NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610931 |
5mf9   |
34067 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5mf9
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 974
_Distance_constraint_stats_list.Viol_count 607
_Distance_constraint_stats_list.Viol_total 760.043
_Distance_constraint_stats_list.Viol_max 0.949
_Distance_constraint_stats_list.Viol_rms 0.0455
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.1252
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 MET 0.000 0.000 . 0 "[ . 1]"
1 5 THR 0.781 0.201 8 0 "[ . 1]"
1 6 LYS 1.493 0.366 7 0 "[ . 1]"
1 7 TYR 1.333 0.199 5 0 "[ . 1]"
1 8 ALA 2.721 0.366 7 0 "[ . 1]"
1 9 VAL 1.806 0.256 5 0 "[ . 1]"
1 10 PRO 0.806 0.251 9 0 "[ . 1]"
1 11 ASP 1.246 0.415 1 0 "[ . 1]"
1 12 THR 0.869 0.251 9 0 "[ . 1]"
1 13 SER 0.862 0.426 6 0 "[ . 1]"
1 14 THR 1.076 0.415 1 0 "[ . 1]"
1 15 TYR 4.893 0.658 8 3 "[ * +-1]"
1 16 GLN 1.752 0.932 2 2 "[ + . -]"
1 17 TYR 1.836 0.655 4 2 "[ +.- 1]"
1 18 ASP 0.154 0.055 3 0 "[ . 1]"
1 19 GLU 0.643 0.524 6 1 "[ .+ 1]"
1 20 SER 0.000 0.000 . 0 "[ . 1]"
1 21 SER 2.900 0.704 6 1 "[ .+ 1]"
1 22 GLY 0.000 0.000 . 0 "[ . 1]"
1 23 TYR 1.848 0.238 6 0 "[ . 1]"
1 24 TYR 1.301 0.655 4 1 "[ +. 1]"
1 25 TYR 5.195 0.932 2 1 "[ + . 1]"
1 26 ASP 0.046 0.046 5 0 "[ . 1]"
1 27 PRO 2.736 0.658 8 3 "[ * +-1]"
1 28 THR 0.811 0.173 4 0 "[ . 1]"
1 29 THR 0.701 0.101 3 0 "[ . 1]"
1 30 GLY 0.233 0.066 1 0 "[ . 1]"
1 31 LEU 0.402 0.067 8 0 "[ . 1]"
1 32 TYR 2.817 0.394 7 0 "[ . 1]"
1 33 TYR 0.912 0.120 3 0 "[ . 1]"
1 34 ASP 0.000 0.000 . 0 "[ . 1]"
1 35 PRO 1.336 0.120 3 0 "[ . 1]"
1 36 ASN 0.073 0.040 3 0 "[ . 1]"
1 37 SER 0.470 0.128 5 0 "[ . 1]"
1 38 GLN 0.098 0.048 7 0 "[ . 1]"
1 39 TYR 6.085 0.342 9 0 "[ . 1]"
1 40 TYR 1.089 0.268 2 0 "[ . 1]"
1 41 TYR 7.149 0.763 9 2 "[ . -+1]"
1 42 ASN 0.170 0.057 2 0 "[ . 1]"
1 43 SER 1.747 0.202 2 0 "[ . 1]"
1 44 LEU 2.866 0.497 2 0 "[ . 1]"
1 45 THR 0.170 0.057 2 0 "[ . 1]"
1 46 GLN 2.963 0.763 9 2 "[ . -+1]"
1 47 GLN 1.195 0.261 1 0 "[ . 1]"
1 48 TYR 11.112 0.364 8 0 "[ . 1]"
1 49 LEU 7.452 0.630 3 4 "[*-+ . *]"
1 50 TYR 1.329 0.268 2 0 "[ . 1]"
1 51 TRP 8.479 0.949 8 2 "[ - . + 1]"
1 52 ASP 0.152 0.084 10 0 "[ . 1]"
1 53 GLY 0.000 0.000 . 0 "[ . 1]"
