NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
469703 |
2ahq   |
6816 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ahq
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 653
_Distance_constraint_stats_list.Viol_count 1445
_Distance_constraint_stats_list.Viol_total 6415.385
_Distance_constraint_stats_list.Viol_max 0.980
_Distance_constraint_stats_list.Viol_rms 0.0971
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0246
_Distance_constraint_stats_list.Viol_average_violations_only 0.2220
_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 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 3.944 0.746 20 2 "[ . - 1 . +]"
1 5 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PHE 3.336 0.733 10 3 "[ -. + * . 2]"
1 9 VAL 8.262 0.718 7 7 "[* .*+-*1 *. * 2]"
1 10 ARG 6.085 0.781 12 2 "[ . 1 + . - 2]"
1 11 GLU 6.669 0.789 17 8 "[ **-. 1* * .*+* 2]"
1 12 SER 5.616 0.781 1 6 "[+* *.- 1 * . *2]"
1 13 ALA 1.653 0.241 13 0 "[ . 1 . 2]"
1 14 GLU 16.720 0.846 20 15 "[ * . -************+]"
1 15 GLY 3.849 0.345 18 0 "[ . 1 . 2]"
1 16 LEU 4.926 0.413 7 0 "[ . 1 . 2]"
1 17 THR 14.592 0.862 14 9 "[ * . 1 **+** **-]"
1 18 GLN 9.471 0.862 14 9 "[ * . 1 **+** **-]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 21.668 0.972 14 7 "[*** . - 1 * +. *2]"
1 21 LEU 20.868 0.881 9 8 "[- *.* *+1 ** * 2]"
1 22 MET 32.183 0.980 13 8 "[ ** *1 *+ .*- *]"
1 23 LYS 7.851 0.620 13 5 "[- . 1* + * * 2]"
1 24 LEU 18.824 0.881 9 9 "[* *.- *+1 **. * *2]"
1 25 ILE 7.929 0.418 17 0 "[ . 1 . 2]"
1 26 LYS 3.409 0.792 14 3 "[ . - 1 +. *2]"
1 27 GLU 5.789 0.717 6 3 "[ .+* -1 . 2]"
1 28 ILE 7.259 0.823 19 2 "[ . 1 -. +2]"
1 29 VAL 16.991 0.823 19 2 "[ . 1 *. +2]"
1 30 GLU 8.530 0.645 15 11 "[** ***-** + * *]"
1 31 ASN 9.131 0.714 4 4 "[ +. * 1 *. -]"
1 32 GLU 24.055 0.734 14 5 "[ *. * 1 +. -*]"
1 33 ASP 7.432 0.647 11 1 "[ . 1+ . 2]"
1 34 LYS 9.066 0.675 6 4 "[ * .+ 1* . - 2]"
1 35 ARG 5.984 0.669 5 1 "[ + 1 . 2]"
1 36 LYS 5.828 0.339 14 0 "[ . 1 . 2]"
1 37 PRO 4.935 0.332 17 0 "[ . 1 . 2]"
1 38 TYR 1.076 0.249 8 0 "[ . 1 . 2]"
1 39 SER 7.367 0.503 18 1 "[ . 1 . + 2]"
1 40 ASP 11.136 0.616 19 13 "[ * ***-*** * * **+2]"
1 41 GLN 24.090 0.807 10 16 "[ *****-**+ **** ***2]"
1 42 GLU 21.693 0.744 13 12 "[* * ** * 1**+*.* -*2]"
1 43 ILE 2.914 0.210 16 0 "[ . 1 . 2]"
1 44 ALA 1.618 0.148 14 0 "[ . 1 . 2]"
1 45 ASN 10.468 0.807 10 7 "[ * . * + * -.* * 2]"
1 46 ILE 3.323 0.368 14 0 "[ . 1 . 2]"
1 47 LEU 2.666 0.350 20 0 "[ . 1 . 2]"
1 48 LYS 3.461 0.419 6 0 "[ . 1 . 2]"
1 49 GLU 6.278 0.727 18 2 "[ .- 1 . + 2]"
1 50 LYS 3.547 0.355 10 0 "[ . 1 . 2]"
1 51 GLY 9.087 0.419 6 0 "[ . 1 . 2]"
1 52 PHE 6.312 0.402 12 0 "[ . 1 . 2]"
1 53 LYS 2.643 0.583 12 3 "[ . 1*+ . - 2]"
1 54 VAL 4.797 0.708 15 4 "[ . 1** + - 2]"
1 55 ALA 4.111 0.350 20 0 "[ . 1 . 2]"
1 56 ARG 5.593 0.449 16 0 "[ . 1 . 2]"
1 57 ARG 1.694 0.464 13 0 "[ . 1 . 2]"
1 58 THR 2.041 0.464 13 0 "[ . 1 . 2]"
1 59 VAL 0.128 0.046 17 0 "[ . 1 . 2]"
1 60 ALA 1.455 0.449 16 0 "[ . 1 . 2]"
1 61 LYS 7.497 0.972 13 4 "[ . 1-*+ * 2]"
1 62 TYR 2.815 0.300 20 0 "[ . 1 . 2]"
1 63 ARG 4.981 0.545 6 2 "[ .+- 1 . 2]"
1 64 GLU 7.567 0.972 13 4 "[ . 1-*+ * 2]"
1 65 MET 7.304 0.563 13 2 "[ - 1 + . 2]"
1 66 LEU 7.265 0.503 7 1 "[ . + 1 . 2]"
1 67 GLY 0.609 0.095 4 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 3 SER HA 1 4 LEU H . . 3.300 2.555 2.231 2.885 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU H 1 4 LEU HB3 . . 3.300 3.332 2.829 4.046 0.746 20 2 "[ . - 1 . +]" 1
3 1 4 LEU HA 1 5 ARG H . . 3.300 2.499 2.177 2.905 . 0 0 "[ . 1 . 2]" 1
4 1 4 LEU HB3 1 4 LEU MD1 . . 2.900 2.861 2.305 3.205 0.305 6 0 "[ . 1 . 2]" 1
5 1 5 ARG H 1 5 ARG HG3 . . 5.000 3.837 2.569 4.881 . 0 0 "[ . 1 . 2]" 1
6 1 5 ARG HA 1 6 THR H . . 2.900 2.486 2.228 2.790 . 0 0 "[ . 1 . 2]" 1
7 1 6 THR HA 1 6 THR MG . . 3.300 2.407 2.208 2.545 . 0 0 "[ . 1 . 2]" 1
8 1 6 THR HA 1 7 PHE H . . 3.300 2.470 2.159 3.130 . 0 0 "[ . 1 . 2]" 1
9 1 6 THR HB 1 7 PHE H . . 5.000 3.493 2.017 4.641 . 0 0 "[ . 1 . 2]" 1
10 1 6 THR MG 1 7 PHE H . . 5.000 2.997 1.880 4.136 . 0 0 "[ . 1 . 2]" 1
11 1 8 PHE H 1 8 PHE HB2 . . 3.300 3.260 2.092 4.033 0.733 10 3 "[ -. + * . 2]" 1
12 1 8 PHE HA 1 9 VAL H . . 5.000 2.498 2.193 3.630 . 0 0 "[ . 1 . 2]" 1
13 1 8 PHE HB2 1 8 PHE QD . . 2.900 2.441 2.275 2.611 . 0 0 "[ . 1 . 2]" 1
14 1 8 PHE HB2 1 9 VAL H . . 5.000 3.680 2.080 4.728 . 0 0 "[ . 1 . 2]" 1
15 1 8 PHE HB3 1 8 PHE QD . . 3.300 2.390 2.279 2.689 . 0 0 "[ . 1 . 2]" 1
16 1 8 PHE HB3 1 9 VAL H . . 5.000 3.558 2.057 4.493 . 0 0 "[ . 1 . 2]" 1
17 1 9 VAL H 1 9 VAL HB . . 3.300 3.080 2.591 3.490 0.190 16 0 "[ . 1 . 2]" 1
18 1 9 VAL H 1 9 VAL MG2 . . 3.300 3.299 1.807 4.018 0.718 7 7 "[* .*+-*1 *. * 2]" 1
19 1 9 VAL H 1 10 ARG H . . 3.300 3.200 2.656 3.362 0.062 4 0 "[ . 1 . 2]" 1
20 1 9 VAL HA 1 9 VAL MG2 . . 3.300 2.390 2.164 3.182 . 0 0 "[ . 1 . 2]" 1
21 1 9 VAL HA 1 10 ARG H . . 3.300 3.059 2.278 3.499 0.199 5 0 "[ . 1 . 2]" 1
22 1 9 VAL HB 1 10 ARG H . . 5.000 3.430 1.889 4.687 . 0 0 "[ . 1 . 2]" 1
23 1 9 VAL MG2 1 10 ARG H . . 5.000 3.378 1.838 4.385 . 0 0 "[ . 1 . 2]" 1
24 1 10 ARG H 1 10 ARG HG3 . . 5.000 4.267 2.500 5.072 0.072 8 0 "[ . 1 . 2]" 1
25 1 10 ARG H 1 11 GLU H . . 3.300 2.896 2.355 3.329 0.029 14 0 "[ . 1 . 2]" 1
26 1 10 ARG HA 1 10 ARG HG3 . . 3.300 2.899 1.981 4.081 0.781 12 2 "[ . 1 + . - 2]" 1
27 1 10 ARG HA 1 11 GLU H . . 5.000 3.133 2.280 3.650 . 0 0 "[ . 1 . 2]" 1
28 1 10 ARG HB3 1 11 GLU H . . 5.000 3.137 1.947 4.680 . 0 0 "[ . 1 . 2]" 1
29 1 10 ARG HD3 1 10 ARG HG3 . . 2.900 2.862 2.480 3.058 0.158 20 0 "[ . 1 . 2]" 1
30 1 11 GLU H 1 11 GLU HB3 . . 3.300 3.585 2.798 4.089 0.789 17 8 "[ **-. 1* * .*+* 2]" 1
31 1 11 GLU H 1 11 GLU HG3 . . 5.000 3.905 2.561 4.824 . 0 0 "[ . 1 . 2]" 1
32 1 12 SER H 1 12 SER HB3 . . 3.300 3.480 2.342 4.081 0.781 1 6 "[+* *.- 1 * . *2]" 1
33 1 12 SER H 1 13 ALA H . . 5.000 4.212 2.496 4.652 . 0 0 "[ . 1 . 2]" 1
34 1 12 SER HA 1 13 ALA H . . 3.300 2.693 2.229 3.277 . 0 0 "[ . 1 . 2]" 1
35 1 12 SER HB3 1 13 ALA H . . 5.000 3.093 1.951 4.671 . 0 0 "[ . 1 . 2]" 1
36 1 13 ALA H 1 13 ALA MB . . 3.300 2.241 1.945 2.759 . 0 0 "[ . 1 . 2]" 1
37 1 13 ALA HA 1 14 GLU H . . 3.300 3.068 2.403 3.516 0.216 10 0 "[ . 1 . 2]" 1
38 1 13 ALA MB 1 14 GLU H . . 3.300 2.031 1.788 2.704 . 0 0 "[ . 1 . 2]" 1
39 1 13 ALA MB 1 14 GLU HB2 . . 5.000 4.046 3.297 5.241 0.241 13 0 "[ . 1 . 2]" 1
40 1 13 ALA MB 1 16 LEU QD . . 5.000 2.278 1.743 2.883 . 0 0 "[ . 1 . 2]" 1
41 1 13 ALA MB 1 21 LEU MD2 . . 5.000 3.604 2.657 4.236 . 0 0 "[ . 1 . 2]" 1
42 1 13 ALA MB 1 52 PHE QD . . 5.000 2.844 1.789 3.870 . 0 0 "[ . 1 . 2]" 1
43 1 14 GLU H 1 14 GLU HB2 . . 2.900 2.709 2.046 3.585 0.685 12 2 "[ . 1 +- . 2]" 1
44 1 14 GLU H 1 14 GLU HB3 . . 3.300 3.237 2.148 3.566 0.266 15 0 "[ . 1 . 2]" 1
45 1 14 GLU H 1 14 GLU QG . . 3.300 3.766 2.366 4.146 0.846 20 13 "[ * . -**** ******+]" 1
