NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617787 |
5msl   |
34082 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5msl
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 921
_Distance_constraint_stats_list.Viol_count 1358
_Distance_constraint_stats_list.Viol_total 1830.393
_Distance_constraint_stats_list.Viol_max 0.667
_Distance_constraint_stats_list.Viol_rms 0.0258
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0674
_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 3 MET 0.641 0.126 13 0 "[ . 1 . 2]"
1 4 ALA 2.246 0.126 13 0 "[ . 1 . 2]"
1 5 LEU 11.687 0.432 1 0 "[ . 1 . 2]"
1 6 HIS 5.881 0.208 9 0 "[ . 1 . 2]"
1 7 TYR 6.978 0.208 9 0 "[ . 1 . 2]"
1 8 TYR 2.516 0.339 10 0 "[ . 1 . 2]"
1 9 CYS 3.732 0.301 10 0 "[ . 1 . 2]"
1 10 ARG 2.366 0.659 7 1 "[ . + 1 . 2]"
1 11 HIS 2.020 0.151 14 0 "[ . 1 . 2]"
1 12 CYS 0.219 0.066 19 0 "[ . 1 . 2]"
1 13 GLY 0.060 0.021 20 0 "[ . 1 . 2]"
1 14 VAL 6.297 0.301 10 0 "[ . 1 . 2]"
1 15 LYS 2.972 0.339 10 0 "[ . 1 . 2]"
1 16 VAL 4.252 0.180 14 0 "[ . 1 . 2]"
1 17 GLY 0.197 0.122 17 0 "[ . 1 . 2]"
1 18 SER 0.542 0.122 17 0 "[ . 1 . 2]"
1 19 LEU 2.780 0.149 1 0 "[ . 1 . 2]"
1 20 GLU 2.904 0.149 1 0 "[ . 1 . 2]"
1 21 SER 2.403 0.432 17 0 "[ . 1 . 2]"
1 22 SER 2.051 0.432 17 0 "[ . 1 . 2]"
1 23 MET 1.762 0.150 2 0 "[ . 1 . 2]"
1 24 VAL 2.340 0.150 2 0 "[ . 1 . 2]"
1 25 SER 0.722 0.145 11 0 "[ . 1 . 2]"
1 26 THR 0.439 0.087 11 0 "[ . 1 . 2]"
1 27 ASP 1.563 0.118 10 0 "[ . 1 . 2]"
1 28 SER 1.481 0.118 10 0 "[ . 1 . 2]"
1 29 LEU 4.064 0.224 17 0 "[ . 1 . 2]"
1 30 GLY 0.602 0.120 5 0 "[ . 1 . 2]"
1 31 PHE 3.576 0.231 2 0 "[ . 1 . 2]"
1 32 GLN 3.406 0.293 20 0 "[ . 1 . 2]"
1 33 HIS 0.266 0.085 9 0 "[ . 1 . 2]"
1 34 LEU 3.353 0.170 1 0 "[ . 1 . 2]"
1 35 THR 2.448 0.143 5 0 "[ . 1 . 2]"
1 36 ASN 0.637 0.143 5 0 "[ . 1 . 2]"
1 37 GLU 2.118 0.432 20 0 "[ . 1 . 2]"
1 38 GLU 1.100 0.130 7 0 "[ . 1 . 2]"
1 39 ARG 1.292 0.145 8 0 "[ . 1 . 2]"
1 40 ASN 0.437 0.102 13 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 0.550 0.109 6 0 "[ . 1 . 2]"
1 44 SER 0.489 0.209 20 0 "[ . 1 . 2]"
1 45 TYR 1.002 0.209 20 0 "[ . 1 . 2]"
1 46 LYS 0.522 0.076 6 0 "[ . 1 . 2]"
1 47 GLU 2.153 0.168 1 0 "[ . 1 . 2]"
1 48 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 1.154 0.164 9 0 "[ . 1 . 2]"
1 51 VAL 6.591 0.432 1 0 "[ . 1 . 2]"
1 52 HIS 0.781 0.070 6 0 "[ . 1 . 2]"
1 53 VAL 3.377 0.159 17 0 "[ . 1 . 2]"
1 54 LEU 0.171 0.042 2 0 "[ . 1 . 2]"
1 55 THR 0.139 0.055 9 0 "[ . 1 . 2]"
1 56 ILE 3.724 0.659 7 1 "[ . + 1 . 2]"
1 57 CYS 0.042 0.042 8 0 "[ . 1 . 2]"
1 58 GLU 0.946 0.150 4 0 "[ . 1 . 2]"
1 59 ASP 0.339 0.150 4 0 "[ . 1 . 2]"
1 60 CYS 1.310 0.326 11 0 "[ . 1 . 2]"
1 61 GLN 10.311 0.667 16 5 "[- * * 1* .+ 2]"
1 62 GLU 8.244 0.516 13 1 "[ . 1 + . 2]"
1 63 ALA 1.924 0.315 18 0 "[ . 1 . 2]"
1 64 LEU 13.066 0.667 16 6 "[* * * 1* - .+ 2]"
1 65 ASP 4.283 0.373 13 0 "[ . 1 . 2]"
1 66 ARG 0.250 0.129 16 0 "[ . 1 . 2]"
1 67 ASN 0.601 0.129 16 0 "[ . 1 . 2]"
1 68 PRO 0.382 0.094 8 0 "[ . 1 . 2]"
1 69 HIS 0.217 0.099 10 0 "[ . 1 . 2]"
1 70 TYR 0.527 0.099 10 0 "[ . 1 . 2]"
1 71 HIS 0.269 0.087 20 0 "[ . 1 . 2]"
1 72 GLU 0.088 0.087 9 0 "[ . 1 . 2]"
1 73 TYR 0.231 0.087 9 0 "[ . 1 . 2]"
1 74 HIS 0.143 0.040 11 0 "[ . 1 . 2]"
1 75 THR 0.012 0.012 5 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 3 MET HA 1 4 ALA H 2.467 . 3.228 2.313 2.093 2.552 . 0 0 "[ . 1 . 2]" 1
2 1 3 MET HB2 1 4 ALA H 2.789 . 3.761 3.328 2.144 3.887 0.126 13 0 "[ . 1 . 2]" 1
3 1 3 MET HB3 1 4 ALA H 2.956 . 4.048 3.223 2.168 4.003 . 0 0 "[ . 1 . 2]" 1
4 1 3 MET HG2 1 4 ALA H 4.391 . 6.801 4.279 1.940 5.292 0.041 5 0 "[ . 1 . 2]" 1
5 1 4 ALA H 1 4 ALA MB 2.674 . 3.567 2.532 2.226 3.001 . 0 0 "[ . 1 . 2]" 1
6 1 4 ALA H 1 5 LEU H 2.978 . 4.086 2.484 1.805 4.175 0.089 1 0 "[ . 1 . 2]" 1
7 1 4 ALA HA 1 5 LEU H 2.587 . 3.424 3.445 2.910 3.536 0.112 5 0 "[ . 1 . 2]" 1
8 1 4 ALA HA 1 5 LEU HG 3.814 . 5.632 5.325 4.361 5.673 0.041 13 0 "[ . 1 . 2]" 1
9 1 4 ALA MB 1 5 LEU H 2.951 . 4.040 2.376 1.825 3.195 0.037 1 0 "[ . 1 . 2]" 1
10 1 4 ALA MB 1 5 LEU HA 3.731 . 5.471 4.065 3.824 4.246 . 0 0 "[ . 1 . 2]" 1
11 1 4 ALA MB 1 5 LEU MD1 3.025 . 4.169 2.168 1.881 4.186 0.017 1 0 "[ . 1 . 2]" 1
12 1 4 ALA MB 1 5 LEU MD2 3.308 . 4.676 4.306 3.798 4.561 . 0 0 "[ . 1 . 2]" 1
13 1 5 LEU H 1 5 LEU HA 2.844 . 3.855 2.934 2.843 2.953 . 0 0 "[ . 1 . 2]" 1
14 1 5 LEU H 1 5 LEU HB2 3.200 . 4.480 2.642 2.458 2.883 . 0 0 "[ . 1 . 2]" 1
15 1 5 LEU H 1 5 LEU HB3 2.990 . 4.107 3.738 3.576 3.831 . 0 0 "[ . 1 . 2]" 1
16 1 5 LEU H 1 5 LEU MD1 3.327 . 4.711 2.361 1.917 3.583 0.026 17 0 "[ . 1 . 2]" 1
17 1 5 LEU H 1 5 LEU MD2 3.667 . 5.348 4.258 2.846 4.562 . 0 0 "[ . 1 . 2]" 1
18 1 5 LEU H 1 5 LEU HG 3.277 . 4.619 3.732 2.003 4.129 . 0 0 "[ . 1 . 2]" 1
19 1 5 LEU HA 1 5 LEU MD1 3.364 . 4.779 3.159 2.887 3.904 . 0 0 "[ . 1 . 2]" 1
20 1 5 LEU HA 1 5 LEU MD2 3.187 . 4.457 3.625 2.235 3.808 . 0 0 "[ . 1 . 2]" 1
21 1 5 LEU HA 1 5 LEU HG 3.668 . 5.350 2.577 2.392 3.361 . 0 0 "[ . 1 . 2]" 1
22 1 5 LEU HA 1 6 HIS H 2.465 . 3.224 2.326 2.200 2.410 . 0 0 "[ . 1 . 2]" 1
23 1 5 LEU HA 1 51 VAL H 3.266 . 4.600 4.202 1.909 4.775 0.175 20 0 "[ . 1 . 2]" 1
24 1 5 LEU HA 1 51 VAL HB 3.254 . 4.578 1.997 1.854 2.370 0.076 8 0 "[ . 1 . 2]" 1
25 1 5 LEU HA 1 51 VAL MG1 3.525 . 5.078 3.074 2.269 4.020 . 0 0 "[ . 1 . 2]" 1
26 1 5 LEU HA 1 51 VAL MG2 3.553 . 5.131 2.054 1.878 2.781 0.097 19 0 "[ . 1 . 2]" 1
27 1 5 LEU HA 1 52 HIS H 3.911 . 5.823 5.580 5.125 5.879 0.056 1 0 "[ . 1 . 2]" 1
28 1 5 LEU HA 1 53 VAL MG2 4.056 . 6.113 4.200 3.358 4.646 . 0 0 "[ . 1 . 2]" 1
29 1 5 LEU HB2 1 5 LEU MD1 2.713 . 3.633 2.220 2.130 2.351 . 0 0 "[ . 1 . 2]" 1
30 1 5 LEU HB2 1 5 LEU MD2 2.905 . 3.960 2.551 2.438 3.174 . 0 0 "[ . 1 . 2]" 1
31 1 5 LEU HB2 1 5 LEU HG 2.923 . 3.991 2.969 2.443 3.015 . 0 0 "[ . 1 . 2]" 1
32 1 5 LEU HB2 1 6 HIS H 3.352 . 4.757 3.684 3.271 3.888 . 0 0 "[ . 1 . 2]" 1
33 1 5 LEU HB2 1 7 TYR QD 3.896 . 5.794 3.426 2.545 3.868 . 0 0 "[ . 1 . 2]" 1
34 1 5 LEU HB2 1 7 TYR QE 3.556 . 5.137 2.561 1.869 3.036 0.106 1 0 "[ . 1 . 2]" 1
35 1 5 LEU HB2 1 51 VAL HA 4.074 . 6.148 6.126 5.431 6.580 0.432 1 0 "[ . 1 . 2]" 1
36 1 5 LEU HB2 1 51 VAL MG2 3.196 . 4.473 4.424 4.187 4.547 0.074 7 0 "[ . 1 . 2]" 1
37 1 5 LEU HB2 1 53 VAL MG2 3.149 . 4.388 2.953 2.607 3.380 . 0 0 "[ . 1 . 2]" 1
38 1 5 LEU HB3 1 5 LEU MD1 2.304 . 2.968 3.092 2.326 3.195 0.227 2 0 "[ . 1 . 2]" 1
39 1 5 LEU HB3 1 5 LEU MD2 2.909 . 3.967 2.229 2.161 2.379 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU HB3 1 6 HIS H 2.896 . 3.944 2.575 2.412 2.795 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU HB3 1 7 TYR QD 3.252 . 4.574 3.664 3.301 4.150 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU HB3 1 7 TYR QE 3.027 . 4.172 3.560 2.915 4.059 . 0 0 "[ . 1 . 2]" 1
43 1 5 LEU MD1 1 5 LEU HG 2.410 . 3.136 2.112 2.102 2.122 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU MD1 1 6 HIS H 3.268 . 4.603 4.692 4.653 4.746 0.143 13 0 "[ . 1 . 2]" 1
45 1 5 LEU MD1 1 7 TYR QE 2.992 . 4.111 3.564 1.892 4.130 0.019 7 0 "[ . 1 . 2]" 1
46 1 5 LEU MD1 1 51 VAL HB 2.903 . 3.956 3.722 3.496 3.991 0.035 6 0 "[ . 1 . 2]" 1
47 1 5 LEU MD2 1 5 LEU HG 2.739 . 3.676 2.126 2.093 2.132 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU MD2 1 6 HIS H 3.189 . 4.460 4.180 3.880 4.397 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU MD2 1 7 TYR QD 3.416 . 4.874 4.552 4.013 5.007 0.133 1 0 "[ . 1 . 2]" 1
50 1 5 LEU MD2 1 7 TYR QE 3.325 . 4.707 3.420 2.413 4.162 . 0 0 "[ . 1 . 2]" 1
51 1 5 LEU MD2 1 51 VAL HA 3.613 . 5.244 3.972 3.018 4.931 . 0 0 "[ . 1 . 2]" 1
52 1 5 LEU MD2 1 51 VAL HB 3.095 . 4.292 2.861 2.312 3.434 . 0 0 "[ . 1 . 2]" 1
53 1 5 LEU HG 1 51 VAL MG1 2.853 . 3.870 2.298 1.903 4.099 0.229 1 0 "[ . 1 . 2]" 1
54 1 6 HIS H 1 6 HIS HB2 3.384 . 4.815 2.481 2.311 2.612 . 0 0 "[ . 1 . 2]" 1
55 1 6 HIS H 1 6 HIS HB3 3.538 . 5.102 3.654 3.554 3.749 . 0 0 "[ . 1 . 2]" 1
56 1 6 HIS H 1 7 TYR QD 3.923 . 5.846 4.175 3.539 4.507 . 0 0 "[ . 1 . 2]" 1
57 1 6 HIS H 1 8 TYR QD 3.788 . 5.582 5.558 5.065 5.668 0.086 19 0 "[ . 1 . 2]" 1
58 1 6 HIS H 1 8 TYR QE 4.083 . 6.167 4.888 4.504 5.631 . 0 0 "[ . 1 . 2]" 1
59 1 6 HIS H 1 51 VAL MG1 3.163 . 4.414 4.116 3.576 4.479 0.065 15 0 "[ . 1 . 2]" 1
60 1 6 HIS H 1 51 VAL MG2 3.131 . 4.356 2.830 2.085 4.433 0.077 5 0 "[ . 1 . 2]" 1
61 1 6 HIS H 1 52 HIS HA 4.068 . 6.137 3.538 2.843 4.098 . 0 0 "[ . 1 . 2]" 1
62 1 6 HIS H 1 53 VAL H 3.654 . 5.323 3.710 3.171 4.130 . 0 0 "[ . 1 . 2]" 1
63 1 6 HIS H 1 53 VAL MG1 3.163 . 4.414 4.459 4.391 4.573 0.159 17 0 "[ . 1 . 2]" 1
64 1 6 HIS H 1 53 VAL MG2 3.653 . 5.321 3.233 2.459 3.654 . 0 0 "[ . 1 . 2]" 1
65 1 6 HIS HA 1 6 HIS HD2 3.609 . 5.237 2.963 2.360 4.064 . 0 0 "[ . 1 . 2]" 1
66 1 6 HIS HA 1 7 TYR H 2.797 . 3.775 2.089 2.018 2.137 . 0 0 "[ . 1 . 2]" 1
67 1 6 HIS HA 1 7 TYR QD 3.398 . 4.841 3.776 3.137 4.208 . 0 0 "[ . 1 . 2]" 1
68 1 6 HIS HB2 1 6 HIS HD2 3.556 . 5.136 3.715 2.821 3.970 . 0 0 "[ . 1 . 2]" 1
69 1 6 HIS HB2 1 7 TYR H 2.997 . 4.120 4.210 4.136 4.328 0.208 9 0 "[ . 1 . 2]" 1
70 1 6 HIS HB2 1 8 TYR QD 3.047 . 4.208 3.962 3.653 4.257 0.049 9 0 "[ . 1 . 2]" 1
71 1 6 HIS HB2 1 8 TYR QE 3.293 . 4.649 2.597 2.340 3.204 . 0 0 "[ . 1 . 2]" 1
72 1 6 HIS HB2 1 53 VAL H 3.857 . 5.717 3.695 2.879 4.396 . 0 0 "[ . 1 . 2]" 1
73 1 6 HIS HB3 1 6 HIS HD2 2.941 . 4.022 3.340 2.787 3.980 . 0 0 "[ . 1 . 2]" 1
74 1 6 HIS HB3 1 7 TYR H 3.871 . 5.744 3.300 3.094 3.409 . 0 0 "[ . 1 . 2]" 1
75 1 6 HIS HB3 1 8 TYR QD 3.232 . 4.537 3.747 3.113 4.217 . 0 0 "[ . 1 . 2]" 1
76 1 6 HIS HB3 1 8 TYR QE 3.250 . 4.570 2.403 2.008 2.829 . 0 0 "[ . 1 . 2]" 1
77 1 6 HIS HB3 1 52 HIS H 4.243 . 6.493 6.522 6.427 6.563 0.070 6 0 "[ . 1 . 2]" 1
78 1 7 TYR H 1 7 TYR HB2 3.769 . 5.545 2.330 2.219 2.514 . 0 0 "[ . 1 . 2]" 1
79 1 7 TYR H 1 7 TYR HB3 3.006 . 4.136 3.572 3.472 3.668 . 0 0 "[ . 1 . 2]" 1
80 1 7 TYR H 1 7 TYR QD 3.264 . 4.596 2.998 2.613 3.355 . 0 0 "[ . 1 . 2]" 1
81 1 7 TYR H 1 8 TYR HA 3.756 . 5.519 5.188 5.033 5.337 . 0 0 "[ . 1 . 2]" 1
