NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
380529 |
1ifw   |
5053 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ifw
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 898
_Distance_constraint_stats_list.Viol_count 2329
_Distance_constraint_stats_list.Viol_total 13145.663
_Distance_constraint_stats_list.Viol_max 2.128
_Distance_constraint_stats_list.Viol_rms 0.1011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0163
_Distance_constraint_stats_list.Viol_average_violations_only 0.1881
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 3 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 7 ARG 0.098 0.039 1 0 "[ . 1 . 2 . 3]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 ASP 0.021 0.020 8 0 "[ . 1 . 2 . 3]"
1 12 ASN 0.133 0.063 17 0 "[ . 1 . 2 . 3]"
1 13 ASN 0.103 0.071 29 0 "[ . 1 . 2 . 3]"
1 14 GLN 6.188 0.543 27 1 "[ . 1 . 2 . + 3]"
1 15 PHE 8.042 0.794 20 4 "[ .* 1 . + .*- 3]"
1 16 TYR 3.451 0.651 28 2 "[ . 1 . 2 . -+ 3]"
1 17 GLN 3.483 0.651 28 3 "[ . 1 . - . *+ 3]"
1 18 GLN 6.859 0.502 4 1 "[ +. 1 . 2 . 3]"
1 19 LYS 4.683 0.611 19 2 "[ . -1 . +2 . 3]"
1 20 GLN 9.323 0.611 19 5 "[ . -* . +2 * . *]"
1 21 ARG 7.442 0.588 10 3 "[ . + . 2 * . -]"
1 22 GLN 2.324 0.203 25 0 "[ . 1 . 2 . 3]"
1 23 ALA 1.695 0.101 24 0 "[ . 1 . 2 . 3]"
1 24 LEU 11.347 0.488 30 0 "[ . 1 . 2 . 3]"
1 25 GLY 0.777 0.063 8 0 "[ . 1 . 2 . 3]"
1 26 GLU 6.343 0.457 25 0 "[ . 1 . 2 . 3]"
1 27 GLN 7.753 0.992 16 1 "[ . 1 .+ 2 . 3]"
1 28 LEU 4.586 0.992 16 1 "[ . 1 .+ 2 . 3]"
1 29 TYR 14.583 0.482 11 0 "[ . 1 . 2 . 3]"
1 30 LYS 0.154 0.044 5 0 "[ . 1 . 2 . 3]"
1 31 LYS 6.892 0.224 1 0 "[ . 1 . 2 . 3]"
1 32 VAL 6.335 0.154 30 0 "[ . 1 . 2 . 3]"
1 33 SER 0.406 0.060 28 0 "[ . 1 . 2 . 3]"
1 34 ALA 0.490 0.127 2 0 "[ . 1 . 2 . 3]"
1 35 LYS 1.170 0.087 2 0 "[ . 1 . 2 . 3]"
1 36 THR 0.112 0.030 29 0 "[ . 1 . 2 . 3]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 ASN 9.902 0.718 9 2 "[ . +1 - 2 . 3]"
1 39 GLU 0.181 0.072 8 0 "[ . 1 . 2 . 3]"
1 40 GLU 3.524 0.569 8 1 "[ . + 1 . 2 . 3]"
1 41 ALA 36.958 1.752 25 18 "[* * -*** ** *** ***+** *3]"
1 42 ALA 3.029 0.100 14 0 "[ . 1 . 2 . 3]"
1 43 GLY 0.593 0.221 25 0 "[ . 1 . 2 . 3]"
1 44 LYS 3.675 0.290 14 0 "[ . 1 . 2 . 3]"
1 45 ILE 121.369 2.128 25 16 "[* * ** ** *** **-+** *3]"
1 46 THR 13.820 0.482 11 0 "[ . 1 . 2 . 3]"
1 47 GLY 3.261 0.147 29 0 "[ . 1 . 2 . 3]"
1 48 MET 18.287 0.515 18 1 "[ . 1 . + 2 . 3]"
1 49 ILE 30.920 1.174 25 23 "[* *** -*** ******* ***+** **]"
1 50 LEU 1.233 0.139 15 0 "[ . 1 . 2 . 3]"
1 51 ASP 2.458 0.821 4 3 "[ +- 1 .* 2 . 3]"
1 52 LEU 2.672 0.191 20 0 "[ . 1 . 2 . 3]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 55 GLN 6.520 0.534 30 9 "[ * . * * . - 2 *.* **+]"
1 56 GLU 0.856 0.179 16 0 "[ . 1 . 2 . 3]"
1 57 VAL 4.945 0.113 21 0 "[ . 1 . 2 . 3]"
1 58 PHE 16.173 0.488 30 0 "[ . 1 . 2 . 3]"
1 60 LEU 9.071 0.692 30 3 "[ . 1 . - * . +]"
1 61 LEU 3.186 0.597 16 1 "[ . 1 .+ 2 . 3]"
1 62 GLU 2.203 0.830 25 2 "[ . 1 .- 2 + 3]"
1 63 SER 0.705 0.148 11 0 "[ . 1 . 2 . 3]"
1 64 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 65 GLU 6.403 0.371 17 0 "[ . 1 . 2 . 3]"
1 66 LEU 24.278 1.331 23 25 "[******-***** *.* **2**+******3]"
1 67 PHE 21.267 0.516 20 1 "[ . 1 . + . 3]"
1 68 GLU 32.533 0.587 13 5 "[ .* 1 *+ . * . - 3]"
1 69 GLN 9.171 0.587 13 3 "[ .* 1 + . 2 . - 3]"
1 70 HIS 30.364 1.331 23 28 "[******-***** *.*******+*******]"
1 71 TYR 3.563 0.445 4 0 "[ . 1 . 2 . 3]"
1 72 LYS 27.999 1.174 25 23 "[* *** **** ******* ***+** **]"
1 73 GLU 6.225 0.884 19 5 "[ . *1 * +* - 3]"
1 74 ALA 6.115 0.417 24 0 "[ . 1 . 2 . 3]"
1 75 SER 18.704 1.027 15 16 "[* * ** *+ *** **-*** *3]"
1 76 ALA 0.325 0.060 17 0 "[ . 1 . 2 . 3]"
1 77 ALA 2.007 0.095 8 0 "[ . 1 . 2 . 3]"
1 78 TYR 36.444 1.091 20 16 "[* * ** ** **+ -***** *3]"
1 79 GLU 5.129 0.782 17 3 "[ . 1 -. + 2 * 3]"
1 80 SER 7.370 0.824 23 5 "[ - .* 1 . 2 +** 3]"
1 81 PHE 8.506 0.824 23 5 "[ - .* 1 . 2 +** 3]"
1 82 LYS 45.415 2.128 25 17 "[* * *** ** *** ***+** *3]"
1 83 LYS 0.438 0.141 10 0 "[ . 1 . 2 . 3]"
1 84 GLU 0.454 0.141 10 0 "[ . 1 . 2 . 3]"
1 85 GLN 14.373 0.669 13 12 "[ *** 1- +*.** *2 * . * *]"
1 86 GLU 22.844 0.712 20 19 "[****** -*** **.** *+ * . * *]"
1 87 GLN 2.188 0.650 29 3 "[ . -1 . 2 * . +3]"
1 88 GLN 6.665 0.428 12 0 "[ . 1 . 2 . 3]"
1 89 THR 0.281 0.071 11 0 "[ . 1 . 2 . 3]"
1 90 GLU 0.268 0.071 11 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 3 LEU H 3.700 . 5.400 2.827 2.148 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 3 LEU H 1 3 LEU QB 3.500 . 5.000 2.396 2.046 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 3 LEU HA 1 4 GLY H 3.400 . 4.800 2.600 2.138 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 4 GLY H 1 4 GLY HA2 2.800 . 3.800 2.919 2.874 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 4 GLY HA3 1 5 SER H 3.000 . 4.100 3.008 2.135 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 7 ARG H 1 7 ARG HB2 2.700 . 3.600 2.553 2.088 3.639 0.039 1 0 "[ . 1 . 2 . 3]" 1
7 1 7 ARG H 1 7 ARG HB3 3.400 . 4.800 3.268 2.668 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 7 ARG H 1 7 ARG HG2 3.600 . 5.200 3.603 2.022 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 7 ARG HA 1 8 ASN H 2.500 . 3.300 2.423 2.140 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 7 ARG HB2 1 8 ASN H 4.600 . 5.500 4.028 2.453 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 7 ARG HB3 1 8 ASN H 4.400 . 5.500 3.570 2.023 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 8 ASN H 1 8 ASN HB2 3.600 . 5.200 2.311 2.103 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 8 ASN H 1 8 ASN HB3 3.400 . 4.800 3.275 2.536 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 8 ASN HB2 1 9 ALA H 3.700 . 5.400 3.970 2.441 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 9 ALA H 1 9 ALA MB 2.700 . 3.600 2.139 2.029 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 9 ALA HA 1 10 ASN H 2.900 . 4.000 2.470 2.141 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 9 ALA MB 1 10 ASN H 3.500 . 5.000 3.084 2.111 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 10 ASN H 1 10 ASN HA 2.900 . 4.000 2.924 2.878 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 10 ASN H 1 10 ASN HB2 3.000 . 4.100 2.639 2.153 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 10 ASN H 1 10 ASN HB3 3.700 . 5.400 3.218 2.558 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 10 ASN H 1 11 ASP H 3.600 . 5.200 3.461 2.033 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 10 ASN HA 1 11 ASP H 2.700 . 3.600 2.808 2.136 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 10 ASN HB3 1 11 ASP H 3.700 . 5.400 3.403 2.239 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 11 ASP H 1 11 ASP HA 3.000 . 4.100 2.892 2.832 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 11 ASP H 1 11 ASP QB 2.400 . 3.100 2.347 2.109 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 11 ASP H 1 12 ASN H 3.400 . 4.800 3.999 2.216 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 11 ASP HA 1 12 ASN H 2.600 . 3.400 2.458 2.142 3.420 0.020 8 0 "[ . 1 . 2 . 3]" 1
28 1 11 ASP QB 1 12 ASN H 3.300 . 4.700 3.334 2.103 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 12 ASN H 1 12 ASN HB2 3.200 . 4.500 2.426 2.103 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 12 ASN H 1 12 ASN QB 3.000 . 4.100 2.293 2.082 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 12 ASN H 1 12 ASN HB3 2.700 . 3.600 3.275 2.623 3.663 0.063 17 0 "[ . 1 . 2 . 3]" 1
32 1 12 ASN HA 1 13 ASN H 2.400 . 3.100 2.308 2.132 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 13 ASN H 1 13 ASN QB 2.200 . 2.800 2.469 2.050 2.833 0.033 29 0 "[ . 1 . 2 . 3]" 1
34 1 13 ASN HA 1 14 GLN H 2.600 . 3.400 2.499 2.138 3.471 0.071 29 0 "[ . 1 . 2 . 3]" 1
35 1 13 ASN QB 1 14 GLN H 3.100 . 4.300 3.446 2.422 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 14 GLN H 1 14 GLN HA 2.700 . 3.600 2.896 2.844 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 14 GLN H 1 14 GLN HB2 2.600 . 3.400 2.462 2.109 3.610 0.210 3 0 "[ . 1 . 2 . 3]" 1
38 1 14 GLN H 1 14 GLN HB3 2.700 . 3.600 3.189 2.589 3.663 0.063 25 0 "[ . 1 . 2 . 3]" 1
39 1 14 GLN H 1 14 GLN QG 3.000 . 4.100 3.383 1.893 4.108 0.008 26 0 "[ . 1 . 2 . 3]" 1
40 1 14 GLN H 1 15 PHE H 2.900 . 4.000 3.194 2.180 4.044 0.044 19 0 "[ . 1 . 2 . 3]" 1
41 1 14 GLN HA 1 15 PHE H 2.700 . 3.600 2.876 2.242 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 14 GLN HB2 1 15 PHE H 3.700 . 5.400 4.030 2.262 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 14 GLN HB3 1 15 PHE H 2.900 . 4.000 3.877 2.135 4.543 0.543 27 1 "[ . 1 . 2 . + 3]" 1
44 1 14 GLN QG 1 15 PHE H 3.400 . 4.800 4.147 2.357 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 15 PHE H 1 15 PHE HA 2.600 . 3.400 2.887 2.819 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 15 PHE H 1 15 PHE HB2 2.200 . 2.800 2.448 2.088 3.594 0.794 20 3 "[ .* 1 . + .- 3]" 1
47 1 15 PHE H 1 15 PHE QD 3.400 . 4.800 3.264 2.048 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 15 PHE H 1 16 TYR H 2.500 . 3.300 2.775 2.274 3.313 0.013 4 0 "[ . 1 . 2 . 3]" 1
49 1 15 PHE HA 1 15 PHE QB 2.200 . 2.800 2.436 2.165 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 15 PHE HA 1 15 PHE QD 2.700 . 3.600 2.805 1.936 3.687 0.087 20 0 "[ . 1 . 2 . 3]" 1
51 1 15 PHE HA 1 16 TYR H 2.600 . 3.400 3.133 2.645 3.487 0.087 28 0 "[ . 1 . 2 . 3]" 1
52 1 15 PHE QB 1 15 PHE QD 2.300 . 3.000 2.133 2.116 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 16 TYR H 1 16 TYR HA 2.600 . 3.400 2.880 2.807 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 16 TYR H 1 16 TYR HB2 2.700 . 3.600 2.720 2.163 3.634 0.034 27 0 "[ . 1 . 2 . 3]" 1
55 1 16 TYR H 1 16 TYR HB3 2.700 . 3.600 2.727 2.437 3.114 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 16 TYR H 1 16 TYR QD 2.800 . 5.500 3.757 1.612 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 16 TYR H 1 17 GLN H 2.500 . 3.300 2.531 2.201 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 16 TYR HA 1 16 TYR HB3 2.600 . 3.400 2.878 2.310 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 16 TYR HA 1 16 TYR QD 2.700 . 3.600 2.938 2.060 3.672 0.072 13 0 "[ . 1 . 2 . 3]" 1
60 1 16 TYR HA 1 16 TYR QE 3.800 . 5.500 4.736 4.309 5.611 0.111 13 0 "[ . 1 . 2 . 3]" 1
61 1 16 TYR HA 1 17 GLN H 2.500 . 5.500 3.533 3.321 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 16 TYR HB2 1 17 GLN H 3.000 . 4.100 3.616 3.009 4.188 0.088 13 0 "[ . 1 . 2 . 3]" 1
63 1 16 TYR HB3 1 16 TYR QD 2.200 . 2.800 2.422 2.278 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 16 TYR HB3 1 17 GLN H 2.800 . 3.800 2.683 1.963 4.451 0.651 28 2 "[ . 1 . 2 . -+ 3]" 1
65 1 16 TYR QD 1 17 GLN H 3.600 . 5.200 3.456 2.270 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 16 TYR QD 1 17 GLN HA 3.200 . 4.500 3.665 2.794 4.501 0.001 3 0 "[ . 1 . 2 . 3]" 1
67 1 16 TYR QD 1 17 GLN QG 3.300 . 4.700 2.970 2.270 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 16 TYR QE 1 17 GLN QG 3.600 . 5.200 4.260 2.429 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 17 GLN H 1 17 GLN HA 2.500 . 3.300 2.876 2.811 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 17 GLN H 1 17 GLN HB2 2.400 . 3.100 2.413 2.113 3.621 0.521 20 1 "[ . 1 . + . 3]" 1
71 1 17 GLN H 1 17 GLN HB3 2.900 . 4.000 3.506 2.956 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 17 GLN H 1 17 GLN QG 2.500 . 3.300 2.716 1.831 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 17 GLN HB2 1 18 GLN H 3.500 . 5.000 3.847 2.330 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 18 GLN H 1 18 GLN HA 2.400 . 3.100 2.839 2.777 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 18 GLN H 1 18 GLN QB 2.200 . 2.800 2.255 2.037 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 18 GLN H 1 18 GLN HB3 2.400 . 3.100 3.176 2.567 3.602 0.502 4 1 "[ +. 1 . 2 . 3]" 1
