4.775 0.275 18 0 "[ . 1 . 2]" 1
370 1 21 A H2' 1 21 A H8 . . 4.500 4.045 3.809 4.169 . 0 0 "[ . 1 . 2]" 1
371 1 21 A H2 1 22 C H1' . . 3.500 3.533 3.377 3.693 0.193 15 0 "[ . 1 . 2]" 1
372 1 21 A H2' 1 22 C H5 . . 4.000 3.659 3.442 4.069 0.069 18 0 "[ . 1 . 2]" 1
373 1 21 A H2' 1 22 C H6 . . 3.500 2.076 1.969 2.375 . 0 0 "[ . 1 . 2]" 1
374 1 21 A H2' 1 21 A H3' . . 3.500 2.419 2.377 2.440 . 0 0 "[ . 1 . 2]" 1
375 1 21 A H3' 1 21 A H5' . . 4.500 2.904 2.598 3.719 . 0 0 "[ . 1 . 2]" 1
376 1 21 A H3' 1 21 A H8 . . 3.500 3.106 2.855 3.597 0.097 15 0 "[ . 1 . 2]" 1
377 1 21 A H3' 1 22 C H5 . . 4.500 3.365 2.852 3.906 . 0 0 "[ . 1 . 2]" 1
378 1 21 A H3' 1 22 C H6 . . 4.000 2.683 2.060 3.217 . 0 0 "[ . 1 . 2]" 1
379 1 21 A H4' 1 21 A H8 . . 5.500 4.229 4.148 4.380 . 0 0 "[ . 1 . 2]" 1
380 1 21 A H5' 1 21 A H8 . . 4.000 3.905 3.743 4.075 0.075 18 0 "[ . 1 . 2]" 1
381 1 21 A H8 1 22 C H5 . . 5.000 4.145 3.498 4.464 . 0 0 "[ . 1 . 2]" 1
382 1 21 A H8 1 22 C H6 . . 5.000 4.847 4.245 5.048 0.048 16 0 "[ . 1 . 2]" 1
383 1 22 C H1' 1 22 C H2' . . 3.500 2.782 2.753 2.817 . 0 0 "[ . 1 . 2]" 1
384 1 22 C H1' 1 22 C H3' . . 4.000 3.809 3.757 3.857 . 0 0 "[ . 1 . 2]" 1
385 1 22 C H1' 1 22 C H4' . . 3.500 3.279 3.211 3.501 0.001 18 0 "[ . 1 . 2]" 1
386 1 22 C H1' 1 22 C H5' . . 5.000 4.775 4.706 5.172 0.172 18 0 "[ . 1 . 2]" 1
387 1 22 C H1' 1 22 C H6 . . 4.000 3.579 3.477 3.634 . 0 0 "[ . 1 . 2]" 1
388 1 22 C H1' 1 23 C H6 . . 4.500 4.494 4.098 4.889 0.389 18 0 "[ . 1 . 2]" 1
389 1 22 C H2' 1 22 C H3' . . 3.500 2.382 2.302 2.422 . 0 0 "[ . 1 . 2]" 1
390 1 22 C H2' 1 22 C H6 . . 4.000 3.933 3.785 4.155 0.155 18 0 "[ . 1 . 2]" 1
391 1 22 C H2' 1 23 C H1' . . 5.000 5.015 4.203 5.605 0.605 15 1 "[ . 1 + 2]" 1
392 1 22 C H2' 1 23 C H5 . . 5.000 3.051 2.298 3.896 . 0 0 "[ . 1 . 2]" 1
393 1 22 C H2' 1 23 C H6 . . 3.500 2.034 1.851 2.364 . 0 0 "[ . 1 . 2]" 1
394 1 22 C H3' 1 22 C H5 . . 5.000 4.704 4.491 4.902 . 0 0 "[ . 1 . 2]" 1
395 1 22 C H3' 1 22 C H6 . . 3.500 2.947 2.659 3.320 . 0 0 "[ . 1 . 2]" 1
396 1 22 C H3' 1 23 C H5 . . 5.000 4.074 2.945 5.024 0.024 14 0 "[ . 1 . 2]" 1
397 1 22 C H3' 1 23 C H6 . . 4.000 3.066 2.694 3.437 . 0 0 "[ . 1 . 2]" 1
398 1 22 C H4' 1 22 C H6 . . 4.000 4.112 4.043 4.151 0.151 4 0 "[ . 1 . 2]" 1
399 1 22 C H5 1 22 C H6 . . 3.500 2.433 2.425 2.439 . 0 0 "[ . 1 . 2]" 1
400 1 22 C H5' 1 22 C H6 . . 4.000 3.748 3.666 3.876 . 0 0 "[ . 1 . 2]" 1
401 1 22 C H5'' 1 22 C H6 . . 4.500 3.995 2.260 4.279 . 0 0 "[ . 1 . 2]" 1
402 1 22 C H6 1 23 C H5 . . 6.000 4.954 3.332 6.188 0.188 20 0 "[ . 1 . 2]" 1
403 1 23 C H1' 1 23 C H2' . . 3.500 2.735 2.688 2.772 . 0 0 "[ . 1 . 2]" 1
404 1 23 C H1' 1 23 C H3' . . 4.000 3.859 3.806 3.935 . 0 0 "[ . 1 . 2]" 1
405 1 23 C H1' 1 23 C H4' . . 3.500 3.435 3.268 3.785 0.285 16 0 "[ . 1 . 2]" 1
406 1 23 C H1' 1 23 C H5' . . 4.500 4.588 4.189 4.659 0.159 14 0 "[ . 1 . 2]" 1
407 1 23 C H1' 1 23 C H5'' . . 5.000 5.169 4.843 5.243 0.243 9 0 "[ . 1 . 2]" 1
408 1 23 C H1' 1 23 C H6 . . 4.000 3.649 3.616 3.725 . 0 0 "[ . 1 . 2]" 1
409 1 23 C H2' 1 23 C H3' . . 3.500 2.381 2.332 2.433 . 0 0 "[ . 1 . 2]" 1
410 1 23 C H2' 1 23 C H5 . . 5.000 4.632 4.180 5.085 0.085 18 0 "[ . 1 . 2]" 1
411 1 23 C H2' 1 23 C H6 . . 3.500 2.844 2.065 3.684 0.184 18 0 "[ . 1 . 2]" 1
412 1 23 C H3' 1 23 C H5 . . 4.500 4.306 4.051 4.559 0.059 18 0 "[ . 1 . 2]" 1
413 1 23 C H3' 1 23 C H6 . . 3.500 2.226 1.847 2.713 . 0 0 "[ . 1 . 2]" 1
414 1 23 C H4' 1 23 C H6 . . 4.000 4.188 4.031 4.365 0.365 6 0 "[ . 1 . 2]" 1
415 1 23 C H3' 1 23 C H5' . . 3.500 3.511 2.651 3.630 0.130 3 0 "[ . 1 . 2]" 1
416 1 23 C H3' 1 23 C H5'' . . 3.500 3.067 2.778 3.600 0.100 7 0 "[ . 1 . 2]" 1
417 1 23 C H4' 1 23 C H5' . . 3.500 2.577 2.466 3.021 . 0 0 "[ . 1 . 2]" 1
418 1 23 C H4' 1 23 C H5'' . . 3.500 2.331 2.202 2.386 . 0 0 "[ . 1 . 2]" 1
419 1 23 C H5 1 23 C H6 . . 3.500 2.424 2.415 2.430 . 0 0 "[ . 1 . 2]" 1
420 1 23 C H5' 1 23 C H6 . . 4.500 3.841 3.017 4.543 0.043 13 0 "[ . 1 . 2]" 1
421 1 23 C H5'' 1 23 C H6 . . 5.000 4.291 4.064 5.065 0.065 6 0 "[ . 1 . 2]" 1
422 2 3 HIS HA 2 3 HIS HB3 . . 2.820 2.637 2.423 3.011 0.191 18 0 "[ . 1 . 2]" 1
423 2 3 HIS HA 2 3 HIS HD2 . . 3.960 3.358 2.614 4.149 0.189 2 0 "[ . 1 . 2]" 1
424 2 4 MET HA 2 4 MET HB3 . . 2.870 2.648 2.269 3.021 0.151 2 0 "[ . 1 . 2]" 1
425 2 4 MET HA 2 4 MET HG2 . . 3.990 3.387 2.463 4.160 0.170 6 0 "[ . 1 . 2]" 1
426 2 4 MET HA 2 4 MET HG3 . . 3.670 3.187 2.347 3.743 0.073 17 0 "[ . 1 . 2]" 1
427 2 5 ASN HB2 2 5 ASN HD21 . . 3.300 2.320 2.127 2.702 . 0 0 "[ . 1 . 2]" 1
428 2 5 ASN HB2 2 5 ASN HD22 . . 3.740 3.470 3.433 3.537 . 0 0 "[ . 1 . 2]" 1
429 2 6 THR H 2 6 THR MG . . 4.370 3.485 2.394 4.074 . 0 0 "[ . 1 . 2]" 1
430 2 6 THR HA 2 6 THR MG . . 2.570 2.320 2.256 2.390 . 0 0 "[ . 1 . 2]" 1
431 2 6 THR HA 2 7 GLU H . . 2.540 2.418 2.166 2.695 0.155 17 0 "[ . 1 . 2]" 1
432 2 6 THR MG 2 7 GLU H . . 4.180 3.510 1.792 4.274 0.094 18 0 "[ . 1 . 2]" 1
433 2 7 GLU H 2 7 GLU HB2 . . 3.040 2.683 2.438 3.200 0.160 16 0 "[ . 1 . 2]" 1
434 2 7 GLU H 2 7 GLU HB3 . . 3.940 3.783 3.568 3.985 0.045 3 0 "[ . 1 . 2]" 1
435 2 7 GLU H 2 7 GLU HG2 . . 4.950 3.998 3.326 4.385 . 0 0 "[ . 1 . 2]" 1
436 2 7 GLU H 2 7 GLU HG3 . . 3.400 3.088 2.162 3.502 0.102 3 0 "[ . 1 . 2]" 1
437 2 7 GLU H 2 8 ASN HB3 . . 5.360 4.869 3.854 5.391 0.031 9 0 "[ . 1 . 2]" 1
438 2 7 GLU HA 2 7 GLU HB3 . . 2.880 2.520 2.465 2.913 0.033 3 0 "[ . 1 . 2]" 1
439 2 7 GLU HA 2 7 GLU HG2 . . 4.030 2.602 2.407 3.708 . 0 0 "[ . 1 . 2]" 1
440 2 7 GLU HA 2 7 GLU HG3 . . 3.090 2.980 2.240 3.136 0.046 9 0 "[ . 1 . 2]" 1
441 2 7 GLU HA 2 8 ASN H . . 3.440 2.959 2.110 3.495 0.055 1 0 "[ . 1 . 2]" 1
442 2 7 GLU HB3 2 7 GLU HG2 . . 2.550 2.473 2.331 2.510 . 0 0 "[ . 1 . 2]" 1
443 2 7 GLU HB3 2 8 ASN H . . 4.530 3.720 2.392 4.479 . 0 0 "[ . 1 . 2]" 1
444 2 7 GLU HB3 2 8 ASN HA . . 5.500 4.787 4.205 5.540 0.040 15 0 "[ . 1 . 2]" 1
445 2 8 ASN H 2 8 ASN HB2 . . 4.050 3.299 2.430 4.008 . 0 0 "[ . 1 . 2]" 1
446 2 8 ASN H 2 8 ASN HB3 . . 3.840 2.981 2.447 3.620 . 0 0 "[ . 1 . 2]" 1
447 2 9 LYS HA 2 9 LYS HB3 . . 2.820 2.997 2.843 3.016 0.196 5 0 "[ . 1 . 2]" 1
448 2 9 LYS HA 2 9 LYS HG3 . . 2.870 2.756 2.391 3.013 0.143 12 0 "[ . 1 . 2]" 1
449 2 9 LYS HA 2 10 SER H . . 2.690 2.338 2.034 3.313 0.623 1 1 "[+ . 1 . 2]" 1
450 2 9 LYS HA 2 10 SER HB3 . . 4.660 4.612 4.314 4.837 0.177 16 0 "[ . 1 . 2]" 1
451 2 9 LYS HB3 2 9 LYS HD3 . . 3.900 3.387 2.580 3.770 . 0 0 "[ . 1 . 2]" 1
452 2 9 LYS HE3 2 9 LYS HG3 . . 3.050 2.695 2.473 3.132 0.082 2 0 "[ . 1 . 2]" 1
453 2 9 LYS HG3 2 10 SER HA . . 4.490 4.405 3.877 4.605 0.115 19 0 "[ . 1 . 2]" 1
454 2 10 SER H 2 10 SER HB3 . . 3.090 3.105 2.585 3.240 0.150 19 0 "[ . 1 . 2]" 1
455 2 10 SER H 2 11 GLN H . . 4.670 4.379 4.062 4.568 . 0 0 "[ . 1 . 2]" 1
456 2 10 SER HA 2 10 SER HB2 . . 2.740 2.419 2.346 2.523 . 0 0 "[ . 1 . 2]" 1
457 2 10 SER HA 2 11 GLN HB2 . . 5.500 5.379 5.096 5.576 0.076 5 0 "[ . 1 . 2]" 1
458 2 10 SER HA 2 11 GLN HB3 . . 5.490 5.402 4.342 5.580 0.090 2 0 "[ . 1 . 2]" 1
459 2 10 SER HA 2 11 GLN HG3 . . 3.890 3.583 3.076 3.903 0.013 2 0 "[ . 1 . 2]" 1
460 2 10 SER HA 2 12 PRO HG2 . . 5.030 5.083 4.941 5.194 0.164 2 0 "[ . 1 . 2]" 1
461 2 10 SER HB2 2 11 GLN H . . 3.650 2.712 2.217 3.514 . 0 0 "[ . 1 . 2]" 1
462 2 10 SER HB2 2 11 GLN HA . . 5.170 4.775 4.324 5.193 0.023 5 0 "[ . 1 . 2]" 1
463 2 10 SER HB2 2 11 GLN HG3 . . 4.630 4.490 3.604 4.737 0.107 5 0 "[ . 1 . 2]" 1
464 2 10 SER HB2 2 12 PRO HB2 . . 5.500 5.358 4.882 5.682 0.182 16 0 "[ . 1 . 2]" 1
465 2 10 SER HB2 2 12 PRO HG2 . . 4.700 3.589 2.831 4.183 . 0 0 "[ . 1 . 2]" 1
466 2 11 GLN H 2 11 GLN HB2 . . 3.500 3.315 3.226 3.544 0.044 5 0 "[ . 1 . 2]" 1
467 2 11 GLN H 2 11 GLN HB3 . . 3.610 3.592 2.400 3.851 0.241 19 0 "[ . 1 . 2]" 1
468 2 11 GLN H 2 11 GLN HG3 . . 4.080 2.148 1.857 2.514 . 0 0 "[ . 1 . 2]" 1
469 2 11 GLN H 2 12 PRO HD3 . . 4.270 3.042 2.417 3.491 . 0 0 "[ . 1 . 2]" 1
470 2 11 GLN HA 2 11 GLN HG3 . . 3.620 3.688 3.667 3.746 0.126 5 0 "[ . 1 . 2]" 1
471 2 11 GLN HB2 2 12 PRO HD3 . . 4.360 2.154 2.027 3.852 . 0 0 "[ . 1 . 2]" 1
472 2 11 GLN HB3 2 12 PRO HD3 . . 3.460 3.676 3.649 3.728 0.268 5 0 "[ . 1 . 2]" 1
473 2 11 GLN HE22 2 12 PRO HD3 . . 5.310 4.230 3.611 4.394 . 0 0 "[ . 1 . 2]" 1
474 2 11 GLN HE21 2 12 PRO HD3 . . 4.240 2.794 2.478 3.065 . 0 0 "[ . 1 . 2]" 1
475 2 11 GLN HE21 2 12 PRO HG2 . . 5.080 5.085 4.713 5.117 0.037 17 0 "[ . 1 . 2]" 1
476 2 11 GLN HE22 2 11 GLN HG3 . . 3.640 3.560 3.550 3.621 . 0 0 "[ . 1 . 2]" 1
477 2 11 GLN HE21 2 11 GLN HG3 . . 3.480 2.320 2.286 2.475 . 0 0 "[ . 1 . 2]" 1
478 2 11 GLN HG3 2 12 PRO HD2 . . 3.750 2.566 2.440 3.584 . 0 0 "[ . 1 . 2]" 1
479 2 11 GLN HG3 2 12 PRO HD3 . . 3.250 2.590 1.969 2.887 . 0 0 "[ . 1 . 2]" 1
480 2 11 GLN HG3 2 12 PRO HG2 . . 4.650 4.675 4.621 4.739 0.089 5 0 "[ . 1 . 2]" 1
481 2 12 PRO HA 2 13 LYS H . . 2.780 2.489 2.408 2.601 . 0 0 "[ . 1 . 2]" 1
482 2 12 PRO HA 2 40 LEU MD2 . . 5.420 3.990 3.655 4.124 . 0 0 "[ . 1 . 2]" 1
483 2 12 PRO HA 2 58 THR MG . . 5.720 4.407 4.258 4.746 . 0 0 "[ . 1 . 2]" 1
484 2 12 PRO HA 2 59 PHE H . . 5.000 4.999 4.768 5.095 0.095 7 0 "[ . 1 . 2]" 1
485 2 12 PRO HA 2 60 GLU HA . . 5.560 3.715 3.421 3.988 . 0 0 "[ . 1 . 2]" 1
486 2 12 PRO HA 2 62 SER H . . 5.270 4.397 4.084 4.706 . 0 0 "[ . 1 . 2]" 1
487 2 12 PRO HB2 2 13 LYS H . . 3.410 2.178 2.031 2.296 . 0 0 "[ . 1 . 2]" 1
488 2 12 PRO HB2 2 40 LEU MD2 . . 3.320 3.074 2.727 3.336 0.016 5 0 "[ . 1 . 2]" 1
489 2 12 PRO HB2 2 58 THR MG . . 4.040 2.243 2.096 2.660 . 0 0 "[ . 1 . 2]" 1
490 2 12 PRO HB3 2 13 LYS H . . 3.050 3.186 3.124 3.248 0.198 14 0 "[ . 1 . 2]" 1
491 2 12 PRO HB3 2 40 LEU MD2 . . 3.390 2.162 2.090 2.281 . 0 0 "[ . 1 . 2]" 1
492 2 12 PRO HB3 2 58 THR MG . . 3.800 3.176 2.863 3.619 . 0 0 "[ . 1 . 2]" 1
493 2 12 PRO HB3 2 59 PHE H . . 5.460 4.626 4.360 4.826 . 0 0 "[ . 1 . 2]" 1
494 2 12 PRO HG2 2 13 LYS H . . 4.550 4.007 3.698 4.217 . 0 0 "[ . 1 . 2]" 1
495 2 12 PRO HG2 2 13 LYS HA . . 4.910 4.697 4.063 4.953 0.043 16 0 "[ . 1 . 2]" 1
496 2 12 PRO HG2 2 40 LEU MD2 . . 4.130 3.915 3.533 4.167 0.037 2 0 "[ . 1 . 2]" 1
497 2 12 PRO HG2 2 58 THR MG . . 3.800 3.166 2.755 3.799 . 0 0 "[ . 1 . 2]" 1
498 2 12 PRO HG2 2 59 PHE H . . 5.500 5.629 5.470 5.721 0.221 16 0 "[ . 1 . 2]" 1
499 2 13 LYS H 2 13 LYS HB2 . . 3.860 3.172 2.808 3.386 . 0 0 "[ . 1 . 2]" 1
500 2 13 LYS H 2 13 LYS HB3 . . 3.330 2.832 2.588 3.253 . 0 0 "[ . 1 . 2]" 1
501 2 13 LYS H 2 14 ARG H . . 4.510 4.393 4.182 4.500 . 0 0 "[ . 1 . 2]" 1
502 2 13 LYS H 2 14 ARG HA . . 5.090 4.887 4.805 5.026 . 0 0 "[ . 1 . 2]" 1
503 2 13 LYS H 2 40 LEU MD2 . . 4.880 4.463 3.992 4.750 . 0 0 "[ . 1 . 2]" 1
504 2 13 LYS H 2 58 THR HA . . 4.690 4.483 4.166 4.617 . 0 0 "[ . 1 . 2]" 1
505 2 13 LYS H 2 58 THR MG . . 3.800 3.226 2.895 3.503 . 0 0 "[ . 1 . 2]" 1
506 2 13 LYS H 2 59 PHE H . . 4.010 2.898 2.787 3.031 . 0 0 "[ . 1 . 2]" 1
507 2 13 LYS H 2 59 PHE HB2 . . 4.470 3.579 3.445 3.684 . 0 0 "[ . 1 . 2]" 1
508 2 13 LYS H 2 59 PHE HB3 . . 4.200 4.152 3.963 4.246 0.046 1 0 "[ . 1 . 2]" 1
509 2 13 LYS HA 2 13 LYS HG2 . . 4.300 3.720 2.242 3.886 . 0 0 "[ . 1 . 2]" 1
510 2 13 LYS HA 2 13 LYS HG3 . . 4.000 3.075 2.587 3.389 . 0 0 "[ . 1 . 2]" 1
511 2 13 LYS HA 2 14 ARG H . . 3.420 2.244 2.035 2.417 . 0 0 "[ . 1 . 2]" 1
512 2 13 LYS HB2 2 62 SER HA . . 4.070 2.613 2.314 3.316 . 0 0 "[ . 1 . 2]" 1
513 2 13 LYS HB3 2 62 SER HA . . 4.220 2.679 2.476 2.999 . 0 0 "[ . 1 . 2]" 1
514 2 13 LYS HB3 2 62 SER HB3 . . 4.410 3.960 3.112 4.440 0.030 11 0 "[ . 1 . 2]" 1
515 2 13 LYS HB3 2 65 ALA MB . . 4.740 2.348 2.164 2.765 . 0 0 "[ . 1 . 2]" 1
516 2 13 LYS HD2 2 14 ARG H . . 4.180 3.115 2.259 4.378 0.198 18 0 "[ . 1 . 2]" 1
517 2 13 LYS HD2 2 62 SER HB3 . . 4.510 4.095 2.316 4.558 0.048 9 0 "[ . 1 . 2]" 1
518 2 13 LYS HE2 2 14 ARG H . . 4.810 4.572 3.836 4.868 0.058 19 0 "[ . 1 . 2]" 1
519 2 13 LYS HE2 2 62 SER HB2 . . 5.500 4.480 3.348 5.521 0.021 18 0 "[ . 1 . 2]" 1
520 2 13 LYS HE2 2 62 SER HB3 . . 5.500 3.983 2.527 5.365 . 0 0 "[ . 1 . 2]" 1
521 2 13 LYS HG2 2 14 ARG H . . 4.770 4.089 2.109 4.743 . 0 0 "[ . 1 . 2]" 1
522 2 13 LYS HG2 2 62 SER HA . . 4.610 2.691 2.234 4.555 . 0 0 "[ . 1 . 2]" 1
523 2 13 LYS HG2 2 62 SER HB3 . . 4.200 3.246 2.435 4.292 0.092 13 0 "[ . 1 . 2]" 1
524 2 13 LYS HG3 2 14 ARG H . . 3.830 2.790 1.855 3.738 . 0 0 "[ . 1 . 2]" 1
525 2 13 LYS HG3 2 62 SER HA . . 4.790 3.994 3.570 4.762 . 0 0 "[ . 1 . 2]" 1
526 2 13 LYS HG3 2 62 SER HB3 . . 5.310 4.509 2.558 4.930 . 0 0 "[ . 1 . 2]" 1
527 2 14 ARG H 2 14 ARG HB3 . . 4.040 3.417 2.572 3.863 . 0 0 "[ . 1 . 2]" 1
528 2 14 ARG H 2 14 ARG HD2 . . 5.350 5.066 4.274 5.465 0.115 1 0 "[ . 1 . 2]" 1
529 2 14 ARG H 2 15 LEU H . . 4.450 4.471 4.381 4.525 0.075 15 0 "[ . 1 . 2]" 1
530 2 14 ARG H 2 15 LEU MD1 . . 5.130 4.280 3.686 4.879 . 0 0 "[ . 1 . 2]" 1
531 2 14 ARG HA 2 14 ARG HD2 . . 4.890 4.091 2.123 4.880 . 0 0 "[ . 1 . 2]" 1
532 2 14 ARG HA 2 14 ARG HD3 . . 5.270 4.395 2.384 4.996 . 0 0 "[ . 1 . 2]" 1
533 2 14 ARG HA 2 14 ARG HG2 . . 4.010 2.915 2.456 3.835 . 0 0 "[ . 1 . 2]" 1
534 2 14 ARG HA 2 15 LEU H . . 3.270 2.111 2.060 2.167 . 0 0 "[ . 1 . 2]" 1
535 2 14 ARG HA 2 15 LEU MD1 . . 4.660 4.173 3.502 4.635 . 0 0 "[ . 1 . 2]" 1
536 2 14 ARG HA 2 57 VAL H . . 5.420 4.497 4.290 4.694 . 0 0 "[ . 1 . 2]" 1
537 2 14 ARG HA 2 57 VAL MG1 . . 4.700 4.816 4.771 4.859 0.159 14 0 "[ . 1 . 2]" 1
538 2 14 ARG HA 2 58 THR H . . 5.040 4.817 4.621 4.984 . 0 0 "[ . 1 . 2]" 1
539 2 14 ARG HA 2 58 THR HA . . 3.590 2.305 2.146 2.557 . 0 0 "[ . 1 . 2]" 1
540 2 14 ARG HA 2 58 THR MG . . 4.210 3.281 2.901 3.643 . 0 0 "[ . 1 . 2]" 1
541 2 14 ARG HA 2 59 PHE H . . 4.480 3.554 3.381 3.775 . 0 0 "[ . 1 . 2]" 1
542 2 14 ARG HA 2 87 ALA MB . . 4.550 4.264 3.953 4.549 . 0 0 "[ . 1 . 2]" 1
543 2 14 ARG HB3 2 14 ARG HE . . 5.420 3.715 2.649 4.624 . 0 0 "[ . 1 . 2]" 1
544 2 14 ARG HB3 2 87 ALA MB . . 4.260 2.815 2.127 4.268 0.008 18 0 "[ . 1 . 2]" 1
545 2 14 ARG HD2 2 87 ALA MB . . 4.160 3.560 2.071 4.298 0.138 8 0 "[ . 1 . 2]" 1
546 2 14 ARG HE 2 87 ALA MB . . 4.350 3.220 2.384 4.385 0.035 15 0 "[ . 1 . 2]" 1
547 2 14 ARG HG2 2 15 LEU H . . 5.500 4.193 2.601 4.937 . 0 0 "[ . 1 . 2]" 1
548 2 14 ARG HG3 2 15 LEU H . . 5.560 4.522 2.640 5.221 . 0 0 "[ . 1 . 2]" 1
549 2 15 LEU H 2 15 LEU HB2 . . 4.010 2.483 2.209 2.656 . 0 0 "[ . 1 . 2]" 1
550 2 15 LEU H 2 15 LEU HB3 . . 3.390 3.189 2.936 3.450 0.060 10 0 "[ . 1 . 2]" 1
551 2 15 LEU H 2 15 LEU HG . . 4.910 4.754 4.556 4.835 . 0 0 "[ . 1 . 2]" 1
552 2 15 LEU H 2 15 LEU MD1 . . 4.780 3.725 3.185 4.026 . 0 0 "[ . 1 . 2]" 1
553 2 15 LEU H 2 15 LEU MD2 . . 4.950 4.295 3.362 4.480 . 0 0 "[ . 1 . 2]" 1
554 2 15 LEU H 2 56 PHE HA . . 5.190 4.546 4.278 4.774 . 0 0 "[ . 1 . 2]" 1
555 2 15 LEU H 2 56 PHE HB3 . . 5.660 3.837 3.242 4.396 . 0 0 "[ . 1 . 2]" 1
556 2 15 LEU H 2 57 VAL H . . 3.970 2.787 2.556 2.943 . 0 0 "[ . 1 . 2]" 1
557 2 15 LEU H 2 57 VAL HB . . 4.800 3.780 3.556 3.984 . 0 0 "[ . 1 . 2]" 1
558 2 15 LEU H 2 57 VAL MG1 . . 4.930 4.370 4.126 4.527 . 0 0 "[ . 1 . 2]" 1
559 2 15 LEU H 2 57 VAL MG2 . . 5.210 4.931 4.798 5.090 . 0 0 "[ . 1 . 2]" 1
560 2 15 LEU H 2 58 THR H . . 5.310 4.904 4.803 4.977 . 0 0 "[ . 1 . 2]" 1
561 2 15 LEU H 2 58 THR HA . . 4.220 3.458 3.309 3.625 . 0 0 "[ . 1 . 2]" 1
562 2 15 LEU H 2 58 THR MG . . 5.580 4.915 4.646 5.203 . 0 0 "[ . 1 . 2]" 1
563 2 15 LEU H 2 59 PHE H . . 5.300 4.897 4.605 5.086 . 0 0 "[ . 1 . 2]" 1
564 2 15 LEU H 2 65 ALA MB . . 5.460 5.311 4.911 5.465 0.005 14 0 "[ . 1 . 2]" 1
565 2 15 LEU H 2 87 ALA H . . 5.760 4.383 4.102 5.129 . 0 0 "[ . 1 . 2]" 1
566 2 15 LEU H 2 87 ALA MB . . 4.890 3.518 3.314 3.995 . 0 0 "[ . 1 . 2]" 1
567 2 15 LEU HA 2 15 LEU MD1 . . 3.320 2.022 1.969 2.091 . 0 0 "[ . 1 . 2]" 1
568 2 15 LEU HA 2 15 LEU MD2 . . 4.590 3.829 3.794 3.873 . 0 0 "[ . 1 . 2]" 1
569 2 15 LEU HA 2 16 HIS H . . 3.850 2.128 2.015 2.264 . 0 0 "[ . 1 . 2]" 1
570 2 15 LEU HA 2 86 ASN HB2 . . 5.500 5.029 4.642 5.486 . 0 0 "[ . 1 . 2]" 1
571 2 15 LEU HA 2 86 ASN HB3 . . 5.500 5.098 4.574 5.649 0.149 19 0 "[ . 1 . 2]" 1
572 2 15 LEU HA 2 87 ALA H . . 3.670 3.050 2.702 3.615 . 0 0 "[ . 1 . 2]" 1
573 2 15 LEU HB2 2 16 HIS H . . 5.120 4.410 4.054 4.631 . 0 0 "[ . 1 . 2]" 1
574 2 15 LEU HB2 2 57 VAL H . . 5.270 3.916 3.128 4.335 . 0 0 "[ . 1 . 2]" 1
575 2 15 LEU HB2 2 57 VAL HB . . 5.060 3.110 2.517 3.801 . 0 0 "[ . 1 . 2]" 1
576 2 15 LEU HB2 2 58 THR HA . . 4.500 4.140 3.792 4.534 0.034 10 0 "[ . 1 . 2]" 1
577 2 15 LEU HB3 2 15 LEU MD1 . . 3.500 3.235 3.137 3.254 . 0 0 "[ . 1 . 2]" 1
578 2 15 LEU HB3 2 16 HIS H . . 4.490 3.620 2.859 4.204 . 0 0 "[ . 1 . 2]" 1
579 2 15 LEU HB3 2 57 VAL H . . 4.700 3.491 3.208 3.887 . 0 0 "[ . 1 . 2]" 1
580 2 15 LEU HB3 2 57 VAL HB . . 4.060 2.622 2.346 3.525 . 0 0 "[ . 1 . 2]" 1
581 2 15 LEU HB3 2 57 VAL MG2 . . 4.530 3.843 3.627 4.297 . 0 0 "[ . 1 . 2]" 1
582 2 15 LEU HB3 2 84 VAL MG1 . . 4.230 3.566 2.855 4.037 . 0 0 "[ . 1 . 2]" 1
583 2 15 LEU HG 2 16 HIS H . . 5.360 3.474 2.658 4.036 . 0 0 "[ . 1 . 2]" 1
584 2 15 LEU HG 2 57 VAL HB . . 5.140 4.848 4.625 5.186 0.046 1 0 "[ . 1 . 2]" 1
585 2 15 LEU MD1 2 16 HIS H . . 4.380 3.459 3.147 3.721 . 0 0 "[ . 1 . 2]" 1
586 2 15 LEU MD1 2 59 PHE QD . . 4.620 3.979 3.714 4.235 . 0 0 "[ . 1 . 2]" 1
587 2 15 LEU MD1 2 59 PHE QE . . 5.050 4.727 4.488 4.965 . 0 0 "[ . 1 . 2]" 1
588 2 15 LEU MD1 2 62 SER HA . . 5.560 4.745 4.588 4.959 . 0 0 "[ . 1 . 2]" 1
589 2 15 LEU MD1 2 65 ALA HA . . 3.990 3.884 3.742 4.014 0.024 9 0 "[ . 1 . 2]" 1
590 2 15 LEU MD1 2 69 ARG H . . 4.290 4.371 4.329 4.407 0.117 7 0 "[ . 1 . 2]" 1
591 2 15 LEU MD1 2 69 ARG HA . . 5.020 4.997 4.788 5.102 0.082 8 0 "[ . 1 . 2]" 1
592 2 15 LEU MD1 2 69 ARG HB2 . . 4.880 3.386 2.956 4.690 . 0 0 "[ . 1 . 2]" 1
593 2 15 LEU MD1 2 69 ARG HD2 . . 3.670 2.975 2.190 3.483 . 0 0 "[ . 1 . 2]" 1
594 2 15 LEU MD1 2 85 ASN H . . 4.870 4.375 4.045 4.747 . 0 0 "[ . 1 . 2]" 1
595 2 15 LEU MD1 2 86 ASN H . . 4.890 4.184 3.997 4.490 . 0 0 "[ . 1 . 2]" 1
596 2 15 LEU MD1 2 87 ALA H . . 4.070 3.806 3.595 4.060 . 0 0 "[ . 1 . 2]" 1
597 2 15 LEU MD1 2 87 ALA MB . . 4.430 4.595 4.504 4.664 0.234 18 0 "[ . 1 . 2]" 1
598 2 15 LEU MD2 2 16 HIS H . . 5.480 4.793 4.226 5.143 . 0 0 "[ . 1 . 2]" 1
599 2 15 LEU MD2 2 17 VAL MG1 . . 4.890 4.214 3.831 4.632 . 0 0 "[ . 1 . 2]" 1
600 2 15 LEU MD2 2 33 PHE QD . . 4.580 3.228 2.800 3.711 . 0 0 "[ . 1 . 2]" 1
601 2 15 LEU MD2 2 33 PHE QE . . 4.000 3.376 2.628 4.010 0.010 19 0 "[ . 1 . 2]" 1
602 2 15 LEU MD2 2 57 VAL H . . 5.500 5.091 4.605 5.280 . 0 0 "[ . 1 . 2]" 1
603 2 15 LEU MD2 2 57 VAL HB . . 4.630 3.522 3.086 3.822 . 0 0 "[ . 1 . 2]" 1
604 2 15 LEU MD2 2 57 VAL MG1 . . 4.340 3.574 3.241 4.032 . 0 0 "[ . 1 . 2]" 1
605 2 15 LEU MD2 2 59 PHE H . . 5.500 4.779 4.285 5.061 . 0 0 "[ . 1 . 2]" 1
606 2 15 LEU MD2 2 59 PHE HB3 . . 4.310 4.450 4.403 4.502 0.192 18 0 "[ . 1 . 2]" 1
607 2 15 LEU MD2 2 65 ALA HA . . 4.040 2.557 2.375 2.705 . 0 0 "[ . 1 . 2]" 1
608 2 15 LEU MD2 2 65 ALA MB . . 3.700 2.200 2.129 2.287 . 0 0 "[ . 1 . 2]" 1
609 2 15 LEU MD2 2 66 ASP H . . 4.910 4.494 4.287 4.716 . 0 0 "[ . 1 . 2]" 1
610 2 15 LEU MD2 2 66 ASP HA . . 4.780 4.157 3.639 4.640 . 0 0 "[ . 1 . 2]" 1
611 2 15 LEU MD2 2 68 ALA H . . 5.190 4.151 4.038 4.302 . 0 0 "[ . 1 . 2]" 1
612 2 15 LEU MD2 2 69 ARG H . . 4.290 3.149 2.911 3.554 . 0 0 "[ . 1 . 2]" 1
613 2 15 LEU MD2 2 69 ARG HA . . 4.940 3.986 3.644 4.483 . 0 0 "[ . 1 . 2]" 1
614 2 15 LEU MD2 2 69 ARG HB2 . . 4.730 3.163 2.497 4.706 . 0 0 "[ . 1 . 2]" 1
