NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
387021 |
1m3b   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1m3b
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 699
_Distance_constraint_stats_list.Viol_count 1034
_Distance_constraint_stats_list.Viol_total 2042.716
_Distance_constraint_stats_list.Viol_max 0.384
_Distance_constraint_stats_list.Viol_rms 0.0323
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0988
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 CYS 3.255 0.177 18 0 "[ . 1 . 2]"
1 3 TYR 2.815 0.253 12 0 "[ . 1 . 2]"
1 4 VAL 7.336 0.260 18 0 "[ . 1 . 2]"
1 5 ARG 11.043 0.371 11 0 "[ . 1 . 2]"
1 6 ALA 8.316 0.319 11 0 "[ . 1 . 2]"
1 7 LEU 1.875 0.119 14 0 "[ . 1 . 2]"
1 8 PHE 3.221 0.134 3 0 "[ . 1 . 2]"
1 9 ASP 2.050 0.134 3 0 "[ . 1 . 2]"
1 10 PHE 1.265 0.113 13 0 "[ . 1 . 2]"
1 11 ASN 0.139 0.074 19 0 "[ . 1 . 2]"
1 13 ASN 0.656 0.110 17 0 "[ . 1 . 2]"
1 14 ASP 2.490 0.189 19 0 "[ . 1 . 2]"
1 15 GLU 0.499 0.120 7 0 "[ . 1 . 2]"
1 16 GLU 1.573 0.149 15 0 "[ . 1 . 2]"
1 17 ASP 1.615 0.189 19 0 "[ . 1 . 2]"
1 18 LEU 0.406 0.180 4 0 "[ . 1 . 2]"
1 19 PRO 0.144 0.074 19 0 "[ . 1 . 2]"
1 20 PHE 0.425 0.180 4 0 "[ . 1 . 2]"
1 21 LYS 1.389 0.182 13 0 "[ . 1 . 2]"
1 22 LYS 3.207 0.182 13 0 "[ . 1 . 2]"
1 23 GLY 1.193 0.148 4 0 "[ . 1 . 2]"
1 24 ASP 1.704 0.135 13 0 "[ . 1 . 2]"
1 25 ILE 2.715 0.206 5 0 "[ . 1 . 2]"
1 26 LEU 11.868 0.324 15 0 "[ . 1 . 2]"
1 27 ARG 14.981 0.260 1 0 "[ . 1 . 2]"
1 28 ILE 1.804 0.135 3 0 "[ . 1 . 2]"
1 29 ARG 0.136 0.053 5 0 "[ . 1 . 2]"
1 30 ASP 0.092 0.092 6 0 "[ . 1 . 2]"
1 31 LYS 0.208 0.208 6 0 "[ . 1 . 2]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLU 3.249 0.259 12 0 "[ . 1 . 2]"
1 34 GLU 0.968 0.134 11 0 "[ . 1 . 2]"
1 35 GLN 2.365 0.332 8 0 "[ . 1 . 2]"
1 36 TRP 3.040 0.189 8 0 "[ . 1 . 2]"
1 37 TRP 7.361 0.272 12 0 "[ . 1 . 2]"
1 38 ASN 2.502 0.275 4 0 "[ . 1 . 2]"
1 39 ALA 3.804 0.260 1 0 "[ . 1 . 2]"
1 40 GLU 3.307 0.213 15 0 "[ . 1 . 2]"
1 41 ASP 2.217 0.139 7 0 "[ . 1 . 2]"
1 42 SER 10.134 0.324 15 0 "[ . 1 . 2]"
1 43 GLU 7.249 0.204 8 0 "[ . 1 . 2]"
1 44 GLY 8.224 0.215 15 0 "[ . 1 . 2]"
1 45 LYS 3.686 0.127 1 0 "[ . 1 . 2]"
1 46 ARG 3.310 0.249 4 0 "[ . 1 . 2]"
1 47 GLY 2.983 0.249 4 0 "[ . 1 . 2]"
1 48 MET 7.370 0.275 4 0 "[ . 1 . 2]"
1 49 ILE 2.218 0.162 2 0 "[ . 1 . 2]"
1 50 PRO 1.016 0.111 18 0 "[ . 1 . 2]"
1 51 VAL 3.763 0.332 8 0 "[ . 1 . 2]"
1 52 PRO 2.848 0.384 16 0 "[ . 1 . 2]"
1 53 TYR 6.285 0.384 16 0 "[ . 1 . 2]"
1 54 VAL 10.339 0.371 11 0 "[ . 1 . 2]"
1 55 GLU 8.705 0.278 11 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 0.605 0.106 5 0 "[ . 1 . 2]"
1 58 GLY 3.255 0.177 18 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 1 CYS N 1 58 GLY C . . 1.330 1.493 1.485 1.507 0.177 18 0 "[ . 1 . 2]" 1
2 1 3 TYR H 1 4 VAL HA . . 6.630 5.067 4.668 5.252 . 0 0 "[ . 1 . 2]" 1
3 1 3 TYR H 1 4 VAL MG1 . . 8.030 4.830 3.629 6.720 . 0 0 "[ . 1 . 2]" 1
4 1 3 TYR H 1 27 ARG HG2 . . 7.000 7.003 5.992 7.253 0.253 12 0 "[ . 1 . 2]" 1
5 1 3 TYR HA 1 4 VAL H . . 2.910 2.498 2.261 3.081 0.171 5 0 "[ . 1 . 2]" 1
6 1 3 TYR HA 1 4 VAL MG1 . . 8.030 3.517 3.102 5.411 . 0 0 "[ . 1 . 2]" 1
7 1 3 TYR HA 1 4 VAL MG2 . . 8.030 4.050 3.039 5.089 . 0 0 "[ . 1 . 2]" 1
8 1 3 TYR HA 1 25 ILE MG . . 8.030 5.374 4.372 5.948 . 0 0 "[ . 1 . 2]" 1
9 1 3 TYR HA 1 27 ARG HA . . 3.960 2.486 1.801 4.092 0.132 5 0 "[ . 1 . 2]" 1
10 1 3 TYR HA 1 27 ARG HB3 . . 7.000 4.767 2.873 7.015 0.015 5 0 "[ . 1 . 2]" 1
11 1 3 TYR HA 1 27 ARG HG2 . . 7.000 4.990 3.781 5.955 . 0 0 "[ . 1 . 2]" 1
12 1 3 TYR HA 1 28 ILE H . . 3.690 2.812 2.202 3.734 0.044 14 0 "[ . 1 . 2]" 1
13 1 3 TYR HA 1 57 TYR HB3 . . 7.000 5.404 4.388 6.897 . 0 0 "[ . 1 . 2]" 1
14 1 3 TYR HB2 1 4 VAL H . . 3.920 3.456 2.208 4.033 0.113 1 0 "[ . 1 . 2]" 1
15 1 3 TYR HB2 1 25 ILE MG . . 8.030 4.423 2.541 5.768 . 0 0 "[ . 1 . 2]" 1
16 1 3 TYR HB2 1 26 LEU H . . 7.000 5.201 3.238 6.437 . 0 0 "[ . 1 . 2]" 1
17 1 3 TYR HB2 1 57 TYR HB2 . . 7.000 4.699 3.599 5.845 . 0 0 "[ . 1 . 2]" 1
18 1 3 TYR HB2 1 57 TYR HB3 . . 7.000 3.578 1.977 5.315 . 0 0 "[ . 1 . 2]" 1
19 1 3 TYR HB3 1 4 VAL H . . 4.930 2.699 1.906 3.616 . 0 0 "[ . 1 . 2]" 1
20 1 3 TYR HB3 1 25 ILE MG . . 8.030 3.769 2.621 4.460 . 0 0 "[ . 1 . 2]" 1
21 1 3 TYR HB3 1 57 TYR HB2 . . 7.000 5.482 3.809 7.067 0.067 18 0 "[ . 1 . 2]" 1
22 1 3 TYR HB3 1 57 TYR HB3 . . 7.000 4.501 2.810 6.331 . 0 0 "[ . 1 . 2]" 1
23 1 4 VAL H 1 5 ARG H . . 4.560 4.468 4.412 4.520 . 0 0 "[ . 1 . 2]" 1
24 1 4 VAL H 1 5 ARG HA . . 4.800 4.768 4.600 4.980 0.180 5 0 "[ . 1 . 2]" 1
25 1 4 VAL H 1 25 ILE MG . . 7.890 4.396 3.497 4.790 . 0 0 "[ . 1 . 2]" 1
26 1 4 VAL H 1 26 LEU H . . 3.370 3.322 2.821 3.506 0.136 10 0 "[ . 1 . 2]" 1
27 1 4 VAL H 1 27 ARG HA . . 6.490 2.790 1.902 3.449 . 0 0 "[ . 1 . 2]" 1
28 1 4 VAL H 1 28 ILE H . . 6.770 3.929 3.288 4.335 . 0 0 "[ . 1 . 2]" 1
29 1 4 VAL H 1 57 TYR HB2 . . 7.000 5.440 4.189 6.265 . 0 0 "[ . 1 . 2]" 1
30 1 4 VAL HA 1 5 ARG H . . 2.580 2.526 2.426 2.610 0.030 18 0 "[ . 1 . 2]" 1
31 1 4 VAL HA 1 5 ARG HB2 . . 4.380 4.040 3.921 4.124 . 0 0 "[ . 1 . 2]" 1
32 1 4 VAL HA 1 5 ARG HB3 . . 5.480 5.485 5.331 5.553 0.073 13 0 "[ . 1 . 2]" 1
33 1 4 VAL HA 1 25 ILE MG . . 8.030 5.940 5.074 6.309 . 0 0 "[ . 1 . 2]" 1
34 1 4 VAL HA 1 26 LEU H . . 4.930 4.935 4.641 5.066 0.136 12 0 "[ . 1 . 2]" 1
35 1 4 VAL HA 1 54 VAL HB . . 4.610 4.291 3.990 4.508 . 0 0 "[ . 1 . 2]" 1
36 1 4 VAL HA 1 55 GLU H . . 3.570 3.786 3.761 3.830 0.260 18 0 "[ . 1 . 2]" 1
37 1 4 VAL HA 1 56 LYS H . . 7.000 4.828 4.351 4.995 . 0 0 "[ . 1 . 2]" 1
38 1 4 VAL HA 1 56 LYS HA . . 4.650 2.781 2.112 3.085 . 0 0 "[ . 1 . 2]" 1
39 1 4 VAL HA 1 56 LYS HB2 . . 7.000 5.354 4.349 5.907 . 0 0 "[ . 1 . 2]" 1
40 1 4 VAL HA 1 57 TYR H . . 2.810 2.523 1.940 2.903 0.093 7 0 "[ . 1 . 2]" 1
41 1 4 VAL HA 1 57 TYR HB2 . . 5.900 3.714 2.699 5.141 . 0 0 "[ . 1 . 2]" 1
42 1 4 VAL HA 1 57 TYR HB3 . . 7.000 3.793 3.021 4.948 . 0 0 "[ . 1 . 2]" 1
43 1 4 VAL MG1 1 5 ARG H . . 8.030 3.605 1.814 4.108 . 0 0 "[ . 1 . 2]" 1
44 1 4 VAL MG1 1 28 ILE H . . 8.030 3.970 2.818 5.541 . 0 0 "[ . 1 . 2]" 1
45 1 4 VAL MG1 1 28 ILE MD . . 9.060 2.502 1.767 4.469 . 0 0 "[ . 1 . 2]" 1
46 1 4 VAL MG1 1 37 TRP HE3 . . 5.080 4.025 3.475 4.228 . 0 0 "[ . 1 . 2]" 1
47 1 4 VAL MG1 1 37 TRP HZ3 . . 8.030 3.966 3.386 4.739 . 0 0 "[ . 1 . 2]" 1
48 1 4 VAL MG1 1 54 VAL HB . . 7.340 3.567 1.741 4.093 . 0 0 "[ . 1 . 2]" 1
49 1 4 VAL MG1 1 54 VAL MG1 . . 7.170 4.040 2.580 4.471 . 0 0 "[ . 1 . 2]" 1
50 1 4 VAL MG1 1 54 VAL MG2 . . 9.060 2.676 1.679 3.320 . 0 0 "[ . 1 . 2]" 1
51 1 4 VAL MG1 1 55 GLU H . . 8.030 4.053 2.145 4.679 . 0 0 "[ . 1 . 2]" 1
52 1 4 VAL MG1 1 56 LYS H . . 8.030 4.802 4.396 5.755 . 0 0 "[ . 1 . 2]" 1
53 1 4 VAL MG1 1 56 LYS HA . . 5.040 3.058 2.436 4.488 . 0 0 "[ . 1 . 2]" 1
54 1 4 VAL MG1 1 56 LYS HB2 . . 8.030 4.759 3.970 6.019 . 0 0 "[ . 1 . 2]" 1
55 1 4 VAL MG1 1 57 TYR H . . 7.750 3.864 3.364 5.185 . 0 0 "[ . 1 . 2]" 1
56 1 4 VAL MG2 1 5 ARG H . . 8.030 3.161 2.035 4.141 . 0 0 "[ . 1 . 2]" 1
57 1 4 VAL MG2 1 5 ARG HA . . 7.610 3.706 3.242 5.369 . 0 0 "[ . 1 . 2]" 1
58 1 4 VAL MG2 1 6 ALA H . . 8.030 4.609 3.799 6.617 . 0 0 "[ . 1 . 2]" 1