77 1 18 GLN H 1 18 GLN QG 3.000 . 4.100 3.209 2.080 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 18 GLN HA 1 21 ARG H 3.000 . 4.100 3.606 3.144 4.132 0.032 13 0 "[ . 1 . 2 . 3]" 1
79 1 18 GLN QB 1 19 LYS H 2.600 . 3.400 2.850 2.261 3.402 0.002 27 0 "[ . 1 . 2 . 3]" 1
80 1 19 LYS H 1 19 LYS HB2 2.300 . 3.000 2.268 2.076 3.579 0.579 19 1 "[ . 1 . +2 . 3]" 1
81 1 19 LYS H 1 19 LYS QB 2.300 . 3.000 2.167 2.054 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 19 LYS H 1 19 LYS HG2 3.400 . 4.800 4.015 2.083 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 19 LYS H 1 19 LYS HG3 3.500 . 5.000 3.946 2.400 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 19 LYS H 1 20 GLN H 2.700 . 3.600 2.572 2.365 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 19 LYS HA 1 20 GLN H 2.600 . 3.400 3.449 3.408 3.490 0.090 19 0 "[ . 1 . 2 . 3]" 1
86 1 19 LYS HB3 1 20 GLN H 2.600 . 3.400 3.278 2.742 4.011 0.611 19 2 "[ . -1 . +2 . 3]" 1
87 1 20 GLN H 1 20 GLN HA 2.600 . 3.400 2.848 2.768 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 20 GLN H 1 20 GLN HB2 2.700 . 3.600 2.387 2.062 3.645 0.045 10 0 "[ . 1 . 2 . 3]" 1
89 1 20 GLN H 1 20 GLN HG2 3.200 . 4.500 3.398 1.988 4.566 0.066 7 0 "[ . 1 . 2 . 3]" 1
90 1 20 GLN H 1 20 GLN QG 2.700 . 3.600 2.820 1.975 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 20 GLN H 1 20 GLN HG3 2.800 . 3.800 3.226 2.221 4.026 0.226 26 0 "[ . 1 . 2 . 3]" 1
92 1 20 GLN HA 1 21 ARG H 2.800 . 3.800 3.534 3.487 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 20 GLN HA 1 22 GLN H 3.900 . 5.500 4.878 4.660 5.148 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 20 GLN HB3 1 21 ARG H 2.500 . 3.300 3.286 2.638 3.888 0.588 10 3 "[ . + . 2 * . -]" 1
95 1 21 ARG H 1 21 ARG HA 2.400 . 3.100 2.779 2.719 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 21 ARG H 1 21 ARG HB2 2.100 . 2.700 2.292 2.088 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 21 ARG H 1 21 ARG QD 4.000 . 5.500 3.813 2.437 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 21 ARG H 1 21 ARG HG2 3.600 . 5.200 3.859 2.826 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 21 ARG H 1 21 ARG HG3 3.100 . 4.300 2.998 2.061 4.342 0.042 9 0 "[ . 1 . 2 . 3]" 1
100 1 21 ARG HA 1 22 GLN H 2.800 . 3.800 3.565 3.543 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 21 ARG HA 1 55 GLN H 3.500 . 5.000 4.995 4.713 5.078 0.078 5 0 "[ . 1 . 2 . 3]" 1
102 1 21 ARG QB 1 23 ALA H 3.000 . 4.100 4.155 4.101 4.201 0.101 24 0 "[ . 1 . 2 . 3]" 1
103 1 21 ARG HB2 1 22 GLN H 2.500 . 3.300 2.601 2.122 3.503 0.203 25 0 "[ . 1 . 2 . 3]" 1
104 1 22 GLN H 1 22 GLN HA 2.400 . 3.100 2.834 2.799 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 22 GLN H 1 22 GLN QB 2.100 . 2.700 2.200 2.057 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 22 GLN H 1 22 GLN HG2 3.200 . 4.500 4.022 2.218 4.691 0.191 25 0 "[ . 1 . 2 . 3]" 1
107 1 22 GLN H 1 22 GLN QG 3.900 . 5.500 3.382 2.094 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 22 GLN H 1 22 GLN HG3 3.100 . 4.300 3.729 2.189 4.503 0.203 13 0 "[ . 1 . 2 . 3]" 1
109 1 22 GLN H 1 23 ALA H 2.500 . 3.300 2.599 2.464 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 22 GLN HA 1 23 ALA H 2.900 . 4.000 3.403 3.333 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 22 GLN QB 1 23 ALA H 2.600 . 3.400 3.151 2.961 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 23 ALA H 1 23 ALA HA 2.600 . 3.400 2.826 2.779 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 23 ALA H 1 23 ALA MB 2.100 . 2.700 2.128 2.033 2.277 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 23 ALA H 1 24 LEU H 2.400 . 3.100 3.004 2.831 3.126 0.026 22 0 "[ . 1 . 2 . 3]" 1
115 1 23 ALA HA 1 23 ALA MB 1.900 . 2.400 2.102 2.084 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 23 ALA HA 1 24 LEU H 2.700 . 3.600 3.560 3.545 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 23 ALA HA 1 26 GLU H 3.300 . 4.700 3.885 3.729 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 23 ALA MB 1 24 LEU H 2.000 . 2.500 2.039 1.856 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 24 LEU H 1 24 LEU HA 2.500 . 3.300 2.821 2.791 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 24 LEU H 1 24 LEU HB2 2.300 . 3.000 2.153 2.110 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 24 LEU H 1 24 LEU QD 3.200 . 4.500 2.214 2.085 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 24 LEU H 1 25 GLY H 2.500 . 3.300 2.606 2.518 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 24 LEU H 1 58 PHE HB3 3.600 . 5.500 5.844 5.165 5.988 0.488 30 0 "[ . 1 . 2 . 3]" 1
124 1 24 LEU H 1 61 LEU QD 3.700 . 5.400 4.092 3.911 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 24 LEU HA 1 24 LEU HB3 2.300 . 3.000 2.681 2.614 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 24 LEU HA 1 24 LEU QD 2.900 . 3.300 1.843 1.725 2.009 0.075 13 0 "[ . 1 . 2 . 3]" 1
127 1 24 LEU HA 1 25 GLY H 3.000 . 4.100 3.518 3.499 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 24 LEU HA 1 61 LEU QD 2.800 . 3.800 2.678 2.533 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 24 LEU QB 1 58 PHE HA 4.000 . 5.000 2.216 1.996 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 24 LEU HB2 1 24 LEU QD 2.600 . 3.400 2.289 2.220 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 24 LEU HB2 1 25 GLY H 2.900 . 4.000 2.974 2.850 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 24 LEU HB2 1 58 PHE QD 3.100 . 4.300 2.882 2.611 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 24 LEU HB3 1 24 LEU QD 2.500 . 3.300 2.336 2.245 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 24 LEU HB3 1 25 GLY H 2.700 . 3.600 3.443 3.300 3.619 0.019 11 0 "[ . 1 . 2 . 3]" 1
135 1 24 LEU HB3 1 58 PHE QD 3.300 . 4.700 2.576 2.276 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 24 LEU QD 1 25 GLY H 4.400 . 5.500 3.899 3.833 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 24 LEU QD 1 27 GLN H 3.600 . 5.200 4.125 3.828 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 24 LEU QD 1 30 LYS QD 2.000 . 5.500 5.246 5.087 5.378 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 24 LEU QD 1 58 PHE HA 4.000 . 5.000 3.234 2.979 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 24 LEU QD 1 58 PHE HB3 3.100 . 4.300 3.117 2.592 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 24 LEU QD 1 58 PHE QD 2.500 . 3.300 3.159 3.069 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 24 LEU QD 1 61 LEU QD 2.600 . 3.400 1.847 1.703 2.161 0.097 15 0 "[ . 1 . 2 . 3]" 1
143 1 25 GLY H 1 25 GLY HA2 2.300 . 3.000 2.811 2.804 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 25 GLY H 1 25 GLY HA3 2.200 . 2.800 2.303 2.295 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 25 GLY H 1 26 GLU H 2.700 . 3.600 2.689 2.630 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 25 GLY H 1 27 GLN H 4.200 . 5.500 3.993 3.912 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 25 GLY H 1 61 LEU QD 3.400 . 4.800 3.225 3.043 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 25 GLY QA 1 58 PHE H 4.000 . 5.000 5.021 4.959 5.063 0.063 8 0 "[ . 1 . 2 . 3]" 1
149 1 25 GLY HA2 1 26 GLU H 3.400 . 4.800 3.533 3.499 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 25 GLY HA2 1 28 LEU H 3.500 . 5.000 3.358 3.226 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 25 GLY HA2 1 58 PHE QD 3.400 . 4.800 3.737 3.380 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 25 GLY HA3 1 26 GLU H 2.900 . 4.000 2.834 2.782 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 25 GLY HA3 1 27 GLN H 3.700 . 5.400 4.373 4.286 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 25 GLY HA3 1 58 PHE QD 3.400 . 4.800 4.519 4.317 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 26 GLU H 1 26 GLU HA 2.200 . 2.800 2.800 2.788 2.813 0.013 9 0 "[ . 1 . 2 . 3]" 1
156 1 26 GLU H 1 26 GLU HB2 2.800 . 3.800 2.194 2.059 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 26 GLU H 1 26 GLU HB3 2.400 . 3.100 3.131 2.525 3.496 0.396 22 0 "[ . 1 . 2 . 3]" 1
158 1 26 GLU H 1 26 GLU QG 2.900 . 4.000 3.500 2.957 4.021 0.021 19 0 "[ . 1 . 2 . 3]" 1
159 1 26 GLU H 1 27 GLN H 2.800 . 3.800 2.619 2.564 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 26 GLU HA 1 28 LEU HB2 2.100 . 5.500 5.149 4.791 5.400 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 26 GLU HA 1 29 TYR H 3.500 . 5.000 3.315 3.194 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 26 GLU HA 1 29 TYR HB3 2.500 . 3.300 3.258 2.989 3.757 0.457 25 0 "[ . 1 . 2 . 3]" 1
163 1 26 GLU HA 1 29 TYR QD 3.400 . 4.800 4.570 4.255 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 26 GLU HB3 1 27 GLN H 2.600 . 3.400 3.172 2.880 3.555 0.155 22 0 "[ . 1 . 2 . 3]" 1
165 1 27 GLN H 1 27 GLN HA 2.600 . 3.400 2.803 2.774 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 27 GLN H 1 27 GLN HB2 2.200 . 2.800 2.314 2.080 3.273 0.473 16 0 "[ . 1 . 2 . 3]" 1
167 1 27 GLN H 1 27 GLN HG2 2.800 . 3.800 3.294 1.957 4.202 0.402 26 0 "[ . 1 . 2 . 3]" 1
168 1 27 GLN H 1 27 GLN HG3 2.600 . 3.400 3.261 2.486 3.842 0.442 1 0 "[ . 1 . 2 . 3]" 1
169 1 27 GLN H 1 28 LEU H 2.700 . 3.600 2.614 2.478 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 27 GLN H 1 29 TYR H 4.100 . 5.500 4.296 4.075 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 27 GLN HA 1 28 LEU H 2.900 . 4.000 3.486 3.459 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 27 GLN HA 1 30 LYS H 3.100 . 4.300 3.338 2.678 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 27 GLN HA 1 31 LYS HB2 2.700 . 5.500 4.432 4.145 4.811 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 27 GLN HB2 1 28 LEU H 2.600 . 3.400 3.060 2.688 4.392 0.992 16 1 "[ . 1 .+ 2 . 3]" 1
175 1 27 GLN HB2 1 61 LEU QD 2.400 . 3.100 1.974 1.730 3.697 0.597 16 1 "[ . 1 .+ 2 . 3]" 1
176 1 28 LEU H 1 28 LEU HA 2.900 . 4.000 2.802 2.785 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 28 LEU H 1 28 LEU HB2 2.700 . 3.600 2.215 2.074 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 28 LEU H 1 28 LEU HB3 2.600 . 3.400 2.866 2.712 3.131 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 28 LEU H 1 61 LEU HB3 3.900 . 5.500 3.533 3.199 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 28 LEU H 1 61 LEU QD 3.000 . 4.100 2.636 2.227 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 28 LEU HA 1 28 LEU MD1 2.200 . 2.800 2.133 1.818 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 28 LEU HA 1 29 TYR H 3.800 . 5.500 3.526 3.473 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 28 LEU HA 1 31 LYS H 3.200 . 4.500 3.910 3.703 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 28 LEU HA 1 31 LYS HB2 2.800 . 3.800 3.408 3.072 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 28 LEU HA 1 31 LYS QG 3.900 . 5.500 4.650 4.263 5.104 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 28 LEU HA 1 67 PHE HZ 3.600 . 5.200 3.191 2.596 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 28 LEU HB2 1 29 TYR H 3.100 . 4.300 3.526 3.219 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 28 LEU HB3 1 29 TYR H 3.300 . 4.700 2.537 2.222 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 28 LEU QD 1 29 TYR H 3.600 . 5.200 4.002 3.823 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 28 LEU QD 1 46 THR HA 2.600 . 3.400 3.192 2.829 3.378 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 28 LEU QD 1 50 LEU H 3.100 . 4.300 3.782 3.476 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 28 LEU QD 1 58 PHE HA 4.000 . 5.000 4.933 4.653 5.088 0.088 1 0 "[ . 1 . 2 . 3]" 1
193 1 28 LEU QD 1 67 PHE QD 3.200 . 4.000 2.997 2.677 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 28 LEU MD1 1 67 PHE HZ 2.600 . 3.400 3.416 3.193 3.517 0.117 27 0 "[ . 1 . 2 . 3]" 1