82 1 7 TYR H 1 16 VAL MG2 4.006 . 6.012 4.677 4.302 6.005 . 0 0 "[ . 1 . 2]" 1
83 1 7 TYR H 1 17 GLY H 3.975 . 5.950 3.043 2.602 3.507 . 0 0 "[ . 1 . 2]" 1
84 1 7 TYR H 1 55 THR MG 3.814 . 5.633 5.103 4.702 5.664 0.031 9 0 "[ . 1 . 2]" 1
85 1 7 TYR HA 1 7 TYR QD 3.173 . 4.432 2.310 1.914 3.092 0.000 19 0 "[ . 1 . 2]" 1
86 1 7 TYR HA 1 8 TYR H 2.857 . 3.877 2.133 2.102 2.165 . 0 0 "[ . 1 . 2]" 1
87 1 7 TYR HA 1 8 TYR QD 3.369 . 4.788 4.165 3.865 4.541 . 0 0 "[ . 1 . 2]" 1
88 1 7 TYR HA 1 8 TYR QE 4.059 . 6.118 5.351 5.040 5.909 . 0 0 "[ . 1 . 2]" 1
89 1 7 TYR HA 1 53 VAL H 3.198 . 4.476 3.517 3.030 4.166 . 0 0 "[ . 1 . 2]" 1
90 1 7 TYR HA 1 53 VAL HB 3.816 . 5.636 4.101 2.346 4.675 . 0 0 "[ . 1 . 2]" 1
91 1 7 TYR HA 1 55 THR H 3.986 . 5.972 4.632 4.270 4.915 . 0 0 "[ . 1 . 2]" 1
92 1 7 TYR HA 1 55 THR MG 4.064 . 6.128 3.199 2.579 3.880 . 0 0 "[ . 1 . 2]" 1
93 1 7 TYR HB2 1 7 TYR QD 2.775 . 3.738 2.696 2.518 2.765 . 0 0 "[ . 1 . 2]" 1
94 1 7 TYR HB2 1 7 TYR QE 4.419 . 6.860 4.481 4.430 4.508 . 0 0 "[ . 1 . 2]" 1
95 1 7 TYR HB2 1 16 VAL MG1 3.340 . 4.734 4.268 2.469 4.721 . 0 0 "[ . 1 . 2]" 1
96 1 7 TYR HB2 1 16 VAL MG2 3.384 . 4.815 3.201 2.722 3.931 . 0 0 "[ . 1 . 2]" 1
97 1 7 TYR HB2 1 55 THR MG 2.966 . 4.066 3.766 3.375 4.121 0.055 9 0 "[ . 1 . 2]" 1
98 1 7 TYR HB3 1 7 TYR QD 2.825 . 3.822 2.427 2.209 2.644 . 0 0 "[ . 1 . 2]" 1
99 1 7 TYR HB3 1 8 TYR H 3.887 . 5.775 3.460 2.930 3.833 . 0 0 "[ . 1 . 2]" 1
100 1 7 TYR HB3 1 16 VAL H 3.821 . 5.646 3.154 2.796 3.688 . 0 0 "[ . 1 . 2]" 1
101 1 7 TYR HB3 1 16 VAL HB 3.294 . 4.650 2.369 1.916 4.496 0.022 18 0 "[ . 1 . 2]" 1
102 1 7 TYR HB3 1 16 VAL MG1 3.326 . 4.708 3.706 1.854 4.266 0.090 14 0 "[ . 1 . 2]" 1
103 1 7 TYR HB3 1 16 VAL MG2 3.330 . 4.716 2.081 1.897 3.905 0.047 19 0 "[ . 1 . 2]" 1
104 1 7 TYR HB3 1 55 THR H 4.207 . 6.419 4.759 4.257 5.162 . 0 0 "[ . 1 . 2]" 1
105 1 7 TYR HB3 1 55 THR MG 3.166 . 4.419 2.437 2.008 2.812 . 0 0 "[ . 1 . 2]" 1
106 1 7 TYR QD 1 16 VAL MG1 2.832 . 3.835 3.354 2.653 3.647 . 0 0 "[ . 1 . 2]" 1
107 1 7 TYR QD 1 16 VAL MG2 3.364 . 4.778 3.237 3.083 3.408 . 0 0 "[ . 1 . 2]" 1
108 1 7 TYR QD 1 53 VAL H 3.605 . 5.229 4.179 3.668 5.137 . 0 0 "[ . 1 . 2]" 1
109 1 7 TYR QD 1 53 VAL HB 3.078 . 4.262 4.066 2.498 4.383 0.121 15 0 "[ . 1 . 2]" 1
110 1 7 TYR QD 1 53 VAL MG1 3.088 . 4.280 4.034 3.047 4.423 0.143 9 0 "[ . 1 . 2]" 1
111 1 7 TYR QD 1 53 VAL MG2 3.482 . 4.998 2.358 1.877 4.322 0.089 14 0 "[ . 1 . 2]" 1
112 1 7 TYR QD 1 55 THR HB 3.364 . 4.779 4.258 3.304 4.793 0.014 11 0 "[ . 1 . 2]" 1
113 1 7 TYR QD 1 55 THR MG 2.951 . 4.040 2.382 1.857 3.059 0.005 9 0 "[ . 1 . 2]" 1
114 1 7 TYR QE 1 16 VAL MG2 3.398 . 4.842 4.946 4.891 4.998 0.156 18 0 "[ . 1 . 2]" 1
115 1 7 TYR QE 1 51 VAL HB 4.198 . 6.401 5.878 5.275 6.431 0.030 14 0 "[ . 1 . 2]" 1
116 1 7 TYR QE 1 53 VAL HB 3.244 . 4.560 4.334 3.713 4.620 0.060 14 0 "[ . 1 . 2]" 1
117 1 7 TYR QE 1 53 VAL MG1 2.809 . 3.795 3.699 2.814 3.874 0.079 10 0 "[ . 1 . 2]" 1
118 1 7 TYR QE 1 53 VAL MG2 3.314 . 4.687 2.497 2.047 3.949 . 0 0 "[ . 1 . 2]" 1
119 1 7 TYR QE 1 55 THR MG 3.624 . 5.266 3.279 2.956 3.835 . 0 0 "[ . 1 . 2]" 1
120 1 8 TYR H 1 8 TYR HB2 3.766 . 5.539 2.679 2.518 2.851 . 0 0 "[ . 1 . 2]" 1
121 1 8 TYR H 1 8 TYR HB3 3.553 . 5.131 3.795 3.698 3.884 . 0 0 "[ . 1 . 2]" 1
122 1 8 TYR H 1 8 TYR QD 3.127 . 4.350 3.165 2.995 3.380 . 0 0 "[ . 1 . 2]" 1
123 1 8 TYR H 1 9 CYS H 4.142 . 6.287 4.351 4.129 4.433 . 0 0 "[ . 1 . 2]" 1
124 1 8 TYR H 1 16 VAL MG2 3.849 . 5.701 3.612 3.309 5.808 0.107 14 0 "[ . 1 . 2]" 1
125 1 8 TYR H 1 53 VAL HB 3.828 . 5.660 4.767 3.527 5.197 . 0 0 "[ . 1 . 2]" 1
126 1 8 TYR H 1 54 LEU HA 3.375 . 4.799 2.965 2.516 3.320 . 0 0 "[ . 1 . 2]" 1
127 1 8 TYR H 1 55 THR MG 3.683 . 5.379 3.212 2.770 4.020 . 0 0 "[ . 1 . 2]" 1
128 1 8 TYR HA 1 8 TYR QD 3.321 . 4.700 2.708 2.507 2.903 . 0 0 "[ . 1 . 2]" 1
129 1 8 TYR HA 1 9 CYS H 2.834 . 3.838 2.221 2.096 2.303 . 0 0 "[ . 1 . 2]" 1
130 1 8 TYR HA 1 15 LYS HA 3.844 . 5.691 2.414 2.047 2.590 . 0 0 "[ . 1 . 2]" 1
131 1 8 TYR HA 1 16 VAL H 3.324 . 4.705 2.721 2.412 2.968 . 0 0 "[ . 1 . 2]" 1
132 1 8 TYR HA 1 55 THR MG 3.597 . 5.214 4.461 4.092 4.893 . 0 0 "[ . 1 . 2]" 1
133 1 8 TYR HB2 1 8 TYR QD 2.887 . 3.929 2.334 2.282 2.384 . 0 0 "[ . 1 . 2]" 1
134 1 8 TYR HB2 1 9 CYS H 3.934 . 5.868 4.094 3.961 4.197 . 0 0 "[ . 1 . 2]" 1
135 1 8 TYR HB3 1 8 TYR QD 2.679 . 3.576 2.492 2.398 2.595 . 0 0 "[ . 1 . 2]" 1
136 1 8 TYR HB3 1 9 CYS H 3.317 . 4.692 3.126 2.781 3.418 . 0 0 "[ . 1 . 2]" 1
137 1 8 TYR HB3 1 54 LEU MD2 3.653 . 5.321 3.943 2.918 5.353 0.032 15 0 "[ . 1 . 2]" 1
138 1 8 TYR QD 1 9 CYS H 3.923 . 5.847 3.987 3.419 4.352 . 0 0 "[ . 1 . 2]" 1
139 1 8 TYR QD 1 14 VAL H 3.903 . 5.807 5.721 5.528 5.924 0.117 5 0 "[ . 1 . 2]" 1
140 1 8 TYR QD 1 14 VAL MG1 3.955 . 5.910 5.753 5.418 5.950 0.040 19 0 "[ . 1 . 2]" 1
141 1 8 TYR QD 1 15 LYS H 3.834 . 5.672 4.243 3.823 4.991 . 0 0 "[ . 1 . 2]" 1
142 1 8 TYR QD 1 15 LYS HA 3.240 . 4.552 2.675 2.245 3.222 . 0 0 "[ . 1 . 2]" 1
143 1 8 TYR QD 1 15 LYS HB2 3.252 . 4.574 4.567 3.660 4.913 0.339 10 0 "[ . 1 . 2]" 1
144 1 8 TYR QD 1 15 LYS HB3 3.547 . 5.120 3.649 2.292 4.071 . 0 0 "[ . 1 . 2]" 1
145 1 8 TYR QD 1 15 LYS HG2 3.164 . 4.416 2.759 1.933 4.435 0.019 17 0 "[ . 1 . 2]" 1
146 1 8 TYR QD 1 15 LYS HG3 3.717 . 5.444 3.195 1.932 4.378 0.058 16 0 "[ . 1 . 2]" 1
147 1 8 TYR QD 1 16 VAL H 4.023 . 6.046 4.402 4.042 4.970 . 0 0 "[ . 1 . 2]" 1
148 1 8 TYR QE 1 15 LYS HA 4.187 . 6.378 3.874 3.468 4.237 . 0 0 "[ . 1 . 2]" 1
149 1 8 TYR QE 1 15 LYS HB2 3.265 . 4.598 4.389 3.166 4.624 0.026 14 0 "[ . 1 . 2]" 1
150 1 8 TYR QE 1 15 LYS HB3 3.726 . 5.461 3.229 2.175 3.732 . 0 0 "[ . 1 . 2]" 1
151 1 8 TYR QE 1 15 LYS HG2 4.316 . 6.645 2.297 1.962 3.633 0.025 15 0 "[ . 1 . 2]" 1
152 1 8 TYR QE 1 15 LYS HG3 4.115 . 6.232 3.306 1.957 4.533 0.041 16 0 "[ . 1 . 2]" 1
153 1 9 CYS H 1 9 CYS HB2 3.050 . 4.213 2.624 2.143 3.064 . 0 0 "[ . 1 . 2]" 1
154 1 9 CYS H 1 9 CYS HB3 3.066 . 4.241 2.638 2.038 3.054 . 0 0 "[ . 1 . 2]" 1
155 1 9 CYS H 1 10 ARG H 4.121 . 6.244 4.485 4.342 4.546 . 0 0 "[ . 1 . 2]" 1
156 1 9 CYS H 1 12 CYS H 4.034 . 6.068 5.468 4.948 6.134 0.066 19 0 "[ . 1 . 2]" 1
157 1 9 CYS H 1 14 VAL H 3.755 . 5.518 3.192 2.870 3.683 . 0 0 "[ . 1 . 2]" 1
158 1 9 CYS H 1 14 VAL MG1 4.012 . 6.024 3.264 2.505 3.857 . 0 0 "[ . 1 . 2]" 1
159 1 9 CYS H 1 14 VAL MG2 3.502 . 5.035 4.360 4.030 4.733 . 0 0 "[ . 1 . 2]" 1
160 1 9 CYS H 1 15 LYS HA 3.692 . 5.395 3.665 3.133 4.043 . 0 0 "[ . 1 . 2]" 1
161 1 9 CYS H 1 16 VAL H 3.964 . 5.928 3.696 3.341 3.880 . 0 0 "[ . 1 . 2]" 1
162 1 9 CYS H 1 16 VAL MG1 3.992 . 5.984 5.103 2.857 5.539 . 0 0 "[ . 1 . 2]" 1
163 1 9 CYS H 1 16 VAL MG2 3.319 . 4.696 3.109 2.837 4.772 0.076 14 0 "[ . 1 . 2]" 1
164 1 9 CYS HA 1 10 ARG H 2.844 . 3.855 2.069 2.014 2.120 . 0 0 "[ . 1 . 2]" 1
165 1 9 CYS HA 1 11 HIS H 3.766 . 5.539 5.617 5.553 5.690 0.151 14 0 "[ . 1 . 2]" 1
166 1 9 CYS HA 1 14 VAL MG1 4.005 . 6.010 4.047 3.948 4.428 . 0 0 "[ . 1 . 2]" 1
167 1 9 CYS HA 1 14 VAL MG2 3.918 . 5.836 5.795 5.671 5.969 0.133 20 0 "[ . 1 . 2]" 1
168 1 9 CYS HA 1 16 VAL MG1 3.981 . 5.962 4.885 3.037 5.470 . 0 0 "[ . 1 . 2]" 1
169 1 9 CYS HA 1 55 THR H 3.908 . 5.817 2.706 2.440 3.260 . 0 0 "[ . 1 . 2]" 1
170 1 9 CYS HA 1 56 ILE H 3.976 . 5.953 5.030 4.737 5.527 . 0 0 "[ . 1 . 2]" 1
171 1 9 CYS HA 1 56 ILE HA 3.975 . 5.950 3.951 3.648 4.372 . 0 0 "[ . 1 . 2]" 1
172 1 9 CYS HA 1 57 CYS H 3.972 . 5.944 4.027 3.332 5.015 . 0 0 "[ . 1 . 2]" 1
173 1 9 CYS HB2 1 12 CYS H 3.600 . 5.220 4.793 4.512 5.087 . 0 0 "[ . 1 . 2]" 1
174 1 9 CYS HB2 1 13 GLY H 3.380 . 4.808 4.304 4.073 4.816 0.008 14 0 "[ . 1 . 2]" 1
175 1 9 CYS HB2 1 14 VAL H 3.387 . 4.821 3.259 2.937 4.143 . 0 0 "[ . 1 . 2]" 1
176 1 9 CYS HB2 1 14 VAL MG1 3.491 . 5.014 1.967 1.898 2.232 0.070 12 0 "[ . 1 . 2]" 1
177 1 9 CYS HB2 1 14 VAL MG2 3.104 . 4.308 3.870 3.480 4.221 . 0 0 "[ . 1 . 2]" 1
178 1 9 CYS HB2 1 16 VAL MG1 3.683 . 5.379 3.880 2.540 4.229 . 0 0 "[ . 1 . 2]" 1
179 1 9 CYS HB2 1 16 VAL MG2 3.094 . 4.291 2.514 2.264 3.576 . 0 0 "[ . 1 . 2]" 1
180 1 9 CYS HB3 1 10 ARG H 4.078 . 6.157 3.978 3.761 4.492 . 0 0 "[ . 1 . 2]" 1
181 1 9 CYS HB3 1 11 HIS H 4.239 . 6.486 5.261 5.028 5.961 . 0 0 "[ . 1 . 2]" 1
182 1 9 CYS HB3 1 12 CYS H 3.505 . 5.040 3.414 2.984 4.693 . 0 0 "[ . 1 . 2]" 1
183 1 9 CYS HB3 1 13 GLY H 3.650 . 5.315 2.762 2.369 3.288 . 0 0 "[ . 1 . 2]" 1
184 1 9 CYS HB3 1 14 VAL H 3.122 . 4.341 2.194 1.829 2.718 0.074 5 0 "[ . 1 . 2]" 1
185 1 9 CYS HB3 1 14 VAL HA 3.396 . 4.838 4.644 3.830 5.139 0.301 10 0 "[ . 1 . 2]" 1
186 1 9 CYS HB3 1 14 VAL MG1 3.259 . 4.587 2.073 1.872 2.401 0.059 14 0 "[ . 1 . 2]" 1
187 1 10 ARG H 1 10 ARG HB2 3.318 . 4.694 3.164 2.422 3.604 . 0 0 "[ . 1 . 2]" 1
188 1 10 ARG H 1 10 ARG HB3 3.590 . 5.201 2.516 2.252 2.967 . 0 0 "[ . 1 . 2]" 1
189 1 10 ARG H 1 10 ARG HD3 4.009 . 6.018 4.648 4.042 5.803 . 0 0 "[ . 1 . 2]" 1
190 1 10 ARG H 1 10 ARG HG2 3.796 . 5.598 3.227 1.903 4.445 0.091 4 0 "[ . 1 . 2]" 1
191 1 10 ARG H 1 10 ARG HG3 3.334 . 4.723 3.532 2.026 4.597 . 0 0 "[ . 1 . 2]" 1
192 1 10 ARG H 1 11 HIS H 3.434 . 4.908 4.384 4.343 4.456 . 0 0 "[ . 1 . 2]" 1
193 1 10 ARG H 1 54 LEU HA 4.247 . 6.501 4.188 3.772 4.770 . 0 0 "[ . 1 . 2]" 1
194 1 10 ARG H 1 54 LEU MD2 4.048 . 6.096 4.919 3.942 6.121 0.025 19 0 "[ . 1 . 2]" 1
195 1 10 ARG H 1 55 THR H 3.920 . 5.841 3.074 2.716 3.308 . 0 0 "[ . 1 . 2]" 1
196 1 10 ARG H 1 55 THR MG 3.846 . 5.695 4.248 4.006 4.732 . 0 0 "[ . 1 . 2]" 1
197 1 10 ARG H 1 56 ILE HA 3.642 . 5.300 3.617 2.903 4.080 . 0 0 "[ . 1 . 2]" 1
198 1 10 ARG H 1 57 CYS H 3.666 . 5.345 4.509 3.936 5.344 . 0 0 "[ . 1 . 2]" 1
199 1 10 ARG HA 1 10 ARG HB2 2.947 . 4.033 2.445 2.370 2.595 . 0 0 "[ . 1 . 2]" 1
200 1 10 ARG HA 1 10 ARG HB3 2.668 . 3.558 2.682 2.325 3.037 . 0 0 "[ . 1 . 2]" 1
201 1 10 ARG HA 1 10 ARG HD3 3.791 . 5.588 4.850 4.402 5.510 . 0 0 "[ . 1 . 2]" 1
202 1 10 ARG HA 1 11 HIS H 3.686 . 5.385 2.097 2.027 2.170 . 0 0 "[ . 1 . 2]" 1
203 1 10 ARG HA 1 12 CYS H 3.748 . 5.504 4.114 3.567 4.626 . 0 0 "[ . 1 . 2]" 1