46 1 14 GLU H 1 16 LEU QD . . 5.000 3.535 2.943 3.906 . 0 0 "[ . 1 . 2]" 1
47 1 14 GLU HA 1 14 GLU QG . . 3.300 2.334 1.965 3.347 0.047 12 0 "[ . 1 . 2]" 1
48 1 14 GLU HA 1 15 GLY H . . 2.900 2.640 2.231 3.171 0.271 7 0 "[ . 1 . 2]" 1
49 1 14 GLU HB2 1 15 GLY H . . 5.000 4.337 2.641 4.726 . 0 0 "[ . 1 . 2]" 1
50 1 14 GLU HB3 1 15 GLY H . . 5.000 4.074 1.917 4.706 . 0 0 "[ . 1 . 2]" 1
51 1 14 GLU QG 1 15 GLY H . . 5.000 3.659 1.979 4.611 . 0 0 "[ . 1 . 2]" 1
52 1 15 GLY H 1 16 LEU H . . 5.000 2.562 1.879 3.707 . 0 0 "[ . 1 . 2]" 1
53 1 15 GLY HA2 1 16 LEU H . . 3.300 3.243 2.658 3.532 0.232 7 0 "[ . 1 . 2]" 1
54 1 15 GLY HA3 1 16 LEU H . . 3.300 3.407 3.117 3.645 0.345 18 0 "[ . 1 . 2]" 1
55 1 16 LEU H 1 16 LEU HA . . 2.900 2.727 2.262 2.875 . 0 0 "[ . 1 . 2]" 1
56 1 16 LEU H 1 16 LEU QB . . 3.300 2.435 2.005 2.776 . 0 0 "[ . 1 . 2]" 1
57 1 16 LEU H 1 16 LEU QD . . 5.000 2.534 1.853 3.311 . 0 0 "[ . 1 . 2]" 1
58 1 16 LEU H 1 16 LEU HG . . 5.000 2.707 1.927 4.703 . 0 0 "[ . 1 . 2]" 1
59 1 16 LEU H 1 17 THR H . . 5.000 4.565 2.981 4.675 . 0 0 "[ . 1 . 2]" 1
60 1 16 LEU QB 1 17 THR H . . 5.000 2.732 2.226 3.887 . 0 0 "[ . 1 . 2]" 1
61 1 16 LEU QB 1 20 GLU HB2 . . 5.000 2.959 2.556 4.746 . 0 0 "[ . 1 . 2]" 1
62 1 16 LEU QB 1 20 GLU HB3 . . 5.000 2.805 2.122 4.875 . 0 0 "[ . 1 . 2]" 1
63 1 16 LEU QB 1 21 LEU H . . 5.000 4.265 3.743 5.413 0.413 7 0 "[ . 1 . 2]" 1
64 1 16 LEU QD 1 20 GLU HB2 . . 5.000 3.083 1.954 3.744 . 0 0 "[ . 1 . 2]" 1
65 1 16 LEU QD 1 20 GLU HB3 . . 5.000 2.772 1.744 3.688 . 0 0 "[ . 1 . 2]" 1
66 1 16 LEU QD 1 21 LEU H . . 5.000 2.989 2.289 3.603 . 0 0 "[ . 1 . 2]" 1
67 1 16 LEU QD 1 21 LEU HA . . 5.000 2.576 1.854 2.946 . 0 0 "[ . 1 . 2]" 1
68 1 16 LEU QD 1 21 LEU HB2 . . 5.000 2.684 1.948 4.072 . 0 0 "[ . 1 . 2]" 1
69 1 16 LEU QD 1 21 LEU MD1 . . 3.300 3.166 1.878 3.537 0.237 14 0 "[ . 1 . 2]" 1
70 1 16 LEU QD 1 21 LEU HG . . 5.000 3.532 3.095 3.941 . 0 0 "[ . 1 . 2]" 1
71 1 16 LEU QD 1 24 LEU HB2 . . 5.000 3.361 1.882 3.839 . 0 0 "[ . 1 . 2]" 1
72 1 16 LEU QD 1 24 LEU HB3 . . 5.000 3.784 2.590 4.226 . 0 0 "[ . 1 . 2]" 1
73 1 16 LEU QD 1 52 PHE QD . . 5.000 2.476 1.815 3.435 . 0 0 "[ . 1 . 2]" 1
74 1 16 LEU QD 1 52 PHE QE . . 5.000 2.884 1.858 3.914 . 0 0 "[ . 1 . 2]" 1
75 1 16 LEU QD 1 53 LYS H . . 6.000 4.363 2.802 5.116 . 0 0 "[ . 1 . 2]" 1
76 1 17 THR H 1 17 THR MG . . 3.300 2.593 2.477 2.773 . 0 0 "[ . 1 . 2]" 1
77 1 17 THR H 1 18 GLN H . . 5.000 4.617 4.601 4.660 . 0 0 "[ . 1 . 2]" 1
78 1 17 THR H 1 20 GLU HB2 . . 3.300 2.128 1.974 2.398 . 0 0 "[ . 1 . 2]" 1
79 1 17 THR H 1 20 GLU HB3 . . 3.300 3.397 3.290 3.549 0.249 18 0 "[ . 1 . 2]" 1
80 1 17 THR H 1 20 GLU HG3 . . 5.000 3.201 2.229 4.580 . 0 0 "[ . 1 . 2]" 1
81 1 17 THR HA 1 17 THR MG . . 2.900 2.323 2.187 2.406 . 0 0 "[ . 1 . 2]" 1
82 1 17 THR HA 1 18 GLN H . . 2.900 2.363 2.343 2.403 . 0 0 "[ . 1 . 2]" 1
83 1 17 THR HB 1 18 GLN H . . 3.300 2.768 2.665 2.832 . 0 0 "[ . 1 . 2]" 1
84 1 17 THR HB 1 18 GLN HB2 . . 5.000 5.037 4.167 5.862 0.862 14 9 "[ * . 1 **+** **-]" 1
85 1 17 THR HB 1 19 GLY H . . 5.000 2.612 2.559 2.650 . 0 0 "[ . 1 . 2]" 1
86 1 17 THR MG 1 18 GLN H . . 5.000 3.693 3.619 3.753 . 0 0 "[ . 1 . 2]" 1
87 1 17 THR MG 1 20 GLU HB3 . . 5.000 5.251 5.057 5.473 0.473 13 0 "[ . 1 . 2]" 1
88 1 17 THR MG 1 20 GLU HG3 . . 5.000 4.048 3.371 5.362 0.362 2 0 "[ . 1 . 2]" 1
89 1 18 GLN H 1 18 GLN HB2 . . 3.300 2.808 2.019 3.549 0.249 15 0 "[ . 1 . 2]" 1
90 1 18 GLN H 1 19 GLY H . . 3.300 2.747 2.656 2.920 . 0 0 "[ . 1 . 2]" 1
91 1 18 GLN HA 1 21 LEU HB2 . . 5.000 3.030 2.631 3.229 . 0 0 "[ . 1 . 2]" 1
92 1 18 GLN HB2 1 19 GLY H . . 5.000 3.592 2.896 4.041 . 0 0 "[ . 1 . 2]" 1
93 1 18 GLN HB3 1 19 GLY H . . 5.000 3.688 2.892 4.188 . 0 0 "[ . 1 . 2]" 1
94 1 19 GLY H 1 19 GLY HA2 . . 2.900 2.853 2.845 2.870 . 0 0 "[ . 1 . 2]" 1
95 1 19 GLY H 1 19 GLY HA3 . . 2.900 2.259 2.255 2.267 . 0 0 "[ . 1 . 2]" 1
96 1 19 GLY H 1 20 GLU H . . 3.300 2.528 2.475 2.560 . 0 0 "[ . 1 . 2]" 1
97 1 19 GLY HA2 1 20 GLU H . . 5.000 3.605 3.581 3.619 . 0 0 "[ . 1 . 2]" 1
98 1 19 GLY HA3 1 20 GLU H . . 3.300 2.933 2.883 3.005 . 0 0 "[ . 1 . 2]" 1
99 1 20 GLU H 1 20 GLU HB3 . . 3.300 3.395 3.201 3.504 0.204 10 0 "[ . 1 . 2]" 1
100 1 20 GLU H 1 20 GLU HG3 . . 3.300 3.565 2.584 4.272 0.972 14 7 "[*** . - 1 * +. *2]" 1
101 1 20 GLU H 1 21 LEU H . . 2.900 2.637 2.558 2.747 . 0 0 "[ . 1 . 2]" 1
102 1 20 GLU HA 1 20 GLU HG3 . . 3.300 3.324 2.497 3.627 0.327 15 0 "[ . 1 . 2]" 1
103 1 20 GLU HB2 1 21 LEU H . . 5.000 3.028 2.778 3.295 . 0 0 "[ . 1 . 2]" 1
104 1 20 GLU HB3 1 21 LEU H . . 5.000 3.370 3.026 3.655 . 0 0 "[ . 1 . 2]" 1
105 1 20 GLU HB3 1 24 LEU MD1 . . 5.000 2.967 1.967 4.420 . 0 0 "[ . 1 . 2]" 1
106 1 20 GLU HB3 1 24 LEU HG . . 5.000 4.531 3.333 5.360 0.360 2 0 "[ . 1 . 2]" 1
107 1 20 GLU O 1 24 LEU H . . 2.500 1.968 1.670 2.213 . 0 0 "[ . 1 . 2]" 1
108 1 20 GLU O 1 24 LEU N . . 3.500 2.826 2.586 3.053 . 0 0 "[ . 1 . 2]" 1
109 1 21 LEU H 1 21 LEU HB2 . . 2.900 2.094 1.990 2.200 . 0 0 "[ . 1 . 2]" 1
110 1 21 LEU H 1 21 LEU HB3 . . 2.900 2.879 2.713 3.288 0.388 15 0 "[ . 1 . 2]" 1
111 1 21 LEU H 1 21 LEU MD1 . . 5.000 4.118 3.811 4.215 . 0 0 "[ . 1 . 2]" 1
112 1 21 LEU H 1 21 LEU HG . . 5.000 4.498 4.315 4.569 . 0 0 "[ . 1 . 2]" 1
113 1 21 LEU H 1 22 MET H . . 3.300 2.723 2.602 2.964 . 0 0 "[ . 1 . 2]" 1
114 1 21 LEU HA 1 21 LEU MD1 . . 3.300 2.226 1.868 2.666 . 0 0 "[ . 1 . 2]" 1
115 1 21 LEU HA 1 21 LEU MD2 . . 3.300 2.353 1.970 2.839 . 0 0 "[ . 1 . 2]" 1
116 1 21 LEU HA 1 22 MET H . . 5.000 3.594 3.589 3.604 . 0 0 "[ . 1 . 2]" 1
117 1 21 LEU HA 1 24 LEU H . . 3.300 3.264 3.147 3.368 0.068 6 0 "[ . 1 . 2]" 1
118 1 21 LEU HA 1 24 LEU HA . . 5.000 4.875 4.760 5.027 0.027 9 0 "[ . 1 . 2]" 1
119 1 21 LEU HA 1 24 LEU HB2 . . 5.000 2.173 1.898 2.707 . 0 0 "[ . 1 . 2]" 1
120 1 21 LEU HA 1 24 LEU HB3 . . 3.300 2.982 2.116 3.692 0.392 17 0 "[ . 1 . 2]" 1
121 1 21 LEU HA 1 24 LEU MD2 . . 5.000 4.266 4.133 4.391 . 0 0 "[ . 1 . 2]" 1
122 1 21 LEU HB2 1 21 LEU MD2 . . 2.900 2.206 2.007 2.376 . 0 0 "[ . 1 . 2]" 1
123 1 21 LEU HB2 1 22 MET H . . 3.300 3.633 3.133 3.773 0.473 1 0 "[ . 1 . 2]" 1
124 1 21 LEU HB3 1 21 LEU MD2 . . 3.300 3.169 3.104 3.214 . 0 0 "[ . 1 . 2]" 1
125 1 21 LEU HB3 1 25 ILE MD . . 5.000 3.961 3.521 4.216 . 0 0 "[ . 1 . 2]" 1
126 1 21 LEU MD1 1 24 LEU HB2 . . 5.000 2.997 2.356 4.185 . 0 0 "[ . 1 . 2]" 1
127 1 21 LEU MD1 1 24 LEU HB3 . . 2.500 2.771 2.037 3.381 0.881 9 7 "[- *.* *+1 *. * 2]" 1
128 1 21 LEU MD1 1 52 PHE HB2 . . 5.000 4.043 3.014 5.079 0.079 5 0 "[ . 1 . 2]" 1
129 1 21 LEU MD1 1 52 PHE HB3 . . 5.000 3.434 2.574 4.453 . 0 0 "[ . 1 . 2]" 1
130 1 21 LEU MD1 1 52 PHE QD . . 5.000 3.409 2.119 4.794 . 0 0 "[ . 1 . 2]" 1
131 1 21 LEU MD1 1 52 PHE QE . . 5.000 4.282 2.827 5.402 0.402 12 0 "[ . 1 . 2]" 1
132 1 21 LEU MD2 1 54 VAL MG1 . . 5.000 3.910 3.276 4.850 . 0 0 "[ . 1 . 2]" 1
