NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
590273 |
2mp3   |
19962 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mp3
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 700
_Distance_constraint_stats_list.Viol_count 1107
_Distance_constraint_stats_list.Viol_total 1254.462
_Distance_constraint_stats_list.Viol_max 1.835
_Distance_constraint_stats_list.Viol_rms 0.1735
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0717
_Distance_constraint_stats_list.Viol_average_violations_only 0.2266
_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 8 ALA 0.941 0.211 4 0 "[ .]"
1 9 THR 8.608 1.766 5 4 "[**- +]"
1 10 LYS 2.170 0.316 3 0 "[ .]"
1 11 ALA 4.779 1.766 5 2 "[ - +]"
1 12 VAL 1.551 0.293 4 0 "[ .]"
1 13 CYS 0.000 0.000 . 0 "[ .]"
1 14 VAL 0.941 0.454 4 0 "[ .]"
1 15 LEU 0.715 0.211 4 0 "[ .]"
1 16 LYS 3.282 0.379 1 0 "[ .]"
1 17 GLY 1.759 0.362 2 0 "[ .]"
1 18 ASP 2.304 0.529 4 2 "[- +.]"
1 19 GLY 0.000 0.000 . 0 "[ .]"
1 21 VAL 3.041 0.359 5 0 "[ .]"
1 22 GLN 7.102 0.529 4 2 "[- +.]"
1 23 GLY 1.952 0.368 4 0 "[ .]"
1 24 ILE 5.539 0.711 5 1 "[ +]"
1 25 ILE 4.024 0.359 5 0 "[ .]"
1 26 ASN 3.624 0.269 5 0 "[ .]"
1 27 PHE 2.692 0.350 5 0 "[ .]"
1 28 GLU 5.470 0.466 3 0 "[ .]"
1 29 GLN 1.815 0.837 5 1 "[ +]"
1 30 LYS 4.744 0.668 4 1 "[ +.]"
1 31 GLU 2.591 0.326 4 0 "[ .]"
1 32 SER 3.414 0.221 3 0 "[ .]"
1 33 ASN 3.923 0.341 5 0 "[ .]"
1 34 GLY 1.650 0.208 2 0 "[ .]"
1 36 VAL 2.210 0.341 5 0 "[ .]"
1 37 LYS 3.646 0.461 5 0 "[ .]"
1 38 VAL 6.397 0.567 2 2 "[ + -]"
1 39 TRP 0.935 0.192 2 0 "[ .]"
1 40 GLY 0.000 0.000 . 0 "[ .]"
1 41 SER 10.185 1.183 2 3 "[ + *-]"
1 42 ILE 4.667 1.183 2 3 "[ + -*]"
1 43 LYS 4.941 0.466 1 0 "[ .]"
1 44 GLY 0.633 0.138 1 0 "[ .]"
1 45 LEU 4.138 1.317 5 2 "[ - +]"
1 46 THR 1.010 0.089 3 0 "[ .]"
1 47 GLU 6.875 0.551 1 2 "[+ -.]"
1 48 GLY 1.811 0.274 2 0 "[ .]"
1 49 LEU 6.577 0.995 2 1 "[ + .]"
1 50 HIS 6.522 0.844 5 2 "[ - +]"
1 51 GLY 3.801 0.440 3 0 "[ .]"
1 52 PHE 4.176 0.687 2 5 [*+*-*]
1 53 HIS 13.748 1.141 3 5 [*-+**]
1 54 VAL 0.886 0.406 2 0 "[ .]"
1 55 HIS 0.972 0.380 2 0 "[ .]"
1 56 GLU 5.748 0.724 3 1 "[ + .]"
1 57 PHE 0.789 0.352 4 0 "[ .]"
1 58 GLY 0.258 0.091 3 0 "[ .]"
1 59 ASP 1.941 0.456 2 0 "[ .]"
1 60 ASN 2.959 0.711 5 2 "[ - +]"
1 61 THR 5.543 1.204 4 3 "[ - +*]"
1 62 ALA 2.357 0.562 5 1 "[ +]"
1 63 GLY 0.168 0.049 3 0 "[ .]"
1 64 CYS 0.423 0.121 4 0 "[ .]"
1 65 THR 2.218 0.371 3 0 "[ .]"
1 66 SER 0.922 0.177 4 0 "[ .]"
1 67 ALA 1.375 0.371 3 0 "[ .]"
1 68 GLY 0.383 0.110 5 0 "[ .]"
1 70 HIS 0.277 0.134 4 0 "[ .]"
1 71 PHE 1.805 0.657 4 1 "[ +.]"
1 72 ASN 0.856 0.134 4 0 "[ .]"
1 74 LEU 6.274 1.507 1 1 "[+ .]"
1 75 SER 4.482 0.927 5 2 "[- +]"
1 76 ARG 2.594 0.376 5 0 "[ .]"
1 77 LYS 3.798 0.885 4 2 "[ - +.]"
1 78 HIS 0.851 0.396 1 0 "[ .]"
1 79 GLY 0.692 0.209 4 0 "[ .]"
1 80 GLY 1.683 0.458 2 0 "[ .]"
1 82 LYS 3.553 0.945 4 2 "[ -+.]"
1 83 ASP 0.000 0.000 . 0 "[ .]"
1 84 GLU 1.253 0.196 3 0 "[ .]"
1 85 GLU 6.554 0.824 5 5 [-***+]
1 86 ARG 7.836 0.601 1 3 "[+ -*.]"
1 87 HIS 7.782 0.547 3 5 [-*+**]
1 88 VAL 5.663 0.830 2 1 "[ + .]"
1 89 GLY 6.423 0.921 2 2 "[-+ .]"
1 90 ASP 2.762 0.830 2 1 "[ + .]"
1 91 LEU 4.930 0.921 2 2 "[-+ .]"
1 92 GLY 3.318 0.805 5 1 "[ +]"
1 93 ASN 6.666 1.211 4 5 [**-+*]
1 94 VAL 5.306 0.708 1 4 "[+ *-*]"
1 95 THR 13.062 1.427 3 4 "[* +-*]"
1 96 ALA 5.647 1.211 4 5 [**-+*]
1 97 ASP 2.138 0.387 3 0 "[ .]"
1 98 LYS 0.773 0.291 5 0 "[ .]"
1 99 ASP 8.859 0.944 5 4 "[* *-+]"
1 100 GLY 4.656 0.861 3 3 "[ *+-.]"
1 101 VAL 9.926 1.835 5 5 [***-+]
1 102 ALA 7.101 0.861 3 5 [**+-*]
1 103 ASP 2.413 0.829 5 1 "[ +]"
1 104 VAL 10.267 1.835 5 5 [***-+]
1 105 SER 2.714 0.491 2 0 "[ .]"
1 106 ILE 1.384 0.200 5 0 "[ .]"
1 107 GLU 1.408 0.272 3 0 "[ .]"
1 108 ASP 1.454 0.272 3 0 "[ .]"
1 109 SER 3.332 0.248 3 0 "[ .]"
1 110 VAL 2.302 0.248 3 0 "[ .]"
1 111 ILE 3.139 0.242 5 0 "[ .]"
1 112 SER 2.451 0.445 4 0 "[ .]"
1 113 LEU 0.870 0.176 4 0 "[ .]"
1 114 SER 2.808 0.498 3 0 "[ .]"
1 115 GLY 0.000 0.000 . 0 "[ .]"
1 116 ASP 2.371 0.291 3 0 "[ .]"
1 117 HIS 2.366 0.291 3 0 "[ .]"
1 118 CYS 1.109 0.349 4 0 "[ .]"
1 119 ILE 2.518 0.620 4 1 "[ +.]"
1 120 ILE 2.788 0.349 4 0 "[ .]"
1 121 GLY 0.863 0.202 5 0 "[ .]"
1 122 ARG 5.621 0.818 3 2 "[ +-.]"
1 123 THR 3.100 1.224 4 2 "[- +.]"
1 124 LEU 5.776 1.513 3 4 "[ -+**]"
1 125 VAL 6.810 1.513 3 4 "[ -+**]"
1 126 VAL 2.862 0.386 2 0 "[ .]"
1 127 HIS 6.380 1.154 3 3 "[ *+ -]"
1 128 GLU 5.055 0.814 1 3 "[+- *]"
1 129 LYS 1.700 0.356 3 0 "[ .]"
1 130 ALA 2.010 0.400 1 0 "[ .]"
1 131 ASP 3.388 0.591 5 2 "[ - +]"
1 132 ASP 0.548 0.429 1 0 "[ .]"
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 8 ALA H 1 9 THR H . . 4.100 4.259 4.080 4.311 0.211 4 0 "[ .]" 1
2 1 8 ALA H 1 11 ALA MB . . 6.000 5.768 4.760 6.069 0.069 4 0 "[ .]" 1
3 1 8 ALA HA 1 9 THR H . . 3.200 2.650 2.189 2.780 . 0 0 "[ .]" 1
4 1 8 ALA MB 1 9 THR H . . 3.500 2.338 2.012 3.481 . 0 0 "[ .]" 1
5 1 9 THR H 1 9 THR HB . . 3.700 3.636 3.403 3.820 0.120 4 0 "[ .]" 1
6 1 9 THR H 1 9 THR HG1 . . 3.600 4.013 2.660 4.935 1.335 1 3 "[+*- .]" 1
7 1 9 THR H 1 10 LYS H . . 3.600 1.903 1.869 1.997 . 0 0 "[ .]" 1
8 1 9 THR H 1 10 LYS HA . . 3.875 4.060 3.951 4.191 0.316 3 0 "[ .]" 1
9 1 9 THR H 1 11 ALA H . . 4.200 3.253 2.582 4.143 . 0 0 "[ .]" 1
10 1 9 THR H 1 11 ALA MB . . 3.500 4.198 3.422 5.266 1.766 5 2 "[ - +]" 1
11 1 9 THR HA 1 10 LYS H . . 3.600 3.304 2.993 3.526 . 0 0 "[ .]" 1
12 1 9 THR HB 1 10 LYS H . . 4.700 4.024 3.284 4.544 . 0 0 "[ .]" 1
13 1 9 THR HG1 1 10 LYS H . . 5.000 4.101 3.701 4.465 . 0 0 "[ .]" 1
14 1 10 LYS H 1 10 LYS HB3 . . 4.200 3.618 3.377 3.703 . 0 0 "[ .]" 1
15 1 10 LYS H 1 10 LYS HD2 . . 6.000 2.659 2.165 3.145 . 0 0 "[ .]" 1
16 1 10 LYS H 1 10 LYS HG3 . . 4.900 3.028 2.550 4.455 . 0 0 "[ .]" 1
17 1 10 LYS H 1 11 ALA H . . 5.600 2.033 1.796 2.355 . 0 0 "[ .]" 1
18 1 10 LYS H 1 12 VAL H . . 3.800 3.815 3.587 4.023 0.223 2 0 "[ .]" 1
19 1 10 LYS HA 1 11 ALA H . . 4.300 3.181 2.904 3.549 . 0 0 "[ .]" 1
20 1 10 LYS HA 1 12 VAL H . . 3.500 3.548 3.113 3.793 0.293 4 0 "[ .]" 1
21 1 10 LYS HB2 1 11 ALA H . . 6.000 3.660 2.487 4.521 . 0 0 "[ .]" 1
22 1 10 LYS HB3 1 11 ALA H . . 5.500 4.251 3.722 4.640 . 0 0 "[ .]" 1
23 1 10 LYS HD2 1 11 ALA H . . 4.100 3.760 3.598 4.178 0.078 1 0 "[ .]" 1
24 1 10 LYS HG3 1 11 ALA H . . 6.000 4.470 4.168 5.289 . 0 0 "[ .]" 1
25 1 11 ALA H 1 12 VAL HB . . 5.200 4.962 4.710 5.232 0.032 5 0 "[ .]" 1
26 1 11 ALA H 1 14 VAL H . . 5.290 5.368 4.896 5.744 0.454 4 0 "[ .]" 1
27 1 11 ALA MB 1 12 VAL H . . 3.700 3.046 2.809 3.141 . 0 0 "[ .]" 1
28 1 12 VAL H 1 12 VAL HB . . 3.600 2.731 2.624 2.813 . 0 0 "[ .]" 1
29 1 12 VAL H 1 13 CYS H . . 3.600 2.202 1.890 2.441 . 0 0 "[ .]" 1
30 1 12 VAL HA 1 13 CYS H . . 3.800 3.548 3.514 3.562 . 0 0 "[ .]" 1
31 1 12 VAL HB 1 13 CYS H . . 4.400 2.487 2.387 2.740 . 0 0 "[ .]" 1
32 1 12 VAL HB 1 15 LEU H . . 6.000 5.547 4.595 6.211 0.211 4 0 "[ .]" 1
33 1 13 CYS HA 1 14 VAL H . . 3.600 2.555 2.340 3.299 . 0 0 "[ .]" 1
34 1 14 VAL H 1 15 LEU H . . 4.200 2.694 1.887 3.404 . 0 0 "[ .]" 1
