NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451628 |
2rp3   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rp3
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 1960
_Distance_constraint_stats_list.Viol_count 5519
_Distance_constraint_stats_list.Viol_total 35854.031
_Distance_constraint_stats_list.Viol_max 3.913
_Distance_constraint_stats_list.Viol_rms 0.2220
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0457
_Distance_constraint_stats_list.Viol_average_violations_only 0.3248
_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 LEU 1.530 0.574 16 1 "[ . 1 .+ 2]"
1 2 GLY 6.464 0.358 18 0 "[ . 1 . 2]"
1 3 LYS 36.030 0.784 13 9 "[* *** *1 -+*. *]"
1 4 PHE 20.570 0.334 2 0 "[ . 1 . 2]"
1 5 SER 38.545 1.820 8 20 [*******+*****-******]
1 6 GLN 47.005 2.459 8 20 [******-+************]
1 7 THR 21.768 0.628 5 6 "[* +* *1 -* . 2]"
1 8 CYS 52.448 1.007 10 20 [*-*******+**********]
1 9 TYR 83.362 2.425 15 20 [**************+***-*]
1 10 ASN 13.981 0.439 7 0 "[ . 1 . 2]"
1 11 SER 5.390 0.405 18 0 "[ . 1 . 2]"
1 12 ALA 3.870 0.424 1 0 "[ . 1 . 2]"
1 13 ILE 14.013 0.650 2 11 "[*+ * * ** -** ** 2]"
1 14 GLN 19.529 0.650 2 11 "[-+ * * ** *** ** 2]"
1 15 GLY 14.371 0.640 12 3 "[ . - 1 + *. 2]"
1 16 SER 30.407 0.549 5 9 "[** + ** 1 * . **-]"
1 17 VAL 11.102 0.669 10 5 "[* *.- +* . 2]"
1 18 LEU 15.226 0.646 8 2 "[ - . + 1 . 2]"
1 19 THR 9.714 0.405 18 0 "[ . 1 . 2]"
1 20 SER 21.015 0.646 8 2 "[ - . + 1 . 2]"
1 21 THR 72.410 1.007 10 20 [*-*******+**********]
1 22 CYS 51.431 0.998 9 20 [******-*+***********]
1 23 GLU 342.448 3.913 8 20 [*****-*+************]
1 24 ARG 83.661 1.474 7 20 [******+*****-*******]
1 25 THR 2.548 0.200 1 0 "[ . 1 . 2]"
1 26 ASN 9.778 0.550 19 1 "[ . 1 . +2]"
1 27 GLY 182.814 3.913 8 20 [*-*****+************]
1 28 GLY 192.577 3.545 16 20 [*-*************+****]
1 29 TYR 225.559 2.425 15 20 [*****-********+*****]
1 30 ASN 32.407 0.644 19 4 "[ . -* 1 * . +2]"
1 31 THR 6.231 0.269 19 0 "[ . 1 . 2]"
1 32 SER 8.209 0.368 7 0 "[ . 1 . 2]"
1 33 SER 5.953 0.329 12 0 "[ . 1 . 2]"
1 34 ILE 9.851 0.669 10 5 "[* *.- +* . 2]"
1 35 ASP 4.169 0.364 10 0 "[ . 1 . 2]"
1 36 LEU 70.189 1.766 18 20 [*******-*********+**]
1 37 ASN 127.174 1.662 20 20 [*******************+]
1 38 SER 66.325 1.662 20 20 [*******-***********+]
1 39 VAL 18.493 0.430 16 0 "[ . 1 . 2]"
1 40 ILE 115.388 1.766 18 20 [*******-*********+**]
1 41 ALA 12.266 0.399 8 0 "[ . 1 . 2]"
1 42 ALA 27.549 0.817 3 20 [**+****************-]
1 43 VAL 48.018 2.193 15 19 "[**************+** *-]"
1 44 ASP 6.473 0.781 16 3 "[ * 1 - .+ 2]"
1 45 GLY 22.786 0.670 18 9 "[** *. * 1 * *- +*2]"
1 46 SER 26.815 1.928 15 17 "[***-**** *****+** *2]"
1 47 LEU 9.962 0.617 14 2 "[ . 1 +.- 2]"
1 48 LYS 81.427 2.193 15 18 "[***-**********+** *2]"
1 49 TRP 30.979 0.733 14 10 "[** ** 1 - +*** *2]"
1 50 GLN 3.580 0.357 6 0 "[ . 1 . 2]"
1 51 GLY 10.038 0.449 4 0 "[ . 1 . 2]"
1 52 SER 12.122 0.480 20 0 "[ . 1 . 2]"
1 53 ASN 43.599 0.906 5 20 [****+**-************]
1 54 PHE 101.631 1.537 13 20 [**-*********+*******]
1 55 ILE 33.523 1.066 5 20 [****+**-************]
1 56 GLU 41.073 1.066 5 20 [****+***************]
1 57 ALA 14.123 0.456 10 0 "[ . 1 . 2]"
1 58 CYS 52.199 1.434 14 20 [********-****+******]
1 59 ARG 63.223 1.037 4 20 [***+**********-*****]
1 60 ASN 22.552 1.037 4 19 [*-*+**********.*****]
1 61 THR 3.112 0.189 12 0 "[ . 1 . 2]"
1 62 GLN 1.737 0.178 10 0 "[ . 1 . 2]"
1 63 LEU 14.809 0.472 18 0 "[ . 1 . 2]"
1 64 ALA 2.245 0.107 7 0 "[ . 1 . 2]"
1 65 GLY 18.912 0.533 20 1 "[ . 1 . +]"
1 66 SER 62.838 2.459 8 20 [*******+***********-]
1 67 SER 24.837 0.568 10 3 "[ * . + . - 2]"
1 68 GLU 23.902 0.533 20 2 "[ -. 1 . +]"
1 69 LEU 26.956 0.613 4 3 "[ +. -*1 . 2]"
1 70 ALA 4.607 0.415 8 0 "[ . 1 . 2]"
1 71 ALA 70.249 2.804 10 20 [*********+********-*]
1 72 GLU 29.081 0.488 12 0 "[ . 1 . 2]"
1 73 CYS 16.013 0.479 16 0 "[ . 1 . 2]"
1 74 LYS 38.223 0.663 12 9 "[-* *. * *1 + . ***]"
1 75 THR 50.403 1.472 8 20 [*******+*******-****]
1 76 ALA 0.156 0.071 18 0 "[ . 1 . 2]"
1 77 ALA 0.529 0.201 6 0 "[ . 1 . 2]"
1 78 GLY 28.239 0.663 12 9 "[-* *. * *1 + . ***]"
1 79 GLN 6.767 0.412 17 0 "[ . 1 . 2]"
1 80 PHE 56.235 0.873 13 20 [************+*-*****]
1 81 VAL 30.866 1.472 8 20 [-******+************]
1 82 SER 5.971 0.370 19 0 "[ . 1 . 2]"
1 83 THR 7.003 0.454 12 0 "[ . 1 . 2]"
1 84 LYS 50.297 2.804 10 18 "[****** * +********-*]"
1 85 ILE 4.343 0.328 19 0 "[ . 1 . 2]"
1 86 ASN 8.333 0.515 4 1 "[ +. 1 . 2]"
1 87 LEU 23.467 0.580 4 2 "[ +. -1 . 2]"
1 88 ASP 13.801 0.568 10 3 "[ * . + . - 2]"
1 89 ASP 3.579 0.249 5 0 "[ . 1 . 2]"
1 90 HIS 17.415 0.545 1 1 "[+ . 1 . 2]"
1 91 ILE 23.299 0.602 12 2 "[- . 1 + . 2]"
1 92 ALA 2.888 0.213 3 0 "[ . 1 . 2]"
1 93 ASN 11.387 0.455 17 0 "[ . 1 . 2]"
1 94 ILE 6.432 1.234 7 5 "[* . + 1 * * * 2]"
1 95 ASP 4.798 0.612 2 5 "[ +-*. 1 .* * 2]"
1 96 GLY 3.014 0.265 8 0 "[ . 1 . 2]"
1 97 THR 7.489 0.612 2 5 "[ +-*. 1 .* * 2]"
1 98 LEU 11.655 0.416 18 0 "[ . 1 . 2]"
1 99 LYS 17.801 1.234 7 5 "[* . + 1 * * - 2]"
1 100 TYR 20.733 0.643 12 4 "[* . 1 + * - 2]"
1 101 GLU 9.870 0.574 16 1 "[ . 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 LEU HA 1 2 GLY H 2.700 . 2.700 2.313 2.206 2.612 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU HA 1 2 GLY QA 5.000 . 5.000 4.012 3.952 4.156 . 0 0 "[ . 1 . 2]" 1
3 1 1 LEU HA 1 92 ALA MB 5.400 . 5.400 3.679 3.360 4.094 . 0 0 "[ . 1 . 2]" 1
4 1 1 LEU HA 1 101 GLU QG 3.900 . 3.900 3.600 2.826 4.474 0.574 16 1 "[ . 1 .+ 2]" 1
5 1 1 LEU QB 1 2 GLY H 3.300 . 3.300 2.648 2.067 2.974 . 0 0 "[ . 1 . 2]" 1
6 1 1 LEU QB 1 2 GLY QA 4.700 . 4.700 3.532 3.382 3.615 . 0 0 "[ . 1 . 2]" 1
7 1 1 LEU QB 1 90 HIS HA 4.200 . 4.200 3.509 2.932 4.181 . 0 0 "[ . 1 . 2]" 1
8 1 1 LEU QB 1 101 GLU H 5.400 . 5.400 4.930 4.581 5.389 . 0 0 "[ . 1 . 2]" 1
9 1 1 LEU QD 1 2 GLY H 4.000 . 4.000 3.702 2.550 4.015 0.015 12 0 "[ . 1 . 2]" 1
10 1 1 LEU QD 1 101 GLU QB 4.200 . 4.200 2.268 2.058 2.926 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLY H 1 90 HIS HA 4.500 . 4.500 4.082 3.804 4.265 . 0 0 "[ . 1 . 2]" 1
12 1 2 GLY H 1 91 ILE HA 5.500 . 5.500 5.636 5.479 5.804 0.304 6 0 "[ . 1 . 2]" 1
13 1 2 GLY H 1 92 ALA HA 4.500 . 4.500 3.958 3.675 4.270 . 0 0 "[ . 1 . 2]" 1
14 1 2 GLY H 1 92 ALA MB 3.200 . 3.200 2.032 1.810 2.386 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLY H 1 93 ASN H 5.500 . 5.500 5.301 4.973 5.630 0.130 7 0 "[ . 1 . 2]" 1
16 1 2 GLY H 1 101 GLU H 4.700 . 4.700 4.863 4.605 5.058 0.358 18 0 "[ . 1 . 2]" 1
17 1 2 GLY H 1 101 GLU QB 4.500 . 4.500 2.841 2.364 3.516 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLY H 1 101 GLU QG 3.500 . 3.500 2.527 1.936 3.307 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLY QA 1 3 LYS H 3.100 . 3.100 2.043 2.020 2.064 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLY QA 1 3 LYS QB 5.500 . 5.500 3.886 3.693 4.109 . 0 0 "[ . 1 . 2]" 1
21 1 2 GLY QA 1 3 LYS QG 5.200 . 5.200 4.234 3.434 5.037 . 0 0 "[ . 1 . 2]" 1
22 1 2 GLY QA 1 88 ASP HA 5.200 . 5.200 3.669 3.360 4.014 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLY QA 1 90 HIS H 4.500 . 4.500 3.571 3.218 3.870 . 0 0 "[ . 1 . 2]" 1
24 1 2 GLY QA 1 91 ILE H . . 4.000 3.693 3.556 3.850 . 0 0 "[ . 1 . 2]" 1
25 1 2 GLY QA 1 92 ALA H 4.000 . 4.000 3.474 3.354 3.605 . 0 0 "[ . 1 . 2]" 1
26 1 2 GLY QA 1 92 ALA HA 3.600 . 3.600 2.761 2.510 3.072 . 0 0 "[ . 1 . 2]" 1
27 1 2 GLY QA 1 101 GLU QG 4.500 . 4.500 3.514 2.971 3.837 . 0 0 "[ . 1 . 2]" 1
28 1 3 LYS H 1 3 LYS HA 2.700 . 2.700 2.334 2.311 2.349 . 0 0 "[ . 1 . 2]" 1
29 1 3 LYS H 1 3 LYS QB 3.900 . 3.900 3.031 2.845 3.224 . 0 0 "[ . 1 . 2]" 1
30 1 3 LYS H 1 3 LYS HD2 4.300 . 4.300 3.889 1.975 5.046 0.746 5 3 "[ + -1 * . 2]" 1
31 1 3 LYS H 1 3 LYS HD3 4.300 . 4.300 3.054 1.867 4.065 . 0 0 "[ . 1 . 2]" 1
32 1 3 LYS H 1 3 LYS QG 4.000 . 4.000 2.937 2.230 3.737 . 0 0 "[ . 1 . 2]" 1
33 1 3 LYS H 1 4 PHE H 3.600 . 3.600 3.200 3.005 3.554 . 0 0 "[ . 1 . 2]" 1
34 1 3 LYS H 1 4 PHE HA 5.400 . 5.400 5.453 5.370 5.584 0.184 14 0 "[ . 1 . 2]" 1
35 1 3 LYS H 1 4 PHE QD 4.600 . 4.600 4.081 3.850 4.265 . 0 0 "[ . 1 . 2]" 1
36 1 3 LYS H 1 5 SER H 4.800 . 4.800 5.013 4.775 5.366 0.566 20 2 "[ . 1 -. +]" 1
37 1 3 LYS H 1 88 ASP H 5.200 . 5.200 5.287 4.998 5.574 0.374 19 0 "[ . 1 . 2]" 1
38 1 3 LYS H 1 88 ASP HA 3.100 . 3.100 2.813 2.482 3.118 0.018 19 0 "[ . 1 . 2]" 1
39 1 3 LYS H 1 88 ASP HB2 4.300 . 4.300 3.160 2.436 4.537 0.237 17 0 "[ . 1 . 2]" 1
40 1 3 LYS H 1 88 ASP QB 3.400 . 3.400 2.818 2.397 3.074 . 0 0 "[ . 1 . 2]" 1
41 1 3 LYS H 1 88 ASP HB3 4.300 . 4.300 3.911 2.833 4.539 0.239 19 0 "[ . 1 . 2]" 1
42 1 3 LYS H 1 89 ASP H 5.500 . 5.500 4.817 4.685 5.033 . 0 0 "[ . 1 . 2]" 1
43 1 3 LYS H 1 90 HIS H 5.000 . 5.000 4.558 4.225 4.879 . 0 0 "[ . 1 . 2]" 1
44 1 3 LYS H 1 91 ILE H 5.100 . 5.100 5.133 4.836 5.321 0.221 4 0 "[ . 1 . 2]" 1
45 1 3 LYS H 1 92 ALA HA 4.800 . 4.800 4.458 4.323 4.620 . 0 0 "[ . 1 . 2]" 1
46 1 3 LYS HA 1 3 LYS HD2 4.200 . 4.200 3.052 2.287 3.467 . 0 0 "[ . 1 . 2]" 1
47 1 3 LYS HA 1 3 LYS QD 3.500 . 3.500 2.310 2.126 2.519 . 0 0 "[ . 1 . 2]" 1
48 1 3 LYS HA 1 3 LYS HD3 4.200 . 4.200 2.637 2.292 3.605 . 0 0 "[ . 1 . 2]" 1
49 1 3 LYS HA 1 3 LYS QE 4.500 . 4.500 4.073 3.859 4.474 . 0 0 "[ . 1 . 2]" 1
50 1 3 LYS HA 1 4 PHE H 3.300 . 3.300 2.710 2.344 2.931 . 0 0 "[ . 1 . 2]" 1
51 1 3 LYS HA 1 5 SER H 3.500 . 3.500 3.375 3.232 3.529 0.029 20 0 "[ . 1 . 2]" 1
52 1 3 LYS HA 1 6 GLN H 4.200 . 4.200 3.722 3.625 3.861 . 0 0 "[ . 1 . 2]" 1
53 1 3 LYS HA 1 6 GLN QG 4.900 . 4.900 3.470 3.114 3.781 . 0 0 "[ . 1 . 2]" 1
54 1 3 LYS HA 1 7 THR H 5.500 . 5.500 5.966 5.805 6.128 0.628 5 6 "[* +* *1 -* . 2]" 1
55 1 3 LYS HA 1 88 ASP H 5.500 . 5.500 5.275 5.108 5.569 0.069 19 0 "[ . 1 . 2]" 1
56 1 3 LYS HA 1 88 ASP HA 3.800 . 3.800 3.127 2.910 3.390 . 0 0 "[ . 1 . 2]" 1
57 1 3 LYS HA 1 88 ASP QB 3.600 . 3.600 2.257 2.178 2.516 . 0 0 "[ . 1 . 2]" 1
58 1 3 LYS QB 1 4 PHE H 4.900 . 4.900 3.930 3.837 4.000 . 0 0 "[ . 1 . 2]" 1
59 1 3 LYS QB 1 5 SER H 5.500 . 5.500 4.627 4.405 4.957 . 0 0 "[ . 1 . 2]" 1
60 1 3 LYS QB 1 6 GLN H 4.900 . 4.900 3.482 3.293 3.870 . 0 0 "[ . 1 . 2]" 1
61 1 3 LYS QB 1 6 GLN QE 4.500 . 4.500 2.682 1.755 3.719 0.045 12 0 "[ . 1 . 2]" 1
62 1 3 LYS QB 1 7 THR H 5.500 . 5.500 5.084 4.966 5.238 . 0 0 "[ . 1 . 2]" 1
63 1 3 LYS QB 1 92 ALA HA 5.200 . 5.200 4.798 4.637 4.908 . 0 0 "[ . 1 . 2]" 1
64 1 3 LYS QB 1 93 ASN H 5.500 . 5.500 5.625 5.413 5.787 0.287 3 0 "[ . 1 . 2]" 1
65 1 3 LYS QD 1 4 PHE H 5.300 . 5.300 4.616 4.329 4.965 . 0 0 "[ . 1 . 2]" 1
66 1 3 LYS QD 1 5 SER H 5.300 . 5.300 5.055 4.552 5.542 0.242 11 0 "[ . 1 . 2]" 1
67 1 3 LYS QD 1 6 GLN H 5.300 . 5.300 4.787 3.959 5.620 0.320 11 0 "[ . 1 . 2]" 1
68 1 3 LYS QD 1 6 GLN QE 4.700 . 4.700 3.020 1.711 4.309 0.089 1 0 "[ . 1 . 2]" 1
69 1 3 LYS QD 1 88 ASP HA 4.900 . 4.900 4.118 3.608 4.608 . 0 0 "[ . 1 . 2]" 1
70 1 3 LYS QD 1 88 ASP QB 4.700 . 4.700 2.294 2.171 2.556 . 0 0 "[ . 1 . 2]" 1
71 1 3 LYS QE 1 6 GLN QE 3.400 . 3.400 3.466 2.586 4.184 0.784 13 2 "[ . - 1 + . 2]" 1
72 1 3 LYS QG 1 4 PHE H 5.400 . 5.400 4.673 4.366 4.884 . 0 0 "[ . 1 . 2]" 1
73 1 3 LYS QG 1 5 SER H 5.500 . 5.500 5.347 4.754 5.768 0.268 19 0 "[ . 1 . 2]" 1
74 1 3 LYS QG 1 6 GLN H 5.500 . 5.500 4.785 3.926 5.434 . 0 0 "[ . 1 . 2]" 1
75 1 3 LYS QG 1 6 GLN QE 3.800 . 3.800 2.585 2.004 4.533 0.733 13 1 "[ . 1 + . 2]" 1
76 1 4 PHE H 1 4 PHE HB3 3.100 . 3.100 2.529 2.415 2.817 . 0 0 "[ . 1 . 2]" 1
77 1 4 PHE H 1 4 PHE QD 3.000 . 3.000 1.769 1.719 1.797 0.081 10 0 "[ . 1 . 2]" 1
78 1 4 PHE H 1 4 PHE QE 4.500 . 4.500 3.989 3.739 4.121 . 0 0 "[ . 1 . 2]" 1
79 1 4 PHE H 1 5 SER H 3.300 . 3.300 2.463 2.061 2.668 . 0 0 "[ . 1 . 2]" 1
80 1 4 PHE H 1 6 GLN H 4.200 . 4.200 4.081 3.677 4.304 0.104 12 0 "[ . 1 . 2]" 1
81 1 4 PHE H 1 88 ASP H 5.400 . 5.400 5.473 5.283 5.660 0.260 18 0 "[ . 1 . 2]" 1
82 1 4 PHE H 1 88 ASP HA 3.500 . 3.500 2.886 2.753 3.074 . 0 0 "[ . 1 . 2]" 1
83 1 4 PHE H 1 91 ILE H 5.500 . 5.500 5.433 5.205 5.718 0.218 7 0 "[ . 1 . 2]" 1
84 1 4 PHE H 1 91 ILE HB 4.300 . 4.300 4.022 3.853 4.205 . 0 0 "[ . 1 . 2]" 1
85 1 4 PHE H 1 91 ILE MG 4.000 . 4.000 4.123 3.931 4.334 0.334 2 0 "[ . 1 . 2]" 1
86 1 4 PHE H 1 92 ALA HA 3.400 . 3.400 3.051 2.839 3.544 0.144 14 0 "[ . 1 . 2]" 1
87 1 4 PHE H 1 92 ALA MB 4.700 . 4.700 4.480 4.286 4.899 0.199 14 0 "[ . 1 . 2]" 1
88 1 4 PHE H 1 93 ASN H 5.100 . 5.100 4.894 4.687 5.195 0.095 20 0 "[ . 1 . 2]" 1
89 1 4 PHE H 1 98 LEU MD2 5.300 . 5.300 5.391 5.243 5.562 0.262 8 0 "[ . 1 . 2]" 1
90 1 4 PHE HA 1 6 GLN QG 5.500 . 5.500 5.294 4.952 5.585 0.085 4 0 "[ . 1 . 2]" 1
91 1 4 PHE HA 1 7 THR H 4.000 . 4.000 3.538 3.439 3.626 . 0 0 "[ . 1 . 2]" 1
92 1 4 PHE HA 1 7 THR MG 4.800 . 4.800 2.848 2.674 2.992 . 0 0 "[ . 1 . 2]" 1
93 1 4 PHE HA 1 8 CYS H 5.000 . 5.000 5.134 4.986 5.315 0.315 11 0 "[ . 1 . 2]" 1
94 1 4 PHE HA 1 92 ALA MB 5.300 . 5.300 4.210 4.013 4.321 . 0 0 "[ . 1 . 2]" 1
95 1 4 PHE HA 1 93 ASN H 3.300 . 3.300 3.100 2.884 3.344 0.044 6 0 "[ . 1 . 2]" 1
96 1 4 PHE HA 1 93 ASN HA 4.800 . 4.800 4.474 4.334 4.594 . 0 0 "[ . 1 . 2]" 1
97 1 4 PHE HA 1 93 ASN QB 3.500 . 3.500 2.559 2.487 2.727 . 0 0 "[ . 1 . 2]" 1
98 1 4 PHE HA 1 98 LEU MD2 4.500 . 4.500 4.619 4.498 4.711 0.211 16 0 "[ . 1 . 2]" 1
99 1 4 PHE HB2 1 5 SER H 4.300 . 4.300 3.958 3.853 4.024 . 0 0 "[ . 1 . 2]" 1
100 1 4 PHE HB2 1 91 ILE MG 4.100 . 4.100 3.368 3.156 3.521 . 0 0 "[ . 1 . 2]" 1
101 1 4 PHE HB3 1 91 ILE H 5.500 . 5.500 5.627 5.461 5.798 0.298 14 0 "[ . 1 . 2]" 1
102 1 4 PHE HB3 1 93 ASN H 4.300 . 4.300 3.639 3.318 3.818 . 0 0 "[ . 1 . 2]" 1
103 1 4 PHE QD 1 5 SER H 4.500 . 4.500 2.657 2.514 2.944 . 0 0 "[ . 1 . 2]" 1
104 1 4 PHE QD 1 88 ASP H 5.000 . 5.000 4.462 4.344 4.586 . 0 0 "[ . 1 . 2]" 1
105 1 4 PHE QE 1 5 SER H 4.100 . 4.100 3.596 3.451 3.707 . 0 0 "[ . 1 . 2]" 1
106 1 4 PHE QE 1 5 SER QB 4.600 . 4.600 3.483 3.320 4.053 . 0 0 "[ . 1 . 2]" 1
107 1 4 PHE QE 1 12 ALA H 5.500 . 5.500 5.447 5.248 5.552 0.052 14 0 "[ . 1 . 2]" 1
108 1 4 PHE QE 1 18 LEU QD 3.800 . 3.800 2.572 2.322 2.691 . 0 0 "[ . 1 . 2]" 1
109 1 4 PHE QE 1 67 SER HA 4.000 . 4.000 3.425 3.204 3.698 . 0 0 "[ . 1 . 2]" 1
110 1 4 PHE QE 1 67 SER HB2 4.500 . 4.500 2.408 2.318 2.907 . 0 0 "[ . 1 . 2]" 1
111 1 4 PHE QE 1 67 SER QB 3.900 . 3.900 2.388 2.304 2.872 . 0 0 "[ . 1 . 2]" 1
112 1 4 PHE QE 1 67 SER HB3 4.500 . 4.500 4.023 3.195 4.473 . 0 0 "[ . 1 . 2]" 1
113 1 4 PHE QE 1 87 LEU H 4.400 . 4.400 4.212 4.063 4.348 . 0 0 "[ . 1 . 2]" 1
114 1 4 PHE QE 1 87 LEU HB2 3.300 . 3.300 2.244 2.211 2.279 . 0 0 "[ . 1 . 2]" 1
115 1 4 PHE QE 1 87 LEU HB3 3.400 . 3.400 2.521 2.351 2.887 . 0 0 "[ . 1 . 2]" 1
116 1 4 PHE QE 1 87 LEU MD1 3.300 . 3.300 3.412 3.288 3.527 0.227 20 0 "[ . 1 . 2]" 1
117 1 4 PHE QE 1 88 ASP H 4.200 . 4.200 3.155 2.872 3.430 . 0 0 "[ . 1 . 2]" 1
118 1 4 PHE QE 1 88 ASP HA 3.900 . 3.900 3.037 2.741 3.374 . 0 0 "[ . 1 . 2]" 1
119 1 4 PHE QE 1 91 ILE HB 4.100 . 4.100 3.070 2.780 3.259 . 0 0 "[ . 1 . 2]" 1
120 1 4 PHE QE 1 91 ILE QG 4.600 . 4.600 3.927 3.604 4.154 . 0 0 "[ . 1 . 2]" 1
121 1 4 PHE HZ 1 5 SER H 5.200 . 5.200 4.705 4.551 4.826 . 0 0 "[ . 1 . 2]" 1
122 1 4 PHE HZ 1 5 SER QB 4.700 . 4.700 3.967 3.638 4.630 . 0 0 "[ . 1 . 2]" 1
123 1 4 PHE HZ 1 18 LEU QD 4.200 . 4.200 2.565 2.301 2.793 . 0 0 "[ . 1 . 2]" 1
124 1 4 PHE HZ 1 67 SER HA 3.600 . 3.600 2.714 2.378 3.051 . 0 0 "[ . 1 . 2]" 1
125 1 4 PHE HZ 1 87 LEU H 5.500 . 5.500 5.312 4.951 5.650 0.150 4 0 "[ . 1 . 2]" 1
126 1 4 PHE HZ 1 87 LEU HB2 4.400 . 4.400 3.062 2.754 3.408 . 0 0 "[ . 1 . 2]" 1
127 1 4 PHE HZ 1 87 LEU HB3 4.400 . 4.400 3.369 2.958 3.760 . 0 0 "[ . 1 . 2]" 1
128 1 4 PHE HZ 1 87 LEU MD1 3.500 . 3.500 2.700 2.417 2.890 . 0 0 "[ . 1 . 2]" 1
129 1 5 SER H 1 5 SER QB 2.500 . 2.500 2.202 2.090 2.474 . 0 0 "[ . 1 . 2]" 1
130 1 5 SER H 1 6 GLN H 2.900 . 2.900 2.775 2.692 2.825 . 0 0 "[ . 1 . 2]" 1
131 1 5 SER H 1 6 GLN QB 4.700 . 4.700 4.765 4.704 4.859 0.159 13 0 "[ . 1 . 2]" 1
132 1 5 SER H 1 6 GLN QG 4.900 . 4.900 4.399 4.080 4.664 . 0 0 "[ . 1 . 2]" 1
133 1 5 SER H 1 7 THR H 4.400 . 4.400 4.350 4.268 4.431 0.031 8 0 "[ . 1 . 2]" 1
134 1 5 SER H 1 7 THR MG 5.500 . 5.500 4.943 4.814 5.082 . 0 0 "[ . 1 . 2]" 1
135 1 5 SER H 1 8 CYS H 4.900 . 4.900 5.002 4.870 5.140 0.240 11 0 "[ . 1 . 2]" 1
136 1 5 SER H 1 66 SER QB 5.500 . 5.500 6.594 6.016 7.320 1.820 8 20 [*******+***********-] 1
137 1 5 SER H 1 67 SER HA 5.500 . 5.500 5.499 5.357 5.709 0.209 16 0 "[ . 1 . 2]" 1
138 1 5 SER H 1 88 ASP HA 4.300 . 4.300 3.959 3.774 4.166 . 0 0 "[ . 1 . 2]" 1
139 1 5 SER H 1 88 ASP QB 5.000 . 5.000 3.768 3.469 4.382 . 0 0 "[ . 1 . 2]" 1
140 1 5 SER H 1 91 ILE HB 5.500 . 5.500 5.242 5.045 5.378 . 0 0 "[ . 1 . 2]" 1
141 1 5 SER H 1 91 ILE MG 5.300 . 5.300 5.029 4.763 5.216 . 0 0 "[ . 1 . 2]" 1
142 1 5 SER H 1 92 ALA HA 5.200 . 5.200 5.195 5.050 5.301 0.101 6 0 "[ . 1 . 2]" 1
143 1 5 SER H 1 98 LEU MD2 5.500 . 5.500 5.405 5.227 5.526 0.026 8 0 "[ . 1 . 2]" 1
144 1 5 SER HA 1 5 SER QB 2.700 . 2.700 2.386 2.176 2.518 . 0 0 "[ . 1 . 2]" 1
145 1 5 SER HA 1 7 THR H 5.100 . 5.100 3.938 3.862 4.026 . 0 0 "[ . 1 . 2]" 1
146 1 5 SER HA 1 8 CYS H 4.600 . 4.600 3.126 2.988 3.233 . 0 0 "[ . 1 . 2]" 1
147 1 5 SER HA 1 8 CYS QB 4.100 . 4.100 2.291 2.250 2.322 . 0 0 "[ . 1 . 2]" 1
148 1 5 SER QB 1 6 GLN H 3.700 . 3.700 3.030 2.792 3.628 . 0 0 "[ . 1 . 2]" 1
149 1 5 SER QB 1 8 CYS QB 4.600 . 4.600 4.136 3.967 4.325 . 0 0 "[ . 1 . 2]" 1
150 1 5 SER QB 1 66 SER QB 3.800 . 3.800 3.961 3.150 4.770 0.970 3 2 "[ + . - 1 . 2]" 1
151 1 5 SER QB 1 67 SER H 5.000 . 5.000 4.665 4.394 4.818 . 0 0 "[ . 1 . 2]" 1
152 1 5 SER QB 1 67 SER HA 4.100 . 4.100 3.730 3.462 4.350 0.250 20 0 "[ . 1 . 2]" 1
153 1 5 SER QB 1 67 SER QB 3.100 . 3.100 2.082 2.042 2.253 . 0 0 "[ . 1 . 2]" 1
154 1 6 GLN H 1 6 GLN QB 2.700 . 2.700 2.354 2.272 2.442 . 0 0 "[ . 1 . 2]" 1
155 1 6 GLN H 1 6 GLN QG 2.900 . 2.900 2.373 2.139 2.625 . 0 0 "[ . 1 . 2]" 1
156 1 6 GLN H 1 7 THR H 2.800 . 2.800 2.632 2.562 2.692 . 0 0 "[ . 1 . 2]" 1
157 1 6 GLN H 1 7 THR HA 5.300 . 5.300 5.297 5.243 5.340 0.040 19 0 "[ . 1 . 2]" 1
158 1 6 GLN H 1 7 THR MG 4.100 . 4.100 3.767 3.653 3.862 . 0 0 "[ . 1 . 2]" 1
159 1 6 GLN H 1 8 CYS H 4.000 . 4.000 4.047 3.934 4.156 0.156 9 0 "[ . 1 . 2]" 1
160 1 6 GLN H 1 8 CYS QB 5.300 . 5.300 4.573 4.465 4.640 . 0 0 "[ . 1 . 2]" 1
161 1 6 GLN H 1 66 SER QB 5.500 . 5.500 7.168 6.646 7.959 2.459 8 20 [******-+************] 1
162 1 6 GLN HA 1 6 GLN QG 3.300 . 3.300 2.292 2.235 2.787 . 0 0 "[ . 1 . 2]" 1
163 1 6 GLN HA 1 7 THR HA 4.800 . 4.800 4.569 4.554 4.580 . 0 0 "[ . 1 . 2]" 1
164 1 6 GLN HA 1 7 THR MG 4.600 . 4.600 4.715 4.624 4.794 0.194 15 0 "[ . 1 . 2]" 1
165 1 6 GLN HA 1 8 CYS H 5.200 . 5.200 4.216 4.144 4.294 . 0 0 "[ . 1 . 2]" 1
166 1 6 GLN QB 1 7 THR H 3.600 . 3.600 2.813 2.741 2.895 . 0 0 "[ . 1 . 2]" 1
167 1 6 GLN HB2 1 7 THR H 4.200 . 4.200 2.907 2.820 3.010 . 0 0 "[ . 1 . 2]" 1
168 1 6 GLN HB2 1 7 THR MG 4.200 . 4.200 3.055 2.962 3.189 . 0 0 "[ . 1 . 2]" 1
169 1 6 GLN HB2 1 8 CYS H 5.500 . 5.500 5.061 4.963 5.162 . 0 0 "[ . 1 . 2]" 1
170 1 6 GLN HB3 1 7 THR H 4.200 . 4.200 3.749 3.642 3.856 . 0 0 "[ . 1 . 2]" 1
171 1 6 GLN HB3 1 7 THR MG 4.200 . 4.200 3.942 3.700 4.147 . 0 0 "[ . 1 . 2]" 1
172 1 6 GLN HB3 1 8 CYS H 5.500 . 5.500 5.495 5.399 5.586 0.086 13 0 "[ . 1 . 2]" 1
173 1 6 GLN QG 1 7 THR H 4.500 . 4.500 4.230 4.094 4.337 . 0 0 "[ . 1 . 2]" 1
174 1 6 GLN QG 1 8 CYS H 5.500 . 5.500 5.565 5.460 5.670 0.170 13 0 "[ . 1 . 2]" 1
175 1 7 THR H 1 7 THR MG 3.500 . 3.500 2.041 1.985 2.089 . 0 0 "[ . 1 . 2]" 1
176 1 7 THR H 1 8 CYS H 2.600 . 2.600 2.408 2.279 2.544 . 0 0 "[ . 1 . 2]" 1
177 1 7 THR H 1 8 CYS QB 4.600 . 4.600 3.757 3.693 3.815 . 0 0 "[ . 1 . 2]" 1
178 1 7 THR H 1 93 ASN QB 5.000 . 5.000 4.062 3.970 4.124 . 0 0 "[ . 1 . 2]" 1
179 1 7 THR H 1 93 ASN QD 5.200 . 5.200 4.873 4.750 5.064 . 0 0 "[ . 1 . 2]" 1
180 1 7 THR HA 1 8 CYS HA 5.500 . 5.500 4.421 4.386 4.460 . 0 0 "[ . 1 . 2]" 1
181 1 7 THR HB 1 22 CYS QB 5.500 . 5.500 5.638 5.407 5.861 0.361 2 0 "[ . 1 . 2]" 1
182 1 7 THR HB 1 23 GLU QB 5.200 . 5.200 4.586 4.238 4.968 . 0 0 "[ . 1 . 2]" 1
183 1 7 THR HB 1 93 ASN QD 3.500 . 3.500 3.847 3.708 3.955 0.455 17 0 "[ . 1 . 2]" 1
184 1 7 THR MG 1 8 CYS H 4.300 . 4.300 3.581 3.456 3.688 . 0 0 "[ . 1 . 2]" 1
185 1 7 THR MG 1 93 ASN QD 3.800 . 3.800 2.099 1.936 2.231 . 0 0 "[ . 1 . 2]" 1
186 1 8 CYS H 1 8 CYS QB . . 3.000 2.693 2.603 2.776 . 0 0 "[ . 1 . 2]" 1
187 1 8 CYS H 1 9 TYR H 4.700 . 4.700 4.323 4.228 4.404 . 0 0 "[ . 1 . 2]" 1
188 1 8 CYS H 1 22 CYS HA 4.600 . 4.600 4.944 4.807 5.028 0.428 16 0 "[ . 1 . 2]" 1
189 1 8 CYS H 1 22 CYS QB 5.400 . 5.400 5.193 4.976 5.430 0.030 20 0 "[ . 1 . 2]" 1
190 1 8 CYS H 1 23 GLU H 5.500 . 5.500 5.397 5.297 5.510 0.010 19 0 "[ . 1 . 2]" 1
191 1 8 CYS HA 1 9 TYR H 2.800 . 2.800 2.170 2.116 2.222 . 0 0 "[ . 1 . 2]" 1
192 1 8 CYS HA 1 9 TYR HA 5.500 . 5.500 4.439 4.415 4.462 . 0 0 "[ . 1 . 2]" 1
193 1 8 CYS HA 1 9 TYR QD 4.500 . 4.500 3.121 3.006 3.278 . 0 0 "[ . 1 . 2]" 1
194 1 8 CYS HA 1 21 THR H 4.900 . 4.900 5.393 5.123 5.624 0.724 15 9 "[ - . * **** *+* 2]" 1
195 1 8 CYS HA 1 21 THR MG 5.500 . 5.500 5.242 5.165 5.335 . 0 0 "[ . 1 . 2]" 1