59 1 4 VAL MG2 1 6 ALA HA . . 8.030 5.029 4.215 6.861 . 0 0 "[ . 1 . 2]" 1
60 1 4 VAL MG2 1 26 LEU H . . 7.020 3.283 2.063 5.343 . 0 0 "[ . 1 . 2]" 1
61 1 4 VAL MG2 1 26 LEU MD1 . . 8.640 3.368 2.189 5.195 . 0 0 "[ . 1 . 2]" 1
62 1 4 VAL MG2 1 28 ILE H . . 8.030 4.168 2.865 6.074 . 0 0 "[ . 1 . 2]" 1
63 1 4 VAL MG2 1 37 TRP HZ3 . . 8.030 5.281 3.286 6.196 . 0 0 "[ . 1 . 2]" 1
64 1 4 VAL MG2 1 54 VAL HB . . 6.140 2.533 1.868 4.351 . 0 0 "[ . 1 . 2]" 1
65 1 4 VAL MG2 1 54 VAL MG2 . . 8.500 2.407 1.728 3.631 . 0 0 "[ . 1 . 2]" 1
66 1 4 VAL MG2 1 55 GLU H . . 8.030 3.800 2.016 5.084 . 0 0 "[ . 1 . 2]" 1
67 1 5 ARG H 1 5 ARG HA . . 2.840 2.887 2.868 2.912 0.072 12 0 "[ . 1 . 2]" 1
68 1 5 ARG H 1 5 ARG HB3 . . 3.780 3.549 3.415 3.684 . 0 0 "[ . 1 . 2]" 1
69 1 5 ARG H 1 6 ALA H . . 6.540 4.257 4.099 4.308 . 0 0 "[ . 1 . 2]" 1
70 1 5 ARG H 1 54 VAL HA . . 3.600 3.841 3.754 3.971 0.371 11 0 "[ . 1 . 2]" 1
71 1 5 ARG H 1 54 VAL HB . . 5.940 2.641 2.409 2.844 . 0 0 "[ . 1 . 2]" 1
72 1 5 ARG H 1 54 VAL MG2 . . 8.030 3.753 3.405 4.218 . 0 0 "[ . 1 . 2]" 1
73 1 5 ARG H 1 55 GLU H . . 3.180 1.740 1.665 1.836 . 0 0 "[ . 1 . 2]" 1
74 1 5 ARG H 1 55 GLU HG2 . . 7.000 4.596 2.718 5.835 . 0 0 "[ . 1 . 2]" 1
75 1 5 ARG H 1 56 LYS HA . . 7.000 4.362 4.024 4.514 . 0 0 "[ . 1 . 2]" 1
76 1 5 ARG H 1 57 TYR H . . 6.720 4.344 3.706 4.808 . 0 0 "[ . 1 . 2]" 1
77 1 5 ARG H 1 57 TYR HB3 . . 6.820 5.064 4.025 6.008 . 0 0 "[ . 1 . 2]" 1
78 1 5 ARG HA 1 6 ALA H . . 2.490 2.261 2.228 2.303 . 0 0 "[ . 1 . 2]" 1
79 1 5 ARG HA 1 6 ALA HA . . 4.420 4.386 4.375 4.408 . 0 0 "[ . 1 . 2]" 1
80 1 5 ARG HA 1 6 ALA MB . . 8.030 3.910 3.876 3.982 . 0 0 "[ . 1 . 2]" 1
81 1 5 ARG HA 1 25 ILE HA . . 6.540 2.576 2.331 2.787 . 0 0 "[ . 1 . 2]" 1
82 1 5 ARG HA 1 25 ILE MD . . 7.110 4.433 2.807 5.656 . 0 0 "[ . 1 . 2]" 1
83 1 5 ARG HA 1 25 ILE MG . . 8.030 4.454 3.882 4.688 . 0 0 "[ . 1 . 2]" 1
84 1 5 ARG HA 1 26 LEU H . . 4.930 3.044 2.576 3.432 . 0 0 "[ . 1 . 2]" 1
85 1 5 ARG HA 1 26 LEU HG . . 7.000 4.840 3.174 6.754 . 0 0 "[ . 1 . 2]" 1
86 1 5 ARG HA 1 54 VAL HB . . 4.610 4.103 3.630 4.668 0.058 8 0 "[ . 1 . 2]" 1
87 1 5 ARG HA 1 55 GLU H . . 3.930 4.128 4.052 4.208 0.278 11 0 "[ . 1 . 2]" 1
88 1 5 ARG HA 1 57 TYR HB3 . . 7.000 5.759 4.406 6.876 . 0 0 "[ . 1 . 2]" 1
89 1 5 ARG HB2 1 7 LEU MD2 . . 4.350 3.350 2.972 3.665 . 0 0 "[ . 1 . 2]" 1
90 1 5 ARG HB2 1 25 ILE MD . . 8.030 5.010 3.560 6.201 . 0 0 "[ . 1 . 2]" 1
91 1 5 ARG HB2 1 55 GLU HG3 . . 7.000 4.653 2.177 6.548 . 0 0 "[ . 1 . 2]" 1
92 1 5 ARG HB2 1 57 TYR HB3 . . 7.000 4.241 3.212 4.792 . 0 0 "[ . 1 . 2]" 1
93 1 5 ARG HB3 1 25 ILE MD . . 8.030 4.904 3.713 6.031 . 0 0 "[ . 1 . 2]" 1
94 1 5 ARG HB3 1 25 ILE MG . . 7.660 6.090 5.666 6.381 . 0 0 "[ . 1 . 2]" 1
95 1 5 ARG HB3 1 55 GLU HG3 . . 7.000 5.513 3.090 7.068 0.068 10 0 "[ . 1 . 2]" 1
96 1 5 ARG HB3 1 57 TYR HB3 . . 6.260 5.838 4.624 6.366 0.106 5 0 "[ . 1 . 2]" 1
97 1 5 ARG HD2 1 25 ILE MD . . 7.480 3.905 2.743 5.007 . 0 0 "[ . 1 . 2]" 1
98 1 5 ARG HD3 1 25 ILE MD . . 8.030 3.211 1.792 5.133 . 0 0 "[ . 1 . 2]" 1
99 1 6 ALA H 1 7 LEU H . . 4.930 4.479 4.427 4.539 . 0 0 "[ . 1 . 2]" 1
100 1 6 ALA H 1 23 GLY H . . 4.840 4.619 4.327 4.767 . 0 0 "[ . 1 . 2]" 1
101 1 6 ALA H 1 24 ASP H . . 4.290 2.986 2.770 3.312 . 0 0 "[ . 1 . 2]" 1
102 1 6 ALA H 1 24 ASP HB2 . . 7.000 4.369 3.300 5.077 . 0 0 "[ . 1 . 2]" 1
103 1 6 ALA H 1 24 ASP HB3 . . 7.000 3.288 2.827 4.906 . 0 0 "[ . 1 . 2]" 1
104 1 6 ALA H 1 25 ILE H . . 4.610 4.746 4.673 4.816 0.206 5 0 "[ . 1 . 2]" 1
105 1 6 ALA H 1 25 ILE HA . . 4.010 3.700 3.405 3.935 . 0 0 "[ . 1 . 2]" 1
106 1 6 ALA H 1 25 ILE MD . . 8.030 5.393 3.677 6.645 . 0 0 "[ . 1 . 2]" 1
107 1 6 ALA H 1 26 LEU MD1 . . 8.030 3.372 2.155 6.516 . 0 0 "[ . 1 . 2]" 1
108 1 6 ALA H 1 26 LEU HG . . 7.000 4.600 3.241 5.942 . 0 0 "[ . 1 . 2]" 1
109 1 6 ALA H 1 54 VAL HA . . 4.000 4.220 4.114 4.319 0.319 11 0 "[ . 1 . 2]" 1
110 1 6 ALA H 1 54 VAL MG1 . . 8.030 3.412 2.733 3.926 . 0 0 "[ . 1 . 2]" 1
111 1 6 ALA HA 1 7 LEU H . . 2.580 2.191 2.186 2.204 . 0 0 "[ . 1 . 2]" 1
112 1 6 ALA HA 1 8 PHE H . . 4.330 3.891 3.704 4.164 . 0 0 "[ . 1 . 2]" 1
113 1 6 ALA HA 1 23 GLY H . . 4.800 4.859 4.787 4.948 0.148 4 0 "[ . 1 . 2]" 1
114 1 6 ALA HA 1 54 VAL HA . . 4.700 1.943 1.889 2.000 . 0 0 "[ . 1 . 2]" 1
115 1 6 ALA HA 1 54 VAL HB . . 5.900 3.482 3.178 3.869 . 0 0 "[ . 1 . 2]" 1
116 1 6 ALA HA 1 54 VAL MG1 . . 8.030 2.283 1.959 2.866 . 0 0 "[ . 1 . 2]" 1
117 1 6 ALA HA 1 55 GLU H . . 4.060 3.956 3.904 4.021 . 0 0 "[ . 1 . 2]" 1
118 1 6 ALA MB 1 7 LEU H . . 6.830 3.318 3.226 3.409 . 0 0 "[ . 1 . 2]" 1
119 1 6 ALA MB 1 8 PHE H . . 6.650 2.833 2.644 3.077 . 0 0 "[ . 1 . 2]" 1
120 1 6 ALA MB 1 20 PHE HB2 . . 8.030 2.884 2.021 4.522 . 0 0 "[ . 1 . 2]" 1
121 1 6 ALA MB 1 20 PHE HB3 . . 8.030 3.209 2.152 4.530 . 0 0 "[ . 1 . 2]" 1
122 1 6 ALA MB 1 21 LYS H . . 8.030 3.630 2.559 4.781 . 0 0 "[ . 1 . 2]" 1
123 1 6 ALA MB 1 22 LYS H . . 8.030 5.282 4.915 5.723 . 0 0 "[ . 1 . 2]" 1
124 1 6 ALA MB 1 23 GLY H . . 5.310 3.542 3.001 3.881 . 0 0 "[ . 1 . 2]" 1
125 1 6 ALA MB 1 23 GLY HA2 . . 8.030 4.564 4.185 5.014 . 0 0 "[ . 1 . 2]" 1
126 1 6 ALA MB 1 23 GLY HA3 . . 8.030 5.508 5.286 5.927 . 0 0 "[ . 1 . 2]" 1
127 1 6 ALA MB 1 24 ASP H . . 5.360 2.647 2.344 3.171 . 0 0 "[ . 1 . 2]" 1
128 1 6 ALA MB 1 24 ASP HB3 . . 8.030 2.463 1.959 4.056 . 0 0 "[ . 1 . 2]" 1
129 1 6 ALA MB 1 26 LEU MD1 . . 9.060 2.520 1.842 5.278 . 0 0 "[ . 1 . 2]" 1
130 1 6 ALA MB 1 26 LEU MD2 . . 9.060 4.110 2.621 5.126 . 0 0 "[ . 1 . 2]" 1
131 1 6 ALA MB 1 53 TYR HB2 . . 8.030 5.094 4.803 5.275 . 0 0 "[ . 1 . 2]" 1
132 1 6 ALA MB 1 54 VAL HA . . 8.030 3.504 3.428 3.586 . 0 0 "[ . 1 . 2]" 1
133 1 6 ALA MB 1 54 VAL MG1 . . 9.060 2.173 1.841 2.614 . 0 0 "[ . 1 . 2]" 1
134 1 7 LEU H 1 8 PHE H . . 3.040 2.990 2.777 3.116 0.076 13 0 "[ . 1 . 2]" 1
135 1 7 LEU H 1 23 GLY H . . 6.950 4.303 4.121 4.813 . 0 0 "[ . 1 . 2]" 1
136 1 7 LEU H 1 53 TYR HA . . 4.560 4.520 4.328 4.679 0.119 14 0 "[ . 1 . 2]" 1
137 1 7 LEU H 1 54 VAL HA . . 2.860 2.891 2.593 2.978 0.118 4 0 "[ . 1 . 2]" 1
138 1 7 LEU H 1 54 VAL HB . . 7.000 5.150 4.833 5.399 . 0 0 "[ . 1 . 2]" 1
139 1 7 LEU H 1 54 VAL MG1 . . 8.030 4.009 3.709 4.435 . 0 0 "[ . 1 . 2]" 1
140 1 7 LEU HA 1 8 PHE H . . 4.060 2.812 2.701 2.940 . 0 0 "[ . 1 . 2]" 1
141 1 7 LEU HA 1 23 GLY H . . 5.990 2.262 1.919 3.252 . 0 0 "[ . 1 . 2]" 1
142 1 7 LEU MD1 1 52 PRO HA . . 8.030 6.478 6.128 6.666 . 0 0 "[ . 1 . 2]" 1
143 1 7 LEU MD1 1 54 VAL H . . 6.790 5.163 4.332 5.577 . 0 0 "[ . 1 . 2]" 1
144 1 7 LEU MD1 1 54 VAL HA . . 7.520 4.069 3.777 4.805 . 0 0 "[ . 1 . 2]" 1
145 1 7 LEU MD1 1 55 GLU H . . 8.030 4.313 3.957 5.404 . 0 0 "[ . 1 . 2]" 1
146 1 7 LEU MD1 1 55 GLU HB2 . . 6.190 2.736 1.821 4.733 . 0 0 "[ . 1 . 2]" 1
147 1 7 LEU MD1 1 55 GLU HB3 . . 8.030 2.961 1.842 5.162 . 0 0 "[ . 1 . 2]" 1
148 1 7 LEU MD1 1 55 GLU HG3 . . 8.030 3.878 1.953 5.462 . 0 0 "[ . 1 . 2]" 1
149 1 7 LEU MD2 1 54 VAL HA . . 8.030 4.036 2.180 4.881 . 0 0 "[ . 1 . 2]" 1
150 1 7 LEU MD2 1 55 GLU H . . 8.030 3.903 2.978 4.704 . 0 0 "[ . 1 . 2]" 1
151 1 7 LEU MD2 1 55 GLU HB2 . . 6.880 3.250 1.876 4.321 . 0 0 "[ . 1 . 2]" 1
152 1 7 LEU MD2 1 55 GLU HB3 . . 8.030 3.030 1.942 3.619 . 0 0 "[ . 1 . 2]" 1