133 1 21 LEU MD2 1 54 VAL MG2 . . 3.300 2.659 1.931 4.008 0.708 15 1 "[ . 1 + 2]" 1
134 1 21 LEU MD2 1 58 THR MG . . 5.000 4.666 4.023 5.149 0.149 4 0 "[ . 1 . 2]" 1
135 1 21 LEU MD2 1 62 TYR QE . . 5.000 4.337 3.631 4.642 . 0 0 "[ . 1 . 2]" 1
136 1 21 LEU HG 1 22 MET H . . 5.000 5.079 4.938 5.226 0.226 15 0 "[ . 1 . 2]" 1
137 1 21 LEU HG 1 54 VAL MG2 . . 5.000 2.961 1.890 3.454 . 0 0 "[ . 1 . 2]" 1
138 1 21 LEU O 1 25 ILE H . . 2.500 1.750 1.556 1.931 . 0 0 "[ . 1 . 2]" 1
139 1 21 LEU O 1 25 ILE N . . 3.500 2.647 2.457 2.817 . 0 0 "[ . 1 . 2]" 1
140 1 22 MET H 1 22 MET HB3 . . 3.300 3.080 2.323 3.522 0.222 10 0 "[ . 1 . 2]" 1
141 1 22 MET H 1 22 MET HG3 . . 5.000 3.230 2.054 4.445 . 0 0 "[ . 1 . 2]" 1
142 1 22 MET H 1 23 LYS H . . 2.900 2.984 2.925 3.042 0.142 12 0 "[ . 1 . 2]" 1
143 1 22 MET H 1 62 TYR QE . . 5.000 2.874 2.401 3.809 . 0 0 "[ . 1 . 2]" 1
144 1 22 MET HA 1 22 MET HB3 . . 2.900 2.770 2.508 3.071 0.171 5 0 "[ . 1 . 2]" 1
145 1 22 MET HA 1 22 MET ME . . 5.000 2.797 2.169 3.313 . 0 0 "[ . 1 . 2]" 1
146 1 22 MET HA 1 22 MET HG2 . . 3.300 2.879 2.241 3.761 0.461 6 0 "[ . 1 . 2]" 1
147 1 22 MET HA 1 22 MET HG3 . . 3.300 3.250 2.457 3.700 0.400 15 0 "[ . 1 . 2]" 1
148 1 22 MET HA 1 23 LYS H . . 5.000 3.643 3.638 3.646 . 0 0 "[ . 1 . 2]" 1
149 1 22 MET HA 1 24 LEU H . . 5.000 4.149 4.035 4.320 . 0 0 "[ . 1 . 2]" 1
150 1 22 MET HA 1 25 ILE H . . 3.300 3.422 3.336 3.497 0.197 2 0 "[ . 1 . 2]" 1
151 1 22 MET HA 1 25 ILE HB . . 3.300 2.883 2.616 3.073 . 0 0 "[ . 1 . 2]" 1
152 1 22 MET HA 1 25 ILE MD . . 5.000 3.454 3.204 3.664 . 0 0 "[ . 1 . 2]" 1
153 1 22 MET HA 1 62 TYR QD . . 5.000 2.605 2.047 3.637 . 0 0 "[ . 1 . 2]" 1
154 1 22 MET HA 1 66 LEU QD . . 5.000 3.105 2.512 3.480 . 0 0 "[ . 1 . 2]" 1
155 1 22 MET HB3 1 22 MET ME . . 2.500 2.553 1.869 3.480 0.980 13 8 "[ ** *1 *+ .*- *]" 1
156 1 22 MET HB3 1 22 MET HG2 . . 2.900 2.649 2.352 3.057 0.157 15 0 "[ . 1 . 2]" 1
157 1 22 MET HB3 1 22 MET HG3 . . 2.900 2.857 2.399 3.032 0.132 9 0 "[ . 1 . 2]" 1
158 1 22 MET HB3 1 23 LYS H . . 5.000 2.838 2.094 3.440 . 0 0 "[ . 1 . 2]" 1
159 1 22 MET HB3 1 62 TYR QE . . 5.000 4.249 3.601 5.144 0.144 5 0 "[ . 1 . 2]" 1
160 1 22 MET HB3 1 66 LEU QD . . 5.000 3.562 2.226 4.880 . 0 0 "[ . 1 . 2]" 1
161 1 22 MET ME 1 22 MET HG2 . . 3.300 2.678 2.398 3.378 0.078 16 0 "[ . 1 . 2]" 1
162 1 22 MET ME 1 62 TYR HB2 . . 5.000 4.657 4.006 5.300 0.300 20 0 "[ . 1 . 2]" 1
163 1 22 MET ME 1 62 TYR QD . . 5.000 2.725 1.753 3.687 . 0 0 "[ . 1 . 2]" 1
164 1 22 MET ME 1 62 TYR QE . . 5.000 3.259 2.050 3.884 . 0 0 "[ . 1 . 2]" 1
165 1 22 MET ME 1 65 MET HA . . 5.000 4.078 3.906 4.192 . 0 0 "[ . 1 . 2]" 1
166 1 22 MET ME 1 65 MET ME . . 5.000 2.428 1.767 3.082 . 0 0 "[ . 1 . 2]" 1
167 1 22 MET ME 1 66 LEU H . . 5.000 3.997 3.473 4.280 . 0 0 "[ . 1 . 2]" 1
168 1 22 MET ME 1 66 LEU QD . . 3.300 2.245 1.608 3.013 . 0 0 "[ . 1 . 2]" 1
169 1 22 MET HG2 1 66 LEU QD . . 5.000 3.838 2.181 4.965 . 0 0 "[ . 1 . 2]" 1
170 1 22 MET HG3 1 23 LYS H . . 5.000 4.018 3.094 4.704 . 0 0 "[ . 1 . 2]" 1
171 1 22 MET HG3 1 66 LEU QD . . 5.000 4.001 1.782 5.201 0.201 10 0 "[ . 1 . 2]" 1
172 1 22 MET O 1 26 LYS H . . 2.500 1.907 1.691 2.191 . 0 0 "[ . 1 . 2]" 1
173 1 22 MET O 1 26 LYS N . . 3.500 2.883 2.687 3.139 . 0 0 "[ . 1 . 2]" 1
174 1 23 LYS H 1 23 LYS HB3 . . 2.900 3.002 2.149 3.520 0.620 13 5 "[- . 1* + * * 2]" 1
175 1 23 LYS H 1 23 LYS HD3 . . 5.000 4.584 3.020 5.450 0.450 3 0 "[ . 1 . 2]" 1
176 1 23 LYS H 1 23 LYS HG3 . . 5.000 3.524 2.345 4.428 . 0 0 "[ . 1 . 2]" 1
177 1 23 LYS H 1 24 LEU H . . 2.900 2.617 2.535 2.671 . 0 0 "[ . 1 . 2]" 1
178 1 23 LYS O 1 27 GLU H . . 2.500 1.857 1.648 2.203 . 0 0 "[ . 1 . 2]" 1
179 1 23 LYS O 1 27 GLU N . . 3.500 2.680 2.543 2.909 . 0 0 "[ . 1 . 2]" 1
180 1 24 LEU H 1 24 LEU HA . . 2.900 2.818 2.815 2.822 . 0 0 "[ . 1 . 2]" 1
181 1 24 LEU H 1 24 LEU HB2 . . 3.300 2.151 1.994 2.392 . 0 0 "[ . 1 . 2]" 1
182 1 24 LEU H 1 24 LEU HB3 . . 2.900 3.174 2.579 3.534 0.634 17 6 "[ .- *1 **. + *2]" 1
183 1 24 LEU H 1 24 LEU MD1 . . 5.000 3.656 3.213 4.190 . 0 0 "[ . 1 . 2]" 1
184 1 24 LEU H 1 24 LEU MD2 . . 5.000 4.135 3.701 4.284 . 0 0 "[ . 1 . 2]" 1
185 1 24 LEU H 1 25 ILE H . . 2.900 2.607 2.567 2.628 . 0 0 "[ . 1 . 2]" 1
186 1 24 LEU HA 1 24 LEU MD2 . . 3.300 2.491 2.144 2.662 . 0 0 "[ . 1 . 2]" 1
187 1 24 LEU HA 1 25 ILE H . . 5.000 3.605 3.588 3.613 . 0 0 "[ . 1 . 2]" 1
188 1 24 LEU HA 1 27 GLU HB2 . . 3.300 2.501 2.184 4.017 0.717 6 1 "[ .+ 1 . 2]" 1
189 1 24 LEU HA 1 27 GLU QG . . 5.000 3.729 2.714 4.253 . 0 0 "[ . 1 . 2]" 1
190 1 24 LEU HB2 1 24 LEU MD1 . . 3.300 2.218 1.994 2.473 . 0 0 "[ . 1 . 2]" 1
191 1 24 LEU HB2 1 24 LEU MD2 . . 3.300 3.182 3.123 3.221 . 0 0 "[ . 1 . 2]" 1
192 1 24 LEU HB2 1 25 ILE H . . 5.000 3.179 2.718 3.832 . 0 0 "[ . 1 . 2]" 1
193 1 24 LEU HB3 1 24 LEU MD1 . . 3.300 2.524 2.176 2.741 . 0 0 "[ . 1 . 2]" 1
194 1 24 LEU HB3 1 25 ILE H . . 3.300 3.138 2.664 3.718 0.418 17 0 "[ . 1 . 2]" 1
195 1 24 LEU MD1 1 24 LEU MD2 . . 2.500 2.040 1.912 2.128 . 0 0 "[ . 1 . 2]" 1
196 1 24 LEU MD1 1 52 PHE QD . . 5.000 3.297 2.143 3.815 . 0 0 "[ . 1 . 2]" 1
197 1 24 LEU MD1 1 52 PHE QE . . 5.000 2.572 1.914 3.024 . 0 0 "[ . 1 . 2]" 1
198 1 24 LEU MD2 1 52 PHE QD . . 6.000 3.878 2.493 4.563 . 0 0 "[ . 1 . 2]" 1
199 1 24 LEU MD2 1 52 PHE QE . . 5.000 2.379 1.826 3.566 . 0 0 "[ . 1 . 2]" 1
200 1 25 ILE H 1 25 ILE HB . . 3.300 2.099 2.025 2.183 . 0 0 "[ . 1 . 2]" 1
201 1 25 ILE H 1 25 ILE MD . . 5.000 3.723 3.572 3.816 . 0 0 "[ . 1 . 2]" 1
202 1 25 ILE H 1 26 LYS H . . 2.900 2.613 2.590 2.687 . 0 0 "[ . 1 . 2]" 1
203 1 25 ILE HA 1 25 ILE MG . . 3.300 2.704 2.580 2.838 . 0 0 "[ . 1 . 2]" 1
204 1 25 ILE HA 1 26 LYS H . . 5.000 3.611 3.604 3.616 . 0 0 "[ . 1 . 2]" 1
205 1 25 ILE HA 1 28 ILE H . . 3.300 3.429 3.309 3.540 0.240 5 0 "[ . 1 . 2]" 1
206 1 25 ILE HA 1 28 ILE HB . . 3.300 3.027 2.526 3.312 0.012 17 0 "[ . 1 . 2]" 1
207 1 25 ILE HA 1 28 ILE MD . . 3.300 2.416 1.975 2.662 . 0 0 "[ . 1 . 2]" 1
208 1 25 ILE HA 1 28 ILE HG12 . . 5.000 4.986 4.733 5.237 0.237 12 0 "[ . 1 . 2]" 1
209 1 25 ILE HA 1 29 VAL H . . 5.000 4.769 4.459 4.926 . 0 0 "[ . 1 . 2]" 1
210 1 25 ILE HB 1 26 LYS H . . 5.000 2.876 2.748 3.020 . 0 0 "[ . 1 . 2]" 1
211 1 25 ILE MD 1 59 VAL HA . . 3.300 2.735 2.598 2.871 . 0 0 "[ . 1 . 2]" 1
212 1 25 ILE MD 1 62 TYR H . . 5.000 4.223 4.106 4.301 . 0 0 "[ . 1 . 2]" 1
213 1 25 ILE MD 1 62 TYR HB2 . . 3.300 2.627 2.554 2.739 . 0 0 "[ . 1 . 2]" 1
214 1 25 ILE MD 1 62 TYR HB3 . . 3.300 2.307 1.933 2.584 . 0 0 "[ . 1 . 2]" 1
215 1 25 ILE MD 1 62 TYR QD . . 3.300 1.980 1.821 2.636 . 0 0 "[ . 1 . 2]" 1
216 1 25 ILE HG12 1 43 ILE HG12 . . 3.300 2.718 1.988 3.474 0.174 19 0 "[ . 1 . 2]" 1
217 1 25 ILE MG 1 26 LYS H . . 5.000 2.873 2.563 3.142 . 0 0 "[ . 1 . 2]" 1
218 1 25 ILE MG 1 26 LYS HA . . 5.000 3.057 2.867 3.293 . 0 0 "[ . 1 . 2]" 1
219 1 25 ILE MG 1 43 ILE HB . . 5.000 3.770 3.455 4.081 . 0 0 "[ . 1 . 2]" 1