35 1 14 VAL HA 1 15 LEU H . . 5.900 2.980 2.585 3.513 . 0 0 "[ .]" 1
36 1 15 LEU H 1 15 LEU HB2 . . 4.000 2.600 2.111 3.565 . 0 0 "[ .]" 1
37 1 15 LEU H 1 16 LYS HE3 . . 6.000 5.258 2.826 6.005 0.005 2 0 "[ .]" 1
38 1 15 LEU HA 1 16 LYS H . . 3.400 3.408 3.382 3.430 0.030 3 0 "[ .]" 1
39 1 15 LEU HA 1 18 ASP H . . 4.400 4.466 4.407 4.501 0.101 4 0 "[ .]" 1
40 1 15 LEU HB3 1 16 LYS H . . 4.300 3.336 3.069 4.071 . 0 0 "[ .]" 1
41 1 16 LYS H 1 16 LYS HB2 . . 4.000 2.747 2.287 3.667 . 0 0 "[ .]" 1
42 1 16 LYS H 1 16 LYS HB3 . . 3.700 3.236 2.607 3.670 . 0 0 "[ .]" 1
43 1 16 LYS H 1 16 LYS QD . . 4.000 3.774 2.698 4.379 0.379 1 0 "[ .]" 1
44 1 16 LYS H 1 16 LYS HE3 . . 4.600 3.933 2.114 4.764 0.164 5 0 "[ .]" 1
45 1 16 LYS H 1 16 LYS HG2 . . 4.400 3.882 2.906 4.709 0.309 1 0 "[ .]" 1
46 1 16 LYS H 1 17 GLY HA3 . . 4.200 4.552 4.546 4.562 0.362 2 0 "[ .]" 1
47 1 17 GLY H 1 19 GLY H . . 6.000 4.765 4.614 4.811 . 0 0 "[ .]" 1
48 1 18 ASP H 1 22 GLN H . . 5.800 6.179 5.723 6.329 0.529 4 2 "[- +.]" 1
49 1 19 GLY H 1 21 VAL H . . 6.000 4.790 2.686 5.792 . 0 0 "[ .]" 1
50 1 21 VAL H 1 21 VAL HB . . 3.400 3.457 2.629 3.672 0.272 2 0 "[ .]" 1
51 1 21 VAL H 1 22 GLN H . . 3.500 2.315 2.254 2.476 . 0 0 "[ .]" 1
52 1 21 VAL H 1 22 GLN HA . . 4.900 4.968 4.923 5.093 0.193 3 0 "[ .]" 1
53 1 21 VAL H 1 23 GLY H . . 4.700 4.092 4.067 4.123 . 0 0 "[ .]" 1
54 1 21 VAL H 1 24 ILE HB . . 5.400 5.190 5.049 5.400 0.000 5 0 "[ .]" 1
55 1 21 VAL H 1 25 ILE H . . 5.400 5.672 5.646 5.759 0.359 5 0 "[ .]" 1
56 1 21 VAL HA 1 22 GLN H . . 3.700 3.403 3.390 3.410 . 0 0 "[ .]" 1
57 1 21 VAL HA 1 23 GLY H . . 4.900 4.842 4.560 4.977 0.077 2 0 "[ .]" 1
58 1 21 VAL HA 1 24 ILE H . . 5.200 3.988 3.807 4.093 . 0 0 "[ .]" 1
59 1 21 VAL HA 1 25 ILE H . . 6.000 4.049 3.754 4.159 . 0 0 "[ .]" 1
60 1 21 VAL HB 1 25 ILE H . . 6.000 5.672 5.466 6.067 0.067 3 0 "[ .]" 1
61 1 22 GLN H 1 22 GLN QG . . 3.700 4.085 4.046 4.109 0.409 4 0 "[ .]" 1
62 1 22 GLN H 1 23 GLY H . . 6.000 2.276 2.192 2.317 . 0 0 "[ .]" 1
63 1 22 GLN H 1 23 GLY HA2 . . 4.600 4.947 4.905 4.968 0.368 4 0 "[ .]" 1
64 1 22 GLN H 1 23 GLY HA3 . . 4.800 4.536 4.514 4.548 . 0 0 "[ .]" 1
65 1 22 GLN H 1 24 ILE H . . 4.500 3.556 3.546 3.568 . 0 0 "[ .]" 1
66 1 22 GLN H 1 25 ILE HG12 . . 5.900 5.437 5.385 5.475 . 0 0 "[ .]" 1
67 1 22 GLN HA 1 24 ILE H . . 5.000 4.382 4.304 4.417 . 0 0 "[ .]" 1
68 1 22 GLN HA 1 25 ILE H . . 5.500 3.534 3.459 3.732 . 0 0 "[ .]" 1
69 1 22 GLN HA 1 26 ASN H . . 5.600 4.631 4.576 4.690 . 0 0 "[ .]" 1
70 1 22 GLN HB3 1 24 ILE H . . 4.615 4.840 4.800 4.924 0.309 3 0 "[ .]" 1
71 1 23 GLY H 1 23 GLY HA3 . . 3.100 2.305 2.296 2.328 . 0 0 "[ .]" 1
72 1 23 GLY H 1 24 ILE H . . 4.300 2.563 2.385 2.641 . 0 0 "[ .]" 1
73 1 23 GLY H 1 24 ILE HB . . 6.000 4.836 4.622 4.981 . 0 0 "[ .]" 1
74 1 23 GLY H 1 25 ILE H . . 4.900 3.898 3.860 3.941 . 0 0 "[ .]" 1
75 1 24 ILE H 1 24 ILE HB . . 4.200 2.498 2.430 2.539 . 0 0 "[ .]" 1
76 1 24 ILE H 1 24 ILE QG . . 3.400 2.641 2.214 4.111 0.711 5 1 "[ +]" 1
77 1 24 ILE H 1 25 ILE H . . 5.400 2.344 2.330 2.358 . 0 0 "[ .]" 1
78 1 24 ILE H 1 25 ILE HA . . 4.900 4.951 4.941 4.971 0.071 3 0 "[ .]" 1
79 1 24 ILE H 1 25 ILE HB . . 4.200 4.185 4.161 4.220 0.020 3 0 "[ .]" 1
80 1 24 ILE H 1 27 PHE H . . 5.195 4.580 4.500 4.644 . 0 0 "[ .]" 1
81 1 24 ILE H 1 27 PHE HB2 . . 6.000 4.482 4.448 4.524 . 0 0 "[ .]" 1
82 1 24 ILE H 1 28 GLU H . . 5.100 5.530 5.490 5.566 0.466 3 0 "[ .]" 1
83 1 24 ILE HA 1 25 ILE H . . 4.000 3.455 3.434 3.490 . 0 0 "[ .]" 1
84 1 24 ILE HA 1 26 ASN H . . 4.600 4.064 4.028 4.103 . 0 0 "[ .]" 1
85 1 24 ILE HB 1 25 ILE H . . 3.800 3.183 2.878 3.822 0.022 5 0 "[ .]" 1
86 1 24 ILE HB 1 27 PHE H . . 5.085 5.335 5.296 5.435 0.350 5 0 "[ .]" 1
87 1 24 ILE QG 1 25 ILE H . . 4.600 4.121 4.073 4.255 . 0 0 "[ .]" 1
88 1 25 ILE H 1 25 ILE HB . . 3.400 2.132 2.103 2.181 . 0 0 "[ .]" 1
89 1 25 ILE H 1 25 ILE HG12 . . 3.600 3.240 2.975 3.417 . 0 0 "[ .]" 1
90 1 25 ILE H 1 26 ASN H . . 4.300 2.626 2.620 2.632 . 0 0 "[ .]" 1
91 1 25 ILE H 1 26 ASN HA . . 5.000 5.265 5.261 5.269 0.269 5 0 "[ .]" 1
92 1 25 ILE H 1 26 ASN HB2 . . 4.545 4.584 4.565 4.598 0.053 1 0 "[ .]" 1
93 1 25 ILE H 1 26 ASN HB3 . . 5.915 5.942 5.924 5.981 0.066 4 0 "[ .]" 1
94 1 25 ILE H 1 27 PHE HB2 . . 4.600 4.727 4.677 4.775 0.175 3 0 "[ .]" 1
95 1 25 ILE HA 1 27 PHE H . . 4.700 4.390 4.345 4.415 . 0 0 "[ .]" 1
96 1 26 ASN H 1 26 ASN HB2 . . 3.500 2.204 2.195 2.208 . 0 0 "[ .]" 1
97 1 26 ASN H 1 26 ASN HB3 . . 3.400 3.368 3.346 3.406 0.006 4 0 "[ .]" 1
98 1 26 ASN H 1 27 PHE H . . 3.400 2.182 2.177 2.196 . 0 0 "[ .]" 1
99 1 26 ASN H 1 27 PHE HA . . 4.700 4.862 4.856 4.874 0.174 3 0 "[ .]" 1
100 1 26 ASN H 1 27 PHE HB2 . . 4.200 4.066 4.007 4.115 . 0 0 "[ .]" 1
101 1 26 ASN H 1 28 GLU H . . 4.000 3.847 3.816 3.867 . 0 0 "[ .]" 1
102 1 26 ASN HA 1 27 PHE H . . 3.700 3.448 3.444 3.451 . 0 0 "[ .]" 1
103 1 26 ASN HA 1 28 GLU H . . 4.200 4.358 4.322 4.374 0.174 5 0 "[ .]" 1
104 1 26 ASN HB2 1 27 PHE H . . 3.800 3.326 3.288 3.340 . 0 0 "[ .]" 1
105 1 26 ASN HB2 1 30 LYS H . . 5.800 5.873 5.834 5.940 0.140 4 0 "[ .]" 1
106 1 26 ASN HB3 1 27 PHE H . . 3.800 3.485 3.450 3.531 . 0 0 "[ .]" 1
107 1 27 PHE H 1 27 PHE HB2 . . 2.900 2.185 2.141 2.216 . 0 0 "[ .]" 1
108 1 27 PHE H 1 28 GLU H . . 3.200 2.380 2.361 2.397 . 0 0 "[ .]" 1
109 1 27 PHE H 1 30 LYS H . . 5.100 4.506 4.498 4.519 . 0 0 "[ .]" 1
110 1 27 PHE HB2 1 28 GLU H . . 4.700 2.973 2.899 3.090 . 0 0 "[ .]" 1
111 1 28 GLU H 1 28 GLU HB2 . . 3.600 2.553 2.487 2.716 . 0 0 "[ .]" 1
112 1 28 GLU H 1 28 GLU HB3 . . 3.700 2.624 2.473 2.698 . 0 0 "[ .]" 1
113 1 28 GLU H 1 28 GLU QG . . 3.700 4.008 3.980 4.073 0.373 5 0 "[ .]" 1
114 1 28 GLU H 1 29 GLN H . . 3.900 2.361 2.353 2.371 . 0 0 "[ .]" 1
115 1 28 GLU H 1 32 SER HB2 . . 5.900 6.098 6.086 6.121 0.221 3 0 "[ .]" 1
116 1 29 GLN H 1 29 GLN HA . . 2.900 2.930 2.928 2.932 0.032 4 0 "[ .]" 1
117 1 29 GLN H 1 29 GLN HB2 . . 3.400 2.689 2.317 3.698 0.298 4 0 "[ .]" 1
118 1 29 GLN H 1 29 GLN HB3 . . 3.400 3.195 2.566 3.580 0.180 1 0 "[ .]" 1
119 1 29 GLN H 1 29 GLN HG3 . . 3.600 3.216 2.298 4.437 0.837 5 1 "[ +]" 1
120 1 29 GLN H 1 30 LYS HB2 . . 4.800 4.250 4.193 4.300 . 0 0 "[ .]" 1
121 1 29 GLN H 1 32 SER H . . 5.600 4.655 4.584 4.705 . 0 0 "[ .]" 1
122 1 30 LYS H 1 30 LYS HA . . 3.000 2.878 2.846 2.893 . 0 0 "[ .]" 1
123 1 30 LYS H 1 30 LYS HB2 . . 3.200 2.364 2.315 2.397 . 0 0 "[ .]" 1
124 1 30 LYS H 1 30 LYS HB3 . . 3.315 3.588 3.559 3.598 0.283 5 0 "[ .]" 1
125 1 30 LYS H 1 30 LYS HD3 . . 4.300 4.397 4.189 4.968 0.668 4 1 "[ +.]" 1
126 1 30 LYS H 1 30 LYS HG3 . . 3.500 3.564 2.638 3.828 0.328 2 0 "[ .]" 1
127 1 30 LYS H 1 31 GLU HB2 . . 4.385 4.469 4.434 4.495 0.110 3 0 "[ .]" 1
128 1 30 LYS H 1 32 SER H . . 4.600 3.780 3.725 3.818 . 0 0 "[ .]" 1
129 1 30 LYS H 1 33 ASN H . . 5.755 5.464 5.082 5.574 . 0 0 "[ .]" 1
130 1 30 LYS H 1 34 GLY H . . 5.200 5.268 5.075 5.374 0.174 1 0 "[ .]" 1
131 1 30 LYS HB2 1 31 GLU H . . 3.500 2.762 2.729 2.822 . 0 0 "[ .]" 1
