NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370938 |
1c2n   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1c2n
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 1041
_Distance_constraint_stats_list.Viol_count 1889
_Distance_constraint_stats_list.Viol_total 3964.072
_Distance_constraint_stats_list.Viol_max 0.920
_Distance_constraint_stats_list.Viol_rms 0.0551
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.1049
_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 22 GLY 3.026 0.355 11 0 "[ . 1 . 2]"
1 23 ASP 3.553 0.355 11 0 "[ . 1 . 2]"
1 24 ALA 0.473 0.132 20 0 "[ . 1 . 2]"
1 25 ALA 0.138 0.028 6 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.078 0.028 6 0 "[ . 1 . 2]"
1 28 GLU 0.072 0.023 2 0 "[ . 1 . 2]"
1 29 LYS 0.595 0.228 10 0 "[ . 1 . 2]"
1 30 GLU 4.134 0.729 9 4 "[ . +1 - * *]"
1 31 PHE 0.954 0.197 12 0 "[ . 1 . 2]"
1 32 ASN 0.825 0.079 8 0 "[ . 1 . 2]"
1 33 LYS 2.283 0.633 16 1 "[ . 1 .+ 2]"
1 34 CYS 5.159 0.359 6 0 "[ . 1 . 2]"
1 35 LYS 0.732 0.197 12 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 CYS 3.044 0.262 9 0 "[ . 1 . 2]"
1 38 HIS 0.592 0.071 16 0 "[ . 1 . 2]"
1 39 SER 2.193 0.112 12 0 "[ . 1 . 2]"
1 40 ILE 4.115 0.599 18 2 "[ . -1 . + 2]"
1 41 ILE 0.514 0.094 3 0 "[ . 1 . 2]"
1 42 ALA 0.322 0.049 4 0 "[ . 1 . 2]"
1 43 PRO 0.374 0.030 3 0 "[ . 1 . 2]"
1 44 ASP 0.936 0.065 7 0 "[ . 1 . 2]"
1 45 GLY 6.193 0.326 3 0 "[ . 1 . 2]"
1 46 THR 0.379 0.063 17 0 "[ . 1 . 2]"
1 47 GLU 5.478 0.701 15 6 "[ * -. * 1 * + * 2]"
1 48 ILE 0.298 0.104 7 0 "[ . 1 . 2]"
1 49 VAL 0.308 0.070 16 0 "[ . 1 . 2]"
1 50 LYS 3.961 0.643 16 5 "[* -. 1 * .+* 2]"
1 51 GLY 3.872 0.310 15 0 "[ . 1 . 2]"
1 52 ALA 2.976 0.310 15 0 "[ . 1 . 2]"
1 53 LYS 0.629 0.179 9 0 "[ . 1 . 2]"
1 54 THR 0.496 0.179 9 0 "[ . 1 . 2]"
1 55 GLY 1.591 0.112 12 0 "[ . 1 . 2]"
1 56 PRO 0.068 0.045 12 0 "[ . 1 . 2]"
1 57 ASN 3.362 0.469 4 0 "[ . 1 . 2]"
1 58 LEU 7.749 0.919 3 2 "[ + . 1 . - 2]"
1 59 TYR 3.176 0.510 9 1 "[ . +1 . 2]"
1 60 GLY 5.457 0.325 6 0 "[ . 1 . 2]"
1 61 VAL 0.483 0.075 10 0 "[ . 1 . 2]"
1 62 VAL 1.026 0.079 18 0 "[ . 1 . 2]"
1 63 GLY 3.604 0.237 16 0 "[ . 1 . 2]"
1 64 ARG 4.523 0.237 16 0 "[ . 1 . 2]"
1 65 THR 0.172 0.058 15 0 "[ . 1 . 2]"
1 66 ALA 0.322 0.111 1 0 "[ . 1 . 2]"
1 67 GLY 1.073 0.132 14 0 "[ . 1 . 2]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PRO 5.746 0.783 1 9 "[+ ** **-* . **]"
1 71 GLU 6.456 0.783 1 9 "[+ ** **-* . **]"
1 72 PHE 2.124 0.084 3 0 "[ . 1 . 2]"
1 73 LYS 2.611 0.161 14 0 "[ . 1 . 2]"
1 74 TYR 0.429 0.051 3 0 "[ . 1 . 2]"
1 75 LYS 7.538 0.779 18 7 "[ . ** * *+*-]"
1 76 ASP 6.833 0.779 18 7 "[ . ** * *+*-]"
1 77 SER 3.704 0.195 20 0 "[ . 1 . 2]"
1 78 ILE 3.029 0.195 20 0 "[ . 1 . 2]"
1 79 VAL 0.542 0.132 14 0 "[ . 1 . 2]"
1 80 ALA 1.167 0.065 7 0 "[ . 1 . 2]"
1 81 LEU 2.302 0.253 14 0 "[ . 1 . 2]"
1 82 GLY 1.878 0.108 17 0 "[ . 1 . 2]"
1 83 ALA 0.153 0.029 3 0 "[ . 1 . 2]"
1 84 SER 0.227 0.056 6 0 "[ . 1 . 2]"
1 85 GLY 0.614 0.105 14 0 "[ . 1 . 2]"
1 86 PHE 1.959 0.105 14 0 "[ . 1 . 2]"
1 87 ALA 0.786 0.087 15 0 "[ . 1 . 2]"
1 88 TRP 4.629 0.919 3 1 "[ + . 1 . 2]"
1 89 THR 1.460 0.123 17 0 "[ . 1 . 2]"
1 90 GLU 9.803 0.600 11 3 "[ . 1+-* . 2]"
1 91 GLU 15.781 0.630 5 11 "[ **+ *****.-** 2]"
1 92 ASP 6.520 0.522 18 2 "[ . 1 .- + 2]"
1 93 ILE 0.983 0.151 7 0 "[ . 1 . 2]"
1 94 ALA 0.263 0.048 4 0 "[ . 1 . 2]"
1 95 THR 0.091 0.028 18 0 "[ . 1 . 2]"
1 96 TYR 0.961 0.108 17 0 "[ . 1 . 2]"
1 97 VAL 2.814 0.194 2 0 "[ . 1 . 2]"
1 98 LYS 1.675 0.194 2 0 "[ . 1 . 2]"
1 99 ASP 3.280 0.687 18 4 "[ * . - 1 * . + 2]"
1 100 PRO 3.318 0.536 18 4 "[ . -* .* + 2]"
1 101 GLY 7.412 0.536 18 4 "[ . -* .* + 2]"
1 102 ALA 0.681 0.065 6 0 "[ . 1 . 2]"
1 103 PHE 0.140 0.035 12 0 "[ . 1 . 2]"
1 104 LEU 7.449 0.601 2 1 "[ + . 1 . 2]"
1 105 LYS 9.319 0.903 8 7 "[ *. + * -*** 2]"
1 106 GLU 4.176 0.663 4 3 "[ +. -1 * . 2]"
1 107 LYS 7.253 0.663 4 3 "[ +. -1 * . 2]"
1 108 LEU 1.468 0.148 15 0 "[ . 1 . 2]"
1 109 ASP 7.261 0.424 14 0 "[ . 1 . 2]"
1 110 ASP 2.124 0.256 16 0 "[ . 1 . 2]"
1 111 LYS 4.312 0.779 16 2 "[ - . 1 .+ 2]"
1 112 LYS 4.739 0.779 16 2 "[ - . 1 .+ 2]"
1 113 ALA 2.652 0.188 6 0 "[ . 1 . 2]"
1 114 LYS 1.461 0.601 2 1 "[ + . 1 . 2]"
1 115 THR 8.250 0.920 1 7 "[+* .- 1** *. *2]"
1 116 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 MET 9.870 0.920 1 7 "[+* .- 1** *. *2]"
1 118 ALA 2.082 0.238 15 0 "[ . 1 . 2]"
1 119 PHE 2.873 0.145 11 0 "[ . 1 . 2]"
1 120 LYS 7.728 0.687 18 5 "[ * . - 1* * . + 2]"
1 121 LEU 1.833 0.209 13 0 "[ . 1 . 2]"
1 122 ALA 0.516 0.088 2 0 "[ . 1 . 2]"
1 123 LYS 2.851 0.209 13 0 "[ . 1 . 2]"
1 124 GLY 0.184 0.048 8 0 "[ . 1 . 2]"
1 125 GLY 0.957 0.188 10 0 "[ . 1 . 2]"
1 126 GLU 1.963 0.243 3 0 "[ . 1 . 2]"
1 127 ASP 1.551 0.243 3 0 "[ . 1 . 2]"
1 128 VAL 0.431 0.054 8 0 "[ . 1 . 2]"
1 129 ALA 0.411 0.048 4 0 "[ . 1 . 2]"
1 130 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 TYR 0.442 0.050 11 0 "[ . 1 . 2]"
1 132 LEU 5.992 0.359 11 0 "[ . 1 . 2]"
1 133 ALA 0.316 0.052 16 0 "[ . 1 . 2]"
1 134 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 VAL 0.837 0.319 4 0 "[ . 1 . 2]"
1 136 VAL 2.694 0.323 2 0 "[ . 1 . 2]"
1 137 LYS 1.731 0.323 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 GLY HA2 1 23 ASP H 3.256 . 3.256 2.689 2.150 3.172 . 0 0 "[ . 1 . 2]" 1
2 1 22 GLY HA3 1 23 ASP H 3.087 . 3.087 3.074 2.233 3.442 0.355 11 0 "[ . 1 . 2]" 1
3 1 23 ASP H 1 23 ASP QB . . 3.010 2.363 2.268 2.583 . 0 0 "[ . 1 . 2]" 1
4 1 23 ASP H 1 24 ALA H 4.000 . 4.000 3.955 3.809 4.132 0.132 20 0 "[ . 1 . 2]" 1
5 1 23 ASP H 1 24 ALA MB 5.500 . 6.500 5.408 5.341 5.459 . 0 0 "[ . 1 . 2]" 1
6 1 23 ASP H 1 127 ASP H 6.000 . 6.000 4.474 4.026 5.246 . 0 0 "[ . 1 . 2]" 1
7 1 23 ASP H 1 127 ASP HA 2.930 . 2.930 2.698 2.412 2.959 0.029 2 0 "[ . 1 . 2]" 1
8 1 23 ASP HA 1 24 ALA H 2.600 . 2.600 2.301 2.073 2.517 . 0 0 "[ . 1 . 2]" 1
9 1 23 ASP HA 1 25 ALA H 4.427 . 4.427 3.590 3.455 3.758 . 0 0 "[ . 1 . 2]" 1
10 1 23 ASP QB 1 24 ALA H 5.361 . 5.361 3.949 3.815 4.054 . 0 0 "[ . 1 . 2]" 1
11 1 23 ASP QB 1 25 ALA H 6.000 . 6.000 3.976 3.550 4.473 . 0 0 "[ . 1 . 2]" 1
12 1 23 ASP QB 1 26 LYS H 4.879 . 4.879 2.963 2.513 3.404 . 0 0 "[ . 1 . 2]" 1
13 1 23 ASP QB 1 27 GLY H 4.000 . 4.000 3.763 3.488 3.939 . 0 0 "[ . 1 . 2]" 1
14 1 24 ALA H 1 24 ALA MB 3.281 . 4.281 2.225 2.203 2.246 . 0 0 "[ . 1 . 2]" 1
15 1 24 ALA H 1 25 ALA H 3.259 . 3.259 3.084 2.974 3.263 0.004 3 0 "[ . 1 . 2]" 1
16 1 24 ALA H 1 26 LYS H 5.500 . 5.500 4.643 4.434 4.955 . 0 0 "[ . 1 . 2]" 1
17 1 24 ALA H 1 127 ASP HA 5.000 . 5.000 4.237 3.729 4.933 . 0 0 "[ . 1 . 2]" 1
18 1 24 ALA H 1 130 ALA HA 6.000 . 6.000 5.634 5.460 5.956 . 0 0 "[ . 1 . 2]" 1
19 1 24 ALA H 1 130 ALA MB 4.000 . 5.000 2.856 2.689 3.171 . 0 0 "[ . 1 . 2]" 1
20 1 24 ALA HA 1 25 ALA H 4.000 . 4.000 3.581 3.555 3.609 . 0 0 "[ . 1 . 2]" 1
21 1 24 ALA HA 1 27 GLY H 3.534 . 3.534 3.311 3.213 3.404 . 0 0 "[ . 1 . 2]" 1
22 1 24 ALA HA 1 28 GLU H 5.298 . 5.298 3.915 3.804 4.035 . 0 0 "[ . 1 . 2]" 1
23 1 24 ALA HA 1 131 TYR H 3.319 . 3.319 2.822 2.625 3.162 . 0 0 "[ . 1 . 2]" 1
24 1 24 ALA MB 1 25 ALA H 2.600 . 3.600 2.723 2.561 2.868 . 0 0 "[ . 1 . 2]" 1
25 1 25 ALA H 1 25 ALA HA 3.000 . 3.000 2.867 2.814 2.911 . 0 0 "[ . 1 . 2]" 1
26 1 25 ALA H 1 25 ALA MB 2.600 . 3.600 2.261 2.225 2.308 . 0 0 "[ . 1 . 2]" 1
27 1 25 ALA H 1 26 LYS H 3.050 . 3.050 2.717 2.537 2.875 . 0 0 "[ . 1 . 2]" 1
28 1 25 ALA H 1 27 GLY H 4.000 . 4.000 3.874 3.679 4.028 0.028 6 0 "[ . 1 . 2]" 1
29 1 25 ALA HA 1 26 LYS H 3.725 . 3.725 3.608 3.572 3.654 . 0 0 "[ . 1 . 2]" 1
30 1 25 ALA HA 1 28 GLU H 3.582 . 3.582 3.427 3.191 3.605 0.023 2 0 "[ . 1 . 2]" 1
31 1 25 ALA MB 1 26 LYS H 3.205 . 4.205 2.512 2.363 2.671 . 0 0 "[ . 1 . 2]" 1
32 1 26 LYS H 1 26 LYS HB2 3.154 . 4.154 2.470 2.352 2.645 . 0 0 "[ . 1 . 2]" 1
33 1 26 LYS H 1 26 LYS QD 4.465 . 5.465 3.904 3.579 4.441 . 0 0 "[ . 1 . 2]" 1
34 1 26 LYS H 1 26 LYS QG 2.602 . 2.602 2.369 1.931 2.560 . 0 0 "[ . 1 . 2]" 1
35 1 26 LYS H 1 27 GLY H 3.067 . 3.067 2.503 2.234 2.789 . 0 0 "[ . 1 . 2]" 1
36 1 26 LYS H 1 28 GLU H 5.000 . 5.000 4.234 3.973 4.419 . 0 0 "[ . 1 . 2]" 1
37 1 26 LYS HA 1 27 GLY H 4.218 . 4.218 3.562 3.540 3.581 . 0 0 "[ . 1 . 2]" 1
38 1 26 LYS HA 1 29 LYS H 3.908 . 3.908 3.375 3.232 3.535 . 0 0 "[ . 1 . 2]" 1
39 1 26 LYS HB2 1 27 GLY H 3.818 . 4.818 2.658 2.466 2.792 . 0 0 "[ . 1 . 2]" 1
40 1 27 GLY H 1 28 GLU H 3.013 . 3.013 2.926 2.831 3.015 0.002 13 0 "[ . 1 . 2]" 1
41 1 27 GLY H 1 29 LYS H 5.000 . 5.000 4.345 4.250 4.527 . 0 0 "[ . 1 . 2]" 1
42 1 27 GLY H 1 127 ASP HB2 4.597 . 5.597 3.228 2.277 5.381 . 0 0 "[ . 1 . 2]" 1
43 1 27 GLY H 1 128 VAL HA 5.239 . 5.239 4.724 4.459 5.175 . 0 0 "[ . 1 . 2]" 1
44 1 27 GLY HA2 1 28 GLU H 4.336 . 4.336 3.605 3.591 3.644 . 0 0 "[ . 1 . 2]" 1
45 1 27 GLY HA2 1 30 GLU H 5.000 . 5.000 3.652 3.415 3.848 . 0 0 "[ . 1 . 2]" 1
46 1 27 GLY HA3 1 28 GLU H 3.966 . 3.966 2.710 2.655 2.788 . 0 0 "[ . 1 . 2]" 1
47 1 27 GLY HA3 1 30 GLU H 5.000 . 5.000 4.797 4.640 4.950 . 0 0 "[ . 1 . 2]" 1
48 1 27 GLY HA3 1 31 PHE H 5.000 . 5.000 4.900 4.789 5.012 0.012 12 0 "[ . 1 . 2]" 1
49 1 27 GLY HA3 1 128 VAL H 5.000 . 5.000 4.072 3.824 4.703 . 0 0 "[ . 1 . 2]" 1
50 1 27 GLY HA3 1 131 TYR H 4.500 . 4.500 3.479 3.225 3.810 . 0 0 "[ . 1 . 2]" 1
51 1 28 GLU H 1 28 GLU HA 3.000 . 3.000 2.805 2.769 2.861 . 0 0 "[ . 1 . 2]" 1
52 1 28 GLU H 1 28 GLU QB 3.151 . 4.151 2.279 2.194 2.683 . 0 0 "[ . 1 . 2]" 1
53 1 28 GLU H 1 28 GLU QG 4.000 . 5.000 3.629 2.113 4.061 . 0 0 "[ . 1 . 2]" 1
54 1 28 GLU H 1 29 LYS H 3.056 . 3.056 2.872 2.802 2.974 . 0 0 "[ . 1 . 2]" 1
55 1 28 GLU H 1 30 GLU H 5.000 . 5.000 4.363 4.231 4.512 . 0 0 "[ . 1 . 2]" 1
56 1 28 GLU H 1 131 TYR HB2 4.500 . 4.500 2.892 2.716 3.323 . 0 0 "[ . 1 . 2]" 1
57 1 28 GLU H 1 131 TYR HB3 6.000 . 6.000 4.179 4.031 4.553 . 0 0 "[ . 1 . 2]" 1
58 1 28 GLU HA 1 29 LYS H 3.906 . 3.906 3.599 3.570 3.622 . 0 0 "[ . 1 . 2]" 1
59 1 28 GLU HA 1 31 PHE H 4.201 . 4.201 3.519 3.120 3.781 . 0 0 "[ . 1 . 2]" 1
60 1 28 GLU HA 1 131 TYR QE 4.500 . 6.500 3.335 2.978 3.934 . 0 0 "[ . 1 . 2]" 1
61 1 28 GLU QB 1 29 LYS H 4.822 . 5.822 2.520 2.366 3.627 . 0 0 "[ . 1 . 2]" 1
62 1 28 GLU QG 1 29 LYS H 4.889 . 5.889 3.747 3.027 4.246 . 0 0 "[ . 1 . 2]" 1
63 1 29 LYS H 1 29 LYS HA 3.000 . 3.000 2.863 2.803 2.928 . 0 0 "[ . 1 . 2]" 1
64 1 29 LYS H 1 29 LYS QB 2.792 . 3.792 2.479 2.370 2.665 . 0 0 "[ . 1 . 2]" 1
65 1 29 LYS H 1 29 LYS QD 4.383 . 5.383 3.577 2.675 4.279 . 0 0 "[ . 1 . 2]" 1
66 1 29 LYS H 1 29 LYS HG3 3.500 . 3.500 2.564 2.119 3.728 0.228 10 0 "[ . 1 . 2]" 1
67 1 29 LYS H 1 30 GLU H 3.050 . 3.050 2.728 2.399 2.956 . 0 0 "[ . 1 . 2]" 1
68 1 29 LYS H 1 31 PHE H 4.703 . 4.703 4.006 3.792 4.126 . 0 0 "[ . 1 . 2]" 1
69 1 29 LYS HA 1 30 GLU H 4.000 . 4.000 3.583 3.535 3.664 . 0 0 "[ . 1 . 2]" 1
70 1 29 LYS HA 1 32 ASN H 6.000 . 6.000 3.742 3.490 4.010 . 0 0 "[ . 1 . 2]" 1
71 1 29 LYS QB 1 30 GLU H 2.918 . 3.918 2.466 2.378 2.607 . 0 0 "[ . 1 . 2]" 1
72 1 30 GLU H 1 30 GLU HA 3.082 . 3.082 2.803 2.763 2.826 . 0 0 "[ . 1 . 2]" 1
73 1 30 GLU H 1 30 GLU HB2 3.077 . 3.077 2.306 2.137 2.576 . 0 0 "[ . 1 . 2]" 1
74 1 30 GLU H 1 30 GLU HB3 2.631 . 2.631 2.765 2.388 3.360 0.729 9 4 "[ . +1 - * *]" 1
75 1 30 GLU H 1 30 GLU QG 4.000 . 5.000 3.636 2.202 4.049 . 0 0 "[ . 1 . 2]" 1
76 1 30 GLU H 1 32 ASN H 4.200 . 4.200 4.234 4.188 4.279 0.079 8 0 "[ . 1 . 2]" 1
77 1 30 GLU HA 1 32 ASN H 3.992 . 3.992 3.688 3.460 3.962 . 0 0 "[ . 1 . 2]" 1