204 1 10 ARG HA 1 54 LEU HB3 3.612 . 5.243 3.486 2.750 3.968 . 0 0 "[ . 1 . 2]" 1
205 1 10 ARG HB2 1 10 ARG HD3 3.123 . 4.342 3.167 2.309 4.201 . 0 0 "[ . 1 . 2]" 1
206 1 10 ARG HB2 1 10 ARG HE 3.286 . 4.636 3.776 2.773 4.425 . 0 0 "[ . 1 . 2]" 1
207 1 10 ARG HB2 1 11 HIS H 3.874 . 5.750 3.802 3.325 4.406 . 0 0 "[ . 1 . 2]" 1
208 1 10 ARG HB3 1 10 ARG HD3 3.287 . 4.637 3.096 2.407 3.715 . 0 0 "[ . 1 . 2]" 1
209 1 10 ARG HB3 1 11 HIS H 4.200 . 6.405 4.301 4.122 4.470 . 0 0 "[ . 1 . 2]" 1
210 1 10 ARG HD3 1 56 ILE HG12 3.763 . 5.533 4.736 3.105 6.192 0.659 7 1 "[ . + 1 . 2]" 1
211 1 10 ARG HE 1 10 ARG HG2 3.797 . 5.599 3.084 2.396 3.729 . 0 0 "[ . 1 . 2]" 1
212 1 10 ARG HE 1 10 ARG HG3 3.720 . 5.450 2.768 2.233 3.971 . 0 0 "[ . 1 . 2]" 1
213 1 10 ARG HE 1 11 HIS H 4.215 . 6.436 6.110 4.822 6.543 0.107 18 0 "[ . 1 . 2]" 1
214 1 10 ARG HE 1 11 HIS HB2 3.800 . 5.605 4.822 3.699 5.457 . 0 0 "[ . 1 . 2]" 1
215 1 10 ARG HE 1 11 HIS HB3 3.802 . 5.609 4.702 3.199 5.294 . 0 0 "[ . 1 . 2]" 1
216 1 10 ARG HE 1 56 ILE HB 3.723 . 5.455 5.083 4.429 5.520 0.065 4 0 "[ . 1 . 2]" 1
217 1 10 ARG HE 1 56 ILE MD 3.197 . 4.474 2.876 2.023 3.690 . 0 0 "[ . 1 . 2]" 1
218 1 10 ARG HE 1 56 ILE HG12 3.549 . 5.124 2.949 2.177 3.667 . 0 0 "[ . 1 . 2]" 1
219 1 10 ARG HE 1 56 ILE HG13 3.286 . 4.636 2.639 1.992 3.240 . 0 0 "[ . 1 . 2]" 1
220 1 10 ARG HE 1 56 ILE MG 3.372 . 4.793 4.656 4.020 4.838 0.045 7 0 "[ . 1 . 2]" 1
221 1 10 ARG HE 1 60 CYS HB2 3.596 . 5.212 4.930 4.188 5.538 0.326 11 0 "[ . 1 . 2]" 1
222 1 10 ARG HE 1 64 LEU MD1 3.672 . 5.358 4.384 3.284 5.430 0.072 16 0 "[ . 1 . 2]" 1
223 1 10 ARG HE 1 64 LEU MD2 3.788 . 5.582 4.767 3.460 5.636 0.054 18 0 "[ . 1 . 2]" 1
224 1 10 ARG HG2 1 11 HIS H 3.923 . 5.847 4.473 3.081 5.580 . 0 0 "[ . 1 . 2]" 1
225 1 10 ARG HG3 1 11 HIS H 3.987 . 5.974 4.417 3.702 4.986 . 0 0 "[ . 1 . 2]" 1
226 1 11 HIS H 1 11 HIS HB2 3.317 . 4.692 3.409 3.175 3.633 . 0 0 "[ . 1 . 2]" 1
227 1 11 HIS H 1 11 HIS HB3 3.100 . 4.301 3.708 3.617 3.809 . 0 0 "[ . 1 . 2]" 1
228 1 11 HIS H 1 12 CYS H 3.090 . 4.283 3.115 2.465 3.572 . 0 0 "[ . 1 . 2]" 1
229 1 11 HIS H 1 13 GLY H 3.821 . 5.646 3.546 3.218 3.882 . 0 0 "[ . 1 . 2]" 1
230 1 11 HIS HB2 1 12 CYS H 3.430 . 4.900 4.044 3.746 4.541 . 0 0 "[ . 1 . 2]" 1
231 1 11 HIS HB3 1 12 CYS H 3.283 . 4.630 2.881 2.333 4.061 . 0 0 "[ . 1 . 2]" 1
232 1 12 CYS H 1 12 CYS HB2 2.957 . 4.050 2.857 2.416 3.876 . 0 0 "[ . 1 . 2]" 1
233 1 12 CYS H 1 12 CYS HB3 3.893 . 5.787 3.470 2.515 3.840 . 0 0 "[ . 1 . 2]" 1
234 1 12 CYS H 1 13 GLY H 3.015 . 4.151 2.259 1.858 2.547 0.021 20 0 "[ . 1 . 2]" 1
235 1 12 CYS H 1 13 GLY HA2 3.612 . 5.243 4.511 4.010 4.829 . 0 0 "[ . 1 . 2]" 1
236 1 12 CYS H 1 13 GLY HA3 3.820 . 5.645 4.868 4.375 5.143 . 0 0 "[ . 1 . 2]" 1
237 1 12 CYS HA 1 12 CYS HB2 2.989 . 4.106 2.868 2.318 3.020 . 0 0 "[ . 1 . 2]" 1
238 1 12 CYS HA 1 13 GLY H 3.985 . 5.970 3.485 3.359 3.522 . 0 0 "[ . 1 . 2]" 1
239 1 12 CYS HB2 1 14 VAL H 3.340 . 4.735 2.845 2.192 4.747 0.012 10 0 "[ . 1 . 2]" 1
240 1 12 CYS HB3 1 14 VAL H 3.675 . 5.364 3.446 2.580 4.784 . 0 0 "[ . 1 . 2]" 1
241 1 13 GLY H 1 13 GLY HA2 2.945 . 4.029 2.306 2.283 2.323 . 0 0 "[ . 1 . 2]" 1
242 1 13 GLY H 1 14 VAL H 3.241 . 4.554 2.570 2.447 2.734 . 0 0 "[ . 1 . 2]" 1
243 1 13 GLY HA2 1 14 VAL H 3.545 . 5.116 3.168 2.945 3.326 . 0 0 "[ . 1 . 2]" 1
244 1 13 GLY HA3 1 14 VAL H 3.516 . 5.062 3.380 3.246 3.528 . 0 0 "[ . 1 . 2]" 1
245 1 14 VAL H 1 14 VAL HA 2.358 . 3.053 2.843 2.770 2.927 . 0 0 "[ . 1 . 2]" 1
246 1 14 VAL H 1 14 VAL HB 2.725 . 3.653 2.929 2.759 3.198 . 0 0 "[ . 1 . 2]" 1
247 1 14 VAL H 1 14 VAL MG1 2.668 . 3.558 1.834 1.728 1.964 0.050 17 0 "[ . 1 . 2]" 1
248 1 14 VAL H 1 14 VAL MG2 2.726 . 3.655 3.734 3.657 3.767 0.112 19 0 "[ . 1 . 2]" 1
249 1 14 VAL HA 1 14 VAL HB 2.776 . 3.739 2.338 2.294 2.403 . 0 0 "[ . 1 . 2]" 1
250 1 14 VAL HA 1 14 VAL MG1 2.725 . 3.653 3.177 3.126 3.204 . 0 0 "[ . 1 . 2]" 1
251 1 14 VAL HA 1 14 VAL MG2 2.840 . 3.848 2.474 2.370 2.612 . 0 0 "[ . 1 . 2]" 1
252 1 14 VAL HA 1 15 LYS H 2.358 . 3.053 2.133 2.063 2.210 . 0 0 "[ . 1 . 2]" 1
253 1 14 VAL HB 1 15 LYS H 2.798 . 3.776 3.844 3.757 3.875 0.099 3 0 "[ . 1 . 2]" 1
254 1 14 VAL MG1 1 14 VAL MG2 2.255 . 2.891 2.032 2.004 2.070 . 0 0 "[ . 1 . 2]" 1
255 1 14 VAL MG1 1 15 LYS HA 3.999 . 5.998 4.616 4.285 4.829 . 0 0 "[ . 1 . 2]" 1
256 1 14 VAL MG1 1 16 VAL HA 3.811 . 5.627 4.317 3.801 4.990 . 0 0 "[ . 1 . 2]" 1
257 1 14 VAL MG1 1 16 VAL MG1 2.615 . 3.470 3.391 2.863 3.567 0.097 7 0 "[ . 1 . 2]" 1
258 1 14 VAL MG2 1 16 VAL HA 3.251 . 4.572 3.247 2.936 3.559 . 0 0 "[ . 1 . 2]" 1
259 1 14 VAL MG2 1 16 VAL MG2 2.708 . 3.624 3.262 2.921 3.554 . 0 0 "[ . 1 . 2]" 1
260 1 14 VAL MG2 1 57 CYS HB2 3.588 . 5.198 3.861 3.315 5.240 0.042 8 0 "[ . 1 . 2]" 1
261 1 14 VAL MG2 1 58 GLU H 4.066 . 6.132 5.422 4.787 6.084 . 0 0 "[ . 1 . 2]" 1
262 1 15 LYS H 1 15 LYS HA 2.814 . 3.804 2.880 2.843 2.925 . 0 0 "[ . 1 . 2]" 1
263 1 15 LYS H 1 15 LYS HB2 2.869 . 3.898 2.670 2.433 3.605 . 0 0 "[ . 1 . 2]" 1
264 1 15 LYS H 1 15 LYS HB3 2.862 . 3.886 3.570 3.132 3.667 . 0 0 "[ . 1 . 2]" 1
265 1 15 LYS H 1 15 LYS HG2 3.270 . 4.607 3.463 3.121 3.837 . 0 0 "[ . 1 . 2]" 1
266 1 15 LYS H 1 15 LYS HG3 2.790 . 3.763 2.377 1.771 3.323 0.046 17 0 "[ . 1 . 2]" 1
267 1 15 LYS H 1 16 VAL MG2 3.784 . 5.574 4.770 4.552 5.754 0.180 14 0 "[ . 1 . 2]" 1
268 1 15 LYS HA 1 15 LYS HG2 3.725 . 5.460 3.081 2.579 4.186 . 0 0 "[ . 1 . 2]" 1
269 1 15 LYS HA 1 15 LYS HG3 3.219 . 4.514 3.090 2.486 3.587 . 0 0 "[ . 1 . 2]" 1
270 1 15 LYS HA 1 16 VAL H 2.867 . 3.895 2.180 2.103 2.234 . 0 0 "[ . 1 . 2]" 1
271 1 15 LYS HA 1 16 VAL MG1 3.788 . 5.582 5.131 3.799 5.375 . 0 0 "[ . 1 . 2]" 1
272 1 15 LYS HA 1 16 VAL MG2 3.897 . 5.795 3.541 3.278 5.380 . 0 0 "[ . 1 . 2]" 1
273 1 15 LYS HB2 1 15 LYS HG2 2.681 . 3.580 2.842 2.480 3.012 . 0 0 "[ . 1 . 2]" 1
274 1 15 LYS HB2 1 15 LYS HG3 2.761 . 3.714 2.634 2.376 3.012 . 0 0 "[ . 1 . 2]" 1
275 1 15 LYS HB2 1 16 VAL H 3.874 . 5.750 4.317 3.866 4.434 . 0 0 "[ . 1 . 2]" 1
276 1 15 LYS HB3 1 15 LYS HG2 2.572 . 3.399 2.395 2.272 2.496 . 0 0 "[ . 1 . 2]" 1
277 1 15 LYS HD3 1 15 LYS HG2 2.681 . 3.580 2.549 2.362 3.010 . 0 0 "[ . 1 . 2]" 1
278 1 16 VAL H 1 16 VAL HB 3.120 . 4.337 3.161 2.785 3.375 . 0 0 "[ . 1 . 2]" 1
279 1 16 VAL H 1 16 VAL MG1 3.131 . 4.357 3.523 2.025 3.708 . 0 0 "[ . 1 . 2]" 1
280 1 16 VAL H 1 16 VAL MG2 3.006 . 4.135 1.937 1.806 3.802 0.071 19 0 "[ . 1 . 2]" 1
281 1 16 VAL H 1 17 GLY H 3.511 . 5.052 2.405 2.202 2.539 . 0 0 "[ . 1 . 2]" 1
282 1 16 VAL HA 1 16 VAL HB 2.988 . 4.104 2.873 2.468 2.954 . 0 0 "[ . 1 . 2]" 1
283 1 16 VAL HA 1 16 VAL MG1 2.807 . 3.792 2.207 2.129 3.213 . 0 0 "[ . 1 . 2]" 1
284 1 16 VAL HA 1 16 VAL MG2 2.483 . 3.253 2.855 2.258 3.030 . 0 0 "[ . 1 . 2]" 1
285 1 16 VAL HA 1 17 GLY H 3.181 . 4.446 3.364 3.105 3.519 . 0 0 "[ . 1 . 2]" 1
286 1 16 VAL HA 1 18 SER H 3.615 . 5.249 4.436 3.205 5.268 0.019 7 0 "[ . 1 . 2]" 1
287 1 16 VAL HB 1 16 VAL MG1 2.354 . 3.047 2.119 2.094 2.130 . 0 0 "[ . 1 . 2]" 1
288 1 16 VAL HB 1 17 GLY H 3.109 . 4.317 3.460 2.892 4.346 0.029 14 0 "[ . 1 . 2]" 1
289 1 16 VAL HB 1 55 THR MG 2.968 . 4.069 3.217 2.897 4.094 0.025 14 0 "[ . 1 . 2]" 1
290 1 16 VAL MG1 1 16 VAL MG2 1.965 . 2.448 2.065 2.041 2.082 . 0 0 "[ . 1 . 2]" 1
291 1 16 VAL MG1 1 17 GLY H 3.613 . 5.245 4.267 3.236 4.467 . 0 0 "[ . 1 . 2]" 1
292 1 16 VAL MG1 1 57 CYS H 4.095 . 6.191 4.161 3.928 4.676 . 0 0 "[ . 1 . 2]" 1
293 1 16 VAL MG1 1 57 CYS HB2 4.160 . 6.323 2.760 2.131 4.184 . 0 0 "[ . 1 . 2]" 1
294 1 16 VAL MG1 1 57 CYS HB3 3.833 . 5.669 2.898 2.226 3.373 . 0 0 "[ . 1 . 2]" 1
295 1 16 VAL MG1 1 58 GLU H 3.467 . 4.970 3.350 2.734 5.056 0.086 14 0 "[ . 1 . 2]" 1
296 1 16 VAL MG2 1 17 GLY H 3.488 . 5.008 3.366 2.968 4.209 . 0 0 "[ . 1 . 2]" 1
297 1 16 VAL MG2 1 55 THR MG 2.699 . 3.609 2.137 1.912 3.242 . 0 0 "[ . 1 . 2]" 1
298 1 16 VAL MG2 1 57 CYS H 3.961 . 5.922 3.878 3.549 4.433 . 0 0 "[ . 1 . 2]" 1
299 1 16 VAL MG2 1 57 CYS HB2 3.978 . 5.956 3.656 2.859 4.773 . 0 0 "[ . 1 . 2]" 1
300 1 16 VAL MG2 1 57 CYS HB3 3.435 . 4.910 2.890 2.351 4.009 . 0 0 "[ . 1 . 2]" 1
301 1 17 GLY H 1 17 GLY HA3 2.740 . 3.678 2.512 2.289 2.867 . 0 0 "[ . 1 . 2]" 1
302 1 17 GLY H 1 18 SER H 3.054 . 4.220 2.941 2.123 3.864 . 0 0 "[ . 1 . 2]" 1
303 1 17 GLY H 1 18 SER HB3 3.952 . 5.904 5.169 4.028 6.026 0.122 17 0 "[ . 1 . 2]" 1
304 1 17 GLY HA3 1 18 SER H 2.703 . 3.616 3.270 2.426 3.557 . 0 0 "[ . 1 . 2]" 1
305 1 18 SER H 1 18 SER HB2 3.306 . 4.672 3.159 2.433 3.690 . 0 0 "[ . 1 . 2]" 1
306 1 18 SER H 1 18 SER HB3 3.206 . 4.491 3.379 2.455 3.962 . 0 0 "[ . 1 . 2]" 1
307 1 18 SER HA 1 19 LEU H 3.096 . 4.295 2.295 2.083 2.811 . 0 0 "[ . 1 . 2]" 1
308 1 18 SER HA 1 20 GLU H 3.096 . 4.295 3.483 3.117 4.346 0.051 9 0 "[ . 1 . 2]" 1
309 1 18 SER HB2 1 19 LEU H 3.195 . 4.471 4.259 3.524 4.564 0.093 1 0 "[ . 1 . 2]" 1
310 1 18 SER HB3 1 19 LEU H 3.625 . 5.268 4.099 3.093 4.531 . 0 0 "[ . 1 . 2]" 1
311 1 19 LEU H 1 19 LEU HA 2.588 . 3.425 2.920 2.791 2.950 . 0 0 "[ . 1 . 2]" 1
312 1 19 LEU H 1 19 LEU HB3 3.096 . 4.294 3.119 2.791 3.484 . 0 0 "[ . 1 . 2]" 1
313 1 19 LEU H 1 19 LEU HG 2.956 . 4.048 2.750 1.933 3.612 . 0 0 "[ . 1 . 2]" 1
314 1 19 LEU H 1 20 GLU HA 3.201 . 4.482 4.477 4.136 4.585 0.103 2 0 "[ . 1 . 2]" 1
315 1 19 LEU HA 1 19 LEU HB2 2.821 . 3.816 2.440 2.375 2.493 . 0 0 "[ . 1 . 2]" 1
316 1 19 LEU HA 1 20 GLU H 2.522 . 3.317 3.365 3.267 3.466 0.149 1 0 "[ . 1 . 2]" 1
317 1 19 LEU HB2 1 19 LEU MD1 2.306 . 2.971 2.193 2.149 2.253 . 0 0 "[ . 1 . 2]" 1
318 1 19 LEU HB3 1 19 LEU MD1 2.431 . 3.170 2.635 2.454 3.130 . 0 0 "[ . 1 . 2]" 1
319 1 19 LEU HB3 1 19 LEU MD2 2.425 . 3.160 2.227 2.143 2.322 . 0 0 "[ . 1 . 2]" 1
320 1 19 LEU HB3 1 20 GLU H 3.051 . 4.215 4.089 3.834 4.260 0.045 10 0 "[ . 1 . 2]" 1
321 1 19 LEU MD1 1 19 LEU HG 2.283 . 2.935 2.123 2.115 2.129 . 0 0 "[ . 1 . 2]" 1
322 1 19 LEU MD1 1 20 GLU H 3.017 . 4.155 4.045 2.987 4.239 0.084 10 0 "[ . 1 . 2]" 1
323 1 19 LEU MD1 1 20 GLU HG3 3.543 . 5.112 3.860 2.559 5.118 0.006 1 0 "[ . 1 . 2]" 1