220 1 25 ILE MG 1 62 TYR HB3 . . 5.000 2.582 2.401 2.836 . 0 0 "[ . 1 . 2]" 1
221 1 25 ILE MG 1 62 TYR QD . . 5.000 3.186 2.574 3.973 . 0 0 "[ . 1 . 2]" 1
222 1 25 ILE MG 1 63 ARG HA . . 5.000 4.158 4.005 4.260 . 0 0 "[ . 1 . 2]" 1
223 1 25 ILE MG 1 66 LEU HG . . 5.000 3.225 1.947 3.982 . 0 0 "[ . 1 . 2]" 1
224 1 25 ILE O 1 29 VAL H . . 2.500 2.432 2.188 2.586 0.086 4 0 "[ . 1 . 2]" 1
225 1 25 ILE O 1 29 VAL N . . 3.500 3.296 3.090 3.411 . 0 0 "[ . 1 . 2]" 1
226 1 26 LYS H 1 26 LYS HA . . 2.900 2.807 2.800 2.813 . 0 0 "[ . 1 . 2]" 1
227 1 26 LYS H 1 26 LYS HB3 . . 2.900 2.557 2.058 2.977 0.077 4 0 "[ . 1 . 2]" 1
228 1 26 LYS H 1 27 GLU H . . 2.900 2.596 2.562 2.636 . 0 0 "[ . 1 . 2]" 1
229 1 26 LYS H 1 66 LEU QD . . 5.000 2.671 2.128 3.368 . 0 0 "[ . 1 . 2]" 1
230 1 26 LYS HA 1 27 GLU H . . 5.000 3.563 3.498 3.597 . 0 0 "[ . 1 . 2]" 1
231 1 26 LYS HA 1 29 VAL HB . . 5.000 3.185 2.823 4.802 . 0 0 "[ . 1 . 2]" 1
232 1 26 LYS HA 1 29 VAL MG1 . . 5.000 4.067 1.888 4.364 . 0 0 "[ . 1 . 2]" 1
233 1 26 LYS HA 1 29 VAL MG2 . . 3.300 2.241 1.924 4.092 0.792 14 2 "[ . 1 +. -2]" 1
234 1 26 LYS HA 1 66 LEU QD . . 5.000 2.562 1.904 3.781 . 0 0 "[ . 1 . 2]" 1
235 1 26 LYS HB3 1 27 GLU H . . 5.000 3.047 2.776 3.673 . 0 0 "[ . 1 . 2]" 1
236 1 26 LYS HB3 1 27 GLU HA . . 5.000 4.337 3.986 5.425 0.425 20 0 "[ . 1 . 2]" 1
237 1 26 LYS HE3 1 66 LEU QD . . 5.000 4.290 2.017 5.503 0.503 7 1 "[ . + 1 . 2]" 1
238 1 26 LYS HG2 1 27 GLU H . . 5.000 4.420 2.308 5.099 0.099 4 0 "[ . 1 . 2]" 1
239 1 26 LYS HG2 1 66 LEU QD . . 5.000 3.319 2.129 4.181 . 0 0 "[ . 1 . 2]" 1
240 1 26 LYS HG3 1 66 LEU QD . . 5.000 2.926 1.897 4.472 . 0 0 "[ . 1 . 2]" 1
241 1 27 GLU H 1 27 GLU HA . . 2.900 2.750 2.724 2.794 . 0 0 "[ . 1 . 2]" 1
242 1 27 GLU H 1 27 GLU HB2 . . 2.900 2.209 2.023 3.344 0.444 6 0 "[ . 1 . 2]" 1
243 1 27 GLU H 1 27 GLU QG . . 3.300 3.350 2.815 3.839 0.539 7 2 "[ . + -1 . 2]" 1
244 1 27 GLU HA 1 30 GLU H . . 5.000 3.496 3.189 3.904 . 0 0 "[ . 1 . 2]" 1
245 1 27 GLU HA 1 30 GLU QG . . 5.000 3.331 1.826 4.376 . 0 0 "[ . 1 . 2]" 1
246 1 28 ILE H 1 28 ILE HA . . 2.900 2.822 2.813 2.824 . 0 0 "[ . 1 . 2]" 1
247 1 28 ILE H 1 28 ILE HB . . 2.900 2.118 2.046 2.308 . 0 0 "[ . 1 . 2]" 1
248 1 28 ILE H 1 28 ILE QG . . 5.000 3.152 2.438 3.374 . 0 0 "[ . 1 . 2]" 1
249 1 28 ILE H 1 28 ILE HG13 . . 3.300 3.269 2.466 3.521 0.221 19 0 "[ . 1 . 2]" 1
250 1 28 ILE H 1 29 VAL H . . 2.900 2.556 2.523 2.585 . 0 0 "[ . 1 . 2]" 1
251 1 28 ILE HA 1 28 ILE HG12 . . 3.300 3.167 2.904 3.349 0.049 18 0 "[ . 1 . 2]" 1
252 1 28 ILE HA 1 28 ILE QG . . 3.300 2.067 1.970 2.338 . 0 0 "[ . 1 . 2]" 1
253 1 28 ILE HA 1 28 ILE HG13 . . 3.300 2.101 1.988 2.465 . 0 0 "[ . 1 . 2]" 1
254 1 28 ILE HA 1 31 ASN H . . 5.000 4.563 3.954 5.032 0.032 19 0 "[ . 1 . 2]" 1
255 1 28 ILE HB 1 28 ILE MD . . 2.900 2.025 1.942 2.166 . 0 0 "[ . 1 . 2]" 1
256 1 28 ILE HB 1 29 VAL H . . 3.300 3.026 2.874 3.248 . 0 0 "[ . 1 . 2]" 1
257 1 28 ILE HB 1 29 VAL MG2 . . 5.000 3.370 2.844 5.823 0.823 19 2 "[ . 1 -. +2]" 1
258 1 28 ILE MD 1 46 ILE MD . . 5.000 2.839 2.117 3.279 . 0 0 "[ . 1 . 2]" 1
259 1 28 ILE QG 1 46 ILE MD . . 3.300 1.988 1.870 2.181 . 0 0 "[ . 1 . 2]" 1
260 1 28 ILE QG 1 46 ILE MG . . 5.000 2.526 1.971 3.220 . 0 0 "[ . 1 . 2]" 1
261 1 28 ILE HG12 1 28 ILE MG . . 3.300 2.165 2.013 2.210 . 0 0 "[ . 1 . 2]" 1
262 1 28 ILE HG13 1 46 ILE MD . . 5.000 3.400 3.248 3.536 . 0 0 "[ . 1 . 2]" 1
263 1 28 ILE MG 1 29 VAL H . . 5.000 3.096 2.719 3.580 . 0 0 "[ . 1 . 2]" 1
264 1 28 ILE MG 1 29 VAL HA . . 5.000 3.222 3.033 3.486 . 0 0 "[ . 1 . 2]" 1
265 1 28 ILE MG 1 38 TYR QD . . 3.300 2.463 1.844 2.725 . 0 0 "[ . 1 . 2]" 1
266 1 28 ILE MG 1 38 TYR QE . . 5.000 2.830 2.300 3.199 . 0 0 "[ . 1 . 2]" 1
267 1 28 ILE MG 1 43 ILE HA . . 5.000 2.973 2.465 3.642 . 0 0 "[ . 1 . 2]" 1
268 1 28 ILE MG 1 46 ILE MD . . 3.300 1.804 1.651 1.926 . 0 0 "[ . 1 . 2]" 1
269 1 29 VAL H 1 29 VAL HB . . 3.300 2.809 2.623 3.093 . 0 0 "[ . 1 . 2]" 1
270 1 29 VAL H 1 29 VAL MG2 . . 3.300 2.086 1.802 3.636 0.336 14 0 "[ . 1 . 2]" 1
271 1 29 VAL H 1 32 GLU HB3 . . 5.000 5.301 5.171 5.586 0.586 14 2 "[ . 1 +. -2]" 1
272 1 29 VAL HA 1 32 GLU H . . 5.000 3.281 2.661 3.567 . 0 0 "[ . 1 . 2]" 1
273 1 29 VAL HA 1 32 GLU HB2 . . 5.000 3.978 3.831 4.168 . 0 0 "[ . 1 . 2]" 1
274 1 29 VAL HA 1 32 GLU HB3 . . 5.000 2.482 2.335 2.876 . 0 0 "[ . 1 . 2]" 1
275 1 29 VAL HA 1 32 GLU HG2 . . 5.000 4.030 2.546 4.952 . 0 0 "[ . 1 . 2]" 1
276 1 29 VAL HA 1 33 ASP H . . 6.000 5.698 5.503 5.877 . 0 0 "[ . 1 . 2]" 1
277 1 29 VAL HA 1 38 TYR QD . . 5.000 1.925 1.834 2.035 . 0 0 "[ . 1 . 2]" 1
278 1 29 VAL HA 1 38 TYR QE . . 5.000 3.765 2.867 4.125 . 0 0 "[ . 1 . 2]" 1
279 1 29 VAL HA 1 43 ILE MD . . 5.000 4.001 3.870 4.092 . 0 0 "[ . 1 . 2]" 1
280 1 29 VAL MG1 1 30 GLU H . . 5.000 4.304 3.346 4.450 . 0 0 "[ . 1 . 2]" 1
281 1 29 VAL MG1 1 32 GLU H . . 5.000 3.728 3.073 5.369 0.369 14 0 "[ . 1 . 2]" 1
282 1 29 VAL MG1 1 32 GLU HG2 . . 5.000 3.016 1.822 5.734 0.734 14 2 "[ . 1 +. -2]" 1
283 1 29 VAL MG1 1 38 TYR QD . . 5.000 3.110 2.189 4.276 . 0 0 "[ . 1 . 2]" 1
284 1 29 VAL MG1 1 43 ILE MD . . 3.300 3.194 1.817 3.510 0.210 16 0 "[ . 1 . 2]" 1
285 1 29 VAL MG2 1 32 GLU HB2 . . 5.000 5.035 3.428 5.477 0.477 17 0 "[ . 1 . 2]" 1
286 1 29 VAL MG2 1 38 TYR QD . . 5.000 3.457 2.824 3.672 . 0 0 "[ . 1 . 2]" 1
287 1 29 VAL MG2 1 43 ILE MD . . 5.000 1.927 1.647 3.447 . 0 0 "[ . 1 . 2]" 1
288 1 30 GLU H 1 30 GLU HA . . 2.900 2.781 2.665 2.813 . 0 0 "[ . 1 . 2]" 1
289 1 30 GLU H 1 30 GLU HB2 . . 3.300 2.420 2.089 3.530 0.230 14 0 "[ . 1 . 2]" 1
290 1 30 GLU H 1 30 GLU QG . . 3.300 3.500 2.385 3.945 0.645 15 11 "[** ***-** + * *]" 1
291 1 30 GLU H 1 31 ASN H . . 2.900 2.603 2.506 2.884 . 0 0 "[ . 1 . 2]" 1
292 1 30 GLU H 1 32 GLU H . . 5.000 4.540 4.264 4.802 . 0 0 "[ . 1 . 2]" 1
293 1 30 GLU HA 1 31 ASN H . . 5.000 3.519 3.349 3.544 . 0 0 "[ . 1 . 2]" 1
294 1 30 GLU HA 1 32 GLU H . . 6.000 4.639 4.341 4.966 . 0 0 "[ . 1 . 2]" 1
295 1 30 GLU HB2 1 31 ASN H . . 5.000 3.839 3.086 4.401 . 0 0 "[ . 1 . 2]" 1
296 1 30 GLU HB3 1 31 ASN H . . 5.000 3.322 2.981 3.958 . 0 0 "[ . 1 . 2]" 1
297 1 31 ASN H 1 31 ASN QB . . 2.900 2.984 2.555 3.198 0.298 13 0 "[ . 1 . 2]" 1
298 1 31 ASN H 1 31 ASN HD21 . . 5.000 3.710 2.203 4.769 . 0 0 "[ . 1 . 2]" 1
299 1 31 ASN H 1 31 ASN HD22 . . 5.000 4.375 3.237 5.010 0.010 3 0 "[ . 1 . 2]" 1
300 1 31 ASN HA 1 32 GLU H . . 3.300 2.707 2.610 2.818 . 0 0 "[ . 1 . 2]" 1
301 1 31 ASN QB 1 32 GLU H . . 5.000 4.029 3.933 4.124 . 0 0 "[ . 1 . 2]" 1
302 1 31 ASN HD21 1 32 GLU H . . 5.000 5.238 4.504 5.714 0.714 4 4 "[ +. * 1 *. -]" 1
303 1 32 GLU H 1 32 GLU HB3 . . 3.300 2.463 2.290 2.847 . 0 0 "[ . 1 . 2]" 1
304 1 32 GLU H 1 32 GLU HG2 . . 2.900 2.595 1.942 2.948 0.048 19 0 "[ . 1 . 2]" 1
305 1 32 GLU H 1 32 GLU HG3 . . 2.900 2.667 2.067 2.921 0.021 8 0 "[ . 1 . 2]" 1
