NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
372123 |
1d1n   |
4697 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d1n
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 1217
_Distance_constraint_stats_list.Viol_count 3782
_Distance_constraint_stats_list.Viol_total 9424.308
_Distance_constraint_stats_list.Viol_max 0.767
_Distance_constraint_stats_list.Viol_rms 0.0671
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0194
_Distance_constraint_stats_list.Viol_average_violations_only 0.1246
_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 TYR 0.034 0.025 19 0 "[ . 1 . 2]"
1 2 GLU 0.193 0.064 10 0 "[ . 1 . 2]"
1 3 GLU 12.307 0.708 1 4 "[+* . * 1 . - 2]"
1 4 LYS 1.360 0.651 2 1 "[ + . 1 . 2]"
1 5 VAL 13.102 0.289 18 0 "[ . 1 . 2]"
1 6 ILE 7.570 0.245 18 0 "[ . 1 . 2]"
1 7 GLY 4.376 0.164 19 0 "[ . 1 . 2]"
1 8 GLN 7.080 0.186 18 0 "[ . 1 . 2]"
1 9 ALA 5.894 0.168 10 0 "[ . 1 . 2]"
1 10 GLU 9.151 0.243 11 0 "[ . 1 . 2]"
1 11 VAL 15.647 0.411 9 0 "[ . 1 . 2]"
1 12 ARG 16.117 0.351 14 0 "[ . 1 . 2]"
1 13 GLN 10.139 0.393 16 0 "[ . 1 . 2]"
1 14 THR 14.399 0.304 8 0 "[ . 1 . 2]"
1 15 PHE 5.616 0.171 15 0 "[ . 1 . 2]"
1 16 LYS 2.484 0.137 13 0 "[ . 1 . 2]"
1 17 VAL 0.728 0.079 11 0 "[ . 1 . 2]"
1 18 SER 1.041 0.193 8 0 "[ . 1 . 2]"
1 19 LYS 4.950 0.193 8 0 "[ . 1 . 2]"
1 20 VAL 18.155 0.472 16 0 "[ . 1 . 2]"
1 21 GLY 8.778 0.472 16 0 "[ . 1 . 2]"
1 22 THR 2.007 0.138 14 0 "[ . 1 . 2]"
1 23 ILE 8.640 0.304 8 0 "[ . 1 . 2]"
1 24 ALA 4.843 0.247 13 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 18.541 0.403 13 0 "[ . 1 . 2]"
1 27 TYR 1.888 0.156 4 0 "[ . 1 . 2]"
1 28 VAL 5.167 0.201 14 0 "[ . 1 . 2]"
1 29 THR 7.058 0.304 7 0 "[ . 1 . 2]"
1 30 ASP 18.156 0.320 13 0 "[ . 1 . 2]"
1 31 GLY 8.629 0.320 13 0 "[ . 1 . 2]"
1 32 LYS 3.878 0.276 9 0 "[ . 1 . 2]"
1 33 ILE 7.882 0.298 17 0 "[ . 1 . 2]"
1 34 THR 4.568 0.298 17 0 "[ . 1 . 2]"
1 35 ARG 5.086 0.235 19 0 "[ . 1 . 2]"
1 36 ASP 4.069 0.183 13 0 "[ . 1 . 2]"
1 37 SER 2.139 0.126 13 0 "[ . 1 . 2]"
1 38 LYS 1.867 0.176 15 0 "[ . 1 . 2]"
1 39 VAL 10.040 0.312 6 0 "[ . 1 . 2]"
1 40 ARG 14.322 0.475 9 0 "[ . 1 . 2]"
1 41 LEU 28.651 0.767 4 20 [***+******-*********]
1 42 ILE 7.204 0.301 5 0 "[ . 1 . 2]"
1 43 ARG 1.718 0.266 17 0 "[ . 1 . 2]"
1 44 GLN 4.666 0.157 16 0 "[ . 1 . 2]"
1 45 GLY 5.538 0.222 16 0 "[ . 1 . 2]"
1 46 ILE 6.335 0.266 17 0 "[ . 1 . 2]"
1 47 VAL 7.113 0.342 6 0 "[ . 1 . 2]"
1 48 VAL 4.017 0.153 8 0 "[ . 1 . 2]"
1 49 TYR 21.036 0.767 4 10 "[ -*+* 1* **** * 2]"
1 50 GLU 6.337 0.199 6 0 "[ . 1 . 2]"
1 51 GLY 2.462 0.100 15 0 "[ . 1 . 2]"
1 52 GLU 24.927 0.702 2 20 [*+***-**************]
1 53 ILE 23.480 0.702 2 20 [*+***-**************]
1 54 ASP 1.922 0.111 13 0 "[ . 1 . 2]"
1 55 SER 2.496 0.148 16 0 "[ . 1 . 2]"
1 56 LEU 6.371 0.291 20 0 "[ . 1 . 2]"
1 57 LYS 2.178 0.191 20 0 "[ . 1 . 2]"
1 58 ARG 10.363 0.622 19 3 "[ . 1 .- +*]"
1 59 TYR 4.891 0.622 19 3 "[ . 1 .- +*]"
1 60 LYS 0.061 0.030 2 0 "[ . 1 . 2]"
1 61 ASP 4.728 0.184 20 0 "[ . 1 . 2]"
1 62 ASP 1.939 0.113 11 0 "[ . 1 . 2]"
1 63 VAL 17.321 0.737 13 20 [*******-****+*******]
1 64 ARG 19.873 0.737 13 20 [*******-****+*******]
1 65 GLU 7.079 0.276 9 0 "[ . 1 . 2]"
1 66 VAL 3.938 0.169 19 0 "[ . 1 . 2]"
1 67 ALA 0.366 0.049 6 0 "[ . 1 . 2]"
1 68 GLN 3.718 0.197 6 0 "[ . 1 . 2]"
1 69 GLY 4.198 0.197 6 0 "[ . 1 . 2]"
1 70 TYR 3.760 0.137 1 0 "[ . 1 . 2]"
1 71 GLU 3.251 0.153 14 0 "[ . 1 . 2]"
1 72 CYS 0.932 0.072 7 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 11.575 0.313 14 0 "[ . 1 . 2]"
1 75 THR 3.869 0.313 14 0 "[ . 1 . 2]"
1 76 ILE 11.034 0.243 13 0 "[ . 1 . 2]"
1 77 LYS 14.573 0.671 18 7 "[ * .- 1 * ** +*2]"
1 78 ASN 11.897 0.671 18 7 "[ * .- 1 * ** +*2]"
1 79 PHE 12.575 0.493 10 0 "[ . 1 . 2]"
1 80 ASN 4.274 0.178 17 0 "[ . 1 . 2]"
1 81 ASP 15.789 0.493 10 0 "[ . 1 . 2]"
1 82 ILE 9.858 0.424 17 0 "[ . 1 . 2]"
1 83 LYS 9.575 0.409 17 0 "[ . 1 . 2]"
1 84 GLU 29.653 0.743 17 11 "[- * .******* . + *2]"
1 85 GLY 3.112 0.255 20 0 "[ . 1 . 2]"
1 86 ASP 18.155 0.743 17 11 "[- * .******* . + *2]"
1 87 VAL 7.499 0.238 20 0 "[ . 1 . 2]"
1 88 ILE 22.328 0.403 13 0 "[ . 1 . 2]"
1 89 GLU 13.747 0.475 9 0 "[ . 1 . 2]"
1 90 ALA 4.897 0.180 6 0 "[ . 1 . 2]"
1 91 TYR 6.791 0.169 14 0 "[ . 1 . 2]"
1 92 VAL 1.463 0.152 7 0 "[ . 1 . 2]"
1 93 MET 6.148 0.675 7 3 "[ . +* 1 . - 2]"
1 94 GLN 4.183 0.648 8 1 "[ . + 1 . 2]"
1 95 GLU 6.977 0.639 6 2 "[ .+ 1 . - 2]"
1 96 VAL 6.843 0.639 6 2 "[ .+ 1 . - 2]"
1 97 ALA 2.301 0.141 18 0 "[ . 1 . 2]"
1 98 ARG 19.451 0.616 8 1 "[ . + 1 . 2]"
1 99 ALA 13.929 0.468 16 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 TYR HA 1 2 GLU H 0.000 . 5.500 2.865 2.148 3.570 . 0 0 "[ . 1 . 2]" 1
2 1 1 TYR QB 1 93 MET HA 0.000 . 6.400 5.722 4.326 6.425 0.025 19 0 "[ . 1 . 2]" 1
3 1 1 TYR QD 1 94 GLN QB 0.000 . 8.600 4.768 2.939 7.818 . 0 0 "[ . 1 . 2]" 1
4 1 1 TYR QE 1 94 GLN HA 0.000 . 7.700 6.523 4.288 7.706 0.006 19 0 "[ . 1 . 2]" 1
5 1 2 GLU H 1 3 GLU H 0.000 . 5.500 4.107 2.673 4.609 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLU HA 1 3 GLU H 0.000 . 5.500 2.365 2.149 2.948 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLU QB 1 3 GLU H 0.000 . 3.700 3.061 1.962 3.764 0.064 10 0 "[ . 1 . 2]" 1
8 1 3 GLU H 1 3 GLU HA 0.000 . 2.800 2.883 2.852 2.895 0.095 10 0 "[ . 1 . 2]" 1
9 1 3 GLU H 1 3 GLU HB2 0.000 . 2.800 2.180 2.101 2.821 0.021 1 0 "[ . 1 . 2]" 1
10 1 3 GLU H 1 3 GLU HB3 0.000 . 2.800 3.106 3.074 3.508 0.708 1 1 "[+ . 1 . 2]" 1
11 1 3 GLU H 1 3 GLU QG 0.000 . 4.400 3.661 1.985 3.991 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLU H 1 4 LYS H 0.000 . 3.500 3.117 2.665 3.606 0.106 7 0 "[ . 1 . 2]" 1
13 1 3 GLU HA 1 3 GLU HB2 0.000 . 2.800 2.808 2.779 2.950 0.150 1 0 "[ . 1 . 2]" 1
14 1 3 GLU HA 1 3 GLU HB3 0.000 . 2.800 2.834 2.257 2.872 0.072 14 0 "[ . 1 . 2]" 1
15 1 3 GLU HA 1 3 GLU QG 0.000 . 3.700 2.159 2.012 2.768 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLU HA 1 4 LYS H 0.000 . 2.800 2.806 2.444 3.451 0.651 2 1 "[ + . 1 . 2]" 1
17 1 3 GLU HA 1 4 LYS HA 0.000 . 5.500 4.609 4.380 5.301 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLU HA 1 93 MET HA 0.000 . 2.800 2.849 2.357 3.475 0.675 7 2 "[ . + 1 . - 2]" 1
19 1 3 GLU HA 1 94 GLN H 0.000 . 5.500 5.122 4.501 5.561 0.061 8 0 "[ . 1 . 2]" 1
20 1 3 GLU HB2 1 4 LYS H 0.000 . 5.500 4.340 2.763 4.595 . 0 0 "[ . 1 . 2]" 1
21 1 3 GLU HB3 1 4 LYS H 0.000 . 5.500 4.135 1.983 4.443 . 0 0 "[ . 1 . 2]" 1
22 1 3 GLU QG 1 4 LYS H 0.000 . 6.400 4.527 3.973 4.715 . 0 0 "[ . 1 . 2]" 1
23 1 3 GLU QG 1 93 MET HA 0.000 . 6.400 2.798 1.915 3.892 . 0 0 "[ . 1 . 2]" 1
24 1 4 LYS H 1 5 VAL H 0.000 . 5.500 3.901 2.749 4.538 . 0 0 "[ . 1 . 2]" 1
25 1 4 LYS H 1 91 TYR QD 0.000 . 7.700 7.170 5.900 7.710 0.010 10 0 "[ . 1 . 2]" 1
26 1 4 LYS H 1 92 VAL H 0.000 . 5.500 5.226 4.624 5.652 0.152 7 0 "[ . 1 . 2]" 1
27 1 4 LYS H 1 93 MET HA 0.000 . 5.500 4.936 3.937 5.537 0.037 2 0 "[ . 1 . 2]" 1
28 1 4 LYS HA 1 4 LYS QG 0.000 . 3.700 2.485 2.083 3.346 . 0 0 "[ . 1 . 2]" 1
29 1 4 LYS QB 1 5 VAL H 0.000 . 6.400 2.222 1.946 2.987 . 0 0 "[ . 1 . 2]" 1
30 1 4 LYS QB 1 92 VAL H 0.000 . 6.400 5.898 5.457 6.382 . 0 0 "[ . 1 . 2]" 1
31 1 4 LYS QG 1 5 VAL H 0.000 . 6.400 2.725 1.958 4.004 . 0 0 "[ . 1 . 2]" 1
32 1 5 VAL H 1 5 VAL HB 0.000 . 2.800 2.753 2.669 2.859 0.059 18 0 "[ . 1 . 2]" 1
33 1 5 VAL H 1 5 VAL MG1 0.000 . 3.800 3.801 3.756 3.906 0.106 10 0 "[ . 1 . 2]" 1
34 1 5 VAL H 1 5 VAL MG2 0.000 . 3.100 2.102 1.929 2.602 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL HA 1 5 VAL MG2 0.000 . 3.100 2.444 2.398 2.505 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL HA 1 6 ILE H 0.000 . 2.800 2.141 2.120 2.161 . 0 0 "[ . 1 . 2]" 1
37 1 5 VAL HA 1 7 GLY H 0.000 . 3.500 3.596 3.567 3.639 0.139 10 0 "[ . 1 . 2]" 1
38 1 5 VAL HA 1 91 TYR H 0.000 . 5.500 5.298 5.158 5.465 . 0 0 "[ . 1 . 2]" 1
39 1 5 VAL HA 1 91 TYR HA 0.000 . 2.800 2.744 2.493 2.862 0.062 14 0 "[ . 1 . 2]" 1
40 1 5 VAL HA 1 91 TYR QB 0.000 . 4.400 3.346 3.203 3.539 . 0 0 "[ . 1 . 2]" 1
41 1 5 VAL HA 1 91 TYR QD 0.000 . 5.700 5.360 5.172 5.533 . 0 0 "[ . 1 . 2]" 1
42 1 5 VAL HA 1 92 VAL H 0.000 . 5.500 4.011 3.548 4.331 . 0 0 "[ . 1 . 2]" 1
43 1 5 VAL HB 1 31 GLY H 0.000 . 3.500 3.673 3.608 3.789 0.289 18 0 "[ . 1 . 2]" 1
44 1 5 VAL HB 1 91 TYR HA 0.000 . 5.500 5.599 5.437 5.642 0.142 20 0 "[ . 1 . 2]" 1
45 1 5 VAL MG1 1 6 ILE H 0.000 . 3.800 2.150 1.970 2.395 . 0 0 "[ . 1 . 2]" 1
46 1 5 VAL MG1 1 7 GLY H 0.000 . 3.100 1.944 1.836 2.156 . 0 0 "[ . 1 . 2]" 1
47 1 5 VAL MG1 1 7 GLY QA 0.000 . 6.700 3.400 3.162 3.581 . 0 0 "[ . 1 . 2]" 1
48 1 5 VAL MG1 1 8 GLN H 0.000 . 5.800 2.440 2.264 2.726 . 0 0 "[ . 1 . 2]" 1
49 1 5 VAL MG1 1 8 GLN HA 0.000 . 5.800 3.307 3.104 3.969 . 0 0 "[ . 1 . 2]" 1
50 1 5 VAL MG1 1 8 GLN QE 0.000 . 6.700 3.703 2.350 4.431 . 0 0 "[ . 1 . 2]" 1
51 1 5 VAL MG1 1 30 ASP HB2 0.000 . 3.100 3.162 3.111 3.208 0.108 11 0 "[ . 1 . 2]" 1
52 1 5 VAL MG1 1 89 GLU HA 0.000 . 5.800 3.870 3.592 4.565 . 0 0 "[ . 1 . 2]" 1
53 1 5 VAL MG1 1 90 ALA H 0.000 . 5.800 3.485 3.308 3.929 . 0 0 "[ . 1 . 2]" 1
54 1 5 VAL MG1 1 91 TYR HA 0.000 . 5.800 3.655 3.560 3.859 . 0 0 "[ . 1 . 2]" 1
55 1 5 VAL MG1 1 91 TYR QB 0.000 . 6.700 4.032 3.811 4.340 . 0 0 "[ . 1 . 2]" 1
56 1 5 VAL MG2 1 6 ILE H 0.000 . 3.800 3.990 3.944 4.045 0.245 18 0 "[ . 1 . 2]" 1
57 1 5 VAL MG2 1 7 GLY H 0.000 . 5.800 4.498 4.364 4.635 . 0 0 "[ . 1 . 2]" 1
58 1 5 VAL MG2 1 8 GLN QE 0.000 . 6.700 3.683 1.964 5.116 . 0 0 "[ . 1 . 2]" 1
59 1 5 VAL MG2 1 90 ALA H 0.000 . 5.800 5.471 5.226 5.768 . 0 0 "[ . 1 . 2]" 1
60 1 5 VAL MG2 1 91 TYR QB 0.000 . 6.000 4.058 3.730 4.291 . 0 0 "[ . 1 . 2]" 1
61 1 6 ILE H 1 7 GLY H 0.000 . 2.800 1.924 1.867 1.992 . 0 0 "[ . 1 . 2]" 1
62 1 6 ILE H 1 8 GLN HA 0.000 . 5.500 5.615 5.581 5.686 0.186 18 0 "[ . 1 . 2]" 1
63 1 6 ILE H 1 91 TYR H 0.000 . 5.500 4.605 4.415 4.932 . 0 0 "[ . 1 . 2]" 1
64 1 6 ILE H 1 91 TYR HA 0.000 . 3.500 2.513 2.393 2.796 . 0 0 "[ . 1 . 2]" 1
65 1 6 ILE H 1 91 TYR QB 0.000 . 6.400 4.037 3.870 4.313 . 0 0 "[ . 1 . 2]" 1
66 1 6 ILE H 1 91 TYR QD 0.000 . 7.700 5.602 5.448 5.907 . 0 0 "[ . 1 . 2]" 1
67 1 6 ILE H 1 92 VAL H 0.000 . 5.500 3.840 3.349 4.575 . 0 0 "[ . 1 . 2]" 1
68 1 6 ILE H 1 92 VAL HB 0.000 . 5.500 5.517 5.021 5.639 0.139 13 0 "[ . 1 . 2]" 1
69 1 6 ILE HB 1 32 LYS H 0.000 . 5.500 4.611 4.051 5.510 0.010 7 0 "[ . 1 . 2]" 1
70 1 6 ILE HB 1 91 TYR QD 0.000 . 7.700 6.983 6.086 7.832 0.132 2 0 "[ . 1 . 2]" 1
71 1 6 ILE HB 1 96 VAL MG2 0.000 . 5.000 3.175 3.062 3.541 . 0 0 "[ . 1 . 2]" 1
72 1 7 GLY H 1 8 GLN H 0.000 . 5.500 2.913 2.646 3.135 . 0 0 "[ . 1 . 2]" 1
73 1 7 GLY H 1 8 GLN HB3 0.000 . 5.500 5.529 5.350 5.664 0.164 19 0 "[ . 1 . 2]" 1
74 1 7 GLY H 1 30 ASP HB2 0.000 . 5.500 5.442 5.142 5.575 0.075 7 0 "[ . 1 . 2]" 1
75 1 7 GLY H 1 32 LYS H 0.000 . 5.500 3.901 3.636 4.201 . 0 0 "[ . 1 . 2]" 1
76 1 7 GLY H 1 33 ILE MD 0.000 . 5.800 4.582 4.315 4.854 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLY H 1 89 GLU HA 0.000 . 5.500 5.072 4.956 5.238 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLY H 1 90 ALA H 0.000 . 3.500 3.561 3.416 3.627 0.127 16 0 "[ . 1 . 2]" 1
79 1 7 GLY H 1 90 ALA MB 0.000 . 3.100 2.705 2.212 3.104 0.004 9 0 "[ . 1 . 2]" 1
80 1 7 GLY H 1 91 TYR HA 0.000 . 5.500 4.075 3.892 4.305 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLY QA 1 8 GLN H 0.000 . 3.700 2.369 2.236 2.480 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLY QA 1 8 GLN HA 0.000 . 6.400 4.034 4.017 4.057 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLY QA 1 30 ASP HB2 0.000 . 6.400 5.078 4.675 5.283 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLY QA 1 31 GLY H 0.000 . 6.400 3.807 3.319 4.045 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLY QA 1 31 GLY QA 0.000 . 4.600 3.399 2.959 3.741 . 0 0 "[ . 1 . 2]" 1
86 1 7 GLY QA 1 32 LYS H 0.000 . 3.700 2.308 2.120 2.597 . 0 0 "[ . 1 . 2]" 1
87 1 7 GLY QA 1 32 LYS HA 0.000 . 6.400 3.391 3.290 3.547 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLY QA 1 33 ILE HA 0.000 . 6.400 2.533 2.212 2.860 . 0 0 "[ . 1 . 2]" 1
89 1 7 GLY QA 1 33 ILE MD 0.000 . 6.700 2.675 2.216 3.151 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLY QA 1 90 ALA MB 0.000 . 6.700 2.034 1.853 2.530 . 0 0 "[ . 1 . 2]" 1
91 1 8 GLN H 1 8 GLN HB2 0.000 . 3.500 2.262 2.196 2.815 . 0 0 "[ . 1 . 2]" 1
92 1 8 GLN H 1 8 GLN QG 0.000 . 4.400 3.596 2.212 3.717 . 0 0 "[ . 1 . 2]" 1
93 1 8 GLN H 1 9 ALA H 0.000 . 5.500 4.528 4.493 4.565 . 0 0 "[ . 1 . 2]" 1
94 1 8 GLN H 1 30 ASP H 0.000 . 3.500 3.572 3.463 3.605 0.105 3 0 "[ . 1 . 2]" 1
95 1 8 GLN H 1 30 ASP HA 0.000 . 5.500 4.648 4.593 4.729 . 0 0 "[ . 1 . 2]" 1
96 1 8 GLN H 1 30 ASP HB3 0.000 . 5.500 1.909 1.880 1.958 . 0 0 "[ . 1 . 2]" 1
97 1 8 GLN H 1 32 LYS H 0.000 . 5.500 4.313 4.113 4.628 . 0 0 "[ . 1 . 2]" 1
98 1 8 GLN H 1 32 LYS HA 0.000 . 5.500 5.403 5.199 5.549 0.049 7 0 "[ . 1 . 2]" 1
99 1 8 GLN H 1 33 ILE MD 0.000 . 5.800 4.335 3.710 4.741 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLN H 1 33 ILE QG 0.000 . 6.400 5.269 3.944 6.492 0.092 10 0 "[ . 1 . 2]" 1
101 1 8 GLN HA 1 9 ALA H 0.000 . 2.800 2.181 2.138 2.242 . 0 0 "[ . 1 . 2]" 1
102 1 8 GLN HA 1 9 ALA HA 0.000 . 5.500 4.379 4.356 4.409 . 0 0 "[ . 1 . 2]" 1