78 1 30 GLU HB2 1 31 PHE H 4.059 . 4.059 3.657 2.667 4.065 0.006 13 0 "[ . 1 . 2]" 1
79 1 31 PHE H 1 31 PHE HB2 3.000 . 3.000 2.226 2.077 2.331 . 0 0 "[ . 1 . 2]" 1
80 1 31 PHE H 1 31 PHE HB3 3.000 . 3.000 2.917 2.785 3.073 0.073 15 0 "[ . 1 . 2]" 1
81 1 31 PHE H 1 32 ASN H 3.200 . 3.200 2.906 2.841 3.014 . 0 0 "[ . 1 . 2]" 1
82 1 31 PHE HA 1 31 PHE QE 5.500 . 7.500 4.333 4.128 4.532 . 0 0 "[ . 1 . 2]" 1
83 1 31 PHE HA 1 32 ASN H 3.977 . 3.977 3.484 3.435 3.518 . 0 0 "[ . 1 . 2]" 1
84 1 31 PHE HA 1 34 CYS H 2.800 . 2.800 2.811 2.716 2.917 0.117 16 0 "[ . 1 . 2]" 1
85 1 31 PHE QD 1 35 LYS H 4.000 . 6.000 3.417 3.096 3.708 . 0 0 "[ . 1 . 2]" 1
86 1 31 PHE QD 1 58 LEU MD1 5.000 . 8.000 5.060 3.963 6.932 . 0 0 "[ . 1 . 2]" 1
87 1 31 PHE QE 1 34 CYS HB3 4.000 . 6.000 3.408 3.097 4.384 . 0 0 "[ . 1 . 2]" 1
88 1 31 PHE QE 1 35 LYS H 5.000 . 7.000 3.842 3.459 4.330 . 0 0 "[ . 1 . 2]" 1
89 1 31 PHE QE 1 35 LYS HB2 5.000 . 7.000 3.692 3.273 4.383 . 0 0 "[ . 1 . 2]" 1
90 1 31 PHE QE 1 35 LYS HB3 3.000 . 5.000 3.820 2.530 5.197 0.197 12 0 "[ . 1 . 2]" 1
91 1 31 PHE QE 1 36 THR H 5.500 . 7.500 5.941 5.478 6.438 . 0 0 "[ . 1 . 2]" 1
92 1 31 PHE QE 1 37 CYS H 6.000 . 8.000 6.113 5.417 6.768 . 0 0 "[ . 1 . 2]" 1
93 1 31 PHE QE 1 39 SER H 5.000 . 7.000 4.491 4.017 4.917 . 0 0 "[ . 1 . 2]" 1
94 1 31 PHE QE 1 40 ILE MD 3.500 . 6.500 2.805 2.359 3.554 . 0 0 "[ . 1 . 2]" 1
95 1 31 PHE QE 1 40 ILE HG13 4.500 . 6.500 3.601 2.483 4.827 . 0 0 "[ . 1 . 2]" 1
96 1 31 PHE QE 1 49 VAL MG2 2.600 . 5.600 3.371 2.236 4.049 . 0 0 "[ . 1 . 2]" 1
97 1 31 PHE QE 1 58 LEU MD1 3.500 . 6.500 3.175 2.149 5.185 . 0 0 "[ . 1 . 2]" 1
98 1 31 PHE QE 1 58 LEU MD2 5.500 . 8.500 4.148 2.167 5.672 . 0 0 "[ . 1 . 2]" 1
99 1 31 PHE QE 1 132 LEU MD1 3.000 . 6.000 3.016 2.568 3.518 . 0 0 "[ . 1 . 2]" 1
100 1 31 PHE QE 1 132 LEU MD2 3.500 . 6.500 2.409 2.246 2.764 . 0 0 "[ . 1 . 2]" 1
101 1 31 PHE QE 1 135 VAL MG1 5.000 . 8.000 5.758 5.427 6.029 . 0 0 "[ . 1 . 2]" 1
102 1 31 PHE HZ 1 38 HIS H 6.000 . 6.000 5.252 4.619 6.029 0.029 16 0 "[ . 1 . 2]" 1
103 1 31 PHE HZ 1 58 LEU MD1 4.500 . 5.500 3.003 2.179 5.054 . 0 0 "[ . 1 . 2]" 1
104 1 32 ASN H 1 32 ASN HA 3.000 . 3.000 2.834 2.803 2.880 . 0 0 "[ . 1 . 2]" 1
105 1 32 ASN H 1 32 ASN HB2 2.956 . 3.956 2.602 2.271 3.618 . 0 0 "[ . 1 . 2]" 1
106 1 32 ASN H 1 32 ASN HB3 3.001 . 4.001 2.857 2.370 3.658 . 0 0 "[ . 1 . 2]" 1
107 1 32 ASN H 1 33 LYS H 2.800 . 2.800 2.764 2.665 2.830 0.030 4 0 "[ . 1 . 2]" 1
108 1 32 ASN H 1 34 CYS H 4.500 . 4.500 4.352 4.083 4.519 0.019 4 0 "[ . 1 . 2]" 1
109 1 32 ASN HB2 1 33 LYS H 4.229 . 5.229 3.842 2.978 4.262 . 0 0 "[ . 1 . 2]" 1
110 1 32 ASN HB3 1 33 LYS H 4.090 . 5.090 3.366 2.791 4.070 . 0 0 "[ . 1 . 2]" 1
111 1 33 LYS H 1 33 LYS HA 2.984 . 2.984 2.938 2.882 2.985 0.001 16 0 "[ . 1 . 2]" 1
112 1 33 LYS H 1 33 LYS QB 3.000 . 4.000 2.414 2.342 2.511 . 0 0 "[ . 1 . 2]" 1
113 1 33 LYS H 1 33 LYS QD 3.992 . 4.992 3.987 1.922 4.404 . 0 0 "[ . 1 . 2]" 1
114 1 33 LYS H 1 33 LYS HE2 4.364 . 4.364 3.713 3.002 4.451 0.087 13 0 "[ . 1 . 2]" 1
115 1 33 LYS H 1 33 LYS HE3 4.364 . 4.364 4.037 3.413 4.445 0.081 13 0 "[ . 1 . 2]" 1
116 1 33 LYS H 1 33 LYS HG2 3.519 . 3.519 3.247 2.205 4.152 0.633 16 1 "[ . 1 .+ 2]" 1
117 1 33 LYS H 1 34 CYS H 2.800 . 2.800 2.451 2.180 2.645 . 0 0 "[ . 1 . 2]" 1
118 1 33 LYS H 1 35 LYS H 4.500 . 4.500 3.998 3.710 4.173 . 0 0 "[ . 1 . 2]" 1
119 1 33 LYS HA 1 34 CYS H 3.896 . 3.896 3.583 3.510 3.622 . 0 0 "[ . 1 . 2]" 1
120 1 33 LYS QB 1 34 CYS H 3.630 . 4.630 2.389 2.177 3.018 . 0 0 "[ . 1 . 2]" 1
121 1 34 CYS H 1 34 CYS HB2 3.914 . 3.914 2.544 2.070 2.792 . 0 0 "[ . 1 . 2]" 1
122 1 34 CYS H 1 34 CYS HB3 3.297 . 3.297 3.403 2.713 3.656 0.359 6 0 "[ . 1 . 2]" 1
123 1 34 CYS H 1 35 LYS H 3.050 . 3.050 2.852 2.309 2.971 . 0 0 "[ . 1 . 2]" 1
124 1 34 CYS H 1 36 THR H 4.500 . 4.500 4.345 3.842 4.475 . 0 0 "[ . 1 . 2]" 1
125 1 34 CYS HB3 1 35 LYS H 3.779 . 3.779 3.429 2.512 3.750 . 0 0 "[ . 1 . 2]" 1
126 1 35 LYS H 1 35 LYS HB2 3.708 . 3.708 3.080 2.247 3.606 . 0 0 "[ . 1 . 2]" 1
127 1 35 LYS H 1 35 LYS HB3 2.794 . 2.794 2.421 2.230 2.682 . 0 0 "[ . 1 . 2]" 1
128 1 35 LYS H 1 35 LYS QD 4.584 . 5.584 4.170 3.858 4.291 . 0 0 "[ . 1 . 2]" 1
129 1 35 LYS H 1 35 LYS QG 4.462 . 5.462 3.037 2.270 3.968 . 0 0 "[ . 1 . 2]" 1
130 1 35 LYS H 1 36 THR H 3.244 . 3.244 2.969 2.912 3.073 . 0 0 "[ . 1 . 2]" 1
131 1 35 LYS H 1 49 VAL MG1 6.000 . 7.000 4.289 3.861 5.674 . 0 0 "[ . 1 . 2]" 1
132 1 35 LYS HA 1 36 THR H 3.984 . 3.984 3.489 3.296 3.560 . 0 0 "[ . 1 . 2]" 1
133 1 35 LYS HA 1 37 CYS H 3.913 . 3.913 3.715 3.317 4.047 0.134 16 0 "[ . 1 . 2]" 1
134 1 35 LYS HA 1 38 HIS H 3.198 . 3.198 3.074 2.486 3.248 0.050 17 0 "[ . 1 . 2]" 1
135 1 35 LYS QG 1 36 THR H 4.500 . 5.500 3.178 2.440 4.007 . 0 0 "[ . 1 . 2]" 1
136 1 36 THR H 1 36 THR HA 3.000 . 3.000 2.823 2.683 2.862 . 0 0 "[ . 1 . 2]" 1
137 1 36 THR H 1 36 THR HB 2.819 . 2.819 2.604 2.475 2.713 . 0 0 "[ . 1 . 2]" 1
138 1 36 THR H 1 36 THR MG 4.000 . 5.000 3.749 3.629 3.785 . 0 0 "[ . 1 . 2]" 1
139 1 36 THR HA 1 37 CYS H 4.915 . 4.915 3.530 3.479 3.562 . 0 0 "[ . 1 . 2]" 1
140 1 36 THR HB 1 37 CYS H 3.551 . 3.551 2.992 2.689 3.318 . 0 0 "[ . 1 . 2]" 1
141 1 36 THR HB 1 38 HIS H 5.732 . 5.732 4.939 4.728 5.253 . 0 0 "[ . 1 . 2]" 1
142 1 36 THR MG 1 37 CYS H 4.938 . 5.938 3.909 3.424 4.065 . 0 0 "[ . 1 . 2]" 1
143 1 37 CYS H 1 37 CYS HB2 4.000 . 4.000 2.490 2.304 2.661 . 0 0 "[ . 1 . 2]" 1
144 1 37 CYS H 1 37 CYS HB3 3.558 . 3.558 3.692 3.572 3.820 0.262 9 0 "[ . 1 . 2]" 1
145 1 37 CYS H 1 38 HIS H 3.000 . 3.000 1.996 1.940 2.167 . 0 0 "[ . 1 . 2]" 1
146 1 37 CYS H 1 52 ALA MB 5.747 . 6.747 4.030 3.525 5.331 . 0 0 "[ . 1 . 2]" 1
147 1 37 CYS HA 1 53 LYS H 5.000 . 5.000 4.786 4.436 5.091 0.091 20 0 "[ . 1 . 2]" 1
148 1 37 CYS HA 1 54 THR H 4.500 . 4.500 2.866 2.456 3.191 . 0 0 "[ . 1 . 2]" 1
149 1 37 CYS HB2 1 38 HIS H 4.500 . 4.500 2.832 2.580 3.199 . 0 0 "[ . 1 . 2]" 1
150 1 37 CYS HB2 1 55 GLY H 5.000 . 5.000 4.272 4.049 4.982 . 0 0 "[ . 1 . 2]" 1
151 1 37 CYS HB3 1 38 HIS H 4.433 . 4.433 3.665 3.417 4.062 . 0 0 "[ . 1 . 2]" 1
152 1 37 CYS HB3 1 55 GLY H 4.000 . 4.000 2.858 2.579 3.419 . 0 0 "[ . 1 . 2]" 1
153 1 38 HIS H 1 38 HIS HB2 3.664 . 3.664 2.398 2.251 2.508 . 0 0 "[ . 1 . 2]" 1
154 1 38 HIS H 1 38 HIS HB3 3.638 . 3.638 3.610 3.539 3.709 0.071 16 0 "[ . 1 . 2]" 1
155 1 38 HIS H 1 38 HIS HD1 5.500 . 5.500 4.930 4.471 5.277 . 0 0 "[ . 1 . 2]" 1
156 1 38 HIS H 1 54 THR H 5.500 . 5.500 4.953 4.794 5.190 . 0 0 "[ . 1 . 2]" 1
157 1 38 HIS H 1 58 LEU MD1 5.500 . 6.500 5.285 4.472 6.442 . 0 0 "[ . 1 . 2]" 1
158 1 38 HIS HA 1 39 SER H 2.600 . 2.600 2.496 2.304 2.623 0.023 6 0 "[ . 1 . 2]" 1
159 1 38 HIS HA 1 55 GLY H 6.000 . 6.000 3.203 3.041 3.451 . 0 0 "[ . 1 . 2]" 1
160 1 38 HIS HB2 1 39 SER H 3.738 . 3.738 3.400 3.106 3.778 0.040 4 0 "[ . 1 . 2]" 1
161 1 38 HIS HB3 1 39 SER H 3.000 . 3.000 2.136 1.860 2.520 . 0 0 "[ . 1 . 2]" 1
162 1 38 HIS HD1 1 39 SER H 6.000 . 6.000 3.533 3.256 3.711 . 0 0 "[ . 1 . 2]" 1
163 1 38 HIS HD1 1 55 GLY HA2 5.500 . 5.500 4.664 4.280 5.050 . 0 0 "[ . 1 . 2]" 1
164 1 38 HIS HD1 1 58 LEU MD1 3.500 . 4.500 2.930 2.005 3.566 . 0 0 "[ . 1 . 2]" 1
165 1 38 HIS HD1 1 58 LEU MD2 5.818 . 6.818 2.780 2.316 3.460 . 0 0 "[ . 1 . 2]" 1
166 1 39 SER H 1 39 SER QB . . 3.000 2.804 2.597 2.992 . 0 0 "[ . 1 . 2]" 1
167 1 39 SER H 1 40 ILE H 6.000 . 6.000 4.365 4.277 4.451 . 0 0 "[ . 1 . 2]" 1
168 1 39 SER H 1 40 ILE HA 6.000 . 6.000 4.793 4.666 4.927 . 0 0 "[ . 1 . 2]" 1
169 1 39 SER H 1 55 GLY H 5.500 . 5.500 5.539 5.458 5.612 0.112 12 0 "[ . 1 . 2]" 1
170 1 39 SER H 1 57 ASN H 5.000 . 5.000 5.049 4.820 5.096 0.096 8 0 "[ . 1 . 2]" 1
171 1 39 SER H 1 57 ASN HA 4.532 . 4.532 2.478 2.261 2.711 . 0 0 "[ . 1 . 2]" 1
172 1 39 SER H 1 57 ASN QD 5.500 . 5.500 4.480 3.455 5.141 . 0 0 "[ . 1 . 2]" 1
173 1 39 SER H 1 58 LEU H 6.000 . 6.000 3.084 2.629 3.601 . 0 0 "[ . 1 . 2]" 1
174 1 39 SER H 1 58 LEU MD2 5.000 . 6.000 4.577 3.128 4.989 . 0 0 "[ . 1 . 2]" 1
175 1 39 SER HA 1 40 ILE H 2.738 . 2.738 2.431 2.283 2.539 . 0 0 "[ . 1 . 2]" 1
176 1 39 SER HA 1 51 GLY H 3.612 . 3.612 2.839 2.536 3.391 . 0 0 "[ . 1 . 2]" 1
177 1 39 SER HA 1 58 LEU H 6.000 . 6.000 5.111 4.774 5.795 . 0 0 "[ . 1 . 2]" 1
178 1 39 SER QB 1 40 ILE H 3.500 . 3.500 2.520 2.194 3.263 . 0 0 "[ . 1 . 2]" 1
179 1 39 SER QB 1 51 GLY H 4.020 . 4.020 2.842 2.492 3.505 . 0 0 "[ . 1 . 2]" 1
180 1 40 ILE H 1 40 ILE HB 3.940 . 3.940 2.794 2.694 2.904 . 0 0 "[ . 1 . 2]" 1
181 1 40 ILE H 1 40 ILE MD 5.127 . 6.127 4.046 2.983 4.518 . 0 0 "[ . 1 . 2]" 1
182 1 40 ILE H 1 41 ILE H 6.000 . 6.000 4.143 3.900 4.265 . 0 0 "[ . 1 . 2]" 1
183 1 40 ILE H 1 41 ILE MD 6.085 . 7.085 4.784 4.365 5.129 . 0 0 "[ . 1 . 2]" 1
184 1 40 ILE H 1 48 ILE H 5.500 . 5.500 4.625 4.035 5.510 0.010 17 0 "[ . 1 . 2]" 1
185 1 40 ILE H 1 49 VAL H 3.716 . 3.716 2.904 2.608 3.375 . 0 0 "[ . 1 . 2]" 1
186 1 40 ILE H 1 49 VAL MG1 4.941 . 5.941 3.401 2.449 4.672 . 0 0 "[ . 1 . 2]" 1
187 1 40 ILE H 1 49 VAL MG2 4.276 . 5.276 3.815 2.303 4.553 . 0 0 "[ . 1 . 2]" 1
188 1 40 ILE H 1 50 LYS H 5.500 . 5.500 4.906 3.248 5.505 0.005 1 0 "[ . 1 . 2]" 1
189 1 40 ILE H 1 51 GLY H 6.000 . 6.000 3.805 3.190 4.972 . 0 0 "[ . 1 . 2]" 1
190 1 40 ILE HA 1 41 ILE H 3.000 . 3.000 2.184 2.103 2.249 . 0 0 "[ . 1 . 2]" 1
191 1 40 ILE HA 1 58 LEU H 5.000 . 5.000 3.841 3.353 4.562 . 0 0 "[ . 1 . 2]" 1
192 1 40 ILE HA 1 59 TYR H 2.967 . 2.967 2.893 2.469 3.041 0.074 10 0 "[ . 1 . 2]" 1
193 1 40 ILE HB 1 49 VAL H 3.500 . 3.500 2.989 2.419 3.542 0.042 17 0 "[ . 1 . 2]" 1
194 1 40 ILE MD 1 131 TYR QD 5.500 . 8.500 4.019 3.334 4.802 . 0 0 "[ . 1 . 2]" 1
195 1 40 ILE MD 1 131 TYR QE 5.000 . 8.000 2.582 2.160 3.535 . 0 0 "[ . 1 . 2]" 1
196 1 40 ILE HG12 1 59 TYR QD 4.500 . 6.500 4.468 3.174 5.813 . 0 0 "[ . 1 . 2]" 1
197 1 40 ILE HG12 1 59 TYR QE 6.000 . 8.000 6.532 5.405 7.887 . 0 0 "[ . 1 . 2]" 1
198 1 40 ILE HG13 1 49 VAL H 6.000 . 6.000 5.294 4.578 5.960 . 0 0 "[ . 1 . 2]" 1
199 1 40 ILE HG13 1 58 LEU H 5.000 . 5.000 4.094 2.950 5.599 0.599 18 1 "[ . 1 . + 2]" 1
200 1 40 ILE HG13 1 59 TYR H 5.000 . 5.000 4.291 2.982 5.510 0.510 9 1 "[ . +1 . 2]" 1
201 1 40 ILE MG 1 41 ILE H 5.092 . 6.092 2.827 2.454 3.343 . 0 0 "[ . 1 . 2]" 1
202 1 40 ILE MG 1 48 ILE H 5.830 . 6.830 3.804 3.407 4.239 . 0 0 "[ . 1 . 2]" 1
203 1 40 ILE MG 1 49 VAL H 6.000 . 7.000 3.416 2.836 3.909 . 0 0 "[ . 1 . 2]" 1
204 1 40 ILE MG 1 59 TYR H 4.492 . 5.492 3.929 3.308 4.420 . 0 0 "[ . 1 . 2]" 1
205 1 40 ILE MG 1 59 TYR QE 5.000 . 8.000 3.785 2.909 4.398 . 0 0 "[ . 1 . 2]" 1
206 1 41 ILE H 1 41 ILE HB 3.826 . 3.826 2.837 2.609 3.075 . 0 0 "[ . 1 . 2]" 1
207 1 41 ILE H 1 41 ILE MD 5.350 . 6.350 4.299 3.955 4.650 . 0 0 "[ . 1 . 2]" 1
208 1 41 ILE H 1 57 ASN QD 3.742 . 3.742 2.033 1.791 2.587 . 0 0 "[ . 1 . 2]" 1
209 1 41 ILE H 1 58 LEU H 6.000 . 6.000 5.485 4.960 6.094 0.094 3 0 "[ . 1 . 2]" 1
210 1 41 ILE H 1 59 TYR H 3.666 . 3.666 3.600 3.422 3.713 0.047 10 0 "[ . 1 . 2]" 1
211 1 41 ILE H 1 59 TYR HB2 3.829 . 3.829 2.018 1.794 2.262 . 0 0 "[ . 1 . 2]" 1
212 1 41 ILE H 1 59 TYR HB3 4.314 . 4.314 2.749 2.200 3.288 . 0 0 "[ . 1 . 2]" 1
213 1 41 ILE HA 1 42 ALA H 2.600 . 2.600 2.270 2.206 2.346 . 0 0 "[ . 1 . 2]" 1
214 1 41 ILE HA 1 48 ILE H 3.249 . 3.249 2.562 2.261 2.886 . 0 0 "[ . 1 . 2]" 1
215 1 41 ILE HB 1 57 ASN QD 3.000 . 3.000 2.112 1.905 2.793 . 0 0 "[ . 1 . 2]" 1
216 1 41 ILE HB 1 59 TYR H 6.000 . 6.000 5.563 4.739 6.036 0.036 13 0 "[ . 1 . 2]" 1
217 1 41 ILE MD 1 42 ALA H 5.419 . 6.419 3.824 3.041 4.464 . 0 0 "[ . 1 . 2]" 1