615 2 15 LEU MD2 2 69 ARG HD2 . . 4.480 4.197 3.655 4.508 0.028 18 0 "[ . 1 . 2]" 1
616 2 16 HIS H 2 16 HIS HB2 . . 3.710 3.027 2.616 3.382 . 0 0 "[ . 1 . 2]" 1
617 2 16 HIS H 2 16 HIS HB3 . . 3.700 2.284 2.161 2.446 . 0 0 "[ . 1 . 2]" 1
618 2 16 HIS H 2 84 VAL MG1 . . 4.760 4.000 3.436 4.450 . 0 0 "[ . 1 . 2]" 1
619 2 16 HIS H 2 86 ASN HA . . 4.250 3.425 3.211 3.694 . 0 0 "[ . 1 . 2]" 1
620 2 16 HIS H 2 87 ALA H . . 4.290 3.709 3.220 4.308 0.018 18 0 "[ . 1 . 2]" 1
621 2 16 HIS H 2 87 ALA MB . . 3.990 3.453 2.903 3.934 . 0 0 "[ . 1 . 2]" 1
622 2 16 HIS HA 2 17 VAL H . . 3.470 2.212 2.173 2.271 . 0 0 "[ . 1 . 2]" 1
623 2 16 HIS HA 2 17 VAL MG2 . . 4.880 4.494 4.414 4.607 . 0 0 "[ . 1 . 2]" 1
624 2 16 HIS HA 2 56 PHE H . . 5.060 4.956 4.837 5.092 0.032 2 0 "[ . 1 . 2]" 1
625 2 16 HIS HA 2 87 ALA MB . . 4.330 3.734 3.441 4.102 . 0 0 "[ . 1 . 2]" 1
626 2 16 HIS HB2 2 54 PHE QE . . 4.540 4.652 4.523 4.739 0.199 10 0 "[ . 1 . 2]" 1
627 2 16 HIS HB2 2 56 PHE HA . . 5.000 4.696 4.344 5.001 0.001 2 0 "[ . 1 . 2]" 1
628 2 16 HIS HB2 2 85 ASN H . . 5.220 4.744 4.307 5.036 . 0 0 "[ . 1 . 2]" 1
629 2 16 HIS HB2 2 87 ALA HA . . 4.300 2.650 2.476 2.870 . 0 0 "[ . 1 . 2]" 1
630 2 16 HIS HB2 2 87 ALA MB . . 4.230 3.063 2.671 3.400 . 0 0 "[ . 1 . 2]" 1
631 2 16 HIS HB2 2 88 THR H . . 5.500 4.345 4.147 4.658 . 0 0 "[ . 1 . 2]" 1
632 2 16 HIS HB3 2 17 VAL H . . 4.820 4.146 4.027 4.271 . 0 0 "[ . 1 . 2]" 1
633 2 16 HIS HB3 2 87 ALA HA . . 4.240 3.383 3.035 3.902 . 0 0 "[ . 1 . 2]" 1
634 2 16 HIS HB3 2 87 ALA MB . . 4.840 3.936 3.643 4.480 . 0 0 "[ . 1 . 2]" 1
635 2 16 HIS HD2 2 17 VAL H . . 5.120 3.427 2.858 3.852 . 0 0 "[ . 1 . 2]" 1
636 2 16 HIS HD2 2 54 PHE QD . . 3.700 2.205 2.126 2.364 . 0 0 "[ . 1 . 2]" 1
637 2 16 HIS HD2 2 54 PHE QE . . 4.800 2.467 2.086 2.714 . 0 0 "[ . 1 . 2]" 1
638 2 16 HIS HD2 2 56 PHE QD . . 4.500 3.837 3.254 4.209 . 0 0 "[ . 1 . 2]" 1
639 2 16 HIS HE1 2 18 SER H . . 5.200 4.351 4.022 4.682 . 0 0 "[ . 1 . 2]" 1
640 2 16 HIS HE1 2 18 SER HB2 . . 4.800 2.087 2.038 2.218 . 0 0 "[ . 1 . 2]" 1
641 2 16 HIS HE1 2 18 SER HB3 . . 4.900 3.506 3.195 3.683 . 0 0 "[ . 1 . 2]" 1
642 2 17 VAL H 2 17 VAL HB . . 4.370 4.001 3.969 4.037 . 0 0 "[ . 1 . 2]" 1
643 2 17 VAL H 2 17 VAL MG1 . . 4.180 2.793 2.715 2.843 . 0 0 "[ . 1 . 2]" 1
644 2 17 VAL H 2 17 VAL MG2 . . 3.960 2.843 2.773 2.953 . 0 0 "[ . 1 . 2]" 1
645 2 17 VAL H 2 18 SER H . . 4.570 4.340 4.150 4.400 . 0 0 "[ . 1 . 2]" 1
646 2 17 VAL H 2 55 GLY H . . 4.050 2.839 2.693 3.008 . 0 0 "[ . 1 . 2]" 1
647 2 17 VAL H 2 56 PHE HA . . 4.370 3.377 3.097 3.652 . 0 0 "[ . 1 . 2]" 1
648 2 17 VAL H 2 57 VAL MG2 . . 5.100 5.094 4.884 5.141 0.041 11 0 "[ . 1 . 2]" 1
649 2 17 VAL H 2 85 ASN H . . 5.550 4.854 4.751 4.989 . 0 0 "[ . 1 . 2]" 1
650 2 17 VAL HA 2 17 VAL MG1 . . 3.580 2.613 2.527 2.667 . 0 0 "[ . 1 . 2]" 1
651 2 17 VAL HA 2 18 SER H . . 3.250 2.220 2.013 2.291 . 0 0 "[ . 1 . 2]" 1
652 2 17 VAL HA 2 18 SER HB3 . . 5.370 4.788 4.473 5.382 0.012 3 0 "[ . 1 . 2]" 1
653 2 17 VAL HA 2 20 ILE MG . . 4.860 4.850 4.627 4.914 0.054 19 0 "[ . 1 . 2]" 1
654 2 17 VAL HA 2 84 VAL MG2 . . 4.400 3.265 3.136 3.579 . 0 0 "[ . 1 . 2]" 1
655 2 17 VAL HA 2 85 ASN H . . 5.060 3.639 3.535 3.786 . 0 0 "[ . 1 . 2]" 1
656 2 17 VAL HB 2 18 SER H . . 4.410 2.787 2.659 3.241 . 0 0 "[ . 1 . 2]" 1
657 2 17 VAL HB 2 33 PHE HZ . . 4.510 3.184 2.491 3.933 . 0 0 "[ . 1 . 2]" 1
658 2 17 VAL HB 2 33 PHE QE . . 4.950 3.934 3.391 4.318 . 0 0 "[ . 1 . 2]" 1
659 2 17 VAL HB 2 55 GLY H . . 4.750 4.814 4.769 4.880 0.130 1 0 "[ . 1 . 2]" 1
660 2 17 VAL HB 2 57 VAL MG2 . . 5.500 5.310 4.895 5.547 0.047 17 0 "[ . 1 . 2]" 1
661 2 17 VAL HB 2 84 VAL MG2 . . 4.430 2.855 2.730 3.278 . 0 0 "[ . 1 . 2]" 1
662 2 17 VAL MG1 2 18 SER H . . 4.000 4.066 4.023 4.147 0.147 1 0 "[ . 1 . 2]" 1
663 2 17 VAL MG1 2 33 PHE HZ . . 3.910 2.226 1.996 2.645 . 0 0 "[ . 1 . 2]" 1
664 2 17 VAL MG1 2 33 PHE QE . . 3.890 2.426 2.201 2.742 . 0 0 "[ . 1 . 2]" 1
665 2 17 VAL MG1 2 56 PHE HA . . 5.000 3.335 2.822 3.740 . 0 0 "[ . 1 . 2]" 1
666 2 17 VAL MG1 2 57 VAL H . . 5.500 4.187 3.561 4.638 . 0 0 "[ . 1 . 2]" 1
667 2 17 VAL MG1 2 57 VAL MG2 . . 3.980 2.785 2.604 2.951 . 0 0 "[ . 1 . 2]" 1
668 2 17 VAL MG1 2 84 VAL H . . 5.500 5.528 5.334 5.578 0.078 5 0 "[ . 1 . 2]" 1
669 2 17 VAL MG1 2 84 VAL HA . . 4.650 3.135 2.971 3.218 . 0 0 "[ . 1 . 2]" 1
670 2 17 VAL MG1 2 84 VAL MG2 . . 3.880 2.656 2.355 2.892 . 0 0 "[ . 1 . 2]" 1
671 2 17 VAL MG1 2 85 ASN H . . 4.940 3.907 3.626 4.043 . 0 0 "[ . 1 . 2]" 1
672 2 17 VAL MG2 2 18 SER H . . 4.230 3.204 3.039 3.722 . 0 0 "[ . 1 . 2]" 1
673 2 17 VAL MG2 2 32 MET ME . . 5.020 3.865 3.504 5.025 0.005 3 0 "[ . 1 . 2]" 1
674 2 17 VAL MG2 2 33 PHE HZ . . 4.080 3.742 3.038 4.126 0.046 18 0 "[ . 1 . 2]" 1
675 2 17 VAL MG2 2 33 PHE QD . . 5.540 4.844 3.864 5.242 . 0 0 "[ . 1 . 2]" 1
676 2 17 VAL MG2 2 33 PHE QE . . 3.790 3.149 2.391 3.583 . 0 0 "[ . 1 . 2]" 1
677 2 17 VAL MG2 2 55 GLY H . . 5.180 2.385 2.265 2.548 . 0 0 "[ . 1 . 2]" 1
678 2 17 VAL MG2 2 55 GLY HA2 . . 5.040 3.968 3.774 4.219 . 0 0 "[ . 1 . 2]" 1
679 2 17 VAL MG2 2 55 GLY HA3 . . 5.070 2.704 2.432 3.073 . 0 0 "[ . 1 . 2]" 1
680 2 17 VAL MG2 2 56 PHE HA . . 5.090 4.191 3.672 4.621 . 0 0 "[ . 1 . 2]" 1
681 2 17 VAL MG2 2 57 VAL MG2 . . 4.800 3.834 3.305 4.107 . 0 0 "[ . 1 . 2]" 1
682 2 17 VAL MG2 2 82 ILE HA . . 5.500 5.615 5.587 5.647 0.147 8 0 "[ . 1 . 2]" 1
683 2 17 VAL MG2 2 83 GLU H . . 5.640 4.959 4.828 5.270 . 0 0 "[ . 1 . 2]" 1
684 2 18 SER H 2 18 SER HB2 . . 4.240 2.946 2.446 3.233 . 0 0 "[ . 1 . 2]" 1
685 2 18 SER H 2 18 SER HB3 . . 4.250 3.011 2.734 3.509 . 0 0 "[ . 1 . 2]" 1
686 2 18 SER H 2 19 ASN H . . 5.580 4.450 4.310 4.562 . 0 0 "[ . 1 . 2]" 1
687 2 18 SER H 2 20 ILE MG . . 4.980 3.976 3.469 4.398 . 0 0 "[ . 1 . 2]" 1
688 2 18 SER H 2 82 ILE HA . . 4.900 4.346 4.118 4.500 . 0 0 "[ . 1 . 2]" 1
689 2 18 SER H 2 82 ILE HB . . 4.710 3.418 3.205 3.779 . 0 0 "[ . 1 . 2]" 1
690 2 18 SER H 2 83 GLU H . . 3.950 2.615 2.457 2.847 . 0 0 "[ . 1 . 2]" 1
691 2 18 SER H 2 83 GLU HB2 . . 5.410 3.005 2.735 3.276 . 0 0 "[ . 1 . 2]" 1
692 2 18 SER H 2 83 GLU HB3 . . 4.880 4.535 4.340 4.749 . 0 0 "[ . 1 . 2]" 1
693 2 18 SER H 2 83 GLU HG3 . . 4.940 4.114 3.743 4.400 . 0 0 "[ . 1 . 2]" 1
694 2 18 SER H 2 84 VAL HA . . 4.830 3.871 3.618 4.047 . 0 0 "[ . 1 . 2]" 1
695 2 18 SER H 2 84 VAL MG2 . . 4.900 3.975 3.837 4.241 . 0 0 "[ . 1 . 2]" 1
696 2 18 SER HA 2 54 PHE HA . . 4.090 2.477 2.279 2.802 . 0 0 "[ . 1 . 2]" 1
697 2 18 SER HA 2 54 PHE HB2 . . 4.730 2.281 2.136 2.502 . 0 0 "[ . 1 . 2]" 1
698 2 18 SER HA 2 54 PHE HB3 . . 4.720 2.966 2.304 3.522 . 0 0 "[ . 1 . 2]" 1
699 2 18 SER HA 2 55 GLY H . . 4.750 3.757 3.565 3.883 . 0 0 "[ . 1 . 2]" 1
700 2 18 SER HB2 2 83 GLU HB2 . . 4.650 2.654 2.117 3.099 . 0 0 "[ . 1 . 2]" 1
701 2 18 SER HB2 2 83 GLU HB3 . . 4.570 4.286 3.729 4.644 0.074 16 0 "[ . 1 . 2]" 1
702 2 18 SER HB2 2 83 GLU HG3 . . 5.500 3.425 2.748 3.836 . 0 0 "[ . 1 . 2]" 1
703 2 18 SER HB3 2 83 GLU HA . . 5.420 4.792 4.321 5.500 0.080 10 0 "[ . 1 . 2]" 1
704 2 18 SER HB3 2 83 GLU HB2 . . 4.520 2.443 2.063 3.218 . 0 0 "[ . 1 . 2]" 1
705 2 18 SER HB3 2 83 GLU HG3 . . 4.920 2.116 2.028 2.325 . 0 0 "[ . 1 . 2]" 1
706 2 19 ASN H 2 20 ILE H . . 4.070 2.895 2.287 3.212 . 0 0 "[ . 1 . 2]" 1
707 2 19 ASN H 2 20 ILE MD . . 5.500 4.334 3.520 4.612 . 0 0 "[ . 1 . 2]" 1
708 2 19 ASN H 2 20 ILE MG . . 5.540 4.660 3.409 5.027 . 0 0 "[ . 1 . 2]" 1
709 2 19 ASN H 2 82 ILE HB . . 5.500 5.461 4.437 5.569 0.069 1 0 "[ . 1 . 2]" 1
710 2 19 ASN H 2 82 ILE MG . . 5.360 4.887 4.146 5.340 . 0 0 "[ . 1 . 2]" 1
711 2 19 ASN HA 2 19 ASN HD22 . . 4.720 4.523 4.447 4.579 . 0 0 "[ . 1 . 2]" 1
712 2 19 ASN HA 2 19 ASN HD21 . . 4.730 4.394 4.287 4.443 . 0 0 "[ . 1 . 2]" 1
713 2 19 ASN HB2 2 19 ASN HD22 . . 4.040 3.779 3.648 3.940 . 0 0 "[ . 1 . 2]" 1
714 2 19 ASN HB2 2 82 ILE HA . . 3.620 3.308 2.985 3.642 0.022 11 0 "[ . 1 . 2]" 1
715 2 19 ASN HB3 2 19 ASN HD22 . . 4.240 3.585 3.535 3.628 . 0 0 "[ . 1 . 2]" 1
716 2 19 ASN HB3 2 20 ILE H . . 5.570 3.982 3.717 4.126 . 0 0 "[ . 1 . 2]" 1
717 2 19 ASN HB3 2 82 ILE HA . . 3.540 2.154 2.017 2.345 . 0 0 "[ . 1 . 2]" 1
718 2 19 ASN HB3 2 82 ILE MD . . 5.380 5.468 5.328 5.522 0.142 1 0 "[ . 1 . 2]" 1
719 2 19 ASN HB3 2 82 ILE MG . . 4.970 2.707 2.385 3.331 . 0 0 "[ . 1 . 2]" 1
720 2 19 ASN HB3 2 83 GLU H . . 3.720 3.631 3.287 3.751 0.031 15 0 "[ . 1 . 2]" 1
721 2 19 ASN HD22 2 80 ARG HA . . 5.520 3.741 3.025 5.051 . 0 0 "[ . 1 . 2]" 1
722 2 19 ASN HD22 2 80 ARG HE . . 5.470 4.237 2.691 5.593 0.123 18 0 "[ . 1 . 2]" 1
723 2 19 ASN HD22 2 81 LYS H . . 4.860 3.597 3.197 4.384 . 0 0 "[ . 1 . 2]" 1
724 2 19 ASN HD22 2 82 ILE HA . . 5.300 5.237 5.112 5.300 . 0 0 "[ . 1 . 2]" 1
725 2 19 ASN HD22 2 82 ILE MG . . 5.540 5.070 4.581 5.449 . 0 0 "[ . 1 . 2]" 1
726 2 19 ASN HD21 2 80 ARG HA . . 5.190 4.144 3.483 5.038 . 0 0 "[ . 1 . 2]" 1
727 2 19 ASN HD21 2 81 LYS H . . 4.850 3.253 2.961 3.805 . 0 0 "[ . 1 . 2]" 1
728 2 19 ASN HD21 2 82 ILE HA . . 5.920 3.588 3.457 3.707 . 0 0 "[ . 1 . 2]" 1
729 2 20 ILE H 2 20 ILE HB . . 4.340 3.600 3.568 3.639 . 0 0 "[ . 1 . 2]" 1
730 2 20 ILE H 2 20 ILE HG12 . . 4.010 3.576 3.474 4.029 0.019 6 0 "[ . 1 . 2]" 1
731 2 20 ILE H 2 20 ILE HG13 . . 3.940 2.245 1.903 3.998 0.058 6 0 "[ . 1 . 2]" 1
732 2 20 ILE H 2 20 ILE MD . . 3.770 2.741 2.352 3.001 . 0 0 "[ . 1 . 2]" 1
733 2 20 ILE H 2 20 ILE MG . . 3.860 2.494 1.938 2.720 . 0 0 "[ . 1 . 2]" 1
734 2 20 ILE H 2 53 GLY HA2 . . 5.570 4.570 4.179 5.035 . 0 0 "[ . 1 . 2]" 1
735 2 20 ILE H 2 53 GLY HA3 . . 5.460 4.973 4.637 5.420 . 0 0 "[ . 1 . 2]" 1
736 2 20 ILE H 2 54 PHE HA . . 5.250 3.430 3.203 3.596 . 0 0 "[ . 1 . 2]" 1
737 2 20 ILE HA 2 20 ILE MG . . 3.580 2.261 2.178 2.605 . 0 0 "[ . 1 . 2]" 1
738 2 20 ILE HA 2 21 PRO HD2 . . 3.470 2.910 2.707 3.168 . 0 0 "[ . 1 . 2]" 1
739 2 20 ILE HA 2 21 PRO HD3 . . 3.530 2.191 2.118 2.299 . 0 0 "[ . 1 . 2]" 1
740 2 20 ILE HA 2 77 VAL MG2 . . 4.930 4.185 2.793 4.946 0.016 12 0 "[ . 1 . 2]" 1
741 2 20 ILE HA 2 82 ILE MD . . 5.030 4.637 4.281 5.039 0.009 10 0 "[ . 1 . 2]" 1
742 2 20 ILE HA 2 82 ILE MG . . 4.620 2.590 2.115 2.797 . 0 0 "[ . 1 . 2]" 1
743 2 20 ILE HB 2 21 PRO HD2 . . 3.700 2.391 2.162 2.553 . 0 0 "[ . 1 . 2]" 1
744 2 20 ILE HB 2 21 PRO HD3 . . 4.020 3.298 2.835 3.639 . 0 0 "[ . 1 . 2]" 1
745 2 20 ILE HB 2 24 PHE QD . . 4.500 3.210 2.682 3.701 . 0 0 "[ . 1 . 2]" 1
746 2 20 ILE MD 2 24 PHE H . . 5.490 4.186 3.735 4.740 . 0 0 "[ . 1 . 2]" 1
747 2 20 ILE MD 2 24 PHE HB2 . . 4.070 3.134 2.756 3.710 . 0 0 "[ . 1 . 2]" 1
748 2 20 ILE MD 2 24 PHE HB3 . . 4.210 3.849 3.345 4.252 0.042 1 0 "[ . 1 . 2]" 1
749 2 20 ILE MD 2 24 PHE QD . . 4.880 4.122 4.002 4.379 . 0 0 "[ . 1 . 2]" 1
750 2 20 ILE MD 2 24 PHE QE . . 5.500 5.529 5.502 5.555 0.055 2 0 "[ . 1 . 2]" 1
751 2 20 ILE MD 2 44 ILE HA . . 5.690 4.980 4.535 5.395 . 0 0 "[ . 1 . 2]" 1
752 2 20 ILE MD 2 44 ILE MG . . 3.980 3.211 2.802 3.551 . 0 0 "[ . 1 . 2]" 1
753 2 20 ILE MD 2 52 LYS H . . 5.500 4.831 4.377 5.052 . 0 0 "[ . 1 . 2]" 1
754 2 20 ILE MD 2 53 GLY H . . 5.070 3.435 3.078 3.850 . 0 0 "[ . 1 . 2]" 1
755 2 20 ILE MD 2 54 PHE HA . . 4.750 2.671 2.176 2.998 . 0 0 "[ . 1 . 2]" 1
756 2 20 ILE MD 2 55 GLY H . . 4.750 3.927 3.547 4.341 . 0 0 "[ . 1 . 2]" 1
757 2 20 ILE MG 2 21 PRO HD2 . . 4.390 3.300 2.971 3.982 . 0 0 "[ . 1 . 2]" 1
758 2 20 ILE MG 2 21 PRO HD3 . . 4.950 3.453 2.947 4.259 . 0 0 "[ . 1 . 2]" 1
759 2 20 ILE MG 2 24 PHE QD . . 4.690 3.330 2.810 3.862 . 0 0 "[ . 1 . 2]" 1
760 2 20 ILE MG 2 24 PHE QE . . 4.990 3.443 2.810 3.944 . 0 0 "[ . 1 . 2]" 1
761 2 20 ILE MG 2 32 MET ME . . 4.580 2.993 2.388 3.697 . 0 0 "[ . 1 . 2]" 1
762 2 20 ILE MG 2 54 PHE HA . . 5.060 4.089 2.941 4.409 . 0 0 "[ . 1 . 2]" 1
763 2 20 ILE MG 2 82 ILE HA . . 4.940 4.318 3.974 4.594 . 0 0 "[ . 1 . 2]" 1
764 2 20 ILE MG 2 82 ILE HB . . 4.370 2.909 2.358 3.340 . 0 0 "[ . 1 . 2]" 1
765 2 20 ILE MG 2 83 GLU H . . 5.180 4.596 4.259 5.104 . 0 0 "[ . 1 . 2]" 1
766 2 21 PRO HA 2 22 PHE H . . 3.160 2.201 2.119 3.229 0.069 19 0 "[ . 1 . 2]" 1
767 2 21 PRO HA 2 22 PHE HB3 . . 5.480 5.599 5.398 5.666 0.186 16 0 "[ . 1 . 2]" 1
768 2 21 PRO HB2 2 22 PHE H . . 5.250 3.838 3.715 3.965 . 0 0 "[ . 1 . 2]" 1
769 2 21 PRO HB2 2 24 PHE H . . 5.000 2.495 2.299 2.941 . 0 0 "[ . 1 . 2]" 1
770 2 21 PRO HB2 2 24 PHE QD . . 4.500 2.574 2.205 2.999 . 0 0 "[ . 1 . 2]" 1
771 2 21 PRO HB2 2 24 PHE QE . . 6.000 4.197 3.753 4.501 . 0 0 "[ . 1 . 2]" 1
772 2 21 PRO HB3 2 22 PHE H . . 5.120 3.250 3.054 4.574 . 0 0 "[ . 1 . 2]" 1
773 2 21 PRO HB3 2 23 ARG H . . 4.870 2.756 2.625 3.367 . 0 0 "[ . 1 . 2]" 1
774 2 21 PRO HB3 2 24 PHE H . . 5.000 3.874 3.586 4.496 . 0 0 "[ . 1 . 2]" 1
775 2 21 PRO HB3 2 24 PHE QD . . 4.500 3.929 3.797 4.333 . 0 0 "[ . 1 . 2]" 1
776 2 21 PRO HD2 2 24 PHE QE . . 5.350 3.441 2.481 3.727 . 0 0 "[ . 1 . 2]" 1
777 2 21 PRO HD2 2 77 VAL MG2 . . 4.810 3.522 2.428 4.280 . 0 0 "[ . 1 . 2]" 1
778 2 21 PRO HD2 2 82 ILE MG . . 4.780 4.480 3.552 4.784 0.004 16 0 "[ . 1 . 2]" 1
779 2 21 PRO HD3 2 24 PHE QD . . 5.000 4.426 4.024 4.719 . 0 0 "[ . 1 . 2]" 1
780 2 21 PRO HD3 2 24 PHE QE . . 5.100 4.305 3.662 4.610 . 0 0 "[ . 1 . 2]" 1
781 2 21 PRO HD3 2 77 VAL MG2 . . 4.930 3.192 2.049 3.923 . 0 0 "[ . 1 . 2]" 1
782 2 21 PRO HD3 2 82 ILE MG . . 4.510 3.703 2.959 3.990 . 0 0 "[ . 1 . 2]" 1
783 2 21 PRO HG2 2 24 PHE QE . . 4.830 2.840 2.458 3.054 . 0 0 "[ . 1 . 2]" 1
784 2 21 PRO HG2 2 77 VAL MG2 . . 3.770 3.360 2.655 3.794 0.024 5 0 "[ . 1 . 2]" 1
785 2 21 PRO HG2 2 78 GLU HB3 . . 4.980 4.556 3.918 5.015 0.035 16 0 "[ . 1 . 2]" 1
786 2 21 PRO HG2 2 78 GLU HG3 . . 5.140 3.243 2.767 3.878 . 0 0 "[ . 1 . 2]" 1
787 2 21 PRO HG3 2 23 ARG H . . 4.800 4.957 4.887 5.132 0.332 19 0 "[ . 1 . 2]" 1
788 2 22 PHE H 2 22 PHE HB2 . . 3.900 2.274 2.051 3.087 . 0 0 "[ . 1 . 2]" 1
789 2 22 PHE H 2 22 PHE HB3 . . 3.730 3.517 3.370 3.980 0.250 19 0 "[ . 1 . 2]" 1
790 2 22 PHE H 2 22 PHE QD . . 4.580 2.977 2.762 3.242 . 0 0 "[ . 1 . 2]" 1
791 2 22 PHE H 2 23 ARG H . . 4.440 2.808 2.680 3.212 . 0 0 "[ . 1 . 2]" 1
792 2 22 PHE H 2 23 ARG HG2 . . 5.200 4.485 4.013 5.240 0.040 19 0 "[ . 1 . 2]" 1
793 2 22 PHE HA 2 22 PHE QD . . 3.000 2.111 1.981 2.293 . 0 0 "[ . 1 . 2]" 1
794 2 22 PHE HB2 2 23 ARG H . . 5.260 3.356 3.138 3.798 . 0 0 "[ . 1 . 2]" 1
795 2 22 PHE HB2 2 51 SER HB2 . . 5.680 5.467 4.673 5.792 0.112 4 0 "[ . 1 . 2]" 1
796 2 22 PHE HB3 2 23 ARG H . . 5.210 3.855 3.538 4.201 . 0 0 "[ . 1 . 2]" 1
797 2 20 ILE MD 2 22 PHE QD . . 5.000 3.903 3.469 4.413 . 0 0 "[ . 1 . 2]" 1
798 2 22 PHE QD 2 51 SER HB2 . . 4.000 3.704 2.575 4.159 0.159 16 0 "[ . 1 . 2]" 1
799 2 22 PHE QD 2 51 SER HB3 . . 4.000 3.006 2.417 4.155 0.155 19 0 "[ . 1 . 2]" 1
800 2 22 PHE QD 2 53 GLY H . . 4.000 3.609 2.928 4.052 0.052 14 0 "[ . 1 . 2]" 1
801 2 22 PHE QD 2 53 GLY HA2 . . 4.650 2.725 2.129 3.138 . 0 0 "[ . 1 . 2]" 1
802 2 22 PHE QD 2 53 GLY HA3 . . 5.220 4.019 3.148 4.723 . 0 0 "[ . 1 . 2]" 1
803 2 22 PHE QE 2 52 LYS HA . . 5.000 4.290 3.927 4.871 . 0 0 "[ . 1 . 2]" 1
804 2 22 PHE QE 2 53 GLY H . . 4.960 3.657 2.708 4.581 . 0 0 "[ . 1 . 2]" 1
805 2 22 PHE QE 2 53 GLY HA2 . . 5.460 2.850 2.280 4.122 . 0 0 "[ . 1 . 2]" 1
806 2 22 PHE QE 2 53 GLY HA3 . . 5.010 2.976 2.437 3.781 . 0 0 "[ . 1 . 2]" 1
807 2 23 ARG H 2 23 ARG HB2 . . 3.470 2.542 2.391 2.643 . 0 0 "[ . 1 . 2]" 1
808 2 23 ARG H 2 23 ARG HB3 . . 3.830 3.713 3.620 3.782 . 0 0 "[ . 1 . 2]" 1
809 2 23 ARG H 2 23 ARG HD2 . . 4.750 4.475 3.530 4.893 0.143 13 0 "[ . 1 . 2]" 1
810 2 23 ARG H 2 23 ARG HG2 . . 4.530 2.919 2.515 3.426 . 0 0 "[ . 1 . 2]" 1
811 2 23 ARG H 2 23 ARG HG3 . . 4.780 4.151 3.903 4.382 . 0 0 "[ . 1 . 2]" 1
812 2 23 ARG H 2 24 PHE H . . 4.910 2.404 2.289 2.519 . 0 0 "[ . 1 . 2]" 1
813 2 23 ARG HA 2 23 ARG HD2 . . 4.790 2.463 2.087 3.038 . 0 0 "[ . 1 . 2]" 1
814 2 23 ARG HA 2 23 ARG HD3 . . 4.920 2.956 2.077 3.907 . 0 0 "[ . 1 . 2]" 1
815 2 23 ARG HB2 2 24 PHE H . . 4.500 3.789 3.477 4.054 . 0 0 "[ . 1 . 2]" 1
816 2 23 ARG HB3 2 24 PHE H . . 4.730 4.370 4.246 4.458 . 0 0 "[ . 1 . 2]" 1
817 2 24 PHE H 2 24 PHE HB2 . . 3.250 2.116 2.026 2.265 . 0 0 "[ . 1 . 2]" 1
818 2 24 PHE H 2 24 PHE HB3 . . 3.870 3.347 3.168 3.529 . 0 0 "[ . 1 . 2]" 1
819 2 24 PHE H 2 24 PHE QD . . 4.260 3.246 2.841 3.386 . 0 0 "[ . 1 . 2]" 1
820 2 24 PHE H 2 24 PHE QE . . 5.470 5.421 5.129 5.553 0.083 5 0 "[ . 1 . 2]" 1
821 2 24 PHE H 2 25 ARG H . . 5.190 4.656 4.606 4.705 . 0 0 "[ . 1 . 2]" 1
822 2 24 PHE HA 2 24 PHE QD . . 4.170 2.385 2.176 3.066 . 0 0 "[ . 1 . 2]" 1
823 2 24 PHE HA 2 24 PHE QE . . 5.530 4.328 4.223 4.557 . 0 0 "[ . 1 . 2]" 1
824 2 24 PHE HA 2 25 ARG H . . 4.120 2.273 2.192 2.345 . 0 0 "[ . 1 . 2]" 1
825 2 24 PHE HA 2 28 ASP H . . 5.210 5.092 4.673 5.299 0.089 8 0 "[ . 1 . 2]" 1
826 2 24 PHE HA 2 44 ILE MD . . 5.500 4.581 4.240 4.841 . 0 0 "[ . 1 . 2]" 1
827 2 24 PHE HB2 2 25 ARG H . . 4.690 4.215 4.002 4.393 . 0 0 "[ . 1 . 2]" 1
828 2 24 PHE HB2 2 44 ILE MD . . 4.890 4.002 3.495 4.303 . 0 0 "[ . 1 . 2]" 1
829 2 24 PHE HB3 2 25 ARG H . . 4.510 3.026 2.662 3.306 . 0 0 "[ . 1 . 2]" 1
830 2 24 PHE HB3 2 44 ILE MD . . 4.640 3.062 2.459 3.479 . 0 0 "[ . 1 . 2]" 1
831 2 21 PRO HD2 2 24 PHE QD . . 5.000 3.052 2.368 3.343 . 0 0 "[ . 1 . 2]" 1
832 2 24 PHE QD 2 25 ARG H . . 4.330 3.844 3.513 4.106 . 0 0 "[ . 1 . 2]" 1
833 2 24 PHE QD 2 28 ASP H . . 5.500 5.427 4.584 5.608 0.108 1 0 "[ . 1 . 2]" 1
834 2 24 PHE QD 2 28 ASP HB2 . . 5.090 3.606 2.552 4.586 . 0 0 "[ . 1 . 2]" 1
835 2 24 PHE QD 2 28 ASP HB3 . . 5.270 3.345 2.967 3.644 . 0 0 "[ . 1 . 2]" 1
836 2 24 PHE QD 2 29 LEU MD1 . . 4.960 3.864 3.623 4.252 . 0 0 "[ . 1 . 2]" 1
837 2 24 PHE QD 2 29 LEU MD2 . . 4.020 2.322 2.144 3.069 . 0 0 "[ . 1 . 2]" 1
838 2 24 PHE QD 2 32 MET ME . . 4.920 4.172 3.727 4.730 . 0 0 "[ . 1 . 2]" 1
839 2 24 PHE QE 2 29 LEU MD2 . . 4.220 2.624 2.245 3.124 . 0 0 "[ . 1 . 2]" 1
840 2 24 PHE QE 2 32 MET ME . . 3.950 2.608 2.275 3.067 . 0 0 "[ . 1 . 2]" 1
841 2 24 PHE QE 2 78 GLU HG3 . . 4.750 3.183 2.522 4.088 . 0 0 "[ . 1 . 2]" 1
842 2 25 ARG H 2 25 ARG HB2 . . 3.580 2.735 2.609 2.901 . 0 0 "[ . 1 . 2]" 1
843 2 25 ARG H 2 25 ARG HD2 . . 5.500 4.892 3.482 5.510 0.010 20 0 "[ . 1 . 2]" 1
844 2 25 ARG H 2 25 ARG HG3 . . 4.980 3.789 2.899 4.575 . 0 0 "[ . 1 . 2]" 1
845 2 25 ARG H 2 26 ASP H . . 4.560 4.489 4.423 4.550 . 0 0 "[ . 1 . 2]" 1
846 2 25 ARG H 2 28 ASP H . . 4.460 3.086 2.899 3.225 . 0 0 "[ . 1 . 2]" 1
847 2 25 ARG H 2 28 ASP HA . . 4.310 4.495 4.417 4.539 0.229 5 0 "[ . 1 . 2]" 1
848 2 25 ARG H 2 28 ASP HB2 . . 4.480 1.889 1.733 2.101 . 0 0 "[ . 1 . 2]" 1
849 2 25 ARG H 2 28 ASP HB3 . . 4.270 3.058 1.861 3.547 . 0 0 "[ . 1 . 2]" 1
850 2 25 ARG H 2 29 LEU H . . 4.710 3.819 3.546 4.050 . 0 0 "[ . 1 . 2]" 1
851 2 25 ARG H 2 44 ILE MD . . 4.960 3.632 3.232 3.925 . 0 0 "[ . 1 . 2]" 1
852 2 25 ARG HA 2 29 LEU H . . 4.930 5.023 4.967 5.074 0.144 12 0 "[ . 1 . 2]" 1
853 2 25 ARG HA 2 44 ILE MD . . 4.200 2.024 1.932 2.295 . 0 0 "[ . 1 . 2]" 1
854 2 25 ARG HB2 2 25 ARG HE . . 4.660 3.800 2.144 4.868 0.208 5 0 "[ . 1 . 2]" 1
855 2 25 ARG HB2 2 26 ASP H . . 4.290 3.547 3.423 3.709 . 0 0 "[ . 1 . 2]" 1
856 2 25 ARG HB2 2 27 PRO HD3 . . 4.310 4.100 3.760 4.344 0.034 19 0 "[ . 1 . 2]" 1
857 2 25 ARG HB2 2 28 ASP H . . 4.100 3.018 2.500 3.626 . 0 0 "[ . 1 . 2]" 1
858 2 25 ARG HB3 2 26 ASP H . . 3.420 2.366 2.187 2.600 . 0 0 "[ . 1 . 2]" 1
859 2 25 ARG HB3 2 27 PRO HD2 . . 4.050 2.211 1.991 2.536 . 0 0 "[ . 1 . 2]" 1
860 2 25 ARG HB3 2 27 PRO HD3 . . 3.930 3.547 2.933 3.945 0.015 11 0 "[ . 1 . 2]" 1