103 1 8 GLN HA 1 9 ALA MB 0.000 . 3.800 3.796 3.702 3.872 0.072 5 0 "[ . 1 . 2]" 1
104 1 8 GLN HA 1 33 ILE MD 0.000 . 5.800 3.616 3.110 4.127 . 0 0 "[ . 1 . 2]" 1
105 1 8 GLN HA 1 87 VAL MG1 0.000 . 5.800 4.848 4.669 5.054 . 0 0 "[ . 1 . 2]" 1
106 1 8 GLN HA 1 88 ILE H 0.000 . 5.500 5.553 5.471 5.638 0.138 7 0 "[ . 1 . 2]" 1
107 1 8 GLN HA 1 88 ILE HB 0.000 . 5.500 5.033 4.855 5.176 . 0 0 "[ . 1 . 2]" 1
108 1 8 GLN HA 1 89 GLU HA 0.000 . 2.800 1.939 1.877 1.994 . 0 0 "[ . 1 . 2]" 1
109 1 8 GLN HA 1 89 GLU QG 0.000 . 6.400 3.250 2.939 3.667 . 0 0 "[ . 1 . 2]" 1
110 1 8 GLN HA 1 90 ALA H 0.000 . 3.500 2.386 2.150 2.634 . 0 0 "[ . 1 . 2]" 1
111 1 8 GLN HA 1 90 ALA MB 0.000 . 5.800 3.886 3.634 4.096 . 0 0 "[ . 1 . 2]" 1
112 1 8 GLN HB2 1 9 ALA H 0.000 . 5.500 4.375 3.704 4.455 . 0 0 "[ . 1 . 2]" 1
113 1 8 GLN HB2 1 30 ASP H 0.000 . 5.500 4.271 3.939 4.486 . 0 0 "[ . 1 . 2]" 1
114 1 8 GLN HB3 1 9 ALA H 0.000 . 3.500 3.481 3.005 3.558 0.058 9 0 "[ . 1 . 2]" 1
115 1 8 GLN HB3 1 30 ASP H 0.000 . 5.500 4.180 3.929 5.562 0.062 7 0 "[ . 1 . 2]" 1
116 1 8 GLN QG 1 9 ALA H 0.000 . 6.400 3.183 2.905 4.398 . 0 0 "[ . 1 . 2]" 1
117 1 8 GLN QG 1 29 THR H 0.000 . 6.400 5.434 4.896 5.585 . 0 0 "[ . 1 . 2]" 1
118 1 8 GLN QG 1 89 GLU HA 0.000 . 6.400 2.139 1.967 3.175 . 0 0 "[ . 1 . 2]" 1
119 1 8 GLN QG 1 90 ALA H 0.000 . 6.400 3.332 3.126 3.685 . 0 0 "[ . 1 . 2]" 1
120 1 9 ALA H 1 9 ALA MB 0.000 . 3.100 2.635 2.598 2.692 . 0 0 "[ . 1 . 2]" 1
121 1 9 ALA H 1 10 GLU H 0.000 . 5.500 4.375 4.365 4.389 . 0 0 "[ . 1 . 2]" 1
122 1 9 ALA H 1 28 VAL HA 0.000 . 5.500 4.466 4.372 4.635 . 0 0 "[ . 1 . 2]" 1
123 1 9 ALA H 1 33 ILE MD 0.000 . 5.800 3.698 3.033 4.294 . 0 0 "[ . 1 . 2]" 1
124 1 9 ALA H 1 87 VAL HA 0.000 . 5.500 5.500 5.323 5.593 0.093 14 0 "[ . 1 . 2]" 1
125 1 9 ALA H 1 87 VAL MG1 0.000 . 3.800 3.554 3.414 3.727 . 0 0 "[ . 1 . 2]" 1
126 1 9 ALA H 1 88 ILE H 0.000 . 3.500 3.604 3.532 3.668 0.168 10 0 "[ . 1 . 2]" 1
127 1 9 ALA H 1 88 ILE HA 0.000 . 5.500 4.758 4.699 4.796 . 0 0 "[ . 1 . 2]" 1
128 1 9 ALA H 1 88 ILE HB 0.000 . 3.500 3.480 3.282 3.559 0.059 2 0 "[ . 1 . 2]" 1
129 1 9 ALA H 1 88 ILE QG 0.000 . 6.400 5.341 5.215 5.413 . 0 0 "[ . 1 . 2]" 1
130 1 9 ALA H 1 88 ILE MG 0.000 . 5.800 3.876 3.742 3.958 . 0 0 "[ . 1 . 2]" 1
131 1 9 ALA H 1 89 GLU HA 0.000 . 3.500 2.828 2.739 2.949 . 0 0 "[ . 1 . 2]" 1
132 1 9 ALA H 1 90 ALA H 0.000 . 5.500 3.927 3.815 4.077 . 0 0 "[ . 1 . 2]" 1
133 1 9 ALA HA 1 10 GLU H 0.000 . 2.800 2.461 2.398 2.525 . 0 0 "[ . 1 . 2]" 1
134 1 9 ALA HA 1 10 GLU HB2 0.000 . 5.500 4.309 3.952 4.763 . 0 0 "[ . 1 . 2]" 1
135 1 9 ALA HA 1 10 GLU HB3 0.000 . 5.500 5.568 5.371 5.603 0.103 1 0 "[ . 1 . 2]" 1
136 1 9 ALA HA 1 27 TYR H 0.000 . 5.500 4.658 4.577 4.745 . 0 0 "[ . 1 . 2]" 1
137 1 9 ALA HA 1 27 TYR QD 0.000 . 7.700 4.599 4.009 5.781 . 0 0 "[ . 1 . 2]" 1
138 1 9 ALA HA 1 28 VAL H 0.000 . 5.500 4.544 4.481 4.579 . 0 0 "[ . 1 . 2]" 1
139 1 9 ALA HA 1 28 VAL HA 0.000 . 2.800 2.180 2.099 2.237 . 0 0 "[ . 1 . 2]" 1
140 1 9 ALA HA 1 29 THR H 0.000 . 3.500 2.808 2.652 2.934 . 0 0 "[ . 1 . 2]" 1
141 1 9 ALA HA 1 29 THR HA 0.000 . 5.500 5.142 5.068 5.240 . 0 0 "[ . 1 . 2]" 1
142 1 9 ALA HA 1 29 THR HB 0.000 . 5.500 5.144 5.041 5.295 . 0 0 "[ . 1 . 2]" 1
143 1 9 ALA HA 1 29 THR MG 0.000 . 5.000 3.849 3.838 3.859 . 0 0 "[ . 1 . 2]" 1
144 1 9 ALA HA 1 30 ASP H 0.000 . 5.500 4.724 4.612 4.905 . 0 0 "[ . 1 . 2]" 1
145 1 9 ALA MB 1 10 GLU H 0.000 . 3.100 2.165 1.972 2.387 . 0 0 "[ . 1 . 2]" 1
146 1 9 ALA MB 1 10 GLU HA 0.000 . 5.800 3.996 3.950 4.040 . 0 0 "[ . 1 . 2]" 1
147 1 9 ALA MB 1 11 VAL H 0.000 . 5.800 4.760 4.616 4.879 . 0 0 "[ . 1 . 2]" 1
148 1 9 ALA MB 1 26 CYS HA 0.000 . 3.800 3.594 3.492 3.741 . 0 0 "[ . 1 . 2]" 1
149 1 9 ALA MB 1 26 CYS HB2 0.000 . 3.100 1.812 1.797 1.826 . 0 0 "[ . 1 . 2]" 1
150 1 9 ALA MB 1 26 CYS HB3 0.000 . 3.100 2.637 2.453 2.727 . 0 0 "[ . 1 . 2]" 1
151 1 9 ALA MB 1 27 TYR H 0.000 . 3.800 3.115 2.977 3.382 . 0 0 "[ . 1 . 2]" 1
152 1 9 ALA MB 1 28 VAL H 0.000 . 5.800 3.504 3.331 3.739 . 0 0 "[ . 1 . 2]" 1
153 1 9 ALA MB 1 28 VAL HA 0.000 . 3.100 2.043 1.923 2.355 . 0 0 "[ . 1 . 2]" 1
154 1 9 ALA MB 1 29 THR H 0.000 . 3.800 3.526 3.419 3.747 . 0 0 "[ . 1 . 2]" 1
155 1 9 ALA MB 1 30 ASP H 0.000 . 5.800 4.790 4.676 4.990 . 0 0 "[ . 1 . 2]" 1
156 1 9 ALA MB 1 71 GLU HA 0.000 . 5.800 4.962 4.576 5.223 . 0 0 "[ . 1 . 2]" 1
157 1 9 ALA MB 1 88 ILE H 0.000 . 3.800 3.817 3.698 3.871 0.071 7 0 "[ . 1 . 2]" 1
158 1 9 ALA MB 1 88 ILE HB 0.000 . 3.100 2.860 2.618 3.074 . 0 0 "[ . 1 . 2]" 1
159 1 10 GLU H 1 10 GLU HB2 0.000 . 3.500 2.485 2.376 2.695 . 0 0 "[ . 1 . 2]" 1
160 1 10 GLU H 1 10 GLU HB3 0.000 . 3.500 3.599 3.307 3.743 0.243 11 0 "[ . 1 . 2]" 1
161 1 10 GLU H 1 11 VAL H 0.000 . 5.500 4.321 4.251 4.384 . 0 0 "[ . 1 . 2]" 1
162 1 10 GLU H 1 11 VAL HA 0.000 . 5.500 4.935 4.898 5.023 . 0 0 "[ . 1 . 2]" 1
163 1 10 GLU H 1 26 CYS HA 0.000 . 5.500 3.846 3.722 3.953 . 0 0 "[ . 1 . 2]" 1
164 1 10 GLU H 1 26 CYS HB3 0.000 . 5.500 3.720 3.554 3.908 . 0 0 "[ . 1 . 2]" 1
165 1 10 GLU H 1 27 TYR H 0.000 . 3.500 2.457 2.382 2.586 . 0 0 "[ . 1 . 2]" 1
166 1 10 GLU H 1 27 TYR QD 0.000 . 7.700 4.019 3.602 4.850 . 0 0 "[ . 1 . 2]" 1
167 1 10 GLU H 1 28 VAL HA 0.000 . 3.500 3.679 3.648 3.701 0.201 14 0 "[ . 1 . 2]" 1
168 1 10 GLU H 1 29 THR H 0.000 . 5.500 4.972 4.762 5.083 . 0 0 "[ . 1 . 2]" 1
169 1 10 GLU H 1 29 THR MG 0.000 . 5.000 4.435 4.240 4.540 . 0 0 "[ . 1 . 2]" 1
170 1 10 GLU HA 1 11 VAL H 0.000 . 2.800 2.202 2.167 2.219 . 0 0 "[ . 1 . 2]" 1
171 1 10 GLU HA 1 11 VAL HA 0.000 . 5.500 4.379 4.354 4.402 . 0 0 "[ . 1 . 2]" 1
172 1 10 GLU HA 1 11 VAL MG1 0.000 . 5.800 4.330 4.257 4.417 . 0 0 "[ . 1 . 2]" 1
173 1 10 GLU HA 1 26 CYS HB2 0.000 . 5.000 5.090 5.040 5.115 0.115 7 0 "[ . 1 . 2]" 1
174 1 10 GLU HA 1 87 VAL HA 0.000 . 2.800 1.930 1.886 1.980 . 0 0 "[ . 1 . 2]" 1
175 1 10 GLU HA 1 87 VAL MG1 0.000 . 3.800 2.424 1.983 2.690 . 0 0 "[ . 1 . 2]" 1
176 1 10 GLU HA 1 87 VAL MG2 0.000 . 3.100 2.882 2.580 3.182 0.082 15 0 "[ . 1 . 2]" 1
177 1 10 GLU HA 1 88 ILE H 0.000 . 3.500 2.418 2.312 2.568 . 0 0 "[ . 1 . 2]" 1
178 1 10 GLU HB2 1 11 VAL H 0.000 . 5.500 4.396 4.114 4.573 . 0 0 "[ . 1 . 2]" 1
179 1 10 GLU HB2 1 12 ARG HE 0.000 . 5.500 3.887 3.346 4.566 . 0 0 "[ . 1 . 2]" 1
180 1 10 GLU HB2 1 27 TYR H 0.000 . 5.500 3.347 3.140 3.742 . 0 0 "[ . 1 . 2]" 1
181 1 10 GLU HB2 1 27 TYR QD 0.000 . 7.700 3.577 3.029 4.799 . 0 0 "[ . 1 . 2]" 1
182 1 10 GLU HB2 1 29 THR MG 0.000 . 5.800 4.164 3.727 4.744 . 0 0 "[ . 1 . 2]" 1
183 1 10 GLU HB2 1 88 ILE H 0.000 . 5.500 5.228 4.890 5.373 . 0 0 "[ . 1 . 2]" 1
184 1 10 GLU HB3 1 11 VAL H 0.000 . 5.500 3.497 3.364 3.803 . 0 0 "[ . 1 . 2]" 1
185 1 10 GLU HB3 1 11 VAL HA 0.000 . 5.500 5.086 4.933 5.301 . 0 0 "[ . 1 . 2]" 1
186 1 10 GLU HB3 1 12 ARG HE 0.000 . 5.500 3.778 3.294 4.455 . 0 0 "[ . 1 . 2]" 1
187 1 10 GLU HB3 1 27 TYR H 0.000 . 5.500 4.077 3.464 4.576 . 0 0 "[ . 1 . 2]" 1
188 1 10 GLU HB3 1 88 ILE H 0.000 . 5.500 4.996 4.710 5.245 . 0 0 "[ . 1 . 2]" 1
189 1 10 GLU QG 1 27 TYR QB 0.000 . 6.000 4.276 3.378 4.720 . 0 0 "[ . 1 . 2]" 1
190 1 10 GLU QG 1 29 THR HB 0.000 . 6.400 5.692 4.989 6.412 0.012 7 0 "[ . 1 . 2]" 1
191 1 11 VAL H 1 11 VAL MG1 0.000 . 3.800 2.668 2.550 2.772 . 0 0 "[ . 1 . 2]" 1
192 1 11 VAL H 1 86 ASP H 0.000 . 5.500 4.396 4.311 4.547 . 0 0 "[ . 1 . 2]" 1
193 1 11 VAL H 1 87 VAL HA 0.000 . 3.500 2.297 2.032 2.476 . 0 0 "[ . 1 . 2]" 1
194 1 11 VAL H 1 87 VAL MG1 0.000 . 5.800 4.055 3.741 4.247 . 0 0 "[ . 1 . 2]" 1
195 1 11 VAL H 1 87 VAL MG2 0.000 . 5.800 3.709 3.349 3.963 . 0 0 "[ . 1 . 2]" 1
196 1 11 VAL H 1 88 ILE H 0.000 . 5.500 3.104 2.933 3.283 . 0 0 "[ . 1 . 2]" 1
197 1 11 VAL HA 1 11 VAL HB 0.000 . 2.800 2.578 2.545 2.605 . 0 0 "[ . 1 . 2]" 1
198 1 11 VAL HA 1 11 VAL MG1 0.000 . 3.100 3.178 3.170 3.184 0.084 17 0 "[ . 1 . 2]" 1
199 1 11 VAL HA 1 11 VAL MG2 0.000 . 3.100 2.244 2.211 2.262 . 0 0 "[ . 1 . 2]" 1
200 1 11 VAL HA 1 12 ARG H 0.000 . 3.500 2.113 2.067 2.170 . 0 0 "[ . 1 . 2]" 1
201 1 11 VAL HA 1 12 ARG HA 0.000 . 5.500 4.342 4.330 4.368 . 0 0 "[ . 1 . 2]" 1
202 1 11 VAL HA 1 13 GLN H 0.000 . 5.500 4.053 3.849 4.191 . 0 0 "[ . 1 . 2]" 1
203 1 11 VAL HA 1 26 CYS HA 0.000 . 2.800 2.254 2.133 2.365 . 0 0 "[ . 1 . 2]" 1
204 1 11 VAL HA 1 26 CYS HB3 0.000 . 5.500 2.759 2.637 2.895 . 0 0 "[ . 1 . 2]" 1
205 1 11 VAL HA 1 27 TYR H 0.000 . 5.500 3.897 3.801 4.027 . 0 0 "[ . 1 . 2]" 1
206 1 11 VAL HA 1 86 ASP H 0.000 . 5.500 5.389 5.331 5.486 . 0 0 "[ . 1 . 2]" 1
207 1 11 VAL HB 1 12 ARG H 0.000 . 5.500 4.201 4.065 4.266 . 0 0 "[ . 1 . 2]" 1
208 1 11 VAL HB 1 12 ARG HE 0.000 . 5.000 5.327 5.294 5.351 0.351 14 0 "[ . 1 . 2]" 1
209 1 11 VAL HB 1 84 GLU HA 0.000 . 3.500 3.805 3.752 3.911 0.411 9 0 "[ . 1 . 2]" 1
210 1 11 VAL HB 1 85 GLY H 0.000 . 5.500 3.945 3.670 4.150 . 0 0 "[ . 1 . 2]" 1
211 1 11 VAL HB 1 86 ASP H 0.000 . 2.800 2.872 2.823 2.977 0.177 14 0 "[ . 1 . 2]" 1
212 1 11 VAL HB 1 86 ASP QB 0.000 . 6.400 4.916 4.754 5.072 . 0 0 "[ . 1 . 2]" 1
213 1 11 VAL HB 1 87 VAL H 0.000 . 5.500 5.165 4.993 5.247 . 0 0 "[ . 1 . 2]" 1
214 1 11 VAL HB 1 88 ILE QG 0.000 . 6.400 3.368 2.885 3.925 . 0 0 "[ . 1 . 2]" 1
215 1 11 VAL MG1 1 12 ARG H 0.000 . 5.800 3.539 3.302 3.662 . 0 0 "[ . 1 . 2]" 1
216 1 11 VAL MG1 1 13 GLN H 0.000 . 5.000 4.133 4.093 4.186 . 0 0 "[ . 1 . 2]" 1
217 1 11 VAL MG1 1 84 GLU H 0.000 . 5.800 3.885 3.811 3.998 . 0 0 "[ . 1 . 2]" 1
218 1 11 VAL MG1 1 84 GLU HA 0.000 . 3.100 1.798 1.752 1.833 . 0 0 "[ . 1 . 2]" 1
219 1 11 VAL MG1 1 85 GLY H 0.000 . 5.800 2.338 1.968 2.542 . 0 0 "[ . 1 . 2]" 1
220 1 11 VAL MG1 1 86 ASP H 0.000 . 3.800 2.047 1.947 2.187 . 0 0 "[ . 1 . 2]" 1
221 1 11 VAL MG1 1 86 ASP QB 0.000 . 6.700 4.041 3.895 4.334 . 0 0 "[ . 1 . 2]" 1
222 1 11 VAL MG1 1 87 VAL H 0.000 . 5.800 4.451 4.311 4.637 . 0 0 "[ . 1 . 2]" 1
223 1 11 VAL MG2 1 12 ARG H 0.000 . 5.800 2.521 2.233 2.665 . 0 0 "[ . 1 . 2]" 1
224 1 11 VAL MG2 1 26 CYS HA 0.000 . 5.800 3.907 3.786 4.016 . 0 0 "[ . 1 . 2]" 1
225 1 11 VAL MG2 1 84 GLU HA 0.000 . 3.100 2.076 1.951 2.364 . 0 0 "[ . 1 . 2]" 1
226 1 11 VAL MG2 1 85 GLY H 0.000 . 5.800 2.452 2.300 2.668 . 0 0 "[ . 1 . 2]" 1
227 1 11 VAL MG2 1 86 ASP H 0.000 . 5.000 3.277 3.239 3.309 . 0 0 "[ . 1 . 2]" 1
228 1 11 VAL MG2 1 88 ILE H 0.000 . 5.800 5.583 5.351 5.816 0.016 14 0 "[ . 1 . 2]" 1
229 1 12 ARG H 1 13 GLN H 0.000 . 3.500 2.224 2.039 2.319 . 0 0 "[ . 1 . 2]" 1
230 1 12 ARG H 1 26 CYS HA 0.000 . 5.500 2.613 2.481 3.000 . 0 0 "[ . 1 . 2]" 1
231 1 12 ARG H 1 27 TYR H 0.000 . 5.500 4.158 3.927 4.592 . 0 0 "[ . 1 . 2]" 1
232 1 12 ARG HA 1 12 ARG HB2 0.000 . 2.800 2.965 2.881 3.000 0.200 18 0 "[ . 1 . 2]" 1
233 1 12 ARG HA 1 12 ARG HB3 0.000 . 2.800 2.509 2.367 2.817 0.017 4 0 "[ . 1 . 2]" 1
234 1 12 ARG HA 1 12 ARG QD 0.000 . 4.400 2.928 2.634 3.303 . 0 0 "[ . 1 . 2]" 1
235 1 12 ARG HA 1 12 ARG QG 0.000 . 2.800 2.800 2.284 3.052 0.252 13 0 "[ . 1 . 2]" 1
236 1 12 ARG HA 1 13 GLN QG 0.000 . 6.400 5.230 5.008 5.463 . 0 0 "[ . 1 . 2]" 1
237 1 12 ARG HB2 1 25 GLY H 0.000 . 5.500 3.889 3.570 4.545 . 0 0 "[ . 1 . 2]" 1
238 1 12 ARG HB2 1 25 GLY QA 0.000 . 6.400 2.769 2.485 3.114 . 0 0 "[ . 1 . 2]" 1
239 1 12 ARG HB3 1 12 ARG HE 0.000 . 5.500 3.934 3.758 4.227 . 0 0 "[ . 1 . 2]" 1
240 1 12 ARG HB3 1 25 GLY QA 0.000 . 6.400 4.019 3.620 4.272 . 0 0 "[ . 1 . 2]" 1
241 1 12 ARG HB3 1 26 CYS H 0.000 . 5.500 5.596 5.559 5.651 0.151 13 0 "[ . 1 . 2]" 1
242 1 12 ARG HB3 1 26 CYS HA 0.000 . 5.500 5.070 4.879 5.205 . 0 0 "[ . 1 . 2]" 1
243 1 12 ARG HB3 1 27 TYR H 0.000 . 5.500 5.562 5.476 5.656 0.156 4 0 "[ . 1 . 2]" 1
244 1 12 ARG HB3 1 27 TYR QB 0.000 . 6.400 5.192 4.957 5.478 . 0 0 "[ . 1 . 2]" 1
245 1 12 ARG QD 1 27 TYR QD 0.000 . 8.600 3.395 1.933 4.053 . 0 0 "[ . 1 . 2]" 1
246 1 12 ARG HE 1 27 TYR QB 0.000 . 6.400 2.997 2.721 3.155 . 0 0 "[ . 1 . 2]" 1
247 1 12 ARG QG 1 26 CYS HA 0.000 . 5.500 2.960 2.122 4.831 . 0 0 "[ . 1 . 2]" 1
248 1 12 ARG HG2 1 27 TYR H 0.000 . 5.500 3.627 2.945 5.016 . 0 0 "[ . 1 . 2]" 1
249 1 13 GLN H 1 13 GLN HB2 0.000 . 3.500 3.079 3.035 3.114 . 0 0 "[ . 1 . 2]" 1
250 1 13 GLN H 1 14 THR H 0.000 . 5.500 4.264 4.237 4.299 . 0 0 "[ . 1 . 2]" 1
251 1 13 GLN H 1 14 THR MG 0.000 . 5.800 3.998 3.921 4.090 . 0 0 "[ . 1 . 2]" 1
252 1 13 GLN H 1 25 GLY H 0.000 . 5.500 2.733 2.560 2.922 . 0 0 "[ . 1 . 2]" 1
253 1 13 GLN H 1 26 CYS HA 0.000 . 5.500 4.670 4.431 4.860 . 0 0 "[ . 1 . 2]" 1
254 1 13 GLN HA 1 13 GLN HB3 0.000 . 2.800 2.862 2.856 2.873 0.073 15 0 "[ . 1 . 2]" 1
255 1 13 GLN HA 1 13 GLN QG 0.000 . 3.700 1.972 1.956 2.013 . 0 0 "[ . 1 . 2]" 1
256 1 13 GLN HA 1 14 THR H 0.000 . 3.500 2.857 2.792 2.917 . 0 0 "[ . 1 . 2]" 1
257 1 13 GLN HA 1 83 LYS HB3 0.000 . 5.500 4.930 4.266 5.195 . 0 0 "[ . 1 . 2]" 1
258 1 13 GLN HA 1 84 GLU HA 0.000 . 3.500 2.711 2.551 2.941 . 0 0 "[ . 1 . 2]" 1
259 1 13 GLN HB2 1 14 THR H 0.000 . 3.500 3.496 3.477 3.525 0.025 5 0 "[ . 1 . 2]" 1
260 1 13 GLN HB2 1 84 GLU H 0.000 . 4.000 4.290 4.237 4.352 0.352 7 0 "[ . 1 . 2]" 1
261 1 13 GLN HB3 1 14 THR H 0.000 . 3.500 1.977 1.934 2.036 . 0 0 "[ . 1 . 2]" 1
262 1 13 GLN HB3 1 15 PHE QD 0.000 . 7.700 4.698 3.794 6.015 . 0 0 "[ . 1 . 2]" 1
263 1 13 GLN QG 1 14 THR HA 0.000 . 6.400 5.160 4.955 5.504 . 0 0 "[ . 1 . 2]" 1