153 1 7 LEU MD2 1 55 GLU HG2 . . 8.030 3.561 1.933 4.944 . 0 0 "[ . 1 . 2]" 1
154 1 7 LEU MD2 1 55 GLU HG3 . . 6.880 4.200 3.283 5.483 . 0 0 "[ . 1 . 2]" 1
155 1 8 PHE H 1 8 PHE HB2 . . 4.100 2.891 2.760 3.028 . 0 0 "[ . 1 . 2]" 1
156 1 8 PHE H 1 8 PHE HB3 . . 4.190 3.704 3.410 3.892 . 0 0 "[ . 1 . 2]" 1
157 1 8 PHE H 1 9 ASP H . . 5.440 4.010 3.903 4.124 . 0 0 "[ . 1 . 2]" 1
158 1 8 PHE H 1 9 ASP HA . . 4.240 4.323 4.249 4.374 0.134 3 0 "[ . 1 . 2]" 1
159 1 8 PHE H 1 23 GLY H . . 6.910 2.883 2.494 3.311 . 0 0 "[ . 1 . 2]" 1
160 1 8 PHE H 1 53 TYR HB2 . . 7.000 7.031 6.943 7.095 0.095 6 0 "[ . 1 . 2]" 1
161 1 8 PHE H 1 53 TYR HD2 . . 7.000 4.116 3.820 4.484 . 0 0 "[ . 1 . 2]" 1
162 1 8 PHE H 1 54 VAL HA . . 6.540 5.438 5.248 5.668 . 0 0 "[ . 1 . 2]" 1
163 1 8 PHE H 1 54 VAL MG1 . . 8.030 5.245 4.846 5.702 . 0 0 "[ . 1 . 2]" 1
164 1 8 PHE HA 1 9 ASP H . . 2.680 2.207 2.193 2.235 . 0 0 "[ . 1 . 2]" 1
165 1 8 PHE HA 1 22 LYS H . . 5.300 4.964 4.381 5.344 0.044 16 0 "[ . 1 . 2]" 1
166 1 8 PHE HB2 1 9 ASP H . . 4.980 4.492 4.354 4.568 . 0 0 "[ . 1 . 2]" 1
167 1 8 PHE HB2 1 9 ASP HB3 . . 7.000 6.684 6.376 7.069 0.069 16 0 "[ . 1 . 2]" 1
168 1 8 PHE HB2 1 53 TYR HD2 . . 7.000 2.700 1.963 4.028 . 0 0 "[ . 1 . 2]" 1
169 1 8 PHE HB3 1 9 ASP H . . 3.640 3.604 3.422 3.711 0.071 13 0 "[ . 1 . 2]" 1
170 1 8 PHE HB3 1 10 PHE HB3 . . 7.000 6.087 4.924 6.750 . 0 0 "[ . 1 . 2]" 1
171 1 8 PHE HB3 1 53 TYR HD2 . . 7.000 3.087 2.120 3.758 . 0 0 "[ . 1 . 2]" 1
172 1 9 ASP H 1 9 ASP HB2 . . 3.640 2.635 2.275 3.541 . 0 0 "[ . 1 . 2]" 1
173 1 9 ASP H 1 9 ASP HB3 . . 4.150 2.463 2.151 3.491 . 0 0 "[ . 1 . 2]" 1
174 1 9 ASP H 1 21 LYS HA . . 5.210 4.749 4.382 5.232 0.022 16 0 "[ . 1 . 2]" 1
175 1 9 ASP H 1 22 LYS H . . 4.150 3.729 3.289 4.136 . 0 0 "[ . 1 . 2]" 1
176 1 9 ASP H 1 53 TYR HD2 . . 7.000 5.818 5.328 6.188 . 0 0 "[ . 1 . 2]" 1
177 1 9 ASP HA 1 10 PHE H . . 2.580 2.297 2.253 2.412 . 0 0 "[ . 1 . 2]" 1
178 1 9 ASP HA 1 22 LYS H . . 3.090 2.836 2.460 3.015 . 0 0 "[ . 1 . 2]" 1
179 1 9 ASP HA 1 53 TYR HD2 . . 7.000 5.564 4.869 6.236 . 0 0 "[ . 1 . 2]" 1
180 1 9 ASP HB2 1 10 PHE H . . 5.070 4.180 3.137 4.627 . 0 0 "[ . 1 . 2]" 1
181 1 9 ASP HB2 1 21 LYS HA . . 7.000 3.338 2.492 4.914 . 0 0 "[ . 1 . 2]" 1
182 1 9 ASP HB2 1 21 LYS HB2 . . 7.000 5.031 3.693 6.455 . 0 0 "[ . 1 . 2]" 1
183 1 9 ASP HB3 1 10 PHE H . . 4.560 4.154 3.489 4.477 . 0 0 "[ . 1 . 2]" 1
184 1 9 ASP HB3 1 21 LYS HA . . 6.310 4.331 3.342 5.273 . 0 0 "[ . 1 . 2]" 1
185 1 9 ASP HB3 1 22 LYS H . . 7.000 3.761 2.559 4.640 . 0 0 "[ . 1 . 2]" 1
186 1 10 PHE H 1 10 PHE HB2 . . 4.240 2.853 2.341 3.416 . 0 0 "[ . 1 . 2]" 1
187 1 10 PHE H 1 11 ASN HA . . 5.390 4.879 4.255 5.410 0.020 19 0 "[ . 1 . 2]" 1
188 1 10 PHE H 1 20 PHE H . . 3.780 3.570 3.227 3.854 0.074 4 0 "[ . 1 . 2]" 1
189 1 10 PHE H 1 21 LYS HA . . 3.500 3.236 2.773 3.555 0.055 16 0 "[ . 1 . 2]" 1
190 1 10 PHE H 1 22 LYS H . . 4.880 4.871 4.477 4.993 0.113 13 0 "[ . 1 . 2]" 1
191 1 10 PHE H 1 53 TYR HD2 . . 7.000 5.566 4.464 6.462 . 0 0 "[ . 1 . 2]" 1
192 1 10 PHE HA 1 11 ASN H . . 6.630 2.377 2.202 2.617 . 0 0 "[ . 1 . 2]" 1
193 1 10 PHE HA 1 53 TYR HD2 . . 7.000 5.880 4.567 7.057 0.057 16 0 "[ . 1 . 2]" 1
194 1 10 PHE HB2 1 19 PRO HA . . 7.000 5.353 3.510 7.025 0.025 13 0 "[ . 1 . 2]" 1
195 1 10 PHE HB2 1 20 PHE H . . 6.220 4.169 3.293 5.952 . 0 0 "[ . 1 . 2]" 1
196 1 10 PHE HB2 1 20 PHE HZ . . 7.000 4.438 2.376 7.018 0.018 13 0 "[ . 1 . 2]" 1
197 1 10 PHE HB2 1 53 TYR HD2 . . 7.000 4.115 3.340 5.849 . 0 0 "[ . 1 . 2]" 1
198 1 10 PHE HB3 1 20 PHE H . . 7.000 3.040 1.940 4.464 . 0 0 "[ . 1 . 2]" 1
199 1 10 PHE HB3 1 20 PHE HZ . . 7.000 4.417 2.151 6.450 . 0 0 "[ . 1 . 2]" 1
200 1 10 PHE HB3 1 53 TYR HB3 . . 7.000 6.673 5.937 7.078 0.078 19 0 "[ . 1 . 2]" 1
201 1 10 PHE HB3 1 53 TYR HD2 . . 6.220 5.229 4.403 6.135 . 0 0 "[ . 1 . 2]" 1
202 1 10 PHE QD 1 20 PHE H . . 9.120 4.087 2.052 5.779 . 0 0 "[ . 1 . 2]" 1
203 1 11 ASN HA 1 19 PRO HB2 . . 7.000 5.238 2.888 7.074 0.074 19 0 "[ . 1 . 2]" 1
204 1 11 ASN HA 1 19 PRO HB3 . . 6.720 4.629 2.000 6.648 . 0 0 "[ . 1 . 2]" 1
205 1 13 ASN H 1 14 ASP H . . 3.040 2.233 1.852 3.037 . 0 0 "[ . 1 . 2]" 1
206 1 13 ASN H 1 14 ASP HA . . 3.830 3.848 3.691 3.940 0.110 17 0 "[ . 1 . 2]" 1
207 1 13 ASN H 1 14 ASP HB3 . . 7.000 5.209 3.793 5.882 . 0 0 "[ . 1 . 2]" 1
208 1 13 ASN HA 1 14 ASP H . . 6.720 3.124 2.357 3.654 . 0 0 "[ . 1 . 2]" 1
209 1 13 ASN QB 1 14 ASP H . . 4.980 3.398 2.241 4.093 . 0 0 "[ . 1 . 2]" 1
210 1 14 ASP H 1 14 ASP HB2 . . 4.290 3.095 2.008 4.003 . 0 0 "[ . 1 . 2]" 1
211 1 14 ASP H 1 14 ASP HB3 . . 4.380 3.460 2.867 4.069 . 0 0 "[ . 1 . 2]" 1
212 1 14 ASP H 1 17 ASP H . . 4.380 4.218 3.350 4.569 0.189 19 0 "[ . 1 . 2]" 1
213 1 14 ASP HA 1 15 GLU H . . 2.810 2.450 2.252 2.838 0.028 8 0 "[ . 1 . 2]" 1
214 1 14 ASP HA 1 15 GLU HA . . 6.590 4.400 4.323 4.619 . 0 0 "[ . 1 . 2]" 1
215 1 14 ASP HA 1 16 GLU H . . 4.100 4.074 3.526 4.249 0.149 15 0 "[ . 1 . 2]" 1
216 1 14 ASP HA 1 17 ASP H . . 6.820 4.663 3.104 5.910 . 0 0 "[ . 1 . 2]" 1
217 1 14 ASP HB2 1 15 GLU H . . 4.750 3.827 2.581 4.595 . 0 0 "[ . 1 . 2]" 1
218 1 14 ASP HB2 1 16 GLU H . . 5.620 3.844 2.689 5.408 . 0 0 "[ . 1 . 2]" 1
219 1 14 ASP HB2 1 16 GLU HG2 . . 7.000 5.015 1.990 7.014 0.014 11 0 "[ . 1 . 2]" 1
220 1 14 ASP HB2 1 16 GLU HG3 . . 7.000 5.672 3.614 7.029 0.029 19 0 "[ . 1 . 2]" 1
221 1 14 ASP HB2 1 17 ASP H . . 6.630 4.072 2.071 5.907 . 0 0 "[ . 1 . 2]" 1
222 1 14 ASP HB3 1 15 GLU H . . 6.170 3.317 2.236 4.577 . 0 0 "[ . 1 . 2]" 1
223 1 14 ASP HB3 1 16 GLU H . . 4.930 3.591 2.401 4.795 . 0 0 "[ . 1 . 2]" 1
224 1 14 ASP HB3 1 16 GLU HG2 . . 7.000 4.785 2.016 6.728 . 0 0 "[ . 1 . 2]" 1
225 1 14 ASP HB3 1 16 GLU HG3 . . 7.000 5.430 2.640 7.046 0.046 3 0 "[ . 1 . 2]" 1
226 1 14 ASP HB3 1 17 ASP H . . 5.300 4.008 2.104 5.353 0.053 19 0 "[ . 1 . 2]" 1
227 1 15 GLU H 1 16 GLU H . . 4.150 3.192 2.842 3.711 . 0 0 "[ . 1 . 2]" 1
228 1 15 GLU HA 1 16 GLU H . . 3.730 3.100 2.736 3.644 . 0 0 "[ . 1 . 2]" 1
229 1 15 GLU HA 1 17 ASP H . . 4.420 4.260 3.505 4.540 0.120 7 0 "[ . 1 . 2]" 1
230 1 15 GLU QB 1 16 GLU H . . 5.350 3.549 2.362 4.125 . 0 0 "[ . 1 . 2]" 1
231 1 16 GLU H 1 16 GLU HG2 . . 5.570 3.334 2.164 5.186 . 0 0 "[ . 1 . 2]" 1
232 1 16 GLU H 1 16 GLU HG3 . . 4.840 3.804 2.568 4.574 . 0 0 "[ . 1 . 2]" 1
233 1 16 GLU H 1 17 ASP H . . 3.140 2.260 1.739 3.088 . 0 0 "[ . 1 . 2]" 1
234 1 16 GLU HA 1 16 GLU HG3 . . 4.380 3.211 1.975 4.000 . 0 0 "[ . 1 . 2]" 1
235 1 16 GLU HA 1 17 ASP H . . 3.640 3.515 2.837 3.637 . 0 0 "[ . 1 . 2]" 1
236 1 16 GLU HG2 1 17 ASP H . . 7.000 3.576 1.925 5.169 . 0 0 "[ . 1 . 2]" 1
237 1 16 GLU HG2 1 48 MET H . . 7.000 6.419 5.490 7.026 0.026 19 0 "[ . 1 . 2]" 1
238 1 16 GLU HG2 1 48 MET HB3 . . 7.000 6.563 5.370 7.044 0.044 1 0 "[ . 1 . 2]" 1
239 1 16 GLU HG3 1 17 ASP H . . 7.000 3.821 2.209 5.309 . 0 0 "[ . 1 . 2]" 1
240 1 16 GLU HG3 1 48 MET HB3 . . 7.000 6.175 5.219 7.083 0.083 18 0 "[ . 1 . 2]" 1
241 1 17 ASP H 1 18 LEU H . . 5.990 4.385 3.593 4.664 . 0 0 "[ . 1 . 2]" 1
242 1 17 ASP H 1 48 MET HB3 . . 7.000 5.878 4.826 6.982 . 0 0 "[ . 1 . 2]" 1
243 1 17 ASP HA 1 18 LEU H . . 2.630 2.416 2.255 2.603 . 0 0 "[ . 1 . 2]" 1