218 1 41 ILE MD 1 46 THR H 5.695 . 6.695 4.842 3.638 5.428 . 0 0 "[ . 1 . 2]" 1
219 1 41 ILE MD 1 48 ILE H 5.167 . 6.167 3.885 3.524 4.547 . 0 0 "[ . 1 . 2]" 1
220 1 41 ILE MD 1 49 VAL H 5.000 . 6.000 4.789 4.728 4.938 . 0 0 "[ . 1 . 2]" 1
221 1 41 ILE MG 1 42 ALA H 3.831 . 4.831 3.687 3.290 3.916 . 0 0 "[ . 1 . 2]" 1
222 1 41 ILE MG 1 45 GLY H 4.312 . 5.312 4.091 3.751 4.229 . 0 0 "[ . 1 . 2]" 1
223 1 41 ILE MG 1 48 ILE H 6.000 . 7.000 5.260 4.957 5.563 . 0 0 "[ . 1 . 2]" 1
224 1 41 ILE MG 1 57 ASN QD . . 4.000 2.310 1.909 3.053 . 0 0 "[ . 1 . 2]" 1
225 1 41 ILE MG 1 59 TYR H 4.500 . 5.500 4.197 3.870 4.362 . 0 0 "[ . 1 . 2]" 1
226 1 42 ALA H 1 42 ALA MB 3.386 . 4.386 2.236 2.191 2.291 . 0 0 "[ . 1 . 2]" 1
227 1 42 ALA H 1 46 THR H 5.500 . 5.500 3.736 2.787 4.039 . 0 0 "[ . 1 . 2]" 1
228 1 42 ALA H 1 47 GLU HA 3.626 . 3.626 3.529 3.024 3.675 0.049 4 0 "[ . 1 . 2]" 1
229 1 42 ALA H 1 48 ILE H 4.000 . 4.000 3.356 2.767 3.837 . 0 0 "[ . 1 . 2]" 1
230 1 42 ALA H 1 48 ILE HB 5.000 . 5.000 4.634 4.141 5.017 0.017 7 0 "[ . 1 . 2]" 1
231 1 42 ALA H 1 48 ILE MD 5.902 . 6.902 3.381 2.352 3.916 . 0 0 "[ . 1 . 2]" 1
232 1 42 ALA MB 1 44 ASP H 3.728 . 4.728 2.772 2.417 2.903 . 0 0 "[ . 1 . 2]" 1
233 1 42 ALA MB 1 45 GLY H 5.000 . 6.000 3.142 2.700 3.697 . 0 0 "[ . 1 . 2]" 1
234 1 42 ALA MB 1 46 THR H 3.715 . 4.715 2.490 2.235 2.774 . 0 0 "[ . 1 . 2]" 1
235 1 42 ALA MB 1 59 TYR QE 4.000 . 7.000 4.296 2.984 5.198 . 0 0 "[ . 1 . 2]" 1
236 1 43 PRO HA 1 44 ASP H 3.532 . 3.532 3.551 3.540 3.562 0.030 3 0 "[ . 1 . 2]" 1
237 1 43 PRO HB3 1 44 ASP H 5.000 . 5.000 4.006 3.884 4.215 . 0 0 "[ . 1 . 2]" 1
238 1 43 PRO HD3 1 44 ASP H 4.240 . 4.240 4.026 3.796 4.210 . 0 0 "[ . 1 . 2]" 1
239 1 43 PRO HD3 1 59 TYR QD 4.500 . 6.500 4.185 3.540 4.764 . 0 0 "[ . 1 . 2]" 1
240 1 43 PRO HD3 1 59 TYR QE 4.000 . 6.000 2.955 2.438 3.482 . 0 0 "[ . 1 . 2]" 1
241 1 44 ASP H 1 44 ASP HA 2.942 . 2.942 2.852 2.796 2.890 . 0 0 "[ . 1 . 2]" 1
242 1 44 ASP H 1 44 ASP HB2 4.000 . 4.000 3.173 2.581 3.570 . 0 0 "[ . 1 . 2]" 1
243 1 44 ASP H 1 44 ASP HB3 4.000 . 4.000 2.924 2.240 3.540 . 0 0 "[ . 1 . 2]" 1
244 1 44 ASP H 1 45 GLY H 3.050 . 3.050 2.851 2.704 3.086 0.036 9 0 "[ . 1 . 2]" 1
245 1 44 ASP H 1 46 THR H 4.320 . 4.320 3.985 3.799 4.166 . 0 0 "[ . 1 . 2]" 1
246 1 44 ASP HA 1 45 GLY H 3.372 . 3.372 3.377 3.202 3.437 0.065 7 0 "[ . 1 . 2]" 1
247 1 44 ASP HB2 1 45 GLY H 6.000 . 6.000 4.083 3.559 4.434 . 0 0 "[ . 1 . 2]" 1
248 1 44 ASP HB2 1 46 THR H 5.000 . 5.000 3.587 2.652 4.457 . 0 0 "[ . 1 . 2]" 1
249 1 44 ASP HB3 1 45 GLY H 6.000 . 6.000 4.415 3.415 4.554 . 0 0 "[ . 1 . 2]" 1
250 1 45 GLY H 1 45 GLY HA2 3.000 . 3.000 2.325 2.274 2.376 . 0 0 "[ . 1 . 2]" 1
251 1 45 GLY H 1 45 GLY HA3 2.669 . 2.669 2.951 2.811 2.995 0.326 3 0 "[ . 1 . 2]" 1
252 1 45 GLY H 1 46 THR H 3.065 . 3.065 2.737 2.460 2.922 . 0 0 "[ . 1 . 2]" 1
253 1 45 GLY H 1 46 THR MG 6.000 . 7.000 5.849 5.434 5.913 . 0 0 "[ . 1 . 2]" 1
254 1 45 GLY HA2 1 46 THR H 3.848 . 3.848 3.427 2.888 3.532 . 0 0 "[ . 1 . 2]" 1
255 1 45 GLY HA3 1 46 THR H 3.877 . 3.877 3.296 3.151 3.520 . 0 0 "[ . 1 . 2]" 1
256 1 46 THR H 1 46 THR HA 3.024 . 3.024 2.831 2.727 2.994 . 0 0 "[ . 1 . 2]" 1
257 1 46 THR H 1 46 THR HB 3.006 . 3.006 2.646 2.497 3.029 0.023 7 0 "[ . 1 . 2]" 1
258 1 46 THR H 1 46 THR MG 4.387 . 5.387 3.734 3.410 3.820 . 0 0 "[ . 1 . 2]" 1
259 1 46 THR H 1 47 GLU H 4.500 . 4.500 4.477 4.325 4.563 0.063 17 0 "[ . 1 . 2]" 1
260 1 46 THR HA 1 47 GLU H 2.600 . 2.600 2.179 2.124 2.235 . 0 0 "[ . 1 . 2]" 1
261 1 46 THR MG 1 47 GLU H 3.715 . 4.715 3.035 2.796 3.444 . 0 0 "[ . 1 . 2]" 1
262 1 47 GLU H 1 47 GLU HB2 2.938 . 2.938 2.893 2.489 3.639 0.701 15 6 "[ * -. * 1 * + * 2]" 1
263 1 47 GLU H 1 47 GLU HG2 3.518 . 3.518 3.009 2.022 3.586 0.068 7 0 "[ . 1 . 2]" 1
264 1 47 GLU H 1 47 GLU HG3 2.997 . 2.997 2.318 2.000 3.375 0.378 13 0 "[ . 1 . 2]" 1
265 1 47 GLU H 1 48 ILE MD 5.000 . 6.000 4.681 4.026 4.872 . 0 0 "[ . 1 . 2]" 1
266 1 47 GLU HA 1 48 ILE H 2.600 . 2.600 2.252 2.126 2.409 . 0 0 "[ . 1 . 2]" 1
267 1 47 GLU HA 1 49 VAL H 3.940 . 3.940 3.783 3.448 3.973 0.033 6 0 "[ . 1 . 2]" 1
268 1 48 ILE H 1 48 ILE HA 3.047 . 3.047 2.919 2.781 3.008 . 0 0 "[ . 1 . 2]" 1
269 1 48 ILE H 1 48 ILE HB 2.888 . 2.888 2.539 2.281 2.693 . 0 0 "[ . 1 . 2]" 1
270 1 48 ILE H 1 48 ILE HG12 3.956 . 3.956 2.660 2.033 4.060 0.104 7 0 "[ . 1 . 2]" 1
271 1 48 ILE H 1 49 VAL H 3.141 . 3.141 2.457 2.006 3.063 . 0 0 "[ . 1 . 2]" 1
272 1 48 ILE HA 1 49 VAL H 3.950 . 3.950 3.599 3.570 3.652 . 0 0 "[ . 1 . 2]" 1
273 1 48 ILE HB 1 49 VAL H 2.600 . 2.600 2.489 2.326 2.670 0.070 16 0 "[ . 1 . 2]" 1
274 1 48 ILE MD 1 49 VAL H 5.021 . 6.021 4.444 3.600 4.692 . 0 0 "[ . 1 . 2]" 1
275 1 49 VAL H 1 49 VAL MG1 4.387 . 5.387 3.764 2.605 3.968 . 0 0 "[ . 1 . 2]" 1
276 1 49 VAL H 1 49 VAL MG2 4.349 . 5.349 3.012 2.691 4.095 . 0 0 "[ . 1 . 2]" 1
277 1 49 VAL H 1 50 LYS H 5.000 . 5.000 3.765 2.324 4.324 . 0 0 "[ . 1 . 2]" 1
278 1 49 VAL MG1 1 50 LYS H 4.000 . 5.000 3.397 2.665 4.292 . 0 0 "[ . 1 . 2]" 1
279 1 49 VAL MG2 1 50 LYS H 4.000 . 5.000 4.054 3.227 4.201 . 0 0 "[ . 1 . 2]" 1
280 1 49 VAL MG2 1 51 GLY H 5.149 . 6.149 4.973 3.177 5.672 . 0 0 "[ . 1 . 2]" 1
281 1 50 LYS H 1 50 LYS HB2 3.641 . 3.641 2.895 2.445 3.619 . 0 0 "[ . 1 . 2]" 1
282 1 50 LYS H 1 50 LYS HB3 3.024 . 3.024 2.875 2.401 3.667 0.643 16 5 "[* -. 1 * .+* 2]" 1
283 1 50 LYS H 1 51 GLY H 6.000 . 6.000 3.703 2.763 4.353 . 0 0 "[ . 1 . 2]" 1
284 1 50 LYS HA 1 51 GLY H 2.600 . 2.600 2.432 2.168 2.615 0.015 17 0 "[ . 1 . 2]" 1
285 1 50 LYS HB2 1 51 GLY H 4.500 . 4.500 4.500 4.270 4.647 0.147 7 0 "[ . 1 . 2]" 1
286 1 50 LYS HB3 1 51 GLY H 5.000 . 5.000 4.464 4.107 4.651 . 0 0 "[ . 1 . 2]" 1
287 1 51 GLY H 1 52 ALA H 4.500 . 4.500 4.341 3.978 4.519 0.019 5 0 "[ . 1 . 2]" 1
288 1 51 GLY HA2 1 52 ALA H 2.600 . 2.600 2.736 2.539 2.910 0.310 15 0 "[ . 1 . 2]" 1
289 1 51 GLY HA3 1 52 ALA H 2.823 . 2.823 2.438 2.234 2.611 . 0 0 "[ . 1 . 2]" 1
290 1 52 ALA H 1 52 ALA MB 3.391 . 4.391 2.285 2.233 2.351 . 0 0 "[ . 1 . 2]" 1
291 1 52 ALA H 1 53 LYS H 5.000 . 5.000 4.272 3.263 4.641 . 0 0 "[ . 1 . 2]" 1
292 1 52 ALA HA 1 53 LYS H 2.600 . 2.600 2.534 2.375 2.648 0.048 16 0 "[ . 1 . 2]" 1
293 1 53 LYS H 1 54 THR H 3.500 . 3.500 2.798 2.312 3.679 0.179 9 0 "[ . 1 . 2]" 1
294 1 53 LYS H 1 55 GLY H 6.000 . 6.000 4.782 4.456 5.273 . 0 0 "[ . 1 . 2]" 1
295 1 53 LYS HA 1 54 THR H 3.304 . 3.304 2.755 2.301 3.005 . 0 0 "[ . 1 . 2]" 1
296 1 53 LYS HA 1 55 GLY H 4.408 . 4.408 3.311 2.974 3.581 . 0 0 "[ . 1 . 2]" 1
297 1 54 THR H 1 54 THR HA 2.954 . 2.954 2.921 2.869 2.980 0.026 9 0 "[ . 1 . 2]" 1
298 1 54 THR H 1 54 THR HB 2.896 . 2.896 2.699 2.530 2.907 0.011 16 0 "[ . 1 . 2]" 1
299 1 54 THR H 1 55 GLY H 3.050 . 3.050 2.268 2.129 2.430 . 0 0 "[ . 1 . 2]" 1
300 1 54 THR H 1 55 GLY HA2 6.000 . 6.000 5.021 4.918 5.151 . 0 0 "[ . 1 . 2]" 1
301 1 54 THR HA 1 55 GLY H 4.182 . 4.182 3.542 3.504 3.582 . 0 0 "[ . 1 . 2]" 1
302 1 54 THR HB 1 55 GLY H 3.001 . 3.001 2.819 2.586 3.035 0.034 9 0 "[ . 1 . 2]" 1
303 1 54 THR MG 1 55 GLY H 5.601 . 6.601 3.998 3.804 4.226 . 0 0 "[ . 1 . 2]" 1
304 1 55 GLY H 1 72 PHE HZ 5.000 . 5.000 5.026 4.944 5.061 0.061 3 0 "[ . 1 . 2]" 1
305 1 55 GLY HA2 1 72 PHE HZ 4.500 . 4.500 2.745 2.665 2.797 . 0 0 "[ . 1 . 2]" 1
306 1 55 GLY HA3 1 72 PHE HZ 5.000 . 5.000 4.497 4.417 4.527 . 0 0 "[ . 1 . 2]" 1
307 1 56 PRO HA 1 57 ASN H 2.600 . 2.600 2.470 2.202 2.645 0.045 12 0 "[ . 1 . 2]" 1
308 1 56 PRO QB 1 57 ASN H 4.560 . 5.560 2.590 2.203 3.417 . 0 0 "[ . 1 . 2]" 1
309 1 56 PRO QB 1 69 TYR H 6.000 . 7.000 4.269 3.969 4.656 . 0 0 "[ . 1 . 2]" 1
310 1 56 PRO QB 1 69 TYR QD 4.000 . 7.000 3.505 2.697 4.069 . 0 0 "[ . 1 . 2]" 1
311 1 57 ASN H 1 57 ASN HB2 3.157 . 3.157 2.669 2.113 2.895 . 0 0 "[ . 1 . 2]" 1
312 1 57 ASN H 1 57 ASN HB3 2.779 . 2.779 2.508 2.235 3.234 0.455 2 0 "[ . 1 . 2]" 1
313 1 57 ASN H 1 58 LEU H 4.363 . 4.363 4.326 3.800 4.505 0.142 18 0 "[ . 1 . 2]" 1
314 1 57 ASN HA 1 58 LEU H 2.600 . 2.600 2.251 2.133 2.426 . 0 0 "[ . 1 . 2]" 1
315 1 57 ASN HA 1 59 TYR H 4.000 . 4.000 3.899 3.693 4.026 0.026 18 0 "[ . 1 . 2]" 1
316 1 57 ASN HB3 1 69 TYR QE 5.000 . 7.000 2.568 2.266 3.392 . 0 0 "[ . 1 . 2]" 1
317 1 57 ASN QD 1 59 TYR HB2 5.000 . 5.000 3.303 2.119 4.075 . 0 0 "[ . 1 . 2]" 1
318 1 57 ASN QD 1 59 TYR HB3 4.000 . 4.000 3.341 2.024 4.469 0.469 4 0 "[ . 1 . 2]" 1
319 1 57 ASN QD 1 59 TYR QD 5.000 . 7.000 4.567 3.448 5.169 . 0 0 "[ . 1 . 2]" 1
320 1 57 ASN QD 1 69 TYR QE 5.000 . 7.000 4.160 2.664 5.342 . 0 0 "[ . 1 . 2]" 1
321 1 58 LEU H 1 58 LEU HA 3.000 . 3.000 2.870 2.537 2.997 . 0 0 "[ . 1 . 2]" 1
322 1 58 LEU H 1 58 LEU HB2 4.223 . 4.223 2.442 2.017 2.595 . 0 0 "[ . 1 . 2]" 1
323 1 58 LEU H 1 58 LEU MD1 5.000 . 6.000 3.302 1.922 3.941 . 0 0 "[ . 1 . 2]" 1
324 1 58 LEU H 1 58 LEU MD2 3.256 . 4.256 3.244 1.768 3.542 . 0 0 "[ . 1 . 2]" 1
325 1 58 LEU H 1 58 LEU HG 3.137 . 3.137 2.798 2.308 3.539 0.402 13 0 "[ . 1 . 2]" 1
326 1 58 LEU H 1 59 TYR H 3.450 . 3.450 2.941 2.651 3.489 0.039 8 0 "[ . 1 . 2]" 1
327 1 58 LEU HA 1 59 TYR H 4.096 . 4.096 3.286 3.165 3.438 . 0 0 "[ . 1 . 2]" 1
328 1 58 LEU MD1 1 59 TYR H 6.000 . 7.000 5.169 4.378 5.602 . 0 0 "[ . 1 . 2]" 1
329 1 58 LEU MD2 1 59 TYR H 5.500 . 6.500 4.875 4.330 5.650 . 0 0 "[ . 1 . 2]" 1
330 1 58 LEU MD2 1 61 VAL H 4.000 . 6.000 4.853 4.259 5.996 . 0 0 "[ . 1 . 2]" 1
331 1 58 LEU MD2 1 88 TRP HE1 6.000 . 7.000 5.971 4.975 7.919 0.919 3 1 "[ + . 1 . 2]" 1
332 1 59 TYR H 1 59 TYR HB2 2.826 . 2.826 2.583 2.411 2.745 . 0 0 "[ . 1 . 2]" 1
333 1 59 TYR H 1 59 TYR HB3 2.997 . 2.997 2.488 2.350 2.606 . 0 0 "[ . 1 . 2]" 1
334 1 59 TYR H 1 59 TYR QD 4.000 . 6.000 4.226 4.141 4.341 . 0 0 "[ . 1 . 2]" 1
335 1 59 TYR H 1 60 GLY H 5.000 . 5.000 4.192 3.917 4.562 . 0 0 "[ . 1 . 2]" 1
336 1 59 TYR HA 1 60 GLY H 2.600 . 2.600 2.267 2.168 2.364 . 0 0 "[ . 1 . 2]" 1
337 1 59 TYR HA 1 61 VAL H 4.553 . 4.553 4.071 3.669 4.582 0.029 13 0 "[ . 1 . 2]" 1
338 1 59 TYR QD 1 60 GLY H 4.000 . 6.000 4.245 3.774 4.608 . 0 0 "[ . 1 . 2]" 1
339 1 59 TYR QD 1 69 TYR QD 4.500 . 8.500 6.217 6.006 6.419 . 0 0 "[ . 1 . 2]" 1
340 1 59 TYR QD 1 69 TYR QE 4.000 . 8.000 4.222 3.945 4.460 . 0 0 "[ . 1 . 2]" 1
341 1 59 TYR QD 1 135 VAL MG1 5.000 . 8.000 2.398 2.070 4.335 . 0 0 "[ . 1 . 2]" 1
342 1 59 TYR QD 1 135 VAL MG2 4.000 . 7.000 4.326 4.092 4.934 . 0 0 "[ . 1 . 2]" 1
343 1 59 TYR QD 1 137 LYS QE 4.500 . 7.500 5.461 4.629 6.139 . 0 0 "[ . 1 . 2]" 1
344 1 59 TYR QE 1 69 TYR QD 6.000 . 10.000 7.794 7.333 8.007 . 0 0 "[ . 1 . 2]" 1
345 1 59 TYR QE 1 135 VAL MG1 5.000 . 8.000 2.879 2.139 5.116 . 0 0 "[ . 1 . 2]" 1
346 1 59 TYR QE 1 135 VAL MG2 4.000 . 7.000 4.646 4.168 5.289 . 0 0 "[ . 1 . 2]" 1
347 1 59 TYR QE 1 136 VAL HA 3.500 . 5.500 3.487 2.668 4.812 . 0 0 "[ . 1 . 2]" 1
348 1 59 TYR QE 1 136 VAL MG1 4.500 . 7.500 5.116 4.031 5.897 . 0 0 "[ . 1 . 2]" 1
349 1 59 TYR QE 1 137 LYS H 5.000 . 7.000 2.964 2.300 4.106 . 0 0 "[ . 1 . 2]" 1
350 1 59 TYR QE 1 137 LYS QE 4.000 . 7.000 3.860 2.918 4.295 . 0 0 "[ . 1 . 2]" 1
351 1 60 GLY H 1 60 GLY HA2 3.000 . 3.000 2.380 2.280 2.515 . 0 0 "[ . 1 . 2]" 1
352 1 60 GLY H 1 60 GLY HA3 2.695 . 2.695 2.966 2.810 3.020 0.325 6 0 "[ . 1 . 2]" 1
353 1 60 GLY H 1 61 VAL HB 5.000 . 5.000 4.620 4.018 5.018 0.018 14 0 "[ . 1 . 2]" 1
354 1 60 GLY H 1 136 VAL MG2 4.209 . 5.209 3.524 2.246 4.208 . 0 0 "[ . 1 . 2]" 1
355 1 60 GLY HA2 1 61 VAL H 3.858 . 3.858 3.027 2.681 3.287 . 0 0 "[ . 1 . 2]" 1
356 1 60 GLY HA3 1 61 VAL H 3.791 . 3.791 3.584 3.489 3.647 . 0 0 "[ . 1 . 2]" 1