195 1 28 LEU MD2 1 52 LEU H 3.000 . 4.100 4.164 4.091 4.224 0.124 1 0 "[ . 1 . 2 . 3]" 1
196 1 29 TYR H 1 29 TYR HA 2.500 . 3.300 2.849 2.809 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 29 TYR H 1 29 TYR HB2 2.600 . 3.400 2.658 2.261 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 29 TYR H 1 29 TYR HB3 2.600 . 3.400 2.425 2.351 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 29 TYR H 1 29 TYR QD 5.100 . 5.500 4.190 4.118 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 29 TYR H 1 30 LYS H 2.900 . 4.000 2.693 2.449 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 29 TYR H 1 46 THR MG 2.600 . 3.400 3.584 3.330 3.835 0.435 14 0 "[ . 1 . 2 . 3]" 1
202 1 29 TYR HA 1 29 TYR HB2 2.900 . 4.000 2.418 2.381 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 29 TYR HA 1 29 TYR QD 2.500 . 3.300 2.406 2.277 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 29 TYR HA 1 29 TYR QE 3.400 . 4.800 4.552 4.459 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 29 TYR HA 1 30 LYS H 3.600 . 5.200 3.577 3.551 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 29 TYR HA 1 32 VAL H 3.400 . 4.800 3.588 3.416 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 29 TYR HA 1 33 SER H 4.400 . 5.500 4.196 3.904 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 29 TYR HB2 1 29 TYR QD 2.300 . 3.000 2.640 2.277 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 29 TYR HB2 1 29 TYR QE 3.300 . 4.600 4.481 4.384 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 29 TYR HB2 1 30 LYS H 3.100 . 4.300 3.874 3.548 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 29 TYR HB2 1 46 THR MG 2.700 . 3.600 2.552 2.075 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 29 TYR HB3 1 29 TYR QD 2.400 . 3.100 2.288 2.261 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 29 TYR HB3 1 30 LYS H 2.800 . 3.800 2.500 2.374 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 29 TYR HB3 1 46 THR MG 3.200 . 4.000 4.021 3.640 4.404 0.404 22 0 "[ . 1 . 2 . 3]" 1
215 1 29 TYR QD 1 30 LYS H 4.300 . 5.500 3.583 3.288 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 29 TYR QD 1 30 LYS HA 3.000 . 4.100 3.977 3.574 4.134 0.034 12 0 "[ . 1 . 2 . 3]" 1
217 1 29 TYR QD 1 30 LYS QG 3.800 . 5.500 4.665 2.906 5.430 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 29 TYR QD 1 42 ALA MB 3.200 . 4.000 2.263 1.974 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 29 TYR QD 1 43 GLY HA2 3.100 . 4.300 3.122 2.637 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 29 TYR QD 1 43 GLY HA3 4.000 . 5.000 4.455 3.976 5.221 0.221 25 0 "[ . 1 . 2 . 3]" 1
221 1 29 TYR QD 1 46 THR HB 3.000 . 4.100 3.339 2.950 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 29 TYR QD 1 46 THR MG 2.400 . 3.100 3.164 2.436 3.582 0.482 11 0 "[ . 1 . 2 . 3]" 1
223 1 29 TYR QE 1 41 ALA MB 4.000 . 5.000 5.031 4.920 5.090 0.090 16 0 "[ . 1 . 2 . 3]" 1
224 1 29 TYR QE 1 42 ALA H 4.000 . 5.000 3.630 3.521 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 29 TYR QE 1 42 ALA HA 4.300 . 5.500 4.056 3.838 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 29 TYR QE 1 42 ALA MB 2.600 . 3.000 1.962 1.787 2.354 0.013 19 0 "[ . 1 . 2 . 3]" 1
227 1 29 TYR QE 1 43 GLY H 3.300 . 4.700 2.379 2.118 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 29 TYR QE 1 43 GLY HA2 2.700 . 3.600 3.042 2.512 3.651 0.051 19 0 "[ . 1 . 2 . 3]" 1
229 1 29 TYR QE 1 43 GLY HA3 3.000 . 4.100 3.379 3.002 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 30 LYS H 1 30 LYS HA 2.600 . 3.400 2.803 2.775 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 30 LYS H 1 30 LYS QB 2.300 . 3.000 2.513 2.370 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 30 LYS H 1 30 LYS QD 3.600 . 5.200 3.605 2.814 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 30 LYS H 1 30 LYS HG2 2.700 . 3.600 2.469 1.933 3.644 0.044 5 0 "[ . 1 . 2 . 3]" 1
234 1 30 LYS H 1 31 LYS H 2.900 . 4.000 2.693 2.627 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 30 LYS HA 1 33 SER H 3.100 . 4.300 3.265 3.006 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 30 LYS HA 1 33 SER HB2 4.000 . 5.000 3.596 2.684 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 30 LYS HA 1 33 SER HB3 4.000 . 5.000 3.622 2.764 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 30 LYS HA 1 34 ALA MB 4.000 . 5.000 4.853 4.556 5.029 0.029 27 0 "[ . 1 . 2 . 3]" 1
239 1 30 LYS QB 1 31 LYS H 2.700 . 3.600 3.303 2.438 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 31 LYS H 1 31 LYS HA 2.500 . 3.300 2.806 2.798 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 31 LYS H 1 31 LYS HB2 2.500 . 3.300 2.262 2.136 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 31 LYS H 1 31 LYS HB3 2.500 . 3.300 2.823 2.596 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 31 LYS H 1 31 LYS QG 2.900 . 4.000 3.992 3.915 4.049 0.049 5 0 "[ . 1 . 2 . 3]" 1
244 1 31 LYS H 1 32 VAL H 2.700 . 3.600 2.654 2.594 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 31 LYS H 1 33 SER H 4.000 . 5.500 4.170 3.973 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 31 LYS HA 1 31 LYS HB3 2.200 . 2.800 2.995 2.965 3.024 0.224 1 0 "[ . 1 . 2 . 3]" 1
247 1 31 LYS HA 1 31 LYS HG3 3.100 . 4.300 2.343 2.143 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 31 LYS HA 1 32 VAL H 3.200 . 4.500 3.503 3.469 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 31 LYS HA 1 34 ALA H 3.200 . 4.500 3.891 3.724 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 31 LYS HA 1 34 ALA MB 2.400 . 3.100 2.718 2.407 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 31 LYS HB2 1 32 VAL H 2.800 . 3.800 3.718 3.503 3.898 0.098 1 0 "[ . 1 . 2 . 3]" 1
252 1 31 LYS HB3 1 32 VAL H 3.200 . 4.500 2.769 2.596 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 31 LYS HB3 1 34 ALA H 3.900 . 5.500 5.464 5.349 5.627 0.127 2 0 "[ . 1 . 2 . 3]" 1
254 1 31 LYS QG 1 32 VAL HA 4.100 . 5.500 4.358 3.873 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 31 LYS QG 1 34 ALA H 3.600 . 5.200 5.099 4.899 5.210 0.010 16 0 "[ . 1 . 2 . 3]" 1
256 1 31 LYS HG2 1 67 PHE HZ 3.300 . 4.600 3.826 3.369 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 32 VAL H 1 32 VAL HA 2.800 . 3.800 2.894 2.885 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 32 VAL H 1 32 VAL HB 2.700 . 3.600 3.177 2.581 3.650 0.050 25 0 "[ . 1 . 2 . 3]" 1
259 1 32 VAL H 1 32 VAL QG 2.400 . 3.100 2.011 1.852 2.318 0.048 25 0 "[ . 1 . 2 . 3]" 1
260 1 32 VAL H 1 33 SER H 2.700 . 3.600 2.449 2.380 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 32 VAL HA 1 32 VAL QG 2.300 . 3.000 2.188 2.035 2.328 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 32 VAL HA 1 33 SER H 4.400 . 5.500 3.556 3.543 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 32 VAL HA 1 34 ALA H 3.800 . 5.500 3.509 3.396 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 32 VAL HA 1 35 LYS H 4.000 . 5.000 5.028 4.901 5.087 0.087 2 0 "[ . 1 . 2 . 3]" 1
265 1 32 VAL HA 1 45 ILE MD 3.100 . 4.300 3.524 2.992 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 32 VAL HA 1 67 PHE QD 4.000 . 5.000 5.051 4.977 5.110 0.110 30 0 "[ . 1 . 2 . 3]" 1
267 1 32 VAL HA 1 67 PHE HZ 4.000 . 5.000 4.364 4.085 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 32 VAL HA 1 71 TYR QD 3.700 . 5.400 4.059 3.520 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 32 VAL HA 1 71 TYR QE 2.300 . 5.500 3.592 2.938 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 32 VAL HA 1 78 TYR QE 3.200 . 4.000 4.058 4.006 4.154 0.154 30 0 "[ . 1 . 2 . 3]" 1
271 1 32 VAL HB 1 33 SER H 2.900 . 4.000 3.130 2.294 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 32 VAL HB 1 67 PHE HZ 3.600 . 5.200 4.730 3.101 5.121 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 32 VAL QG 1 33 SER H 3.200 . 4.500 2.437 1.840 3.209 0.060 28 0 "[ . 1 . 2 . 3]" 1
274 1 32 VAL QG 1 33 SER HA 3.500 . 5.000 3.455 3.102 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 32 VAL QG 1 42 ALA H 3.600 . 5.200 3.897 3.464 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 32 VAL QG 1 42 ALA HA . . 2.800 2.110 1.783 2.609 0.017 5 0 "[ . 1 . 2 . 3]" 1
277 1 32 VAL QG 1 45 ILE HB 4.000 . 5.000 2.609 1.792 3.686 0.008 27 0 "[ . 1 . 2 . 3]" 1
278 1 32 VAL QG 1 45 ILE MD 4.000 . 5.000 1.894 1.747 2.393 0.053 24 0 "[ . 1 . 2 . 3]" 1
279 1 32 VAL QG 1 45 ILE MG 2.500 . 4.400 2.954 1.931 4.046 0.069 25 0 "[ . 1 . 2 . 3]" 1
280 1 32 VAL QG 1 46 THR H 3.200 . 4.500 3.102 2.930 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 32 VAL QG 1 49 ILE MD 2.500 . 3.300 2.462 2.209 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 32 VAL QG 1 67 PHE QD 2.700 . 5.500 4.072 3.783 5.097 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 32 VAL QG 1 67 PHE HZ 2.400 . 5.500 2.045 1.750 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 32 VAL QG 1 71 TYR QD 2.700 . 3.600 2.368 1.965 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 32 VAL QG 1 71 TYR QE 3.200 . 4.000 2.756 1.993 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 32 VAL QG 1 78 TYR QE 2.300 . 5.500 3.305 2.311 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 33 SER H 1 33 SER HA 2.600 . 3.400 2.861 2.855 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 33 SER H 1 33 SER HB2 2.900 . 4.000 2.845 2.086 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 33 SER H 1 33 SER HB3 2.700 . 3.600 2.941 2.309 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 33 SER H 1 34 ALA H 2.900 . 4.000 2.715 2.647 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 33 SER H 1 42 ALA MB 3.200 . 4.500 2.535 2.176 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 33 SER HA 1 33 SER HB2 2.700 . 3.600 2.663 2.304 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 33 SER HA 1 33 SER HB3 2.800 . 3.800 2.654 2.239 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 33 SER HA 1 35 LYS H 3.200 . 4.500 3.101 3.008 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 33 SER HA 1 36 THR H 4.000 . 5.000 3.059 2.787 3.330 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 33 SER HA 1 42 ALA MB 2.500 . 3.300 2.455 1.994 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 33 SER HB2 1 42 ALA MB 3.200 . 4.500 2.736 1.921 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 33 SER HB3 1 34 ALA H 3.700 . 5.400 4.194 3.757 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 33 SER HB3 1 42 ALA MB 4.000 . 5.000 2.750 1.887 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 34 ALA H 1 34 ALA HA 2.600 . 3.400 2.793 2.776 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 34 ALA H 1 34 ALA MB 2.200 . 2.800 2.133 2.006 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 34 ALA H 1 35 LYS H 2.700 . 3.600 2.722 2.668 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 34 ALA HA 1 34 ALA MB 2.000 . 2.500 2.108 2.081 2.130 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 34 ALA MB 1 35 LYS H 2.800 . 3.800 3.153 2.995 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 35 LYS H 1 35 LYS HA 2.800 . 3.800 2.936 2.931 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 35 LYS H 1 35 LYS QB 2.700 . 3.600 2.426 2.224 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 35 LYS H 1 35 LYS QD 3.100 . 4.300 3.917 2.546 4.311 0.011 26 0 "[ . 1 . 2 . 3]" 1
308 1 35 LYS H 1 35 LYS QG 3.000 . 4.100 3.181 2.063 4.135 0.035 23 0 "[ . 1 . 2 . 3]" 1
309 1 35 LYS HA 1 35 LYS QG 2.500 . 3.300 2.490 2.025 3.335 0.035 2 0 "[ . 1 . 2 . 3]" 1
310 1 36 THR HA 1 38 ASN H 3.500 . 5.000 4.190 4.064 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 36 THR MG 1 38 ASN H 3.000 . 4.100 2.349 2.011 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 36 THR MG 1 42 ALA H 3.200 . 4.500 4.392 4.198 4.530 0.030 29 0 "[ . 1 . 2 . 3]" 1