132 1 30 LYS HB2 1 32 SER H . . 4.700 4.754 4.741 4.794 0.094 5 0 "[ .]" 1
133 1 30 LYS HB3 1 31 GLU H . . 5.000 3.653 3.552 3.756 . 0 0 "[ .]" 1
134 1 31 GLU H 1 31 GLU HB2 . . 3.600 2.291 2.177 2.362 . 0 0 "[ .]" 1
135 1 31 GLU H 1 31 GLU HB3 . . 3.500 2.959 2.841 3.164 . 0 0 "[ .]" 1
136 1 31 GLU H 1 31 GLU QG . . 3.600 3.892 3.765 3.926 0.326 4 0 "[ .]" 1
137 1 31 GLU H 1 32 SER H . . 3.700 2.561 2.518 2.602 . 0 0 "[ .]" 1
138 1 31 GLU H 1 32 SER HB2 . . 4.200 4.237 4.217 4.257 0.057 4 0 "[ .]" 1
139 1 31 GLU HA 1 32 SER H . . 3.100 3.183 3.155 3.248 0.148 1 0 "[ .]" 1
140 1 31 GLU HA 1 34 GLY H . . 6.000 4.034 3.936 4.116 . 0 0 "[ .]" 1
141 1 31 GLU HB3 1 32 SER H . . 3.800 3.781 3.619 3.869 0.069 3 0 "[ .]" 1
142 1 32 SER H 1 32 SER HA . . 3.100 2.948 2.947 2.949 . 0 0 "[ .]" 1
143 1 32 SER H 1 32 SER HB2 . . 3.200 2.446 2.423 2.466 . 0 0 "[ .]" 1
144 1 32 SER H 1 33 ASN H . . 3.600 2.199 2.076 2.262 . 0 0 "[ .]" 1
145 1 32 SER H 1 33 ASN HA . . 4.700 4.797 4.727 4.835 0.135 3 0 "[ .]" 1
146 1 32 SER H 1 34 GLY H . . 6.000 3.217 3.030 3.433 . 0 0 "[ .]" 1
147 1 32 SER HA 1 33 ASN H . . 3.100 3.138 3.104 3.222 0.122 1 0 "[ .]" 1
148 1 32 SER HA 1 34 GLY H . . 6.000 4.946 4.896 4.994 . 0 0 "[ .]" 1
149 1 32 SER HB2 1 33 ASN H . . 3.700 3.853 3.731 3.906 0.206 3 0 "[ .]" 1
150 1 33 ASN H 1 33 ASN HA . . 3.100 2.832 2.775 2.925 . 0 0 "[ .]" 1
151 1 33 ASN H 1 33 ASN HB2 . . 3.200 3.025 2.689 3.143 . 0 0 "[ .]" 1
152 1 33 ASN H 1 33 ASN HB3 . . 3.500 3.659 3.521 3.757 0.257 5 0 "[ .]" 1
153 1 33 ASN H 1 34 GLY H . . 4.100 1.870 1.834 1.924 . 0 0 "[ .]" 1
154 1 33 ASN H 1 34 GLY HA3 . . 4.300 3.977 3.942 4.008 . 0 0 "[ .]" 1
155 1 33 ASN H 1 36 VAL H . . 4.100 4.321 4.135 4.441 0.341 5 0 "[ .]" 1
156 1 33 ASN HA 1 34 GLY H . . 3.400 3.517 3.493 3.529 0.129 3 0 "[ .]" 1
157 1 33 ASN HB3 1 34 GLY H . . 4.100 3.132 2.920 3.475 . 0 0 "[ .]" 1
158 1 34 GLY H 1 38 VAL H . . 5.000 5.120 5.034 5.208 0.208 2 0 "[ .]" 1
159 1 36 VAL H 1 36 VAL HB . . 3.500 2.818 2.664 2.950 . 0 0 "[ .]" 1
160 1 36 VAL H 1 37 LYS HA . . 4.582 4.584 4.461 4.802 0.219 1 0 "[ .]" 1
161 1 36 VAL H 1 39 TRP H . . 3.800 3.797 3.549 3.927 0.127 1 0 "[ .]" 1
162 1 36 VAL HA 1 38 VAL H . . 4.800 4.904 4.828 5.060 0.260 1 0 "[ .]" 1
163 1 36 VAL HA 1 39 TRP H . . 5.200 4.407 3.818 4.769 . 0 0 "[ .]" 1
164 1 36 VAL HB 1 38 VAL H . . 4.700 4.613 4.483 4.731 0.031 5 0 "[ .]" 1
165 1 37 LYS H 1 37 LYS HD2 . . 6.000 3.755 3.310 4.622 . 0 0 "[ .]" 1
166 1 37 LYS H 1 37 LYS HG3 . . 4.000 3.696 3.408 4.461 0.461 5 0 "[ .]" 1
167 1 37 LYS H 1 38 VAL H . . 3.500 2.190 2.023 2.687 . 0 0 "[ .]" 1
168 1 37 LYS H 1 38 VAL HB . . 5.800 4.427 4.137 4.867 . 0 0 "[ .]" 1
169 1 37 LYS HA 1 38 VAL H . . 3.200 3.514 3.488 3.557 0.357 5 0 "[ .]" 1
170 1 37 LYS HA 1 41 SER H . . 4.900 3.153 2.160 3.826 . 0 0 "[ .]" 1
171 1 37 LYS HB2 1 38 VAL H . . 3.700 3.103 2.844 3.767 0.067 5 0 "[ .]" 1
172 1 37 LYS HB3 1 39 TRP H . . 4.705 4.832 4.639 4.897 0.192 2 0 "[ .]" 1
173 1 37 LYS HD2 1 38 VAL H . . 4.800 4.749 4.472 4.820 0.020 4 0 "[ .]" 1
174 1 37 LYS HG3 1 38 VAL H . . 4.700 4.791 4.718 4.843 0.143 2 0 "[ .]" 1
175 1 38 VAL H 1 38 VAL HB . . 3.200 2.545 2.359 2.688 . 0 0 "[ .]" 1
176 1 38 VAL H 1 40 GLY H . . 6.000 4.732 4.345 4.994 . 0 0 "[ .]" 1
177 1 38 VAL H 1 41 SER HB2 . . 4.990 5.388 5.197 5.557 0.567 2 2 "[ + -]" 1
178 1 38 VAL H 1 41 SER HB3 . . 4.325 4.544 4.489 4.642 0.317 2 0 "[ .]" 1
179 1 39 TRP HB2 1 40 GLY H . . 6.000 3.630 3.008 4.529 . 0 0 "[ .]" 1
180 1 40 GLY H 1 41 SER HA . . 6.000 4.327 4.191 4.516 . 0 0 "[ .]" 1
181 1 40 GLY H 1 43 LYS QD . . 6.000 4.669 3.469 5.755 . 0 0 "[ .]" 1
182 1 40 GLY HA3 1 43 LYS H . . 5.100 4.752 4.715 4.843 . 0 0 "[ .]" 1
183 1 41 SER H 1 41 SER HB2 . . 3.200 2.675 2.615 2.717 . 0 0 "[ .]" 1
184 1 41 SER H 1 41 SER HB3 . . 3.400 2.500 2.468 2.563 . 0 0 "[ .]" 1
185 1 41 SER H 1 42 ILE H . . 3.500 2.677 2.648 2.699 . 0 0 "[ .]" 1
186 1 41 SER H 1 42 ILE HB . . 4.900 5.644 4.999 6.083 1.183 2 3 "[ + -*]" 1
187 1 41 SER H 1 42 ILE HG12 . . 4.600 4.120 3.646 4.812 0.212 1 0 "[ .]" 1
188 1 41 SER H 1 42 ILE HG13 . . 4.400 4.260 3.996 4.419 0.019 4 0 "[ .]" 1
189 1 41 SER H 1 43 LYS H . . 3.800 3.484 3.457 3.497 . 0 0 "[ .]" 1
190 1 41 SER H 1 45 LEU H . . 4.200 4.391 4.360 4.404 0.204 1 0 "[ .]" 1
191 1 41 SER H 1 45 LEU HB2 . . 4.800 4.764 4.733 4.793 . 0 0 "[ .]" 1
192 1 41 SER HA 1 42 ILE H . . 4.200 3.569 3.568 3.570 . 0 0 "[ .]" 1
193 1 41 SER HB2 1 45 LEU H . . 4.260 4.287 4.262 4.320 0.060 4 0 "[ .]" 1
194 1 41 SER HB3 1 42 ILE H . . 4.300 2.126 2.090 2.157 . 0 0 "[ .]" 1
195 1 41 SER HB3 1 43 LYS H . . 4.000 4.369 4.346 4.385 0.385 3 0 "[ .]" 1
196 1 42 ILE H 1 42 ILE HB . . 3.700 3.300 2.847 3.599 . 0 0 "[ .]" 1
197 1 42 ILE H 1 42 ILE HG12 . . 4.100 2.094 1.924 2.341 . 0 0 "[ .]" 1
198 1 42 ILE H 1 42 ILE HG13 . . 4.000 2.513 1.998 2.863 . 0 0 "[ .]" 1
199 1 42 ILE H 1 43 LYS H . . 3.700 2.699 2.696 2.704 . 0 0 "[ .]" 1
200 1 42 ILE H 1 45 LEU H . . 4.900 4.737 4.700 4.817 . 0 0 "[ .]" 1
201 1 42 ILE H 1 46 THR H . . 4.155 4.229 4.216 4.242 0.087 1 0 "[ .]" 1
202 1 42 ILE H 1 46 THR HG1 . . 4.100 4.122 4.078 4.138 0.038 3 0 "[ .]" 1
203 1 42 ILE HA 1 43 LYS H . . 3.400 3.392 3.387 3.399 . 0 0 "[ .]" 1
204 1 42 ILE HB 1 43 LYS H . . 4.000 3.693 3.241 3.996 . 0 0 "[ .]" 1
205 1 43 LYS H 1 43 LYS QD . . 3.500 3.261 2.981 3.869 0.369 3 0 "[ .]" 1
206 1 43 LYS H 1 43 LYS QE . . 5.000 4.895 4.647 5.170 0.170 5 0 "[ .]" 1
207 1 43 LYS H 1 45 LEU H . . 4.300 3.971 3.928 4.070 . 0 0 "[ .]" 1
208 1 43 LYS H 1 47 GLU HA . . 5.600 6.051 6.023 6.066 0.466 1 0 "[ .]" 1
209 1 43 LYS H 1 47 GLU HB3 . . 3.600 3.646 3.527 3.729 0.129 1 0 "[ .]" 1
210 1 43 LYS HA 1 44 GLY H . . 5.400 3.142 3.113 3.160 . 0 0 "[ .]" 1
211 1 44 GLY H 1 45 LEU H . . 4.100 2.431 2.398 2.518 . 0 0 "[ .]" 1
212 1 44 GLY H 1 45 LEU HA . . 6.000 4.732 4.712 4.776 . 0 0 "[ .]" 1
213 1 44 GLY H 1 46 THR H . . 4.900 3.301 3.251 3.399 . 0 0 "[ .]" 1
214 1 44 GLY H 1 47 GLU HA . . 6.000 4.986 4.891 5.036 . 0 0 "[ .]" 1
215 1 44 GLY HA3 1 47 GLU H . . 4.400 4.527 4.507 4.538 0.138 1 0 "[ .]" 1
216 1 45 LEU H 1 45 LEU HB2 . . 3.100 2.255 2.093 2.351 . 0 0 "[ .]" 1
217 1 45 LEU H 1 45 LEU HG . . 3.200 3.261 2.571 4.517 1.317 5 2 "[ - +]" 1
218 1 45 LEU H 1 46 THR H . . 5.200 2.707 2.674 2.781 . 0 0 "[ .]" 1
219 1 45 LEU H 1 47 GLU H . . 4.900 3.494 3.474 3.540 . 0 0 "[ .]" 1
220 1 45 LEU H 1 48 GLY HA3 . . 5.385 5.587 5.552 5.659 0.274 2 0 "[ .]" 1
221 1 45 LEU HA 1 47 GLU H . . 4.900 4.202 4.175 4.236 . 0 0 "[ .]" 1
222 1 45 LEU HA 1 49 LEU H . . 4.100 3.378 3.195 3.853 . 0 0 "[ .]" 1
223 1 46 THR H 1 47 GLU H . . 4.000 2.433 2.379 2.491 . 0 0 "[ .]" 1
224 1 46 THR H 1 48 GLY H . . 5.300 3.949 3.938 3.955 . 0 0 "[ .]" 1
225 1 46 THR HB 1 47 GLU H . . 3.600 3.352 3.215 3.410 . 0 0 "[ .]" 1
226 1 46 THR HB 1 49 LEU H . . 5.960 5.944 5.616 6.049 0.089 3 0 "[ .]" 1
227 1 46 THR HG1 1 47 GLU H . . 6.000 4.028 3.978 4.076 . 0 0 "[ .]" 1