306 1 32 GLU H 1 33 ASP H . . 5.000 4.433 4.226 4.675 . 0 0 "[ . 1 . 2]" 1
307 1 32 GLU HA 1 32 GLU HB2 . . 2.900 2.465 2.378 2.709 . 0 0 "[ . 1 . 2]" 1
308 1 32 GLU HA 1 32 GLU HB3 . . 2.900 2.485 2.293 2.573 . 0 0 "[ . 1 . 2]" 1
309 1 32 GLU HA 1 33 ASP H . . 2.900 2.878 2.422 3.129 0.229 11 0 "[ . 1 . 2]" 1
310 1 32 GLU HA 1 38 TYR QD . . 5.000 2.197 1.937 3.370 . 0 0 "[ . 1 . 2]" 1
311 1 32 GLU HA 1 38 TYR QE . . 3.300 2.096 1.877 3.122 . 0 0 "[ . 1 . 2]" 1
312 1 32 GLU HB2 1 33 ASP H . . 2.900 2.091 1.912 2.715 . 0 0 "[ . 1 . 2]" 1
313 1 32 GLU HB2 1 38 TYR QD . . 5.000 2.827 2.313 3.567 . 0 0 "[ . 1 . 2]" 1
314 1 32 GLU HB2 1 38 TYR QE . . 5.000 4.249 3.897 4.570 . 0 0 "[ . 1 . 2]" 1
315 1 32 GLU HB3 1 33 ASP H . . 3.300 3.485 3.363 3.632 0.332 17 0 "[ . 1 . 2]" 1
316 1 32 GLU HB3 1 37 PRO HA . . 5.000 3.944 3.274 4.639 . 0 0 "[ . 1 . 2]" 1
317 1 32 GLU HB3 1 38 TYR QD . . 5.000 2.023 1.834 3.354 . 0 0 "[ . 1 . 2]" 1
318 1 32 GLU HB3 1 38 TYR QE . . 5.000 3.877 3.303 4.426 . 0 0 "[ . 1 . 2]" 1
319 1 32 GLU HG2 1 33 ASP H . . 5.000 4.064 3.457 5.239 0.239 9 0 "[ . 1 . 2]" 1
320 1 32 GLU HG3 1 37 PRO HA . . 5.000 4.438 4.101 5.331 0.331 11 0 "[ . 1 . 2]" 1
321 1 33 ASP H 1 33 ASP QB . . 2.900 2.651 2.094 2.816 . 0 0 "[ . 1 . 2]" 1
322 1 33 ASP H 1 37 PRO HA . . 5.000 2.333 1.843 3.288 . 0 0 "[ . 1 . 2]" 1
323 1 33 ASP HA 1 34 LYS H . . 2.500 2.501 2.366 3.147 0.647 11 1 "[ . 1+ . 2]" 1
324 1 33 ASP HA 1 35 ARG H . . 5.000 4.747 4.061 5.119 0.119 17 0 "[ . 1 . 2]" 1
325 1 33 ASP QB 1 34 LYS H . . 5.000 3.124 1.891 3.464 . 0 0 "[ . 1 . 2]" 1
326 1 33 ASP QB 1 36 LYS H . . 5.000 2.034 1.909 2.438 . 0 0 "[ . 1 . 2]" 1
327 1 33 ASP QB 1 36 LYS HB3 . . 5.000 2.802 1.857 5.169 0.169 11 0 "[ . 1 . 2]" 1
328 1 34 LYS H 1 34 LYS HB2 . . 2.900 2.372 2.022 3.575 0.675 6 2 "[ - .+ 1 . 2]" 1
329 1 34 LYS H 1 34 LYS QG . . 3.300 3.178 1.881 3.808 0.508 17 1 "[ . 1 . + 2]" 1
330 1 34 LYS H 1 35 ARG H . . 3.300 2.705 2.389 3.229 . 0 0 "[ . 1 . 2]" 1
331 1 34 LYS HA 1 34 LYS QD . . 3.300 3.312 2.368 3.788 0.488 6 0 "[ . 1 . 2]" 1
332 1 34 LYS HA 1 34 LYS QG . . 3.300 2.267 1.971 3.379 0.079 6 0 "[ . 1 . 2]" 1
333 1 34 LYS HA 1 35 ARG H . . 5.000 3.573 2.755 3.639 . 0 0 "[ . 1 . 2]" 1
334 1 34 LYS HA 1 36 LYS H . . 5.000 3.943 3.645 4.850 . 0 0 "[ . 1 . 2]" 1
335 1 34 LYS HA 1 37 PRO QB . . 5.000 4.155 3.284 4.968 . 0 0 "[ . 1 . 2]" 1
336 1 34 LYS HB2 1 35 ARG H . . 5.000 3.065 2.358 4.495 . 0 0 "[ . 1 . 2]" 1
337 1 34 LYS QG 1 35 ARG H . . 5.000 3.949 1.807 4.594 . 0 0 "[ . 1 . 2]" 1
338 1 35 ARG H 1 35 ARG HB2 . . 3.300 2.425 2.033 3.589 0.289 16 0 "[ . 1 . 2]" 1
339 1 35 ARG H 1 36 LYS H . . 2.900 2.530 1.792 2.767 . 0 0 "[ . 1 . 2]" 1
340 1 35 ARG HA 1 35 ARG HG3 . . 3.300 2.883 1.983 3.969 0.669 5 1 "[ + 1 . 2]" 1
341 1 35 ARG HA 1 36 LYS H . . 3.300 3.386 3.117 3.639 0.339 14 0 "[ . 1 . 2]" 1
342 1 35 ARG HA 1 37 PRO QD . . 5.000 3.571 3.407 3.758 . 0 0 "[ . 1 . 2]" 1
343 1 36 LYS H 1 37 PRO HA . . 5.000 4.208 3.977 4.418 . 0 0 "[ . 1 . 2]" 1
344 1 36 LYS H 1 37 PRO QD . . 2.900 2.778 2.174 3.232 0.332 17 0 "[ . 1 . 2]" 1
345 1 36 LYS HA 1 36 LYS HD3 . . 5.000 4.046 2.580 5.309 0.309 11 0 "[ . 1 . 2]" 1
346 1 36 LYS HA 1 37 PRO QD . . 2.900 2.122 2.036 2.326 . 0 0 "[ . 1 . 2]" 1
347 1 36 LYS HB3 1 36 LYS HD3 . . 3.300 2.971 2.057 3.614 0.314 6 0 "[ . 1 . 2]" 1
348 1 36 LYS HB3 1 37 PRO QD . . 5.000 4.252 4.052 4.370 . 0 0 "[ . 1 . 2]" 1
349 1 36 LYS HG3 1 37 PRO QD . . 5.000 4.206 3.464 5.160 0.160 13 0 "[ . 1 . 2]" 1
350 1 37 PRO HA 1 38 TYR H . . 2.900 2.592 2.298 2.858 . 0 0 "[ . 1 . 2]" 1
351 1 37 PRO QB 1 38 TYR H . . 3.300 2.315 1.793 2.915 . 0 0 "[ . 1 . 2]" 1
352 1 37 PRO QB 1 38 TYR QD . . 5.000 4.914 3.789 5.224 0.224 18 0 "[ . 1 . 2]" 1
353 1 37 PRO QD 1 41 GLN QG . . 6.000 6.085 6.039 6.177 0.177 10 0 "[ . 1 . 2]" 1
354 1 38 TYR H 1 38 TYR QB . . 2.900 2.359 2.061 2.609 . 0 0 "[ . 1 . 2]" 1
355 1 38 TYR HA 1 39 SER H . . 2.900 2.637 2.556 2.771 . 0 0 "[ . 1 . 2]" 1
356 1 38 TYR HA 1 42 GLU HB3 . . 5.000 1.959 1.858 2.218 . 0 0 "[ . 1 . 2]" 1
357 1 38 TYR QB 1 39 SER H . . 5.000 3.944 3.902 3.956 . 0 0 "[ . 1 . 2]" 1
358 1 38 TYR QB 1 42 GLU HB2 . . 5.000 4.686 4.187 5.249 0.249 8 0 "[ . 1 . 2]" 1
359 1 38 TYR QB 1 43 ILE H . . 5.000 3.762 3.139 4.187 . 0 0 "[ . 1 . 2]" 1
360 1 38 TYR QB 1 43 ILE HB . . 5.000 4.021 3.509 4.364 . 0 0 "[ . 1 . 2]" 1
361 1 38 TYR QB 1 43 ILE MD . . 3.300 1.892 1.742 1.978 . 0 0 "[ . 1 . 2]" 1
362 1 38 TYR QB 1 43 ILE HG12 . . 5.000 4.126 3.461 4.412 . 0 0 "[ . 1 . 2]" 1
363 1 38 TYR QB 1 43 ILE HG13 . . 5.000 2.941 1.988 3.757 . 0 0 "[ . 1 . 2]" 1
364 1 38 TYR QD 1 42 GLU HB2 . . 5.000 3.912 3.345 4.801 . 0 0 "[ . 1 . 2]" 1
365 1 38 TYR QD 1 43 ILE MD . . 5.000 3.680 3.160 3.898 . 0 0 "[ . 1 . 2]" 1
366 1 38 TYR QD 1 43 ILE HG13 . . 5.000 3.657 2.829 5.012 0.012 5 0 "[ . 1 . 2]" 1
367 1 38 TYR QD 1 46 ILE MD . . 5.000 2.604 1.938 3.666 . 0 0 "[ . 1 . 2]" 1
368 1 38 TYR QE 1 46 ILE MD . . 5.000 2.516 1.807 3.929 . 0 0 "[ . 1 . 2]" 1
369 1 39 SER H 1 39 SER QB . . 3.300 2.627 2.146 2.894 . 0 0 "[ . 1 . 2]" 1
370 1 39 SER H 1 42 GLU H . . 3.300 3.317 3.193 3.451 0.151 11 0 "[ . 1 . 2]" 1
371 1 39 SER H 1 42 GLU HB2 . . 3.300 2.712 2.438 3.194 . 0 0 "[ . 1 . 2]" 1
372 1 39 SER H 1 42 GLU HB3 . . 2.900 3.211 2.557 3.403 0.503 18 1 "[ . 1 . + 2]" 1
373 1 39 SER H 1 42 GLU QG . . 5.000 4.343 3.882 4.857 . 0 0 "[ . 1 . 2]" 1
374 1 39 SER HA 1 40 ASP H . . 3.300 2.629 2.555 2.802 . 0 0 "[ . 1 . 2]" 1
375 1 39 SER QB 1 40 ASP H . . 3.300 2.475 1.919 3.059 . 0 0 "[ . 1 . 2]" 1
376 1 39 SER QB 1 41 GLN H . . 3.300 2.508 2.245 3.140 . 0 0 "[ . 1 . 2]" 1
377 1 39 SER QB 1 41 GLN QG . . 5.000 4.057 2.932 4.597 . 0 0 "[ . 1 . 2]" 1
378 1 39 SER O 1 43 ILE H . . 2.500 2.060 1.906 2.282 . 0 0 "[ . 1 . 2]" 1
379 1 39 SER O 1 43 ILE N . . 3.500 2.873 2.727 3.039 . 0 0 "[ . 1 . 2]" 1
380 1 40 ASP H 1 40 ASP QB . . 3.300 2.559 2.159 2.778 . 0 0 "[ . 1 . 2]" 1
381 1 40 ASP H 1 41 GLN H . . 3.300 2.803 2.650 2.934 . 0 0 "[ . 1 . 2]" 1
382 1 40 ASP H 1 63 ARG HB2 . . 5.000 4.180 3.337 5.308 0.308 20 0 "[ . 1 . 2]" 1
383 1 40 ASP HA 1 43 ILE HB . . 5.000 3.120 2.874 3.288 . 0 0 "[ . 1 . 2]" 1
384 1 40 ASP HA 1 43 ILE MD . . 5.000 3.835 3.490 4.081 . 0 0 "[ . 1 . 2]" 1
385 1 40 ASP HA 1 43 ILE MG . . 5.000 3.244 3.023 3.419 . 0 0 "[ . 1 . 2]" 1
386 1 40 ASP HA 1 59 VAL HB . . 5.000 3.472 3.159 4.080 . 0 0 "[ . 1 . 2]" 1
387 1 40 ASP HA 1 59 VAL MG1 . . 5.000 1.828 1.747 2.041 . 0 0 "[ . 1 . 2]" 1
388 1 40 ASP QB 1 41 GLN H . . 2.900 3.426 3.227 3.516 0.616 19 13 "[ * ***-*** * * **+2]" 1
389 1 40 ASP QB 1 44 ALA MB . . 5.000 3.646 3.390 4.064 . 0 0 "[ . 1 . 2]" 1
390 1 40 ASP QB 1 59 VAL HB . . 5.000 2.528 2.115 3.398 . 0 0 "[ . 1 . 2]" 1
391 1 40 ASP QB 1 59 VAL MG1 . . 5.000 2.489 2.320 2.681 . 0 0 "[ . 1 . 2]" 1
392 1 40 ASP QB 1 59 VAL MG2 . . 5.000 3.883 3.649 4.315 . 0 0 "[ . 1 . 2]" 1