313 1 37 SER H 1 37 SER HA 2.500 . 3.300 2.912 2.892 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 37 SER H 1 37 SER HB2 3.400 . 4.800 2.714 2.149 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 37 SER H 1 37 SER HB3 3.600 . 5.200 3.162 2.423 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 37 SER H 1 38 ASN H 2.700 . 3.600 3.077 2.925 3.180 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 37 SER HA 1 37 SER HB2 2.900 . 4.000 2.767 2.389 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 37 SER HA 1 37 SER HB3 2.900 . 4.000 2.656 2.300 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 37 SER HA 1 38 ASN H 3.100 . 4.300 2.796 2.732 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 38 ASN H 1 38 ASN HA 2.300 . 3.000 2.883 2.877 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 38 ASN H 1 38 ASN HB2 2.500 . 5.500 2.210 2.113 2.374 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 38 ASN H 1 38 ASN HB3 2.500 . 3.300 3.312 2.776 3.603 0.303 7 0 "[ . 1 . 2 . 3]" 1
323 1 38 ASN H 1 41 ALA MB 3.300 . 4.700 3.615 3.216 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 38 ASN HA 1 41 ALA MB 3.400 . 4.800 3.963 3.802 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 38 ASN QB 1 41 ALA H 4.000 . 5.000 2.169 1.959 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 38 ASN HB2 1 38 ASN HD21 2.900 . 4.000 2.597 2.125 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 38 ASN HB2 1 38 ASN HD22 3.600 . 5.200 3.645 3.434 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 38 ASN HB2 1 39 GLU H 3.300 . 4.700 4.610 4.484 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 38 ASN HB3 1 38 ASN HD21 3.200 . 4.500 2.832 2.121 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 38 ASN HB3 1 39 GLU H 4.000 . 5.500 3.996 3.770 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 38 ASN HB3 1 41 ALA H 3.700 . 5.400 2.187 1.967 2.762 0.033 28 0 "[ . 1 . 2 . 3]" 1
332 1 38 ASN HD21 1 41 ALA MB 2.900 . 4.000 3.093 2.082 4.307 0.307 9 0 "[ . 1 . 2 . 3]" 1
333 1 38 ASN HD21 1 82 LYS QG 3.900 . 5.500 4.747 3.049 6.218 0.718 9 1 "[ . +1 . 2 . 3]" 1
334 1 38 ASN HD22 1 41 ALA MB 3.200 . 4.000 3.962 3.108 4.706 0.706 9 2 "[ . +1 - 2 . 3]" 1
335 1 39 GLU H 1 39 GLU HA 2.600 . 3.400 2.795 2.762 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 39 GLU H 1 39 GLU QB 2.600 . 3.400 2.254 2.031 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 39 GLU H 1 39 GLU HG2 3.400 . 4.800 3.828 2.196 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 39 GLU H 1 40 GLU H 2.800 . 3.800 2.690 2.597 2.787 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 39 GLU HA 1 42 ALA H 4.000 . 5.000 4.307 4.140 4.489 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 39 GLU HA 1 42 ALA MB 4.000 . 5.000 3.743 3.444 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 39 GLU HA 1 43 GLY H 2.800 . 3.800 3.670 3.229 3.833 0.033 15 0 "[ . 1 . 2 . 3]" 1
342 1 39 GLU QB 1 40 GLU H 2.500 . 3.300 2.914 2.784 3.372 0.072 8 0 "[ . 1 . 2 . 3]" 1
343 1 39 GLU QG 1 40 GLU H 3.500 . 5.000 4.295 2.135 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 40 GLU H 1 40 GLU HA 2.400 . 3.100 2.893 2.883 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 40 GLU H 1 40 GLU HB2 2.100 . 2.700 2.322 2.140 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 40 GLU H 1 40 GLU QG 2.800 . 3.800 2.980 2.116 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 40 GLU H 1 41 ALA H 2.300 . 3.000 2.330 2.264 2.380 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 40 GLU HA 1 43 GLY H 3.100 . 4.300 4.034 3.881 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 40 GLU HB2 1 41 ALA H 2.400 . 3.100 3.174 2.959 3.669 0.569 8 1 "[ . + 1 . 2 . 3]" 1
350 1 40 GLU QG 1 41 ALA H 3.600 . 5.200 4.384 3.992 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 41 ALA H 1 41 ALA HA 2.700 . 3.600 2.870 2.839 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 41 ALA H 1 41 ALA MB 2.200 . 2.800 2.195 2.051 2.267 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 41 ALA H 1 42 ALA H 2.500 . 3.300 2.831 2.738 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 41 ALA HA 1 41 ALA MB 2.200 . 2.800 2.107 2.065 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 41 ALA HA 1 42 ALA H 3.200 . 4.500 3.538 3.514 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 41 ALA HA 1 44 LYS H 2.900 . 4.000 3.718 3.575 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 41 ALA HA 1 45 ILE H 4.000 . 5.000 4.554 4.170 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 41 ALA HA 1 45 ILE MD 4.000 . 5.000 4.955 4.679 5.061 0.061 6 0 "[ . 1 . 2 . 3]" 1
359 1 41 ALA HA 1 45 ILE MG 3.400 . 5.500 5.804 4.090 7.252 1.752 25 16 "[* * ** ** *-* ***+** *3]" 1
360 1 41 ALA HA 1 78 TYR QD 3.300 . 4.700 4.014 3.539 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 41 ALA HA 1 78 TYR QE 2.700 . 3.600 3.628 3.364 3.699 0.099 27 0 "[ . 1 . 2 . 3]" 1
362 1 41 ALA MB 1 42 ALA H 2.600 . 5.500 1.941 1.843 2.105 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 41 ALA MB 1 44 LYS H 3.700 . 5.400 4.460 4.365 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 41 ALA MB 1 45 ILE H 4.100 . 5.500 4.946 4.748 5.109 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 41 ALA MB 1 45 ILE MD 3.200 . 4.000 3.960 3.802 4.049 0.049 7 0 "[ . 1 . 2 . 3]" 1
366 1 41 ALA MB 1 78 TYR QD 2.900 . 4.000 3.213 2.536 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 41 ALA MB 1 78 TYR QE 2.100 . 2.700 1.813 1.546 2.164 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 42 ALA H 1 42 ALA HA 2.500 . 3.300 2.783 2.757 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 42 ALA H 1 42 ALA MB 2.000 . 2.500 2.152 2.074 2.209 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 42 ALA H 1 44 LYS H 2.900 . 4.000 4.059 4.018 4.100 0.100 14 0 "[ . 1 . 2 . 3]" 1
371 1 42 ALA HA 1 42 ALA MB 2.200 . 2.800 2.110 2.098 2.122 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 42 ALA HA 1 43 GLY H 3.500 . 5.000 3.518 3.489 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 42 ALA HA 1 45 ILE H 2.900 . 4.000 3.567 3.226 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 42 ALA HA 1 45 ILE MD 3.000 . 4.100 2.908 2.338 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 42 ALA HA 1 45 ILE MG 3.300 . 4.700 4.300 3.852 4.793 0.093 22 0 "[ . 1 . 2 . 3]" 1
376 1 42 ALA HA 1 46 THR HB 2.600 . 5.500 5.106 4.671 5.504 0.004 22 0 "[ . 1 . 2 . 3]" 1
377 1 42 ALA MB 1 43 GLY H 2.400 . 3.100 2.766 2.655 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 42 ALA MB 1 78 TYR QE 3.100 . 4.300 4.250 3.885 4.388 0.088 29 0 "[ . 1 . 2 . 3]" 1
379 1 43 GLY H 1 43 GLY HA2 2.400 . 3.100 2.834 2.825 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 43 GLY H 1 43 GLY HA3 2.300 . 3.000 2.298 2.293 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 43 GLY H 1 44 LYS H 2.600 . 3.400 2.555 2.499 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 43 GLY HA2 1 46 THR MG 2.800 . 3.800 3.595 3.393 3.857 0.057 4 0 "[ . 1 . 2 . 3]" 1
383 1 43 GLY HA3 1 46 THR MG 3.600 . 5.200 5.027 4.805 5.336 0.136 4 0 "[ . 1 . 2 . 3]" 1
384 1 44 LYS H 1 44 LYS HA 2.600 . 3.400 2.859 2.849 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 44 LYS H 1 44 LYS QB 2.400 . 2.800 2.124 2.057 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 44 LYS H 1 44 LYS QG 2.500 . 5.500 3.691 2.619 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 44 LYS H 1 45 ILE H 2.500 . 3.300 2.713 2.578 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 44 LYS QB 1 45 ILE H 2.700 . 3.100 2.239 1.972 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 44 LYS QB 1 78 TYR QD 3.000 . 5.500 4.959 4.506 5.192 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 44 LYS QB 1 78 TYR QE 3.000 . 5.500 5.525 5.349 5.600 0.100 28 0 "[ . 1 . 2 . 3]" 1
391 1 44 LYS QG 1 45 ILE H 3.800 . 5.500 4.070 3.624 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 44 LYS HG3 1 81 PHE QD 3.000 . 4.100 3.492 2.463 4.390 0.290 14 0 "[ . 1 . 2 . 3]" 1
393 1 45 ILE H 1 45 ILE HA 2.800 . 3.800 2.806 2.763 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 45 ILE H 1 45 ILE MD 3.000 . 4.100 3.496 3.279 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 45 ILE H 1 45 ILE HG12 2.600 . 3.400 2.821 1.888 3.579 0.179 27 0 "[ . 1 . 2 . 3]" 1
396 1 45 ILE H 1 45 ILE MG 2.700 . 3.600 3.067 2.118 3.770 0.170 22 0 "[ . 1 . 2 . 3]" 1
397 1 45 ILE H 1 46 THR H 2.900 . 4.000 2.666 2.562 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 45 ILE H 1 78 TYR HA 3.700 . 5.400 4.783 4.370 5.145 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 45 ILE HA 1 45 ILE HB 2.400 . 3.100 2.753 2.390 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 45 ILE HA 1 45 ILE MD 2.300 . 5.500 3.983 3.822 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 45 ILE HA 1 45 ILE MG 2.300 . 3.000 2.311 2.139 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 45 ILE HA 1 48 MET ME 3.200 . 4.000 2.715 1.811 4.048 0.048 29 0 "[ . 1 . 2 . 3]" 1
403 1 45 ILE HA 1 74 ALA MB 2.400 . 3.100 2.194 1.789 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 45 ILE HB 1 45 ILE MD 2.400 . 3.100 2.398 2.186 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 45 ILE HB 1 46 THR H 2.800 . 3.800 3.199 2.562 3.896 0.096 4 0 "[ . 1 . 2 . 3]" 1
406 1 45 ILE HB 1 71 TYR QD 3.100 . 4.300 3.631 3.218 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 45 ILE HB 1 71 TYR QE 2.400 . 5.500 4.431 4.169 4.704 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 45 ILE HB 1 78 TYR QD 2.500 . 5.500 4.673 4.223 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 45 ILE MD 1 45 ILE MG 2.300 . 3.000 1.969 1.689 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 45 ILE MD 1 46 THR H 3.200 . 4.500 4.248 3.854 4.554 0.054 23 0 "[ . 1 . 2 . 3]" 1
411 1 45 ILE MD 1 48 MET ME 4.000 . 5.000 4.821 4.367 5.118 0.118 29 0 "[ . 1 . 2 . 3]" 1
412 1 45 ILE MD 1 71 TYR QD 2.500 . 3.300 2.212 1.916 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 45 ILE MD 1 71 TYR QE 2.400 . 3.100 1.924 1.778 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 45 ILE MD 1 74 ALA H 3.600 . 5.500 5.411 5.064 5.559 0.059 17 0 "[ . 1 . 2 . 3]" 1
415 1 45 ILE MD 1 74 ALA HA 4.000 . 5.500 5.002 4.748 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 45 ILE MD 1 74 ALA MB 4.000 . 5.000 3.055 2.930 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 45 ILE MD 1 75 SER H 3.700 . 5.400 4.152 3.791 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 45 ILE MD 1 75 SER HA 3.200 . 4.000 2.653 2.099 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 45 ILE MD 1 75 SER QB 3.200 . 4.000 3.842 3.286 4.094 0.094 28 0 "[ . 1 . 2 . 3]" 1
420 1 45 ILE MD 1 78 TYR HA 4.000 . 5.000 3.784 3.155 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 45 ILE MD 1 78 TYR QD 3.200 . 4.000 1.850 1.782 2.060 0.018 25 0 "[ . 1 . 2 . 3]" 1
422 1 45 ILE HG13 1 46 THR H 3.900 . 5.500 3.394 2.294 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 45 ILE MG 1 46 THR H 3.300 . 4.700 3.742 3.393 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 45 ILE MG 1 48 MET ME 4.000 . 5.000 3.302 2.017 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 45 ILE MG 1 71 TYR QD 3.200 . 4.000 2.899 1.783 4.445 0.445 4 0 "[ . 1 . 2 . 3]" 1
426 1 45 ILE MG 1 71 TYR QE 3.200 . 4.000 3.610 3.270 4.089 0.089 9 0 "[ . 1 . 2 . 3]" 1
427 1 45 ILE MG 1 74 ALA H 4.000 . 5.000 4.332 3.630 5.255 0.255 4 0 "[ . 1 . 2 . 3]" 1
428 1 45 ILE MG 1 74 ALA HA 2.800 . 3.800 3.661 2.776 4.217 0.417 24 0 "[ . 1 . 2 . 3]" 1