264 1 13 GLN QG 1 84 GLU HA 0.000 . 3.700 3.851 3.786 4.093 0.393 16 0 "[ . 1 . 2]" 1
265 1 14 THR H 1 14 THR MG 0.000 . 3.800 2.971 2.908 3.058 . 0 0 "[ . 1 . 2]" 1
266 1 14 THR H 1 15 PHE H 0.000 . 5.500 4.366 4.272 4.412 . 0 0 "[ . 1 . 2]" 1
267 1 14 THR HA 1 14 THR HB 0.000 . 2.800 2.349 2.313 2.391 . 0 0 "[ . 1 . 2]" 1
268 1 14 THR HA 1 14 THR MG 0.000 . 3.100 2.541 2.481 2.658 . 0 0 "[ . 1 . 2]" 1
269 1 14 THR HA 1 15 PHE H 0.000 . 2.800 2.394 2.219 2.668 . 0 0 "[ . 1 . 2]" 1
270 1 14 THR HA 1 15 PHE HB2 0.000 . 5.500 4.342 4.141 4.636 . 0 0 "[ . 1 . 2]" 1
271 1 14 THR HA 1 15 PHE HB3 0.000 . 5.500 5.601 5.542 5.651 0.151 7 0 "[ . 1 . 2]" 1
272 1 14 THR HA 1 15 PHE QD 0.000 . 5.700 3.635 2.749 5.153 . 0 0 "[ . 1 . 2]" 1
273 1 14 THR HA 1 15 PHE QE 0.000 . 7.700 5.224 4.427 6.603 . 0 0 "[ . 1 . 2]" 1
274 1 14 THR HA 1 23 ILE HB 0.000 . 5.500 4.986 4.734 5.121 . 0 0 "[ . 1 . 2]" 1
275 1 14 THR HA 1 24 ALA HA 0.000 . 2.800 1.830 1.789 1.876 . 0 0 "[ . 1 . 2]" 1
276 1 14 THR HA 1 24 ALA MB 0.000 . 3.100 3.261 3.202 3.347 0.247 13 0 "[ . 1 . 2]" 1
277 1 14 THR HA 1 25 GLY H 0.000 . 5.500 2.919 2.717 3.082 . 0 0 "[ . 1 . 2]" 1
278 1 14 THR HA 1 25 GLY QA 0.000 . 6.400 4.707 4.500 4.868 . 0 0 "[ . 1 . 2]" 1
279 1 14 THR HB 1 15 PHE H 0.000 . 3.500 2.574 2.064 2.985 . 0 0 "[ . 1 . 2]" 1
280 1 14 THR HB 1 15 PHE QD 0.000 . 7.700 5.110 4.474 6.223 . 0 0 "[ . 1 . 2]" 1
281 1 14 THR HB 1 22 THR MG 0.000 . 5.000 3.138 3.116 3.163 . 0 0 "[ . 1 . 2]" 1
282 1 14 THR HB 1 23 ILE HB 0.000 . 5.500 5.752 5.678 5.804 0.304 8 0 "[ . 1 . 2]" 1
283 1 14 THR HB 1 24 ALA HA 0.000 . 3.500 2.945 2.479 3.180 . 0 0 "[ . 1 . 2]" 1
284 1 14 THR HB 1 24 ALA MB 0.000 . 3.800 2.858 2.452 3.256 . 0 0 "[ . 1 . 2]" 1
285 1 14 THR HB 1 25 GLY H 0.000 . 5.500 4.826 4.524 4.994 . 0 0 "[ . 1 . 2]" 1
286 1 14 THR HB 1 75 THR HA 0.000 . 5.500 5.483 5.292 5.614 0.114 17 0 "[ . 1 . 2]" 1
287 1 14 THR HB 1 82 ILE HB 0.000 . 3.500 3.674 3.611 3.774 0.274 17 0 "[ . 1 . 2]" 1
288 1 14 THR MG 1 15 PHE H 0.000 . 5.800 3.980 3.723 4.195 . 0 0 "[ . 1 . 2]" 1
289 1 14 THR MG 1 22 THR MG 0.000 . 5.000 3.884 3.796 3.999 . 0 0 "[ . 1 . 2]" 1
290 1 14 THR MG 1 24 ALA HA 0.000 . 3.100 2.279 1.954 2.558 . 0 0 "[ . 1 . 2]" 1
291 1 14 THR MG 1 24 ALA MB 0.000 . 3.400 1.978 1.825 2.321 . 0 0 "[ . 1 . 2]" 1
292 1 14 THR MG 1 25 GLY H 0.000 . 5.800 3.393 3.231 3.628 . 0 0 "[ . 1 . 2]" 1
293 1 14 THR MG 1 82 ILE HA 0.000 . 5.800 2.552 2.057 2.813 . 0 0 "[ . 1 . 2]" 1
294 1 14 THR MG 1 83 LYS HA 0.000 . 3.100 2.361 2.052 3.104 0.004 8 0 "[ . 1 . 2]" 1
295 1 14 THR MG 1 84 GLU H 0.000 . 5.800 2.705 2.151 3.654 . 0 0 "[ . 1 . 2]" 1
296 1 15 PHE H 1 22 THR MG 0.000 . 5.800 3.885 3.294 4.272 . 0 0 "[ . 1 . 2]" 1
297 1 15 PHE H 1 23 ILE H 0.000 . 5.500 3.045 2.709 3.372 . 0 0 "[ . 1 . 2]" 1
298 1 15 PHE H 1 23 ILE HB 0.000 . 5.500 3.470 3.022 3.997 . 0 0 "[ . 1 . 2]" 1
299 1 15 PHE H 1 23 ILE MG 0.000 . 5.800 3.616 2.726 4.255 . 0 0 "[ . 1 . 2]" 1
300 1 15 PHE HA 1 15 PHE HB2 0.000 . 2.800 2.927 2.850 2.971 0.171 15 0 "[ . 1 . 2]" 1
301 1 15 PHE HA 1 15 PHE HB3 0.000 . 2.800 2.623 2.451 2.804 0.004 3 0 "[ . 1 . 2]" 1
302 1 15 PHE HA 1 15 PHE QE 0.000 . 5.700 4.376 4.107 4.556 . 0 0 "[ . 1 . 2]" 1
303 1 15 PHE HA 1 16 LYS H 0.000 . 2.800 2.342 2.258 2.406 . 0 0 "[ . 1 . 2]" 1
304 1 15 PHE HA 1 17 VAL MG2 0.000 . 3.800 2.962 2.855 3.129 . 0 0 "[ . 1 . 2]" 1
305 1 15 PHE HA 1 23 ILE MG 0.000 . 5.800 4.656 4.226 4.833 . 0 0 "[ . 1 . 2]" 1
306 1 15 PHE HB2 1 16 LYS H 0.000 . 5.500 4.563 4.468 4.665 . 0 0 "[ . 1 . 2]" 1
307 1 15 PHE HB2 1 17 VAL MG2 0.000 . 3.800 3.826 3.691 3.879 0.079 11 0 "[ . 1 . 2]" 1
308 1 15 PHE HB2 1 22 THR H 0.000 . 5.500 4.239 3.749 4.770 . 0 0 "[ . 1 . 2]" 1
309 1 15 PHE HB2 1 23 ILE H 0.000 . 5.500 2.270 1.860 2.825 . 0 0 "[ . 1 . 2]" 1
310 1 15 PHE HB2 1 23 ILE HA 0.000 . 5.500 3.976 3.812 4.253 . 0 0 "[ . 1 . 2]" 1
311 1 15 PHE HB2 1 23 ILE HB 0.000 . 2.800 1.766 1.684 1.884 . 0 0 "[ . 1 . 2]" 1
312 1 15 PHE HB2 1 23 ILE MG 0.000 . 5.000 2.846 2.504 3.175 . 0 0 "[ . 1 . 2]" 1
313 1 15 PHE HB3 1 16 LYS H 0.000 . 5.500 4.203 4.169 4.233 . 0 0 "[ . 1 . 2]" 1
314 1 15 PHE HB3 1 17 VAL MG2 0.000 . 5.000 2.372 2.239 2.633 . 0 0 "[ . 1 . 2]" 1
315 1 15 PHE HB3 1 20 VAL HB 0.000 . 4.000 3.121 2.868 3.628 . 0 0 "[ . 1 . 2]" 1
316 1 15 PHE HB3 1 23 ILE HA 0.000 . 5.500 5.442 5.304 5.631 0.131 14 0 "[ . 1 . 2]" 1
317 1 15 PHE HB3 1 23 ILE MG 0.000 . 5.800 3.971 3.890 4.072 . 0 0 "[ . 1 . 2]" 1
318 1 15 PHE QD 1 16 LYS H 0.000 . 7.700 4.286 3.559 4.824 . 0 0 "[ . 1 . 2]" 1
319 1 15 PHE QD 1 17 VAL MG2 0.000 . 6.000 2.667 1.891 3.968 . 0 0 "[ . 1 . 2]" 1
320 1 15 PHE QD 1 23 ILE HA 0.000 . 7.700 5.035 4.870 6.043 . 0 0 "[ . 1 . 2]" 1
321 1 15 PHE QD 1 23 ILE HB 0.000 . 5.000 2.909 2.353 3.820 . 0 0 "[ . 1 . 2]" 1
322 1 15 PHE QD 1 23 ILE MG 0.000 . 5.300 2.411 1.927 3.569 . 0 0 "[ . 1 . 2]" 1
323 1 15 PHE QD 1 24 ALA HA 0.000 . 7.700 4.871 4.018 6.163 . 0 0 "[ . 1 . 2]" 1
324 1 15 PHE QE 1 23 ILE HB 0.000 . 7.700 4.608 3.878 5.554 . 0 0 "[ . 1 . 2]" 1
325 1 15 PHE QE 1 24 ALA HA 0.000 . 7.700 6.224 5.229 7.672 . 0 0 "[ . 1 . 2]" 1
326 1 15 PHE QE 1 73 GLY QA 0.000 . 8.600 4.766 3.689 6.489 . 0 0 "[ . 1 . 2]" 1
327 1 16 LYS H 1 16 LYS QB 0.000 . 3.700 2.366 2.254 2.962 . 0 0 "[ . 1 . 2]" 1
328 1 16 LYS H 1 16 LYS QG 0.000 . 4.400 3.786 1.977 4.049 . 0 0 "[ . 1 . 2]" 1
329 1 16 LYS H 1 17 VAL H 0.000 . 5.500 3.483 3.445 3.510 . 0 0 "[ . 1 . 2]" 1
330 1 16 LYS H 1 17 VAL MG2 0.000 . 5.800 3.663 3.560 3.807 . 0 0 "[ . 1 . 2]" 1
331 1 16 LYS HA 1 16 LYS QE 0.000 . 5.500 4.378 3.622 4.837 . 0 0 "[ . 1 . 2]" 1
332 1 16 LYS HA 1 16 LYS QG 0.000 . 3.700 2.372 2.121 3.422 . 0 0 "[ . 1 . 2]" 1
333 1 16 LYS HA 1 17 VAL H 0.000 . 2.800 2.414 2.382 2.453 . 0 0 "[ . 1 . 2]" 1
334 1 16 LYS HA 1 20 VAL HB 0.000 . 5.500 5.614 5.574 5.637 0.137 13 0 "[ . 1 . 2]" 1
335 1 16 LYS HA 1 22 THR HA 0.000 . 2.800 2.728 2.618 2.858 0.058 13 0 "[ . 1 . 2]" 1
336 1 16 LYS HA 1 22 THR HB 0.000 . 5.500 4.867 4.722 4.997 . 0 0 "[ . 1 . 2]" 1
337 1 16 LYS HA 1 22 THR MG 0.000 . 3.100 2.315 2.065 2.512 . 0 0 "[ . 1 . 2]" 1
338 1 16 LYS HA 1 23 ILE H 0.000 . 5.500 5.046 4.869 5.157 . 0 0 "[ . 1 . 2]" 1
339 1 16 LYS QB 1 17 VAL H 0.000 . 6.400 3.947 3.897 3.975 . 0 0 "[ . 1 . 2]" 1
340 1 16 LYS QB 1 17 VAL HA 0.000 . 6.400 4.590 4.494 4.765 . 0 0 "[ . 1 . 2]" 1
341 1 16 LYS QB 1 22 THR HA 0.000 . 4.400 3.748 3.497 3.936 . 0 0 "[ . 1 . 2]" 1
342 1 16 LYS QE 1 22 THR MG 0.000 . 6.000 4.015 3.122 4.732 . 0 0 "[ . 1 . 2]" 1
343 1 16 LYS QG 1 17 VAL H 0.000 . 6.400 4.150 3.988 4.735 . 0 0 "[ . 1 . 2]" 1
344 1 16 LYS QG 1 22 THR HA 0.000 . 4.400 4.178 3.811 4.473 0.073 2 0 "[ . 1 . 2]" 1
345 1 16 LYS QG 1 22 THR MG 0.000 . 6.700 2.411 1.937 3.446 . 0 0 "[ . 1 . 2]" 1
346 1 17 VAL H 1 17 VAL HB 0.000 . 3.500 2.306 2.227 2.440 . 0 0 "[ . 1 . 2]" 1
347 1 17 VAL H 1 17 VAL MG2 0.000 . 3.800 2.484 2.307 2.626 . 0 0 "[ . 1 . 2]" 1
348 1 17 VAL H 1 20 VAL HB 0.000 . 5.500 3.648 3.513 3.744 . 0 0 "[ . 1 . 2]" 1
349 1 17 VAL H 1 21 GLY H 0.000 . 5.500 3.388 3.286 3.466 . 0 0 "[ . 1 . 2]" 1
350 1 17 VAL H 1 22 THR HA 0.000 . 5.500 3.872 3.798 3.948 . 0 0 "[ . 1 . 2]" 1
351 1 17 VAL HA 1 17 VAL MG1 0.000 . 3.100 2.514 2.470 2.569 . 0 0 "[ . 1 . 2]" 1
352 1 17 VAL HA 1 17 VAL MG2 0.000 . 3.100 2.245 2.182 2.347 . 0 0 "[ . 1 . 2]" 1
353 1 17 VAL HA 1 18 SER H 0.000 . 5.500 2.357 2.341 2.376 . 0 0 "[ . 1 . 2]" 1
354 1 17 VAL HB 1 20 VAL HA 0.000 . 5.500 4.603 4.419 4.779 . 0 0 "[ . 1 . 2]" 1
355 1 17 VAL HB 1 21 GLY H 0.000 . 3.500 3.211 3.125 3.343 . 0 0 "[ . 1 . 2]" 1
356 1 17 VAL MG1 1 18 SER H 0.000 . 5.800 1.973 1.904 2.074 . 0 0 "[ . 1 . 2]" 1
357 1 17 VAL MG1 1 19 LYS H 0.000 . 5.800 1.947 1.930 2.055 . 0 0 "[ . 1 . 2]" 1
358 1 17 VAL MG1 1 20 VAL H 0.000 . 3.800 2.240 1.969 3.004 . 0 0 "[ . 1 . 2]" 1
359 1 17 VAL MG1 1 20 VAL HB 0.000 . 5.000 3.306 3.262 3.343 . 0 0 "[ . 1 . 2]" 1
360 1 17 VAL MG1 1 21 GLY H 0.000 . 5.800 4.454 4.364 4.535 . 0 0 "[ . 1 . 2]" 1
361 1 17 VAL MG2 1 18 SER H 0.000 . 5.800 3.824 3.747 3.950 . 0 0 "[ . 1 . 2]" 1
362 1 18 SER HA 1 19 LYS H 0.000 . 2.800 2.852 2.819 2.993 0.193 8 0 "[ . 1 . 2]" 1
363 1 19 LYS H 1 19 LYS HA 0.000 . 2.800 2.862 2.859 2.865 0.065 15 0 "[ . 1 . 2]" 1
364 1 19 LYS H 1 20 VAL H 0.000 . 3.500 1.824 1.796 1.841 . 0 0 "[ . 1 . 2]" 1
365 1 19 LYS HA 1 19 LYS HB2 0.000 . 2.800 2.846 2.823 2.972 0.172 6 0 "[ . 1 . 2]" 1
366 1 19 LYS HA 1 19 LYS HB3 0.000 . 2.800 2.817 2.322 2.856 0.056 18 0 "[ . 1 . 2]" 1
367 1 19 LYS HA 1 19 LYS QG 0.000 . 3.700 2.192 2.060 2.694 . 0 0 "[ . 1 . 2]" 1
368 1 19 LYS HA 1 20 VAL H 0.000 . 3.500 3.525 3.269 3.560 0.060 5 0 "[ . 1 . 2]" 1
369 1 19 LYS HB2 1 20 VAL H 0.000 . 5.500 3.444 2.885 4.069 . 0 0 "[ . 1 . 2]" 1
370 1 19 LYS HB3 1 20 VAL H 0.000 . 5.500 3.333 3.140 4.104 . 0 0 "[ . 1 . 2]" 1
371 1 19 LYS QG 1 20 VAL H 0.000 . 6.400 4.547 3.779 4.754 . 0 0 "[ . 1 . 2]" 1
372 1 20 VAL H 1 20 VAL HA 0.000 . 2.800 2.886 2.881 2.898 0.098 15 0 "[ . 1 . 2]" 1
373 1 20 VAL H 1 20 VAL HB 0.000 . 2.800 2.505 2.457 2.759 . 0 0 "[ . 1 . 2]" 1
374 1 20 VAL H 1 21 GLY H 0.000 . 2.800 3.239 3.145 3.272 0.472 16 0 "[ . 1 . 2]" 1
375 1 20 VAL HA 1 20 VAL HB 0.000 . 2.800 3.022 3.017 3.028 0.228 5 0 "[ . 1 . 2]" 1
376 1 20 VAL HA 1 21 GLY H 0.000 . 3.500 3.443 3.429 3.471 . 0 0 "[ . 1 . 2]" 1
377 1 20 VAL HB 1 21 GLY H 0.000 . 2.800 1.909 1.878 1.927 . 0 0 "[ . 1 . 2]" 1
378 1 21 GLY H 1 22 THR H 0.000 . 5.500 3.368 3.245 3.571 . 0 0 "[ . 1 . 2]" 1
379 1 21 GLY QA 1 22 THR H 0.000 . 4.400 2.081 2.053 2.100 . 0 0 "[ . 1 . 2]" 1
380 1 21 GLY QA 1 22 THR HA 0.000 . 6.400 4.078 4.051 4.091 . 0 0 "[ . 1 . 2]" 1
381 1 22 THR H 1 22 THR HB 0.000 . 3.500 3.565 3.532 3.638 0.138 14 0 "[ . 1 . 2]" 1
382 1 22 THR HA 1 22 THR HB 0.000 . 2.800 2.818 2.762 2.841 0.041 5 0 "[ . 1 . 2]" 1
383 1 22 THR HA 1 22 THR MG 0.000 . 3.100 2.171 2.054 2.219 . 0 0 "[ . 1 . 2]" 1
384 1 22 THR HA 1 23 ILE H 0.000 . 3.500 2.795 2.502 2.865 . 0 0 "[ . 1 . 2]" 1
385 1 22 THR HA 1 23 ILE HA 0.000 . 5.500 4.800 4.648 4.830 . 0 0 "[ . 1 . 2]" 1
386 1 22 THR HA 1 23 ILE MG 0.000 . 5.800 5.363 4.849 5.478 . 0 0 "[ . 1 . 2]" 1
387 1 22 THR MG 1 23 ILE H 0.000 . 5.800 4.399 4.266 4.436 . 0 0 "[ . 1 . 2]" 1
388 1 22 THR MG 1 23 ILE HA 0.000 . 5.800 5.657 5.606 5.756 . 0 0 "[ . 1 . 2]" 1
389 1 22 THR MG 1 82 ILE HB 0.000 . 3.100 2.705 1.959 3.177 0.077 11 0 "[ . 1 . 2]" 1
390 1 23 ILE HA 1 23 ILE HB 0.000 . 2.800 2.920 2.811 2.948 0.148 12 0 "[ . 1 . 2]" 1
391 1 23 ILE HA 1 23 ILE MG 0.000 . 3.100 2.797 2.715 3.056 . 0 0 "[ . 1 . 2]" 1
392 1 23 ILE HA 1 24 ALA H 0.000 . 5.500 2.280 2.127 3.492 . 0 0 "[ . 1 . 2]" 1
393 1 23 ILE HA 1 24 ALA HA 0.000 . 5.500 4.496 4.391 5.292 . 0 0 "[ . 1 . 2]" 1
394 1 23 ILE HA 1 24 ALA MB 0.000 . 5.000 3.938 3.894 3.984 . 0 0 "[ . 1 . 2]" 1
395 1 23 ILE HA 1 74 LEU H 0.000 . 5.500 4.267 4.064 4.587 . 0 0 "[ . 1 . 2]" 1
396 1 23 ILE HA 1 75 THR HA 0.000 . 2.800 2.769 2.498 3.013 0.213 14 0 "[ . 1 . 2]" 1
397 1 23 ILE HA 1 75 THR MG 0.000 . 3.100 2.588 1.976 3.149 0.049 2 0 "[ . 1 . 2]" 1
398 1 23 ILE MG 1 24 ALA H 0.000 . 3.800 3.426 2.722 3.555 . 0 0 "[ . 1 . 2]" 1
399 1 23 ILE MG 1 25 GLY H 0.000 . 5.800 4.004 3.361 4.226 . 0 0 "[ . 1 . 2]" 1
400 1 23 ILE MG 1 25 GLY QA 0.000 . 6.700 3.793 3.372 3.955 . 0 0 "[ . 1 . 2]" 1
401 1 23 ILE MG 1 73 GLY QA 0.000 . 4.700 2.186 2.024 2.499 . 0 0 "[ . 1 . 2]" 1
402 1 23 ILE MG 1 74 LEU H 0.000 . 5.000 3.158 3.089 3.254 . 0 0 "[ . 1 . 2]" 1
403 1 24 ALA H 1 74 LEU H 0.000 . 5.500 3.752 3.417 5.152 . 0 0 "[ . 1 . 2]" 1
404 1 24 ALA H 1 75 THR MG 0.000 . 5.800 3.592 3.014 4.415 . 0 0 "[ . 1 . 2]" 1
405 1 24 ALA HA 1 25 GLY H 0.000 . 3.500 2.132 2.099 2.257 . 0 0 "[ . 1 . 2]" 1
406 1 24 ALA HA 1 25 GLY QA 0.000 . 6.400 3.900 3.874 3.997 . 0 0 "[ . 1 . 2]" 1
407 1 24 ALA MB 1 25 GLY H 0.000 . 5.800 3.280 3.165 3.526 . 0 0 "[ . 1 . 2]" 1
408 1 24 ALA MB 1 74 LEU H 0.000 . 3.800 3.881 3.829 3.957 0.157 4 0 "[ . 1 . 2]" 1
409 1 24 ALA MB 1 79 PHE QD 0.000 . 8.000 3.051 2.589 4.329 . 0 0 "[ . 1 . 2]" 1
410 1 25 GLY H 1 26 CYS H 0.000 . 5.500 4.557 4.454 4.588 . 0 0 "[ . 1 . 2]" 1
411 1 25 GLY QA 1 26 CYS H 0.000 . 3.700 2.192 2.120 2.227 . 0 0 "[ . 1 . 2]" 1
412 1 25 GLY QA 1 73 GLY QA 0.000 . 7.300 2.029 1.919 2.301 . 0 0 "[ . 1 . 2]" 1
413 1 25 GLY QA 1 74 LEU H 0.000 . 6.400 2.719 2.525 2.973 . 0 0 "[ . 1 . 2]" 1
414 1 26 CYS H 1 26 CYS HB2 0.000 . 3.500 3.439 3.312 3.479 . 0 0 "[ . 1 . 2]" 1
415 1 26 CYS H 1 26 CYS HB3 0.000 . 3.500 3.831 3.745 3.855 0.355 15 0 "[ . 1 . 2]" 1
416 1 26 CYS H 1 26 CYS HG 0.000 . 5.500 3.342 2.466 4.090 . 0 0 "[ . 1 . 2]" 1
417 1 26 CYS H 1 27 TYR H 0.000 . 5.500 4.255 4.214 4.347 . 0 0 "[ . 1 . 2]" 1
418 1 26 CYS H 1 72 CYS H 0.000 . 3.500 2.778 2.525 3.172 . 0 0 "[ . 1 . 2]" 1
419 1 26 CYS H 1 72 CYS HA 0.000 . 5.500 4.965 4.699 5.202 . 0 0 "[ . 1 . 2]" 1
420 1 26 CYS H 1 73 GLY QA 0.000 . 6.400 3.926 3.753 4.188 . 0 0 "[ . 1 . 2]" 1
421 1 26 CYS H 1 74 LEU H 0.000 . 5.500 4.364 4.020 4.588 . 0 0 "[ . 1 . 2]" 1
422 1 26 CYS HA 1 26 CYS HB2 0.000 . 2.800 2.851 2.845 2.890 0.090 4 0 "[ . 1 . 2]" 1
423 1 26 CYS HA 1 27 TYR H 0.000 . 2.800 2.188 2.159 2.206 . 0 0 "[ . 1 . 2]" 1