393 1 40 ASP QB 1 60 ALA MB . . 5.000 3.479 3.074 4.184 . 0 0 "[ . 1 . 2]" 1
394 1 40 ASP QB 1 63 ARG HG2 . . 5.000 4.250 3.055 5.099 0.099 4 0 "[ . 1 . 2]" 1
395 1 40 ASP O 1 44 ALA H . . 2.500 2.038 1.820 2.456 . 0 0 "[ . 1 . 2]" 1
396 1 40 ASP O 1 44 ALA N . . 3.500 2.912 2.724 3.235 . 0 0 "[ . 1 . 2]" 1
397 1 41 GLN H 1 41 GLN HB2 . . 2.900 3.053 2.809 3.375 0.475 11 0 "[ . 1 . 2]" 1
398 1 41 GLN H 1 41 GLN HB3 . . 2.900 2.076 2.029 2.195 . 0 0 "[ . 1 . 2]" 1
399 1 41 GLN H 1 41 GLN QG . . 5.000 3.593 3.023 3.925 . 0 0 "[ . 1 . 2]" 1
400 1 41 GLN H 1 42 GLU H . . 3.300 2.765 2.586 3.020 . 0 0 "[ . 1 . 2]" 1
401 1 41 GLN HA 1 41 GLN QG . . 3.300 3.299 2.943 3.453 0.153 11 0 "[ . 1 . 2]" 1
402 1 41 GLN HA 1 42 GLU HA . . 5.000 4.757 4.666 4.824 . 0 0 "[ . 1 . 2]" 1
403 1 41 GLN HB2 1 42 GLU H . . 5.000 4.018 3.704 4.301 . 0 0 "[ . 1 . 2]" 1
404 1 41 GLN HB3 1 42 GLU H . . 3.300 2.846 2.296 3.420 0.120 11 0 "[ . 1 . 2]" 1
405 1 41 GLN HE21 1 42 GLU HA . . 5.000 3.227 1.936 3.845 . 0 0 "[ . 1 . 2]" 1
406 1 41 GLN HE21 1 45 ASN QB . . 5.000 3.745 3.032 4.089 . 0 0 "[ . 1 . 2]" 1
407 1 41 GLN HE22 1 41 GLN QG . . 3.300 3.232 3.231 3.236 . 0 0 "[ . 1 . 2]" 1
408 1 41 GLN HE22 1 42 GLU HA . . 5.000 4.072 2.233 5.153 0.153 3 0 "[ . 1 . 2]" 1
409 1 41 GLN HE22 1 45 ASN QB . . 3.300 3.568 2.797 4.107 0.807 10 5 "[ * . + * -. * 2]" 1
410 1 41 GLN QG 1 45 ASN QD . . 3.300 3.135 2.107 3.395 0.095 11 0 "[ . 1 . 2]" 1
411 1 42 GLU H 1 42 GLU HA . . 2.900 2.754 2.650 2.847 . 0 0 "[ . 1 . 2]" 1
412 1 42 GLU H 1 42 GLU HB2 . . 2.900 2.162 2.055 2.470 . 0 0 "[ . 1 . 2]" 1
413 1 42 GLU H 1 42 GLU HB3 . . 2.900 2.883 2.485 3.065 0.165 18 0 "[ . 1 . 2]" 1
414 1 42 GLU H 1 42 GLU QG . . 3.300 3.848 3.592 4.044 0.744 13 11 "[* * *- 1**+*.* **2]" 1
415 1 42 GLU HA 1 42 GLU QG . . 3.300 2.361 2.003 3.062 . 0 0 "[ . 1 . 2]" 1
416 1 42 GLU HA 1 45 ASN H . . 3.300 3.228 3.182 3.252 . 0 0 "[ . 1 . 2]" 1
417 1 42 GLU HA 1 45 ASN QB . . 3.300 2.587 2.219 3.967 0.667 16 2 "[ . - 1 .+ 2]" 1
418 1 42 GLU HB3 1 44 ALA H . . 5.000 4.718 4.539 4.822 . 0 0 "[ . 1 . 2]" 1
419 1 42 GLU HB3 1 46 ILE QG . . 5.000 4.248 3.637 4.793 . 0 0 "[ . 1 . 2]" 1
420 1 42 GLU O 1 46 ILE H . . 2.500 1.813 1.695 2.072 . 0 0 "[ . 1 . 2]" 1
421 1 42 GLU O 1 46 ILE N . . 3.500 2.650 2.470 2.820 . 0 0 "[ . 1 . 2]" 1
422 1 43 ILE H 1 43 ILE HA . . 2.900 2.683 2.640 2.699 . 0 0 "[ . 1 . 2]" 1
423 1 43 ILE H 1 43 ILE HB . . 3.300 2.074 2.053 2.124 . 0 0 "[ . 1 . 2]" 1
424 1 43 ILE H 1 43 ILE MD . . 5.000 3.089 2.294 3.554 . 0 0 "[ . 1 . 2]" 1
425 1 43 ILE H 1 43 ILE HG12 . . 5.000 4.219 4.141 4.297 . 0 0 "[ . 1 . 2]" 1
426 1 43 ILE H 1 44 ALA H . . 2.900 2.979 2.947 3.048 0.148 14 0 "[ . 1 . 2]" 1
427 1 43 ILE HA 1 43 ILE HG12 . . 3.300 2.896 2.595 3.324 0.024 5 0 "[ . 1 . 2]" 1
428 1 43 ILE HA 1 44 ALA H . . 5.000 3.614 3.583 3.626 . 0 0 "[ . 1 . 2]" 1
429 1 43 ILE HA 1 46 ILE H . . 3.300 3.163 3.095 3.262 . 0 0 "[ . 1 . 2]" 1
430 1 43 ILE HA 1 46 ILE HB . . 3.300 2.206 1.686 2.680 . 0 0 "[ . 1 . 2]" 1
431 1 43 ILE HA 1 46 ILE MD . . 3.300 2.461 2.044 2.662 . 0 0 "[ . 1 . 2]" 1
432 1 43 ILE HB 1 43 ILE MD . . 2.900 2.055 1.895 2.232 . 0 0 "[ . 1 . 2]" 1
433 1 43 ILE HB 1 44 ALA H . . 3.300 3.018 2.892 3.186 . 0 0 "[ . 1 . 2]" 1
434 1 43 ILE HB 1 59 VAL MG1 . . 3.300 2.836 2.756 2.894 . 0 0 "[ . 1 . 2]" 1
435 1 43 ILE HG13 1 43 ILE MG . . 3.300 3.105 2.813 3.219 . 0 0 "[ . 1 . 2]" 1
436 1 43 ILE MG 1 44 ALA H . . 5.000 2.433 2.341 2.641 . 0 0 "[ . 1 . 2]" 1
437 1 43 ILE MG 1 44 ALA HA . . 5.000 2.823 2.780 2.870 . 0 0 "[ . 1 . 2]" 1
438 1 43 ILE MG 1 44 ALA MB . . 5.000 3.194 3.134 3.417 . 0 0 "[ . 1 . 2]" 1
439 1 43 ILE MG 1 59 VAL MG1 . . 2.500 1.604 1.589 1.622 . 0 0 "[ . 1 . 2]" 1
440 1 43 ILE O 1 47 LEU H . . 2.500 2.086 1.767 2.403 . 0 0 "[ . 1 . 2]" 1
441 1 43 ILE O 1 47 LEU N . . 3.500 2.975 2.698 3.252 . 0 0 "[ . 1 . 2]" 1
442 1 44 ALA H 1 44 ALA HA . . 2.900 2.773 2.759 2.779 . 0 0 "[ . 1 . 2]" 1
443 1 44 ALA H 1 44 ALA MB . . 2.900 2.128 1.932 2.159 . 0 0 "[ . 1 . 2]" 1
444 1 44 ALA H 1 45 ASN H . . 3.300 2.747 2.697 2.863 . 0 0 "[ . 1 . 2]" 1
445 1 44 ALA H 1 59 VAL MG1 . . 5.000 2.468 2.279 2.832 . 0 0 "[ . 1 . 2]" 1
446 1 44 ALA H 1 59 VAL MG2 . . 5.000 3.306 3.168 3.454 . 0 0 "[ . 1 . 2]" 1
447 1 44 ALA HA 1 45 ASN H . . 5.000 3.613 3.594 3.640 . 0 0 "[ . 1 . 2]" 1
448 1 44 ALA HA 1 47 LEU H . . 5.000 3.449 3.339 3.598 . 0 0 "[ . 1 . 2]" 1
449 1 44 ALA HA 1 47 LEU QB . . 5.000 3.067 2.802 3.441 . 0 0 "[ . 1 . 2]" 1
450 1 44 ALA HA 1 47 LEU MD2 . . 3.300 2.199 1.939 2.644 . 0 0 "[ . 1 . 2]" 1
451 1 44 ALA HA 1 54 VAL MG1 . . 5.000 3.842 3.316 4.265 . 0 0 "[ . 1 . 2]" 1
452 1 44 ALA HA 1 56 ARG HA . . 5.000 4.804 4.528 5.032 0.032 2 0 "[ . 1 . 2]" 1
453 1 44 ALA MB 1 45 ASN H . . 3.300 2.564 2.470 2.671 . 0 0 "[ . 1 . 2]" 1
454 1 44 ALA MB 1 45 ASN QD . . 5.000 2.894 2.649 3.372 . 0 0 "[ . 1 . 2]" 1
455 1 44 ALA MB 1 55 ALA HA . . 5.000 3.586 3.122 3.981 . 0 0 "[ . 1 . 2]" 1
456 1 44 ALA MB 1 56 ARG HA . . 3.300 2.584 2.182 2.774 . 0 0 "[ . 1 . 2]" 1
457 1 44 ALA MB 1 59 VAL HB . . 5.000 2.794 2.465 3.194 . 0 0 "[ . 1 . 2]" 1
458 1 44 ALA MB 1 59 VAL MG1 . . 5.000 2.451 2.035 3.049 . 0 0 "[ . 1 . 2]" 1
459 1 44 ALA MB 1 59 VAL MG2 . . 3.300 1.918 1.831 2.074 . 0 0 "[ . 1 . 2]" 1
460 1 45 ASN H 1 45 ASN QB . . 3.300 2.278 2.088 2.854 . 0 0 "[ . 1 . 2]" 1
461 1 45 ASN H 1 45 ASN QD . . 5.000 2.202 2.046 2.509 . 0 0 "[ . 1 . 2]" 1
462 1 45 ASN H 1 46 ILE H . . 3.300 2.560 2.505 2.661 . 0 0 "[ . 1 . 2]" 1
463 1 45 ASN H 1 48 LYS H . . 5.000 4.976 4.651 5.190 0.190 7 0 "[ . 1 . 2]" 1
464 1 45 ASN HA 1 46 ILE H . . 5.000 3.554 3.412 3.606 . 0 0 "[ . 1 . 2]" 1
465 1 45 ASN HA 1 48 LYS H . . 3.300 3.352 3.273 3.456 0.156 8 0 "[ . 1 . 2]" 1
466 1 45 ASN HA 1 48 LYS QB . . 3.300 2.742 2.331 2.999 . 0 0 "[ . 1 . 2]" 1
467 1 45 ASN QB 1 46 ILE H . . 5.000 2.891 2.592 3.746 . 0 0 "[ . 1 . 2]" 1
468 1 46 ILE H 1 46 ILE MD . . 5.000 3.794 3.607 4.114 . 0 0 "[ . 1 . 2]" 1
469 1 46 ILE H 1 46 ILE QG . . 2.900 2.580 2.069 3.268 0.368 14 0 "[ . 1 . 2]" 1
470 1 46 ILE H 1 47 LEU H . . 2.900 2.664 2.416 2.836 . 0 0 "[ . 1 . 2]" 1
471 1 46 ILE HA 1 46 ILE QG . . 3.300 2.211 2.097 2.315 . 0 0 "[ . 1 . 2]" 1
472 1 46 ILE HA 1 47 LEU H . . 6.000 3.606 3.567 3.627 . 0 0 "[ . 1 . 2]" 1
473 1 46 ILE HA 1 49 GLU H . . 3.300 3.421 3.169 3.657 0.357 9 0 "[ . 1 . 2]" 1
474 1 46 ILE HB 1 46 ILE MD . . 3.300 2.385 2.289 2.547 . 0 0 "[ . 1 . 2]" 1
475 1 46 ILE HB 1 47 LEU H . . 3.300 2.844 2.651 3.256 . 0 0 "[ . 1 . 2]" 1
476 1 46 ILE MD 1 46 ILE MG . . 3.300 1.889 1.818 2.030 . 0 0 "[ . 1 . 2]" 1
477 1 46 ILE MG 1 47 LEU H . . 5.000 3.043 2.420 3.438 . 0 0 "[ . 1 . 2]" 1
478 1 46 ILE MG 1 47 LEU QB . . 5.000 4.027 3.240 4.369 . 0 0 "[ . 1 . 2]" 1
479 1 46 ILE MG 1 49 GLU QB . . 5.000 3.339 2.896 4.032 . 0 0 "[ . 1 . 2]" 1