228 1 46 THR HG1 1 49 LEU H . . 5.900 5.949 5.907 5.977 0.077 5 0 "[ .]" 1
229 1 47 GLU H 1 47 GLU HB3 . . 2.900 2.224 2.190 2.257 . 0 0 "[ .]" 1
230 1 47 GLU H 1 47 GLU QG . . 3.500 3.790 3.549 4.051 0.551 1 2 "[+ -.]" 1
231 1 47 GLU H 1 48 GLY H . . 3.500 2.203 2.179 2.253 . 0 0 "[ .]" 1
232 1 47 GLU H 1 48 GLY HA2 . . 4.840 4.919 4.903 4.941 0.101 2 0 "[ .]" 1
233 1 47 GLU H 1 49 LEU H . . 5.400 3.759 3.746 3.791 . 0 0 "[ .]" 1
234 1 47 GLU H 1 49 LEU QB . . 6.000 5.312 4.877 5.452 . 0 0 "[ .]" 1
235 1 47 GLU H 1 50 HIS H . . 4.600 4.105 3.957 4.514 . 0 0 "[ .]" 1
236 1 47 GLU H 1 51 GLY HA3 . . 4.335 4.601 4.575 4.668 0.333 2 0 "[ .]" 1
237 1 47 GLU HA 1 50 HIS H . . 4.600 4.177 4.164 4.193 . 0 0 "[ .]" 1
238 1 47 GLU HB3 1 49 LEU H . . 5.200 5.302 5.269 5.345 0.145 5 0 "[ .]" 1
239 1 48 GLY H 1 49 LEU H . . 3.100 2.189 2.057 2.232 . 0 0 "[ .]" 1
240 1 48 GLY H 1 51 GLY HA2 . . 5.850 5.900 5.863 6.000 0.150 2 0 "[ .]" 1
241 1 48 GLY HA2 1 49 LEU H . . 3.500 3.526 3.474 3.540 0.040 3 0 "[ .]" 1
242 1 48 GLY HA3 1 49 LEU H . . 3.400 2.855 2.815 2.995 . 0 0 "[ .]" 1
243 1 48 GLY HA3 1 50 HIS H . . 5.200 4.627 4.536 4.939 . 0 0 "[ .]" 1
244 1 49 LEU H 1 49 LEU QB . . 3.000 2.612 2.227 2.724 . 0 0 "[ .]" 1
245 1 49 LEU H 1 49 LEU HG . . 3.400 2.470 1.963 4.395 0.995 2 1 "[ + .]" 1
246 1 49 LEU H 1 50 HIS HB2 . . 4.800 4.419 4.358 4.613 . 0 0 "[ .]" 1
247 1 49 LEU H 1 50 HIS HB3 . . 5.300 5.265 5.224 5.301 0.001 2 0 "[ .]" 1
248 1 49 LEU H 1 51 GLY HA3 . . 4.855 5.248 5.083 5.295 0.440 3 0 "[ .]" 1
249 1 49 LEU HA 1 53 HIS H . . 3.635 3.565 3.490 3.660 0.025 2 0 "[ .]" 1
250 1 49 LEU QB 1 53 HIS H . . 4.815 5.037 5.000 5.092 0.277 2 0 "[ .]" 1
251 1 49 LEU HG 1 50 HIS H . . 3.600 3.862 3.822 3.895 0.295 2 0 "[ .]" 1
252 1 50 HIS H 1 50 HIS HB2 . . 3.100 2.577 2.558 2.590 . 0 0 "[ .]" 1
253 1 50 HIS H 1 50 HIS HB3 . . 3.200 3.157 3.108 3.204 0.004 1 0 "[ .]" 1
254 1 50 HIS H 1 50 HIS HD1 . . 4.400 4.900 4.500 5.244 0.844 5 2 "[ - +]" 1
255 1 50 HIS H 1 51 GLY H . . 3.600 1.891 1.863 1.908 . 0 0 "[ .]" 1
256 1 50 HIS H 1 52 PHE H . . 4.600 3.535 3.458 3.781 . 0 0 "[ .]" 1
257 1 50 HIS H 1 52 PHE HB3 . . 5.110 5.258 5.219 5.283 0.173 4 0 "[ .]" 1
258 1 50 HIS H 1 53 HIS H . . 3.600 3.961 3.903 3.988 0.388 1 0 "[ .]" 1
259 1 50 HIS H 1 53 HIS HD1 . . 5.200 5.213 5.109 5.322 0.122 2 0 "[ .]" 1
260 1 50 HIS HA 1 51 GLY H . . 6.000 3.341 3.311 3.402 . 0 0 "[ .]" 1
261 1 50 HIS HB2 1 51 GLY H . . 6.000 3.852 3.770 3.915 . 0 0 "[ .]" 1
262 1 50 HIS HB3 1 54 VAL H . . 5.545 5.265 5.119 5.347 . 0 0 "[ .]" 1
263 1 51 GLY H 1 52 PHE H . . 3.200 2.124 1.975 2.598 . 0 0 "[ .]" 1
264 1 51 GLY H 1 53 HIS H . . 3.600 3.214 3.090 3.528 . 0 0 "[ .]" 1
265 1 51 GLY H 1 55 HIS H . . 4.800 4.337 4.119 4.708 . 0 0 "[ .]" 1
266 1 51 GLY HA2 1 52 PHE H . . 3.400 3.384 3.088 3.464 0.064 4 0 "[ .]" 1
267 1 51 GLY HA3 1 52 PHE H . . 3.400 3.110 3.021 3.425 0.025 2 0 "[ .]" 1
268 1 52 PHE H 1 53 HIS H . . 3.500 1.817 1.759 1.845 . 0 0 "[ .]" 1
269 1 52 PHE HA 1 53 HIS H . . 2.800 3.436 3.387 3.487 0.687 2 5 [*+*-*] 1
270 1 53 HIS H 1 53 HIS HB2 . . 3.400 2.761 2.140 3.138 . 0 0 "[ .]" 1
271 1 53 HIS H 1 53 HIS HB3 . . 2.800 2.743 2.289 3.423 0.623 4 2 "[ - +.]" 1
272 1 53 HIS H 1 53 HIS HD1 . . 3.500 4.413 4.087 4.641 1.141 3 5 [**+-*] 1
273 1 53 HIS H 1 55 HIS HB2 . . 4.760 4.943 4.841 5.140 0.380 2 0 "[ .]" 1
274 1 53 HIS H 1 56 GLU HA . . 4.280 4.443 4.362 4.616 0.336 2 0 "[ .]" 1
275 1 54 VAL H 1 54 VAL HB . . 3.600 2.523 2.488 2.567 . 0 0 "[ .]" 1
276 1 54 VAL H 1 55 HIS H . . 4.700 2.388 2.090 2.791 . 0 0 "[ .]" 1
277 1 54 VAL H 1 56 GLU HA . . 5.085 5.262 5.120 5.491 0.406 2 0 "[ .]" 1
278 1 55 HIS H 1 55 HIS HB2 . . 3.200 2.373 2.219 2.596 . 0 0 "[ .]" 1
279 1 55 HIS H 1 55 HIS HB3 . . 3.700 3.606 3.516 3.755 0.055 2 0 "[ .]" 1
280 1 55 HIS HA 1 56 GLU H . . 5.000 3.361 2.844 3.570 . 0 0 "[ .]" 1
281 1 55 HIS HB2 1 57 PHE H . . 6.000 4.026 3.060 5.364 . 0 0 "[ .]" 1
282 1 55 HIS HB3 1 57 PHE H . . 6.000 3.591 2.942 4.595 . 0 0 "[ .]" 1
283 1 56 GLU H 1 56 GLU HB2 . . 3.000 2.928 2.165 3.323 0.323 5 0 "[ .]" 1
284 1 56 GLU H 1 56 GLU QG . . 3.400 3.663 2.877 4.124 0.724 3 1 "[ + .]" 1
285 1 56 GLU H 1 57 PHE HA . . 5.000 5.158 5.002 5.352 0.352 4 0 "[ .]" 1
286 1 56 GLU H 1 58 GLY H . . 4.055 4.088 4.062 4.139 0.084 3 0 "[ .]" 1
287 1 56 GLU H 1 60 ASN H . . 4.100 3.887 2.600 4.312 0.212 3 0 "[ .]" 1
288 1 56 GLU HA 1 57 PHE H . . 6.000 3.122 2.780 3.562 . 0 0 "[ .]" 1
289 1 56 GLU HA 1 60 ASN H . . 4.800 4.762 4.377 4.945 0.145 2 0 "[ .]" 1
290 1 56 GLU HB2 1 58 GLY H . . 6.000 4.475 4.029 5.294 . 0 0 "[ .]" 1
291 1 57 PHE HA 1 58 GLY H . . 6.000 3.069 2.890 3.375 . 0 0 "[ .]" 1
292 1 58 GLY H 1 60 ASN HA . . 6.000 5.112 4.221 5.584 . 0 0 "[ .]" 1
293 1 58 GLY HA3 1 59 ASP H . . 2.800 2.534 2.259 2.891 0.091 3 0 "[ .]" 1
294 1 59 ASP H 1 59 ASP HA . . 3.100 2.881 2.830 2.947 . 0 0 "[ .]" 1
295 1 59 ASP H 1 59 ASP HB2 . . 3.100 2.910 2.789 3.134 0.034 5 0 "[ .]" 1
296 1 59 ASP H 1 59 ASP HB3 . . 3.400 3.661 3.314 3.856 0.456 2 0 "[ .]" 1
297 1 59 ASP H 1 62 ALA HA . . 5.000 5.078 4.964 5.181 0.181 4 0 "[ .]" 1
298 1 59 ASP HB2 1 61 THR H . . 4.900 4.094 3.461 4.700 . 0 0 "[ .]" 1
299 1 60 ASN H 1 60 ASN HB2 . . 3.200 3.493 3.177 3.806 0.606 3 1 "[ + .]" 1
300 1 60 ASN H 1 60 ASN HB3 . . 4.400 3.945 3.793 4.054 . 0 0 "[ .]" 1
301 1 60 ASN HB3 1 61 THR H . . 3.800 3.064 1.926 4.511 0.711 5 1 "[ +]" 1
302 1 61 THR H 1 61 THR HG1 . . 3.500 4.019 3.393 4.704 1.204 4 3 "[ - +*]" 1
303 1 61 THR H 1 62 ALA HA . . 3.735 4.019 3.885 4.297 0.562 5 1 "[ +]" 1
304 1 61 THR H 1 62 ALA MB . . 5.200 4.210 4.026 4.268 . 0 0 "[ .]" 1
305 1 61 THR H 1 64 CYS H . . 3.700 3.761 3.707 3.821 0.121 4 0 "[ .]" 1
306 1 61 THR H 1 65 THR H . . 4.600 4.666 4.615 4.749 0.149 3 0 "[ .]" 1
307 1 61 THR HA 1 62 ALA H . . 5.500 3.199 3.017 3.508 . 0 0 "[ .]" 1
308 1 62 ALA H 1 65 THR HG1 . . 4.000 3.909 3.685 4.008 0.008 4 0 "[ .]" 1
309 1 62 ALA HA 1 63 GLY H . . 5.800 2.970 2.899 3.095 . 0 0 "[ .]" 1
310 1 62 ALA HA 1 65 THR H . . 4.300 3.932 3.849 4.042 . 0 0 "[ .]" 1
311 1 62 ALA HA 1 66 SER H . . 3.800 3.900 3.838 3.977 0.177 4 0 "[ .]" 1
312 1 62 ALA MB 1 64 CYS H . . 5.200 5.102 5.032 5.176 . 0 0 "[ .]" 1
313 1 63 GLY H 1 64 CYS HA . . 6.000 4.566 4.467 4.609 . 0 0 "[ .]" 1
314 1 63 GLY H 1 66 SER H . . 4.200 4.114 3.958 4.234 0.034 1 0 "[ .]" 1
315 1 63 GLY HA3 1 64 CYS H . . 2.900 2.917 2.876 2.949 0.049 3 0 "[ .]" 1
316 1 63 GLY HA3 1 67 ALA H . . 5.200 4.707 4.099 5.046 . 0 0 "[ .]" 1
317 1 64 CYS H 1 64 CYS HB2 . . 3.200 2.609 2.319 2.798 . 0 0 "[ .]" 1
318 1 64 CYS H 1 65 THR H . . 4.300 2.245 2.038 2.353 . 0 0 "[ .]" 1
319 1 64 CYS H 1 66 SER H . . 4.800 3.866 3.761 3.966 . 0 0 "[ .]" 1
320 1 64 CYS H 1 67 ALA H . . 5.900 4.217 3.943 4.777 . 0 0 "[ .]" 1
321 1 64 CYS HA 1 65 THR H . . 4.800 3.055 2.993 3.169 . 0 0 "[ .]" 1
322 1 64 CYS HB2 1 65 THR H . . 4.000 3.951 3.859 4.004 0.004 5 0 "[ .]" 1
323 1 65 THR H 1 65 THR HG1 . . 3.800 2.680 2.359 3.171 . 0 0 "[ .]" 1