429 1 45 ILE MG 1 75 SER H 4.000 . 5.000 3.815 3.494 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 45 ILE MG 1 75 SER HA 2.300 . 3.000 3.425 2.596 4.027 1.027 15 16 "[* * ** *+ *** -***** *3]" 1
431 1 45 ILE MG 1 75 SER HB2 3.400 . 4.800 4.588 4.289 5.371 0.571 24 1 "[ . 1 . 2 +. 3]" 1
432 1 45 ILE MG 1 75 SER HB3 3.000 . 5.500 5.315 4.311 5.924 0.424 26 0 "[ . 1 . 2 . 3]" 1
433 1 45 ILE MG 1 78 TYR H 4.200 . 5.500 4.280 2.767 5.675 0.175 14 0 "[ . 1 . 2 . 3]" 1
434 1 45 ILE MG 1 78 TYR QB 2.700 . 3.600 3.298 1.946 4.691 1.091 20 12 "[* . ** ** * + -* * * *3]" 1
435 1 45 ILE MG 1 78 TYR QD 2.600 . 3.400 3.616 2.568 4.448 1.048 11 16 "[* * *+ ** *-* ****** *3]" 1
436 1 45 ILE MG 1 82 LYS QG 2.600 . 5.500 6.488 4.470 7.628 2.128 25 16 "[* * ** ** *** *-*+** *3]" 1
437 1 46 THR H 1 46 THR HA 2.600 . 3.400 2.796 2.769 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 46 THR H 1 46 THR HB 2.400 . 3.100 2.491 2.402 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 46 THR H 1 46 THR MG 2.800 . 3.800 3.761 3.742 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 46 THR H 1 47 GLY H 3.000 . 4.100 2.688 2.587 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 46 THR HA 1 46 THR MG 2.100 . 2.700 2.490 2.398 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 46 THR HA 1 49 ILE MD 2.100 . 2.700 2.456 1.888 2.759 0.059 25 0 "[ . 1 . 2 . 3]" 1
443 1 46 THR HB 1 46 THR MG 2.000 . 2.500 2.088 2.074 2.122 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 46 THR HB 1 47 GLY H 2.600 . 3.400 2.754 2.564 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 46 THR MG 1 50 LEU H 4.100 . 5.500 4.324 4.108 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 46 THR MG 1 50 LEU HA 3.000 . 4.100 4.082 3.817 4.170 0.070 28 0 "[ . 1 . 2 . 3]" 1
447 1 47 GLY H 1 47 GLY HA2 2.500 . 3.300 2.812 2.795 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 47 GLY H 1 47 GLY HA3 2.400 . 3.100 2.292 2.283 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 47 GLY QA 1 50 LEU H 4.000 . 5.000 3.426 3.290 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 47 GLY HA2 1 48 MET H 2.600 . 3.400 3.509 3.464 3.547 0.147 29 0 "[ . 1 . 2 . 3]" 1
451 1 47 GLY HA2 1 50 LEU MD2 2.700 . 3.600 2.911 2.016 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 47 GLY HA3 1 48 MET H 2.900 . 4.000 2.918 2.838 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 47 GLY HA3 1 50 LEU H 3.600 . 5.200 4.531 4.395 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 47 GLY HA3 1 50 LEU MD2 3.500 . 5.000 4.311 3.268 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 48 MET H 1 48 MET HA 2.600 . 3.400 2.858 2.827 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 48 MET H 1 48 MET HB2 2.700 . 5.500 2.440 2.152 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 48 MET H 1 48 MET HB3 2.500 . 3.300 3.526 2.478 3.628 0.328 11 0 "[ . 1 . 2 . 3]" 1
458 1 48 MET H 1 48 MET HG2 2.800 . 3.800 3.475 2.058 4.315 0.515 18 1 "[ . 1 . + 2 . 3]" 1
459 1 48 MET H 1 48 MET HG3 2.500 . 3.300 2.881 2.129 3.508 0.208 4 0 "[ . 1 . 2 . 3]" 1
460 1 48 MET H 1 74 ALA MB 4.300 . 5.500 3.937 3.674 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 48 MET HA 1 49 ILE H 4.200 . 5.500 3.563 3.524 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 48 MET HA 1 50 LEU H 2.700 . 3.600 3.578 3.507 3.641 0.041 10 0 "[ . 1 . 2 . 3]" 1
463 1 48 MET HA 1 51 ASP H 4.000 . 5.000 4.897 4.753 5.018 0.018 11 0 "[ . 1 . 2 . 3]" 1
464 1 48 MET HB3 1 49 ILE H 2.700 . 3.600 3.402 2.952 3.778 0.178 29 0 "[ . 1 . 2 . 3]" 1
465 1 49 ILE H 1 49 ILE HA 2.500 . 3.300 2.861 2.826 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 49 ILE H 1 49 ILE HB 2.500 . 3.300 2.670 2.593 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 49 ILE H 1 49 ILE MD 2.900 . 4.000 2.845 2.123 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 49 ILE H 1 49 ILE MG 2.600 . 5.500 3.776 3.760 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 49 ILE H 1 50 LEU H 2.700 . 3.600 2.596 2.493 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 49 ILE H 1 51 ASP H 3.300 . 4.700 4.551 4.457 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 49 ILE H 1 74 ALA MB 4.100 . 5.500 3.819 3.360 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 49 ILE HA 1 49 ILE MG 2.100 . 2.700 2.258 2.154 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 49 ILE HA 1 50 LEU H 3.000 . 4.100 3.254 3.173 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 49 ILE HA 1 51 ASP H 4.000 . 5.500 3.046 2.978 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 49 ILE HA 1 52 LEU H 3.400 . 4.800 4.250 4.008 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 49 ILE HB 1 49 ILE MD 2.200 . 2.800 2.173 1.989 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 49 ILE HB 1 50 LEU H 2.900 . 4.000 3.571 3.420 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 49 ILE MD 1 67 PHE QD 4.000 . 5.000 4.146 3.541 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 49 ILE MD 1 67 PHE HZ 2.700 . 3.600 2.903 2.364 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 49 ILE MD 1 70 HIS QB 4.000 . 5.000 3.567 3.117 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 49 ILE MD 1 70 HIS HB3 2.500 . 5.500 3.750 3.207 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 49 ILE MD 1 71 TYR QD 3.100 . 4.300 2.953 2.525 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 49 ILE MD 1 71 TYR QE 4.000 . 5.000 4.829 4.455 5.100 0.100 22 0 "[ . 1 . 2 . 3]" 1
484 1 49 ILE MD 1 74 ALA H 4.500 . 5.500 4.724 4.104 5.381 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 49 ILE MD 1 74 ALA MB 2.500 . 3.300 2.802 2.123 3.345 0.045 22 0 "[ . 1 . 2 . 3]" 1
486 1 49 ILE MG 1 51 ASP H 3.500 . 5.000 3.909 3.725 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 49 ILE MG 1 60 LEU QD 2.600 . 5.500 1.903 1.650 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 49 ILE MG 1 67 PHE QD 3.200 . 4.500 3.867 3.466 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 49 ILE MG 1 67 PHE HZ 2.900 . 4.000 4.236 3.994 4.461 0.461 10 0 "[ . 1 . 2 . 3]" 1
490 1 49 ILE MG 1 70 HIS HA 3.100 . 5.500 4.791 4.428 5.232 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 49 ILE MG 1 70 HIS QB 4.000 . 5.000 2.414 2.043 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 49 ILE MG 1 70 HIS HB3 3.000 . 4.100 2.506 2.068 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 49 ILE MG 1 72 LYS H 3.300 . 5.500 6.254 5.807 6.674 1.174 25 23 "[* *** -*** ******* ***+** **]" 1
494 1 50 LEU H 1 50 LEU HA 2.500 . 3.300 2.860 2.828 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 50 LEU H 1 50 LEU HB2 2.700 . 3.600 2.125 2.037 2.202 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 50 LEU H 1 50 LEU HB3 2.600 . 3.400 3.060 2.863 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 50 LEU H 1 50 LEU MD1 3.300 . 4.700 4.121 3.046 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 50 LEU H 1 50 LEU MD2 2.900 . 4.000 3.393 3.079 4.039 0.039 30 0 "[ . 1 . 2 . 3]" 1
499 1 50 LEU H 1 51 ASP H 2.800 . 3.800 2.748 2.657 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 50 LEU H 1 52 LEU H 4.600 . 5.500 4.655 4.571 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 50 LEU HA 1 50 LEU MD1 2.000 . 2.500 2.214 1.882 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 50 LEU HA 1 50 LEU MD2 2.700 . 3.600 2.321 1.835 3.739 0.139 15 0 "[ . 1 . 2 . 3]" 1
503 1 50 LEU HA 1 51 ASP H 2.900 . 4.000 3.171 3.114 3.249 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 50 LEU HA 1 52 LEU H 3.300 . 4.700 3.557 3.351 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 50 LEU HB2 1 50 LEU MD1 2.500 . 3.300 3.097 2.434 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 50 LEU HB2 1 51 ASP H 3.900 . 5.500 4.121 3.972 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 50 LEU HB3 1 50 LEU MD1 2.500 . 3.300 2.476 2.227 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 50 LEU HB3 1 51 ASP H 3.500 . 5.000 3.867 3.729 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 50 LEU MD1 1 51 ASP H 3.700 . 5.400 4.373 4.203 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 51 ASP H 1 51 ASP HA 2.600 . 3.400 2.873 2.837 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 51 ASP H 1 51 ASP HB2 2.200 . 2.800 2.376 2.084 3.621 0.821 4 3 "[ +- 1 .* 2 . 3]" 1
512 1 51 ASP H 1 52 LEU H 2.600 . 3.400 2.385 2.280 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 51 ASP HA 1 52 LEU H 2.900 . 4.000 3.457 3.406 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 51 ASP QB 1 52 LEU H 3.000 . 4.100 3.086 2.905 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 52 LEU H 1 52 LEU HA 2.800 . 3.800 2.880 2.832 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 52 LEU H 1 52 LEU HB2 2.400 . 3.100 2.329 2.183 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 52 LEU H 1 52 LEU HB3 2.400 . 5.500 3.564 3.488 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 52 LEU H 1 52 LEU QD 2.600 . 3.400 2.049 1.855 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 52 LEU H 1 52 LEU HG 2.900 . 4.000 3.963 3.902 4.034 0.034 3 0 "[ . 1 . 2 . 3]" 1
520 1 52 LEU HA 1 52 LEU QD 2.100 . 2.700 2.302 1.754 2.644 0.146 4 0 "[ . 1 . 2 . 3]" 1
521 1 52 LEU HB3 1 60 LEU QD 2.700 . 5.500 3.820 3.284 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 52 LEU QD 1 70 HIS HD2 3.200 . 4.000 3.351 3.104 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 52 LEU QD 1 70 HIS HE1 2.900 . 3.800 3.123 2.331 3.991 0.191 20 0 "[ . 1 . 2 . 3]" 1
524 1 54 PRO HA 1 55 GLN H 3.200 . 4.500 3.566 3.541 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 54 PRO HA 1 57 VAL H 4.000 . 5.000 4.263 4.110 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 55 GLN H 1 55 GLN HA 2.400 . 3.100 2.872 2.865 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 55 GLN H 1 55 GLN HB2 2.400 . 3.100 2.938 2.324 3.634 0.534 30 9 "[ * . * * . - 2 *.* **+]" 1
528 1 55 GLN H 1 55 GLN HG2 3.200 . 4.500 2.905 2.086 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 55 GLN H 1 55 GLN HG3 3.500 . 5.000 2.595 2.051 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 55 GLN H 1 56 GLU H 2.900 . 4.000 2.486 2.424 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 55 GLN HA 1 56 GLU H 3.600 . 5.200 3.521 3.493 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 55 GLN HA 1 58 PHE H 4.000 . 5.000 3.359 3.185 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 55 GLN HA 1 58 PHE QD 2.600 . 3.400 3.188 2.997 3.483 0.083 25 0 "[ . 1 . 2 . 3]" 1
534 1 55 GLN QB 1 58 PHE QD 2.900 . 4.000 4.028 3.945 4.072 0.072 28 0 "[ . 1 . 2 . 3]" 1
535 1 55 GLN QE 1 55 GLN HG2 3.700 . 5.400 2.739 2.134 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 55 GLN QE 1 55 GLN HG3 3.700 . 5.400 2.687 2.102 3.351 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 55 GLN HG2 1 56 GLU H 3.600 . 5.200 4.216 1.993 5.239 0.039 25 0 "[ . 1 . 2 . 3]" 1
538 1 56 GLU H 1 56 GLU HA 3.000 . 4.100 2.807 2.784 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 56 GLU H 1 56 GLU HB2 2.600 . 3.400 2.198 2.049 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 56 GLU H 1 56 GLU HB3 2.900 . 4.000 3.137 2.568 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 56 GLU H 1 56 GLU HG3 3.100 . 4.300 3.942 2.581 4.479 0.179 16 0 "[ . 1 . 2 . 3]" 1
542 1 56 GLU H 1 57 VAL H 2.400 . 3.100 2.713 2.629 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 56 GLU HA 1 57 VAL H 3.000 . 4.100 3.416 3.331 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 56 GLU HB2 1 57 VAL H 3.100 . 4.300 3.719 3.195 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 56 GLU HB3 1 57 VAL H 3.000 . 4.100 3.479 3.130 4.130 0.030 3 0 "[ . 1 . 2 . 3]" 1