324 1 19 LEU MD2 1 19 LEU HG 2.283 . 2.935 2.129 2.120 2.132 . 0 0 "[ . 1 . 2]" 1
325 1 19 LEU MD2 1 20 GLU H 3.085 . 4.274 2.975 2.141 4.307 0.033 11 0 "[ . 1 . 2]" 1
326 1 19 LEU MD2 1 20 GLU HG3 3.447 . 4.933 3.564 2.374 4.574 . 0 0 "[ . 1 . 2]" 1
327 1 19 LEU HG 1 20 GLU H 2.810 . 3.797 2.571 1.949 2.808 . 0 0 "[ . 1 . 2]" 1
328 1 20 GLU H 1 20 GLU HB2 2.755 . 3.704 2.715 2.365 3.745 0.041 19 0 "[ . 1 . 2]" 1
329 1 20 GLU H 1 20 GLU HB3 2.946 . 4.031 3.552 2.990 3.753 . 0 0 "[ . 1 . 2]" 1
330 1 20 GLU H 1 20 GLU HG3 3.072 . 4.252 2.730 2.085 3.836 . 0 0 "[ . 1 . 2]" 1
331 1 20 GLU HA 1 21 SER H 2.582 . 3.415 2.814 2.161 3.510 0.095 18 0 "[ . 1 . 2]" 1
332 1 21 SER H 1 21 SER HB2 3.053 . 4.218 3.108 2.427 3.774 . 0 0 "[ . 1 . 2]" 1
333 1 21 SER H 1 21 SER HB3 3.095 . 4.292 3.549 2.646 4.107 . 0 0 "[ . 1 . 2]" 1
334 1 21 SER HA 1 24 VAL MG1 3.601 . 5.222 3.481 2.046 5.283 0.061 20 0 "[ . 1 . 2]" 1
335 1 21 SER HB2 1 22 SER H 3.220 . 4.516 3.617 2.266 4.421 . 0 0 "[ . 1 . 2]" 1
336 1 21 SER HB3 1 22 SER H 2.992 . 4.111 4.072 2.751 4.543 0.432 17 0 "[ . 1 . 2]" 1
337 1 22 SER H 1 22 SER HA 2.933 . 4.008 2.780 2.265 2.943 . 0 0 "[ . 1 . 2]" 1
338 1 22 SER H 1 22 SER HB2 3.046 . 4.206 2.818 2.482 3.562 . 0 0 "[ . 1 . 2]" 1
339 1 22 SER H 1 22 SER HB3 2.944 . 4.027 3.345 2.465 3.821 . 0 0 "[ . 1 . 2]" 1
340 1 22 SER HA 1 23 MET H 2.842 . 3.851 3.510 3.164 3.594 . 0 0 "[ . 1 . 2]" 1
341 1 23 MET H 1 23 MET HA 2.948 . 4.034 2.936 2.900 2.952 . 0 0 "[ . 1 . 2]" 1
342 1 23 MET H 1 23 MET HB2 2.908 . 3.965 3.242 2.461 3.988 0.023 15 0 "[ . 1 . 2]" 1
343 1 23 MET H 1 23 MET HB3 3.292 . 4.646 3.372 2.868 3.761 . 0 0 "[ . 1 . 2]" 1
344 1 23 MET H 1 23 MET HG2 3.582 . 5.185 2.845 2.147 3.975 . 0 0 "[ . 1 . 2]" 1
345 1 23 MET H 1 23 MET HG3 2.794 . 3.770 3.147 2.452 3.853 0.083 12 0 "[ . 1 . 2]" 1
346 1 23 MET H 1 24 VAL H 2.934 . 4.010 2.197 1.822 3.893 0.036 15 0 "[ . 1 . 2]" 1
347 1 23 MET H 1 24 VAL HB 3.342 . 4.738 4.406 4.010 4.844 0.106 2 0 "[ . 1 . 2]" 1
348 1 23 MET H 1 24 VAL MG1 3.570 . 5.163 4.535 3.072 5.275 0.112 10 0 "[ . 1 . 2]" 1
349 1 23 MET HA 1 23 MET HB2 2.914 . 3.976 2.700 2.398 3.028 . 0 0 "[ . 1 . 2]" 1
350 1 23 MET HA 1 23 MET HG2 3.287 . 4.638 3.314 2.486 3.834 . 0 0 "[ . 1 . 2]" 1
351 1 23 MET HA 1 23 MET HG3 3.051 . 4.214 3.576 3.045 4.248 0.034 1 0 "[ . 1 . 2]" 1
352 1 23 MET HA 1 24 VAL H 2.771 . 3.731 3.218 2.180 3.580 . 0 0 "[ . 1 . 2]" 1
353 1 23 MET HB2 1 23 MET HG2 2.748 . 3.692 2.899 2.451 3.009 . 0 0 "[ . 1 . 2]" 1
354 1 23 MET HB2 1 23 MET HG3 2.775 . 3.738 2.441 2.352 2.519 . 0 0 "[ . 1 . 2]" 1
355 1 23 MET HB3 1 23 MET HG2 2.752 . 3.698 2.539 2.370 3.007 . 0 0 "[ . 1 . 2]" 1
356 1 23 MET HB3 1 23 MET HG3 2.805 . 3.789 2.899 2.444 3.011 . 0 0 "[ . 1 . 2]" 1
357 1 23 MET HB3 1 24 VAL H 3.097 . 4.296 4.126 2.962 4.446 0.150 2 0 "[ . 1 . 2]" 1
358 1 24 VAL H 1 24 VAL HB 2.940 . 4.020 2.931 2.446 3.824 . 0 0 "[ . 1 . 2]" 1
359 1 24 VAL H 1 24 VAL MG1 2.787 . 3.758 3.176 1.899 3.889 0.131 15 0 "[ . 1 . 2]" 1
360 1 24 VAL H 1 25 SER H 3.224 . 4.523 3.560 2.056 4.557 0.034 12 0 "[ . 1 . 2]" 1
361 1 24 VAL HA 1 24 VAL HB 2.700 . 3.611 2.786 2.401 3.030 . 0 0 "[ . 1 . 2]" 1
362 1 24 VAL HA 1 24 VAL MG1 3.323 . 4.703 2.658 2.215 3.225 . 0 0 "[ . 1 . 2]" 1
363 1 24 VAL HA 1 24 VAL MG2 2.647 . 3.523 2.453 2.316 3.212 . 0 0 "[ . 1 . 2]" 1
364 1 24 VAL HA 1 25 SER H 2.530 . 3.330 2.494 2.111 3.475 0.145 11 0 "[ . 1 . 2]" 1
365 1 24 VAL HB 1 24 VAL MG1 2.342 . 3.027 2.121 2.112 2.126 . 0 0 "[ . 1 . 2]" 1
366 1 24 VAL MG1 1 25 SER H 3.080 . 4.266 3.663 2.677 4.297 0.031 2 0 "[ . 1 . 2]" 1
367 1 25 SER H 1 25 SER HA 2.840 . 3.848 2.811 2.256 2.949 . 0 0 "[ . 1 . 2]" 1
368 1 25 SER H 1 25 SER HB2 3.011 . 4.144 2.946 2.515 4.012 . 0 0 "[ . 1 . 2]" 1
369 1 25 SER H 1 25 SER HB3 3.056 . 4.224 3.330 2.552 3.956 . 0 0 "[ . 1 . 2]" 1
370 1 25 SER HA 1 26 THR H 2.604 . 3.451 2.571 2.106 3.475 0.024 16 0 "[ . 1 . 2]" 1
371 1 25 SER HB2 1 26 THR H 3.265 . 4.597 3.861 1.883 4.456 0.050 19 0 "[ . 1 . 2]" 1
372 1 25 SER HB3 1 26 THR H 3.099 . 4.299 3.945 3.086 4.386 0.087 11 0 "[ . 1 . 2]" 1
373 1 26 THR H 1 26 THR HA 2.672 . 3.565 2.852 2.269 2.944 . 0 0 "[ . 1 . 2]" 1
374 1 26 THR H 1 26 THR HB 3.516 . 5.062 3.107 2.579 3.731 . 0 0 "[ . 1 . 2]" 1
375 1 26 THR H 1 26 THR MG 2.870 . 3.900 2.921 1.978 3.907 0.007 4 0 "[ . 1 . 2]" 1
376 1 26 THR HA 1 27 ASP H 2.575 . 3.404 2.632 2.108 3.468 0.064 19 0 "[ . 1 . 2]" 1
377 1 26 THR HB 1 26 THR MG 2.429 . 3.166 2.135 2.128 2.140 . 0 0 "[ . 1 . 2]" 1
378 1 27 ASP H 1 27 ASP HB3 2.810 . 3.797 3.042 2.359 3.704 . 0 0 "[ . 1 . 2]" 1
379 1 27 ASP H 1 28 SER HB2 3.130 . 4.355 4.293 4.056 4.429 0.074 5 0 "[ . 1 . 2]" 1
380 1 27 ASP H 1 28 SER HB3 3.075 . 4.257 4.309 4.260 4.375 0.118 10 0 "[ . 1 . 2]" 1
381 1 27 ASP HB3 1 28 SER H 2.960 . 4.055 3.487 2.643 4.121 0.066 13 0 "[ . 1 . 2]" 1
382 1 28 SER H 1 28 SER HA 2.790 . 3.763 2.773 2.254 2.942 . 0 0 "[ . 1 . 2]" 1
383 1 28 SER H 1 28 SER HB2 3.029 . 4.176 2.721 2.452 3.330 . 0 0 "[ . 1 . 2]" 1
384 1 28 SER H 1 28 SER HB3 3.027 . 4.173 2.658 2.407 3.429 . 0 0 "[ . 1 . 2]" 1
385 1 29 LEU H 1 29 LEU HA 2.989 . 4.106 2.701 2.241 2.952 . 0 0 "[ . 1 . 2]" 1
386 1 29 LEU H 1 29 LEU HB2 3.122 . 4.341 2.801 2.232 3.604 . 0 0 "[ . 1 . 2]" 1
387 1 29 LEU H 1 29 LEU HB3 2.926 . 3.996 3.574 2.429 4.080 0.084 20 0 "[ . 1 . 2]" 1
388 1 29 LEU H 1 29 LEU MD1 3.582 . 5.186 3.737 2.037 4.710 . 0 0 "[ . 1 . 2]" 1
389 1 29 LEU H 1 29 LEU MD2 3.456 . 4.949 3.856 2.565 4.523 . 0 0 "[ . 1 . 2]" 1
390 1 29 LEU H 1 29 LEU HG 3.011 . 4.144 3.540 2.880 4.343 0.199 15 0 "[ . 1 . 2]" 1
391 1 29 LEU HA 1 29 LEU HB2 2.989 . 4.106 2.890 2.374 3.023 . 0 0 "[ . 1 . 2]" 1
392 1 29 LEU HA 1 29 LEU MD1 2.974 . 4.080 3.418 1.952 3.906 . 0 0 "[ . 1 . 2]" 1
393 1 29 LEU HA 1 29 LEU MD2 2.655 . 3.536 2.713 1.924 3.760 0.224 17 0 "[ . 1 . 2]" 1
394 1 29 LEU HA 1 29 LEU HG 2.985 . 4.099 2.797 2.265 3.264 . 0 0 "[ . 1 . 2]" 1
395 1 29 LEU HA 1 30 GLY H 2.958 . 4.051 2.583 2.101 3.579 . 0 0 "[ . 1 . 2]" 1
396 1 29 LEU HA 1 31 PHE QD 3.925 . 5.850 4.737 2.991 5.762 . 0 0 "[ . 1 . 2]" 1
397 1 29 LEU HA 1 31 PHE QE 4.433 . 6.889 4.911 2.759 6.768 . 0 0 "[ . 1 . 2]" 1
398 1 29 LEU HB2 1 29 LEU MD1 2.555 . 3.371 2.305 2.180 2.432 . 0 0 "[ . 1 . 2]" 1
399 1 29 LEU HB2 1 29 LEU MD2 2.358 . 3.053 2.938 2.252 3.204 0.151 14 0 "[ . 1 . 2]" 1
400 1 29 LEU HB2 1 30 GLY H 3.550 . 5.125 3.773 1.940 4.573 0.035 2 0 "[ . 1 . 2]" 1
401 1 29 LEU HB2 1 31 PHE QD 3.999 . 5.998 3.937 2.172 4.968 . 0 0 "[ . 1 . 2]" 1
402 1 29 LEU HB2 1 31 PHE QE 3.898 . 5.797 3.905 2.149 5.651 . 0 0 "[ . 1 . 2]" 1
403 1 29 LEU HB3 1 29 LEU MD1 2.430 . 3.168 2.668 2.248 3.195 0.027 17 0 "[ . 1 . 2]" 1
404 1 29 LEU HB3 1 29 LEU MD2 2.469 . 3.231 2.301 2.150 2.482 . 0 0 "[ . 1 . 2]" 1
405 1 29 LEU HB3 1 30 GLY H 3.374 . 4.797 3.099 1.931 4.477 0.020 16 0 "[ . 1 . 2]" 1
406 1 29 LEU HB3 1 31 PHE QD 3.438 . 4.915 3.145 1.985 4.571 . 0 0 "[ . 1 . 2]" 1
407 1 29 LEU MD1 1 30 GLY H 3.570 . 5.163 4.522 2.902 5.283 0.120 5 0 "[ . 1 . 2]" 1
408 1 29 LEU MD1 1 31 PHE QD 3.112 . 4.322 3.765 2.415 4.334 0.012 10 0 "[ . 1 . 2]" 1
409 1 29 LEU MD1 1 31 PHE QE 3.342 . 4.738 3.000 1.947 4.775 0.037 10 0 "[ . 1 . 2]" 1
410 1 29 LEU MD2 1 29 LEU HG 2.364 . 3.062 2.123 2.115 2.131 . 0 0 "[ . 1 . 2]" 1
411 1 29 LEU MD2 1 30 GLY H 3.597 . 5.214 3.837 2.287 5.258 0.044 9 0 "[ . 1 . 2]" 1
412 1 29 LEU MD2 1 31 PHE QD 3.209 . 4.496 3.658 1.983 4.516 0.020 20 0 "[ . 1 . 2]" 1
413 1 29 LEU MD2 1 31 PHE QE 3.555 . 5.135 3.297 2.120 4.524 . 0 0 "[ . 1 . 2]" 1
414 1 29 LEU HG 1 30 GLY H 3.618 . 5.255 4.391 3.029 5.269 0.014 4 0 "[ . 1 . 2]" 1
415 1 29 LEU HG 1 31 PHE QD 3.956 . 5.912 4.924 2.133 6.019 0.107 13 0 "[ . 1 . 2]" 1
416 1 30 GLY H 1 30 GLY HA2 2.860 . 3.883 2.740 2.296 2.950 . 0 0 "[ . 1 . 2]" 1
417 1 30 GLY H 1 30 GLY HA3 2.768 . 3.726 2.484 2.288 2.883 . 0 0 "[ . 1 . 2]" 1
418 1 30 GLY H 1 31 PHE H 2.886 . 3.927 3.395 2.274 3.998 0.071 12 0 "[ . 1 . 2]" 1
419 1 30 GLY H 1 46 LYS HA 3.399 . 4.843 4.400 3.225 4.887 0.044 16 0 "[ . 1 . 2]" 1
420 1 30 GLY HA2 1 31 PHE H 3.163 . 4.414 2.573 2.147 3.367 . 0 0 "[ . 1 . 2]" 1
421 1 30 GLY HA2 1 31 PHE QD 4.297 . 6.606 4.505 3.491 5.233 . 0 0 "[ . 1 . 2]" 1
422 1 30 GLY HA3 1 31 PHE H 3.235 . 4.543 3.456 3.092 3.563 . 0 0 "[ . 1 . 2]" 1
423 1 30 GLY HA3 1 31 PHE QD 4.236 . 6.479 4.859 3.693 5.749 . 0 0 "[ . 1 . 2]" 1
424 1 31 PHE H 1 31 PHE HA 2.899 . 3.950 2.818 2.241 2.951 . 0 0 "[ . 1 . 2]" 1
425 1 31 PHE H 1 31 PHE HB2 3.049 . 4.211 3.056 2.061 4.035 . 0 0 "[ . 1 . 2]" 1
426 1 31 PHE H 1 31 PHE HB3 3.158 . 4.405 3.612 3.122 4.062 . 0 0 "[ . 1 . 2]" 1
427 1 31 PHE H 1 31 PHE QD 3.390 . 4.827 3.006 2.153 3.542 . 0 0 "[ . 1 . 2]" 1
428 1 31 PHE H 1 32 GLN H 3.043 . 4.201 3.996 2.611 4.432 0.231 2 0 "[ . 1 . 2]" 1
429 1 31 PHE HA 1 31 PHE QD 3.052 . 4.216 2.870 2.062 3.752 . 0 0 "[ . 1 . 2]" 1
430 1 31 PHE HA 1 31 PHE QE 4.193 . 6.391 4.855 4.166 5.685 . 0 0 "[ . 1 . 2]" 1
431 1 31 PHE HB2 1 31 PHE QD 2.914 . 3.976 2.365 2.248 2.745 . 0 0 "[ . 1 . 2]" 1
432 1 31 PHE HB2 1 31 PHE QE 4.133 . 6.268 4.387 4.350 4.498 . 0 0 "[ . 1 . 2]" 1
433 1 31 PHE HB2 1 33 HIS H 3.549 . 5.124 4.208 3.326 5.209 0.085 9 0 "[ . 1 . 2]" 1
434 1 31 PHE HB2 1 34 LEU MD1 3.470 . 4.975 3.388 1.947 4.302 0.018 3 0 "[ . 1 . 2]" 1
435 1 31 PHE HB3 1 31 PHE QD 2.881 . 3.919 2.499 2.234 2.759 . 0 0 "[ . 1 . 2]" 1
436 1 31 PHE HB3 1 31 PHE QE 4.175 . 6.354 4.426 4.342 4.495 . 0 0 "[ . 1 . 2]" 1
437 1 31 PHE HB3 1 32 GLN H 3.546 . 5.117 2.866 1.906 4.390 0.069 11 0 "[ . 1 . 2]" 1
438 1 31 PHE HB3 1 34 LEU MD1 3.397 . 4.839 3.811 2.315 5.009 0.170 1 0 "[ . 1 . 2]" 1
439 1 31 PHE HB3 1 34 LEU MD2 3.480 . 4.994 3.543 1.844 5.031 0.122 10 0 "[ . 1 . 2]" 1
440 1 31 PHE QD 1 32 GLN H 4.036 . 6.072 3.724 2.211 4.790 . 0 0 "[ . 1 . 2]" 1
441 1 31 PHE QD 1 34 LEU HB2 4.084 . 6.169 3.653 2.263 4.979 . 0 0 "[ . 1 . 2]" 1
442 1 31 PHE QD 1 34 LEU HB3 3.675 . 5.363 3.617 2.380 4.783 . 0 0 "[ . 1 . 2]" 1