196 1 8 CYS HA 1 22 CYS H 4.600 . 4.600 4.770 4.626 4.860 0.260 16 0 "[ . 1 . 2]" 1
197 1 8 CYS HA 1 22 CYS HA 2.900 . 2.900 2.252 2.229 2.278 . 0 0 "[ . 1 . 2]" 1
198 1 8 CYS HA 1 22 CYS QB 4.700 . 4.700 3.350 3.091 3.564 . 0 0 "[ . 1 . 2]" 1
199 1 8 CYS HA 1 23 GLU H 3.800 . 3.800 3.654 3.468 3.802 0.002 19 0 "[ . 1 . 2]" 1
200 1 8 CYS HA 1 23 GLU QB 5.500 . 5.500 5.613 5.376 5.839 0.339 19 0 "[ . 1 . 2]" 1
201 1 8 CYS QB 1 9 TYR H 3.100 . 3.100 2.954 2.829 3.170 0.070 13 0 "[ . 1 . 2]" 1
202 1 8 CYS QB 1 20 SER H 5.500 . 5.500 5.730 5.482 5.969 0.469 8 0 "[ . 1 . 2]" 1
203 1 8 CYS QB 1 21 THR H 3.900 . 3.900 4.765 4.632 4.907 1.007 10 20 [******-**+**********] 1
204 1 8 CYS QB 1 22 CYS HA 4.600 . 4.600 3.934 3.770 4.061 . 0 0 "[ . 1 . 2]" 1
205 1 8 CYS QB 1 98 LEU MD2 4.900 . 4.900 3.059 2.881 3.257 . 0 0 "[ . 1 . 2]" 1
206 1 9 TYR H 1 9 TYR QB 3.600 . 3.600 3.093 3.038 3.135 . 0 0 "[ . 1 . 2]" 1
207 1 9 TYR H 1 9 TYR QD 3.100 . 3.100 2.597 2.453 2.865 . 0 0 "[ . 1 . 2]" 1
208 1 9 TYR H 1 9 TYR QE 4.500 . 4.500 4.024 3.913 4.195 . 0 0 "[ . 1 . 2]" 1
209 1 9 TYR H 1 10 ASN H 4.500 . 4.500 4.428 4.414 4.452 . 0 0 "[ . 1 . 2]" 1
210 1 9 TYR H 1 11 SER H 5.400 . 5.400 5.160 4.959 5.337 . 0 0 "[ . 1 . 2]" 1
211 1 9 TYR H 1 20 SER HA 4.900 . 4.900 5.179 5.031 5.274 0.374 7 0 "[ . 1 . 2]" 1
212 1 9 TYR H 1 21 THR H 3.200 . 3.200 3.828 3.667 3.976 0.776 7 18 "[******+ ******** *-*]" 1
213 1 9 TYR H 1 21 THR HA 4.800 . 4.800 4.922 4.870 4.961 0.161 15 0 "[ . 1 . 2]" 1
214 1 9 TYR H 1 21 THR HB 3.500 . 3.500 3.737 3.602 3.846 0.346 12 0 "[ . 1 . 2]" 1
215 1 9 TYR H 1 21 THR MG 4.400 . 4.400 4.472 4.359 4.591 0.191 5 0 "[ . 1 . 2]" 1
216 1 9 TYR H 1 22 CYS HA 3.800 . 3.800 3.202 3.089 3.278 . 0 0 "[ . 1 . 2]" 1
217 1 9 TYR H 1 23 GLU H 5.500 . 5.500 5.022 4.834 5.209 . 0 0 "[ . 1 . 2]" 1
218 1 9 TYR H 1 29 TYR QE 5.300 . 5.300 7.354 6.804 7.725 2.425 15 20 [**-***********+*****] 1
219 1 9 TYR H 1 98 LEU MD2 5.500 . 5.500 5.413 5.218 5.759 0.259 7 0 "[ . 1 . 2]" 1
220 1 9 TYR HA 1 9 TYR QD 3.900 . 3.900 3.719 3.713 3.722 . 0 0 "[ . 1 . 2]" 1
221 1 9 TYR HA 1 10 ASN H 3.100 . 3.100 2.401 2.364 2.436 . 0 0 "[ . 1 . 2]" 1
222 1 9 TYR HA 1 11 SER H 4.000 . 4.000 3.536 3.323 3.706 . 0 0 "[ . 1 . 2]" 1
223 1 9 TYR QB 1 11 SER H 5.200 . 5.200 4.649 4.472 4.800 . 0 0 "[ . 1 . 2]" 1
224 1 9 TYR QB 1 21 THR H 5.500 . 5.500 5.391 5.222 5.571 0.071 15 0 "[ . 1 . 2]" 1
225 1 9 TYR QD 1 10 ASN H 3.400 . 3.400 3.287 3.231 3.365 . 0 0 "[ . 1 . 2]" 1
226 1 9 TYR QD 1 10 ASN HA 4.000 . 4.000 4.090 4.046 4.169 0.169 20 0 "[ . 1 . 2]" 1
227 1 9 TYR QD 1 10 ASN HB2 4.400 . 4.400 2.332 2.316 2.347 . 0 0 "[ . 1 . 2]" 1
228 1 9 TYR QD 1 10 ASN HB3 3.600 . 3.600 3.063 2.718 3.275 . 0 0 "[ . 1 . 2]" 1
229 1 9 TYR QD 1 21 THR H 5.000 . 5.000 4.696 4.583 4.789 . 0 0 "[ . 1 . 2]" 1
230 1 9 TYR QD 1 21 THR HB 3.800 . 3.800 3.390 3.302 3.496 . 0 0 "[ . 1 . 2]" 1
231 1 9 TYR QD 1 22 CYS HA 4.200 . 4.200 3.511 3.265 3.655 . 0 0 "[ . 1 . 2]" 1
232 1 9 TYR QE 1 10 ASN H 5.100 . 5.100 5.479 5.412 5.539 0.439 7 0 "[ . 1 . 2]" 1
233 1 9 TYR QE 1 10 ASN HB3 3.800 . 3.800 3.850 3.609 4.025 0.225 9 0 "[ . 1 . 2]" 1
234 1 9 TYR QE 1 10 ASN QD 4.100 . 4.100 4.133 3.929 4.394 0.294 9 0 "[ . 1 . 2]" 1
235 1 9 TYR QE 1 21 THR H 5.000 . 5.000 5.002 4.904 5.100 0.100 7 0 "[ . 1 . 2]" 1
236 1 9 TYR QE 1 21 THR HB 3.700 . 3.700 2.869 2.777 2.966 . 0 0 "[ . 1 . 2]" 1
237 1 9 TYR QE 1 21 THR MG 3.000 . 3.000 2.654 2.557 2.775 . 0 0 "[ . 1 . 2]" 1
238 1 9 TYR QE 1 23 GLU H 5.500 . 5.500 3.613 3.309 3.834 . 0 0 "[ . 1 . 2]" 1
239 1 9 TYR QE 1 29 TYR QB 4.600 . 4.600 4.158 3.845 4.307 . 0 0 "[ . 1 . 2]" 1
240 1 9 TYR QE 1 29 TYR QD 2.800 . 2.800 2.858 2.374 3.065 0.265 1 0 "[ . 1 . 2]" 1
241 1 10 ASN H 1 10 ASN HA 2.500 . 2.500 2.288 2.285 2.293 . 0 0 "[ . 1 . 2]" 1
242 1 10 ASN H 1 10 ASN HB2 3.100 . 3.100 3.173 3.146 3.198 0.098 16 0 "[ . 1 . 2]" 1
243 1 10 ASN H 1 10 ASN HB3 3.800 . 3.800 3.621 3.570 3.679 . 0 0 "[ . 1 . 2]" 1
244 1 10 ASN H 1 11 SER H 3.000 . 3.000 2.678 2.565 2.754 . 0 0 "[ . 1 . 2]" 1
245 1 10 ASN H 1 11 SER HA 5.500 . 5.500 5.150 5.088 5.180 . 0 0 "[ . 1 . 2]" 1
246 1 10 ASN H 1 11 SER QB 5.200 . 5.200 4.820 4.515 4.937 . 0 0 "[ . 1 . 2]" 1
247 1 10 ASN H 1 21 THR HB 5.500 . 5.500 5.332 5.212 5.496 . 0 0 "[ . 1 . 2]" 1
248 1 10 ASN HA 1 11 SER H 2.900 . 2.900 2.751 2.664 2.871 . 0 0 "[ . 1 . 2]" 1
249 1 10 ASN HB2 1 11 SER H 5.500 . 5.500 4.631 4.583 4.652 . 0 0 "[ . 1 . 2]" 1
250 1 10 ASN HB2 1 21 THR H 5.500 . 5.500 4.400 4.188 4.646 . 0 0 "[ . 1 . 2]" 1
251 1 10 ASN HB3 1 11 SER H 4.500 . 4.500 4.276 4.173 4.358 . 0 0 "[ . 1 . 2]" 1
252 1 10 ASN HB3 1 21 THR H 4.100 . 4.100 2.678 2.493 2.910 . 0 0 "[ . 1 . 2]" 1
253 1 10 ASN HB3 1 21 THR HB 3.700 . 3.700 2.774 2.609 2.898 . 0 0 "[ . 1 . 2]" 1
254 1 10 ASN HB3 1 21 THR MG 5.200 . 5.200 4.214 4.118 4.350 . 0 0 "[ . 1 . 2]" 1
255 1 10 ASN QD 1 21 THR HB 5.200 . 5.200 3.850 3.622 4.063 . 0 0 "[ . 1 . 2]" 1
256 1 10 ASN QD 1 21 THR MG 5.500 . 5.500 4.185 4.024 4.343 . 0 0 "[ . 1 . 2]" 1
257 1 11 SER H 1 11 SER QB 2.900 . 2.900 2.716 2.420 2.853 . 0 0 "[ . 1 . 2]" 1
258 1 11 SER H 1 12 ALA H 4.600 . 4.600 4.605 4.589 4.625 0.025 17 0 "[ . 1 . 2]" 1
259 1 11 SER H 1 12 ALA MB 5.200 . 5.200 4.998 4.843 5.056 . 0 0 "[ . 1 . 2]" 1
260 1 11 SER H 1 18 LEU QD 5.400 . 5.400 5.310 5.116 5.545 0.145 8 0 "[ . 1 . 2]" 1
261 1 11 SER H 1 63 LEU QD 4.100 . 4.100 3.494 3.253 3.807 . 0 0 "[ . 1 . 2]" 1
262 1 11 SER HA 1 12 ALA H 2.600 . 2.600 2.266 2.220 2.351 . 0 0 "[ . 1 . 2]" 1
263 1 11 SER HA 1 12 ALA MB 4.000 . 4.000 3.847 3.811 3.871 . 0 0 "[ . 1 . 2]" 1
264 1 11 SER HA 1 18 LEU QD 4.000 . 4.000 3.608 3.344 4.060 0.060 8 0 "[ . 1 . 2]" 1
265 1 11 SER HA 1 19 THR MG 4.900 . 4.900 4.645 4.532 4.731 . 0 0 "[ . 1 . 2]" 1
266 1 11 SER HA 1 20 SER HA 3.100 . 3.100 2.324 2.284 2.362 . 0 0 "[ . 1 . 2]" 1
267 1 11 SER HA 1 20 SER HB2 5.000 . 5.000 2.335 2.315 2.377 . 0 0 "[ . 1 . 2]" 1
268 1 11 SER HA 1 20 SER QB 4.200 . 4.200 2.276 2.098 2.321 . 0 0 "[ . 1 . 2]" 1
269 1 11 SER HA 1 20 SER HB3 5.000 . 5.000 3.537 2.344 3.805 . 0 0 "[ . 1 . 2]" 1
270 1 11 SER HA 1 21 THR H 4.300 . 4.300 3.949 3.837 4.032 . 0 0 "[ . 1 . 2]" 1
271 1 11 SER QB 1 12 ALA H 4.100 . 4.100 2.715 2.519 2.842 . 0 0 "[ . 1 . 2]" 1
272 1 11 SER QB 1 12 ALA MB 5.400 . 5.400 4.453 4.372 4.597 . 0 0 "[ . 1 . 2]" 1
273 1 11 SER QB 1 19 THR MG 5.500 . 5.500 5.707 5.641 5.905 0.405 18 0 "[ . 1 . 2]" 1
274 1 11 SER QB 1 21 THR H 5.200 . 5.200 4.930 4.685 5.537 0.337 2 0 "[ . 1 . 2]" 1
275 1 11 SER QB 1 63 LEU QB 5.300 . 5.300 4.016 3.587 4.646 . 0 0 "[ . 1 . 2]" 1
276 1 11 SER QB 1 63 LEU QD 3.400 . 3.400 2.224 1.883 2.781 . 0 0 "[ . 1 . 2]" 1
277 1 12 ALA H 1 12 ALA MB 3.000 . 3.000 2.712 2.672 2.775 . 0 0 "[ . 1 . 2]" 1
278 1 12 ALA H 1 13 ILE H 4.500 . 4.500 4.323 4.279 4.358 . 0 0 "[ . 1 . 2]" 1
279 1 12 ALA H 1 13 ILE HA 5.300 . 5.300 4.755 4.709 4.788 . 0 0 "[ . 1 . 2]" 1
280 1 12 ALA H 1 18 LEU HA 4.500 . 4.500 4.334 4.073 4.490 . 0 0 "[ . 1 . 2]" 1
281 1 12 ALA H 1 18 LEU QD 3.900 . 3.900 2.692 2.433 3.121 . 0 0 "[ . 1 . 2]" 1
282 1 12 ALA H 1 19 THR H 3.200 . 3.200 2.692 2.528 2.801 . 0 0 "[ . 1 . 2]" 1
283 1 12 ALA H 1 19 THR MG 4.900 . 4.900 4.469 4.302 4.684 . 0 0 "[ . 1 . 2]" 1
284 1 12 ALA H 1 20 SER H 5.300 . 5.300 4.920 4.815 5.053 . 0 0 "[ . 1 . 2]" 1
285 1 12 ALA H 1 20 SER HA 4.400 . 4.400 3.835 3.721 4.041 . 0 0 "[ . 1 . 2]" 1
286 1 12 ALA H 1 20 SER QB 3.600 . 3.600 3.344 3.261 3.429 . 0 0 "[ . 1 . 2]" 1
287 1 12 ALA H 1 63 LEU QB 5.500 . 5.500 4.382 3.975 4.695 . 0 0 "[ . 1 . 2]" 1
288 1 12 ALA H 1 63 LEU QD 3.300 . 3.300 3.466 3.076 3.724 0.424 1 0 "[ . 1 . 2]" 1
289 1 12 ALA HA 1 13 ILE H 2.400 . 2.400 2.264 2.233 2.314 . 0 0 "[ . 1 . 2]" 1
290 1 12 ALA HA 1 63 LEU QB 4.500 . 4.500 2.722 2.271 3.076 . 0 0 "[ . 1 . 2]" 1
291 1 12 ALA HA 1 63 LEU QD 4.000 . 4.000 3.025 2.678 3.288 . 0 0 "[ . 1 . 2]" 1
292 1 12 ALA MB 1 13 ILE H 4.200 . 4.200 2.659 2.523 2.760 . 0 0 "[ . 1 . 2]" 1
293 1 13 ILE H 1 13 ILE HB 2.900 . 2.900 2.780 2.705 2.921 0.021 20 0 "[ . 1 . 2]" 1
294 1 13 ILE H 1 13 ILE HG13 4.800 . 4.800 3.125 2.780 3.428 . 0 0 "[ . 1 . 2]" 1
295 1 13 ILE H 1 13 ILE MG 4.000 . 4.000 3.893 3.823 3.980 . 0 0 "[ . 1 . 2]" 1
296 1 13 ILE H 1 14 GLN QG 5.500 . 5.500 5.830 5.408 6.150 0.650 2 11 "[*+ * * ** -** ** 2]" 1
297 1 13 ILE H 1 18 LEU QD 4.700 . 4.700 4.655 4.325 4.830 0.130 18 0 "[ . 1 . 2]" 1
298 1 13 ILE H 1 62 GLN HA 4.200 . 4.200 3.590 3.238 3.804 . 0 0 "[ . 1 . 2]" 1
299 1 13 ILE H 1 62 GLN QB 5.300 . 5.300 4.476 4.058 4.857 . 0 0 "[ . 1 . 2]" 1
300 1 13 ILE H 1 63 LEU QB . . 4.100 3.052 2.826 3.299 . 0 0 "[ . 1 . 2]" 1
301 1 13 ILE H 1 63 LEU QD 3.800 . 3.800 4.057 3.759 4.272 0.472 18 0 "[ . 1 . 2]" 1
302 1 13 ILE HA 1 13 ILE MD 4.000 . 4.000 3.850 3.782 3.899 . 0 0 "[ . 1 . 2]" 1
303 1 13 ILE HA 1 13 ILE HG12 3.800 . 3.800 2.624 2.478 2.858 . 0 0 "[ . 1 . 2]" 1
304 1 13 ILE HA 1 13 ILE MG 3.400 . 3.400 2.393 2.299 2.479 . 0 0 "[ . 1 . 2]" 1
305 1 13 ILE HA 1 14 GLN HB2 4.500 . 4.500 4.224 4.124 4.343 . 0 0 "[ . 1 . 2]" 1
306 1 13 ILE HA 1 17 VAL H 4.500 . 4.500 4.268 4.039 4.495 . 0 0 "[ . 1 . 2]" 1
307 1 13 ILE HB 1 62 GLN HA 3.700 . 3.700 2.317 2.220 2.397 . 0 0 "[ . 1 . 2]" 1
308 1 13 ILE HB 1 63 LEU H 3.200 . 3.200 2.976 2.666 3.397 0.197 3 0 "[ . 1 . 2]" 1
309 1 13 ILE HB 1 63 LEU QB 4.400 . 4.400 3.216 2.783 3.556 . 0 0 "[ . 1 . 2]" 1
310 1 13 ILE MD 1 14 GLN H 5.400 . 5.400 5.047 4.895 5.141 . 0 0 "[ . 1 . 2]" 1
311 1 13 ILE MD 1 62 GLN H 4.700 . 4.700 4.108 3.722 4.362 . 0 0 "[ . 1 . 2]" 1
312 1 13 ILE MD 1 63 LEU H 3.900 . 3.900 3.633 3.391 3.838 . 0 0 "[ . 1 . 2]" 1
313 1 13 ILE HG12 1 14 GLN H 4.400 . 4.400 4.286 4.099 4.536 0.136 10 0 "[ . 1 . 2]" 1
314 1 13 ILE HG12 1 18 LEU H 5.500 . 5.500 4.647 4.287 5.286 . 0 0 "[ . 1 . 2]" 1
315 1 13 ILE HG12 1 18 LEU HA 4.200 . 4.200 2.386 2.273 2.842 . 0 0 "[ . 1 . 2]" 1
316 1 13 ILE HG13 1 18 LEU HA 5.000 . 5.000 3.209 2.340 4.187 . 0 0 "[ . 1 . 2]" 1
317 1 13 ILE HG13 1 63 LEU H 4.800 . 4.800 4.382 3.801 4.825 0.025 15 0 "[ . 1 . 2]" 1
318 1 13 ILE HG13 1 63 LEU HA 4.800 . 4.800 4.030 3.200 4.660 . 0 0 "[ . 1 . 2]" 1
319 1 13 ILE MG 1 14 GLN H 5.500 . 5.500 2.333 2.239 2.455 . 0 0 "[ . 1 . 2]" 1
320 1 13 ILE MG 1 14 GLN HA 5.500 . 5.500 3.344 3.222 3.605 . 0 0 "[ . 1 . 2]" 1
321 1 13 ILE MG 1 15 GLY H 3.900 . 3.900 3.148 3.022 3.356 . 0 0 "[ . 1 . 2]" 1
322 1 13 ILE MG 1 15 GLY HA2 5.500 . 5.500 4.813 4.631 4.995 . 0 0 "[ . 1 . 2]" 1
323 1 13 ILE MG 1 15 GLY HA3 5.200 . 5.200 4.966 4.837 5.079 . 0 0 "[ . 1 . 2]" 1
324 1 13 ILE MG 1 16 SER H 4.600 . 4.600 4.120 3.848 4.282 . 0 0 "[ . 1 . 2]" 1
325 1 13 ILE MG 1 17 VAL H 3.900 . 3.900 3.130 2.963 3.362 . 0 0 "[ . 1 . 2]" 1
326 1 13 ILE MG 1 18 LEU HA 5.100 . 5.100 3.511 2.892 3.869 . 0 0 "[ . 1 . 2]" 1
327 1 13 ILE MG 1 61 THR H 5.200 . 5.200 4.721 4.319 5.207 0.007 3 0 "[ . 1 . 2]" 1
328 1 13 ILE MG 1 61 THR HA 5.400 . 5.400 4.086 3.744 4.682 . 0 0 "[ . 1 . 2]" 1
329 1 13 ILE MG 1 61 THR HB 3.000 . 3.000 2.651 2.138 3.171 0.171 20 0 "[ . 1 . 2]" 1
330 1 13 ILE MG 1 62 GLN H 3.900 . 3.900 3.389 3.018 3.940 0.040 20 0 "[ . 1 . 2]" 1
331 1 13 ILE MG 1 62 GLN HA 5.500 . 5.500 2.921 2.334 3.606 . 0 0 "[ . 1 . 2]" 1
332 1 14 GLN H 1 14 GLN HB2 3.300 . 3.300 3.174 3.033 3.281 . 0 0 "[ . 1 . 2]" 1
333 1 14 GLN H 1 14 GLN HB3 3.400 . 3.400 3.134 3.105 3.173 . 0 0 "[ . 1 . 2]" 1
334 1 14 GLN H 1 14 GLN QE 5.300 . 5.300 4.761 4.445 5.052 . 0 0 "[ . 1 . 2]" 1
335 1 14 GLN H 1 14 GLN QG 4.700 . 4.700 4.365 4.341 4.406 . 0 0 "[ . 1 . 2]" 1
336 1 14 GLN H 1 15 GLY H 4.100 . 4.100 3.511 3.315 3.634 . 0 0 "[ . 1 . 2]" 1
337 1 14 GLN H 1 15 GLY HA3 5.500 . 5.500 4.777 4.666 4.872 . 0 0 "[ . 1 . 2]" 1
338 1 14 GLN H 1 16 SER H 4.500 . 4.500 3.916 3.662 4.106 . 0 0 "[ . 1 . 2]" 1
339 1 14 GLN H 1 17 VAL H 3.200 . 3.200 2.941 2.848 3.067 . 0 0 "[ . 1 . 2]" 1
340 1 14 GLN H 1 17 VAL HB 5.100 . 5.100 4.567 3.501 5.192 0.092 17 0 "[ . 1 . 2]" 1
341 1 14 GLN HA 1 14 GLN QG 3.900 . 3.900 2.605 2.447 2.746 . 0 0 "[ . 1 . 2]" 1
342 1 14 GLN HA 1 15 GLY H 2.400 . 2.400 2.151 2.070 2.212 . 0 0 "[ . 1 . 2]" 1
343 1 14 GLN HA 1 15 GLY HA2 4.600 . 4.600 4.310 4.275 4.350 . 0 0 "[ . 1 . 2]" 1
344 1 14 GLN HA 1 15 GLY HA3 4.600 . 4.600 4.376 4.359 4.397 . 0 0 "[ . 1 . 2]" 1
345 1 14 GLN HB2 1 15 GLY H 4.800 . 4.800 4.561 4.493 4.624 . 0 0 "[ . 1 . 2]" 1
346 1 14 GLN HB3 1 15 GLY H 4.300 . 4.300 4.328 4.285 4.372 0.072 13 0 "[ . 1 . 2]" 1
347 1 14 GLN HB3 1 15 GLY HA2 5.500 . 5.500 5.667 5.591 5.737 0.237 10 0 "[ . 1 . 2]" 1
348 1 14 GLN HB3 1 16 SER H 5.500 . 5.500 4.996 4.776 5.159 . 0 0 "[ . 1 . 2]" 1
349 1 14 GLN HB3 1 17 VAL H 5.100 . 5.100 4.951 4.647 5.182 0.082 13 0 "[ . 1 . 2]" 1
350 1 14 GLN QE 1 15 GLY H 3.300 . 3.300 2.760 2.346 3.216 . 0 0 "[ . 1 . 2]" 1
351 1 14 GLN QE 1 15 GLY HA2 4.500 . 4.500 3.597 3.000 4.119 . 0 0 "[ . 1 . 2]" 1
352 1 14 GLN QE 1 15 GLY HA3 4.400 . 4.400 4.008 3.293 4.607 0.207 5 0 "[ . 1 . 2]" 1
353 1 14 GLN QE 1 16 SER H 5.500 . 5.500 5.569 4.981 6.049 0.549 5 5 "[-* + * 1 . * 2]" 1
354 1 14 GLN QE 1 61 THR H 3.700 . 3.700 3.395 3.233 3.564 . 0 0 "[ . 1 . 2]" 1
355 1 14 GLN QE 1 61 THR HA 5.500 . 5.500 5.400 5.179 5.539 0.039 3 0 "[ . 1 . 2]" 1
356 1 14 GLN QG 1 15 GLY H 4.100 . 4.100 3.901 3.539 4.230 0.130 3 0 "[ . 1 . 2]" 1
357 1 14 GLN QG 1 15 GLY HA2 5.500 . 5.500 4.983 4.469 5.595 0.095 8 0 "[ . 1 . 2]" 1
358 1 14 GLN QG 1 15 GLY HA3 5.300 . 5.300 4.621 4.050 5.282 . 0 0 "[ . 1 . 2]" 1
359 1 15 GLY H 1 15 GLY HA2 2.700 . 2.700 2.398 2.366 2.442 . 0 0 "[ . 1 . 2]" 1
360 1 15 GLY H 1 15 GLY HA3 2.900 . 2.900 2.956 2.938 2.972 0.072 13 0 "[ . 1 . 2]" 1
361 1 15 GLY H 1 16 SER H 4.200 . 4.200 3.788 3.566 3.916 . 0 0 "[ . 1 . 2]" 1
362 1 15 GLY H 1 17 VAL H 4.800 . 4.800 4.321 4.184 4.409 . 0 0 "[ . 1 . 2]" 1
363 1 15 GLY H 1 55 ILE MD 4.900 . 4.900 4.449 4.323 4.646 . 0 0 "[ . 1 . 2]" 1
364 1 15 GLY H 1 61 THR HA 5.400 . 5.400 4.715 4.613 4.934 . 0 0 "[ . 1 . 2]" 1
365 1 15 GLY H 1 61 THR MG 4.500 . 4.500 3.308 2.836 3.844 . 0 0 "[ . 1 . 2]" 1
366 1 15 GLY H 1 69 LEU MD2 5.400 . 5.400 5.003 4.823 5.250 . 0 0 "[ . 1 . 2]" 1
367 1 15 GLY HA2 1 17 VAL QG 5.400 . 5.400 5.269 5.116 5.462 0.062 3 0 "[ . 1 . 2]" 1
368 1 15 GLY HA2 1 55 ILE HB 5.500 . 5.500 5.830 5.381 6.140 0.640 12 3 "[ . - 1 + *. 2]" 1
369 1 15 GLY HA2 1 55 ILE MD 4.100 . 4.100 2.616 2.441 2.889 . 0 0 "[ . 1 . 2]" 1
370 1 15 GLY HA2 1 61 THR H 5.500 . 5.500 3.591 3.333 4.091 . 0 0 "[ . 1 . 2]" 1
371 1 15 GLY HA2 1 61 THR MG 4.700 . 4.700 2.860 2.317 3.667 . 0 0 "[ . 1 . 2]" 1
372 1 15 GLY HA3 1 16 SER H 2.600 . 2.600 2.396 2.342 2.481 . 0 0 "[ . 1 . 2]" 1
373 1 15 GLY HA3 1 17 VAL H 4.200 . 4.200 4.029 3.858 4.251 0.051 16 0 "[ . 1 . 2]" 1
374 1 15 GLY HA3 1 17 VAL QG 4.500 . 4.500 4.084 3.927 4.193 . 0 0 "[ . 1 . 2]" 1
375 1 15 GLY HA3 1 55 ILE MD 4.100 . 4.100 3.224 2.812 3.543 . 0 0 "[ . 1 . 2]" 1
376 1 16 SER H 1 16 SER HB2 4.100 . 4.100 3.753 2.947 4.042 . 0 0 "[ . 1 . 2]" 1
377 1 16 SER H 1 16 SER QB 3.200 . 3.200 3.061 2.764 3.291 0.091 13 0 "[ . 1 . 2]" 1
378 1 16 SER H 1 16 SER HB3 4.100 . 4.100 3.314 3.100 3.501 . 0 0 "[ . 1 . 2]" 1
379 1 16 SER H 1 17 VAL H 2.600 . 2.600 1.879 1.550 2.104 0.250 12 0 "[ . 1 . 2]" 1
380 1 16 SER H 1 17 VAL HB 4.100 . 4.100 3.766 3.677 3.924 . 0 0 "[ . 1 . 2]" 1
381 1 16 SER H 1 17 VAL QG 3.200 . 3.200 2.691 2.433 2.946 . 0 0 "[ . 1 . 2]" 1
382 1 16 SER H 1 37 ASN QB 5.500 . 5.500 5.784 5.620 6.019 0.519 13 1 "[ . 1 + . 2]" 1
383 1 16 SER H 1 55 ILE MD 4.300 . 4.300 3.973 3.552 4.270 . 0 0 "[ . 1 . 2]" 1
384 1 16 SER H 1 55 ILE HG12 4.500 . 4.500 4.662 4.454 4.878 0.378 12 0 "[ . 1 . 2]" 1
385 1 16 SER HA 1 37 ASN H 4.400 . 4.400 4.737 4.494 4.921 0.521 8 1 "[ . + 1 . 2]" 1
386 1 16 SER HA 1 54 PHE QE 3.900 . 3.900 3.702 3.474 3.926 0.026 16 0 "[ . 1 . 2]" 1
387 1 16 SER HA 1 54 PHE HZ 3.200 . 3.200 2.693 2.408 3.255 0.055 16 0 "[ . 1 . 2]" 1
388 1 16 SER QB 1 17 VAL H 4.100 . 4.100 3.902 3.632 3.997 . 0 0 "[ . 1 . 2]" 1
389 1 16 SER QB 1 35 ASP HA 5.300 . 5.300 4.498 4.207 4.848 . 0 0 "[ . 1 . 2]" 1
390 1 16 SER QB 1 36 LEU H 3.800 . 3.800 3.850 3.735 3.956 0.156 7 0 "[ . 1 . 2]" 1
391 1 16 SER QB 1 36 LEU QB 4.700 . 4.700 3.751 3.300 4.298 . 0 0 "[ . 1 . 2]" 1
392 1 16 SER QB 1 37 ASN H 3.000 . 3.000 3.309 3.061 3.538 0.538 19 3 "[* . 1 . +-]" 1
393 1 16 SER QB 1 37 ASN HA 4.700 . 4.700 3.887 3.514 4.412 . 0 0 "[ . 1 . 2]" 1
394 1 16 SER QB 1 37 ASN QB . . 3.900 2.412 2.250 2.603 . 0 0 "[ . 1 . 2]" 1
395 1 16 SER QB 1 54 PHE QE 3.500 . 3.500 3.131 2.558 3.711 0.211 20 0 "[ . 1 . 2]" 1
396 1 16 SER QB 1 54 PHE HZ 3.900 . 3.900 3.256 2.765 3.694 . 0 0 "[ . 1 . 2]" 1
397 1 16 SER QB 1 55 ILE H 4.700 . 4.700 4.347 4.030 4.689 . 0 0 "[ . 1 . 2]" 1
398 1 16 SER QB 1 55 ILE HB 3.200 . 3.200 2.254 2.134 2.516 . 0 0 "[ . 1 . 2]" 1
399 1 16 SER QB 1 55 ILE MD 3.600 . 3.600 2.405 2.208 2.770 . 0 0 "[ . 1 . 2]" 1
400 1 16 SER QB 1 55 ILE HG12 4.400 . 4.400 2.319 2.291 2.356 . 0 0 "[ . 1 . 2]" 1
401 1 16 SER QB 1 55 ILE HG13 4.000 . 4.000 3.770 3.708 3.839 . 0 0 "[ . 1 . 2]" 1
402 1 16 SER QB 1 55 ILE MG 3.600 . 3.600 3.023 2.831 3.195 . 0 0 "[ . 1 . 2]" 1
403 1 16 SER HB2 1 17 VAL H 4.700 . 4.700 4.430 4.200 4.580 . 0 0 "[ . 1 . 2]" 1
404 1 16 SER HB2 1 55 ILE HB 3.800 . 3.800 2.730 2.370 3.298 . 0 0 "[ . 1 . 2]" 1
405 1 16 SER HB2 1 55 ILE MD 4.400 . 4.400 3.365 2.293 4.103 . 0 0 "[ . 1 . 2]" 1
406 1 16 SER HB2 1 55 ILE HG12 5.100 . 5.100 3.423 2.359 3.874 . 0 0 "[ . 1 . 2]" 1
407 1 16 SER HB2 1 55 ILE MG 4.200 . 4.200 3.483 3.236 3.705 . 0 0 "[ . 1 . 2]" 1
408 1 16 SER HB3 1 17 VAL H 4.700 . 4.700 4.339 3.974 4.559 . 0 0 "[ . 1 . 2]" 1
409 1 16 SER HB3 1 55 ILE HB 3.800 . 3.800 2.582 2.297 3.496 . 0 0 "[ . 1 . 2]" 1
410 1 16 SER HB3 1 55 ILE MD 4.400 . 4.400 2.803 2.232 3.971 . 0 0 "[ . 1 . 2]" 1
411 1 16 SER HB3 1 55 ILE HG12 5.100 . 5.100 2.675 2.317 3.767 . 0 0 "[ . 1 . 2]" 1
412 1 16 SER HB3 1 55 ILE MG 4.200 . 4.200 3.353 3.060 3.811 . 0 0 "[ . 1 . 2]" 1
413 1 17 VAL H 1 17 VAL HB 3.200 . 3.200 3.009 2.773 3.234 0.034 17 0 "[ . 1 . 2]" 1
414 1 17 VAL H 1 17 VAL QG 3.300 . 3.300 2.243 1.966 2.644 . 0 0 "[ . 1 . 2]" 1
415 1 17 VAL H 1 18 LEU H 4.500 . 4.500 4.296 4.180 4.406 . 0 0 "[ . 1 . 2]" 1
416 1 17 VAL H 1 35 ASP HA 5.000 . 5.000 4.816 4.718 4.960 . 0 0 "[ . 1 . 2]" 1
417 1 17 VAL H 1 36 LEU H 5.000 . 5.000 4.643 4.374 4.837 . 0 0 "[ . 1 . 2]" 1
418 1 17 VAL H 1 55 ILE MD 5.500 . 5.500 5.237 4.929 5.498 . 0 0 "[ . 1 . 2]" 1
419 1 17 VAL HA 1 18 LEU H 2.600 . 2.600 2.115 2.090 2.144 . 0 0 "[ . 1 . 2]" 1
420 1 17 VAL HA 1 18 LEU HB3 5.200 . 5.200 4.753 4.461 4.945 . 0 0 "[ . 1 . 2]" 1
421 1 17 VAL HA 1 35 ASP HA 3.900 . 3.900 2.335 2.269 2.511 . 0 0 "[ . 1 . 2]" 1
422 1 17 VAL HA 1 35 ASP QB 4.500 . 4.500 4.202 3.699 4.370 . 0 0 "[ . 1 . 2]" 1
423 1 17 VAL HA 1 36 LEU H 3.100 . 3.100 3.088 2.799 3.256 0.156 16 0 "[ . 1 . 2]" 1
424 1 17 VAL HB 1 18 LEU H 4.200 . 4.200 4.225 4.154 4.274 0.074 8 0 "[ . 1 . 2]" 1
425 1 17 VAL HB 1 34 ILE H 5.500 . 5.500 5.921 5.747 6.169 0.669 10 5 "[* *.- +* . 2]" 1
426 1 17 VAL QG 1 18 LEU H 3.400 . 3.400 2.676 2.594 2.783 . 0 0 "[ . 1 . 2]" 1
427 1 17 VAL QG 1 19 THR HA 4.800 . 4.800 4.055 3.925 4.239 . 0 0 "[ . 1 . 2]" 1
428 1 17 VAL QG 1 19 THR HB 5.200 . 5.200 4.087 3.726 4.488 . 0 0 "[ . 1 . 2]" 1
429 1 17 VAL QG 1 33 SER H 5.400 . 5.400 5.122 5.008 5.267 . 0 0 "[ . 1 . 2]" 1
430 1 17 VAL QG 1 33 SER QB 2.900 . 2.900 2.098 2.007 2.196 . 0 0 "[ . 1 . 2]" 1
431 1 17 VAL QG 1 34 ILE H 5.400 . 5.400 3.244 3.079 3.429 . 0 0 "[ . 1 . 2]" 1
432 1 18 LEU H 1 18 LEU HB2 3.100 . 3.100 2.647 2.520 2.941 . 0 0 "[ . 1 . 2]" 1
433 1 18 LEU H 1 18 LEU HB3 3.000 . 3.000 2.666 2.404 2.810 . 0 0 "[ . 1 . 2]" 1
434 1 18 LEU H 1 18 LEU QD 4.700 . 4.700 3.802 3.676 3.854 . 0 0 "[ . 1 . 2]" 1
435 1 18 LEU H 1 19 THR H 4.500 . 4.500 4.484 4.423 4.530 0.030 10 0 "[ . 1 . 2]" 1
436 1 18 LEU H 1 19 THR HA 4.900 . 4.900 5.059 4.987 5.139 0.239 10 0 "[ . 1 . 2]" 1
437 1 18 LEU H 1 33 SER HA 4.600 . 4.600 4.673 4.572 4.754 0.154 17 0 "[ . 1 . 2]" 1
438 1 18 LEU H 1 33 SER HB2 5.500 . 5.500 4.014 3.671 4.327 . 0 0 "[ . 1 . 2]" 1
439 1 18 LEU H 1 33 SER HB3 5.500 . 5.500 5.336 5.054 5.564 0.064 7 0 "[ . 1 . 2]" 1
440 1 18 LEU H 1 34 ILE H 3.100 . 3.100 2.928 2.820 3.091 . 0 0 "[ . 1 . 2]" 1
441 1 18 LEU H 1 34 ILE MG 5.100 . 5.100 3.279 3.087 3.491 . 0 0 "[ . 1 . 2]" 1
442 1 18 LEU H 1 35 ASP HA 3.900 . 3.900 3.395 3.173 3.575 . 0 0 "[ . 1 . 2]" 1
443 1 18 LEU H 1 35 ASP QB 5.300 . 5.300 5.231 4.913 5.446 0.146 5 0 "[ . 1 . 2]" 1
444 1 18 LEU H 1 36 LEU HG 3.700 . 3.700 3.213 2.896 3.433 . 0 0 "[ . 1 . 2]" 1
445 1 18 LEU HA 1 18 LEU QD 3.200 . 3.200 2.226 2.086 2.261 . 0 0 "[ . 1 . 2]" 1
446 1 18 LEU HA 1 19 THR HB 4.700 . 4.700 4.629 4.538 4.693 . 0 0 "[ . 1 . 2]" 1
447 1 18 LEU HA 1 34 ILE H 5.000 . 5.000 4.740 4.638 4.836 . 0 0 "[ . 1 . 2]" 1
448 1 18 LEU HA 1 36 LEU MD2 4.800 . 4.800 4.846 4.521 5.291 0.491 10 0 "[ . 1 . 2]" 1
449 1 18 LEU HB2 1 36 LEU H 5.500 . 5.500 4.483 4.166 4.893 . 0 0 "[ . 1 . 2]" 1
450 1 18 LEU HB2 1 36 LEU MD2 3.700 . 3.700 2.626 2.307 3.146 . 0 0 "[ . 1 . 2]" 1