861 2 25 ARG HD2 2 44 ILE MD . . 5.500 4.964 2.874 5.677 0.177 16 0 "[ . 1 . 2]" 1
862 2 26 ASP H 2 26 ASP HB3 . . 3.230 3.350 2.265 3.493 0.263 18 0 "[ . 1 . 2]" 1
863 2 26 ASP H 2 27 PRO HD2 . . 4.500 2.626 2.401 2.876 . 0 0 "[ . 1 . 2]" 1
864 2 26 ASP H 2 27 PRO HD3 . . 4.620 3.290 2.751 3.703 . 0 0 "[ . 1 . 2]" 1
865 2 26 ASP H 2 27 PRO HG2 . . 4.880 4.817 4.598 4.925 0.045 9 0 "[ . 1 . 2]" 1
866 2 26 ASP H 2 28 ASP H . . 5.340 4.267 4.178 4.361 . 0 0 "[ . 1 . 2]" 1
867 2 26 ASP H 2 29 LEU H . . 5.350 4.803 4.735 4.882 . 0 0 "[ . 1 . 2]" 1
868 2 26 ASP H 2 44 ILE MD . . 4.530 2.648 2.483 2.797 . 0 0 "[ . 1 . 2]" 1
869 2 26 ASP HA 2 29 LEU H . . 4.810 3.463 3.307 3.687 . 0 0 "[ . 1 . 2]" 1
870 2 26 ASP HA 2 29 LEU HB3 . . 4.260 4.262 3.972 4.330 0.070 19 0 "[ . 1 . 2]" 1
871 2 26 ASP HA 2 42 VAL HB . . 4.540 3.448 3.118 3.657 . 0 0 "[ . 1 . 2]" 1
872 2 26 ASP HA 2 42 VAL MG1 . . 3.770 2.261 2.120 3.201 . 0 0 "[ . 1 . 2]" 1
873 2 26 ASP HA 2 44 ILE MD . . 4.040 3.019 2.851 3.272 . 0 0 "[ . 1 . 2]" 1
874 2 26 ASP HB2 2 27 PRO HD2 . . 3.560 3.144 2.729 3.742 0.182 13 0 "[ . 1 . 2]" 1
875 2 26 ASP HB2 2 27 PRO HD3 . . 4.530 2.347 2.024 3.853 . 0 0 "[ . 1 . 2]" 1
876 2 26 ASP HB3 2 27 PRO HD2 . . 4.660 4.187 2.316 4.729 0.069 6 0 "[ . 1 . 2]" 1
877 2 26 ASP HB3 2 27 PRO HD3 . . 3.550 3.417 2.176 3.620 0.070 19 0 "[ . 1 . 2]" 1
878 2 26 ASP HB3 2 42 VAL MG1 . . 4.570 3.161 2.728 4.510 . 0 0 "[ . 1 . 2]" 1
879 2 27 PRO HA 2 30 ARG H . . 3.950 3.502 3.084 3.701 . 0 0 "[ . 1 . 2]" 1
880 2 27 PRO HA 2 30 ARG HD2 . . 4.320 3.505 2.627 4.343 0.023 4 0 "[ . 1 . 2]" 1
881 2 27 PRO HA 2 30 ARG HD3 . . 4.380 3.201 2.311 4.258 . 0 0 "[ . 1 . 2]" 1
882 2 27 PRO HA 2 30 ARG HG2 . . 3.940 2.096 2.023 2.171 . 0 0 "[ . 1 . 2]" 1
883 2 27 PRO HA 2 30 ARG HG3 . . 4.010 3.393 2.880 3.745 . 0 0 "[ . 1 . 2]" 1
884 2 27 PRO HA 2 31 GLN H . . 4.830 3.921 3.596 4.285 . 0 0 "[ . 1 . 2]" 1
885 2 27 PRO HB2 2 28 ASP H . . 4.390 3.322 2.690 3.719 . 0 0 "[ . 1 . 2]" 1
886 2 27 PRO HB3 2 30 ARG HG2 . . 4.610 4.196 3.847 4.381 . 0 0 "[ . 1 . 2]" 1
887 2 27 PRO HD2 2 28 ASP H . . 4.550 2.823 2.569 3.162 . 0 0 "[ . 1 . 2]" 1
888 2 27 PRO HD2 2 44 ILE MD . . 4.520 4.531 4.401 4.624 0.104 12 0 "[ . 1 . 2]" 1
889 2 27 PRO HD3 2 28 ASP H . . 3.930 4.000 3.940 4.081 0.151 13 0 "[ . 1 . 2]" 1
890 2 27 PRO HD3 2 29 LEU H . . 5.370 5.469 5.416 5.511 0.141 14 0 "[ . 1 . 2]" 1
891 2 27 PRO HD3 2 42 VAL MG2 . . 5.500 5.496 4.998 5.569 0.069 19 0 "[ . 1 . 2]" 1
892 2 27 PRO HD3 2 44 ILE MD . . 5.500 5.345 4.897 5.615 0.115 13 0 "[ . 1 . 2]" 1
893 2 27 PRO HG2 2 28 ASP H . . 4.260 3.075 2.406 4.228 . 0 0 "[ . 1 . 2]" 1
894 2 28 ASP H 2 28 ASP HB2 . . 3.490 2.505 2.105 2.676 . 0 0 "[ . 1 . 2]" 1
895 2 28 ASP H 2 28 ASP HB3 . . 3.970 3.546 2.944 3.719 . 0 0 "[ . 1 . 2]" 1
896 2 28 ASP H 2 29 LEU H . . 3.710 2.594 2.447 2.698 . 0 0 "[ . 1 . 2]" 1
897 2 28 ASP H 2 30 ARG H . . 4.540 4.379 4.221 4.549 0.009 5 0 "[ . 1 . 2]" 1
898 2 28 ASP HA 2 28 ASP HB2 . . 3.030 2.961 2.690 3.027 . 0 0 "[ . 1 . 2]" 1
899 2 28 ASP HA 2 31 GLN H . . 4.870 4.003 3.713 4.385 . 0 0 "[ . 1 . 2]" 1
900 2 28 ASP HA 2 31 GLN HB2 . . 4.480 3.544 2.919 3.999 . 0 0 "[ . 1 . 2]" 1
901 2 28 ASP HB2 2 29 LEU H . . 3.750 2.921 2.688 3.630 . 0 0 "[ . 1 . 2]" 1
902 2 28 ASP HB3 2 29 LEU H . . 4.160 3.579 2.778 3.851 . 0 0 "[ . 1 . 2]" 1
903 2 29 LEU H 2 29 LEU HB2 . . 3.510 2.269 2.159 2.352 . 0 0 "[ . 1 . 2]" 1
904 2 29 LEU H 2 29 LEU HB3 . . 3.420 3.525 3.412 3.553 0.133 7 0 "[ . 1 . 2]" 1
905 2 29 LEU H 2 29 LEU HG . . 4.240 2.828 2.537 3.469 . 0 0 "[ . 1 . 2]" 1
906 2 29 LEU H 2 29 LEU MD1 . . 4.270 3.875 3.724 4.115 . 0 0 "[ . 1 . 2]" 1
907 2 29 LEU H 2 29 LEU MD2 . . 5.170 3.741 3.375 4.183 . 0 0 "[ . 1 . 2]" 1
908 2 29 LEU H 2 30 ARG H . . 3.300 2.871 2.798 2.985 . 0 0 "[ . 1 . 2]" 1
909 2 29 LEU H 2 30 ARG HA . . 5.480 5.417 5.357 5.484 0.004 16 0 "[ . 1 . 2]" 1
910 2 29 LEU H 2 31 GLN H . . 4.580 4.272 4.048 4.446 . 0 0 "[ . 1 . 2]" 1
911 2 29 LEU H 2 42 VAL MG1 . . 4.580 4.067 3.799 4.375 . 0 0 "[ . 1 . 2]" 1
912 2 29 LEU H 2 44 ILE MD . . 4.970 4.030 3.841 4.233 . 0 0 "[ . 1 . 2]" 1
913 2 29 LEU HA 2 29 LEU HG . . 4.110 3.034 2.661 3.237 . 0 0 "[ . 1 . 2]" 1
914 2 29 LEU HA 2 29 LEU MD1 . . 4.240 3.804 3.709 3.860 . 0 0 "[ . 1 . 2]" 1
915 2 29 LEU HA 2 29 LEU MD2 . . 4.260 2.054 2.009 2.103 . 0 0 "[ . 1 . 2]" 1
916 2 29 LEU HA 2 32 MET H . . 3.810 3.668 3.429 3.851 0.041 1 0 "[ . 1 . 2]" 1
917 2 29 LEU HA 2 32 MET HB2 . . 4.880 3.996 3.692 4.582 . 0 0 "[ . 1 . 2]" 1
918 2 29 LEU HA 2 32 MET HB3 . . 3.700 3.285 2.861 3.712 0.012 1 0 "[ . 1 . 2]" 1
919 2 29 LEU HA 2 32 MET ME . . 4.530 3.330 3.034 4.334 . 0 0 "[ . 1 . 2]" 1
920 2 29 LEU HA 2 33 PHE QD . . 4.670 3.156 2.757 3.627 . 0 0 "[ . 1 . 2]" 1
921 2 29 LEU HB2 2 29 LEU MD1 . . 3.580 2.377 2.322 2.476 . 0 0 "[ . 1 . 2]" 1
922 2 29 LEU HB2 2 29 LEU MD2 . . 3.360 3.273 3.254 3.290 . 0 0 "[ . 1 . 2]" 1
923 2 29 LEU HB2 2 30 ARG H . . 4.720 2.622 2.381 3.081 . 0 0 "[ . 1 . 2]" 1
924 2 29 LEU HB2 2 42 VAL HB . . 4.800 4.777 4.031 4.865 0.065 6 0 "[ . 1 . 2]" 1
925 2 29 LEU HB2 2 57 VAL MG2 . . 5.180 3.919 3.624 4.196 . 0 0 "[ . 1 . 2]" 1
926 2 29 LEU HB3 2 29 LEU MD1 . . 3.500 2.314 2.255 2.357 . 0 0 "[ . 1 . 2]" 1
927 2 29 LEU HB3 2 30 ARG H . . 4.390 3.153 2.904 3.377 . 0 0 "[ . 1 . 2]" 1
928 2 29 LEU HB3 2 57 VAL MG2 . . 5.070 2.796 2.568 3.068 . 0 0 "[ . 1 . 2]" 1
929 2 29 LEU HG 2 44 ILE MD . . 4.310 2.987 2.544 3.466 . 0 0 "[ . 1 . 2]" 1
930 2 29 LEU HG 2 57 VAL MG2 . . 5.310 4.873 4.507 5.305 . 0 0 "[ . 1 . 2]" 1
931 2 29 LEU MD1 2 30 ARG H . . 5.220 4.505 4.282 4.677 . 0 0 "[ . 1 . 2]" 1
932 2 29 LEU MD1 2 33 PHE QD . . 4.600 4.369 4.201 4.609 0.009 15 0 "[ . 1 . 2]" 1
933 2 29 LEU MD1 2 33 PHE QE . . 4.090 4.144 4.109 4.167 0.077 20 0 "[ . 1 . 2]" 1
934 2 29 LEU MD1 2 43 GLU H . . 5.510 3.765 3.385 4.101 . 0 0 "[ . 1 . 2]" 1
935 2 29 LEU MD1 2 55 GLY HA2 . . 5.600 3.784 3.603 4.022 . 0 0 "[ . 1 . 2]" 1
936 2 29 LEU MD1 2 56 PHE H . . 5.210 3.290 2.899 3.511 . 0 0 "[ . 1 . 2]" 1
937 2 29 LEU MD1 2 57 VAL MG1 . . 5.350 4.717 4.400 5.221 . 0 0 "[ . 1 . 2]" 1
938 2 29 LEU MD2 2 30 ARG H . . 4.790 4.702 4.484 4.784 . 0 0 "[ . 1 . 2]" 1
939 2 29 LEU MD2 2 32 MET ME . . 5.070 2.758 2.202 3.581 . 0 0 "[ . 1 . 2]" 1
940 2 29 LEU MD2 2 33 PHE H . . 5.490 4.978 4.172 5.430 . 0 0 "[ . 1 . 2]" 1
941 2 29 LEU MD2 2 33 PHE QD . . 3.700 3.014 2.326 3.628 . 0 0 "[ . 1 . 2]" 1
942 2 29 LEU MD2 2 33 PHE QE . . 3.920 2.281 2.108 2.613 . 0 0 "[ . 1 . 2]" 1
943 2 29 LEU MD2 2 57 VAL MG2 . . 4.280 3.229 2.419 3.601 . 0 0 "[ . 1 . 2]" 1
944 2 30 ARG H 2 30 ARG HD2 . . 4.930 4.421 3.474 4.978 0.048 9 0 "[ . 1 . 2]" 1
945 2 30 ARG H 2 30 ARG HD3 . . 4.360 4.220 3.658 4.607 0.247 10 0 "[ . 1 . 2]" 1
946 2 30 ARG H 2 30 ARG HG2 . . 3.870 2.407 2.093 2.930 . 0 0 "[ . 1 . 2]" 1
947 2 30 ARG H 2 30 ARG HG3 . . 4.230 3.721 3.267 4.136 . 0 0 "[ . 1 . 2]" 1
948 2 30 ARG H 2 31 GLN H . . 3.550 2.862 2.752 2.963 . 0 0 "[ . 1 . 2]" 1
949 2 30 ARG H 2 31 GLN HB2 . . 4.950 4.995 4.964 5.034 0.084 14 0 "[ . 1 . 2]" 1
950 2 30 ARG H 2 44 ILE MD . . 5.680 5.750 5.667 5.831 0.151 15 0 "[ . 1 . 2]" 1
951 2 30 ARG H 2 57 VAL MG2 . . 5.500 4.658 4.438 4.932 . 0 0 "[ . 1 . 2]" 1
952 2 30 ARG HA 2 30 ARG HG2 . . 4.030 3.729 3.654 3.798 . 0 0 "[ . 1 . 2]" 1
953 2 30 ARG HA 2 30 ARG HG3 . . 3.780 3.785 3.711 3.819 0.039 14 0 "[ . 1 . 2]" 1
954 2 30 ARG HA 2 32 MET H . . 4.690 4.262 4.018 4.472 . 0 0 "[ . 1 . 2]" 1
955 2 30 ARG HA 2 33 PHE H . . 4.630 3.236 3.033 3.436 . 0 0 "[ . 1 . 2]" 1
956 2 30 ARG HA 2 34 GLY H . . 4.900 3.287 3.129 3.712 . 0 0 "[ . 1 . 2]" 1
957 2 30 ARG HA 2 39 ILE MD . . 3.820 3.069 2.725 3.701 . 0 0 "[ . 1 . 2]" 1
958 2 30 ARG HA 2 39 ILE MG . . 4.680 3.847 3.564 4.072 . 0 0 "[ . 1 . 2]" 1
959 2 30 ARG HA 2 42 VAL MG2 . . 4.540 3.748 3.499 4.442 . 0 0 "[ . 1 . 2]" 1
960 2 30 ARG HA 2 57 VAL MG1 . . 5.420 3.951 3.596 4.163 . 0 0 "[ . 1 . 2]" 1
961 2 30 ARG HB2 2 30 ARG HD2 . . 4.210 3.075 2.500 3.710 . 0 0 "[ . 1 . 2]" 1
962 2 30 ARG HB2 2 30 ARG HD3 . . 3.960 3.187 2.279 3.925 . 0 0 "[ . 1 . 2]" 1
963 2 30 ARG HB2 2 31 GLN H . . 4.550 4.154 3.995 4.268 . 0 0 "[ . 1 . 2]" 1
964 2 30 ARG HB2 2 39 ILE MD . . 4.820 3.160 2.635 3.712 . 0 0 "[ . 1 . 2]" 1
965 2 30 ARG HB2 2 39 ILE MG . . 4.700 2.746 2.525 3.249 . 0 0 "[ . 1 . 2]" 1
966 2 30 ARG HB2 2 42 VAL MG2 . . 4.270 3.448 3.137 3.932 . 0 0 "[ . 1 . 2]" 1
967 2 30 ARG HB2 2 57 VAL MG1 . . 5.500 4.747 4.486 4.945 . 0 0 "[ . 1 . 2]" 1
968 2 30 ARG HB2 2 57 VAL MG2 . . 5.670 5.357 4.892 5.660 . 0 0 "[ . 1 . 2]" 1
969 2 30 ARG HD2 2 31 GLN H . . 5.800 5.149 4.900 5.433 . 0 0 "[ . 1 . 2]" 1
970 2 30 ARG HD2 2 42 VAL MG2 . . 4.980 3.604 2.213 4.425 . 0 0 "[ . 1 . 2]" 1
971 2 30 ARG HD3 2 31 GLN H . . 5.610 5.071 4.663 5.543 . 0 0 "[ . 1 . 2]" 1
972 2 30 ARG HG2 2 31 GLN H . . 3.660 2.736 2.443 3.375 . 0 0 "[ . 1 . 2]" 1
973 2 30 ARG HG2 2 39 ILE MG . . 5.500 4.749 4.215 5.110 . 0 0 "[ . 1 . 2]" 1
974 2 30 ARG HG2 2 42 VAL MG2 . . 4.380 3.878 3.146 4.395 0.015 17 0 "[ . 1 . 2]" 1
975 2 30 ARG HG3 2 31 GLN H . . 4.220 3.108 2.699 3.450 . 0 0 "[ . 1 . 2]" 1
976 2 30 ARG HG3 2 31 GLN HB2 . . 5.010 4.502 3.894 5.024 0.014 6 0 "[ . 1 . 2]" 1
977 2 30 ARG HG3 2 39 ILE MD . . 5.010 4.852 4.419 5.029 0.019 15 0 "[ . 1 . 2]" 1
978 2 31 GLN H 2 31 GLN HB2 . . 3.440 2.351 2.280 2.457 . 0 0 "[ . 1 . 2]" 1
979 2 31 GLN H 2 31 GLN HG2 . . 4.660 4.018 2.496 4.554 . 0 0 "[ . 1 . 2]" 1
980 2 31 GLN H 2 31 GLN HG3 . . 4.450 3.638 2.535 4.498 0.048 4 0 "[ . 1 . 2]" 1
981 2 31 GLN H 2 32 MET H . . 3.410 2.781 2.687 2.909 . 0 0 "[ . 1 . 2]" 1
982 2 31 GLN HA 2 31 GLN HG2 . . 3.870 2.824 2.404 3.815 . 0 0 "[ . 1 . 2]" 1
983 2 31 GLN HA 2 31 GLN HG3 . . 4.120 2.940 2.460 3.729 . 0 0 "[ . 1 . 2]" 1
984 2 31 GLN HB2 2 32 MET H . . 4.110 3.393 2.722 4.047 . 0 0 "[ . 1 . 2]" 1
985 2 31 GLN HB3 2 31 GLN HE22 . . 5.220 4.431 3.475 5.166 . 0 0 "[ . 1 . 2]" 1
986 2 31 GLN HB3 2 32 MET H . . 4.200 3.128 2.523 3.763 . 0 0 "[ . 1 . 2]" 1
987 2 31 GLN HE22 2 31 GLN HG2 . . 3.760 3.931 3.541 4.133 0.373 6 0 "[ . 1 . 2]" 1
988 2 32 MET H 2 32 MET HB2 . . 3.630 2.410 2.323 2.565 . 0 0 "[ . 1 . 2]" 1
989 2 32 MET H 2 32 MET HB3 . . 3.560 2.488 2.365 2.540 . 0 0 "[ . 1 . 2]" 1
990 2 32 MET H 2 32 MET HG2 . . 4.400 4.430 4.367 4.460 0.060 7 0 "[ . 1 . 2]" 1
991 2 32 MET H 2 32 MET HG3 . . 4.160 4.296 4.252 4.347 0.187 1 0 "[ . 1 . 2]" 1
992 2 32 MET H 2 32 MET ME . . 5.500 4.313 4.130 4.473 . 0 0 "[ . 1 . 2]" 1
993 2 32 MET H 2 33 PHE H . . 3.440 2.655 2.553 2.787 . 0 0 "[ . 1 . 2]" 1
994 2 32 MET H 2 33 PHE QD . . 5.140 4.151 3.972 4.349 . 0 0 "[ . 1 . 2]" 1
995 2 32 MET H 2 34 GLY H . . 4.840 4.264 4.119 4.428 . 0 0 "[ . 1 . 2]" 1
996 2 32 MET HA 2 32 MET HB2 . . 2.900 2.508 2.444 2.534 . 0 0 "[ . 1 . 2]" 1
997 2 32 MET HA 2 32 MET HG2 . . 3.550 3.097 3.016 3.234 . 0 0 "[ . 1 . 2]" 1
998 2 32 MET HA 2 32 MET HG3 . . 3.910 2.313 2.262 2.522 . 0 0 "[ . 1 . 2]" 1
999 2 32 MET HA 2 33 PHE H . . 4.540 3.600 3.579 3.623 . 0 0 "[ . 1 . 2]" 1
1000 2 32 MET HA 2 34 GLY H . . 4.930 4.866 4.754 4.952 0.022 3 0 "[ . 1 . 2]" 1
1001 2 32 MET HA 2 35 GLN H . . 5.220 4.804 4.605 5.011 . 0 0 "[ . 1 . 2]" 1
1002 2 32 MET HA 2 35 GLN HE21 . . 4.330 3.085 2.897 3.291 . 0 0 "[ . 1 . 2]" 1
1003 2 32 MET HA 2 35 GLN HE22 . . 4.830 3.688 3.290 3.974 . 0 0 "[ . 1 . 2]" 1
1004 2 32 MET HB2 2 33 PHE H . . 4.240 3.881 3.822 3.926 . 0 0 "[ . 1 . 2]" 1
1005 2 32 MET HB2 2 72 LEU MD1 . . 5.430 5.307 4.861 5.538 0.108 1 0 "[ . 1 . 2]" 1
1006 2 32 MET HB2 2 72 LEU MD2 . . 5.700 5.136 4.350 5.769 0.069 7 0 "[ . 1 . 2]" 1
1007 2 32 MET HB3 2 33 PHE H . . 4.330 2.623 2.521 2.711 . 0 0 "[ . 1 . 2]" 1
1008 2 32 MET HB3 2 33 PHE QD . . 5.300 2.874 2.328 3.380 . 0 0 "[ . 1 . 2]" 1
1009 2 32 MET HB3 2 34 GLY H . . 5.160 5.146 5.085 5.177 0.017 12 0 "[ . 1 . 2]" 1
1010 2 32 MET HB3 2 72 LEU MD1 . . 5.390 4.938 4.481 5.315 . 0 0 "[ . 1 . 2]" 1
1011 2 32 MET HB3 2 72 LEU MD2 . . 5.660 4.157 3.291 4.836 . 0 0 "[ . 1 . 2]" 1
1012 2 32 MET HG2 2 35 GLN HE21 . . 5.310 3.769 3.601 3.988 . 0 0 "[ . 1 . 2]" 1
1013 2 32 MET HG2 2 72 LEU MD1 . . 4.220 2.864 2.432 3.264 . 0 0 "[ . 1 . 2]" 1
1014 2 32 MET HG2 2 72 LEU MD2 . . 4.330 2.712 2.033 3.422 . 0 0 "[ . 1 . 2]" 1
1015 2 32 MET HG3 2 33 PHE H . . 5.580 4.716 4.555 4.792 . 0 0 "[ . 1 . 2]" 1
1016 2 32 MET HG3 2 72 LEU MD2 . . 4.420 3.964 3.189 4.433 0.013 11 0 "[ . 1 . 2]" 1
1017 2 32 MET ME 2 33 PHE QD . . 4.780 3.268 2.812 4.690 . 0 0 "[ . 1 . 2]" 1
1018 2 32 MET ME 2 33 PHE QE . . 4.410 2.408 2.174 4.219 . 0 0 "[ . 1 . 2]" 1
1019 2 32 MET ME 2 72 LEU MD1 . . 4.400 3.855 3.413 4.415 0.015 3 0 "[ . 1 . 2]" 1
1020 2 32 MET ME 2 72 LEU MD2 . . 4.520 3.382 2.329 4.427 . 0 0 "[ . 1 . 2]" 1
1021 2 32 MET ME 2 82 ILE HB . . 5.550 4.584 4.196 5.254 . 0 0 "[ . 1 . 2]" 1
1022 2 32 MET ME 2 82 ILE MD . . 3.930 2.232 2.029 3.296 . 0 0 "[ . 1 . 2]" 1
1023 2 32 MET ME 2 82 ILE MG . . 4.830 3.461 2.908 3.877 . 0 0 "[ . 1 . 2]" 1
1024 2 33 PHE H 2 33 PHE HB2 . . 3.610 2.145 2.107 2.216 . 0 0 "[ . 1 . 2]" 1
1025 2 33 PHE H 2 33 PHE HB3 . . 3.300 3.440 3.418 3.470 0.170 5 0 "[ . 1 . 2]" 1
1026 2 33 PHE H 2 33 PHE QD . . 4.090 2.666 2.496 2.879 . 0 0 "[ . 1 . 2]" 1
1027 2 33 PHE H 2 33 PHE QE . . 5.510 4.684 4.419 4.815 . 0 0 "[ . 1 . 2]" 1
1028 2 33 PHE H 2 34 GLY H . . 3.890 2.629 2.549 2.754 . 0 0 "[ . 1 . 2]" 1
1029 2 33 PHE H 2 34 GLY HA2 . . 5.710 5.180 5.119 5.289 . 0 0 "[ . 1 . 2]" 1
1030 2 33 PHE H 2 34 GLY HA3 . . 5.570 4.886 4.806 5.014 . 0 0 "[ . 1 . 2]" 1
1031 2 33 PHE H 2 39 ILE MD . . 4.620 3.994 3.737 4.179 . 0 0 "[ . 1 . 2]" 1
1032 2 33 PHE H 2 72 LEU MD2 . . 5.500 4.189 3.698 4.737 . 0 0 "[ . 1 . 2]" 1
1033 2 33 PHE HA 2 33 PHE QD . . 3.610 2.755 2.447 3.015 . 0 0 "[ . 1 . 2]" 1
1034 2 33 PHE HA 2 34 GLY H . . 4.500 3.584 3.554 3.605 . 0 0 "[ . 1 . 2]" 1
1035 2 33 PHE HA 2 35 GLN H . . 5.010 4.047 3.931 4.138 . 0 0 "[ . 1 . 2]" 1
1036 2 33 PHE HA 2 36 PHE H . . 5.290 4.335 4.206 4.572 . 0 0 "[ . 1 . 2]" 1
1037 2 33 PHE HA 2 36 PHE QD . . 4.410 2.972 2.538 3.306 . 0 0 "[ . 1 . 2]" 1
1038 2 33 PHE HA 2 39 ILE MD . . 4.900 4.081 3.924 4.268 . 0 0 "[ . 1 . 2]" 1
1039 2 33 PHE HA 2 72 LEU MD2 . . 4.330 2.434 2.281 2.658 . 0 0 "[ . 1 . 2]" 1
1040 2 33 PHE HB2 2 34 GLY H . . 4.160 2.991 2.879 3.088 . 0 0 "[ . 1 . 2]" 1
1041 2 33 PHE HB2 2 39 ILE MD . . 4.030 2.648 2.408 2.859 . 0 0 "[ . 1 . 2]" 1
1042 2 33 PHE HB2 2 57 VAL MG1 . . 4.620 3.186 2.869 3.355 . 0 0 "[ . 1 . 2]" 1
1043 2 33 PHE HB2 2 57 VAL MG2 . . 5.450 3.309 2.767 3.621 . 0 0 "[ . 1 . 2]" 1
1044 2 33 PHE HB3 2 34 GLY H . . 4.750 3.601 3.483 3.731 . 0 0 "[ . 1 . 2]" 1
1045 2 33 PHE HB3 2 39 ILE MD . . 4.000 2.314 2.199 2.641 . 0 0 "[ . 1 . 2]" 1
1046 2 33 PHE HB3 2 57 VAL MG1 . . 4.780 2.802 2.524 2.956 . 0 0 "[ . 1 . 2]" 1
1047 2 33 PHE HB3 2 57 VAL MG2 . . 5.310 3.604 3.128 3.905 . 0 0 "[ . 1 . 2]" 1
1048 2 33 PHE HB3 2 72 LEU MD2 . . 5.610 4.151 4.034 4.354 . 0 0 "[ . 1 . 2]" 1
1049 2 33 PHE HZ 2 72 LEU MD2 . . 4.650 3.552 2.991 4.261 . 0 0 "[ . 1 . 2]" 1
1050 2 33 PHE HZ 2 84 VAL MG1 . . 4.670 3.118 2.449 3.927 . 0 0 "[ . 1 . 2]" 1
1051 2 33 PHE HZ 2 84 VAL MG2 . . 4.010 2.462 2.225 2.790 . 0 0 "[ . 1 . 2]" 1
1052 2 33 PHE QD 2 39 ILE MD . . 5.000 4.101 3.979 4.375 . 0 0 "[ . 1 . 2]" 1
1053 2 33 PHE QD 2 57 VAL MG1 . . 4.660 3.610 3.292 3.929 . 0 0 "[ . 1 . 2]" 1
1054 2 33 PHE QD 2 57 VAL MG2 . . 4.210 2.979 2.651 3.417 . 0 0 "[ . 1 . 2]" 1
1055 2 33 PHE QD 2 72 LEU MD2 . . 4.490 2.678 2.380 3.012 . 0 0 "[ . 1 . 2]" 1
1056 2 33 PHE QE 2 57 VAL MG2 . . 4.800 3.575 3.069 3.920 . 0 0 "[ . 1 . 2]" 1
1057 2 33 PHE QE 2 72 LEU H . . 5.230 4.880 4.500 5.273 0.043 18 0 "[ . 1 . 2]" 1
1058 2 33 PHE QE 2 72 LEU HG . . 4.200 3.835 2.936 4.318 0.118 13 0 "[ . 1 . 2]" 1
1059 2 33 PHE QE 2 72 LEU MD2 . . 3.960 2.610 2.418 2.843 . 0 0 "[ . 1 . 2]" 1
1060 2 33 PHE QE 2 84 VAL MG1 . . 4.180 2.293 2.077 2.700 . 0 0 "[ . 1 . 2]" 1
1061 2 33 PHE QE 2 84 VAL MG2 . . 4.470 2.718 2.184 3.372 . 0 0 "[ . 1 . 2]" 1
1062 2 34 GLY H 2 34 GLY HA3 . . 2.860 2.263 2.255 2.270 . 0 0 "[ . 1 . 2]" 1
1063 2 34 GLY H 2 35 GLN H . . 4.020 2.967 2.900 3.037 . 0 0 "[ . 1 . 2]" 1
1064 2 34 GLY H 2 36 PHE H . . 5.320 4.572 4.475 4.730 . 0 0 "[ . 1 . 2]" 1
1065 2 34 GLY H 2 39 ILE H . . 5.500 5.585 5.553 5.605 0.105 8 0 "[ . 1 . 2]" 1
1066 2 34 GLY H 2 39 ILE HG13 . . 5.500 5.361 5.205 5.474 . 0 0 "[ . 1 . 2]" 1
1067 2 34 GLY H 2 39 ILE MD . . 4.040 2.695 2.535 2.788 . 0 0 "[ . 1 . 2]" 1
1068 2 34 GLY H 2 57 VAL MG1 . . 5.500 5.172 4.755 5.377 . 0 0 "[ . 1 . 2]" 1
1069 2 34 GLY HA2 2 36 PHE H . . 4.900 3.447 3.322 3.537 . 0 0 "[ . 1 . 2]" 1
1070 2 34 GLY HA2 2 39 ILE HB . . 5.760 4.502 4.372 4.725 . 0 0 "[ . 1 . 2]" 1
1071 2 34 GLY HA2 2 39 ILE HG13 . . 5.050 4.796 4.709 4.911 . 0 0 "[ . 1 . 2]" 1
1072 2 34 GLY HA2 2 39 ILE MD . . 2.990 2.075 2.008 2.128 . 0 0 "[ . 1 . 2]" 1
1073 2 34 GLY HA3 2 35 GLN H . . 4.370 3.212 3.122 3.342 . 0 0 "[ . 1 . 2]" 1
1074 2 34 GLY HA3 2 37 GLY H . . 5.690 4.413 4.294 4.503 . 0 0 "[ . 1 . 2]" 1
1075 2 34 GLY HA3 2 39 ILE HG12 . . 5.410 4.818 4.679 5.036 . 0 0 "[ . 1 . 2]" 1
1076 2 34 GLY HA3 2 39 ILE HG13 . . 5.500 5.555 5.523 5.579 0.079 5 0 "[ . 1 . 2]" 1
1077 2 34 GLY HA3 2 39 ILE MD . . 2.940 2.491 2.440 2.554 . 0 0 "[ . 1 . 2]" 1
1078 2 35 GLN H 2 35 GLN HB3 . . 3.840 2.493 2.439 2.543 . 0 0 "[ . 1 . 2]" 1
1079 2 35 GLN H 2 35 GLN HE21 . . 4.840 3.789 3.643 3.929 . 0 0 "[ . 1 . 2]" 1
1080 2 35 GLN H 2 35 GLN HG2 . . 3.410 2.249 2.178 2.314 . 0 0 "[ . 1 . 2]" 1
1081 2 35 GLN H 2 35 GLN HG3 . . 3.930 3.567 3.504 3.645 . 0 0 "[ . 1 . 2]" 1
1082 2 35 GLN H 2 36 PHE H . . 3.950 2.760 2.680 2.818 . 0 0 "[ . 1 . 2]" 1
1083 2 35 GLN H 2 36 PHE HB2 . . 5.710 4.965 4.800 5.043 . 0 0 "[ . 1 . 2]" 1
1084 2 35 GLN H 2 39 ILE MD . . 5.360 4.483 4.376 4.548 . 0 0 "[ . 1 . 2]" 1
1085 2 35 GLN HA 2 35 GLN HB2 . . 2.930 2.377 2.362 2.390 . 0 0 "[ . 1 . 2]" 1
1086 2 35 GLN HA 2 35 GLN HG2 . . 3.800 3.779 3.762 3.790 . 0 0 "[ . 1 . 2]" 1
1087 2 35 GLN HA 2 35 GLN HG3 . . 3.840 3.802 3.753 3.863 0.023 20 0 "[ . 1 . 2]" 1
1088 2 35 GLN HA 2 36 PHE H . . 4.490 3.441 3.405 3.475 . 0 0 "[ . 1 . 2]" 1
1089 2 35 GLN HB2 2 35 GLN HE22 . . 4.980 4.609 4.460 4.716 . 0 0 "[ . 1 . 2]" 1
1090 2 35 GLN HB2 2 36 PHE H . . 4.560 4.306 4.239 4.358 . 0 0 "[ . 1 . 2]" 1
1091 2 35 GLN HB2 2 36 PHE HA . . 5.060 4.995 4.883 5.070 0.010 14 0 "[ . 1 . 2]" 1
1092 2 35 GLN HB3 2 35 GLN HE21 . . 3.640 3.581 3.364 3.666 0.026 17 0 "[ . 1 . 2]" 1
1093 2 35 GLN HB3 2 35 GLN HE22 . . 4.400 4.032 3.785 4.234 . 0 0 "[ . 1 . 2]" 1
1094 2 35 GLN HB3 2 35 GLN HG2 . . 3.000 2.528 2.499 2.548 . 0 0 "[ . 1 . 2]" 1
1095 2 35 GLN HB3 2 36 PHE H . . 4.910 4.303 4.247 4.348 . 0 0 "[ . 1 . 2]" 1
1096 2 35 GLN HE21 2 72 LEU MD1 . . 4.830 3.153 2.874 3.511 . 0 0 "[ . 1 . 2]" 1
1097 2 35 GLN HE21 2 72 LEU MD2 . . 5.430 3.446 3.107 3.706 . 0 0 "[ . 1 . 2]" 1
1098 2 35 GLN HE22 2 72 LEU MD1 . . 4.950 3.586 3.084 4.209 . 0 0 "[ . 1 . 2]" 1
1099 2 35 GLN HE22 2 72 LEU MD2 . . 5.940 4.596 4.105 4.991 . 0 0 "[ . 1 . 2]" 1
1100 2 35 GLN HE21 2 35 GLN HG2 . . 3.020 2.147 2.021 2.236 . 0 0 "[ . 1 . 2]" 1
1101 2 35 GLN HE22 2 35 GLN HG2 . . 3.600 3.436 3.271 3.541 . 0 0 "[ . 1 . 2]" 1
1102 2 35 GLN HG2 2 36 PHE H . . 4.180 3.100 2.985 3.196 . 0 0 "[ . 1 . 2]" 1
1103 2 35 GLN HG2 2 72 LEU MD2 . . 4.940 4.017 3.692 4.281 . 0 0 "[ . 1 . 2]" 1
1104 2 35 GLN HE21 2 35 GLN HG3 . . 3.440 3.245 3.080 3.415 . 0 0 "[ . 1 . 2]" 1
1105 2 35 GLN HG3 2 36 PHE H . . 4.510 3.366 3.174 3.582 . 0 0 "[ . 1 . 2]" 1