443 1 31 PHE QD 1 34 LEU MD1 3.135 . 4.363 3.113 1.876 4.130 0.031 17 0 "[ . 1 . 2]" 1
444 1 31 PHE QD 1 34 LEU MD2 3.327 . 4.711 2.888 1.919 4.426 0.024 17 0 "[ . 1 . 2]" 1
445 1 31 PHE QD 1 35 THR H 4.275 . 6.559 5.832 4.449 6.632 0.073 14 0 "[ . 1 . 2]" 1
446 1 31 PHE QE 1 34 LEU HB3 3.942 . 5.884 5.033 3.822 5.955 0.071 15 0 "[ . 1 . 2]" 1
447 1 31 PHE QE 1 34 LEU MD1 3.472 . 4.979 4.017 2.664 5.081 0.102 11 0 "[ . 1 . 2]" 1
448 1 31 PHE QE 1 34 LEU MD2 3.482 . 4.997 4.069 2.681 5.073 0.076 4 0 "[ . 1 . 2]" 1
449 1 32 GLN H 1 32 GLN HA 2.615 . 3.470 2.875 2.205 2.953 . 0 0 "[ . 1 . 2]" 1
450 1 32 GLN H 1 32 GLN HB2 2.806 . 3.790 3.339 2.525 3.987 0.197 20 0 "[ . 1 . 2]" 1
451 1 32 GLN H 1 32 GLN HB3 3.019 . 4.158 3.438 2.360 3.885 . 0 0 "[ . 1 . 2]" 1
452 1 32 GLN H 1 32 GLN HG3 3.080 . 4.266 3.364 2.211 4.476 0.210 16 0 "[ . 1 . 2]" 1
453 1 32 GLN H 1 34 LEU HB3 3.868 . 5.738 4.943 4.042 5.863 0.125 4 0 "[ . 1 . 2]" 1
454 1 32 GLN HB2 1 32 GLN HE21 4.149 . 6.301 3.468 1.704 4.464 0.293 20 0 "[ . 1 . 2]" 1
455 1 32 GLN HB2 1 33 HIS H 2.890 . 3.934 2.919 1.839 3.927 0.007 11 0 "[ . 1 . 2]" 1
456 1 32 GLN HB2 1 33 HIS HB3 3.955 . 5.910 4.629 3.634 5.729 . 0 0 "[ . 1 . 2]" 1
457 1 32 GLN HB3 1 33 HIS H 3.020 . 4.160 3.433 1.982 4.057 . 0 0 "[ . 1 . 2]" 1
458 1 32 GLN HE21 1 32 GLN HG3 3.052 . 4.217 2.935 2.198 3.515 . 0 0 "[ . 1 . 2]" 1
459 1 32 GLN HE21 1 33 HIS H 4.194 . 6.393 4.802 3.798 6.107 . 0 0 "[ . 1 . 2]" 1
460 1 32 GLN HE22 1 32 GLN HG3 3.894 . 5.790 3.802 3.466 4.071 . 0 0 "[ . 1 . 2]" 1
461 1 32 GLN HG3 1 33 HIS H 3.080 . 4.266 3.045 1.867 4.305 0.039 9 0 "[ . 1 . 2]" 1
462 1 33 HIS H 1 33 HIS HB3 3.463 . 4.962 3.034 2.432 3.823 . 0 0 "[ . 1 . 2]" 1
463 1 33 HIS HB2 1 34 LEU H 3.713 . 5.436 4.510 4.045 4.670 . 0 0 "[ . 1 . 2]" 1
464 1 34 LEU H 1 34 LEU HA 2.837 . 3.843 2.824 2.249 2.943 . 0 0 "[ . 1 . 2]" 1
465 1 34 LEU H 1 34 LEU HB2 3.079 . 4.264 3.228 2.192 3.986 . 0 0 "[ . 1 . 2]" 1
466 1 34 LEU H 1 34 LEU HB3 3.109 . 4.317 3.278 2.412 4.057 . 0 0 "[ . 1 . 2]" 1
467 1 34 LEU H 1 34 LEU MD1 3.374 . 4.797 3.623 1.929 4.854 0.057 7 0 "[ . 1 . 2]" 1
468 1 34 LEU H 1 34 LEU MD2 3.421 . 4.884 3.257 1.930 4.563 0.028 6 0 "[ . 1 . 2]" 1
469 1 34 LEU H 1 34 LEU HG 3.068 . 4.245 3.391 2.041 4.395 0.150 12 0 "[ . 1 . 2]" 1
470 1 34 LEU H 1 35 THR H 3.433 . 4.906 4.030 2.734 4.618 . 0 0 "[ . 1 . 2]" 1
471 1 34 LEU HA 1 34 LEU HB2 2.760 . 3.712 2.645 2.295 3.021 . 0 0 "[ . 1 . 2]" 1
472 1 34 LEU HA 1 34 LEU MD1 3.063 . 4.236 3.372 2.028 4.108 . 0 0 "[ . 1 . 2]" 1
473 1 34 LEU HA 1 34 LEU MD2 3.807 . 5.618 3.373 1.987 4.097 0.009 7 0 "[ . 1 . 2]" 1
474 1 34 LEU HA 1 35 THR H 2.691 . 3.596 2.682 2.034 3.587 . 0 0 "[ . 1 . 2]" 1
475 1 34 LEU HA 1 35 THR MG 4.065 . 6.130 4.539 3.456 5.756 . 0 0 "[ . 1 . 2]" 1
476 1 34 LEU HB2 1 35 THR H 3.255 . 4.579 2.861 1.955 4.338 . 0 0 "[ . 1 . 2]" 1
477 1 34 LEU HB2 1 38 GLU H 3.568 . 5.160 4.314 2.985 5.266 0.106 15 0 "[ . 1 . 2]" 1
478 1 34 LEU HB3 1 35 THR H 3.669 . 5.351 2.991 1.937 4.264 0.050 12 0 "[ . 1 . 2]" 1
479 1 34 LEU MD1 1 34 LEU HG 2.312 . 2.980 2.123 2.106 2.133 . 0 0 "[ . 1 . 2]" 1
480 1 34 LEU MD1 1 35 THR H 3.142 . 4.376 4.008 2.363 4.480 0.104 7 0 "[ . 1 . 2]" 1
481 1 34 LEU MD2 1 34 LEU HG 2.313 . 2.982 2.125 2.114 2.136 . 0 0 "[ . 1 . 2]" 1
482 1 34 LEU MD2 1 35 THR H 3.310 . 4.679 3.925 2.036 4.706 0.027 6 0 "[ . 1 . 2]" 1
483 1 35 THR H 1 35 THR HA 2.961 . 4.057 2.835 2.227 2.949 . 0 0 "[ . 1 . 2]" 1
484 1 35 THR H 1 35 THR HB 3.046 . 4.206 3.264 2.574 3.861 . 0 0 "[ . 1 . 2]" 1
485 1 35 THR H 1 35 THR MG 2.954 . 4.045 3.323 2.217 4.063 0.018 18 0 "[ . 1 . 2]" 1
486 1 35 THR H 1 36 ASN H 3.187 . 4.456 4.108 2.794 4.548 0.092 3 0 "[ . 1 . 2]" 1
487 1 35 THR H 1 38 GLU HB2 2.799 . 3.778 2.596 1.805 3.554 0.015 5 0 "[ . 1 . 2]" 1
488 1 35 THR H 1 38 GLU HB3 2.778 . 3.743 3.308 1.797 3.873 0.130 7 0 "[ . 1 . 2]" 1
489 1 35 THR HA 1 35 THR MG 2.606 . 3.455 2.501 2.166 3.221 . 0 0 "[ . 1 . 2]" 1
490 1 35 THR HA 1 36 ASN H 2.708 . 3.625 2.882 2.388 3.566 . 0 0 "[ . 1 . 2]" 1
491 1 35 THR HA 1 37 GLU H 3.690 . 5.392 4.475 4.151 4.907 . 0 0 "[ . 1 . 2]" 1
492 1 35 THR HA 1 38 GLU H 3.290 . 4.643 4.420 3.529 4.694 0.051 14 0 "[ . 1 . 2]" 1
493 1 35 THR HB 1 36 ASN H 2.810 . 3.797 2.527 1.810 3.614 0.013 16 0 "[ . 1 . 2]" 1
494 1 35 THR MG 1 36 ASN H 3.844 . 5.691 2.620 1.922 3.655 0.075 7 0 "[ . 1 . 2]" 1
495 1 35 THR MG 1 36 ASN HD22 3.690 . 5.392 4.643 3.347 5.535 0.143 5 0 "[ . 1 . 2]" 1
496 1 35 THR MG 1 37 GLU H 2.954 . 4.045 3.503 1.858 4.169 0.124 18 0 "[ . 1 . 2]" 1
497 1 36 ASN H 1 36 ASN HB3 2.926 . 3.996 3.109 2.448 3.638 . 0 0 "[ . 1 . 2]" 1
498 1 36 ASN H 1 37 GLU HG3 3.979 . 5.958 4.715 3.200 5.963 0.005 7 0 "[ . 1 . 2]" 1
499 1 36 ASN HA 1 36 ASN HB3 2.843 . 3.853 2.462 2.350 2.590 . 0 0 "[ . 1 . 2]" 1
500 1 36 ASN HA 1 37 GLU H 2.843 . 3.853 3.483 3.406 3.564 . 0 0 "[ . 1 . 2]" 1
501 1 36 ASN HA 1 39 ARG H 3.213 . 4.503 3.451 2.982 3.923 . 0 0 "[ . 1 . 2]" 1
502 1 36 ASN HA 1 39 ARG HB3 3.689 . 5.390 3.943 2.384 5.408 0.018 18 0 "[ . 1 . 2]" 1
503 1 36 ASN HB3 1 36 ASN HD21 3.044 . 4.203 2.857 2.201 3.503 . 0 0 "[ . 1 . 2]" 1
504 1 36 ASN HB3 1 37 GLU H 3.033 . 4.183 3.872 3.535 4.198 0.015 9 0 "[ . 1 . 2]" 1
505 1 36 ASN HD22 1 37 GLU H 4.106 . 6.213 4.865 3.342 6.221 0.008 15 0 "[ . 1 . 2]" 1
506 1 37 GLU H 1 37 GLU HA 2.976 . 4.083 2.822 2.752 2.877 . 0 0 "[ . 1 . 2]" 1
507 1 37 GLU H 1 37 GLU HB3 2.784 . 3.753 3.106 2.508 3.579 . 0 0 "[ . 1 . 2]" 1
508 1 37 GLU H 1 38 GLU H 3.008 . 4.139 2.622 2.323 2.862 . 0 0 "[ . 1 . 2]" 1
509 1 37 GLU HA 1 37 GLU HB3 2.815 . 3.805 2.384 2.315 2.458 . 0 0 "[ . 1 . 2]" 1
510 1 37 GLU HA 1 37 GLU HG3 2.731 . 3.664 3.573 2.677 4.096 0.432 20 0 "[ . 1 . 2]" 1
511 1 37 GLU HA 1 38 GLU H 2.826 . 3.825 3.510 3.407 3.581 . 0 0 "[ . 1 . 2]" 1
512 1 37 GLU HG3 1 38 GLU H 3.191 . 4.464 3.225 2.079 4.558 0.094 7 0 "[ . 1 . 2]" 1
513 1 38 GLU H 1 38 GLU HA 2.826 . 3.825 2.822 2.742 2.876 . 0 0 "[ . 1 . 2]" 1
514 1 38 GLU H 1 38 GLU HB2 2.917 . 3.980 2.470 2.238 2.704 . 0 0 "[ . 1 . 2]" 1
515 1 38 GLU H 1 38 GLU HB3 2.863 . 3.888 3.010 2.365 3.596 . 0 0 "[ . 1 . 2]" 1
516 1 38 GLU H 1 39 ARG H 2.755 . 3.703 2.605 2.357 2.916 . 0 0 "[ . 1 . 2]" 1
517 1 38 GLU HA 1 38 GLU HG3 3.443 . 4.925 3.120 2.373 3.854 . 0 0 "[ . 1 . 2]" 1
518 1 38 GLU HB2 1 39 ARG H 3.120 . 4.336 3.354 2.389 4.009 . 0 0 "[ . 1 . 2]" 1
519 1 38 GLU HB3 1 39 ARG H 3.242 . 4.556 3.125 2.375 3.948 . 0 0 "[ . 1 . 2]" 1
520 1 38 GLU HG3 1 39 ARG H 3.531 . 5.089 4.705 3.485 5.118 0.029 9 0 "[ . 1 . 2]" 1
521 1 39 ARG H 1 39 ARG HA 2.368 . 3.069 2.815 2.759 2.895 . 0 0 "[ . 1 . 2]" 1
522 1 39 ARG H 1 39 ARG HB2 2.844 . 3.855 2.607 2.301 3.637 . 0 0 "[ . 1 . 2]" 1
523 1 39 ARG H 1 39 ARG HB3 2.977 . 4.085 3.155 2.388 3.638 . 0 0 "[ . 1 . 2]" 1
524 1 39 ARG H 1 39 ARG HD3 4.027 . 6.054 4.728 3.940 5.823 . 0 0 "[ . 1 . 2]" 1
525 1 39 ARG H 1 39 ARG HG2 3.122 . 4.340 3.525 2.137 4.412 0.072 7 0 "[ . 1 . 2]" 1
526 1 39 ARG H 1 39 ARG HG3 3.077 . 4.261 2.976 2.027 4.406 0.145 8 0 "[ . 1 . 2]" 1
527 1 39 ARG HA 1 39 ARG HB3 2.848 . 3.862 2.634 2.419 3.021 . 0 0 "[ . 1 . 2]" 1
528 1 39 ARG HA 1 39 ARG HD3 3.830 . 5.664 4.707 4.320 5.535 . 0 0 "[ . 1 . 2]" 1
529 1 39 ARG HA 1 39 ARG HG2 3.294 . 4.650 2.838 2.328 3.825 . 0 0 "[ . 1 . 2]" 1
530 1 39 ARG HA 1 39 ARG HG3 3.348 . 4.749 3.033 2.489 3.737 . 0 0 "[ . 1 . 2]" 1
531 1 39 ARG HB2 1 39 ARG HE 4.119 . 6.240 3.190 1.976 4.550 0.022 20 0 "[ . 1 . 2]" 1
532 1 39 ARG HB2 1 39 ARG HG2 2.738 . 3.675 3.000 2.964 3.013 . 0 0 "[ . 1 . 2]" 1
533 1 39 ARG HB2 1 40 ASN H 2.854 . 3.872 3.158 2.463 3.974 0.102 13 0 "[ . 1 . 2]" 1
534 1 39 ARG HB3 1 39 ARG HE 4.012 . 6.024 3.340 1.977 4.517 0.023 17 0 "[ . 1 . 2]" 1
535 1 39 ARG HB3 1 39 ARG HG2 2.964 . 4.062 2.449 2.358 2.653 . 0 0 "[ . 1 . 2]" 1
536 1 39 ARG HB3 1 39 ARG HG3 2.604 . 3.452 3.003 2.959 3.014 . 0 0 "[ . 1 . 2]" 1
537 1 39 ARG HB3 1 40 ASN H 2.990 . 4.107 3.400 2.326 4.065 . 0 0 "[ . 1 . 2]" 1
538 1 39 ARG HD3 1 39 ARG HG3 2.834 . 3.838 2.604 2.360 3.017 . 0 0 "[ . 1 . 2]" 1
539 1 39 ARG HE 1 39 ARG HG3 3.650 . 5.316 2.880 2.364 3.671 . 0 0 "[ . 1 . 2]" 1
540 1 40 ASN H 1 40 ASN HA 2.376 . 3.082 2.862 2.824 2.888 . 0 0 "[ . 1 . 2]" 1
541 1 40 ASN H 1 40 ASN HB3 3.039 . 4.194 2.893 2.404 3.634 . 0 0 "[ . 1 . 2]" 1
542 1 40 ASN H 1 40 ASN HD21 4.005 . 6.010 4.440 3.269 4.765 . 0 0 "[ . 1 . 2]" 1
543 1 40 ASN H 1 40 ASN HD22 4.184 . 6.373 5.283 3.949 5.849 . 0 0 "[ . 1 . 2]" 1
544 1 40 ASN HA 1 40 ASN HD21 4.354 . 6.724 3.691 1.923 4.484 0.061 3 0 "[ . 1 . 2]" 1
545 1 40 ASN HB3 1 40 ASN HD21 3.048 . 4.209 2.555 2.199 3.529 . 0 0 "[ . 1 . 2]" 1
546 1 40 ASN HB3 1 41 ASP H 3.444 . 4.926 3.085 2.446 4.018 . 0 0 "[ . 1 . 2]" 1
547 1 41 ASP H 1 41 ASP HA 2.716 . 3.638 2.860 2.815 2.882 . 0 0 "[ . 1 . 2]" 1
548 1 41 ASP H 1 41 ASP HB3 2.823 . 3.819 2.778 2.327 3.602 . 0 0 "[ . 1 . 2]" 1
549 1 41 ASP HA 1 41 ASP HB3 2.351 . 3.042 2.881 2.500 3.026 . 0 0 "[ . 1 . 2]" 1
550 1 41 ASP HB3 1 42 MET H 3.115 . 4.328 2.898 2.270 4.103 . 0 0 "[ . 1 . 2]" 1
551 1 42 MET H 1 42 MET HA 2.561 . 3.381 2.889 2.809 2.955 . 0 0 "[ . 1 . 2]" 1
552 1 42 MET H 1 42 MET HB3 2.826 . 3.824 2.947 2.401 3.729 . 0 0 "[ . 1 . 2]" 1
553 1 42 MET H 1 42 MET HG2 3.594 . 5.208 3.989 2.215 4.832 . 0 0 "[ . 1 . 2]" 1
554 1 42 MET H 1 42 MET HG3 3.558 . 5.140 3.943 1.979 4.740 . 0 0 "[ . 1 . 2]" 1
555 1 42 MET H 1 43 ILE HB 3.998 . 5.996 5.097 4.426 5.666 . 0 0 "[ . 1 . 2]" 1
556 1 42 MET HA 1 42 MET HB3 2.738 . 3.675 2.783 2.437 3.027 . 0 0 "[ . 1 . 2]" 1
557 1 42 MET HA 1 43 ILE H 2.730 . 3.661 3.357 2.991 3.582 . 0 0 "[ . 1 . 2]" 1
558 1 42 MET HB3 1 42 MET HG3 2.854 . 3.872 2.687 2.396 3.010 . 0 0 "[ . 1 . 2]" 1
559 1 42 MET HG2 1 43 ILE H 4.035 . 6.071 4.724 3.213 5.930 . 0 0 "[ . 1 . 2]" 1
560 1 43 ILE H 1 43 ILE HB 2.858 . 3.879 3.037 2.363 3.716 . 0 0 "[ . 1 . 2]" 1
561 1 43 ILE H 1 43 ILE MD 3.579 . 5.180 3.965 2.431 5.088 . 0 0 "[ . 1 . 2]" 1