244 1 17 ASP HA 1 48 MET H . . 2.810 2.748 2.104 2.918 0.108 4 0 "[ . 1 . 2]" 1
245 1 17 ASP HA 1 48 MET HB2 . . 7.000 2.846 1.968 4.117 . 0 0 "[ . 1 . 2]" 1
246 1 17 ASP HA 1 48 MET HB3 . . 7.000 3.584 2.617 4.592 . 0 0 "[ . 1 . 2]" 1
247 1 18 LEU H 1 48 MET H . . 3.550 3.196 2.480 3.657 0.107 4 0 "[ . 1 . 2]" 1
248 1 18 LEU H 1 49 ILE HA . . 6.260 4.540 3.310 5.810 . 0 0 "[ . 1 . 2]" 1
249 1 18 LEU HA 1 19 PRO HD2 . . 5.020 2.492 2.210 2.694 . 0 0 "[ . 1 . 2]" 1
250 1 18 LEU HA 1 19 PRO HD3 . . 5.250 1.938 1.909 2.026 . 0 0 "[ . 1 . 2]" 1
251 1 18 LEU HA 1 19 PRO HG3 . . 7.000 4.202 4.178 4.248 . 0 0 "[ . 1 . 2]" 1
252 1 18 LEU MD1 1 19 PRO HB3 . . 8.030 5.477 4.483 6.278 . 0 0 "[ . 1 . 2]" 1
253 1 18 LEU MD1 1 19 PRO HD3 . . 8.030 3.503 2.648 4.848 . 0 0 "[ . 1 . 2]" 1
254 1 18 LEU MD1 1 45 LYS H . . 8.030 4.661 3.785 6.432 . 0 0 "[ . 1 . 2]" 1
255 1 18 LEU MD1 1 47 GLY H . . 7.940 4.312 2.760 5.287 . 0 0 "[ . 1 . 2]" 1
256 1 18 LEU MD2 1 20 PHE HB2 . . 8.030 5.698 3.886 6.686 . 0 0 "[ . 1 . 2]" 1
257 1 18 LEU MD2 1 26 LEU MD1 . . 7.450 3.486 1.914 4.824 . 0 0 "[ . 1 . 2]" 1
258 1 18 LEU MD2 1 39 ALA H . . 8.030 4.468 3.165 5.847 . 0 0 "[ . 1 . 2]" 1
259 1 18 LEU MD2 1 40 GLU H . . 8.030 5.570 4.654 6.567 . 0 0 "[ . 1 . 2]" 1
260 1 18 LEU MD2 1 40 GLU HA . . 7.150 4.168 3.111 5.328 . 0 0 "[ . 1 . 2]" 1
261 1 18 LEU MD2 1 41 ASP H . . 7.290 3.042 1.917 3.900 . 0 0 "[ . 1 . 2]" 1
262 1 18 LEU MD2 1 41 ASP HB2 . . 7.200 2.463 1.757 5.287 . 0 0 "[ . 1 . 2]" 1
263 1 18 LEU MD2 1 41 ASP HB3 . . 7.570 3.658 2.743 5.395 . 0 0 "[ . 1 . 2]" 1
264 1 18 LEU MD2 1 46 ARG HA . . 7.250 3.874 2.897 5.330 . 0 0 "[ . 1 . 2]" 1
265 1 18 LEU MD2 1 47 GLY H . . 6.000 3.029 1.900 4.702 . 0 0 "[ . 1 . 2]" 1
266 1 18 LEU HG 1 20 PHE HB2 . . 7.000 6.313 4.967 7.180 0.180 4 0 "[ . 1 . 2]" 1
267 1 18 LEU HG 1 26 LEU MD2 . . 6.000 3.801 2.905 5.038 . 0 0 "[ . 1 . 2]" 1
268 1 19 PRO HA 1 19 PRO HB3 . . 3.000 2.303 2.302 2.303 . 0 0 "[ . 1 . 2]" 1
269 1 19 PRO HA 1 20 PHE H . . 2.810 2.276 2.150 2.685 . 0 0 "[ . 1 . 2]" 1
270 1 19 PRO HB2 1 20 PHE H . . 4.790 3.282 2.142 4.122 . 0 0 "[ . 1 . 2]" 1
271 1 19 PRO HB3 1 20 PHE H . . 4.700 3.750 3.159 4.341 . 0 0 "[ . 1 . 2]" 1
272 1 20 PHE H 1 20 PHE HA . . 3.090 2.904 2.792 2.937 . 0 0 "[ . 1 . 2]" 1
273 1 20 PHE H 1 21 LYS H . . 6.030 4.444 4.299 4.579 . 0 0 "[ . 1 . 2]" 1
274 1 20 PHE H 1 21 LYS HA . . 7.000 4.800 4.510 5.299 . 0 0 "[ . 1 . 2]" 1
275 1 20 PHE HA 1 21 LYS H . . 2.910 2.523 2.264 2.861 . 0 0 "[ . 1 . 2]" 1
276 1 20 PHE HA 1 24 ASP HB3 . . 7.000 4.260 3.415 5.308 . 0 0 "[ . 1 . 2]" 1
277 1 20 PHE HA 1 26 LEU MD2 . . 8.030 4.264 3.080 5.844 . 0 0 "[ . 1 . 2]" 1
278 1 20 PHE HB2 1 21 LYS H . . 3.960 2.744 2.077 3.516 . 0 0 "[ . 1 . 2]" 1
279 1 20 PHE HB2 1 24 ASP HB3 . . 6.130 3.719 2.423 5.808 . 0 0 "[ . 1 . 2]" 1
280 1 20 PHE HB2 1 26 LEU MD1 . . 8.030 3.769 2.440 6.372 . 0 0 "[ . 1 . 2]" 1
281 1 20 PHE HB2 1 26 LEU MD2 . . 8.030 4.728 3.715 5.689 . 0 0 "[ . 1 . 2]" 1
282 1 20 PHE HB3 1 21 LYS H . . 4.380 3.254 1.943 3.871 . 0 0 "[ . 1 . 2]" 1
283 1 20 PHE HB3 1 24 ASP H . . 7.000 5.635 4.309 6.600 . 0 0 "[ . 1 . 2]" 1
284 1 20 PHE HB3 1 24 ASP HB3 . . 7.000 3.867 2.574 4.801 . 0 0 "[ . 1 . 2]" 1
285 1 20 PHE HB3 1 26 LEU MD1 . . 8.030 2.950 1.925 6.709 . 0 0 "[ . 1 . 2]" 1
286 1 20 PHE HB3 1 26 LEU MD2 . . 7.290 3.555 2.356 4.808 . 0 0 "[ . 1 . 2]" 1
287 1 20 PHE QD 1 21 LYS H . . 8.800 4.058 2.276 4.800 . 0 0 "[ . 1 . 2]" 1
288 1 20 PHE HZ 1 50 PRO HG3 . . 5.940 3.055 1.976 5.992 0.052 13 0 "[ . 1 . 2]" 1
289 1 21 LYS H 1 24 ASP H . . 5.300 4.143 3.349 4.779 . 0 0 "[ . 1 . 2]" 1
290 1 21 LYS H 1 24 ASP HB3 . . 5.530 3.013 2.224 4.073 . 0 0 "[ . 1 . 2]" 1
291 1 21 LYS HA 1 22 LYS H . . 2.490 2.462 2.306 2.587 0.097 7 0 "[ . 1 . 2]" 1
292 1 21 LYS HB2 1 22 LYS H . . 3.730 3.306 2.426 3.912 0.182 13 0 "[ . 1 . 2]" 1
293 1 21 LYS HB2 1 24 ASP H . . 6.030 5.345 3.603 6.121 0.091 13 0 "[ . 1 . 2]" 1
294 1 21 LYS HB3 1 22 LYS H . . 4.060 3.209 2.263 4.182 0.122 6 0 "[ . 1 . 2]" 1
295 1 21 LYS HB3 1 24 ASP H . . 7.000 5.669 4.405 6.645 . 0 0 "[ . 1 . 2]" 1
296 1 22 LYS H 1 22 LYS QE . . 6.310 4.623 3.415 5.598 . 0 0 "[ . 1 . 2]" 1
297 1 22 LYS H 1 23 GLY H . . 6.030 4.430 3.569 4.629 . 0 0 "[ . 1 . 2]" 1
298 1 22 LYS H 1 24 ASP H . . 5.110 5.184 5.110 5.245 0.135 13 0 "[ . 1 . 2]" 1
299 1 22 LYS QE 1 23 GLY H . . 4.660 3.702 2.360 4.317 . 0 0 "[ . 1 . 2]" 1
300 1 23 GLY H 1 23 GLY HA2 . . 2.720 2.289 2.246 2.533 . 0 0 "[ . 1 . 2]" 1
301 1 23 GLY H 1 23 GLY HA3 . . 3.140 2.864 2.778 2.955 . 0 0 "[ . 1 . 2]" 1
302 1 23 GLY H 1 24 ASP H . . 3.230 2.481 1.978 2.822 . 0 0 "[ . 1 . 2]" 1
303 1 23 GLY HA2 1 24 ASP H . . 3.640 2.889 2.773 3.013 . 0 0 "[ . 1 . 2]" 1
304 1 23 GLY HA2 1 24 ASP HA . . 4.790 4.552 4.468 4.640 . 0 0 "[ . 1 . 2]" 1
305 1 23 GLY HA3 1 24 ASP H . . 5.160 3.615 3.579 3.640 . 0 0 "[ . 1 . 2]" 1
306 1 24 ASP H 1 24 ASP HA . . 2.890 2.875 2.816 2.907 0.017 14 0 "[ . 1 . 2]" 1
307 1 24 ASP H 1 24 ASP HB2 . . 4.290 2.620 2.071 3.594 . 0 0 "[ . 1 . 2]" 1
308 1 24 ASP H 1 24 ASP HB3 . . 3.640 2.630 2.291 3.174 . 0 0 "[ . 1 . 2]" 1
309 1 24 ASP HA 1 25 ILE H . . 2.630 2.524 2.426 2.616 . 0 0 "[ . 1 . 2]" 1
310 1 24 ASP HA 1 25 ILE HB . . 5.990 4.384 4.207 4.766 . 0 0 "[ . 1 . 2]" 1
311 1 24 ASP HB2 1 25 ILE H . . 4.980 3.823 2.465 4.154 . 0 0 "[ . 1 . 2]" 1
312 1 24 ASP HB2 1 26 LEU MD1 . . 8.030 4.369 3.248 6.377 . 0 0 "[ . 1 . 2]" 1
313 1 24 ASP HB2 1 26 LEU MD2 . . 7.800 5.073 3.696 6.186 . 0 0 "[ . 1 . 2]" 1
314 1 24 ASP HB3 1 25 ILE H . . 4.290 3.459 2.728 3.919 . 0 0 "[ . 1 . 2]" 1
315 1 24 ASP HB3 1 26 LEU MD1 . . 8.030 3.266 1.983 5.341 . 0 0 "[ . 1 . 2]" 1
316 1 24 ASP HB3 1 26 LEU MD2 . . 8.030 4.237 2.368 6.644 . 0 0 "[ . 1 . 2]" 1
317 1 24 ASP HB3 1 26 LEU HG . . 7.000 4.004 2.933 5.880 . 0 0 "[ . 1 . 2]" 1
318 1 25 ILE H 1 25 ILE HB . . 3.370 2.345 2.205 2.615 . 0 0 "[ . 1 . 2]" 1
319 1 25 ILE H 1 26 LEU H . . 6.030 4.462 4.252 4.566 . 0 0 "[ . 1 . 2]" 1
320 1 25 ILE H 1 26 LEU MD2 . . 7.750 4.608 2.970 5.586 . 0 0 "[ . 1 . 2]" 1
321 1 25 ILE HA 1 26 LEU H . . 2.490 2.232 2.176 2.320 . 0 0 "[ . 1 . 2]" 1
322 1 25 ILE HB 1 26 LEU H . . 7.000 4.350 4.190 4.582 . 0 0 "[ . 1 . 2]" 1
323 1 25 ILE MD 1 26 LEU H . . 8.030 4.278 2.351 5.271 . 0 0 "[ . 1 . 2]" 1
324 1 25 ILE MD 1 57 TYR HB2 . . 8.030 5.450 3.701 6.686 . 0 0 "[ . 1 . 2]" 1
325 1 25 ILE MD 1 57 TYR HB3 . . 7.480 5.447 3.799 6.258 . 0 0 "[ . 1 . 2]" 1
326 1 25 ILE MG 1 26 LEU H . . 6.230 2.560 2.378 2.993 . 0 0 "[ . 1 . 2]" 1
327 1 25 ILE MG 1 27 ARG H . . 8.030 3.909 3.642 4.474 . 0 0 "[ . 1 . 2]" 1
328 1 25 ILE MG 1 27 ARG HB3 . . 5.270 4.548 4.389 4.657 . 0 0 "[ . 1 . 2]" 1
329 1 25 ILE MG 1 57 TYR HB2 . . 8.030 5.947 4.203 6.548 . 0 0 "[ . 1 . 2]" 1
330 1 26 LEU H 1 26 LEU HA . . 2.720 2.899 2.886 2.922 0.202 13 0 "[ . 1 . 2]" 1
331 1 26 LEU H 1 26 LEU MD2 . . 5.410 4.284 3.048 4.663 . 0 0 "[ . 1 . 2]" 1
332 1 26 LEU H 1 27 ARG H . . 6.030 4.134 4.032 4.261 . 0 0 "[ . 1 . 2]" 1
333 1 26 LEU H 1 27 ARG HA . . 4.240 4.406 4.342 4.490 0.250 13 0 "[ . 1 . 2]" 1
334 1 26 LEU HA 1 27 ARG H . . 3.270 2.188 2.176 2.225 . 0 0 "[ . 1 . 2]" 1