424 1 26 CYS HA 1 27 TYR HA 0.000 . 5.500 4.390 4.380 4.398 . 0 0 "[ . 1 . 2]" 1
425 1 26 CYS HA 1 27 TYR QB 0.000 . 6.400 4.107 4.051 4.129 . 0 0 "[ . 1 . 2]" 1
426 1 26 CYS HB2 1 27 TYR H 0.000 . 3.500 3.473 3.422 3.573 0.073 4 0 "[ . 1 . 2]" 1
427 1 26 CYS HB3 1 27 TYR H 0.000 . 3.500 3.520 3.468 3.567 0.067 5 0 "[ . 1 . 2]" 1
428 1 26 CYS HB3 1 88 ILE HB 0.000 . 2.800 3.128 3.059 3.203 0.403 13 0 "[ . 1 . 2]" 1
429 1 27 TYR H 1 28 VAL H 0.000 . 5.500 4.485 4.439 4.541 . 0 0 "[ . 1 . 2]" 1
430 1 27 TYR H 1 28 VAL HA 0.000 . 5.500 5.028 4.992 5.083 . 0 0 "[ . 1 . 2]" 1
431 1 27 TYR H 1 71 GLU HA 0.000 . 5.500 4.822 4.670 5.004 . 0 0 "[ . 1 . 2]" 1
432 1 27 TYR HA 1 28 VAL H 0.000 . 2.800 2.200 2.172 2.248 . 0 0 "[ . 1 . 2]" 1
433 1 27 TYR HA 1 71 GLU HA 0.000 . 2.800 2.548 2.221 2.786 . 0 0 "[ . 1 . 2]" 1
434 1 27 TYR HA 1 71 GLU QG 0.000 . 6.400 2.890 1.974 3.684 . 0 0 "[ . 1 . 2]" 1
435 1 27 TYR HA 1 72 CYS H 0.000 . 5.500 4.216 3.749 4.487 . 0 0 "[ . 1 . 2]" 1
436 1 27 TYR QB 1 28 VAL H 0.000 . 6.400 3.778 3.647 3.833 . 0 0 "[ . 1 . 2]" 1
437 1 27 TYR QB 1 71 GLU HA 0.000 . 6.400 4.252 3.606 4.699 . 0 0 "[ . 1 . 2]" 1
438 1 27 TYR QD 1 28 VAL H 0.000 . 5.700 3.241 2.213 3.679 . 0 0 "[ . 1 . 2]" 1
439 1 27 TYR QD 1 28 VAL HA 0.000 . 7.700 4.337 3.821 5.364 . 0 0 "[ . 1 . 2]" 1
440 1 27 TYR QD 1 29 THR MG 0.000 . 5.300 2.744 2.226 3.728 . 0 0 "[ . 1 . 2]" 1
441 1 27 TYR QD 1 70 TYR HA 0.000 . 7.700 4.531 3.960 5.141 . 0 0 "[ . 1 . 2]" 1
442 1 27 TYR QD 1 71 GLU HA 0.000 . 5.700 4.092 2.914 4.751 . 0 0 "[ . 1 . 2]" 1
443 1 27 TYR QD 1 71 GLU HB3 0.000 . 7.700 3.930 2.427 4.594 . 0 0 "[ . 1 . 2]" 1
444 1 27 TYR QD 1 71 GLU QG 0.000 . 5.900 2.114 1.857 2.915 . 0 0 "[ . 1 . 2]" 1
445 1 27 TYR QD 1 72 CYS H 0.000 . 7.700 5.987 4.962 6.477 . 0 0 "[ . 1 . 2]" 1
446 1 27 TYR QE 1 28 VAL H 0.000 . 7.700 4.406 3.798 4.671 . 0 0 "[ . 1 . 2]" 1
447 1 27 TYR QE 1 29 THR MG 0.000 . 5.300 2.669 1.896 4.970 . 0 0 "[ . 1 . 2]" 1
448 1 27 TYR QE 1 69 GLY QA 0.000 . 8.600 3.118 2.069 4.030 . 0 0 "[ . 1 . 2]" 1
449 1 27 TYR QE 1 70 TYR HA 0.000 . 7.700 4.267 2.755 4.878 . 0 0 "[ . 1 . 2]" 1
450 1 27 TYR QE 1 71 GLU HA 0.000 . 7.700 5.729 4.496 6.185 . 0 0 "[ . 1 . 2]" 1
451 1 27 TYR QE 1 71 GLU QG 0.000 . 8.600 3.513 1.983 4.328 . 0 0 "[ . 1 . 2]" 1
452 1 28 VAL H 1 28 VAL HB 0.000 . 2.800 2.550 2.496 2.591 . 0 0 "[ . 1 . 2]" 1
453 1 28 VAL H 1 69 GLY H 0.000 . 5.500 5.521 5.450 5.548 0.048 7 0 "[ . 1 . 2]" 1
454 1 28 VAL H 1 70 TYR H 0.000 . 5.500 4.083 3.877 4.160 . 0 0 "[ . 1 . 2]" 1
455 1 28 VAL H 1 71 GLU HA 0.000 . 3.500 3.446 3.104 3.546 0.046 9 0 "[ . 1 . 2]" 1
456 1 28 VAL H 1 71 GLU QG 0.000 . 6.400 4.138 3.378 4.767 . 0 0 "[ . 1 . 2]" 1
457 1 28 VAL H 1 72 CYS H 0.000 . 5.500 5.216 4.913 5.462 . 0 0 "[ . 1 . 2]" 1
458 1 28 VAL HA 1 29 THR H 0.000 . 2.800 2.185 2.139 2.214 . 0 0 "[ . 1 . 2]" 1
459 1 28 VAL HA 1 29 THR HA 0.000 . 5.500 4.418 4.395 4.433 . 0 0 "[ . 1 . 2]" 1
460 1 28 VAL HA 1 30 ASP H 0.000 . 5.500 3.761 3.675 3.808 . 0 0 "[ . 1 . 2]" 1
461 1 28 VAL HA 1 33 ILE MD 0.000 . 5.800 4.756 3.810 5.552 . 0 0 "[ . 1 . 2]" 1
462 1 28 VAL HB 1 70 TYR H 0.000 . 5.500 3.364 3.227 3.916 . 0 0 "[ . 1 . 2]" 1
463 1 28 VAL HB 1 70 TYR HA 0.000 . 5.500 5.543 5.510 5.617 0.117 15 0 "[ . 1 . 2]" 1
464 1 29 THR H 1 29 THR MG 0.000 . 3.800 3.440 3.343 3.497 . 0 0 "[ . 1 . 2]" 1
465 1 29 THR H 1 30 ASP H 0.000 . 3.500 2.021 1.973 2.105 . 0 0 "[ . 1 . 2]" 1
466 1 29 THR HA 1 29 THR HB 0.000 . 2.800 2.640 2.614 2.665 . 0 0 "[ . 1 . 2]" 1
467 1 29 THR HA 1 29 THR MG 0.000 . 3.100 2.135 2.107 2.161 . 0 0 "[ . 1 . 2]" 1
468 1 29 THR HA 1 30 ASP H 0.000 . 5.500 3.129 3.094 3.172 . 0 0 "[ . 1 . 2]" 1
469 1 29 THR HA 1 30 ASP HB3 0.000 . 5.500 5.749 5.718 5.804 0.304 7 0 "[ . 1 . 2]" 1
470 1 29 THR HB 1 30 ASP H 0.000 . 5.500 4.201 4.138 4.232 . 0 0 "[ . 1 . 2]" 1
471 1 29 THR HB 1 30 ASP HA 0.000 . 5.500 4.689 4.639 4.714 . 0 0 "[ . 1 . 2]" 1
472 1 29 THR HB 1 30 ASP HB3 0.000 . 5.500 5.602 5.579 5.633 0.133 10 0 "[ . 1 . 2]" 1
473 1 29 THR MG 1 30 ASP H 0.000 . 5.800 4.463 4.448 4.474 . 0 0 "[ . 1 . 2]" 1
474 1 30 ASP H 1 30 ASP HB2 0.000 . 3.500 3.030 2.984 3.055 . 0 0 "[ . 1 . 2]" 1
475 1 30 ASP H 1 30 ASP HB3 0.000 . 3.500 3.048 2.946 3.098 . 0 0 "[ . 1 . 2]" 1
476 1 30 ASP H 1 69 GLY QA 0.000 . 6.400 5.247 4.998 5.581 . 0 0 "[ . 1 . 2]" 1
477 1 30 ASP HA 1 30 ASP HB2 0.000 . 2.800 2.615 2.586 2.635 . 0 0 "[ . 1 . 2]" 1
478 1 30 ASP HA 1 30 ASP HB3 0.000 . 2.800 2.947 2.938 2.955 0.155 5 0 "[ . 1 . 2]" 1
479 1 30 ASP HA 1 31 GLY H 0.000 . 2.800 3.058 3.012 3.120 0.320 13 0 "[ . 1 . 2]" 1
480 1 30 ASP HB2 1 31 GLY H 0.000 . 5.500 3.476 3.451 3.497 . 0 0 "[ . 1 . 2]" 1
481 1 30 ASP HB3 1 31 GLY H 0.000 . 5.500 2.127 2.076 2.174 . 0 0 "[ . 1 . 2]" 1
482 1 31 GLY H 1 32 LYS H 0.000 . 5.500 3.854 3.776 3.952 . 0 0 "[ . 1 . 2]" 1
483 1 31 GLY QA 1 32 LYS H 0.000 . 4.400 2.158 2.139 2.173 . 0 0 "[ . 1 . 2]" 1
484 1 32 LYS H 1 33 ILE H 0.000 . 5.500 4.282 4.172 4.370 . 0 0 "[ . 1 . 2]" 1
485 1 32 LYS H 1 33 ILE MD 0.000 . 5.800 5.343 4.608 5.840 0.040 8 0 "[ . 1 . 2]" 1
486 1 32 LYS H 1 67 ALA HA 0.000 . 5.500 5.075 4.923 5.240 . 0 0 "[ . 1 . 2]" 1
487 1 32 LYS HA 1 33 ILE H 0.000 . 2.800 2.217 2.178 2.277 . 0 0 "[ . 1 . 2]" 1
488 1 32 LYS HA 1 33 ILE HA 0.000 . 5.500 4.338 4.329 4.355 . 0 0 "[ . 1 . 2]" 1
489 1 32 LYS HA 1 33 ILE HB 0.000 . 5.500 4.537 4.368 4.710 . 0 0 "[ . 1 . 2]" 1
490 1 32 LYS HA 1 33 ILE MD 0.000 . 5.800 5.289 4.555 5.760 . 0 0 "[ . 1 . 2]" 1
491 1 32 LYS HA 1 33 ILE QG 0.000 . 6.400 4.783 3.526 5.968 . 0 0 "[ . 1 . 2]" 1
492 1 32 LYS HA 1 65 GLU QB 0.000 . 3.700 3.872 3.805 3.976 0.276 9 0 "[ . 1 . 2]" 1
493 1 32 LYS HA 1 67 ALA HA 0.000 . 2.800 2.654 2.526 2.849 0.049 6 0 "[ . 1 . 2]" 1
494 1 32 LYS HA 1 67 ALA MB 0.000 . 3.100 2.966 2.586 3.117 0.017 13 0 "[ . 1 . 2]" 1
495 1 32 LYS HA 1 68 GLN H 0.000 . 5.500 4.800 4.679 5.014 . 0 0 "[ . 1 . 2]" 1
496 1 32 LYS QB 1 33 ILE H 0.000 . 4.400 2.965 2.715 3.181 . 0 0 "[ . 1 . 2]" 1
497 1 32 LYS QB 1 33 ILE HA 0.000 . 5.000 4.138 4.069 4.183 . 0 0 "[ . 1 . 2]" 1
498 1 32 LYS QB 1 34 THR MG 0.000 . 4.000 2.031 1.822 2.414 . 0 0 "[ . 1 . 2]" 1
499 1 32 LYS QB 1 66 VAL H 0.000 . 6.400 2.396 1.952 2.727 . 0 0 "[ . 1 . 2]" 1
500 1 32 LYS QB 1 68 GLN H 0.000 . 6.400 5.519 5.057 5.784 . 0 0 "[ . 1 . 2]" 1
501 1 33 ILE H 1 33 ILE HB 0.000 . 2.800 2.577 2.278 2.825 0.025 17 0 "[ . 1 . 2]" 1
502 1 33 ILE H 1 66 VAL H 0.000 . 5.500 2.468 2.158 2.852 . 0 0 "[ . 1 . 2]" 1
503 1 33 ILE H 1 66 VAL HA 0.000 . 5.500 4.558 4.169 4.947 . 0 0 "[ . 1 . 2]" 1
504 1 33 ILE H 1 66 VAL HB 0.000 . 5.500 3.270 2.616 3.829 . 0 0 "[ . 1 . 2]" 1
505 1 33 ILE H 1 66 VAL MG1 0.000 . 5.800 4.658 4.166 5.039 . 0 0 "[ . 1 . 2]" 1
506 1 33 ILE H 1 66 VAL MG2 0.000 . 3.100 3.049 2.024 3.190 0.090 17 0 "[ . 1 . 2]" 1
507 1 33 ILE H 1 67 ALA HA 0.000 . 5.500 4.059 3.826 4.320 . 0 0 "[ . 1 . 2]" 1
508 1 33 ILE HA 1 33 ILE HB 0.000 . 2.800 2.776 2.467 3.005 0.205 2 0 "[ . 1 . 2]" 1
509 1 33 ILE HA 1 33 ILE MD 0.000 . 3.100 2.416 2.014 3.041 . 0 0 "[ . 1 . 2]" 1
510 1 33 ILE HA 1 33 ILE MG 0.000 . 3.100 2.822 2.330 3.198 0.098 3 0 "[ . 1 . 2]" 1
511 1 33 ILE HA 1 34 THR H 0.000 . 2.800 2.216 2.100 2.302 . 0 0 "[ . 1 . 2]" 1
512 1 33 ILE HA 1 34 THR HA 0.000 . 5.500 4.392 4.338 4.432 . 0 0 "[ . 1 . 2]" 1
513 1 33 ILE HA 1 34 THR MG 0.000 . 3.800 3.528 3.242 3.671 . 0 0 "[ . 1 . 2]" 1
514 1 33 ILE HA 1 65 GLU QB 0.000 . 5.000 4.996 4.800 5.102 0.102 20 0 "[ . 1 . 2]" 1
515 1 33 ILE HA 1 90 ALA MB 0.000 . 3.100 3.139 2.981 3.230 0.130 2 0 "[ . 1 . 2]" 1
516 1 33 ILE HB 1 34 THR H 0.000 . 5.500 4.501 4.412 4.615 . 0 0 "[ . 1 . 2]" 1
517 1 33 ILE HB 1 66 VAL H 0.000 . 5.500 4.407 3.680 5.354 . 0 0 "[ . 1 . 2]" 1
518 1 33 ILE MD 1 33 ILE MG 0.000 . 3.400 2.422 1.847 3.240 . 0 0 "[ . 1 . 2]" 1
519 1 33 ILE MD 1 34 THR H 0.000 . 5.800 4.062 3.604 4.383 . 0 0 "[ . 1 . 2]" 1
520 1 33 ILE MD 1 88 ILE HB 0.000 . 3.800 3.689 3.395 3.834 0.034 19 0 "[ . 1 . 2]" 1
521 1 33 ILE MD 1 89 GLU HA 0.000 . 5.800 4.111 3.769 4.503 . 0 0 "[ . 1 . 2]" 1
522 1 33 ILE MD 1 90 ALA H 0.000 . 5.800 3.147 2.849 3.334 . 0 0 "[ . 1 . 2]" 1
523 1 33 ILE MD 1 90 ALA HA 0.000 . 5.800 4.062 3.653 4.559 . 0 0 "[ . 1 . 2]" 1
524 1 33 ILE MD 1 90 ALA MB 0.000 . 3.400 1.963 1.792 2.270 . 0 0 "[ . 1 . 2]" 1
525 1 33 ILE QG 1 34 THR H 0.000 . 6.400 4.003 2.781 4.730 . 0 0 "[ . 1 . 2]" 1
526 1 33 ILE MG 1 34 THR H 0.000 . 3.800 3.772 3.351 4.098 0.298 17 0 "[ . 1 . 2]" 1
527 1 33 ILE MG 1 90 ALA MB 0.000 . 5.000 4.114 3.360 4.796 . 0 0 "[ . 1 . 2]" 1
528 1 34 THR H 1 37 SER H 0.000 . 5.500 5.268 4.782 5.524 0.024 17 0 "[ . 1 . 2]" 1
529 1 34 THR H 1 37 SER QB 0.000 . 6.400 2.930 2.421 3.443 . 0 0 "[ . 1 . 2]" 1
530 1 34 THR H 1 90 ALA MB 0.000 . 5.800 3.976 3.796 4.260 . 0 0 "[ . 1 . 2]" 1
531 1 34 THR H 1 96 VAL MG1 0.000 . 5.000 3.830 3.464 3.931 . 0 0 "[ . 1 . 2]" 1
532 1 34 THR HA 1 34 THR HB 0.000 . 2.800 2.250 2.222 2.288 . 0 0 "[ . 1 . 2]" 1
533 1 34 THR HA 1 34 THR MG 0.000 . 3.100 2.831 2.674 3.006 . 0 0 "[ . 1 . 2]" 1
534 1 34 THR HA 1 35 ARG H 0.000 . 3.500 2.476 2.372 2.602 . 0 0 "[ . 1 . 2]" 1
535 1 34 THR HA 1 35 ARG HA 0.000 . 5.500 4.289 4.264 4.316 . 0 0 "[ . 1 . 2]" 1
536 1 34 THR HA 1 36 ASP H 0.000 . 5.500 4.528 4.364 4.751 . 0 0 "[ . 1 . 2]" 1
537 1 34 THR HA 1 53 ILE MG 0.000 . 5.800 5.007 4.136 5.686 . 0 0 "[ . 1 . 2]" 1
538 1 34 THR HA 1 64 ARG HA 0.000 . 5.500 4.495 4.388 4.597 . 0 0 "[ . 1 . 2]" 1
539 1 34 THR HA 1 65 GLU HA 0.000 . 2.800 2.071 1.865 2.448 . 0 0 "[ . 1 . 2]" 1
540 1 34 THR HA 1 65 GLU QG 0.000 . 3.700 3.403 3.247 3.709 0.009 13 0 "[ . 1 . 2]" 1
541 1 34 THR HA 1 66 VAL H 0.000 . 5.500 4.129 3.832 4.551 . 0 0 "[ . 1 . 2]" 1
542 1 34 THR HB 1 35 ARG H 0.000 . 5.500 2.576 2.197 2.813 . 0 0 "[ . 1 . 2]" 1
543 1 34 THR HB 1 35 ARG QB 0.000 . 4.400 4.275 3.918 4.507 0.107 13 0 "[ . 1 . 2]" 1
544 1 34 THR HB 1 36 ASP H 0.000 . 5.500 3.712 3.331 3.968 . 0 0 "[ . 1 . 2]" 1
545 1 34 THR HB 1 64 ARG HA 0.000 . 5.500 4.373 4.103 4.560 . 0 0 "[ . 1 . 2]" 1
546 1 34 THR HB 1 65 GLU HA 0.000 . 2.800 2.906 2.848 3.020 0.220 13 0 "[ . 1 . 2]" 1
547 1 34 THR HB 1 65 GLU QB 0.000 . 6.400 3.282 3.058 3.813 . 0 0 "[ . 1 . 2]" 1
548 1 34 THR HB 1 65 GLU QG 0.000 . 6.400 1.996 1.905 2.341 . 0 0 "[ . 1 . 2]" 1
549 1 34 THR MG 1 35 ARG H 0.000 . 5.800 3.925 3.736 4.030 . 0 0 "[ . 1 . 2]" 1
550 1 34 THR MG 1 36 ASP H 0.000 . 5.800 4.255 3.999 4.502 . 0 0 "[ . 1 . 2]" 1
551 1 34 THR MG 1 37 SER QB 0.000 . 6.700 3.376 2.904 3.880 . 0 0 "[ . 1 . 2]" 1
552 1 34 THR MG 1 65 GLU HA 0.000 . 3.100 2.900 2.265 3.163 0.063 14 0 "[ . 1 . 2]" 1
553 1 34 THR MG 1 65 GLU QB 0.000 . 4.000 2.073 1.871 2.555 . 0 0 "[ . 1 . 2]" 1
554 1 34 THR MG 1 66 VAL H 0.000 . 5.800 3.453 3.202 3.891 . 0 0 "[ . 1 . 2]" 1
555 1 35 ARG H 1 35 ARG HG2 0.000 . 5.500 4.222 3.596 4.603 . 0 0 "[ . 1 . 2]" 1
556 1 35 ARG H 1 35 ARG HG3 0.000 . 5.500 3.301 2.453 4.226 . 0 0 "[ . 1 . 2]" 1
557 1 35 ARG H 1 36 ASP H 0.000 . 3.500 2.573 2.389 2.802 . 0 0 "[ . 1 . 2]" 1
558 1 35 ARG H 1 64 ARG HA 0.000 . 5.500 3.646 3.452 3.915 . 0 0 "[ . 1 . 2]" 1
559 1 35 ARG H 1 65 GLU HA 0.000 . 5.500 4.090 3.764 4.463 . 0 0 "[ . 1 . 2]" 1
560 1 35 ARG HA 1 35 ARG QD 0.000 . 3.700 3.782 3.663 3.935 0.235 19 0 "[ . 1 . 2]" 1
561 1 35 ARG HA 1 35 ARG HG2 0.000 . 3.500 2.903 2.286 3.544 0.044 13 0 "[ . 1 . 2]" 1
562 1 35 ARG HA 1 35 ARG HG3 0.000 . 2.800 2.363 2.105 2.914 0.114 12 0 "[ . 1 . 2]" 1
563 1 35 ARG HA 1 36 ASP H 0.000 . 5.500 3.533 3.504 3.564 . 0 0 "[ . 1 . 2]" 1
564 1 35 ARG HA 1 36 ASP HA 0.000 . 5.500 4.639 4.616 4.658 . 0 0 "[ . 1 . 2]" 1
565 1 35 ARG HA 1 53 ILE MG 0.000 . 3.100 2.436 1.854 3.116 0.016 12 0 "[ . 1 . 2]" 1
566 1 35 ARG HA 1 55 SER HA 0.000 . 5.500 4.419 3.731 4.909 . 0 0 "[ . 1 . 2]" 1
567 1 35 ARG HA 1 56 LEU HA 0.000 . 5.500 5.341 4.960 5.601 0.101 20 0 "[ . 1 . 2]" 1
568 1 35 ARG HA 1 56 LEU HG 0.000 . 5.500 5.030 2.250 5.564 0.064 3 0 "[ . 1 . 2]" 1
569 1 35 ARG QB 1 36 ASP H 0.000 . 6.400 2.558 2.240 2.689 . 0 0 "[ . 1 . 2]" 1
570 1 35 ARG QD 1 53 ILE MG 0.000 . 6.000 4.533 4.204 5.034 . 0 0 "[ . 1 . 2]" 1
571 1 35 ARG QD 1 55 SER HA 0.000 . 4.400 3.725 2.771 4.446 0.046 13 0 "[ . 1 . 2]" 1
572 1 35 ARG QD 1 56 LEU HA 0.000 . 6.400 4.563 4.014 6.002 . 0 0 "[ . 1 . 2]" 1
573 1 35 ARG QD 1 56 LEU HG 0.000 . 6.400 4.282 3.567 5.249 . 0 0 "[ . 1 . 2]" 1
574 1 35 ARG QD 1 64 ARG HA 0.000 . 3.700 3.065 1.953 3.809 0.109 12 0 "[ . 1 . 2]" 1
575 1 35 ARG HE 1 64 ARG QD 0.000 . 3.700 3.752 3.728 3.788 0.088 13 0 "[ . 1 . 2]" 1
576 1 35 ARG HG2 1 36 ASP H 0.000 . 5.500 4.917 3.930 5.213 . 0 0 "[ . 1 . 2]" 1
577 1 35 ARG HG2 1 53 ILE MG 0.000 . 3.800 3.758 3.174 3.878 0.078 13 0 "[ . 1 . 2]" 1
578 1 35 ARG HG3 1 36 ASP H 0.000 . 5.500 4.731 4.396 4.926 . 0 0 "[ . 1 . 2]" 1
579 1 35 ARG HG3 1 55 SER HA 0.000 . 5.500 3.591 2.542 5.385 . 0 0 "[ . 1 . 2]" 1
580 1 36 ASP H 1 36 ASP HA 0.000 . 2.800 2.896 2.887 2.909 0.109 16 0 "[ . 1 . 2]" 1
581 1 36 ASP H 1 37 SER H 0.000 . 3.500 3.479 3.366 3.561 0.061 20 0 "[ . 1 . 2]" 1
582 1 36 ASP H 1 64 ARG HA 0.000 . 5.500 5.584 5.424 5.683 0.183 13 0 "[ . 1 . 2]" 1
583 1 36 ASP HA 1 37 SER H 0.000 . 5.500 2.559 2.502 2.649 . 0 0 "[ . 1 . 2]" 1