357 1 61 VAL H 1 61 VAL HB 2.896 . 2.896 2.478 2.129 2.736 . 0 0 "[ . 1 . 2]" 1
358 1 61 VAL H 1 61 VAL MG1 3.500 . 4.500 2.845 2.057 3.814 . 0 0 "[ . 1 . 2]" 1
359 1 61 VAL H 1 62 VAL H 3.089 . 3.089 2.688 2.455 2.913 . 0 0 "[ . 1 . 2]" 1
360 1 61 VAL HA 1 62 VAL H 4.539 . 4.539 3.554 3.500 3.635 . 0 0 "[ . 1 . 2]" 1
361 1 61 VAL HA 1 64 ARG H 3.738 . 3.738 3.712 3.511 3.813 0.075 10 0 "[ . 1 . 2]" 1
362 1 61 VAL MG1 1 63 GLY H 4.500 . 5.500 4.548 4.191 5.160 . 0 0 "[ . 1 . 2]" 1
363 1 61 VAL MG1 1 89 THR H 6.000 . 7.000 5.785 4.760 6.853 . 0 0 "[ . 1 . 2]" 1
364 1 61 VAL MG2 1 88 TRP HE1 5.721 . 6.721 3.948 3.304 5.006 . 0 0 "[ . 1 . 2]" 1
365 1 62 VAL H 1 62 VAL HB 2.600 . 2.600 2.495 2.345 2.612 0.012 18 0 "[ . 1 . 2]" 1
366 1 62 VAL H 1 62 VAL MG1 3.706 . 4.706 3.694 2.351 3.800 . 0 0 "[ . 1 . 2]" 1
367 1 62 VAL H 1 62 VAL MG2 4.000 . 5.000 2.165 1.908 3.760 . 0 0 "[ . 1 . 2]" 1
368 1 62 VAL H 1 63 GLY H 4.500 . 4.500 4.420 4.198 4.516 0.016 13 0 "[ . 1 . 2]" 1
369 1 62 VAL H 1 64 ARG H 5.000 . 5.000 4.360 4.268 4.459 . 0 0 "[ . 1 . 2]" 1
370 1 62 VAL H 1 88 TRP HD1 6.500 . 6.500 6.386 6.116 6.538 0.038 3 0 "[ . 1 . 2]" 1
371 1 62 VAL H 1 93 ILE MD 5.236 . 6.236 3.663 3.213 4.724 . 0 0 "[ . 1 . 2]" 1
372 1 62 VAL H 1 132 LEU MD2 5.000 . 6.000 4.626 4.149 5.534 . 0 0 "[ . 1 . 2]" 1
373 1 62 VAL H 1 133 ALA H 6.000 . 6.000 5.885 5.297 6.052 0.052 16 0 "[ . 1 . 2]" 1
374 1 62 VAL HA 1 63 GLY H 2.600 . 2.600 2.108 2.028 2.173 . 0 0 "[ . 1 . 2]" 1
375 1 62 VAL HA 1 64 ARG H 3.581 . 3.581 3.581 3.469 3.660 0.079 18 0 "[ . 1 . 2]" 1
376 1 62 VAL HA 1 88 TRP H 5.306 . 5.306 5.076 4.623 5.331 0.025 15 0 "[ . 1 . 2]" 1
377 1 62 VAL MG1 1 63 GLY H 3.787 . 4.787 3.120 2.815 3.978 . 0 0 "[ . 1 . 2]" 1
378 1 62 VAL MG1 1 64 ARG H 5.006 . 6.006 4.732 4.577 4.932 . 0 0 "[ . 1 . 2]" 1
379 1 62 VAL MG1 1 90 GLU H 4.428 . 5.428 3.173 2.525 4.516 . 0 0 "[ . 1 . 2]" 1
380 1 62 VAL MG1 1 133 ALA H 4.500 . 5.500 4.517 3.787 5.413 . 0 0 "[ . 1 . 2]" 1
381 1 62 VAL MG2 1 63 GLY H 4.470 . 5.470 4.002 2.833 4.205 . 0 0 "[ . 1 . 2]" 1
382 1 62 VAL MG2 1 90 GLU H 4.930 . 5.930 3.891 2.251 4.779 . 0 0 "[ . 1 . 2]" 1
383 1 63 GLY H 1 63 GLY HA2 2.954 . 2.954 2.364 2.318 2.483 . 0 0 "[ . 1 . 2]" 1
384 1 63 GLY H 1 63 GLY HA3 3.047 . 3.047 2.971 2.946 2.996 . 0 0 "[ . 1 . 2]" 1
385 1 63 GLY H 1 64 ARG H 4.000 . 4.000 2.599 2.252 2.780 . 0 0 "[ . 1 . 2]" 1
386 1 63 GLY H 1 88 TRP H 6.000 . 6.000 3.722 3.490 3.958 . 0 0 "[ . 1 . 2]" 1
387 1 63 GLY H 1 88 TRP HB2 5.000 . 5.000 2.996 2.719 3.313 . 0 0 "[ . 1 . 2]" 1
388 1 63 GLY H 1 88 TRP HB3 5.000 . 5.000 3.580 3.289 3.939 . 0 0 "[ . 1 . 2]" 1
389 1 63 GLY HA2 1 64 ARG H 3.283 . 3.283 3.461 3.359 3.520 0.237 16 0 "[ . 1 . 2]" 1
390 1 63 GLY HA3 1 64 ARG H 3.500 . 3.500 3.234 3.073 3.302 . 0 0 "[ . 1 . 2]" 1
391 1 64 ARG H 1 64 ARG HB2 2.992 . 2.992 2.454 2.198 2.804 . 0 0 "[ . 1 . 2]" 1
392 1 64 ARG H 1 64 ARG HB3 2.938 . 2.938 2.641 2.406 2.988 0.050 10 0 "[ . 1 . 2]" 1
393 1 64 ARG H 1 65 THR H 5.000 . 5.000 4.631 4.591 4.666 . 0 0 "[ . 1 . 2]" 1
394 1 64 ARG H 1 88 TRP H 5.038 . 5.038 3.766 3.589 4.005 . 0 0 "[ . 1 . 2]" 1
395 1 64 ARG H 1 88 TRP HB2 5.000 . 5.000 3.109 2.836 3.515 . 0 0 "[ . 1 . 2]" 1
396 1 64 ARG H 1 88 TRP HD1 5.000 . 5.000 4.347 3.947 4.810 . 0 0 "[ . 1 . 2]" 1
397 1 64 ARG HA 1 65 THR H 2.600 . 2.600 2.240 2.179 2.326 . 0 0 "[ . 1 . 2]" 1
398 1 64 ARG HB2 1 65 THR H 4.500 . 4.500 4.246 3.982 4.431 . 0 0 "[ . 1 . 2]" 1
399 1 64 ARG HB3 1 69 TYR QE 5.000 . 7.000 5.457 3.717 6.420 . 0 0 "[ . 1 . 2]" 1
400 1 64 ARG QG 1 65 THR H 4.000 . 5.000 2.592 2.285 2.845 . 0 0 "[ . 1 . 2]" 1
401 1 65 THR H 1 65 THR HB 2.657 . 2.657 2.555 2.398 2.661 0.004 13 0 "[ . 1 . 2]" 1
402 1 65 THR H 1 66 ALA H 5.083 . 5.083 4.227 3.651 4.661 . 0 0 "[ . 1 . 2]" 1
403 1 65 THR H 1 87 ALA MB 5.298 . 6.298 4.499 4.014 5.022 . 0 0 "[ . 1 . 2]" 1
404 1 65 THR H 1 88 TRP H 6.000 . 6.000 4.835 4.704 4.952 . 0 0 "[ . 1 . 2]" 1
405 1 65 THR HA 1 66 ALA H 2.643 . 2.643 2.359 2.204 2.514 . 0 0 "[ . 1 . 2]" 1
406 1 65 THR HA 1 88 TRP H 3.700 . 3.700 3.584 3.247 3.758 0.058 15 0 "[ . 1 . 2]" 1
407 1 65 THR MG 1 66 ALA H 3.938 . 4.938 3.355 2.615 4.058 . 0 0 "[ . 1 . 2]" 1
408 1 65 THR MG 1 82 GLY H 4.500 . 5.500 4.461 4.382 4.529 . 0 0 "[ . 1 . 2]" 1
409 1 65 THR MG 1 83 ALA H 6.085 . 7.085 4.073 3.799 4.588 . 0 0 "[ . 1 . 2]" 1
410 1 65 THR MG 1 85 GLY H 4.251 . 5.251 3.669 3.266 4.029 . 0 0 "[ . 1 . 2]" 1
411 1 65 THR MG 1 86 PHE H 5.000 . 6.000 3.334 2.600 3.988 . 0 0 "[ . 1 . 2]" 1
412 1 66 ALA H 1 66 ALA MB 3.448 . 4.448 2.555 2.187 3.005 . 0 0 "[ . 1 . 2]" 1
413 1 66 ALA H 1 82 GLY HA2 4.500 . 4.500 3.602 2.547 4.533 0.033 1 0 "[ . 1 . 2]" 1
414 1 66 ALA H 1 86 PHE QD 4.000 . 6.000 3.370 2.365 4.414 . 0 0 "[ . 1 . 2]" 1
415 1 66 ALA H 1 87 ALA HA 3.500 . 3.500 3.091 2.426 3.524 0.024 16 0 "[ . 1 . 2]" 1
416 1 66 ALA H 1 87 ALA MB 5.500 . 6.500 4.583 3.875 4.936 . 0 0 "[ . 1 . 2]" 1
417 1 66 ALA H 1 88 TRP H 5.000 . 5.000 3.206 2.572 4.098 . 0 0 "[ . 1 . 2]" 1
418 1 66 ALA H 1 88 TRP HE1 5.500 . 5.500 4.513 4.219 5.030 . 0 0 "[ . 1 . 2]" 1
419 1 66 ALA HA 1 67 GLY H 3.015 . 3.015 2.659 2.181 3.126 0.111 1 0 "[ . 1 . 2]" 1
420 1 66 ALA HA 1 88 TRP HE1 2.954 . 2.954 2.502 2.245 2.884 . 0 0 "[ . 1 . 2]" 1
421 1 66 ALA MB 1 67 GLY H 4.268 . 5.268 2.301 1.835 2.986 . 0 0 "[ . 1 . 2]" 1
422 1 66 ALA MB 1 82 GLY H 3.806 . 4.806 2.771 2.210 3.600 . 0 0 "[ . 1 . 2]" 1
423 1 66 ALA MB 1 86 PHE H 5.000 . 6.000 4.428 3.757 4.842 . 0 0 "[ . 1 . 2]" 1
424 1 66 ALA MB 1 88 TRP HE1 4.470 . 5.470 3.143 2.351 4.035 . 0 0 "[ . 1 . 2]" 1
425 1 67 GLY H 1 68 THR H 5.000 . 5.000 3.382 2.747 4.020 . 0 0 "[ . 1 . 2]" 1
426 1 67 GLY H 1 68 THR MG 5.000 . 6.000 4.329 3.774 4.823 . 0 0 "[ . 1 . 2]" 1
427 1 67 GLY H 1 79 VAL MG1 6.000 . 7.000 6.105 5.471 7.132 0.132 14 0 "[ . 1 . 2]" 1
428 1 67 GLY H 1 88 TRP HE1 3.926 . 3.926 3.520 2.976 3.975 0.049 11 0 "[ . 1 . 2]" 1
429 1 67 GLY H 1 88 TRP HZ2 5.000 . 5.000 4.955 4.373 5.080 0.080 1 0 "[ . 1 . 2]" 1
430 1 67 GLY HA3 1 88 TRP HE1 6.000 . 6.000 5.316 4.368 6.064 0.064 7 0 "[ . 1 . 2]" 1
431 1 68 THR H 1 69 TYR H 4.000 . 4.000 2.273 1.944 2.663 . 0 0 "[ . 1 . 2]" 1
432 1 68 THR H 1 74 TYR HH 6.000 . 6.000 3.830 2.675 4.366 . 0 0 "[ . 1 . 2]" 1
433 1 68 THR HB 1 69 TYR H 5.000 . 5.000 4.522 4.384 4.766 . 0 0 "[ . 1 . 2]" 1
434 1 69 TYR H 1 69 TYR HB2 3.380 . 3.380 2.408 2.222 2.709 . 0 0 "[ . 1 . 2]" 1
435 1 69 TYR H 1 69 TYR HB3 3.180 . 3.180 2.753 2.605 2.925 . 0 0 "[ . 1 . 2]" 1
436 1 69 TYR H 1 74 TYR HE1 4.500 . 4.500 3.896 2.307 4.387 . 0 0 "[ . 1 . 2]" 1
437 1 69 TYR H 1 74 TYR HE2 4.500 . 4.500 3.163 2.142 4.379 . 0 0 "[ . 1 . 2]" 1
438 1 69 TYR H 1 74 TYR HH 5.000 . 5.000 2.340 2.078 2.597 . 0 0 "[ . 1 . 2]" 1
439 1 69 TYR QD 1 70 PRO HA 4.000 . 6.000 4.771 4.557 4.968 . 0 0 "[ . 1 . 2]" 1
440 1 69 TYR QD 1 72 PHE QB 4.000 . 7.000 4.185 3.396 5.005 . 0 0 "[ . 1 . 2]" 1
441 1 69 TYR QE 1 70 PRO HD3 4.500 . 6.500 4.880 4.475 5.395 . 0 0 "[ . 1 . 2]" 1
442 1 70 PRO HA 1 71 GLU H 2.600 . 2.600 2.312 2.215 2.454 . 0 0 "[ . 1 . 2]" 1
443 1 70 PRO HA 1 72 PHE H 5.000 . 5.000 4.074 3.665 4.396 . 0 0 "[ . 1 . 2]" 1
444 1 70 PRO HB2 1 71 GLU H 4.500 . 4.500 3.054 2.503 3.610 . 0 0 "[ . 1 . 2]" 1
445 1 70 PRO HB3 1 71 GLU H 2.826 . 2.826 3.057 2.406 3.609 0.783 1 9 "[+ ** **-* . **]" 1
446 1 71 GLU H 1 71 GLU HA 2.600 . 2.600 2.267 2.242 2.310 . 0 0 "[ . 1 . 2]" 1
447 1 71 GLU H 1 71 GLU QG 3.508 . 4.508 2.900 2.471 4.035 . 0 0 "[ . 1 . 2]" 1
448 1 71 GLU H 1 72 PHE H 3.209 . 3.209 3.124 2.888 3.256 0.047 3 0 "[ . 1 . 2]" 1
449 1 71 GLU HA 1 72 PHE H 3.146 . 3.146 2.591 2.475 2.775 . 0 0 "[ . 1 . 2]" 1
450 1 71 GLU HA 1 73 LYS H 5.500 . 5.500 5.526 5.470 5.581 0.081 14 0 "[ . 1 . 2]" 1
451 1 71 GLU QB 1 72 PHE H 5.037 . 6.037 4.000 3.967 4.122 . 0 0 "[ . 1 . 2]" 1
452 1 71 GLU QG 1 72 PHE H 5.169 . 6.169 4.672 4.146 4.998 . 0 0 "[ . 1 . 2]" 1
453 1 72 PHE H 1 72 PHE HA 2.899 . 2.899 2.869 2.836 2.912 0.013 17 0 "[ . 1 . 2]" 1
454 1 72 PHE H 1 72 PHE QB 2.977 . 3.977 2.896 2.805 2.969 . 0 0 "[ . 1 . 2]" 1
455 1 72 PHE H 1 73 LYS H 3.896 . 3.896 3.954 3.926 3.980 0.084 3 0 "[ . 1 . 2]" 1
456 1 72 PHE HA 1 73 LYS H 2.600 . 2.600 2.114 2.088 2.163 . 0 0 "[ . 1 . 2]" 1
457 1 72 PHE QB 1 73 LYS H 4.730 . 5.730 3.809 3.741 3.926 . 0 0 "[ . 1 . 2]" 1
458 1 72 PHE HZ 1 74 TYR HA 5.000 . 5.000 4.928 4.382 5.051 0.051 3 0 "[ . 1 . 2]" 1
459 1 73 LYS H 1 73 LYS HA 3.062 . 3.062 2.908 2.881 2.937 . 0 0 "[ . 1 . 2]" 1
460 1 73 LYS H 1 73 LYS HB2 2.600 . 2.600 2.607 2.395 2.761 0.161 14 0 "[ . 1 . 2]" 1
461 1 73 LYS H 1 73 LYS QG 4.000 . 5.000 3.993 3.965 4.028 . 0 0 "[ . 1 . 2]" 1
462 1 73 LYS H 1 74 TYR H 4.500 . 4.500 4.080 3.917 4.380 . 0 0 "[ . 1 . 2]" 1
463 1 73 LYS HA 1 74 TYR H 2.600 . 2.600 2.303 2.209 2.415 . 0 0 "[ . 1 . 2]" 1
464 1 74 TYR H 1 74 TYR HA 6.000 2.800 6.000 2.898 2.841 2.965 . 0 0 "[ . 1 . 2]" 1
465 1 74 TYR H 1 74 TYR HD1 5.000 . 5.000 4.091 2.212 4.722 . 0 0 "[ . 1 . 2]" 1
466 1 74 TYR H 1 78 ILE MG 5.000 . 6.000 4.966 4.784 5.077 . 0 0 "[ . 1 . 2]" 1
467 1 74 TYR HA 1 75 LYS H 2.600 . 2.600 2.579 2.407 2.634 0.034 11 0 "[ . 1 . 2]" 1
468 1 74 TYR HB2 1 75 LYS H 6.000 . 6.000 3.112 2.884 3.617 . 0 0 "[ . 1 . 2]" 1
469 1 74 TYR HB3 1 75 LYS H 2.800 . 2.800 1.991 1.817 2.456 . 0 0 "[ . 1 . 2]" 1
470 1 75 LYS H 1 75 LYS HA 3.000 . 3.000 2.980 2.964 2.991 . 0 0 "[ . 1 . 2]" 1
471 1 75 LYS H 1 75 LYS HB2 3.836 . 3.836 2.747 2.431 3.037 . 0 0 "[ . 1 . 2]" 1
472 1 75 LYS H 1 75 LYS HB3 4.000 . 4.000 3.751 3.632 3.868 . 0 0 "[ . 1 . 2]" 1
473 1 75 LYS H 1 75 LYS HG2 3.719 . 3.719 3.016 2.222 4.010 0.291 18 0 "[ . 1 . 2]" 1
474 1 75 LYS H 1 75 LYS HG3 4.022 . 4.022 3.209 2.402 4.003 . 0 0 "[ . 1 . 2]" 1
475 1 75 LYS H 1 78 ILE MG 4.492 . 5.492 2.222 1.995 2.486 . 0 0 "[ . 1 . 2]" 1
476 1 75 LYS H 1 79 VAL MG1 5.736 . 6.736 5.921 5.648 6.367 . 0 0 "[ . 1 . 2]" 1
477 1 75 LYS HA 1 76 ASP H 2.600 . 2.600 2.411 2.266 2.572 . 0 0 "[ . 1 . 2]" 1
478 1 75 LYS HA 1 77 SER H 4.500 . 4.500 4.439 4.187 4.567 0.067 16 0 "[ . 1 . 2]" 1
479 1 75 LYS HB2 1 76 ASP H 2.829 . 2.829 3.160 2.896 3.608 0.779 18 7 "[ . ** * *+*-]" 1
480 1 75 LYS HB2 1 116 GLY H 5.500 . 5.500 4.712 3.536 5.307 . 0 0 "[ . 1 . 2]" 1
481 1 75 LYS HB3 1 76 ASP H 3.568 . 3.568 2.358 2.060 2.703 . 0 0 "[ . 1 . 2]" 1
482 1 76 ASP H 1 76 ASP HA 2.860 . 2.860 2.813 2.740 2.882 0.022 2 0 "[ . 1 . 2]" 1
483 1 76 ASP H 1 76 ASP QB 3.174 . 4.174 2.350 2.202 2.683 . 0 0 "[ . 1 . 2]" 1
484 1 76 ASP H 1 77 SER H 3.000 . 3.000 2.839 2.646 3.028 0.028 10 0 "[ . 1 . 2]" 1
485 1 76 ASP HA 1 77 SER H 3.686 . 3.686 3.580 3.541 3.611 . 0 0 "[ . 1 . 2]" 1
486 1 76 ASP HA 1 79 VAL H 3.995 . 3.995 3.896 3.766 4.066 0.071 16 0 "[ . 1 . 2]" 1
487 1 76 ASP QB 1 77 SER H 3.000 . 3.000 2.875 2.639 2.981 . 0 0 "[ . 1 . 2]" 1
488 1 77 SER H 1 77 SER HB2 3.956 . 3.956 3.221 2.472 3.413 . 0 0 "[ . 1 . 2]" 1
489 1 77 SER H 1 77 SER HB3 3.521 . 3.521 2.741 2.446 3.537 0.016 10 0 "[ . 1 . 2]" 1
490 1 77 SER H 1 78 ILE H 3.000 . 3.000 2.636 2.525 2.739 . 0 0 "[ . 1 . 2]" 1
491 1 77 SER H 1 78 ILE HB 4.500 . 4.500 4.635 4.576 4.695 0.195 20 0 "[ . 1 . 2]" 1
492 1 77 SER H 1 80 ALA H 5.000 . 5.000 4.493 4.417 4.616 . 0 0 "[ . 1 . 2]" 1
493 1 77 SER H 1 80 ALA MB 5.000 . 6.000 4.675 4.459 4.812 . 0 0 "[ . 1 . 2]" 1
494 1 77 SER H 1 113 ALA HA 6.000 . 6.000 4.831 4.229 5.143 . 0 0 "[ . 1 . 2]" 1