1106 2 35 GLN HG3 2 36 PHE QE . . 5.310 3.134 3.073 3.199 . 0 0 "[ . 1 . 2]" 1
1107 2 35 GLN HG3 2 37 GLY H . . 5.650 5.477 5.365 5.650 0.000 2 0 "[ . 1 . 2]" 1
1108 2 36 PHE H 2 36 PHE HB2 . . 3.200 2.524 2.486 2.562 . 0 0 "[ . 1 . 2]" 1
1109 2 36 PHE H 2 36 PHE HB3 . . 3.910 3.692 3.654 3.725 . 0 0 "[ . 1 . 2]" 1
1110 2 36 PHE H 2 37 GLY H . . 3.620 2.259 2.175 2.320 . 0 0 "[ . 1 . 2]" 1
1111 2 36 PHE H 2 39 ILE MD . . 5.300 4.529 4.302 4.640 . 0 0 "[ . 1 . 2]" 1
1112 2 36 PHE H 2 72 LEU MD2 . . 5.750 5.096 4.745 5.388 . 0 0 "[ . 1 . 2]" 1
1113 2 36 PHE HA 2 36 PHE QE . . 4.650 4.517 4.436 4.604 . 0 0 "[ . 1 . 2]" 1
1114 2 36 PHE HA 2 68 ALA MB . . 5.320 4.967 4.777 5.140 . 0 0 "[ . 1 . 2]" 1
1115 2 36 PHE HB2 2 37 GLY H . . 4.700 3.343 3.014 3.588 . 0 0 "[ . 1 . 2]" 1
1116 2 36 PHE HB2 2 59 PHE HZ . . 4.590 3.557 3.160 3.859 . 0 0 "[ . 1 . 2]" 1
1117 2 36 PHE HB2 2 59 PHE QE . . 4.460 2.816 2.396 3.144 . 0 0 "[ . 1 . 2]" 1
1118 2 36 PHE HB2 2 68 ALA MB . . 3.900 2.346 2.234 2.497 . 0 0 "[ . 1 . 2]" 1
1119 2 36 PHE HB3 2 59 PHE QE . . 4.000 3.934 3.660 4.033 0.033 9 0 "[ . 1 . 2]" 1
1120 2 36 PHE HB3 2 64 ASP HA . . 5.570 4.474 3.976 5.033 . 0 0 "[ . 1 . 2]" 1
1121 2 36 PHE HB3 2 68 ALA MB . . 4.120 3.197 2.922 3.413 . 0 0 "[ . 1 . 2]" 1
1122 2 36 PHE HZ 2 68 ALA HA . . 5.500 4.778 4.039 5.452 . 0 0 "[ . 1 . 2]" 1
1123 2 36 PHE HZ 2 71 LYS HA . . 5.660 4.991 4.896 5.214 . 0 0 "[ . 1 . 2]" 1
1124 2 36 PHE HZ 2 71 LYS HB3 . . 4.250 2.573 2.414 2.747 . 0 0 "[ . 1 . 2]" 1
1125 2 36 PHE HZ 2 71 LYS HG2 . . 4.640 4.678 4.579 4.716 0.076 19 0 "[ . 1 . 2]" 1
1126 2 36 PHE HZ 2 71 LYS HG3 . . 4.680 3.327 3.204 3.453 . 0 0 "[ . 1 . 2]" 1
1127 2 36 PHE QD 2 68 ALA HA . . 4.850 2.752 2.510 3.019 . 0 0 "[ . 1 . 2]" 1
1128 2 36 PHE QD 2 71 LYS HG3 . . 5.500 3.534 3.298 3.834 . 0 0 "[ . 1 . 2]" 1
1129 2 36 PHE QD 2 72 LEU MD1 . . 4.500 3.863 3.646 4.019 . 0 0 "[ . 1 . 2]" 1
1130 2 36 PHE QD 2 72 LEU MD2 . . 4.200 2.721 2.209 3.365 . 0 0 "[ . 1 . 2]" 1
1131 2 36 PHE QE 2 68 ALA HA . . 4.690 3.593 3.143 4.011 . 0 0 "[ . 1 . 2]" 1
1132 2 36 PHE QE 2 71 LYS HB2 . . 4.590 3.243 3.016 3.362 . 0 0 "[ . 1 . 2]" 1
1133 2 36 PHE QE 2 71 LYS HB3 . . 4.570 3.201 2.835 3.534 . 0 0 "[ . 1 . 2]" 1
1134 2 36 PHE QE 2 71 LYS HD3 . . 5.330 4.189 2.613 5.172 . 0 0 "[ . 1 . 2]" 1
1135 2 36 PHE QE 2 71 LYS HE2 . . 5.520 4.424 2.537 5.218 . 0 0 "[ . 1 . 2]" 1
1136 2 36 PHE QE 2 71 LYS HG2 . . 4.610 4.240 3.973 4.417 . 0 0 "[ . 1 . 2]" 1
1137 2 36 PHE QE 2 71 LYS HG3 . . 5.110 2.756 2.403 3.074 . 0 0 "[ . 1 . 2]" 1
1138 2 36 PHE QE 2 72 LEU H . . 5.640 4.518 4.248 4.714 . 0 0 "[ . 1 . 2]" 1
1139 2 36 PHE QE 2 72 LEU MD1 . . 3.420 2.220 2.040 2.529 . 0 0 "[ . 1 . 2]" 1
1140 2 36 PHE QE 2 72 LEU MD2 . . 3.870 2.285 2.224 2.390 . 0 0 "[ . 1 . 2]" 1
1141 2 37 GLY H 2 39 ILE MD . . 4.760 4.036 3.731 4.224 . 0 0 "[ . 1 . 2]" 1
1142 2 37 GLY H 2 59 PHE QE . . 4.390 3.053 2.772 3.321 . 0 0 "[ . 1 . 2]" 1
1143 2 37 GLY HA2 2 38 LYS H . . 4.250 2.414 2.323 2.526 . 0 0 "[ . 1 . 2]" 1
1144 2 37 GLY HA2 2 38 LYS HB3 . . 5.600 4.884 4.722 5.051 . 0 0 "[ . 1 . 2]" 1
1145 2 37 GLY HA2 2 64 ASP HB2 . . 5.840 4.706 4.461 4.998 . 0 0 "[ . 1 . 2]" 1
1146 2 37 GLY HA2 2 64 ASP HB3 . . 5.500 3.561 3.179 4.255 . 0 0 "[ . 1 . 2]" 1
1147 2 37 GLY HA3 2 38 LYS H . . 4.230 2.795 2.682 2.956 . 0 0 "[ . 1 . 2]" 1
1148 2 38 LYS H 2 38 LYS HB3 . . 3.450 2.482 2.325 2.649 . 0 0 "[ . 1 . 2]" 1
1149 2 38 LYS H 2 38 LYS HG2 . . 4.650 4.519 4.485 4.580 . 0 0 "[ . 1 . 2]" 1
1150 2 38 LYS H 2 38 LYS HG3 . . 4.380 4.401 4.369 4.419 0.039 15 0 "[ . 1 . 2]" 1
1151 2 38 LYS H 2 39 ILE H . . 4.700 4.528 4.445 4.586 . 0 0 "[ . 1 . 2]" 1
1152 2 38 LYS H 2 40 LEU MD1 . . 5.500 4.814 4.641 5.102 . 0 0 "[ . 1 . 2]" 1
1153 2 38 LYS H 2 60 GLU HB3 . . 5.390 3.683 3.374 3.892 . 0 0 "[ . 1 . 2]" 1
1154 2 38 LYS H 2 60 GLU HG3 . . 5.560 4.620 4.201 5.600 0.040 16 0 "[ . 1 . 2]" 1
1155 2 38 LYS H 2 64 ASP HB2 . . 5.500 5.050 4.708 5.507 0.007 5 0 "[ . 1 . 2]" 1
1156 2 38 LYS HA 2 38 LYS HD3 . . 4.270 3.900 3.049 4.474 0.204 3 0 "[ . 1 . 2]" 1
1157 2 38 LYS HA 2 38 LYS HE3 . . 5.500 5.002 4.509 5.363 . 0 0 "[ . 1 . 2]" 1
1158 2 38 LYS HA 2 38 LYS HG3 . . 4.490 2.724 2.332 3.340 . 0 0 "[ . 1 . 2]" 1
1159 2 38 LYS HA 2 39 ILE H . . 3.640 2.162 2.140 2.194 . 0 0 "[ . 1 . 2]" 1
1160 2 38 LYS HA 2 39 ILE MD . . 5.610 3.661 3.417 3.748 . 0 0 "[ . 1 . 2]" 1
1161 2 38 LYS HB2 2 38 LYS HE3 . . 4.880 4.392 3.964 4.897 0.017 13 0 "[ . 1 . 2]" 1
1162 2 38 LYS HB2 2 39 ILE H . . 4.910 4.403 4.342 4.487 . 0 0 "[ . 1 . 2]" 1
1163 2 38 LYS HB3 2 39 ILE H . . 5.360 4.375 4.296 4.529 . 0 0 "[ . 1 . 2]" 1
1164 2 38 LYS HB3 2 60 GLU HB3 . . 4.590 2.558 2.296 3.745 . 0 0 "[ . 1 . 2]" 1
1165 2 38 LYS HD3 2 40 LEU MD1 . . 4.990 4.279 2.877 4.881 . 0 0 "[ . 1 . 2]" 1
1166 2 38 LYS HE2 2 40 LEU MD1 . . 4.740 3.498 2.049 4.257 . 0 0 "[ . 1 . 2]" 1
1167 2 38 LYS HE3 2 40 LEU MD1 . . 4.850 2.893 2.018 4.803 . 0 0 "[ . 1 . 2]" 1
1168 2 38 LYS HE2 2 38 LYS HG3 . . 3.940 3.462 2.482 3.884 . 0 0 "[ . 1 . 2]" 1
1169 2 38 LYS HE3 2 38 LYS HG3 . . 4.300 3.214 2.431 3.749 . 0 0 "[ . 1 . 2]" 1
1170 2 38 LYS HG3 2 39 ILE H . . 4.650 3.498 3.240 3.919 . 0 0 "[ . 1 . 2]" 1
1171 2 38 LYS HG3 2 40 LEU MD1 . . 4.880 3.383 2.185 4.272 . 0 0 "[ . 1 . 2]" 1
1172 2 39 ILE H 2 39 ILE HB . . 3.330 2.276 2.224 2.475 . 0 0 "[ . 1 . 2]" 1
1173 2 39 ILE H 2 39 ILE HG13 . . 4.650 3.921 3.814 3.998 . 0 0 "[ . 1 . 2]" 1
1174 2 39 ILE H 2 39 ILE MD . . 4.950 2.406 2.317 2.495 . 0 0 "[ . 1 . 2]" 1
1175 2 39 ILE H 2 39 ILE MG . . 4.050 3.714 3.678 3.823 . 0 0 "[ . 1 . 2]" 1
1176 2 39 ILE HA 2 39 ILE HG12 . . 4.230 3.582 3.534 3.681 . 0 0 "[ . 1 . 2]" 1
1177 2 39 ILE HA 2 39 ILE HG13 . . 4.000 2.286 2.193 2.456 . 0 0 "[ . 1 . 2]" 1
1178 2 39 ILE HA 2 39 ILE MD . . 4.210 2.702 2.598 2.876 . 0 0 "[ . 1 . 2]" 1
1179 2 39 ILE HA 2 40 LEU H . . 3.050 2.112 2.082 2.135 . 0 0 "[ . 1 . 2]" 1
1180 2 39 ILE HA 2 40 LEU HB2 . . 5.230 4.157 4.116 4.217 . 0 0 "[ . 1 . 2]" 1
1181 2 39 ILE HA 2 40 LEU HB3 . . 5.500 5.527 5.510 5.549 0.049 19 0 "[ . 1 . 2]" 1
1182 2 39 ILE HA 2 40 LEU MD2 . . 5.390 5.253 5.100 5.366 . 0 0 "[ . 1 . 2]" 1
1183 2 39 ILE HA 2 41 ASP H . . 4.140 3.773 3.687 3.870 . 0 0 "[ . 1 . 2]" 1
1184 2 39 ILE HA 2 58 THR H . . 5.280 4.441 4.294 4.689 . 0 0 "[ . 1 . 2]" 1
1185 2 39 ILE HA 2 59 PHE H . . 5.690 5.054 4.930 5.147 . 0 0 "[ . 1 . 2]" 1
1186 2 39 ILE HA 2 59 PHE HA . . 4.000 2.827 2.582 2.989 . 0 0 "[ . 1 . 2]" 1
1187 2 39 ILE HA 2 60 GLU H . . 4.650 4.008 3.745 4.193 . 0 0 "[ . 1 . 2]" 1
1188 2 39 ILE HB 2 39 ILE MD . . 2.820 2.364 2.333 2.418 . 0 0 "[ . 1 . 2]" 1
1189 2 39 ILE HB 2 41 ASP H . . 5.500 5.036 4.847 5.135 . 0 0 "[ . 1 . 2]" 1
1190 2 39 ILE HG13 2 40 LEU H . . 4.670 3.665 3.497 4.176 . 0 0 "[ . 1 . 2]" 1
1191 2 39 ILE HG13 2 41 ASP H . . 5.480 4.323 4.027 5.046 . 0 0 "[ . 1 . 2]" 1
1192 2 39 ILE HG13 2 58 THR H . . 4.580 3.772 3.610 3.955 . 0 0 "[ . 1 . 2]" 1
1193 2 39 ILE HG13 2 58 THR HA . . 5.500 5.545 5.499 5.578 0.078 19 0 "[ . 1 . 2]" 1
1194 2 39 ILE HG13 2 59 PHE HA . . 5.210 4.061 3.480 4.289 . 0 0 "[ . 1 . 2]" 1
1195 2 39 ILE HG13 2 59 PHE QD . . 5.000 4.206 3.759 4.580 . 0 0 "[ . 1 . 2]" 1
1196 2 39 ILE HG13 2 59 PHE QE . . 5.400 4.083 3.668 4.658 . 0 0 "[ . 1 . 2]" 1
1197 2 39 ILE MD 2 40 LEU H . . 4.910 4.476 4.382 4.657 . 0 0 "[ . 1 . 2]" 1
1198 2 39 ILE MD 2 42 VAL MG1 . . 5.500 5.432 4.789 5.535 0.035 16 0 "[ . 1 . 2]" 1
1199 2 39 ILE MD 2 59 PHE HA . . 4.760 3.957 3.721 4.343 . 0 0 "[ . 1 . 2]" 1
1200 2 39 ILE MD 2 59 PHE HZ . . 4.510 3.184 2.968 3.467 . 0 0 "[ . 1 . 2]" 1
1201 2 39 ILE MD 2 59 PHE QD . . 4.570 3.820 3.600 4.105 . 0 0 "[ . 1 . 2]" 1
1202 2 39 ILE MD 2 59 PHE QE . . 4.340 3.201 3.030 3.421 . 0 0 "[ . 1 . 2]" 1
1203 2 39 ILE MD 2 60 GLU H . . 5.400 4.958 4.586 5.355 . 0 0 "[ . 1 . 2]" 1
1204 2 39 ILE MD 2 68 ALA MB . . 5.640 4.554 4.408 4.723 . 0 0 "[ . 1 . 2]" 1
1205 2 39 ILE MD 2 39 ILE MG . . 3.860 3.224 3.196 3.240 . 0 0 "[ . 1 . 2]" 1
1206 2 39 ILE MG 2 40 LEU H . . 3.850 2.617 2.477 2.773 . 0 0 "[ . 1 . 2]" 1
1207 2 39 ILE MG 2 40 LEU HA . . 4.840 3.644 3.519 4.113 . 0 0 "[ . 1 . 2]" 1
1208 2 39 ILE MG 2 41 ASP H . . 3.710 2.295 2.169 2.409 . 0 0 "[ . 1 . 2]" 1
1209 2 39 ILE MG 2 41 ASP HA . . 4.400 3.480 3.294 3.722 . 0 0 "[ . 1 . 2]" 1
1210 2 39 ILE MG 2 41 ASP HB2 . . 5.520 4.922 4.823 5.078 . 0 0 "[ . 1 . 2]" 1
1211 2 39 ILE MG 2 41 ASP HB3 . . 5.370 4.674 4.443 4.762 . 0 0 "[ . 1 . 2]" 1
1212 2 39 ILE MG 2 42 VAL H . . 5.250 4.299 4.211 4.397 . 0 0 "[ . 1 . 2]" 1
1213 2 39 ILE MG 2 42 VAL HB . . 4.940 4.409 4.275 4.663 . 0 0 "[ . 1 . 2]" 1
1214 2 39 ILE MG 2 42 VAL MG2 . . 3.570 2.106 2.023 2.255 . 0 0 "[ . 1 . 2]" 1
1215 2 39 ILE MG 2 57 VAL MG1 . . 3.790 2.828 2.142 3.120 . 0 0 "[ . 1 . 2]" 1
1216 2 39 ILE MG 2 58 THR H . . 4.470 3.170 2.264 3.651 . 0 0 "[ . 1 . 2]" 1
1217 2 39 ILE MG 2 58 THR HB . . 4.840 4.121 3.427 4.322 . 0 0 "[ . 1 . 2]" 1
1218 2 39 ILE MG 2 58 THR MG . . 5.460 4.964 4.480 5.139 . 0 0 "[ . 1 . 2]" 1
1219 2 40 LEU H 2 40 LEU HB2 . . 4.030 2.294 2.165 2.325 . 0 0 "[ . 1 . 2]" 1
1220 2 40 LEU H 2 40 LEU HB3 . . 3.840 3.513 3.472 3.548 . 0 0 "[ . 1 . 2]" 1
1221 2 40 LEU H 2 40 LEU HG . . 4.880 4.403 4.099 4.503 . 0 0 "[ . 1 . 2]" 1
1222 2 40 LEU H 2 40 LEU MD1 . . 4.500 2.890 2.460 3.020 . 0 0 "[ . 1 . 2]" 1
1223 2 40 LEU H 2 40 LEU MD2 . . 4.090 4.057 3.779 4.106 0.016 3 0 "[ . 1 . 2]" 1
1224 2 40 LEU H 2 41 ASP H . . 3.370 2.122 2.076 2.442 . 0 0 "[ . 1 . 2]" 1
1225 2 40 LEU H 2 57 VAL MG1 . . 4.620 4.130 3.939 4.547 . 0 0 "[ . 1 . 2]" 1
1226 2 40 LEU H 2 58 THR H . . 4.970 3.787 3.540 4.099 . 0 0 "[ . 1 . 2]" 1
1227 2 40 LEU H 2 58 THR HB . . 4.370 3.259 2.973 3.400 . 0 0 "[ . 1 . 2]" 1
1228 2 40 LEU H 2 58 THR MG . . 4.780 3.679 3.568 3.838 . 0 0 "[ . 1 . 2]" 1
1229 2 40 LEU H 2 59 PHE HA . . 4.920 3.464 3.209 3.626 . 0 0 "[ . 1 . 2]" 1
1230 2 40 LEU HA 2 40 LEU HG . . 4.010 2.546 2.492 2.634 . 0 0 "[ . 1 . 2]" 1
1231 2 40 LEU HA 2 40 LEU MD1 . . 3.490 2.486 2.305 2.665 . 0 0 "[ . 1 . 2]" 1
1232 2 40 LEU HA 2 41 ASP H . . 4.490 3.535 3.507 3.561 . 0 0 "[ . 1 . 2]" 1
1233 2 40 LEU HA 2 58 THR HB . . 5.290 4.930 4.605 5.086 . 0 0 "[ . 1 . 2]" 1
1234 2 40 LEU HA 2 58 THR MG . . 5.120 4.933 4.850 5.071 . 0 0 "[ . 1 . 2]" 1
1235 2 40 LEU HB2 2 40 LEU MD2 . . 3.120 2.317 2.281 2.347 . 0 0 "[ . 1 . 2]" 1
1236 2 40 LEU HB2 2 41 ASP H . . 4.090 3.119 2.910 3.210 . 0 0 "[ . 1 . 2]" 1
1237 2 40 LEU HB2 2 41 ASP HB2 . . 5.480 4.602 4.391 4.770 . 0 0 "[ . 1 . 2]" 1
1238 2 40 LEU HB2 2 41 ASP HB3 . . 5.200 4.594 4.121 4.871 . 0 0 "[ . 1 . 2]" 1
1239 2 40 LEU HB2 2 58 THR HB . . 3.920 2.906 2.372 3.175 . 0 0 "[ . 1 . 2]" 1
1240 2 40 LEU HB2 2 58 THR MG . . 3.810 2.372 2.267 2.506 . 0 0 "[ . 1 . 2]" 1
1241 2 40 LEU HB3 2 40 LEU MD2 . . 3.600 2.328 2.287 2.382 . 0 0 "[ . 1 . 2]" 1
1242 2 40 LEU HB3 2 41 ASP H . . 4.470 3.595 3.476 3.694 . 0 0 "[ . 1 . 2]" 1
1243 2 40 LEU HB3 2 41 ASP HB2 . . 5.540 3.743 3.496 3.951 . 0 0 "[ . 1 . 2]" 1
1244 2 40 LEU HB3 2 58 THR HB . . 5.400 3.554 3.141 3.840 . 0 0 "[ . 1 . 2]" 1
1245 2 40 LEU HB3 2 58 THR MG . . 4.390 3.149 2.920 3.349 . 0 0 "[ . 1 . 2]" 1
1246 2 40 LEU HB3 2 60 GLU HA . . 5.510 5.459 5.289 5.578 0.068 8 0 "[ . 1 . 2]" 1
1247 2 40 LEU HG 2 60 GLU HA . . 4.720 4.638 4.419 4.737 0.017 20 0 "[ . 1 . 2]" 1
1248 2 40 LEU MD1 2 60 GLU H . . 3.650 2.647 2.479 2.817 . 0 0 "[ . 1 . 2]" 1
1249 2 40 LEU MD1 2 60 GLU HA . . 5.130 2.415 2.274 2.524 . 0 0 "[ . 1 . 2]" 1
1250 2 40 LEU MD1 2 60 GLU HB2 . . 5.250 3.100 2.277 3.603 . 0 0 "[ . 1 . 2]" 1
1251 2 40 LEU MD1 2 60 GLU HB3 . . 5.230 2.774 2.183 4.067 . 0 0 "[ . 1 . 2]" 1
1252 2 40 LEU MD2 2 41 ASP H . . 5.100 4.918 4.755 5.002 . 0 0 "[ . 1 . 2]" 1
1253 2 40 LEU MD2 2 58 THR HB . . 4.640 4.381 3.877 4.660 0.020 1 0 "[ . 1 . 2]" 1
1254 2 40 LEU MD2 2 58 THR MG . . 3.610 2.771 2.459 2.986 . 0 0 "[ . 1 . 2]" 1
1255 2 40 LEU MD2 2 59 PHE H . . 5.480 4.652 3.980 5.176 . 0 0 "[ . 1 . 2]" 1
1256 2 40 LEU MD2 2 59 PHE HA . . 4.910 4.520 4.077 4.923 0.013 7 0 "[ . 1 . 2]" 1
1257 2 40 LEU MD2 2 60 GLU H . . 5.190 3.985 3.709 4.299 . 0 0 "[ . 1 . 2]" 1
1258 2 40 LEU MD2 2 60 GLU HA . . 3.660 2.464 2.313 2.671 . 0 0 "[ . 1 . 2]" 1
1259 2 41 ASP H 2 41 ASP HB2 . . 3.490 3.418 3.273 3.515 0.025 8 0 "[ . 1 . 2]" 1
1260 2 41 ASP H 2 41 ASP HB3 . . 3.360 3.047 2.939 3.212 . 0 0 "[ . 1 . 2]" 1
1261 2 41 ASP H 2 42 VAL H . . 4.460 4.365 4.329 4.391 . 0 0 "[ . 1 . 2]" 1
1262 2 41 ASP H 2 58 THR H . . 4.110 2.889 2.730 3.091 . 0 0 "[ . 1 . 2]" 1
1263 2 41 ASP H 2 58 THR HB . . 4.160 2.352 2.034 2.557 . 0 0 "[ . 1 . 2]" 1
1264 2 41 ASP H 2 58 THR MG . . 4.520 3.802 3.554 4.007 . 0 0 "[ . 1 . 2]" 1
1265 2 41 ASP HA 2 42 VAL H . . 3.210 2.400 2.347 2.471 . 0 0 "[ . 1 . 2]" 1
1266 2 41 ASP HA 2 58 THR HB . . 4.790 4.352 4.210 4.462 . 0 0 "[ . 1 . 2]" 1
1267 2 41 ASP HB2 2 42 VAL H . . 4.800 3.940 3.908 3.979 . 0 0 "[ . 1 . 2]" 1
1268 2 41 ASP HB2 2 58 THR HB . . 3.810 3.450 3.228 3.814 0.004 5 0 "[ . 1 . 2]" 1
1269 2 41 ASP HB2 2 58 THR MG . . 4.470 4.059 3.828 4.283 . 0 0 "[ . 1 . 2]" 1
1270 2 41 ASP HB3 2 42 VAL H . . 4.550 3.647 3.277 3.893 . 0 0 "[ . 1 . 2]" 1
1271 2 41 ASP HB3 2 58 THR H . . 4.890 3.796 3.426 4.299 . 0 0 "[ . 1 . 2]" 1
1272 2 41 ASP HB3 2 58 THR HB . . 3.730 2.390 2.225 2.646 . 0 0 "[ . 1 . 2]" 1
1273 2 41 ASP HB3 2 58 THR MG . . 3.930 3.447 3.048 3.691 . 0 0 "[ . 1 . 2]" 1
1274 2 42 VAL H 2 42 VAL HB . . 3.680 3.066 2.966 3.546 . 0 0 "[ . 1 . 2]" 1
1275 2 42 VAL H 2 42 VAL MG2 . . 4.350 2.952 2.526 3.048 . 0 0 "[ . 1 . 2]" 1
1276 2 42 VAL H 2 43 GLU H . . 4.930 4.347 4.309 4.412 . 0 0 "[ . 1 . 2]" 1
1277 2 42 VAL H 2 58 THR H . . 5.880 4.912 4.720 5.120 . 0 0 "[ . 1 . 2]" 1
1278 2 42 VAL HA 2 43 GLU H . . 3.360 2.316 2.278 2.355 . 0 0 "[ . 1 . 2]" 1
1279 2 42 VAL HA 2 57 VAL MG1 . . 4.710 3.846 3.692 4.190 . 0 0 "[ . 1 . 2]" 1
1280 2 42 VAL HA 2 58 THR H . . 3.580 3.592 3.302 3.695 0.115 15 0 "[ . 1 . 2]" 1
1281 2 42 VAL HB 2 43 GLU H . . 4.450 3.775 3.149 3.915 . 0 0 "[ . 1 . 2]" 1
1282 2 42 VAL HB 2 57 VAL MG2 . . 4.830 4.809 4.425 4.862 0.032 5 0 "[ . 1 . 2]" 1
1283 2 42 VAL MG1 2 43 GLU H . . 4.560 2.367 2.231 2.698 . 0 0 "[ . 1 . 2]" 1
1284 2 42 VAL MG1 2 56 PHE H . . 4.640 3.826 3.639 4.250 . 0 0 "[ . 1 . 2]" 1
1285 2 42 VAL MG1 2 57 VAL HA . . 4.830 3.029 2.589 3.220 . 0 0 "[ . 1 . 2]" 1
1286 2 42 VAL MG1 2 57 VAL HB . . 4.940 4.767 4.378 4.938 . 0 0 "[ . 1 . 2]" 1
1287 2 42 VAL MG1 2 57 VAL MG1 . . 4.250 3.555 2.888 3.827 . 0 0 "[ . 1 . 2]" 1
1288 2 42 VAL MG1 2 57 VAL MG2 . . 3.670 2.214 1.989 2.336 . 0 0 "[ . 1 . 2]" 1
1289 2 42 VAL MG2 2 43 GLU H . . 4.670 4.191 4.071 4.334 . 0 0 "[ . 1 . 2]" 1
1290 2 42 VAL MG2 2 57 VAL HA . . 4.540 3.242 2.916 4.246 . 0 0 "[ . 1 . 2]" 1
1291 2 42 VAL MG2 2 57 VAL MG2 . . 3.940 3.024 2.799 3.997 0.057 15 0 "[ . 1 . 2]" 1
1292 2 43 GLU H 2 43 GLU HB3 . . 3.680 2.854 2.677 3.641 . 0 0 "[ . 1 . 2]" 1
1293 2 43 GLU H 2 43 GLU HG2 . . 4.780 4.772 3.014 4.983 0.203 16 0 "[ . 1 . 2]" 1
1294 2 43 GLU H 2 43 GLU HG3 . . 4.760 4.608 3.611 4.754 . 0 0 "[ . 1 . 2]" 1
1295 2 43 GLU H 2 44 ILE H . . 5.250 4.378 4.303 4.413 . 0 0 "[ . 1 . 2]" 1
1296 2 43 GLU H 2 56 PHE H . . 4.610 2.943 2.779 3.269 . 0 0 "[ . 1 . 2]" 1
1297 2 43 GLU H 2 56 PHE HB2 . . 5.500 3.500 3.226 3.989 . 0 0 "[ . 1 . 2]" 1
1298 2 43 GLU H 2 56 PHE HB3 . . 5.440 4.600 4.300 5.119 . 0 0 "[ . 1 . 2]" 1
1299 2 43 GLU H 2 57 VAL MG1 . . 5.500 5.354 5.201 5.529 0.029 5 0 "[ . 1 . 2]" 1
1300 2 43 GLU H 2 57 VAL MG2 . . 5.240 4.044 3.846 4.218 . 0 0 "[ . 1 . 2]" 1
1301 2 43 GLU HA 2 43 GLU HG2 . . 3.830 3.776 3.693 3.882 0.052 13 0 "[ . 1 . 2]" 1
1302 2 43 GLU HA 2 43 GLU HG3 . . 4.000 3.353 3.021 4.157 0.157 2 0 "[ . 1 . 2]" 1
1303 2 43 GLU HA 2 44 ILE H . . 3.320 2.258 2.210 2.309 . 0 0 "[ . 1 . 2]" 1
1304 2 43 GLU HB2 2 44 ILE H . . 4.680 3.996 2.431 4.403 . 0 0 "[ . 1 . 2]" 1
1305 2 43 GLU HB2 2 56 PHE H . . 5.140 4.823 4.069 5.218 0.078 13 0 "[ . 1 . 2]" 1
1306 2 43 GLU HB3 2 44 ILE H . . 4.520 3.916 3.681 4.167 . 0 0 "[ . 1 . 2]" 1
1307 2 43 GLU HG2 2 44 ILE H . . 4.650 4.262 4.011 4.694 0.044 13 0 "[ . 1 . 2]" 1
1308 2 43 GLU HG2 2 45 ILE MD . . 4.840 3.669 2.783 4.262 . 0 0 "[ . 1 . 2]" 1
1309 2 43 GLU HG3 2 44 ILE H . . 4.530 3.030 2.513 4.553 0.023 2 0 "[ . 1 . 2]" 1
1310 2 43 GLU HG3 2 45 ILE MD . . 4.960 2.640 2.135 4.589 . 0 0 "[ . 1 . 2]" 1
1311 2 44 ILE H 2 44 ILE HB . . 3.110 2.858 2.751 2.956 . 0 0 "[ . 1 . 2]" 1
1312 2 44 ILE H 2 44 ILE HG12 . . 4.340 4.244 4.113 4.355 0.015 13 0 "[ . 1 . 2]" 1
1313 2 44 ILE H 2 44 ILE HG13 . . 4.030 3.198 3.081 3.303 . 0 0 "[ . 1 . 2]" 1
1314 2 44 ILE H 2 44 ILE MD . . 4.660 4.288 4.029 4.465 . 0 0 "[ . 1 . 2]" 1
1315 2 44 ILE H 2 45 ILE H . . 5.560 4.235 4.003 4.356 . 0 0 "[ . 1 . 2]" 1
1316 2 44 ILE H 2 46 PHE QE . . 5.520 4.752 3.978 5.332 . 0 0 "[ . 1 . 2]" 1
1317 2 44 ILE HA 2 44 ILE HG12 . . 4.140 2.541 2.468 2.679 . 0 0 "[ . 1 . 2]" 1
1318 2 44 ILE HA 2 44 ILE HG13 . . 3.710 2.985 2.855 3.098 . 0 0 "[ . 1 . 2]" 1
1319 2 44 ILE HA 2 45 ILE H . . 3.470 2.088 1.957 2.216 . 0 0 "[ . 1 . 2]" 1
1320 2 44 ILE HA 2 55 GLY HA2 . . 4.280 2.439 2.268 2.631 . 0 0 "[ . 1 . 2]" 1
1321 2 44 ILE HB 2 45 ILE H . . 5.220 4.063 3.825 4.200 . 0 0 "[ . 1 . 2]" 1
1322 2 44 ILE HB 2 46 PHE QE . . 5.230 2.628 2.333 3.234 . 0 0 "[ . 1 . 2]" 1
1323 2 44 ILE HG12 2 45 ILE H . . 5.270 4.205 3.937 4.368 . 0 0 "[ . 1 . 2]" 1
1324 2 44 ILE HG13 2 55 GLY HA3 . . 5.260 4.420 3.964 4.847 . 0 0 "[ . 1 . 2]" 1
1325 2 44 ILE MD 2 45 ILE H . . 5.520 4.985 4.683 5.143 . 0 0 "[ . 1 . 2]" 1
1326 2 44 ILE MD 2 55 GLY HA2 . . 5.260 5.099 4.830 5.298 0.038 14 0 "[ . 1 . 2]" 1
1327 2 44 ILE MD 2 55 GLY HA3 . . 5.430 4.632 4.170 5.017 . 0 0 "[ . 1 . 2]" 1
1328 2 44 ILE HG12 2 44 ILE MG . . 3.620 2.388 2.327 2.446 . 0 0 "[ . 1 . 2]" 1
1329 2 44 ILE HG13 2 44 ILE MG . . 3.540 3.253 3.240 3.270 . 0 0 "[ . 1 . 2]" 1
1330 2 44 ILE MD 2 44 ILE MG . . 3.690 2.094 2.063 2.150 . 0 0 "[ . 1 . 2]" 1
1331 2 44 ILE MG 2 45 ILE H . . 3.990 2.465 2.088 2.786 . 0 0 "[ . 1 . 2]" 1
1332 2 44 ILE MG 2 45 ILE MD . . 5.400 3.714 3.265 4.280 . 0 0 "[ . 1 . 2]" 1
1333 2 44 ILE MG 2 46 PHE QD . . 4.500 2.530 2.097 3.282 . 0 0 "[ . 1 . 2]" 1
1334 2 44 ILE MG 2 46 PHE QE . . 4.430 2.621 2.268 3.208 . 0 0 "[ . 1 . 2]" 1
1335 2 44 ILE MG 2 51 SER HA . . 4.500 2.373 2.041 2.826 . 0 0 "[ . 1 . 2]" 1
1336 2 44 ILE MG 2 51 SER HB3 . . 5.290 3.543 2.432 4.369 . 0 0 "[ . 1 . 2]" 1
1337 2 44 ILE MG 2 52 LYS H . . 5.510 3.534 3.242 3.859 . 0 0 "[ . 1 . 2]" 1
1338 2 44 ILE MG 2 53 GLY H . . 5.690 4.356 4.033 4.881 . 0 0 "[ . 1 . 2]" 1
1339 2 44 ILE MG 2 54 PHE H . . 4.940 4.215 4.036 4.515 . 0 0 "[ . 1 . 2]" 1
1340 2 44 ILE MG 2 55 GLY HA2 . . 5.050 3.678 3.183 3.951 . 0 0 "[ . 1 . 2]" 1
1341 2 44 ILE MG 2 56 PHE H . . 5.490 5.166 4.729 5.456 . 0 0 "[ . 1 . 2]" 1
1342 2 45 ILE H 2 45 ILE HB . . 3.660 2.450 2.247 2.846 . 0 0 "[ . 1 . 2]" 1
1343 2 45 ILE H 2 45 ILE HG12 . . 4.260 3.348 1.723 4.053 . 0 0 "[ . 1 . 2]" 1
1344 2 45 ILE H 2 45 ILE MG . . 4.030 3.748 3.661 3.850 . 0 0 "[ . 1 . 2]" 1
1345 2 45 ILE H 2 55 GLY HA2 . . 4.500 3.091 2.795 3.407 . 0 0 "[ . 1 . 2]" 1
1346 2 45 ILE H 2 55 GLY HA3 . . 4.660 4.447 3.967 4.681 0.021 20 0 "[ . 1 . 2]" 1
1347 2 45 ILE H 2 56 PHE H . . 5.730 5.038 4.637 5.436 . 0 0 "[ . 1 . 2]" 1
1348 2 45 ILE HA 2 45 ILE MD . . 3.510 2.914 2.120 3.326 . 0 0 "[ . 1 . 2]" 1
1349 2 45 ILE HA 2 46 PHE QD . . 4.570 3.664 2.951 4.030 . 0 0 "[ . 1 . 2]" 1