451 1 18 LEU HB3 1 19 THR H 4.800 . 4.800 4.058 3.921 4.309 . 0 0 "[ . 1 . 2]" 1
452 1 18 LEU HB3 1 20 SER H 5.500 . 5.500 5.761 5.597 6.146 0.646 8 2 "[ - . + 1 . 2]" 1
453 1 18 LEU HB3 1 33 SER HA 5.400 . 5.400 4.377 4.141 4.665 . 0 0 "[ . 1 . 2]" 1
454 1 18 LEU HB3 1 34 ILE H 3.600 . 3.600 3.040 2.871 3.256 . 0 0 "[ . 1 . 2]" 1
455 1 18 LEU HB3 1 34 ILE MG 3.600 . 3.600 2.168 2.072 2.255 . 0 0 "[ . 1 . 2]" 1
456 1 18 LEU QD 1 19 THR HA 5.000 . 5.000 3.524 3.011 4.337 . 0 0 "[ . 1 . 2]" 1
457 1 18 LEU QD 1 19 THR HB 5.400 . 5.400 4.293 4.018 4.890 . 0 0 "[ . 1 . 2]" 1
458 1 18 LEU QD 1 20 SER H 4.700 . 4.700 3.901 3.360 4.718 0.018 8 0 "[ . 1 . 2]" 1
459 1 18 LEU QD 1 20 SER QB 3.900 . 3.900 2.670 2.360 3.212 . 0 0 "[ . 1 . 2]" 1
460 1 18 LEU QD 1 34 ILE H 5.100 . 5.100 3.977 3.709 4.128 . 0 0 "[ . 1 . 2]" 1
461 1 18 LEU MD1 1 20 SER H 5.500 . 5.500 5.335 3.389 5.598 0.098 19 0 "[ . 1 . 2]" 1
462 1 18 LEU MD1 1 20 SER HB2 5.500 . 5.500 4.144 2.500 5.583 0.083 18 0 "[ . 1 . 2]" 1
463 1 18 LEU MD1 1 20 SER HB3 5.500 . 5.500 4.565 3.146 4.904 . 0 0 "[ . 1 . 2]" 1
464 1 18 LEU MD2 1 20 SER H 5.500 . 5.500 4.196 3.633 5.522 0.022 7 0 "[ . 1 . 2]" 1
465 1 18 LEU MD2 1 20 SER HB2 5.500 . 5.500 3.213 2.432 5.069 . 0 0 "[ . 1 . 2]" 1
466 1 18 LEU MD2 1 20 SER HB3 5.500 . 5.500 3.710 2.546 5.106 . 0 0 "[ . 1 . 2]" 1
467 1 19 THR H 1 20 SER H 4.600 . 4.600 4.206 4.102 4.298 . 0 0 "[ . 1 . 2]" 1
468 1 19 THR H 1 98 LEU MD1 4.600 . 4.600 3.999 3.801 4.237 . 0 0 "[ . 1 . 2]" 1
469 1 19 THR HA 1 19 THR MG 3.000 . 3.000 2.325 2.296 2.391 . 0 0 "[ . 1 . 2]" 1
470 1 19 THR HA 1 20 SER H 2.400 . 2.400 2.195 2.177 2.222 . 0 0 "[ . 1 . 2]" 1
471 1 19 THR HA 1 33 SER H 5.000 . 5.000 4.872 4.754 4.962 . 0 0 "[ . 1 . 2]" 1
472 1 19 THR HA 1 33 SER HA 3.000 . 3.000 2.413 2.344 2.544 . 0 0 "[ . 1 . 2]" 1
473 1 19 THR HA 1 33 SER QB 4.000 . 4.000 2.748 2.351 3.107 . 0 0 "[ . 1 . 2]" 1
474 1 19 THR HA 1 34 ILE H 4.000 . 4.000 3.900 3.791 4.052 0.052 12 0 "[ . 1 . 2]" 1
475 1 19 THR HA 1 98 LEU MD1 3.600 . 3.600 2.734 2.451 2.968 . 0 0 "[ . 1 . 2]" 1
476 1 19 THR HB 1 20 SER H 4.300 . 4.300 4.210 4.132 4.329 0.029 17 0 "[ . 1 . 2]" 1
477 1 19 THR HB 1 33 SER HA 5.100 . 5.100 5.173 4.880 5.429 0.329 12 0 "[ . 1 . 2]" 1
478 1 19 THR HB 1 98 LEU MD1 5.500 . 5.500 5.044 4.793 5.245 . 0 0 "[ . 1 . 2]" 1
479 1 19 THR MG 1 20 SER H 2.900 . 2.900 2.684 2.610 2.796 . 0 0 "[ . 1 . 2]" 1
480 1 19 THR MG 1 20 SER HA 4.200 . 4.200 3.415 3.346 3.475 . 0 0 "[ . 1 . 2]" 1
481 1 19 THR MG 1 20 SER HB2 5.500 . 5.500 4.796 4.675 5.260 . 0 0 "[ . 1 . 2]" 1
482 1 19 THR MG 1 20 SER QB 4.600 . 4.600 4.347 4.321 4.391 . 0 0 "[ . 1 . 2]" 1
483 1 19 THR MG 1 20 SER HB3 5.500 . 5.500 5.018 4.635 5.166 . 0 0 "[ . 1 . 2]" 1
484 1 19 THR MG 1 33 SER H 4.900 . 4.900 4.702 4.462 4.946 0.046 17 0 "[ . 1 . 2]" 1
485 1 19 THR MG 1 33 SER HA 3.800 . 3.800 3.638 3.386 3.884 0.084 12 0 "[ . 1 . 2]" 1
486 1 20 SER H 1 20 SER HB2 4.100 . 4.100 3.346 3.136 4.003 . 0 0 "[ . 1 . 2]" 1
487 1 20 SER H 1 20 SER QB 3.300 . 3.300 2.838 2.765 3.065 . 0 0 "[ . 1 . 2]" 1
488 1 20 SER H 1 20 SER HB3 4.100 . 4.100 3.086 3.042 3.182 . 0 0 "[ . 1 . 2]" 1
489 1 20 SER H 1 21 THR HA 4.900 . 4.900 4.688 4.639 4.724 . 0 0 "[ . 1 . 2]" 1
490 1 20 SER H 1 32 SER H 3.800 . 3.800 3.934 3.772 4.043 0.243 2 0 "[ . 1 . 2]" 1
491 1 20 SER H 1 32 SER QB 5.300 . 5.300 5.088 4.806 5.469 0.169 17 0 "[ . 1 . 2]" 1
492 1 20 SER H 1 33 SER HA 3.900 . 3.900 3.695 3.462 3.852 . 0 0 "[ . 1 . 2]" 1
493 1 20 SER H 1 34 ILE H 5.500 . 5.500 5.472 5.222 5.580 0.080 18 0 "[ . 1 . 2]" 1
494 1 20 SER H 1 98 LEU MD1 3.000 . 3.000 2.123 1.869 2.371 . 0 0 "[ . 1 . 2]" 1
495 1 20 SER H 1 98 LEU HG 4.500 . 4.500 4.001 3.737 4.206 . 0 0 "[ . 1 . 2]" 1
496 1 20 SER HA 1 21 THR H 2.600 . 2.600 2.159 2.113 2.193 . 0 0 "[ . 1 . 2]" 1
497 1 20 SER HA 1 31 THR MG 4.600 . 4.600 3.624 3.356 3.840 . 0 0 "[ . 1 . 2]" 1
498 1 20 SER QB 1 21 THR H 4.000 . 4.000 3.464 2.936 3.644 . 0 0 "[ . 1 . 2]" 1
499 1 20 SER QB 1 98 LEU MD1 3.500 . 3.500 2.280 2.147 2.736 . 0 0 "[ . 1 . 2]" 1
500 1 20 SER QB 1 98 LEU MD2 4.600 . 4.600 2.490 2.263 3.480 . 0 0 "[ . 1 . 2]" 1
501 1 20 SER HB2 1 98 LEU MD1 4.300 . 4.300 2.988 2.723 3.816 . 0 0 "[ . 1 . 2]" 1
502 1 20 SER HB2 1 98 LEU HG 5.500 . 5.500 5.344 5.109 5.916 0.416 18 0 "[ . 1 . 2]" 1
503 1 20 SER HB3 1 98 LEU MD1 4.300 . 4.300 2.370 2.219 2.803 . 0 0 "[ . 1 . 2]" 1
504 1 20 SER HB3 1 98 LEU HG 5.500 . 5.500 4.176 3.902 5.230 . 0 0 "[ . 1 . 2]" 1
505 1 21 THR H 1 21 THR HB 2.700 . 2.700 2.614 2.573 2.661 . 0 0 "[ . 1 . 2]" 1
506 1 21 THR H 1 21 THR MG 3.900 . 3.900 3.781 3.763 3.803 . 0 0 "[ . 1 . 2]" 1
507 1 21 THR H 1 22 CYS H 4.500 . 4.500 4.476 4.448 4.497 . 0 0 "[ . 1 . 2]" 1
508 1 21 THR H 1 31 THR HA 4.500 . 4.500 4.536 4.453 4.613 0.113 17 0 "[ . 1 . 2]" 1
509 1 21 THR H 1 31 THR MG 4.000 . 4.000 3.391 3.083 3.696 . 0 0 "[ . 1 . 2]" 1
510 1 21 THR H 1 98 LEU MD1 5.500 . 5.500 5.023 4.801 5.177 . 0 0 "[ . 1 . 2]" 1
511 1 21 THR H 1 98 LEU MD2 5.500 . 5.500 5.496 5.262 5.708 0.208 14 0 "[ . 1 . 2]" 1
512 1 21 THR HA 1 22 CYS QB 4.900 . 4.900 4.415 4.369 4.467 . 0 0 "[ . 1 . 2]" 1
513 1 21 THR HA 1 30 ASN HD21 5.400 . 5.400 5.059 4.828 5.381 . 0 0 "[ . 1 . 2]" 1
514 1 21 THR HA 1 31 THR HA 3.100 . 3.100 2.261 2.231 2.307 . 0 0 "[ . 1 . 2]" 1
515 1 21 THR HB 1 22 CYS H 4.400 . 4.400 4.162 4.123 4.209 . 0 0 "[ . 1 . 2]" 1
516 1 21 THR MG 1 22 CYS H 3.200 . 3.200 2.768 2.672 2.848 . 0 0 "[ . 1 . 2]" 1
517 1 21 THR MG 1 22 CYS HA 5.200 . 5.200 3.853 3.763 3.927 . 0 0 "[ . 1 . 2]" 1
518 1 21 THR MG 1 29 TYR H 5.300 . 5.300 5.380 5.147 5.525 0.225 1 0 "[ . 1 . 2]" 1
519 1 21 THR MG 1 29 TYR HA 4.000 . 4.000 3.837 3.614 4.055 0.055 1 0 "[ . 1 . 2]" 1
520 1 21 THR MG 1 29 TYR QB 3.500 . 3.500 2.392 2.178 2.508 . 0 0 "[ . 1 . 2]" 1
521 1 21 THR MG 1 29 TYR QD 3.000 . 3.000 3.269 2.897 3.468 0.468 1 0 "[ . 1 . 2]" 1
522 1 21 THR MG 1 29 TYR QE 4.100 . 4.100 4.789 4.470 4.952 0.852 17 19 "[** -************+***]" 1
523 1 21 THR MG 1 30 ASN H 3.500 . 3.500 3.226 2.882 3.374 . 0 0 "[ . 1 . 2]" 1
524 1 21 THR MG 1 30 ASN HA 4.900 . 4.900 4.249 4.044 4.374 . 0 0 "[ . 1 . 2]" 1
525 1 21 THR MG 1 31 THR H 4.600 . 4.600 3.995 3.837 4.144 . 0 0 "[ . 1 . 2]" 1
526 1 21 THR MG 1 31 THR HA 4.600 . 4.600 3.437 3.182 3.610 . 0 0 "[ . 1 . 2]" 1
527 1 21 THR MG 1 32 SER H 5.400 . 5.400 5.209 4.953 5.418 0.018 1 0 "[ . 1 . 2]" 1
528 1 22 CYS H 1 22 CYS QB . . 3.100 2.622 2.567 2.690 . 0 0 "[ . 1 . 2]" 1
529 1 22 CYS H 1 23 GLU HA 5.300 . 5.300 5.028 4.940 5.102 . 0 0 "[ . 1 . 2]" 1
530 1 22 CYS H 1 29 TYR QB 4.800 . 4.800 4.537 4.358 4.670 . 0 0 "[ . 1 . 2]" 1
531 1 22 CYS H 1 29 TYR QD 4.200 . 4.200 5.004 4.710 5.198 0.998 9 20 [**-*****+***********] 1
532 1 22 CYS H 1 30 ASN H 3.200 . 3.200 3.112 2.913 3.219 0.019 17 0 "[ . 1 . 2]" 1
533 1 22 CYS H 1 30 ASN HB2 5.500 . 5.500 5.526 5.433 5.610 0.110 4 0 "[ . 1 . 2]" 1
534 1 22 CYS H 1 30 ASN HD21 5.500 . 5.500 4.106 3.936 4.377 . 0 0 "[ . 1 . 2]" 1
535 1 22 CYS H 1 30 ASN HD22 5.200 . 5.200 5.645 5.484 5.844 0.644 19 4 "[ . -* 1 * . +2]" 1
536 1 22 CYS H 1 31 THR HA 3.600 . 3.600 3.314 3.160 3.586 . 0 0 "[ . 1 . 2]" 1
537 1 22 CYS H 1 31 THR MG 5.000 . 5.000 4.567 4.271 4.895 . 0 0 "[ . 1 . 2]" 1
538 1 22 CYS H 1 32 SER H 4.300 . 4.300 4.286 4.153 4.376 0.076 15 0 "[ . 1 . 2]" 1
539 1 22 CYS H 1 98 LEU MD1 5.500 . 5.500 5.570 5.198 5.820 0.320 15 0 "[ . 1 . 2]" 1
540 1 22 CYS H 1 98 LEU MD2 5.500 . 5.500 5.033 4.867 5.472 . 0 0 "[ . 1 . 2]" 1
541 1 22 CYS HA 1 23 GLU H 2.600 . 2.600 2.231 2.182 2.304 . 0 0 "[ . 1 . 2]" 1
542 1 22 CYS HA 1 23 GLU QB 4.600 . 4.600 4.566 4.447 4.653 0.053 19 0 "[ . 1 . 2]" 1
543 1 22 CYS HA 1 29 TYR QD 4.400 . 4.400 4.800 4.490 5.025 0.625 9 5 "[ . * +* * - 2]" 1
544 1 22 CYS HA 1 93 ASN QD 4.700 . 4.700 4.058 3.962 4.179 . 0 0 "[ . 1 . 2]" 1
545 1 22 CYS QB 1 23 GLU H 4.000 . 4.000 2.671 2.532 2.797 . 0 0 "[ . 1 . 2]" 1
546 1 22 CYS QB 1 29 TYR QD 5.500 . 5.500 5.566 5.431 5.731 0.231 15 0 "[ . 1 . 2]" 1
547 1 22 CYS QB 1 30 ASN HD22 5.500 . 5.500 5.433 5.258 5.748 0.248 8 0 "[ . 1 . 2]" 1
548 1 22 CYS QB 1 93 ASN QB 4.900 . 4.900 3.494 3.317 3.615 . 0 0 "[ . 1 . 2]" 1
549 1 22 CYS QB 1 93 ASN QD . . 3.300 2.091 1.996 2.225 . 0 0 "[ . 1 . 2]" 1
550 1 22 CYS QB 1 96 GLY H 4.500 . 4.500 3.927 3.843 4.037 . 0 0 "[ . 1 . 2]" 1
551 1 22 CYS QB 1 96 GLY HA2 4.200 . 4.200 2.167 2.102 2.228 . 0 0 "[ . 1 . 2]" 1
552 1 22 CYS QB 1 96 GLY HA3 4.600 . 4.600 3.203 3.064 3.332 . 0 0 "[ . 1 . 2]" 1
553 1 22 CYS QB 1 97 THR H 4.800 . 4.800 4.008 3.706 4.311 . 0 0 "[ . 1 . 2]" 1
554 1 22 CYS QB 1 98 LEU MD2 5.500 . 5.500 3.558 3.458 4.127 . 0 0 "[ . 1 . 2]" 1
555 1 23 GLU H 1 23 GLU QB 2.900 . 2.900 2.547 2.408 2.623 . 0 0 "[ . 1 . 2]" 1
556 1 23 GLU H 1 23 GLU QG 4.800 . 4.800 1.989 1.817 2.268 . 0 0 "[ . 1 . 2]" 1
557 1 23 GLU H 1 29 TYR QD 3.800 . 3.800 4.307 4.106 4.454 0.654 20 12 "[*** .- *1** **** +]" 1
558 1 23 GLU H 1 29 TYR QE 3.900 . 3.900 5.164 4.934 5.402 1.502 15 20 [************-*+*****] 1
559 1 23 GLU H 1 30 ASN H 4.900 . 4.900 5.127 5.013 5.297 0.397 8 0 "[ . 1 . 2]" 1
560 1 23 GLU H 1 93 ASN QD 3.700 . 3.700 3.205 3.033 3.401 . 0 0 "[ . 1 . 2]" 1
561 1 23 GLU HA 1 23 GLU QG . . 3.600 2.492 2.432 2.543 . 0 0 "[ . 1 . 2]" 1
562 1 23 GLU HA 1 24 ARG H 2.500 . 2.500 2.138 2.106 2.193 . 0 0 "[ . 1 . 2]" 1
563 1 23 GLU HA 1 24 ARG HB2 5.000 . 5.000 4.635 4.581 4.683 . 0 0 "[ . 1 . 2]" 1
564 1 23 GLU HA 1 29 TYR HA 3.300 . 3.300 2.757 2.476 3.001 . 0 0 "[ . 1 . 2]" 1
565 1 23 GLU HA 1 29 TYR QB 4.800 . 4.800 4.272 4.071 4.589 . 0 0 "[ . 1 . 2]" 1
566 1 23 GLU HA 1 29 TYR QD 3.500 . 3.500 2.452 2.353 2.792 . 0 0 "[ . 1 . 2]" 1
567 1 23 GLU HA 1 29 TYR QE 3.800 . 3.800 3.665 3.559 3.886 0.086 4 0 "[ . 1 . 2]" 1
568 1 23 GLU HA 1 30 ASN H 3.600 . 3.600 3.851 3.682 4.081 0.481 3 0 "[ . 1 . 2]" 1
569 1 23 GLU QB 1 24 ARG H 4.000 . 4.000 3.327 3.203 3.519 . 0 0 "[ . 1 . 2]" 1
570 1 23 GLU QB 1 28 GLY H 5.400 . 5.400 7.264 6.956 7.480 2.080 16 20 [************-**+****] 1
571 1 23 GLU QB 1 29 TYR HA 4.800 . 4.800 4.642 4.337 4.970 0.170 3 0 "[ . 1 . 2]" 1
572 1 23 GLU QB 1 29 TYR QD 4.500 . 4.500 3.926 3.714 4.433 . 0 0 "[ . 1 . 2]" 1
573 1 23 GLU QB 1 93 ASN QD 4.400 . 4.400 3.719 3.433 3.979 . 0 0 "[ . 1 . 2]" 1
574 1 23 GLU QG 1 24 ARG H 3.500 . 3.500 4.334 4.216 4.406 0.906 19 20 [**-***************+*] 1
575 1 23 GLU QG 1 27 GLY H 5.400 . 5.400 9.189 9.017 9.313 3.913 8 20 [*-*****+************] 1
576 1 23 GLU QG 1 27 GLY QA 4.800 . 4.800 8.519 8.371 8.618 3.818 5 20 [**-*+***************] 1
577 1 23 GLU QG 1 28 GLY H 4.800 . 4.800 8.192 8.011 8.345 3.545 16 20 [**-************+****] 1
578 1 23 GLU QG 1 29 TYR H 5.500 . 5.500 6.620 6.420 6.804 1.304 16 20 [***************+**-*] 1
579 1 23 GLU QG 1 29 TYR HA 4.800 . 4.800 4.494 4.244 4.688 . 0 0 "[ . 1 . 2]" 1
580 1 23 GLU QG 1 29 TYR QD 5.500 . 5.500 2.815 2.546 3.198 . 0 0 "[ . 1 . 2]" 1
581 1 23 GLU QG 1 29 TYR QE . . 4.300 2.332 2.284 2.357 . 0 0 "[ . 1 . 2]" 1
582 1 23 GLU QG 1 93 ASN QD 5.500 . 5.500 4.508 4.244 4.789 . 0 0 "[ . 1 . 2]" 1
583 1 24 ARG H 1 24 ARG HB2 2.900 . 2.900 2.546 2.500 2.585 . 0 0 "[ . 1 . 2]" 1
584 1 24 ARG H 1 24 ARG QD 4.300 . 4.300 4.114 3.983 4.203 . 0 0 "[ . 1 . 2]" 1
585 1 24 ARG H 1 24 ARG HE 5.300 . 5.300 5.170 5.020 5.277 . 0 0 "[ . 1 . 2]" 1
586 1 24 ARG H 1 24 ARG QG 3.100 . 3.100 2.290 2.147 2.384 . 0 0 "[ . 1 . 2]" 1
587 1 24 ARG H 1 25 THR H 4.700 . 4.700 4.635 4.619 4.653 . 0 0 "[ . 1 . 2]" 1
588 1 24 ARG H 1 27 GLY H 4.700 . 4.700 5.661 5.429 5.828 1.128 20 20 [************-******+] 1
589 1 24 ARG H 1 27 GLY QA 5.500 . 5.500 5.493 5.354 5.588 0.088 20 0 "[ . 1 . 2]" 1
590 1 24 ARG H 1 28 GLY H 3.900 . 3.900 4.955 4.605 5.094 1.194 20 20 [************-******+] 1
591 1 24 ARG H 1 28 GLY QA 4.400 . 4.400 4.025 3.945 4.109 . 0 0 "[ . 1 . 2]" 1
592 1 24 ARG H 1 29 TYR HA 3.200 . 3.200 2.639 2.465 2.827 . 0 0 "[ . 1 . 2]" 1
593 1 24 ARG H 1 29 TYR QB 5.500 . 5.500 4.686 4.519 4.870 . 0 0 "[ . 1 . 2]" 1
594 1 24 ARG H 1 29 TYR QD 4.500 . 4.500 3.857 3.723 4.291 . 0 0 "[ . 1 . 2]" 1
595 1 24 ARG H 1 30 ASN H 4.200 . 4.200 3.690 3.510 3.911 . 0 0 "[ . 1 . 2]" 1
596 1 24 ARG H 1 30 ASN HB3 5.400 . 5.400 4.571 4.302 4.695 . 0 0 "[ . 1 . 2]" 1
597 1 24 ARG H 1 96 GLY HA2 5.500 . 5.500 4.496 4.297 4.684 . 0 0 "[ . 1 . 2]" 1
598 1 24 ARG HA 1 24 ARG HE 4.900 . 4.900 3.718 3.615 3.866 . 0 0 "[ . 1 . 2]" 1
599 1 24 ARG HA 1 24 ARG QG . . 3.600 2.342 2.319 2.386 . 0 0 "[ . 1 . 2]" 1
600 1 24 ARG HA 1 25 THR H 2.800 . 2.800 2.338 2.273 2.437 . 0 0 "[ . 1 . 2]" 1
601 1 24 ARG HB2 1 24 ARG QD 3.800 . 3.800 2.631 2.543 2.715 . 0 0 "[ . 1 . 2]" 1
602 1 24 ARG HB2 1 24 ARG HE 5.300 . 5.300 4.255 4.106 4.401 . 0 0 "[ . 1 . 2]" 1
603 1 24 ARG HB2 1 25 THR H 4.000 . 4.000 3.686 3.487 3.838 . 0 0 "[ . 1 . 2]" 1
604 1 24 ARG HB2 1 26 ASN H 3.700 . 3.700 3.685 3.466 3.780 0.080 16 0 "[ . 1 . 2]" 1
605 1 24 ARG HB2 1 27 GLY H 3.600 . 3.600 3.175 2.953 3.322 . 0 0 "[ . 1 . 2]" 1
606 1 24 ARG HB2 1 28 GLY H 4.000 . 4.000 3.245 2.940 3.477 . 0 0 "[ . 1 . 2]" 1
607 1 24 ARG HB2 1 29 TYR H 5.200 . 5.200 4.708 4.588 4.811 . 0 0 "[ . 1 . 2]" 1
608 1 24 ARG HB3 1 24 ARG QD 3.800 . 3.800 2.346 2.286 2.461 . 0 0 "[ . 1 . 2]" 1
609 1 24 ARG HB3 1 24 ARG HE 3.900 . 3.900 3.089 2.865 3.319 . 0 0 "[ . 1 . 2]" 1
610 1 24 ARG HB3 1 25 THR H 3.100 . 3.100 2.538 2.301 2.716 . 0 0 "[ . 1 . 2]" 1
611 1 24 ARG HB3 1 25 THR HB 5.000 . 5.000 4.774 4.607 4.842 . 0 0 "[ . 1 . 2]" 1
612 1 24 ARG HB3 1 26 ASN H 3.400 . 3.400 2.609 2.485 2.697 . 0 0 "[ . 1 . 2]" 1
613 1 24 ARG HB3 1 27 GLY H 3.800 . 3.800 2.484 2.340 2.664 . 0 0 "[ . 1 . 2]" 1
614 1 24 ARG HB3 1 28 GLY H 5.500 . 5.500 4.241 3.945 4.655 . 0 0 "[ . 1 . 2]" 1
615 1 24 ARG HB3 1 28 GLY QA 5.500 . 5.500 4.882 4.796 5.062 . 0 0 "[ . 1 . 2]" 1
616 1 24 ARG QD 1 25 THR H 5.200 . 5.200 4.661 4.393 4.829 . 0 0 "[ . 1 . 2]" 1
617 1 24 ARG QD 1 26 ASN H 4.800 . 4.800 4.329 4.133 4.509 . 0 0 "[ . 1 . 2]" 1
618 1 24 ARG QD 1 27 GLY H 5.200 . 5.200 2.866 2.708 3.041 . 0 0 "[ . 1 . 2]" 1
619 1 24 ARG QD 1 28 GLY H 5.500 . 5.500 2.681 2.405 3.289 . 0 0 "[ . 1 . 2]" 1
620 1 24 ARG QD 1 29 TYR H 4.200 . 4.200 4.017 3.737 4.392 0.192 19 0 "[ . 1 . 2]" 1
621 1 24 ARG HE 1 25 THR H 5.100 . 5.100 4.548 4.365 4.811 . 0 0 "[ . 1 . 2]" 1
622 1 24 ARG HE 1 26 ASN H 5.500 . 5.500 5.069 4.859 5.371 . 0 0 "[ . 1 . 2]" 1
623 1 24 ARG HE 1 29 TYR H 5.500 . 5.500 6.778 6.525 6.974 1.474 7 20 [-*****+*************] 1
624 1 24 ARG HE 1 30 ASN HB2 5.400 . 5.400 2.608 2.333 2.807 . 0 0 "[ . 1 . 2]" 1
625 1 24 ARG HE 1 30 ASN HB3 5.500 . 5.500 3.217 2.935 3.539 . 0 0 "[ . 1 . 2]" 1
626 1 24 ARG QG 1 25 THR H 4.800 . 4.800 3.974 3.913 4.029 . 0 0 "[ . 1 . 2]" 1
627 1 24 ARG QG 1 26 ASN H 5.500 . 5.500 4.727 4.657 4.811 . 0 0 "[ . 1 . 2]" 1
628 1 24 ARG QG 1 27 GLY H 5.300 . 5.300 4.344 4.229 4.468 . 0 0 "[ . 1 . 2]" 1
629 1 24 ARG QG 1 28 GLY H 5.500 . 5.500 3.573 3.107 3.760 . 0 0 "[ . 1 . 2]" 1
630 1 24 ARG QG 1 29 TYR H 4.900 . 4.900 3.639 3.567 3.728 . 0 0 "[ . 1 . 2]" 1
631 1 24 ARG QG 1 29 TYR HA 3.800 . 3.800 2.677 2.510 2.912 . 0 0 "[ . 1 . 2]" 1
632 1 24 ARG QG 1 30 ASN H 4.000 . 4.000 2.879 2.741 3.380 . 0 0 "[ . 1 . 2]" 1
633 1 24 ARG QG 1 30 ASN HA 5.300 . 5.300 3.847 3.730 3.946 . 0 0 "[ . 1 . 2]" 1
634 1 24 ARG QG 1 30 ASN HB2 4.300 . 4.300 2.320 2.231 2.451 . 0 0 "[ . 1 . 2]" 1
635 1 24 ARG QG 1 30 ASN HB3 5.000 . 5.000 2.325 2.285 2.372 . 0 0 "[ . 1 . 2]" 1
636 1 24 ARG QG 1 30 ASN HD21 5.200 . 5.200 4.427 4.253 4.518 . 0 0 "[ . 1 . 2]" 1
637 1 24 ARG QG 1 96 GLY H 5.500 . 5.500 4.722 4.623 4.810 . 0 0 "[ . 1 . 2]" 1
638 1 24 ARG QG 1 96 GLY HA3 4.500 . 4.500 2.332 2.302 2.404 . 0 0 "[ . 1 . 2]" 1
639 1 25 THR H 1 25 THR HB 2.900 . 2.900 2.526 2.482 2.559 . 0 0 "[ . 1 . 2]" 1
640 1 25 THR H 1 25 THR MG 3.900 . 3.900 3.787 3.772 3.799 . 0 0 "[ . 1 . 2]" 1
641 1 25 THR H 1 26 ASN H 3.200 . 3.200 2.156 2.040 2.287 . 0 0 "[ . 1 . 2]" 1
642 1 25 THR H 1 26 ASN HA 5.200 . 5.200 4.927 4.830 5.036 . 0 0 "[ . 1 . 2]" 1
643 1 25 THR H 1 26 ASN QB 5.300 . 5.300 4.051 3.912 4.161 . 0 0 "[ . 1 . 2]" 1
644 1 25 THR H 1 27 GLY H 4.600 . 4.600 3.948 3.845 4.042 . 0 0 "[ . 1 . 2]" 1
645 1 25 THR H 1 95 ASP HA 3.000 . 3.000 2.271 2.034 2.674 . 0 0 "[ . 1 . 2]" 1
646 1 25 THR H 1 95 ASP QB 5.200 . 5.200 3.573 2.924 4.313 . 0 0 "[ . 1 . 2]" 1
647 1 25 THR H 1 96 GLY H 4.800 . 4.800 4.193 3.984 4.374 . 0 0 "[ . 1 . 2]" 1
648 1 25 THR H 1 96 GLY HA2 5.500 . 5.500 5.094 4.914 5.249 . 0 0 "[ . 1 . 2]" 1
649 1 25 THR HA 1 25 THR MG 3.000 . 3.000 2.294 2.278 2.321 . 0 0 "[ . 1 . 2]" 1
650 1 25 THR HA 1 26 ASN HA 4.900 . 4.900 4.630 4.604 4.649 . 0 0 "[ . 1 . 2]" 1
651 1 25 THR HB 1 26 ASN H 3.300 . 3.300 2.902 2.830 3.039 . 0 0 "[ . 1 . 2]" 1
652 1 25 THR HB 1 26 ASN HA 4.600 . 4.600 4.530 4.465 4.645 0.045 13 0 "[ . 1 . 2]" 1
653 1 25 THR HB 1 95 ASP H 5.100 . 5.100 4.183 3.912 4.543 . 0 0 "[ . 1 . 2]" 1
654 1 25 THR HB 1 95 ASP QB 4.600 . 4.600 3.653 3.024 4.115 . 0 0 "[ . 1 . 2]" 1
655 1 25 THR MG 1 26 ASN H 4.000 . 4.000 3.762 3.710 3.819 . 0 0 "[ . 1 . 2]" 1
656 1 25 THR MG 1 27 GLY H 5.500 . 5.500 5.625 5.536 5.700 0.200 1 0 "[ . 1 . 2]" 1
657 1 25 THR MG 1 95 ASP HA 4.300 . 4.300 3.937 3.842 3.984 . 0 0 "[ . 1 . 2]" 1
658 1 26 ASN H 1 26 ASN QB 2.900 . 2.900 2.389 2.299 2.473 . 0 0 "[ . 1 . 2]" 1
659 1 26 ASN H 1 26 ASN QD 4.700 . 4.700 4.479 3.852 4.814 0.114 13 0 "[ . 1 . 2]" 1
660 1 26 ASN H 1 27 GLY H 3.000 . 3.000 2.329 2.138 2.446 . 0 0 "[ . 1 . 2]" 1
661 1 26 ASN H 1 27 GLY QA . . 5.100 4.199 4.065 4.255 . 0 0 "[ . 1 . 2]" 1
662 1 26 ASN H 1 95 ASP HA 5.000 . 5.000 3.991 3.687 4.383 . 0 0 "[ . 1 . 2]" 1
663 1 26 ASN QB 1 27 GLY H 3.700 . 3.700 2.183 2.055 2.378 . 0 0 "[ . 1 . 2]" 1
664 1 26 ASN QB 1 28 GLY H 5.300 . 5.300 5.754 5.678 5.850 0.550 19 1 "[ . 1 . +2]" 1
665 1 26 ASN HB2 1 27 GLY H 4.200 . 4.200 3.349 3.007 3.720 . 0 0 "[ . 1 . 2]" 1
666 1 26 ASN HB3 1 27 GLY H 4.200 . 4.200 2.218 2.075 2.455 . 0 0 "[ . 1 . 2]" 1
667 1 27 GLY H 1 27 GLY QA 2.800 . 2.800 2.229 2.223 2.238 . 0 0 "[ . 1 . 2]" 1
668 1 27 GLY H 1 28 GLY H 3.500 . 3.500 4.024 3.770 4.196 0.696 19 13 "[*- ** ***1 * *** +*]" 1
669 1 27 GLY QA 1 28 GLY H 2.900 . 2.900 2.086 2.018 2.167 . 0 0 "[ . 1 . 2]" 1
670 1 28 GLY H 1 29 TYR H 4.800 . 4.800 3.377 3.205 3.504 . 0 0 "[ . 1 . 2]" 1
671 1 28 GLY H 1 29 TYR QD 5.000 . 5.000 5.834 5.573 5.954 0.954 2 20 [*+*-****************] 1
672 1 28 GLY H 1 29 TYR QE 5.500 . 5.500 7.005 6.867 7.152 1.652 2 20 [*+**-***************] 1
673 1 28 GLY QA 1 29 TYR H 2.800 . 2.800 2.166 2.140 2.203 . 0 0 "[ . 1 . 2]" 1
674 1 28 GLY QA 1 29 TYR HA . . 4.800 3.998 3.991 4.010 . 0 0 "[ . 1 . 2]" 1
675 1 28 GLY QA 1 29 TYR QD 4.100 . 4.100 3.870 3.412 3.975 . 0 0 "[ . 1 . 2]" 1
676 1 29 TYR H 1 29 TYR QB 2.900 . 2.900 2.476 2.417 2.507 . 0 0 "[ . 1 . 2]" 1
677 1 29 TYR H 1 29 TYR QD 3.500 . 3.500 3.063 2.638 3.155 . 0 0 "[ . 1 . 2]" 1
678 1 29 TYR H 1 30 ASN H 4.500 . 4.500 4.496 4.466 4.536 0.036 19 0 "[ . 1 . 2]" 1
679 1 29 TYR H 1 30 ASN HA 5.000 . 5.000 5.118 5.065 5.160 0.160 19 0 "[ . 1 . 2]" 1
680 1 29 TYR H 1 30 ASN HB2 5.500 . 5.500 5.426 5.279 5.516 0.016 5 0 "[ . 1 . 2]" 1
681 1 29 TYR HA 1 29 TYR QD 3.500 . 3.500 2.412 2.343 2.803 . 0 0 "[ . 1 . 2]" 1
682 1 29 TYR HA 1 29 TYR QE 4.800 . 4.800 4.456 4.409 4.590 . 0 0 "[ . 1 . 2]" 1
683 1 29 TYR HA 1 30 ASN H 2.600 . 2.600 2.222 2.185 2.353 . 0 0 "[ . 1 . 2]" 1
684 1 29 TYR HA 1 30 ASN HB2 5.400 . 5.400 4.586 4.478 4.637 . 0 0 "[ . 1 . 2]" 1
685 1 29 TYR HA 1 30 ASN HB3 5.000 . 5.000 4.428 4.335 4.464 . 0 0 "[ . 1 . 2]" 1
686 1 29 TYR QB 1 30 ASN H 3.800 . 3.800 2.910 2.529 3.042 . 0 0 "[ . 1 . 2]" 1
687 1 29 TYR QD 1 30 ASN H 3.700 . 3.700 3.804 3.679 3.984 0.284 4 0 "[ . 1 . 2]" 1
688 1 30 ASN H 1 30 ASN HB2 3.600 . 3.600 3.314 3.226 3.465 . 0 0 "[ . 1 . 2]" 1
689 1 30 ASN H 1 30 ASN HB3 3.100 . 3.100 2.692 2.601 2.883 . 0 0 "[ . 1 . 2]" 1
690 1 30 ASN H 1 30 ASN HD21 4.600 . 4.600 4.302 4.223 4.498 . 0 0 "[ . 1 . 2]" 1
691 1 30 ASN H 1 30 ASN HD22 5.500 . 5.500 5.646 5.589 5.768 0.268 19 0 "[ . 1 . 2]" 1
692 1 30 ASN HA 1 30 ASN HD21 4.500 . 4.500 3.954 3.830 4.093 . 0 0 "[ . 1 . 2]" 1
693 1 30 ASN HA 1 30 ASN HD22 4.900 . 4.900 4.424 4.350 4.499 . 0 0 "[ . 1 . 2]" 1
694 1 30 ASN HA 1 31 THR H 2.500 . 2.500 2.143 2.132 2.153 . 0 0 "[ . 1 . 2]" 1
695 1 30 ASN HA 1 31 THR HB 5.000 . 5.000 4.726 4.669 4.794 . 0 0 "[ . 1 . 2]" 1
696 1 30 ASN HA 1 31 THR MG 5.500 . 5.500 5.449 5.428 5.477 . 0 0 "[ . 1 . 2]" 1
697 1 30 ASN HB2 1 30 ASN HD21 3.500 . 3.500 3.547 3.503 3.573 0.073 18 0 "[ . 1 . 2]" 1
698 1 30 ASN HB2 1 31 THR H 4.000 . 4.000 4.180 4.108 4.269 0.269 19 0 "[ . 1 . 2]" 1
699 1 30 ASN HB2 1 96 GLY HA3 4.600 . 4.600 3.846 3.681 4.115 . 0 0 "[ . 1 . 2]" 1
700 1 30 ASN HB3 1 30 ASN HD22 3.600 . 3.600 3.558 3.532 3.574 . 0 0 "[ . 1 . 2]" 1
701 1 30 ASN HB3 1 31 THR H 4.300 . 4.300 4.269 4.213 4.350 0.050 19 0 "[ . 1 . 2]" 1
702 1 30 ASN HB3 1 31 THR HA 5.500 . 5.500 4.991 4.929 5.055 . 0 0 "[ . 1 . 2]" 1
703 1 30 ASN HB3 1 96 GLY HA3 3.900 . 3.900 2.559 2.348 2.771 . 0 0 "[ . 1 . 2]" 1