584 1 36 ASP QB 1 64 ARG HG2 0.000 . 6.400 4.871 4.502 5.394 . 0 0 "[ . 1 . 2]" 1
585 1 36 ASP QB 1 64 ARG HG3 0.000 . 6.400 5.815 5.036 6.422 0.022 4 0 "[ . 1 . 2]" 1
586 1 37 SER H 1 38 LYS H 0.000 . 5.500 4.387 4.363 4.413 . 0 0 "[ . 1 . 2]" 1
587 1 37 SER H 1 52 GLU HB2 0.000 . 5.500 4.470 4.038 5.008 . 0 0 "[ . 1 . 2]" 1
588 1 37 SER H 1 53 ILE HB 0.000 . 5.500 3.603 3.211 4.061 . 0 0 "[ . 1 . 2]" 1
589 1 37 SER H 1 53 ILE MG 0.000 . 5.800 4.221 2.988 5.075 . 0 0 "[ . 1 . 2]" 1
590 1 37 SER HA 1 38 LYS H 0.000 . 2.800 2.358 2.318 2.396 . 0 0 "[ . 1 . 2]" 1
591 1 37 SER HA 1 91 TYR H 0.000 . 5.500 5.580 5.516 5.626 0.126 13 0 "[ . 1 . 2]" 1
592 1 37 SER QB 1 38 LYS HA 0.000 . 6.400 4.295 4.234 4.331 . 0 0 "[ . 1 . 2]" 1
593 1 37 SER QB 1 90 ALA HA 0.000 . 6.400 4.243 4.082 4.467 . 0 0 "[ . 1 . 2]" 1
594 1 37 SER QB 1 90 ALA MB 0.000 . 4.000 2.326 2.155 2.565 . 0 0 "[ . 1 . 2]" 1
595 1 37 SER QB 1 91 TYR H 0.000 . 4.400 4.346 4.223 4.448 0.048 20 0 "[ . 1 . 2]" 1
596 1 37 SER QB 1 96 VAL MG2 0.000 . 6.000 4.634 3.296 6.025 0.025 18 0 "[ . 1 . 2]" 1
597 1 38 LYS H 1 39 VAL MG1 0.000 . 5.800 4.772 4.564 4.936 . 0 0 "[ . 1 . 2]" 1
598 1 38 LYS H 1 91 TYR H 0.000 . 5.500 3.420 3.330 3.528 . 0 0 "[ . 1 . 2]" 1
599 1 38 LYS HA 1 38 LYS QD 0.000 . 3.700 3.202 2.219 3.719 0.019 3 0 "[ . 1 . 2]" 1
600 1 38 LYS HA 1 38 LYS QE 0.000 . 5.500 3.708 2.457 4.515 . 0 0 "[ . 1 . 2]" 1
601 1 38 LYS HA 1 39 VAL H 0.000 . 2.800 2.655 2.571 2.749 . 0 0 "[ . 1 . 2]" 1
602 1 38 LYS HA 1 39 VAL HA 0.000 . 5.500 4.533 4.496 4.568 . 0 0 "[ . 1 . 2]" 1
603 1 38 LYS HA 1 39 VAL MG1 0.000 . 5.800 3.858 3.695 3.991 . 0 0 "[ . 1 . 2]" 1
604 1 38 LYS HA 1 39 VAL MG2 0.000 . 3.800 3.390 3.257 3.590 . 0 0 "[ . 1 . 2]" 1
605 1 38 LYS HA 1 51 GLY H 0.000 . 5.500 5.477 5.263 5.585 0.085 6 0 "[ . 1 . 2]" 1
606 1 38 LYS HA 1 52 GLU HA 0.000 . 2.800 1.889 1.833 1.934 . 0 0 "[ . 1 . 2]" 1
607 1 38 LYS HA 1 52 GLU HB3 0.000 . 3.500 2.788 2.180 3.554 0.054 14 0 "[ . 1 . 2]" 1
608 1 38 LYS HA 1 52 GLU QG 0.000 . 6.400 4.137 3.552 4.525 . 0 0 "[ . 1 . 2]" 1
609 1 38 LYS HA 1 53 ILE H 0.000 . 5.500 3.209 2.913 3.375 . 0 0 "[ . 1 . 2]" 1
610 1 38 LYS HA 1 53 ILE HA 0.000 . 5.500 5.529 5.089 5.676 0.176 15 0 "[ . 1 . 2]" 1
611 1 38 LYS HA 1 91 TYR QD 0.000 . 7.700 5.415 5.111 5.999 . 0 0 "[ . 1 . 2]" 1
612 1 38 LYS HA 1 91 TYR QE 0.000 . 7.700 4.987 4.709 5.620 . 0 0 "[ . 1 . 2]" 1
613 1 38 LYS QB 1 39 VAL H 0.000 . 6.400 2.194 1.933 2.583 . 0 0 "[ . 1 . 2]" 1
614 1 38 LYS QB 1 39 VAL HA 0.000 . 6.400 3.854 3.806 3.901 . 0 0 "[ . 1 . 2]" 1
615 1 38 LYS QB 1 39 VAL MG2 0.000 . 6.700 3.938 3.573 4.244 . 0 0 "[ . 1 . 2]" 1
616 1 38 LYS QB 1 52 GLU HA 0.000 . 6.400 3.591 2.949 3.886 . 0 0 "[ . 1 . 2]" 1
617 1 38 LYS QB 1 91 TYR H 0.000 . 6.400 2.659 2.266 2.944 . 0 0 "[ . 1 . 2]" 1
618 1 38 LYS QB 1 91 TYR QD 0.000 . 8.600 2.837 2.552 3.335 . 0 0 "[ . 1 . 2]" 1
619 1 38 LYS QB 1 91 TYR QE 0.000 . 6.600 2.546 2.159 3.155 . 0 0 "[ . 1 . 2]" 1
620 1 38 LYS QB 1 92 VAL HA 0.000 . 6.400 4.405 3.692 4.988 . 0 0 "[ . 1 . 2]" 1
621 1 38 LYS QD 1 39 VAL H 0.000 . 6.400 4.359 3.703 4.711 . 0 0 "[ . 1 . 2]" 1
622 1 38 LYS QD 1 52 GLU HA 0.000 . 6.400 4.459 3.189 5.064 . 0 0 "[ . 1 . 2]" 1
623 1 38 LYS QD 1 52 GLU HB2 0.000 . 6.400 4.169 2.704 5.159 . 0 0 "[ . 1 . 2]" 1
624 1 38 LYS QD 1 52 GLU HB3 0.000 . 4.400 3.645 1.991 4.410 0.010 3 0 "[ . 1 . 2]" 1
625 1 38 LYS QD 1 91 TYR QD 0.000 . 8.600 4.398 3.649 5.217 . 0 0 "[ . 1 . 2]" 1
626 1 38 LYS QD 1 91 TYR QE 0.000 . 6.600 3.659 2.662 4.741 . 0 0 "[ . 1 . 2]" 1
627 1 38 LYS QE 1 39 VAL H 0.000 . 6.400 5.052 4.190 5.667 . 0 0 "[ . 1 . 2]" 1
628 1 38 LYS QE 1 52 GLU HB2 0.000 . 4.400 3.832 2.454 4.408 0.008 2 0 "[ . 1 . 2]" 1
629 1 38 LYS QE 1 52 GLU HB3 0.000 . 6.400 3.049 1.994 4.884 . 0 0 "[ . 1 . 2]" 1
630 1 38 LYS QG 1 52 GLU HA 0.000 . 6.400 3.121 2.653 3.841 . 0 0 "[ . 1 . 2]" 1
631 1 38 LYS QG 1 52 GLU HB3 0.000 . 6.400 2.574 1.969 4.056 . 0 0 "[ . 1 . 2]" 1
632 1 39 VAL H 1 39 VAL MG1 0.000 . 3.800 3.446 3.347 3.540 . 0 0 "[ . 1 . 2]" 1
633 1 39 VAL H 1 39 VAL MG2 0.000 . 3.100 2.176 2.022 2.400 . 0 0 "[ . 1 . 2]" 1
634 1 39 VAL H 1 40 ARG H 0.000 . 5.500 4.356 4.294 4.406 . 0 0 "[ . 1 . 2]" 1
635 1 39 VAL H 1 50 GLU HA 0.000 . 5.500 4.850 4.542 5.093 . 0 0 "[ . 1 . 2]" 1
636 1 39 VAL H 1 50 GLU QG 0.000 . 6.400 6.447 6.409 6.513 0.113 15 0 "[ . 1 . 2]" 1
637 1 39 VAL H 1 51 GLY H 0.000 . 3.500 3.294 3.087 3.493 . 0 0 "[ . 1 . 2]" 1
638 1 39 VAL H 1 52 GLU HA 0.000 . 2.800 2.497 2.216 2.724 . 0 0 "[ . 1 . 2]" 1
639 1 39 VAL H 1 52 GLU HB2 0.000 . 5.500 4.573 3.964 4.935 . 0 0 "[ . 1 . 2]" 1
640 1 39 VAL H 1 91 TYR QE 0.000 . 5.700 3.390 2.785 4.433 . 0 0 "[ . 1 . 2]" 1
641 1 39 VAL HA 1 39 VAL HB 0.000 . 2.800 2.572 2.541 2.609 . 0 0 "[ . 1 . 2]" 1
642 1 39 VAL HA 1 39 VAL MG1 0.000 . 3.100 2.126 2.037 2.252 . 0 0 "[ . 1 . 2]" 1
643 1 39 VAL HA 1 40 ARG H 0.000 . 2.800 2.251 2.165 2.353 . 0 0 "[ . 1 . 2]" 1
644 1 39 VAL HA 1 40 ARG HA 0.000 . 5.500 4.417 4.392 4.446 . 0 0 "[ . 1 . 2]" 1
645 1 39 VAL HA 1 89 GLU H 0.000 . 5.500 3.834 3.767 3.951 . 0 0 "[ . 1 . 2]" 1
646 1 39 VAL HA 1 90 ALA HA 0.000 . 2.800 2.007 1.908 2.123 . 0 0 "[ . 1 . 2]" 1
647 1 39 VAL HA 1 90 ALA MB 0.000 . 3.800 3.130 2.997 3.282 . 0 0 "[ . 1 . 2]" 1
648 1 39 VAL HA 1 91 TYR H 0.000 . 3.500 3.621 3.544 3.669 0.169 14 0 "[ . 1 . 2]" 1
649 1 39 VAL HA 1 91 TYR QD 0.000 . 5.700 3.968 3.614 4.856 . 0 0 "[ . 1 . 2]" 1
650 1 39 VAL HB 1 51 GLY H 0.000 . 5.500 4.937 4.747 5.096 . 0 0 "[ . 1 . 2]" 1
651 1 39 VAL HB 1 89 GLU H 0.000 . 5.500 3.812 3.649 3.957 . 0 0 "[ . 1 . 2]" 1
652 1 39 VAL MG1 1 40 ARG H 0.000 . 3.100 3.318 3.217 3.412 0.312 6 0 "[ . 1 . 2]" 1
653 1 39 VAL MG1 1 53 ILE H 0.000 . 5.800 3.557 3.352 3.977 . 0 0 "[ . 1 . 2]" 1
654 1 39 VAL MG1 1 54 ASP H 0.000 . 5.800 5.066 4.699 5.803 0.003 12 0 "[ . 1 . 2]" 1
655 1 39 VAL MG1 1 90 ALA H 0.000 . 5.800 4.206 3.759 4.531 . 0 0 "[ . 1 . 2]" 1
656 1 39 VAL MG1 1 90 ALA HA 0.000 . 3.100 3.120 3.025 3.196 0.096 18 0 "[ . 1 . 2]" 1
657 1 39 VAL MG1 1 91 TYR H 0.000 . 5.800 4.679 4.571 4.773 . 0 0 "[ . 1 . 2]" 1
658 1 39 VAL MG2 1 40 ARG H 0.000 . 3.800 3.821 3.683 3.916 0.116 20 0 "[ . 1 . 2]" 1
659 1 39 VAL MG2 1 40 ARG HA 0.000 . 5.800 4.080 3.954 4.172 . 0 0 "[ . 1 . 2]" 1
660 1 39 VAL MG2 1 50 GLU HA 0.000 . 5.800 3.555 3.128 3.928 . 0 0 "[ . 1 . 2]" 1
661 1 39 VAL MG2 1 51 GLY H 0.000 . 3.100 3.087 2.534 3.191 0.091 17 0 "[ . 1 . 2]" 1
662 1 39 VAL MG2 1 52 GLU H 0.000 . 5.800 2.825 2.637 3.361 . 0 0 "[ . 1 . 2]" 1
663 1 39 VAL MG2 1 52 GLU HA 0.000 . 3.100 2.045 1.959 2.191 . 0 0 "[ . 1 . 2]" 1
664 1 39 VAL MG2 1 52 GLU HB3 0.000 . 5.800 4.052 3.940 4.179 . 0 0 "[ . 1 . 2]" 1
665 1 39 VAL MG2 1 53 ILE H 0.000 . 5.800 3.456 3.105 3.652 . 0 0 "[ . 1 . 2]" 1
666 1 39 VAL MG2 1 53 ILE HA 0.000 . 3.800 3.079 2.743 3.589 . 0 0 "[ . 1 . 2]" 1
667 1 39 VAL MG2 1 53 ILE HB 0.000 . 5.800 4.544 3.730 5.147 . 0 0 "[ . 1 . 2]" 1
668 1 39 VAL MG2 1 53 ILE QG 0.000 . 6.000 3.235 2.577 3.965 . 0 0 "[ . 1 . 2]" 1
669 1 39 VAL MG2 1 76 ILE HB 0.000 . 5.800 4.280 3.863 4.713 . 0 0 "[ . 1 . 2]" 1
670 1 39 VAL MG2 1 76 ILE MG 0.000 . 3.400 2.076 1.802 2.902 . 0 0 "[ . 1 . 2]" 1
671 1 39 VAL MG2 1 90 ALA HA 0.000 . 5.800 4.659 4.526 4.737 . 0 0 "[ . 1 . 2]" 1
672 1 40 ARG H 1 40 ARG QB 0.000 . 3.700 2.797 2.768 2.831 . 0 0 "[ . 1 . 2]" 1
673 1 40 ARG H 1 41 LEU H 0.000 . 5.500 3.740 3.565 3.792 . 0 0 "[ . 1 . 2]" 1
674 1 40 ARG H 1 88 ILE HA 0.000 . 5.500 3.926 3.680 4.155 . 0 0 "[ . 1 . 2]" 1
675 1 40 ARG H 1 89 GLU QB 0.000 . 6.400 3.493 3.279 3.707 . 0 0 "[ . 1 . 2]" 1
676 1 40 ARG H 1 90 ALA HA 0.000 . 5.500 3.535 3.356 3.675 . 0 0 "[ . 1 . 2]" 1
677 1 40 ARG H 1 90 ALA MB 0.000 . 5.800 4.422 4.261 4.525 . 0 0 "[ . 1 . 2]" 1
678 1 40 ARG H 1 91 TYR H 0.000 . 5.500 5.051 4.818 5.275 . 0 0 "[ . 1 . 2]" 1
679 1 40 ARG HA 1 40 ARG QG 0.000 . 3.500 2.462 2.379 2.527 . 0 0 "[ . 1 . 2]" 1
680 1 40 ARG HA 1 41 LEU H 0.000 . 2.800 2.169 2.126 2.210 . 0 0 "[ . 1 . 2]" 1
681 1 40 ARG HA 1 49 TYR H 0.000 . 5.500 4.966 4.671 5.428 . 0 0 "[ . 1 . 2]" 1
682 1 40 ARG HA 1 50 GLU HA 0.000 . 2.800 2.589 2.372 2.831 0.031 13 0 "[ . 1 . 2]" 1
683 1 40 ARG HA 1 51 GLY H 0.000 . 5.500 3.916 3.656 4.250 . 0 0 "[ . 1 . 2]" 1
684 1 40 ARG HA 1 89 GLU H 0.000 . 3.500 3.936 3.895 3.975 0.475 9 0 "[ . 1 . 2]" 1
685 1 40 ARG QB 1 41 LEU H 0.000 . 6.400 3.970 3.946 4.003 . 0 0 "[ . 1 . 2]" 1
686 1 40 ARG QB 1 89 GLU QG 0.000 . 7.300 3.146 2.125 4.203 . 0 0 "[ . 1 . 2]" 1
687 1 40 ARG QB 1 91 TYR QE 0.000 . 5.900 2.844 1.972 3.570 . 0 0 "[ . 1 . 2]" 1
688 1 40 ARG QD 1 42 ILE QG 0.000 . 7.300 3.801 3.049 4.483 . 0 0 "[ . 1 . 2]" 1
689 1 40 ARG QD 1 47 VAL MG1 0.000 . 6.000 4.365 3.516 5.491 . 0 0 "[ . 1 . 2]" 1
690 1 40 ARG QD 1 47 VAL MG2 0.000 . 6.000 4.237 3.321 5.433 . 0 0 "[ . 1 . 2]" 1
691 1 40 ARG QG 1 50 GLU HA 0.000 . 5.500 3.891 3.393 4.403 . 0 0 "[ . 1 . 2]" 1
692 1 40 ARG HG2 1 41 LEU H 0.000 . 5.500 3.613 3.302 3.967 . 0 0 "[ . 1 . 2]" 1
693 1 40 ARG HG2 1 42 ILE HA 0.000 . 5.500 5.442 5.251 5.550 0.050 18 0 "[ . 1 . 2]" 1
694 1 40 ARG HG3 1 50 GLU HA 0.000 . 5.500 4.092 3.468 4.697 . 0 0 "[ . 1 . 2]" 1
695 1 40 ARG HG3 1 51 GLY H 0.000 . 5.500 5.171 4.700 5.553 0.053 18 0 "[ . 1 . 2]" 1
696 1 41 LEU H 1 41 LEU HB2 0.000 . 3.500 2.932 2.068 3.683 0.183 9 0 "[ . 1 . 2]" 1
697 1 41 LEU H 1 41 LEU HG 0.000 . 2.800 3.139 2.953 3.408 0.608 13 5 "[ * . 1- +*.* 2]" 1
698 1 41 LEU H 1 42 ILE H 0.000 . 5.500 4.498 4.462 4.522 . 0 0 "[ . 1 . 2]" 1
699 1 41 LEU H 1 48 VAL MG2 0.000 . 5.800 4.473 4.251 4.835 . 0 0 "[ . 1 . 2]" 1
700 1 41 LEU H 1 49 TYR H 0.000 . 5.500 3.350 2.868 3.663 . 0 0 "[ . 1 . 2]" 1
701 1 41 LEU H 1 49 TYR QD 0.000 . 7.700 4.798 3.780 5.747 . 0 0 "[ . 1 . 2]" 1
702 1 41 LEU H 1 50 GLU HA 0.000 . 3.500 3.411 2.885 3.589 0.089 9 0 "[ . 1 . 2]" 1
703 1 41 LEU H 1 51 GLY H 0.000 . 5.500 5.390 4.959 5.531 0.031 6 0 "[ . 1 . 2]" 1
704 1 41 LEU H 1 88 ILE MG 0.000 . 5.800 3.663 3.448 3.915 . 0 0 "[ . 1 . 2]" 1
705 1 41 LEU HA 1 41 LEU HG 0.000 . 2.800 2.745 1.982 3.424 0.624 19 10 "[* .-**** * . * +*]" 1
706 1 41 LEU HA 1 42 ILE H 0.000 . 2.800 2.311 2.049 2.481 . 0 0 "[ . 1 . 2]" 1
707 1 41 LEU HA 1 42 ILE HB 0.000 . 5.500 4.496 4.248 4.701 . 0 0 "[ . 1 . 2]" 1
708 1 41 LEU HA 1 42 ILE MG 0.000 . 5.800 5.382 5.357 5.449 . 0 0 "[ . 1 . 2]" 1
709 1 41 LEU HA 1 87 VAL H 0.000 . 5.500 4.884 4.494 5.020 . 0 0 "[ . 1 . 2]" 1
710 1 41 LEU HA 1 88 ILE HA 0.000 . 5.000 1.993 1.851 2.207 . 0 0 "[ . 1 . 2]" 1
711 1 41 LEU QB 1 41 LEU HG 0.000 . 2.800 2.420 2.390 2.459 . 0 0 "[ . 1 . 2]" 1
712 1 41 LEU QB 1 79 PHE QE 0.000 . 7.700 4.059 3.730 4.258 . 0 0 "[ . 1 . 2]" 1
713 1 41 LEU HB2 1 48 VAL MG2 0.000 . 5.000 3.273 3.189 3.390 . 0 0 "[ . 1 . 2]" 1
714 1 41 LEU HB2 1 49 TYR H 0.000 . 5.500 3.595 1.929 5.319 . 0 0 "[ . 1 . 2]" 1
715 1 41 LEU HG 1 42 ILE H 0.000 . 3.500 3.403 3.084 3.801 0.301 5 0 "[ . 1 . 2]" 1
716 1 41 LEU HG 1 49 TYR H 0.000 . 5.500 3.642 2.613 4.825 . 0 0 "[ . 1 . 2]" 1
717 1 41 LEU HG 1 49 TYR HA 0.000 . 5.500 5.676 5.111 6.267 0.767 4 10 "[ -*+* 1* **** * 2]" 1
718 1 41 LEU HG 1 49 TYR QB 0.000 . 3.700 3.683 3.457 3.834 0.134 10 0 "[ . 1 . 2]" 1
719 1 41 LEU HG 1 79 PHE QE 0.000 . 5.700 4.612 4.331 4.754 . 0 0 "[ . 1 . 2]" 1
720 1 41 LEU HG 1 79 PHE HZ 0.000 . 5.500 4.089 3.639 4.645 . 0 0 "[ . 1 . 2]" 1
721 1 41 LEU HG 1 87 VAL H 0.000 . 5.500 5.522 5.347 5.585 0.085 11 0 "[ . 1 . 2]" 1
722 1 41 LEU HG 1 88 ILE HA 0.000 . 4.000 3.390 2.235 4.384 0.384 6 0 "[ . 1 . 2]" 1
723 1 42 ILE H 1 42 ILE HB 0.000 . 3.500 3.016 2.885 3.134 . 0 0 "[ . 1 . 2]" 1
724 1 42 ILE H 1 42 ILE QG 0.000 . 4.400 3.283 3.020 3.684 . 0 0 "[ . 1 . 2]" 1
725 1 42 ILE H 1 43 ARG H 0.000 . 5.500 4.207 4.074 4.308 . 0 0 "[ . 1 . 2]" 1
726 1 42 ILE H 1 47 VAL HA 0.000 . 5.500 4.881 4.480 5.132 . 0 0 "[ . 1 . 2]" 1
727 1 42 ILE H 1 48 VAL MG2 0.000 . 5.800 2.428 2.014 2.652 . 0 0 "[ . 1 . 2]" 1
728 1 42 ILE H 1 86 ASP HA 0.000 . 5.500 5.547 5.277 5.672 0.172 16 0 "[ . 1 . 2]" 1
729 1 42 ILE H 1 87 VAL H 0.000 . 5.500 3.228 3.013 3.388 . 0 0 "[ . 1 . 2]" 1
730 1 42 ILE H 1 87 VAL HB 0.000 . 5.500 3.739 3.542 4.017 . 0 0 "[ . 1 . 2]" 1
731 1 42 ILE H 1 87 VAL MG2 0.000 . 5.800 4.817 4.678 5.016 . 0 0 "[ . 1 . 2]" 1
732 1 42 ILE H 1 88 ILE HA 0.000 . 5.500 3.696 3.600 3.784 . 0 0 "[ . 1 . 2]" 1
733 1 42 ILE H 1 88 ILE QG 0.000 . 6.400 4.322 4.076 4.640 . 0 0 "[ . 1 . 2]" 1
734 1 42 ILE H 1 89 GLU H 0.000 . 5.500 5.440 5.213 5.519 0.019 19 0 "[ . 1 . 2]" 1
735 1 42 ILE HA 1 42 ILE MG 0.000 . 3.100 2.427 2.323 2.575 . 0 0 "[ . 1 . 2]" 1
736 1 42 ILE HA 1 43 ARG H 0.000 . 2.800 2.154 2.086 2.241 . 0 0 "[ . 1 . 2]" 1
737 1 42 ILE HA 1 47 VAL HA 0.000 . 2.800 2.294 2.048 2.443 . 0 0 "[ . 1 . 2]" 1
738 1 42 ILE HA 1 48 VAL H 0.000 . 5.500 2.305 2.084 2.634 . 0 0 "[ . 1 . 2]" 1
739 1 42 ILE HA 1 48 VAL MG2 0.000 . 3.100 2.075 1.885 2.398 . 0 0 "[ . 1 . 2]" 1
740 1 42 ILE HB 1 48 VAL MG2 0.000 . 5.000 4.084 4.018 4.170 . 0 0 "[ . 1 . 2]" 1
741 1 42 ILE HB 1 87 VAL H 0.000 . 5.500 4.482 4.086 4.862 . 0 0 "[ . 1 . 2]" 1
742 1 42 ILE QG 1 87 VAL H 0.000 . 6.400 5.719 5.249 6.153 . 0 0 "[ . 1 . 2]" 1