335 1 26 LEU HA 1 27 ARG HA . . 6.860 4.311 4.297 4.325 . 0 0 "[ . 1 . 2]" 1
336 1 26 LEU HA 1 27 ARG HB3 . . 5.440 4.444 4.218 5.019 . 0 0 "[ . 1 . 2]" 1
337 1 26 LEU HA 1 39 ALA MB . . 8.030 3.574 3.320 3.939 . 0 0 "[ . 1 . 2]" 1
338 1 26 LEU HA 1 40 GLU H . . 6.450 4.432 4.043 4.825 . 0 0 "[ . 1 . 2]" 1
339 1 26 LEU HA 1 41 ASP HB2 . . 7.000 4.914 4.540 5.365 . 0 0 "[ . 1 . 2]" 1
340 1 26 LEU HA 1 41 ASP HB3 . . 6.400 5.286 4.243 5.571 . 0 0 "[ . 1 . 2]" 1
341 1 26 LEU HA 1 42 SER H . . 3.980 4.162 4.087 4.304 0.324 15 0 "[ . 1 . 2]" 1
342 1 26 LEU MD1 1 39 ALA MB . . 6.850 3.472 2.027 4.302 . 0 0 "[ . 1 . 2]" 1
343 1 26 LEU MD1 1 54 VAL MG1 . . 9.060 2.725 1.676 5.145 . 0 0 "[ . 1 . 2]" 1
344 1 26 LEU MD1 1 54 VAL MG2 . . 9.060 4.424 3.270 6.158 . 0 0 "[ . 1 . 2]" 1
345 1 26 LEU MD2 1 27 ARG H . . 8.030 3.933 3.006 4.872 . 0 0 "[ . 1 . 2]" 1
346 1 26 LEU MD2 1 40 GLU H . . 8.030 4.636 3.275 6.401 . 0 0 "[ . 1 . 2]" 1
347 1 26 LEU MD2 1 41 ASP H . . 6.830 3.179 2.286 5.043 . 0 0 "[ . 1 . 2]" 1
348 1 26 LEU MD2 1 41 ASP HB2 . . 6.560 2.772 1.881 4.256 . 0 0 "[ . 1 . 2]" 1
349 1 26 LEU MD2 1 41 ASP HB3 . . 7.340 3.628 2.076 4.753 . 0 0 "[ . 1 . 2]" 1
350 1 26 LEU MD2 1 42 SER H . . 6.230 3.774 3.015 4.630 . 0 0 "[ . 1 . 2]" 1
351 1 26 LEU HG 1 41 ASP HA . . 7.000 3.218 2.110 4.744 . 0 0 "[ . 1 . 2]" 1
352 1 27 ARG H 1 27 ARG HB2 . . 3.690 3.239 2.965 3.654 . 0 0 "[ . 1 . 2]" 1
353 1 27 ARG H 1 27 ARG HB3 . . 3.780 2.471 2.143 3.198 . 0 0 "[ . 1 . 2]" 1
354 1 27 ARG H 1 28 ILE H . . 6.720 4.546 4.349 4.614 . 0 0 "[ . 1 . 2]" 1
355 1 27 ARG H 1 39 ALA HA . . 4.380 4.570 4.485 4.640 0.260 1 0 "[ . 1 . 2]" 1
356 1 27 ARG H 1 39 ALA MB . . 8.030 3.191 2.940 3.466 . 0 0 "[ . 1 . 2]" 1
357 1 27 ARG H 1 40 GLU HB2 . . 4.750 4.865 4.794 4.963 0.213 15 0 "[ . 1 . 2]" 1
358 1 27 ARG H 1 40 GLU HB3 . . 7.000 3.612 3.484 3.863 . 0 0 "[ . 1 . 2]" 1
359 1 27 ARG H 1 41 ASP HA . . 3.600 3.639 3.410 3.739 0.139 7 0 "[ . 1 . 2]" 1
360 1 27 ARG HA 1 28 ILE H . . 2.810 2.346 2.227 2.567 . 0 0 "[ . 1 . 2]" 1
361 1 27 ARG HA 1 28 ILE HA . . 4.290 4.373 4.353 4.425 0.135 3 0 "[ . 1 . 2]" 1
362 1 27 ARG HA 1 28 ILE HB . . 4.930 4.456 4.130 4.842 . 0 0 "[ . 1 . 2]" 1
363 1 27 ARG HB2 1 28 ILE H . . 5.110 3.525 2.371 4.345 . 0 0 "[ . 1 . 2]" 1
364 1 27 ARG HB2 1 40 GLU H . . 7.000 4.300 3.699 4.542 . 0 0 "[ . 1 . 2]" 1
365 1 27 ARG HB2 1 40 GLU HG3 . . 7.000 6.950 6.590 7.203 0.203 7 0 "[ . 1 . 2]" 1
366 1 27 ARG HB3 1 27 ARG HD3 . . 4.100 3.203 2.358 3.871 . 0 0 "[ . 1 . 2]" 1
367 1 27 ARG HB3 1 28 ILE H . . 6.860 4.153 3.610 4.575 . 0 0 "[ . 1 . 2]" 1
368 1 27 ARG HB3 1 40 GLU H . . 6.030 3.494 2.597 4.742 . 0 0 "[ . 1 . 2]" 1
369 1 27 ARG HG2 1 28 ILE H . . 7.000 3.721 2.267 5.314 . 0 0 "[ . 1 . 2]" 1
370 1 27 ARG HG3 1 28 ILE H . . 7.000 3.679 2.063 4.784 . 0 0 "[ . 1 . 2]" 1
371 1 28 ILE H 1 28 ILE HB . . 3.370 2.254 2.065 2.520 . 0 0 "[ . 1 . 2]" 1
372 1 28 ILE H 1 29 ARG H . . 6.860 4.528 4.456 4.561 . 0 0 "[ . 1 . 2]" 1
373 1 28 ILE H 1 39 ALA HA . . 6.540 4.658 4.409 4.798 . 0 0 "[ . 1 . 2]" 1
374 1 28 ILE H 1 39 ALA MB . . 7.150 3.911 3.135 4.463 . 0 0 "[ . 1 . 2]" 1
375 1 28 ILE HA 1 29 ARG H . . 2.810 2.193 2.179 2.213 . 0 0 "[ . 1 . 2]" 1
376 1 28 ILE HA 1 30 ASP H . . 4.330 4.008 3.632 4.422 0.092 6 0 "[ . 1 . 2]" 1
377 1 28 ILE HA 1 39 ALA HA . . 4.060 2.492 2.109 2.758 . 0 0 "[ . 1 . 2]" 1
378 1 28 ILE HA 1 39 ALA MB . . 7.200 2.480 1.950 3.213 . 0 0 "[ . 1 . 2]" 1
379 1 28 ILE HA 1 40 GLU H . . 6.910 3.941 3.765 4.110 . 0 0 "[ . 1 . 2]" 1
380 1 28 ILE HB 1 29 ARG H . . 6.590 4.416 4.252 4.578 . 0 0 "[ . 1 . 2]" 1
381 1 28 ILE HB 1 29 ARG HA . . 7.000 5.198 4.852 5.698 . 0 0 "[ . 1 . 2]" 1
382 1 28 ILE MD 1 29 ARG H . . 6.330 3.937 2.244 5.261 . 0 0 "[ . 1 . 2]" 1
383 1 28 ILE MD 1 37 TRP HB2 . . 8.030 3.009 1.839 4.670 . 0 0 "[ . 1 . 2]" 1
384 1 28 ILE MD 1 37 TRP HB3 . . 6.740 3.561 1.870 5.315 . 0 0 "[ . 1 . 2]" 1
385 1 28 ILE MD 1 39 ALA HA . . 8.030 4.244 3.140 5.921 . 0 0 "[ . 1 . 2]" 1
386 1 28 ILE MD 1 39 ALA MB . . 8.600 2.969 1.833 4.690 . 0 0 "[ . 1 . 2]" 1
387 1 28 ILE MG 1 31 LYS HA . . 7.520 4.943 4.071 6.250 . 0 0 "[ . 1 . 2]" 1
388 1 28 ILE MG 1 31 LYS HG2 . . 7.800 3.919 2.324 6.544 . 0 0 "[ . 1 . 2]" 1
389 1 28 ILE MG 1 37 TRP HA . . 8.030 5.828 5.058 6.592 . 0 0 "[ . 1 . 2]" 1
390 1 28 ILE MG 1 37 TRP HB2 . . 8.030 4.113 3.129 5.114 . 0 0 "[ . 1 . 2]" 1
391 1 28 ILE MG 1 37 TRP HB3 . . 8.030 3.794 3.045 4.605 . 0 0 "[ . 1 . 2]" 1
392 1 29 ARG H 1 29 ARG HB2 . . 3.730 2.962 2.331 3.767 0.037 13 0 "[ . 1 . 2]" 1
393 1 29 ARG H 1 30 ASP H . . 2.860 2.044 1.784 2.467 . 0 0 "[ . 1 . 2]" 1
394 1 29 ARG H 1 37 TRP HB2 . . 7.000 5.242 4.806 5.765 . 0 0 "[ . 1 . 2]" 1
395 1 29 ARG H 1 38 ASN HB2 . . 7.000 4.942 4.070 5.771 . 0 0 "[ . 1 . 2]" 1
396 1 29 ARG H 1 39 ALA HA . . 3.000 2.575 2.238 2.799 . 0 0 "[ . 1 . 2]" 1
397 1 29 ARG H 1 39 ALA MB . . 7.610 3.696 3.361 4.137 . 0 0 "[ . 1 . 2]" 1
398 1 29 ARG H 1 40 GLU H . . 6.860 4.274 3.809 4.672 . 0 0 "[ . 1 . 2]" 1
399 1 29 ARG HA 1 30 ASP H . . 4.010 3.617 3.550 3.650 . 0 0 "[ . 1 . 2]" 1
400 1 29 ARG HA 1 30 ASP HB3 . . 7.000 6.325 6.101 6.561 . 0 0 "[ . 1 . 2]" 1
401 1 29 ARG HB2 1 30 ASP H . . 4.290 3.568 2.816 4.103 . 0 0 "[ . 1 . 2]" 1
402 1 29 ARG HB2 1 30 ASP HB3 . . 7.000 6.200 5.054 6.768 . 0 0 "[ . 1 . 2]" 1
403 1 29 ARG HB2 1 38 ASN HB2 . . 7.000 5.748 3.882 6.802 . 0 0 "[ . 1 . 2]" 1
404 1 29 ARG HB3 1 30 ASP H . . 4.790 2.859 2.054 4.115 . 0 0 "[ . 1 . 2]" 1
405 1 29 ARG HB3 1 30 ASP HA . . 6.770 4.745 4.225 5.830 . 0 0 "[ . 1 . 2]" 1
406 1 29 ARG HB3 1 30 ASP HB2 . . 7.000 4.022 3.050 6.421 . 0 0 "[ . 1 . 2]" 1
407 1 29 ARG HB3 1 30 ASP HB3 . . 7.000 5.326 4.283 6.915 . 0 0 "[ . 1 . 2]" 1
408 1 29 ARG HB3 1 38 ASN HB2 . . 7.000 4.891 3.041 7.053 0.053 5 0 "[ . 1 . 2]" 1
409 1 29 ARG HB3 1 38 ASN HB3 . . 7.000 3.780 2.450 6.048 . 0 0 "[ . 1 . 2]" 1
410 1 30 ASP H 1 31 LYS H . . 6.770 4.345 4.228 4.451 . 0 0 "[ . 1 . 2]" 1
411 1 30 ASP H 1 38 ASN H . . 3.780 3.305 2.958 3.556 . 0 0 "[ . 1 . 2]" 1
412 1 30 ASP H 1 38 ASN HB2 . . 6.720 3.422 2.510 4.496 . 0 0 "[ . 1 . 2]" 1
413 1 30 ASP H 1 38 ASN HB3 . . 7.000 3.080 2.400 3.985 . 0 0 "[ . 1 . 2]" 1
414 1 30 ASP H 1 39 ALA HA . . 4.980 3.996 3.873 4.166 . 0 0 "[ . 1 . 2]" 1
415 1 30 ASP HA 1 31 LYS H . . 3.780 2.368 2.253 2.791 . 0 0 "[ . 1 . 2]" 1
416 1 30 ASP HA 1 38 ASN HB2 . . 7.000 4.912 4.092 6.045 . 0 0 "[ . 1 . 2]" 1
417 1 30 ASP HB2 1 31 LYS HA . . 6.630 5.019 4.214 5.616 . 0 0 "[ . 1 . 2]" 1
418 1 30 ASP HB3 1 38 ASN H . . 6.170 3.731 2.737 4.808 . 0 0 "[ . 1 . 2]" 1
419 1 31 LYS HA 1 37 TRP HA . . 4.290 2.842 2.226 4.498 0.208 6 0 "[ . 1 . 2]" 1
420 1 31 LYS HA 1 37 TRP HB3 . . 7.000 2.499 1.975 4.719 . 0 0 "[ . 1 . 2]" 1
421 1 31 LYS HA 1 37 TRP HE1 . . 7.000 4.653 3.954 6.924 . 0 0 "[ . 1 . 2]" 1
422 1 31 LYS HA 1 38 ASN H . . 5.620 3.285 2.638 4.279 . 0 0 "[ . 1 . 2]" 1
423 1 32 PRO HA 1 33 GLU H . . 3.870 3.373 2.804 3.541 . 0 0 "[ . 1 . 2]" 1
424 1 32 PRO QB 1 33 GLU H . . 5.210 3.112 2.261 4.069 . 0 0 "[ . 1 . 2]" 1
425 1 32 PRO QD 1 33 GLU H . . 7.880 2.684 2.257 3.602 . 0 0 "[ . 1 . 2]" 1
426 1 32 PRO QG 1 38 ASN H . . 7.880 4.531 3.876 7.283 . 0 0 "[ . 1 . 2]" 1