324 1 65 THR H 1 66 SER H . . 3.200 1.816 1.713 1.886 . 0 0 "[ .]" 1
325 1 65 THR H 1 67 ALA H . . 3.200 2.928 2.811 3.204 0.004 4 0 "[ .]" 1
326 1 65 THR H 1 67 ALA HA . . 5.400 5.674 5.586 5.771 0.371 3 0 "[ .]" 1
327 1 65 THR H 1 68 GLY H . . 6.000 4.014 3.661 4.214 . 0 0 "[ .]" 1
328 1 65 THR HA 1 66 SER H . . 3.000 3.045 2.993 3.119 0.119 4 0 "[ .]" 1
329 1 65 THR HA 1 68 GLY H . . 4.800 4.854 4.822 4.910 0.110 5 0 "[ .]" 1
330 1 65 THR HG1 1 66 SER H . . 4.900 4.071 3.522 4.571 . 0 0 "[ .]" 1
331 1 66 SER H 1 66 SER HB3 . . 3.600 3.414 3.011 3.615 0.015 2 0 "[ .]" 1
332 1 66 SER H 1 67 ALA H . . 6.000 1.849 1.836 1.869 . 0 0 "[ .]" 1
333 1 66 SER H 1 67 ALA HA . . 5.800 4.331 4.212 4.440 . 0 0 "[ .]" 1
334 1 66 SER H 1 67 ALA MB . . 5.200 3.894 3.434 4.299 . 0 0 "[ .]" 1
335 1 66 SER H 1 68 GLY HA3 . . 4.575 4.436 4.134 4.676 0.101 4 0 "[ .]" 1
336 1 66 SER HA 1 67 ALA H . . 5.200 3.514 3.501 3.523 . 0 0 "[ .]" 1
337 1 67 ALA HA 1 68 GLY H . . 6.000 3.028 2.615 3.432 . 0 0 "[ .]" 1
338 1 67 ALA MB 1 68 GLY H . . 6.000 3.437 3.048 3.724 . 0 0 "[ .]" 1
339 1 70 HIS H 1 70 HIS HB2 . . 4.400 3.232 2.935 4.015 . 0 0 "[ .]" 1
340 1 70 HIS H 1 72 ASN H . . 5.200 5.152 4.912 5.334 0.134 4 0 "[ .]" 1
341 1 70 HIS HB2 1 71 PHE H . . 4.900 3.891 3.287 4.543 . 0 0 "[ .]" 1
342 1 71 PHE H 1 71 PHE HB2 . . 3.100 2.615 2.136 3.757 0.657 4 1 "[ +.]" 1
343 1 71 PHE H 1 71 PHE HB3 . . 3.200 3.339 2.846 3.600 0.400 2 0 "[ .]" 1
344 1 71 PHE HB2 1 72 ASN H . . 5.000 4.140 3.337 4.564 . 0 0 "[ .]" 1
345 1 72 ASN HA 1 74 LEU H . . 4.300 4.218 3.939 4.370 0.070 4 0 "[ .]" 1
346 1 72 ASN HA 1 75 SER H . . 5.300 4.871 3.662 5.434 0.134 5 0 "[ .]" 1
347 1 72 ASN HB2 1 75 SER H . . 4.400 4.160 3.393 4.454 0.054 2 0 "[ .]" 1
348 1 72 ASN HB3 1 75 SER H . . 5.600 4.195 2.564 4.796 . 0 0 "[ .]" 1
349 1 74 LEU H 1 74 LEU HA . . 2.900 2.808 2.777 2.899 . 0 0 "[ .]" 1
350 1 74 LEU H 1 74 LEU QB . . 3.100 3.278 2.741 3.418 0.318 4 0 "[ .]" 1
351 1 74 LEU H 1 74 LEU HG . . 3.100 3.109 2.707 4.607 1.507 1 1 "[+ .]" 1
352 1 74 LEU H 1 75 SER H . . 3.100 1.885 1.717 2.390 . 0 0 "[ .]" 1
353 1 74 LEU H 1 75 SER HA . . 4.400 4.350 4.170 4.421 0.021 4 0 "[ .]" 1
354 1 74 LEU H 1 76 ARG HG3 . . 3.510 3.396 3.130 3.766 0.256 1 0 "[ .]" 1
355 1 74 LEU H 1 77 LYS HD3 . . 3.560 3.621 3.499 3.824 0.264 1 0 "[ .]" 1
356 1 74 LEU HA 1 75 SER H . . 3.000 3.029 2.782 3.485 0.485 4 0 "[ .]" 1
357 1 74 LEU HA 1 78 HIS H . . 5.355 5.414 5.185 5.751 0.396 1 0 "[ .]" 1
358 1 74 LEU QB 1 75 SER H . . 3.800 3.869 3.477 3.997 0.197 5 0 "[ .]" 1
359 1 74 LEU HG 1 75 SER H . . 3.700 3.697 2.712 4.547 0.847 1 1 "[+ .]" 1
360 1 75 SER H 1 75 SER HB2 . . 3.100 3.352 2.926 4.027 0.927 5 1 "[ +]" 1
361 1 75 SER H 1 76 ARG H . . 6.000 2.274 1.848 2.922 . 0 0 "[ .]" 1
362 1 75 SER HA 1 76 ARG H . . 3.000 2.956 2.758 3.318 0.318 4 0 "[ .]" 1
363 1 75 SER HB2 1 76 ARG H . . 5.500 4.389 4.121 4.612 . 0 0 "[ .]" 1
364 1 76 ARG H 1 76 ARG QB . . 3.000 3.328 3.176 3.376 0.376 5 0 "[ .]" 1
365 1 76 ARG H 1 76 ARG HD2 . . 6.000 4.479 3.581 5.150 . 0 0 "[ .]" 1
366 1 76 ARG H 1 76 ARG HG3 . . 3.700 2.503 2.299 2.705 . 0 0 "[ .]" 1
367 1 76 ARG H 1 77 LYS H . . 4.900 2.038 1.823 2.776 . 0 0 "[ .]" 1
368 1 76 ARG H 1 77 LYS HA . . 4.700 4.335 3.828 4.577 . 0 0 "[ .]" 1
369 1 76 ARG H 1 77 LYS HB2 . . 3.715 3.618 3.343 3.825 0.110 1 0 "[ .]" 1
370 1 76 ARG HA 1 77 LYS H . . 3.600 3.433 3.101 3.547 . 0 0 "[ .]" 1
371 1 76 ARG QB 1 77 LYS H . . 4.215 3.328 2.289 3.970 . 0 0 "[ .]" 1
372 1 76 ARG HD2 1 79 GLY H . . 6.000 5.165 2.512 6.117 0.117 3 0 "[ .]" 1
373 1 76 ARG HG3 1 77 LYS H . . 4.100 2.335 1.946 3.524 . 0 0 "[ .]" 1
374 1 77 LYS H 1 77 LYS HB2 . . 4.300 2.712 2.153 3.424 . 0 0 "[ .]" 1
375 1 77 LYS H 1 77 LYS HD3 . . 4.000 3.312 2.705 3.663 . 0 0 "[ .]" 1
376 1 77 LYS H 1 77 LYS QE . . 4.200 4.545 3.941 5.085 0.885 4 2 "[ - +.]" 1
377 1 77 LYS H 1 77 LYS HG3 . . 4.300 3.690 2.812 4.429 0.129 4 0 "[ .]" 1
378 1 77 LYS H 1 80 GLY HA2 . . 4.200 4.421 4.223 4.658 0.458 2 0 "[ .]" 1
379 1 78 HIS H 1 78 HIS HB2 . . 3.400 2.488 2.146 3.003 . 0 0 "[ .]" 1
380 1 78 HIS H 1 78 HIS HB3 . . 3.600 3.608 3.431 3.861 0.261 1 0 "[ .]" 1
381 1 79 GLY H 1 80 GLY H . . 5.200 2.829 1.876 4.194 . 0 0 "[ .]" 1
382 1 79 GLY HA3 1 80 GLY H . . 3.000 3.058 2.817 3.209 0.209 4 0 "[ .]" 1
383 1 82 LYS H 1 82 LYS QD . . 3.600 3.698 2.895 4.545 0.945 4 2 "[ -+.]" 1
384 1 82 LYS H 1 82 LYS HG3 . . 4.200 4.550 4.372 4.920 0.720 3 1 "[ + .]" 1
385 1 82 LYS H 1 83 ASP H . . 4.900 4.341 4.273 4.432 . 0 0 "[ .]" 1
386 1 82 LYS H 1 84 GLU H . . 4.200 4.188 4.125 4.222 0.022 3 0 "[ .]" 1
387 1 82 LYS H 1 84 GLU HG3 . . 4.105 4.064 3.724 4.155 0.050 2 0 "[ .]" 1
388 1 82 LYS H 1 85 GLU H . . 5.500 3.322 3.265 3.404 . 0 0 "[ .]" 1
389 1 82 LYS H 1 85 GLU HB2 . . 4.200 3.313 2.834 4.203 0.003 5 0 "[ .]" 1
390 1 82 LYS H 1 86 ARG HB2 . . 4.000 3.974 3.901 4.050 0.050 4 0 "[ .]" 1
391 1 82 LYS H 1 86 ARG HB3 . . 4.800 4.724 4.519 4.835 0.035 4 0 "[ .]" 1
392 1 82 LYS QD 1 84 GLU H . . 6.000 5.144 4.213 5.627 . 0 0 "[ .]" 1
393 1 82 LYS QD 1 86 ARG H . . 4.600 4.076 3.607 4.239 . 0 0 "[ .]" 1
394 1 83 ASP H 1 84 GLU H . . 6.000 2.689 2.600 2.742 . 0 0 "[ .]" 1
395 1 83 ASP H 1 86 ARG H . . 5.000 4.086 4.049 4.173 . 0 0 "[ .]" 1
396 1 83 ASP HB2 1 84 GLU H . . 5.900 4.234 4.050 4.438 . 0 0 "[ .]" 1
397 1 84 GLU H 1 84 GLU HG3 . . 4.900 3.651 3.555 3.784 . 0 0 "[ .]" 1
398 1 84 GLU H 1 85 GLU H . . 4.300 2.006 1.935 2.206 . 0 0 "[ .]" 1
399 1 84 GLU H 1 85 GLU QG . . 6.000 4.997 4.346 5.556 . 0 0 "[ .]" 1
400 1 84 GLU HA 1 87 HIS H . . 4.900 4.433 4.380 4.527 . 0 0 "[ .]" 1
401 1 84 GLU HB3 1 86 ARG H . . 5.955 6.145 6.131 6.151 0.196 3 0 "[ .]" 1
402 1 84 GLU HG2 1 86 ARG H . . 4.310 4.274 4.037 4.340 0.030 5 0 "[ .]" 1
403 1 85 GLU H 1 85 GLU HB2 . . 3.200 2.470 2.273 2.903 . 0 0 "[ .]" 1
404 1 85 GLU H 1 85 GLU HB3 . . 3.500 3.336 2.508 3.687 0.187 3 0 "[ .]" 1
405 1 85 GLU H 1 85 GLU QG . . 3.200 3.320 2.689 4.024 0.824 5 1 "[ +]" 1
406 1 85 GLU H 1 87 HIS HB2 . . 3.800 3.988 3.933 4.024 0.224 4 0 "[ .]" 1
407 1 85 GLU H 1 87 HIS HB3 . . 4.335 4.620 4.598 4.641 0.306 3 0 "[ .]" 1
408 1 85 GLU HA 1 87 HIS H . . 3.345 3.871 3.858 3.892 0.547 3 5 [-*+**] 1
409 1 85 GLU HB3 1 86 ARG H . . 3.700 2.839 2.244 3.360 . 0 0 "[ .]" 1
410 1 86 ARG H 1 86 ARG HB2 . . 3.100 2.284 2.188 2.382 . 0 0 "[ .]" 1
411 1 86 ARG H 1 86 ARG HD2 . . 5.000 4.668 3.990 5.548 0.548 3 1 "[ + .]" 1
412 1 86 ARG H 1 86 ARG HG2 . . 4.100 4.494 4.255 4.701 0.601 1 2 "[+ -.]" 1
413 1 86 ARG H 1 86 ARG HG3 . . 4.200 4.327 4.173 4.403 0.203 3 0 "[ .]" 1
414 1 86 ARG H 1 88 VAL H . . 3.960 4.310 4.288 4.346 0.386 4 0 "[ .]" 1
415 1 86 ARG H 1 89 GLY HA2 . . 5.900 5.958 5.495 6.173 0.273 5 0 "[ .]" 1
416 1 86 ARG HA 1 88 VAL H . . 3.650 3.865 3.758 3.939 0.289 1 0 "[ .]" 1
417 1 87 HIS H 1 87 HIS HB2 . . 3.400 2.428 2.400 2.481 . 0 0 "[ .]" 1
418 1 87 HIS H 1 87 HIS HB3 . . 3.700 2.858 2.795 2.893 . 0 0 "[ .]" 1