1350 2 45 ILE MD 2 54 PHE QE . . 5.200 3.074 2.474 3.837 . 0 0 "[ . 1 . 2]" 1
1351 2 45 ILE MD 2 55 GLY HA2 . . 4.420 2.222 1.991 3.113 . 0 0 "[ . 1 . 2]" 1
1352 2 45 ILE MD 2 56 PHE H . . 5.250 3.289 2.849 4.041 . 0 0 "[ . 1 . 2]" 1
1353 2 45 ILE MD 2 56 PHE QD . . 5.000 2.012 1.887 2.110 . 0 0 "[ . 1 . 2]" 1
1354 2 45 ILE MG 2 46 PHE QD . . 4.840 4.872 4.567 5.009 0.169 4 0 "[ . 1 . 2]" 1
1355 2 45 ILE MG 2 52 LYS H . . 5.150 3.968 3.436 4.532 . 0 0 "[ . 1 . 2]" 1
1356 2 45 ILE MG 2 52 LYS HE2 . . 5.580 3.595 2.315 4.135 . 0 0 "[ . 1 . 2]" 1
1357 2 45 ILE MG 2 52 LYS HE3 . . 5.580 4.644 3.826 5.032 . 0 0 "[ . 1 . 2]" 1
1358 2 45 ILE MG 2 54 PHE HZ . . 4.500 2.410 2.109 3.058 . 0 0 "[ . 1 . 2]" 1
1359 2 45 ILE MG 2 54 PHE QD . . 4.500 3.744 3.150 3.963 . 0 0 "[ . 1 . 2]" 1
1360 2 45 ILE MG 2 54 PHE QE . . 4.300 2.304 2.046 2.658 . 0 0 "[ . 1 . 2]" 1
1361 2 46 PHE HA 2 47 ASN H . . 3.360 2.270 1.973 2.478 . 0 0 "[ . 1 . 2]" 1
1362 2 46 PHE HA 2 50 GLY H . . 5.720 4.494 3.162 5.262 . 0 0 "[ . 1 . 2]" 1
1363 2 46 PHE HA 2 51 SER HA . . 4.000 3.730 2.828 4.247 0.247 20 0 "[ . 1 . 2]" 1
1364 2 46 PHE HA 2 52 LYS H . . 4.510 3.168 2.569 4.079 . 0 0 "[ . 1 . 2]" 1
1365 2 46 PHE HB2 2 47 ASN H . . 4.340 3.090 1.785 4.513 0.173 16 0 "[ . 1 . 2]" 1
1366 2 46 PHE HB2 2 50 GLY H . . 5.510 4.474 2.573 5.685 0.175 6 0 "[ . 1 . 2]" 1
1367 2 46 PHE HB3 2 47 ASN H . . 4.480 2.922 2.008 4.262 . 0 0 "[ . 1 . 2]" 1
1368 2 46 PHE QD 2 47 ASN H . . 5.430 3.499 2.853 4.421 . 0 0 "[ . 1 . 2]" 1
1369 2 46 PHE QD 2 50 GLY H . . 5.370 2.684 2.181 3.912 . 0 0 "[ . 1 . 2]" 1
1370 2 46 PHE QD 2 50 GLY HA2 . . 4.340 3.127 2.503 3.323 . 0 0 "[ . 1 . 2]" 1
1371 2 46 PHE QD 2 50 GLY HA3 . . 4.430 4.513 3.952 4.686 0.256 9 0 "[ . 1 . 2]" 1
1372 2 46 PHE QD 2 51 SER H . . 5.000 4.356 3.779 5.036 0.036 15 0 "[ . 1 . 2]" 1
1373 2 46 PHE QD 2 51 SER HA . . 4.390 3.303 2.367 4.221 . 0 0 "[ . 1 . 2]" 1
1374 2 46 PHE QD 2 52 LYS H . . 5.540 4.227 3.504 4.857 . 0 0 "[ . 1 . 2]" 1
1375 2 46 PHE QE 2 51 SER H . . 5.000 4.526 3.952 4.934 . 0 0 "[ . 1 . 2]" 1
1376 2 46 PHE QE 2 51 SER HA . . 4.710 4.129 3.567 4.418 . 0 0 "[ . 1 . 2]" 1
1377 2 47 ASN H 2 47 ASN HD21 . . 5.080 3.708 2.198 5.215 0.135 10 0 "[ . 1 . 2]" 1
1378 2 47 ASN H 2 49 ARG H . . 5.190 3.541 3.019 4.483 . 0 0 "[ . 1 . 2]" 1
1379 2 47 ASN H 2 50 GLY H . . 3.950 3.823 3.199 4.112 0.162 5 0 "[ . 1 . 2]" 1
1380 2 47 ASN H 2 51 SER HA . . 5.130 5.190 4.654 5.468 0.338 15 0 "[ . 1 . 2]" 1
1381 2 47 ASN H 2 52 LYS H . . 5.320 4.702 3.473 5.350 0.030 20 0 "[ . 1 . 2]" 1
1382 2 47 ASN HA 2 47 ASN HD21 . . 4.710 4.162 3.319 4.672 . 0 0 "[ . 1 . 2]" 1
1383 2 47 ASN HA 2 48 GLU HA . . 4.720 4.784 4.557 4.968 0.248 1 0 "[ . 1 . 2]" 1
1384 2 47 ASN HA 2 49 ARG H . . 4.980 5.029 4.333 5.377 0.397 8 0 "[ . 1 . 2]" 1
1385 2 47 ASN HB2 2 48 GLU H . . 4.580 3.235 2.170 4.637 0.057 16 0 "[ . 1 . 2]" 1
1386 2 47 ASN HB2 2 49 ARG H . . 5.610 4.460 2.561 5.855 0.245 20 0 "[ . 1 . 2]" 1
1387 2 47 ASN HB3 2 48 GLU H . . 4.860 3.455 2.467 4.251 . 0 0 "[ . 1 . 2]" 1
1388 2 48 GLU H 2 48 GLU HB2 . . 3.820 3.713 3.015 4.036 0.216 2 0 "[ . 1 . 2]" 1
1389 2 48 GLU H 2 48 GLU HB3 . . 3.950 3.670 2.779 4.039 0.089 11 0 "[ . 1 . 2]" 1
1390 2 48 GLU H 2 48 GLU HG2 . . 3.940 2.868 2.034 4.909 0.969 16 1 "[ . 1 .+ 2]" 1
1391 2 48 GLU H 2 48 GLU HG3 . . 4.040 3.725 2.781 4.237 0.197 14 0 "[ . 1 . 2]" 1
1392 2 48 GLU H 2 49 ARG H . . 4.730 2.118 1.761 3.372 . 0 0 "[ . 1 . 2]" 1
1393 2 48 GLU H 2 49 ARG HG3 . . 5.350 4.477 2.886 5.698 0.348 16 0 "[ . 1 . 2]" 1
1394 2 48 GLU HA 2 48 GLU HB3 . . 2.900 2.333 2.168 2.966 0.066 16 0 "[ . 1 . 2]" 1
1395 2 48 GLU HA 2 48 GLU HG2 . . 3.900 3.533 2.768 3.696 . 0 0 "[ . 1 . 2]" 1
1396 2 48 GLU HA 2 48 GLU HG3 . . 3.940 3.867 2.238 4.164 0.224 3 0 "[ . 1 . 2]" 1
1397 2 48 GLU HB2 2 48 GLU HG2 . . 2.620 2.806 2.455 2.963 0.343 5 0 "[ . 1 . 2]" 1
1398 2 48 GLU HB2 2 49 ARG H . . 5.380 3.489 2.092 4.541 . 0 0 "[ . 1 . 2]" 1
1399 2 48 GLU HG3 2 49 ARG H . . 5.230 3.521 1.787 5.212 . 0 0 "[ . 1 . 2]" 1
1400 2 49 ARG H 2 49 ARG HB2 . . 3.120 2.674 1.868 3.095 . 0 0 "[ . 1 . 2]" 1
1401 2 49 ARG H 2 49 ARG HB3 . . 3.800 3.582 2.324 3.953 0.153 5 0 "[ . 1 . 2]" 1
1402 2 49 ARG H 2 49 ARG HD2 . . 5.140 3.530 1.999 4.917 . 0 0 "[ . 1 . 2]" 1
1403 2 49 ARG H 2 49 ARG HD3 . . 5.150 3.077 1.681 4.684 . 0 0 "[ . 1 . 2]" 1
1404 2 49 ARG H 2 49 ARG HG3 . . 3.380 2.898 1.818 3.815 0.435 3 0 "[ . 1 . 2]" 1
1405 2 49 ARG HA 2 49 ARG HD2 . . 4.430 3.914 3.270 4.457 0.027 12 0 "[ . 1 . 2]" 1
1406 2 49 ARG HA 2 49 ARG HD3 . . 4.400 3.788 3.046 4.296 . 0 0 "[ . 1 . 2]" 1
1407 2 49 ARG HA 2 49 ARG HE . . 5.160 5.249 5.063 5.460 0.300 1 0 "[ . 1 . 2]" 1
1408 2 49 ARG HA 2 49 ARG HG3 . . 3.440 2.639 2.058 3.520 0.080 13 0 "[ . 1 . 2]" 1
1409 2 49 ARG HB2 2 49 ARG HE . . 4.410 3.760 3.209 4.462 0.052 12 0 "[ . 1 . 2]" 1
1410 2 49 ARG HB2 2 50 GLY H . . 5.010 3.489 2.771 4.499 . 0 0 "[ . 1 . 2]" 1
1411 2 49 ARG HB3 2 49 ARG HD2 . . 3.840 3.508 2.033 4.120 0.280 11 0 "[ . 1 . 2]" 1
1412 2 49 ARG HB3 2 49 ARG HD3 . . 3.740 3.068 2.098 3.683 . 0 0 "[ . 1 . 2]" 1
1413 2 49 ARG HB3 2 49 ARG HE . . 4.320 4.091 3.505 4.361 0.041 13 0 "[ . 1 . 2]" 1
1414 2 49 ARG HB3 2 50 GLY H . . 4.940 4.147 3.276 4.601 . 0 0 "[ . 1 . 2]" 1
1415 2 49 ARG HD2 2 49 ARG HG3 . . 2.690 2.277 2.056 2.805 0.115 1 0 "[ . 1 . 2]" 1
1416 2 50 GLY H 2 51 SER H . . 4.460 3.425 2.055 4.549 0.089 3 0 "[ . 1 . 2]" 1
1417 2 22 PHE QD 2 51 SER H . . 5.000 4.594 4.173 5.044 0.044 16 0 "[ . 1 . 2]" 1
1418 2 46 PHE HZ 2 51 SER H . . 5.500 5.147 3.974 5.737 0.237 18 0 "[ . 1 . 2]" 1
1419 2 51 SER H 2 51 SER HB3 . . 3.780 3.287 2.709 3.650 . 0 0 "[ . 1 . 2]" 1
1420 2 51 SER H 2 52 LYS H . . 5.270 4.286 3.729 4.662 . 0 0 "[ . 1 . 2]" 1
1421 2 22 PHE QD 2 51 SER HA . . 5.500 5.327 5.147 5.601 0.101 9 0 "[ . 1 . 2]" 1
1422 2 46 PHE HZ 2 51 SER HA . . 5.500 5.439 4.784 5.638 0.138 19 0 "[ . 1 . 2]" 1
1423 2 51 SER HA 2 52 LYS H . . 3.500 2.212 2.068 2.381 . 0 0 "[ . 1 . 2]" 1
1424 2 44 ILE MG 2 51 SER QB . . 5.000 2.677 2.395 3.288 . 0 0 "[ . 1 . 2]" 1
1425 2 52 LYS H 2 52 LYS HD3 . . 5.270 4.833 4.620 5.306 0.036 9 0 "[ . 1 . 2]" 1
1426 2 52 LYS H 2 52 LYS HE2 . . 5.980 5.674 4.742 6.086 0.106 18 0 "[ . 1 . 2]" 1
1427 2 52 LYS H 2 52 LYS HG2 . . 4.790 4.301 2.450 4.525 . 0 0 "[ . 1 . 2]" 1
1428 2 52 LYS H 2 52 LYS HG3 . . 4.940 4.333 3.583 4.561 . 0 0 "[ . 1 . 2]" 1
1429 2 52 LYS H 2 53 GLY H . . 4.220 2.724 2.174 3.275 . 0 0 "[ . 1 . 2]" 1
1430 2 52 LYS H 2 54 PHE H . . 5.280 3.506 2.819 3.895 . 0 0 "[ . 1 . 2]" 1
1431 2 52 LYS HA 2 52 LYS HE2 . . 4.950 5.015 4.570 5.205 0.255 6 0 "[ . 1 . 2]" 1
1432 2 52 LYS HA 2 52 LYS HG3 . . 4.340 2.390 2.165 3.649 . 0 0 "[ . 1 . 2]" 1
1433 2 52 LYS HB2 2 52 LYS HE2 . . 5.500 3.972 3.231 4.443 . 0 0 "[ . 1 . 2]" 1
1434 2 52 LYS HB2 2 52 LYS HE3 . . 4.860 4.342 1.921 4.664 . 0 0 "[ . 1 . 2]" 1
1435 2 52 LYS HB3 2 52 LYS HE2 . . 5.500 3.196 2.122 4.208 . 0 0 "[ . 1 . 2]" 1
1436 2 52 LYS HB3 2 52 LYS HE3 . . 4.610 3.992 3.080 4.614 0.004 14 0 "[ . 1 . 2]" 1
1437 2 52 LYS HB3 2 54 PHE H . . 5.450 3.464 2.846 5.164 . 0 0 "[ . 1 . 2]" 1
1438 2 52 LYS HG2 2 53 GLY H . . 5.750 4.343 3.574 4.636 . 0 0 "[ . 1 . 2]" 1
1439 2 52 LYS HG2 2 53 GLY HA2 . . 5.450 5.673 5.506 5.808 0.358 13 0 "[ . 1 . 2]" 1
1440 2 53 GLY H 2 54 PHE H . . 4.130 2.428 1.957 3.121 . 0 0 "[ . 1 . 2]" 1
1441 2 20 ILE MD 2 53 GLY QA . . 4.500 2.563 2.220 2.947 . 0 0 "[ . 1 . 2]" 1
1442 2 22 PHE QD 2 53 GLY QA . . 5.000 2.679 2.097 3.083 . 0 0 "[ . 1 . 2]" 1
1443 2 22 PHE QE 2 53 GLY QA . . 5.500 2.562 2.141 3.497 . 0 0 "[ . 1 . 2]" 1
1444 2 54 PHE H 2 54 PHE QD . . 4.480 2.839 2.363 3.565 . 0 0 "[ . 1 . 2]" 1
1445 2 54 PHE H 2 55 GLY H . . 4.970 4.429 4.379 4.508 . 0 0 "[ . 1 . 2]" 1
1446 2 54 PHE HA 2 54 PHE QD . . 4.450 3.686 3.434 3.785 . 0 0 "[ . 1 . 2]" 1
1447 2 54 PHE HA 2 55 GLY H . . 4.260 2.415 2.316 2.562 . 0 0 "[ . 1 . 2]" 1
1448 2 54 PHE HB2 2 55 GLY H . . 4.580 2.793 2.403 3.189 . 0 0 "[ . 1 . 2]" 1
1449 2 54 PHE HB3 2 55 GLY H . . 4.930 4.028 3.796 4.205 . 0 0 "[ . 1 . 2]" 1
1450 2 54 PHE QD 2 55 GLY H . . 4.400 2.748 2.390 3.291 . 0 0 "[ . 1 . 2]" 1
1451 2 55 GLY H 2 56 PHE H . . 5.560 4.418 4.355 4.466 . 0 0 "[ . 1 . 2]" 1
1452 2 55 GLY HA2 2 56 PHE H . . 3.510 2.507 2.398 2.639 . 0 0 "[ . 1 . 2]" 1
1453 2 55 GLY HA2 2 56 PHE HA . . 5.160 4.566 4.519 4.602 . 0 0 "[ . 1 . 2]" 1
1454 2 55 GLY HA3 2 56 PHE H . . 3.610 2.608 2.501 2.731 . 0 0 "[ . 1 . 2]" 1
1455 2 56 PHE H 2 56 PHE HB2 . . 3.900 2.893 2.762 3.035 . 0 0 "[ . 1 . 2]" 1
1456 2 56 PHE H 2 56 PHE HB3 . . 3.930 3.915 3.826 3.987 0.057 7 0 "[ . 1 . 2]" 1
1457 2 56 PHE H 2 57 VAL H . . 5.100 4.384 4.341 4.407 . 0 0 "[ . 1 . 2]" 1
1458 2 56 PHE H 2 57 VAL MG2 . . 5.170 4.021 3.894 4.148 . 0 0 "[ . 1 . 2]" 1
1459 2 56 PHE HA 2 57 VAL H . . 3.390 2.265 2.165 2.330 . 0 0 "[ . 1 . 2]" 1
1460 2 56 PHE HA 2 57 VAL HB . . 5.100 4.261 4.093 4.385 . 0 0 "[ . 1 . 2]" 1
1461 2 56 PHE HA 2 57 VAL MG1 . . 5.500 5.332 5.266 5.389 . 0 0 "[ . 1 . 2]" 1
1462 2 56 PHE HA 2 57 VAL MG2 . . 5.380 3.366 3.257 3.472 . 0 0 "[ . 1 . 2]" 1
1463 2 56 PHE HB2 2 57 VAL H . . 4.070 3.622 3.402 3.902 . 0 0 "[ . 1 . 2]" 1
1464 2 56 PHE HB2 2 87 ALA MB . . 4.590 4.601 4.431 4.723 0.133 5 0 "[ . 1 . 2]" 1
1465 2 56 PHE HB3 2 57 VAL H . . 4.420 2.444 2.183 2.686 . 0 0 "[ . 1 . 2]" 1
1466 2 56 PHE QD 2 87 ALA MB . . 4.220 2.112 1.972 2.393 . 0 0 "[ . 1 . 2]" 1
1467 2 16 HIS HD2 2 56 PHE QE . . 5.000 2.946 2.703 3.192 . 0 0 "[ . 1 . 2]" 1
1468 2 57 VAL H 2 57 VAL HB . . 3.610 2.685 2.507 2.808 . 0 0 "[ . 1 . 2]" 1
1469 2 57 VAL H 2 57 VAL MG1 . . 4.440 3.863 3.770 3.935 . 0 0 "[ . 1 . 2]" 1
1470 2 57 VAL H 2 57 VAL MG2 . . 4.340 3.015 2.892 3.158 . 0 0 "[ . 1 . 2]" 1
1471 2 57 VAL HA 2 57 VAL MG1 . . 3.510 2.398 2.368 2.489 . 0 0 "[ . 1 . 2]" 1
1472 2 57 VAL HA 2 57 VAL MG2 . . 3.610 2.454 2.399 2.499 . 0 0 "[ . 1 . 2]" 1
1473 2 57 VAL HA 2 58 THR H . . 4.850 2.304 2.194 2.355 . 0 0 "[ . 1 . 2]" 1
1474 2 57 VAL HB 2 58 THR H . . 4.960 3.997 3.898 4.211 . 0 0 "[ . 1 . 2]" 1
1475 2 57 VAL HB 2 59 PHE QD . . 4.910 3.577 3.343 3.851 . 0 0 "[ . 1 . 2]" 1
1476 2 57 VAL HB 2 59 PHE QE . . 4.970 3.114 2.615 3.611 . 0 0 "[ . 1 . 2]" 1
1477 2 57 VAL MG1 2 58 THR H . . 3.980 2.313 2.224 2.540 . 0 0 "[ . 1 . 2]" 1
1478 2 57 VAL MG1 2 58 THR HA . . 5.290 3.526 3.327 3.749 . 0 0 "[ . 1 . 2]" 1
1479 2 57 VAL MG1 2 59 PHE QD . . 4.370 2.391 2.200 2.543 . 0 0 "[ . 1 . 2]" 1
1480 2 57 VAL MG1 2 59 PHE QE . . 4.200 2.269 2.168 2.497 . 0 0 "[ . 1 . 2]" 1
1481 2 57 VAL MG2 2 58 THR H . . 4.100 3.976 3.891 4.057 . 0 0 "[ . 1 . 2]" 1
1482 2 58 THR H 2 58 THR HB . . 3.710 2.724 2.557 2.802 . 0 0 "[ . 1 . 2]" 1
1483 2 58 THR H 2 58 THR MG . . 4.650 3.950 3.852 3.999 . 0 0 "[ . 1 . 2]" 1
1484 2 58 THR HA 2 59 PHE H . . 3.200 2.142 2.087 2.222 . 0 0 "[ . 1 . 2]" 1
1485 2 58 THR HA 2 59 PHE QD . . 5.290 3.611 3.342 4.163 . 0 0 "[ . 1 . 2]" 1
1486 2 58 THR HB 2 59 PHE H . . 4.950 4.067 3.886 4.291 . 0 0 "[ . 1 . 2]" 1
1487 2 58 THR MG 2 59 PHE H . . 4.240 2.571 2.380 3.063 . 0 0 "[ . 1 . 2]" 1
1488 2 58 THR MG 2 59 PHE HA . . 5.270 4.081 3.958 4.325 . 0 0 "[ . 1 . 2]" 1
1489 2 58 THR MG 2 59 PHE HB2 . . 5.350 4.453 4.260 4.862 . 0 0 "[ . 1 . 2]" 1
1490 2 58 THR MG 2 59 PHE HB3 . . 5.500 5.201 5.038 5.512 0.012 5 0 "[ . 1 . 2]" 1
1491 2 58 THR MG 2 60 GLU HA . . 5.440 4.585 4.385 4.842 . 0 0 "[ . 1 . 2]" 1
1492 2 59 PHE H 2 59 PHE HB2 . . 3.690 2.290 2.236 2.391 . 0 0 "[ . 1 . 2]" 1
1493 2 59 PHE H 2 59 PHE HB3 . . 3.730 3.476 3.412 3.537 . 0 0 "[ . 1 . 2]" 1
1494 2 59 PHE H 2 59 PHE QD . . 4.520 3.186 3.118 3.274 . 0 0 "[ . 1 . 2]" 1
1495 2 59 PHE H 2 59 PHE QE . . 5.310 5.416 5.342 5.506 0.196 16 0 "[ . 1 . 2]" 1
1496 2 59 PHE H 2 60 GLU H . . 5.420 4.474 4.420 4.548 . 0 0 "[ . 1 . 2]" 1
1497 2 59 PHE H 2 65 ALA MB . . 4.970 4.003 3.847 4.192 . 0 0 "[ . 1 . 2]" 1
1498 2 39 ILE MG 2 59 PHE HA . . 5.000 4.807 4.183 5.008 0.008 17 0 "[ . 1 . 2]" 1
1499 2 41 ASP H 2 59 PHE HA . . 5.500 5.199 4.988 5.453 . 0 0 "[ . 1 . 2]" 1
1500 2 59 PHE HA 2 60 GLU H . . 3.110 2.194 2.166 2.227 . 0 0 "[ . 1 . 2]" 1
1501 2 59 PHE HA 2 60 GLU HA . . 5.360 4.332 4.296 4.403 . 0 0 "[ . 1 . 2]" 1
1502 2 59 PHE HA 2 65 ALA MB . . 5.440 4.641 4.493 4.829 . 0 0 "[ . 1 . 2]" 1
1503 2 59 PHE HB2 2 60 GLU H . . 4.330 4.272 4.196 4.343 0.013 13 0 "[ . 1 . 2]" 1
1504 2 59 PHE HB2 2 64 ASP H . . 5.650 5.718 5.647 5.792 0.142 18 0 "[ . 1 . 2]" 1
1505 2 59 PHE HB2 2 65 ALA H . . 5.520 4.057 3.817 4.152 . 0 0 "[ . 1 . 2]" 1
1506 2 59 PHE HB3 2 60 GLU H . . 4.400 3.167 3.032 3.318 . 0 0 "[ . 1 . 2]" 1
1507 2 59 PHE HB3 2 61 ASN H . . 5.240 2.765 2.500 2.980 . 0 0 "[ . 1 . 2]" 1
1508 2 59 PHE HB3 2 65 ALA H . . 4.910 3.258 3.098 3.401 . 0 0 "[ . 1 . 2]" 1
1509 2 59 PHE HB3 2 65 ALA MB . . 4.390 2.482 2.293 2.774 . 0 0 "[ . 1 . 2]" 1
1510 2 59 PHE HZ 2 65 ALA HA . . 4.530 4.260 4.040 4.451 . 0 0 "[ . 1 . 2]" 1
1511 2 59 PHE QD 2 60 GLU H . . 5.060 3.543 3.380 3.730 . 0 0 "[ . 1 . 2]" 1
1512 2 59 PHE QD 2 61 ASN H . . 4.930 4.059 3.786 4.384 . 0 0 "[ . 1 . 2]" 1
1513 2 59 PHE QD 2 65 ALA HA . . 4.490 3.197 3.053 3.419 . 0 0 "[ . 1 . 2]" 1
1514 2 59 PHE QD 2 65 ALA MB . . 4.080 3.208 3.099 3.318 . 0 0 "[ . 1 . 2]" 1
1515 2 59 PHE QE 2 65 ALA H . . 5.500 5.157 4.808 5.408 . 0 0 "[ . 1 . 2]" 1
1516 2 59 PHE QE 2 65 ALA HA . . 3.880 3.600 3.427 3.791 . 0 0 "[ . 1 . 2]" 1
1517 2 60 GLU H 2 60 GLU HB3 . . 3.560 2.421 2.328 2.626 . 0 0 "[ . 1 . 2]" 1
1518 2 60 GLU H 2 60 GLU HG3 . . 4.880 3.802 3.370 4.520 . 0 0 "[ . 1 . 2]" 1
1519 2 60 GLU H 2 61 ASN H . . 3.930 3.120 2.965 3.221 . 0 0 "[ . 1 . 2]" 1
1520 2 60 GLU HA 2 60 GLU HG3 . . 3.880 3.658 3.048 3.833 . 0 0 "[ . 1 . 2]" 1
1521 2 60 GLU HB2 2 61 ASN H . . 4.970 3.986 3.811 4.207 . 0 0 "[ . 1 . 2]" 1
1522 2 60 GLU HG3 2 61 ASN H . . 4.490 2.972 2.459 4.048 . 0 0 "[ . 1 . 2]" 1
1523 2 60 GLU HG3 2 61 ASN HA . . 4.750 4.712 4.564 4.792 0.042 2 0 "[ . 1 . 2]" 1
1524 2 60 GLU HG3 2 61 ASN HD21 . . 4.940 2.204 1.779 4.930 . 0 0 "[ . 1 . 2]" 1
1525 2 60 GLU HG3 2 61 ASN HD22 . . 4.900 3.363 2.689 4.662 . 0 0 "[ . 1 . 2]" 1
1526 2 61 ASN H 2 61 ASN HB3 . . 3.490 3.491 3.144 3.596 0.106 8 0 "[ . 1 . 2]" 1
1527 2 61 ASN H 2 61 ASN HD21 . . 4.260 2.766 2.519 3.177 . 0 0 "[ . 1 . 2]" 1
1528 2 61 ASN H 2 61 ASN HD22 . . 4.380 3.677 3.147 4.459 0.079 17 0 "[ . 1 . 2]" 1
1529 2 61 ASN H 2 62 SER H . . 5.120 4.370 4.342 4.402 . 0 0 "[ . 1 . 2]" 1
1530 2 61 ASN H 2 63 ALA H . . 5.500 5.221 4.995 5.399 . 0 0 "[ . 1 . 2]" 1
1531 2 61 ASN H 2 64 ASP H . . 5.690 4.082 3.771 4.355 . 0 0 "[ . 1 . 2]" 1
1532 2 61 ASN HA 2 61 ASN HD21 . . 4.320 3.904 3.555 4.216 . 0 0 "[ . 1 . 2]" 1
1533 2 61 ASN HA 2 61 ASN HD22 . . 5.110 4.864 4.616 5.113 0.003 5 0 "[ . 1 . 2]" 1
1534 2 61 ASN HA 2 62 SER H . . 3.860 2.421 2.284 2.494 . 0 0 "[ . 1 . 2]" 1
1535 2 61 ASN HA 2 62 SER HA . . 4.890 4.322 4.259 4.413 . 0 0 "[ . 1 . 2]" 1
1536 2 61 ASN HA 2 63 ALA H . . 5.100 4.582 4.304 4.702 . 0 0 "[ . 1 . 2]" 1
1537 2 61 ASN HA 2 64 ASP H . . 5.440 5.085 4.921 5.175 . 0 0 "[ . 1 . 2]" 1
1538 2 61 ASN HB2 2 61 ASN HD21 . . 3.650 3.506 2.838 3.640 . 0 0 "[ . 1 . 2]" 1
1539 2 61 ASN HB2 2 62 SER H . . 4.510 2.506 2.315 2.821 . 0 0 "[ . 1 . 2]" 1
1540 2 61 ASN HB2 2 63 ALA H . . 4.580 3.446 2.904 4.023 . 0 0 "[ . 1 . 2]" 1
1541 2 61 ASN HB2 2 63 ALA MB . . 4.920 4.311 3.576 4.774 . 0 0 "[ . 1 . 2]" 1
1542 2 61 ASN HB3 2 61 ASN HD22 . . 3.980 3.606 3.448 3.918 . 0 0 "[ . 1 . 2]" 1
1543 2 61 ASN HB3 2 62 SER H . . 5.180 3.888 3.743 4.057 . 0 0 "[ . 1 . 2]" 1
1544 2 61 ASN HB3 2 63 ALA H . . 5.300 4.776 4.546 4.901 . 0 0 "[ . 1 . 2]" 1
1545 2 61 ASN HD21 2 63 ALA H . . 5.410 4.852 2.956 5.427 0.017 18 0 "[ . 1 . 2]" 1
1546 2 61 ASN HD21 2 63 ALA MB . . 5.370 4.727 3.114 5.373 0.003 16 0 "[ . 1 . 2]" 1
1547 2 61 ASN HD21 2 65 ALA MB . . 5.620 5.791 4.473 6.480 0.860 18 2 "[ . 1- . + 2]" 1
1548 2 61 ASN HD22 2 63 ALA H . . 5.490 4.201 2.936 5.081 . 0 0 "[ . 1 . 2]" 1
1549 2 61 ASN HD22 2 63 ALA MB . . 4.900 3.587 1.907 4.463 . 0 0 "[ . 1 . 2]" 1
1550 2 62 SER H 2 62 SER HB2 . . 3.720 3.459 2.786 3.589 . 0 0 "[ . 1 . 2]" 1
1551 2 62 SER H 2 62 SER HB3 . . 3.550 2.747 2.555 3.534 . 0 0 "[ . 1 . 2]" 1
1552 2 62 SER H 2 63 ALA H . . 5.270 2.902 2.760 3.022 . 0 0 "[ . 1 . 2]" 1
1553 2 62 SER H 2 64 ASP H . . 5.550 4.424 4.361 4.510 . 0 0 "[ . 1 . 2]" 1
1554 2 62 SER HA 2 64 ASP H . . 4.980 3.867 3.654 4.288 . 0 0 "[ . 1 . 2]" 1
1555 2 62 SER HA 2 65 ALA H . . 4.840 3.298 3.109 3.480 . 0 0 "[ . 1 . 2]" 1
1556 2 62 SER HA 2 65 ALA MB . . 4.280 2.209 2.055 2.331 . 0 0 "[ . 1 . 2]" 1
1557 2 62 SER HB2 2 63 ALA H . . 4.890 3.578 2.766 3.824 . 0 0 "[ . 1 . 2]" 1
1558 2 62 SER HB2 2 64 ASP H . . 5.500 5.207 4.967 5.571 0.071 18 0 "[ . 1 . 2]" 1
1559 2 62 SER HB2 2 65 ALA MB . . 5.100 4.055 3.759 4.696 . 0 0 "[ . 1 . 2]" 1
1560 2 62 SER HB3 2 65 ALA MB . . 5.190 4.080 3.695 4.294 . 0 0 "[ . 1 . 2]" 1
1561 2 63 ALA H 2 63 ALA HA . . 2.800 2.848 2.816 2.868 0.068 15 0 "[ . 1 . 2]" 1
1562 2 63 ALA H 2 63 ALA MB . . 3.400 2.226 2.179 2.241 . 0 0 "[ . 1 . 2]" 1
1563 2 63 ALA H 2 64 ASP H . . 4.190 2.852 2.750 2.973 . 0 0 "[ . 1 . 2]" 1
1564 2 63 ALA H 2 65 ALA H . . 4.960 4.239 4.127 4.357 . 0 0 "[ . 1 . 2]" 1
1565 2 63 ALA HA 2 65 ALA H . . 5.300 4.581 4.438 4.697 . 0 0 "[ . 1 . 2]" 1
1566 2 63 ALA HA 2 66 ASP H . . 4.260 3.863 3.445 4.069 . 0 0 "[ . 1 . 2]" 1
1567 2 63 ALA HA 2 66 ASP HB2 . . 3.750 3.348 2.902 3.753 0.003 16 0 "[ . 1 . 2]" 1
1568 2 63 ALA HA 2 67 ARG H . . 4.880 4.589 4.205 4.793 . 0 0 "[ . 1 . 2]" 1
1569 2 63 ALA MB 2 64 ASP H . . 4.180 3.248 2.755 3.520 . 0 0 "[ . 1 . 2]" 1
1570 2 63 ALA MB 2 64 ASP HA . . 4.590 4.328 4.045 4.509 . 0 0 "[ . 1 . 2]" 1
1571 2 63 ALA MB 2 64 ASP HB2 . . 5.260 4.755 4.566 4.903 . 0 0 "[ . 1 . 2]" 1
1572 2 63 ALA MB 2 65 ALA H . . 5.210 4.836 4.640 5.027 . 0 0 "[ . 1 . 2]" 1
1573 2 63 ALA MB 2 66 ASP HB2 . . 5.030 4.811 4.296 5.115 0.085 16 0 "[ . 1 . 2]" 1
1574 2 63 ALA MB 2 67 ARG H . . 5.440 5.389 4.784 5.504 0.064 1 0 "[ . 1 . 2]" 1
1575 2 64 ASP H 2 64 ASP HB2 . . 3.040 2.506 2.350 2.654 . 0 0 "[ . 1 . 2]" 1
1576 2 64 ASP H 2 64 ASP HB3 . . 3.650 3.687 3.584 3.734 0.084 19 0 "[ . 1 . 2]" 1
1577 2 64 ASP H 2 65 ALA H . . 2.730 2.010 1.825 2.392 . 0 0 "[ . 1 . 2]" 1
1578 2 64 ASP H 2 66 ASP H . . 4.350 3.740 3.391 4.053 . 0 0 "[ . 1 . 2]" 1
1579 2 64 ASP H 2 67 ARG HG2 . . 5.480 4.938 4.113 5.705 0.225 19 0 "[ . 1 . 2]" 1
1580 2 64 ASP HA 2 67 ARG HB2 . . 4.860 2.806 2.277 3.130 . 0 0 "[ . 1 . 2]" 1
1581 2 64 ASP HA 2 68 ALA H . . 4.560 4.416 4.123 4.585 0.025 12 0 "[ . 1 . 2]" 1
1582 2 64 ASP HB2 2 65 ALA H . . 4.660 2.872 2.554 3.109 . 0 0 "[ . 1 . 2]" 1
1583 2 64 ASP HB3 2 65 ALA H . . 4.510 3.748 3.500 3.913 . 0 0 "[ . 1 . 2]" 1
1584 2 65 ALA H 2 65 ALA HA . . 2.890 2.833 2.803 2.864 . 0 0 "[ . 1 . 2]" 1
1585 2 65 ALA H 2 65 ALA MB . . 3.630 2.120 2.084 2.168 . 0 0 "[ . 1 . 2]" 1
1586 2 65 ALA H 2 66 ASP H . . 3.630 2.862 2.738 3.026 . 0 0 "[ . 1 . 2]" 1
1587 2 65 ALA H 2 67 ARG H . . 5.620 4.167 3.992 4.335 . 0 0 "[ . 1 . 2]" 1
1588 2 65 ALA HA 2 68 ALA H . . 4.490 3.541 3.401 3.709 . 0 0 "[ . 1 . 2]" 1
1589 2 65 ALA HA 2 68 ALA MB . . 4.050 3.001 2.797 3.190 . 0 0 "[ . 1 . 2]" 1
1590 2 65 ALA MB 2 66 ASP H . . 3.850 2.323 2.152 2.428 . 0 0 "[ . 1 . 2]" 1
1591 2 65 ALA MB 2 67 ARG H . . 4.870 4.432 4.177 4.657 . 0 0 "[ . 1 . 2]" 1
1592 2 65 ALA MB 2 68 ALA H . . 5.600 4.656 4.561 4.774 . 0 0 "[ . 1 . 2]" 1