562 1 43 ILE H 1 43 ILE HG12 3.606 . 5.231 3.754 2.264 4.821 . 0 0 "[ . 1 . 2]" 1
563 1 43 ILE H 1 43 ILE HG13 3.372 . 4.793 3.747 2.108 4.802 0.009 17 0 "[ . 1 . 2]" 1
564 1 43 ILE H 1 43 ILE MG 3.217 . 4.510 3.422 2.090 4.132 . 0 0 "[ . 1 . 2]" 1
565 1 43 ILE HA 1 43 ILE HB 2.984 . 4.097 2.830 2.365 3.028 . 0 0 "[ . 1 . 2]" 1
566 1 43 ILE HA 1 43 ILE MD 2.940 . 4.020 3.220 1.876 3.907 . 0 0 "[ . 1 . 2]" 1
567 1 43 ILE HA 1 43 ILE HG12 3.695 . 5.402 2.948 2.500 3.684 . 0 0 "[ . 1 . 2]" 1
568 1 43 ILE HA 1 43 ILE HG13 3.497 . 5.026 3.007 2.343 3.738 . 0 0 "[ . 1 . 2]" 1
569 1 43 ILE HA 1 43 ILE MG 2.976 . 4.083 2.684 2.279 3.238 . 0 0 "[ . 1 . 2]" 1
570 1 43 ILE HA 1 44 SER H 2.715 . 3.637 2.792 2.083 3.571 . 0 0 "[ . 1 . 2]" 1
571 1 43 ILE HB 1 43 ILE MD 2.851 . 3.867 2.629 2.370 3.240 . 0 0 "[ . 1 . 2]" 1
572 1 43 ILE HB 1 43 ILE HG13 2.856 . 3.876 2.523 2.412 3.026 . 0 0 "[ . 1 . 2]" 1
573 1 43 ILE HB 1 44 SER H 3.501 . 5.034 3.368 1.916 4.427 0.052 11 0 "[ . 1 . 2]" 1
574 1 43 ILE HB 1 45 TYR H 3.677 . 5.367 4.166 2.603 5.401 0.034 5 0 "[ . 1 . 2]" 1
575 1 43 ILE HG12 1 43 ILE MG 2.886 . 3.927 2.582 2.248 3.204 . 0 0 "[ . 1 . 2]" 1
576 1 43 ILE HG12 1 45 TYR H 3.981 . 5.962 4.996 2.488 6.017 0.055 11 0 "[ . 1 . 2]" 1
577 1 43 ILE HG13 1 43 ILE MG 2.841 . 3.850 2.908 2.214 3.211 . 0 0 "[ . 1 . 2]" 1
578 1 43 ILE MG 1 44 SER HB3 3.702 . 5.415 4.535 2.849 5.424 0.009 19 0 "[ . 1 . 2]" 1
579 1 43 ILE MG 1 45 TYR H 3.131 . 4.356 3.369 1.886 4.465 0.109 6 0 "[ . 1 . 2]" 1
580 1 44 SER H 1 44 SER HB3 3.019 . 4.158 3.641 2.710 4.172 0.014 2 0 "[ . 1 . 2]" 1
581 1 44 SER HB3 1 45 TYR HB2 4.097 . 6.195 5.624 3.920 6.404 0.209 20 0 "[ . 1 . 2]" 1
582 1 45 TYR H 1 45 TYR HA 2.452 . 3.204 2.697 2.247 2.949 . 0 0 "[ . 1 . 2]" 1
583 1 45 TYR H 1 45 TYR HB2 3.126 . 4.348 3.300 2.626 4.001 . 0 0 "[ . 1 . 2]" 1
584 1 45 TYR H 1 45 TYR HB3 3.395 . 4.835 3.007 2.289 3.736 . 0 0 "[ . 1 . 2]" 1
585 1 45 TYR H 1 45 TYR QD 3.355 . 4.762 3.880 1.931 4.521 0.017 2 0 "[ . 1 . 2]" 1
586 1 45 TYR HA 1 45 TYR HB2 2.746 . 3.689 2.455 2.351 2.632 . 0 0 "[ . 1 . 2]" 1
587 1 45 TYR HA 1 45 TYR QD 3.065 . 4.239 2.898 2.117 3.754 . 0 0 "[ . 1 . 2]" 1
588 1 45 TYR HA 1 45 TYR QE 3.855 . 5.713 4.867 4.322 5.673 . 0 0 "[ . 1 . 2]" 1
589 1 45 TYR HA 1 46 LYS H 2.554 . 3.369 2.500 2.073 3.445 0.076 6 0 "[ . 1 . 2]" 1
590 1 45 TYR HB2 1 45 TYR QD 2.635 . 3.503 2.502 2.317 2.729 . 0 0 "[ . 1 . 2]" 1
591 1 45 TYR HB2 1 45 TYR QE 4.211 . 6.428 4.441 4.387 4.511 . 0 0 "[ . 1 . 2]" 1
592 1 45 TYR HB2 1 46 LYS H 3.319 . 4.696 3.674 1.902 4.451 0.040 17 0 "[ . 1 . 2]" 1
593 1 45 TYR HB3 1 45 TYR QD 2.836 . 3.842 2.366 2.277 2.704 . 0 0 "[ . 1 . 2]" 1
594 1 45 TYR QD 1 46 LYS HB2 3.880 . 5.762 4.270 2.341 5.798 0.036 10 0 "[ . 1 . 2]" 1
595 1 45 TYR QE 1 46 LYS HB2 4.190 . 6.384 4.846 3.595 6.406 0.022 4 0 "[ . 1 . 2]" 1
596 1 46 LYS H 1 46 LYS HB2 3.169 . 4.424 2.587 2.209 3.665 . 0 0 "[ . 1 . 2]" 1
597 1 46 LYS H 1 46 LYS HB3 3.257 . 4.583 3.538 2.618 3.872 . 0 0 "[ . 1 . 2]" 1
598 1 46 LYS H 1 46 LYS HD3 3.465 . 4.966 3.970 1.906 5.006 0.058 12 0 "[ . 1 . 2]" 1
599 1 46 LYS HA 1 46 LYS HB3 2.944 . 4.027 2.487 2.363 2.658 . 0 0 "[ . 1 . 2]" 1
600 1 46 LYS HA 1 46 LYS HG3 3.154 . 4.398 3.340 2.400 3.864 . 0 0 "[ . 1 . 2]" 1
601 1 46 LYS HB2 1 46 LYS HG3 2.943 . 4.026 2.489 2.310 3.015 . 0 0 "[ . 1 . 2]" 1
602 1 46 LYS HB2 1 47 GLU H 3.627 . 5.271 4.036 1.988 4.500 . 0 0 "[ . 1 . 2]" 1
603 1 46 LYS HB3 1 46 LYS HG3 3.000 . 4.125 2.743 2.387 3.012 . 0 0 "[ . 1 . 2]" 1
604 1 46 LYS HB3 1 47 GLU H 3.579 . 5.180 3.396 1.927 4.307 0.051 7 0 "[ . 1 . 2]" 1
605 1 46 LYS HD3 1 46 LYS HE3 2.685 . 3.586 2.738 2.349 3.017 . 0 0 "[ . 1 . 2]" 1
606 1 47 GLU H 1 47 GLU HB3 3.173 . 4.432 2.939 2.451 3.593 . 0 0 "[ . 1 . 2]" 1
607 1 47 GLU HA 1 47 GLU HB3 2.627 . 3.490 2.798 2.234 3.027 . 0 0 "[ . 1 . 2]" 1
608 1 47 GLU HA 1 47 GLU HG3 2.707 . 3.623 2.954 2.469 3.711 0.088 12 0 "[ . 1 . 2]" 1
609 1 47 GLU HB3 1 47 GLU HG3 2.219 . 2.835 2.783 2.415 3.003 0.168 1 0 "[ . 1 . 2]" 1
610 1 48 ASN H 1 48 ASN HA 2.612 . 3.465 2.872 2.791 2.946 . 0 0 "[ . 1 . 2]" 1
611 1 48 ASN H 1 48 ASN HB2 3.458 . 4.952 2.656 2.288 3.634 . 0 0 "[ . 1 . 2]" 1
612 1 48 ASN HA 1 48 ASN HB2 2.693 . 3.599 2.772 2.369 3.028 . 0 0 "[ . 1 . 2]" 1
613 1 48 ASN HA 1 49 GLY H 2.879 . 3.915 3.312 3.037 3.461 . 0 0 "[ . 1 . 2]" 1
614 1 48 ASN HB2 1 48 ASN HD21 3.307 . 4.674 2.879 2.167 3.519 . 0 0 "[ . 1 . 2]" 1
615 1 48 ASN HB3 1 48 ASN HD21 3.273 . 4.612 2.773 2.211 3.498 . 0 0 "[ . 1 . 2]" 1
616 1 48 ASN HB3 1 48 ASN HD22 3.533 . 5.093 3.725 3.469 4.068 . 0 0 "[ . 1 . 2]" 1
617 1 49 GLY H 1 49 GLY HA2 2.921 . 3.988 2.330 2.302 2.399 . 0 0 "[ . 1 . 2]" 1
618 1 49 GLY H 1 49 GLY HA3 2.696 . 3.605 2.895 2.862 2.940 . 0 0 "[ . 1 . 2]" 1
619 1 49 GLY H 1 50 ASP H 2.922 . 3.989 2.708 2.244 3.194 . 0 0 "[ . 1 . 2]" 1
620 1 49 GLY HA2 1 50 ASP H 3.217 . 4.510 3.272 2.879 3.523 . 0 0 "[ . 1 . 2]" 1
621 1 49 GLY HA3 1 50 ASP H 3.206 . 4.491 3.154 2.754 3.484 . 0 0 "[ . 1 . 2]" 1
622 1 50 ASP H 1 50 ASP HB2 3.116 . 4.330 3.045 2.348 3.627 . 0 0 "[ . 1 . 2]" 1
623 1 50 ASP H 1 50 ASP HB3 2.634 . 3.501 3.411 2.474 3.665 0.164 9 0 "[ . 1 . 2]" 1
624 1 50 ASP HA 1 50 ASP HB2 2.935 . 4.012 2.557 2.383 3.020 . 0 0 "[ . 1 . 2]" 1
625 1 50 ASP HA 1 51 VAL H 2.796 . 3.773 2.623 2.123 3.605 . 0 0 "[ . 1 . 2]" 1
626 1 50 ASP HB2 1 51 VAL H 3.419 . 4.880 4.131 3.479 4.609 . 0 0 "[ . 1 . 2]" 1
627 1 50 ASP HB2 1 51 VAL MG2 3.738 . 5.484 5.095 4.284 5.567 0.083 11 0 "[ . 1 . 2]" 1
628 1 50 ASP HB3 1 51 VAL H 3.493 . 5.018 3.660 1.935 4.473 0.033 4 0 "[ . 1 . 2]" 1
629 1 51 VAL H 1 51 VAL HB 2.703 . 3.616 3.439 2.757 3.643 0.027 8 0 "[ . 1 . 2]" 1
630 1 51 VAL H 1 51 VAL MG1 3.016 . 4.153 3.088 2.364 3.940 . 0 0 "[ . 1 . 2]" 1
631 1 51 VAL H 1 51 VAL MG2 3.479 . 4.992 2.019 1.814 2.652 0.152 11 0 "[ . 1 . 2]" 1
632 1 51 VAL H 1 52 HIS H 3.866 . 5.735 4.077 3.815 4.340 . 0 0 "[ . 1 . 2]" 1
633 1 51 VAL HA 1 51 VAL MG1 2.890 . 3.934 2.238 2.156 2.318 . 0 0 "[ . 1 . 2]" 1
634 1 51 VAL HA 1 51 VAL MG2 3.055 . 4.222 3.047 2.401 3.220 . 0 0 "[ . 1 . 2]" 1
635 1 51 VAL HA 1 52 HIS H 2.783 . 3.751 2.164 2.087 2.235 . 0 0 "[ . 1 . 2]" 1
636 1 51 VAL HB 1 52 HIS H 3.975 . 5.950 3.948 3.574 4.303 . 0 0 "[ . 1 . 2]" 1
637 1 51 VAL MG2 1 52 HIS H 3.164 . 4.416 4.298 4.169 4.383 . 0 0 "[ . 1 . 2]" 1
638 1 51 VAL MG2 1 52 HIS HB2 4.218 . 6.442 5.441 4.818 6.325 . 0 0 "[ . 1 . 2]" 1
639 1 51 VAL MG2 1 52 HIS HB3 4.220 . 6.446 5.970 5.044 6.404 . 0 0 "[ . 1 . 2]" 1
640 1 52 HIS H 1 52 HIS HB2 3.428 . 4.897 2.988 2.462 3.867 . 0 0 "[ . 1 . 2]" 1
641 1 52 HIS H 1 52 HIS HB3 3.339 . 4.733 2.714 2.478 3.310 . 0 0 "[ . 1 . 2]" 1
642 1 52 HIS HA 1 53 VAL H 2.982 . 4.093 2.185 2.106 2.239 . 0 0 "[ . 1 . 2]" 1
643 1 52 HIS HB2 1 52 HIS HD2 3.258 . 4.585 3.720 2.757 3.982 . 0 0 "[ . 1 . 2]" 1
644 1 52 HIS HB3 1 52 HIS HD2 3.363 . 4.776 3.230 2.865 3.974 . 0 0 "[ . 1 . 2]" 1
645 1 52 HIS HD2 1 54 LEU MD1 3.550 . 5.125 3.893 2.171 4.685 . 0 0 "[ . 1 . 2]" 1
646 1 52 HIS HD2 1 54 LEU MD2 3.129 . 4.352 3.076 2.087 4.394 0.042 2 0 "[ . 1 . 2]" 1
647 1 53 VAL H 1 53 VAL HB 3.375 . 4.799 3.465 2.375 3.779 . 0 0 "[ . 1 . 2]" 1
648 1 53 VAL H 1 53 VAL MG1 3.205 . 4.489 3.155 2.877 3.745 . 0 0 "[ . 1 . 2]" 1
649 1 53 VAL H 1 53 VAL MG2 3.264 . 4.596 2.152 1.916 3.087 0.016 1 0 "[ . 1 . 2]" 1
650 1 53 VAL H 1 54 LEU H 3.658 . 5.330 4.387 4.214 4.474 . 0 0 "[ . 1 . 2]" 1
651 1 53 VAL HA 1 53 VAL MG1 2.926 . 3.996 2.331 2.214 2.615 . 0 0 "[ . 1 . 2]" 1
652 1 53 VAL HA 1 53 VAL MG2 2.984 . 4.097 3.001 2.253 3.194 . 0 0 "[ . 1 . 2]" 1
653 1 53 VAL HA 1 54 LEU H 2.691 . 3.596 2.165 2.104 2.226 . 0 0 "[ . 1 . 2]" 1
654 1 53 VAL HA 1 54 LEU MD1 3.640 . 5.296 4.819 3.345 5.305 0.009 6 0 "[ . 1 . 2]" 1
655 1 53 VAL HB 1 54 LEU H 3.832 . 5.668 3.330 2.862 4.420 . 0 0 "[ . 1 . 2]" 1
656 1 53 VAL MG1 1 53 VAL MG2 2.179 . 2.773 2.054 2.031 2.085 . 0 0 "[ . 1 . 2]" 1
657 1 53 VAL MG2 1 54 LEU H 3.671 . 5.355 3.993 3.809 4.220 . 0 0 "[ . 1 . 2]" 1
658 1 54 LEU H 1 54 LEU HB2 3.563 . 5.150 2.524 2.299 2.736 . 0 0 "[ . 1 . 2]" 1
659 1 54 LEU H 1 54 LEU HB3 3.218 . 4.512 3.665 3.532 3.745 . 0 0 "[ . 1 . 2]" 1
660 1 54 LEU H 1 54 LEU MD2 3.088 . 4.280 3.009 1.937 4.078 . 0 0 "[ . 1 . 2]" 1
661 1 54 LEU H 1 54 LEU HG 3.207 . 4.492 3.211 2.391 4.307 . 0 0 "[ . 1 . 2]" 1
662 1 54 LEU H 1 55 THR H 3.571 . 5.165 4.384 4.249 4.501 . 0 0 "[ . 1 . 2]" 1
663 1 54 LEU H 1 55 THR HB 3.615 . 5.248 4.922 4.732 5.076 . 0 0 "[ . 1 . 2]" 1
664 1 54 LEU HA 1 54 LEU MD1 3.762 . 5.531 3.145 1.976 3.902 0.017 2 0 "[ . 1 . 2]" 1
665 1 54 LEU HA 1 54 LEU MD2 2.897 . 3.946 2.505 1.989 3.795 . 0 0 "[ . 1 . 2]" 1
666 1 54 LEU HA 1 54 LEU HG 3.899 . 5.799 3.366 2.510 3.784 . 0 0 "[ . 1 . 2]" 1
667 1 54 LEU HA 1 55 THR H 2.793 . 3.768 2.147 2.102 2.213 . 0 0 "[ . 1 . 2]" 1
668 1 54 LEU HA 1 55 THR MG 3.597 . 5.214 3.694 3.482 3.849 . 0 0 "[ . 1 . 2]" 1
669 1 54 LEU HB2 1 54 LEU MD1 2.939 . 4.019 2.644 2.307 3.211 . 0 0 "[ . 1 . 2]" 1
670 1 54 LEU HB2 1 54 LEU MD2 2.896 . 3.945 2.844 2.223 3.204 . 0 0 "[ . 1 . 2]" 1
671 1 54 LEU HB2 1 55 THR H 3.735 . 5.479 4.213 3.924 4.440 . 0 0 "[ . 1 . 2]" 1
672 1 54 LEU HB3 1 54 LEU MD1 2.905 . 3.960 2.438 2.323 3.207 . 0 0 "[ . 1 . 2]" 1
673 1 54 LEU HB3 1 54 LEU MD2 2.912 . 3.972 2.667 2.325 3.219 . 0 0 "[ . 1 . 2]" 1
674 1 54 LEU HB3 1 55 THR H 3.963 . 5.927 3.385 3.048 3.621 . 0 0 "[ . 1 . 2]" 1
675 1 54 LEU MD1 1 55 THR H 4.062 . 6.124 4.530 3.477 5.291 . 0 0 "[ . 1 . 2]" 1
676 1 54 LEU MD2 1 55 THR H 3.488 . 5.009 4.171 3.622 5.018 0.009 1 0 "[ . 1 . 2]" 1
677 1 54 LEU HG 1 55 THR H 4.011 . 6.022 5.231 4.053 5.539 . 0 0 "[ . 1 . 2]" 1
678 1 55 THR H 1 55 THR HB 4.013 . 6.026 3.181 3.007 3.362 . 0 0 "[ . 1 . 2]" 1
679 1 55 THR H 1 55 THR MG 3.114 . 4.326 2.294 2.040 2.510 . 0 0 "[ . 1 . 2]" 1
680 1 55 THR HA 1 55 THR MG 3.664 . 5.342 3.210 3.205 3.220 . 0 0 "[ . 1 . 2]" 1
681 1 55 THR HB 1 55 THR MG 2.738 . 3.675 2.130 2.126 2.132 . 0 0 "[ . 1 . 2]" 1