495 1 77 SER H 1 114 LYS H 5.000 . 5.000 4.801 3.941 5.058 0.058 17 0 "[ . 1 . 2]" 1
496 1 77 SER HA 1 78 ILE H 4.864 . 4.864 3.518 3.483 3.595 . 0 0 "[ . 1 . 2]" 1
497 1 77 SER HA 1 80 ALA H 3.697 . 3.697 3.674 3.262 3.755 0.058 6 0 "[ . 1 . 2]" 1
498 1 77 SER HB2 1 78 ILE H 4.500 . 4.500 2.763 2.226 3.917 . 0 0 "[ . 1 . 2]" 1
499 1 77 SER HB2 1 114 LYS H 4.000 . 4.000 3.293 2.590 4.007 0.007 14 0 "[ . 1 . 2]" 1
500 1 77 SER HB3 1 78 ILE H 3.894 . 3.894 3.475 2.622 3.627 . 0 0 "[ . 1 . 2]" 1
501 1 77 SER HB3 1 114 LYS H 4.000 . 4.000 2.796 2.352 4.010 0.010 14 0 "[ . 1 . 2]" 1
502 1 78 ILE H 1 78 ILE HB 2.823 . 2.823 2.153 2.052 2.273 . 0 0 "[ . 1 . 2]" 1
503 1 78 ILE H 1 78 ILE MG 3.596 . 4.596 2.426 2.268 2.713 . 0 0 "[ . 1 . 2]" 1
504 1 78 ILE H 1 79 VAL H 3.283 . 3.283 2.833 2.545 3.094 . 0 0 "[ . 1 . 2]" 1
505 1 78 ILE H 1 80 ALA H 4.500 . 4.500 4.342 3.985 4.489 . 0 0 "[ . 1 . 2]" 1
506 1 78 ILE H 1 104 LEU MD1 6.085 . 7.085 4.411 3.163 4.990 . 0 0 "[ . 1 . 2]" 1
507 1 78 ILE H 1 104 LEU MD2 5.000 . 6.000 3.599 2.697 4.870 . 0 0 "[ . 1 . 2]" 1
508 1 78 ILE HA 1 79 VAL H 5.104 . 5.104 3.581 3.496 3.666 . 0 0 "[ . 1 . 2]" 1
509 1 78 ILE HA 1 81 LEU H 3.364 . 3.364 3.351 3.096 3.432 0.068 15 0 "[ . 1 . 2]" 1
510 1 78 ILE MD 1 88 TRP HE1 4.500 . 5.500 3.468 2.971 4.114 . 0 0 "[ . 1 . 2]" 1
511 1 78 ILE MD 1 88 TRP HH2 5.500 . 5.500 4.164 3.344 4.398 . 0 0 "[ . 1 . 2]" 1
512 1 78 ILE MD 1 88 TRP HZ2 3.500 . 4.500 2.410 2.150 2.614 . 0 0 "[ . 1 . 2]" 1
513 1 78 ILE MG 1 79 VAL H 3.750 . 4.750 2.262 2.126 2.580 . 0 0 "[ . 1 . 2]" 1
514 1 78 ILE MG 1 116 GLY H 5.000 . 6.000 4.591 4.333 4.840 . 0 0 "[ . 1 . 2]" 1
515 1 79 VAL H 1 79 VAL HB 2.684 . 2.684 2.344 2.245 2.424 . 0 0 "[ . 1 . 2]" 1
516 1 79 VAL H 1 79 VAL MG1 3.174 . 4.174 3.726 3.653 3.771 . 0 0 "[ . 1 . 2]" 1
517 1 79 VAL H 1 79 VAL MG2 4.186 . 5.186 2.290 2.089 2.516 . 0 0 "[ . 1 . 2]" 1
518 1 79 VAL H 1 80 ALA H 3.050 . 3.050 2.734 2.500 2.847 . 0 0 "[ . 1 . 2]" 1
519 1 79 VAL H 1 81 LEU H 5.500 . 5.500 4.146 3.950 4.342 . 0 0 "[ . 1 . 2]" 1
520 1 79 VAL HA 1 80 ALA H 3.891 . 3.891 3.632 3.606 3.648 . 0 0 "[ . 1 . 2]" 1
521 1 79 VAL HA 1 82 GLY H 3.767 . 3.767 3.444 3.257 3.602 . 0 0 "[ . 1 . 2]" 1
522 1 79 VAL HA 1 83 ALA H 5.000 . 5.000 4.021 3.887 4.277 . 0 0 "[ . 1 . 2]" 1
523 1 79 VAL HB 1 80 ALA H 2.600 . 2.600 2.606 2.452 2.662 0.062 16 0 "[ . 1 . 2]" 1
524 1 79 VAL MG2 1 80 ALA H 4.321 . 5.321 3.993 3.875 4.044 . 0 0 "[ . 1 . 2]" 1
525 1 79 VAL MG2 1 83 ALA H 5.766 . 6.766 5.475 5.349 5.598 . 0 0 "[ . 1 . 2]" 1
526 1 80 ALA H 1 80 ALA HA 2.826 . 2.826 2.814 2.755 2.834 0.008 8 0 "[ . 1 . 2]" 1
527 1 80 ALA H 1 80 ALA MB 2.897 . 3.897 2.238 2.221 2.270 . 0 0 "[ . 1 . 2]" 1
528 1 80 ALA H 1 81 LEU H 3.230 . 3.230 2.815 2.720 3.044 . 0 0 "[ . 1 . 2]" 1
529 1 80 ALA H 1 81 LEU HA 6.000 . 6.000 5.396 5.316 5.563 . 0 0 "[ . 1 . 2]" 1
530 1 80 ALA HA 1 81 LEU H 4.067 . 4.067 3.594 3.563 3.684 . 0 0 "[ . 1 . 2]" 1
531 1 80 ALA HA 1 82 GLY H 4.500 . 4.500 4.491 4.270 4.565 0.065 7 0 "[ . 1 . 2]" 1
532 1 80 ALA HA 1 83 ALA H 3.500 . 3.500 3.288 3.084 3.393 . 0 0 "[ . 1 . 2]" 1
533 1 80 ALA MB 1 81 LEU H 3.557 . 4.557 2.582 2.444 2.790 . 0 0 "[ . 1 . 2]" 1
534 1 81 LEU H 1 81 LEU HA 2.791 . 2.791 2.802 2.788 2.829 0.038 7 0 "[ . 1 . 2]" 1
535 1 81 LEU H 1 81 LEU HB2 3.097 . 3.097 2.287 2.029 2.521 . 0 0 "[ . 1 . 2]" 1
536 1 81 LEU H 1 81 LEU HB3 3.186 . 3.186 2.766 2.444 3.439 0.253 14 0 "[ . 1 . 2]" 1
537 1 81 LEU H 1 82 GLY H 3.188 . 3.188 2.798 2.708 2.886 . 0 0 "[ . 1 . 2]" 1
538 1 81 LEU H 1 83 ALA H 4.300 . 4.300 4.283 4.204 4.322 0.022 14 0 "[ . 1 . 2]" 1
539 1 81 LEU H 1 108 LEU MD1 4.906 . 5.906 3.860 3.178 4.307 . 0 0 "[ . 1 . 2]" 1
540 1 81 LEU H 1 108 LEU MD2 4.358 . 5.358 3.211 2.695 3.851 . 0 0 "[ . 1 . 2]" 1
541 1 81 LEU HA 1 82 GLY H 4.000 . 4.000 3.587 3.549 3.620 . 0 0 "[ . 1 . 2]" 1
542 1 81 LEU HA 1 84 SER H 4.500 . 4.500 3.542 3.319 3.849 . 0 0 "[ . 1 . 2]" 1
543 1 81 LEU HB2 1 82 GLY H 3.656 . 3.656 3.514 2.462 3.764 0.108 17 0 "[ . 1 . 2]" 1
544 1 81 LEU HB3 1 82 GLY H 3.631 . 3.631 2.529 2.352 3.284 . 0 0 "[ . 1 . 2]" 1
545 1 81 LEU QD 1 82 GLY H 5.363 . 6.363 3.795 3.160 4.110 . 0 0 "[ . 1 . 2]" 1
546 1 81 LEU QD 1 86 PHE H 5.774 . 6.774 4.410 3.719 4.962 . 0 0 "[ . 1 . 2]" 1
547 1 81 LEU QD 1 86 PHE HZ 4.500 . 5.500 3.646 2.924 4.180 . 0 0 "[ . 1 . 2]" 1
548 1 81 LEU QD 1 88 TRP HE1 6.000 . 7.000 5.320 4.392 5.582 . 0 0 "[ . 1 . 2]" 1
549 1 81 LEU QD 1 88 TRP HH2 5.000 . 6.000 4.125 3.539 4.460 . 0 0 "[ . 1 . 2]" 1
550 1 81 LEU QD 1 103 PHE QD 4.000 . 7.000 3.246 2.704 3.932 . 0 0 "[ . 1 . 2]" 1
551 1 81 LEU QD 1 107 LYS H 5.500 . 6.500 4.189 3.905 4.495 . 0 0 "[ . 1 . 2]" 1
552 1 81 LEU QD 1 108 LEU H 5.003 . 6.000 3.275 2.980 3.942 . 0 0 "[ . 1 . 2]" 1
553 1 81 LEU HG 1 86 PHE HZ 6.000 . 6.000 5.768 5.065 6.092 0.092 15 0 "[ . 1 . 2]" 1
554 1 82 GLY H 1 82 GLY HA2 3.000 . 3.000 2.818 2.755 2.854 . 0 0 "[ . 1 . 2]" 1
555 1 82 GLY H 1 82 GLY HA3 2.907 . 2.907 2.280 2.258 2.309 . 0 0 "[ . 1 . 2]" 1
556 1 82 GLY H 1 83 ALA H 3.050 . 3.050 2.845 2.623 2.975 . 0 0 "[ . 1 . 2]" 1
557 1 82 GLY H 1 84 SER H 5.000 . 5.000 4.158 3.990 4.487 . 0 0 "[ . 1 . 2]" 1
558 1 82 GLY H 1 86 PHE H 5.000 . 5.000 4.910 4.668 5.091 0.091 2 0 "[ . 1 . 2]" 1
559 1 82 GLY HA2 1 83 ALA H 3.297 . 4.000 3.581 3.563 3.602 . 0 0 "[ . 1 . 2]" 1
560 1 82 GLY HA2 1 85 GLY H 4.000 . 4.000 3.936 3.590 4.051 0.051 12 0 "[ . 1 . 2]" 1
561 1 82 GLY HA2 1 86 PHE QD 5.000 . 7.000 3.607 2.940 4.662 . 0 0 "[ . 1 . 2]" 1
562 1 82 GLY HA3 1 83 ALA H 3.283 . 3.500 2.626 2.548 2.720 . 0 0 "[ . 1 . 2]" 1
563 1 82 GLY HA3 1 84 SER H 5.000 . 5.000 4.526 4.372 4.724 . 0 0 "[ . 1 . 2]" 1
564 1 82 GLY HA3 1 86 PHE H 5.000 . 5.000 4.393 4.149 4.730 . 0 0 "[ . 1 . 2]" 1
565 1 83 ALA H 1 83 ALA HA 3.000 . 3.000 2.791 2.737 2.825 . 0 0 "[ . 1 . 2]" 1
566 1 83 ALA H 1 83 ALA MB 2.750 . 3.750 2.221 2.202 2.251 . 0 0 "[ . 1 . 2]" 1
567 1 83 ALA H 1 84 SER H 3.096 . 3.096 2.870 2.742 3.042 . 0 0 "[ . 1 . 2]" 1
568 1 83 ALA H 1 85 GLY H 4.500 . 4.500 4.237 4.097 4.339 . 0 0 "[ . 1 . 2]" 1
569 1 83 ALA HA 1 84 SER H 4.000 . 4.000 3.566 3.545 3.596 . 0 0 "[ . 1 . 2]" 1
570 1 83 ALA HA 1 85 GLY H 3.652 . 3.652 3.497 3.330 3.681 0.029 3 0 "[ . 1 . 2]" 1
571 1 83 ALA MB 1 84 SER H 2.891 . 3.891 2.771 2.611 2.974 . 0 0 "[ . 1 . 2]" 1
572 1 83 ALA MB 1 85 GLY H 4.200 . 5.200 4.250 4.192 4.312 . 0 0 "[ . 1 . 2]" 1
573 1 84 SER H 1 84 SER QB 2.600 . 2.600 2.510 2.247 2.569 . 0 0 "[ . 1 . 2]" 1
574 1 84 SER H 1 85 GLY H 3.060 . 3.060 2.810 2.658 2.967 . 0 0 "[ . 1 . 2]" 1
575 1 84 SER H 1 86 PHE H 3.820 . 3.820 3.782 3.437 3.876 0.056 6 0 "[ . 1 . 2]" 1
576 1 84 SER HA 1 85 GLY H 3.631 . 3.631 3.341 3.236 3.439 . 0 0 "[ . 1 . 2]" 1
577 1 84 SER QB 1 85 GLY H 6.000 . 6.000 3.665 3.259 4.033 . 0 0 "[ . 1 . 2]" 1
578 1 85 GLY H 1 85 GLY HA2 3.000 . 3.000 2.320 2.274 2.397 . 0 0 "[ . 1 . 2]" 1
579 1 85 GLY H 1 86 PHE H 3.178 . 3.178 2.247 1.999 2.469 . 0 0 "[ . 1 . 2]" 1
580 1 85 GLY H 1 86 PHE HB2 5.000 . 5.000 4.624 4.318 5.025 0.025 3 0 "[ . 1 . 2]" 1
581 1 85 GLY H 1 86 PHE HB3 4.655 . 4.655 4.418 4.102 4.760 0.105 14 0 "[ . 1 . 2]" 1
582 1 85 GLY HA2 1 86 PHE H 4.000 . 4.000 3.020 2.844 3.254 . 0 0 "[ . 1 . 2]" 1
583 1 85 GLY HA3 1 86 PHE H 4.000 . 4.000 3.562 3.485 3.612 . 0 0 "[ . 1 . 2]" 1
584 1 86 PHE H 1 86 PHE HB2 2.950 . 2.950 2.735 2.444 2.964 0.014 2 0 "[ . 1 . 2]" 1
585 1 86 PHE H 1 86 PHE HB3 2.870 . 2.870 2.418 2.334 2.506 . 0 0 "[ . 1 . 2]" 1
586 1 86 PHE H 1 86 PHE QD 4.500 . 6.500 4.214 4.122 4.287 . 0 0 "[ . 1 . 2]" 1
587 1 86 PHE H 1 87 ALA H 4.500 . 4.500 4.308 3.891 4.587 0.087 15 0 "[ . 1 . 2]" 1
588 1 86 PHE HA 1 87 ALA H 2.600 . 2.600 2.211 2.107 2.302 . 0 0 "[ . 1 . 2]" 1
589 1 86 PHE HB2 1 87 ALA H 4.500 . 4.500 4.321 3.935 4.563 0.063 20 0 "[ . 1 . 2]" 1
590 1 86 PHE HB3 1 87 ALA H 4.671 . 4.671 4.288 3.757 4.522 . 0 0 "[ . 1 . 2]" 1
591 1 86 PHE QD 1 87 ALA H 4.000 . 6.000 3.481 2.689 4.020 . 0 0 "[ . 1 . 2]" 1
592 1 86 PHE QD 1 87 ALA HA 4.500 . 6.500 4.279 2.993 5.337 . 0 0 "[ . 1 . 2]" 1
593 1 86 PHE QD 1 88 TRP HE1 6.000 . 7.000 5.141 4.847 5.460 . 0 0 "[ . 1 . 2]" 1
594 1 86 PHE QD 1 103 PHE QE 4.000 . 8.000 4.362 3.910 5.176 . 0 0 "[ . 1 . 2]" 1
595 1 86 PHE QE 1 88 TRP H 6.000 . 8.000 4.568 3.483 5.621 . 0 0 "[ . 1 . 2]" 1
596 1 86 PHE QE 1 92 ASP H 6.000 . 8.000 5.612 4.971 6.552 . 0 0 "[ . 1 . 2]" 1
597 1 86 PHE HZ 1 88 TRP HA 4.500 . 4.500 3.579 2.654 4.570 0.070 14 0 "[ . 1 . 2]" 1
598 1 86 PHE HZ 1 88 TRP HH2 5.500 . 5.500 3.869 3.190 4.499 . 0 0 "[ . 1 . 2]" 1
599 1 86 PHE HZ 1 88 TRP HZ3 6.000 . 6.000 2.848 2.569 3.417 . 0 0 "[ . 1 . 2]" 1
600 1 86 PHE HZ 1 92 ASP HB2 5.000 . 5.000 3.573 2.891 4.494 . 0 0 "[ . 1 . 2]" 1
601 1 86 PHE HZ 1 96 TYR HB2 5.000 . 5.000 4.636 3.858 5.067 0.067 5 0 "[ . 1 . 2]" 1
602 1 86 PHE HZ 1 103 PHE QD 4.500 . 6.500 4.374 2.857 5.103 . 0 0 "[ . 1 . 2]" 1
603 1 86 PHE HZ 1 103 PHE QE 4.000 . 6.000 2.553 2.256 2.974 . 0 0 "[ . 1 . 2]" 1
604 1 87 ALA H 1 87 ALA MB 3.331 . 4.331 2.398 2.220 2.691 . 0 0 "[ . 1 . 2]" 1
605 1 87 ALA H 1 88 TRP H 4.500 . 4.500 4.412 4.132 4.545 0.045 7 0 "[ . 1 . 2]" 1
606 1 87 ALA HA 1 88 TRP H 2.600 . 2.600 2.242 2.194 2.338 . 0 0 "[ . 1 . 2]" 1
607 1 87 ALA MB 1 88 TRP H 3.357 . 4.357 3.199 2.954 3.468 . 0 0 "[ . 1 . 2]" 1
608 1 88 TRP H 1 88 TRP HA 3.006 . 3.006 2.847 2.789 2.892 . 0 0 "[ . 1 . 2]" 1
609 1 88 TRP H 1 88 TRP HB2 3.042 . 3.042 2.214 2.026 2.300 . 0 0 "[ . 1 . 2]" 1
610 1 88 TRP H 1 88 TRP HB3 3.913 . 3.913 3.482 3.309 3.557 . 0 0 "[ . 1 . 2]" 1
611 1 88 TRP H 1 88 TRP HE1 5.500 . 5.500 5.354 5.179 5.506 0.006 1 0 "[ . 1 . 2]" 1
612 1 88 TRP H 1 89 THR H 4.500 . 4.500 4.500 4.272 4.605 0.105 15 0 "[ . 1 . 2]" 1
613 1 88 TRP HA 1 89 THR H 2.662 . 2.662 2.215 2.138 2.307 . 0 0 "[ . 1 . 2]" 1
614 1 88 TRP HB2 1 88 TRP HE1 5.000 . 5.000 4.780 4.738 4.802 . 0 0 "[ . 1 . 2]" 1
615 1 88 TRP HB2 1 89 THR H 5.000 . 5.000 4.295 3.944 4.631 . 0 0 "[ . 1 . 2]" 1
616 1 88 TRP HB3 1 89 THR H 4.000 . 4.000 3.302 2.684 4.014 0.014 18 0 "[ . 1 . 2]" 1
617 1 88 TRP HE3 1 92 ASP H 6.000 . 6.000 4.640 4.409 4.829 . 0 0 "[ . 1 . 2]" 1
618 1 88 TRP HE3 1 93 ILE H 5.000 . 5.000 3.021 2.841 3.223 . 0 0 "[ . 1 . 2]" 1
619 1 88 TRP HH2 1 96 TYR H 6.000 . 6.000 5.005 4.812 5.276 . 0 0 "[ . 1 . 2]" 1
620 1 88 TRP HH2 1 96 TYR HB2 5.000 . 5.000 2.616 2.421 2.872 . 0 0 "[ . 1 . 2]" 1
621 1 88 TRP HH2 1 96 TYR HB3 4.000 . 4.000 3.375 3.060 3.826 . 0 0 "[ . 1 . 2]" 1
622 1 88 TRP HH2 1 96 TYR HD2 5.000 . 5.000 3.728 3.108 4.178 . 0 0 "[ . 1 . 2]" 1
623 1 88 TRP HH2 1 96 TYR HE1 5.500 . 5.500 4.078 3.740 4.722 . 0 0 "[ . 1 . 2]" 1
624 1 88 TRP HH2 1 97 VAL H 6.000 . 6.000 5.903 5.703 6.068 0.068 1 0 "[ . 1 . 2]" 1
625 1 88 TRP HH2 1 103 PHE QB 5.000 . 5.000 4.313 3.739 4.729 . 0 0 "[ . 1 . 2]" 1
626 1 88 TRP HH2 1 103 PHE QD 4.000 . 6.000 3.297 2.605 4.103 . 0 0 "[ . 1 . 2]" 1
627 1 88 TRP HH2 1 104 LEU MD2 5.000 . 6.000 4.535 2.968 5.617 . 0 0 "[ . 1 . 2]" 1
628 1 88 TRP HZ3 1 96 TYR H 4.500 . 4.500 3.652 3.499 3.868 . 0 0 "[ . 1 . 2]" 1
629 1 88 TRP HZ3 1 103 PHE QD 5.000 . 7.000 4.085 3.233 4.748 . 0 0 "[ . 1 . 2]" 1
630 1 88 TRP HZ3 1 103 PHE QE 5.000 . 7.000 3.305 2.694 3.810 . 0 0 "[ . 1 . 2]" 1
631 1 89 THR H 1 89 THR MG 3.478 . 4.478 2.788 2.327 3.803 . 0 0 "[ . 1 . 2]" 1
632 1 89 THR H 1 90 GLU H 6.000 . 6.000 4.491 4.329 4.676 . 0 0 "[ . 1 . 2]" 1
633 1 89 THR H 1 92 ASP H 3.684 . 3.684 3.423 3.251 3.541 . 0 0 "[ . 1 . 2]" 1