704 1 30 ASN HB3 1 97 THR MG 5.500 . 5.500 3.645 3.433 3.859 . 0 0 "[ . 1 . 2]" 1
705 1 30 ASN HD21 1 31 THR H 5.500 . 5.500 3.958 3.706 4.366 . 0 0 "[ . 1 . 2]" 1
706 1 30 ASN HD21 1 31 THR HA 5.400 . 5.400 3.826 3.541 4.264 . 0 0 "[ . 1 . 2]" 1
707 1 30 ASN HD21 1 32 SER H 5.500 . 5.500 2.915 2.799 3.298 . 0 0 "[ . 1 . 2]" 1
708 1 30 ASN HD21 1 32 SER HA 5.500 . 5.500 4.713 4.584 4.849 . 0 0 "[ . 1 . 2]" 1
709 1 30 ASN HD21 1 32 SER QB 3.400 . 3.400 2.993 2.760 3.218 . 0 0 "[ . 1 . 2]" 1
710 1 30 ASN HD21 1 96 GLY HA3 4.200 . 4.200 3.910 3.564 4.107 . 0 0 "[ . 1 . 2]" 1
711 1 30 ASN HD21 1 97 THR HA 3.600 . 3.600 2.635 2.480 2.847 . 0 0 "[ . 1 . 2]" 1
712 1 30 ASN HD21 1 97 THR MG 4.100 . 4.100 2.792 2.670 3.022 . 0 0 "[ . 1 . 2]" 1
713 1 30 ASN HD21 1 98 LEU H 5.400 . 5.400 4.521 4.370 4.686 . 0 0 "[ . 1 . 2]" 1
714 1 30 ASN HD21 1 98 LEU HG 5.500 . 5.500 4.964 4.844 5.071 . 0 0 "[ . 1 . 2]" 1
715 1 30 ASN HD22 1 31 THR H 4.500 . 4.500 4.096 3.911 4.471 . 0 0 "[ . 1 . 2]" 1
716 1 30 ASN HD22 1 32 SER H 4.900 . 4.900 3.153 3.007 3.540 . 0 0 "[ . 1 . 2]" 1
717 1 30 ASN HD22 1 32 SER HA 4.700 . 4.700 3.703 3.533 3.879 . 0 0 "[ . 1 . 2]" 1
718 1 30 ASN HD22 1 32 SER HB2 3.900 . 3.900 2.832 2.368 3.554 . 0 0 "[ . 1 . 2]" 1
719 1 30 ASN HD22 1 32 SER QB 3.200 . 3.200 2.286 1.792 2.695 0.008 19 0 "[ . 1 . 2]" 1
720 1 30 ASN HD22 1 32 SER HB3 3.900 . 3.900 3.038 1.797 3.663 0.003 19 0 "[ . 1 . 2]" 1
721 1 30 ASN HD22 1 96 GLY HA3 5.300 . 5.300 5.249 4.966 5.439 0.139 2 0 "[ . 1 . 2]" 1
722 1 30 ASN HD22 1 97 THR HA 3.900 . 3.900 3.053 2.915 3.235 . 0 0 "[ . 1 . 2]" 1
723 1 30 ASN HD22 1 97 THR MG 4.100 . 4.100 2.281 2.019 2.593 . 0 0 "[ . 1 . 2]" 1
724 1 30 ASN HD22 1 98 LEU H 5.200 . 5.200 4.608 4.449 4.736 . 0 0 "[ . 1 . 2]" 1
725 1 31 THR H 1 31 THR HB 3.000 . 3.000 2.685 2.598 2.752 . 0 0 "[ . 1 . 2]" 1
726 1 31 THR H 1 31 THR MG 4.000 . 4.000 3.867 3.830 3.895 . 0 0 "[ . 1 . 2]" 1
727 1 31 THR HA 1 31 THR MG 3.000 . 3.000 2.275 2.261 2.289 . 0 0 "[ . 1 . 2]" 1
728 1 31 THR HA 1 32 SER H 2.400 . 2.400 2.188 2.160 2.230 . 0 0 "[ . 1 . 2]" 1
729 1 31 THR HB 1 32 SER H 4.500 . 4.500 4.405 4.380 4.431 . 0 0 "[ . 1 . 2]" 1
730 1 31 THR MG 1 32 SER H 3.300 . 3.300 3.386 3.322 3.476 0.176 20 0 "[ . 1 . 2]" 1
731 1 32 SER H 1 32 SER HB2 3.900 . 3.900 2.777 2.341 3.697 . 0 0 "[ . 1 . 2]" 1
732 1 32 SER H 1 32 SER QB 3.300 . 3.300 2.520 2.312 2.964 . 0 0 "[ . 1 . 2]" 1
733 1 32 SER H 1 32 SER HB3 3.900 . 3.900 3.447 2.908 3.655 . 0 0 "[ . 1 . 2]" 1
734 1 32 SER H 1 33 SER H 4.500 . 4.500 4.440 4.400 4.485 . 0 0 "[ . 1 . 2]" 1
735 1 32 SER H 1 33 SER HA 5.000 . 5.000 4.982 4.913 5.029 0.029 5 0 "[ . 1 . 2]" 1
736 1 32 SER H 1 97 THR HA 4.900 . 4.900 3.850 3.543 4.153 . 0 0 "[ . 1 . 2]" 1
737 1 32 SER H 1 98 LEU H 5.200 . 5.200 4.302 3.962 4.649 . 0 0 "[ . 1 . 2]" 1
738 1 32 SER H 1 98 LEU MD1 4.100 . 4.100 4.006 3.155 4.226 0.126 15 0 "[ . 1 . 2]" 1
739 1 32 SER H 1 98 LEU HG 4.500 . 4.500 3.865 3.592 4.230 . 0 0 "[ . 1 . 2]" 1
740 1 32 SER HA 1 33 SER H 2.800 . 2.800 2.567 2.460 2.636 . 0 0 "[ . 1 . 2]" 1
741 1 32 SER QB 1 33 SER H 2.700 . 2.700 2.060 1.907 2.282 . 0 0 "[ . 1 . 2]" 1
742 1 32 SER QB 1 97 THR HA 3.900 . 3.900 2.599 2.309 3.320 . 0 0 "[ . 1 . 2]" 1
743 1 32 SER QB 1 97 THR MG 3.800 . 3.800 3.092 2.553 3.407 . 0 0 "[ . 1 . 2]" 1
744 1 32 SER QB 1 98 LEU H 3.400 . 3.400 2.673 2.162 3.345 . 0 0 "[ . 1 . 2]" 1
745 1 32 SER QB 1 98 LEU MD1 4.400 . 4.400 3.976 3.644 4.355 . 0 0 "[ . 1 . 2]" 1
746 1 32 SER QB 1 98 LEU MD2 5.300 . 5.300 4.776 4.344 5.555 0.255 7 0 "[ . 1 . 2]" 1
747 1 32 SER QB 1 98 LEU HG 4.300 . 4.300 3.556 3.086 4.561 0.261 7 0 "[ . 1 . 2]" 1
748 1 32 SER HB2 1 98 LEU H 3.900 . 3.900 2.790 2.213 3.523 . 0 0 "[ . 1 . 2]" 1
749 1 32 SER HB2 1 98 LEU MD1 5.200 . 5.200 4.281 3.928 4.620 . 0 0 "[ . 1 . 2]" 1
750 1 32 SER HB2 1 98 LEU HG 5.000 . 5.000 3.735 3.157 4.935 . 0 0 "[ . 1 . 2]" 1
751 1 32 SER HB3 1 98 LEU H 3.900 . 3.900 3.483 3.041 4.169 0.269 17 0 "[ . 1 . 2]" 1
752 1 32 SER HB3 1 98 LEU MD1 5.200 . 5.200 4.734 4.291 5.383 0.183 6 0 "[ . 1 . 2]" 1
753 1 32 SER HB3 1 98 LEU HG 5.000 . 5.000 4.563 4.093 5.368 0.368 7 0 "[ . 1 . 2]" 1
754 1 33 SER H 1 33 SER HB2 3.900 . 3.900 3.844 3.782 3.900 0.000 9 0 "[ . 1 . 2]" 1
755 1 33 SER H 1 33 SER QB 3.100 . 3.100 3.197 3.059 3.271 0.171 15 0 "[ . 1 . 2]" 1
756 1 33 SER H 1 33 SER HB3 3.900 . 3.900 3.422 3.216 3.560 . 0 0 "[ . 1 . 2]" 1
757 1 33 SER H 1 34 ILE H 4.500 . 4.500 4.375 4.322 4.426 . 0 0 "[ . 1 . 2]" 1
758 1 33 SER H 1 34 ILE HB 5.300 . 5.300 5.035 4.874 5.171 . 0 0 "[ . 1 . 2]" 1
759 1 33 SER H 1 98 LEU HB2 5.400 . 5.400 4.659 4.358 4.919 . 0 0 "[ . 1 . 2]" 1
760 1 33 SER H 1 98 LEU MD1 4.700 . 4.700 4.306 3.905 4.484 . 0 0 "[ . 1 . 2]" 1
761 1 33 SER HA 1 34 ILE H 2.500 . 2.500 2.278 2.234 2.321 . 0 0 "[ . 1 . 2]" 1
762 1 33 SER HA 1 34 ILE HA 5.100 . 5.100 4.468 4.447 4.484 . 0 0 "[ . 1 . 2]" 1
763 1 33 SER HA 1 34 ILE MG 3.600 . 3.600 3.474 3.374 3.643 0.043 13 0 "[ . 1 . 2]" 1
764 1 33 SER HA 1 98 LEU HB2 5.400 . 5.400 3.712 3.508 3.948 . 0 0 "[ . 1 . 2]" 1
765 1 33 SER HA 1 98 LEU MD1 3.500 . 3.500 2.411 2.282 2.650 . 0 0 "[ . 1 . 2]" 1
766 1 33 SER QB 1 34 ILE H 3.100 . 3.100 2.687 2.562 2.823 . 0 0 "[ . 1 . 2]" 1
767 1 33 SER QB 1 35 ASP H 5.300 . 5.300 5.153 4.941 5.329 0.029 5 0 "[ . 1 . 2]" 1
768 1 34 ILE H 1 34 ILE HB 3.500 . 3.500 3.278 3.182 3.363 . 0 0 "[ . 1 . 2]" 1
769 1 34 ILE H 1 34 ILE QG 4.500 . 4.500 4.212 4.149 4.326 . 0 0 "[ . 1 . 2]" 1
770 1 34 ILE H 1 34 ILE MG 2.600 . 2.600 2.154 2.031 2.314 . 0 0 "[ . 1 . 2]" 1
771 1 34 ILE H 1 35 ASP H 4.300 . 4.300 4.237 4.115 4.333 0.033 5 0 "[ . 1 . 2]" 1
772 1 34 ILE H 1 36 LEU HG 5.500 . 5.500 5.307 5.217 5.405 . 0 0 "[ . 1 . 2]" 1
773 1 34 ILE H 1 98 LEU HB2 5.500 . 5.500 3.852 3.615 4.065 . 0 0 "[ . 1 . 2]" 1
774 1 34 ILE H 1 98 LEU MD1 3.600 . 3.600 3.183 2.973 3.311 . 0 0 "[ . 1 . 2]" 1
775 1 34 ILE HA 1 34 ILE MD 3.800 . 3.800 2.598 2.123 3.496 . 0 0 "[ . 1 . 2]" 1
776 1 34 ILE HA 1 34 ILE HG12 3.900 . 3.900 3.272 2.329 3.788 . 0 0 "[ . 1 . 2]" 1
777 1 34 ILE HA 1 34 ILE QG 3.400 . 3.400 2.761 2.297 3.046 . 0 0 "[ . 1 . 2]" 1
778 1 34 ILE HA 1 34 ILE HG13 3.900 . 3.900 3.268 3.076 3.511 . 0 0 "[ . 1 . 2]" 1
779 1 34 ILE HA 1 35 ASP H 2.400 . 2.400 2.136 2.119 2.165 . 0 0 "[ . 1 . 2]" 1
780 1 34 ILE HA 1 35 ASP HB2 5.500 . 5.500 4.514 4.180 5.675 0.175 16 0 "[ . 1 . 2]" 1
781 1 34 ILE HA 1 35 ASP QB 4.700 . 4.700 4.129 3.987 4.546 . 0 0 "[ . 1 . 2]" 1
782 1 34 ILE HA 1 35 ASP HB3 5.500 . 5.500 4.982 4.640 5.623 0.123 5 0 "[ . 1 . 2]" 1
783 1 34 ILE HB 1 34 ILE MD 3.200 . 3.200 2.628 2.276 3.205 0.005 11 0 "[ . 1 . 2]" 1
784 1 34 ILE HB 1 35 ASP H 4.300 . 4.300 4.215 4.091 4.294 . 0 0 "[ . 1 . 2]" 1
785 1 34 ILE HB 1 98 LEU HA 5.200 . 5.200 4.964 4.674 5.259 0.059 5 0 "[ . 1 . 2]" 1
786 1 34 ILE MD 1 35 ASP H 3.400 . 3.400 2.477 1.906 3.276 . 0 0 "[ . 1 . 2]" 1
787 1 34 ILE QG 1 35 ASP H 3.200 . 3.200 2.885 2.360 3.293 0.093 1 0 "[ . 1 . 2]" 1
788 1 34 ILE MG 1 98 LEU H 4.800 . 4.800 4.673 4.470 4.818 0.018 4 0 "[ . 1 . 2]" 1
789 1 34 ILE MG 1 99 LYS HA 4.600 . 4.600 3.965 3.716 4.280 . 0 0 "[ . 1 . 2]" 1
790 1 35 ASP H 1 35 ASP HB2 3.600 . 3.600 2.528 2.111 3.591 . 0 0 "[ . 1 . 2]" 1
791 1 35 ASP H 1 35 ASP QB 2.800 . 2.800 2.295 2.091 2.698 . 0 0 "[ . 1 . 2]" 1
792 1 35 ASP H 1 35 ASP HB3 3.600 . 3.600 2.896 2.570 3.592 . 0 0 "[ . 1 . 2]" 1
793 1 35 ASP HA 1 36 LEU H 3.000 . 3.000 2.142 2.105 2.173 . 0 0 "[ . 1 . 2]" 1
794 1 35 ASP HA 1 36 LEU HA 4.700 . 4.700 4.405 4.380 4.434 . 0 0 "[ . 1 . 2]" 1
795 1 35 ASP HA 1 36 LEU QB 5.100 . 5.100 4.422 4.345 4.526 . 0 0 "[ . 1 . 2]" 1
796 1 35 ASP HA 1 36 LEU MD2 4.800 . 4.800 4.786 4.509 5.164 0.364 10 0 "[ . 1 . 2]" 1
797 1 35 ASP HA 1 37 ASN H 3.800 . 3.800 3.285 3.213 3.342 . 0 0 "[ . 1 . 2]" 1
798 1 35 ASP QB 1 36 LEU H 3.700 . 3.700 3.699 3.345 3.874 0.174 17 0 "[ . 1 . 2]" 1
799 1 35 ASP QB 1 37 ASN H 3.900 . 3.900 2.960 2.394 3.425 . 0 0 "[ . 1 . 2]" 1
800 1 35 ASP QB 1 38 SER H 4.300 . 4.300 3.166 2.919 3.492 . 0 0 "[ . 1 . 2]" 1
801 1 35 ASP HB2 1 36 LEU H 4.600 . 4.600 4.336 3.508 4.570 . 0 0 "[ . 1 . 2]" 1
802 1 35 ASP HB3 1 36 LEU H 4.600 . 4.600 4.079 3.588 4.284 . 0 0 "[ . 1 . 2]" 1
803 1 36 LEU H 1 36 LEU QB 3.000 . 3.000 2.453 2.376 2.569 . 0 0 "[ . 1 . 2]" 1
804 1 36 LEU H 1 36 LEU MD1 3.900 . 3.900 3.343 3.193 3.491 . 0 0 "[ . 1 . 2]" 1
805 1 36 LEU H 1 36 LEU MD2 4.200 . 4.200 3.507 3.320 3.794 . 0 0 "[ . 1 . 2]" 1
806 1 36 LEU H 1 36 LEU HG 2.800 . 2.800 2.152 1.972 2.386 . 0 0 "[ . 1 . 2]" 1
807 1 36 LEU H 1 37 ASN H 3.000 . 3.000 2.468 2.415 2.530 . 0 0 "[ . 1 . 2]" 1
808 1 36 LEU H 1 37 ASN QB 4.800 . 4.800 4.181 4.123 4.238 . 0 0 "[ . 1 . 2]" 1
809 1 36 LEU H 1 38 SER H 4.000 . 4.000 4.486 4.393 4.618 0.618 13 8 "[ . - ** +*.*** 2]" 1
810 1 36 LEU H 1 39 VAL H 5.500 . 5.500 5.633 5.535 5.744 0.244 20 0 "[ . 1 . 2]" 1
811 1 36 LEU H 1 40 ILE MD 5.100 . 5.100 6.801 6.519 6.866 1.766 18 20 [*****************+-*] 1
812 1 36 LEU H 1 54 PHE QE 4.300 . 4.300 4.178 4.083 4.339 0.039 16 0 "[ . 1 . 2]" 1
813 1 36 LEU HA 1 36 LEU MD2 2.800 . 2.800 2.246 2.184 2.290 . 0 0 "[ . 1 . 2]" 1
814 1 36 LEU HA 1 36 LEU HG 3.700 . 3.700 2.952 2.777 3.089 . 0 0 "[ . 1 . 2]" 1
815 1 36 LEU HA 1 38 SER H 3.800 . 3.800 3.694 3.599 3.850 0.050 13 0 "[ . 1 . 2]" 1
816 1 36 LEU HA 1 39 VAL H 3.800 . 3.800 3.640 3.536 3.800 0.000 20 0 "[ . 1 . 2]" 1
817 1 36 LEU HA 1 39 VAL MG1 4.700 . 4.700 4.510 4.347 4.648 . 0 0 "[ . 1 . 2]" 1
818 1 36 LEU HA 1 40 ILE H 4.800 . 4.800 4.813 4.677 5.027 0.227 16 0 "[ . 1 . 2]" 1
819 1 36 LEU HA 1 40 ILE MD 5.000 . 5.000 5.076 4.727 5.181 0.181 7 0 "[ . 1 . 2]" 1
820 1 36 LEU HA 1 54 PHE QE 4.700 . 4.700 4.412 4.269 4.540 . 0 0 "[ . 1 . 2]" 1
821 1 36 LEU QB 1 37 ASN H 3.800 . 3.800 3.236 3.131 3.330 . 0 0 "[ . 1 . 2]" 1
822 1 36 LEU QB 1 39 VAL H 5.200 . 5.200 4.474 4.365 4.566 . 0 0 "[ . 1 . 2]" 1
823 1 36 LEU QB 1 40 ILE H 5.100 . 5.100 4.711 4.546 4.945 . 0 0 "[ . 1 . 2]" 1
824 1 36 LEU QB 1 40 ILE HB 5.500 . 5.500 3.287 3.186 3.499 . 0 0 "[ . 1 . 2]" 1
825 1 36 LEU QB 1 40 ILE MD . . 3.600 3.768 3.497 3.846 0.246 18 0 "[ . 1 . 2]" 1
826 1 36 LEU QB 1 54 PHE QE . . 3.600 2.487 2.296 2.680 . 0 0 "[ . 1 . 2]" 1
827 1 36 LEU QB 1 54 PHE HZ 4.000 . 4.000 3.065 2.913 3.231 . 0 0 "[ . 1 . 2]" 1
828 1 36 LEU QB 1 69 LEU MD1 5.400 . 5.400 4.411 4.006 4.650 . 0 0 "[ . 1 . 2]" 1
829 1 36 LEU MD1 1 54 PHE QE 3.800 . 3.800 4.032 3.857 4.208 0.408 16 0 "[ . 1 . 2]" 1
830 1 36 LEU MD1 1 54 PHE HZ 3.600 . 3.600 3.584 3.309 3.835 0.235 16 0 "[ . 1 . 2]" 1
831 1 36 LEU MD2 1 87 LEU HA 4.900 . 4.900 4.249 3.910 4.496 . 0 0 "[ . 1 . 2]" 1
832 1 36 LEU MD2 1 87 LEU HB2 5.100 . 5.100 5.166 5.012 5.489 0.389 1 0 "[ . 1 . 2]" 1
833 1 36 LEU MD2 1 87 LEU HB3 3.800 . 3.800 3.941 3.791 4.257 0.457 1 0 "[ . 1 . 2]" 1
834 1 37 ASN H 1 37 ASN QB 2.700 . 2.700 2.279 2.265 2.291 . 0 0 "[ . 1 . 2]" 1
835 1 37 ASN H 1 38 SER H 2.900 . 2.900 2.628 2.595 2.684 . 0 0 "[ . 1 . 2]" 1
836 1 37 ASN H 1 39 VAL H 4.300 . 4.300 4.141 4.049 4.214 . 0 0 "[ . 1 . 2]" 1
837 1 37 ASN H 1 40 ILE H 5.000 . 5.000 5.128 5.042 5.259 0.259 16 0 "[ . 1 . 2]" 1
838 1 37 ASN H 1 54 PHE QD 4.700 . 4.700 4.793 4.752 4.857 0.157 16 0 "[ . 1 . 2]" 1
839 1 37 ASN H 1 54 PHE QE 3.600 . 3.600 3.320 3.234 3.447 . 0 0 "[ . 1 . 2]" 1
840 1 37 ASN H 1 55 ILE H 5.500 . 5.500 6.229 6.172 6.294 0.794 17 20 [***********-****+***] 1
841 1 37 ASN HA 1 39 VAL H 4.100 . 4.100 3.664 3.565 3.720 . 0 0 "[ . 1 . 2]" 1
842 1 37 ASN HA 1 40 ILE H 3.600 . 3.600 3.515 3.440 3.600 . 0 0 "[ . 1 . 2]" 1
843 1 37 ASN HA 1 40 ILE HB 5.200 . 5.200 3.355 3.239 3.453 . 0 0 "[ . 1 . 2]" 1
844 1 37 ASN HA 1 52 SER QB 5.300 . 5.300 4.768 4.651 4.882 . 0 0 "[ . 1 . 2]" 1
845 1 37 ASN HA 1 54 PHE H 3.500 . 3.500 3.745 3.651 3.810 0.310 6 0 "[ . 1 . 2]" 1
846 1 37 ASN HA 1 54 PHE QE 3.600 . 3.600 2.374 2.348 2.488 . 0 0 "[ . 1 . 2]" 1
847 1 37 ASN HA 1 54 PHE HZ 4.900 . 4.900 4.749 4.683 4.837 . 0 0 "[ . 1 . 2]" 1
848 1 37 ASN HA 1 55 ILE H 5.300 . 5.300 4.001 3.876 4.125 . 0 0 "[ . 1 . 2]" 1
849 1 37 ASN HA 1 55 ILE HB 5.500 . 5.500 4.357 4.189 4.497 . 0 0 "[ . 1 . 2]" 1
850 1 37 ASN HA 1 55 ILE MG 5.500 . 5.500 4.122 3.934 4.406 . 0 0 "[ . 1 . 2]" 1
851 1 37 ASN QB 1 37 ASN QD 2.900 . 2.900 2.439 2.309 2.582 . 0 0 "[ . 1 . 2]" 1
852 1 37 ASN QB 1 38 SER H 4.000 . 4.000 3.041 2.933 3.219 . 0 0 "[ . 1 . 2]" 1
853 1 37 ASN QB 1 40 ILE H 5.500 . 5.500 5.193 5.156 5.252 . 0 0 "[ . 1 . 2]" 1
854 1 37 ASN QB 1 54 PHE H 3.100 . 3.100 4.495 4.318 4.637 1.537 13 20 [************+******-] 1
855 1 37 ASN QB 1 54 PHE QE 3.900 . 3.900 3.309 3.159 3.411 . 0 0 "[ . 1 . 2]" 1
856 1 37 ASN QB 1 55 ILE H 3.900 . 3.900 4.055 3.913 4.164 0.264 11 0 "[ . 1 . 2]" 1
857 1 37 ASN QB 1 55 ILE HG12 5.200 . 5.200 4.539 4.402 4.663 . 0 0 "[ . 1 . 2]" 1
858 1 37 ASN QB 1 55 ILE MG 4.100 . 4.100 2.861 2.650 3.022 . 0 0 "[ . 1 . 2]" 1
859 1 37 ASN QB 1 56 GLU H 4.800 . 4.800 5.551 5.403 5.669 0.869 6 20 [*-***+**************] 1
860 1 37 ASN QD 1 38 SER HA 4.500 . 4.500 5.151 4.907 5.400 0.900 20 17 "[*********1* - *****+]" 1
861 1 37 ASN QD 1 38 SER QB 4.800 . 4.800 6.082 5.715 6.462 1.662 20 20 [***********-*******+] 1
862 1 37 ASN QD 1 53 ASN H 4.200 . 4.200 2.215 2.026 2.415 . 0 0 "[ . 1 . 2]" 1
863 1 37 ASN QD 1 53 ASN HA 3.200 . 3.200 2.106 2.003 2.215 . 0 0 "[ . 1 . 2]" 1
864 1 37 ASN QD 1 53 ASN QB 5.000 . 5.000 4.079 3.900 4.225 . 0 0 "[ . 1 . 2]" 1
865 1 37 ASN QD 1 54 PHE H 5.200 . 5.200 2.066 1.923 2.266 . 0 0 "[ . 1 . 2]" 1
866 1 37 ASN QD 1 55 ILE MG 3.500 . 3.500 2.000 1.886 2.132 . 0 0 "[ . 1 . 2]" 1
867 1 38 SER H 1 38 SER QB 3.000 . 3.000 2.344 2.185 2.636 . 0 0 "[ . 1 . 2]" 1
868 1 38 SER HA 1 38 SER QB 2.700 . 2.700 2.358 2.262 2.458 . 0 0 "[ . 1 . 2]" 1
869 1 38 SER HA 1 52 SER HB2 3.800 . 3.800 3.648 3.378 3.782 . 0 0 "[ . 1 . 2]" 1
870 1 38 SER HA 1 52 SER QB 3.200 . 3.200 2.646 2.476 2.750 . 0 0 "[ . 1 . 2]" 1
871 1 38 SER HA 1 52 SER HB3 3.800 . 3.800 2.718 2.547 2.847 . 0 0 "[ . 1 . 2]" 1
872 1 38 SER HA 1 53 ASN H 3.900 . 3.900 4.668 4.467 4.806 0.906 5 20 [****+****-**********] 1
873 1 38 SER QB 1 39 VAL H 3.700 . 3.700 3.441 3.382 3.480 . 0 0 "[ . 1 . 2]" 1
874 1 38 SER QB 1 39 VAL MG1 3.700 . 3.700 2.868 2.713 3.143 . 0 0 "[ . 1 . 2]" 1
875 1 38 SER QB 1 39 VAL MG2 4.800 . 4.800 3.303 3.234 3.379 . 0 0 "[ . 1 . 2]" 1
876 1 38 SER QB 1 40 ILE H 4.900 . 4.900 5.025 4.971 5.077 0.177 16 0 "[ . 1 . 2]" 1
877 1 39 VAL H 1 39 VAL HB 3.900 . 3.900 3.849 3.822 3.902 0.002 20 0 "[ . 1 . 2]" 1
878 1 39 VAL H 1 39 VAL MG1 3.400 . 3.400 3.207 3.146 3.250 . 0 0 "[ . 1 . 2]" 1
879 1 39 VAL H 1 39 VAL MG2 4.400 . 4.400 2.222 2.173 2.323 . 0 0 "[ . 1 . 2]" 1
880 1 39 VAL H 1 40 ILE H 2.400 . 2.400 1.952 1.851 2.100 . 0 0 "[ . 1 . 2]" 1
881 1 39 VAL H 1 40 ILE HB 4.000 . 4.000 3.932 3.865 3.980 . 0 0 "[ . 1 . 2]" 1
882 1 39 VAL H 1 40 ILE QG 5.200 . 5.200 3.625 3.488 3.696 . 0 0 "[ . 1 . 2]" 1
883 1 39 VAL H 1 40 ILE MG 5.200 . 5.200 5.188 5.125 5.233 0.033 12 0 "[ . 1 . 2]" 1
884 1 39 VAL H 1 52 SER HA 3.900 . 3.900 4.015 3.884 4.125 0.225 11 0 "[ . 1 . 2]" 1
885 1 39 VAL H 1 52 SER QB 5.000 . 5.000 4.316 4.168 4.435 . 0 0 "[ . 1 . 2]" 1
886 1 39 VAL H 1 53 ASN H 5.500 . 5.500 5.788 5.562 5.924 0.424 7 0 "[ . 1 . 2]" 1
887 1 39 VAL HA 1 51 GLY H 4.200 . 4.200 2.576 2.320 2.905 . 0 0 "[ . 1 . 2]" 1
888 1 39 VAL HB 1 40 ILE H 4.200 . 4.200 4.333 4.281 4.408 0.208 16 0 "[ . 1 . 2]" 1
889 1 39 VAL HB 1 49 TRP HB3 4.900 . 4.900 4.390 4.238 4.701 . 0 0 "[ . 1 . 2]" 1
890 1 39 VAL HB 1 49 TRP HE3 4.000 . 4.000 2.384 2.319 2.468 . 0 0 "[ . 1 . 2]" 1
891 1 39 VAL HB 1 49 TRP HZ3 4.000 . 4.000 3.112 2.761 3.414 . 0 0 "[ . 1 . 2]" 1
892 1 39 VAL HB 1 100 TYR QD 3.600 . 3.600 3.310 3.043 3.589 . 0 0 "[ . 1 . 2]" 1
893 1 39 VAL HB 1 100 TYR QE 4.000 . 4.000 3.239 3.028 3.460 . 0 0 "[ . 1 . 2]" 1
894 1 39 VAL MG1 1 40 ILE H 4.400 . 4.400 4.362 4.325 4.414 0.014 12 0 "[ . 1 . 2]" 1
895 1 39 VAL MG1 1 49 TRP HZ3 4.600 . 4.600 4.104 3.901 4.314 . 0 0 "[ . 1 . 2]" 1
896 1 39 VAL MG1 1 50 GLN H 5.500 . 5.500 4.221 4.053 4.373 . 0 0 "[ . 1 . 2]" 1
897 1 39 VAL MG1 1 51 GLY H 5.200 . 5.200 4.225 4.004 4.500 . 0 0 "[ . 1 . 2]" 1
898 1 39 VAL MG1 1 100 TYR H 4.900 . 4.900 4.556 4.241 4.882 . 0 0 "[ . 1 . 2]" 1
899 1 39 VAL MG1 1 100 TYR HB2 4.200 . 4.200 2.465 2.296 2.910 . 0 0 "[ . 1 . 2]" 1
900 1 39 VAL MG1 1 100 TYR QB 3.700 . 3.700 2.274 2.092 2.582 . 0 0 "[ . 1 . 2]" 1
901 1 39 VAL MG1 1 100 TYR HB3 4.200 . 4.200 2.694 2.360 3.009 . 0 0 "[ . 1 . 2]" 1
902 1 39 VAL MG1 1 100 TYR QD 3.100 . 3.100 2.794 2.671 2.927 . 0 0 "[ . 1 . 2]" 1
903 1 39 VAL MG2 1 40 ILE H 3.000 . 3.000 3.249 3.160 3.430 0.430 16 0 "[ . 1 . 2]" 1
904 1 39 VAL MG2 1 49 TRP HE3 4.200 . 4.200 3.147 2.975 3.422 . 0 0 "[ . 1 . 2]" 1
905 1 39 VAL MG2 1 51 GLY H 5.500 . 5.500 4.744 4.639 4.873 . 0 0 "[ . 1 . 2]" 1
906 1 40 ILE H 1 40 ILE HB 3.400 . 3.400 2.770 2.727 2.804 . 0 0 "[ . 1 . 2]" 1
907 1 40 ILE H 1 40 ILE MD 3.300 . 3.300 4.228 3.864 4.286 0.986 10 20 [*********+********-*] 1
908 1 40 ILE H 1 40 ILE QG 4.300 . 4.300 3.119 3.076 3.152 . 0 0 "[ . 1 . 2]" 1
909 1 40 ILE H 1 41 ALA H 4.500 . 4.500 4.366 4.343 4.411 . 0 0 "[ . 1 . 2]" 1
910 1 40 ILE H 1 52 SER H 5.100 . 5.100 4.791 4.566 4.946 . 0 0 "[ . 1 . 2]" 1
911 1 40 ILE H 1 52 SER HA 3.100 . 3.100 2.898 2.796 3.016 . 0 0 "[ . 1 . 2]" 1
912 1 40 ILE H 1 52 SER QB 4.200 . 4.200 4.036 3.942 4.132 . 0 0 "[ . 1 . 2]" 1
913 1 40 ILE H 1 53 ASN H 4.400 . 4.400 5.047 4.835 5.182 0.782 6 18 "[*****+*- *****.*****]" 1
914 1 40 ILE H 1 54 PHE H 5.200 . 5.200 5.399 5.221 5.572 0.372 20 0 "[ . 1 . 2]" 1
915 1 40 ILE H 1 54 PHE HB3 5.500 . 5.500 4.720 4.633 4.806 . 0 0 "[ . 1 . 2]" 1
916 1 40 ILE HA 1 40 ILE QG 3.900 . 3.900 2.748 2.707 2.988 . 0 0 "[ . 1 . 2]" 1
917 1 40 ILE HA 1 40 ILE MG 3.400 . 3.400 2.417 2.359 2.443 . 0 0 "[ . 1 . 2]" 1
918 1 40 ILE HA 1 41 ALA H 2.400 . 2.400 2.186 2.161 2.217 . 0 0 "[ . 1 . 2]" 1
919 1 40 ILE HA 1 49 TRP HA 4.000 . 4.000 2.937 2.864 2.999 . 0 0 "[ . 1 . 2]" 1
920 1 40 ILE HA 1 50 GLN H 5.100 . 5.100 4.757 4.676 4.873 . 0 0 "[ . 1 . 2]" 1
921 1 40 ILE HA 1 51 GLY H 3.900 . 3.900 3.426 3.085 3.833 . 0 0 "[ . 1 . 2]" 1
922 1 40 ILE HB 1 40 ILE MD 3.600 . 3.600 3.222 3.211 3.242 . 0 0 "[ . 1 . 2]" 1
923 1 40 ILE HB 1 49 TRP HA 5.500 . 5.500 5.499 5.408 5.645 0.145 19 0 "[ . 1 . 2]" 1
924 1 40 ILE HB 1 54 PHE HB2 5.000 . 5.000 4.650 4.522 4.726 . 0 0 "[ . 1 . 2]" 1
925 1 40 ILE HB 1 54 PHE HB3 5.000 . 5.000 3.696 3.560 3.783 . 0 0 "[ . 1 . 2]" 1
926 1 40 ILE HB 1 54 PHE QE 3.500 . 3.500 2.815 2.719 2.903 . 0 0 "[ . 1 . 2]" 1
927 1 40 ILE MD 1 49 TRP HA 5.400 . 5.400 2.366 2.237 2.484 . 0 0 "[ . 1 . 2]" 1
928 1 40 ILE MD 1 49 TRP HB3 5.500 . 5.500 4.321 4.179 4.379 . 0 0 "[ . 1 . 2]" 1
929 1 40 ILE MD 1 49 TRP HE3 3.900 . 3.900 2.914 2.462 2.997 . 0 0 "[ . 1 . 2]" 1
930 1 40 ILE MD 1 49 TRP HH2 4.500 . 4.500 3.403 3.273 3.656 . 0 0 "[ . 1 . 2]" 1
931 1 40 ILE MD 1 49 TRP HZ2 4.700 . 4.700 3.652 3.511 3.841 . 0 0 "[ . 1 . 2]" 1
932 1 40 ILE MD 1 49 TRP HZ3 3.700 . 3.700 3.062 2.783 3.209 . 0 0 "[ . 1 . 2]" 1
933 1 40 ILE MD 1 50 GLN H 5.500 . 5.500 4.558 4.256 4.646 . 0 0 "[ . 1 . 2]" 1
934 1 40 ILE MD 1 51 GLY H 5.500 . 5.500 4.702 4.198 5.101 . 0 0 "[ . 1 . 2]" 1
935 1 40 ILE MD 1 54 PHE QE 4.200 . 4.200 4.905 4.822 5.002 0.802 19 20 [**-***************+*] 1
936 1 40 ILE MD 1 54 PHE HZ 5.500 . 5.500 5.736 5.565 5.915 0.415 19 0 "[ . 1 . 2]" 1
937 1 40 ILE QG 1 41 ALA H 4.300 . 4.300 4.496 4.452 4.598 0.298 19 0 "[ . 1 . 2]" 1
938 1 40 ILE QG 1 49 TRP HA 5.500 . 5.500 3.726 3.515 4.255 . 0 0 "[ . 1 . 2]" 1
939 1 40 ILE QG 1 49 TRP HE3 4.400 . 4.400 3.268 3.082 3.779 . 0 0 "[ . 1 . 2]" 1
940 1 40 ILE QG 1 49 TRP HZ3 4.200 . 4.200 2.926 2.796 3.177 . 0 0 "[ . 1 . 2]" 1
941 1 40 ILE QG 1 50 GLN H 5.500 . 5.500 5.275 5.094 5.820 0.320 19 0 "[ . 1 . 2]" 1
942 1 40 ILE QG 1 51 GLY H 5.500 . 5.500 4.876 4.605 5.140 . 0 0 "[ . 1 . 2]" 1
943 1 40 ILE MG 1 41 ALA H 2.800 . 2.800 2.392 2.270 2.478 . 0 0 "[ . 1 . 2]" 1
944 1 40 ILE MG 1 41 ALA HA 4.500 . 4.500 3.575 3.519 3.623 . 0 0 "[ . 1 . 2]" 1
945 1 40 ILE MG 1 42 ALA H 4.900 . 4.900 4.502 4.395 4.583 . 0 0 "[ . 1 . 2]" 1
946 1 40 ILE MG 1 47 LEU H 5.500 . 5.500 4.960 4.838 5.102 . 0 0 "[ . 1 . 2]" 1
947 1 40 ILE MG 1 47 LEU QB 3.800 . 3.800 2.229 2.094 2.395 . 0 0 "[ . 1 . 2]" 1
948 1 40 ILE MG 1 48 LYS H 3.200 . 3.200 2.880 2.735 3.012 . 0 0 "[ . 1 . 2]" 1
949 1 40 ILE MG 1 49 TRP H 5.500 . 5.500 5.111 4.956 5.188 . 0 0 "[ . 1 . 2]" 1
950 1 40 ILE MG 1 49 TRP HA 4.900 . 4.900 4.185 4.126 4.271 . 0 0 "[ . 1 . 2]" 1
951 1 40 ILE MG 1 51 GLY H 5.500 . 5.500 5.300 5.035 5.640 0.140 4 0 "[ . 1 . 2]" 1
952 1 40 ILE MG 1 54 PHE H 4.400 . 4.400 4.562 4.473 4.657 0.257 20 0 "[ . 1 . 2]" 1
953 1 40 ILE MG 1 54 PHE HB3 3.800 . 3.800 2.457 2.366 2.560 . 0 0 "[ . 1 . 2]" 1
954 1 40 ILE MG 1 54 PHE QE 4.000 . 4.000 3.480 3.396 3.547 . 0 0 "[ . 1 . 2]" 1
955 1 40 ILE MG 1 54 PHE HZ 5.000 . 5.000 4.213 4.064 4.344 . 0 0 "[ . 1 . 2]" 1
956 1 41 ALA H 1 41 ALA MB 2.800 . 2.800 2.398 2.370 2.444 . 0 0 "[ . 1 . 2]" 1