480 1 47 LEU H 1 47 LEU QB . . 2.900 2.172 2.048 2.368 . 0 0 "[ . 1 . 2]" 1
481 1 47 LEU H 1 47 LEU MD1 . . 5.000 3.379 1.832 4.224 . 0 0 "[ . 1 . 2]" 1
482 1 47 LEU H 1 48 LYS H . . 2.900 2.726 2.676 2.825 . 0 0 "[ . 1 . 2]" 1
483 1 47 LEU HA 1 48 LYS H . . 5.000 3.567 3.527 3.594 . 0 0 "[ . 1 . 2]" 1
484 1 47 LEU HA 1 52 PHE QD . . 5.000 3.023 1.980 4.264 . 0 0 "[ . 1 . 2]" 1
485 1 47 LEU QB 1 48 LYS H . . 5.000 3.301 2.835 3.580 . 0 0 "[ . 1 . 2]" 1
486 1 47 LEU QB 1 52 PHE HB2 . . 5.000 2.509 1.947 3.341 . 0 0 "[ . 1 . 2]" 1
487 1 47 LEU QB 1 52 PHE HB3 . . 5.000 3.768 2.729 4.694 . 0 0 "[ . 1 . 2]" 1
488 1 47 LEU QB 1 54 VAL HB . . 5.000 2.680 2.088 3.023 . 0 0 "[ . 1 . 2]" 1
489 1 47 LEU QB 1 54 VAL MG2 . . 3.300 1.917 1.819 2.140 . 0 0 "[ . 1 . 2]" 1
490 1 47 LEU QB 1 55 ALA HA . . 5.000 5.042 4.527 5.350 0.350 20 0 "[ . 1 . 2]" 1
491 1 47 LEU MD2 1 54 VAL HB . . 3.300 1.924 1.764 2.077 . 0 0 "[ . 1 . 2]" 1
492 1 47 LEU MD2 1 54 VAL MG2 . . 5.000 2.544 1.724 3.291 . 0 0 "[ . 1 . 2]" 1
493 1 47 LEU MD2 1 59 VAL MG2 . . 5.000 2.667 2.331 2.990 . 0 0 "[ . 1 . 2]" 1
494 1 48 LYS H 1 48 LYS HA . . 2.900 2.770 2.765 2.773 . 0 0 "[ . 1 . 2]" 1
495 1 48 LYS H 1 48 LYS QB . . 2.900 2.087 1.985 2.250 . 0 0 "[ . 1 . 2]" 1
496 1 48 LYS H 1 48 LYS HG3 . . 5.000 3.866 2.444 4.386 . 0 0 "[ . 1 . 2]" 1
497 1 48 LYS H 1 49 GLU H . . 2.900 2.691 2.674 2.729 . 0 0 "[ . 1 . 2]" 1
498 1 48 LYS H 1 50 LYS H . . 5.000 4.260 3.976 4.478 . 0 0 "[ . 1 . 2]" 1
499 1 48 LYS HA 1 49 GLU H . . 5.000 3.512 3.442 3.600 . 0 0 "[ . 1 . 2]" 1
500 1 48 LYS HA 1 51 GLY H . . 5.000 4.311 2.446 5.419 0.419 6 0 "[ . 1 . 2]" 1
501 1 48 LYS QB 1 49 GLU H . . 3.300 3.075 2.801 3.277 . 0 0 "[ . 1 . 2]" 1
502 1 49 GLU H 1 49 GLU QB . . 2.900 2.279 2.026 2.453 . 0 0 "[ . 1 . 2]" 1
503 1 49 GLU H 1 49 GLU QG . . 2.900 2.594 2.152 3.627 0.727 18 2 "[ .- 1 . + 2]" 1
504 1 49 GLU H 1 50 LYS H . . 2.900 2.793 2.607 2.989 0.089 20 0 "[ . 1 . 2]" 1
505 1 49 GLU HA 1 50 LYS H . . 5.000 3.391 3.122 3.574 . 0 0 "[ . 1 . 2]" 1
506 1 49 GLU HA 1 51 GLY H . . 5.000 5.048 4.598 5.278 0.278 13 0 "[ . 1 . 2]" 1
507 1 49 GLU QB 1 50 LYS H . . 5.000 3.436 2.806 4.002 . 0 0 "[ . 1 . 2]" 1
508 1 50 LYS H 1 50 LYS HB2 . . 3.300 3.040 2.101 3.305 0.005 20 0 "[ . 1 . 2]" 1
509 1 50 LYS H 1 50 LYS HB3 . . 3.300 3.381 2.924 3.655 0.355 10 0 "[ . 1 . 2]" 1
510 1 50 LYS H 1 50 LYS HG3 . . 5.000 4.698 4.083 5.218 0.218 13 0 "[ . 1 . 2]" 1
511 1 50 LYS HA 1 51 GLY H . . 5.000 3.109 2.703 3.636 . 0 0 "[ . 1 . 2]" 1
512 1 50 LYS HB3 1 51 GLY H . . 5.000 3.804 2.698 4.479 . 0 0 "[ . 1 . 2]" 1
513 1 51 GLY H 1 51 GLY HA2 . . 2.900 2.720 2.247 2.961 0.061 9 0 "[ . 1 . 2]" 1
514 1 51 GLY H 1 51 GLY HA3 . . 2.900 2.674 2.386 2.961 0.061 8 0 "[ . 1 . 2]" 1
515 1 51 GLY H 1 52 PHE H . . 2.900 2.461 1.863 3.091 0.191 4 0 "[ . 1 . 2]" 1
516 1 51 GLY HA2 1 52 PHE H . . 3.300 3.256 2.340 3.641 0.341 5 0 "[ . 1 . 2]" 1
517 1 51 GLY HA3 1 52 PHE H . . 3.300 3.097 2.286 3.641 0.341 20 0 "[ . 1 . 2]" 1
518 1 52 PHE H 1 52 PHE HB2 . . 2.900 2.573 1.955 3.214 0.314 5 0 "[ . 1 . 2]" 1
519 1 52 PHE H 1 53 LYS H . . 5.000 3.747 2.155 4.668 . 0 0 "[ . 1 . 2]" 1
520 1 52 PHE HB2 1 54 VAL MG2 . . 3.300 2.307 1.909 2.838 . 0 0 "[ . 1 . 2]" 1
521 1 52 PHE HB3 1 52 PHE QE . . 5.000 4.512 4.439 4.548 . 0 0 "[ . 1 . 2]" 1
522 1 52 PHE HB3 1 53 LYS H . . 5.000 2.944 1.835 4.411 . 0 0 "[ . 1 . 2]" 1
523 1 52 PHE HB3 1 54 VAL MG2 . . 3.300 2.435 1.845 2.826 . 0 0 "[ . 1 . 2]" 1
524 1 53 LYS H 1 53 LYS HB2 . . 3.300 2.744 2.135 3.288 . 0 0 "[ . 1 . 2]" 1
525 1 53 LYS H 1 54 VAL H . . 5.000 3.360 2.308 4.498 . 0 0 "[ . 1 . 2]" 1
526 1 53 LYS H 1 54 VAL MG2 . . 5.000 3.103 2.105 3.753 . 0 0 "[ . 1 . 2]" 1
527 1 53 LYS HA 1 54 VAL H . . 2.900 2.580 2.256 3.483 0.583 12 1 "[ . 1 + . 2]" 1
528 1 53 LYS HG2 1 54 VAL H . . 5.000 4.374 2.128 5.556 0.556 11 2 "[ . 1+ . - 2]" 1
529 1 54 VAL H 1 54 VAL MG2 . . 2.900 2.184 1.897 2.431 . 0 0 "[ . 1 . 2]" 1
530 1 54 VAL HA 1 55 ALA H . . 2.900 2.902 2.594 3.169 0.269 10 0 "[ . 1 . 2]" 1
531 1 54 VAL HA 1 59 VAL MG2 . . 5.000 4.109 4.057 4.227 . 0 0 "[ . 1 . 2]" 1
532 1 54 VAL HB 1 55 ALA H . . 5.000 2.312 1.938 2.837 . 0 0 "[ . 1 . 2]" 1
533 1 54 VAL HB 1 58 THR MG . . 5.000 3.827 3.709 4.036 . 0 0 "[ . 1 . 2]" 1
534 1 54 VAL MG1 1 55 ALA H . . 3.300 1.837 1.772 1.901 . 0 0 "[ . 1 . 2]" 1
535 1 54 VAL MG1 1 58 THR HB . . 3.300 2.262 1.982 2.419 . 0 0 "[ . 1 . 2]" 1
536 1 54 VAL MG1 1 58 THR MG . . 5.000 1.670 1.611 1.789 . 0 0 "[ . 1 . 2]" 1
537 1 54 VAL MG1 1 59 VAL H . . 5.000 2.900 2.739 3.155 . 0 0 "[ . 1 . 2]" 1
538 1 54 VAL MG2 1 58 THR MG . . 5.000 3.395 3.289 3.510 . 0 0 "[ . 1 . 2]" 1
539 1 55 ALA H 1 58 THR HB . . 5.000 2.407 1.920 2.934 . 0 0 "[ . 1 . 2]" 1
540 1 55 ALA H 1 58 THR MG . . 5.000 3.141 2.888 3.393 . 0 0 "[ . 1 . 2]" 1
541 1 55 ALA H 1 59 VAL MG2 . . 5.000 2.048 1.846 2.272 . 0 0 "[ . 1 . 2]" 1
542 1 55 ALA HA 1 56 ARG H . . 3.300 2.307 2.226 2.383 . 0 0 "[ . 1 . 2]" 1
543 1 55 ALA MB 1 56 ARG H . . 5.000 2.899 2.668 3.143 . 0 0 "[ . 1 . 2]" 1
544 1 55 ALA MB 1 57 ARG H . . 5.000 2.668 2.589 2.774 . 0 0 "[ . 1 . 2]" 1
545 1 55 ALA MB 1 58 THR H . . 5.000 2.696 2.514 2.874 . 0 0 "[ . 1 . 2]" 1
546 1 55 ALA MB 1 58 THR HB . . 5.000 2.847 2.520 3.163 . 0 0 "[ . 1 . 2]" 1
547 1 56 ARG H 1 56 ARG HB3 . . 3.300 3.383 2.601 3.601 0.301 19 0 "[ . 1 . 2]" 1
548 1 56 ARG HA 1 58 THR H . . 5.000 4.816 4.348 4.943 . 0 0 "[ . 1 . 2]" 1
549 1 56 ARG HA 1 59 VAL HB . . 5.000 2.692 2.492 3.001 . 0 0 "[ . 1 . 2]" 1
550 1 56 ARG HA 1 59 VAL MG2 . . 3.300 2.350 2.310 2.380 . 0 0 "[ . 1 . 2]" 1
551 1 56 ARG HB3 1 59 VAL MG2 . . 5.000 4.611 4.274 4.789 . 0 0 "[ . 1 . 2]" 1
552 1 56 ARG HB3 1 60 ALA MB . . 5.000 4.315 3.837 5.449 0.449 16 0 "[ . 1 . 2]" 1
553 1 57 ARG H 1 57 ARG QB . . 2.900 2.182 2.000 2.692 . 0 0 "[ . 1 . 2]" 1
554 1 57 ARG H 1 58 THR H . . 3.300 2.816 2.670 2.893 . 0 0 "[ . 1 . 2]" 1
555 1 57 ARG HA 1 58 THR H . . 5.000 3.639 3.589 3.649 . 0 0 "[ . 1 . 2]" 1
556 1 57 ARG HA 1 60 ALA H . . 5.000 3.524 3.435 3.620 . 0 0 "[ . 1 . 2]" 1
557 1 57 ARG HA 1 60 ALA MB . . 3.300 2.563 2.427 2.759 . 0 0 "[ . 1 . 2]" 1
558 1 57 ARG QB 1 58 THR HB . . 5.000 4.183 3.827 5.230 0.230 13 0 "[ . 1 . 2]" 1
559 1 57 ARG QD 1 58 THR HA . . 5.000 4.484 3.058 5.464 0.464 13 0 "[ . 1 . 2]" 1
560 1 58 THR H 1 58 THR HB . . 2.900 2.118 2.043 2.176 . 0 0 "[ . 1 . 2]" 1
561 1 58 THR H 1 59 VAL H . . 2.900 2.720 2.618 2.774 . 0 0 "[ . 1 . 2]" 1
562 1 58 THR H 1 59 VAL MG2 . . 5.000 3.715 3.602 3.758 . 0 0 "[ . 1 . 2]" 1
563 1 58 THR H 1 60 ALA H . . 5.000 4.116 3.846 4.197 . 0 0 "[ . 1 . 2]" 1
564 1 58 THR HA 1 58 THR MG . . 3.300 2.657 2.566 2.730 . 0 0 "[ . 1 . 2]" 1
565 1 58 THR HA 1 59 VAL H . . 5.000 3.604 3.581 3.624 . 0 0 "[ . 1 . 2]" 1
566 1 58 THR HA 1 61 LYS H . . 5.000 3.340 3.254 3.429 . 0 0 "[ . 1 . 2]" 1