743 1 42 ILE MG 1 43 ARG H 0.000 . 3.800 2.300 2.071 2.514 . 0 0 "[ . 1 . 2]" 1
744 1 42 ILE MG 1 43 ARG HA 0.000 . 5.800 3.861 3.758 3.978 . 0 0 "[ . 1 . 2]" 1
745 1 42 ILE MG 1 45 GLY H 0.000 . 3.100 3.247 3.158 3.322 0.222 16 0 "[ . 1 . 2]" 1
746 1 42 ILE MG 1 46 ILE H 0.000 . 5.800 3.926 3.341 4.389 . 0 0 "[ . 1 . 2]" 1
747 1 42 ILE MG 1 46 ILE HA 0.000 . 3.800 3.525 3.140 3.831 0.031 15 0 "[ . 1 . 2]" 1
748 1 42 ILE MG 1 47 VAL H 0.000 . 5.800 4.270 3.934 4.719 . 0 0 "[ . 1 . 2]" 1
749 1 42 ILE MG 1 47 VAL HA 0.000 . 3.800 3.045 2.628 3.467 . 0 0 "[ . 1 . 2]" 1
750 1 42 ILE MG 1 48 VAL MG2 0.000 . 5.000 3.472 3.283 3.688 . 0 0 "[ . 1 . 2]" 1
751 1 42 ILE MG 1 87 VAL HB 0.000 . 5.000 4.933 4.617 5.129 0.129 20 0 "[ . 1 . 2]" 1
752 1 43 ARG H 1 46 ILE H 0.000 . 5.500 3.907 3.163 4.300 . 0 0 "[ . 1 . 2]" 1
753 1 43 ARG H 1 46 ILE HB 0.000 . 5.500 5.511 5.104 5.766 0.266 17 0 "[ . 1 . 2]" 1
754 1 43 ARG H 1 47 VAL HA 0.000 . 3.500 3.453 3.273 3.599 0.099 5 0 "[ . 1 . 2]" 1
755 1 43 ARG H 1 48 VAL H 0.000 . 5.500 3.426 3.308 3.744 . 0 0 "[ . 1 . 2]" 1
756 1 43 ARG H 1 48 VAL MG1 0.000 . 5.000 4.002 3.888 4.087 . 0 0 "[ . 1 . 2]" 1
757 1 43 ARG H 1 48 VAL MG2 0.000 . 3.100 2.008 1.881 2.336 . 0 0 "[ . 1 . 2]" 1
758 1 43 ARG HA 1 44 GLN H 0.000 . 3.500 3.005 2.925 3.070 . 0 0 "[ . 1 . 2]" 1
759 1 43 ARG QB 1 44 GLN H 0.000 . 6.400 2.021 1.944 2.196 . 0 0 "[ . 1 . 2]" 1
760 1 43 ARG QB 1 44 GLN HA 0.000 . 6.400 4.343 4.204 4.510 . 0 0 "[ . 1 . 2]" 1
761 1 43 ARG QB 1 48 VAL HB 0.000 . 5.000 4.689 4.415 4.975 . 0 0 "[ . 1 . 2]" 1
762 1 43 ARG QD 1 48 VAL MG1 0.000 . 6.700 3.587 2.016 4.796 . 0 0 "[ . 1 . 2]" 1
763 1 44 GLN H 1 44 GLN HA 0.000 . 2.800 2.903 2.900 2.905 0.105 5 0 "[ . 1 . 2]" 1
764 1 44 GLN H 1 45 GLY H 0.000 . 5.500 2.830 2.778 2.891 . 0 0 "[ . 1 . 2]" 1
765 1 44 GLN HA 1 44 GLN QG 0.000 . 3.700 2.631 2.093 3.336 . 0 0 "[ . 1 . 2]" 1
766 1 44 GLN HA 1 45 GLY H 0.000 . 2.800 2.930 2.905 2.957 0.157 16 0 "[ . 1 . 2]" 1
767 1 44 GLN QG 1 45 GLY H 0.000 . 6.400 4.282 3.557 4.936 . 0 0 "[ . 1 . 2]" 1
768 1 45 GLY H 1 46 ILE H 0.000 . 5.500 2.536 1.995 2.918 . 0 0 "[ . 1 . 2]" 1
769 1 45 GLY QA 1 46 ILE H 0.000 . 6.400 2.430 2.263 2.705 . 0 0 "[ . 1 . 2]" 1
770 1 46 ILE H 1 46 ILE HB 0.000 . 3.500 3.053 2.957 3.114 . 0 0 "[ . 1 . 2]" 1
771 1 46 ILE H 1 46 ILE MG 0.000 . 3.800 3.530 2.745 3.878 0.078 16 0 "[ . 1 . 2]" 1
772 1 46 ILE H 1 47 VAL H 0.000 . 5.500 4.253 4.215 4.299 . 0 0 "[ . 1 . 2]" 1
773 1 46 ILE HA 1 46 ILE HB 0.000 . 2.800 2.841 2.628 2.935 0.135 9 0 "[ . 1 . 2]" 1
774 1 46 ILE HA 1 46 ILE QG 0.000 . 3.700 2.705 2.009 3.333 . 0 0 "[ . 1 . 2]" 1
775 1 46 ILE HA 1 46 ILE MG 0.000 . 3.100 2.409 1.962 3.184 0.084 19 0 "[ . 1 . 2]" 1
776 1 46 ILE HA 1 47 VAL H 0.000 . 2.800 2.886 2.802 2.936 0.136 7 0 "[ . 1 . 2]" 1
777 1 46 ILE QG 1 47 VAL H 0.000 . 6.400 3.335 1.934 3.965 . 0 0 "[ . 1 . 2]" 1
778 1 47 VAL H 1 47 VAL HB 0.000 . 2.800 2.555 2.457 2.605 . 0 0 "[ . 1 . 2]" 1
779 1 47 VAL H 1 47 VAL MG2 0.000 . 3.100 2.243 2.053 2.422 . 0 0 "[ . 1 . 2]" 1
780 1 47 VAL H 1 48 VAL H 0.000 . 5.500 4.509 4.479 4.534 . 0 0 "[ . 1 . 2]" 1
781 1 47 VAL HA 1 47 VAL MG1 0.000 . 3.100 2.265 2.187 2.390 . 0 0 "[ . 1 . 2]" 1
782 1 47 VAL HA 1 47 VAL MG2 0.000 . 3.100 2.430 2.323 2.524 . 0 0 "[ . 1 . 2]" 1
783 1 47 VAL HA 1 48 VAL H 0.000 . 2.800 2.111 2.086 2.135 . 0 0 "[ . 1 . 2]" 1
784 1 47 VAL HA 1 49 TYR H 0.000 . 3.500 3.753 3.697 3.842 0.342 6 0 "[ . 1 . 2]" 1
785 1 47 VAL HB 1 48 VAL H 0.000 . 5.500 3.972 3.895 4.064 . 0 0 "[ . 1 . 2]" 1
786 1 47 VAL HB 1 49 TYR H 0.000 . 5.500 4.346 4.151 4.657 . 0 0 "[ . 1 . 2]" 1
787 1 47 VAL MG1 1 48 VAL H 0.000 . 3.100 2.160 2.057 2.366 . 0 0 "[ . 1 . 2]" 1
788 1 47 VAL MG1 1 49 TYR H 0.000 . 3.100 2.040 1.915 2.246 . 0 0 "[ . 1 . 2]" 1
789 1 47 VAL MG1 1 50 GLU QG 0.000 . 4.000 1.757 1.680 1.938 . 0 0 "[ . 1 . 2]" 1
790 1 48 VAL H 1 48 VAL HB 0.000 . 3.500 3.043 2.942 3.167 . 0 0 "[ . 1 . 2]" 1
791 1 48 VAL H 1 48 VAL MG1 0.000 . 3.800 3.746 3.720 3.763 . 0 0 "[ . 1 . 2]" 1
792 1 48 VAL H 1 48 VAL MG2 0.000 . 3.100 1.934 1.853 2.002 . 0 0 "[ . 1 . 2]" 1
793 1 48 VAL H 1 49 TYR H 0.000 . 2.800 2.146 2.033 2.195 . 0 0 "[ . 1 . 2]" 1
794 1 48 VAL HA 1 48 VAL HB 0.000 . 2.800 2.930 2.903 2.951 0.151 6 0 "[ . 1 . 2]" 1
795 1 48 VAL HA 1 48 VAL MG1 0.000 . 3.100 2.038 1.979 2.090 . 0 0 "[ . 1 . 2]" 1
796 1 48 VAL HA 1 49 TYR H 0.000 . 3.500 3.481 3.470 3.496 . 0 0 "[ . 1 . 2]" 1
797 1 48 VAL HA 1 49 TYR QB 0.000 . 6.400 4.419 4.290 4.608 . 0 0 "[ . 1 . 2]" 1
798 1 48 VAL HA 1 49 TYR QD 0.000 . 7.700 5.427 4.688 6.018 . 0 0 "[ . 1 . 2]" 1
799 1 48 VAL HB 1 49 TYR H 0.000 . 3.500 2.867 2.634 3.003 . 0 0 "[ . 1 . 2]" 1
800 1 48 VAL HB 1 85 GLY QA 0.000 . 6.400 4.862 4.501 5.331 . 0 0 "[ . 1 . 2]" 1
801 1 48 VAL MG1 1 49 TYR H 0.000 . 5.800 4.104 3.967 4.185 . 0 0 "[ . 1 . 2]" 1
802 1 48 VAL MG1 1 81 ASP HB2 0.000 . 5.000 2.850 2.282 3.150 . 0 0 "[ . 1 . 2]" 1
803 1 48 VAL MG2 1 49 TYR H 0.000 . 3.100 3.169 3.062 3.253 0.153 8 0 "[ . 1 . 2]" 1
804 1 49 TYR HA 1 49 TYR QE 0.000 . 5.700 4.387 4.258 4.608 . 0 0 "[ . 1 . 2]" 1
805 1 49 TYR HA 1 50 GLU H 0.000 . 2.800 2.327 2.249 2.462 . 0 0 "[ . 1 . 2]" 1
806 1 49 TYR HA 1 50 GLU HA 0.000 . 5.500 4.471 4.425 4.527 . 0 0 "[ . 1 . 2]" 1
807 1 49 TYR HA 1 50 GLU HB2 0.000 . 5.500 4.638 4.512 4.764 . 0 0 "[ . 1 . 2]" 1
808 1 49 TYR HA 1 50 GLU QG 0.000 . 4.400 3.424 3.209 3.828 . 0 0 "[ . 1 . 2]" 1
809 1 49 TYR HA 1 79 PHE HZ 0.000 . 5.500 5.610 5.527 5.779 0.279 10 0 "[ . 1 . 2]" 1
810 1 49 TYR HA 1 81 ASP H 0.000 . 5.500 5.745 5.688 5.811 0.311 4 0 "[ . 1 . 2]" 1
811 1 49 TYR QB 1 50 GLU H 0.000 . 6.400 3.218 2.836 3.486 . 0 0 "[ . 1 . 2]" 1
812 1 49 TYR QB 1 76 ILE MG 0.000 . 6.000 3.280 2.805 4.015 . 0 0 "[ . 1 . 2]" 1
813 1 49 TYR QB 1 79 PHE QD 0.000 . 8.600 3.200 2.522 3.470 . 0 0 "[ . 1 . 2]" 1
814 1 49 TYR QB 1 79 PHE QE 0.000 . 8.600 2.053 1.781 2.386 . 0 0 "[ . 1 . 2]" 1
815 1 49 TYR QD 1 50 GLU H 0.000 . 7.700 2.884 2.638 3.211 . 0 0 "[ . 1 . 2]" 1
816 1 49 TYR QD 1 51 GLY H 0.000 . 7.700 4.867 4.153 5.430 . 0 0 "[ . 1 . 2]" 1
817 1 49 TYR QD 1 51 GLY QA 0.000 . 8.600 4.405 4.187 4.631 . 0 0 "[ . 1 . 2]" 1
818 1 49 TYR QD 1 79 PHE QD 0.000 . 9.900 2.933 2.374 3.518 . 0 0 "[ . 1 . 2]" 1
819 1 49 TYR QD 1 79 PHE QE 0.000 . 9.900 3.207 2.560 3.675 . 0 0 "[ . 1 . 2]" 1
820 1 49 TYR QD 1 79 PHE HZ 0.000 . 7.700 4.739 4.590 4.856 . 0 0 "[ . 1 . 2]" 1
821 1 49 TYR QE 1 50 GLU HA 0.000 . 7.700 5.183 4.226 6.169 . 0 0 "[ . 1 . 2]" 1
822 1 49 TYR QE 1 51 GLY H 0.000 . 7.700 5.404 4.026 6.736 . 0 0 "[ . 1 . 2]" 1
823 1 49 TYR QE 1 51 GLY QA 0.000 . 5.900 3.697 2.700 4.928 . 0 0 "[ . 1 . 2]" 1
824 1 49 TYR QE 1 52 GLU H 0.000 . 7.700 4.258 2.860 6.575 . 0 0 "[ . 1 . 2]" 1
825 1 49 TYR QE 1 76 ILE MG 0.000 . 5.300 2.769 2.172 4.192 . 0 0 "[ . 1 . 2]" 1
826 1 49 TYR QE 1 79 PHE HB2 0.000 . 5.700 4.615 4.156 5.194 . 0 0 "[ . 1 . 2]" 1
827 1 49 TYR QE 1 79 PHE HB3 0.000 . 7.700 5.260 5.109 5.562 . 0 0 "[ . 1 . 2]" 1
828 1 49 TYR QE 1 79 PHE QE 0.000 . 9.900 4.900 4.495 5.282 . 0 0 "[ . 1 . 2]" 1
829 1 50 GLU HA 1 50 GLU HB2 0.000 . 2.800 2.991 2.978 2.999 0.199 6 0 "[ . 1 . 2]" 1
830 1 50 GLU HA 1 50 GLU HB3 0.000 . 2.800 2.386 2.337 2.439 . 0 0 "[ . 1 . 2]" 1
831 1 50 GLU HA 1 51 GLY H 0.000 . 2.800 2.339 2.264 2.397 . 0 0 "[ . 1 . 2]" 1
832 1 50 GLU HA 1 51 GLY QA 0.000 . 6.400 3.975 3.954 4.005 . 0 0 "[ . 1 . 2]" 1
833 1 50 GLU HB2 1 51 GLY H 0.000 . 3.500 3.545 3.509 3.600 0.100 15 0 "[ . 1 . 2]" 1
834 1 50 GLU HB3 1 51 GLY H 0.000 . 5.500 2.571 2.387 2.814 . 0 0 "[ . 1 . 2]" 1
835 1 50 GLU QG 1 51 GLY H 0.000 . 6.400 4.076 3.933 4.250 . 0 0 "[ . 1 . 2]" 1
836 1 51 GLY H 1 52 GLU H 0.000 . 5.500 4.204 4.097 4.441 . 0 0 "[ . 1 . 2]" 1
837 1 51 GLY H 1 76 ILE MG 0.000 . 5.800 4.966 4.439 5.733 . 0 0 "[ . 1 . 2]" 1
838 1 51 GLY QA 1 52 GLU H 0.000 . 3.700 2.131 2.109 2.277 . 0 0 "[ . 1 . 2]" 1
839 1 51 GLY QA 1 76 ILE MG 0.000 . 6.700 4.128 3.318 4.501 . 0 0 "[ . 1 . 2]" 1
840 1 52 GLU H 1 52 GLU HB2 0.000 . 3.500 3.816 3.722 3.860 0.360 13 0 "[ . 1 . 2]" 1
841 1 52 GLU H 1 52 GLU HB3 0.000 . 3.500 3.134 2.766 3.345 . 0 0 "[ . 1 . 2]" 1
842 1 52 GLU H 1 53 ILE H 0.000 . 5.500 4.329 4.301 4.397 . 0 0 "[ . 1 . 2]" 1
843 1 52 GLU H 1 76 ILE MG 0.000 . 3.800 3.737 2.867 3.915 0.115 16 0 "[ . 1 . 2]" 1
844 1 52 GLU H 1 77 LYS QB 0.000 . 4.400 2.727 1.956 4.428 0.028 14 0 "[ . 1 . 2]" 1
845 1 52 GLU H 1 77 LYS QG 0.000 . 6.400 2.966 2.217 3.863 . 0 0 "[ . 1 . 2]" 1
846 1 52 GLU HA 1 52 GLU HB2 0.000 . 2.800 2.385 2.218 2.472 . 0 0 "[ . 1 . 2]" 1
847 1 52 GLU HA 1 52 GLU HB3 0.000 . 2.800 2.528 2.415 2.818 0.018 4 0 "[ . 1 . 2]" 1
848 1 52 GLU HA 1 53 ILE H 0.000 . 2.800 2.555 2.487 2.594 . 0 0 "[ . 1 . 2]" 1
849 1 52 GLU HA 1 53 ILE HA 0.000 . 3.500 4.172 4.146 4.202 0.702 2 20 [*+***-**************] 1
850 1 52 GLU HA 1 53 ILE HB 0.000 . 5.500 4.613 4.123 4.934 . 0 0 "[ . 1 . 2]" 1
851 1 52 GLU HA 1 90 ALA HA 0.000 . 5.500 5.581 5.525 5.680 0.180 6 0 "[ . 1 . 2]" 1
852 1 52 GLU HB2 1 53 ILE H 0.000 . 5.500 2.149 1.963 2.822 . 0 0 "[ . 1 . 2]" 1
853 1 52 GLU HB3 1 53 ILE H 0.000 . 3.500 3.545 3.448 3.728 0.228 18 0 "[ . 1 . 2]" 1
854 1 52 GLU HB3 1 77 LYS QD 0.000 . 3.700 3.669 2.680 3.807 0.107 14 0 "[ . 1 . 2]" 1
855 1 52 GLU HB3 1 77 LYS QG 0.000 . 4.400 4.435 4.176 4.496 0.096 5 0 "[ . 1 . 2]" 1
856 1 52 GLU QG 1 53 ILE H 0.000 . 6.400 2.856 1.920 3.418 . 0 0 "[ . 1 . 2]" 1
857 1 53 ILE H 1 53 ILE HB 0.000 . 2.800 2.376 2.195 2.473 . 0 0 "[ . 1 . 2]" 1
858 1 53 ILE H 1 53 ILE MG 0.000 . 3.800 3.485 2.831 3.785 . 0 0 "[ . 1 . 2]" 1
859 1 53 ILE HA 1 53 ILE HB 0.000 . 2.800 2.903 2.700 2.988 0.188 1 0 "[ . 1 . 2]" 1
860 1 53 ILE HA 1 53 ILE MG 0.000 . 3.100 2.691 2.371 3.153 0.053 6 0 "[ . 1 . 2]" 1
861 1 53 ILE HA 1 54 ASP H 0.000 . 5.500 2.320 2.274 2.405 . 0 0 "[ . 1 . 2]" 1
862 1 53 ILE HA 1 55 SER H 0.000 . 5.500 4.526 4.141 4.887 . 0 0 "[ . 1 . 2]" 1
863 1 53 ILE HA 1 77 LYS H 0.000 . 5.500 2.970 2.709 3.336 . 0 0 "[ . 1 . 2]" 1
864 1 53 ILE HB 1 54 ASP H 0.000 . 5.500 4.045 3.630 4.334 . 0 0 "[ . 1 . 2]" 1
865 1 53 ILE HB 1 76 ILE HA 0.000 . 5.000 5.114 5.031 5.225 0.225 19 0 "[ . 1 . 2]" 1
866 1 53 ILE QG 1 55 SER QB 0.000 . 7.300 6.571 5.168 7.281 . 0 0 "[ . 1 . 2]" 1
867 1 53 ILE QG 1 77 LYS H 0.000 . 6.400 4.815 3.953 5.651 . 0 0 "[ . 1 . 2]" 1
868 1 53 ILE MG 1 54 ASP H 0.000 . 3.800 2.384 1.882 3.103 . 0 0 "[ . 1 . 2]" 1
869 1 53 ILE MG 1 54 ASP HA 0.000 . 5.000 3.791 3.654 3.863 . 0 0 "[ . 1 . 2]" 1
870 1 53 ILE MG 1 55 SER H 0.000 . 3.100 2.682 2.247 3.166 0.066 16 0 "[ . 1 . 2]" 1
871 1 53 ILE MG 1 55 SER HA 0.000 . 3.100 3.206 3.166 3.248 0.148 16 0 "[ . 1 . 2]" 1
872 1 53 ILE MG 1 56 LEU H 0.000 . 5.800 4.023 3.695 4.441 . 0 0 "[ . 1 . 2]" 1
873 1 54 ASP H 1 55 SER H 0.000 . 3.500 2.438 2.232 2.622 . 0 0 "[ . 1 . 2]" 1
874 1 54 ASP H 1 76 ILE HA 0.000 . 5.500 2.633 2.302 3.085 . 0 0 "[ . 1 . 2]" 1
875 1 54 ASP H 1 76 ILE MD 0.000 . 5.800 3.537 3.069 3.958 . 0 0 "[ . 1 . 2]" 1
876 1 54 ASP H 1 77 LYS H 0.000 . 5.500 2.517 2.148 3.324 . 0 0 "[ . 1 . 2]" 1
877 1 54 ASP HA 1 55 SER H 0.000 . 5.500 3.561 3.533 3.576 . 0 0 "[ . 1 . 2]" 1
878 1 54 ASP HA 1 77 LYS HA 0.000 . 3.500 3.466 3.033 3.611 0.111 13 0 "[ . 1 . 2]" 1
879 1 54 ASP HA 1 77 LYS QG 0.000 . 4.400 4.467 4.406 4.495 0.095 4 0 "[ . 1 . 2]" 1
880 1 54 ASP QB 1 55 SER H 0.000 . 4.400 2.291 1.998 2.565 . 0 0 "[ . 1 . 2]" 1
881 1 54 ASP QB 1 75 THR MG 0.000 . 6.700 2.960 1.830 3.428 . 0 0 "[ . 1 . 2]" 1
882 1 54 ASP QB 1 77 LYS H 0.000 . 6.400 2.314 1.874 2.865 . 0 0 "[ . 1 . 2]" 1
883 1 54 ASP QB 1 77 LYS HA 0.000 . 3.700 2.879 1.951 3.559 . 0 0 "[ . 1 . 2]" 1
884 1 54 ASP QB 1 77 LYS QB 0.000 . 7.300 4.153 3.188 4.651 . 0 0 "[ . 1 . 2]" 1
885 1 54 ASP QB 1 77 LYS QG 0.000 . 5.300 4.602 3.953 5.074 . 0 0 "[ . 1 . 2]" 1
886 1 54 ASP QB 1 78 ASN H 0.000 . 6.400 5.256 4.411 5.907 . 0 0 "[ . 1 . 2]" 1
887 1 55 SER H 1 74 LEU HA 0.000 . 5.500 4.151 3.999 4.327 . 0 0 "[ . 1 . 2]" 1
888 1 55 SER H 1 74 LEU HB3 0.000 . 5.500 4.649 3.963 4.880 . 0 0 "[ . 1 . 2]" 1
889 1 55 SER H 1 75 THR H 0.000 . 3.500 2.628 2.452 2.892 . 0 0 "[ . 1 . 2]" 1
890 1 55 SER H 1 75 THR MG 0.000 . 5.800 4.067 1.957 4.821 . 0 0 "[ . 1 . 2]" 1
891 1 55 SER H 1 76 ILE MD 0.000 . 5.800 4.671 4.468 5.114 . 0 0 "[ . 1 . 2]" 1
892 1 55 SER HA 1 56 LEU H 0.000 . 2.800 2.319 2.235 2.458 . 0 0 "[ . 1 . 2]" 1
893 1 55 SER HA 1 56 LEU HA 0.000 . 5.500 4.427 4.383 4.477 . 0 0 "[ . 1 . 2]" 1
894 1 55 SER HA 1 74 LEU HA 0.000 . 5.500 5.445 5.373 5.551 0.051 19 0 "[ . 1 . 2]" 1
895 1 55 SER QB 1 56 LEU H 0.000 . 6.400 2.799 2.406 3.445 . 0 0 "[ . 1 . 2]" 1
896 1 55 SER QB 1 75 THR H 0.000 . 6.400 3.647 2.931 4.453 . 0 0 "[ . 1 . 2]" 1
897 1 55 SER QB 1 75 THR MG 0.000 . 6.700 4.286 2.296 5.500 . 0 0 "[ . 1 . 2]" 1
898 1 56 LEU H 1 56 LEU HG 0.000 . 5.500 4.425 3.151 4.976 . 0 0 "[ . 1 . 2]" 1
899 1 56 LEU H 1 57 LYS H 0.000 . 5.500 4.193 4.023 4.411 . 0 0 "[ . 1 . 2]" 1
900 1 56 LEU HA 1 56 LEU HG 0.000 . 3.500 2.932 2.135 3.618 0.118 14 0 "[ . 1 . 2]" 1
901 1 56 LEU HA 1 57 LYS H 0.000 . 2.800 2.080 2.027 2.138 . 0 0 "[ . 1 . 2]" 1
902 1 56 LEU HA 1 58 ARG H 0.000 . 5.500 5.698 5.626 5.791 0.291 20 0 "[ . 1 . 2]" 1