957 1 41 ALA H 1 43 VAL QG 5.400 . 5.400 5.055 4.879 5.151 . 0 0 "[ . 1 . 2]" 1
958 1 41 ALA H 1 47 LEU QB 5.300 . 5.300 4.504 4.350 4.745 . 0 0 "[ . 1 . 2]" 1
959 1 41 ALA H 1 47 LEU QD 4.100 . 4.100 4.087 3.967 4.222 0.122 14 0 "[ . 1 . 2]" 1
960 1 41 ALA H 1 48 LYS H 3.200 . 3.200 2.648 2.452 2.826 . 0 0 "[ . 1 . 2]" 1
961 1 41 ALA H 1 48 LYS QB 5.500 . 5.500 3.736 3.475 4.684 . 0 0 "[ . 1 . 2]" 1
962 1 41 ALA H 1 49 TRP HA 4.600 . 4.600 4.319 4.219 4.408 . 0 0 "[ . 1 . 2]" 1
963 1 41 ALA H 1 51 GLY H 4.500 . 4.500 4.420 4.087 4.799 0.299 4 0 "[ . 1 . 2]" 1
964 1 41 ALA H 1 51 GLY QA 4.600 . 4.600 3.300 3.043 3.668 . 0 0 "[ . 1 . 2]" 1
965 1 41 ALA H 1 54 PHE HB2 5.500 . 5.500 4.401 4.269 4.503 . 0 0 "[ . 1 . 2]" 1
966 1 41 ALA H 1 54 PHE HB3 4.700 . 4.700 3.755 3.674 3.808 . 0 0 "[ . 1 . 2]" 1
967 1 41 ALA H 1 85 ILE MD 5.500 . 5.500 4.997 4.789 5.266 . 0 0 "[ . 1 . 2]" 1
968 1 41 ALA HA 1 42 ALA H 2.500 . 2.500 2.276 2.243 2.302 . 0 0 "[ . 1 . 2]" 1
969 1 41 ALA HA 1 42 ALA HA 4.500 . 4.500 4.451 4.431 4.463 . 0 0 "[ . 1 . 2]" 1
970 1 41 ALA HA 1 43 VAL QG 5.400 . 5.400 4.781 4.589 5.535 0.135 16 0 "[ . 1 . 2]" 1
971 1 41 ALA HA 1 52 SER H 3.700 . 3.700 3.307 3.110 3.453 . 0 0 "[ . 1 . 2]" 1
972 1 41 ALA HA 1 54 PHE HB3 3.700 . 3.700 2.247 2.213 2.286 . 0 0 "[ . 1 . 2]" 1
973 1 41 ALA MB 1 51 GLY H 4.200 . 4.200 4.186 4.067 4.330 0.130 5 0 "[ . 1 . 2]" 1
974 1 41 ALA MB 1 51 GLY QA 3.200 . 3.200 2.071 2.022 2.187 . 0 0 "[ . 1 . 2]" 1
975 1 41 ALA MB 1 52 SER H 2.800 . 2.800 1.911 1.800 2.106 . 18 0 "[ . 1 . 2]" 1
976 1 41 ALA MB 1 52 SER QB 4.900 . 4.900 4.574 4.471 4.716 . 0 0 "[ . 1 . 2]" 1
977 1 41 ALA MB 1 53 ASN H 5.200 . 5.200 5.082 4.985 5.332 0.132 16 0 "[ . 1 . 2]" 1
978 1 41 ALA MB 1 54 PHE H 4.800 . 4.800 5.106 5.001 5.199 0.399 8 0 "[ . 1 . 2]" 1
979 1 42 ALA H 1 42 ALA MB 2.900 . 2.900 2.346 2.307 2.382 . 0 0 "[ . 1 . 2]" 1
980 1 42 ALA H 1 43 VAL HA 5.200 . 5.200 5.137 5.100 5.176 . 0 0 "[ . 1 . 2]" 1
981 1 42 ALA H 1 43 VAL HB 5.500 . 5.500 5.900 5.114 6.153 0.653 12 14 "[******** 1*+ * * *-]" 1
982 1 42 ALA H 1 43 VAL QG 4.700 . 4.700 3.876 3.673 4.827 0.127 16 0 "[ . 1 . 2]" 1
983 1 42 ALA H 1 47 LEU QD 4.400 . 4.400 4.313 4.123 4.467 0.067 14 0 "[ . 1 . 2]" 1
984 1 42 ALA H 1 54 PHE HB2 3.800 . 3.800 3.022 2.790 3.195 . 0 0 "[ . 1 . 2]" 1
985 1 42 ALA H 1 54 PHE HB3 3.600 . 3.600 3.135 2.971 3.232 . 0 0 "[ . 1 . 2]" 1
986 1 42 ALA HA 1 44 ASP H 5.500 . 5.500 5.491 5.356 5.584 0.084 9 0 "[ . 1 . 2]" 1
987 1 42 ALA HA 1 45 GLY H 5.500 . 5.500 4.539 4.440 4.611 . 0 0 "[ . 1 . 2]" 1
988 1 42 ALA HA 1 47 LEU QD 4.400 . 4.400 2.703 2.531 2.835 . 0 0 "[ . 1 . 2]" 1
989 1 42 ALA HA 1 54 PHE HA 4.600 . 4.600 4.173 4.096 4.344 . 0 0 "[ . 1 . 2]" 1
990 1 42 ALA MB 1 43 VAL H 3.300 . 3.300 3.334 3.279 3.396 0.096 14 0 "[ . 1 . 2]" 1
991 1 42 ALA MB 1 43 VAL HA 4.700 . 4.700 4.097 4.073 4.125 . 0 0 "[ . 1 . 2]" 1
992 1 42 ALA MB 1 44 ASP H 5.000 . 5.000 4.539 4.421 4.679 . 0 0 "[ . 1 . 2]" 1
993 1 42 ALA MB 1 45 GLY H 4.600 . 4.600 3.650 3.553 3.818 . 0 0 "[ . 1 . 2]" 1
994 1 42 ALA MB 1 46 SER H 4.200 . 4.200 3.877 3.746 4.141 . 0 0 "[ . 1 . 2]" 1
995 1 42 ALA MB 1 54 PHE H 4.700 . 4.700 4.558 4.514 4.635 . 0 0 "[ . 1 . 2]" 1
996 1 42 ALA MB 1 54 PHE HA 3.000 . 3.000 2.105 2.073 2.182 . 0 0 "[ . 1 . 2]" 1
997 1 42 ALA MB 1 54 PHE HB2 3.600 . 3.600 2.248 2.222 2.280 . 0 0 "[ . 1 . 2]" 1
998 1 42 ALA MB 1 54 PHE HB3 3.700 . 3.700 3.534 3.504 3.573 . 0 0 "[ . 1 . 2]" 1
999 1 42 ALA MB 1 56 GLU H 5.000 . 5.000 5.189 5.041 5.305 0.305 20 0 "[ . 1 . 2]" 1
1000 1 42 ALA MB 1 57 ALA H 4.300 . 4.300 3.820 3.655 4.036 . 0 0 "[ . 1 . 2]" 1
1001 1 42 ALA MB 1 58 CYS H 4.100 . 4.100 4.758 4.616 4.917 0.817 3 20 [**+*****-***********] 1
1002 1 42 ALA MB 1 58 CYS HA 5.000 . 5.000 4.931 4.828 5.018 0.018 2 0 "[ . 1 . 2]" 1
1003 1 42 ALA MB 1 73 CYS HA 4.500 . 4.500 4.181 4.054 4.372 . 0 0 "[ . 1 . 2]" 1
1004 1 42 ALA MB 1 73 CYS HB2 4.200 . 4.200 3.869 3.585 4.115 . 0 0 "[ . 1 . 2]" 1
1005 1 42 ALA MB 1 73 CYS HB3 3.600 . 3.600 2.655 2.452 2.829 . 0 0 "[ . 1 . 2]" 1
1006 1 43 VAL H 1 43 VAL QG 3.100 . 3.100 2.594 1.941 2.754 . 0 0 "[ . 1 . 2]" 1
1007 1 43 VAL H 1 44 ASP H 4.000 . 4.000 4.064 3.998 4.108 0.108 9 0 "[ . 1 . 2]" 1
1008 1 43 VAL H 1 45 GLY QA 5.300 . 5.300 4.569 4.462 4.702 . 0 0 "[ . 1 . 2]" 1
1009 1 43 VAL H 1 46 SER H 3.200 . 3.200 2.438 2.363 2.552 . 0 0 "[ . 1 . 2]" 1
1010 1 43 VAL H 1 46 SER QB 4.000 . 4.000 3.354 3.148 4.172 0.172 11 0 "[ . 1 . 2]" 1
1011 1 43 VAL H 1 47 LEU QD 4.200 . 4.200 4.210 4.076 4.342 0.142 17 0 "[ . 1 . 2]" 1
1012 1 43 VAL H 1 47 LEU HG 5.300 . 5.300 5.695 5.512 5.917 0.617 14 2 "[ . 1 +.- 2]" 1
1013 1 43 VAL H 1 48 LYS QD 4.700 . 4.700 5.972 3.427 6.893 2.193 15 18 "[********-*****+** *2]" 1
1014 1 43 VAL H 1 54 PHE HB2 5.500 . 5.500 5.438 5.204 5.583 0.083 20 0 "[ . 1 . 2]" 1
1015 1 43 VAL HA 1 43 VAL QG 2.800 . 2.800 2.117 2.070 2.354 . 0 0 "[ . 1 . 2]" 1
1016 1 43 VAL HA 1 44 ASP H 2.600 . 2.600 2.157 2.122 2.177 . 0 0 "[ . 1 . 2]" 1
1017 1 43 VAL HA 1 44 ASP QB 5.300 . 5.300 4.196 3.918 4.376 . 0 0 "[ . 1 . 2]" 1
1018 1 43 VAL HB 1 44 ASP H 4.700 . 4.700 4.382 4.341 4.423 . 0 0 "[ . 1 . 2]" 1
1019 1 43 VAL HB 1 46 SER QB 5.300 . 5.300 3.498 2.696 5.025 . 0 0 "[ . 1 . 2]" 1
1020 1 43 VAL QG 1 44 ASP H 3.400 . 3.400 3.037 2.955 3.132 . 0 0 "[ . 1 . 2]" 1
1021 1 43 VAL QG 1 44 ASP QB 3.800 . 3.800 2.732 2.496 3.010 . 0 0 "[ . 1 . 2]" 1
1022 1 43 VAL QG 1 46 SER H 5.400 . 5.400 4.115 3.257 4.325 . 0 0 "[ . 1 . 2]" 1
1023 1 44 ASP H 1 44 ASP HA 2.800 . 2.800 2.273 2.255 2.281 . 0 0 "[ . 1 . 2]" 1
1024 1 44 ASP H 1 44 ASP HB2 4.100 . 4.100 3.431 3.062 3.953 . 0 0 "[ . 1 . 2]" 1
1025 1 44 ASP H 1 44 ASP QB 3.500 . 3.500 3.145 2.932 3.338 . 0 0 "[ . 1 . 2]" 1
1026 1 44 ASP H 1 44 ASP HB3 4.100 . 4.100 3.862 3.023 4.122 0.022 4 0 "[ . 1 . 2]" 1
1027 1 44 ASP H 1 45 GLY H 3.200 . 3.200 2.689 2.601 2.785 . 0 0 "[ . 1 . 2]" 1
1028 1 44 ASP H 1 45 GLY QA 5.300 . 5.300 4.563 4.489 4.653 . 0 0 "[ . 1 . 2]" 1
1029 1 44 ASP H 1 46 SER H 4.500 . 4.500 4.268 4.165 4.414 . 0 0 "[ . 1 . 2]" 1
1030 1 44 ASP H 1 76 ALA MB 5.000 . 5.000 4.010 3.793 4.293 . 0 0 "[ . 1 . 2]" 1
1031 1 44 ASP HA 1 45 GLY H 2.900 . 2.900 2.942 2.835 2.998 0.098 15 0 "[ . 1 . 2]" 1
1032 1 44 ASP HA 1 46 SER H 4.800 . 4.800 4.870 4.736 4.972 0.172 16 0 "[ . 1 . 2]" 1
1033 1 44 ASP HA 1 75 THR MG 4.200 . 4.200 3.702 3.551 3.876 . 0 0 "[ . 1 . 2]" 1
1034 1 44 ASP HA 1 76 ALA H 3.000 . 3.000 2.126 1.992 2.281 . 0 0 "[ . 1 . 2]" 1
1035 1 44 ASP HA 1 76 ALA MB 5.300 . 5.300 3.020 2.890 3.245 . 0 0 "[ . 1 . 2]" 1
1036 1 44 ASP QB 1 45 GLY H 4.100 . 4.100 3.856 3.778 4.089 . 0 0 "[ . 1 . 2]" 1
1037 1 44 ASP QB 1 46 SER H 4.400 . 4.400 4.419 4.109 5.181 0.781 16 3 "[ * 1 - .+ 2]" 1
1038 1 44 ASP QB 1 75 THR MG 5.300 . 5.300 3.851 3.551 4.312 . 0 0 "[ . 1 . 2]" 1
1039 1 44 ASP QB 1 76 ALA H 4.300 . 4.300 3.366 2.485 3.864 . 0 0 "[ . 1 . 2]" 1
1040 1 44 ASP HB2 1 45 GLY H 4.800 . 4.800 4.313 4.092 4.583 . 0 0 "[ . 1 . 2]" 1
1041 1 44 ASP HB3 1 45 GLY H 4.800 . 4.800 4.376 4.095 4.610 . 0 0 "[ . 1 . 2]" 1
1042 1 45 GLY H 1 45 GLY QA 2.600 . 2.600 2.217 2.203 2.229 . 0 0 "[ . 1 . 2]" 1
1043 1 45 GLY H 1 46 SER H 3.000 . 3.000 2.444 2.364 2.524 . 0 0 "[ . 1 . 2]" 1
1044 1 45 GLY H 1 46 SER HA 5.500 . 5.500 5.147 5.084 5.209 . 0 0 "[ . 1 . 2]" 1
1045 1 45 GLY H 1 46 SER QB 5.300 . 5.300 4.554 4.262 4.837 . 0 0 "[ . 1 . 2]" 1
1046 1 45 GLY H 1 57 ALA MB 5.000 . 5.000 5.280 5.054 5.456 0.456 10 0 "[ . 1 . 2]" 1
1047 1 45 GLY H 1 73 CYS HB3 4.000 . 4.000 3.611 3.310 3.820 . 0 0 "[ . 1 . 2]" 1
1048 1 45 GLY H 1 75 THR H 4.700 . 4.700 5.191 5.018 5.370 0.670 18 9 "[** *. * 1 * *- +*2]" 1
1049 1 45 GLY H 1 75 THR HA 3.300 . 3.300 3.029 2.877 3.180 . 0 0 "[ . 1 . 2]" 1
1050 1 45 GLY H 1 75 THR HB 5.100 . 5.100 5.312 5.058 5.570 0.470 12 0 "[ . 1 . 2]" 1
1051 1 45 GLY H 1 76 ALA H 5.000 . 5.000 4.701 4.546 4.869 . 0 0 "[ . 1 . 2]" 1
1052 1 45 GLY H 1 81 VAL QG 4.700 . 4.700 4.350 4.279 4.575 . 0 0 "[ . 1 . 2]" 1
1053 1 45 GLY QA 1 46 SER HA 4.900 . 4.900 4.028 4.015 4.041 . 0 0 "[ . 1 . 2]" 1
1054 1 45 GLY QA 1 73 CYS HA 5.300 . 5.300 4.242 4.180 4.323 . 0 0 "[ . 1 . 2]" 1
1055 1 45 GLY QA 1 73 CYS HB2 4.200 . 4.200 2.413 2.242 2.724 . 0 0 "[ . 1 . 2]" 1
1056 1 45 GLY QA 1 73 CYS HB3 4.800 . 4.800 2.325 2.285 2.378 . 0 0 "[ . 1 . 2]" 1
1057 1 45 GLY QA 1 75 THR HA 4.200 . 4.200 3.030 2.973 3.108 . 0 0 "[ . 1 . 2]" 1
1058 1 45 GLY QA 1 75 THR HB 5.300 . 5.300 4.494 4.267 4.643 . 0 0 "[ . 1 . 2]" 1
1059 1 45 GLY QA 1 76 ALA H 5.300 . 5.300 4.994 4.920 5.075 . 0 0 "[ . 1 . 2]" 1
1060 1 45 GLY QA 1 80 PHE HA 5.300 . 5.300 4.683 4.546 4.841 . 0 0 "[ . 1 . 2]" 1
1061 1 45 GLY QA 1 81 VAL QG 3.300 . 3.300 2.075 2.010 2.276 . 0 0 "[ . 1 . 2]" 1
1062 1 45 GLY HA2 1 75 THR MG 3.500 . 3.500 3.604 3.457 3.702 0.202 1 0 "[ . 1 . 2]" 1
1063 1 45 GLY HA3 1 75 THR MG 3.500 . 3.500 2.411 2.249 2.514 . 0 0 "[ . 1 . 2]" 1
1064 1 46 SER H 1 46 SER QB 3.000 . 3.000 2.746 2.631 2.966 . 0 0 "[ . 1 . 2]" 1
1065 1 46 SER H 1 47 LEU H 4.900 . 4.900 4.209 4.136 4.290 . 0 0 "[ . 1 . 2]" 1
1066 1 46 SER H 1 47 LEU HG 5.500 . 5.500 4.895 4.761 5.043 . 0 0 "[ . 1 . 2]" 1
1067 1 46 SER H 1 48 LYS QD 5.500 . 5.500 6.556 5.153 7.428 1.928 15 17 "[******** **-**+** *2]" 1
1068 1 46 SER H 1 81 VAL QG 5.400 . 5.400 4.557 4.441 4.723 . 0 0 "[ . 1 . 2]" 1
1069 1 46 SER HA 1 47 LEU QD 5.400 . 5.400 4.214 4.062 4.284 . 0 0 "[ . 1 . 2]" 1
1070 1 46 SER HA 1 83 THR HB 4.200 . 4.200 3.230 2.771 3.626 . 0 0 "[ . 1 . 2]" 1
1071 1 46 SER HA 1 83 THR MG 4.100 . 4.100 2.672 2.555 2.841 . 0 0 "[ . 1 . 2]" 1
1072 1 46 SER QB 1 47 LEU H 3.800 . 3.800 3.424 3.191 3.823 0.023 20 0 "[ . 1 . 2]" 1
1073 1 46 SER QB 1 47 LEU QD 5.300 . 5.300 4.858 4.720 5.006 . 0 0 "[ . 1 . 2]" 1
1074 1 46 SER QB 1 48 LYS QD 4.300 . 4.300 3.876 2.423 4.807 0.507 4 1 "[ +. 1 . 2]" 1
1075 1 46 SER QB 1 48 LYS QG 4.900 . 4.900 3.125 2.921 3.555 . 0 0 "[ . 1 . 2]" 1
1076 1 47 LEU H 1 47 LEU QB 3.000 . 3.000 2.449 2.409 2.506 . 0 0 "[ . 1 . 2]" 1
1077 1 47 LEU H 1 47 LEU QD 4.000 . 4.000 3.146 3.085 3.203 . 0 0 "[ . 1 . 2]" 1
1078 1 47 LEU H 1 47 LEU HG 3.400 . 3.400 2.327 2.219 2.445 . 0 0 "[ . 1 . 2]" 1
1079 1 47 LEU H 1 48 LYS H 4.900 . 4.900 4.432 4.404 4.468 . 0 0 "[ . 1 . 2]" 1
1080 1 47 LEU H 1 48 LYS QG 4.800 . 4.800 4.283 4.063 4.473 . 0 0 "[ . 1 . 2]" 1
1081 1 47 LEU H 1 83 THR HB 3.600 . 3.600 2.565 2.352 2.795 . 0 0 "[ . 1 . 2]" 1
1082 1 47 LEU H 1 83 THR MG 3.900 . 3.900 3.191 2.984 3.408 . 0 0 "[ . 1 . 2]" 1
1083 1 47 LEU H 1 85 ILE MD 5.000 . 5.000 4.697 4.496 4.995 . 0 0 "[ . 1 . 2]" 1
1084 1 47 LEU HA 1 48 LYS H 2.900 . 2.900 2.130 2.112 2.145 . 0 0 "[ . 1 . 2]" 1
1085 1 47 LEU QB 1 48 LYS H 3.600 . 3.600 3.328 3.260 3.414 . 0 0 "[ . 1 . 2]" 1
1086 1 47 LEU QB 1 84 LYS H 5.500 . 5.500 4.378 4.178 4.551 . 0 0 "[ . 1 . 2]" 1
1087 1 47 LEU QB 1 84 LYS HA 5.200 . 5.200 4.776 4.636 4.977 . 0 0 "[ . 1 . 2]" 1
1088 1 47 LEU QB 1 85 ILE MD 4.000 . 4.000 2.684 2.404 3.060 . 0 0 "[ . 1 . 2]" 1
1089 1 47 LEU QD 1 54 PHE HA 4.200 . 4.200 4.174 3.959 4.421 0.221 16 0 "[ . 1 . 2]" 1
1090 1 47 LEU QD 1 54 PHE HB2 3.700 . 3.700 2.503 2.313 2.721 . 0 0 "[ . 1 . 2]" 1
1091 1 47 LEU QD 1 54 PHE HB3 3.800 . 3.800 3.504 3.338 3.675 . 0 0 "[ . 1 . 2]" 1
1092 1 47 LEU QD 1 54 PHE QE 3.800 . 3.800 3.015 2.772 3.128 . 0 0 "[ . 1 . 2]" 1
1093 1 47 LEU QD 1 58 CYS HA 5.400 . 5.400 5.026 4.889 5.210 . 0 0 "[ . 1 . 2]" 1
1094 1 47 LEU QD 1 73 CYS HB2 4.800 . 4.800 3.485 3.171 3.773 . 0 0 "[ . 1 . 2]" 1
1095 1 47 LEU QD 1 73 CYS HB3 4.800 . 4.800 3.756 3.614 3.851 . 0 0 "[ . 1 . 2]" 1
1096 1 48 LYS H 1 48 LYS QD 3.200 . 3.200 4.010 1.857 4.562 1.362 5 18 "[****+*****-****** *2]" 1
1097 1 48 LYS H 1 48 LYS QG 3.700 . 3.700 2.787 2.384 3.123 . 0 0 "[ . 1 . 2]" 1
1098 1 48 LYS H 1 49 TRP H 4.600 . 4.600 4.455 4.397 4.510 . 0 0 "[ . 1 . 2]" 1
1099 1 48 LYS H 1 85 ILE MD 4.000 . 4.000 3.979 3.860 4.148 0.148 15 0 "[ . 1 . 2]" 1
1100 1 48 LYS HA 1 48 LYS QG 3.600 . 3.600 2.806 2.501 3.290 . 0 0 "[ . 1 . 2]" 1
1101 1 48 LYS HA 1 49 TRP H 2.600 . 2.600 2.274 2.173 2.424 . 0 0 "[ . 1 . 2]" 1
1102 1 48 LYS HA 1 49 TRP HA 4.800 . 4.800 4.327 4.305 4.371 . 0 0 "[ . 1 . 2]" 1
1103 1 48 LYS HA 1 49 TRP HD1 4.700 . 4.700 4.396 4.203 4.569 . 0 0 "[ . 1 . 2]" 1
1104 1 48 LYS HA 1 85 ILE MD 3.500 . 3.500 2.760 2.340 3.069 . 0 0 "[ . 1 . 2]" 1
1105 1 48 LYS QB 1 49 TRP H 3.000 . 3.000 2.759 2.481 3.017 0.017 16 0 "[ . 1 . 2]" 1
1106 1 48 LYS QB 1 49 TRP HD1 4.800 . 4.800 5.249 4.786 5.533 0.733 14 9 "[ * ** 1 - +*** *2]" 1
1107 1 48 LYS QG 1 49 TRP H 4.300 . 4.300 4.433 4.328 4.617 0.317 9 0 "[ . 1 . 2]" 1
1108 1 49 TRP H 1 49 TRP HB2 2.800 . 2.800 2.329 2.252 2.368 . 0 0 "[ . 1 . 2]" 1
1109 1 49 TRP H 1 49 TRP HB3 3.800 . 3.800 3.569 3.547 3.583 . 0 0 "[ . 1 . 2]" 1
1110 1 49 TRP H 1 49 TRP HD1 3.000 . 3.000 2.962 2.806 3.246 0.246 6 0 "[ . 1 . 2]" 1
1111 1 49 TRP H 1 49 TRP HE1 5.000 . 5.000 4.864 4.700 5.227 0.227 6 0 "[ . 1 . 2]" 1
1112 1 49 TRP H 1 50 GLN H 4.700 . 4.700 4.472 4.393 4.508 . 0 0 "[ . 1 . 2]" 1
1113 1 49 TRP H 1 50 GLN QG 4.500 . 4.500 4.109 3.904 4.652 0.152 13 0 "[ . 1 . 2]" 1
1114 1 49 TRP H 1 85 ILE MD 3.200 . 3.200 3.055 2.886 3.308 0.108 6 0 "[ . 1 . 2]" 1
1115 1 49 TRP H 1 85 ILE QG 5.300 . 5.300 4.983 4.783 5.290 . 0 0 "[ . 1 . 2]" 1
1116 1 49 TRP HA 1 49 TRP HD1 4.600 . 4.600 4.296 4.259 4.342 . 0 0 "[ . 1 . 2]" 1
1117 1 49 TRP HA 1 49 TRP HE3 3.200 . 3.200 2.495 2.373 2.607 . 0 0 "[ . 1 . 2]" 1
1118 1 49 TRP HA 1 49 TRP HZ3 5.200 . 5.200 4.624 4.515 4.728 . 0 0 "[ . 1 . 2]" 1
1119 1 49 TRP HA 1 50 GLN H 3.300 . 3.300 2.697 2.646 2.793 . 0 0 "[ . 1 . 2]" 1
1120 1 49 TRP HA 1 50 GLN HA 4.900 . 4.900 4.610 4.569 4.647 . 0 0 "[ . 1 . 2]" 1
1121 1 49 TRP HA 1 51 GLY H 3.800 . 3.800 3.705 3.258 4.097 0.297 4 0 "[ . 1 . 2]" 1
1122 1 49 TRP HA 1 85 ILE MD 4.900 . 4.900 3.532 3.397 3.693 . 0 0 "[ . 1 . 2]" 1
1123 1 49 TRP HB2 1 49 TRP HD1 2.900 . 2.900 2.551 2.541 2.565 . 0 0 "[ . 1 . 2]" 1
1124 1 49 TRP HB2 1 50 GLN H 3.400 . 3.400 3.196 3.093 3.279 . 0 0 "[ . 1 . 2]" 1
1125 1 49 TRP HB2 1 50 GLN QG 4.400 . 4.400 3.281 2.852 4.176 . 0 0 "[ . 1 . 2]" 1
1126 1 49 TRP HB2 1 51 GLY H 5.500 . 5.500 5.632 5.269 5.949 0.449 4 0 "[ . 1 . 2]" 1
1127 1 49 TRP HB2 1 85 ILE MD 5.400 . 5.400 4.105 4.009 4.215 . 0 0 "[ . 1 . 2]" 1
1128 1 49 TRP HB3 1 49 TRP HD1 3.800 . 3.800 3.673 3.633 3.701 . 0 0 "[ . 1 . 2]" 1
1129 1 49 TRP HB3 1 49 TRP HE3 3.800 . 3.800 2.855 2.801 2.912 . 0 0 "[ . 1 . 2]" 1
1130 1 49 TRP HB3 1 50 GLN H 2.900 . 2.900 1.836 1.770 1.881 0.030 3 0 "[ . 1 . 2]" 1
1131 1 49 TRP HB3 1 50 GLN QG 4.200 . 4.200 3.542 3.098 4.280 0.080 13 0 "[ . 1 . 2]" 1
1132 1 49 TRP HB3 1 51 GLY H 4.800 . 4.800 4.734 4.461 4.986 0.186 4 0 "[ . 1 . 2]" 1
1133 1 49 TRP HB3 1 85 ILE MD 5.500 . 5.500 4.608 4.515 4.725 . 0 0 "[ . 1 . 2]" 1
1134 1 49 TRP HD1 1 85 ILE MD 3.400 . 3.400 2.845 2.686 3.022 . 0 0 "[ . 1 . 2]" 1
1135 1 49 TRP HD1 1 89 ASP HB3 4.800 . 4.800 4.089 3.851 4.298 . 0 0 "[ . 1 . 2]" 1
1136 1 49 TRP HE1 1 85 ILE MD 5.500 . 5.500 2.554 2.419 2.698 . 0 0 "[ . 1 . 2]" 1
1137 1 49 TRP HE1 1 86 ASN H 4.800 . 4.800 3.958 3.724 4.340 . 0 0 "[ . 1 . 2]" 1
1138 1 49 TRP HE1 1 89 ASP H 4.800 . 4.800 4.543 4.250 4.703 . 0 0 "[ . 1 . 2]" 1
1139 1 49 TRP HE1 1 89 ASP HB2 5.500 . 5.500 3.092 2.756 3.318 . 0 0 "[ . 1 . 2]" 1
1140 1 49 TRP HE1 1 89 ASP HB3 5.500 . 5.500 2.483 2.049 2.745 . 0 0 "[ . 1 . 2]" 1
1141 1 49 TRP HE1 1 90 HIS H 5.100 . 5.100 4.937 4.449 5.226 0.126 1 0 "[ . 1 . 2]" 1
1142 1 49 TRP HE3 1 50 GLN H 3.700 . 3.700 2.981 2.823 3.152 . 0 0 "[ . 1 . 2]" 1
1143 1 49 TRP HE3 1 100 TYR QD 3.600 . 3.600 3.665 3.182 3.948 0.348 12 0 "[ . 1 . 2]" 1
1144 1 49 TRP HE3 1 100 TYR QE 3.300 . 3.300 2.433 2.339 2.620 . 0 0 "[ . 1 . 2]" 1
1145 1 49 TRP HH2 1 87 LEU HA 4.000 . 4.000 2.531 2.342 2.807 . 0 0 "[ . 1 . 2]" 1
1146 1 49 TRP HH2 1 87 LEU HB3 4.700 . 4.700 3.912 3.783 4.214 . 0 0 "[ . 1 . 2]" 1
1147 1 49 TRP HH2 1 87 LEU MD2 3.500 . 3.500 2.217 2.063 2.583 . 0 0 "[ . 1 . 2]" 1
1148 1 49 TRP HH2 1 90 HIS H 4.500 . 4.500 4.645 4.340 4.967 0.467 1 0 "[ . 1 . 2]" 1
1149 1 49 TRP HH2 1 91 ILE MD 3.800 . 3.800 2.752 2.409 2.940 . 0 0 "[ . 1 . 2]" 1
1150 1 49 TRP HH2 1 91 ILE QG 3.700 . 3.700 2.364 2.209 2.510 . 0 0 "[ . 1 . 2]" 1
1151 1 49 TRP HZ2 1 85 ILE MD 4.400 . 4.400 3.367 3.161 3.602 . 0 0 "[ . 1 . 2]" 1
1152 1 49 TRP HZ2 1 86 ASN H 5.300 . 5.300 4.501 4.267 4.885 . 0 0 "[ . 1 . 2]" 1
1153 1 49 TRP HZ2 1 87 LEU H 4.600 . 4.600 4.175 3.973 4.388 . 0 0 "[ . 1 . 2]" 1
1154 1 49 TRP HZ2 1 87 LEU HA 3.000 . 3.000 2.218 2.181 2.254 . 0 0 "[ . 1 . 2]" 1
1155 1 49 TRP HZ2 1 87 LEU MD2 3.500 . 3.500 3.027 2.711 3.310 . 0 0 "[ . 1 . 2]" 1
1156 1 49 TRP HZ2 1 89 ASP HB2 3.900 . 3.900 3.930 3.726 4.149 0.249 5 0 "[ . 1 . 2]" 1
1157 1 49 TRP HZ2 1 89 ASP HB3 3.600 . 3.600 3.301 2.951 3.649 0.049 13 0 "[ . 1 . 2]" 1
1158 1 49 TRP HZ2 1 90 HIS H 3.800 . 3.800 3.993 3.537 4.345 0.545 1 1 "[+ . 1 . 2]" 1
1159 1 49 TRP HZ2 1 91 ILE QG 4.800 . 4.800 3.699 3.404 3.867 . 0 0 "[ . 1 . 2]" 1
1160 1 49 TRP HZ3 1 87 LEU HA 5.200 . 5.200 4.968 4.751 5.272 0.072 15 0 "[ . 1 . 2]" 1
1161 1 49 TRP HZ3 1 91 ILE MD 3.600 . 3.600 2.542 2.332 2.837 . 0 0 "[ . 1 . 2]" 1
1162 1 49 TRP HZ3 1 91 ILE QG 4.400 . 4.400 3.567 3.311 3.939 . 0 0 "[ . 1 . 2]" 1
1163 1 49 TRP HZ3 1 100 TYR QE 4.600 . 4.600 3.526 3.384 3.840 . 0 0 "[ . 1 . 2]" 1
1164 1 50 GLN H 1 50 GLN HA 2.600 . 2.600 2.322 2.303 2.348 . 0 0 "[ . 1 . 2]" 1
1165 1 50 GLN H 1 50 GLN QG 4.200 . 4.200 3.187 2.924 3.618 . 0 0 "[ . 1 . 2]" 1
1166 1 50 GLN H 1 51 GLY H 3.000 . 3.000 3.135 2.933 3.357 0.357 6 0 "[ . 1 . 2]" 1
1167 1 50 GLN H 1 100 TYR QD 5.500 . 5.500 5.211 4.707 5.512 0.012 18 0 "[ . 1 . 2]" 1
1168 1 50 GLN H 1 100 TYR QE 4.500 . 4.500 3.506 3.112 3.867 . 0 0 "[ . 1 . 2]" 1
1169 1 50 GLN HA 1 50 GLN QG 3.400 . 3.400 3.342 3.307 3.445 0.045 19 0 "[ . 1 . 2]" 1
1170 1 50 GLN HA 1 51 GLY H 3.200 . 3.200 2.628 2.438 2.856 . 0 0 "[ . 1 . 2]" 1
1171 1 50 GLN QB 1 51 GLY H 4.100 . 4.100 4.014 3.939 4.059 . 0 0 "[ . 1 . 2]" 1
1172 1 51 GLY H 1 52 SER H 4.600 . 4.600 4.387 4.353 4.417 . 0 0 "[ . 1 . 2]" 1
1173 1 51 GLY H 1 52 SER HA 4.900 . 4.900 4.806 4.720 4.915 0.015 10 0 "[ . 1 . 2]" 1
1174 1 51 GLY QA 1 52 SER H 2.500 . 2.500 2.277 2.261 2.289 . 0 0 "[ . 1 . 2]" 1
1175 1 51 GLY HA2 1 52 SER H 2.900 . 2.900 2.568 2.479 2.672 . 0 0 "[ . 1 . 2]" 1
1176 1 51 GLY HA3 1 52 SER H 2.900 . 2.900 2.551 2.469 2.627 . 0 0 "[ . 1 . 2]" 1
1177 1 52 SER H 1 53 ASN H 4.600 . 4.600 4.384 4.360 4.415 . 0 0 "[ . 1 . 2]" 1
1178 1 52 SER H 1 53 ASN QB 4.500 . 4.500 4.201 4.108 4.252 . 0 0 "[ . 1 . 2]" 1
1179 1 52 SER HA 1 53 ASN H 2.800 . 2.800 2.512 2.427 2.559 . 0 0 "[ . 1 . 2]" 1
1180 1 52 SER HA 1 54 PHE H 4.000 . 4.000 3.874 3.724 4.009 0.009 20 0 "[ . 1 . 2]" 1
1181 1 52 SER QB 1 53 ASN H 2.700 . 2.700 2.178 2.074 2.319 . 0 0 "[ . 1 . 2]" 1
1182 1 52 SER QB 1 53 ASN HA 4.200 . 4.200 4.029 3.959 4.099 . 0 0 "[ . 1 . 2]" 1
1183 1 52 SER QB 1 53 ASN QB 4.400 . 4.400 3.585 3.270 3.806 . 0 0 "[ . 1 . 2]" 1
1184 1 52 SER QB 1 54 PHE H 4.800 . 4.800 4.680 4.585 4.794 . 0 0 "[ . 1 . 2]" 1
1185 1 52 SER HB2 1 53 ASN H 3.300 . 3.300 2.201 2.092 2.352 . 0 0 "[ . 1 . 2]" 1
1186 1 52 SER HB2 1 54 PHE H 5.500 . 5.500 4.933 4.833 5.063 . 0 0 "[ . 1 . 2]" 1
1187 1 52 SER HB3 1 53 ASN H 3.300 . 3.300 3.467 3.393 3.575 0.275 20 0 "[ . 1 . 2]" 1
1188 1 52 SER HB3 1 54 PHE H 5.500 . 5.500 5.822 5.700 5.980 0.480 20 0 "[ . 1 . 2]" 1
1189 1 53 ASN H 1 53 ASN HA 2.500 . 2.500 2.280 2.263 2.298 . 0 0 "[ . 1 . 2]" 1
1190 1 53 ASN H 1 53 ASN QB 3.300 . 3.300 3.142 2.946 3.266 . 0 0 "[ . 1 . 2]" 1
1191 1 53 ASN H 1 54 PHE H 3.000 . 3.000 2.820 2.765 2.881 . 0 0 "[ . 1 . 2]" 1
1192 1 53 ASN H 1 55 ILE H 4.400 . 4.400 4.428 4.341 4.536 0.136 16 0 "[ . 1 . 2]" 1
1193 1 53 ASN H 1 55 ILE MG 4.700 . 4.700 4.298 4.211 4.452 . 0 0 "[ . 1 . 2]" 1
1194 1 53 ASN HA 1 53 ASN QD 4.300 . 4.300 2.924 2.111 3.818 . 0 0 "[ . 1 . 2]" 1
1195 1 53 ASN HA 1 54 PHE HA 5.200 . 5.200 4.515 4.475 4.567 . 0 0 "[ . 1 . 2]" 1
1196 1 53 ASN HA 1 55 ILE H 5.500 . 5.500 3.778 3.674 3.908 . 0 0 "[ . 1 . 2]" 1
1197 1 53 ASN HA 1 56 GLU H 4.000 . 4.000 3.542 3.411 3.706 . 0 0 "[ . 1 . 2]" 1
1198 1 53 ASN QB 1 53 ASN QD 2.800 . 2.800 2.336 2.166 2.668 . 0 0 "[ . 1 . 2]" 1
1199 1 53 ASN QB 1 54 PHE H 4.200 . 4.200 3.977 3.921 4.012 . 0 0 "[ . 1 . 2]" 1
1200 1 53 ASN QB 1 56 GLU QB 4.500 . 4.500 3.950 3.108 4.676 0.176 10 0 "[ . 1 . 2]" 1
1201 1 53 ASN QB 1 56 GLU QG 4.600 . 4.600 3.591 2.321 4.663 0.063 8 0 "[ . 1 . 2]" 1
1202 1 53 ASN QD 1 56 GLU QB 4.600 . 4.600 2.986 2.062 3.814 . 0 0 "[ . 1 . 2]" 1
1203 1 53 ASN QD 1 56 GLU QG 3.100 . 3.100 2.550 1.799 3.378 0.278 5 0 "[ . 1 . 2]" 1
1204 1 53 ASN HD21 1 56 GLU QG 3.500 . 3.500 2.805 1.816 3.830 0.330 8 0 "[ . 1 . 2]" 1
1205 1 53 ASN HD22 1 56 GLU QG 3.500 . 3.500 3.362 2.301 4.357 0.857 17 3 "[* - 1 . + 2]" 1
1206 1 54 PHE H 1 54 PHE HB3 2.900 . 2.900 2.625 2.541 2.717 . 0 0 "[ . 1 . 2]" 1
1207 1 54 PHE H 1 54 PHE QE 4.700 . 4.700 4.629 4.565 4.666 . 0 0 "[ . 1 . 2]" 1