1593 2 66 ASP H 2 66 ASP HA . . 2.920 2.843 2.786 2.881 . 0 0 "[ . 1 . 2]" 1
1594 2 66 ASP H 2 66 ASP HB2 . . 3.680 2.345 2.174 2.406 . 0 0 "[ . 1 . 2]" 1
1595 2 66 ASP H 2 67 ARG H . . 3.480 2.826 2.698 2.989 . 0 0 "[ . 1 . 2]" 1
1596 2 66 ASP H 2 68 ALA MB . . 5.030 5.056 4.979 5.105 0.075 1 0 "[ . 1 . 2]" 1
1597 2 66 ASP HA 2 66 ASP HB3 . . 2.790 2.651 2.556 3.004 0.214 7 0 "[ . 1 . 2]" 1
1598 2 66 ASP HA 2 68 ALA MB . . 5.620 4.783 4.561 5.052 . 0 0 "[ . 1 . 2]" 1
1599 2 66 ASP HA 2 69 ARG H . . 3.920 3.157 2.945 3.548 . 0 0 "[ . 1 . 2]" 1
1600 2 66 ASP HA 2 69 ARG HB2 . . 3.880 2.862 2.241 3.532 . 0 0 "[ . 1 . 2]" 1
1601 2 66 ASP HA 2 70 GLU H . . 5.200 3.960 3.832 4.352 . 0 0 "[ . 1 . 2]" 1
1602 2 66 ASP HB2 2 67 ARG H . . 3.600 3.223 2.761 3.696 0.096 12 0 "[ . 1 . 2]" 1
1603 2 66 ASP HB2 2 67 ARG HA . . 5.260 5.001 4.667 5.521 0.261 12 0 "[ . 1 . 2]" 1
1604 2 66 ASP HB3 2 67 ARG HA . . 5.500 4.475 3.881 4.826 . 0 0 "[ . 1 . 2]" 1
1605 2 66 ASP HB3 2 70 GLU H . . 5.500 4.861 4.575 5.551 0.051 15 0 "[ . 1 . 2]" 1
1606 2 67 ARG H 2 67 ARG HB2 . . 3.030 2.519 2.258 2.706 . 0 0 "[ . 1 . 2]" 1
1607 2 67 ARG H 2 67 ARG HB3 . . 3.520 3.603 3.545 3.644 0.124 16 0 "[ . 1 . 2]" 1
1608 2 67 ARG H 2 67 ARG HD2 . . 4.200 3.735 2.401 4.297 0.097 18 0 "[ . 1 . 2]" 1
1609 2 67 ARG H 2 67 ARG HD3 . . 4.540 4.136 3.043 4.598 0.058 5 0 "[ . 1 . 2]" 1
1610 2 67 ARG H 2 67 ARG HG2 . . 4.370 2.519 1.994 3.924 . 0 0 "[ . 1 . 2]" 1
1611 2 67 ARG H 2 67 ARG HG3 . . 4.600 3.655 1.910 4.195 . 0 0 "[ . 1 . 2]" 1
1612 2 67 ARG H 2 68 ALA H . . 3.490 2.687 2.480 2.854 . 0 0 "[ . 1 . 2]" 1
1613 2 67 ARG H 2 68 ALA MB . . 5.510 4.396 4.205 4.605 . 0 0 "[ . 1 . 2]" 1
1614 2 67 ARG H 2 69 ARG H . . 5.590 4.115 3.802 4.385 . 0 0 "[ . 1 . 2]" 1
1615 2 67 ARG HA 2 67 ARG HB3 . . 2.660 2.453 2.359 2.607 . 0 0 "[ . 1 . 2]" 1
1616 2 67 ARG HA 2 67 ARG HD2 . . 4.840 2.939 2.068 4.941 0.101 19 0 "[ . 1 . 2]" 1
1617 2 67 ARG HA 2 67 ARG HD3 . . 4.680 3.390 2.089 4.686 0.006 19 0 "[ . 1 . 2]" 1
1618 2 67 ARG HA 2 67 ARG HG2 . . 3.860 3.230 2.712 3.741 . 0 0 "[ . 1 . 2]" 1
1619 2 67 ARG HA 2 67 ARG HG3 . . 3.570 3.582 2.703 3.797 0.227 15 0 "[ . 1 . 2]" 1
1620 2 67 ARG HA 2 68 ALA MB . . 5.680 5.064 5.040 5.075 . 0 0 "[ . 1 . 2]" 1
1621 2 67 ARG HA 2 69 ARG H . . 5.690 4.521 4.292 4.646 . 0 0 "[ . 1 . 2]" 1
1622 2 67 ARG HA 2 70 GLU H . . 4.030 3.598 3.323 3.746 . 0 0 "[ . 1 . 2]" 1
1623 2 67 ARG HA 2 70 GLU HG3 . . 4.490 3.652 3.523 3.986 . 0 0 "[ . 1 . 2]" 1
1624 2 67 ARG HB2 2 67 ARG HD2 . . 4.290 3.798 2.751 4.261 . 0 0 "[ . 1 . 2]" 1
1625 2 67 ARG HB2 2 68 ALA H . . 3.630 2.757 2.510 2.874 . 0 0 "[ . 1 . 2]" 1
1626 2 67 ARG HB2 2 68 ALA MB . . 5.030 4.166 3.920 4.398 . 0 0 "[ . 1 . 2]" 1
1627 2 67 ARG HB3 2 67 ARG HD2 . . 4.270 3.363 2.583 3.800 . 0 0 "[ . 1 . 2]" 1
1628 2 67 ARG HB3 2 67 ARG HD3 . . 4.120 3.513 2.589 4.224 0.104 13 0 "[ . 1 . 2]" 1
1629 2 67 ARG HB3 2 68 ALA H . . 3.960 3.733 3.494 3.882 . 0 0 "[ . 1 . 2]" 1
1630 2 67 ARG HB3 2 68 ALA MB . . 5.480 4.910 4.725 5.157 . 0 0 "[ . 1 . 2]" 1
1631 2 67 ARG HD2 2 67 ARG HG2 . . 2.850 2.563 2.389 3.007 0.157 3 0 "[ . 1 . 2]" 1
1632 2 67 ARG HG2 2 68 ALA H . . 5.390 4.498 4.107 5.127 . 0 0 "[ . 1 . 2]" 1
1633 2 67 ARG HD3 2 67 ARG HG3 . . 2.740 2.560 2.423 2.990 0.250 3 0 "[ . 1 . 2]" 1
1634 2 68 ALA H 2 68 ALA MB . . 3.500 2.267 2.249 2.294 . 0 0 "[ . 1 . 2]" 1
1635 2 68 ALA H 2 69 ARG H . . 3.870 2.684 2.642 2.744 . 0 0 "[ . 1 . 2]" 1
1636 2 68 ALA H 2 71 LYS HG2 . . 5.500 5.583 5.516 5.608 0.108 17 0 "[ . 1 . 2]" 1
1637 2 68 ALA HA 2 69 ARG HA . . 5.950 4.822 4.742 4.907 . 0 0 "[ . 1 . 2]" 1
1638 2 68 ALA HA 2 71 LYS H . . 5.040 3.630 3.542 3.808 . 0 0 "[ . 1 . 2]" 1
1639 2 68 ALA HA 2 71 LYS HB2 . . 3.750 2.750 2.599 3.035 . 0 0 "[ . 1 . 2]" 1
1640 2 68 ALA HA 2 72 LEU H . . 4.250 3.814 3.671 3.926 . 0 0 "[ . 1 . 2]" 1
1641 2 68 ALA HA 2 72 LEU MD1 . . 4.870 4.038 3.401 4.632 . 0 0 "[ . 1 . 2]" 1
1642 2 68 ALA HA 2 72 LEU MD2 . . 4.460 2.880 2.492 3.582 . 0 0 "[ . 1 . 2]" 1
1643 2 68 ALA MB 2 69 ARG H . . 3.880 2.519 2.461 2.629 . 0 0 "[ . 1 . 2]" 1
1644 2 68 ALA MB 2 69 ARG HA . . 4.880 3.826 3.761 3.902 . 0 0 "[ . 1 . 2]" 1
1645 2 68 ALA MB 2 71 LYS HB2 . . 4.460 4.219 4.046 4.480 0.020 18 0 "[ . 1 . 2]" 1
1646 2 68 ALA MB 2 72 LEU MD1 . . 4.920 4.213 3.843 4.694 . 0 0 "[ . 1 . 2]" 1
1647 2 68 ALA MB 2 72 LEU MD2 . . 3.980 2.323 2.126 2.584 . 0 0 "[ . 1 . 2]" 1
1648 2 68 ALA MB 2 73 HIS H . . 5.500 5.631 5.587 5.680 0.180 2 0 "[ . 1 . 2]" 1
1649 2 69 ARG H 2 69 ARG HB2 . . 3.470 2.324 2.216 2.717 . 0 0 "[ . 1 . 2]" 1
1650 2 69 ARG H 2 69 ARG HB3 . . 3.910 2.734 2.368 3.689 . 0 0 "[ . 1 . 2]" 1
1651 2 69 ARG H 2 69 ARG HD2 . . 4.790 4.683 4.427 4.882 0.092 15 0 "[ . 1 . 2]" 1
1652 2 69 ARG H 2 69 ARG HG2 . . 4.260 4.214 3.086 4.419 0.159 6 0 "[ . 1 . 2]" 1
1653 2 69 ARG H 2 69 ARG HG3 . . 4.220 3.906 2.300 4.328 0.108 12 0 "[ . 1 . 2]" 1
1654 2 69 ARG H 2 70 GLU H . . 3.630 2.984 2.943 3.019 . 0 0 "[ . 1 . 2]" 1
1655 2 69 ARG H 2 70 GLU HB3 . . 5.350 5.372 5.320 5.398 0.048 10 0 "[ . 1 . 2]" 1
1656 2 69 ARG H 2 70 GLU HG2 . . 5.420 4.581 4.460 4.895 . 0 0 "[ . 1 . 2]" 1
1657 2 69 ARG H 2 70 GLU HG3 . . 5.810 5.871 5.843 5.910 0.100 18 0 "[ . 1 . 2]" 1
1658 2 69 ARG H 2 72 LEU MD2 . . 5.340 4.767 4.318 5.349 0.009 15 0 "[ . 1 . 2]" 1
1659 2 69 ARG H 2 84 VAL MG1 . . 4.610 3.778 3.583 3.927 . 0 0 "[ . 1 . 2]" 1
1660 2 69 ARG H 2 84 VAL MG2 . . 5.370 5.259 5.009 5.395 0.025 10 0 "[ . 1 . 2]" 1
1661 2 69 ARG HA 2 69 ARG HD2 . . 5.100 4.478 4.092 4.999 . 0 0 "[ . 1 . 2]" 1
1662 2 69 ARG HA 2 72 LEU H . . 4.790 3.714 3.429 3.945 . 0 0 "[ . 1 . 2]" 1
1663 2 69 ARG HA 2 72 LEU MD1 . . 5.500 5.627 5.530 5.749 0.249 8 0 "[ . 1 . 2]" 1
1664 2 69 ARG HA 2 72 LEU MD2 . . 4.810 4.374 3.915 4.828 0.018 1 0 "[ . 1 . 2]" 1
1665 2 69 ARG HA 2 73 HIS H . . 4.330 3.257 2.961 3.556 . 0 0 "[ . 1 . 2]" 1
1666 2 69 ARG HA 2 73 HIS HB2 . . 4.990 3.533 3.145 3.777 . 0 0 "[ . 1 . 2]" 1
1667 2 69 ARG HA 2 84 VAL H . . 5.580 5.415 5.151 5.623 0.043 10 0 "[ . 1 . 2]" 1
1668 2 69 ARG HA 2 84 VAL HB . . 3.870 2.488 2.140 2.690 . 0 0 "[ . 1 . 2]" 1
1669 2 69 ARG HA 2 84 VAL MG1 . . 3.840 2.209 2.055 2.464 . 0 0 "[ . 1 . 2]" 1
1670 2 69 ARG HA 2 84 VAL MG2 . . 4.380 3.144 2.929 3.289 . 0 0 "[ . 1 . 2]" 1
1671 2 69 ARG HB2 2 69 ARG HD2 . . 3.520 2.710 2.373 3.636 0.116 20 0 "[ . 1 . 2]" 1
1672 2 69 ARG HB2 2 70 GLU H . . 3.790 3.593 2.498 3.879 0.089 17 0 "[ . 1 . 2]" 1
1673 2 69 ARG HB2 2 84 VAL MG1 . . 4.340 3.204 2.669 4.349 0.009 19 0 "[ . 1 . 2]" 1
1674 2 69 ARG HB3 2 84 VAL MG1 . . 4.540 4.038 3.517 4.244 . 0 0 "[ . 1 . 2]" 1
1675 2 69 ARG HD2 2 84 VAL HB . . 5.500 4.988 3.956 5.519 0.019 4 0 "[ . 1 . 2]" 1
1676 2 69 ARG HD2 2 84 VAL MG1 . . 4.850 3.697 3.323 4.122 . 0 0 "[ . 1 . 2]" 1
1677 2 69 ARG HD2 2 85 ASN HA . . 4.860 3.505 2.539 4.173 . 0 0 "[ . 1 . 2]" 1
1678 2 69 ARG HE 2 85 ASN HA . . 5.140 2.516 2.202 5.153 0.013 15 0 "[ . 1 . 2]" 1
1679 2 69 ARG HG3 2 70 GLU H . . 5.310 4.721 4.304 4.900 . 0 0 "[ . 1 . 2]" 1
1680 2 69 ARG HG3 2 84 VAL HB . . 4.590 2.938 2.189 4.680 0.090 15 0 "[ . 1 . 2]" 1
1681 2 69 ARG HG3 2 84 VAL MG1 . . 4.640 2.471 2.190 3.537 . 0 0 "[ . 1 . 2]" 1
1682 2 70 GLU H 2 70 GLU HA . . 2.850 2.860 2.851 2.866 0.016 10 0 "[ . 1 . 2]" 1
1683 2 70 GLU H 2 70 GLU HB2 . . 3.680 3.620 3.598 3.643 . 0 0 "[ . 1 . 2]" 1
1684 2 70 GLU H 2 70 GLU HB3 . . 2.520 2.486 2.464 2.523 0.003 19 0 "[ . 1 . 2]" 1
1685 2 70 GLU H 2 70 GLU HG2 . . 3.040 2.319 2.233 2.552 . 0 0 "[ . 1 . 2]" 1
1686 2 70 GLU H 2 70 GLU HG3 . . 3.300 3.421 3.385 3.452 0.152 7 0 "[ . 1 . 2]" 1
1687 2 70 GLU H 2 84 VAL MG1 . . 5.410 5.251 5.082 5.432 0.022 19 0 "[ . 1 . 2]" 1
1688 2 70 GLU HA 2 70 GLU HB2 . . 2.920 2.368 2.324 2.389 . 0 0 "[ . 1 . 2]" 1
1689 2 70 GLU HA 2 70 GLU HB3 . . 2.600 2.480 2.457 2.501 . 0 0 "[ . 1 . 2]" 1
1690 2 70 GLU HA 2 70 GLU HG2 . . 4.070 3.828 3.769 3.951 . 0 0 "[ . 1 . 2]" 1
1691 2 70 GLU HA 2 70 GLU HG3 . . 3.700 3.687 3.651 3.714 0.014 2 0 "[ . 1 . 2]" 1
1692 2 70 GLU HA 2 71 LYS H . . 3.510 3.519 3.479 3.559 0.049 18 0 "[ . 1 . 2]" 1
1693 2 70 GLU HA 2 72 LEU H . . 5.500 4.945 4.848 5.101 . 0 0 "[ . 1 . 2]" 1
1694 2 70 GLU HA 2 73 HIS H . . 4.330 4.193 4.048 4.313 . 0 0 "[ . 1 . 2]" 1
1695 2 70 GLU HB3 2 70 GLU HG2 . . 2.770 2.483 2.419 2.520 . 0 0 "[ . 1 . 2]" 1
1696 2 70 GLU HG2 2 71 LYS HA . . 5.280 4.897 4.796 5.015 . 0 0 "[ . 1 . 2]" 1
1697 2 70 GLU HG2 2 71 LYS HG2 . . 5.000 3.000 2.747 3.140 . 0 0 "[ . 1 . 2]" 1
1698 2 70 GLU HG2 2 71 LYS HG3 . . 4.160 4.308 4.290 4.363 0.203 18 0 "[ . 1 . 2]" 1
1699 2 70 GLU HG3 2 71 LYS H . . 4.430 2.704 2.379 2.939 . 0 0 "[ . 1 . 2]" 1
1700 2 70 GLU HG3 2 71 LYS HA . . 3.840 3.610 3.504 3.745 . 0 0 "[ . 1 . 2]" 1
1701 2 71 LYS H 2 71 LYS HB2 . . 3.290 2.358 2.324 2.426 . 0 0 "[ . 1 . 2]" 1
1702 2 71 LYS H 2 71 LYS HD3 . . 4.690 4.334 3.464 4.806 0.116 11 0 "[ . 1 . 2]" 1
1703 2 71 LYS H 2 71 LYS HE2 . . 5.500 4.905 4.331 5.561 0.061 16 0 "[ . 1 . 2]" 1
1704 2 71 LYS H 2 71 LYS HE3 . . 5.380 5.042 3.727 5.551 0.171 18 0 "[ . 1 . 2]" 1
1705 2 71 LYS H 2 71 LYS HG2 . . 4.000 2.391 2.195 2.469 . 0 0 "[ . 1 . 2]" 1
1706 2 71 LYS H 2 71 LYS HG3 . . 4.030 3.458 3.197 3.587 . 0 0 "[ . 1 . 2]" 1
1707 2 71 LYS H 2 72 LEU H . . 3.450 2.710 2.629 2.864 . 0 0 "[ . 1 . 2]" 1
1708 2 71 LYS H 2 72 LEU MD1 . . 5.230 4.496 4.139 4.847 . 0 0 "[ . 1 . 2]" 1
1709 2 71 LYS H 2 72 LEU MD2 . . 5.320 4.483 3.808 5.269 . 0 0 "[ . 1 . 2]" 1
1710 2 71 LYS H 2 73 HIS H . . 5.580 4.094 3.922 4.277 . 0 0 "[ . 1 . 2]" 1
1711 2 71 LYS HA 2 71 LYS HB3 . . 2.910 2.514 2.486 2.537 . 0 0 "[ . 1 . 2]" 1
1712 2 71 LYS HA 2 71 LYS HD3 . . 4.580 2.643 2.202 3.778 . 0 0 "[ . 1 . 2]" 1
1713 2 71 LYS HA 2 71 LYS HE2 . . 5.120 3.876 1.950 4.726 . 0 0 "[ . 1 . 2]" 1
1714 2 71 LYS HA 2 71 LYS HG2 . . 3.770 2.850 2.761 3.121 . 0 0 "[ . 1 . 2]" 1
1715 2 71 LYS HA 2 71 LYS HG3 . . 3.690 3.756 3.736 3.790 0.100 2 0 "[ . 1 . 2]" 1
1716 2 71 LYS HB2 2 71 LYS HG2 . . 2.950 2.599 2.475 2.692 . 0 0 "[ . 1 . 2]" 1
1717 2 71 LYS HB2 2 72 LEU H . . 3.710 2.595 2.482 2.711 . 0 0 "[ . 1 . 2]" 1
1718 2 71 LYS HB2 2 72 LEU MD2 . . 5.410 3.175 2.305 4.090 . 0 0 "[ . 1 . 2]" 1
1719 2 71 LYS HD3 2 71 LYS HE2 . . 3.010 2.485 2.304 3.025 0.015 18 0 "[ . 1 . 2]" 1
1720 2 71 LYS HE2 2 71 LYS HG2 . . 4.270 2.847 2.440 3.689 . 0 0 "[ . 1 . 2]" 1
1721 2 71 LYS HE3 2 71 LYS HG2 . . 3.970 2.972 2.294 3.804 . 0 0 "[ . 1 . 2]" 1
1722 2 71 LYS HG2 2 72 LEU MD1 . . 5.330 5.059 4.677 5.370 0.040 2 0 "[ . 1 . 2]" 1
1723 2 71 LYS HG3 2 72 LEU H . . 5.440 4.858 4.651 5.057 . 0 0 "[ . 1 . 2]" 1
1724 2 71 LYS HG3 2 72 LEU MD1 . . 5.390 4.593 4.230 4.944 . 0 0 "[ . 1 . 2]" 1
1725 2 72 LEU H 2 72 LEU HB2 . . 3.760 2.242 2.135 2.340 . 0 0 "[ . 1 . 2]" 1
1726 2 72 LEU H 2 72 LEU HB3 . . 3.760 3.512 3.451 3.563 . 0 0 "[ . 1 . 2]" 1
1727 2 72 LEU H 2 72 LEU HG . . 4.100 4.215 4.174 4.252 0.152 9 0 "[ . 1 . 2]" 1
1728 2 72 LEU H 2 72 LEU MD1 . . 4.580 2.784 2.547 3.080 . 0 0 "[ . 1 . 2]" 1
1729 2 72 LEU H 2 72 LEU MD2 . . 4.240 2.894 2.425 3.467 . 0 0 "[ . 1 . 2]" 1
1730 2 72 LEU H 2 82 ILE MD . . 5.350 5.387 5.309 5.450 0.100 17 0 "[ . 1 . 2]" 1
1731 2 72 LEU HA 2 72 LEU MD1 . . 3.540 2.090 2.023 2.183 . 0 0 "[ . 1 . 2]" 1
1732 2 72 LEU HA 2 72 LEU MD2 . . 4.370 3.701 3.512 3.851 . 0 0 "[ . 1 . 2]" 1
1733 2 72 LEU HA 2 75 THR H . . 5.480 3.822 3.542 4.092 . 0 0 "[ . 1 . 2]" 1
1734 2 72 LEU HA 2 75 THR HG1 . . 4.650 3.846 2.342 4.565 . 0 0 "[ . 1 . 2]" 1
1735 2 72 LEU HA 2 75 THR MG . . 3.770 2.599 2.143 3.782 0.012 1 0 "[ . 1 . 2]" 1
1736 2 72 LEU HA 2 84 VAL MG2 . . 4.970 4.025 3.933 4.121 . 0 0 "[ . 1 . 2]" 1
1737 2 72 LEU HB2 2 72 LEU MD1 . . 3.510 3.014 2.787 3.184 . 0 0 "[ . 1 . 2]" 1
1738 2 72 LEU HB2 2 72 LEU MD2 . . 3.290 2.212 2.191 2.228 . 0 0 "[ . 1 . 2]" 1
1739 2 72 LEU HB2 2 73 HIS H . . 4.610 3.076 2.897 3.233 . 0 0 "[ . 1 . 2]" 1
1740 2 72 LEU HB2 2 82 ILE MD . . 4.540 3.990 3.858 4.126 . 0 0 "[ . 1 . 2]" 1
1741 2 72 LEU HB3 2 72 LEU MD2 . . 3.380 2.879 2.591 3.138 . 0 0 "[ . 1 . 2]" 1
1742 2 72 LEU HB3 2 73 HIS H . . 5.250 3.747 3.668 3.845 . 0 0 "[ . 1 . 2]" 1
1743 2 72 LEU HB3 2 82 ILE MD . . 5.220 2.446 2.342 2.611 . 0 0 "[ . 1 . 2]" 1
1744 2 72 LEU HG 2 73 HIS H . . 5.500 5.459 5.388 5.517 0.017 19 0 "[ . 1 . 2]" 1
1745 2 72 LEU HG 2 84 VAL MG2 . . 4.340 3.989 3.730 4.236 . 0 0 "[ . 1 . 2]" 1
1746 2 72 LEU MD1 2 73 HIS H . . 5.130 4.545 4.459 4.635 . 0 0 "[ . 1 . 2]" 1
1747 2 72 LEU MD1 2 75 THR HB . . 5.480 3.788 3.144 4.278 . 0 0 "[ . 1 . 2]" 1
1748 2 72 LEU MD1 2 75 THR HG1 . . 5.350 3.939 3.508 4.309 . 0 0 "[ . 1 . 2]" 1
1749 2 72 LEU MD1 2 75 THR MG . . 3.950 2.672 2.254 3.727 . 0 0 "[ . 1 . 2]" 1
1750 2 72 LEU MD2 2 73 HIS H . . 5.380 4.599 4.329 4.920 . 0 0 "[ . 1 . 2]" 1
1751 2 72 LEU MD2 2 75 THR MG . . 4.800 4.512 4.072 4.839 0.039 9 0 "[ . 1 . 2]" 1
1752 2 72 LEU MD2 2 82 ILE MD . . 4.850 4.134 3.598 4.846 . 0 0 "[ . 1 . 2]" 1
1753 2 72 LEU MD2 2 84 VAL MG1 . . 4.920 3.810 3.668 3.983 . 0 0 "[ . 1 . 2]" 1
1754 2 72 LEU MD2 2 84 VAL MG2 . . 4.580 3.474 3.336 3.657 . 0 0 "[ . 1 . 2]" 1
1755 2 73 HIS H 2 73 HIS HB2 . . 3.350 2.526 2.425 2.560 . 0 0 "[ . 1 . 2]" 1
1756 2 73 HIS H 2 73 HIS HB3 . . 3.690 2.659 2.633 2.679 . 0 0 "[ . 1 . 2]" 1
1757 2 73 HIS H 2 73 HIS HD2 . . 5.500 5.184 5.140 5.252 . 0 0 "[ . 1 . 2]" 1
1758 2 73 HIS H 2 84 VAL HB . . 4.610 3.200 3.093 3.413 . 0 0 "[ . 1 . 2]" 1
1759 2 73 HIS H 2 84 VAL MG1 . . 4.930 4.101 3.970 4.345 . 0 0 "[ . 1 . 2]" 1
1760 2 73 HIS H 2 84 VAL MG2 . . 3.950 2.859 2.704 2.966 . 0 0 "[ . 1 . 2]" 1
1761 2 73 HIS HA 2 73 HIS HD2 . . 5.180 4.432 4.211 4.781 . 0 0 "[ . 1 . 2]" 1
1762 2 73 HIS HA 2 74 GLY H . . 3.400 2.148 2.106 2.170 . 0 0 "[ . 1 . 2]" 1
1763 2 73 HIS HA 2 74 GLY HA3 . . 4.890 4.474 4.445 4.495 . 0 0 "[ . 1 . 2]" 1
1764 2 73 HIS HA 2 75 THR H . . 4.940 3.666 3.544 3.787 . 0 0 "[ . 1 . 2]" 1
1765 2 73 HIS HA 2 82 ILE MD . . 4.910 4.486 3.532 4.908 . 0 0 "[ . 1 . 2]" 1
1766 2 73 HIS HA 2 83 GLU HA . . 4.450 3.045 2.854 3.438 . 0 0 "[ . 1 . 2]" 1
1767 2 73 HIS HA 2 84 VAL H . . 4.150 3.065 2.876 3.173 . 0 0 "[ . 1 . 2]" 1
1768 2 73 HIS HA 2 84 VAL HB . . 5.570 3.437 3.183 3.888 . 0 0 "[ . 1 . 2]" 1
1769 2 73 HIS HA 2 84 VAL MG1 . . 5.500 4.718 4.551 4.936 . 0 0 "[ . 1 . 2]" 1
1770 2 73 HIS HA 2 84 VAL MG2 . . 4.030 2.287 2.166 2.367 . 0 0 "[ . 1 . 2]" 1
1771 2 73 HIS HB2 2 74 GLY H . . 4.600 4.385 4.309 4.492 . 0 0 "[ . 1 . 2]" 1
1772 2 73 HIS HB2 2 84 VAL HB . . 5.060 2.241 2.115 2.537 . 0 0 "[ . 1 . 2]" 1
1773 2 73 HIS HB2 2 84 VAL MG1 . . 4.340 3.929 3.758 4.210 . 0 0 "[ . 1 . 2]" 1
1774 2 73 HIS HB2 2 84 VAL MG2 . . 4.190 3.073 2.860 3.165 . 0 0 "[ . 1 . 2]" 1
1775 2 73 HIS HB3 2 84 VAL H . . 4.420 4.410 4.341 4.448 0.028 17 0 "[ . 1 . 2]" 1
1776 2 73 HIS HB3 2 84 VAL HB . . 5.110 3.916 3.821 4.182 . 0 0 "[ . 1 . 2]" 1
1777 2 73 HIS HB3 2 84 VAL MG2 . . 4.210 4.215 4.054 4.273 0.063 11 0 "[ . 1 . 2]" 1
1778 2 73 HIS HE1 2 83 GLU HA . . 3.660 3.026 2.834 3.203 . 0 0 "[ . 1 . 2]" 1
1779 2 73 HIS HE1 2 83 GLU HB2 . . 4.650 4.294 4.153 4.564 . 0 0 "[ . 1 . 2]" 1
1780 2 73 HIS HE1 2 83 GLU HB3 . . 5.110 2.568 2.404 2.876 . 0 0 "[ . 1 . 2]" 1
1781 2 73 HIS HE1 2 84 VAL H . . 4.580 3.320 3.171 3.409 . 0 0 "[ . 1 . 2]" 1
1782 2 73 HIS HE1 2 84 VAL MG2 . . 5.500 5.569 5.530 5.599 0.099 5 0 "[ . 1 . 2]" 1
1783 2 74 GLY H 2 75 THR H . . 3.580 2.594 2.494 2.687 . 0 0 "[ . 1 . 2]" 1
1784 2 74 GLY H 2 81 LYS HG3 . . 4.300 4.213 3.856 4.384 0.084 18 0 "[ . 1 . 2]" 1
1785 2 74 GLY H 2 82 ILE MD . . 5.300 4.674 3.102 5.081 . 0 0 "[ . 1 . 2]" 1
1786 2 74 GLY H 2 83 GLU HA . . 4.480 3.144 2.872 3.329 . 0 0 "[ . 1 . 2]" 1
1787 2 74 GLY H 2 84 VAL H . . 4.670 4.438 4.196 4.678 0.008 13 0 "[ . 1 . 2]" 1
1788 2 74 GLY HA2 2 75 THR H . . 4.430 3.221 3.149 3.377 . 0 0 "[ . 1 . 2]" 1
1789 2 74 GLY HA2 2 81 LYS HD3 . . 5.290 3.869 2.422 4.285 . 0 0 "[ . 1 . 2]" 1
1790 2 74 GLY HA2 2 81 LYS HE3 . . 4.750 3.469 2.265 4.440 . 0 0 "[ . 1 . 2]" 1
1791 2 74 GLY HA2 2 81 LYS HG2 . . 4.220 2.695 2.466 2.942 . 0 0 "[ . 1 . 2]" 1
1792 2 74 GLY HA2 2 81 LYS HG3 . . 4.440 2.672 2.243 2.962 . 0 0 "[ . 1 . 2]" 1
1793 2 74 GLY HA3 2 75 THR H . . 4.320 3.470 3.384 3.513 . 0 0 "[ . 1 . 2]" 1
1794 2 74 GLY HA3 2 81 LYS HD3 . . 5.300 4.939 3.506 5.358 0.058 2 0 "[ . 1 . 2]" 1
1795 2 74 GLY HA3 2 81 LYS HE3 . . 5.160 4.311 2.709 5.248 0.088 14 0 "[ . 1 . 2]" 1
1796 2 74 GLY HA3 2 81 LYS HG2 . . 5.500 4.380 4.138 4.641 . 0 0 "[ . 1 . 2]" 1
1797 2 75 THR H 2 75 THR HG1 . . 4.740 4.349 2.452 4.719 . 0 0 "[ . 1 . 2]" 1
1798 2 75 THR H 2 75 THR MG . . 3.680 2.891 2.532 3.750 0.070 1 0 "[ . 1 . 2]" 1
1799 2 75 THR H 2 76 VAL H . . 5.100 4.584 4.522 4.620 . 0 0 "[ . 1 . 2]" 1
1800 2 75 THR H 2 81 LYS HA . . 4.670 4.755 4.722 4.789 0.119 18 0 "[ . 1 . 2]" 1
1801 2 75 THR H 2 81 LYS HG3 . . 4.870 3.903 3.641 4.263 . 0 0 "[ . 1 . 2]" 1
1802 2 75 THR H 2 82 ILE H . . 4.810 3.678 3.527 4.013 . 0 0 "[ . 1 . 2]" 1
1803 2 75 THR H 2 82 ILE MD . . 4.820 3.925 2.633 4.396 . 0 0 "[ . 1 . 2]" 1
1804 2 75 THR HA 2 75 THR MG . . 3.220 3.071 2.509 3.240 0.020 2 0 "[ . 1 . 2]" 1
1805 2 75 THR HA 2 76 VAL MG1 . . 4.080 3.159 2.934 3.538 . 0 0 "[ . 1 . 2]" 1
1806 2 75 THR HA 2 81 LYS HG3 . . 4.970 4.012 3.630 4.729 . 0 0 "[ . 1 . 2]" 1
1807 2 75 THR HB 2 76 VAL MG1 . . 5.500 5.214 4.989 5.520 0.020 15 0 "[ . 1 . 2]" 1
1808 2 75 THR HB 2 82 ILE MD . . 4.830 4.226 2.305 4.840 0.010 7 0 "[ . 1 . 2]" 1
1809 2 75 THR HG1 2 82 ILE MD . . 5.700 5.251 4.043 5.711 0.011 19 0 "[ . 1 . 2]" 1
1810 2 75 THR MG 2 76 VAL H . . 3.820 2.836 2.104 3.229 . 0 0 "[ . 1 . 2]" 1
1811 2 75 THR MG 2 77 VAL H . . 4.950 4.471 4.039 4.963 0.013 8 0 "[ . 1 . 2]" 1
1812 2 75 THR MG 2 77 VAL HB . . 4.260 3.979 3.385 4.397 0.137 4 0 "[ . 1 . 2]" 1
1813 2 75 THR MG 2 82 ILE MD . . 4.240 2.603 2.084 3.865 . 0 0 "[ . 1 . 2]" 1
1814 2 76 VAL H 2 76 VAL HB . . 3.460 3.684 3.583 3.758 0.298 16 0 "[ . 1 . 2]" 1
1815 2 76 VAL H 2 76 VAL MG1 . . 3.920 2.257 2.053 2.367 . 0 0 "[ . 1 . 2]" 1
1816 2 76 VAL H 2 76 VAL MG2 . . 4.320 3.186 2.724 3.667 . 0 0 "[ . 1 . 2]" 1
1817 2 76 VAL H 2 77 VAL H . . 4.930 4.459 4.354 4.510 . 0 0 "[ . 1 . 2]" 1
1818 2 76 VAL H 2 82 ILE MD . . 5.330 5.306 4.757 5.397 0.067 18 0 "[ . 1 . 2]" 1
1819 2 76 VAL HA 2 76 VAL MG2 . . 3.420 3.037 2.755 3.198 . 0 0 "[ . 1 . 2]" 1
1820 2 76 VAL HA 2 77 VAL H . . 2.900 2.094 2.021 2.151 . 0 0 "[ . 1 . 2]" 1
1821 2 76 VAL HA 2 77 VAL MG2 . . 5.140 4.751 3.773 5.209 0.069 19 0 "[ . 1 . 2]" 1
1822 2 76 VAL HA 2 80 ARG H . . 4.740 4.388 4.036 4.745 0.005 8 0 "[ . 1 . 2]" 1
1823 2 76 VAL HB 2 77 VAL H . . 5.290 3.180 2.774 3.623 . 0 0 "[ . 1 . 2]" 1
1824 2 76 VAL HB 2 79 GLY H . . 5.520 4.697 4.308 5.054 . 0 0 "[ . 1 . 2]" 1
1825 2 76 VAL MG1 2 77 VAL H . . 4.430 4.309 4.139 4.461 0.031 15 0 "[ . 1 . 2]" 1
1826 2 76 VAL MG1 2 79 GLY HA2 . . 4.850 4.862 4.799 4.895 0.045 2 0 "[ . 1 . 2]" 1
1827 2 76 VAL MG1 2 81 LYS H . . 4.970 4.100 3.590 4.543 . 0 0 "[ . 1 . 2]" 1
1828 2 76 VAL MG1 2 81 LYS HB2 . . 5.150 2.565 2.164 2.824 . 0 0 "[ . 1 . 2]" 1
1829 2 76 VAL MG1 2 81 LYS HB3 . . 4.200 4.041 3.594 4.310 0.110 2 0 "[ . 1 . 2]" 1
1830 2 76 VAL MG1 2 81 LYS HD3 . . 4.940 4.075 2.942 4.948 0.008 14 0 "[ . 1 . 2]" 1
1831 2 76 VAL MG2 2 77 VAL H . . 3.970 2.957 2.600 3.602 . 0 0 "[ . 1 . 2]" 1
1832 2 76 VAL MG2 2 77 VAL HA . . 4.840 3.669 3.567 3.836 . 0 0 "[ . 1 . 2]" 1
1833 2 76 VAL MG2 2 79 GLY H . . 3.730 2.623 2.458 2.853 . 0 0 "[ . 1 . 2]" 1