903 1 56 LEU HA 1 74 LEU HA 0.000 . 2.800 2.828 2.538 2.909 0.109 19 0 "[ . 1 . 2]" 1
904 1 56 LEU HA 1 74 LEU HB3 0.000 . 3.500 2.041 1.913 2.454 . 0 0 "[ . 1 . 2]" 1
905 1 56 LEU HA 1 74 LEU HG 0.000 . 5.500 4.776 3.586 5.265 . 0 0 "[ . 1 . 2]" 1
906 1 56 LEU HA 1 75 THR H 0.000 . 5.500 4.266 3.977 4.393 . 0 0 "[ . 1 . 2]" 1
907 1 56 LEU QB 1 56 LEU HG 0.000 . 2.800 2.370 2.159 2.526 . 0 0 "[ . 1 . 2]" 1
908 1 56 LEU HB3 1 57 LYS HA 0.000 . 5.500 4.613 4.076 5.691 0.191 20 0 "[ . 1 . 2]" 1
909 1 56 LEU HG 1 57 LYS H 0.000 . 5.500 3.821 2.931 5.284 . 0 0 "[ . 1 . 2]" 1
910 1 57 LYS H 1 75 THR H 0.000 . 5.500 5.070 4.772 5.331 . 0 0 "[ . 1 . 2]" 1
911 1 57 LYS HA 1 58 ARG H 0.000 . 2.800 2.121 2.098 2.154 . 0 0 "[ . 1 . 2]" 1
912 1 57 LYS HA 1 58 ARG HA 0.000 . 5.500 4.377 4.340 4.401 . 0 0 "[ . 1 . 2]" 1
913 1 57 LYS HA 1 58 ARG QB 0.000 . 6.400 4.037 3.969 4.347 . 0 0 "[ . 1 . 2]" 1
914 1 57 LYS HA 1 61 ASP HA 0.000 . 5.500 5.442 5.196 5.638 0.138 9 0 "[ . 1 . 2]" 1
915 1 57 LYS HA 1 62 ASP HA 0.000 . 2.800 1.992 1.941 2.505 . 0 0 "[ . 1 . 2]" 1
916 1 57 LYS HA 1 62 ASP QB 0.000 . 6.400 3.768 3.414 4.609 . 0 0 "[ . 1 . 2]" 1
917 1 57 LYS HA 1 63 VAL H 0.000 . 3.500 3.023 2.779 3.245 . 0 0 "[ . 1 . 2]" 1
918 1 57 LYS HA 1 63 VAL HA 0.000 . 5.500 5.575 5.548 5.607 0.107 4 0 "[ . 1 . 2]" 1
919 1 57 LYS HA 1 63 VAL MG2 0.000 . 5.000 3.406 3.323 3.528 . 0 0 "[ . 1 . 2]" 1
920 1 57 LYS QB 1 58 ARG H 0.000 . 6.400 3.416 3.166 3.871 . 0 0 "[ . 1 . 2]" 1
921 1 57 LYS QB 1 62 ASP HA 0.000 . 6.400 2.988 2.434 3.725 . 0 0 "[ . 1 . 2]" 1
922 1 57 LYS QB 1 73 GLY H 0.000 . 6.400 5.044 4.459 5.536 . 0 0 "[ . 1 . 2]" 1
923 1 58 ARG H 1 61 ASP H 0.000 . 3.500 3.635 3.593 3.684 0.184 20 0 "[ . 1 . 2]" 1
924 1 58 ARG H 1 61 ASP QB 0.000 . 6.400 4.884 3.613 5.503 . 0 0 "[ . 1 . 2]" 1
925 1 58 ARG H 1 63 VAL H 0.000 . 5.500 2.893 2.624 3.138 . 0 0 "[ . 1 . 2]" 1
926 1 58 ARG H 1 63 VAL MG1 0.000 . 3.800 3.560 2.561 3.833 0.033 18 0 "[ . 1 . 2]" 1
927 1 58 ARG H 1 63 VAL MG2 0.000 . 5.800 3.024 2.824 3.282 . 0 0 "[ . 1 . 2]" 1
928 1 58 ARG HA 1 59 TYR H 0.000 . 2.800 2.958 2.835 3.422 0.622 19 3 "[ . 1 .- +*]" 1
929 1 58 ARG HA 1 59 TYR HA 0.000 . 5.500 4.374 4.345 4.502 . 0 0 "[ . 1 . 2]" 1
930 1 58 ARG HA 1 59 TYR QD 0.000 . 7.700 4.776 3.203 5.800 . 0 0 "[ . 1 . 2]" 1
931 1 58 ARG HA 1 63 VAL MG1 0.000 . 5.800 5.231 4.149 5.790 . 0 0 "[ . 1 . 2]" 1
932 1 58 ARG HA 1 63 VAL MG2 0.000 . 5.800 4.327 3.761 4.811 . 0 0 "[ . 1 . 2]" 1
933 1 58 ARG HA 1 72 CYS HA 0.000 . 2.800 2.793 2.459 2.872 0.072 7 0 "[ . 1 . 2]" 1
934 1 58 ARG QB 1 59 TYR H 0.000 . 6.400 2.179 1.952 2.649 . 0 0 "[ . 1 . 2]" 1
935 1 58 ARG QB 1 63 VAL MG1 0.000 . 4.000 2.884 2.049 3.843 . 0 0 "[ . 1 . 2]" 1
936 1 58 ARG QB 1 63 VAL MG2 0.000 . 4.700 2.412 2.006 2.988 . 0 0 "[ . 1 . 2]" 1
937 1 59 TYR H 1 59 TYR HA 0.000 . 2.800 2.885 2.869 2.890 0.090 13 0 "[ . 1 . 2]" 1
938 1 59 TYR HA 1 59 TYR QE 0.000 . 5.700 4.493 4.148 5.649 . 0 0 "[ . 1 . 2]" 1
939 1 59 TYR HA 1 60 LYS H 0.000 . 5.500 3.279 2.137 3.558 . 0 0 "[ . 1 . 2]" 1
940 1 59 TYR QB 1 60 LYS H 0.000 . 3.700 3.124 1.983 3.730 0.030 2 0 "[ . 1 . 2]" 1
941 1 59 TYR QB 1 60 LYS QG 0.000 . 7.300 4.632 4.055 5.113 . 0 0 "[ . 1 . 2]" 1
942 1 59 TYR QB 1 61 ASP H 0.000 . 6.400 5.113 3.751 5.818 . 0 0 "[ . 1 . 2]" 1
943 1 59 TYR QD 1 60 LYS H 0.000 . 7.700 4.436 1.965 4.903 . 0 0 "[ . 1 . 2]" 1
944 1 59 TYR QD 1 60 LYS QG 0.000 . 8.600 5.596 3.085 6.498 . 0 0 "[ . 1 . 2]" 1
945 1 59 TYR QE 1 60 LYS H 0.000 . 7.700 6.348 4.013 6.935 . 0 0 "[ . 1 . 2]" 1
946 1 60 LYS H 1 60 LYS QB 0.000 . 2.800 2.231 2.075 2.822 0.022 9 0 "[ . 1 . 2]" 1
947 1 60 LYS H 1 61 ASP H 0.000 . 2.800 2.471 2.289 2.787 . 0 0 "[ . 1 . 2]" 1
948 1 60 LYS HA 1 60 LYS QB 0.000 . 2.800 2.525 2.508 2.528 . 0 0 "[ . 1 . 2]" 1
949 1 60 LYS HA 1 60 LYS QG 0.000 . 3.700 2.186 2.011 2.537 . 0 0 "[ . 1 . 2]" 1
950 1 60 LYS HA 1 61 ASP H 0.000 . 5.500 3.446 2.947 3.591 . 0 0 "[ . 1 . 2]" 1
951 1 60 LYS HA 1 61 ASP HA 0.000 . 5.500 4.554 4.360 4.629 . 0 0 "[ . 1 . 2]" 1
952 1 60 LYS QB 1 61 ASP H 0.000 . 5.500 2.657 2.210 3.764 . 0 0 "[ . 1 . 2]" 1
953 1 60 LYS QB 1 61 ASP HA 0.000 . 5.500 4.300 4.220 4.477 . 0 0 "[ . 1 . 2]" 1
954 1 60 LYS QG 1 61 ASP H 0.000 . 6.400 4.330 4.118 4.761 . 0 0 "[ . 1 . 2]" 1
955 1 61 ASP H 1 61 ASP HA 0.000 . 2.800 2.885 2.881 2.890 0.090 19 0 "[ . 1 . 2]" 1
956 1 61 ASP H 1 62 ASP H 0.000 . 5.500 4.304 3.999 4.362 . 0 0 "[ . 1 . 2]" 1
957 1 61 ASP H 1 63 VAL MG1 0.000 . 5.800 3.613 3.043 5.039 . 0 0 "[ . 1 . 2]" 1
958 1 61 ASP HA 1 62 ASP H 0.000 . 2.800 2.589 2.117 2.813 0.013 14 0 "[ . 1 . 2]" 1
959 1 61 ASP QB 1 63 VAL MG1 0.000 . 4.000 3.149 1.999 4.005 0.005 12 0 "[ . 1 . 2]" 1
960 1 62 ASP H 1 62 ASP HA 0.000 . 2.800 2.896 2.889 2.913 0.113 11 0 "[ . 1 . 2]" 1
961 1 62 ASP H 1 62 ASP QB 0.000 . 3.700 2.517 2.196 2.776 . 0 0 "[ . 1 . 2]" 1
962 1 62 ASP H 1 63 VAL H 0.000 . 5.500 3.709 3.394 4.064 . 0 0 "[ . 1 . 2]" 1
963 1 62 ASP HA 1 63 VAL H 0.000 . 2.800 2.430 2.248 2.597 . 0 0 "[ . 1 . 2]" 1
964 1 62 ASP HA 1 63 VAL HA 0.000 . 5.500 4.573 4.454 4.671 . 0 0 "[ . 1 . 2]" 1
965 1 62 ASP HA 1 63 VAL MG1 0.000 . 5.800 4.230 4.049 4.421 . 0 0 "[ . 1 . 2]" 1
966 1 62 ASP QB 1 63 VAL H 0.000 . 6.400 3.932 3.746 4.046 . 0 0 "[ . 1 . 2]" 1
967 1 63 VAL H 1 63 VAL MG1 0.000 . 3.800 2.226 2.064 2.490 . 0 0 "[ . 1 . 2]" 1
968 1 63 VAL H 1 63 VAL MG2 0.000 . 3.100 2.132 1.966 2.230 . 0 0 "[ . 1 . 2]" 1
969 1 63 VAL HA 1 63 VAL HB 0.000 . 2.800 2.436 2.422 2.465 . 0 0 "[ . 1 . 2]" 1
970 1 63 VAL HA 1 63 VAL MG1 0.000 . 3.100 2.326 2.266 2.439 . 0 0 "[ . 1 . 2]" 1
971 1 63 VAL HA 1 63 VAL MG2 0.000 . 3.100 3.181 3.175 3.191 0.091 7 0 "[ . 1 . 2]" 1
972 1 63 VAL HA 1 64 ARG H 0.000 . 2.800 2.302 2.233 2.462 . 0 0 "[ . 1 . 2]" 1
973 1 63 VAL HA 1 64 ARG HA 0.000 . 3.500 4.171 4.158 4.237 0.737 13 20 [*******-****+*******] 1
974 1 63 VAL HA 1 64 ARG QB 0.000 . 6.400 3.943 3.886 4.034 . 0 0 "[ . 1 . 2]" 1
975 1 63 VAL HA 1 64 ARG QD 0.000 . 6.400 5.691 4.942 6.320 . 0 0 "[ . 1 . 2]" 1
976 1 63 VAL HA 1 65 GLU H 0.000 . 5.500 4.297 4.121 4.531 . 0 0 "[ . 1 . 2]" 1
977 1 63 VAL HB 1 64 ARG H 0.000 . 3.500 2.343 1.977 2.526 . 0 0 "[ . 1 . 2]" 1
978 1 63 VAL HB 1 64 ARG HA 0.000 . 5.500 4.589 4.444 4.668 . 0 0 "[ . 1 . 2]" 1
979 1 63 VAL HB 1 65 GLU H 0.000 . 2.800 2.826 2.674 2.892 0.092 13 0 "[ . 1 . 2]" 1
980 1 63 VAL MG1 1 64 ARG H 0.000 . 3.800 3.607 3.464 3.707 . 0 0 "[ . 1 . 2]" 1
981 1 63 VAL MG1 1 65 GLU H 0.000 . 5.800 4.407 4.289 4.446 . 0 0 "[ . 1 . 2]" 1
982 1 63 VAL MG2 1 64 ARG H 0.000 . 5.800 3.411 3.092 3.548 . 0 0 "[ . 1 . 2]" 1
983 1 63 VAL MG2 1 65 GLU H 0.000 . 5.000 3.135 3.026 3.167 . 0 0 "[ . 1 . 2]" 1
984 1 64 ARG H 1 64 ARG HG2 0.000 . 5.500 4.641 4.593 4.702 . 0 0 "[ . 1 . 2]" 1
985 1 64 ARG H 1 64 ARG HG3 0.000 . 5.500 4.089 3.784 4.315 . 0 0 "[ . 1 . 2]" 1
986 1 64 ARG H 1 65 GLU H 0.000 . 2.800 2.351 2.210 2.390 . 0 0 "[ . 1 . 2]" 1
987 1 64 ARG HA 1 64 ARG QD 0.000 . 4.400 3.816 3.509 4.037 . 0 0 "[ . 1 . 2]" 1
988 1 64 ARG HA 1 64 ARG HG2 0.000 . 2.800 2.900 2.824 3.095 0.295 13 0 "[ . 1 . 2]" 1
989 1 64 ARG HA 1 64 ARG HG3 0.000 . 2.800 2.150 2.026 2.275 . 0 0 "[ . 1 . 2]" 1
990 1 64 ARG HA 1 65 GLU H 0.000 . 5.500 3.530 3.486 3.557 . 0 0 "[ . 1 . 2]" 1
991 1 64 ARG HA 1 65 GLU HA 0.000 . 5.500 4.517 4.501 4.537 . 0 0 "[ . 1 . 2]" 1
992 1 64 ARG QB 1 65 GLU H 0.000 . 4.400 2.814 2.627 2.985 . 0 0 "[ . 1 . 2]" 1
993 1 64 ARG QB 1 97 ALA HA 0.000 . 3.700 3.654 3.252 3.841 0.141 18 0 "[ . 1 . 2]" 1
994 1 64 ARG HG2 1 97 ALA HA 0.000 . 3.500 3.490 3.005 3.598 0.098 5 0 "[ . 1 . 2]" 1
995 1 64 ARG HG3 1 65 GLU H 0.000 . 5.500 5.015 4.819 5.135 . 0 0 "[ . 1 . 2]" 1
996 1 65 GLU H 1 66 VAL H 0.000 . 5.500 4.406 4.383 4.428 . 0 0 "[ . 1 . 2]" 1
997 1 65 GLU HA 1 65 GLU QG 0.000 . 3.700 2.719 2.624 2.801 . 0 0 "[ . 1 . 2]" 1
998 1 65 GLU HA 1 66 VAL H 0.000 . 2.800 2.557 2.520 2.604 . 0 0 "[ . 1 . 2]" 1
999 1 65 GLU HA 1 66 VAL HA 0.000 . 5.500 4.572 4.556 4.599 . 0 0 "[ . 1 . 2]" 1
1000 1 65 GLU QB 1 66 VAL H 0.000 . 4.400 2.161 2.071 2.255 . 0 0 "[ . 1 . 2]" 1
1001 1 65 GLU QB 1 66 VAL HA 0.000 . 6.400 3.803 3.772 3.835 . 0 0 "[ . 1 . 2]" 1
1002 1 65 GLU QG 1 66 VAL HA 0.000 . 6.400 5.771 5.602 5.801 . 0 0 "[ . 1 . 2]" 1
1003 1 66 VAL H 1 66 VAL MG2 0.000 . 3.800 2.527 2.355 2.730 . 0 0 "[ . 1 . 2]" 1
1004 1 66 VAL HA 1 66 VAL HB 0.000 . 2.800 2.919 2.803 2.969 0.169 19 0 "[ . 1 . 2]" 1
1005 1 66 VAL HA 1 66 VAL MG1 0.000 . 3.100 2.103 1.960 2.211 . 0 0 "[ . 1 . 2]" 1
1006 1 66 VAL HA 1 66 VAL MG2 0.000 . 3.100 2.848 2.674 3.068 . 0 0 "[ . 1 . 2]" 1
1007 1 66 VAL HA 1 67 ALA H 0.000 . 2.800 2.334 2.238 2.417 . 0 0 "[ . 1 . 2]" 1
1008 1 66 VAL HA 1 67 ALA HA 0.000 . 5.500 4.459 4.414 4.499 . 0 0 "[ . 1 . 2]" 1
1009 1 66 VAL HA 1 70 TYR HB2 0.000 . 5.500 3.846 3.313 4.104 . 0 0 "[ . 1 . 2]" 1
1010 1 66 VAL HB 1 67 ALA H 0.000 . 5.500 4.272 4.078 4.344 . 0 0 "[ . 1 . 2]" 1
1011 1 66 VAL MG1 1 67 ALA H 0.000 . 3.800 3.787 3.490 3.838 0.038 14 0 "[ . 1 . 2]" 1
1012 1 66 VAL MG1 1 70 TYR H 0.000 . 3.800 3.177 2.805 3.816 0.016 15 0 "[ . 1 . 2]" 1
1013 1 66 VAL MG1 1 70 TYR HA 0.000 . 3.800 3.816 3.708 3.864 0.064 14 0 "[ . 1 . 2]" 1
1014 1 66 VAL MG1 1 70 TYR HB2 0.000 . 3.100 2.481 2.217 2.708 . 0 0 "[ . 1 . 2]" 1
1015 1 66 VAL MG1 1 70 TYR HB3 0.000 . 3.100 2.042 1.840 2.292 . 0 0 "[ . 1 . 2]" 1
1016 1 66 VAL MG1 1 70 TYR QD 0.000 . 5.300 3.611 3.188 3.984 . 0 0 "[ . 1 . 2]" 1
1017 1 66 VAL MG1 1 71 GLU H 0.000 . 5.800 3.733 3.514 3.840 . 0 0 "[ . 1 . 2]" 1
1018 1 66 VAL MG1 1 71 GLU HA 0.000 . 5.800 3.353 2.872 3.751 . 0 0 "[ . 1 . 2]" 1
1019 1 66 VAL MG1 1 72 CYS HA 0.000 . 5.000 3.817 3.728 3.863 . 0 0 "[ . 1 . 2]" 1
1020 1 66 VAL MG2 1 67 ALA H 0.000 . 5.800 4.467 4.426 4.500 . 0 0 "[ . 1 . 2]" 1
1021 1 66 VAL MG2 1 70 TYR HB3 0.000 . 5.000 4.556 4.332 4.786 . 0 0 "[ . 1 . 2]" 1
1022 1 66 VAL MG2 1 71 GLU HA 0.000 . 5.000 4.617 4.078 5.044 0.044 2 0 "[ . 1 . 2]" 1
1023 1 67 ALA H 1 67 ALA MB 0.000 . 3.100 2.316 2.229 2.452 . 0 0 "[ . 1 . 2]" 1
1024 1 67 ALA HA 1 68 GLN H 0.000 . 3.500 2.477 2.396 2.542 . 0 0 "[ . 1 . 2]" 1
1025 1 67 ALA MB 1 68 GLN H 0.000 . 3.100 2.279 2.017 2.455 . 0 0 "[ . 1 . 2]" 1
1026 1 67 ALA MB 1 68 GLN QG 0.000 . 6.000 3.884 2.365 5.047 . 0 0 "[ . 1 . 2]" 1
1027 1 68 GLN H 1 69 GLY H 0.000 . 5.500 3.791 3.708 3.854 . 0 0 "[ . 1 . 2]" 1
1028 1 68 GLN H 1 69 GLY QA 0.000 . 4.400 4.586 4.574 4.597 0.197 6 0 "[ . 1 . 2]" 1
1029 1 69 GLY H 1 70 TYR H 0.000 . 3.500 1.982 1.970 1.997 . 0 0 "[ . 1 . 2]" 1
1030 1 69 GLY QA 1 70 TYR H 0.000 . 4.400 2.742 2.735 2.754 . 0 0 "[ . 1 . 2]" 1
1031 1 70 TYR H 1 70 TYR HB3 0.000 . 3.500 3.387 3.322 3.476 . 0 0 "[ . 1 . 2]" 1
1032 1 70 TYR H 1 71 GLU H 0.000 . 5.500 4.536 4.500 4.573 . 0 0 "[ . 1 . 2]" 1
1033 1 70 TYR HA 1 70 TYR HB2 0.000 . 2.800 2.900 2.873 2.937 0.137 1 0 "[ . 1 . 2]" 1
1034 1 70 TYR HA 1 70 TYR HB3 0.000 . 2.800 2.768 2.702 2.812 0.012 13 0 "[ . 1 . 2]" 1
1035 1 70 TYR HA 1 71 GLU H 0.000 . 3.500 2.227 2.160 2.314 . 0 0 "[ . 1 . 2]" 1
1036 1 70 TYR HA 1 71 GLU HA 0.000 . 5.500 4.344 4.329 4.355 . 0 0 "[ . 1 . 2]" 1
1037 1 70 TYR HA 1 71 GLU QG 0.000 . 6.400 3.367 3.176 3.807 . 0 0 "[ . 1 . 2]" 1
1038 1 70 TYR HB2 1 71 GLU H 0.000 . 5.500 4.247 4.104 4.339 . 0 0 "[ . 1 . 2]" 1
1039 1 70 TYR HB2 1 71 GLU HA 0.000 . 5.500 5.508 5.348 5.533 0.033 16 0 "[ . 1 . 2]" 1
1040 1 70 TYR HB3 1 71 GLU H 0.000 . 5.500 3.122 2.864 3.281 . 0 0 "[ . 1 . 2]" 1
1041 1 70 TYR QD 1 71 GLU H 0.000 . 7.700 3.112 2.193 4.127 . 0 0 "[ . 1 . 2]" 1
1042 1 71 GLU H 1 71 GLU HB3 0.000 . 3.500 3.603 3.554 3.653 0.153 14 0 "[ . 1 . 2]" 1
1043 1 71 GLU HA 1 71 GLU HB3 0.000 . 2.800 2.302 2.228 2.396 . 0 0 "[ . 1 . 2]" 1
1044 1 71 GLU HA 1 72 CYS H 0.000 . 2.800 2.266 2.142 2.407 . 0 0 "[ . 1 . 2]" 1
1045 1 71 GLU HA 1 72 CYS HA 0.000 . 5.500 4.456 4.388 4.509 . 0 0 "[ . 1 . 2]" 1
1046 1 71 GLU HB2 1 72 CYS H 0.000 . 3.500 3.494 3.077 3.552 0.052 7 0 "[ . 1 . 2]" 1
1047 1 71 GLU HB3 1 72 CYS H 0.000 . 3.500 3.019 2.532 3.530 0.030 19 0 "[ . 1 . 2]" 1
1048 1 71 GLU QG 1 72 CYS H 0.000 . 6.400 4.381 4.053 4.737 . 0 0 "[ . 1 . 2]" 1
1049 1 72 CYS HA 1 73 GLY H 0.000 . 5.500 2.380 2.204 2.768 . 0 0 "[ . 1 . 2]" 1
1050 1 72 CYS HA 1 73 GLY QA 0.000 . 6.400 3.923 3.886 4.014 . 0 0 "[ . 1 . 2]" 1
1051 1 72 CYS QB 1 73 GLY H 0.000 . 4.400 3.015 1.941 3.569 . 0 0 "[ . 1 . 2]" 1
1052 1 72 CYS QB 1 74 LEU HB3 0.000 . 6.400 4.356 3.820 5.027 . 0 0 "[ . 1 . 2]" 1
1053 1 73 GLY QA 1 74 LEU H 0.000 . 3.700 2.156 2.118 2.226 . 0 0 "[ . 1 . 2]" 1
1054 1 73 GLY QA 1 74 LEU HA 0.000 . 6.400 3.945 3.929 3.963 . 0 0 "[ . 1 . 2]" 1
1055 1 74 LEU H 1 74 LEU HB2 0.000 . 3.500 3.680 3.541 3.742 0.242 13 0 "[ . 1 . 2]" 1
1056 1 74 LEU H 1 74 LEU HG 0.000 . 2.800 2.093 1.938 2.404 . 0 0 "[ . 1 . 2]" 1
1057 1 74 LEU H 1 75 THR H 0.000 . 5.500 4.366 4.228 4.432 . 0 0 "[ . 1 . 2]" 1
1058 1 74 LEU HA 1 74 LEU HB2 0.000 . 2.800 2.561 2.463 2.743 . 0 0 "[ . 1 . 2]" 1
1059 1 74 LEU HA 1 74 LEU QB 0.000 . 2.800 2.145 2.132 2.154 . 0 0 "[ . 1 . 2]" 1
1060 1 74 LEU HA 1 74 LEU HG 0.000 . 3.500 3.581 3.446 3.642 0.142 3 0 "[ . 1 . 2]" 1
1061 1 74 LEU HA 1 75 THR H 0.000 . 2.800 2.205 2.119 2.267 . 0 0 "[ . 1 . 2]" 1