634 1 89 THR H 1 92 ASP HB2 4.146 . 4.146 2.000 1.909 2.073 . 0 0 "[ . 1 . 2]" 1
635 1 89 THR H 1 92 ASP HB3 3.502 . 3.502 3.481 3.335 3.625 0.123 17 0 "[ . 1 . 2]" 1
636 1 89 THR H 1 93 ILE H 3.805 . 3.805 3.427 2.864 3.862 0.057 6 0 "[ . 1 . 2]" 1
637 1 89 THR HA 1 90 GLU H 2.695 . 2.695 2.434 2.290 2.527 . 0 0 "[ . 1 . 2]" 1
638 1 89 THR HA 1 91 GLU H 4.462 . 4.462 4.270 4.142 4.529 0.067 17 0 "[ . 1 . 2]" 1
639 1 89 THR HB 1 90 GLU H 2.823 . 2.823 2.541 2.356 2.856 0.033 17 0 "[ . 1 . 2]" 1
640 1 89 THR HB 1 91 GLU H 3.535 . 3.535 2.828 2.751 2.985 . 0 0 "[ . 1 . 2]" 1
641 1 89 THR HB 1 92 ASP H 4.639 . 4.639 3.530 3.339 3.699 . 0 0 "[ . 1 . 2]" 1
642 1 89 THR MG 1 90 GLU H 4.449 . 5.449 3.805 2.490 3.976 . 0 0 "[ . 1 . 2]" 1
643 1 89 THR MG 1 91 GLU H 4.000 . 5.000 4.259 4.103 4.314 . 0 0 "[ . 1 . 2]" 1
644 1 90 GLU H 1 90 GLU HB2 3.553 . 3.553 2.997 2.341 3.564 0.011 8 0 "[ . 1 . 2]" 1
645 1 90 GLU H 1 90 GLU HB3 3.280 . 3.280 3.096 2.283 3.570 0.290 1 0 "[ . 1 . 2]" 1
646 1 90 GLU H 1 90 GLU HG2 3.461 . 3.461 2.557 1.930 3.558 0.097 15 0 "[ . 1 . 2]" 1
647 1 90 GLU H 1 90 GLU HG3 3.010 . 3.010 2.702 2.007 3.483 0.473 6 0 "[ . 1 . 2]" 1
648 1 90 GLU H 1 91 GLU H 3.337 . 3.337 2.716 2.598 2.969 . 0 0 "[ . 1 . 2]" 1
649 1 90 GLU HA 1 91 GLU H 4.612 . 4.612 3.510 3.461 3.567 . 0 0 "[ . 1 . 2]" 1
650 1 90 GLU HA 1 93 ILE H 5.000 . 5.000 3.721 3.458 3.884 . 0 0 "[ . 1 . 2]" 1
651 1 90 GLU HA 1 94 ALA H 4.430 . 4.430 3.868 3.792 4.038 . 0 0 "[ . 1 . 2]" 1
652 1 90 GLU HB2 1 91 GLU H 4.141 . 4.141 3.012 2.200 3.952 . 0 0 "[ . 1 . 2]" 1
653 1 90 GLU HB3 1 91 GLU H 3.754 . 3.754 3.764 3.374 4.167 0.413 7 0 "[ . 1 . 2]" 1
654 1 90 GLU HG2 1 91 GLU H 4.314 . 4.314 3.791 2.222 4.914 0.600 11 3 "[ . 1+-* . 2]" 1
655 1 91 GLU H 1 91 GLU HA 3.100 . 3.100 2.871 2.834 2.907 . 0 0 "[ . 1 . 2]" 1
656 1 91 GLU H 1 91 GLU HB2 3.047 . 3.047 2.905 2.505 3.677 0.630 5 6 "[ *-+ * *. * 2]" 1
657 1 91 GLU H 1 91 GLU HB3 20.000 3.000 20.000 3.322 2.610 3.654 0.390 3 0 "[ . 1 . 2]" 1
658 1 91 GLU H 1 91 GLU HG2 3.765 . 3.765 2.609 1.887 3.731 . 0 0 "[ . 1 . 2]" 1
659 1 91 GLU H 1 91 GLU HG3 3.223 . 3.223 2.837 2.122 3.513 0.290 13 0 "[ . 1 . 2]" 1
660 1 91 GLU H 1 92 ASP H 3.115 . 3.115 2.713 2.601 2.902 . 0 0 "[ . 1 . 2]" 1
661 1 91 GLU H 1 93 ILE H 4.145 . 4.145 4.165 4.110 4.206 0.061 6 0 "[ . 1 . 2]" 1
662 1 91 GLU HA 1 92 ASP H 3.943 . 3.943 3.604 3.555 3.630 . 0 0 "[ . 1 . 2]" 1
663 1 91 GLU HA 1 94 ALA H 3.823 . 3.823 3.683 3.535 3.834 0.011 15 0 "[ . 1 . 2]" 1
664 1 91 GLU HB2 1 92 ASP H 2.918 . 3.918 2.757 2.081 3.727 . 0 0 "[ . 1 . 2]" 1
665 1 91 GLU HB3 1 92 ASP H 4.336 . 5.336 3.674 3.351 3.991 . 0 0 "[ . 1 . 2]" 1
666 1 91 GLU HG2 1 92 ASP H 4.390 . 4.390 3.977 2.605 4.912 0.522 18 2 "[ . 1 .- + 2]" 1
667 1 92 ASP H 1 92 ASP HB2 3.481 . 3.481 2.394 2.310 2.592 . 0 0 "[ . 1 . 2]" 1
668 1 92 ASP H 1 92 ASP HB3 3.457 . 3.457 3.556 3.538 3.572 0.115 14 0 "[ . 1 . 2]" 1
669 1 92 ASP H 1 93 ILE H 3.181 . 3.181 2.804 2.676 2.945 . 0 0 "[ . 1 . 2]" 1
670 1 92 ASP H 1 94 ALA H 4.500 . 4.500 4.355 4.248 4.443 . 0 0 "[ . 1 . 2]" 1
671 1 92 ASP HA 1 95 THR H 3.565 . 3.565 3.490 3.356 3.593 0.028 18 0 "[ . 1 . 2]" 1
672 1 92 ASP HA 1 103 PHE QD 5.000 . 7.000 4.766 4.166 5.383 . 0 0 "[ . 1 . 2]" 1
673 1 92 ASP HA 1 103 PHE QE 5.000 . 7.000 2.830 2.392 3.446 . 0 0 "[ . 1 . 2]" 1
674 1 92 ASP HB3 1 93 ILE H 4.243 . 4.243 3.454 3.304 3.637 . 0 0 "[ . 1 . 2]" 1
675 1 93 ILE H 1 93 ILE HB 2.677 . 2.677 2.465 2.355 2.549 . 0 0 "[ . 1 . 2]" 1
676 1 93 ILE H 1 93 ILE MD 4.587 . 5.587 3.416 3.207 3.769 . 0 0 "[ . 1 . 2]" 1
677 1 93 ILE H 1 93 ILE HG12 4.449 . 4.449 3.373 2.184 3.736 . 0 0 "[ . 1 . 2]" 1
678 1 93 ILE H 1 93 ILE HG13 3.312 . 3.312 2.384 2.021 3.463 0.151 7 0 "[ . 1 . 2]" 1
679 1 93 ILE H 1 94 ALA H 3.076 . 3.076 2.816 2.742 2.876 . 0 0 "[ . 1 . 2]" 1
680 1 93 ILE H 1 94 ALA MB 6.085 . 7.085 4.389 4.302 4.457 . 0 0 "[ . 1 . 2]" 1
681 1 93 ILE H 1 129 ALA MB 5.652 . 6.652 4.400 4.220 4.542 . 0 0 "[ . 1 . 2]" 1
682 1 93 ILE HA 1 94 ALA H 4.284 . 4.284 3.601 3.584 3.616 . 0 0 "[ . 1 . 2]" 1
683 1 93 ILE HA 1 96 TYR H 4.051 . 4.051 3.642 3.462 3.784 . 0 0 "[ . 1 . 2]" 1
684 1 93 ILE HA 1 97 VAL H 5.489 . 5.489 3.923 3.682 4.276 . 0 0 "[ . 1 . 2]" 1
685 1 93 ILE HB 1 94 ALA H 3.211 . 3.211 2.394 2.301 2.600 . 0 0 "[ . 1 . 2]" 1
686 1 93 ILE MD 1 94 ALA H 6.085 . 7.085 4.350 4.089 4.786 . 0 0 "[ . 1 . 2]" 1
687 1 93 ILE MG 1 94 ALA H 4.294 . 5.294 3.155 3.025 3.261 . 0 0 "[ . 1 . 2]" 1
688 1 93 ILE MG 1 97 VAL H 4.804 . 5.804 3.949 3.646 4.262 . 0 0 "[ . 1 . 2]" 1
689 1 94 ALA H 1 94 ALA HA 2.846 . 2.846 2.774 2.756 2.792 . 0 0 "[ . 1 . 2]" 1
690 1 94 ALA H 1 94 ALA MB 3.033 . 4.033 2.221 2.197 2.245 . 0 0 "[ . 1 . 2]" 1
691 1 94 ALA H 1 95 THR H 3.050 . 3.050 2.880 2.835 2.958 . 0 0 "[ . 1 . 2]" 1
692 1 94 ALA H 1 129 ALA MB 3.986 . 4.986 2.871 2.590 3.140 . 0 0 "[ . 1 . 2]" 1
693 1 94 ALA HA 1 95 THR H 4.218 . 4.218 3.585 3.564 3.622 . 0 0 "[ . 1 . 2]" 1
694 1 94 ALA HA 1 97 VAL H 4.187 . 4.187 4.006 3.756 4.220 0.033 1 0 "[ . 1 . 2]" 1
695 1 94 ALA HA 1 129 ALA H 4.500 . 4.500 4.353 4.019 4.548 0.048 4 0 "[ . 1 . 2]" 1
696 1 94 ALA MB 1 95 THR H 3.484 . 4.484 2.549 2.409 2.685 . 0 0 "[ . 1 . 2]" 1
697 1 94 ALA MB 1 126 GLU H 4.500 . 5.500 3.102 2.547 3.519 . 0 0 "[ . 1 . 2]" 1
698 1 94 ALA MB 1 127 ASP H 6.000 . 7.000 4.890 4.701 5.274 . 0 0 "[ . 1 . 2]" 1
699 1 95 THR H 1 95 THR HA 2.899 . 2.899 2.874 2.834 2.903 0.004 14 0 "[ . 1 . 2]" 1
700 1 95 THR H 1 95 THR HB 2.738 . 2.738 2.594 2.497 2.699 . 0 0 "[ . 1 . 2]" 1
701 1 95 THR H 1 96 TYR H 3.100 . 3.100 2.751 2.674 2.951 . 0 0 "[ . 1 . 2]" 1
702 1 95 THR HA 1 96 TYR H 5.000 . 5.000 3.597 3.573 3.622 . 0 0 "[ . 1 . 2]" 1
703 1 95 THR HA 1 98 LYS H 4.700 . 4.700 3.799 3.306 4.071 . 0 0 "[ . 1 . 2]" 1
704 1 95 THR HB 1 96 TYR H 3.198 . 3.198 2.365 2.179 2.683 . 0 0 "[ . 1 . 2]" 1
705 1 96 TYR H 1 96 TYR HB2 3.192 . 3.192 2.549 2.425 2.660 . 0 0 "[ . 1 . 2]" 1
706 1 96 TYR H 1 96 TYR HB3 3.249 . 3.249 2.368 2.290 2.541 . 0 0 "[ . 1 . 2]" 1
707 1 96 TYR H 1 97 VAL H 3.422 . 3.422 3.054 2.854 3.208 . 0 0 "[ . 1 . 2]" 1
708 1 96 TYR H 1 103 PHE QD 4.500 . 6.500 3.794 3.437 4.177 . 0 0 "[ . 1 . 2]" 1
709 1 96 TYR HA 1 96 TYR HD1 4.500 . 4.500 2.649 2.327 2.878 . 0 0 "[ . 1 . 2]" 1
710 1 96 TYR HA 1 97 VAL H 4.957 . 4.957 3.614 3.573 3.642 . 0 0 "[ . 1 . 2]" 1
711 1 96 TYR HA 1 103 PHE H 4.974 . 4.974 4.493 3.992 4.992 0.018 10 0 "[ . 1 . 2]" 1
712 1 96 TYR HB2 1 97 VAL H 4.000 . 4.000 4.013 3.813 4.108 0.108 17 0 "[ . 1 . 2]" 1
713 1 96 TYR HB3 1 97 VAL H 4.043 . 4.043 2.682 2.403 2.904 . 0 0 "[ . 1 . 2]" 1
714 1 96 TYR HD1 1 103 PHE QB 3.500 . 3.500 2.210 2.104 2.736 . 0 0 "[ . 1 . 2]" 1
715 1 96 TYR HE2 1 117 MET ME 5.500 . 6.500 2.480 2.280 2.990 . 0 0 "[ . 1 . 2]" 1
716 1 97 VAL H 1 97 VAL MG1 3.367 . 4.367 2.808 2.260 3.721 . 0 0 "[ . 1 . 2]" 1
717 1 97 VAL H 1 97 VAL MG2 3.302 . 4.302 2.189 2.096 2.312 . 0 0 "[ . 1 . 2]" 1
718 1 97 VAL H 1 98 LYS H 3.152 . 3.152 2.890 2.778 2.990 . 0 0 "[ . 1 . 2]" 1
719 1 97 VAL H 1 99 ASP H 4.500 . 4.500 4.175 3.931 4.408 . 0 0 "[ . 1 . 2]" 1
720 1 97 VAL H 1 117 MET ME 5.500 . 6.500 4.233 3.954 4.562 . 0 0 "[ . 1 . 2]" 1
721 1 97 VAL HA 1 98 LYS H 3.867 . 3.867 3.521 3.477 3.594 . 0 0 "[ . 1 . 2]" 1
722 1 97 VAL HA 1 99 ASP H 4.564 . 4.564 4.041 3.746 4.524 . 0 0 "[ . 1 . 2]" 1
723 1 97 VAL HB 1 98 LYS H 3.634 . 3.634 3.565 3.032 3.828 0.194 2 0 "[ . 1 . 2]" 1
724 1 97 VAL MG1 1 98 LYS H 5.642 . 6.642 3.976 3.473 4.224 . 0 0 "[ . 1 . 2]" 1
725 1 97 VAL MG2 1 98 LYS H 3.927 . 4.927 3.037 2.219 4.331 . 0 0 "[ . 1 . 2]" 1
726 1 97 VAL MG2 1 99 ASP H 6.085 . 7.085 4.761 4.221 5.567 . 0 0 "[ . 1 . 2]" 1
727 1 97 VAL MG2 1 121 LEU H 5.561 . 6.561 4.471 3.683 5.450 . 0 0 "[ . 1 . 2]" 1
728 1 97 VAL MG2 1 125 GLY H 5.147 . 6.147 3.833 2.442 6.329 0.182 5 0 "[ . 1 . 2]" 1
729 1 98 LYS H 1 98 LYS QB 2.777 . 3.777 2.623 2.375 3.058 . 0 0 "[ . 1 . 2]" 1
730 1 98 LYS H 1 98 LYS QD 4.322 . 5.322 4.069 2.887 4.508 . 0 0 "[ . 1 . 2]" 1
731 1 98 LYS H 1 98 LYS HG2 4.204 . 4.204 3.078 2.130 3.869 . 0 0 "[ . 1 . 2]" 1
732 1 98 LYS H 1 98 LYS HG3 3.118 . 3.118 2.427 2.135 2.853 . 0 0 "[ . 1 . 2]" 1
733 1 98 LYS H 1 99 ASP H 3.050 . 3.050 2.435 2.129 2.897 . 0 0 "[ . 1 . 2]" 1
734 1 98 LYS HA 1 99 ASP H 3.639 . 3.639 3.431 3.142 3.552 . 0 0 "[ . 1 . 2]" 1
735 1 98 LYS HA 1 121 LEU H 4.000 . 4.000 2.739 2.275 3.182 . 0 0 "[ . 1 . 2]" 1
736 1 98 LYS QB 1 99 ASP H 3.508 . 4.508 3.337 2.798 4.078 . 0 0 "[ . 1 . 2]" 1
737 1 98 LYS HG2 1 125 GLY H 6.000 . 7.007 4.493 3.329 5.738 . 0 0 "[ . 1 . 2]" 1
738 1 99 ASP H 1 99 ASP HA 3.033 . 3.033 2.946 2.833 3.008 . 0 0 "[ . 1 . 2]" 1
739 1 99 ASP H 1 99 ASP QB . . 3.838 2.851 2.507 3.376 . 0 0 "[ . 1 . 2]" 1
740 1 99 ASP H 1 100 PRO HA 4.500 . 4.500 4.298 4.050 4.552 0.052 7 0 "[ . 1 . 2]" 1
741 1 99 ASP H 1 100 PRO HD2 4.194 . 4.194 3.537 2.957 4.210 0.016 18 0 "[ . 1 . 2]" 1
742 1 99 ASP H 1 100 PRO HD3 3.326 . 3.326 2.695 2.306 3.291 . 0 0 "[ . 1 . 2]" 1
743 1 99 ASP H 1 102 ALA MB 6.085 . 7.085 5.188 4.972 5.334 . 0 0 "[ . 1 . 2]" 1
744 1 99 ASP H 1 120 LYS HB3 4.500 . 4.500 4.590 4.134 5.187 0.687 18 4 "[ * . - 1 * . + 2]" 1
745 1 99 ASP H 1 120 LYS QD 4.500 . 5.500 4.742 4.474 4.987 . 0 0 "[ . 1 . 2]" 1
746 1 99 ASP QB 1 101 GLY H 6.000 . 6.000 5.665 5.429 5.905 . 0 0 "[ . 1 . 2]" 1
747 1 99 ASP QB 1 102 ALA H 5.000 . 5.000 4.202 3.967 4.850 . 0 0 "[ . 1 . 2]" 1
748 1 99 ASP QB 1 103 PHE H 5.000 . 5.000 2.975 2.595 3.271 . 0 0 "[ . 1 . 2]" 1
749 1 100 PRO HA 1 101 GLY H 4.612 . 4.612 2.223 2.162 2.291 . 0 0 "[ . 1 . 2]" 1
750 1 100 PRO HA 1 103 PHE H 4.344 . 4.344 3.839 3.316 4.263 . 0 0 "[ . 1 . 2]" 1
751 1 100 PRO HB2 1 101 GLY H 5.000 . 5.000 3.295 2.716 3.781 . 0 0 "[ . 1 . 2]" 1
752 1 100 PRO HB2 1 115 THR H 6.000 . 6.000 5.224 4.227 6.167 0.167 12 0 "[ . 1 . 2]" 1
753 1 100 PRO HB3 1 101 GLY H 3.770 . 3.770 3.631 2.826 3.990 0.220 7 0 "[ . 1 . 2]" 1
754 1 100 PRO HD2 1 101 GLY H 6.000 3.500 6.000 5.555 5.129 5.757 . 0 0 "[ . 1 . 2]" 1
755 1 100 PRO HD3 1 101 GLY H 5.000 4.000 10.000 5.494 5.326 5.757 . 0 0 "[ . 1 . 2]" 1
756 1 100 PRO HG2 1 101 GLY H 5.000 . 5.000 4.879 4.290 5.536 0.536 18 4 "[ . -* .* + 2]" 1
757 1 101 GLY H 1 101 GLY HA2 3.000 . 3.000 2.344 2.303 2.380 . 0 0 "[ . 1 . 2]" 1
758 1 101 GLY H 1 101 GLY HA3 2.741 . 2.741 2.937 2.887 2.982 0.241 16 0 "[ . 1 . 2]" 1
759 1 101 GLY H 1 102 ALA H 3.800 . 3.800 3.635 3.499 3.773 . 0 0 "[ . 1 . 2]" 1
760 1 101 GLY H 1 103 PHE H 4.033 . 4.033 3.824 3.497 4.044 0.011 6 0 "[ . 1 . 2]" 1
761 1 101 GLY H 1 115 THR HB 5.000 . 5.000 3.541 2.785 4.274 . 0 0 "[ . 1 . 2]" 1
762 1 101 GLY H 1 115 THR MG 3.915 . 4.915 2.290 1.972 2.700 . 0 0 "[ . 1 . 2]" 1
763 1 101 GLY H 1 117 MET HB3 6.000 . 6.000 4.985 4.581 5.725 . 0 0 "[ . 1 . 2]" 1
764 1 101 GLY HA2 1 102 ALA H 3.566 . 3.566 3.590 3.563 3.631 0.065 6 0 "[ . 1 . 2]" 1
765 1 101 GLY HA2 1 104 LEU H 5.000 . 5.000 3.545 3.392 3.730 . 0 0 "[ . 1 . 2]" 1
766 1 101 GLY HA3 1 102 ALA H 4.016 . 4.016 2.581 2.515 2.758 . 0 0 "[ . 1 . 2]" 1
767 1 101 GLY HA3 1 115 THR H 5.000 . 5.000 3.886 2.774 4.644 . 0 0 "[ . 1 . 2]" 1
768 1 102 ALA H 1 102 ALA HA 3.000 . 3.000 2.814 2.751 2.860 . 0 0 "[ . 1 . 2]" 1
769 1 102 ALA H 1 102 ALA MB 2.869 . 3.869 2.216 2.131 2.250 . 0 0 "[ . 1 . 2]" 1
770 1 102 ALA H 1 103 PHE H 3.050 . 3.050 2.861 2.726 3.075 0.025 17 0 "[ . 1 . 2]" 1
771 1 102 ALA H 1 104 LEU H 4.500 . 4.500 4.331 4.139 4.545 0.045 2 0 "[ . 1 . 2]" 1