1834 2 76 VAL MG2 2 79 GLY HA2 . . 3.920 2.656 2.452 2.864 . 0 0 "[ . 1 . 2]" 1
1835 2 76 VAL MG2 2 79 GLY HA3 . . 4.210 3.985 3.752 4.238 0.028 16 0 "[ . 1 . 2]" 1
1836 2 76 VAL MG2 2 80 ARG H . . 4.210 3.303 2.752 3.947 . 0 0 "[ . 1 . 2]" 1
1837 2 76 VAL MG2 2 81 LYS H . . 5.070 4.390 3.818 4.708 . 0 0 "[ . 1 . 2]" 1
1838 2 76 VAL MG2 2 81 LYS HB2 . . 5.400 4.244 3.801 4.396 . 0 0 "[ . 1 . 2]" 1
1839 2 76 VAL MG2 2 81 LYS HB3 . . 5.500 5.475 4.890 5.620 0.120 19 0 "[ . 1 . 2]" 1
1840 2 77 VAL H 2 77 VAL HB . . 3.570 3.325 2.999 3.794 0.224 15 0 "[ . 1 . 2]" 1
1841 2 77 VAL H 2 78 GLU H . . 5.300 4.327 4.273 4.406 . 0 0 "[ . 1 . 2]" 1
1842 2 77 VAL H 2 79 GLY H . . 5.180 3.706 3.282 4.253 . 0 0 "[ . 1 . 2]" 1
1843 2 77 VAL H 2 79 GLY HA2 . . 5.500 5.056 4.884 5.287 . 0 0 "[ . 1 . 2]" 1
1844 2 77 VAL H 2 80 ARG H . . 3.980 2.922 2.641 3.236 . 0 0 "[ . 1 . 2]" 1
1845 2 77 VAL H 2 81 LYS H . . 5.540 4.739 4.646 5.013 . 0 0 "[ . 1 . 2]" 1
1846 2 77 VAL H 2 81 LYS HA . . 4.220 3.707 3.607 3.815 . 0 0 "[ . 1 . 2]" 1
1847 2 77 VAL H 2 82 ILE H . . 5.530 4.392 3.845 4.748 . 0 0 "[ . 1 . 2]" 1
1848 2 77 VAL H 2 82 ILE MG . . 4.910 3.206 2.958 3.525 . 0 0 "[ . 1 . 2]" 1
1849 2 77 VAL HA 2 77 VAL MG2 . . 3.240 2.616 2.229 3.251 0.011 11 0 "[ . 1 . 2]" 1
1850 2 77 VAL HA 2 78 GLU H . . 3.770 2.176 2.136 2.270 . 0 0 "[ . 1 . 2]" 1
1851 2 77 VAL HA 2 78 GLU HA . . 4.510 4.283 4.233 4.336 . 0 0 "[ . 1 . 2]" 1
1852 2 77 VAL HA 2 78 GLU HG3 . . 4.810 4.407 4.292 4.527 . 0 0 "[ . 1 . 2]" 1
1853 2 77 VAL HB 2 78 GLU H . . 5.660 3.945 3.147 4.371 . 0 0 "[ . 1 . 2]" 1
1854 2 77 VAL HB 2 82 ILE MD . . 5.200 3.672 3.018 4.925 . 0 0 "[ . 1 . 2]" 1
1855 2 77 VAL MG2 2 78 GLU H . . 4.710 3.102 2.676 3.740 . 0 0 "[ . 1 . 2]" 1
1856 2 77 VAL MG2 2 78 GLU HA . . 4.890 4.608 4.301 4.971 0.081 10 0 "[ . 1 . 2]" 1
1857 2 77 VAL MG2 2 78 GLU HG3 . . 4.190 2.904 2.487 3.601 . 0 0 "[ . 1 . 2]" 1
1858 2 77 VAL MG2 2 80 ARG H . . 4.980 4.555 3.672 5.032 0.052 9 0 "[ . 1 . 2]" 1
1859 2 77 VAL MG2 2 82 ILE MD . . 3.750 3.564 2.864 3.812 0.062 16 0 "[ . 1 . 2]" 1
1860 2 78 GLU H 2 78 GLU HB2 . . 4.000 3.531 3.463 3.606 . 0 0 "[ . 1 . 2]" 1
1861 2 78 GLU H 2 78 GLU HB3 . . 3.830 3.920 3.908 3.938 0.108 10 0 "[ . 1 . 2]" 1
1862 2 78 GLU H 2 78 GLU HG3 . . 4.180 2.873 2.769 2.985 . 0 0 "[ . 1 . 2]" 1
1863 2 78 GLU H 2 79 GLY H . . 4.650 2.965 2.868 3.248 . 0 0 "[ . 1 . 2]" 1
1864 2 78 GLU H 2 80 ARG H . . 5.330 4.555 4.409 4.938 . 0 0 "[ . 1 . 2]" 1
1865 2 78 GLU HA 2 78 GLU HG3 . . 3.650 3.299 3.225 3.394 . 0 0 "[ . 1 . 2]" 1
1866 2 78 GLU HA 2 79 GLY H . . 4.040 2.852 2.604 3.346 . 0 0 "[ . 1 . 2]" 1
1867 2 78 GLU HA 2 79 GLY HA2 . . 4.960 4.641 4.572 4.745 . 0 0 "[ . 1 . 2]" 1
1868 2 78 GLU HA 2 79 GLY HA3 . . 4.740 4.468 4.346 4.735 . 0 0 "[ . 1 . 2]" 1
1869 2 78 GLU HA 2 80 ARG H . . 5.680 4.691 4.461 5.141 . 0 0 "[ . 1 . 2]" 1
1870 2 78 GLU HB2 2 79 GLY H . . 5.350 4.182 3.632 4.400 . 0 0 "[ . 1 . 2]" 1
1871 2 78 GLU HB2 2 80 ARG H . . 5.500 4.183 3.996 4.577 . 0 0 "[ . 1 . 2]" 1
1872 2 78 GLU HB3 2 79 GLY H . . 4.290 4.395 4.293 4.421 0.131 7 0 "[ . 1 . 2]" 1
1873 2 78 GLU HG3 2 79 GLY H . . 5.230 5.092 4.870 5.216 . 0 0 "[ . 1 . 2]" 1
1874 2 79 GLY H 2 80 ARG H . . 4.390 2.647 2.031 2.937 . 0 0 "[ . 1 . 2]" 1
1875 2 79 GLY HA3 2 80 ARG H . . 4.500 3.353 3.248 3.484 . 0 0 "[ . 1 . 2]" 1
1876 2 80 ARG H 2 80 ARG HB2 . . 4.110 2.597 2.195 3.964 . 0 0 "[ . 1 . 2]" 1
1877 2 80 ARG H 2 80 ARG HB3 . . 3.240 3.366 2.609 3.534 0.294 9 0 "[ . 1 . 2]" 1
1878 2 80 ARG H 2 80 ARG HD2 . . 5.500 4.347 2.695 5.273 . 0 0 "[ . 1 . 2]" 1
1879 2 80 ARG H 2 80 ARG HD3 . . 5.390 4.450 2.556 5.286 . 0 0 "[ . 1 . 2]" 1
1880 2 80 ARG H 2 80 ARG HG2 . . 4.500 3.695 2.276 4.555 0.055 11 0 "[ . 1 . 2]" 1
1881 2 80 ARG H 2 80 ARG HG3 . . 5.250 3.381 2.430 4.677 . 0 0 "[ . 1 . 2]" 1
1882 2 80 ARG HA 2 80 ARG HD2 . . 4.960 4.368 2.345 5.389 0.429 17 0 "[ . 1 . 2]" 1
1883 2 80 ARG HA 2 80 ARG HD3 . . 4.900 4.551 3.917 5.357 0.457 3 0 "[ . 1 . 2]" 1
1884 2 80 ARG HA 2 80 ARG HE . . 5.350 4.826 3.577 5.392 0.042 15 0 "[ . 1 . 2]" 1
1885 2 80 ARG HA 2 80 ARG HG2 . . 4.300 2.941 2.396 3.708 . 0 0 "[ . 1 . 2]" 1
1886 2 80 ARG HA 2 80 ARG HG3 . . 4.260 3.028 2.429 3.898 . 0 0 "[ . 1 . 2]" 1
1887 2 80 ARG HA 2 81 LYS H . . 3.210 2.152 2.085 2.228 . 0 0 "[ . 1 . 2]" 1
1888 2 80 ARG HB2 2 80 ARG HD2 . . 4.250 3.179 2.405 3.852 . 0 0 "[ . 1 . 2]" 1
1889 2 80 ARG HB2 2 80 ARG HE . . 5.410 3.862 2.311 4.773 . 0 0 "[ . 1 . 2]" 1
1890 2 80 ARG HB3 2 80 ARG HD3 . . 4.340 3.045 2.537 3.870 . 0 0 "[ . 1 . 2]" 1
1891 2 80 ARG HB3 2 80 ARG HE . . 4.880 3.602 2.310 4.811 . 0 0 "[ . 1 . 2]" 1
1892 2 81 LYS H 2 81 LYS HB3 . . 4.160 2.403 2.305 2.503 . 0 0 "[ . 1 . 2]" 1
1893 2 81 LYS H 2 81 LYS HG2 . . 4.990 4.431 4.332 4.495 . 0 0 "[ . 1 . 2]" 1
1894 2 81 LYS H 2 81 LYS HG3 . . 4.980 4.521 4.418 4.592 . 0 0 "[ . 1 . 2]" 1
1895 2 81 LYS H 2 82 ILE H . . 4.570 4.539 4.381 4.625 0.055 19 0 "[ . 1 . 2]" 1
1896 2 81 LYS HA 2 81 LYS HD3 . . 5.700 4.568 4.207 4.950 . 0 0 "[ . 1 . 2]" 1
1897 2 81 LYS HA 2 81 LYS HG2 . . 4.270 3.194 3.114 3.310 . 0 0 "[ . 1 . 2]" 1
1898 2 81 LYS HA 2 82 ILE H . . 3.300 2.139 2.056 2.181 . 0 0 "[ . 1 . 2]" 1
1899 2 81 LYS HB2 2 81 LYS HE3 . . 4.910 3.836 2.183 4.680 . 0 0 "[ . 1 . 2]" 1
1900 2 81 LYS HB2 2 82 ILE H . . 5.610 4.271 4.128 4.455 . 0 0 "[ . 1 . 2]" 1
1901 2 81 LYS HB3 2 81 LYS HE3 . . 4.950 3.801 3.044 4.873 . 0 0 "[ . 1 . 2]" 1
1902 2 81 LYS HB3 2 82 ILE H . . 5.570 4.309 4.083 4.535 . 0 0 "[ . 1 . 2]" 1
1903 2 81 LYS HE3 2 81 LYS HG2 . . 3.920 2.986 2.485 3.835 . 0 0 "[ . 1 . 2]" 1
1904 2 81 LYS HG2 2 82 ILE H . . 5.470 3.349 2.902 4.018 . 0 0 "[ . 1 . 2]" 1
1905 2 81 LYS HE3 2 81 LYS HG3 . . 3.930 3.156 2.526 3.715 . 0 0 "[ . 1 . 2]" 1
1906 2 81 LYS HG3 2 82 ILE H . . 5.330 3.171 2.749 3.714 . 0 0 "[ . 1 . 2]" 1
1907 2 82 ILE H 2 82 ILE HB . . 3.940 3.725 3.636 3.878 . 0 0 "[ . 1 . 2]" 1
1908 2 82 ILE H 2 82 ILE HG12 . . 4.820 2.367 2.078 3.923 . 0 0 "[ . 1 . 2]" 1
1909 2 82 ILE H 2 82 ILE HG13 . . 4.360 3.431 2.514 4.295 . 0 0 "[ . 1 . 2]" 1
1910 2 82 ILE H 2 82 ILE MD . . 4.230 3.529 2.143 3.863 . 0 0 "[ . 1 . 2]" 1
1911 2 82 ILE H 2 82 ILE MG . . 3.940 2.484 2.137 2.979 . 0 0 "[ . 1 . 2]" 1
1912 2 82 ILE H 2 83 GLU H . . 5.380 4.577 4.529 4.612 . 0 0 "[ . 1 . 2]" 1
1913 2 82 ILE HA 2 83 GLU H . . 3.390 2.200 2.123 2.245 . 0 0 "[ . 1 . 2]" 1
1914 2 82 ILE HA 2 83 GLU HG3 . . 3.840 3.901 3.867 3.926 0.086 11 0 "[ . 1 . 2]" 1
1915 2 82 ILE HB 2 82 ILE MD . . 3.270 2.546 2.341 3.275 0.005 10 0 "[ . 1 . 2]" 1
1916 2 82 ILE HB 2 83 GLU H . . 3.300 2.606 2.482 2.817 . 0 0 "[ . 1 . 2]" 1
1917 2 82 ILE MD 2 83 GLU H . . 5.370 4.494 4.326 4.748 . 0 0 "[ . 1 . 2]" 1
1918 2 82 ILE HG12 2 82 ILE MG . . 3.420 2.627 2.341 3.252 . 0 0 "[ . 1 . 2]" 1
1919 2 82 ILE MD 2 82 ILE MG . . 3.400 2.084 2.023 2.171 . 0 0 "[ . 1 . 2]" 1
1920 2 82 ILE MG 2 83 GLU H . . 4.520 3.752 3.484 4.065 . 0 0 "[ . 1 . 2]" 1
1921 2 83 GLU H 2 83 GLU HB2 . . 3.900 2.862 2.792 2.931 . 0 0 "[ . 1 . 2]" 1
1922 2 83 GLU H 2 83 GLU HB3 . . 4.130 3.801 3.674 3.863 . 0 0 "[ . 1 . 2]" 1
1923 2 83 GLU H 2 83 GLU HG3 . . 3.940 2.621 2.314 2.796 . 0 0 "[ . 1 . 2]" 1
1924 2 83 GLU HA 2 83 GLU HG3 . . 3.990 3.584 3.462 3.667 . 0 0 "[ . 1 . 2]" 1
1925 2 83 GLU HA 2 84 VAL H . . 3.270 2.348 2.321 2.390 . 0 0 "[ . 1 . 2]" 1
1926 2 83 GLU HB2 2 84 VAL H . . 4.570 3.554 3.431 3.698 . 0 0 "[ . 1 . 2]" 1
1927 2 83 GLU HB3 2 84 VAL H . . 4.310 2.760 2.609 2.945 . 0 0 "[ . 1 . 2]" 1
1928 2 84 VAL H 2 85 ASN H . . 5.480 4.251 4.190 4.300 . 0 0 "[ . 1 . 2]" 1
1929 2 84 VAL HA 2 84 VAL MG1 . . 3.480 2.337 2.277 2.401 . 0 0 "[ . 1 . 2]" 1
1930 2 84 VAL HA 2 84 VAL MG2 . . 3.550 2.495 2.438 2.603 . 0 0 "[ . 1 . 2]" 1
1931 2 84 VAL HA 2 85 ASN H . . 3.180 2.159 2.102 2.208 . 0 0 "[ . 1 . 2]" 1
1932 2 84 VAL HB 2 85 ASN H . . 5.260 4.001 3.901 4.095 . 0 0 "[ . 1 . 2]" 1
1933 2 84 VAL MG1 2 85 ASN H . . 4.140 2.503 2.425 2.642 . 0 0 "[ . 1 . 2]" 1
1934 2 84 VAL MG1 2 85 ASN HA . . 5.320 3.946 3.771 4.098 . 0 0 "[ . 1 . 2]" 1
1935 2 84 VAL MG2 2 85 ASN H . . 5.340 4.092 4.015 4.178 . 0 0 "[ . 1 . 2]" 1
1936 2 85 ASN H 2 85 ASN HB2 . . 4.080 2.565 2.417 2.726 . 0 0 "[ . 1 . 2]" 1
1937 2 85 ASN H 2 85 ASN HB3 . . 3.940 3.643 3.552 3.692 . 0 0 "[ . 1 . 2]" 1
1938 2 85 ASN H 2 85 ASN HD22 . . 5.510 5.170 4.734 6.002 0.492 16 0 "[ . 1 . 2]" 1
1939 2 85 ASN H 2 86 ASN H . . 4.920 4.467 4.445 4.490 . 0 0 "[ . 1 . 2]" 1
1940 2 85 ASN HA 2 85 ASN HD21 . . 4.060 4.011 3.024 4.220 0.160 16 0 "[ . 1 . 2]" 1
1941 2 85 ASN HA 2 86 ASN H . . 4.050 2.479 2.400 2.554 . 0 0 "[ . 1 . 2]" 1
1942 2 85 ASN HB2 2 86 ASN H . . 3.800 3.796 3.709 3.856 0.056 14 0 "[ . 1 . 2]" 1
1943 2 86 ASN H 2 86 ASN HB3 . . 3.730 2.829 2.282 3.695 . 0 0 "[ . 1 . 2]" 1
1944 2 86 ASN H 2 86 ASN HD21 . . 4.980 4.244 2.487 4.829 . 0 0 "[ . 1 . 2]" 1
1945 2 86 ASN H 2 87 ALA H . . 5.230 4.627 4.550 4.666 . 0 0 "[ . 1 . 2]" 1
1946 2 86 ASN HA 2 87 ALA H . . 3.190 2.305 2.232 2.346 . 0 0 "[ . 1 . 2]" 1
1947 2 86 ASN HA 2 87 ALA MB . . 4.430 4.022 3.822 4.137 . 0 0 "[ . 1 . 2]" 1
1948 2 86 ASN HB2 2 87 ALA H . . 4.430 3.520 2.872 4.432 0.002 1 0 "[ . 1 . 2]" 1
1949 2 86 ASN HB3 2 87 ALA H . . 4.070 3.916 2.837 4.140 0.070 14 0 "[ . 1 . 2]" 1
1950 2 87 ALA HA 2 88 THR MG . . 5.220 4.292 4.143 4.393 . 0 0 "[ . 1 . 2]" 1
1951 2 87 ALA MB 2 88 THR H . . 4.070 2.820 2.647 3.160 . 0 0 "[ . 1 . 2]" 1
1952 2 87 ALA MB 2 88 THR HA . . 5.270 4.337 4.171 4.497 . 0 0 "[ . 1 . 2]" 1
1953 2 87 ALA MB 2 88 THR MG . . 5.200 4.756 4.414 4.891 . 0 0 "[ . 1 . 2]" 1
1954 2 88 THR H 2 88 THR MG . . 4.230 2.763 2.352 2.888 . 0 0 "[ . 1 . 2]" 1
1955 2 88 THR HA 2 88 THR MG . . 3.660 3.270 3.247 3.285 . 0 0 "[ . 1 . 2]" 1
1956 2 88 THR HA 2 89 ALA H . . 4.050 2.682 2.109 2.967 . 0 0 "[ . 1 . 2]" 1
1957 2 88 THR HA 2 89 ALA MB . . 4.960 4.238 3.482 4.476 . 0 0 "[ . 1 . 2]" 1
1958 2 88 THR HB 2 89 ALA H . . 4.470 4.023 3.660 4.560 0.090 13 0 "[ . 1 . 2]" 1
1959 2 88 THR MG 2 89 ALA H . . 4.500 2.803 2.194 4.340 . 0 0 "[ . 1 . 2]" 1
1960 2 89 ALA H 2 89 ALA MB . . 3.500 2.338 2.149 2.734 . 0 0 "[ . 1 . 2]" 1
1961 2 89 ALA H 2 90 ARG H . . 5.250 4.526 3.469 4.824 . 0 0 "[ . 1 . 2]" 1
1962 2 89 ALA HA 2 90 ARG H . . 3.550 2.345 2.124 3.315 . 0 0 "[ . 1 . 2]" 1
1963 2 89 ALA HA 2 90 ARG HA . . 5.630 4.607 4.461 5.244 . 0 0 "[ . 1 . 2]" 1
1964 2 89 ALA HA 2 90 ARG HB2 . . 5.700 4.239 4.066 4.463 . 0 0 "[ . 1 . 2]" 1
1965 2 89 ALA HA 2 90 ARG HB3 . . 5.700 5.617 5.375 5.840 0.140 7 0 "[ . 1 . 2]" 1
1966 2 89 ALA HA 2 90 ARG HG3 . . 5.160 4.692 4.280 5.245 0.085 10 0 "[ . 1 . 2]" 1
1967 2 89 ALA MB 2 90 ARG H . . 3.970 2.999 2.004 3.579 . 0 0 "[ . 1 . 2]" 1
1968 2 90 ARG H 2 90 ARG HB2 . . 3.550 2.323 2.037 3.352 . 0 0 "[ . 1 . 2]" 1
1969 2 90 ARG H 2 90 ARG HD2 . . 4.960 5.016 4.581 5.430 0.470 11 0 "[ . 1 . 2]" 1
1970 2 90 ARG H 2 90 ARG HG3 . . 4.320 3.157 2.542 4.343 0.023 11 0 "[ . 1 . 2]" 1
1971 2 90 ARG H 2 91 VAL H . . 4.610 4.568 4.322 4.652 0.042 20 0 "[ . 1 . 2]" 1
1972 2 90 ARG HA 2 90 ARG HD2 . . 4.330 4.228 4.022 4.467 0.137 20 0 "[ . 1 . 2]" 1
1973 2 90 ARG HA 2 90 ARG HD3 . . 4.450 4.476 4.197 4.568 0.118 7 0 "[ . 1 . 2]" 1
1974 2 90 ARG HA 2 90 ARG HE . . 5.500 4.919 4.482 5.292 . 0 0 "[ . 1 . 2]" 1
1975 2 90 ARG HA 2 90 ARG HG3 . . 3.640 2.745 2.368 2.955 . 0 0 "[ . 1 . 2]" 1
1976 2 90 ARG HA 2 91 VAL HB . . 5.500 4.626 4.126 5.607 0.107 7 0 "[ . 1 . 2]" 1
1977 2 90 ARG HB2 2 90 ARG HD2 . . 4.280 3.067 2.275 3.716 . 0 0 "[ . 1 . 2]" 1
1978 2 90 ARG HB2 2 91 VAL H . . 4.780 3.906 3.453 4.303 . 0 0 "[ . 1 . 2]" 1
1979 2 90 ARG HB3 2 91 VAL H . . 4.420 2.579 1.991 3.209 . 0 0 "[ . 1 . 2]" 1
1980 2 90 ARG HE 2 91 VAL H . . 5.700 5.597 4.763 5.777 0.077 17 0 "[ . 1 . 2]" 1
1981 2 91 VAL H 2 91 VAL HB . . 3.910 2.492 2.112 3.927 0.017 7 0 "[ . 1 . 2]" 1
1982 2 91 VAL H 2 92 MET H . . 4.960 3.462 2.207 4.710 . 0 0 "[ . 1 . 2]" 1
1983 2 91 VAL HA 2 92 MET H . . 3.570 3.081 2.229 3.641 0.071 8 0 "[ . 1 . 2]" 1
1984 2 91 VAL MG1 2 92 MET H . . 3.950 2.899 2.135 3.921 . 0 0 "[ . 1 . 2]" 1
1985 2 91 VAL MG1 2 92 MET HA . . 4.990 4.261 3.813 5.385 0.395 7 0 "[ . 1 . 2]" 1
1986 2 91 VAL MG1 2 93 THR H . . 5.180 3.345 1.731 5.313 0.133 7 0 "[ . 1 . 2]" 1
1987 2 92 MET H 2 92 MET HB3 . . 3.670 3.370 2.468 3.884 0.214 2 0 "[ . 1 . 2]" 1
1988 2 92 MET H 2 92 MET HG3 . . 4.390 3.611 2.189 4.515 0.125 13 0 "[ . 1 . 2]" 1
1989 2 92 MET HA 2 92 MET HG3 . . 4.360 3.481 2.346 4.267 . 0 0 "[ . 1 . 2]" 1
1990 2 92 MET HB2 2 93 THR H . . 4.350 3.839 2.543 4.499 0.149 11 0 "[ . 1 . 2]" 1
1991 2 92 MET HB2 2 94 ASN H . . 5.630 5.252 3.299 5.764 0.134 14 0 "[ . 1 . 2]" 1
1992 2 93 THR H 2 93 THR HB . . 4.020 3.182 2.246 4.057 0.037 5 0 "[ . 1 . 2]" 1
1993 2 93 THR H 2 93 THR MG . . 4.220 2.928 2.042 3.850 . 0 0 "[ . 1 . 2]" 1
1994 2 93 THR HB 2 94 ASN H . . 5.390 3.989 2.561 4.571 . 0 0 "[ . 1 . 2]" 1
1995 2 94 ASN H 2 94 ASN HB2 . . 4.080 2.902 2.262 3.639 . 0 0 "[ . 1 . 2]" 1
1996 2 94 ASN HA 2 95 LYS H . . 4.100 2.810 2.185 3.450 . 0 0 "[ . 1 . 2]" 1
1997 2 94 ASN HB2 2 95 LYS H . . 5.220 4.168 3.260 4.680 . 0 0 "[ . 1 . 2]" 1
1998 2 94 ASN HB3 2 95 LYS H . . 5.540 3.796 2.609 4.520 . 0 0 "[ . 1 . 2]" 1
1999 2 95 LYS H 2 95 LYS HB2 . . 3.480 2.811 2.164 3.555 0.075 4 0 "[ . 1 . 2]" 1
2000 2 95 LYS H 2 95 LYS HE3 . . 5.170 4.675 3.275 5.344 0.174 16 0 "[ . 1 . 2]" 1
2001 2 95 LYS HA 2 95 LYS HD3 . . 4.310 3.897 2.173 4.507 0.197 4 0 "[ . 1 . 2]" 1
2002 2 95 LYS HA 2 95 LYS HE3 . . 5.300 4.534 2.173 5.467 0.167 6 0 "[ . 1 . 2]" 1
2003 2 95 LYS HA 2 95 LYS HG3 . . 3.900 2.859 2.235 3.830 . 0 0 "[ . 1 . 2]" 1
2004 2 95 LYS HA 2 96 LYS H . . 3.760 2.378 2.125 3.515 . 0 0 "[ . 1 . 2]" 1
2005 2 95 LYS HB2 2 95 LYS HE3 . . 5.270 3.272 2.072 4.472 . 0 0 "[ . 1 . 2]" 1
2006 2 95 LYS HB3 2 95 LYS HE3 . . 4.770 3.411 1.922 4.816 0.046 6 0 "[ . 1 . 2]" 1
2007 2 95 LYS HG3 2 96 LYS H . . 4.640 3.851 2.244 4.711 0.071 16 0 "[ . 1 . 2]" 1
2008 2 96 LYS H 2 96 LYS HB2 . . 3.220 2.824 2.410 3.303 0.083 12 0 "[ . 1 . 2]" 1
2009 2 96 LYS H 2 97 THR H . . 5.370 3.027 1.807 4.522 . 0 0 "[ . 1 . 2]" 1
2010 2 96 LYS HA 2 97 THR H . . 4.250 2.930 2.140 3.592 . 0 0 "[ . 1 . 2]" 1
2011 2 97 THR H 2 97 THR HB . . 3.400 3.173 2.230 3.594 0.194 18 0 "[ . 1 . 2]" 1
2012 2 97 THR HA 2 98 VAL H . . 4.370 2.534 2.117 3.598 . 0 0 "[ . 1 . 2]" 1
2013 2 97 THR HA 2 98 VAL HB . . 4.570 4.333 3.952 4.626 0.056 11 0 "[ . 1 . 2]" 1
2014 2 97 THR HA 2 98 VAL MG1 . . 4.490 3.748 3.413 4.512 0.022 1 0 "[ . 1 . 2]" 1
2015 2 97 THR HB 2 98 VAL H . . 4.530 3.463 2.504 4.212 . 0 0 "[ . 1 . 2]" 1
2016 2 98 VAL H 2 98 VAL HB . . 3.560 3.332 2.886 3.464 . 0 0 "[ . 1 . 2]" 1
2017 2 98 VAL H 2 98 VAL MG1 . . 4.190 2.622 2.423 3.644 . 0 0 "[ . 1 . 2]" 1
2018 2 98 VAL MG2 2 99 ASN H . . 4.920 2.303 1.965 4.376 . 0 0 "[ . 1 . 2]" 1
2019 2 98 VAL MG2 2 100 PRO HA . . 5.670 4.643 3.459 5.522 . 0 0 "[ . 1 . 2]" 1
2020 2 99 ASN H 2 99 ASN HB2 . . 3.580 2.835 2.502 3.741 0.161 20 0 "[ . 1 . 2]" 1
2021 2 99 ASN H 2 99 ASN HB3 . . 4.060 3.543 2.319 3.895 . 0 0 "[ . 1 . 2]" 1
2022 2 99 ASN H 2 100 PRO HD2 . . 5.680 5.050 4.367 5.332 . 0 0 "[ . 1 . 2]" 1
2023 2 99 ASN HA 2 100 PRO HD2 . . 3.740 2.743 2.242 3.451 . 0 0 "[ . 1 . 2]" 1
2024 2 99 ASN HA 2 100 PRO HD3 . . 3.740 2.368 2.122 2.832 . 0 0 "[ . 1 . 2]" 1
2025 2 99 ASN HB2 2 100 PRO HD2 . . 5.810 4.082 3.313 4.998 . 0 0 "[ . 1 . 2]" 1
2026 2 99 ASN HB2 2 102 THR HB . . 5.430 4.992 3.775 5.473 0.043 2 0 "[ . 1 . 2]" 1
2027 2 99 ASN HB3 2 100 PRO HD2 . . 5.450 2.980 2.155 4.897 . 0 0 "[ . 1 . 2]" 1
2028 2 99 ASN HB3 2 100 PRO HD3 . . 5.370 3.873 2.407 5.027 . 0 0 "[ . 1 . 2]" 1
2029 2 100 PRO HA 2 102 THR H . . 5.800 4.205 3.409 5.613 . 0 0 "[ . 1 . 2]" 1
2030 2 100 PRO HB2 2 101 TYR H . . 4.570 3.550 2.582 4.266 . 0 0 "[ . 1 . 2]" 1
2031 2 100 PRO HB3 2 101 TYR H . . 5.630 4.353 3.952 4.638 . 0 0 "[ . 1 . 2]" 1
2032 2 100 PRO HD2 2 101 TYR H . . 4.980 2.866 2.473 3.254 . 0 0 "[ . 1 . 2]" 1
2033 2 100 PRO HD3 2 101 TYR H . . 4.330 4.021 3.774 4.234 . 0 0 "[ . 1 . 2]" 1
2034 2 100 PRO HD3 2 101 TYR QD . . 5.120 4.534 4.078 5.188 0.068 20 0 "[ . 1 . 2]" 1
2035 2 100 PRO HD3 2 101 TYR QE . . 5.310 5.147 3.900 5.437 0.127 5 0 "[ . 1 . 2]" 1
2036 2 100 PRO HG2 2 101 TYR H . . 4.920 3.470 2.152 4.733 . 0 0 "[ . 1 . 2]" 1
2037 2 100 PRO HG3 2 101 TYR H . . 5.120 4.491 3.745 4.956 . 0 0 "[ . 1 . 2]" 1
2038 2 101 TYR H 2 101 TYR HB2 . . 3.600 2.842 2.199 3.767 0.167 8 0 "[ . 1 . 2]" 1
2039 2 101 TYR H 2 101 TYR HB3 . . 3.800 3.438 2.707 3.808 0.008 6 0 "[ . 1 . 2]" 1
2040 2 101 TYR H 2 101 TYR QD . . 4.160 2.442 1.711 3.209 . 0 0 "[ . 1 . 2]" 1
2041 2 101 TYR H 2 102 THR H . . 5.090 2.662 2.055 3.268 . 0 0 "[ . 1 . 2]" 1
2042 2 101 TYR H 2 102 THR MG . . 5.530 4.086 2.368 5.639 0.109 10 0 "[ . 1 . 2]" 1
2043 2 103 ASN HA 2 104 GLY H . . 4.120 2.891 2.234 3.586 . 0 0 "[ . 1 . 2]" 1
2044 2 103 ASN HB2 2 104 GLY H . . 5.430 4.021 2.509 4.605 . 0 0 "[ . 1 . 2]" 1
2045 2 103 ASN HB3 2 104 GLY H . . 5.040 3.675 2.609 4.578 . 0 0 "[ . 1 . 2]" 1
2046 1 1 G H1' 2 101 TYR QE . . 6.000 5.882 3.873 6.212 0.212 13 0 "[ . 1 . 2]" 1
2047 1 1 G H1' 2 102 THR HA . . 6.000 4.028 2.283 6.121 0.121 6 0 "[ . 1 . 2]" 1
2048 1 1 G H1' 2 102 THR HB . . 6.500 5.442 2.550 6.556 0.056 16 0 "[ . 1 . 2]" 1
2049 1 1 G H1' 2 102 THR MG . . 6.000 4.511 1.947 6.065 0.065 7 0 "[ . 1 . 2]" 1
2050 1 1 G H8 2 102 THR HA . . 6.000 4.320 2.737 6.051 0.051 10 0 "[ . 1 . 2]" 1
2051 1 1 G H8 2 102 THR HB . . 6.000 5.090 3.677 6.108 0.108 17 0 "[ . 1 . 2]" 1
2052 1 1 G H8 2 102 THR MG . . 5.000 4.074 2.496 5.079 0.079 4 0 "[ . 1 . 2]" 1
2053 1 7 U H1' 2 46 PHE QD . . 6.000 5.957 4.715 6.165 0.165 1 0 "[ . 1 . 2]" 1
2054 1 8 U H1' 2 46 PHE QD . . 5.000 4.832 4.413 5.223 0.223 3 0 "[ . 1 . 2]" 1
2055 1 8 U H1' 2 46 PHE QE . . 5.000 5.043 4.657 5.238 0.238 4 0 "[ . 1 . 2]" 1
2056 1 8 U H1' 2 48 GLU HA . . 4.500 3.799 2.875 4.795 0.295 3 0 "[ . 1 . 2]" 1
2057 1 8 U H1' 2 48 GLU HB2 . . 5.500 4.170 2.993 5.639 0.139 16 0 "[ . 1 . 2]" 1
2058 1 8 U H1' 2 48 GLU HB3 . . 5.500 5.019 3.200 5.783 0.283 2 0 "[ . 1 . 2]" 1
2059 1 8 U H1' 2 48 GLU HG2 . . 5.500 5.618 5.135 6.477 0.977 1 1 "[+ . 1 . 2]" 1
2060 1 8 U H1' 2 48 GLU HG3 . . 5.500 5.321 3.414 5.727 0.227 11 0 "[ . 1 . 2]" 1
2061 1 8 U H1' 2 49 ARG HA . . 5.000 2.612 1.909 3.796 . 0 0 "[ . 1 . 2]" 1
2062 1 8 U H1' 2 49 ARG HD2 . . 6.000 5.741 4.652 6.325 0.325 4 0 "[ . 1 . 2]" 1
2063 1 8 U H1' 2 49 ARG HD3 . . 6.000 5.675 4.663 6.260 0.260 14 0 "[ . 1 . 2]" 1
2064 1 8 U H1' 2 49 ARG HG3 . . 5.500 4.909 3.657 5.618 0.118 10 0 "[ . 1 . 2]" 1
2065 1 8 U H1' 2 50 GLY HA2 . . 5.500 4.669 4.379 5.118 . 0 0 "[ . 1 . 2]" 1
2066 1 8 U H1' 2 50 GLY HA3 . . 5.500 4.784 4.216 5.414 . 0 0 "[ . 1 . 2]" 1
2067 1 8 U H5 2 23 ARG HA . . 6.000 5.521 3.696 6.087 0.087 18 0 "[ . 1 . 2]" 1
2068 1 8 U H5 2 23 ARG HD2 . . 6.000 5.284 4.003 6.066 0.066 11 0 "[ . 1 . 2]" 1
2069 1 8 U H5 2 23 ARG HD3 . . 6.000 5.464 2.758 6.138 0.138 15 0 "[ . 1 . 2]" 1
2070 1 8 U H5 2 44 ILE MG . . 6.000 6.104 6.030 6.211 0.211 9 0 "[ . 1 . 2]" 1
2071 1 8 U H6 2 49 ARG HA . . 6.500 4.144 3.539 4.815 . 0 0 "[ . 1 . 2]" 1
2072 1 9 U H1' 2 48 GLU HA . . 6.500 6.739 6.589 7.042 0.542 14 1 "[ . 1 +. 2]" 1
2073 1 9 U H1' 2 48 GLU HG2 . . 6.000 5.263 3.347 6.344 0.344 8 0 "[ . 1 . 2]" 1
2074 1 9 U H1' 2 48 GLU HG3 . . 6.000 4.281 2.825 6.167 0.167 16 0 "[ . 1 . 2]" 1
2075 1 9 U H1' 2 49 ARG HA . . 4.500 3.971 3.003 4.606 0.106 3 0 "[ . 1 . 2]" 1