546 1 57 VAL H 1 57 VAL HA 2.800 . 3.800 2.903 2.880 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 57 VAL H 1 57 VAL HB 2.700 . 3.600 2.700 2.622 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 57 VAL H 1 57 VAL MG1 2.600 . 3.400 2.182 1.915 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 57 VAL H 1 57 VAL MG2 2.800 . 3.800 3.813 3.797 3.831 0.031 4 0 "[ . 1 . 2 . 3]" 1
550 1 57 VAL H 1 58 PHE H 2.600 . 3.400 2.280 2.208 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 57 VAL HA 1 57 VAL MG1 2.400 . 3.100 3.199 3.186 3.211 0.111 6 0 "[ . 1 . 2 . 3]" 1
552 1 57 VAL HA 1 57 VAL MG2 2.400 . 3.100 2.291 2.187 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 57 VAL HA 1 58 PHE H 2.800 . 3.800 3.465 3.435 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 57 VAL HA 1 60 LEU H 3.400 . 4.800 3.382 3.287 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 57 VAL HB 1 57 VAL MG2 2.200 . 2.800 2.105 2.079 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 57 VAL HB 1 58 PHE H 2.900 . 4.000 4.026 3.979 4.078 0.078 22 0 "[ . 1 . 2 . 3]" 1
557 1 57 VAL MG1 1 58 PHE H 3.100 . 4.300 2.118 1.920 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 57 VAL MG2 1 58 PHE H 3.000 . 4.100 3.876 3.742 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 57 VAL MG2 1 58 PHE HA 3.000 . 4.100 4.069 3.903 4.213 0.113 21 0 "[ . 1 . 2 . 3]" 1
560 1 57 VAL MG2 1 58 PHE QD 3.100 . 4.300 4.085 3.826 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 58 PHE H 1 58 PHE HA 2.600 . 3.400 2.712 2.678 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 58 PHE H 1 58 PHE HB2 2.500 . 3.300 2.557 2.456 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 58 PHE H 1 58 PHE HB3 2.800 . 3.800 3.621 3.596 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 58 PHE H 1 58 PHE QD 3.300 . 4.700 2.089 1.964 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 58 PHE HA 1 58 PHE HB2 2.900 . 4.000 3.016 3.004 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 58 PHE HA 1 58 PHE HB3 2.500 . 3.300 2.523 2.406 2.568 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 58 PHE HA 1 58 PHE QD 2.700 . 3.600 2.242 2.089 2.329 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 58 PHE HA 1 60 LEU H 3.700 . 5.400 4.360 4.013 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 58 PHE HA 1 61 LEU H 4.000 . 5.000 3.755 3.592 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 58 PHE HA 1 61 LEU HB2 2.700 . 5.500 4.592 4.412 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 58 PHE HA 1 61 LEU QD 3.000 . 4.100 1.859 1.686 2.043 0.214 30 0 "[ . 1 . 2 . 3]" 1
572 1 58 PHE HB2 1 58 PHE QD 2.400 . 3.100 2.670 2.498 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 58 PHE HB3 1 58 PHE QD 2.500 . 3.300 2.493 2.411 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 58 PHE QD 1 61 LEU QD 2.500 . 3.300 2.249 1.808 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 60 LEU H 1 60 LEU HA 2.800 . 3.800 2.861 2.806 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 60 LEU H 1 60 LEU HB2 2.700 . 3.600 2.812 2.532 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 60 LEU H 1 60 LEU HB3 2.600 . 3.400 2.296 2.166 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 60 LEU H 1 60 LEU QD 3.000 . 4.100 3.620 3.519 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 60 LEU H 1 60 LEU HG 2.900 . 5.500 4.391 4.281 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 60 LEU H 1 61 LEU H 2.700 . 3.600 2.603 2.330 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 60 LEU HA 1 60 LEU QD 3.000 . 3.100 2.870 1.882 3.045 0.018 17 0 "[ . 1 . 2 . 3]" 1
582 1 60 LEU HA 1 60 LEU HG 2.600 . 5.500 2.915 2.754 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 60 LEU HA 1 61 LEU H 3.600 . 5.200 3.554 3.529 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 60 LEU HA 1 63 SER H 3.300 . 4.700 3.470 3.064 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 60 LEU HB2 1 60 LEU QD 2.500 . 3.300 1.998 1.881 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 60 LEU HB2 1 61 LEU H 3.600 . 5.200 3.866 3.768 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 60 LEU HB3 1 60 LEU QD 2.600 . 2.800 1.981 1.889 2.197 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 60 LEU MD1 1 60 LEU MD2 2.300 . 3.000 1.985 1.858 2.083 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 60 LEU QD 1 61 LEU HA 3.400 . 4.800 3.110 2.623 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 60 LEU QD 1 66 LEU HB3 3.100 . 4.300 2.614 1.706 3.198 0.194 13 0 "[ . 1 . 2 . 3]" 1
591 1 60 LEU QD 1 67 PHE H 3.100 . 4.300 3.938 2.604 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 60 LEU QD 1 67 PHE HA 3.100 . 3.600 2.717 1.822 3.180 0.078 17 0 "[ . 1 . 2 . 3]" 1
593 1 60 LEU QD 1 67 PHE QD 2.500 . 3.300 2.653 1.877 3.003 0.023 13 0 "[ . 1 . 2 . 3]" 1
594 1 60 LEU QD 1 70 HIS H 3.900 . 5.500 3.592 3.142 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 60 LEU QD 1 70 HIS QB 4.000 . 5.000 2.336 1.791 3.027 0.009 2 0 "[ . 1 . 2 . 3]" 1
596 1 60 LEU QD 1 70 HIS HD2 3.000 . 3.400 2.034 1.790 2.264 0.110 23 0 "[ . 1 . 2 . 3]" 1
597 1 60 LEU QD 1 70 HIS HE1 4.000 . 4.300 4.520 4.198 4.992 0.692 30 3 "[ . 1 . - * . +]" 1
598 1 60 LEU HG 1 66 LEU QD 2.500 . 3.300 3.296 2.866 3.417 0.117 28 0 "[ . 1 . 2 . 3]" 1
599 1 60 LEU HG 1 67 PHE H 3.700 . 5.400 4.543 4.151 5.485 0.085 17 0 "[ . 1 . 2 . 3]" 1
600 1 60 LEU HG 1 70 HIS HD2 3.700 . 5.400 4.347 1.995 4.893 0.005 17 0 "[ . 1 . 2 . 3]" 1
601 1 61 LEU H 1 61 LEU HA 3.000 . 4.100 2.804 2.795 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 61 LEU H 1 61 LEU HB2 2.800 . 3.800 3.578 3.565 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 61 LEU H 1 61 LEU HB3 2.500 . 3.300 2.769 2.684 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 61 LEU H 1 61 LEU QD 3.000 . 4.100 2.808 2.701 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 61 LEU H 1 61 LEU HG 2.600 . 3.400 1.823 1.767 1.904 0.033 17 0 "[ . 1 . 2 . 3]" 1
606 1 61 LEU H 1 62 GLU H 2.600 . 3.400 2.792 2.713 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 61 LEU HA 1 61 LEU HB2 2.200 . 2.800 2.542 2.504 2.568 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 61 LEU HA 1 61 LEU QD 2.200 . 5.500 3.432 3.391 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 61 LEU HA 1 62 GLU H 3.100 . 4.300 3.364 3.278 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 61 LEU HB2 1 61 LEU QD 2.500 . 3.300 1.980 1.924 2.084 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 61 LEU HB2 1 62 GLU H 3.400 . 4.800 4.109 3.963 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 61 LEU HB2 1 67 PHE QD 2.500 . 5.500 4.682 4.077 5.193 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 61 LEU QD 1 61 LEU HG 2.000 . 2.500 1.868 1.852 1.884 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 61 LEU QD 1 63 SER H 3.800 . 5.500 4.605 4.403 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 62 GLU H 1 62 GLU HA 2.600 . 3.400 2.935 2.931 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 62 GLU H 1 62 GLU QB 2.500 . 3.300 2.594 2.230 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 62 GLU H 1 62 GLU HG2 2.700 . 3.600 3.066 2.137 4.430 0.830 25 2 "[ . 1 .- 2 + 3]" 1
618 1 62 GLU H 1 62 GLU HG3 3.100 . 4.300 3.039 1.919 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 62 GLU H 1 63 SER H 2.400 . 3.100 2.117 2.021 2.166 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 62 GLU HA 1 63 SER H 2.900 . 4.000 3.380 3.337 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 62 GLU QB 1 63 SER H 2.900 . 4.000 3.539 3.119 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 62 GLU HG2 1 63 SER H 3.000 . 5.500 4.322 3.320 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 63 SER H 1 63 SER HA 2.900 . 4.000 2.938 2.920 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 63 SER H 1 63 SER HB2 2.700 . 3.600 2.563 2.244 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 63 SER H 1 63 SER HB3 2.700 . 3.600 3.186 2.436 3.748 0.148 11 0 "[ . 1 . 2 . 3]" 1
626 1 63 SER HA 1 64 ASP H 2.600 . 5.500 2.142 2.114 2.165 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 63 SER HA 1 65 GLU H 3.300 . 4.700 4.146 3.866 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 63 SER HB2 1 66 LEU H 3.700 . 5.400 3.768 2.654 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 63 SER HB2 1 66 LEU QD 2.800 . 5.500 3.930 3.103 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 63 SER HB3 1 65 GLU H 3.800 . 5.500 3.935 3.252 4.853 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 63 SER HB3 1 66 LEU H 3.800 . 5.500 2.581 2.076 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 63 SER HB3 1 66 LEU QD 3.100 . 4.300 3.599 2.593 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 64 ASP H 1 64 ASP HA 2.800 . 3.800 2.793 2.773 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 64 ASP H 1 64 ASP HB2 3.000 . 4.100 2.398 2.052 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 64 ASP H 1 64 ASP HB3 2.900 . 4.000 3.277 2.560 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 64 ASP H 1 65 GLU H 2.900 . 4.000 2.820 2.718 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 64 ASP HA 1 65 GLU H 3.200 . 4.500 3.558 3.528 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 64 ASP HA 1 66 LEU H 3.300 . 5.500 4.741 4.541 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 64 ASP HA 1 67 PHE H 3.100 . 4.300 3.568 3.426 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 64 ASP HA 1 67 PHE HB2 2.700 . 3.600 3.079 2.830 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 64 ASP HA 1 67 PHE HB3 4.000 . 5.000 3.066 2.668 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 64 ASP HA 1 67 PHE QD 4.000 . 5.000 4.542 4.311 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 64 ASP HA 1 68 GLU H 3.000 . 4.100 3.954 3.788 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 64 ASP HB2 1 65 GLU H 3.000 . 4.100 2.912 2.198 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 64 ASP HB3 1 65 GLU H 3.300 . 4.700 3.052 2.235 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 65 GLU H 1 65 GLU HA 2.500 . 3.300 2.793 2.730 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 65 GLU H 1 65 GLU HB2 2.600 . 3.400 2.652 2.056 3.599 0.199 27 0 "[ . 1 . 2 . 3]" 1
648 1 65 GLU H 1 65 GLU HB3 2.500 . 3.300 3.131 2.466 3.597 0.297 28 0 "[ . 1 . 2 . 3]" 1
649 1 65 GLU H 1 65 GLU QG 2.900 . 4.000 2.773 1.917 4.007 0.007 24 0 "[ . 1 . 2 . 3]" 1
650 1 65 GLU H 1 66 LEU H 2.600 . 3.400 2.816 2.552 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 65 GLU HA 1 68 GLU H 4.000 . 5.000 3.547 3.342 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 65 GLU HB2 1 66 LEU H 3.400 . 4.800 3.029 2.374 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 65 GLU HB3 1 66 LEU H 3.800 . 5.500 3.210 2.341 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 65 GLU HB3 1 67 PHE H 3.700 . 5.400 5.150 4.662 5.771 0.371 17 0 "[ . 1 . 2 . 3]" 1
655 1 66 LEU H 1 66 LEU HA 2.700 . 3.600 2.799 2.785 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 66 LEU H 1 66 LEU HB2 2.600 . 3.400 2.062 2.027 2.124 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 66 LEU H 1 66 LEU HB3 3.100 . 4.300 3.160 2.967 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 66 LEU H 1 66 LEU QD 3.500 . 4.100 3.020 2.516 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 66 LEU H 1 66 LEU HG 3.400 . 4.800 4.297 3.403 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 66 LEU H 1 67 PHE H 2.700 . 3.600 2.649 2.593 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 66 LEU HA 1 66 LEU QD 2.900 . 3.600 1.926 1.770 2.188 0.030 4 0 "[ . 1 . 2 . 3]" 1
662 1 66 LEU HA 1 67 PHE H 3.500 . 5.000 3.478 3.438 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 66 LEU HA 1 69 GLN H 3.000 . 4.100 3.985 3.651 4.105 0.005 6 0 "[ . 1 . 2 . 3]" 1