419 1 87 HIS H 1 88 VAL H . . 3.500 2.217 2.125 2.327 . 0 0 "[ .]" 1
420 1 87 HIS H 1 89 GLY H . . 6.000 3.594 3.406 3.708 . 0 0 "[ .]" 1
421 1 87 HIS HA 1 89 GLY H . . 4.800 4.688 4.484 5.040 0.240 3 0 "[ .]" 1
422 1 87 HIS HB2 1 88 VAL H . . 3.500 3.827 3.801 3.860 0.360 3 0 "[ .]" 1
423 1 87 HIS HB3 1 89 GLY H . . 4.900 5.080 4.895 5.199 0.299 1 0 "[ .]" 1
424 1 88 VAL H 1 89 GLY H . . 3.600 2.038 1.775 2.157 . 0 0 "[ .]" 1
425 1 88 VAL H 1 89 GLY HA3 . . 4.100 4.158 4.049 4.361 0.261 3 0 "[ .]" 1
426 1 88 VAL HB 1 90 ASP H . . 5.500 4.370 2.591 6.330 0.830 2 1 "[ + .]" 1
427 1 89 GLY H 1 90 ASP H . . 3.320 2.849 2.666 3.361 0.041 2 0 "[ .]" 1
428 1 89 GLY H 1 91 LEU H . . 3.600 4.151 3.827 4.521 0.921 2 2 "[-+ .]" 1
429 1 89 GLY H 1 92 GLY HA3 . . 6.000 6.107 5.802 6.340 0.340 1 0 "[ .]" 1
430 1 89 GLY HA3 1 91 LEU H . . 5.600 3.921 3.630 4.314 . 0 0 "[ .]" 1
431 1 89 GLY HA3 1 92 GLY H . . 5.030 4.899 4.347 5.389 0.359 2 0 "[ .]" 1
432 1 90 ASP H 1 90 ASP QB . . 3.100 3.148 2.617 3.476 0.376 4 0 "[ .]" 1
433 1 90 ASP H 1 91 LEU H . . 3.600 2.830 2.488 3.416 . 0 0 "[ .]" 1
434 1 90 ASP H 1 93 ASN QB . . 5.500 3.728 3.186 4.533 . 0 0 "[ .]" 1
435 1 90 ASP H 1 94 VAL H . . 4.517 4.446 3.743 4.876 0.359 3 0 "[ .]" 1
436 1 90 ASP H 1 94 VAL HB . . 5.400 4.664 4.056 5.074 . 0 0 "[ .]" 1
437 1 90 ASP HA 1 94 VAL H . . 4.200 3.742 3.298 4.272 0.072 5 0 "[ .]" 1
438 1 90 ASP QB 1 91 LEU H . . 4.000 3.856 3.799 3.913 . 0 0 "[ .]" 1
439 1 91 LEU H 1 91 LEU HA . . 3.100 2.860 2.829 2.900 . 0 0 "[ .]" 1
440 1 91 LEU H 1 91 LEU HB3 . . 4.045 3.463 3.117 3.755 . 0 0 "[ .]" 1
441 1 91 LEU H 1 91 LEU HG . . 4.400 3.172 2.187 4.663 0.263 3 0 "[ .]" 1
442 1 91 LEU H 1 93 ASN HA . . 5.180 5.385 5.228 5.474 0.294 1 0 "[ .]" 1
443 1 91 LEU H 1 93 ASN QB . . 4.000 3.751 3.478 3.981 . 0 0 "[ .]" 1
444 1 91 LEU H 1 95 THR H . . 5.900 4.639 4.210 4.796 . 0 0 "[ .]" 1
445 1 91 LEU H 1 95 THR HB . . 5.600 5.670 5.064 6.003 0.403 4 0 "[ .]" 1
446 1 92 GLY H 1 92 GLY HA2 . . 2.900 2.752 2.687 2.840 . 0 0 "[ .]" 1
447 1 92 GLY H 1 95 THR H . . 5.900 3.819 3.092 4.759 . 0 0 "[ .]" 1
448 1 92 GLY H 1 95 THR HA . . 6.000 5.894 5.215 6.805 0.805 5 1 "[ +]" 1
449 1 92 GLY HA2 1 96 ALA H . . 4.800 3.963 2.675 4.864 0.064 2 0 "[ .]" 1
450 1 92 GLY HA3 1 93 ASN H . . 3.100 3.045 2.838 3.187 0.087 3 0 "[ .]" 1
451 1 92 GLY HA3 1 94 VAL H . . 4.750 4.821 4.589 5.018 0.268 3 0 "[ .]" 1
452 1 93 ASN H 1 93 ASN HA . . 3.100 2.910 2.820 2.946 . 0 0 "[ .]" 1
453 1 93 ASN H 1 93 ASN QB . . 3.100 2.338 2.155 2.459 . 0 0 "[ .]" 1
454 1 93 ASN H 1 94 VAL H . . 4.200 2.197 1.973 2.607 . 0 0 "[ .]" 1
455 1 93 ASN H 1 95 THR H . . 5.900 3.446 3.262 3.745 . 0 0 "[ .]" 1
456 1 93 ASN HA 1 94 VAL H . . 4.400 3.493 3.460 3.525 . 0 0 "[ .]" 1
457 1 93 ASN HA 1 97 ASP H . . 4.400 4.583 4.456 4.687 0.287 3 0 "[ .]" 1
458 1 93 ASN QB 1 94 VAL H . . 3.800 2.787 2.650 2.921 . 0 0 "[ .]" 1
459 1 93 ASN QB 1 96 ALA H . . 4.600 5.516 5.336 5.811 1.211 4 5 [**-+*] 1
460 1 94 VAL H 1 94 VAL HA . . 3.100 2.941 2.931 2.950 . 0 0 "[ .]" 1
461 1 94 VAL H 1 94 VAL HB . . 3.000 2.769 2.698 2.908 . 0 0 "[ .]" 1
462 1 94 VAL H 1 95 THR HB . . 4.460 4.612 4.277 4.822 0.362 3 0 "[ .]" 1
463 1 94 VAL HA 1 95 THR H . . 3.100 3.184 3.106 3.270 0.170 4 0 "[ .]" 1
464 1 94 VAL HB 1 95 THR H . . 3.700 4.203 3.612 4.408 0.708 1 4 "[+ *-*]" 1
465 1 95 THR H 1 95 THR HB . . 3.100 2.983 2.253 3.573 0.473 3 0 "[ .]" 1
466 1 95 THR H 1 95 THR HG1 . . 3.400 3.935 3.003 4.827 1.427 3 2 "[- + .]" 1
467 1 95 THR H 1 96 ALA H . . 6.000 2.185 1.908 2.618 . 0 0 "[ .]" 1
468 1 95 THR H 1 96 ALA MB . . 4.600 4.198 3.543 4.784 0.184 4 0 "[ .]" 1
469 1 95 THR H 1 97 ASP H . . 4.600 3.410 3.063 3.949 . 0 0 "[ .]" 1
470 1 95 THR H 1 97 ASP HA . . 6.000 5.799 5.487 6.089 0.089 1 0 "[ .]" 1
471 1 95 THR H 1 99 ASP H . . 5.900 5.202 4.352 6.182 0.282 5 0 "[ .]" 1
472 1 95 THR HB 1 96 ALA H . . 5.500 3.630 2.827 4.071 . 0 0 "[ .]" 1
473 1 95 THR HB 1 99 ASP H . . 3.000 3.503 3.078 3.713 0.713 3 3 "[* +-.]" 1
474 1 96 ALA H 1 97 ASP HA . . 5.000 4.920 3.974 5.387 0.387 3 0 "[ .]" 1
475 1 97 ASP H 1 97 ASP QB . . 3.100 2.984 2.497 3.404 0.304 2 0 "[ .]" 1
476 1 97 ASP H 1 100 GLY H . . 4.995 4.518 3.530 5.017 0.022 2 0 "[ .]" 1
477 1 98 LYS H 1 101 VAL HB . . 6.000 4.866 2.852 6.291 0.291 5 0 "[ .]" 1
478 1 98 LYS HB3 1 99 ASP H . . 3.800 2.656 1.996 3.373 . 0 0 "[ .]" 1
479 1 98 LYS HD2 1 99 ASP H . . 4.600 4.553 4.136 4.820 0.220 5 0 "[ .]" 1
480 1 98 LYS HG3 1 99 ASP H . . 4.000 3.322 2.493 4.000 . 0 0 "[ .]" 1
481 1 99 ASP H 1 99 ASP HA . . 3.000 2.845 2.718 2.946 . 0 0 "[ .]" 1
482 1 99 ASP H 1 99 ASP HB2 . . 3.100 2.697 2.492 3.217 0.117 4 0 "[ .]" 1
483 1 99 ASP H 1 99 ASP HB3 . . 3.330 3.702 3.592 3.872 0.542 4 1 "[ +.]" 1
484 1 99 ASP H 1 100 GLY H . . 3.000 2.245 1.780 2.843 . 0 0 "[ .]" 1
485 1 99 ASP H 1 101 VAL H . . 5.200 3.449 2.877 4.208 . 0 0 "[ .]" 1
486 1 99 ASP H 1 102 ALA H . . 3.800 3.928 3.480 4.355 0.555 1 1 "[+ .]" 1
487 1 99 ASP H 1 103 ASP HB2 . . 4.278 4.412 4.271 4.523 0.245 1 0 "[ .]" 1
488 1 99 ASP HA 1 100 GLY H . . 4.030 3.410 2.885 3.566 . 0 0 "[ .]" 1
489 1 99 ASP HA 1 101 VAL H . . 4.300 4.230 3.518 5.244 0.944 5 1 "[ +]" 1
490 1 99 ASP HB2 1 101 VAL H . . 4.400 4.410 3.799 4.755 0.355 1 0 "[ .]" 1
491 1 100 GLY H 1 101 VAL H . . 3.100 2.492 1.787 2.810 . 0 0 "[ .]" 1
492 1 100 GLY H 1 102 ALA H . . 3.800 3.844 3.200 4.112 0.312 3 0 "[ .]" 1
493 1 100 GLY H 1 102 ALA MB . . 4.700 5.299 5.165 5.561 0.861 3 3 "[ *+-.]" 1
494 1 100 GLY HA3 1 103 ASP H . . 5.755 5.634 5.089 5.821 0.066 4 0 "[ .]" 1
495 1 100 GLY HA3 1 104 VAL H . . 4.655 4.790 4.603 4.951 0.296 5 0 "[ .]" 1
496 1 101 VAL H 1 102 ALA H . . 3.200 1.810 1.701 1.872 . 0 0 "[ .]" 1
497 1 101 VAL H 1 103 ASP H . . 4.900 3.133 2.500 3.666 . 0 0 "[ .]" 1
498 1 101 VAL H 1 104 VAL H . . 4.200 3.401 3.115 3.682 . 0 0 "[ .]" 1
499 1 101 VAL H 1 104 VAL HA . . 5.775 6.124 5.945 6.400 0.625 1 1 "[+ .]" 1
500 1 101 VAL H 1 105 SER HB2 . . 6.000 4.856 3.995 6.053 0.053 5 0 "[ .]" 1
501 1 101 VAL HA 1 102 ALA H . . 4.800 3.493 3.427 3.534 . 0 0 "[ .]" 1
502 1 101 VAL HA 1 103 ASP H . . 4.100 3.988 3.815 4.210 0.110 5 0 "[ .]" 1
503 1 101 VAL HB 1 102 ALA H . . 3.600 3.224 2.613 4.238 0.638 5 1 "[ +]" 1
504 1 101 VAL HB 1 104 VAL H . . 4.985 5.917 5.554 6.820 1.835 5 5 [***-+] 1
505 1 102 ALA H 1 104 VAL H . . 4.700 3.500 2.750 3.790 . 0 0 "[ .]" 1
506 1 102 ALA H 1 105 SER H . . 4.900 4.501 3.316 4.977 0.077 4 0 "[ .]" 1
507 1 102 ALA H 1 106 ILE H . . 5.300 4.858 3.119 5.338 0.038 3 0 "[ .]" 1
508 1 102 ALA HA 1 103 ASP H . . 2.900 2.934 2.880 3.032 0.132 5 0 "[ .]" 1
509 1 102 ALA HA 1 104 VAL H . . 4.400 4.554 4.274 4.668 0.268 3 0 "[ .]" 1
510 1 102 ALA HA 1 105 SER H . . 5.850 4.760 4.313 5.719 . 0 0 "[ .]" 1
511 1 102 ALA MB 1 104 VAL H . . 5.400 4.545 3.157 4.976 . 0 0 "[ .]" 1
512 1 103 ASP H 1 103 ASP HB2 . . 2.900 3.143 2.911 3.729 0.829 5 1 "[ +]" 1
513 1 103 ASP H 1 104 VAL H . . 3.200 1.928 1.730 2.586 . 0 0 "[ .]" 1