2076 1 9 U H1' 2 49 ARG HB2 . . 5.000 5.043 3.527 5.339 0.339 12 0 "[ . 1 . 2]" 1
2077 1 9 U H1' 2 49 ARG HB3 . . 5.000 4.349 4.092 5.199 0.199 3 0 "[ . 1 . 2]" 1
2078 1 9 U H1' 2 49 ARG HD2 . . 5.000 3.868 2.614 5.102 0.102 4 0 "[ . 1 . 2]" 1
2079 1 9 U H1' 2 49 ARG HD3 . . 5.000 4.131 2.640 4.647 . 0 0 "[ . 1 . 2]" 1
2080 1 9 U H1' 2 49 ARG HG3 . . 5.000 2.995 1.915 4.676 . 0 0 "[ . 1 . 2]" 1
2081 1 10 G H1' 2 22 PHE QE . . 5.500 2.650 2.003 4.552 . 0 0 "[ . 1 . 2]" 1
2082 1 10 G H1' 2 49 ARG HA . . 6.000 4.932 3.920 6.141 0.141 17 0 "[ . 1 . 2]" 1
2083 1 10 G H1' 2 49 ARG HD2 . . 5.500 3.646 2.231 5.384 . 0 0 "[ . 1 . 2]" 1
2084 1 10 G H1' 2 49 ARG HD3 . . 5.500 3.960 2.312 5.549 0.049 11 0 "[ . 1 . 2]" 1
2085 1 10 G H1' 2 49 ARG HE . . 5.500 4.022 2.496 5.537 0.037 12 0 "[ . 1 . 2]" 1
2086 1 10 G H8 2 22 PHE QD . . 5.500 5.587 4.939 5.873 0.373 5 0 "[ . 1 . 2]" 1
2087 1 10 G H8 2 49 ARG HG3 . . 6.500 5.115 2.350 6.611 0.111 13 0 "[ . 1 . 2]" 1
2088 1 11 G H1 2 20 ILE H . . 5.000 4.730 4.458 4.932 . 0 0 "[ . 1 . 2]" 1
2089 1 11 G H1 2 21 PRO HA . . 3.000 2.567 2.333 2.997 . 0 0 "[ . 1 . 2]" 1
2090 1 11 G H1 2 21 PRO HB3 . . 6.000 4.917 4.693 5.275 . 0 0 "[ . 1 . 2]" 1
2091 1 11 G H1 2 21 PRO HD3 . . 5.500 4.752 4.515 5.141 . 0 0 "[ . 1 . 2]" 1
2092 1 11 G H1 2 22 PHE H . . 4.000 3.138 2.690 3.487 . 0 0 "[ . 1 . 2]" 1
2093 1 11 G H1 2 22 PHE HB2 . . 5.500 4.928 3.437 5.350 . 0 0 "[ . 1 . 2]" 1
2094 1 11 G H1 2 22 PHE HB3 . . 6.000 6.017 5.074 6.201 0.201 9 0 "[ . 1 . 2]" 1
2095 1 11 G H1 2 22 PHE QD . . 5.000 3.383 3.116 3.661 . 0 0 "[ . 1 . 2]" 1
2096 1 11 G H1 2 22 PHE QE . . 5.500 4.203 3.575 5.023 . 0 0 "[ . 1 . 2]" 1
2097 1 11 G H1 2 53 GLY HA2 . . 5.000 3.669 3.457 4.129 . 0 0 "[ . 1 . 2]" 1
2098 1 11 G H1 2 53 GLY HA3 . . 5.000 4.611 4.212 5.033 0.033 15 0 "[ . 1 . 2]" 1
2099 1 11 G H1 2 80 ARG HD2 . . 6.000 4.200 2.884 5.877 . 0 0 "[ . 1 . 2]" 1
2100 1 11 G H1 2 80 ARG HD3 . . 6.000 3.602 2.832 5.147 . 0 0 "[ . 1 . 2]" 1
2101 1 11 G H1 2 80 ARG HE . . 6.000 3.948 3.240 5.543 . 0 0 "[ . 1 . 2]" 1
2102 1 11 G H1' 2 22 PHE HZ . . 5.000 3.667 3.142 4.440 . 0 0 "[ . 1 . 2]" 1
2103 1 11 G H1' 2 22 PHE QE . . 5.000 3.721 2.945 4.275 . 0 0 "[ . 1 . 2]" 1
2104 1 11 G H8 2 22 PHE HZ . . 6.000 3.737 3.171 4.673 . 0 0 "[ . 1 . 2]" 1
2105 1 11 G H8 2 22 PHE QE . . 4.500 3.848 3.399 4.534 0.034 19 0 "[ . 1 . 2]" 1
2106 1 12 C H1' 2 52 LYS HA . . 5.500 5.153 4.517 5.574 0.074 2 0 "[ . 1 . 2]" 1
2107 1 12 C H2' 2 52 LYS HA . . 6.000 4.561 3.859 5.073 . 0 0 "[ . 1 . 2]" 1
2108 1 12 C H5 2 22 PHE HA . . 5.500 5.670 5.511 5.906 0.406 8 0 "[ . 1 . 2]" 1
2109 1 12 C H5 2 22 PHE HZ . . 4.500 2.642 2.269 3.440 . 0 0 "[ . 1 . 2]" 1
2110 1 12 C H5 2 22 PHE QD . . 6.000 4.010 3.847 4.298 . 0 0 "[ . 1 . 2]" 1
2111 1 12 C H5 2 22 PHE QE . . 3.500 2.323 1.967 3.021 . 0 0 "[ . 1 . 2]" 1
2112 1 12 C H5 2 52 LYS HA . . 4.500 2.763 2.401 3.705 . 0 0 "[ . 1 . 2]" 1
2113 1 12 C H5 2 53 GLY HA2 . . 6.500 4.213 2.976 5.460 . 0 0 "[ . 1 . 2]" 1
2114 1 12 C H5 2 53 GLY HA3 . . 6.500 3.869 2.861 5.375 . 0 0 "[ . 1 . 2]" 1
2115 1 12 C H6 2 22 PHE HZ . . 5.000 3.715 2.418 5.027 0.027 14 0 "[ . 1 . 2]" 1
2116 1 12 C H6 2 22 PHE QE . . 4.500 3.852 3.347 4.234 . 0 0 "[ . 1 . 2]" 1
2117 1 12 C H6 2 52 LYS HA . . 5.000 3.641 3.264 4.387 . 0 0 "[ . 1 . 2]" 1
2118 1 13 A H1' 2 16 HIS HE1 . . 6.000 5.397 4.945 5.960 . 0 0 "[ . 1 . 2]" 1
2119 1 13 A H1' 2 54 PHE HZ . . 6.000 6.191 6.029 6.361 0.361 3 0 "[ . 1 . 2]" 1
2120 1 13 A H2 2 18 SER H . . 6.000 5.509 5.348 5.687 . 0 0 "[ . 1 . 2]" 1
2121 1 13 A H2 2 18 SER HA . . 4.500 2.605 2.405 2.756 . 0 0 "[ . 1 . 2]" 1
2122 1 13 A H2 2 18 SER HB2 . . 5.500 4.356 3.933 4.893 . 0 0 "[ . 1 . 2]" 1
2123 1 13 A H2 2 18 SER HB3 . . 5.500 4.377 3.809 4.663 . 0 0 "[ . 1 . 2]" 1
2124 1 13 A H2 2 19 ASN H . . 4.000 1.982 1.771 2.256 . 0 0 "[ . 1 . 2]" 1
2125 1 13 A H2 2 19 ASN HA . . 5.000 3.475 3.167 3.883 . 0 0 "[ . 1 . 2]" 1
2126 1 13 A H2 2 19 ASN HB2 . . 6.500 4.804 4.565 5.131 . 0 0 "[ . 1 . 2]" 1
2127 1 13 A H2 2 19 ASN HB3 . . 6.500 5.686 5.473 6.003 . 0 0 "[ . 1 . 2]" 1
2128 1 13 A H2 2 20 ILE H . . 6.000 3.971 3.750 4.137 . 0 0 "[ . 1 . 2]" 1
2129 1 13 A H2 2 20 ILE MD . . 4.000 4.180 4.034 4.244 0.244 19 0 "[ . 1 . 2]" 1
2130 1 13 A H2 2 20 ILE MG . . 6.000 5.598 4.577 5.908 . 0 0 "[ . 1 . 2]" 1
2131 1 13 A H2 2 53 GLY HA2 . . 6.500 4.190 4.052 4.367 . 0 0 "[ . 1 . 2]" 1
2132 1 13 A H2 2 53 GLY HA3 . . 6.500 3.146 2.951 3.329 . 0 0 "[ . 1 . 2]" 1
2133 1 13 A H2 2 54 PHE H . . 5.000 3.726 3.410 3.903 . 0 0 "[ . 1 . 2]" 1
2134 1 13 A H2 2 54 PHE HA . . 5.000 3.090 2.892 3.295 . 0 0 "[ . 1 . 2]" 1
2135 1 13 A H2 2 54 PHE HB2 . . 6.000 3.063 2.361 3.541 . 0 0 "[ . 1 . 2]" 1
2136 1 13 A H2 2 54 PHE HB3 . . 6.000 2.081 1.956 2.184 . 0 0 "[ . 1 . 2]" 1
2137 1 13 A H2 2 54 PHE QD . . 4.000 3.912 3.277 4.106 0.106 2 0 "[ . 1 . 2]" 1
2138 1 13 A H2 2 54 PHE QE . . 6.000 6.015 5.482 6.194 0.194 2 0 "[ . 1 . 2]" 1
2139 1 13 A H2 2 55 GLY H . . 6.000 5.175 4.925 5.336 . 0 0 "[ . 1 . 2]" 1
2140 1 13 A H2 2 83 GLU HG3 . . 6.000 6.105 6.032 6.162 0.162 16 0 "[ . 1 . 2]" 1
2141 1 14 U H1' 2 16 HIS HA . . 6.000 5.824 5.510 6.049 0.049 15 0 "[ . 1 . 2]" 1
2142 1 14 U H1' 2 16 HIS HD2 . . 5.000 3.290 3.176 3.513 . 0 0 "[ . 1 . 2]" 1
2143 1 14 U H1' 2 45 ILE MD . . 5.500 5.360 5.017 5.656 0.156 10 0 "[ . 1 . 2]" 1
2144 1 14 U H1' 2 45 ILE MG . . 5.500 5.843 5.666 6.005 0.505 4 1 "[ +. 1 . 2]" 1
2145 1 14 U H1' 2 54 PHE HZ . . 6.500 3.947 3.073 4.450 . 0 0 "[ . 1 . 2]" 1
2146 1 14 U H1' 2 54 PHE QD . . 4.500 4.634 4.573 4.679 0.179 13 0 "[ . 1 . 2]" 1
2147 1 14 U H1' 2 54 PHE QE . . 5.000 2.867 2.562 3.110 . 0 0 "[ . 1 . 2]" 1
2148 1 14 U H1' 2 56 PHE QD . . 5.000 4.897 4.714 5.129 0.129 7 0 "[ . 1 . 2]" 1
2149 1 14 U H1' 2 56 PHE QE . . 3.500 2.871 2.613 3.100 . 0 0 "[ . 1 . 2]" 1
2150 1 14 U H1' 2 87 ALA HA . . 5.000 4.559 4.482 4.681 . 0 0 "[ . 1 . 2]" 1
2151 1 14 U H1' 2 87 ALA MB . . 4.500 4.479 4.331 4.669 0.169 7 0 "[ . 1 . 2]" 1
2152 1 14 U H1' 2 88 THR H . . 5.000 3.853 3.788 3.938 . 0 0 "[ . 1 . 2]" 1
2153 1 14 U H1' 2 88 THR HA . . 6.500 6.577 6.503 6.669 0.169 14 0 "[ . 1 . 2]" 1
2154 1 14 U H1' 2 88 THR HB . . 5.500 5.557 5.471 5.615 0.115 2 0 "[ . 1 . 2]" 1
2155 1 14 U H1' 2 88 THR MG . . 4.000 3.764 3.362 3.923 . 0 0 "[ . 1 . 2]" 1
2156 1 14 U H3 2 16 HIS HB2 . . 3.500 3.241 2.861 3.516 0.016 10 0 "[ . 1 . 2]" 1
2157 1 14 U H3 2 16 HIS HB3 . . 3.500 3.212 2.930 3.507 0.007 7 0 "[ . 1 . 2]" 1
2158 1 14 U H3 2 85 ASN HB2 . . 4.000 3.928 3.741 4.075 0.075 1 0 "[ . 1 . 2]" 1
2159 1 14 U H3 2 85 ASN HB3 . . 4.000 3.189 3.074 3.366 . 0 0 "[ . 1 . 2]" 1
2160 1 14 U H3 2 87 ALA H . . 6.000 4.704 4.624 4.780 . 0 0 "[ . 1 . 2]" 1
2161 1 14 U H3 2 87 ALA HA . . 4.000 2.496 2.403 2.572 . 0 0 "[ . 1 . 2]" 1
2162 1 14 U H3 2 87 ALA MB . . 4.000 4.126 4.039 4.188 0.188 8 0 "[ . 1 . 2]" 1
2163 1 14 U H3 2 88 THR H . . 5.000 3.176 2.736 3.420 . 0 0 "[ . 1 . 2]" 1
2164 1 14 U H3 2 88 THR HB . . 5.500 3.127 2.823 3.303 . 0 0 "[ . 1 . 2]" 1
2165 1 14 U H3 2 88 THR MG . . 4.500 3.446 3.365 3.558 . 0 0 "[ . 1 . 2]" 1
2166 1 14 U H4' 2 54 PHE QE . . 6.000 2.790 2.512 2.991 . 0 0 "[ . 1 . 2]" 1
2167 1 14 U H4' 2 56 PHE QD . . 6.000 6.233 6.068 6.383 0.383 4 0 "[ . 1 . 2]" 1
2168 1 14 U H5 2 16 HIS HD2 . . 6.000 5.017 4.560 5.610 . 0 0 "[ . 1 . 2]" 1
2169 1 14 U H5 2 16 HIS HE1 . . 4.000 3.102 2.964 3.351 . 0 0 "[ . 1 . 2]" 1
2170 1 14 U H5 2 18 SER HB2 . . 6.500 5.056 4.852 5.332 . 0 0 "[ . 1 . 2]" 1
2171 1 14 U H5 2 18 SER HB3 . . 6.500 6.270 5.910 6.542 0.042 1 0 "[ . 1 . 2]" 1
2172 1 14 U H5 2 56 PHE QE . . 6.000 6.132 6.068 6.190 0.190 16 0 "[ . 1 . 2]" 1
2173 1 14 U H5 2 85 ASN HD21 . . 6.000 3.984 3.638 5.321 . 0 0 "[ . 1 . 2]" 1
2174 1 14 U H5 2 85 ASN HD22 . . 6.000 4.784 4.332 5.197 . 0 0 "[ . 1 . 2]" 1
2175 1 14 U H5 2 88 THR HB . . 6.000 6.209 6.079 6.294 0.294 13 0 "[ . 1 . 2]" 1
2176 1 14 U H5 2 88 THR MG . . 5.000 4.946 4.811 5.052 0.052 19 0 "[ . 1 . 2]" 1
2177 1 14 U H6 2 16 HIS HE1 . . 5.000 3.947 3.665 4.398 . 0 0 "[ . 1 . 2]" 1
2178 1 14 U H6 2 56 PHE QE . . 6.000 5.326 5.200 5.456 . 0 0 "[ . 1 . 2]" 1
2179 1 14 U H6 2 88 THR MG . . 5.000 4.519 4.322 4.732 . 0 0 "[ . 1 . 2]" 1
2180 1 15 G H1 2 56 PHE QE . . 6.000 4.036 3.659 4.720 . 0 0 "[ . 1 . 2]" 1
2181 1 15 G H1 2 87 ALA MB . . 5.000 2.972 2.551 4.176 . 0 0 "[ . 1 . 2]" 1
2182 1 15 G H1 2 88 THR H . . 5.500 2.953 2.571 3.454 . 0 0 "[ . 1 . 2]" 1
2183 1 15 G H1 2 88 THR HA . . 6.000 4.159 3.842 4.365 . 0 0 "[ . 1 . 2]" 1
2184 1 15 G H1 2 88 THR MG . . 5.500 4.278 3.196 4.659 . 0 0 "[ . 1 . 2]" 1
2185 1 15 G H1 2 89 ALA HA . . 5.500 4.333 3.320 4.822 . 0 0 "[ . 1 . 2]" 1
2186 1 15 G H1 2 89 ALA MB . . 5.500 4.989 3.701 5.520 0.020 12 0 "[ . 1 . 2]" 1
2187 1 15 G H1 2 90 ARG H . . 5.500 4.251 1.868 5.177 . 0 0 "[ . 1 . 2]" 1
2188 1 15 G H1 2 90 ARG HG2 . . 5.500 4.509 4.218 4.985 . 0 0 "[ . 1 . 2]" 1
2189 1 15 G H1 2 90 ARG HG3 . . 5.500 3.530 3.141 4.351 . 0 0 "[ . 1 . 2]" 1
2190 1 15 G H1' 2 45 ILE MD . . 4.500 2.936 1.817 3.789 . 0 0 "[ . 1 . 2]" 1
2191 1 15 G H1' 2 45 ILE MG . . 5.000 3.489 2.622 4.013 . 0 0 "[ . 1 . 2]" 1
2192 1 15 G H1' 2 54 PHE HZ . . 6.000 4.710 3.703 5.522 . 0 0 "[ . 1 . 2]" 1
2193 1 15 G H1' 2 54 PHE QE . . 5.500 5.001 3.903 5.615 0.115 6 0 "[ . 1 . 2]" 1
2194 1 15 G H1' 2 56 PHE QD . . 6.000 3.627 3.047 4.155 . 0 0 "[ . 1 . 2]" 1
2195 1 15 G H1' 2 87 ALA MB . . 6.500 6.723 6.200 6.950 0.450 10 0 "[ . 1 . 2]" 1
2196 1 15 G H1' 2 90 ARG HA . . 6.000 6.055 5.770 6.244 0.244 6 0 "[ . 1 . 2]" 1
2197 1 15 G H1' 2 90 ARG HD2 . . 6.200 5.703 4.692 6.452 0.252 4 0 "[ . 1 . 2]" 1
2198 1 15 G H1' 2 90 ARG HD3 . . 5.500 5.208 4.643 5.645 0.145 10 0 "[ . 1 . 2]" 1
2199 1 15 G H1' 2 90 ARG HG2 . . 6.000 4.616 4.264 4.828 . 0 0 "[ . 1 . 2]" 1
2200 1 15 G H1' 2 90 ARG HG3 . . 6.000 5.834 5.252 6.145 0.145 9 0 "[ . 1 . 2]" 1
2201 1 15 G H2' 2 43 GLU HG2 . . 5.500 5.404 4.732 5.708 0.208 2 0 "[ . 1 . 2]" 1
2202 1 15 G H2' 2 43 GLU HG3 . . 5.800 5.874 5.116 6.063 0.263 17 0 "[ . 1 . 2]" 1
2203 1 15 G H2' 2 45 ILE MD . . 5.500 5.097 3.896 5.621 0.121 19 0 "[ . 1 . 2]" 1
2204 1 15 G H2' 2 45 ILE MG . . 5.000 4.938 4.524 5.134 0.134 16 0 "[ . 1 . 2]" 1
2205 1 15 G H2' 2 54 PHE HZ . . 5.500 5.731 5.463 5.972 0.472 8 0 "[ . 1 . 2]" 1
2206 1 15 G H2' 2 54 PHE QE . . 6.000 6.141 5.896 6.367 0.367 2 0 "[ . 1 . 2]" 1
2207 1 15 G H2' 2 87 ALA MB . . 6.500 6.623 6.476 6.773 0.273 15 0 "[ . 1 . 2]" 1
2208 1 15 G H2' 2 90 ARG HA . . 5.000 3.674 3.160 4.509 . 0 0 "[ . 1 . 2]" 1
2209 1 15 G H2' 2 90 ARG HB2 . . 5.000 4.988 4.753 5.238 0.238 1 0 "[ . 1 . 2]" 1
2210 1 15 G H2' 2 90 ARG HB3 . . 5.000 4.000 3.582 4.396 . 0 0 "[ . 1 . 2]" 1
2211 1 15 G H2' 2 90 ARG HD2 . . 5.000 3.442 2.290 5.023 0.023 19 0 "[ . 1 . 2]" 1
2212 1 15 G H2' 2 90 ARG HD3 . . 5.000 3.314 2.244 4.161 . 0 0 "[ . 1 . 2]" 1
2213 1 15 G H2' 2 90 ARG HG2 . . 5.000 2.186 1.957 2.586 . 0 0 "[ . 1 . 2]" 1
2214 1 15 G H2' 2 90 ARG HG3 . . 5.000 3.685 3.110 4.242 . 0 0 "[ . 1 . 2]" 1
2215 1 15 G H8 2 43 GLU HA . . 6.500 5.592 5.163 6.433 . 0 0 "[ . 1 . 2]" 1
2216 1 15 G H8 2 43 GLU HB2 . . 6.000 3.753 3.207 4.818 . 0 0 "[ . 1 . 2]" 1
2217 1 15 G H8 2 43 GLU HB3 . . 6.000 3.290 2.653 4.899 . 0 0 "[ . 1 . 2]" 1
2218 1 15 G H8 2 43 GLU HG2 . . 5.500 2.152 1.962 2.935 . 0 0 "[ . 1 . 2]" 1
2219 1 15 G H8 2 43 GLU HG3 . . 5.500 3.028 2.245 3.698 . 0 0 "[ . 1 . 2]" 1
2220 1 15 G H8 2 45 ILE HA . . 6.000 5.980 5.406 6.220 0.220 19 0 "[ . 1 . 2]" 1
2221 1 15 G H8 2 45 ILE MD . . 5.000 3.588 2.814 4.121 . 0 0 "[ . 1 . 2]" 1
2222 1 15 G H8 2 45 ILE MG . . 5.500 5.517 4.817 5.820 0.320 6 0 "[ . 1 . 2]" 1
2223 1 15 G H8 2 56 PHE H . . 6.000 5.681 5.291 6.024 0.024 20 0 "[ . 1 . 2]" 1
2224 1 15 G H8 2 56 PHE QD . . 6.000 3.086 2.807 3.413 . 0 0 "[ . 1 . 2]" 1
2225 1 15 G H8 2 87 ALA MB . . 6.000 5.665 4.852 5.922 . 0 0 "[ . 1 . 2]" 1
2226 1 15 G H8 2 90 ARG HD2 . . 5.500 5.397 4.288 5.644 0.144 19 0 "[ . 1 . 2]" 1
2227 1 15 G H8 2 90 ARG HD3 . . 5.500 4.486 3.302 5.635 0.135 10 0 "[ . 1 . 2]" 1
2228 1 15 G H8 2 90 ARG HG2 . . 6.000 4.840 3.959 5.401 . 0 0 "[ . 1 . 2]" 1
2229 1 15 G H8 2 90 ARG HG3 . . 6.000 5.368 4.060 6.022 0.022 5 0 "[ . 1 . 2]" 1
2230 1 16 A H1' 2 45 ILE MD . . 6.500 6.657 6.504 6.814 0.314 19 0 "[ . 1 . 2]" 1
2231 1 16 A H1' 2 45 ILE MG . . 6.000 4.595 3.642 6.068 0.068 1 0 "[ . 1 . 2]" 1
2232 1 16 A H2 2 46 PHE HA . . 6.500 6.122 4.266 6.663 0.163 15 0 "[ . 1 . 2]" 1
2233 1 16 A H8 2 45 ILE MD . . 5.500 4.882 3.612 5.602 0.102 9 0 "[ . 1 . 2]" 1
2234 1 16 A H8 2 45 ILE MG . . 5.000 2.569 1.946 3.688 . 0 0 "[ . 1 . 2]" 1
2235 1 23 C H1' 2 101 TYR QD . . 6.000 4.223 2.151 6.035 0.035 19 0 "[ . 1 . 2]" 1
2236 1 23 C H1' 2 101 TYR QE . . 5.000 3.596 1.973 5.020 0.020 11 0 "[ . 1 . 2]" 1
2237 1 23 C H2' 2 101 TYR QD . . 5.000 4.314 3.636 4.896 . 0 0 "[ . 1 . 2]" 1
2238 1 23 C H2' 2 101 TYR QE . . 4.500 2.782 2.307 3.321 . 0 0 "[ . 1 . 2]" 1
2239 1 23 C H3' 2 101 TYR QE . . 5.000 4.546 3.615 5.214 0.214 14 0 "[ . 1 . 2]" 1
2240 1 23 C H5 2 101 TYR QE . . 6.000 5.259 3.674 6.150 0.150 4 0 "[ . 1 . 2]" 1
2241 1 23 C H6 2 101 TYR QD . . 6.000 5.971 5.468 6.131 0.131 12 0 "[ . 1 . 2]" 1
2242 1 23 C H6 2 101 TYR QE . . 5.500 4.564 3.932 5.536 0.036 5 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 62
_Distance_constraint_stats_list.Viol_count 62
_Distance_constraint_stats_list.Viol_total 23.000
_Distance_constraint_stats_list.Viol_max 0.044
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0185
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 G 0.114 0.036 16 0 "[ . 1 . 2]"
1 3 U 0.009 0.008 6 0 "[ . 1 . 2]"
1 11 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 G 0.027 0.023 11 0 "[ . 1 . 2]"
1 21 A 0.009 0.008 6 0 "[ . 1 . 2]"
1 22 C 0.114 0.036 16 0 "[ . 1 . 2]"
2 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 SER 0.053 0.021 9 0 "[ . 1 . 2]"
2 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 ASP 0.001 0.001 19 0 "[ . 1 . 2]"
2 29 LEU 0.015 0.008 19 0 "[ . 1 . 2]"
2 30 ARG 0.001 0.001 19 0 "[ . 1 . 2]"
2 33 PHE 0.015 0.008 19 0 "[ . 1 . 2]"
2 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 65 ALA 0.362 0.032 17 0 "[ . 1 . 2]"
2 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 ARG 0.569 0.044 16 0 "[ . 1 . 2]"
2 68 ALA 0.362 0.032 17 0 "[ . 1 . 2]"
2 69 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 71 LYS 0.569 0.044 16 0 "[ . 1 . 2]"
2 72 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 80 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 83 GLU 0.053 0.021 9 0 "[ . 1 . 2]"
2 85 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 88 THR 0.027 0.023 11 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 G H21 1 22 C O2 . . 2.000 1.799 1.763 1.893 . 0 0 "[ . 1 . 2]" 2
2 1 2 G N2 1 22 C O2 . . 3.000 2.781 2.745 2.837 . 0 0 "[ . 1 . 2]" 2
3 1 2 G H1 1 22 C N3 . . 2.000 1.868 1.841 1.912 . 0 0 "[ . 1 . 2]" 2
4 1 2 G N1 1 22 C N3 . . 3.000 2.867 2.843 2.891 . 0 0 "[ . 1 . 2]" 2
5 1 2 G O6 1 22 C H41 . . 2.000 1.954 1.860 2.036 0.036 16 0 "[ . 1 . 2]" 2
6 1 2 G O6 1 22 C N4 . . 3.000 2.917 2.841 3.004 0.004 2 0 "[ . 1 . 2]" 2
7 1 3 U H3 1 21 A N1 . . 2.000 1.925 1.846 2.008 0.008 6 0 "[ . 1 . 2]" 2
8 1 3 U N3 1 21 A N1 . . 3.000 2.919 2.851 2.982 . 0 0 "[ . 1 . 2]" 2
9 1 3 U O4 1 21 A H61 . . 2.000 1.842 1.794 1.966 . 0 0 "[ . 1 . 2]" 2
10 1 3 U O4 1 21 A N6 . . 3.000 2.842 2.795 2.957 . 0 0 "[ . 1 . 2]" 2
11 2 40 LEU H 2 58 THR O . . 2.400 1.867 1.823 1.909 . 0 0 "[ . 1 . 2]" 2
12 2 40 LEU N 2 58 THR O . . 3.400 2.868 2.826 2.906 . 0 0 "[ . 1 . 2]" 2
13 2 41 ASP O 2 58 THR H . . 2.400 1.907 1.859 2.029 . 0 0 "[ . 1 . 2]" 2
14 2 41 ASP O 2 58 THR N . . 3.400 2.832 2.801 2.865 . 0 0 "[ . 1 . 2]" 2
15 2 43 GLU H 2 56 PHE O . . 2.400 1.921 1.855 2.022 . 0 0 "[ . 1 . 2]" 2
16 2 43 GLU N 2 56 PHE O . . 3.400 2.910 2.852 3.030 . 0 0 "[ . 1 . 2]" 2
17 2 43 GLU O 2 56 PHE H . . 2.400 1.873 1.836 1.914 . 0 0 "[ . 1 . 2]" 2
18 2 43 GLU O 2 56 PHE N . . 3.400 2.858 2.822 2.893 . 0 0 "[ . 1 . 2]" 2
19 2 13 LYS O 2 59 PHE H . . 2.400 1.844 1.791 1.917 . 0 0 "[ . 1 . 2]" 2
20 2 13 LYS O 2 59 PHE N . . 3.400 2.844 2.799 2.902 . 0 0 "[ . 1 . 2]" 2
21 2 15 LEU O 2 57 VAL H . . 2.400 1.929 1.852 2.016 . 0 0 "[ . 1 . 2]" 2
22 2 15 LEU O 2 57 VAL N . . 3.400 2.869 2.818 2.960 . 0 0 "[ . 1 . 2]" 2
23 2 15 LEU H 2 57 VAL O . . 2.400 1.816 1.779 1.865 . 0 0 "[ . 1 . 2]" 2
24 2 15 LEU N 2 57 VAL O . . 3.400 2.786 2.746 2.824 . 0 0 "[ . 1 . 2]" 2
25 2 17 VAL O 2 55 GLY H . . 2.400 1.939 1.846 2.132 . 0 0 "[ . 1 . 2]" 2
26 2 17 VAL O 2 55 GLY N . . 3.400 2.920 2.826 3.113 . 0 0 "[ . 1 . 2]" 2
27 2 17 VAL H 2 55 GLY O . . 2.400 1.911 1.833 2.014 . 0 0 "[ . 1 . 2]" 2
28 2 17 VAL N 2 55 GLY O . . 3.400 2.853 2.810 2.910 . 0 0 "[ . 1 . 2]" 2
29 2 16 HIS H 2 85 ASN O . . 2.400 1.865 1.794 1.987 . 0 0 "[ . 1 . 2]" 2
30 2 16 HIS N 2 85 ASN O . . 3.400 2.787 2.746 2.872 . 0 0 "[ . 1 . 2]" 2
31 2 16 HIS O 2 85 ASN H . . 2.400 1.899 1.841 1.948 . 0 0 "[ . 1 . 2]" 2
32 2 16 HIS O 2 85 ASN N . . 3.400 2.889 2.842 2.939 . 0 0 "[ . 1 . 2]" 2
33 2 18 SER H 2 83 GLU O . . 2.400 2.029 1.889 2.169 . 0 0 "[ . 1 . 2]" 2
34 2 18 SER N 2 83 GLU O . . 3.400 2.988 2.878 3.112 . 0 0 "[ . 1 . 2]" 2
35 2 18 SER O 2 83 GLU H . . 2.400 2.162 1.834 2.421 0.021 9 0 "[ . 1 . 2]" 2
36 2 18 SER O 2 83 GLU N . . 3.400 3.126 2.825 3.360 . 0 0 "[ . 1 . 2]" 2
37 2 77 VAL H 2 80 ARG O . . 2.400 1.962 1.896 2.135 . 0 0 "[ . 1 . 2]" 2
38 2 77 VAL N 2 80 ARG O . . 3.400 2.952 2.889 3.090 . 0 0 "[ . 1 . 2]" 2
39 2 25 ARG O 2 29 LEU H . . 2.400 1.968 1.885 2.078 . 0 0 "[ . 1 . 2]" 2
40 2 25 ARG O 2 29 LEU N . . 3.400 2.920 2.806 3.050 . 0 0 "[ . 1 . 2]" 2
41 2 26 ASP O 2 30 ARG H . . 2.400 2.023 1.862 2.391 . 0 0 "[ . 1 . 2]" 2
42 2 26 ASP O 2 30 ARG N . . 3.400 3.030 2.863 3.401 0.001 19 0 "[ . 1 . 2]" 2
43 2 29 LEU O 2 33 PHE H . . 2.400 2.145 1.871 2.408 0.008 19 0 "[ . 1 . 2]" 2
44 2 29 LEU O 2 33 PHE N . . 3.400 3.135 2.874 3.384 . 0 0 "[ . 1 . 2]" 2
45 2 61 ASN O 2 65 ALA H . . 2.400 2.170 2.045 2.359 . 0 0 "[ . 1 . 2]" 2
46 2 61 ASN O 2 65 ALA N . . 3.400 3.139 3.009 3.329 . 0 0 "[ . 1 . 2]" 2
47 2 65 ALA O 2 68 ALA H . . 2.400 2.418 2.404 2.432 0.032 17 0 "[ . 1 . 2]" 2
48 2 65 ALA O 2 68 ALA N . . 3.400 3.059 3.015 3.096 . 0 0 "[ . 1 . 2]" 2
49 2 65 ALA O 2 69 ARG H . . 2.400 2.031 1.904 2.254 . 0 0 "[ . 1 . 2]" 2
50 2 65 ALA O 2 69 ARG N . . 3.400 3.008 2.900 3.198 . 0 0 "[ . 1 . 2]" 2
51 2 66 ASP O 2 70 GLU H . . 2.400 2.054 1.918 2.287 . 0 0 "[ . 1 . 2]" 2
52 2 66 ASP O 2 70 GLU N . . 3.400 3.045 2.918 3.249 . 0 0 "[ . 1 . 2]" 2
53 2 67 ARG O 2 71 LYS H . . 2.400 2.428 2.417 2.444 0.044 16 0 "[ . 1 . 2]" 2
54 2 67 ARG O 2 71 LYS N . . 3.400 3.341 3.301 3.410 0.010 18 0 "[ . 1 . 2]" 2
55 2 68 ALA O 2 72 LEU H . . 2.400 1.859 1.804 1.939 . 0 0 "[ . 1 . 2]" 2
56 2 68 ALA O 2 72 LEU N . . 3.400 2.866 2.813 2.948 . 0 0 "[ . 1 . 2]" 2
57 1 11 G H1 2 20 ILE O . . 2.400 1.867 1.791 1.928 . 0 0 "[ . 1 . 2]" 2
58 1 11 G N1 2 20 ILE O . . 3.400 2.751 2.705 2.786 . 0 0 "[ . 1 . 2]" 2
59 1 14 U H3 2 86 ASN O . . 2.400 2.092 1.933 2.365 . 0 0 "[ . 1 . 2]" 2
60 1 14 U N3 2 86 ASN O . . 3.400 3.069 2.917 3.361 . 0 0 "[ . 1 . 2]" 2
61 1 15 G H1 2 88 THR O . . 2.400 2.014 1.792 2.423 0.023 11 0 "[ . 1 . 2]" 2
62 1 15 G N1 2 88 THR O . . 3.400 2.876 2.699 3.209 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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