427 1 33 GLU H 1 33 GLU HB2 . . 4.010 2.962 2.400 3.922 . 0 0 "[ . 1 . 2]" 1
428 1 33 GLU H 1 36 TRP H . . 6.720 5.521 4.708 6.760 0.040 6 0 "[ . 1 . 2]" 1
429 1 33 GLU H 1 37 TRP HA . . 6.950 4.205 3.523 5.883 . 0 0 "[ . 1 . 2]" 1
430 1 33 GLU H 1 37 TRP HD1 . . 6.910 3.306 2.480 4.457 . 0 0 "[ . 1 . 2]" 1
431 1 33 GLU H 1 37 TRP HE1 . . 7.000 4.583 3.461 5.990 . 0 0 "[ . 1 . 2]" 1
432 1 33 GLU H 1 48 MET ME . . 8.030 4.918 2.837 6.584 . 0 0 "[ . 1 . 2]" 1
433 1 33 GLU HA 1 34 GLU H . . 3.090 2.736 2.634 3.114 0.024 6 0 "[ . 1 . 2]" 1
434 1 33 GLU HA 1 34 GLU HG2 . . 7.000 5.242 3.914 6.801 . 0 0 "[ . 1 . 2]" 1
435 1 33 GLU HB2 1 34 GLU H . . 4.610 2.864 2.008 3.433 . 0 0 "[ . 1 . 2]" 1
436 1 33 GLU HB2 1 34 GLU HA . . 4.650 4.596 4.114 4.745 0.095 10 0 "[ . 1 . 2]" 1
437 1 33 GLU HB2 1 35 GLN H . . 5.530 4.152 2.760 5.734 0.204 20 0 "[ . 1 . 2]" 1
438 1 33 GLU HB2 1 36 TRP H . . 4.100 3.422 2.439 4.265 0.165 9 0 "[ . 1 . 2]" 1
439 1 33 GLU HB2 1 36 TRP HB3 . . 7.000 5.459 4.616 7.070 0.070 14 0 "[ . 1 . 2]" 1
440 1 33 GLU HB2 1 36 TRP HD1 . . 6.910 5.293 4.476 6.432 . 0 0 "[ . 1 . 2]" 1
441 1 33 GLU HB3 1 34 GLU H . . 7.000 2.497 1.905 3.712 . 0 0 "[ . 1 . 2]" 1
442 1 33 GLU HB3 1 36 TRP HB2 . . 7.000 4.614 3.952 5.552 . 0 0 "[ . 1 . 2]" 1
443 1 33 GLU HB3 1 36 TRP HD1 . . 7.000 5.433 4.173 7.006 0.006 12 0 "[ . 1 . 2]" 1
444 1 33 GLU HB3 1 37 TRP HA . . 5.710 5.715 5.296 5.969 0.259 12 0 "[ . 1 . 2]" 1
445 1 33 GLU QG 1 34 GLU H . . 7.880 3.709 2.621 4.233 . 0 0 "[ . 1 . 2]" 1
446 1 34 GLU H 1 35 GLN H . . 6.360 3.447 2.269 4.507 . 0 0 "[ . 1 . 2]" 1
447 1 34 GLU H 1 36 TRP H . . 7.000 4.008 3.387 4.617 . 0 0 "[ . 1 . 2]" 1
448 1 34 GLU HA 1 35 GLN H . . 2.860 2.578 2.251 2.994 0.134 11 0 "[ . 1 . 2]" 1
449 1 34 GLU HA 1 37 TRP HD1 . . 7.000 4.298 3.650 4.764 . 0 0 "[ . 1 . 2]" 1
450 1 34 GLU HA 1 37 TRP HE1 . . 2.860 2.305 1.901 2.884 0.024 11 0 "[ . 1 . 2]" 1
451 1 34 GLU HA 1 37 TRP HZ2 . . 5.800 3.898 2.743 5.154 . 0 0 "[ . 1 . 2]" 1
452 1 34 GLU HG2 1 35 GLN H . . 6.260 4.509 2.575 5.889 . 0 0 "[ . 1 . 2]" 1
453 1 35 GLN H 1 35 GLN HB2 . . 3.920 3.392 2.767 3.893 . 0 0 "[ . 1 . 2]" 1
454 1 35 GLN H 1 35 GLN HG2 . . 5.480 4.079 2.095 5.211 . 0 0 "[ . 1 . 2]" 1
455 1 35 GLN H 1 36 TRP H . . 3.460 2.757 1.863 3.543 0.083 13 0 "[ . 1 . 2]" 1
456 1 35 GLN HA 1 36 TRP H . . 4.290 3.636 3.607 3.646 . 0 0 "[ . 1 . 2]" 1
457 1 35 GLN HA 1 51 VAL H . . 4.470 3.899 3.380 4.453 . 0 0 "[ . 1 . 2]" 1
458 1 35 GLN HA 1 51 VAL HB . . 3.870 3.583 2.573 4.202 0.332 8 0 "[ . 1 . 2]" 1
459 1 35 GLN HA 1 51 VAL MG1 . . 5.960 4.300 2.314 4.937 . 0 0 "[ . 1 . 2]" 1
460 1 35 GLN HA 1 51 VAL MG2 . . 8.030 3.165 1.726 3.775 . 0 0 "[ . 1 . 2]" 1
461 1 35 GLN HB2 1 36 TRP HD1 . . 4.980 2.572 1.902 3.725 . 0 0 "[ . 1 . 2]" 1
462 1 35 GLN HB2 1 51 VAL H . . 7.000 5.620 4.709 6.392 . 0 0 "[ . 1 . 2]" 1
463 1 35 GLN HB2 1 51 VAL MG2 . . 8.030 5.117 3.779 5.729 . 0 0 "[ . 1 . 2]" 1
464 1 35 GLN HB3 1 36 TRP HD1 . . 6.680 2.450 1.941 3.741 . 0 0 "[ . 1 . 2]" 1
465 1 35 GLN HB3 1 51 VAL H . . 7.000 4.797 3.641 5.877 . 0 0 "[ . 1 . 2]" 1
466 1 36 TRP H 1 36 TRP HB2 . . 4.060 2.549 2.365 2.690 . 0 0 "[ . 1 . 2]" 1
467 1 36 TRP H 1 37 TRP H . . 7.000 4.424 4.351 4.498 . 0 0 "[ . 1 . 2]" 1
468 1 36 TRP H 1 37 TRP HD1 . . 7.000 3.984 3.524 4.488 . 0 0 "[ . 1 . 2]" 1
469 1 36 TRP H 1 51 VAL H . . 6.720 5.251 4.946 5.620 . 0 0 "[ . 1 . 2]" 1
470 1 36 TRP HA 1 36 TRP HE3 . . 4.790 3.782 3.262 4.395 . 0 0 "[ . 1 . 2]" 1
471 1 36 TRP HA 1 37 TRP H . . 2.810 2.229 2.205 2.288 . 0 0 "[ . 1 . 2]" 1
472 1 36 TRP HA 1 48 MET HB2 . . 7.000 6.241 5.880 6.563 . 0 0 "[ . 1 . 2]" 1
473 1 36 TRP HA 1 48 MET ME . . 8.030 5.281 4.434 6.516 . 0 0 "[ . 1 . 2]" 1
474 1 36 TRP HA 1 49 ILE H . . 7.000 3.779 3.656 3.886 . 0 0 "[ . 1 . 2]" 1
475 1 36 TRP HA 1 50 PRO HA . . 3.920 2.812 2.587 3.079 . 0 0 "[ . 1 . 2]" 1
476 1 36 TRP HA 1 51 VAL H . . 3.500 3.585 3.411 3.689 0.189 8 0 "[ . 1 . 2]" 1
477 1 36 TRP HA 1 51 VAL MG2 . . 8.030 3.370 2.891 4.502 . 0 0 "[ . 1 . 2]" 1
478 1 36 TRP HB2 1 37 TRP H . . 7.000 4.231 4.060 4.467 . 0 0 "[ . 1 . 2]" 1
479 1 36 TRP HB2 1 37 TRP HA . . 7.000 4.813 4.626 5.084 . 0 0 "[ . 1 . 2]" 1
480 1 36 TRP HB2 1 48 MET HA . . 7.000 5.325 4.771 5.799 . 0 0 "[ . 1 . 2]" 1
481 1 36 TRP HB2 1 48 MET HB2 . . 7.000 5.045 4.417 5.744 . 0 0 "[ . 1 . 2]" 1
482 1 36 TRP HB3 1 37 TRP H . . 5.300 3.348 3.032 3.589 . 0 0 "[ . 1 . 2]" 1
483 1 36 TRP HB3 1 48 MET HB2 . . 6.770 4.071 3.646 4.383 . 0 0 "[ . 1 . 2]" 1
484 1 36 TRP HE3 1 37 TRP H . . 7.000 4.645 4.123 5.308 . 0 0 "[ . 1 . 2]" 1
485 1 36 TRP HE3 1 48 MET HA . . 7.000 4.506 3.669 5.309 . 0 0 "[ . 1 . 2]" 1
486 1 36 TRP HE3 1 48 MET HB2 . . 4.290 4.020 3.086 4.457 0.167 19 0 "[ . 1 . 2]" 1
487 1 36 TRP HE3 1 48 MET ME . . 7.110 4.925 2.594 5.833 . 0 0 "[ . 1 . 2]" 1
488 1 36 TRP HE3 1 49 ILE H . . 6.360 3.713 3.071 4.425 . 0 0 "[ . 1 . 2]" 1
489 1 36 TRP HE3 1 49 ILE HA . . 5.570 3.094 2.319 4.054 . 0 0 "[ . 1 . 2]" 1
490 1 36 TRP HE3 1 50 PRO HA . . 7.000 4.111 3.563 5.033 . 0 0 "[ . 1 . 2]" 1
491 1 36 TRP HE3 1 50 PRO HD3 . . 7.000 3.483 3.038 4.439 . 0 0 "[ . 1 . 2]" 1
492 1 36 TRP HH2 1 50 PRO HA . . 7.000 5.677 5.154 6.428 . 0 0 "[ . 1 . 2]" 1
493 1 36 TRP HH2 1 50 PRO HB2 . . 7.000 5.526 4.868 6.595 . 0 0 "[ . 1 . 2]" 1
494 1 36 TRP HH2 1 50 PRO HB3 . . 5.020 4.096 3.369 5.015 . 0 0 "[ . 1 . 2]" 1
495 1 36 TRP HH2 1 50 PRO HG2 . . 7.000 5.185 4.235 6.249 . 0 0 "[ . 1 . 2]" 1
496 1 36 TRP HZ2 1 50 PRO HA . . 7.000 5.406 4.527 6.134 . 0 0 "[ . 1 . 2]" 1
497 1 36 TRP HZ2 1 50 PRO HB2 . . 7.000 5.391 4.051 6.189 . 0 0 "[ . 1 . 2]" 1
498 1 36 TRP HZ2 1 50 PRO HB3 . . 7.000 3.825 2.575 4.606 . 0 0 "[ . 1 . 2]" 1
499 1 36 TRP HZ2 1 50 PRO HG2 . . 7.000 6.029 4.297 7.034 0.034 18 0 "[ . 1 . 2]" 1
500 1 36 TRP HZ3 1 48 MET HB2 . . 7.000 5.511 4.451 6.031 . 0 0 "[ . 1 . 2]" 1
501 1 36 TRP HZ3 1 48 MET HB3 . . 7.000 4.479 3.227 5.664 . 0 0 "[ . 1 . 2]" 1
502 1 36 TRP HZ3 1 49 ILE HA . . 6.220 3.522 2.170 4.642 . 0 0 "[ . 1 . 2]" 1
503 1 36 TRP HZ3 1 50 PRO HA . . 7.000 5.076 4.279 6.201 . 0 0 "[ . 1 . 2]" 1
504 1 36 TRP HZ3 1 50 PRO HB2 . . 7.000 5.737 4.838 7.018 0.018 1 0 "[ . 1 . 2]" 1
505 1 36 TRP HZ3 1 50 PRO HD2 . . 7.000 4.548 3.711 6.032 . 0 0 "[ . 1 . 2]" 1
506 1 36 TRP HZ3 1 50 PRO HG2 . . 7.000 5.066 4.180 6.498 . 0 0 "[ . 1 . 2]" 1
507 1 37 TRP H 1 37 TRP HB2 . . 3.920 2.683 2.500 2.810 . 0 0 "[ . 1 . 2]" 1
508 1 37 TRP H 1 48 MET HA . . 3.830 3.999 3.909 4.102 0.272 12 0 "[ . 1 . 2]" 1
509 1 37 TRP H 1 48 MET HB2 . . 7.000 5.961 5.777 6.134 . 0 0 "[ . 1 . 2]" 1
510 1 37 TRP H 1 49 ILE H . . 3.410 2.533 2.297 2.739 . 0 0 "[ . 1 . 2]" 1
511 1 37 TRP H 1 50 PRO HA . . 4.840 4.199 3.948 4.334 . 0 0 "[ . 1 . 2]" 1
512 1 37 TRP H 1 51 VAL H . . 6.130 4.726 4.480 5.047 . 0 0 "[ . 1 . 2]" 1
513 1 37 TRP H 1 51 VAL MG2 . . 8.030 3.558 3.033 5.438 . 0 0 "[ . 1 . 2]" 1
514 1 37 TRP HA 1 38 ASN H . . 3.090 2.439 2.349 2.528 . 0 0 "[ . 1 . 2]" 1
515 1 37 TRP HA 1 38 ASN HA . . 4.470 4.291 4.286 4.301 . 0 0 "[ . 1 . 2]" 1
516 1 37 TRP HA 1 38 ASN HB2 . . 6.220 4.393 4.199 4.883 . 0 0 "[ . 1 . 2]" 1
517 1 37 TRP HA 1 38 ASN HB3 . . 7.000 5.455 4.730 5.804 . 0 0 "[ . 1 . 2]" 1