567 1 58 THR HA 1 61 LYS QB . . 5.000 2.717 2.491 3.026 . 0 0 "[ . 1 . 2]" 1
568 1 58 THR HA 1 61 LYS QD . . 5.000 4.017 3.144 5.038 0.038 12 0 "[ . 1 . 2]" 1
569 1 58 THR HB 1 59 VAL H . . 2.900 2.817 2.595 2.946 0.046 17 0 "[ . 1 . 2]" 1
570 1 58 THR MG 1 59 VAL H . . 5.000 3.093 2.924 3.290 . 0 0 "[ . 1 . 2]" 1
571 1 58 THR MG 1 61 LYS QB . . 5.000 3.845 3.746 4.007 . 0 0 "[ . 1 . 2]" 1
572 1 58 THR MG 1 62 TYR H . . 5.000 4.027 3.783 4.125 . 0 0 "[ . 1 . 2]" 1
573 1 58 THR MG 1 62 TYR QD . . 5.000 2.811 2.071 3.478 . 0 0 "[ . 1 . 2]" 1
574 1 58 THR MG 1 62 TYR QE . . 5.000 2.376 1.831 3.417 . 0 0 "[ . 1 . 2]" 1
575 1 59 VAL H 1 59 VAL HA . . 2.900 2.790 2.757 2.811 . 0 0 "[ . 1 . 2]" 1
576 1 59 VAL H 1 59 VAL MG2 . . 2.900 1.819 1.773 1.858 . 0 0 "[ . 1 . 2]" 1
577 1 59 VAL H 1 60 ALA H . . 3.300 2.682 2.602 2.767 . 0 0 "[ . 1 . 2]" 1
578 1 59 VAL H 1 60 ALA MB . . 6.000 4.222 4.134 4.329 . 0 0 "[ . 1 . 2]" 1
579 1 59 VAL H 1 61 LYS H . . 5.000 4.149 4.077 4.311 . 0 0 "[ . 1 . 2]" 1
580 1 59 VAL HA 1 59 VAL MG1 . . 3.300 2.270 2.223 2.312 . 0 0 "[ . 1 . 2]" 1
581 1 59 VAL HA 1 59 VAL MG2 . . 3.300 2.544 2.523 2.560 . 0 0 "[ . 1 . 2]" 1
582 1 59 VAL HA 1 60 ALA H . . 5.000 3.604 3.584 3.617 . 0 0 "[ . 1 . 2]" 1
583 1 59 VAL HA 1 62 TYR H . . 5.000 3.165 3.063 3.322 . 0 0 "[ . 1 . 2]" 1
584 1 59 VAL HA 1 62 TYR HB2 . . 3.300 2.255 2.165 2.394 . 0 0 "[ . 1 . 2]" 1
585 1 59 VAL HA 1 62 TYR HB3 . . 5.000 3.761 3.590 3.886 . 0 0 "[ . 1 . 2]" 1
586 1 59 VAL HA 1 62 TYR QD . . 5.000 3.174 1.973 4.071 . 0 0 "[ . 1 . 2]" 1
587 1 59 VAL HB 1 60 ALA H . . 3.300 2.668 2.576 2.814 . 0 0 "[ . 1 . 2]" 1
588 1 59 VAL HB 1 60 ALA HA . . 5.000 4.039 3.993 4.139 . 0 0 "[ . 1 . 2]" 1
589 1 59 VAL MG1 1 59 VAL MG2 . . 2.900 2.068 2.042 2.082 . 0 0 "[ . 1 . 2]" 1
590 1 59 VAL MG2 1 60 ALA H . . 5.000 3.558 3.475 3.688 . 0 0 "[ . 1 . 2]" 1
591 1 60 ALA H 1 60 ALA MB . . 3.300 2.080 1.937 2.160 . 0 0 "[ . 1 . 2]" 1
592 1 60 ALA H 1 61 LYS H . . 3.300 2.749 2.632 2.817 . 0 0 "[ . 1 . 2]" 1
593 1 60 ALA HA 1 61 LYS H . . 5.000 3.607 3.602 3.613 . 0 0 "[ . 1 . 2]" 1
594 1 60 ALA HA 1 63 ARG H . . 5.000 3.342 3.284 3.386 . 0 0 "[ . 1 . 2]" 1
595 1 60 ALA MB 1 61 LYS H . . 3.300 2.631 2.546 2.733 . 0 0 "[ . 1 . 2]" 1
596 1 61 LYS H 1 61 LYS QB . . 3.300 2.090 1.990 2.355 . 0 0 "[ . 1 . 2]" 1
597 1 61 LYS H 1 61 LYS HG2 . . 5.000 4.068 2.242 4.626 . 0 0 "[ . 1 . 2]" 1
598 1 61 LYS H 1 62 TYR H . . 2.900 2.654 2.634 2.681 . 0 0 "[ . 1 . 2]" 1
599 1 61 LYS HA 1 61 LYS QD . . 5.000 3.546 2.565 4.028 . 0 0 "[ . 1 . 2]" 1
600 1 61 LYS HA 1 64 GLU H . . 5.000 3.677 3.508 3.865 . 0 0 "[ . 1 . 2]" 1
601 1 61 LYS HA 1 64 GLU HB2 . . 3.300 3.500 2.884 4.272 0.972 13 4 "[ . 1-*+ * 2]" 1
602 1 61 LYS HA 1 65 MET ME . . 5.000 3.884 3.477 4.105 . 0 0 "[ . 1 . 2]" 1
603 1 61 LYS QB 1 62 TYR H . . 5.000 2.716 2.618 2.809 . 0 0 "[ . 1 . 2]" 1
604 1 61 LYS QB 1 64 GLU H . . 5.000 5.065 4.924 5.204 0.204 19 0 "[ . 1 . 2]" 1
605 1 61 LYS HG2 1 62 TYR H . . 5.000 4.827 4.444 5.249 0.249 3 0 "[ . 1 . 2]" 1
606 1 62 TYR H 1 62 TYR HB2 . . 3.300 2.040 1.952 2.131 . 0 0 "[ . 1 . 2]" 1
607 1 62 TYR H 1 62 TYR HB3 . . 3.300 3.366 3.311 3.405 0.105 5 0 "[ . 1 . 2]" 1
608 1 62 TYR H 1 63 ARG H . . 3.300 2.644 2.604 2.684 . 0 0 "[ . 1 . 2]" 1
609 1 62 TYR H 1 64 GLU H . . 5.000 4.261 4.189 4.343 . 0 0 "[ . 1 . 2]" 1
610 1 62 TYR HA 1 62 TYR QD . . 3.300 2.614 1.921 3.035 . 0 0 "[ . 1 . 2]" 1
611 1 62 TYR HA 1 63 ARG H . . 5.000 3.604 3.584 3.612 . 0 0 "[ . 1 . 2]" 1
612 1 62 TYR HA 1 65 MET H . . 3.300 3.024 2.870 3.219 . 0 0 "[ . 1 . 2]" 1
613 1 62 TYR HA 1 65 MET HB3 . . 5.000 3.790 3.562 4.049 . 0 0 "[ . 1 . 2]" 1
614 1 62 TYR HA 1 65 MET ME . . 5.000 2.099 1.963 2.541 . 0 0 "[ . 1 . 2]" 1
615 1 62 TYR HA 1 65 MET HG3 . . 5.000 3.761 2.698 5.089 0.089 16 0 "[ . 1 . 2]" 1
616 1 62 TYR HA 1 66 LEU QD . . 5.000 3.163 2.743 3.757 . 0 0 "[ . 1 . 2]" 1
617 1 62 TYR HB2 1 63 ARG H . . 3.300 2.640 2.551 2.786 . 0 0 "[ . 1 . 2]" 1
618 1 62 TYR HB3 1 63 ARG H . . 5.000 3.303 3.142 3.398 . 0 0 "[ . 1 . 2]" 1
619 1 62 TYR QD 1 65 MET ME . . 5.000 2.659 2.118 3.127 . 0 0 "[ . 1 . 2]" 1
620 1 62 TYR QE 1 65 MET ME . . 5.000 3.365 2.943 3.732 . 0 0 "[ . 1 . 2]" 1
621 1 63 ARG H 1 63 ARG HB2 . . 2.900 2.293 2.039 2.594 . 0 0 "[ . 1 . 2]" 1
622 1 63 ARG H 1 63 ARG HG2 . . 5.000 4.254 3.389 4.599 . 0 0 "[ . 1 . 2]" 1
623 1 63 ARG H 1 63 ARG HG3 . . 5.000 4.291 3.508 4.551 . 0 0 "[ . 1 . 2]" 1
624 1 63 ARG H 1 64 GLU H . . 3.300 2.853 2.707 2.953 . 0 0 "[ . 1 . 2]" 1
625 1 63 ARG HA 1 63 ARG HG2 . . 3.300 2.631 2.014 3.845 0.545 6 2 "[ .+- 1 . 2]" 1
626 1 63 ARG HA 1 64 GLU H . . 5.000 3.606 3.602 3.610 . 0 0 "[ . 1 . 2]" 1
627 1 63 ARG HA 1 66 LEU H . . 5.000 3.464 3.384 3.527 . 0 0 "[ . 1 . 2]" 1
628 1 63 ARG HA 1 66 LEU QB . . 5.000 3.763 2.612 5.409 0.409 19 0 "[ . 1 . 2]" 1
629 1 63 ARG HA 1 66 LEU QD . . 3.300 2.993 2.137 3.702 0.402 14 0 "[ . 1 . 2]" 1
630 1 63 ARG HA 1 67 GLY H . . 5.000 3.474 2.256 5.037 0.037 12 0 "[ . 1 . 2]" 1
631 1 64 GLU H 1 64 GLU HB2 . . 3.300 2.172 2.039 2.461 . 0 0 "[ . 1 . 2]" 1
632 1 64 GLU H 1 65 MET H . . 2.900 2.553 2.508 2.597 . 0 0 "[ . 1 . 2]" 1
633 1 64 GLU HA 1 64 GLU HB2 . . 2.900 2.755 2.520 2.974 0.074 6 0 "[ . 1 . 2]" 1
634 1 64 GLU HA 1 64 GLU HG2 . . 3.300 2.721 2.017 3.566 0.266 17 0 "[ . 1 . 2]" 1
635 1 64 GLU HA 1 64 GLU HG3 . . 3.300 2.526 1.983 3.281 . 0 0 "[ . 1 . 2]" 1
636 1 64 GLU HA 1 65 MET H . . 5.000 3.587 3.561 3.597 . 0 0 "[ . 1 . 2]" 1
637 1 64 GLU HA 1 67 GLY H . . 5.000 4.299 3.817 5.095 0.095 4 0 "[ . 1 . 2]" 1
638 1 65 MET H 1 65 MET HB3 . . 3.300 3.444 3.330 3.519 0.219 20 0 "[ . 1 . 2]" 1
639 1 65 MET H 1 65 MET ME . . 5.000 3.541 3.090 3.860 . 0 0 "[ . 1 . 2]" 1
640 1 65 MET H 1 65 MET HG2 . . 5.000 3.722 3.190 4.335 . 0 0 "[ . 1 . 2]" 1
641 1 65 MET H 1 65 MET HG3 . . 3.300 2.905 2.156 3.863 0.563 13 2 "[ - 1 + . 2]" 1
642 1 65 MET H 1 66 LEU QD . . 5.000 3.734 3.221 4.432 . 0 0 "[ . 1 . 2]" 1
643 1 65 MET HA 1 65 MET HG2 . . 3.300 2.762 2.300 3.537 0.237 13 0 "[ . 1 . 2]" 1
644 1 65 MET HA 1 66 LEU H . . 5.000 3.559 3.472 3.591 . 0 0 "[ . 1 . 2]" 1
645 1 65 MET HB3 1 65 MET ME . . 5.000 3.514 2.907 3.832 . 0 0 "[ . 1 . 2]" 1
646 1 66 LEU H 1 66 LEU QB . . 2.900 2.672 2.064 3.320 0.420 7 0 "[ . 1 . 2]" 1
647 1 66 LEU H 1 66 LEU QD . . 5.000 2.500 1.796 3.220 . 0 0 "[ . 1 . 2]" 1
648 1 66 LEU HA 1 66 LEU QD . . 3.300 2.642 1.883 3.433 0.133 4 0 "[ . 1 . 2]" 1
649 1 66 LEU HA 1 67 GLY H . . 5.000 3.384 2.227 3.640 . 0 0 "[ . 1 . 2]" 1
650 1 66 LEU QB 1 66 LEU QD . . 2.900 1.896 1.692 2.064 . 0 0 "[ . 1 . 2]" 1
651 1 66 LEU QB 1 67 GLY H . . 5.000 2.725 2.026 4.043 . 0 0 "[ . 1 . 2]" 1
652 1 66 LEU QD 1 67 GLY H . . 5.000 3.495 1.933 4.548 . 0 0 "[ . 1 . 2]" 1
653 1 67 GLY H 1 67 GLY HA3 . . 2.900 2.665 2.247 2.959 0.059 4 0 "[ . 1 . 2]" 1
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