682 1 55 THR HB 1 56 ILE H 3.669 . 5.352 3.614 3.506 3.823 . 0 0 "[ . 1 . 2]" 1
683 1 55 THR MG 1 56 ILE H 3.038 . 4.191 2.873 2.611 3.538 . 0 0 "[ . 1 . 2]" 1
684 1 55 THR MG 1 57 CYS HA 3.340 . 4.734 3.937 3.572 4.270 . 0 0 "[ . 1 . 2]" 1
685 1 56 ILE H 1 56 ILE HB 3.371 . 4.791 2.283 2.180 2.606 . 0 0 "[ . 1 . 2]" 1
686 1 56 ILE H 1 56 ILE HG12 3.984 . 5.968 4.395 4.073 4.637 . 0 0 "[ . 1 . 2]" 1
687 1 56 ILE H 1 56 ILE HG13 3.367 . 4.784 3.382 2.838 3.813 . 0 0 "[ . 1 . 2]" 1
688 1 56 ILE H 1 56 ILE MG 2.871 . 3.901 3.497 3.320 3.656 . 0 0 "[ . 1 . 2]" 1
689 1 56 ILE HA 1 56 ILE HG12 3.747 . 5.502 2.587 2.373 3.152 . 0 0 "[ . 1 . 2]" 1
690 1 56 ILE HA 1 56 ILE HG13 3.485 . 5.003 2.400 2.090 2.639 . 0 0 "[ . 1 . 2]" 1
691 1 56 ILE HA 1 56 ILE MG 3.225 . 4.525 2.764 2.583 2.911 . 0 0 "[ . 1 . 2]" 1
692 1 56 ILE HA 1 57 CYS H 2.929 . 4.001 2.136 2.074 2.203 . 0 0 "[ . 1 . 2]" 1
693 1 56 ILE HB 1 56 ILE MD 2.767 . 3.724 2.324 2.188 2.444 . 0 0 "[ . 1 . 2]" 1
694 1 56 ILE HB 1 57 CYS H 3.893 . 5.788 4.463 4.343 4.576 . 0 0 "[ . 1 . 2]" 1
695 1 56 ILE MD 1 60 CYS HB2 3.350 . 4.752 4.119 3.045 4.791 0.039 14 0 "[ . 1 . 2]" 1
696 1 56 ILE MD 1 60 CYS HB3 3.450 . 4.938 3.904 2.673 4.810 . 0 0 "[ . 1 . 2]" 1
697 1 56 ILE MD 1 64 LEU H 3.953 . 5.906 5.431 4.915 5.979 0.073 7 0 "[ . 1 . 2]" 1
698 1 56 ILE HG12 1 56 ILE MG 2.881 . 3.918 2.281 2.119 2.401 . 0 0 "[ . 1 . 2]" 1
699 1 56 ILE HG12 1 57 CYS H 3.846 . 5.695 3.962 3.358 4.541 . 0 0 "[ . 1 . 2]" 1
700 1 56 ILE HG12 1 60 CYS HB2 3.879 . 5.760 3.061 2.366 3.765 . 0 0 "[ . 1 . 2]" 1
701 1 56 ILE HG12 1 60 CYS HB3 3.611 . 5.241 2.789 1.965 3.973 0.016 4 0 "[ . 1 . 2]" 1
702 1 56 ILE HG12 1 61 GLN H 3.952 . 5.904 4.342 4.105 4.693 . 0 0 "[ . 1 . 2]" 1
703 1 56 ILE HG13 1 56 ILE MG 3.052 . 4.217 3.151 2.922 3.205 . 0 0 "[ . 1 . 2]" 1
704 1 56 ILE HG13 1 57 CYS H 3.640 . 5.296 4.402 4.020 4.738 . 0 0 "[ . 1 . 2]" 1
705 1 56 ILE HG13 1 61 GLN H 3.815 . 5.634 5.748 5.670 5.944 0.310 1 0 "[ . 1 . 2]" 1
706 1 56 ILE MG 1 57 CYS H 3.320 . 4.698 3.006 2.682 3.321 . 0 0 "[ . 1 . 2]" 1
707 1 56 ILE MG 1 58 GLU HA 3.625 . 5.267 4.092 3.833 4.579 . 0 0 "[ . 1 . 2]" 1
708 1 56 ILE MG 1 59 ASP H 4.138 . 6.278 5.146 4.905 5.468 . 0 0 "[ . 1 . 2]" 1
709 1 56 ILE MG 1 60 CYS H 3.914 . 5.829 3.649 3.475 3.874 . 0 0 "[ . 1 . 2]" 1
710 1 56 ILE MG 1 60 CYS HB2 3.049 . 4.211 2.344 1.887 3.440 0.000 7 0 "[ . 1 . 2]" 1
711 1 56 ILE MG 1 60 CYS HB3 3.178 . 4.440 2.876 2.118 4.321 . 0 0 "[ . 1 . 2]" 1
712 1 56 ILE MG 1 61 GLN H 3.412 . 4.867 2.152 1.984 2.352 . 0 0 "[ . 1 . 2]" 1
713 1 56 ILE MG 1 61 GLN HB3 3.009 . 4.141 3.375 3.096 3.656 . 0 0 "[ . 1 . 2]" 1
714 1 56 ILE MG 1 61 GLN HG3 3.223 . 4.521 3.719 3.107 4.561 0.040 3 0 "[ . 1 . 2]" 1
715 1 56 ILE MG 1 64 LEU HA 4.051 . 6.102 5.801 5.127 6.147 0.045 8 0 "[ . 1 . 2]" 1
716 1 56 ILE MG 1 64 LEU MD2 2.759 . 3.710 2.977 2.194 3.728 0.018 16 0 "[ . 1 . 2]" 1
717 1 57 CYS H 1 57 CYS HB3 3.430 . 4.900 2.587 2.432 3.613 . 0 0 "[ . 1 . 2]" 1
718 1 57 CYS H 1 58 GLU H 4.203 . 6.411 4.573 4.434 4.642 . 0 0 "[ . 1 . 2]" 1
719 1 57 CYS H 1 60 CYS HB2 3.753 . 5.513 3.035 2.002 5.235 . 0 0 "[ . 1 . 2]" 1
720 1 57 CYS H 1 60 CYS HB3 3.801 . 5.607 4.068 3.234 4.961 . 0 0 "[ . 1 . 2]" 1
721 1 57 CYS HA 1 58 GLU H 3.041 . 4.197 2.532 2.404 2.698 . 0 0 "[ . 1 . 2]" 1
722 1 57 CYS HB3 1 58 GLU H 3.028 . 4.174 3.708 2.089 3.959 . 0 0 "[ . 1 . 2]" 1
723 1 57 CYS HB3 1 59 ASP H 4.007 . 6.014 4.479 2.707 4.849 . 0 0 "[ . 1 . 2]" 1
724 1 57 CYS HB3 1 60 CYS H 4.113 . 6.228 4.463 4.001 5.171 . 0 0 "[ . 1 . 2]" 1
725 1 58 GLU H 1 58 GLU HB3 2.658 . 3.541 2.981 2.400 3.578 0.037 14 0 "[ . 1 . 2]" 1
726 1 58 GLU H 1 58 GLU HG3 3.221 . 4.518 3.619 2.001 4.532 0.014 8 0 "[ . 1 . 2]" 1
727 1 58 GLU H 1 59 ASP H 3.141 . 4.374 2.727 2.164 2.893 . 0 0 "[ . 1 . 2]" 1
728 1 58 GLU H 1 59 ASP HB2 3.672 . 5.358 5.195 4.890 5.461 0.103 8 0 "[ . 1 . 2]" 1
729 1 58 GLU H 1 59 ASP HB3 3.671 . 5.356 4.880 3.902 5.328 . 0 0 "[ . 1 . 2]" 1
730 1 58 GLU H 1 60 CYS H 3.527 . 5.082 4.348 3.996 4.684 . 0 0 "[ . 1 . 2]" 1
731 1 58 GLU H 1 61 GLN H 3.702 . 5.415 4.794 4.551 5.163 . 0 0 "[ . 1 . 2]" 1
732 1 58 GLU HA 1 58 GLU HB3 2.602 . 3.448 2.770 2.418 3.037 . 0 0 "[ . 1 . 2]" 1
733 1 58 GLU HA 1 58 GLU HG3 3.079 . 4.264 2.902 2.487 3.844 . 0 0 "[ . 1 . 2]" 1
734 1 58 GLU HA 1 59 ASP H 3.449 . 4.936 3.531 3.420 3.561 . 0 0 "[ . 1 . 2]" 1
735 1 58 GLU HA 1 61 GLN H 3.202 . 4.483 3.619 3.171 4.165 . 0 0 "[ . 1 . 2]" 1
736 1 58 GLU HA 1 61 GLN HB3 2.860 . 3.882 2.598 1.902 3.204 . 0 0 "[ . 1 . 2]" 1
737 1 58 GLU HA 1 61 GLN HE21 4.286 . 6.582 5.230 3.339 6.384 . 0 0 "[ . 1 . 2]" 1
738 1 58 GLU HA 1 61 GLN HE22 4.326 . 6.665 6.059 4.721 6.698 0.033 6 0 "[ . 1 . 2]" 1
739 1 58 GLU HA 1 62 GLU H 3.527 . 5.082 4.175 3.732 4.448 . 0 0 "[ . 1 . 2]" 1
740 1 58 GLU HB3 1 58 GLU HG3 2.315 . 2.985 2.817 2.423 3.008 0.023 12 0 "[ . 1 . 2]" 1
741 1 58 GLU HB3 1 59 ASP H 2.885 . 3.926 3.069 2.298 4.076 0.150 4 0 "[ . 1 . 2]" 1
742 1 58 GLU HG3 1 59 ASP H 3.850 . 5.703 4.387 2.640 4.979 . 0 0 "[ . 1 . 2]" 1
743 1 59 ASP H 1 59 ASP HA 2.687 . 3.589 2.801 2.755 2.853 . 0 0 "[ . 1 . 2]" 1
744 1 59 ASP H 1 59 ASP HB2 2.818 . 3.811 2.611 2.399 3.430 . 0 0 "[ . 1 . 2]" 1
745 1 59 ASP H 1 59 ASP HB3 2.925 . 3.994 2.479 2.122 2.715 . 0 0 "[ . 1 . 2]" 1
746 1 59 ASP H 1 60 CYS H 3.041 . 4.197 2.765 2.517 2.946 . 0 0 "[ . 1 . 2]" 1
747 1 59 ASP H 1 61 GLN H 3.337 . 4.729 4.247 3.957 4.617 . 0 0 "[ . 1 . 2]" 1
748 1 59 ASP HA 1 60 CYS H 3.698 . 5.407 3.554 3.520 3.591 . 0 0 "[ . 1 . 2]" 1
749 1 59 ASP HA 1 62 GLU H 3.616 . 5.250 3.579 3.128 4.250 . 0 0 "[ . 1 . 2]" 1
750 1 59 ASP HB2 1 60 CYS H 3.323 . 4.703 3.893 3.741 4.027 . 0 0 "[ . 1 . 2]" 1
751 1 59 ASP HB2 1 60 CYS HA 3.836 . 5.675 5.593 5.003 5.699 0.024 4 0 "[ . 1 . 2]" 1
752 1 59 ASP HB3 1 60 CYS H 3.267 . 4.601 2.623 2.398 3.441 . 0 0 "[ . 1 . 2]" 1
753 1 59 ASP HB3 1 60 CYS HA 4.029 . 6.058 4.433 4.209 5.453 . 0 0 "[ . 1 . 2]" 1
754 1 60 CYS H 1 60 CYS HB2 3.235 . 4.543 2.644 2.249 3.600 . 0 0 "[ . 1 . 2]" 1
755 1 60 CYS H 1 60 CYS HB3 3.072 . 4.251 3.417 2.838 3.646 . 0 0 "[ . 1 . 2]" 1
756 1 60 CYS H 1 61 GLN H 3.160 . 4.408 2.647 2.428 2.821 . 0 0 "[ . 1 . 2]" 1
757 1 60 CYS H 1 61 GLN HB3 3.891 . 5.784 4.767 4.380 5.322 . 0 0 "[ . 1 . 2]" 1
758 1 60 CYS HA 1 60 CYS HB2 2.975 . 4.082 2.902 2.542 3.029 . 0 0 "[ . 1 . 2]" 1
759 1 60 CYS HA 1 61 GLN H 3.202 . 4.483 3.544 3.499 3.580 . 0 0 "[ . 1 . 2]" 1
760 1 60 CYS HA 1 63 ALA H 3.501 . 5.033 3.326 2.847 3.829 . 0 0 "[ . 1 . 2]" 1
761 1 60 CYS HA 1 63 ALA MB 2.846 . 3.858 2.730 2.068 3.231 . 0 0 "[ . 1 . 2]" 1
762 1 60 CYS HA 1 64 LEU H 3.540 . 5.107 4.079 3.868 4.313 . 0 0 "[ . 1 . 2]" 1
763 1 60 CYS HB2 1 61 GLN H 3.260 . 4.588 2.782 2.272 3.622 . 0 0 "[ . 1 . 2]" 1
764 1 60 CYS HB2 1 63 ALA MB 3.666 . 5.346 4.925 3.599 5.661 0.315 18 0 "[ . 1 . 2]" 1
765 1 60 CYS HB2 1 64 LEU H 4.098 . 6.197 5.556 4.811 5.979 . 0 0 "[ . 1 . 2]" 1
766 1 60 CYS HB3 1 61 GLN H 3.476 . 4.987 3.478 3.008 4.198 . 0 0 "[ . 1 . 2]" 1
767 1 61 GLN H 1 61 GLN HB3 2.622 . 3.481 2.630 2.275 3.096 . 0 0 "[ . 1 . 2]" 1
768 1 61 GLN H 1 62 GLU H 3.078 . 4.262 2.823 2.642 2.906 . 0 0 "[ . 1 . 2]" 1
769 1 61 GLN H 1 62 GLU HA 3.652 . 5.320 5.359 5.250 5.428 0.108 12 0 "[ . 1 . 2]" 1
770 1 61 GLN H 1 63 ALA H 3.884 . 5.770 4.456 4.147 4.751 . 0 0 "[ . 1 . 2]" 1
771 1 61 GLN H 1 64 LEU H 3.437 . 4.914 4.587 4.405 4.749 . 0 0 "[ . 1 . 2]" 1
772 1 61 GLN H 1 64 LEU MD1 3.544 . 5.114 4.528 3.761 5.349 0.235 12 0 "[ . 1 . 2]" 1
773 1 61 GLN HA 1 61 GLN HB3 2.683 . 3.583 3.011 2.948 3.031 . 0 0 "[ . 1 . 2]" 1
774 1 61 GLN HA 1 61 GLN HG3 3.265 . 4.597 3.385 2.691 3.754 . 0 0 "[ . 1 . 2]" 1
775 1 61 GLN HA 1 62 GLU H 2.916 . 3.979 3.519 3.476 3.578 . 0 0 "[ . 1 . 2]" 1
776 1 61 GLN HA 1 65 ASP HB3 3.732 . 5.473 5.454 5.087 5.832 0.359 13 0 "[ . 1 . 2]" 1
777 1 61 GLN HB3 1 61 GLN HE21 3.966 . 5.932 3.241 1.912 4.538 0.088 9 0 "[ . 1 . 2]" 1
778 1 61 GLN HB3 1 61 GLN HE22 3.706 . 5.423 4.210 3.282 5.324 . 0 0 "[ . 1 . 2]" 1
779 1 61 GLN HB3 1 64 LEU MD2 3.673 . 5.359 5.417 4.917 6.026 0.667 16 5 "[- * * 1* .+ 2]" 1
780 1 61 GLN HE21 1 61 GLN HG3 2.930 . 4.003 2.779 2.187 3.494 . 0 0 "[ . 1 . 2]" 1
781 1 61 GLN HE21 1 62 GLU HA 4.117 . 6.235 4.212 2.506 6.006 . 0 0 "[ . 1 . 2]" 1
782 1 61 GLN HE21 1 64 LEU HB2 4.526 . 7.087 4.786 2.456 6.621 . 0 0 "[ . 1 . 2]" 1
783 1 61 GLN HE21 1 64 LEU HB3 4.221 . 6.448 4.803 2.692 6.449 0.001 1 0 "[ . 1 . 2]" 1
784 1 61 GLN HE22 1 61 GLN HG3 3.434 . 4.908 3.715 3.439 4.049 . 0 0 "[ . 1 . 2]" 1
785 1 61 GLN HG3 1 65 ASP H 4.122 . 6.246 5.215 3.999 6.057 . 0 0 "[ . 1 . 2]" 1
786 1 61 GLN HG3 1 65 ASP HB3 3.930 . 5.860 5.484 4.121 6.233 0.373 13 0 "[ . 1 . 2]" 1
787 1 62 GLU H 1 62 GLU HB3 2.479 . 3.247 3.156 2.494 3.457 0.210 1 0 "[ . 1 . 2]" 1
788 1 62 GLU H 1 62 GLU HG2 3.169 . 4.424 3.770 2.380 4.514 0.090 18 0 "[ . 1 . 2]" 1
789 1 62 GLU H 1 62 GLU HG3 3.603 . 5.226 3.804 2.548 4.480 . 0 0 "[ . 1 . 2]" 1
790 1 62 GLU H 1 63 ALA H 3.018 . 4.157 2.630 2.495 2.875 . 0 0 "[ . 1 . 2]" 1
791 1 62 GLU H 1 63 ALA MB 3.887 . 5.776 4.256 4.019 4.489 . 0 0 "[ . 1 . 2]" 1
792 1 62 GLU H 1 64 LEU MD1 4.268 . 6.545 5.424 4.874 6.281 . 0 0 "[ . 1 . 2]" 1
793 1 62 GLU HA 1 62 GLU HB3 2.826 . 3.824 2.775 2.514 3.017 . 0 0 "[ . 1 . 2]" 1
794 1 62 GLU HA 1 62 GLU HG2 3.392 . 4.830 2.814 2.297 3.823 . 0 0 "[ . 1 . 2]" 1
795 1 62 GLU HA 1 62 GLU HG3 3.267 . 4.601 3.110 2.396 3.691 . 0 0 "[ . 1 . 2]" 1
796 1 62 GLU HA 1 64 LEU H 3.621 . 5.260 3.936 3.512 4.186 . 0 0 "[ . 1 . 2]" 1
797 1 62 GLU HA 1 64 LEU HB2 3.766 . 5.539 4.630 3.988 5.426 . 0 0 "[ . 1 . 2]" 1
798 1 62 GLU HA 1 64 LEU HB3 3.566 . 5.156 5.303 5.194 5.672 0.516 13 1 "[ . 1 + . 2]" 1
799 1 62 GLU HB3 1 62 GLU HG2 2.198 . 2.802 2.638 2.345 2.996 0.194 8 0 "[ . 1 . 2]" 1
800 1 62 GLU HB3 1 63 ALA H 2.988 . 4.104 2.819 2.049 3.510 . 0 0 "[ . 1 . 2]" 1
801 1 62 GLU HB3 1 63 ALA MB 3.413 . 4.869 4.135 3.511 4.879 0.010 1 0 "[ . 1 . 2]" 1
802 1 62 GLU HB3 1 64 LEU H 3.383 . 4.814 4.699 4.147 4.945 0.131 6 0 "[ . 1 . 2]" 1