518 1 37 TRP HA 1 48 MET ME . . 8.030 4.353 1.966 5.682 . 0 0 "[ . 1 . 2]" 1
519 1 37 TRP HA 1 49 ILE H . . 4.320 4.431 4.361 4.482 0.162 2 0 "[ . 1 . 2]" 1
520 1 37 TRP HB2 1 38 ASN H . . 4.750 3.668 3.389 3.985 . 0 0 "[ . 1 . 2]" 1
521 1 37 TRP HB2 1 39 ALA MB . . 7.710 3.979 3.692 4.225 . 0 0 "[ . 1 . 2]" 1
522 1 37 TRP HB2 1 51 VAL MG2 . . 8.030 3.708 2.940 6.140 . 0 0 "[ . 1 . 2]" 1
523 1 37 TRP HB3 1 38 ASN H . . 3.960 2.629 2.455 2.839 . 0 0 "[ . 1 . 2]" 1
524 1 37 TRP HD1 1 38 ASN H . . 7.000 4.517 4.163 4.768 . 0 0 "[ . 1 . 2]" 1
525 1 37 TRP HE1 1 51 VAL MG1 . . 7.200 5.066 3.171 5.869 . 0 0 "[ . 1 . 2]" 1
526 1 37 TRP HE1 1 51 VAL MG2 . . 8.030 3.797 3.121 5.141 . 0 0 "[ . 1 . 2]" 1
527 1 37 TRP HE3 1 39 ALA MB . . 8.030 4.798 4.415 5.102 . 0 0 "[ . 1 . 2]" 1
528 1 37 TRP HE3 1 51 VAL HA . . 7.000 4.823 3.931 5.195 . 0 0 "[ . 1 . 2]" 1
529 1 37 TRP HZ2 1 51 VAL MG1 . . 8.030 3.585 2.992 4.223 . 0 0 "[ . 1 . 2]" 1
530 1 37 TRP HZ2 1 51 VAL MG2 . . 8.030 3.237 2.736 4.213 . 0 0 "[ . 1 . 2]" 1
531 1 37 TRP HZ3 1 54 VAL MG2 . . 8.030 4.788 4.071 5.233 . 0 0 "[ . 1 . 2]" 1
532 1 38 ASN H 1 38 ASN HB2 . . 3.730 2.255 2.092 2.689 . 0 0 "[ . 1 . 2]" 1
533 1 38 ASN H 1 48 MET HA . . 4.110 4.229 4.032 4.385 0.275 4 0 "[ . 1 . 2]" 1
534 1 38 ASN HA 1 39 ALA H . . 2.540 2.281 2.251 2.341 . 0 0 "[ . 1 . 2]" 1
535 1 38 ASN HA 1 39 ALA MB . . 8.030 4.066 3.978 4.172 . 0 0 "[ . 1 . 2]" 1
536 1 38 ASN HA 1 47 GLY H . . 5.940 4.073 3.911 4.309 . 0 0 "[ . 1 . 2]" 1
537 1 38 ASN HA 1 48 MET HA . . 3.690 2.232 2.064 2.392 . 0 0 "[ . 1 . 2]" 1
538 1 38 ASN HA 1 48 MET HB2 . . 7.000 4.762 4.344 4.976 . 0 0 "[ . 1 . 2]" 1
539 1 38 ASN HA 1 49 ILE H . . 4.150 3.680 3.556 3.771 . 0 0 "[ . 1 . 2]" 1
540 1 38 ASN HB2 1 39 ALA H . . 7.000 4.627 4.463 4.733 . 0 0 "[ . 1 . 2]" 1
541 1 38 ASN HB3 1 39 ALA H . . 5.210 4.068 3.594 4.514 . 0 0 "[ . 1 . 2]" 1
542 1 38 ASN HB3 1 48 MET HA . . 7.000 5.019 4.634 5.279 . 0 0 "[ . 1 . 2]" 1
543 1 39 ALA H 1 40 GLU H . . 6.950 4.517 4.441 4.600 . 0 0 "[ . 1 . 2]" 1
544 1 39 ALA H 1 47 GLY H . . 3.550 3.207 2.954 3.558 0.008 7 0 "[ . 1 . 2]" 1
545 1 39 ALA H 1 48 MET HA . . 3.920 3.291 3.130 3.439 . 0 0 "[ . 1 . 2]" 1
546 1 39 ALA H 1 49 ILE H . . 6.910 3.655 3.256 3.993 . 0 0 "[ . 1 . 2]" 1
547 1 39 ALA HA 1 40 GLU H . . 2.950 2.361 2.316 2.462 . 0 0 "[ . 1 . 2]" 1
548 1 39 ALA HA 1 40 GLU HB2 . . 7.000 4.334 4.221 4.479 . 0 0 "[ . 1 . 2]" 1
549 1 39 ALA HA 1 47 GLY H . . 7.000 4.883 4.813 5.006 . 0 0 "[ . 1 . 2]" 1
550 1 39 ALA MB 1 40 GLU H . . 5.080 2.744 2.549 2.888 . 0 0 "[ . 1 . 2]" 1
551 1 39 ALA MB 1 40 GLU HA . . 8.030 4.163 4.038 4.251 . 0 0 "[ . 1 . 2]" 1
552 1 39 ALA MB 1 47 GLY H . . 8.030 4.239 4.027 4.408 . 0 0 "[ . 1 . 2]" 1
553 1 39 ALA MB 1 49 ILE H . . 6.280 3.899 3.530 4.244 . 0 0 "[ . 1 . 2]" 1
554 1 40 GLU H 1 40 GLU HB3 . . 3.870 2.552 2.431 2.669 . 0 0 "[ . 1 . 2]" 1
555 1 40 GLU H 1 41 ASP H . . 6.770 4.305 4.236 4.376 . 0 0 "[ . 1 . 2]" 1
556 1 40 GLU H 1 41 ASP HA . . 6.450 4.970 4.860 5.062 . 0 0 "[ . 1 . 2]" 1
557 1 40 GLU H 1 46 ARG HA . . 7.000 4.497 4.353 4.651 . 0 0 "[ . 1 . 2]" 1
558 1 40 GLU HA 1 41 ASP H . . 3.000 2.208 2.201 2.226 . 0 0 "[ . 1 . 2]" 1
559 1 40 GLU HA 1 41 ASP HA . . 6.910 4.367 4.344 4.398 . 0 0 "[ . 1 . 2]" 1
560 1 40 GLU HA 1 46 ARG HA . . 3.370 2.035 1.949 2.152 . 0 0 "[ . 1 . 2]" 1
561 1 40 GLU HA 1 46 ARG HB2 . . 7.000 4.656 4.458 4.906 . 0 0 "[ . 1 . 2]" 1
562 1 40 GLU HA 1 46 ARG HG2 . . 7.000 2.932 2.144 3.680 . 0 0 "[ . 1 . 2]" 1
563 1 40 GLU HA 1 47 GLY H . . 5.440 3.522 3.404 3.651 . 0 0 "[ . 1 . 2]" 1
564 1 40 GLU HB2 1 41 ASP H . . 4.790 4.508 4.413 4.565 . 0 0 "[ . 1 . 2]" 1
565 1 40 GLU HB2 1 44 GLY HA3 . . 6.910 6.782 6.304 6.957 0.047 19 0 "[ . 1 . 2]" 1
566 1 40 GLU HB3 1 41 ASP H . . 6.860 4.411 4.295 4.530 . 0 0 "[ . 1 . 2]" 1
567 1 40 GLU HB3 1 46 ARG HA . . 7.000 4.826 4.629 5.039 . 0 0 "[ . 1 . 2]" 1
568 1 40 GLU HG2 1 41 ASP H . . 6.170 3.095 2.849 3.444 . 0 0 "[ . 1 . 2]" 1
569 1 40 GLU HG2 1 44 GLY H . . 5.570 3.176 2.828 3.566 . 0 0 "[ . 1 . 2]" 1
570 1 40 GLU HG2 1 44 GLY HA2 . . 7.000 2.791 2.430 3.002 . 0 0 "[ . 1 . 2]" 1
571 1 40 GLU HG2 1 44 GLY HA3 . . 5.900 4.321 4.045 4.510 . 0 0 "[ . 1 . 2]" 1
572 1 40 GLU HG2 1 45 LYS H . . 4.150 3.771 3.357 4.130 . 0 0 "[ . 1 . 2]" 1
573 1 40 GLU HG2 1 45 LYS HA . . 5.900 4.792 4.152 5.456 . 0 0 "[ . 1 . 2]" 1
574 1 40 GLU HG2 1 46 ARG HA . . 7.000 3.767 3.281 4.522 . 0 0 "[ . 1 . 2]" 1
575 1 40 GLU HG2 1 46 ARG HG2 . . 6.080 3.272 2.448 4.789 . 0 0 "[ . 1 . 2]" 1
576 1 40 GLU HG3 1 41 ASP H . . 7.000 4.360 3.562 4.725 . 0 0 "[ . 1 . 2]" 1
577 1 40 GLU HG3 1 44 GLY H . . 7.000 4.379 3.599 4.712 . 0 0 "[ . 1 . 2]" 1
578 1 40 GLU HG3 1 44 GLY HA2 . . 7.000 3.108 2.506 3.318 . 0 0 "[ . 1 . 2]" 1
579 1 41 ASP H 1 41 ASP HB2 . . 4.150 2.208 2.003 3.520 . 0 0 "[ . 1 . 2]" 1
580 1 41 ASP H 1 43 GLU H . . 4.330 4.167 4.055 4.274 . 0 0 "[ . 1 . 2]" 1
581 1 41 ASP H 1 44 GLY H . . 4.290 4.207 4.055 4.314 0.024 10 0 "[ . 1 . 2]" 1
582 1 41 ASP H 1 44 GLY HA3 . . 6.860 6.229 6.042 6.391 . 0 0 "[ . 1 . 2]" 1
583 1 41 ASP H 1 45 LYS H . . 3.730 3.780 3.736 3.823 0.093 14 0 "[ . 1 . 2]" 1
584 1 41 ASP H 1 45 LYS HA . . 6.860 4.890 4.740 5.070 . 0 0 "[ . 1 . 2]" 1
585 1 41 ASP H 1 46 ARG HA . . 4.150 3.222 2.971 3.524 . 0 0 "[ . 1 . 2]" 1
586 1 41 ASP HA 1 42 SER H . . 2.720 2.644 2.595 2.709 . 0 0 "[ . 1 . 2]" 1
587 1 41 ASP HA 1 43 GLU H . . 5.020 4.085 4.037 4.135 . 0 0 "[ . 1 . 2]" 1
588 1 41 ASP HA 1 44 GLY H . . 5.300 4.940 4.867 5.042 . 0 0 "[ . 1 . 2]" 1
589 1 41 ASP HB2 1 42 SER H . . 3.920 3.782 2.211 3.983 0.063 15 0 "[ . 1 . 2]" 1
590 1 41 ASP HB3 1 42 SER H . . 3.500 2.960 2.471 3.492 . 0 0 "[ . 1 . 2]" 1
591 1 41 ASP HB3 1 43 GLU H . . 7.000 2.461 2.194 4.272 . 0 0 "[ . 1 . 2]" 1
592 1 41 ASP HB3 1 44 GLY H . . 7.000 3.523 3.216 5.276 . 0 0 "[ . 1 . 2]" 1
593 1 42 SER H 1 43 GLU H . . 3.550 3.010 2.922 3.092 . 0 0 "[ . 1 . 2]" 1
594 1 42 SER H 1 44 GLY H . . 4.360 4.499 4.426 4.575 0.215 15 0 "[ . 1 . 2]" 1
595 1 42 SER HA 1 43 GLU H . . 2.810 2.983 2.950 3.014 0.204 8 0 "[ . 1 . 2]" 1
596 1 42 SER HA 1 44 GLY H . . 3.690 3.691 3.658 3.739 0.049 5 0 "[ . 1 . 2]" 1
597 1 43 GLU H 1 43 GLU HB2 . . 3.640 2.625 2.523 2.727 . 0 0 "[ . 1 . 2]" 1
598 1 43 GLU H 1 44 GLY HA2 . . 3.960 4.043 4.006 4.076 0.116 11 0 "[ . 1 . 2]" 1
599 1 43 GLU H 1 44 GLY HA3 . . 4.370 4.449 4.420 4.488 0.118 18 0 "[ . 1 . 2]" 1
600 1 43 GLU H 1 45 LYS H . . 2.910 2.917 2.845 2.994 0.084 18 0 "[ . 1 . 2]" 1
601 1 43 GLU HA 1 44 GLY H . . 3.460 3.351 3.294 3.408 . 0 0 "[ . 1 . 2]" 1
602 1 43 GLU HB2 1 44 GLY H . . 3.780 3.610 3.512 3.695 . 0 0 "[ . 1 . 2]" 1
603 1 43 GLU HB2 1 44 GLY HA2 . . 7.000 5.576 5.443 5.753 . 0 0 "[ . 1 . 2]" 1
604 1 43 GLU HB2 1 45 LYS H . . 4.330 3.025 2.839 3.296 . 0 0 "[ . 1 . 2]" 1
605 1 43 GLU HB2 1 45 LYS HG2 . . 5.670 4.185 2.184 5.714 0.044 19 0 "[ . 1 . 2]" 1
606 1 43 GLU HB2 1 45 LYS HG3 . . 6.130 4.170 2.641 6.124 . 0 0 "[ . 1 . 2]" 1
607 1 43 GLU HB3 1 44 GLY H . . 5.440 4.157 3.914 4.317 . 0 0 "[ . 1 . 2]" 1
608 1 43 GLU HB3 1 45 LYS H . . 6.130 3.591 3.122 3.888 . 0 0 "[ . 1 . 2]" 1