772 1 102 ALA HA 1 103 PHE H 3.734 . 3.734 3.591 3.563 3.632 . 0 0 "[ . 1 . 2]" 1
773 1 102 ALA HA 1 105 LYS H 3.654 . 3.654 3.586 3.457 3.692 0.038 4 0 "[ . 1 . 2]" 1
774 1 102 ALA MB 1 103 PHE H 3.649 . 4.649 2.459 2.355 2.620 . 0 0 "[ . 1 . 2]" 1
775 1 102 ALA MB 1 106 GLU H 6.000 . 7.000 4.463 4.367 4.537 . 0 0 "[ . 1 . 2]" 1
776 1 103 PHE H 1 103 PHE HA 3.000 . 3.000 2.777 2.723 2.833 . 0 0 "[ . 1 . 2]" 1
777 1 103 PHE H 1 103 PHE QB 2.892 . 2.892 2.178 2.141 2.240 . 0 0 "[ . 1 . 2]" 1
778 1 103 PHE H 1 103 PHE QD 3.500 . 5.500 4.123 3.986 4.176 . 0 0 "[ . 1 . 2]" 1
779 1 103 PHE H 1 104 LEU H 3.050 . 3.050 2.953 2.775 3.051 0.001 19 0 "[ . 1 . 2]" 1
780 1 103 PHE H 1 104 LEU HG 6.000 . 6.000 5.339 4.178 6.035 0.035 12 0 "[ . 1 . 2]" 1
781 1 103 PHE HA 1 104 LEU H 4.000 . 4.000 3.609 3.539 3.677 . 0 0 "[ . 1 . 2]" 1
782 1 103 PHE QB 1 104 LEU H 3.665 . 3.665 2.446 2.254 2.740 . 0 0 "[ . 1 . 2]" 1
783 1 103 PHE QD 1 104 LEU H 3.500 . 5.500 3.479 2.857 4.337 . 0 0 "[ . 1 . 2]" 1
784 1 104 LEU H 1 104 LEU HA 3.000 . 3.000 2.866 2.813 2.918 . 0 0 "[ . 1 . 2]" 1
785 1 104 LEU H 1 104 LEU HB2 3.798 . 3.798 2.473 2.309 2.666 . 0 0 "[ . 1 . 2]" 1
786 1 104 LEU H 1 104 LEU HB3 3.300 . 3.300 3.525 3.446 3.655 0.355 18 0 "[ . 1 . 2]" 1
787 1 104 LEU H 1 104 LEU MD1 4.155 . 5.155 2.640 1.944 3.837 . 0 0 "[ . 1 . 2]" 1
788 1 104 LEU H 1 104 LEU MD2 3.768 . 4.768 3.665 2.705 4.180 . 0 0 "[ . 1 . 2]" 1
789 1 104 LEU H 1 104 LEU HG 3.100 . 3.100 2.816 1.954 3.228 0.128 2 0 "[ . 1 . 2]" 1
790 1 104 LEU HA 1 105 LYS H 3.500 . 3.500 3.545 3.458 3.615 0.115 13 0 "[ . 1 . 2]" 1
791 1 104 LEU HA 1 107 LYS H 4.000 . 4.000 3.664 3.365 3.860 . 0 0 "[ . 1 . 2]" 1
792 1 104 LEU HB2 1 105 LYS H 3.236 . 3.236 2.327 2.063 2.612 . 0 0 "[ . 1 . 2]" 1
793 1 104 LEU HB3 1 105 LYS H 3.405 . 3.405 3.349 3.166 3.452 0.047 11 0 "[ . 1 . 2]" 1
794 1 104 LEU MD1 1 114 LYS H 4.251 . 5.251 4.661 3.288 5.852 0.601 2 1 "[ + . 1 . 2]" 1
795 1 104 LEU MD2 1 105 LYS H 4.000 . 5.000 4.530 4.262 4.835 . 0 0 "[ . 1 . 2]" 1
796 1 105 LYS H 1 105 LYS HA 3.129 . 3.129 2.800 2.736 2.863 . 0 0 "[ . 1 . 2]" 1
797 1 105 LYS H 1 105 LYS HB2 3.236 . 3.236 2.579 2.414 2.951 . 0 0 "[ . 1 . 2]" 1
798 1 105 LYS H 1 105 LYS HB3 6.000 3.000 6.000 3.460 2.140 3.661 0.860 16 2 "[ . - 1 .+ 2]" 1
799 1 105 LYS H 1 105 LYS HD2 3.649 . 3.649 3.886 3.600 4.552 0.903 8 6 "[ *. + * -** 2]" 1
800 1 105 LYS H 1 105 LYS HD3 4.500 . 4.500 4.305 3.681 4.603 0.103 20 0 "[ . 1 . 2]" 1
801 1 105 LYS H 1 106 GLU H 3.050 . 3.050 2.904 2.653 3.009 . 0 0 "[ . 1 . 2]" 1
802 1 105 LYS H 1 113 ALA MB 4.765 . 5.765 2.937 2.615 3.599 . 0 0 "[ . 1 . 2]" 1
803 1 105 LYS HA 1 106 GLU H 4.000 . 4.000 3.570 3.523 3.609 . 0 0 "[ . 1 . 2]" 1
804 1 105 LYS HA 1 108 LEU H 5.000 . 5.000 3.994 3.609 4.587 . 0 0 "[ . 1 . 2]" 1
805 1 105 LYS HA 1 110 ASP H 4.000 . 4.000 2.757 2.609 2.896 . 0 0 "[ . 1 . 2]" 1
806 1 105 LYS HA 1 113 ALA H 4.500 . 4.500 4.109 3.388 4.562 0.062 18 0 "[ . 1 . 2]" 1
807 1 105 LYS HB2 1 106 GLU H 4.000 . 4.000 2.728 2.418 4.284 0.284 8 0 "[ . 1 . 2]" 1
808 1 105 LYS HB3 1 106 GLU H 6.000 3.000 6.000 3.476 3.106 3.919 . 0 0 "[ . 1 . 2]" 1
809 1 105 LYS QG 1 113 ALA H 4.000 . 4.000 3.024 2.409 3.728 . 0 0 "[ . 1 . 2]" 1
810 1 106 GLU H 1 106 GLU HB2 2.600 . 2.800 2.474 2.338 2.622 . 0 0 "[ . 1 . 2]" 1
811 1 106 GLU H 1 106 GLU HB3 2.600 . 2.800 2.478 2.378 2.668 . 0 0 "[ . 1 . 2]" 1
812 1 106 GLU H 1 106 GLU HG3 5.500 . 5.500 4.468 4.366 4.579 . 0 0 "[ . 1 . 2]" 1
813 1 106 GLU H 1 107 LYS H 3.050 . 3.050 2.944 2.789 3.053 0.003 18 0 "[ . 1 . 2]" 1
814 1 106 GLU HG3 1 107 LYS H 4.292 . 4.292 4.419 3.596 4.955 0.663 4 3 "[ +. -1 * . 2]" 1
815 1 107 LYS H 1 107 LYS HA 3.006 . 3.006 2.859 2.773 2.970 . 0 0 "[ . 1 . 2]" 1
816 1 107 LYS H 1 107 LYS QB 3.074 . 4.074 2.413 2.290 2.514 . 0 0 "[ . 1 . 2]" 1
817 1 107 LYS H 1 107 LYS QD 4.223 . 5.223 3.735 3.183 4.044 . 0 0 "[ . 1 . 2]" 1
818 1 107 LYS H 1 107 LYS HG2 3.551 . 3.551 2.725 1.973 3.581 0.030 13 0 "[ . 1 . 2]" 1
819 1 107 LYS H 1 107 LYS HG3 3.092 . 3.092 2.902 2.181 3.589 0.497 2 0 "[ . 1 . 2]" 1
820 1 107 LYS H 1 108 LEU H 3.198 . 3.198 2.752 2.303 2.989 . 0 0 "[ . 1 . 2]" 1
821 1 107 LYS H 1 109 ASP H 4.500 . 4.500 3.973 3.460 4.196 . 0 0 "[ . 1 . 2]" 1
822 1 107 LYS HA 1 108 LEU H 6.000 . 6.000 3.578 3.529 3.604 . 0 0 "[ . 1 . 2]" 1
823 1 107 LYS QB 1 108 LEU H 3.789 . 4.789 2.582 2.334 2.979 . 0 0 "[ . 1 . 2]" 1
824 1 108 LEU H 1 108 LEU HB2 2.938 . 2.938 2.504 2.338 2.634 . 0 0 "[ . 1 . 2]" 1
825 1 108 LEU H 1 108 LEU HB3 2.791 . 2.791 2.513 2.425 2.699 . 0 0 "[ . 1 . 2]" 1
826 1 108 LEU H 1 108 LEU MD1 4.438 . 5.438 4.184 4.056 4.429 . 0 0 "[ . 1 . 2]" 1
827 1 108 LEU H 1 108 LEU MD2 4.397 . 5.397 4.217 4.053 4.261 . 0 0 "[ . 1 . 2]" 1
828 1 108 LEU H 1 109 ASP H 3.050 . 3.050 2.518 2.309 2.608 . 0 0 "[ . 1 . 2]" 1
829 1 108 LEU H 1 110 ASP H 5.000 . 5.000 4.349 3.861 5.002 0.002 15 0 "[ . 1 . 2]" 1
830 1 108 LEU HA 1 109 ASP H 3.300 . 3.300 3.373 3.302 3.448 0.148 15 0 "[ . 1 . 2]" 1
831 1 109 ASP H 1 109 ASP HA 2.600 . 2.600 2.260 2.236 2.312 . 0 0 "[ . 1 . 2]" 1
832 1 109 ASP H 1 109 ASP HB2 3.461 . 3.461 2.910 2.706 3.101 . 0 0 "[ . 1 . 2]" 1
833 1 109 ASP H 1 109 ASP HB3 3.118 . 3.118 3.404 3.224 3.542 0.424 14 0 "[ . 1 . 2]" 1
834 1 109 ASP H 1 110 ASP H 3.298 . 3.298 2.997 2.760 3.310 0.012 13 0 "[ . 1 . 2]" 1
835 1 109 ASP HA 1 110 ASP H 2.600 . 2.600 2.543 2.371 2.626 0.026 2 0 "[ . 1 . 2]" 1
836 1 109 ASP HB3 1 110 ASP H 4.859 . 4.859 4.430 4.332 4.499 . 0 0 "[ . 1 . 2]" 1
837 1 110 ASP H 1 110 ASP HB2 3.364 . 3.364 3.320 3.214 3.407 0.043 15 0 "[ . 1 . 2]" 1
838 1 110 ASP H 1 110 ASP HB3 3.211 . 3.211 2.696 2.469 2.933 . 0 0 "[ . 1 . 2]" 1
839 1 110 ASP H 1 111 LYS H 4.500 . 4.500 4.251 4.062 4.382 . 0 0 "[ . 1 . 2]" 1
840 1 110 ASP H 1 113 ALA MB 5.591 . 6.591 3.261 2.083 3.967 . 0 0 "[ . 1 . 2]" 1
841 1 110 ASP HA 1 111 LYS H 2.600 . 2.600 2.169 2.065 2.289 . 0 0 "[ . 1 . 2]" 1
842 1 110 ASP HA 1 112 LYS H 4.000 . 4.000 3.863 3.509 4.111 0.111 5 0 "[ . 1 . 2]" 1
843 1 110 ASP HB3 1 111 LYS H 4.194 . 4.194 4.130 3.683 4.450 0.256 16 0 "[ . 1 . 2]" 1
844 1 111 LYS H 1 111 LYS HA 3.000 . 3.000 2.852 2.742 2.973 . 0 0 "[ . 1 . 2]" 1
845 1 111 LYS H 1 111 LYS HB2 2.791 . 2.791 2.321 1.893 2.763 . 0 0 "[ . 1 . 2]" 1
846 1 111 LYS H 1 111 LYS HB3 2.942 . 2.942 2.683 2.389 3.189 0.247 16 0 "[ . 1 . 2]" 1
847 1 111 LYS H 1 111 LYS QD 4.435 . 5.435 4.022 1.904 4.828 . 0 0 "[ . 1 . 2]" 1
848 1 111 LYS H 1 111 LYS QG 4.510 . 5.510 3.840 3.046 4.096 . 0 0 "[ . 1 . 2]" 1
849 1 111 LYS H 1 112 LYS H 3.358 . 3.358 2.529 1.929 2.814 . 0 0 "[ . 1 . 2]" 1
850 1 111 LYS H 1 113 ALA H 4.281 . 4.281 4.234 3.998 4.331 0.050 16 0 "[ . 1 . 2]" 1
851 1 111 LYS HA 1 112 LYS H 3.607 . 3.607 3.561 3.494 3.609 0.002 7 0 "[ . 1 . 2]" 1
852 1 111 LYS HA 1 113 ALA H 4.008 . 4.008 3.796 3.580 3.986 . 0 0 "[ . 1 . 2]" 1
853 1 111 LYS HB3 1 112 LYS H 3.000 . 3.000 2.837 2.351 3.779 0.779 16 2 "[ - . 1 .+ 2]" 1
854 1 112 LYS H 1 112 LYS HA 2.918 . 2.918 2.937 2.897 2.979 0.061 15 0 "[ . 1 . 2]" 1
855 1 112 LYS H 1 112 LYS QB 2.911 . 3.911 2.507 2.160 2.987 . 0 0 "[ . 1 . 2]" 1
856 1 112 LYS H 1 112 LYS QD 4.243 . 5.243 4.086 3.320 4.590 . 0 0 "[ . 1 . 2]" 1
857 1 112 LYS H 1 113 ALA H 4.050 . 4.050 2.847 2.546 3.418 . 0 0 "[ . 1 . 2]" 1
858 1 112 LYS HA 1 113 ALA H 3.000 . 3.000 3.058 2.737 3.188 0.188 6 0 "[ . 1 . 2]" 1
859 1 112 LYS QB 1 113 ALA H 4.323 . 5.323 3.803 3.502 4.123 . 0 0 "[ . 1 . 2]" 1
860 1 113 ALA H 1 113 ALA HA 3.019 . 3.019 2.928 2.874 2.997 . 0 0 "[ . 1 . 2]" 1
861 1 113 ALA H 1 113 ALA MB 2.901 . 3.901 2.295 2.151 2.447 . 0 0 "[ . 1 . 2]" 1
862 1 113 ALA H 1 114 LYS H 4.234 . 4.234 3.863 3.642 4.377 0.143 16 0 "[ . 1 . 2]" 1
863 1 113 ALA HA 1 114 LYS H 2.600 . 2.600 2.394 2.147 2.523 . 0 0 "[ . 1 . 2]" 1
864 1 113 ALA MB 1 114 LYS H 3.787 . 4.787 3.652 3.282 3.753 . 0 0 "[ . 1 . 2]" 1
865 1 114 LYS H 1 114 LYS QB 3.466 . 4.466 2.539 2.228 3.266 . 0 0 "[ . 1 . 2]" 1
866 1 114 LYS HA 1 115 THR H 2.975 . 2.975 2.452 2.172 2.701 . 0 0 "[ . 1 . 2]" 1
867 1 114 LYS QB 1 115 THR H 4.184 . 5.184 2.800 2.053 3.802 . 0 0 "[ . 1 . 2]" 1
868 1 115 THR H 1 115 THR MG 3.782 . 4.782 2.180 1.867 2.607 . 0 0 "[ . 1 . 2]" 1
869 1 115 THR H 1 117 MET H 5.500 . 5.500 4.669 4.382 4.944 . 0 0 "[ . 1 . 2]" 1
870 1 115 THR H 1 117 MET HB2 6.000 . 6.000 6.401 6.077 6.920 0.920 1 7 "[+* .- 1** *. *2]" 1
871 1 115 THR HA 1 116 GLY H 3.102 . 3.102 2.305 2.251 2.344 . 0 0 "[ . 1 . 2]" 1
872 1 115 THR HB 1 116 GLY H 4.300 . 4.300 3.911 3.759 4.058 . 0 0 "[ . 1 . 2]" 1
873 1 115 THR MG 1 116 GLY H 5.000 . 6.000 3.777 3.557 3.966 . 0 0 "[ . 1 . 2]" 1
874 1 115 THR MG 1 117 MET H 4.276 . 5.276 2.599 2.397 2.811 . 0 0 "[ . 1 . 2]" 1
875 1 115 THR MG 1 118 ALA H 6.000 . 7.000 4.597 4.205 5.020 . 0 0 "[ . 1 . 2]" 1
876 1 115 THR MG 1 119 PHE H 5.000 . 6.000 4.584 4.189 4.936 . 0 0 "[ . 1 . 2]" 1
877 1 116 GLY H 1 116 GLY HA3 3.077 . 3.077 2.315 2.294 2.342 . 0 0 "[ . 1 . 2]" 1
878 1 116 GLY H 1 117 MET H 3.675 . 3.675 2.559 2.353 2.783 . 0 0 "[ . 1 . 2]" 1
879 1 116 GLY H 1 117 MET HB3 6.000 . 6.000 4.991 4.772 5.257 . 0 0 "[ . 1 . 2]" 1
880 1 116 GLY HA2 1 117 MET H 4.000 . 4.000 3.534 3.488 3.568 . 0 0 "[ . 1 . 2]" 1
881 1 116 GLY HA3 1 117 MET H 5.000 . 5.000 3.129 2.985 3.263 . 0 0 "[ . 1 . 2]" 1
882 1 117 MET H 1 117 MET HB2 3.734 . 3.734 2.296 2.178 2.456 . 0 0 "[ . 1 . 2]" 1
883 1 117 MET H 1 117 MET HB3 3.817 . 3.817 2.619 2.512 2.734 . 0 0 "[ . 1 . 2]" 1
884 1 117 MET H 1 117 MET ME 5.500 . 6.500 5.071 4.517 5.482 . 0 0 "[ . 1 . 2]" 1
885 1 117 MET H 1 117 MET HG2 4.500 . 4.500 4.497 4.427 4.573 0.073 12 0 "[ . 1 . 2]" 1
886 1 117 MET H 1 117 MET HG3 5.500 . 5.500 4.267 4.102 4.362 . 0 0 "[ . 1 . 2]" 1
887 1 117 MET H 1 118 ALA H 4.292 . 4.292 3.961 3.886 4.046 . 0 0 "[ . 1 . 2]" 1
888 1 117 MET HA 1 118 ALA H 2.600 . 2.600 2.363 2.325 2.451 . 0 0 "[ . 1 . 2]" 1
889 1 117 MET HB2 1 118 ALA H 6.000 . 6.000 4.645 4.621 4.681 . 0 0 "[ . 1 . 2]" 1
890 1 117 MET HB3 1 118 ALA H 6.000 . 6.000 4.497 4.478 4.518 . 0 0 "[ . 1 . 2]" 1
891 1 117 MET ME 1 119 PHE H 4.500 . 5.500 4.355 4.017 4.521 . 0 0 "[ . 1 . 2]" 1
892 1 117 MET ME 1 119 PHE QE 3.500 . 6.500 3.608 3.231 3.838 . 0 0 "[ . 1 . 2]" 1
893 1 117 MET HG2 1 118 ALA H 4.500 . 4.500 4.515 4.150 4.738 0.238 15 0 "[ . 1 . 2]" 1
894 1 117 MET HG2 1 119 PHE H 4.500 . 4.500 2.776 2.581 3.016 . 0 0 "[ . 1 . 2]" 1
895 1 117 MET HG2 1 119 PHE QD 5.500 . 7.500 3.100 2.600 3.718 . 0 0 "[ . 1 . 2]" 1
896 1 117 MET HG3 1 118 ALA H 5.500 . 5.500 4.027 3.835 4.281 . 0 0 "[ . 1 . 2]" 1
897 1 117 MET HG3 1 119 PHE H 4.000 . 4.000 3.590 3.381 4.024 0.024 4 0 "[ . 1 . 2]" 1
898 1 117 MET HG3 1 119 PHE QD 5.500 . 7.500 3.340 2.832 4.406 . 0 0 "[ . 1 . 2]" 1
899 1 118 ALA H 1 118 ALA HA 3.097 . 3.097 2.908 2.890 2.919 . 0 0 "[ . 1 . 2]" 1
900 1 118 ALA H 1 118 ALA MB 3.247 . 4.247 2.235 2.227 2.242 . 0 0 "[ . 1 . 2]" 1
901 1 118 ALA H 1 119 PHE H 3.600 . 3.600 3.624 3.608 3.639 0.039 5 0 "[ . 1 . 2]" 1
902 1 118 ALA HA 1 119 PHE H 2.600 . 2.600 2.604 2.585 2.615 0.015 12 0 "[ . 1 . 2]" 1
903 1 118 ALA MB 1 119 PHE H 4.368 . 5.368 3.773 3.765 3.786 . 0 0 "[ . 1 . 2]" 1
904 1 119 PHE H 1 119 PHE HA 2.992 . 2.992 2.902 2.881 2.939 . 0 0 "[ . 1 . 2]" 1
905 1 119 PHE H 1 119 PHE HB2 3.533 . 3.533 3.608 3.508 3.678 0.145 11 0 "[ . 1 . 2]" 1
906 1 119 PHE H 1 119 PHE HB3 3.646 . 3.646 2.854 2.787 2.940 . 0 0 "[ . 1 . 2]" 1