664 1 66 LEU HA 1 70 HIS HD2 3.500 . 5.000 4.892 4.547 5.032 0.032 29 0 "[ . 1 . 2 . 3]" 1
665 1 66 LEU HB3 1 66 LEU QD 2.400 . 3.100 2.236 2.042 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 66 LEU HB3 1 67 PHE H 2.900 . 4.000 3.099 2.668 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 66 LEU HB3 1 70 HIS HD2 3.600 . 5.200 4.918 4.124 5.294 0.094 2 0 "[ . 1 . 2 . 3]" 1
668 1 66 LEU QD 1 69 GLN QG 2.700 . 5.500 4.118 2.643 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 66 LEU QD 1 70 HIS HD2 4.000 . 5.000 2.706 2.361 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 66 LEU QD 1 70 HIS HE1 4.000 . 5.000 5.627 3.679 6.331 1.331 23 25 "[******-***** *.* **2**+******3]" 1
671 1 66 LEU HG 1 67 PHE H 3.100 . 5.500 5.319 5.011 5.469 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 67 PHE H 1 67 PHE HA 2.700 . 3.600 2.862 2.794 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 67 PHE H 1 67 PHE HB2 2.600 . 3.400 2.342 2.279 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 67 PHE H 1 67 PHE HB3 2.600 . 3.400 2.852 2.798 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 67 PHE H 1 67 PHE QD 3.400 . 4.800 4.045 3.932 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 67 PHE H 1 68 GLU H 2.800 . 3.800 2.617 2.530 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 67 PHE HA 1 67 PHE HB2 3.000 . 4.100 2.635 2.592 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 67 PHE HA 1 67 PHE QD 2.300 . 3.000 2.596 2.219 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 67 PHE HA 1 68 GLU H 2.800 . 3.800 3.559 3.545 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 67 PHE HA 1 69 GLN H 3.400 . 4.800 4.409 4.257 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 67 PHE HA 1 70 HIS H 4.000 . 5.000 3.742 3.590 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 67 PHE HB2 1 67 PHE QD 2.200 . 2.800 2.498 2.344 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 67 PHE HB2 1 68 GLU H 2.900 . 4.000 3.459 3.364 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 67 PHE HB3 1 67 PHE QD 2.200 . 2.800 2.331 2.271 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 67 PHE HB3 1 68 GLU H 3.200 . 4.500 2.336 2.257 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 67 PHE QD 1 68 GLU H 3.100 . 4.300 3.912 3.616 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 67 PHE QD 1 68 GLU HA 2.600 . 5.500 3.860 3.293 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 67 PHE QD 1 68 GLU HB2 2.900 . 5.500 5.785 5.243 6.016 0.516 20 1 "[ . 1 . + . 3]" 1
689 1 67 PHE QD 1 68 GLU QG 3.200 . 4.500 4.250 4.019 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 67 PHE QD 1 71 TYR QB 3.200 . 4.000 2.603 2.063 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 67 PHE HZ 1 71 TYR QB 2.900 . 4.000 3.723 3.467 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 68 GLU H 1 68 GLU HA 2.600 . 3.400 2.708 2.693 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 68 GLU H 1 68 GLU HB2 2.800 . 3.800 2.397 2.161 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 68 GLU H 1 68 GLU HB3 2.400 . 3.100 3.569 3.476 3.612 0.512 12 3 "[ .* 1 + . 2 . - 3]" 1
695 1 68 GLU H 1 68 GLU QG 3.000 . 4.100 2.487 2.085 3.055 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 68 GLU H 1 69 GLN H 2.900 . 4.000 3.017 2.956 3.067 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 68 GLU HA 1 69 GLN H 3.400 . 4.800 3.563 3.550 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 68 GLU HA 1 71 TYR H 3.000 . 4.100 4.027 3.894 4.108 0.008 8 0 "[ . 1 . 2 . 3]" 1
699 1 68 GLU HA 1 71 TYR QB 3.200 . 4.000 2.911 2.487 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 68 GLU HA 1 71 TYR QD 2.600 . 3.400 2.169 2.029 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 68 GLU HA 1 71 TYR QE 3.000 . 4.100 4.105 4.005 4.137 0.037 13 0 "[ . 1 . 2 . 3]" 1
702 1 68 GLU HB3 1 69 GLN H 2.300 . 3.000 3.300 3.029 3.587 0.587 13 3 "[ .* 1 + . 2 . - 3]" 1
703 1 69 GLN H 1 69 GLN HA 2.600 . 3.400 2.792 2.775 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 69 GLN H 1 69 GLN QB 2.400 . 3.100 2.250 2.035 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 69 GLN H 1 69 GLN QG 3.000 . 4.100 2.994 1.886 3.981 0.014 11 0 "[ . 1 . 2 . 3]" 1
706 1 69 GLN H 1 70 HIS H 2.600 . 3.400 2.943 2.847 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 69 GLN H 1 71 TYR H 4.200 . 5.500 4.243 4.148 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 69 GLN HA 1 70 HIS H 3.500 . 5.000 3.555 3.545 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 69 GLN HA 1 72 LYS H 2.900 . 4.000 3.682 3.599 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 69 GLN HA 1 72 LYS HB2 2.800 . 3.800 2.590 2.369 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 69 GLN QB 1 70 HIS H 2.700 . 3.600 2.176 2.006 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 69 GLN QB 1 70 HIS HD2 4.000 . 4.000 3.942 3.729 4.030 0.030 8 0 "[ . 1 . 2 . 3]" 1
713 1 70 HIS H 1 70 HIS HA 2.800 . 3.800 2.818 2.813 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 70 HIS H 1 70 HIS HB2 2.400 . 3.100 2.212 2.113 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 70 HIS H 1 70 HIS HD2 3.300 . 4.700 3.485 3.117 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 70 HIS H 1 71 TYR H 2.700 . 3.600 2.758 2.701 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 70 HIS H 1 72 LYS H 3.700 . 5.400 3.769 3.719 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 70 HIS HA 1 71 TYR H 3.700 . 5.400 3.555 3.542 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 70 HIS HA 1 72 LYS H 4.000 . 5.000 3.738 3.658 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 70 HIS HA 1 73 GLU H 3.100 . 4.300 4.062 3.769 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 70 HIS QB 1 71 TYR H 2.800 . 3.800 2.505 2.314 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 70 HIS HB2 1 70 HIS HD2 2.600 . 3.400 2.716 2.688 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 71 TYR H 1 71 TYR HA 2.700 . 3.600 2.815 2.794 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 71 TYR H 1 71 TYR QB 2.600 . 3.300 2.116 2.089 2.141 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 71 TYR H 1 71 TYR QD 4.100 . 5.500 3.999 3.914 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 71 TYR H 1 72 LYS H 3.000 . 4.100 2.671 2.610 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 71 TYR HA 1 71 TYR QD 2.500 . 3.300 2.837 2.591 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 71 TYR HA 1 71 TYR QE 3.700 . 5.400 4.916 4.781 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 71 TYR HA 1 72 LYS H 3.600 . 5.200 3.395 3.359 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 71 TYR HA 1 74 ALA H 3.300 . 4.700 3.493 3.380 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 71 TYR HA 1 74 ALA MB 3.200 . 4.000 2.582 2.277 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 71 TYR HA 1 75 SER H 4.000 . 5.000 3.979 3.756 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 71 TYR QB 1 71 TYR QD 2.200 . 2.800 2.135 2.126 2.147 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 71 TYR QB 1 72 LYS H 2.800 . 4.700 3.329 3.218 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 71 TYR QD 1 72 LYS H 3.100 . 4.300 4.079 3.774 4.311 0.011 13 0 "[ . 1 . 2 . 3]" 1
736 1 71 TYR QD 1 74 ALA MB 4.000 . 5.000 3.192 2.911 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 71 TYR QE 1 74 ALA MB 3.200 . 4.500 4.413 4.122 4.552 0.052 14 0 "[ . 1 . 2 . 3]" 1
738 1 72 LYS H 1 72 LYS HA 2.400 . 3.100 2.826 2.803 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 72 LYS H 1 72 LYS HB2 2.600 . 3.400 2.271 2.076 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 72 LYS H 1 72 LYS HB3 2.400 . 3.100 2.926 2.492 3.302 0.202 19 0 "[ . 1 . 2 . 3]" 1
741 1 72 LYS H 1 72 LYS HD2 3.800 . 5.500 5.013 4.114 5.747 0.247 19 0 "[ . 1 . 2 . 3]" 1
742 1 72 LYS H 1 73 GLU H 2.800 . 3.800 2.862 2.711 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 72 LYS HA 1 73 GLU H 3.300 . 4.700 3.568 3.551 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 72 LYS HA 1 74 ALA H 4.200 . 5.500 4.359 4.145 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 72 LYS HA 1 75 SER H 3.500 . 5.000 3.318 3.146 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 72 LYS HA 1 76 ALA MB 2.900 . 5.500 5.315 5.080 5.521 0.021 19 0 "[ . 1 . 2 . 3]" 1
747 1 72 LYS HB2 1 73 GLU H 2.800 . 3.800 3.235 2.801 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 72 LYS HD2 1 73 GLU H 3.400 . 4.800 4.440 2.877 5.684 0.884 19 5 "[ . *1 * +* - 3]" 1
749 1 72 LYS HG3 1 73 GLU H 3.700 . 5.400 4.600 3.212 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 73 GLU H 1 73 GLU HA 2.400 . 3.100 2.763 2.750 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 73 GLU H 1 73 GLU HB2 2.200 . 2.800 2.249 2.060 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 73 GLU H 1 73 GLU HG2 3.200 . 4.500 3.908 2.033 4.615 0.115 9 0 "[ . 1 . 2 . 3]" 1
753 1 73 GLU H 1 73 GLU HG3 2.800 . 3.800 3.379 1.947 4.222 0.422 8 0 "[ . 1 . 2 . 3]" 1
754 1 73 GLU H 1 74 ALA H 2.600 . 3.400 2.781 2.735 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 73 GLU HA 1 74 ALA H 2.900 . 4.000 3.520 3.502 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 73 GLU HA 1 76 ALA H 3.400 . 4.800 3.846 3.663 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 73 GLU HA 1 76 ALA MB 4.000 . 5.000 3.323 3.131 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 73 GLU HA 1 77 ALA H 4.000 . 5.000 4.964 4.796 5.057 0.057 15 0 "[ . 1 . 2 . 3]" 1
759 1 73 GLU QB 1 74 ALA H 2.300 . 3.000 2.660 2.475 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 74 ALA H 1 74 ALA HA 2.400 . 3.100 2.847 2.823 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 74 ALA H 1 74 ALA MB 2.100 . 2.700 2.106 2.024 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 74 ALA H 1 75 SER H 2.500 . 3.300 2.504 2.419 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 74 ALA H 1 76 ALA H 4.000 . 5.000 4.475 4.348 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 74 ALA HA 1 74 ALA MB 2.100 . 2.700 2.096 2.084 2.119 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 74 ALA HA 1 75 SER H 3.000 . 4.100 3.501 3.470 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 74 ALA HA 1 77 ALA H 2.700 . 3.600 3.391 3.254 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 74 ALA HA 1 78 TYR H 3.600 . 5.200 4.414 4.013 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 74 ALA MB 1 75 SER H 2.600 . 3.400 2.788 2.511 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 74 ALA MB 1 76 ALA H 3.700 . 5.400 4.822 4.694 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 74 ALA MB 1 77 ALA H 3.200 . 4.500 4.475 4.348 4.548 0.048 4 0 "[ . 1 . 2 . 3]" 1
771 1 74 ALA MB 1 78 TYR H 4.000 . 5.500 4.556 4.222 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 74 ALA MB 1 78 TYR QD 3.500 . 5.000 4.804 4.347 5.067 0.067 27 0 "[ . 1 . 2 . 3]" 1
773 1 75 SER H 1 75 SER HA 2.500 . 3.300 2.791 2.741 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 75 SER H 1 75 SER HB2 2.700 . 3.600 2.705 2.095 3.614 0.014 24 0 "[ . 1 . 2 . 3]" 1
775 1 75 SER H 1 75 SER HB3 2.700 . 3.600 2.502 2.174 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 75 SER H 1 76 ALA H 2.700 . 3.600 2.835 2.673 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 75 SER HA 1 76 ALA H 3.500 . 5.000 3.565 3.550 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 75 SER HA 1 78 TYR H 4.000 . 5.000 3.067 2.931 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 75 SER HA 1 78 TYR QB 3.200 . 4.000 1.956 1.793 2.167 0.007 6 0 "[ . 1 . 2 . 3]" 1