1208 1 54 PHE H 1 55 ILE H 2.800 . 2.800 1.973 1.857 2.071 . 0 0 "[ . 1 . 2]" 1
1209 1 54 PHE H 1 55 ILE MG 4.000 . 4.000 3.110 2.969 3.266 . 0 0 "[ . 1 . 2]" 1
1210 1 54 PHE H 1 56 GLU H 4.100 . 4.100 3.522 3.293 3.674 . 0 0 "[ . 1 . 2]" 1
1211 1 54 PHE HA 1 54 PHE HB2 3.000 . 3.000 2.317 2.311 2.323 . 0 0 "[ . 1 . 2]" 1
1212 1 54 PHE HA 1 56 GLU H 3.900 . 3.900 4.146 3.935 4.255 0.355 14 0 "[ . 1 . 2]" 1
1213 1 54 PHE HA 1 57 ALA H 4.100 . 4.100 3.551 3.402 3.824 . 0 0 "[ . 1 . 2]" 1
1214 1 54 PHE HA 1 57 ALA MB 3.900 . 3.900 3.391 3.235 3.528 . 0 0 "[ . 1 . 2]" 1
1215 1 54 PHE HA 1 58 CYS H 4.800 . 4.800 5.176 4.961 5.363 0.563 10 4 "[ - . +* * . 2]" 1
1216 1 54 PHE HB3 1 55 ILE H 4.200 . 4.200 3.629 3.560 3.719 . 0 0 "[ . 1 . 2]" 1
1217 1 54 PHE QE 1 55 ILE H 4.300 . 4.300 4.029 3.956 4.119 . 0 0 "[ . 1 . 2]" 1
1218 1 54 PHE QE 1 55 ILE HA 4.200 . 4.200 3.480 3.361 3.592 . 0 0 "[ . 1 . 2]" 1
1219 1 54 PHE QE 1 55 ILE HB 4.000 . 4.000 3.641 3.523 3.765 . 0 0 "[ . 1 . 2]" 1
1220 1 54 PHE QE 1 58 CYS HA 5.500 . 5.500 5.540 5.368 5.791 0.291 2 0 "[ . 1 . 2]" 1
1221 1 54 PHE QE 1 58 CYS QB 3.500 . 3.500 2.730 2.602 2.887 . 0 0 "[ . 1 . 2]" 1
1222 1 54 PHE QE 1 59 ARG H 5.500 . 5.500 5.350 5.136 5.560 0.060 15 0 "[ . 1 . 2]" 1
1223 1 54 PHE QE 1 61 THR HB 5.000 . 5.000 4.452 4.026 4.899 . 0 0 "[ . 1 . 2]" 1
1224 1 54 PHE QE 1 61 THR MG 3.200 . 3.200 2.609 2.223 2.996 . 0 0 "[ . 1 . 2]" 1
1225 1 54 PHE QE 1 69 LEU MD1 4.000 . 4.000 3.466 3.278 3.645 . 0 0 "[ . 1 . 2]" 1
1226 1 54 PHE HZ 1 55 ILE HB 4.200 . 4.200 3.882 3.697 4.099 . 0 0 "[ . 1 . 2]" 1
1227 1 54 PHE HZ 1 58 CYS QB 5.000 . 5.000 4.698 4.405 4.914 . 0 0 "[ . 1 . 2]" 1
1228 1 54 PHE HZ 1 61 THR HB 4.600 . 4.600 4.458 4.166 4.715 0.115 2 0 "[ . 1 . 2]" 1
1229 1 54 PHE HZ 1 61 THR MG 4.300 . 4.300 3.249 2.683 3.595 . 0 0 "[ . 1 . 2]" 1
1230 1 54 PHE HZ 1 69 LEU MD1 3.500 . 3.500 3.793 3.665 4.113 0.613 4 1 "[ +. 1 . 2]" 1
1231 1 55 ILE H 1 55 ILE MD 4.100 . 4.100 4.034 3.958 4.090 . 0 0 "[ . 1 . 2]" 1
1232 1 55 ILE H 1 55 ILE HG12 4.700 . 4.700 4.689 4.657 4.721 0.021 17 0 "[ . 1 . 2]" 1
1233 1 55 ILE H 1 55 ILE HG13 4.600 . 4.600 4.495 4.461 4.510 . 0 0 "[ . 1 . 2]" 1
1234 1 55 ILE H 1 55 ILE MG 2.400 . 2.400 2.016 1.878 2.104 . 0 0 "[ . 1 . 2]" 1
1235 1 55 ILE H 1 56 GLU H 2.900 . 2.900 2.570 2.402 2.695 . 0 0 "[ . 1 . 2]" 1
1236 1 55 ILE H 1 56 GLU HA 5.400 . 5.400 5.183 5.052 5.283 . 0 0 "[ . 1 . 2]" 1
1237 1 55 ILE H 1 56 GLU QB 5.100 . 5.100 4.535 3.989 4.923 . 0 0 "[ . 1 . 2]" 1
1238 1 55 ILE H 1 56 GLU QG 5.000 . 5.000 4.321 3.740 6.066 1.066 5 2 "[ + 1 . - 2]" 1
1239 1 55 ILE H 1 57 ALA H 4.300 . 4.300 4.053 3.873 4.149 . 0 0 "[ . 1 . 2]" 1
1240 1 55 ILE H 1 57 ALA MB 5.500 . 5.500 5.358 5.232 5.448 . 0 0 "[ . 1 . 2]" 1
1241 1 55 ILE HA 1 55 ILE HB 2.800 . 2.800 2.485 2.461 2.517 . 0 0 "[ . 1 . 2]" 1
1242 1 55 ILE HA 1 55 ILE MD 2.800 . 2.800 2.106 2.091 2.133 . 0 0 "[ . 1 . 2]" 1
1243 1 55 ILE HA 1 55 ILE HG12 3.900 . 3.900 3.723 3.708 3.742 . 0 0 "[ . 1 . 2]" 1
1244 1 55 ILE HA 1 55 ILE HG13 3.800 . 3.800 3.089 2.969 3.198 . 0 0 "[ . 1 . 2]" 1
1245 1 55 ILE HA 1 56 GLU QG 5.500 . 5.500 5.300 4.812 6.557 1.057 17 2 "[ - 1 . + 2]" 1
1246 1 55 ILE HA 1 57 ALA H 4.000 . 4.000 3.734 3.314 3.973 . 0 0 "[ . 1 . 2]" 1
1247 1 55 ILE HA 1 57 ALA MB 5.500 . 5.500 5.183 5.015 5.301 . 0 0 "[ . 1 . 2]" 1
1248 1 55 ILE HA 1 58 CYS H 3.100 . 3.100 3.027 2.856 3.155 0.055 20 0 "[ . 1 . 2]" 1
1249 1 55 ILE HA 1 58 CYS QB 3.500 . 3.500 2.337 2.269 2.393 . 0 0 "[ . 1 . 2]" 1
1250 1 55 ILE HA 1 59 ARG H 5.500 . 5.500 5.365 5.221 5.494 . 0 0 "[ . 1 . 2]" 1
1251 1 55 ILE HB 1 58 CYS QB 5.500 . 5.500 4.436 4.244 4.594 . 0 0 "[ . 1 . 2]" 1
1252 1 55 ILE MD 1 56 GLU H 4.700 . 4.700 4.493 4.399 4.622 . 0 0 "[ . 1 . 2]" 1
1253 1 55 ILE MD 1 57 ALA H 5.100 . 5.100 4.845 4.403 5.164 0.064 20 0 "[ . 1 . 2]" 1
1254 1 55 ILE MD 1 58 CYS H 4.100 . 4.100 3.513 3.265 3.820 . 0 0 "[ . 1 . 2]" 1
1255 1 55 ILE MD 1 58 CYS QB 4.000 . 4.000 2.924 2.657 3.175 . 0 0 "[ . 1 . 2]" 1
1256 1 55 ILE MD 1 59 ARG H 5.400 . 5.400 4.372 4.159 4.522 . 0 0 "[ . 1 . 2]" 1
1257 1 55 ILE MD 1 60 ASN H 5.500 . 5.500 4.868 4.651 5.094 . 0 0 "[ . 1 . 2]" 1
1258 1 55 ILE MD 1 61 THR H 5.200 . 5.200 4.702 4.512 4.903 . 0 0 "[ . 1 . 2]" 1
1259 1 55 ILE HG12 1 56 GLU HA 5.500 . 5.500 5.304 5.201 5.440 . 0 0 "[ . 1 . 2]" 1
1260 1 55 ILE HG13 1 56 GLU H 4.600 . 4.600 3.909 3.782 4.101 . 0 0 "[ . 1 . 2]" 1
1261 1 55 ILE HG13 1 56 GLU HA 4.800 . 4.800 3.793 3.622 4.048 . 0 0 "[ . 1 . 2]" 1
1262 1 55 ILE MG 1 56 GLU H 2.800 . 2.800 2.022 1.968 2.154 . 0 0 "[ . 1 . 2]" 1
1263 1 55 ILE MG 1 56 GLU HA 3.900 . 3.900 3.082 3.024 3.185 . 0 0 "[ . 1 . 2]" 1
1264 1 55 ILE MG 1 56 GLU QG 4.300 . 4.300 2.978 2.314 4.666 0.366 5 0 "[ . 1 . 2]" 1
1265 1 55 ILE MG 1 57 ALA H 4.500 . 4.500 4.126 3.987 4.249 . 0 0 "[ . 1 . 2]" 1
1266 1 55 ILE MG 1 58 CYS H 4.900 . 4.900 4.625 4.544 4.720 . 0 0 "[ . 1 . 2]" 1
1267 1 55 ILE MG 1 58 CYS QB 5.500 . 5.500 4.819 4.657 4.958 . 0 0 "[ . 1 . 2]" 1
1268 1 56 GLU H 1 56 GLU HA 2.900 . 2.900 2.786 2.765 2.821 . 0 0 "[ . 1 . 2]" 1
1269 1 56 GLU H 1 56 GLU HB2 3.600 . 3.600 2.803 2.311 3.609 0.009 19 0 "[ . 1 . 2]" 1
1270 1 56 GLU H 1 56 GLU QB 2.700 . 2.700 2.385 2.046 2.599 . 0 0 "[ . 1 . 2]" 1
1271 1 56 GLU H 1 56 GLU HB3 3.600 . 3.600 3.127 2.100 3.605 0.005 14 0 "[ . 1 . 2]" 1
1272 1 56 GLU H 1 56 GLU QG 3.100 . 3.100 2.474 2.099 4.013 0.913 17 2 "[ - 1 . + 2]" 1
1273 1 56 GLU H 1 57 ALA H 2.700 . 2.700 2.702 2.570 2.759 0.059 15 0 "[ . 1 . 2]" 1
1274 1 56 GLU H 1 57 ALA HA 5.500 . 5.500 5.358 5.268 5.401 . 0 0 "[ . 1 . 2]" 1
1275 1 56 GLU H 1 57 ALA MB 4.300 . 4.300 4.486 4.369 4.560 0.260 15 0 "[ . 1 . 2]" 1
1276 1 56 GLU HA 1 56 GLU QG 3.600 . 3.600 2.733 2.276 3.443 . 0 0 "[ . 1 . 2]" 1
1277 1 56 GLU HA 1 57 ALA HA 4.700 . 4.700 4.594 4.517 4.622 . 0 0 "[ . 1 . 2]" 1
1278 1 56 GLU HA 1 57 ALA MB 5.200 . 5.200 4.830 4.731 4.893 . 0 0 "[ . 1 . 2]" 1
1279 1 56 GLU HA 1 58 CYS H 4.500 . 4.500 4.081 3.925 4.190 . 0 0 "[ . 1 . 2]" 1
1280 1 56 GLU QB 1 58 CYS H 5.300 . 5.300 4.773 4.538 5.144 . 0 0 "[ . 1 . 2]" 1
1281 1 56 GLU HB2 1 57 ALA H 4.200 . 4.200 3.368 2.790 4.332 0.132 17 0 "[ . 1 . 2]" 1
1282 1 56 GLU HB3 1 57 ALA H 4.200 . 4.200 3.827 3.209 4.271 0.071 11 0 "[ . 1 . 2]" 1
1283 1 56 GLU QG 1 57 ALA H 4.500 . 4.500 3.632 1.930 4.336 . 0 0 "[ . 1 . 2]" 1
1284 1 56 GLU QG 1 58 CYS H 5.500 . 5.500 5.187 4.154 5.664 0.164 15 0 "[ . 1 . 2]" 1
1285 1 57 ALA H 1 57 ALA MB 2.800 . 2.800 2.411 2.339 2.559 . 0 0 "[ . 1 . 2]" 1
1286 1 57 ALA H 1 58 CYS H 2.500 . 2.500 2.398 2.108 2.546 0.046 14 0 "[ . 1 . 2]" 1
1287 1 57 ALA H 1 58 CYS QB 4.100 . 4.100 3.877 3.389 4.206 0.106 15 0 "[ . 1 . 2]" 1
1288 1 57 ALA MB 1 58 CYS H 3.400 . 3.400 3.543 3.487 3.594 0.194 13 0 "[ . 1 . 2]" 1
1289 1 57 ALA MB 1 58 CYS HA 5.200 . 5.200 4.268 4.225 4.312 . 0 0 "[ . 1 . 2]" 1
1290 1 57 ALA MB 1 58 CYS QB 5.100 . 5.100 4.258 3.977 4.500 . 0 0 "[ . 1 . 2]" 1
1291 1 57 ALA MB 1 73 CYS HA 4.800 . 4.800 4.103 3.893 4.260 . 0 0 "[ . 1 . 2]" 1
1292 1 57 ALA MB 1 73 CYS HB2 5.500 . 5.500 5.402 5.196 5.649 0.149 5 0 "[ . 1 . 2]" 1
1293 1 57 ALA MB 1 73 CYS HB3 4.300 . 4.300 4.014 3.826 4.196 . 0 0 "[ . 1 . 2]" 1
1294 1 57 ALA MB 1 74 LYS H 3.600 . 3.600 2.975 2.752 3.229 . 0 0 "[ . 1 . 2]" 1
1295 1 58 CYS H 1 58 CYS QB 2.800 . 2.800 2.697 2.536 2.826 0.026 20 0 "[ . 1 . 2]" 1
1296 1 58 CYS H 1 59 ARG H 4.600 . 4.600 4.437 4.403 4.464 . 0 0 "[ . 1 . 2]" 1
1297 1 58 CYS H 1 59 ARG HA 5.200 . 5.200 4.969 4.913 5.046 . 0 0 "[ . 1 . 2]" 1
1298 1 58 CYS H 1 73 CYS HA 4.800 . 4.800 4.705 4.552 4.811 0.011 7 0 "[ . 1 . 2]" 1
1299 1 58 CYS HA 1 59 ARG H 2.800 . 2.800 2.336 2.278 2.399 . 0 0 "[ . 1 . 2]" 1
1300 1 58 CYS HA 1 59 ARG QD 5.300 . 5.300 2.870 2.612 3.586 . 0 0 "[ . 1 . 2]" 1
1301 1 58 CYS HA 1 59 ARG QG 5.300 . 5.300 4.235 3.906 4.491 . 0 0 "[ . 1 . 2]" 1
1302 1 58 CYS HA 1 71 ALA MB 5.400 . 5.400 4.743 4.574 4.970 . 0 0 "[ . 1 . 2]" 1
1303 1 58 CYS HA 1 72 GLU H 5.000 . 5.000 4.635 4.131 4.904 . 0 0 "[ . 1 . 2]" 1
1304 1 58 CYS HA 1 72 GLU HB2 5.500 . 5.500 4.922 4.642 5.198 . 0 0 "[ . 1 . 2]" 1
1305 1 58 CYS HA 1 73 CYS H 4.700 . 4.700 4.751 4.516 4.830 0.130 20 0 "[ . 1 . 2]" 1
1306 1 58 CYS HA 1 73 CYS HA 2.900 . 2.900 2.320 2.258 2.372 . 0 0 "[ . 1 . 2]" 1
1307 1 58 CYS HA 1 73 CYS HB2 5.100 . 5.100 5.028 4.853 5.167 0.067 9 0 "[ . 1 . 2]" 1
1308 1 58 CYS HA 1 73 CYS HB3 4.700 . 4.700 4.591 4.377 4.730 0.030 3 0 "[ . 1 . 2]" 1
1309 1 58 CYS HA 1 74 LYS H 3.800 . 3.800 3.549 3.368 3.652 . 0 0 "[ . 1 . 2]" 1
1310 1 58 CYS HA 1 80 PHE QD 4.400 . 4.400 3.647 3.370 3.803 . 0 0 "[ . 1 . 2]" 1
1311 1 58 CYS HA 1 80 PHE QE 3.600 . 3.600 2.496 2.315 2.838 . 0 0 "[ . 1 . 2]" 1
1312 1 58 CYS HA 1 80 PHE HZ 5.200 . 5.200 4.631 4.354 5.060 . 0 0 "[ . 1 . 2]" 1
1313 1 58 CYS QB 1 59 ARG H 2.900 . 2.900 2.649 2.416 2.884 . 0 0 "[ . 1 . 2]" 1
1314 1 58 CYS QB 1 59 ARG QG 5.500 . 5.500 4.920 4.567 5.269 . 0 0 "[ . 1 . 2]" 1
1315 1 58 CYS QB 1 71 ALA H 5.500 . 5.500 6.536 6.032 6.934 1.434 14 20 [*****-*******+******] 1
1316 1 58 CYS QB 1 71 ALA MB 3.200 . 3.200 3.099 2.771 3.336 0.136 13 0 "[ . 1 . 2]" 1
1317 1 58 CYS QB 1 72 GLU H 3.900 . 3.900 3.973 3.557 4.329 0.429 3 0 "[ . 1 . 2]" 1
1318 1 58 CYS QB 1 73 CYS HA 3.800 . 3.800 3.405 3.071 3.724 . 0 0 "[ . 1 . 2]" 1
1319 1 59 ARG H 1 59 ARG QB 3.600 . 3.600 3.240 3.178 3.273 . 0 0 "[ . 1 . 2]" 1
1320 1 59 ARG H 1 59 ARG QD 4.200 . 4.200 2.663 2.154 3.549 . 0 0 "[ . 1 . 2]" 1
1321 1 59 ARG H 1 59 ARG HE 4.900 . 4.900 4.311 4.028 4.675 . 0 0 "[ . 1 . 2]" 1
1322 1 59 ARG H 1 59 ARG QG 3.000 . 3.000 2.679 2.480 2.983 . 0 0 "[ . 1 . 2]" 1
1323 1 59 ARG H 1 60 ASN H 4.800 . 4.800 4.374 4.360 4.390 . 0 0 "[ . 1 . 2]" 1
1324 1 59 ARG H 1 61 THR MG 4.800 . 4.800 3.675 3.409 4.069 . 0 0 "[ . 1 . 2]" 1
1325 1 59 ARG H 1 71 ALA HA 5.500 . 5.500 5.092 4.769 5.405 . 0 0 "[ . 1 . 2]" 1
1326 1 59 ARG H 1 71 ALA MB 3.500 . 3.500 3.575 3.335 3.783 0.283 19 0 "[ . 1 . 2]" 1
1327 1 59 ARG H 1 72 GLU H 3.300 . 3.300 2.984 2.593 3.289 . 0 0 "[ . 1 . 2]" 1
1328 1 59 ARG H 1 72 GLU HA 5.400 . 5.400 4.864 4.731 4.980 . 0 0 "[ . 1 . 2]" 1
1329 1 59 ARG H 1 72 GLU HB2 3.900 . 3.900 3.461 3.122 3.663 . 0 0 "[ . 1 . 2]" 1
1330 1 59 ARG H 1 73 CYS HA 4.100 . 4.100 3.947 3.865 4.046 . 0 0 "[ . 1 . 2]" 1
1331 1 59 ARG H 1 74 LYS H 5.500 . 5.500 5.581 5.419 5.764 0.264 17 0 "[ . 1 . 2]" 1
1332 1 59 ARG H 1 80 PHE QD 4.300 . 4.300 4.362 4.097 4.652 0.352 16 0 "[ . 1 . 2]" 1
1333 1 59 ARG H 1 80 PHE QE 3.700 . 3.700 4.011 3.677 4.467 0.767 12 5 "[ . 1 +**.*- 2]" 1
1334 1 59 ARG H 1 80 PHE HZ 5.500 . 5.500 5.796 5.368 6.373 0.873 13 7 "[ * . - *+*.** 2]" 1
1335 1 59 ARG HA 1 60 ASN H 3.200 . 3.200 2.545 2.464 2.593 . 0 0 "[ . 1 . 2]" 1
1336 1 59 ARG HA 1 61 THR H 4.500 . 4.500 3.982 3.820 4.183 . 0 0 "[ . 1 . 2]" 1
1337 1 59 ARG QB 1 59 ARG HE 4.400 . 4.400 4.373 4.228 4.418 0.018 10 0 "[ . 1 . 2]" 1
1338 1 59 ARG QB 1 80 PHE QE 3.900 . 3.900 4.570 4.267 4.740 0.840 9 18 "[********+*** -*****]" 1
1339 1 59 ARG QB 1 80 PHE HZ 4.800 . 4.800 4.929 4.736 5.072 0.272 5 0 "[ . 1 . 2]" 1
1340 1 59 ARG QD 1 80 PHE QD 4.400 . 4.400 3.335 2.815 3.743 . 0 0 "[ . 1 . 2]" 1
1341 1 59 ARG QD 1 80 PHE QE 3.800 . 3.800 2.495 2.383 2.667 . 0 0 "[ . 1 . 2]" 1
1342 1 59 ARG QD 1 80 PHE HZ 4.400 . 4.400 2.955 2.688 3.359 . 0 0 "[ . 1 . 2]" 1
1343 1 59 ARG HE 1 59 ARG QG . . 3.400 2.866 2.729 2.907 . 0 0 "[ . 1 . 2]" 1
1344 1 59 ARG HE 1 60 ASN QB 4.700 . 4.700 5.466 5.052 5.737 1.037 4 19 [*-*+**********.*****] 1
1345 1 59 ARG HE 1 60 ASN HD21 4.200 . 4.200 4.441 4.190 4.651 0.451 14 0 "[ . 1 . 2]" 1
1346 1 59 ARG HE 1 72 GLU H 5.500 . 5.500 5.518 5.116 5.764 0.264 18 0 "[ . 1 . 2]" 1
1347 1 59 ARG HE 1 72 GLU HB2 3.800 . 3.800 3.615 2.634 4.138 0.338 18 0 "[ . 1 . 2]" 1
1348 1 59 ARG HE 1 72 GLU HB3 4.800 . 4.800 3.098 2.395 3.554 . 0 0 "[ . 1 . 2]" 1
1349 1 59 ARG HE 1 80 PHE QD 4.800 . 4.800 2.589 2.375 2.769 . 0 0 "[ . 1 . 2]" 1
1350 1 59 ARG HE 1 80 PHE QE 5.200 . 5.200 3.090 2.739 3.645 . 0 0 "[ . 1 . 2]" 1
1351 1 59 ARG QG 1 60 ASN H 3.500 . 3.500 3.282 3.145 3.406 . 0 0 "[ . 1 . 2]" 1
1352 1 59 ARG QG 1 60 ASN QB 4.500 . 4.500 2.984 2.703 3.177 . 0 0 "[ . 1 . 2]" 1
1353 1 59 ARG QG 1 60 ASN HD21 3.900 . 3.900 2.198 1.822 2.634 . 0 0 "[ . 1 . 2]" 1
1354 1 59 ARG QG 1 71 ALA MB 5.000 . 5.000 4.990 4.686 5.200 0.200 15 0 "[ . 1 . 2]" 1
1355 1 59 ARG QG 1 72 GLU HB2 5.000 . 5.000 2.716 2.334 3.101 . 0 0 "[ . 1 . 2]" 1
1356 1 59 ARG QG 1 80 PHE QD 4.200 . 4.200 4.284 3.869 4.535 0.335 6 0 "[ . 1 . 2]" 1
1357 1 59 ARG QG 1 80 PHE QE 4.200 . 4.200 4.271 4.071 4.522 0.322 13 0 "[ . 1 . 2]" 1
1358 1 60 ASN H 1 60 ASN HA 2.500 . 2.500 2.303 2.294 2.310 . 0 0 "[ . 1 . 2]" 1
1359 1 60 ASN H 1 60 ASN QB 3.800 . 3.800 3.275 3.171 3.343 . 0 0 "[ . 1 . 2]" 1
1360 1 60 ASN H 1 61 THR H 3.100 . 3.100 3.018 2.884 3.213 0.113 2 0 "[ . 1 . 2]" 1
1361 1 60 ASN HA 1 61 THR H 2.700 . 2.700 2.601 2.523 2.644 . 0 0 "[ . 1 . 2]" 1
1362 1 60 ASN HA 1 72 GLU H 5.500 . 5.500 5.576 5.338 5.988 0.488 12 0 "[ . 1 . 2]" 1
1363 1 60 ASN QB 1 60 ASN HD22 3.800 . 3.800 3.293 3.273 3.316 . 0 0 "[ . 1 . 2]" 1
1364 1 60 ASN QB 1 61 THR H . . 4.400 3.926 3.897 3.942 . 0 0 "[ . 1 . 2]" 1
1365 1 60 ASN QB 1 71 ALA HA 4.800 . 4.800 3.682 3.422 4.029 . 0 0 "[ . 1 . 2]" 1
1366 1 60 ASN QB 1 72 GLU H 4.600 . 4.600 3.361 2.938 3.847 . 0 0 "[ . 1 . 2]" 1
1367 1 60 ASN QB 1 72 GLU HG2 5.500 . 5.500 4.871 4.565 5.063 . 0 0 "[ . 1 . 2]" 1
1368 1 60 ASN QB 1 72 GLU HG3 4.900 . 4.900 3.396 2.955 3.631 . 0 0 "[ . 1 . 2]" 1
1369 1 61 THR H 1 61 THR HB 3.900 . 3.900 3.644 3.521 3.698 . 0 0 "[ . 1 . 2]" 1
1370 1 61 THR H 1 61 THR MG 2.900 . 2.900 2.457 2.196 2.954 0.054 5 0 "[ . 1 . 2]" 1
1371 1 61 THR H 1 62 GLN H 4.800 . 4.800 4.525 4.509 4.557 . 0 0 "[ . 1 . 2]" 1
1372 1 61 THR H 1 62 GLN QG 5.500 . 5.500 5.058 4.821 5.385 . 0 0 "[ . 1 . 2]" 1
1373 1 61 THR H 1 69 LEU MD2 5.300 . 5.300 5.113 4.858 5.256 . 0 0 "[ . 1 . 2]" 1
1374 1 61 THR H 1 71 ALA HA 5.200 . 5.200 4.814 4.689 5.027 . 0 0 "[ . 1 . 2]" 1
1375 1 61 THR H 1 71 ALA MB 4.200 . 4.200 4.145 3.878 4.389 0.189 12 0 "[ . 1 . 2]" 1
1376 1 61 THR HA 1 61 THR HB 3.000 . 3.000 2.440 2.335 2.670 . 0 0 "[ . 1 . 2]" 1
1377 1 61 THR HA 1 61 THR MG 3.700 . 3.700 2.458 2.296 2.599 . 0 0 "[ . 1 . 2]" 1
1378 1 61 THR HA 1 62 GLN H 2.400 . 2.400 2.222 2.175 2.253 . 0 0 "[ . 1 . 2]" 1
1379 1 61 THR HA 1 69 LEU MD2 4.400 . 4.400 3.149 2.802 3.531 . 0 0 "[ . 1 . 2]" 1
1380 1 61 THR HA 1 71 ALA HA 4.100 . 4.100 2.764 2.569 3.108 . 0 0 "[ . 1 . 2]" 1
1381 1 61 THR HA 1 71 ALA MB 3.800 . 3.800 2.310 2.137 2.741 . 0 0 "[ . 1 . 2]" 1
1382 1 61 THR HA 1 72 GLU H 5.000 . 5.000 4.409 4.225 4.656 . 0 0 "[ . 1 . 2]" 1
1383 1 61 THR HB 1 62 GLN H 3.200 . 3.200 3.137 2.984 3.293 0.093 16 0 "[ . 1 . 2]" 1
1384 1 61 THR HB 1 62 GLN HA 5.000 . 5.000 4.526 4.196 4.775 . 0 0 "[ . 1 . 2]" 1
1385 1 61 THR HB 1 69 LEU MD2 3.100 . 3.100 2.217 2.130 2.297 . 0 0 "[ . 1 . 2]" 1
1386 1 61 THR HB 1 71 ALA HA 5.500 . 5.500 4.797 4.251 5.669 0.169 5 0 "[ . 1 . 2]" 1
1387 1 61 THR MG 1 62 GLN H 4.100 . 4.100 4.052 3.685 4.241 0.141 7 0 "[ . 1 . 2]" 1
1388 1 61 THR MG 1 72 GLU H 4.200 . 4.200 3.634 3.420 4.040 . 0 0 "[ . 1 . 2]" 1
1389 1 62 GLN H 1 62 GLN HB2 4.100 . 4.100 3.961 3.921 3.990 . 0 0 "[ . 1 . 2]" 1
1390 1 62 GLN H 1 62 GLN QB 3.300 . 3.300 3.270 3.224 3.302 0.002 12 0 "[ . 1 . 2]" 1
1391 1 62 GLN H 1 62 GLN HB3 4.100 . 4.100 3.484 3.414 3.532 . 0 0 "[ . 1 . 2]" 1
1392 1 62 GLN H 1 62 GLN QG 3.600 . 3.600 2.380 2.206 2.570 . 0 0 "[ . 1 . 2]" 1
1393 1 62 GLN H 1 63 LEU H 4.600 . 4.600 4.389 4.374 4.404 . 0 0 "[ . 1 . 2]" 1
1394 1 62 GLN H 1 69 LEU MD1 4.800 . 4.800 4.192 3.764 4.978 0.178 10 0 "[ . 1 . 2]" 1
1395 1 62 GLN H 1 69 LEU MD2 3.100 . 3.100 2.427 2.056 2.808 . 0 0 "[ . 1 . 2]" 1
1396 1 62 GLN H 1 70 ALA MB 4.700 . 4.700 3.614 3.370 3.931 . 0 0 "[ . 1 . 2]" 1
1397 1 62 GLN H 1 71 ALA MB 5.000 . 5.000 3.536 3.330 3.918 . 0 0 "[ . 1 . 2]" 1
1398 1 62 GLN HA 1 63 LEU H 2.600 . 2.600 2.468 2.369 2.542 . 0 0 "[ . 1 . 2]" 1
1399 1 62 GLN QG 1 63 LEU H 4.300 . 4.300 3.678 3.409 4.179 . 0 0 "[ . 1 . 2]" 1
1400 1 63 LEU H 1 63 LEU QB . . 3.000 2.288 2.258 2.323 . 0 0 "[ . 1 . 2]" 1
1401 1 63 LEU H 1 63 LEU QD 4.700 . 4.700 3.782 3.695 3.821 . 0 0 "[ . 1 . 2]" 1
1402 1 63 LEU H 1 64 ALA H 4.500 . 4.500 4.517 4.485 4.564 0.064 8 0 "[ . 1 . 2]" 1
1403 1 63 LEU HA 1 63 LEU QD 3.200 . 3.200 2.375 2.218 3.071 . 0 0 "[ . 1 . 2]" 1
1404 1 63 LEU HA 1 63 LEU HG 4.200 . 4.200 2.669 2.428 2.796 . 0 0 "[ . 1 . 2]" 1
1405 1 63 LEU HA 1 64 ALA H 2.600 . 2.600 2.168 2.135 2.181 . 0 0 "[ . 1 . 2]" 1
1406 1 63 LEU HA 1 64 ALA MB 5.200 . 5.200 3.952 3.912 3.997 . 0 0 "[ . 1 . 2]" 1
1407 1 63 LEU QB 1 64 ALA H 4.600 . 4.600 3.733 3.636 3.806 . 0 0 "[ . 1 . 2]" 1
1408 1 63 LEU QB 1 65 GLY H 5.500 . 5.500 5.724 5.539 5.922 0.422 18 0 "[ . 1 . 2]" 1
1409 1 63 LEU QD 1 64 ALA H 3.400 . 3.400 3.051 2.878 3.373 . 0 0 "[ . 1 . 2]" 1
1410 1 63 LEU QD 1 65 GLY H 4.800 . 4.800 4.690 3.727 4.912 0.112 7 0 "[ . 1 . 2]" 1
1411 1 63 LEU QD 1 66 SER HA 3.800 . 3.800 2.459 2.234 2.794 . 0 0 "[ . 1 . 2]" 1
1412 1 63 LEU QD 1 67 SER H 4.000 . 4.000 3.910 3.664 4.067 0.067 6 0 "[ . 1 . 2]" 1
1413 1 63 LEU QD 1 67 SER QB 4.800 . 4.800 4.092 3.860 4.417 . 0 0 "[ . 1 . 2]" 1
1414 1 63 LEU QD 1 68 GLU H 3.500 . 3.500 3.175 2.840 3.616 0.116 18 0 "[ . 1 . 2]" 1
1415 1 63 LEU HG 1 64 ALA H 4.800 . 4.800 2.576 2.313 2.788 . 0 0 "[ . 1 . 2]" 1
1416 1 63 LEU HG 1 65 GLY H 5.500 . 5.500 4.802 4.591 5.175 . 0 0 "[ . 1 . 2]" 1
1417 1 63 LEU HG 1 67 SER H 5.100 . 5.100 4.694 4.508 4.899 . 0 0 "[ . 1 . 2]" 1
1418 1 63 LEU HG 1 68 GLU H 4.600 . 4.600 3.553 3.202 4.020 . 0 0 "[ . 1 . 2]" 1
1419 1 64 ALA H 1 64 ALA MB 2.800 . 2.800 2.426 2.355 2.499 . 0 0 "[ . 1 . 2]" 1
1420 1 64 ALA H 1 65 GLY H 4.300 . 4.300 4.390 4.368 4.407 0.107 7 0 "[ . 1 . 2]" 1
1421 1 64 ALA H 1 66 SER H 5.400 . 5.400 3.815 3.680 3.997 . 0 0 "[ . 1 . 2]" 1
1422 1 64 ALA H 1 68 GLU H 3.900 . 3.900 3.186 3.002 3.479 . 0 0 "[ . 1 . 2]" 1
1423 1 64 ALA H 1 68 GLU QB 4.100 . 4.100 3.231 3.021 3.450 . 0 0 "[ . 1 . 2]" 1
1424 1 64 ALA H 1 69 LEU H 5.100 . 5.100 4.809 4.652 4.985 . 0 0 "[ . 1 . 2]" 1
1425 1 64 ALA H 1 69 LEU MD2 4.900 . 4.900 4.674 4.495 4.888 . 0 0 "[ . 1 . 2]" 1
1426 1 64 ALA H 1 70 ALA H 4.300 . 4.300 3.775 3.663 3.868 . 0 0 "[ . 1 . 2]" 1
1427 1 64 ALA HA 1 65 GLY H 2.800 . 2.800 2.161 2.142 2.175 . 0 0 "[ . 1 . 2]" 1
1428 1 64 ALA HA 1 65 GLY HA2 4.500 . 4.500 4.396 4.375 4.410 . 0 0 "[ . 1 . 2]" 1
1429 1 64 ALA HA 1 65 GLY HA3 4.800 . 4.800 4.437 4.422 4.452 . 0 0 "[ . 1 . 2]" 1
1430 1 64 ALA MB 1 65 GLY H 3.600 . 3.600 3.001 2.909 3.113 . 0 0 "[ . 1 . 2]" 1
1431 1 64 ALA MB 1 67 SER H 5.500 . 5.500 5.453 5.342 5.537 0.037 15 0 "[ . 1 . 2]" 1
1432 1 64 ALA MB 1 68 GLU QB 3.300 . 3.300 2.280 2.214 2.464 . 0 0 "[ . 1 . 2]" 1
1433 1 64 ALA MB 1 69 LEU H 5.500 . 5.500 4.440 4.229 4.877 . 0 0 "[ . 1 . 2]" 1
1434 1 65 GLY H 1 65 GLY HA2 2.600 . 2.600 2.296 2.288 2.300 . 0 0 "[ . 1 . 2]" 1
1435 1 65 GLY H 1 68 GLU QB 5.500 . 5.500 4.801 4.720 4.867 . 0 0 "[ . 1 . 2]" 1
1436 1 65 GLY HA2 1 66 SER HA 5.400 . 5.400 4.848 4.760 4.921 . 0 0 "[ . 1 . 2]" 1
1437 1 65 GLY HA2 1 68 GLU H 5.500 . 5.500 5.808 5.593 6.033 0.533 20 1 "[ . 1 . +]" 1
1438 1 65 GLY HA3 1 66 SER H 2.600 . 2.600 2.592 2.459 2.674 0.074 14 0 "[ . 1 . 2]" 1
1439 1 65 GLY HA3 1 67 SER H 3.700 . 3.700 3.957 3.796 4.182 0.482 9 0 "[ . 1 . 2]" 1
1440 1 65 GLY HA3 1 68 GLU H 4.500 . 4.500 4.437 4.161 4.736 0.236 20 0 "[ . 1 . 2]" 1
1441 1 66 SER H 1 66 SER QB 3.300 . 3.300 3.201 3.018 3.550 0.250 10 0 "[ . 1 . 2]" 1
1442 1 66 SER H 1 67 SER H 2.700 . 2.700 2.275 2.128 2.395 . 0 0 "[ . 1 . 2]" 1
1443 1 66 SER H 1 68 GLU H 3.600 . 3.600 2.569 2.410 2.747 . 0 0 "[ . 1 . 2]" 1
1444 1 66 SER H 1 68 GLU QB 5.500 . 5.500 3.776 3.665 3.855 . 0 0 "[ . 1 . 2]" 1
1445 1 66 SER HA 1 67 SER H 3.500 . 3.500 3.554 3.541 3.569 0.069 14 0 "[ . 1 . 2]" 1
1446 1 66 SER HA 1 68 GLU H 4.900 . 4.900 4.505 4.391 4.639 . 0 0 "[ . 1 . 2]" 1
1447 1 66 SER QB 1 67 SER H 3.600 . 3.600 2.798 2.410 3.313 . 0 0 "[ . 1 . 2]" 1
1448 1 66 SER QB 1 68 GLU H 5.200 . 5.200 4.675 4.451 5.038 . 0 0 "[ . 1 . 2]" 1
1449 1 67 SER H 1 68 GLU H 2.400 . 2.400 2.368 2.181 2.601 0.201 20 0 "[ . 1 . 2]" 1
1450 1 67 SER H 1 68 GLU HA 4.500 . 4.500 4.604 4.522 4.678 0.178 13 0 "[ . 1 . 2]" 1
1451 1 67 SER H 1 68 GLU QB 4.100 . 4.100 4.190 4.039 4.287 0.187 3 0 "[ . 1 . 2]" 1
1452 1 67 SER HA 1 88 ASP H 4.800 . 4.800 4.594 4.425 4.708 . 0 0 "[ . 1 . 2]" 1
1453 1 67 SER QB 1 68 GLU H 4.300 . 4.300 4.033 3.949 4.069 . 0 0 "[ . 1 . 2]" 1
1454 1 67 SER QB 1 86 ASN HD21 5.100 . 5.100 3.728 3.164 4.412 . 0 0 "[ . 1 . 2]" 1
1455 1 67 SER QB 1 87 LEU H 4.000 . 4.000 4.090 3.621 4.323 0.323 8 0 "[ . 1 . 2]" 1
1456 1 67 SER QB 1 87 LEU MD2 5.300 . 5.300 5.483 5.241 5.776 0.476 8 0 "[ . 1 . 2]" 1
1457 1 67 SER QB 1 88 ASP H 3.200 . 3.200 3.097 2.394 3.277 0.077 8 0 "[ . 1 . 2]" 1
1458 1 67 SER QB 1 88 ASP HA 4.300 . 4.300 3.857 3.428 4.048 . 0 0 "[ . 1 . 2]" 1