609 1 43 GLU HB3 1 45 LYS HG3 . . 7.000 4.595 2.806 6.952 . 0 0 "[ . 1 . 2]" 1
610 1 44 GLY H 1 45 LYS H . . 2.860 2.402 2.284 2.469 . 0 0 "[ . 1 . 2]" 1
611 1 44 GLY HA2 1 45 LYS H . . 4.010 3.389 3.354 3.416 . 0 0 "[ . 1 . 2]" 1
612 1 44 GLY HA3 1 45 LYS H . . 3.230 3.320 3.290 3.357 0.127 1 0 "[ . 1 . 2]" 1
613 1 45 LYS H 1 45 LYS HG3 . . 4.980 3.405 2.531 4.431 . 0 0 "[ . 1 . 2]" 1
614 1 45 LYS H 1 46 ARG H . . 4.420 4.417 4.334 4.501 0.081 5 0 "[ . 1 . 2]" 1
615 1 45 LYS HA 1 46 ARG H . . 2.450 2.185 2.177 2.207 . 0 0 "[ . 1 . 2]" 1
616 1 45 LYS HA 1 46 ARG HB3 . . 7.000 5.707 5.673 5.744 . 0 0 "[ . 1 . 2]" 1
617 1 45 LYS HA 1 46 ARG HG2 . . 7.000 5.360 4.664 5.926 . 0 0 "[ . 1 . 2]" 1
618 1 45 LYS HG3 1 46 ARG H . . 7.000 4.781 3.174 5.723 . 0 0 "[ . 1 . 2]" 1
619 1 46 ARG H 1 46 ARG HB2 . . 4.150 2.513 2.373 2.653 . 0 0 "[ . 1 . 2]" 1
620 1 46 ARG H 1 46 ARG HG3 . . 5.020 2.606 2.299 3.052 . 0 0 "[ . 1 . 2]" 1
621 1 46 ARG H 1 47 GLY H . . 4.700 4.402 4.330 4.448 . 0 0 "[ . 1 . 2]" 1
622 1 46 ARG HA 1 47 GLY H . . 2.720 2.227 2.225 2.232 . 0 0 "[ . 1 . 2]" 1
623 1 46 ARG HB2 1 47 GLY H . . 7.000 4.330 4.226 4.440 . 0 0 "[ . 1 . 2]" 1
624 1 46 ARG HB3 1 46 ARG HG3 . . 3.090 2.985 2.790 3.056 . 0 0 "[ . 1 . 2]" 1
625 1 46 ARG HB3 1 47 GLY H . . 3.410 3.559 3.466 3.659 0.249 4 0 "[ . 1 . 2]" 1
626 1 46 ARG HG2 1 47 GLY H . . 7.000 4.804 4.343 5.283 . 0 0 "[ . 1 . 2]" 1
627 1 46 ARG HG3 1 47 GLY H . . 7.000 4.948 4.520 5.415 . 0 0 "[ . 1 . 2]" 1
628 1 47 GLY H 1 48 MET H . . 5.620 4.353 4.252 4.398 . 0 0 "[ . 1 . 2]" 1
629 1 48 MET H 1 48 MET HB3 . . 3.830 3.257 2.825 3.546 . 0 0 "[ . 1 . 2]" 1
630 1 48 MET H 1 49 ILE H . . 6.030 4.585 4.558 4.612 . 0 0 "[ . 1 . 2]" 1
631 1 48 MET HA 1 49 ILE H . . 2.680 2.253 2.226 2.291 . 0 0 "[ . 1 . 2]" 1
632 1 48 MET HB2 1 49 ILE H . . 4.520 4.407 4.233 4.523 0.003 8 0 "[ . 1 . 2]" 1
633 1 48 MET HB2 1 49 ILE HA . . 7.000 5.242 4.704 5.646 . 0 0 "[ . 1 . 2]" 1
634 1 48 MET ME 1 49 ILE H . . 8.030 5.225 3.985 5.916 . 0 0 "[ . 1 . 2]" 1
635 1 49 ILE H 1 50 PRO HD2 . . 7.000 4.982 4.925 5.010 . 0 0 "[ . 1 . 2]" 1
636 1 49 ILE HA 1 50 PRO HB2 . . 6.770 5.544 5.485 5.632 . 0 0 "[ . 1 . 2]" 1
637 1 49 ILE HA 1 50 PRO HD2 . . 4.190 2.650 2.494 2.853 . 0 0 "[ . 1 . 2]" 1
638 1 49 ILE HA 1 50 PRO HG3 . . 7.000 4.236 4.186 4.328 . 0 0 "[ . 1 . 2]" 1
639 1 50 PRO HA 1 51 VAL H . . 2.720 2.197 2.170 2.228 . 0 0 "[ . 1 . 2]" 1
640 1 50 PRO HA 1 51 VAL HA . . 7.000 4.248 4.242 4.257 . 0 0 "[ . 1 . 2]" 1
641 1 50 PRO HA 1 51 VAL HB . . 6.680 4.657 4.420 5.611 . 0 0 "[ . 1 . 2]" 1
642 1 50 PRO HB2 1 51 VAL H . . 5.710 3.436 3.308 3.575 . 0 0 "[ . 1 . 2]" 1
643 1 50 PRO HB2 1 53 TYR HD1 . . 7.000 3.624 3.047 3.848 . 0 0 "[ . 1 . 2]" 1
644 1 50 PRO HB3 1 51 VAL H . . 7.000 3.821 3.736 3.915 . 0 0 "[ . 1 . 2]" 1
645 1 50 PRO HB3 1 53 TYR H . . 7.000 3.766 3.616 4.397 . 0 0 "[ . 1 . 2]" 1
646 1 50 PRO HB3 1 53 TYR HD1 . . 4.560 4.495 3.802 4.671 0.111 18 0 "[ . 1 . 2]" 1
647 1 50 PRO HD2 1 53 TYR HB2 . . 4.560 3.963 3.244 4.163 . 0 0 "[ . 1 . 2]" 1
648 1 50 PRO HD2 1 53 TYR HD2 . . 7.000 5.026 4.078 5.947 . 0 0 "[ . 1 . 2]" 1
649 1 50 PRO HD2 1 54 VAL MG1 . . 6.370 2.945 2.452 3.657 . 0 0 "[ . 1 . 2]" 1
650 1 50 PRO HG2 1 53 TYR HB2 . . 7.000 1.838 1.667 1.952 . 0 0 "[ . 1 . 2]" 1
651 1 50 PRO HG2 1 53 TYR HD2 . . 7.000 3.588 3.189 4.169 . 0 0 "[ . 1 . 2]" 1
652 1 50 PRO HG3 1 53 TYR HB2 . . 7.000 2.988 2.862 3.284 . 0 0 "[ . 1 . 2]" 1
653 1 50 PRO HG3 1 53 TYR HB3 . . 4.880 3.602 3.324 4.249 . 0 0 "[ . 1 . 2]" 1
654 1 50 PRO HG3 1 53 TYR HD1 . . 7.000 4.512 4.008 4.888 . 0 0 "[ . 1 . 2]" 1
655 1 50 PRO HG3 1 53 TYR HD2 . . 7.000 4.570 3.894 5.094 . 0 0 "[ . 1 . 2]" 1
656 1 51 VAL H 1 51 VAL HB . . 3.500 2.500 2.258 3.556 0.056 8 0 "[ . 1 . 2]" 1
657 1 51 VAL H 1 52 PRO QD . . 7.320 1.660 1.623 1.727 . 0 0 "[ . 1 . 2]" 1
658 1 51 VAL H 1 53 TYR H . . 6.680 3.974 3.790 4.213 . 0 0 "[ . 1 . 2]" 1
659 1 51 VAL HA 1 53 TYR H . . 4.610 4.352 3.509 4.821 0.211 13 0 "[ . 1 . 2]" 1
660 1 51 VAL HA 1 54 VAL H . . 5.570 3.799 3.266 4.585 . 0 0 "[ . 1 . 2]" 1
661 1 51 VAL HA 1 54 VAL MG1 . . 6.140 3.764 3.529 4.181 . 0 0 "[ . 1 . 2]" 1
662 1 51 VAL HA 1 54 VAL MG2 . . 8.030 1.897 1.791 2.087 . 0 0 "[ . 1 . 2]" 1
663 1 51 VAL HB 1 52 PRO HA . . 7.000 4.538 4.438 4.751 . 0 0 "[ . 1 . 2]" 1
664 1 52 PRO HA 1 52 PRO HB3 . . 3.000 2.303 2.302 2.303 . 0 0 "[ . 1 . 2]" 1
665 1 52 PRO HA 1 53 TYR H . . 4.290 3.475 3.284 3.532 . 0 0 "[ . 1 . 2]" 1
666 1 52 PRO HA 1 54 VAL H . . 5.110 3.818 3.390 4.683 . 0 0 "[ . 1 . 2]" 1
667 1 52 PRO HB2 1 53 TYR H . . 6.630 3.311 2.968 3.955 . 0 0 "[ . 1 . 2]" 1
668 1 52 PRO HB3 1 53 TYR HB3 . . 7.000 7.142 7.047 7.384 0.384 16 0 "[ . 1 . 2]" 1
669 1 52 PRO HB3 1 53 TYR HD1 . . 7.000 5.420 4.682 5.943 . 0 0 "[ . 1 . 2]" 1
670 1 52 PRO QD 1 53 TYR H . . 7.880 2.299 2.234 2.567 . 0 0 "[ . 1 . 2]" 1
671 1 53 TYR H 1 53 TYR HB2 . . 3.410 1.930 1.839 2.081 . 0 0 "[ . 1 . 2]" 1
672 1 53 TYR H 1 53 TYR HB3 . . 4.240 3.064 2.868 3.212 . 0 0 "[ . 1 . 2]" 1
673 1 53 TYR H 1 54 VAL H . . 3.270 2.719 2.185 3.269 . 0 0 "[ . 1 . 2]" 1
674 1 53 TYR H 1 54 VAL MG1 . . 8.030 3.767 3.369 4.082 . 0 0 "[ . 1 . 2]" 1
675 1 53 TYR H 1 54 VAL MG2 . . 8.030 3.585 2.996 4.128 . 0 0 "[ . 1 . 2]" 1
676 1 53 TYR HA 1 54 VAL H . . 4.610 3.303 2.808 3.620 . 0 0 "[ . 1 . 2]" 1
677 1 53 TYR HB2 1 54 VAL H . . 7.000 3.699 2.946 4.376 . 0 0 "[ . 1 . 2]" 1
678 1 53 TYR HB3 1 54 VAL MG1 . . 8.030 2.755 2.388 3.221 . 0 0 "[ . 1 . 2]" 1
679 1 53 TYR HB3 1 54 VAL MG2 . . 8.030 4.385 3.904 4.709 . 0 0 "[ . 1 . 2]" 1
680 1 54 VAL H 1 55 GLU HA . . 6.590 4.791 4.500 5.124 . 0 0 "[ . 1 . 2]" 1
681 1 54 VAL HA 1 55 GLU H . . 2.680 2.625 2.554 2.685 0.005 10 0 "[ . 1 . 2]" 1
682 1 54 VAL HB 1 55 GLU H . . 3.600 2.231 2.073 2.374 . 0 0 "[ . 1 . 2]" 1
683 1 54 VAL HB 1 55 GLU HG3 . . 7.000 5.841 4.273 6.610 . 0 0 "[ . 1 . 2]" 1
684 1 54 VAL MG1 1 55 GLU H . . 8.030 3.712 3.432 3.876 . 0 0 "[ . 1 . 2]" 1
685 1 54 VAL MG2 1 55 GLU H . . 8.030 3.096 2.826 3.384 . 0 0 "[ . 1 . 2]" 1
686 1 55 GLU H 1 55 GLU HG3 . . 4.520 3.869 2.232 4.579 0.059 1 0 "[ . 1 . 2]" 1
687 1 55 GLU H 1 56 LYS HA . . 7.000 4.745 4.577 4.875 . 0 0 "[ . 1 . 2]" 1
688 1 55 GLU HA 1 56 LYS H . . 2.810 2.476 2.255 2.618 . 0 0 "[ . 1 . 2]" 1
689 1 55 GLU HB2 1 56 LYS H . . 6.400 3.463 2.357 4.459 . 0 0 "[ . 1 . 2]" 1
690 1 55 GLU HB3 1 56 LYS H . . 4.610 3.565 2.880 4.059 . 0 0 "[ . 1 . 2]" 1
691 1 55 GLU HG2 1 56 LYS H . . 7.000 3.390 2.004 4.872 . 0 0 "[ . 1 . 2]" 1
692 1 55 GLU HG2 1 57 TYR HB3 . . 7.000 6.558 4.970 7.035 0.035 4 0 "[ . 1 . 2]" 1
693 1 55 GLU HG3 1 56 LYS H . . 7.000 3.035 1.939 4.246 . 0 0 "[ . 1 . 2]" 1
694 1 56 LYS H 1 56 LYS HB3 . . 3.640 2.979 2.670 3.508 . 0 0 "[ . 1 . 2]" 1
695 1 56 LYS H 1 57 TYR H . . 6.540 4.366 4.157 4.495 . 0 0 "[ . 1 . 2]" 1
696 1 56 LYS HA 1 57 TYR H . . 2.770 2.190 2.176 2.256 . 0 0 "[ . 1 . 2]" 1
697 1 56 LYS HA 1 57 TYR HB3 . . 7.000 4.633 4.071 5.503 . 0 0 "[ . 1 . 2]" 1
698 1 56 LYS HB3 1 57 TYR H . . 4.560 4.187 3.628 4.500 . 0 0 "[ . 1 . 2]" 1
699 1 57 TYR H 1 57 TYR HB3 . . 4.240 2.556 1.937 3.495 . 0 0 "[ . 1 . 2]" 1
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