780 1 75 SER HA 1 78 TYR QD 2.900 . 4.000 2.824 2.573 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 75 SER HA 1 79 GLU H 3.500 . 5.000 4.502 3.691 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 75 SER HB2 1 76 ALA H 2.900 . 4.000 3.745 3.005 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 75 SER HB3 1 76 ALA H 3.800 . 5.500 2.538 2.237 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 76 ALA H 1 76 ALA HA 2.400 . 3.100 2.749 2.733 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 76 ALA H 1 76 ALA MB 2.200 . 2.800 2.126 2.037 2.253 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 76 ALA H 1 77 ALA H 2.400 . 3.100 2.816 2.764 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 76 ALA HA 1 76 ALA MB 2.000 . 2.500 2.106 2.085 2.133 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 76 ALA HA 1 79 GLU H 2.900 . 4.000 3.941 3.629 4.037 0.037 19 0 "[ . 1 . 2 . 3]" 1
789 1 76 ALA HA 1 79 GLU QB 3.200 . 4.000 3.855 3.563 4.060 0.060 17 0 "[ . 1 . 2 . 3]" 1
790 1 77 ALA H 1 77 ALA HA 2.500 . 3.300 2.881 2.862 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 77 ALA H 1 77 ALA MB 2.000 . 2.500 2.196 2.051 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 77 ALA H 1 78 TYR H 2.700 . 3.600 2.376 2.304 2.440 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 77 ALA HA 1 77 ALA MB 2.000 . 2.500 2.111 2.084 2.130 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 77 ALA HA 1 80 SER H 4.000 . 5.000 3.315 3.139 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 77 ALA HA 1 81 PHE QD 3.300 . 4.600 4.004 3.310 4.605 0.005 17 0 "[ . 1 . 2 . 3]" 1
796 1 77 ALA MB 1 78 TYR H 2.500 . 3.300 2.896 2.448 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 77 ALA MB 1 79 GLU H 3.400 . 4.800 4.849 4.750 4.895 0.095 8 0 "[ . 1 . 2 . 3]" 1
798 1 77 ALA MB 1 80 SER H 3.300 . 4.700 4.569 4.351 4.763 0.063 24 0 "[ . 1 . 2 . 3]" 1
799 1 77 ALA MB 1 80 SER QB 3.100 . 4.300 3.599 3.296 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 78 TYR H 1 78 TYR HA 2.500 . 3.300 2.783 2.719 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 78 TYR H 1 78 TYR QB 2.600 . 3.400 2.178 2.147 2.210 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 78 TYR H 1 78 TYR QD 3.500 . 5.000 4.164 4.137 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 78 TYR H 1 79 GLU H 2.800 . 3.800 2.815 2.603 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 78 TYR HA 1 78 TYR QB 3.100 . 3.400 2.434 2.310 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 78 TYR HA 1 78 TYR QD 2.200 . 2.800 2.561 2.266 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 78 TYR HA 1 78 TYR QE 3.300 . 4.700 4.491 4.419 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 78 TYR HA 1 81 PHE H 4.000 . 5.000 3.958 3.659 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 78 TYR HA 1 81 PHE QB 2.800 . 3.800 3.295 2.732 3.859 0.059 24 0 "[ . 1 . 2 . 3]" 1
809 1 78 TYR HA 1 82 LYS H 3.900 . 5.500 3.929 3.388 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 78 TYR QB 1 78 TYR QD 2.200 . 2.800 2.239 2.199 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 78 TYR QB 1 79 GLU H 2.800 . 3.800 2.200 2.000 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 78 TYR QD 1 79 GLU H 3.300 . 4.700 3.776 3.639 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 78 TYR QD 1 79 GLU HA 2.900 . 4.000 3.592 3.355 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 78 TYR QD 1 79 GLU QB 2.700 . 5.500 5.000 4.749 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 78 TYR QD 1 81 PHE H 3.600 . 5.200 4.943 4.435 5.201 0.001 23 0 "[ . 1 . 2 . 3]" 1
816 1 78 TYR QD 1 82 LYS HA 4.000 . 5.000 4.857 4.569 5.033 0.033 12 0 "[ . 1 . 2 . 3]" 1
817 1 78 TYR QD 1 82 LYS QB 3.200 . 3.300 2.744 2.094 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 78 TYR QD 1 82 LYS QG 3.900 . 5.500 2.225 1.984 2.843 0.016 20 0 "[ . 1 . 2 . 3]" 1
819 1 78 TYR QE 1 82 LYS HA 4.000 . 5.000 5.052 4.921 5.144 0.144 1 0 "[ . 1 . 2 . 3]" 1
820 1 78 TYR QE 1 82 LYS QB 3.200 . 4.000 3.263 2.492 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 78 TYR QE 1 82 LYS QG 2.500 . 5.500 2.278 1.610 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 79 GLU H 1 79 GLU HA 2.600 . 3.400 2.810 2.784 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 79 GLU H 1 79 GLU HB2 2.200 . 2.800 2.390 2.049 3.582 0.782 17 3 "[ . 1 -. + 2 * 3]" 1
824 1 79 GLU H 1 79 GLU HG3 2.600 . 3.400 3.042 2.226 3.763 0.363 23 0 "[ . 1 . 2 . 3]" 1
825 1 79 GLU H 1 80 SER H 2.600 . 3.400 2.733 2.655 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 79 GLU HA 1 80 SER H 2.700 . 3.600 3.546 3.515 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 79 GLU HA 1 81 PHE H 3.300 . 4.700 4.611 4.326 4.751 0.051 24 0 "[ . 1 . 2 . 3]" 1
828 1 79 GLU HA 1 83 LYS QG 2.400 . 3.100 3.010 2.590 3.128 0.028 13 0 "[ . 1 . 2 . 3]" 1
829 1 79 GLU QB 1 80 SER H 2.600 . 3.400 2.644 2.334 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 79 GLU QG 1 80 SER H 3.500 . 5.000 4.042 1.986 4.462 0.014 14 0 "[ . 1 . 2 . 3]" 1
831 1 80 SER H 1 80 SER HA 2.100 . 2.700 2.772 2.766 2.782 0.082 26 0 "[ . 1 . 2 . 3]" 1
832 1 80 SER H 1 80 SER HB2 2.100 . 2.700 2.254 2.062 2.702 0.002 23 0 "[ . 1 . 2 . 3]" 1
833 1 80 SER H 1 80 SER QB 2.300 . 3.000 2.190 2.042 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 80 SER H 1 82 LYS H 3.200 . 4.500 4.306 3.996 4.521 0.021 3 0 "[ . 1 . 2 . 3]" 1
835 1 80 SER HA 1 82 LYS H 3.600 . 5.200 4.819 4.373 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 80 SER HA 1 83 LYS H 3.100 . 4.300 3.885 3.631 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 80 SER HB2 1 81 PHE H 2.400 . 3.100 3.081 2.375 3.924 0.824 23 5 "[ - .* 1 . 2 +** 3]" 1
838 1 81 PHE H 1 81 PHE HA 2.200 . 2.800 2.829 2.815 2.838 0.038 3 0 "[ . 1 . 2 . 3]" 1
839 1 81 PHE H 1 81 PHE HB2 2.100 . 2.700 2.227 2.053 3.427 0.727 24 1 "[ . 1 . 2 +. 3]" 1
840 1 81 PHE H 1 81 PHE QD 3.500 . 5.000 3.016 2.037 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 81 PHE H 1 82 LYS H 2.400 . 3.100 2.688 2.573 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 81 PHE HA 1 82 LYS H 3.400 . 4.800 3.557 3.506 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 81 PHE HA 1 84 GLU H 4.000 . 5.000 3.565 3.166 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 81 PHE QB 1 81 PHE QD 2.100 . 2.700 2.130 2.107 2.176 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 81 PHE QB 1 82 LYS H 2.400 . 3.100 2.591 2.298 3.167 0.067 24 0 "[ . 1 . 2 . 3]" 1
846 1 81 PHE QD 1 82 LYS H 3.600 . 5.200 4.408 2.977 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 81 PHE QD 1 82 LYS QG 3.200 . 5.500 5.432 4.517 5.572 0.072 20 0 "[ . 1 . 2 . 3]" 1
848 1 82 LYS H 1 82 LYS HA 2.300 . 3.000 2.813 2.767 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 82 LYS H 1 82 LYS QB 2.800 . 3.100 2.285 2.062 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 82 LYS H 1 82 LYS HG3 2.600 . 3.400 3.366 1.981 4.096 0.696 18 4 "[ . 1 . + 2 - * *3]" 1
851 1 82 LYS H 1 83 LYS H 2.500 . 3.300 2.694 2.464 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 82 LYS HA 1 82 LYS QB 2.200 . 2.800 2.385 2.165 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 82 LYS HA 1 82 LYS HG3 2.700 . 3.600 3.537 2.925 3.794 0.194 2 0 "[ . 1 . 2 . 3]" 1
854 1 82 LYS HA 1 83 LYS H 2.700 . 3.600 3.520 3.401 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 82 LYS HA 1 84 GLU H 4.300 . 5.500 4.325 3.752 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 82 LYS HA 1 85 GLN H 3.400 . 4.800 4.181 3.574 4.817 0.017 11 0 "[ . 1 . 2 . 3]" 1
857 1 82 LYS QB 1 83 LYS H 3.000 . 4.000 2.941 2.344 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 82 LYS QG 1 83 LYS H 3.800 . 5.500 3.648 1.998 4.585 0.002 7 0 "[ . 1 . 2 . 3]" 1
859 1 83 LYS H 1 83 LYS HA 2.400 . 3.100 2.865 2.784 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 83 LYS H 1 83 LYS HB2 2.200 . 2.800 2.405 2.264 2.575 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 83 LYS H 1 83 LYS QG 2.900 . 4.000 2.557 2.074 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 83 LYS H 1 84 GLU H 2.400 . 3.100 2.521 2.273 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 83 LYS HB2 1 84 GLU H 2.600 . 3.400 2.958 2.358 3.541 0.141 10 0 "[ . 1 . 2 . 3]" 1
864 1 84 GLU H 1 84 GLU HA 2.400 . 3.100 2.855 2.798 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 84 GLU H 1 84 GLU QB 2.000 . 2.500 2.200 2.047 2.551 0.051 12 0 "[ . 1 . 2 . 3]" 1
866 1 84 GLU H 1 84 GLU HG2 3.300 . 4.700 4.145 2.077 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 84 GLU H 1 84 GLU HG3 3.200 . 4.500 3.970 2.498 4.523 0.023 30 0 "[ . 1 . 2 . 3]" 1
868 1 85 GLN H 1 85 GLN HA 2.500 . 3.300 2.873 2.819 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 85 GLN H 1 85 GLN HB2 2.500 . 3.300 2.517 2.087 3.652 0.352 10 0 "[ . 1 . 2 . 3]" 1
870 1 85 GLN H 1 85 GLN HB3 2.700 . 3.600 3.330 2.687 3.613 0.013 20 0 "[ . 1 . 2 . 3]" 1
871 1 85 GLN H 1 85 GLN QG 2.700 . 3.600 2.810 1.908 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 85 GLN HA 1 86 GLU H 2.300 . 3.000 2.458 2.143 3.023 0.023 20 0 "[ . 1 . 2 . 3]" 1
873 1 85 GLN HA 1 87 GLN H 4.000 . 5.000 3.316 2.923 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 85 GLN HA 1 88 GLN H 4.000 . 5.000 4.304 3.148 5.016 0.016 28 0 "[ . 1 . 2 . 3]" 1
875 1 85 GLN HB2 1 86 GLU H 2.900 . 4.000 4.409 3.893 4.669 0.669 13 12 "[ *** 1- +*.** *2 * . * *]" 1
876 1 85 GLN QG 1 86 GLU H 3.500 . 5.000 4.233 3.166 4.794 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 86 GLU H 1 86 GLU HA 2.700 . 3.600 2.889 2.837 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 86 GLU H 1 86 GLU HB3 2.300 . 3.000 3.185 2.663 3.593 0.593 17 8 "[** .* -* * . + 2 . *]" 1
879 1 86 GLU H 1 86 GLU HG2 3.600 . 5.200 3.333 2.061 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 86 GLU H 1 86 GLU HG3 2.800 . 3.800 3.142 2.005 4.512 0.712 20 2 "[ . - 1 . + . 3]" 1
881 1 86 GLU HA 1 87 GLN H 2.600 . 3.400 3.241 2.913 3.441 0.041 12 0 "[ . 1 . 2 . 3]" 1
882 1 87 GLN H 1 87 GLN HA 2.600 . 3.400 2.908 2.859 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 87 GLN H 1 87 GLN HB2 2.300 . 3.000 2.464 2.092 3.650 0.650 29 3 "[ . -1 . 2 * . +3]" 1
884 1 87 GLN H 1 88 GLN H 2.500 . 3.300 2.386 2.041 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 87 GLN HA 1 88 GLN H 2.700 . 3.600 3.533 3.411 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 88 GLN H 1 88 GLN HA 2.900 . 4.000 2.898 2.852 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 88 GLN H 1 88 GLN HB2 2.500 . 3.300 2.458 2.098 3.690 0.390 18 0 "[ . 1 . 2 . 3]" 1
888 1 88 GLN H 1 88 GLN HG2 3.100 . 4.300 4.002 1.985 4.728 0.428 12 0 "[ . 1 . 2 . 3]" 1
889 1 88 GLN HA 1 89 THR H 2.500 . 3.300 2.328 2.141 3.314 0.014 1 0 "[ . 1 . 2 . 3]" 1
890 1 88 GLN HB2 1 89 THR H 4.200 . 5.500 4.259 2.427 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 88 GLN HB3 1 89 THR H 3.900 . 5.500 3.839 2.342 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 89 THR H 1 89 THR HA 2.700 . 3.600 2.934 2.906 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 89 THR H 1 89 THR HB 2.800 . 3.800 3.192 2.577 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 89 THR H 1 89 THR MG 3.900 . 5.500 2.940 2.069 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 89 THR H 1 90 GLU H 3.000 . 4.100 3.875 2.789 4.171 0.071 11 0 "[ . 1 . 2 . 3]" 1
896 1 89 THR HA 1 90 GLU H 2.400 . 3.100 2.444 2.178 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 89 THR HB 1 89 THR MG 3.000 . 4.100 2.095 2.072 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 90 GLU H 1 90 GLU HA 2.500 . 3.300 2.867 2.818 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
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