907 1 119 PHE H 1 119 PHE QD 5.000 . 7.000 4.079 3.867 4.279 . 0 0 "[ . 1 . 2]" 1
908 1 119 PHE H 1 120 LYS H 4.200 . 4.200 4.220 4.023 4.271 0.071 2 0 "[ . 1 . 2]" 1
909 1 119 PHE HA 1 120 LYS H 2.600 . 2.600 2.320 2.151 2.427 . 0 0 "[ . 1 . 2]" 1
910 1 119 PHE HB2 1 120 LYS H 4.185 . 4.185 3.962 3.797 4.236 0.051 4 0 "[ . 1 . 2]" 1
911 1 120 LYS H 1 120 LYS HB2 3.459 . 3.459 3.465 2.855 4.013 0.554 18 5 "[ - . * 1* * . + 2]" 1
912 1 120 LYS H 1 120 LYS HB3 4.007 . 4.007 3.782 3.466 4.021 0.014 12 0 "[ . 1 . 2]" 1
913 1 120 LYS H 1 120 LYS QG 4.203 . 5.203 2.748 2.445 3.082 . 0 0 "[ . 1 . 2]" 1
914 1 120 LYS HA 1 121 LEU H 2.600 . 2.600 2.415 2.300 2.645 0.045 4 0 "[ . 1 . 2]" 1
915 1 120 LYS HB2 1 121 LEU H 3.461 . 3.461 2.872 2.111 3.497 0.036 19 0 "[ . 1 . 2]" 1
916 1 120 LYS HB3 1 121 LEU H 3.703 . 3.703 3.070 2.218 3.621 . 0 0 "[ . 1 . 2]" 1
917 1 121 LEU H 1 121 LEU HB2 3.397 . 3.397 3.089 2.858 3.412 0.015 1 0 "[ . 1 . 2]" 1
918 1 121 LEU H 1 121 LEU HB3 2.907 . 2.907 2.661 2.419 2.925 0.018 18 0 "[ . 1 . 2]" 1
919 1 121 LEU H 1 122 ALA H 4.500 . 4.500 4.099 3.797 4.366 . 0 0 "[ . 1 . 2]" 1
920 1 121 LEU H 1 122 ALA MB 5.000 . 6.000 4.941 4.648 5.287 . 0 0 "[ . 1 . 2]" 1
921 1 121 LEU H 1 123 LYS H 4.500 . 4.500 4.508 3.762 4.709 0.209 13 0 "[ . 1 . 2]" 1
922 1 121 LEU HA 1 122 ALA H 2.749 . 2.749 2.246 2.172 2.484 . 0 0 "[ . 1 . 2]" 1
923 1 121 LEU HA 1 123 LYS H 4.233 . 4.233 4.161 3.918 4.310 0.077 8 0 "[ . 1 . 2]" 1
924 1 121 LEU MD1 1 122 ALA H 4.000 . 4.000 2.774 1.862 3.253 . 0 0 "[ . 1 . 2]" 1
925 1 121 LEU MD2 1 122 ALA H 4.500 . 6.000 4.559 3.442 5.022 . 0 0 "[ . 1 . 2]" 1
926 1 121 LEU MD2 1 123 LYS H 5.713 . 6.713 3.709 2.717 4.594 . 0 0 "[ . 1 . 2]" 1
927 1 121 LEU MD2 1 125 GLY H 4.636 . 5.636 3.138 2.000 4.279 . 0 0 "[ . 1 . 2]" 1
928 1 121 LEU HG 1 123 LYS H 3.067 . 3.067 2.585 2.062 3.143 0.076 15 0 "[ . 1 . 2]" 1
929 1 122 ALA H 1 122 ALA MB 3.386 . 4.386 2.278 2.174 2.575 . 0 0 "[ . 1 . 2]" 1
930 1 122 ALA H 1 123 LYS H 3.417 . 3.417 3.256 2.462 3.505 0.088 2 0 "[ . 1 . 2]" 1
931 1 122 ALA HA 1 123 LYS H 2.800 . 2.800 2.676 2.408 2.842 0.042 16 0 "[ . 1 . 2]" 1
932 1 122 ALA MB 1 123 LYS H 3.466 . 4.466 3.714 3.639 3.765 . 0 0 "[ . 1 . 2]" 1
933 1 123 LYS H 1 123 LYS HA 3.067 . 3.067 2.710 2.255 2.978 . 0 0 "[ . 1 . 2]" 1
934 1 123 LYS H 1 123 LYS QB 3.000 . 4.000 3.240 2.738 3.565 . 0 0 "[ . 1 . 2]" 1
935 1 123 LYS H 1 123 LYS QG 3.249 . 4.249 3.171 2.841 3.653 . 0 0 "[ . 1 . 2]" 1
936 1 123 LYS H 1 124 GLY H 6.000 . 6.000 4.309 4.010 4.592 . 0 0 "[ . 1 . 2]" 1
937 1 123 LYS HA 1 124 GLY H 2.727 . 2.727 2.539 2.150 2.769 0.042 6 0 "[ . 1 . 2]" 1
938 1 123 LYS HA 1 125 GLY H 3.970 . 3.970 3.788 2.858 4.158 0.188 10 0 "[ . 1 . 2]" 1
939 1 124 GLY H 1 125 GLY H 3.699 . 3.699 3.163 2.303 3.741 0.042 8 0 "[ . 1 . 2]" 1
940 1 124 GLY H 1 126 GLU H 5.000 . 5.000 4.303 3.068 5.048 0.048 8 0 "[ . 1 . 2]" 1
941 1 124 GLY HA2 1 125 GLY H 5.246 . 5.246 3.468 2.482 3.593 . 0 0 "[ . 1 . 2]" 1
942 1 124 GLY HA3 1 125 GLY H 4.171 . 4.171 2.895 2.408 3.488 . 0 0 "[ . 1 . 2]" 1
943 1 125 GLY H 1 126 GLU H 3.759 . 3.759 3.330 2.853 3.813 0.054 10 0 "[ . 1 . 2]" 1
944 1 125 GLY H 1 128 VAL MG2 6.085 . 7.085 4.176 3.576 5.025 . 0 0 "[ . 1 . 2]" 1
945 1 125 GLY HA2 1 126 GLU H 4.376 . 4.376 3.500 2.590 3.630 . 0 0 "[ . 1 . 2]" 1
946 1 125 GLY HA3 1 126 GLU H 3.805 . 3.805 2.835 2.494 3.570 . 0 0 "[ . 1 . 2]" 1
947 1 125 GLY HA3 1 128 VAL H 5.000 . 5.000 4.686 3.482 4.932 . 0 0 "[ . 1 . 2]" 1
948 1 126 GLU H 1 126 GLU HA 3.052 . 3.052 2.829 2.668 2.891 . 0 0 "[ . 1 . 2]" 1
949 1 126 GLU H 1 126 GLU HB2 3.804 . 4.804 3.574 3.489 3.622 . 0 0 "[ . 1 . 2]" 1
950 1 126 GLU H 1 126 GLU HB3 3.503 . 4.503 2.690 2.403 2.918 . 0 0 "[ . 1 . 2]" 1
951 1 126 GLU H 1 126 GLU HG2 3.341 . 3.341 2.610 2.019 3.561 0.220 11 0 "[ . 1 . 2]" 1
952 1 126 GLU H 1 126 GLU HG3 3.903 . 3.903 3.501 2.930 3.718 . 0 0 "[ . 1 . 2]" 1
953 1 126 GLU H 1 127 ASP H 3.142 . 3.142 2.766 2.556 3.150 0.008 14 0 "[ . 1 . 2]" 1
954 1 126 GLU H 1 128 VAL H 5.000 . 5.000 4.211 3.999 4.586 . 0 0 "[ . 1 . 2]" 1
955 1 126 GLU HA 1 127 ASP H 4.000 . 4.000 3.559 3.505 3.607 . 0 0 "[ . 1 . 2]" 1
956 1 126 GLU HA 1 129 ALA H 4.738 . 4.738 3.524 3.342 3.840 . 0 0 "[ . 1 . 2]" 1
957 1 126 GLU HB2 1 127 ASP H 4.092 . 5.092 3.603 3.426 3.912 . 0 0 "[ . 1 . 2]" 1
958 1 126 GLU HB3 1 127 ASP H 4.307 . 5.307 4.044 3.814 4.162 . 0 0 "[ . 1 . 2]" 1
959 1 126 GLU HG2 1 127 ASP H 4.484 . 4.484 2.307 1.966 3.179 . 0 0 "[ . 1 . 2]" 1
960 1 126 GLU HG3 1 127 ASP H 3.565 . 3.565 3.302 2.392 3.808 0.243 3 0 "[ . 1 . 2]" 1
961 1 127 ASP H 1 127 ASP HB2 3.811 . 4.811 2.994 2.270 3.652 . 0 0 "[ . 1 . 2]" 1
962 1 127 ASP H 1 127 ASP HB3 3.748 . 4.748 3.113 2.440 3.609 . 0 0 "[ . 1 . 2]" 1
963 1 127 ASP H 1 128 VAL H 3.050 . 3.050 2.571 2.414 2.844 . 0 0 "[ . 1 . 2]" 1
964 1 127 ASP H 1 129 ALA H 4.339 . 4.339 4.039 3.880 4.251 . 0 0 "[ . 1 . 2]" 1
965 1 127 ASP HA 1 128 VAL H 4.820 . 4.820 3.558 3.534 3.609 . 0 0 "[ . 1 . 2]" 1
966 1 127 ASP HA 1 130 ALA H 5.000 . 5.000 3.545 3.360 3.808 . 0 0 "[ . 1 . 2]" 1
967 1 127 ASP HB2 1 128 VAL H 4.854 . 5.854 3.028 2.403 3.863 . 0 0 "[ . 1 . 2]" 1
968 1 127 ASP HB3 1 128 VAL H 4.643 . 5.643 3.701 2.393 4.149 . 0 0 "[ . 1 . 2]" 1
969 1 128 VAL H 1 128 VAL HA 2.934 . 2.934 2.855 2.833 2.903 . 0 0 "[ . 1 . 2]" 1
970 1 128 VAL H 1 128 VAL HB 2.655 . 2.655 2.444 2.215 2.709 0.054 8 0 "[ . 1 . 2]" 1
971 1 128 VAL H 1 128 VAL MG1 4.140 . 5.140 3.749 3.669 3.782 . 0 0 "[ . 1 . 2]" 1
972 1 128 VAL H 1 128 VAL MG2 4.170 . 5.170 2.181 1.984 2.335 . 0 0 "[ . 1 . 2]" 1
973 1 128 VAL H 1 129 ALA H 3.050 . 3.050 2.733 2.439 2.843 . 0 0 "[ . 1 . 2]" 1
974 1 128 VAL HA 1 129 ALA H 4.769 . 4.769 3.602 3.549 3.640 . 0 0 "[ . 1 . 2]" 1
975 1 128 VAL HA 1 131 TYR H 3.300 . 3.300 3.311 3.223 3.350 0.050 11 0 "[ . 1 . 2]" 1
976 1 128 VAL HB 1 129 ALA H 3.263 . 3.263 2.674 2.486 2.800 . 0 0 "[ . 1 . 2]" 1
977 1 129 ALA H 1 129 ALA HA 3.146 . 3.146 2.825 2.803 2.843 . 0 0 "[ . 1 . 2]" 1
978 1 129 ALA H 1 129 ALA MB 3.027 . 4.027 2.232 2.216 2.261 . 0 0 "[ . 1 . 2]" 1
979 1 129 ALA H 1 130 ALA H 3.062 . 3.062 2.820 2.753 2.917 . 0 0 "[ . 1 . 2]" 1
980 1 129 ALA H 1 131 TYR H 5.083 . 5.083 4.187 4.107 4.253 . 0 0 "[ . 1 . 2]" 1
981 1 129 ALA HA 1 130 ALA H 5.183 . 5.183 3.610 3.591 3.626 . 0 0 "[ . 1 . 2]" 1
982 1 129 ALA HA 1 132 LEU H 3.438 . 3.438 3.434 3.336 3.473 0.035 11 0 "[ . 1 . 2]" 1
983 1 129 ALA MB 1 130 ALA H 3.669 . 4.669 2.484 2.403 2.547 . 0 0 "[ . 1 . 2]" 1
984 1 130 ALA H 1 130 ALA MB 2.962 . 3.962 2.242 2.221 2.258 . 0 0 "[ . 1 . 2]" 1
985 1 130 ALA H 1 131 TYR H 3.050 . 3.050 2.798 2.727 2.899 . 0 0 "[ . 1 . 2]" 1
986 1 130 ALA HA 1 131 TYR H 3.660 . 3.660 3.606 3.588 3.633 . 0 0 "[ . 1 . 2]" 1
987 1 130 ALA HA 1 133 ALA H 4.084 . 4.084 3.439 3.255 3.578 . 0 0 "[ . 1 . 2]" 1
988 1 130 ALA MB 1 131 TYR H 2.992 . 3.992 2.552 2.507 2.623 . 0 0 "[ . 1 . 2]" 1
989 1 131 TYR H 1 131 TYR HB2 2.800 . 2.800 2.678 2.586 2.787 . 0 0 "[ . 1 . 2]" 1
990 1 131 TYR H 1 131 TYR HB3 2.800 . 2.800 2.371 2.264 2.490 . 0 0 "[ . 1 . 2]" 1
991 1 131 TYR H 1 131 TYR QD 4.500 . 6.500 4.189 4.096 4.233 . 0 0 "[ . 1 . 2]" 1
992 1 131 TYR H 1 132 LEU H 3.050 . 3.050 2.881 2.826 2.936 . 0 0 "[ . 1 . 2]" 1
993 1 131 TYR H 1 133 ALA H 4.304 . 4.304 4.256 4.023 4.347 0.043 16 0 "[ . 1 . 2]" 1
994 1 131 TYR HB2 1 132 LEU H 4.557 . 4.557 3.965 3.897 4.048 . 0 0 "[ . 1 . 2]" 1
995 1 131 TYR HB3 1 132 LEU H 4.284 . 4.284 2.594 2.518 2.705 . 0 0 "[ . 1 . 2]" 1
996 1 131 TYR QD 1 132 LEU H 5.000 . 7.000 3.327 2.814 3.798 . 0 0 "[ . 1 . 2]" 1
997 1 131 TYR QD 1 135 VAL HB 4.000 . 6.000 4.862 3.722 5.654 . 0 0 "[ . 1 . 2]" 1
998 1 131 TYR QD 1 135 VAL MG1 5.000 . 8.000 4.983 3.726 5.561 . 0 0 "[ . 1 . 2]" 1
999 1 131 TYR QE 1 135 VAL MG1 5.000 . 8.000 4.242 3.137 4.606 . 0 0 "[ . 1 . 2]" 1
1000 1 132 LEU H 1 132 LEU HB2 3.883 . 3.883 2.380 2.217 2.508 . 0 0 "[ . 1 . 2]" 1
1001 1 132 LEU H 1 132 LEU HB3 3.276 . 3.276 3.564 3.446 3.635 0.359 11 0 "[ . 1 . 2]" 1
1002 1 132 LEU H 1 132 LEU MD1 4.234 . 5.234 3.419 3.272 3.753 . 0 0 "[ . 1 . 2]" 1
1003 1 132 LEU H 1 132 LEU MD2 4.875 . 5.875 3.621 3.291 3.799 . 0 0 "[ . 1 . 2]" 1
1004 1 132 LEU H 1 132 LEU HG 3.024 . 3.024 2.345 2.242 2.482 . 0 0 "[ . 1 . 2]" 1
1005 1 132 LEU H 1 133 ALA H 3.050 . 3.050 2.847 2.786 2.947 . 0 0 "[ . 1 . 2]" 1
1006 1 132 LEU H 1 134 SER H 5.000 . 5.000 4.250 4.100 4.592 . 0 0 "[ . 1 . 2]" 1
1007 1 132 LEU HA 1 133 ALA H 4.003 . 4.003 3.591 3.571 3.613 . 0 0 "[ . 1 . 2]" 1
1008 1 132 LEU HA 1 135 VAL H 4.765 . 4.765 3.282 3.093 3.682 . 0 0 "[ . 1 . 2]" 1
1009 1 132 LEU HB2 1 133 ALA H 4.000 . 4.000 2.680 2.440 2.914 . 0 0 "[ . 1 . 2]" 1
1010 1 132 LEU HB3 1 133 ALA H 3.720 . 3.720 3.539 3.233 3.724 0.004 10 0 "[ . 1 . 2]" 1
1011 1 132 LEU MD1 1 133 ALA H 5.000 . 6.000 4.532 4.309 4.734 . 0 0 "[ . 1 . 2]" 1
1012 1 133 ALA H 1 133 ALA HA 2.896 . 2.896 2.827 2.792 2.874 . 0 0 "[ . 1 . 2]" 1
1013 1 133 ALA H 1 133 ALA MB 2.830 . 3.830 2.238 2.218 2.267 . 0 0 "[ . 1 . 2]" 1
1014 1 133 ALA H 1 134 SER H 3.050 . 3.050 2.802 2.668 2.932 . 0 0 "[ . 1 . 2]" 1
1015 1 133 ALA H 1 135 VAL H 5.000 . 5.000 4.150 3.975 4.568 . 0 0 "[ . 1 . 2]" 1
1016 1 133 ALA MB 1 134 SER H 3.221 . 4.221 2.545 2.261 2.713 . 0 0 "[ . 1 . 2]" 1
1017 1 134 SER H 1 134 SER HA 3.000 . 3.000 2.864 2.800 2.919 . 0 0 "[ . 1 . 2]" 1
1018 1 134 SER H 1 134 SER QB 2.654 . 3.654 2.530 2.258 2.771 . 0 0 "[ . 1 . 2]" 1
1019 1 134 SER H 1 135 VAL H 3.050 . 3.050 2.685 2.528 2.871 . 0 0 "[ . 1 . 2]" 1
1020 1 134 SER H 1 135 VAL MG1 6.085 . 7.085 5.649 4.050 5.979 . 0 0 "[ . 1 . 2]" 1
1021 1 134 SER HA 1 135 VAL H 4.000 . 4.000 3.564 3.425 3.676 . 0 0 "[ . 1 . 2]" 1
1022 1 135 VAL H 1 135 VAL HA 3.000 . 3.000 2.843 2.765 2.967 . 0 0 "[ . 1 . 2]" 1
1023 1 135 VAL H 1 135 VAL HB 2.979 . 2.979 2.188 2.004 2.446 . 0 0 "[ . 1 . 2]" 1
1024 1 135 VAL H 1 135 VAL MG1 3.457 . 4.457 3.551 2.160 3.787 . 0 0 "[ . 1 . 2]" 1
1025 1 135 VAL H 1 135 VAL MG2 3.030 . 4.030 2.539 2.238 3.638 . 0 0 "[ . 1 . 2]" 1
1026 1 135 VAL H 1 136 VAL H 3.050 . 3.050 2.726 2.235 2.996 . 0 0 "[ . 1 . 2]" 1
1027 1 135 VAL HA 1 136 VAL H 3.700 . 3.700 3.572 3.374 3.638 . 0 0 "[ . 1 . 2]" 1
1028 1 135 VAL HB 1 136 VAL H 3.000 . 3.000 2.990 2.739 3.319 0.319 4 0 "[ . 1 . 2]" 1
1029 1 135 VAL MG1 1 136 VAL H 4.259 . 5.259 3.185 1.714 3.807 . 0 0 "[ . 1 . 2]" 1
1030 1 136 VAL H 1 136 VAL HA 2.930 . 2.930 2.833 2.456 2.931 0.001 3 0 "[ . 1 . 2]" 1
1031 1 136 VAL H 1 136 VAL HB 2.600 . 2.600 2.550 2.052 2.630 0.030 14 0 "[ . 1 . 2]" 1
1032 1 136 VAL H 1 136 VAL MG1 3.910 . 4.910 2.862 2.029 3.818 . 0 0 "[ . 1 . 2]" 1
1033 1 136 VAL H 1 136 VAL MG2 2.854 . 3.854 3.090 1.989 3.843 . 0 0 "[ . 1 . 2]" 1
1034 1 136 VAL H 1 137 LYS H 4.000 . 4.000 4.036 3.563 4.323 0.323 2 0 "[ . 1 . 2]" 1
1035 1 136 VAL HA 1 137 LYS H 2.600 . 2.600 2.217 1.958 2.462 . 0 0 "[ . 1 . 2]" 1
1036 1 136 VAL HB 1 137 LYS H 4.500 . 4.500 4.462 4.080 4.551 0.051 4 0 "[ . 1 . 2]" 1
1037 1 136 VAL MG1 1 137 LYS H 4.358 . 5.358 3.991 3.183 4.412 . 0 0 "[ . 1 . 2]" 1
1038 1 136 VAL MG2 1 137 LYS H 4.500 . 5.500 3.880 2.768 4.447 . 0 0 "[ . 1 . 2]" 1
1039 1 137 LYS H 1 137 LYS HA 3.000 . 3.000 2.896 2.244 3.001 0.001 9 0 "[ . 1 . 2]" 1
1040 1 137 LYS H 1 137 LYS HB3 3.067 . 4.067 3.428 2.944 4.084 0.017 3 0 "[ . 1 . 2]" 1
1041 1 137 LYS H 1 137 LYS QG 3.689 . 4.689 2.705 1.995 4.155 . 0 0 "[ . 1 . 2]" 1
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