1459 1 67 SER HB2 1 68 GLU H 5.000 . 5.000 4.627 4.411 4.671 . 0 0 "[ . 1 . 2]" 1
1460 1 67 SER HB2 1 87 LEU MD1 5.500 . 5.500 4.119 3.821 4.535 . 0 0 "[ . 1 . 2]" 1
1461 1 67 SER HB2 1 88 ASP HA 5.000 . 5.000 3.960 3.538 4.162 . 0 0 "[ . 1 . 2]" 1
1462 1 67 SER HB3 1 68 GLU H 5.000 . 5.000 4.445 4.275 4.663 . 0 0 "[ . 1 . 2]" 1
1463 1 67 SER HB3 1 87 LEU MD1 5.500 . 5.500 5.079 4.772 5.520 0.020 8 0 "[ . 1 . 2]" 1
1464 1 67 SER HB3 1 88 ASP HA 5.000 . 5.000 5.319 4.594 5.568 0.568 10 3 "[ * . + . - 2]" 1
1465 1 68 GLU H 1 68 GLU QB 3.200 . 3.200 2.710 2.653 2.783 . 0 0 "[ . 1 . 2]" 1
1466 1 68 GLU H 1 68 GLU QG 4.900 . 4.900 2.568 2.297 2.886 . 0 0 "[ . 1 . 2]" 1
1467 1 68 GLU H 1 69 LEU H 4.400 . 4.400 4.455 4.297 4.533 0.133 8 0 "[ . 1 . 2]" 1
1468 1 68 GLU H 1 87 LEU H 5.100 . 5.100 4.473 4.292 4.619 . 0 0 "[ . 1 . 2]" 1
1469 1 68 GLU H 1 87 LEU MD1 5.000 . 5.000 3.678 3.154 4.218 . 0 0 "[ . 1 . 2]" 1
1470 1 68 GLU HA 1 69 LEU H 2.500 . 2.500 2.227 2.117 2.310 . 0 0 "[ . 1 . 2]" 1
1471 1 68 GLU HA 1 69 LEU QB 4.800 . 4.800 3.922 3.833 4.010 . 0 0 "[ . 1 . 2]" 1
1472 1 68 GLU HA 1 85 ILE H 4.500 . 4.500 4.266 4.052 4.394 . 0 0 "[ . 1 . 2]" 1
1473 1 68 GLU HA 1 85 ILE MG 4.800 . 4.800 4.376 4.109 4.502 . 0 0 "[ . 1 . 2]" 1
1474 1 68 GLU HA 1 86 ASN HA 3.400 . 3.400 2.347 2.267 2.441 . 0 0 "[ . 1 . 2]" 1
1475 1 68 GLU HA 1 86 ASN HB2 5.300 . 5.300 4.916 4.598 5.089 . 0 0 "[ . 1 . 2]" 1
1476 1 68 GLU HA 1 86 ASN HB3 5.500 . 5.500 5.289 5.157 5.440 . 0 0 "[ . 1 . 2]" 1
1477 1 68 GLU HA 1 86 ASN HD21 5.200 . 5.200 3.359 3.108 4.115 . 0 0 "[ . 1 . 2]" 1
1478 1 68 GLU HA 1 87 LEU H 3.100 . 3.100 2.436 2.131 2.633 . 0 0 "[ . 1 . 2]" 1
1479 1 68 GLU HA 1 87 LEU MD1 5.500 . 5.500 3.692 3.313 3.992 . 0 0 "[ . 1 . 2]" 1
1480 1 68 GLU HA 1 87 LEU MD2 5.300 . 5.300 4.530 4.256 4.681 . 0 0 "[ . 1 . 2]" 1
1481 1 68 GLU HA 1 87 LEU HG 4.200 . 4.200 3.006 2.711 3.218 . 0 0 "[ . 1 . 2]" 1
1482 1 68 GLU QB 1 69 LEU H 4.000 . 4.000 2.775 2.526 3.167 . 0 0 "[ . 1 . 2]" 1
1483 1 68 GLU QB 1 69 LEU HA 5.500 . 5.500 4.248 4.158 4.404 . 0 0 "[ . 1 . 2]" 1
1484 1 68 GLU QB 1 70 ALA H 5.500 . 5.500 4.538 4.378 4.735 . 0 0 "[ . 1 . 2]" 1
1485 1 68 GLU QB 1 85 ILE H 5.500 . 5.500 3.605 3.371 3.852 . 0 0 "[ . 1 . 2]" 1
1486 1 68 GLU QB 1 86 ASN HA 4.800 . 4.800 3.503 3.235 3.831 . 0 0 "[ . 1 . 2]" 1
1487 1 68 GLU QG 1 69 LEU H 4.000 . 4.000 4.219 4.144 4.420 0.420 16 0 "[ . 1 . 2]" 1
1488 1 68 GLU QG 1 86 ASN H . . 4.800 5.144 4.912 5.315 0.515 4 1 "[ +. 1 . 2]" 1
1489 1 68 GLU QG 1 86 ASN HD21 5.500 . 5.500 2.912 1.859 3.976 . 0 0 "[ . 1 . 2]" 1
1490 1 68 GLU QG 1 87 LEU H . . 4.400 3.820 3.512 4.136 . 0 0 "[ . 1 . 2]" 1
1491 1 69 LEU H 1 69 LEU HB2 3.300 . 3.300 3.060 2.865 3.184 . 0 0 "[ . 1 . 2]" 1
1492 1 69 LEU H 1 69 LEU QB 2.900 . 2.900 2.374 2.208 2.476 . 0 0 "[ . 1 . 2]" 1
1493 1 69 LEU H 1 69 LEU HB3 3.300 . 3.300 2.474 2.287 2.583 . 0 0 "[ . 1 . 2]" 1
1494 1 69 LEU H 1 69 LEU MD1 4.200 . 4.200 3.920 3.827 3.995 . 0 0 "[ . 1 . 2]" 1
1495 1 69 LEU H 1 70 ALA H 4.600 . 4.600 4.160 4.006 4.340 . 0 0 "[ . 1 . 2]" 1
1496 1 69 LEU H 1 70 ALA MB 5.500 . 5.500 4.961 4.819 5.283 . 0 0 "[ . 1 . 2]" 1
1497 1 69 LEU H 1 84 LYS HA 5.100 . 5.100 4.381 4.008 4.794 . 0 0 "[ . 1 . 2]" 1
1498 1 69 LEU H 1 85 ILE H 3.400 . 3.400 2.744 2.424 3.116 . 0 0 "[ . 1 . 2]" 1
1499 1 69 LEU H 1 85 ILE MG 3.700 . 3.700 3.080 2.818 3.237 . 0 0 "[ . 1 . 2]" 1
1500 1 69 LEU H 1 87 LEU H 3.700 . 3.700 3.717 3.373 3.937 0.237 9 0 "[ . 1 . 2]" 1
1501 1 69 LEU H 1 87 LEU HB2 4.900 . 4.900 5.169 4.723 5.480 0.580 4 2 "[ +. -1 . 2]" 1
1502 1 69 LEU H 1 87 LEU MD1 4.600 . 4.600 3.791 3.224 4.147 . 0 0 "[ . 1 . 2]" 1
1503 1 69 LEU H 1 87 LEU MD2 4.300 . 4.300 4.044 3.415 4.378 0.078 20 0 "[ . 1 . 2]" 1
1504 1 69 LEU H 1 87 LEU HG 3.300 . 3.300 3.078 2.494 3.334 0.034 4 0 "[ . 1 . 2]" 1
1505 1 69 LEU HA 1 70 ALA H 2.800 . 2.800 2.117 2.067 2.209 . 0 0 "[ . 1 . 2]" 1
1506 1 69 LEU QB 1 70 ALA H 3.900 . 3.900 3.910 3.851 3.999 0.099 20 0 "[ . 1 . 2]" 1
1507 1 69 LEU QB 1 87 LEU H 5.300 . 5.300 4.279 4.032 4.584 . 0 0 "[ . 1 . 2]" 1
1508 1 69 LEU QB 1 87 LEU HB2 5.300 . 5.300 4.712 4.539 4.920 . 0 0 "[ . 1 . 2]" 1
1509 1 69 LEU HB2 1 70 ALA H 4.500 . 4.500 4.346 4.241 4.511 0.011 20 0 "[ . 1 . 2]" 1
1510 1 69 LEU HB3 1 70 ALA H 4.500 . 4.500 4.436 4.398 4.473 . 0 0 "[ . 1 . 2]" 1
1511 1 69 LEU MD1 1 70 ALA H 4.100 . 4.100 3.557 3.371 3.977 . 0 0 "[ . 1 . 2]" 1
1512 1 69 LEU MD1 1 70 ALA HA 4.000 . 4.000 3.372 3.229 3.683 . 0 0 "[ . 1 . 2]" 1
1513 1 69 LEU MD1 1 70 ALA MB 4.200 . 4.200 4.234 4.074 4.615 0.415 8 0 "[ . 1 . 2]" 1
1514 1 69 LEU MD1 1 71 ALA H 3.500 . 3.500 3.562 3.325 4.021 0.521 8 1 "[ . + 1 . 2]" 1
1515 1 69 LEU MD1 1 72 GLU H 5.500 . 5.500 5.456 5.079 5.986 0.486 6 0 "[ . 1 . 2]" 1
1516 1 69 LEU MD1 1 84 LYS H 5.500 . 5.500 5.357 5.218 5.509 0.009 5 0 "[ . 1 . 2]" 1
1517 1 69 LEU MD1 1 84 LYS HA 3.500 . 3.500 3.586 3.451 3.707 0.207 5 0 "[ . 1 . 2]" 1
1518 1 69 LEU MD2 1 70 ALA H 4.100 . 4.100 2.341 2.215 2.704 . 0 0 "[ . 1 . 2]" 1
1519 1 69 LEU MD2 1 71 ALA H 4.800 . 4.800 4.350 3.796 4.731 . 0 0 "[ . 1 . 2]" 1
1520 1 70 ALA H 1 70 ALA MB 3.300 . 3.300 2.308 2.269 2.355 . 0 0 "[ . 1 . 2]" 1
1521 1 70 ALA H 1 71 ALA H 4.500 . 4.500 4.500 4.461 4.549 0.049 19 0 "[ . 1 . 2]" 1
1522 1 70 ALA H 1 84 LYS HA 5.000 . 5.000 4.864 4.671 5.015 0.015 14 0 "[ . 1 . 2]" 1
1523 1 70 ALA H 1 84 LYS QB 5.200 . 5.200 5.178 4.878 5.476 0.276 10 0 "[ . 1 . 2]" 1
1524 1 70 ALA HA 1 71 ALA H 2.400 . 2.400 2.191 2.165 2.221 . 0 0 "[ . 1 . 2]" 1
1525 1 70 ALA HA 1 84 LYS H 5.100 . 5.100 5.065 4.851 5.279 0.179 14 0 "[ . 1 . 2]" 1
1526 1 70 ALA HA 1 84 LYS HA 3.000 . 3.000 2.658 2.410 2.876 . 0 0 "[ . 1 . 2]" 1
1527 1 70 ALA HA 1 84 LYS QB 3.800 . 3.800 3.272 2.980 3.496 . 0 0 "[ . 1 . 2]" 1
1528 1 70 ALA HA 1 85 ILE H 4.200 . 4.200 4.229 4.063 4.363 0.163 12 0 "[ . 1 . 2]" 1
1529 1 70 ALA MB 1 71 ALA H 4.800 . 4.800 2.991 2.908 3.068 . 0 0 "[ . 1 . 2]" 1
1530 1 71 ALA H 1 72 GLU H 4.500 . 4.500 4.358 4.325 4.379 . 0 0 "[ . 1 . 2]" 1
1531 1 71 ALA H 1 72 GLU HG3 5.500 . 5.500 5.176 4.772 5.420 . 0 0 "[ . 1 . 2]" 1
1532 1 71 ALA H 1 83 THR H 3.500 . 3.500 3.304 2.971 3.486 . 0 0 "[ . 1 . 2]" 1
1533 1 71 ALA H 1 84 LYS HA 3.600 . 3.600 3.728 3.585 3.895 0.295 7 0 "[ . 1 . 2]" 1
1534 1 71 ALA H 1 84 LYS QB 4.200 . 4.200 4.393 4.212 4.583 0.383 10 0 "[ . 1 . 2]" 1
1535 1 71 ALA H 1 84 LYS QE 5.500 . 5.500 7.258 5.073 8.304 2.804 10 18 "[****** * +********-*]" 1
1536 1 71 ALA HA 1 72 GLU H 3.000 . 3.000 2.474 2.335 2.655 . 0 0 "[ . 1 . 2]" 1
1537 1 71 ALA HA 1 72 GLU HG2 5.500 . 5.500 5.108 4.396 5.447 . 0 0 "[ . 1 . 2]" 1
1538 1 71 ALA HA 1 72 GLU HG3 5.200 . 5.200 3.969 3.371 4.290 . 0 0 "[ . 1 . 2]" 1
1539 1 71 ALA MB 1 72 GLU H 2.700 . 2.700 2.240 2.011 2.503 . 0 0 "[ . 1 . 2]" 1
1540 1 71 ALA MB 1 72 GLU HA 4.200 . 4.200 4.046 3.908 4.163 . 0 0 "[ . 1 . 2]" 1
1541 1 71 ALA MB 1 73 CYS H 4.900 . 4.900 4.721 3.994 4.865 . 0 0 "[ . 1 . 2]" 1
1542 1 72 GLU H 1 72 GLU HB2 3.100 . 3.100 2.452 2.333 2.778 . 0 0 "[ . 1 . 2]" 1
1543 1 72 GLU H 1 72 GLU HB3 3.800 . 3.800 3.638 3.543 3.822 0.022 13 0 "[ . 1 . 2]" 1
1544 1 72 GLU H 1 72 GLU HG2 4.200 . 4.200 4.090 3.706 4.314 0.114 12 0 "[ . 1 . 2]" 1
1545 1 72 GLU H 1 72 GLU HG3 3.500 . 3.500 3.300 2.711 3.662 0.162 16 0 "[ . 1 . 2]" 1
1546 1 72 GLU H 1 73 CYS H 4.400 . 4.400 4.312 3.752 4.465 0.065 6 0 "[ . 1 . 2]" 1
1547 1 72 GLU H 1 73 CYS HA 5.300 . 5.300 4.957 4.543 5.164 . 0 0 "[ . 1 . 2]" 1
1548 1 72 GLU H 1 80 PHE QD 4.800 . 4.800 5.131 5.010 5.236 0.436 15 0 "[ . 1 . 2]" 1
1549 1 72 GLU HA 1 72 GLU HG2 3.700 . 3.700 2.315 2.268 2.608 . 0 0 "[ . 1 . 2]" 1
1550 1 72 GLU HA 1 72 GLU HG3 3.900 . 3.900 3.046 2.934 3.277 . 0 0 "[ . 1 . 2]" 1
1551 1 72 GLU HA 1 73 CYS H 2.500 . 2.500 2.170 2.129 2.250 . 0 0 "[ . 1 . 2]" 1
1552 1 72 GLU HA 1 73 CYS HB2 5.500 . 5.500 4.385 4.288 4.486 . 0 0 "[ . 1 . 2]" 1
1553 1 72 GLU HA 1 80 PHE HB3 4.800 . 4.800 4.331 4.156 4.481 . 0 0 "[ . 1 . 2]" 1
1554 1 72 GLU HA 1 81 VAL H 4.400 . 4.400 4.226 3.963 4.299 . 0 0 "[ . 1 . 2]" 1
1555 1 72 GLU HA 1 82 SER H 5.000 . 5.000 5.056 4.663 5.186 0.186 18 0 "[ . 1 . 2]" 1
1556 1 72 GLU HA 1 82 SER HA 3.200 . 3.200 2.998 2.734 3.218 0.018 18 0 "[ . 1 . 2]" 1
1557 1 72 GLU HA 1 82 SER QB 5.500 . 5.500 4.938 4.495 5.314 . 0 0 "[ . 1 . 2]" 1
1558 1 72 GLU HA 1 83 THR H 3.300 . 3.300 2.889 2.598 3.084 . 0 0 "[ . 1 . 2]" 1
1559 1 72 GLU HA 1 83 THR MG 4.000 . 4.000 3.141 2.728 3.453 . 0 0 "[ . 1 . 2]" 1
1560 1 72 GLU HB2 1 73 CYS H 4.300 . 4.300 4.413 4.119 4.596 0.296 16 0 "[ . 1 . 2]" 1
1561 1 72 GLU HB2 1 80 PHE HA 5.500 . 5.500 5.711 4.909 5.887 0.387 18 0 "[ . 1 . 2]" 1
1562 1 72 GLU HB2 1 80 PHE HB2 5.300 . 5.300 5.396 4.542 5.502 0.202 16 0 "[ . 1 . 2]" 1
1563 1 72 GLU HB2 1 80 PHE HB3 4.200 . 4.200 3.850 2.976 3.969 . 0 0 "[ . 1 . 2]" 1
1564 1 72 GLU HB2 1 80 PHE QD 5.300 . 5.300 3.956 3.447 4.218 . 0 0 "[ . 1 . 2]" 1
1565 1 72 GLU HB2 1 82 SER HA 5.500 . 5.500 5.262 4.915 5.467 . 0 0 "[ . 1 . 2]" 1
1566 1 72 GLU HB3 1 73 CYS H 3.700 . 3.700 3.505 3.337 4.018 0.318 12 0 "[ . 1 . 2]" 1
1567 1 72 GLU HB3 1 73 CYS HA 5.500 . 5.500 4.552 4.439 4.799 . 0 0 "[ . 1 . 2]" 1
1568 1 72 GLU HB3 1 80 PHE HA 5.200 . 5.200 4.066 3.869 4.215 . 0 0 "[ . 1 . 2]" 1
1569 1 72 GLU HB3 1 80 PHE HB2 4.400 . 4.400 3.963 3.919 4.030 . 0 0 "[ . 1 . 2]" 1
1570 1 72 GLU HB3 1 80 PHE HB3 3.900 . 3.900 2.286 2.250 2.310 . 0 0 "[ . 1 . 2]" 1
1571 1 72 GLU HB3 1 80 PHE QD 3.900 . 3.900 2.817 2.561 3.447 . 0 0 "[ . 1 . 2]" 1
1572 1 72 GLU HB3 1 81 VAL H 4.400 . 4.400 4.319 3.729 4.534 0.134 18 0 "[ . 1 . 2]" 1
1573 1 72 GLU HB3 1 82 SER HA 5.400 . 5.400 4.795 3.900 5.270 . 0 0 "[ . 1 . 2]" 1
1574 1 72 GLU HG2 1 73 CYS H 4.900 . 4.900 4.115 3.836 4.602 . 0 0 "[ . 1 . 2]" 1
1575 1 72 GLU HG2 1 81 VAL HA 5.500 . 5.500 4.568 4.188 5.140 . 0 0 "[ . 1 . 2]" 1
1576 1 72 GLU HG2 1 82 SER HA 5.100 . 5.100 2.665 2.395 3.012 . 0 0 "[ . 1 . 2]" 1
1577 1 72 GLU HG2 1 83 THR H 4.600 . 4.600 3.997 3.636 4.238 . 0 0 "[ . 1 . 2]" 1
1578 1 72 GLU HG3 1 73 CYS H 5.300 . 5.300 5.103 4.944 5.250 . 0 0 "[ . 1 . 2]" 1
1579 1 72 GLU HG3 1 82 SER HA 4.600 . 4.600 3.781 3.305 4.080 . 0 0 "[ . 1 . 2]" 1
1580 1 72 GLU HG3 1 83 THR H 5.100 . 5.100 4.722 4.403 5.057 . 0 0 "[ . 1 . 2]" 1
1581 1 73 CYS H 1 73 CYS HB2 3.100 . 3.100 2.489 2.260 2.578 . 0 0 "[ . 1 . 2]" 1
1582 1 73 CYS H 1 73 CYS HB3 3.800 . 3.800 3.662 3.545 3.753 . 0 0 "[ . 1 . 2]" 1
1583 1 73 CYS H 1 74 LYS H 4.500 . 4.500 4.444 4.399 4.553 0.053 12 0 "[ . 1 . 2]" 1
1584 1 73 CYS H 1 74 LYS HA 5.200 . 5.200 5.048 4.965 5.402 0.202 12 0 "[ . 1 . 2]" 1
1585 1 73 CYS H 1 80 PHE HA 4.300 . 4.300 3.986 3.779 4.584 0.284 12 0 "[ . 1 . 2]" 1
1586 1 73 CYS H 1 80 PHE HB3 4.700 . 4.700 4.429 4.177 4.940 0.240 12 0 "[ . 1 . 2]" 1
1587 1 73 CYS H 1 80 PHE QD 4.000 . 4.000 3.363 3.017 3.892 . 0 0 "[ . 1 . 2]" 1
1588 1 73 CYS H 1 81 VAL H 3.200 . 3.200 3.105 2.906 3.679 0.479 16 0 "[ . 1 . 2]" 1
1589 1 73 CYS H 1 81 VAL QG 4.800 . 4.800 3.124 2.954 3.561 . 0 0 "[ . 1 . 2]" 1
1590 1 73 CYS H 1 82 SER HA 4.500 . 4.500 4.359 4.046 4.662 0.162 16 0 "[ . 1 . 2]" 1
1591 1 73 CYS H 1 83 THR MG 3.300 . 3.300 2.282 1.962 2.503 . 0 0 "[ . 1 . 2]" 1
1592 1 73 CYS HA 1 74 LYS H 2.600 . 2.600 2.168 2.138 2.194 . 0 0 "[ . 1 . 2]" 1
1593 1 73 CYS HA 1 74 LYS HA 4.900 . 4.900 4.308 4.266 4.335 . 0 0 "[ . 1 . 2]" 1
1594 1 73 CYS HA 1 74 LYS HB2 4.600 . 4.600 4.088 4.051 4.121 . 0 0 "[ . 1 . 2]" 1
1595 1 73 CYS HA 1 80 PHE QD 3.700 . 3.700 2.764 2.658 2.969 . 0 0 "[ . 1 . 2]" 1
1596 1 73 CYS HA 1 80 PHE QE 3.900 . 3.900 2.877 2.577 3.219 . 0 0 "[ . 1 . 2]" 1
1597 1 73 CYS HA 1 81 VAL H 4.900 . 4.900 4.873 4.702 5.083 0.183 16 0 "[ . 1 . 2]" 1
1598 1 73 CYS HA 1 83 THR MG 5.000 . 5.000 4.274 4.172 4.322 . 0 0 "[ . 1 . 2]" 1
1599 1 73 CYS HB2 1 80 PHE HA 5.500 . 5.500 5.391 5.176 5.614 0.114 14 0 "[ . 1 . 2]" 1
1600 1 73 CYS HB2 1 81 VAL H 4.800 . 4.800 4.549 4.249 4.926 0.126 13 0 "[ . 1 . 2]" 1
1601 1 73 CYS HB2 1 83 THR HB 5.300 . 5.300 4.334 4.219 4.432 . 0 0 "[ . 1 . 2]" 1
1602 1 73 CYS HB2 1 83 THR MG 3.500 . 3.500 2.107 2.048 2.214 . 0 0 "[ . 1 . 2]" 1
1603 1 73 CYS HB3 1 80 PHE HA 5.500 . 5.500 5.481 5.422 5.601 0.101 16 0 "[ . 1 . 2]" 1
1604 1 73 CYS HB3 1 83 THR HB 5.500 . 5.500 5.814 5.720 5.954 0.454 12 0 "[ . 1 . 2]" 1
1605 1 73 CYS HB3 1 83 THR MG 3.700 . 3.700 3.462 3.400 3.624 . 0 0 "[ . 1 . 2]" 1
1606 1 74 LYS H 1 74 LYS HB2 3.000 . 3.000 2.096 2.065 2.129 . 0 0 "[ . 1 . 2]" 1
1607 1 74 LYS H 1 74 LYS HG3 4.300 . 4.300 3.820 3.704 3.933 . 0 0 "[ . 1 . 2]" 1
1608 1 74 LYS H 1 80 PHE QD 4.000 . 4.000 3.137 2.987 3.252 . 0 0 "[ . 1 . 2]" 1
1609 1 74 LYS H 1 80 PHE QE 3.800 . 3.800 2.607 2.464 2.822 . 0 0 "[ . 1 . 2]" 1
1610 1 74 LYS H 1 80 PHE HZ 4.700 . 4.700 4.448 4.223 4.731 0.031 14 0 "[ . 1 . 2]" 1
1611 1 74 LYS H 1 81 VAL H 5.000 . 5.000 5.081 4.909 5.245 0.245 16 0 "[ . 1 . 2]" 1
1612 1 74 LYS HA 1 74 LYS HG2 3.600 . 3.600 2.577 2.464 2.687 . 0 0 "[ . 1 . 2]" 1
1613 1 74 LYS HA 1 74 LYS HG3 3.400 . 3.400 2.385 2.328 2.477 . 0 0 "[ . 1 . 2]" 1
1614 1 74 LYS HA 1 75 THR H 2.400 . 2.400 2.111 2.086 2.154 . 0 0 "[ . 1 . 2]" 1
1615 1 74 LYS HA 1 78 GLY H 5.300 . 5.300 5.105 5.006 5.239 . 0 0 "[ . 1 . 2]" 1
1616 1 74 LYS HA 1 79 GLN H 4.100 . 4.100 3.844 3.696 4.042 . 0 0 "[ . 1 . 2]" 1
1617 1 74 LYS HA 1 80 PHE H 4.100 . 4.100 3.907 3.816 4.051 . 0 0 "[ . 1 . 2]" 1
1618 1 74 LYS HA 1 80 PHE HA 3.100 . 3.100 2.318 2.296 2.360 . 0 0 "[ . 1 . 2]" 1
1619 1 74 LYS HA 1 80 PHE QD 3.900 . 3.900 3.298 3.060 3.419 . 0 0 "[ . 1 . 2]" 1
1620 1 74 LYS HA 1 80 PHE QE 4.800 . 4.800 3.979 3.795 4.056 . 0 0 "[ . 1 . 2]" 1
1621 1 74 LYS HA 1 81 VAL H 3.800 . 3.800 3.793 3.705 3.875 0.075 12 0 "[ . 1 . 2]" 1
1622 1 74 LYS HB2 1 80 PHE QD 4.500 . 4.500 3.926 3.722 4.089 . 0 0 "[ . 1 . 2]" 1
1623 1 74 LYS HB2 1 80 PHE QE 3.500 . 3.500 2.820 2.590 3.010 . 0 0 "[ . 1 . 2]" 1
1624 1 74 LYS HB2 1 80 PHE HZ 4.000 . 4.000 3.326 3.040 3.522 . 0 0 "[ . 1 . 2]" 1
1625 1 74 LYS QD 1 78 GLY HA2 3.800 . 3.800 3.038 2.585 3.416 . 0 0 "[ . 1 . 2]" 1
1626 1 74 LYS QD 1 78 GLY HA3 3.900 . 3.900 4.211 3.792 4.563 0.663 12 3 "[-* . 1 + . 2]" 1
1627 1 74 LYS QD 1 80 PHE QE 3.600 . 3.600 3.084 2.859 3.307 . 0 0 "[ . 1 . 2]" 1
1628 1 74 LYS QD 1 80 PHE HZ 4.000 . 4.000 2.614 2.383 3.004 . 0 0 "[ . 1 . 2]" 1
1629 1 74 LYS QE 1 74 LYS HG2 3.600 . 3.600 2.469 2.318 2.758 . 0 0 "[ . 1 . 2]" 1
1630 1 74 LYS QE 1 74 LYS HG3 3.500 . 3.500 2.392 2.302 2.480 . 0 0 "[ . 1 . 2]" 1
1631 1 74 LYS QE 1 78 GLY H 5.200 . 5.200 5.023 4.591 5.747 0.547 12 2 "[- . 1 + . 2]" 1
1632 1 74 LYS QE 1 79 GLN H 5.500 . 5.500 4.544 4.179 5.169 . 0 0 "[ . 1 . 2]" 1
1633 1 74 LYS QE 1 80 PHE H 4.400 . 4.400 4.462 4.206 4.747 0.347 12 0 "[ . 1 . 2]" 1
1634 1 74 LYS QE 1 80 PHE QE 3.800 . 3.800 2.377 2.295 2.605 . 0 0 "[ . 1 . 2]" 1
1635 1 74 LYS QE 1 80 PHE HZ 4.200 . 4.200 3.621 3.319 3.892 . 0 0 "[ . 1 . 2]" 1
1636 1 74 LYS HG2 1 75 THR H 3.300 . 3.300 3.077 2.891 3.263 . 0 0 "[ . 1 . 2]" 1
1637 1 74 LYS HG2 1 78 GLY H 4.200 . 4.200 3.882 3.736 3.994 . 0 0 "[ . 1 . 2]" 1
1638 1 74 LYS HG2 1 79 GLN H 4.200 . 4.200 3.167 2.995 3.384 . 0 0 "[ . 1 . 2]" 1
1639 1 74 LYS HG2 1 80 PHE QD 5.000 . 5.000 4.394 4.288 4.460 . 0 0 "[ . 1 . 2]" 1
1640 1 74 LYS HG3 1 75 THR H 3.600 . 3.600 3.890 3.746 4.044 0.444 6 0 "[ . 1 . 2]" 1
1641 1 74 LYS HG3 1 78 GLY H 5.100 . 5.100 5.573 5.429 5.695 0.595 19 8 "[* -. * *1 * . *+*]" 1
1642 1 74 LYS HG3 1 78 GLY HA2 4.200 . 4.200 4.016 3.905 4.091 . 0 0 "[ . 1 . 2]" 1
1643 1 74 LYS HG3 1 78 GLY HA3 4.800 . 4.800 5.236 5.141 5.362 0.562 20 1 "[ . 1 . +]" 1
1644 1 74 LYS HG3 1 80 PHE H 4.100 . 4.100 3.801 3.670 3.982 . 0 0 "[ . 1 . 2]" 1
1645 1 74 LYS HG3 1 80 PHE QD 4.500 . 4.500 3.166 3.083 3.253 . 0 0 "[ . 1 . 2]" 1
1646 1 74 LYS HG3 1 80 PHE QE 4.100 . 4.100 3.000 2.964 3.073 . 0 0 "[ . 1 . 2]" 1
1647 1 74 LYS HG3 1 80 PHE HZ 4.700 . 4.700 3.393 3.266 3.563 . 0 0 "[ . 1 . 2]" 1
1648 1 75 THR H 1 75 THR MG 3.200 . 3.200 2.409 2.178 2.612 . 0 0 "[ . 1 . 2]" 1
1649 1 75 THR H 1 76 ALA H 4.700 . 4.700 4.586 4.568 4.607 . 0 0 "[ . 1 . 2]" 1
1650 1 75 THR H 1 78 GLY H 3.900 . 3.900 3.569 3.492 3.663 . 0 0 "[ . 1 . 2]" 1
1651 1 75 THR H 1 78 GLY HA2 4.200 . 4.200 4.014 3.852 4.161 . 0 0 "[ . 1 . 2]" 1
1652 1 75 THR H 1 78 GLY HA3 5.300 . 5.300 5.324 5.195 5.421 0.121 13 0 "[ . 1 . 2]" 1
1653 1 75 THR H 1 79 GLN H 2.900 . 2.900 2.352 2.181 2.529 . 0 0 "[ . 1 . 2]" 1
1654 1 75 THR H 1 79 GLN QB 3.900 . 3.900 3.764 3.591 4.312 0.412 17 0 "[ . 1 . 2]" 1
1655 1 75 THR H 1 79 GLN QG 5.500 . 5.500 4.794 3.047 5.252 . 0 0 "[ . 1 . 2]" 1
1656 1 75 THR H 1 80 PHE HA 3.700 . 3.700 3.453 3.287 3.608 . 0 0 "[ . 1 . 2]" 1
1657 1 75 THR H 1 81 VAL HB 5.500 . 5.500 6.808 6.669 6.972 1.472 8 20 [-******+************] 1
1658 1 75 THR HA 1 75 THR HB 2.900 . 2.900 2.522 2.435 2.567 . 0 0 "[ . 1 . 2]" 1
1659 1 75 THR HA 1 75 THR MG 2.900 . 2.900 2.357 2.315 2.438 . 0 0 "[ . 1 . 2]" 1
1660 1 75 THR HA 1 76 ALA H 2.700 . 2.700 2.488 2.439 2.538 . 0 0 "[ . 1 . 2]" 1
1661 1 75 THR HA 1 76 ALA MB 4.400 . 4.400 4.211 4.171 4.253 . 0 0 "[ . 1 . 2]" 1
1662 1 75 THR HA 1 79 GLN H 4.800 . 4.800 4.402 4.279 4.539 . 0 0 "[ . 1 . 2]" 1
1663 1 75 THR HA 1 81 VAL QG 5.300 . 5.300 3.891 3.797 4.030 . 0 0 "[ . 1 . 2]" 1
1664 1 75 THR HB 1 76 ALA H 2.900 . 2.900 2.215 2.088 2.302 . 0 0 "[ . 1 . 2]" 1
1665 1 75 THR HB 1 77 ALA H 3.200 . 3.200 2.651 2.561 2.851 . 0 0 "[ . 1 . 2]" 1
1666 1 75 THR HB 1 78 GLY H 4.300 . 4.300 3.857 3.653 4.135 . 0 0 "[ . 1 . 2]" 1
1667 1 75 THR HB 1 79 GLN H 4.000 . 4.000 3.867 3.608 4.244 0.244 6 0 "[ . 1 . 2]" 1
1668 1 75 THR MG 1 76 ALA H 3.600 . 3.600 3.518 3.425 3.671 0.071 18 0 "[ . 1 . 2]" 1
1669 1 75 THR MG 1 77 ALA H 4.900 . 4.900 4.179 4.136 4.255 . 0 0 "[ . 1 . 2]" 1
1670 1 75 THR MG 1 78 GLY H 4.800 . 4.800 4.521 4.351 4.624 . 0 0 "[ . 1 . 2]" 1
1671 1 75 THR MG 1 79 GLN H 4.100 . 4.100 3.589 3.501 3.684 . 0 0 "[ . 1 . 2]" 1
1672 1 76 ALA H 1 76 ALA MB 2.600 . 2.600 2.211 2.181 2.223 . 0 0 "[ . 1 . 2]" 1
1673 1 76 ALA H 1 77 ALA H 3.000 . 3.000 2.659 2.600 2.724 . 0 0 "[ . 1 . 2]" 1
1674 1 76 ALA H 1 78 GLY H 4.300 . 4.300 4.032 4.001 4.089 . 0 0 "[ . 1 . 2]" 1
1675 1 76 ALA H 1 79 GLN H 5.100 . 5.100 4.994 4.889 5.138 0.038 6 0 "[ . 1 . 2]" 1
1676 1 76 ALA H 1 81 VAL QG 5.400 . 5.400 5.278 5.183 5.409 0.009 18 0 "[ . 1 . 2]" 1
1677 1 76 ALA HA 1 78 GLY H 4.200 . 4.200 3.937 3.850 4.164 . 0 0 "[ . 1 . 2]" 1
1678 1 77 ALA H 1 77 ALA MB 2.500 . 2.500 2.261 2.239 2.294 . 0 0 "[ . 1 . 2]" 1
1679 1 77 ALA H 1 78 GLY HA3 5.200 . 5.200 5.090 5.030 5.159 . 0 0 "[ . 1 . 2]" 1
1680 1 77 ALA H 1 79 GLN H 4.100 . 4.100 3.711 3.577 3.862 . 0 0 "[ . 1 . 2]" 1
1681 1 77 ALA H 1 79 GLN QB 4.700 . 4.700 4.607 4.292 4.901 0.201 6 0 "[ . 1 . 2]" 1
1682 1 77 ALA MB 1 78 GLY H 3.200 . 3.200 3.020 2.818 3.099 . 0 0 "[ . 1 . 2]" 1
1683 1 77 ALA MB 1 79 GLN H 3.700 . 3.700 3.429 3.276 3.570 . 0 0 "[ . 1 . 2]" 1
1684 1 78 GLY H 1 79 GLN H 2.700 . 2.700 2.195 2.038 2.255 . 0 0 "[ . 1 . 2]" 1
1685 1 78 GLY H 1 79 GLN QB 4.400 . 4.400 4.121 3.913 4.240 . 0 0 "[ . 1 . 2]" 1
1686 1 78 GLY H 1 79 GLN QG 5.400 . 5.400 4.640 4.239 5.752 0.352 9 0 "[ . 1 . 2]" 1
1687 1 78 GLY HA2 1 79 GLN H 3.400 . 3.400 2.914 2.863 2.998 . 0 0 "[ . 1 . 2]" 1
1688 1 78 GLY HA3 1 79 GLN H 3.500 . 3.500 3.539 3.522 3.563 0.063 8 0 "[ . 1 . 2]" 1
1689 1 79 GLN H 1 79 GLN QB 2.800 . 2.800 2.497 2.377 2.677 . 0 0 "[ . 1 . 2]" 1
1690 1 79 GLN H 1 79 GLN QG 4.100 . 4.100 3.317 2.735 3.903 . 0 0 "[ . 1 . 2]" 1
1691 1 79 GLN H 1 81 VAL QG 5.100 . 5.100 4.592 4.503 4.680 . 0 0 "[ . 1 . 2]" 1
1692 1 79 GLN HA 1 79 GLN QG 3.800 . 3.800 2.421 2.200 3.342 . 0 0 "[ . 1 . 2]" 1
1693 1 79 GLN HA 1 80 PHE H 2.400 . 2.400 2.115 2.062 2.176 . 0 0 "[ . 1 . 2]" 1
1694 1 79 GLN HA 1 80 PHE QD 4.100 . 4.100 4.121 3.841 4.334 0.234 11 0 "[ . 1 . 2]" 1
1695 1 79 GLN QB 1 80 PHE H 3.600 . 3.600 3.252 3.073 3.779 0.179 9 0 "[ . 1 . 2]" 1
1696 1 79 GLN QG 1 80 PHE H 3.700 . 3.700 3.707 2.718 4.056 0.356 12 0 "[ . 1 . 2]" 1
1697 1 80 PHE H 1 80 PHE HB2 2.700 . 2.700 2.237 2.199 2.327 . 0 0 "[ . 1 . 2]" 1
1698 1 80 PHE H 1 80 PHE HB3 3.600 . 3.600 3.521 3.496 3.561 . 0 0 "[ . 1 . 2]" 1
1699 1 80 PHE H 1 80 PHE QD 3.000 . 3.000 2.855 2.584 3.054 0.054 6 0 "[ . 1 . 2]" 1
1700 1 80 PHE HA 1 80 PHE QD 3.500 . 3.500 2.537 2.449 2.661 . 0 0 "[ . 1 . 2]" 1
1701 1 80 PHE HA 1 80 PHE QE 4.600 . 4.600 4.377 4.302 4.481 . 0 0 "[ . 1 . 2]" 1
1702 1 80 PHE HA 1 81 VAL H 2.700 . 2.700 2.143 2.128 2.159 . 0 0 "[ . 1 . 2]" 1
1703 1 80 PHE HA 1 81 VAL QG 5.300 . 5.300 3.274 3.241 3.309 . 0 0 "[ . 1 . 2]" 1
1704 1 80 PHE HB2 1 81 VAL H 5.200 . 5.200 4.455 4.375 4.508 . 0 0 "[ . 1 . 2]" 1
1705 1 80 PHE HB3 1 81 VAL H 3.700 . 3.700 3.594 3.459 3.670 . 0 0 "[ . 1 . 2]" 1
1706 1 80 PHE QD 1 81 VAL H 4.300 . 4.300 3.747 3.549 4.033 . 0 0 "[ . 1 . 2]" 1
1707 1 81 VAL H 1 81 VAL HB 3.900 . 3.900 3.707 3.686 3.779 . 0 0 "[ . 1 . 2]" 1
1708 1 81 VAL H 1 81 VAL QG 2.700 . 2.700 1.813 1.773 1.893 0.027 13 0 "[ . 1 . 2]" 1
1709 1 81 VAL H 1 82 SER H 5.200 . 5.200 4.509 4.464 4.538 . 0 0 "[ . 1 . 2]" 1