1062 1 74 LEU HA 1 75 THR HA 0.000 . 5.500 4.354 4.323 4.379 . 0 0 "[ . 1 . 2]" 1
1063 1 74 LEU HB2 1 75 THR H 0.000 . 2.800 2.905 2.839 3.113 0.313 14 0 "[ . 1 . 2]" 1
1064 1 74 LEU HB2 1 76 ILE MD 0.000 . 3.100 3.173 3.102 3.281 0.181 18 0 "[ . 1 . 2]" 1
1065 1 74 LEU HG 1 75 THR H 0.000 . 5.500 4.672 4.397 5.084 . 0 0 "[ . 1 . 2]" 1
1066 1 75 THR HA 1 75 THR MG 0.000 . 3.100 2.384 2.040 3.194 0.094 12 0 "[ . 1 . 2]" 1
1067 1 75 THR HA 1 76 ILE H 0.000 . 3.500 2.287 2.166 2.689 . 0 0 "[ . 1 . 2]" 1
1068 1 75 THR MG 1 76 ILE H 0.000 . 5.800 3.220 2.332 4.295 . 0 0 "[ . 1 . 2]" 1
1069 1 76 ILE H 1 76 ILE MD 0.000 . 5.800 2.814 2.178 3.858 . 0 0 "[ . 1 . 2]" 1
1070 1 76 ILE H 1 79 PHE HA 0.000 . 5.500 5.658 5.553 5.743 0.243 13 0 "[ . 1 . 2]" 1
1071 1 76 ILE HA 1 76 ILE HB 0.000 . 2.800 2.968 2.933 2.995 0.195 18 0 "[ . 1 . 2]" 1
1072 1 76 ILE HA 1 77 LYS H 0.000 . 3.500 2.277 2.169 2.624 . 0 0 "[ . 1 . 2]" 1
1073 1 76 ILE HB 1 77 LYS H 0.000 . 5.500 4.484 3.956 4.651 . 0 0 "[ . 1 . 2]" 1
1074 1 76 ILE HB 1 79 PHE H 0.000 . 5.500 4.209 2.682 5.070 . 0 0 "[ . 1 . 2]" 1
1075 1 76 ILE MG 1 77 LYS H 0.000 . 5.800 3.350 1.960 3.939 . 0 0 "[ . 1 . 2]" 1
1076 1 76 ILE MG 1 79 PHE H 0.000 . 5.000 3.660 2.094 3.983 . 0 0 "[ . 1 . 2]" 1
1077 1 76 ILE MG 1 79 PHE HB2 0.000 . 5.000 3.158 2.603 3.260 . 0 0 "[ . 1 . 2]" 1
1078 1 77 LYS H 1 77 LYS QG 0.000 . 4.400 3.400 2.040 4.303 . 0 0 "[ . 1 . 2]" 1
1079 1 77 LYS HA 1 77 LYS QG 0.000 . 3.700 2.529 2.223 3.313 . 0 0 "[ . 1 . 2]" 1
1080 1 77 LYS HA 1 78 ASN H 0.000 . 2.800 3.182 3.003 3.471 0.671 18 7 "[ * .- 1 * ** +*2]" 1
1081 1 77 LYS HA 1 78 ASN HA 0.000 . 5.500 4.388 4.333 4.525 . 0 0 "[ . 1 . 2]" 1
1082 1 77 LYS HA 1 78 ASN QB 0.000 . 4.400 4.505 4.445 4.616 0.216 17 0 "[ . 1 . 2]" 1
1083 1 77 LYS HA 1 79 PHE H 0.000 . 5.500 4.708 4.422 5.114 . 0 0 "[ . 1 . 2]" 1
1084 1 77 LYS QB 1 78 ASN H 0.000 . 6.400 2.239 1.850 3.788 . 0 0 "[ . 1 . 2]" 1
1085 1 77 LYS QG 1 78 ASN H 0.000 . 6.400 2.293 1.908 3.333 . 0 0 "[ . 1 . 2]" 1
1086 1 77 LYS QG 1 78 ASN HA 0.000 . 4.400 4.433 4.006 4.604 0.204 14 0 "[ . 1 . 2]" 1
1087 1 78 ASN H 1 79 PHE H 0.000 . 3.500 3.242 2.082 3.614 0.114 13 0 "[ . 1 . 2]" 1
1088 1 78 ASN QB 1 79 PHE H 0.000 . 6.400 3.984 3.741 4.054 . 0 0 "[ . 1 . 2]" 1
1089 1 79 PHE H 1 79 PHE HB2 0.000 . 3.500 2.179 2.131 2.265 . 0 0 "[ . 1 . 2]" 1
1090 1 79 PHE H 1 79 PHE HB3 0.000 . 3.500 3.125 3.025 3.213 . 0 0 "[ . 1 . 2]" 1
1091 1 79 PHE H 1 80 ASN H 0.000 . 5.500 4.493 4.465 4.569 . 0 0 "[ . 1 . 2]" 1
1092 1 79 PHE HA 1 79 PHE HB2 0.000 . 2.800 2.693 2.645 2.731 . 0 0 "[ . 1 . 2]" 1
1093 1 79 PHE HA 1 79 PHE HB3 0.000 . 2.800 2.922 2.899 2.934 0.134 10 0 "[ . 1 . 2]" 1
1094 1 79 PHE HA 1 79 PHE QE 0.000 . 5.700 4.152 4.094 4.213 . 0 0 "[ . 1 . 2]" 1
1095 1 79 PHE HA 1 80 ASN H 0.000 . 2.800 2.089 2.052 2.177 . 0 0 "[ . 1 . 2]" 1
1096 1 79 PHE HA 1 80 ASN HA 0.000 . 5.500 4.366 4.347 4.381 . 0 0 "[ . 1 . 2]" 1
1097 1 79 PHE HB3 1 80 ASN H 0.000 . 5.500 3.832 3.253 3.921 . 0 0 "[ . 1 . 2]" 1
1098 1 79 PHE QD 1 80 ASN H 0.000 . 7.700 1.950 1.657 2.963 . 0 0 "[ . 1 . 2]" 1
1099 1 79 PHE QD 1 81 ASP H 0.000 . 7.700 2.111 1.984 3.305 . 0 0 "[ . 1 . 2]" 1
1100 1 79 PHE QD 1 81 ASP HB2 0.000 . 5.000 4.237 3.878 5.232 0.232 17 0 "[ . 1 . 2]" 1
1101 1 79 PHE QD 1 82 ILE HA 0.000 . 7.700 4.356 3.875 4.892 . 0 0 "[ . 1 . 2]" 1
1102 1 79 PHE QD 1 82 ILE MG 0.000 . 5.300 3.941 3.220 4.592 . 0 0 "[ . 1 . 2]" 1
1103 1 79 PHE QE 1 80 ASN H 0.000 . 7.700 3.898 3.597 3.971 . 0 0 "[ . 1 . 2]" 1
1104 1 79 PHE QE 1 81 ASP H 0.000 . 7.700 2.774 2.615 2.999 . 0 0 "[ . 1 . 2]" 1
1105 1 79 PHE HZ 1 81 ASP HB2 0.000 . 3.500 3.669 3.546 3.993 0.493 10 0 "[ . 1 . 2]" 1
1106 1 79 PHE HZ 1 82 ILE HA 0.000 . 5.500 5.278 4.856 5.663 0.163 17 0 "[ . 1 . 2]" 1
1107 1 80 ASN H 1 80 ASN HB2 0.000 . 2.800 2.388 2.306 2.833 0.033 17 0 "[ . 1 . 2]" 1
1108 1 80 ASN H 1 80 ASN HB3 0.000 . 2.800 2.837 2.810 2.845 0.045 7 0 "[ . 1 . 2]" 1
1109 1 80 ASN H 1 81 ASP H 0.000 . 5.500 2.296 2.164 2.376 . 0 0 "[ . 1 . 2]" 1
1110 1 80 ASN H 1 81 ASP HB2 0.000 . 5.500 5.442 5.244 5.563 0.063 4 0 "[ . 1 . 2]" 1
1111 1 80 ASN HA 1 80 ASN HB3 0.000 . 2.800 2.963 2.958 2.978 0.178 17 0 "[ . 1 . 2]" 1
1112 1 81 ASP H 1 81 ASP HB2 0.000 . 3.500 3.280 3.201 3.367 . 0 0 "[ . 1 . 2]" 1
1113 1 81 ASP H 1 81 ASP HB3 0.000 . 3.500 3.422 2.151 3.576 0.076 3 0 "[ . 1 . 2]" 1
1114 1 81 ASP H 1 82 ILE MG 0.000 . 5.800 4.364 4.044 4.653 . 0 0 "[ . 1 . 2]" 1
1115 1 81 ASP HA 1 81 ASP HB2 0.000 . 2.800 2.821 2.274 2.902 0.102 12 0 "[ . 1 . 2]" 1
1116 1 81 ASP HA 1 81 ASP HB3 0.000 . 2.800 2.295 2.224 2.889 0.089 17 0 "[ . 1 . 2]" 1
1117 1 81 ASP HB2 1 82 ILE H 0.000 . 3.500 3.401 2.987 3.640 0.140 20 0 "[ . 1 . 2]" 1
1118 1 81 ASP HB2 1 85 GLY QA 0.000 . 3.700 3.856 3.714 3.955 0.255 20 0 "[ . 1 . 2]" 1
1119 1 81 ASP HB3 1 82 ILE H 0.000 . 3.500 3.443 3.107 3.924 0.424 17 0 "[ . 1 . 2]" 1
1120 1 81 ASP HB3 1 82 ILE HA 0.000 . 5.500 5.252 5.060 5.359 . 0 0 "[ . 1 . 2]" 1
1121 1 82 ILE H 1 82 ILE MG 0.000 . 3.100 3.040 2.821 3.218 0.118 10 0 "[ . 1 . 2]" 1
1122 1 82 ILE H 1 83 LYS H 0.000 . 5.500 4.406 4.342 4.441 . 0 0 "[ . 1 . 2]" 1
1123 1 82 ILE HA 1 82 ILE HB 0.000 . 2.800 2.477 2.409 2.526 . 0 0 "[ . 1 . 2]" 1
1124 1 82 ILE HA 1 82 ILE MG 0.000 . 3.100 2.277 2.219 2.321 . 0 0 "[ . 1 . 2]" 1
1125 1 82 ILE HA 1 83 LYS H 0.000 . 2.800 2.514 2.483 2.574 . 0 0 "[ . 1 . 2]" 1
1126 1 82 ILE MG 1 83 LYS H 0.000 . 3.100 3.326 3.236 3.445 0.345 17 0 "[ . 1 . 2]" 1
1127 1 83 LYS H 1 83 LYS QG 0.000 . 4.400 2.708 2.369 3.110 . 0 0 "[ . 1 . 2]" 1
1128 1 83 LYS H 1 84 GLU H 0.000 . 5.500 3.964 3.689 4.513 . 0 0 "[ . 1 . 2]" 1
1129 1 83 LYS HA 1 83 LYS HB2 0.000 . 2.800 2.874 2.814 2.982 0.182 16 0 "[ . 1 . 2]" 1
1130 1 83 LYS HA 1 83 LYS QG 0.000 . 3.700 2.938 2.219 3.084 . 0 0 "[ . 1 . 2]" 1
1131 1 83 LYS HA 1 84 GLU H 0.000 . 5.500 2.164 2.058 2.522 . 0 0 "[ . 1 . 2]" 1
1132 1 83 LYS HB2 1 84 GLU H 0.000 . 3.500 3.678 3.506 3.909 0.409 17 0 "[ . 1 . 2]" 1
1133 1 83 LYS HB3 1 84 GLU H 0.000 . 5.500 3.437 2.226 3.944 . 0 0 "[ . 1 . 2]" 1
1134 1 84 GLU HA 1 85 GLY H 0.000 . 2.800 2.352 2.157 2.494 . 0 0 "[ . 1 . 2]" 1
1135 1 84 GLU HA 1 86 ASP H 0.000 . 3.500 4.000 3.679 4.243 0.743 17 11 "[- * .******* . + *2]" 1
1136 1 84 GLU HA 1 86 ASP HA 0.000 . 5.500 5.485 5.313 5.820 0.320 18 0 "[ . 1 . 2]" 1
1137 1 85 GLY H 1 86 ASP H 0.000 . 3.500 2.754 2.173 3.074 . 0 0 "[ . 1 . 2]" 1
1138 1 85 GLY QA 1 86 ASP H 0.000 . 6.400 2.557 2.439 2.780 . 0 0 "[ . 1 . 2]" 1
1139 1 86 ASP H 1 86 ASP HA 0.000 . 2.800 2.850 2.829 2.893 0.093 14 0 "[ . 1 . 2]" 1
1140 1 86 ASP H 1 87 VAL H 0.000 . 5.500 4.308 4.241 4.413 . 0 0 "[ . 1 . 2]" 1
1141 1 86 ASP HA 1 87 VAL H 0.000 . 2.800 2.941 2.706 3.038 0.238 20 0 "[ . 1 . 2]" 1
1142 1 86 ASP QB 1 87 VAL H 0.000 . 6.400 1.934 1.781 1.994 . 0 0 "[ . 1 . 2]" 1
1143 1 87 VAL H 1 87 VAL HB 0.000 . 2.800 2.473 2.359 2.544 . 0 0 "[ . 1 . 2]" 1
1144 1 87 VAL H 1 87 VAL MG1 0.000 . 3.800 3.779 3.716 3.802 0.002 5 0 "[ . 1 . 2]" 1
1145 1 87 VAL H 1 87 VAL MG2 0.000 . 3.100 2.505 2.321 2.798 . 0 0 "[ . 1 . 2]" 1
1146 1 87 VAL H 1 88 ILE H 0.000 . 5.500 4.540 4.465 4.573 . 0 0 "[ . 1 . 2]" 1
1147 1 87 VAL HA 1 87 VAL MG1 0.000 . 3.100 2.450 2.375 2.574 . 0 0 "[ . 1 . 2]" 1
1148 1 87 VAL HA 1 87 VAL MG2 0.000 . 3.100 2.272 2.184 2.364 . 0 0 "[ . 1 . 2]" 1
1149 1 87 VAL HA 1 88 ILE H 0.000 . 2.800 2.226 2.167 2.285 . 0 0 "[ . 1 . 2]" 1
1150 1 87 VAL HA 1 88 ILE HB 0.000 . 5.500 4.621 4.562 4.681 . 0 0 "[ . 1 . 2]" 1
1151 1 87 VAL HA 1 88 ILE QG 0.000 . 6.400 3.866 3.533 4.246 . 0 0 "[ . 1 . 2]" 1
1152 1 87 VAL HB 1 88 ILE H 0.000 . 5.500 4.048 3.727 4.227 . 0 0 "[ . 1 . 2]" 1
1153 1 87 VAL MG1 1 88 ILE H 0.000 . 3.100 2.402 2.045 2.665 . 0 0 "[ . 1 . 2]" 1
1154 1 87 VAL MG2 1 88 ILE H 0.000 . 3.800 3.918 3.846 3.971 0.171 9 0 "[ . 1 . 2]" 1
1155 1 88 ILE H 1 88 ILE HB 0.000 . 2.800 2.584 2.532 2.660 . 0 0 "[ . 1 . 2]" 1
1156 1 88 ILE H 1 88 ILE MG 0.000 . 3.800 3.832 3.809 3.862 0.062 16 0 "[ . 1 . 2]" 1
1157 1 88 ILE HA 1 88 ILE MG 0.000 . 3.100 2.359 2.311 2.411 . 0 0 "[ . 1 . 2]" 1
1158 1 88 ILE HA 1 89 GLU H 0.000 . 2.800 2.350 2.264 2.413 . 0 0 "[ . 1 . 2]" 1
1159 1 88 ILE HB 1 89 GLU H 0.000 . 3.500 3.747 3.697 3.803 0.303 18 0 "[ . 1 . 2]" 1
1160 1 88 ILE HB 1 90 ALA H 0.000 . 5.500 5.321 5.207 5.383 . 0 0 "[ . 1 . 2]" 1
1161 1 88 ILE QG 1 89 GLU H 0.000 . 6.400 3.984 3.931 4.045 . 0 0 "[ . 1 . 2]" 1
1162 1 88 ILE MG 1 89 GLU H 0.000 . 3.100 2.005 1.923 2.103 . 0 0 "[ . 1 . 2]" 1
1163 1 88 ILE MG 1 89 GLU QB 0.000 . 4.700 3.989 3.934 4.028 . 0 0 "[ . 1 . 2]" 1
1164 1 89 GLU H 1 90 ALA H 0.000 . 5.500 4.005 3.928 4.060 . 0 0 "[ . 1 . 2]" 1
1165 1 89 GLU HA 1 90 ALA H 0.000 . 2.800 2.103 2.086 2.112 . 0 0 "[ . 1 . 2]" 1
1166 1 89 GLU HA 1 90 ALA HA 0.000 . 5.500 4.380 4.372 4.388 . 0 0 "[ . 1 . 2]" 1
1167 1 89 GLU HA 1 90 ALA MB 0.000 . 5.000 3.957 3.934 3.982 . 0 0 "[ . 1 . 2]" 1
1168 1 89 GLU QB 1 90 ALA H 0.000 . 6.400 3.877 3.856 3.896 . 0 0 "[ . 1 . 2]" 1
1169 1 89 GLU QB 1 91 TYR QD 0.000 . 8.600 4.708 4.098 5.187 . 0 0 "[ . 1 . 2]" 1
1170 1 89 GLU QG 1 90 ALA H 0.000 . 6.400 3.038 2.952 3.226 . 0 0 "[ . 1 . 2]" 1
1171 1 90 ALA H 1 90 ALA MB 0.000 . 3.100 2.259 2.198 2.285 . 0 0 "[ . 1 . 2]" 1
1172 1 90 ALA H 1 91 TYR H 0.000 . 5.500 4.486 4.431 4.547 . 0 0 "[ . 1 . 2]" 1
1173 1 90 ALA HA 1 91 TYR H 0.000 . 2.800 2.161 2.117 2.199 . 0 0 "[ . 1 . 2]" 1
1174 1 90 ALA HA 1 91 TYR QB 0.000 . 6.400 4.295 4.206 4.423 . 0 0 "[ . 1 . 2]" 1
1175 1 90 ALA HA 1 91 TYR QD 0.000 . 5.700 3.349 2.925 4.214 . 0 0 "[ . 1 . 2]" 1
1176 1 90 ALA HA 1 91 TYR QE 0.000 . 7.700 4.887 4.493 5.223 . 0 0 "[ . 1 . 2]" 1
1177 1 90 ALA MB 1 91 TYR H 0.000 . 3.100 3.087 2.889 3.188 0.088 19 0 "[ . 1 . 2]" 1
1178 1 90 ALA MB 1 91 TYR HA 0.000 . 5.800 4.061 4.009 4.133 . 0 0 "[ . 1 . 2]" 1
1179 1 90 ALA MB 1 91 TYR QD 0.000 . 8.000 4.574 4.266 5.085 . 0 0 "[ . 1 . 2]" 1
1180 1 91 TYR H 1 91 TYR QD 0.000 . 5.000 2.282 1.951 3.203 . 0 0 "[ . 1 . 2]" 1
1181 1 91 TYR H 1 91 TYR QE 0.000 . 5.700 4.014 3.824 4.336 . 0 0 "[ . 1 . 2]" 1
1182 1 91 TYR H 1 92 VAL H 0.000 . 5.500 4.408 4.222 4.466 . 0 0 "[ . 1 . 2]" 1
1183 1 91 TYR HA 1 92 VAL H 0.000 . 2.800 2.243 2.153 2.464 . 0 0 "[ . 1 . 2]" 1
1184 1 91 TYR HA 1 92 VAL HA 0.000 . 5.500 4.486 4.402 4.603 . 0 0 "[ . 1 . 2]" 1
1185 1 91 TYR QB 1 92 VAL H 0.000 . 4.400 2.887 2.357 3.358 . 0 0 "[ . 1 . 2]" 1
1186 1 91 TYR QD 1 92 VAL H 0.000 . 5.700 3.963 3.181 4.529 . 0 0 "[ . 1 . 2]" 1
1187 1 91 TYR QD 1 92 VAL HA 0.000 . 7.700 3.733 2.802 4.390 . 0 0 "[ . 1 . 2]" 1
1188 1 91 TYR QD 1 93 MET HA 0.000 . 7.700 6.882 5.997 7.241 . 0 0 "[ . 1 . 2]" 1
1189 1 91 TYR QE 1 92 VAL HA 0.000 . 7.700 5.000 4.406 5.361 . 0 0 "[ . 1 . 2]" 1
1190 1 92 VAL HA 1 93 MET HA 0.000 . 5.500 4.375 4.339 4.432 . 0 0 "[ . 1 . 2]" 1
1191 1 92 VAL HA 1 93 MET QG 0.000 . 6.400 4.221 3.304 5.141 . 0 0 "[ . 1 . 2]" 1
1192 1 93 MET H 1 93 MET HB3 0.000 . 3.500 3.428 3.176 3.622 0.122 12 0 "[ . 1 . 2]" 1
1193 1 93 MET HA 1 93 MET HB2 0.000 . 2.800 2.897 2.830 2.998 0.198 7 0 "[ . 1 . 2]" 1
1194 1 93 MET HA 1 93 MET HB3 0.000 . 2.800 2.565 2.225 2.875 0.075 14 0 "[ . 1 . 2]" 1
1195 1 93 MET HA 1 94 GLN H 0.000 . 2.800 2.801 2.457 3.448 0.648 8 1 "[ . + 1 . 2]" 1
1196 1 93 MET HB2 1 94 GLN H 0.000 . 5.500 3.435 2.004 4.469 . 0 0 "[ . 1 . 2]" 1
1197 1 94 GLN H 1 95 GLU H 0.000 . 5.500 3.653 2.862 4.244 . 0 0 "[ . 1 . 2]" 1
1198 1 94 GLN HA 1 95 GLU H 0.000 . 2.800 2.704 2.329 3.048 0.248 11 0 "[ . 1 . 2]" 1
1199 1 94 GLN QB 1 95 GLU H 0.000 . 3.700 3.192 1.871 3.901 0.201 3 0 "[ . 1 . 2]" 1
1200 1 95 GLU H 1 96 VAL H 0.000 . 2.800 2.833 2.341 3.250 0.450 13 0 "[ . 1 . 2]" 1
1201 1 95 GLU HA 1 96 VAL H 0.000 . 2.800 2.698 2.317 3.439 0.639 6 2 "[ .+ 1 . - 2]" 1
1202 1 96 VAL HA 1 96 VAL HB 0.000 . 2.800 2.854 2.561 2.989 0.189 7 0 "[ . 1 . 2]" 1
1203 1 96 VAL HA 1 96 VAL MG1 0.000 . 3.100 2.098 1.956 2.281 . 0 0 "[ . 1 . 2]" 1
1204 1 96 VAL HA 1 96 VAL MG2 0.000 . 3.100 2.819 2.465 3.177 0.077 20 0 "[ . 1 . 2]" 1
1205 1 96 VAL HA 1 97 ALA H 0.000 . 2.800 2.450 2.145 2.909 0.109 18 0 "[ . 1 . 2]" 1
1206 1 96 VAL HB 1 97 ALA H 0.000 . 3.500 2.831 2.159 3.639 0.139 14 0 "[ . 1 . 2]" 1
1207 1 97 ALA H 1 97 ALA HA 0.000 . 2.800 2.392 2.275 2.777 . 0 0 "[ . 1 . 2]" 1
1208 1 97 ALA H 1 97 ALA MB 0.000 . 3.100 2.855 2.173 3.095 . 0 0 "[ . 1 . 2]" 1
1209 1 97 ALA H 1 99 ALA H 0.000 . 3.500 3.408 2.343 3.620 0.120 6 0 "[ . 1 . 2]" 1
1210 1 97 ALA MB 1 98 ARG H 0.000 . 3.100 2.128 1.960 2.446 . 0 0 "[ . 1 . 2]" 1
1211 1 98 ARG H 1 98 ARG HB2 0.000 . 3.500 2.132 2.061 3.247 . 0 0 "[ . 1 . 2]" 1
1212 1 98 ARG H 1 98 ARG HB3 0.000 . 2.800 3.107 3.089 3.416 0.616 8 1 "[ . + 1 . 2]" 1
1213 1 98 ARG H 1 99 ALA H 0.000 . 5.500 2.365 2.305 2.393 . 0 0 "[ . 1 . 2]" 1
1214 1 98 ARG HA 1 98 ARG HB2 0.000 . 2.800 2.799 2.795 2.827 0.027 8 0 "[ . 1 . 2]" 1
1215 1 98 ARG HA 1 98 ARG QG 0.000 . 3.500 2.256 2.075 3.114 . 0 0 "[ . 1 . 2]" 1
1216 1 98 ARG HA 1 99 ALA H 0.000 . 2.800 3.243 3.217 3.268 0.468 16 0 "[ . 1 . 2]" 1
1217 1 98 ARG HB2 1 99 ALA H 0.000 . 3.500 3.721 3.678 3.769 0.269 6 0 "[ . 1 . 2]" 1
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