514 1 103 ASP H 1 105 SER H . . 4.400 2.737 2.457 3.514 . 0 0 "[ .]" 1
515 1 103 ASP H 1 106 ILE H . . 4.800 3.497 3.061 4.640 . 0 0 "[ .]" 1
516 1 103 ASP H 1 106 ILE HB . . 5.200 4.710 4.269 5.308 0.108 5 0 "[ .]" 1
517 1 104 VAL H 1 105 SER H . . 3.700 2.247 1.918 2.425 . 0 0 "[ .]" 1
518 1 104 VAL H 1 105 SER HA . . 5.090 4.690 4.090 4.982 . 0 0 "[ .]" 1
519 1 104 VAL HA 1 105 SER H . . 3.000 3.136 3.023 3.313 0.313 2 0 "[ .]" 1
520 1 104 VAL HB 1 105 SER H . . 3.600 3.912 3.720 4.091 0.491 2 0 "[ .]" 1
521 1 104 VAL HB 1 106 ILE H . . 6.000 5.280 3.383 5.883 . 0 0 "[ .]" 1
522 1 105 SER H 1 106 ILE H . . 3.700 2.025 1.853 2.589 . 0 0 "[ .]" 1
523 1 105 SER H 1 106 ILE HA . . 4.855 4.530 3.971 5.047 0.192 5 0 "[ .]" 1
524 1 105 SER H 1 106 ILE HB . . 5.400 4.204 3.929 4.546 . 0 0 "[ .]" 1
525 1 105 SER H 1 107 GLU H . . 4.600 3.836 3.183 4.730 0.130 5 0 "[ .]" 1
526 1 105 SER H 1 108 ASP HB3 . . 5.450 5.119 4.734 5.456 0.006 5 0 "[ .]" 1
527 1 105 SER HA 1 106 ILE H . . 6.000 3.285 2.857 3.540 . 0 0 "[ .]" 1
528 1 105 SER HA 1 107 GLU H . . 4.900 3.989 3.541 4.363 . 0 0 "[ .]" 1
529 1 106 ILE H 1 106 ILE HB . . 3.600 2.567 2.192 2.703 . 0 0 "[ .]" 1
530 1 106 ILE H 1 106 ILE HG12 . . 4.600 3.196 1.937 4.230 . 0 0 "[ .]" 1
531 1 106 ILE H 1 109 SER HB3 . . 6.000 5.633 5.308 5.985 . 0 0 "[ .]" 1
532 1 106 ILE HA 1 108 ASP H . . 4.700 4.351 4.138 4.493 . 0 0 "[ .]" 1
533 1 106 ILE HA 1 110 VAL H . . 5.800 3.768 3.726 3.846 . 0 0 "[ .]" 1
534 1 106 ILE HB 1 107 GLU H . . 3.500 2.647 2.565 2.895 . 0 0 "[ .]" 1
535 1 106 ILE HB 1 108 ASP H . . 4.900 4.960 4.915 5.059 0.159 5 0 "[ .]" 1
536 1 106 ILE HB 1 109 SER H . . 5.200 5.325 5.297 5.400 0.200 5 0 "[ .]" 1
537 1 106 ILE HB 1 110 VAL H . . 5.700 5.479 5.342 5.774 0.074 5 0 "[ .]" 1
538 1 107 GLU H 1 107 GLU HB2 . . 3.100 2.642 2.351 2.785 . 0 0 "[ .]" 1
539 1 107 GLU H 1 107 GLU HG2 . . 4.900 2.823 2.317 3.570 . 0 0 "[ .]" 1
540 1 107 GLU H 1 107 GLU HG3 . . 3.800 2.459 2.114 3.013 . 0 0 "[ .]" 1
541 1 107 GLU H 1 108 ASP H . . 3.600 2.563 2.546 2.601 . 0 0 "[ .]" 1
542 1 107 GLU H 1 108 ASP HB3 . . 4.600 4.628 4.617 4.660 0.060 5 0 "[ .]" 1
543 1 107 GLU H 1 109 SER H . . 4.600 3.824 3.783 3.866 . 0 0 "[ .]" 1
544 1 107 GLU H 1 110 VAL HB . . 5.200 5.273 5.262 5.280 0.080 2 0 "[ .]" 1
545 1 107 GLU HA 1 109 SER H . . 4.300 3.904 3.867 3.997 . 0 0 "[ .]" 1
546 1 107 GLU HB2 1 109 SER H . . 4.700 4.787 4.716 4.904 0.204 5 0 "[ .]" 1
547 1 107 GLU HG2 1 108 ASP H . . 4.700 4.664 4.377 4.972 0.272 3 0 "[ .]" 1
548 1 107 GLU HG3 1 108 ASP H . . 4.800 4.278 3.981 4.817 0.017 5 0 "[ .]" 1
549 1 108 ASP H 1 108 ASP HB3 . . 3.100 2.313 2.292 2.330 . 0 0 "[ .]" 1
550 1 108 ASP H 1 109 SER H . . 3.600 2.427 2.314 2.488 . 0 0 "[ .]" 1
551 1 108 ASP H 1 109 SER HA . . 5.000 5.061 4.959 5.114 0.114 3 0 "[ .]" 1
552 1 108 ASP H 1 109 SER HB2 . . 4.345 4.316 4.229 4.404 0.059 3 0 "[ .]" 1
553 1 108 ASP H 1 110 VAL H . . 4.600 4.097 3.987 4.183 . 0 0 "[ .]" 1
554 1 108 ASP H 1 111 ILE H . . 5.000 4.928 4.795 4.989 . 0 0 "[ .]" 1
555 1 108 ASP HA 1 109 SER H . . 3.600 3.396 3.395 3.398 . 0 0 "[ .]" 1
556 1 108 ASP HA 1 110 VAL H . . 4.900 4.632 4.513 4.722 . 0 0 "[ .]" 1
557 1 108 ASP HB3 1 109 SER H . . 3.200 3.251 3.241 3.268 0.068 5 0 "[ .]" 1
558 1 109 SER H 1 109 SER HA . . 3.100 2.926 2.922 2.928 . 0 0 "[ .]" 1
559 1 109 SER H 1 109 SER HB2 . . 3.000 2.392 2.259 2.494 . 0 0 "[ .]" 1
560 1 109 SER H 1 109 SER HB3 . . 3.200 2.996 2.820 3.230 0.030 2 0 "[ .]" 1
561 1 109 SER H 1 110 VAL HB . . 4.200 4.428 4.410 4.448 0.248 3 0 "[ .]" 1
562 1 109 SER H 1 111 ILE HB . . 5.050 5.102 5.072 5.119 0.069 1 0 "[ .]" 1
563 1 109 SER H 1 112 SER H . . 4.900 4.353 4.335 4.376 . 0 0 "[ .]" 1
564 1 109 SER H 1 113 LEU H . . 5.600 5.634 5.620 5.655 0.055 5 0 "[ .]" 1
565 1 110 VAL H 1 110 VAL HB . . 3.600 2.425 2.396 2.467 . 0 0 "[ .]" 1
566 1 110 VAL HA 1 111 ILE H . . 3.800 3.455 3.448 3.459 . 0 0 "[ .]" 1
567 1 110 VAL HB 1 111 ILE H . . 3.800 3.794 3.045 3.987 0.187 4 0 "[ .]" 1
568 1 111 ILE H 1 111 ILE HG12 . . 3.700 3.292 2.520 3.816 0.116 2 0 "[ .]" 1
569 1 111 ILE H 1 111 ILE HG13 . . 3.700 3.050 2.470 3.913 0.213 4 0 "[ .]" 1
570 1 111 ILE H 1 112 SER HA . . 4.650 4.884 4.876 4.892 0.242 5 0 "[ .]" 1
571 1 111 ILE HA 1 114 SER H . . 5.500 3.708 3.626 3.760 . 0 0 "[ .]" 1
572 1 111 ILE HB 1 114 SER H . . 5.800 5.869 5.808 5.905 0.105 1 0 "[ .]" 1
573 1 112 SER H 1 112 SER HB2 . . 3.200 2.934 2.265 3.645 0.445 4 0 "[ .]" 1
574 1 112 SER H 1 116 ASP H . . 5.720 5.724 5.672 5.750 0.030 5 0 "[ .]" 1
575 1 112 SER H 1 116 ASP HB2 . . 5.300 5.370 5.334 5.399 0.099 1 0 "[ .]" 1
576 1 112 SER HA 1 116 ASP H . . 5.800 3.765 3.569 4.042 . 0 0 "[ .]" 1
577 1 113 LEU H 1 113 LEU HB3 . . 4.200 2.880 2.489 3.393 . 0 0 "[ .]" 1
578 1 113 LEU H 1 113 LEU HG . . 4.300 4.340 4.077 4.476 0.176 4 0 "[ .]" 1
579 1 113 LEU H 1 114 SER H . . 3.200 2.546 2.343 2.697 . 0 0 "[ .]" 1
580 1 113 LEU H 1 114 SER HB3 . . 6.000 5.003 4.469 5.428 . 0 0 "[ .]" 1
581 1 113 LEU H 1 115 GLY H . . 4.600 3.581 3.553 3.623 . 0 0 "[ .]" 1
582 1 113 LEU HA 1 114 SER H . . 3.500 3.535 3.523 3.545 0.045 2 0 "[ .]" 1
583 1 113 LEU HB3 1 114 SER H . . 3.700 2.769 2.524 3.058 . 0 0 "[ .]" 1
584 1 114 SER H 1 114 SER HB2 . . 3.200 3.657 3.617 3.698 0.498 3 0 "[ .]" 1
585 1 114 SER H 1 114 SER HB3 . . 3.425 2.666 2.370 2.927 . 0 0 "[ .]" 1
586 1 114 SER H 1 115 GLY H . . 3.600 2.170 2.159 2.181 . 0 0 "[ .]" 1
587 1 114 SER H 1 116 ASP H . . 5.200 3.766 3.606 3.859 . 0 0 "[ .]" 1
588 1 114 SER H 1 116 ASP HB2 . . 5.800 5.455 5.198 5.624 . 0 0 "[ .]" 1
589 1 114 SER H 1 117 HIS H . . 6.000 4.950 4.789 5.039 . 0 0 "[ .]" 1
590 1 114 SER H 1 117 HIS HB3 . . 6.000 5.236 4.953 5.358 . 0 0 "[ .]" 1
591 1 114 SER HA 1 115 GLY H . . 6.000 3.415 3.346 3.524 . 0 0 "[ .]" 1
592 1 114 SER HA 1 116 ASP H . . 5.800 3.728 3.593 3.812 . 0 0 "[ .]" 1
593 1 114 SER HA 1 117 HIS H . . 6.000 3.582 3.409 3.652 . 0 0 "[ .]" 1
594 1 114 SER HA 1 118 CYS H . . 6.000 3.928 3.774 4.055 . 0 0 "[ .]" 1
595 1 114 SER HB2 1 118 CYS H . . 5.950 5.427 5.243 5.570 . 0 0 "[ .]" 1
596 1 114 SER HB3 1 115 GLY H . . 5.600 3.967 3.477 4.314 . 0 0 "[ .]" 1
597 1 115 GLY H 1 116 ASP H . . 4.600 2.384 2.230 2.612 . 0 0 "[ .]" 1
598 1 115 GLY H 1 119 ILE H . . 5.800 5.669 5.573 5.770 . 0 0 "[ .]" 1
599 1 115 GLY HA3 1 119 ILE H . . 6.000 5.318 5.076 5.476 . 0 0 "[ .]" 1
600 1 116 ASP H 1 116 ASP HA . . 3.000 2.936 2.935 2.937 . 0 0 "[ .]" 1
601 1 116 ASP H 1 116 ASP HB2 . . 2.800 2.749 2.725 2.765 . 0 0 "[ .]" 1
602 1 116 ASP H 1 116 ASP HB3 . . 3.100 3.213 3.182 3.234 0.134 4 0 "[ .]" 1
603 1 116 ASP H 1 117 HIS HA . . 4.255 4.532 4.522 4.546 0.291 3 0 "[ .]" 1
604 1 116 ASP H 1 117 HIS HB2 . . 5.200 3.850 3.747 4.076 . 0 0 "[ .]" 1
605 1 116 ASP H 1 117 HIS HB3 . . 4.300 4.133 3.826 4.257 . 0 0 "[ .]" 1
606 1 116 ASP H 1 118 CYS H . . 5.400 3.533 3.367 3.866 . 0 0 "[ .]" 1
607 1 116 ASP H 1 120 ILE H . . 5.800 4.731 4.404 5.231 . 0 0 "[ .]" 1