803 1 62 GLU HG2 1 63 ALA H 3.992 . 5.984 4.678 3.998 5.051 . 0 0 "[ . 1 . 2]" 1
804 1 63 ALA H 1 63 ALA HA 2.900 . 3.951 2.816 2.769 2.848 . 0 0 "[ . 1 . 2]" 1
805 1 63 ALA H 1 63 ALA MB 2.651 . 3.529 2.226 2.188 2.245 . 0 0 "[ . 1 . 2]" 1
806 1 63 ALA H 1 64 LEU H 2.955 . 4.047 2.434 2.340 2.565 . 0 0 "[ . 1 . 2]" 1
807 1 63 ALA H 1 64 LEU HB3 4.218 . 6.441 5.468 4.997 5.932 . 0 0 "[ . 1 . 2]" 1
808 1 63 ALA H 1 64 LEU HG 4.182 . 6.368 5.973 4.821 6.473 0.105 3 0 "[ . 1 . 2]" 1
809 1 63 ALA H 1 65 ASP H 3.597 . 5.214 4.441 4.271 4.783 . 0 0 "[ . 1 . 2]" 1
810 1 63 ALA HA 1 63 ALA MB 2.447 . 3.195 2.136 2.130 2.141 . 0 0 "[ . 1 . 2]" 1
811 1 63 ALA HA 1 64 LEU H 3.301 . 4.663 3.412 3.381 3.433 . 0 0 "[ . 1 . 2]" 1
812 1 63 ALA HA 1 66 ARG H 3.491 . 5.014 3.839 3.463 4.289 . 0 0 "[ . 1 . 2]" 1
813 1 63 ALA MB 1 64 LEU H 2.983 . 4.095 2.645 2.547 2.810 . 0 0 "[ . 1 . 2]" 1
814 1 63 ALA MB 1 64 LEU MD1 3.436 . 4.912 4.049 3.115 4.994 0.082 11 0 "[ . 1 . 2]" 1
815 1 63 ALA MB 1 65 ASP H 3.649 . 5.314 4.863 4.757 5.002 . 0 0 "[ . 1 . 2]" 1
816 1 64 LEU H 1 64 LEU HA 2.773 . 3.734 2.816 2.765 2.873 . 0 0 "[ . 1 . 2]" 1
817 1 64 LEU H 1 64 LEU HB2 3.129 . 4.353 1.988 1.821 2.171 0.084 12 0 "[ . 1 . 2]" 1
818 1 64 LEU H 1 64 LEU HB3 2.873 . 3.905 3.196 2.813 3.460 . 0 0 "[ . 1 . 2]" 1
819 1 64 LEU H 1 64 LEU MD1 3.220 . 4.516 3.512 2.752 4.245 . 0 0 "[ . 1 . 2]" 1
820 1 64 LEU H 1 64 LEU MD2 3.351 . 4.755 3.604 2.492 4.353 . 0 0 "[ . 1 . 2]" 1
821 1 64 LEU H 1 64 LEU HG 2.937 . 4.015 3.819 2.930 4.218 0.203 18 0 "[ . 1 . 2]" 1
822 1 64 LEU H 1 65 ASP HB3 3.651 . 5.317 4.834 4.602 5.089 . 0 0 "[ . 1 . 2]" 1
823 1 64 LEU H 1 66 ARG H 3.604 . 5.228 3.928 3.621 4.390 . 0 0 "[ . 1 . 2]" 1
824 1 64 LEU H 1 70 TYR HB3 4.182 . 6.368 5.670 3.743 6.419 0.051 20 0 "[ . 1 . 2]" 1
825 1 64 LEU HA 1 64 LEU HB2 2.957 . 4.050 2.856 2.659 2.990 . 0 0 "[ . 1 . 2]" 1
826 1 64 LEU HA 1 64 LEU HB3 2.964 . 4.062 2.797 2.595 2.964 . 0 0 "[ . 1 . 2]" 1
827 1 64 LEU HA 1 64 LEU MD1 2.453 . 3.205 2.650 2.227 3.369 0.164 16 0 "[ . 1 . 2]" 1
828 1 64 LEU HA 1 64 LEU MD2 2.962 . 4.059 2.973 1.827 3.717 0.038 16 0 "[ . 1 . 2]" 1
829 1 64 LEU HA 1 64 LEU HG 3.195 . 4.471 2.756 2.136 3.685 . 0 0 "[ . 1 . 2]" 1
830 1 64 LEU HA 1 65 ASP H 2.709 . 3.626 3.526 3.489 3.561 . 0 0 "[ . 1 . 2]" 1
831 1 64 LEU HB2 1 64 LEU MD1 2.713 . 3.633 2.498 2.138 3.163 . 0 0 "[ . 1 . 2]" 1
832 1 64 LEU HB2 1 64 LEU MD2 2.686 . 3.588 2.690 2.315 3.067 . 0 0 "[ . 1 . 2]" 1
833 1 64 LEU HB2 1 64 LEU HG 2.724 . 3.651 2.658 2.188 2.964 . 0 0 "[ . 1 . 2]" 1
834 1 64 LEU HB2 1 65 ASP H 3.330 . 4.716 2.639 2.210 3.270 . 0 0 "[ . 1 . 2]" 1
835 1 64 LEU HB3 1 64 LEU MD1 2.716 . 3.638 2.752 2.084 3.181 . 0 0 "[ . 1 . 2]" 1
836 1 64 LEU HB3 1 64 LEU MD2 2.635 . 3.503 2.535 2.157 3.201 . 0 0 "[ . 1 . 2]" 1
837 1 64 LEU HB3 1 65 ASP H 2.995 . 4.116 2.406 2.122 2.922 . 0 0 "[ . 1 . 2]" 1
838 1 64 LEU HB3 1 65 ASP HB3 3.696 . 5.403 4.574 4.169 4.884 . 0 0 "[ . 1 . 2]" 1
839 1 64 LEU MD2 1 65 ASP H 3.717 . 5.444 4.138 3.694 4.401 . 0 0 "[ . 1 . 2]" 1
840 1 64 LEU HG 1 65 ASP H 3.122 . 4.340 4.407 4.308 4.478 0.138 4 0 "[ . 1 . 2]" 1
841 1 65 ASP H 1 65 ASP HA 2.693 . 3.600 2.818 2.772 2.859 . 0 0 "[ . 1 . 2]" 1
842 1 65 ASP H 1 65 ASP HB3 2.532 . 3.333 2.456 2.257 2.641 . 0 0 "[ . 1 . 2]" 1
843 1 65 ASP HA 1 65 ASP HB3 2.527 . 3.325 3.023 3.009 3.034 . 0 0 "[ . 1 . 2]" 1
844 1 65 ASP HA 1 66 ARG H 3.259 . 4.587 3.514 3.390 3.627 . 0 0 "[ . 1 . 2]" 1
845 1 65 ASP HB3 1 66 ARG H 3.254 . 4.578 2.818 2.600 3.280 . 0 0 "[ . 1 . 2]" 1
846 1 66 ARG H 1 66 ARG HB2 2.999 . 4.124 2.753 2.347 3.804 . 0 0 "[ . 1 . 2]" 1
847 1 66 ARG H 1 66 ARG HB3 3.241 . 4.554 3.053 2.434 4.108 . 0 0 "[ . 1 . 2]" 1
848 1 66 ARG H 1 66 ARG HG2 3.510 . 5.050 4.222 2.230 4.781 . 0 0 "[ . 1 . 2]" 1
849 1 66 ARG H 1 66 ARG HG3 3.305 . 4.671 3.930 2.434 4.679 0.008 16 0 "[ . 1 . 2]" 1
850 1 66 ARG H 1 67 ASN H 2.696 . 3.604 2.826 1.838 3.733 0.129 16 0 "[ . 1 . 2]" 1
851 1 66 ARG HA 1 66 ARG HB2 2.989 . 4.106 2.643 2.416 3.021 . 0 0 "[ . 1 . 2]" 1
852 1 66 ARG HA 1 66 ARG HB3 2.861 . 3.884 2.836 2.371 3.031 . 0 0 "[ . 1 . 2]" 1
853 1 66 ARG HA 1 66 ARG HG2 2.903 . 3.956 3.035 2.380 3.828 . 0 0 "[ . 1 . 2]" 1
854 1 66 ARG HA 1 67 ASN H 2.951 . 4.040 3.301 2.163 3.595 . 0 0 "[ . 1 . 2]" 1
855 1 66 ARG HB2 1 66 ARG HD3 2.978 . 4.087 2.954 2.342 3.828 . 0 0 "[ . 1 . 2]" 1
856 1 66 ARG HB3 1 66 ARG HD3 2.937 . 4.015 3.194 2.442 3.758 . 0 0 "[ . 1 . 2]" 1
857 1 66 ARG HB3 1 66 ARG HG2 2.565 . 3.388 2.468 2.341 3.004 . 0 0 "[ . 1 . 2]" 1
858 1 66 ARG HB3 1 67 ASN H 3.437 . 4.913 3.085 1.896 4.502 0.065 16 0 "[ . 1 . 2]" 1
859 1 66 ARG HD3 1 66 ARG HG2 2.709 . 3.626 2.621 2.363 3.016 . 0 0 "[ . 1 . 2]" 1
860 1 66 ARG HE 1 66 ARG HG3 3.886 . 5.774 2.930 2.444 3.646 . 0 0 "[ . 1 . 2]" 1
861 1 67 ASN H 1 67 ASN HB2 2.894 . 3.941 3.121 2.315 3.922 . 0 0 "[ . 1 . 2]" 1
862 1 67 ASN H 1 67 ASN HB3 3.074 . 4.256 3.405 2.587 4.039 . 0 0 "[ . 1 . 2]" 1
863 1 67 ASN H 1 68 PRO HD3 3.675 . 5.364 3.718 2.177 4.757 . 0 0 "[ . 1 . 2]" 1
864 1 67 ASN HA 1 67 ASN HD21 3.848 . 5.699 3.757 2.253 4.505 . 0 0 "[ . 1 . 2]" 1
865 1 67 ASN HA 1 68 PRO HD2 3.080 . 4.266 2.879 2.050 4.302 0.036 9 0 "[ . 1 . 2]" 1
866 1 67 ASN HA 1 68 PRO HD3 3.089 . 4.281 2.606 1.858 4.286 0.039 4 0 "[ . 1 . 2]" 1
867 1 67 ASN HB2 1 67 ASN HD21 3.127 . 4.349 2.549 2.195 3.515 . 0 0 "[ . 1 . 2]" 1
868 1 67 ASN HB2 1 67 ASN HD22 3.443 . 4.925 3.624 3.462 4.071 . 0 0 "[ . 1 . 2]" 1
869 1 67 ASN HB2 1 68 PRO HD2 3.865 . 5.732 4.123 2.351 5.443 . 0 0 "[ . 1 . 2]" 1
870 1 67 ASN HB3 1 67 ASN HD21 3.328 . 4.712 3.036 2.225 3.501 . 0 0 "[ . 1 . 2]" 1
871 1 67 ASN HB3 1 68 PRO HD2 3.683 . 5.379 3.862 2.410 5.131 . 0 0 "[ . 1 . 2]" 1
872 1 67 ASN HB3 1 68 PRO HG2 4.401 . 6.822 5.795 4.488 6.916 0.094 8 0 "[ . 1 . 2]" 1
873 1 68 PRO HA 1 68 PRO HB3 2.909 . 3.967 2.292 2.264 2.338 . 0 0 "[ . 1 . 2]" 1
874 1 68 PRO HA 1 68 PRO HD2 3.659 . 5.332 3.972 3.874 4.110 . 0 0 "[ . 1 . 2]" 1
875 1 68 PRO HA 1 68 PRO HD3 3.647 . 5.310 3.732 3.463 3.985 . 0 0 "[ . 1 . 2]" 1
876 1 68 PRO HB2 1 68 PRO HD2 3.640 . 5.297 3.312 2.930 4.067 . 0 0 "[ . 1 . 2]" 1
877 1 68 PRO HB2 1 68 PRO HG3 2.707 . 3.623 2.886 2.639 2.996 . 0 0 "[ . 1 . 2]" 1
878 1 68 PRO HB2 1 69 HIS HD2 3.584 . 5.190 2.812 2.059 4.418 . 0 0 "[ . 1 . 2]" 1
879 1 68 PRO HB3 1 68 PRO HD3 3.684 . 5.381 3.721 2.898 4.053 . 0 0 "[ . 1 . 2]" 1
880 1 68 PRO HD2 1 68 PRO HG2 2.998 . 4.121 2.303 2.283 2.324 . 0 0 "[ . 1 . 2]" 1
881 1 68 PRO HD3 1 68 PRO HG3 2.965 . 4.064 2.301 2.276 2.318 . 0 0 "[ . 1 . 2]" 1
882 1 68 PRO HG2 1 69 HIS HD2 3.798 . 5.601 4.003 1.988 5.617 0.016 1 0 "[ . 1 . 2]" 1
883 1 69 HIS H 1 69 HIS HA 2.629 . 3.493 2.704 2.249 2.948 . 0 0 "[ . 1 . 2]" 1
884 1 69 HIS H 1 69 HIS HB2 3.202 . 4.484 3.258 2.314 4.083 . 0 0 "[ . 1 . 2]" 1
885 1 69 HIS H 1 69 HIS HB3 3.641 . 5.299 3.750 3.395 4.144 . 0 0 "[ . 1 . 2]" 1
886 1 69 HIS H 1 70 TYR H 3.009 . 4.141 3.105 1.849 4.240 0.099 10 0 "[ . 1 . 2]" 1
887 1 69 HIS HB2 1 69 HIS HD2 3.271 . 4.608 3.266 2.793 3.970 . 0 0 "[ . 1 . 2]" 1
888 1 69 HIS HB3 1 69 HIS HD2 3.606 . 5.232 3.639 2.826 3.972 . 0 0 "[ . 1 . 2]" 1
889 1 70 TYR H 1 70 TYR HB2 3.013 . 4.148 3.235 2.413 4.067 . 0 0 "[ . 1 . 2]" 1
890 1 70 TYR H 1 70 TYR HB3 3.076 . 4.259 2.893 2.431 3.682 . 0 0 "[ . 1 . 2]" 1
891 1 70 TYR H 1 70 TYR QD 4.056 . 6.113 3.534 2.137 4.411 . 0 0 "[ . 1 . 2]" 1
892 1 70 TYR HA 1 70 TYR QD 3.041 . 4.197 3.109 2.065 3.753 . 0 0 "[ . 1 . 2]" 1
893 1 70 TYR HA 1 71 HIS H 2.626 . 3.488 2.811 2.109 3.544 0.056 12 0 "[ . 1 . 2]" 1
894 1 70 TYR HB2 1 70 TYR QD 2.715 . 3.636 2.460 2.283 2.743 . 0 0 "[ . 1 . 2]" 1
895 1 70 TYR HB2 1 71 HIS H 3.405 . 4.854 3.766 2.241 4.642 . 0 0 "[ . 1 . 2]" 1
896 1 70 TYR HB3 1 70 TYR QD 2.858 . 3.879 2.395 2.287 2.577 . 0 0 "[ . 1 . 2]" 1
897 1 70 TYR QD 1 71 HIS HB2 3.881 . 5.764 3.537 1.992 4.768 0.006 18 0 "[ . 1 . 2]" 1
898 1 70 TYR QE 1 71 HIS HB2 3.924 . 5.848 4.595 2.737 5.935 0.087 20 0 "[ . 1 . 2]" 1
899 1 71 HIS HA 1 71 HIS HB3 2.941 . 4.022 2.774 2.440 3.031 . 0 0 "[ . 1 . 2]" 1
900 1 71 HIS HA 1 72 GLU H 3.141 . 4.375 2.497 2.151 3.531 . 0 0 "[ . 1 . 2]" 1
901 1 72 GLU H 1 72 GLU HB3 3.098 . 4.298 3.340 2.681 4.110 . 0 0 "[ . 1 . 2]" 1
902 1 72 GLU H 1 72 GLU HG3 3.139 . 4.371 3.007 2.149 4.090 . 0 0 "[ . 1 . 2]" 1
903 1 72 GLU HA 1 72 GLU HG3 3.253 . 4.575 3.434 2.375 3.839 . 0 0 "[ . 1 . 2]" 1
904 1 72 GLU HA 1 73 TYR H 2.714 . 3.635 2.642 2.098 3.557 . 0 0 "[ . 1 . 2]" 1
905 1 72 GLU HA 1 73 TYR QD 4.134 . 6.271 5.116 3.167 6.358 0.087 9 0 "[ . 1 . 2]" 1
906 1 72 GLU HB3 1 72 GLU HG3 2.601 . 3.447 2.879 2.436 3.011 . 0 0 "[ . 1 . 2]" 1
907 1 72 GLU HB3 1 73 TYR H 3.359 . 4.770 3.853 1.961 4.633 . 0 0 "[ . 1 . 2]" 1
908 1 73 TYR H 1 73 TYR HA 2.833 . 3.837 2.855 2.266 2.934 . 0 0 "[ . 1 . 2]" 1
909 1 73 TYR H 1 73 TYR HB2 2.976 . 4.083 3.117 2.499 3.808 . 0 0 "[ . 1 . 2]" 1
910 1 73 TYR H 1 73 TYR HB3 3.198 . 4.476 2.929 2.480 3.747 . 0 0 "[ . 1 . 2]" 1
911 1 73 TYR H 1 73 TYR QD 3.760 . 5.527 3.569 1.999 4.590 . 0 0 "[ . 1 . 2]" 1
912 1 73 TYR HA 1 73 TYR QD 3.211 . 4.500 3.143 2.092 3.742 . 0 0 "[ . 1 . 2]" 1
913 1 73 TYR HB2 1 73 TYR QD 2.751 . 3.697 2.436 2.265 2.628 . 0 0 "[ . 1 . 2]" 1
914 1 73 TYR HB3 1 73 TYR QD 2.899 . 3.950 2.412 2.277 2.648 . 0 0 "[ . 1 . 2]" 1
915 1 73 TYR QD 1 74 HIS HB2 3.493 . 5.018 4.094 2.627 5.058 0.040 11 0 "[ . 1 . 2]" 1
916 1 74 HIS H 1 74 HIS HB2 3.725 . 5.460 3.122 2.418 3.972 . 0 0 "[ . 1 . 2]" 1
917 1 74 HIS H 1 74 HIS HB3 4.212 . 6.429 3.215 2.533 4.095 . 0 0 "[ . 1 . 2]" 1
918 1 74 HIS HA 1 75 THR H 2.832 . 3.834 2.606 2.110 3.554 . 0 0 "[ . 1 . 2]" 1
919 1 74 HIS HB2 1 75 THR H 3.387 . 4.821 4.119 2.394 4.643 . 0 0 "[ . 1 . 2]" 1
920 1 74 HIS HB3 1 75 THR H 3.932 . 5.864 4.079 2.476 4.584 . 0 0 "[ . 1 . 2]" 1
921 1 75 THR H 1 75 THR MG 3.615 . 5.248 3.236 1.970 3.996 0.012 5 0 "[ . 1 . 2]" 1
stop_
save_
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