1710 1 81 VAL HA 1 82 SER H 2.700 . 2.700 2.577 2.359 2.639 . 0 0 "[ . 1 . 2]" 1
1711 1 81 VAL HA 1 82 SER QB 4.500 . 4.500 4.410 4.086 4.579 0.079 4 0 "[ . 1 . 2]" 1
1712 1 81 VAL HB 1 82 SER H 2.800 . 2.800 2.224 2.031 2.878 0.078 12 0 "[ . 1 . 2]" 1
1713 1 81 VAL QG 1 82 SER H 4.100 . 4.100 3.073 2.976 3.403 . 0 0 "[ . 1 . 2]" 1
1714 1 82 SER H 1 82 SER QB 2.600 . 2.600 2.439 2.188 2.755 0.155 14 0 "[ . 1 . 2]" 1
1715 1 82 SER HA 1 83 THR H 2.400 . 2.400 2.181 2.151 2.207 . 0 0 "[ . 1 . 2]" 1
1716 1 82 SER HA 1 83 THR MG 5.500 . 5.500 3.714 3.575 3.951 . 0 0 "[ . 1 . 2]" 1
1717 1 82 SER QB 1 83 THR H 3.700 . 3.700 3.570 3.332 3.938 0.238 19 0 "[ . 1 . 2]" 1
1718 1 82 SER QB 1 84 LYS H 5.500 . 5.500 5.639 5.437 5.870 0.370 19 0 "[ . 1 . 2]" 1
1719 1 83 THR H 1 83 THR MG 3.100 . 3.100 2.482 2.355 2.656 . 0 0 "[ . 1 . 2]" 1
1720 1 83 THR HA 1 84 LYS H 2.800 . 2.800 2.172 2.131 2.237 . 0 0 "[ . 1 . 2]" 1
1721 1 83 THR HB 1 84 LYS H 3.200 . 3.200 2.892 2.793 3.000 . 0 0 "[ . 1 . 2]" 1
1722 1 83 THR HB 1 84 LYS HA 4.600 . 4.600 4.549 4.380 4.685 0.085 16 0 "[ . 1 . 2]" 1
1723 1 83 THR MG 1 84 LYS H 4.200 . 4.200 3.991 3.891 4.075 . 0 0 "[ . 1 . 2]" 1
1724 1 83 THR MG 1 84 LYS HA 5.500 . 5.500 5.480 5.453 5.509 0.009 17 0 "[ . 1 . 2]" 1
1725 1 84 LYS H 1 84 LYS QB . . 3.500 3.096 2.990 3.167 . 0 0 "[ . 1 . 2]" 1
1726 1 84 LYS H 1 84 LYS QE 5.500 . 5.500 4.285 2.241 5.123 . 0 0 "[ . 1 . 2]" 1
1727 1 84 LYS H 1 84 LYS QG 3.600 . 3.600 2.244 1.943 3.404 . 0 0 "[ . 1 . 2]" 1
1728 1 84 LYS H 1 85 ILE H 4.500 . 4.500 4.410 4.385 4.436 . 0 0 "[ . 1 . 2]" 1
1729 1 84 LYS H 1 85 ILE MG 5.500 . 5.500 4.957 4.784 5.090 . 0 0 "[ . 1 . 2]" 1
1730 1 84 LYS HA 1 84 LYS QE 5.500 . 5.500 4.789 3.765 5.587 0.087 18 0 "[ . 1 . 2]" 1
1731 1 84 LYS HA 1 84 LYS QG 3.600 . 3.600 3.398 3.327 3.480 . 0 0 "[ . 1 . 2]" 1
1732 1 84 LYS HA 1 85 ILE H 2.600 . 2.600 2.305 2.248 2.380 . 0 0 "[ . 1 . 2]" 1
1733 1 84 LYS HA 1 85 ILE HA 4.600 . 4.600 4.513 4.476 4.552 . 0 0 "[ . 1 . 2]" 1
1734 1 84 LYS QB 1 84 LYS QE 4.500 . 4.500 2.897 2.059 3.791 . 0 0 "[ . 1 . 2]" 1
1735 1 84 LYS QB 1 85 ILE H 3.000 . 3.000 2.603 2.353 2.816 . 0 0 "[ . 1 . 2]" 1
1736 1 84 LYS QD 1 85 ILE HA 4.000 . 4.000 3.293 2.639 4.328 0.328 19 0 "[ . 1 . 2]" 1
1737 1 84 LYS QE 1 85 ILE H 5.400 . 5.400 4.887 4.275 5.449 0.049 18 0 "[ . 1 . 2]" 1
1738 1 85 ILE H 1 85 ILE HB 4.100 . 4.100 3.431 3.344 3.497 . 0 0 "[ . 1 . 2]" 1
1739 1 85 ILE HA 1 85 ILE MD 3.800 . 3.800 3.685 3.527 3.755 . 0 0 "[ . 1 . 2]" 1
1740 1 85 ILE HA 1 85 ILE HG12 4.100 . 4.100 3.187 3.060 3.422 . 0 0 "[ . 1 . 2]" 1
1741 1 85 ILE HA 1 85 ILE QG 3.400 . 3.400 2.301 2.266 2.354 . 0 0 "[ . 1 . 2]" 1
1742 1 85 ILE HA 1 85 ILE HG13 4.100 . 4.100 2.361 2.323 2.425 . 0 0 "[ . 1 . 2]" 1
1743 1 85 ILE HA 1 86 ASN H 2.600 . 2.600 2.211 2.186 2.243 . 0 0 "[ . 1 . 2]" 1
1744 1 85 ILE HA 1 86 ASN HA 4.600 . 4.600 4.345 4.332 4.363 . 0 0 "[ . 1 . 2]" 1
1745 1 85 ILE HA 1 86 ASN HB3 5.500 . 5.500 5.112 4.657 5.251 . 0 0 "[ . 1 . 2]" 1
1746 1 85 ILE HB 1 85 ILE MD 3.500 . 3.500 2.233 2.207 2.260 . 0 0 "[ . 1 . 2]" 1
1747 1 85 ILE HB 1 86 ASN H 4.900 . 4.900 4.157 4.016 4.213 . 0 0 "[ . 1 . 2]" 1
1748 1 85 ILE MD 1 86 ASN H 4.100 . 4.100 4.141 3.921 4.249 0.149 16 0 "[ . 1 . 2]" 1
1749 1 85 ILE QG 1 86 ASN H 3.700 . 3.700 2.408 2.195 2.521 . 0 0 "[ . 1 . 2]" 1
1750 1 85 ILE MG 1 87 LEU H 4.600 . 4.600 4.190 4.034 4.305 . 0 0 "[ . 1 . 2]" 1
1751 1 86 ASN H 1 86 ASN HB2 3.000 . 3.000 2.271 2.177 2.634 . 0 0 "[ . 1 . 2]" 1
1752 1 86 ASN H 1 86 ASN HB3 3.300 . 3.300 2.909 2.471 3.040 . 0 0 "[ . 1 . 2]" 1
1753 1 86 ASN H 1 86 ASN HD21 5.000 . 5.000 4.566 4.447 4.700 . 0 0 "[ . 1 . 2]" 1
1754 1 86 ASN H 1 87 LEU H 4.500 . 4.500 4.440 4.384 4.482 . 0 0 "[ . 1 . 2]" 1
1755 1 86 ASN H 1 89 ASP H 5.400 . 5.400 5.002 4.887 5.183 . 0 0 "[ . 1 . 2]" 1
1756 1 86 ASN H 1 89 ASP HB2 5.500 . 5.500 3.984 3.876 4.152 . 0 0 "[ . 1 . 2]" 1
1757 1 86 ASN HA 1 87 LEU H 3.000 . 3.000 2.146 2.123 2.172 . 0 0 "[ . 1 . 2]" 1
1758 1 86 ASN HA 1 88 ASP H 5.000 . 5.000 3.609 3.494 3.691 . 0 0 "[ . 1 . 2]" 1
1759 1 86 ASN HA 1 89 ASP H 4.900 . 4.900 4.458 4.356 4.549 . 0 0 "[ . 1 . 2]" 1
1760 1 86 ASN HB2 1 87 LEU H 4.800 . 4.800 4.544 4.360 4.620 . 0 0 "[ . 1 . 2]" 1
1761 1 86 ASN HB3 1 86 ASN HD21 3.500 . 3.500 3.060 2.783 3.615 0.115 9 0 "[ . 1 . 2]" 1
1762 1 86 ASN HB3 1 87 LEU H 4.800 . 4.800 4.087 3.984 4.334 . 0 0 "[ . 1 . 2]" 1
1763 1 86 ASN HB3 1 88 ASP H 4.700 . 4.700 3.768 3.544 4.343 . 0 0 "[ . 1 . 2]" 1
1764 1 86 ASN HB3 1 89 ASP H 3.800 . 3.800 2.908 2.723 3.371 . 0 0 "[ . 1 . 2]" 1
1765 1 86 ASN HD21 1 88 ASP QB 3.800 . 3.800 3.443 2.220 3.783 . 0 0 "[ . 1 . 2]" 1
1766 1 86 ASN HD22 1 88 ASP H 5.100 . 5.100 3.136 2.587 3.343 . 0 0 "[ . 1 . 2]" 1
1767 1 86 ASN HD22 1 88 ASP QB 3.700 . 3.700 3.197 1.864 3.618 . 0 0 "[ . 1 . 2]" 1
1768 1 87 LEU H 1 87 LEU HB2 3.000 . 3.000 2.364 2.327 2.461 . 0 0 "[ . 1 . 2]" 1
1769 1 87 LEU H 1 87 LEU HB3 3.600 . 3.600 3.545 3.514 3.591 . 0 0 "[ . 1 . 2]" 1
1770 1 87 LEU H 1 87 LEU MD2 3.500 . 3.500 3.491 3.375 3.697 0.197 20 0 "[ . 1 . 2]" 1
1771 1 87 LEU H 1 87 LEU HG 2.800 . 2.800 2.213 2.048 2.357 . 0 0 "[ . 1 . 2]" 1
1772 1 87 LEU H 1 88 ASP H 3.000 . 3.000 2.523 2.463 2.576 . 0 0 "[ . 1 . 2]" 1
1773 1 87 LEU H 1 88 ASP QB 4.700 . 4.700 4.623 4.294 4.798 0.098 18 0 "[ . 1 . 2]" 1
1774 1 87 LEU H 1 89 ASP H 4.100 . 4.100 4.026 3.953 4.101 0.001 20 0 "[ . 1 . 2]" 1
1775 1 87 LEU H 1 91 ILE QG 5.300 . 5.300 4.955 4.830 5.084 . 0 0 "[ . 1 . 2]" 1
1776 1 87 LEU HA 1 87 LEU MD2 4.100 . 4.100 2.174 2.139 2.261 . 0 0 "[ . 1 . 2]" 1
1777 1 87 LEU HA 1 89 ASP H 3.900 . 3.900 3.586 3.487 3.692 . 0 0 "[ . 1 . 2]" 1
1778 1 87 LEU HA 1 90 HIS H 4.300 . 4.300 4.061 3.919 4.306 0.006 18 0 "[ . 1 . 2]" 1
1779 1 87 LEU HB2 1 88 ASP H 3.000 . 3.000 2.819 2.729 2.891 . 0 0 "[ . 1 . 2]" 1
1780 1 87 LEU HB3 1 88 ASP H 4.900 . 4.900 3.788 3.721 3.865 . 0 0 "[ . 1 . 2]" 1
1781 1 87 LEU HB3 1 88 ASP HA 5.300 . 5.300 4.466 4.381 4.531 . 0 0 "[ . 1 . 2]" 1
1782 1 87 LEU HB3 1 89 ASP H 5.200 . 5.200 5.054 4.936 5.179 . 0 0 "[ . 1 . 2]" 1
1783 1 87 LEU HB3 1 90 HIS H 5.300 . 5.300 5.304 5.054 5.533 0.233 14 0 "[ . 1 . 2]" 1
1784 1 87 LEU HB3 1 91 ILE H 4.500 . 4.500 4.465 4.153 4.647 0.147 14 0 "[ . 1 . 2]" 1
1785 1 87 LEU MD1 1 88 ASP H 5.500 . 5.500 4.614 4.468 4.707 . 0 0 "[ . 1 . 2]" 1
1786 1 87 LEU MD2 1 88 ASP H 5.100 . 5.100 4.748 4.706 4.849 . 0 0 "[ . 1 . 2]" 1
1787 1 87 LEU MD2 1 89 ASP H 5.400 . 5.400 5.201 5.072 5.393 . 0 0 "[ . 1 . 2]" 1
1788 1 87 LEU HG 1 88 ASP H 4.800 . 4.800 4.348 4.247 4.479 . 0 0 "[ . 1 . 2]" 1
1789 1 88 ASP H 1 88 ASP QB 2.700 . 2.700 2.463 2.155 2.632 . 0 0 "[ . 1 . 2]" 1
1790 1 88 ASP H 1 89 ASP H 3.000 . 3.000 2.607 2.534 2.654 . 0 0 "[ . 1 . 2]" 1
1791 1 88 ASP H 1 89 ASP HB2 4.900 . 4.900 4.553 4.455 4.624 . 0 0 "[ . 1 . 2]" 1
1792 1 88 ASP HA 1 90 HIS H 4.200 . 4.200 3.829 3.406 4.265 0.065 14 0 "[ . 1 . 2]" 1
1793 1 88 ASP HA 1 91 ILE H 4.000 . 4.000 4.041 3.952 4.089 0.089 4 0 "[ . 1 . 2]" 1
1794 1 88 ASP QB 1 89 ASP H 4.300 . 4.300 3.609 3.128 3.800 . 0 0 "[ . 1 . 2]" 1
1795 1 89 ASP H 1 89 ASP HB2 3.200 . 3.200 2.282 2.193 2.345 . 0 0 "[ . 1 . 2]" 1
1796 1 89 ASP H 1 89 ASP HB3 3.000 . 3.000 2.809 2.751 2.920 . 0 0 "[ . 1 . 2]" 1
1797 1 89 ASP H 1 90 HIS H 3.100 . 3.100 2.748 2.637 2.910 . 0 0 "[ . 1 . 2]" 1
1798 1 89 ASP H 1 90 HIS HA 5.400 . 5.400 5.351 5.285 5.448 0.048 20 0 "[ . 1 . 2]" 1
1799 1 89 ASP H 1 90 HIS QB 5.300 . 5.300 4.986 4.838 5.169 . 0 0 "[ . 1 . 2]" 1
1800 1 89 ASP H 1 91 ILE H 4.300 . 4.300 4.121 4.004 4.326 0.026 10 0 "[ . 1 . 2]" 1
1801 1 89 ASP HA 1 89 ASP HB2 3.000 . 3.000 2.594 2.558 2.664 . 0 0 "[ . 1 . 2]" 1
1802 1 89 ASP HA 1 91 ILE H 5.400 . 5.400 5.374 5.259 5.483 0.083 10 0 "[ . 1 . 2]" 1
1803 1 89 ASP HB2 1 90 HIS H 3.800 . 3.800 3.852 3.665 4.023 0.223 6 0 "[ . 1 . 2]" 1
1804 1 89 ASP HB3 1 90 HIS H 3.400 . 3.400 2.880 2.529 3.251 . 0 0 "[ . 1 . 2]" 1
1805 1 90 HIS H 1 90 HIS HB2 3.900 . 3.900 2.742 2.555 2.904 . 0 0 "[ . 1 . 2]" 1
1806 1 90 HIS H 1 90 HIS QB 3.200 . 3.200 2.685 2.513 2.832 . 0 0 "[ . 1 . 2]" 1
1807 1 90 HIS H 1 90 HIS HB3 3.900 . 3.900 3.840 3.721 3.934 0.034 1 0 "[ . 1 . 2]" 1
1808 1 90 HIS H 1 91 ILE H 2.500 . 2.500 1.929 1.869 2.000 . 0 0 "[ . 1 . 2]" 1
1809 1 90 HIS H 1 91 ILE MD 4.500 . 4.500 4.526 4.107 4.810 0.310 10 0 "[ . 1 . 2]" 1
1810 1 90 HIS H 1 91 ILE QG 5.000 . 5.000 3.341 3.199 3.598 . 0 0 "[ . 1 . 2]" 1
1811 1 90 HIS H 1 91 ILE MG 5.300 . 5.300 5.246 5.180 5.317 0.017 14 0 "[ . 1 . 2]" 1
1812 1 90 HIS HA 1 101 GLU H 3.700 . 3.700 3.666 3.303 3.874 0.174 11 0 "[ . 1 . 2]" 1
1813 1 90 HIS QB 1 100 TYR QD 3.000 . 3.000 2.632 2.475 2.804 . 0 0 "[ . 1 . 2]" 1
1814 1 90 HIS QB 1 100 TYR QE 3.600 . 3.600 2.225 2.176 2.329 . 0 0 "[ . 1 . 2]" 1
1815 1 90 HIS QB 1 101 GLU H 3.000 . 3.000 2.484 2.295 2.786 . 0 0 "[ . 1 . 2]" 1
1816 1 90 HIS HB2 1 91 ILE H 3.900 . 3.900 2.691 2.531 2.857 . 0 0 "[ . 1 . 2]" 1
1817 1 90 HIS HB2 1 100 TYR QE 4.200 . 4.200 2.365 2.310 2.483 . 0 0 "[ . 1 . 2]" 1
1818 1 90 HIS HB2 1 101 GLU H 3.800 . 3.800 3.941 3.629 4.127 0.327 11 0 "[ . 1 . 2]" 1
1819 1 90 HIS HB3 1 91 ILE H 3.900 . 3.900 3.614 3.468 3.775 . 0 0 "[ . 1 . 2]" 1
1820 1 90 HIS HB3 1 100 TYR QE 4.200 . 4.200 2.711 2.592 2.827 . 0 0 "[ . 1 . 2]" 1
1821 1 90 HIS HB3 1 101 GLU H 3.800 . 3.800 2.511 2.321 2.832 . 0 0 "[ . 1 . 2]" 1
1822 1 91 ILE H 1 91 ILE HB 2.900 . 2.900 2.723 2.680 2.787 . 0 0 "[ . 1 . 2]" 1
1823 1 91 ILE H 1 91 ILE MD 3.400 . 3.400 3.030 2.501 3.260 . 0 0 "[ . 1 . 2]" 1
1824 1 91 ILE H 1 91 ILE QG 3.600 . 3.600 1.885 1.778 2.131 0.022 18 0 "[ . 1 . 2]" 1
1825 1 91 ILE H 1 91 ILE MG 3.900 . 3.900 3.784 3.770 3.806 . 0 0 "[ . 1 . 2]" 1
1826 1 91 ILE H 1 92 ALA H 4.500 . 4.500 4.485 4.443 4.536 0.036 20 0 "[ . 1 . 2]" 1
1827 1 91 ILE H 1 100 TYR HA 4.700 . 4.700 4.415 4.290 4.601 . 0 0 "[ . 1 . 2]" 1
1828 1 91 ILE HA 1 92 ALA H 2.800 . 2.800 2.126 2.106 2.139 . 0 0 "[ . 1 . 2]" 1
1829 1 91 ILE HB 1 91 ILE MD 3.300 . 3.300 3.232 3.222 3.248 . 0 0 "[ . 1 . 2]" 1
1830 1 91 ILE HB 1 92 ALA H 4.300 . 4.300 4.197 4.106 4.253 . 0 0 "[ . 1 . 2]" 1
1831 1 91 ILE MD 1 92 ALA H 3.900 . 3.900 3.865 3.732 3.969 0.069 1 0 "[ . 1 . 2]" 1
1832 1 91 ILE MD 1 99 LYS HA 4.900 . 4.900 4.586 4.363 4.971 0.071 1 0 "[ . 1 . 2]" 1
1833 1 91 ILE MD 1 100 TYR H 4.300 . 4.300 4.311 3.993 4.755 0.455 1 0 "[ . 1 . 2]" 1
1834 1 91 ILE MD 1 100 TYR HB2 4.000 . 4.000 2.888 2.733 3.189 . 0 0 "[ . 1 . 2]" 1
1835 1 91 ILE MD 1 100 TYR HB3 4.000 . 4.000 4.302 4.142 4.602 0.602 12 2 "[- . 1 + . 2]" 1
1836 1 91 ILE MD 1 100 TYR QD 2.900 . 2.900 2.433 2.252 2.710 . 0 0 "[ . 1 . 2]" 1
1837 1 91 ILE MD 1 101 GLU H 4.200 . 4.200 4.162 3.991 4.456 0.256 18 0 "[ . 1 . 2]" 1
1838 1 91 ILE MG 1 92 ALA H 3.200 . 3.200 2.826 2.707 2.956 . 0 0 "[ . 1 . 2]" 1
1839 1 91 ILE MG 1 92 ALA HA 4.800 . 4.800 3.905 3.823 4.000 . 0 0 "[ . 1 . 2]" 1
1840 1 91 ILE MG 1 93 ASN H 5.400 . 5.400 5.232 5.083 5.354 . 0 0 "[ . 1 . 2]" 1
1841 1 91 ILE MG 1 99 LYS H 3.600 . 3.600 3.193 3.002 3.574 . 0 0 "[ . 1 . 2]" 1
1842 1 91 ILE MG 1 101 GLU H 5.500 . 5.500 5.214 5.039 5.506 0.006 6 0 "[ . 1 . 2]" 1
1843 1 92 ALA H 1 92 ALA MB 2.800 . 2.800 2.412 2.343 2.522 . 0 0 "[ . 1 . 2]" 1
1844 1 92 ALA H 1 93 ASN H 4.700 . 4.700 4.431 4.403 4.456 . 0 0 "[ . 1 . 2]" 1
1845 1 92 ALA H 1 98 LEU HB3 5.500 . 5.500 5.259 4.956 5.536 0.036 7 0 "[ . 1 . 2]" 1
1846 1 92 ALA H 1 98 LEU MD2 5.200 . 5.200 4.976 4.776 5.176 . 0 0 "[ . 1 . 2]" 1
1847 1 92 ALA H 1 99 LYS H 3.300 . 3.300 3.097 2.910 3.211 . 0 0 "[ . 1 . 2]" 1
1848 1 92 ALA H 1 99 LYS HB2 5.000 . 5.000 4.338 3.698 4.923 . 0 0 "[ . 1 . 2]" 1
1849 1 92 ALA H 1 99 LYS HB3 5.000 . 5.000 4.998 4.591 5.213 0.213 3 0 "[ . 1 . 2]" 1
1850 1 92 ALA H 1 100 TYR H 5.200 . 5.200 4.845 4.515 5.010 . 0 0 "[ . 1 . 2]" 1
1851 1 92 ALA H 1 100 TYR HA 3.500 . 3.500 3.348 3.154 3.545 0.045 20 0 "[ . 1 . 2]" 1
1852 1 92 ALA H 1 101 GLU H 4.200 . 4.200 3.959 3.695 4.108 . 0 0 "[ . 1 . 2]" 1
1853 1 92 ALA H 1 101 GLU QG 4.400 . 4.400 3.284 2.827 3.738 . 0 0 "[ . 1 . 2]" 1
1854 1 92 ALA HA 1 93 ASN H 2.700 . 2.700 2.510 2.390 2.576 . 0 0 "[ . 1 . 2]" 1
1855 1 92 ALA HA 1 101 GLU QG 5.500 . 5.500 4.303 4.047 4.559 . 0 0 "[ . 1 . 2]" 1
1856 1 92 ALA MB 1 93 ASN H 3.000 . 3.000 2.109 1.960 2.397 . 0 0 "[ . 1 . 2]" 1
1857 1 92 ALA MB 1 101 GLU H 4.500 . 4.500 4.083 3.890 4.324 . 0 0 "[ . 1 . 2]" 1
1858 1 93 ASN H 1 93 ASN QB 2.700 . 2.700 2.460 2.369 2.529 . 0 0 "[ . 1 . 2]" 1
1859 1 93 ASN H 1 94 ILE H 4.500 . 4.500 4.259 4.126 4.368 . 0 0 "[ . 1 . 2]" 1
1860 1 93 ASN H 1 94 ILE MD 4.600 . 4.600 3.556 3.321 4.000 . 0 0 "[ . 1 . 2]" 1
1861 1 93 ASN H 1 98 LEU MD2 5.200 . 5.200 5.038 4.880 5.289 0.089 7 0 "[ . 1 . 2]" 1
1862 1 93 ASN H 1 101 GLU QG 5.500 . 5.500 4.967 4.750 5.316 . 0 0 "[ . 1 . 2]" 1
1863 1 93 ASN HA 1 96 GLY H 5.000 . 5.000 4.567 4.405 4.711 . 0 0 "[ . 1 . 2]" 1
1864 1 93 ASN HA 1 97 THR H 4.000 . 4.000 3.969 3.701 4.305 0.305 19 0 "[ . 1 . 2]" 1
1865 1 93 ASN HA 1 98 LEU MD2 5.500 . 5.500 3.174 3.030 3.671 . 0 0 "[ . 1 . 2]" 1
1866 1 93 ASN QB 1 93 ASN QD 3.000 . 3.000 2.198 2.182 2.220 . 0 0 "[ . 1 . 2]" 1
1867 1 93 ASN QB 1 94 ILE H 3.900 . 3.900 3.855 3.815 3.913 0.013 5 0 "[ . 1 . 2]" 1
1868 1 93 ASN QB 1 96 GLY H 4.800 . 4.800 4.298 4.187 4.455 . 0 0 "[ . 1 . 2]" 1
1869 1 93 ASN QB 1 97 THR H 5.500 . 5.500 4.908 4.660 5.196 . 0 0 "[ . 1 . 2]" 1
1870 1 93 ASN QD 1 95 ASP HA 5.500 . 5.500 4.822 4.622 5.045 . 0 0 "[ . 1 . 2]" 1
1871 1 93 ASN QD 1 96 GLY H 3.800 . 3.800 2.632 2.526 2.759 . 0 0 "[ . 1 . 2]" 1
1872 1 93 ASN QD 1 96 GLY HA3 4.600 . 4.600 3.447 3.365 3.563 . 0 0 "[ . 1 . 2]" 1
1873 1 93 ASN QD 1 97 THR H 5.500 . 5.500 3.995 3.739 4.233 . 0 0 "[ . 1 . 2]" 1
1874 1 93 ASN QD 1 98 LEU MD2 5.500 . 5.500 4.725 4.551 5.303 . 0 0 "[ . 1 . 2]" 1
1875 1 94 ILE H 1 94 ILE HB 3.000 . 3.000 2.674 2.614 2.830 . 0 0 "[ . 1 . 2]" 1
1876 1 94 ILE H 1 94 ILE MD 3.800 . 3.800 3.388 3.245 3.731 . 0 0 "[ . 1 . 2]" 1
1877 1 94 ILE H 1 94 ILE QG 3.100 . 3.100 2.527 2.304 2.646 . 0 0 "[ . 1 . 2]" 1
1878 1 94 ILE H 1 94 ILE MG 4.000 . 4.000 3.888 3.869 3.910 . 0 0 "[ . 1 . 2]" 1
1879 1 94 ILE H 1 95 ASP H 4.300 . 4.300 4.161 4.030 4.291 . 0 0 "[ . 1 . 2]" 1
1880 1 94 ILE H 1 97 THR H 3.200 . 3.200 2.704 2.404 3.017 . 0 0 "[ . 1 . 2]" 1
1881 1 94 ILE H 1 97 THR HB 5.100 . 5.100 4.760 4.596 4.934 . 0 0 "[ . 1 . 2]" 1
1882 1 94 ILE H 1 98 LEU H 5.500 . 5.500 4.863 4.819 4.905 . 0 0 "[ . 1 . 2]" 1
1883 1 94 ILE H 1 98 LEU MD2 4.800 . 4.800 4.512 4.328 5.101 0.301 7 0 "[ . 1 . 2]" 1
1884 1 94 ILE H 1 99 LYS HB2 4.500 . 4.500 4.162 3.861 4.639 0.139 12 0 "[ . 1 . 2]" 1
1885 1 94 ILE H 1 99 LYS QD 4.600 . 4.600 4.216 3.147 5.269 0.669 15 3 "[ . - 1 + * 2]" 1
1886 1 94 ILE H 1 99 LYS QE 4.900 . 4.900 4.449 3.531 4.946 0.046 8 0 "[ . 1 . 2]" 1
1887 1 94 ILE HA 1 94 ILE MD 3.200 . 3.200 2.171 2.123 2.251 . 0 0 "[ . 1 . 2]" 1
1888 1 94 ILE HA 1 94 ILE QG 3.400 . 3.400 3.076 2.994 3.132 . 0 0 "[ . 1 . 2]" 1
1889 1 94 ILE HA 1 94 ILE MG 3.200 . 3.200 2.258 2.220 2.278 . 0 0 "[ . 1 . 2]" 1
1890 1 94 ILE HA 1 95 ASP H 2.500 . 2.500 2.156 2.124 2.193 . 0 0 "[ . 1 . 2]" 1
1891 1 94 ILE HA 1 95 ASP QB . . 4.500 4.115 3.904 4.339 . 0 0 "[ . 1 . 2]" 1
1892 1 94 ILE HA 1 97 THR H 4.500 . 4.500 4.273 4.146 4.479 . 0 0 "[ . 1 . 2]" 1
1893 1 94 ILE HA 1 99 LYS QD 5.500 . 5.500 5.370 4.582 6.734 1.234 7 3 "[* . + 1 - . 2]" 1
1894 1 94 ILE HB 1 95 ASP H 4.500 . 4.500 4.298 4.189 4.382 . 0 0 "[ . 1 . 2]" 1
1895 1 94 ILE HB 1 96 GLY H 5.300 . 5.300 4.995 4.773 5.239 . 0 0 "[ . 1 . 2]" 1
1896 1 94 ILE HB 1 97 THR H 4.100 . 4.100 3.827 3.638 4.038 . 0 0 "[ . 1 . 2]" 1
1897 1 94 ILE HB 1 97 THR HB 5.100 . 5.100 4.619 4.334 5.001 . 0 0 "[ . 1 . 2]" 1
1898 1 94 ILE MD 1 95 ASP H 4.000 . 4.000 3.920 3.750 4.129 0.129 6 0 "[ . 1 . 2]" 1
1899 1 94 ILE MD 1 96 GLY H 5.500 . 5.500 5.248 5.091 5.484 . 0 0 "[ . 1 . 2]" 1
1900 1 94 ILE MD 1 97 THR H 5.500 . 5.500 5.311 5.113 5.511 0.011 19 0 "[ . 1 . 2]" 1
1901 1 94 ILE MG 1 95 ASP H 3.300 . 3.300 3.089 2.791 3.288 . 0 0 "[ . 1 . 2]" 1
1902 1 94 ILE MG 1 95 ASP QB 4.000 . 4.000 2.837 2.575 3.114 . 0 0 "[ . 1 . 2]" 1
1903 1 94 ILE MG 1 96 GLY H 5.100 . 5.100 4.780 4.598 4.955 . 0 0 "[ . 1 . 2]" 1
1904 1 94 ILE MG 1 97 THR H 4.800 . 4.800 4.545 4.412 4.829 0.029 6 0 "[ . 1 . 2]" 1
1905 1 94 ILE MG 1 99 LYS QE 4.800 . 4.800 3.257 2.430 3.746 . 0 0 "[ . 1 . 2]" 1
1906 1 95 ASP H 1 95 ASP HA 2.800 . 2.800 2.287 2.278 2.299 . 0 0 "[ . 1 . 2]" 1
1907 1 95 ASP H 1 95 ASP QB . . 3.200 2.971 2.872 3.182 . 0 0 "[ . 1 . 2]" 1
1908 1 95 ASP H 1 96 GLY H 3.000 . 3.000 2.719 2.611 2.845 . 0 0 "[ . 1 . 2]" 1
1909 1 95 ASP H 1 96 GLY HA2 5.000 . 5.000 5.026 4.914 5.159 0.159 4 0 "[ . 1 . 2]" 1
1910 1 95 ASP H 1 97 THR H 5.200 . 5.200 4.091 3.971 4.206 . 0 0 "[ . 1 . 2]" 1
1911 1 95 ASP HA 1 96 GLY H 3.100 . 3.100 2.923 2.870 2.975 . 0 0 "[ . 1 . 2]" 1
1912 1 95 ASP QB 1 96 GLY H 4.500 . 4.500 3.898 3.778 4.066 . 0 0 "[ . 1 . 2]" 1
1913 1 95 ASP QB 1 97 THR H 4.200 . 4.200 4.079 3.460 4.812 0.612 2 5 "[ +-*. 1 .* * 2]" 1
1914 1 95 ASP QB 1 97 THR MG 5.500 . 5.500 3.383 2.798 4.221 . 0 0 "[ . 1 . 2]" 1
1915 1 96 GLY H 1 96 GLY HA2 2.800 . 2.800 2.321 2.307 2.350 . 0 0 "[ . 1 . 2]" 1
1916 1 96 GLY H 1 97 THR H 2.900 . 2.900 2.417 2.331 2.554 . 0 0 "[ . 1 . 2]" 1
1917 1 96 GLY H 1 97 THR HA 5.200 . 5.200 5.113 5.039 5.169 . 0 0 "[ . 1 . 2]" 1
1918 1 96 GLY H 1 97 THR MG 4.100 . 4.100 4.151 3.973 4.365 0.265 8 0 "[ . 1 . 2]" 1
1919 1 96 GLY HA2 1 97 THR H 3.400 . 3.400 3.135 2.971 3.297 . 0 0 "[ . 1 . 2]" 1
1920 1 96 GLY HA2 1 97 THR MG 4.600 . 4.600 4.442 4.278 4.672 0.072 8 0 "[ . 1 . 2]" 1
1921 1 97 THR H 1 97 THR HB 4.100 . 4.100 3.780 3.694 3.855 . 0 0 "[ . 1 . 2]" 1
1922 1 97 THR H 1 97 THR MG 3.400 . 3.400 2.582 2.383 2.766 . 0 0 "[ . 1 . 2]" 1
1923 1 97 THR H 1 98 LEU H 4.600 . 4.600 4.499 4.418 4.577 . 0 0 "[ . 1 . 2]" 1
1924 1 97 THR H 1 98 LEU HA 5.200 . 5.200 4.995 4.850 5.184 . 0 0 "[ . 1 . 2]" 1
1925 1 97 THR H 1 98 LEU MD2 5.500 . 5.500 4.934 4.618 5.647 0.147 7 0 "[ . 1 . 2]" 1
1926 1 97 THR HA 1 97 THR MG 3.500 . 3.500 2.420 2.324 2.472 . 0 0 "[ . 1 . 2]" 1
1927 1 97 THR HA 1 98 LEU H 2.600 . 2.600 2.275 2.226 2.336 . 0 0 "[ . 1 . 2]" 1
1928 1 97 THR HB 1 98 LEU H 4.100 . 4.100 2.860 2.715 3.001 . 0 0 "[ . 1 . 2]" 1
1929 1 97 THR HB 1 99 LYS QD 5.000 . 5.000 3.989 2.579 5.292 0.292 5 0 "[ . 1 . 2]" 1
1930 1 97 THR HB 1 99 LYS QE 3.900 . 3.900 3.212 2.488 3.964 0.064 2 0 "[ . 1 . 2]" 1
1931 1 98 LEU H 1 98 LEU HB2 3.000 . 3.000 2.559 2.442 2.596 . 0 0 "[ . 1 . 2]" 1
1932 1 98 LEU H 1 98 LEU HB3 3.800 . 3.800 3.639 3.611 3.667 . 0 0 "[ . 1 . 2]" 1
1933 1 98 LEU H 1 98 LEU MD1 4.000 . 4.000 3.560 3.211 3.650 . 0 0 "[ . 1 . 2]" 1
1934 1 98 LEU H 1 98 LEU MD2 4.200 . 4.200 3.355 3.105 3.838 . 0 0 "[ . 1 . 2]" 1
1935 1 98 LEU H 1 98 LEU HG 3.000 . 3.000 2.190 2.079 2.407 . 0 0 "[ . 1 . 2]" 1
1936 1 98 LEU H 1 99 LYS H 4.600 . 4.600 4.481 4.407 4.546 . 0 0 "[ . 1 . 2]" 1
1937 1 98 LEU H 1 99 LYS HA 5.500 . 5.500 5.397 5.292 5.480 . 0 0 "[ . 1 . 2]" 1
1938 1 98 LEU HA 1 98 LEU MD2 4.500 . 4.500 2.194 2.130 2.290 . 0 0 "[ . 1 . 2]" 1
1939 1 98 LEU HB3 1 99 LYS H 3.500 . 3.500 3.354 3.140 3.564 0.064 1 0 "[ . 1 . 2]" 1
1940 1 98 LEU MD2 1 99 LYS H 4.400 . 4.400 3.756 3.586 3.841 . 0 0 "[ . 1 . 2]" 1
1941 1 99 LYS H 1 99 LYS HB2 3.100 . 3.100 2.776 2.540 2.991 . 0 0 "[ . 1 . 2]" 1
1942 1 99 LYS H 1 99 LYS HB3 3.800 . 3.800 3.804 3.596 3.894 0.094 12 0 "[ . 1 . 2]" 1
1943 1 99 LYS H 1 99 LYS QG 4.000 . 4.000 3.442 2.497 4.065 0.065 10 0 "[ . 1 . 2]" 1
1944 1 99 LYS HA 1 100 TYR H 2.500 . 2.500 2.347 2.209 2.493 . 0 0 "[ . 1 . 2]" 1
1945 1 99 LYS HB2 1 99 LYS QE 4.100 . 4.100 3.680 2.331 4.550 0.450 7 0 "[ . 1 . 2]" 1
1946 1 99 LYS HB3 1 100 TYR H 3.000 . 3.000 2.568 2.254 3.265 0.265 15 0 "[ . 1 . 2]" 1
1947 1 99 LYS HB3 1 100 TYR QB 5.200 . 5.200 4.439 4.254 4.875 . 0 0 "[ . 1 . 2]" 1
1948 1 99 LYS HB3 1 100 TYR QD 5.500 . 5.500 5.870 5.657 6.143 0.643 12 3 "[ . 1 + * - 2]" 1
1949 1 100 TYR H 1 100 TYR QB 3.100 . 3.100 2.281 2.218 2.407 . 0 0 "[ . 1 . 2]" 1
1950 1 100 TYR H 1 100 TYR QD 4.000 . 4.000 4.145 4.086 4.221 0.221 12 0 "[ . 1 . 2]" 1
1951 1 100 TYR H 1 101 GLU HA 5.300 . 5.300 5.204 4.925 5.394 0.094 2 0 "[ . 1 . 2]" 1
1952 1 100 TYR HA 1 100 TYR QD 3.300 . 3.300 2.829 2.457 3.071 . 0 0 "[ . 1 . 2]" 1
1953 1 100 TYR QB 1 101 GLU H 4.200 . 4.200 3.699 3.636 3.760 . 0 0 "[ . 1 . 2]" 1
1954 1 100 TYR QD 1 101 GLU H 3.600 . 3.600 3.381 3.188 3.495 . 0 0 "[ . 1 . 2]" 1
1955 1 100 TYR QD 1 101 GLU HA 4.200 . 4.200 3.977 3.578 4.388 0.188 12 0 "[ . 1 . 2]" 1
1956 1 100 TYR QE 1 101 GLU H 4.600 . 4.600 4.275 4.161 4.390 . 0 0 "[ . 1 . 2]" 1
1957 1 101 GLU H 1 101 GLU HB2 3.900 . 3.900 2.566 2.281 2.818 . 0 0 "[ . 1 . 2]" 1
1958 1 101 GLU H 1 101 GLU QB 3.300 . 3.300 2.522 2.255 2.753 . 0 0 "[ . 1 . 2]" 1
1959 1 101 GLU H 1 101 GLU HB3 3.900 . 3.900 3.722 3.550 3.859 . 0 0 "[ . 1 . 2]" 1
1960 1 101 GLU H 1 101 GLU QG 3.300 . 3.300 2.775 2.371 3.140 . 0 0 "[ . 1 . 2]" 1
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