608 1 117 HIS H 1 117 HIS HA . . 2.900 2.944 2.940 2.947 0.047 4 0 "[ .]" 1
609 1 117 HIS H 1 117 HIS HB2 . . 3.500 2.965 2.909 3.164 . 0 0 "[ .]" 1
610 1 117 HIS H 1 117 HIS HB3 . . 3.200 2.825 2.551 2.963 . 0 0 "[ .]" 1
611 1 117 HIS H 1 119 ILE H . . 4.900 3.213 3.094 3.421 . 0 0 "[ .]" 1
612 1 117 HIS H 1 119 ILE HA . . 5.900 6.038 5.930 6.125 0.225 1 0 "[ .]" 1
613 1 117 HIS H 1 120 ILE H . . 5.400 3.752 3.675 3.827 . 0 0 "[ .]" 1
614 1 117 HIS H 1 121 GLY H . . 6.000 3.877 3.608 4.817 . 0 0 "[ .]" 1
615 1 117 HIS HA 1 119 ILE H . . 5.400 4.828 4.638 5.473 0.073 4 0 "[ .]" 1
616 1 117 HIS HA 1 120 ILE H . . 5.900 4.622 4.505 4.905 . 0 0 "[ .]" 1
617 1 118 CYS H 1 118 CYS HB2 . . 3.800 2.744 2.400 3.650 . 0 0 "[ .]" 1
618 1 118 CYS H 1 120 ILE H . . 5.700 3.339 3.261 3.430 . 0 0 "[ .]" 1
619 1 118 CYS H 1 120 ILE HA . . 5.915 6.137 6.031 6.264 0.349 4 0 "[ .]" 1
620 1 118 CYS HA 1 119 ILE H . . 5.200 3.505 3.474 3.560 . 0 0 "[ .]" 1
621 1 119 ILE H 1 119 ILE HG12 . . 5.400 3.393 1.961 4.475 . 0 0 "[ .]" 1
622 1 119 ILE H 1 120 ILE H . . 4.100 2.314 2.158 2.815 . 0 0 "[ .]" 1
623 1 119 ILE H 1 120 ILE HA . . 6.000 4.984 4.857 5.411 . 0 0 "[ .]" 1
624 1 119 ILE H 1 122 ARG H . . 5.400 3.988 3.800 4.449 . 0 0 "[ .]" 1
625 1 119 ILE H 1 122 ARG HA . . 6.000 6.206 6.076 6.620 0.620 4 1 "[ +.]" 1
626 1 119 ILE H 1 123 THR H . . 5.800 5.796 5.717 5.833 0.033 2 0 "[ .]" 1
627 1 119 ILE HA 1 120 ILE H . . 3.400 3.525 3.463 3.550 0.150 2 0 "[ .]" 1
628 1 120 ILE H 1 120 ILE HB . . 3.200 2.548 2.481 2.621 . 0 0 "[ .]" 1
629 1 120 ILE H 1 120 ILE HG13 . . 4.200 2.862 2.341 3.795 . 0 0 "[ .]" 1
630 1 120 ILE H 1 121 GLY H . . 4.100 2.412 2.280 2.455 . 0 0 "[ .]" 1
631 1 120 ILE H 1 121 GLY HA2 . . 5.800 5.015 4.937 5.043 . 0 0 "[ .]" 1
632 1 120 ILE H 1 121 GLY HA3 . . 5.000 4.597 4.574 4.614 . 0 0 "[ .]" 1
633 1 120 ILE H 1 122 ARG H . . 5.200 3.419 3.340 3.624 . 0 0 "[ .]" 1
634 1 120 ILE H 1 122 ARG HA . . 6.000 6.174 6.110 6.283 0.283 4 0 "[ .]" 1
635 1 120 ILE H 1 124 LEU H . . 6.000 5.850 5.458 6.093 0.093 3 0 "[ .]" 1
636 1 120 ILE HA 1 121 GLY H . . 4.900 3.572 3.564 3.575 . 0 0 "[ .]" 1
637 1 120 ILE HA 1 122 ARG H . . 5.800 4.200 3.849 5.039 . 0 0 "[ .]" 1
638 1 120 ILE HA 1 123 THR H . . 6.000 3.878 3.610 4.221 . 0 0 "[ .]" 1
639 1 120 ILE HA 1 124 LEU H . . 5.600 4.255 3.830 4.621 . 0 0 "[ .]" 1
640 1 120 ILE HB 1 121 GLY H . . 5.600 2.256 2.192 2.431 . 0 0 "[ .]" 1
641 1 120 ILE HB 1 123 THR H . . 5.950 5.696 5.408 5.994 0.044 1 0 "[ .]" 1
642 1 121 GLY H 1 122 ARG H . . 3.400 2.662 2.508 2.714 . 0 0 "[ .]" 1
643 1 121 GLY H 1 123 THR H . . 4.800 4.426 3.862 4.876 0.076 5 0 "[ .]" 1
644 1 121 GLY H 1 125 VAL H . . 5.800 5.847 5.650 6.002 0.202 5 0 "[ .]" 1
645 1 121 GLY HA2 1 122 ARG H . . 3.400 3.468 3.410 3.557 0.157 4 0 "[ .]" 1
646 1 121 GLY HA2 1 125 VAL H . . 5.600 3.658 3.340 3.890 . 0 0 "[ .]" 1
647 1 121 GLY HA3 1 122 ARG H . . 3.200 2.989 2.740 3.111 . 0 0 "[ .]" 1
648 1 122 ARG H 1 122 ARG HB3 . . 3.000 2.556 2.379 2.799 . 0 0 "[ .]" 1
649 1 122 ARG H 1 122 ARG HD2 . . 4.100 4.609 4.217 4.918 0.818 3 2 "[ +-.]" 1
650 1 122 ARG H 1 122 ARG QG . . 4.065 3.982 3.880 4.023 . 0 0 "[ .]" 1
651 1 122 ARG H 1 123 THR H . . 4.100 2.673 2.446 2.887 . 0 0 "[ .]" 1
652 1 122 ARG H 1 123 THR HA . . 6.000 5.276 5.115 5.423 . 0 0 "[ .]" 1
653 1 122 ARG H 1 126 VAL H . . 5.600 5.508 4.788 5.704 0.104 1 0 "[ .]" 1
654 1 122 ARG HA 1 123 THR H . . 3.400 3.491 3.375 3.568 0.168 5 0 "[ .]" 1
655 1 122 ARG HA 1 125 VAL H . . 5.800 3.951 3.647 4.285 . 0 0 "[ .]" 1
656 1 123 THR H 1 123 THR HG1 . . 3.400 3.466 2.472 4.624 1.224 4 2 "[- +.]" 1
657 1 123 THR H 1 124 LEU H . . 3.000 2.312 2.105 2.534 . 0 0 "[ .]" 1
658 1 123 THR H 1 125 VAL H . . 4.900 3.721 3.418 4.179 . 0 0 "[ .]" 1
659 1 123 THR HA 1 124 LEU H . . 4.600 3.503 3.401 3.549 . 0 0 "[ .]" 1
660 1 123 THR HA 1 125 VAL H . . 5.200 4.036 3.776 4.412 . 0 0 "[ .]" 1
661 1 123 THR HA 1 127 HIS H . . 5.700 2.874 2.382 3.391 . 0 0 "[ .]" 1
662 1 123 THR HG1 1 124 LEU H . . 5.300 4.217 3.843 4.824 . 0 0 "[ .]" 1
663 1 124 LEU H 1 124 LEU HB3 . . 4.100 2.562 2.349 2.939 . 0 0 "[ .]" 1
664 1 124 LEU H 1 124 LEU HG . . 4.600 4.476 4.376 4.609 0.009 3 0 "[ .]" 1
665 1 124 LEU H 1 125 VAL H . . 3.500 2.494 2.268 2.666 . 0 0 "[ .]" 1
666 1 124 LEU H 1 126 VAL H . . 4.600 4.022 3.644 4.261 . 0 0 "[ .]" 1
667 1 124 LEU H 1 128 GLU HA . . 5.110 5.097 4.675 5.266 0.156 3 0 "[ .]" 1
668 1 124 LEU HA 1 125 VAL H . . 3.200 3.459 3.418 3.486 0.286 1 0 "[ .]" 1
669 1 124 LEU HA 1 127 HIS H . . 5.700 4.673 4.397 4.849 . 0 0 "[ .]" 1
670 1 124 LEU HB3 1 125 VAL H . . 3.700 2.986 2.864 3.109 . 0 0 "[ .]" 1
671 1 124 LEU HG 1 125 VAL H . . 3.800 4.597 3.791 5.313 1.513 3 4 "[ -+**]" 1
672 1 125 VAL H 1 126 VAL HB . . 4.200 4.248 4.087 4.399 0.199 4 0 "[ .]" 1
673 1 125 VAL H 1 128 GLU HB3 . . 5.900 5.659 4.451 6.062 0.162 3 0 "[ .]" 1
674 1 125 VAL HA 1 127 HIS H . . 5.200 5.044 4.373 5.407 0.207 2 0 "[ .]" 1
675 1 126 VAL H 1 126 VAL HB . . 3.000 2.336 2.224 2.482 . 0 0 "[ .]" 1
676 1 126 VAL H 1 128 GLU HB2 . . 5.850 5.249 4.617 6.004 0.154 1 0 "[ .]" 1
677 1 126 VAL HA 1 127 HIS H . . 3.185 3.554 3.494 3.571 0.386 2 0 "[ .]" 1
678 1 126 VAL HB 1 128 GLU H . . 5.900 4.501 3.576 5.306 . 0 0 "[ .]" 1
679 1 127 HIS H 1 127 HIS HB2 . . 3.200 2.527 2.395 2.686 . 0 0 "[ .]" 1
680 1 127 HIS H 1 127 HIS HB3 . . 3.200 3.414 2.985 3.804 0.604 5 1 "[ +]" 1
681 1 127 HIS H 1 127 HIS HD2 . . 4.200 4.653 3.709 5.354 1.154 3 2 "[ -+ .]" 1
682 1 127 HIS HA 1 128 GLU H . . 3.500 3.090 2.801 3.511 0.011 5 0 "[ .]" 1
683 1 127 HIS HA 1 129 LYS H . . 4.400 3.602 3.018 4.428 0.028 5 0 "[ .]" 1
684 1 128 GLU H 1 128 GLU HB2 . . 3.000 2.995 2.328 3.814 0.814 1 2 "[+- .]" 1
685 1 128 GLU H 1 128 GLU HB3 . . 3.600 2.886 2.226 3.593 . 0 0 "[ .]" 1
686 1 128 GLU H 1 128 GLU QG . . 3.500 3.737 2.719 4.065 0.565 5 2 "[- +]" 1
687 1 128 GLU H 1 129 LYS HB3 . . 4.600 4.725 4.643 4.761 0.161 3 0 "[ .]" 1
688 1 128 GLU H 1 130 ALA H . . 4.500 4.354 4.137 4.522 0.022 3 0 "[ .]" 1
689 1 128 GLU H 1 132 ASP HB3 . . 5.900 5.725 5.304 5.909 0.009 5 0 "[ .]" 1
690 1 129 LYS H 1 129 LYS HB3 . . 3.100 2.392 2.272 2.651 . 0 0 "[ .]" 1
691 1 129 LYS H 1 129 LYS QD . . 4.800 3.963 1.877 4.807 0.007 3 0 "[ .]" 1
692 1 129 LYS H 1 129 LYS HG3 . . 4.300 4.419 3.857 4.656 0.356 3 0 "[ .]" 1
693 1 129 LYS HG3 1 130 ALA H . . 5.600 4.378 3.855 4.833 . 0 0 "[ .]" 1
694 1 130 ALA H 1 131 ASP H . . 3.500 2.870 1.855 3.697 0.197 4 0 "[ .]" 1
695 1 130 ALA HA 1 131 ASP H . . 3.100 2.857 2.145 3.500 0.400 1 0 "[ .]" 1
696 1 130 ALA MB 1 131 ASP H . . 3.100 3.224 2.785 3.417 0.317 2 0 "[ .]" 1
697 1 131 ASP H 1 131 ASP HB2 . . 3.400 3.381 2.928 3.991 0.591 5 2 "[ - +]" 1
698 1 131 ASP H 1 131 ASP HB3 . . 3.700 3.666 3.389 3.847 0.147 4 0 "[ .]" 1
699 1 132 ASP H 1 132 ASP HB2 . . 3.600 3.327 2.851 4.029 0.429 1 0 "[ .]" 1
700 1 132 ASP H 1 132 ASP HB3 . . 3.400 2.787 2.292 3.495 0.095 3 0 "[ .]" 1
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