1 54 GLU 0.689 0.325 1 0 "[ . 1]"
1 55 LYS 1.311 0.305 2 0 "[ . 1]"
1 56 GLU 2.299 0.949 8 2 "[ - . + 1]"
1 57 THR 0.386 0.122 2 0 "[ . 1]"
1 58 TYR 2.536 0.259 10 0 "[ . 1]"
1 59 VAL 1.463 0.238 10 0 "[ . 1]"
1 60 PRO 4.662 0.630 3 4 "[*-+ . *]"
1 61 ALA 0.362 0.117 3 0 "[ . 1]"
1 62 ALA 0.000 0.000 . 0 "[ . 1]"
1 63 GLU 0.000 0.000 . 0 "[ . 1]"
1 64 SER 0.000 0.000 . 0 "[ . 1]"
2 2 MET 2.179 0.289 7 0 "[ . 1]"
2 3 ARG 5.203 0.272 2 0 "[ . 1]"
2 4 PRO 3.835 0.267 5 0 "[ . 1]"
2 5 PRO 4.571 0.394 7 0 "[ . 1]"
2 6 PRO 4.313 0.364 8 0 "[ . 1]"
2 7 PRO 2.268 0.221 10 0 "[ . 1]"
2 8 GLY 1.898 0.213 10 0 "[ . 1]"
2 9 ILE 2.159 0.704 6 1 "[ .+ 1]"
2 10 ARG 0.122 0.040 3 0 "[ . 1]"
2 11 GLY 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 2 ALA MB 2.100 . 6.000 2.129 2.125 2.133 . 0 0 "[ . 1]" 1
2 1 3 MET HA 1 3 MET HB3 2.700 . 3.600 2.721 2.448 3.026 . 0 0 "[ . 1]" 1
3 1 5 THR H 1 5 THR HA 2.800 . 3.800 2.742 2.256 2.940 . 0 0 "[ . 1]" 1
4 1 5 THR HA 1 5 THR HB 2.200 . 2.800 2.690 2.384 3.001 0.201 8 0 "[ . 1]" 1
5 1 6 LYS H 1 6 LYS HB3 3.000 . 4.100 3.294 2.371 4.066 . 0 0 "[ . 1]" 1
6 1 6 LYS HA 1 6 LYS HB3 2.800 . 3.800 2.594 2.418 3.027 . 0 0 "[ . 1]" 1
7 1 6 LYS HA 1 6 LYS HD3 3.600 . 5.200 4.323 1.997 5.539 0.339 6 0 "[ . 1]" 1
8 1 6 LYS HA 1 6 LYS HG2 3.600 . 5.200 3.157 2.391 3.831 . 0 0 "[ . 1]" 1
9 1 6 LYS HA 1 7 TYR H 2.500 . 3.300 2.723 2.259 3.499 0.199 5 0 "[ . 1]" 1
10 1 6 LYS HD3 1 6 LYS HE3 3.000 . 4.100 2.629 2.419 3.019 . 0 0 "[ . 1]" 1
11 1 6 LYS HE3 1 6 LYS HG2 3.100 . 4.300 3.200 2.496 4.247 . 0 0 "[ . 1]" 1
12 1 6 LYS HG3 1 8 ALA H 2.000 . 6.000 5.725 4.236 6.366 0.366 7 0 "[ . 1]" 1
13 1 7 TYR H 1 7 TYR HA 2.400 . 3.100 2.911 2.840 2.951 . 0 0 "[ . 1]" 1
14 1 7 TYR HA 1 7 TYR QB 2.600 . 3.500 2.435 2.336 2.544 . 0 0 "[ . 1]" 1
15 1 7 TYR HA 1 7 TYR QD 2.800 . 6.000 2.661 2.495 3.000 . 0 0 "[ . 1]" 1
16 1 7 TYR HA 1 7 TYR QE 4.300 . 6.000 4.489 4.333 4.659 . 0 0 "[ . 1]" 1
17 1 7 TYR HA 1 8 ALA MB 4.000 . 6.000 4.398 3.898 4.746 . 0 0 "[ . 1]" 1
18 1 7 TYR HA 1 29 THR MG 3.900 . 6.000 5.141 3.733 6.067 0.067 1 0 "[ . 1]" 1
19 1 7 TYR QB 1 7 TYR QD 2.800 . 6.000 2.140 2.133 2.156 . 0 0 "[ . 1]" 1
20 1 7 TYR QB 1 8 ALA H 3.100 . 5.600 2.721 1.821 3.897 0.179 2 0 "[ . 1]" 1
21 1 7 TYR QB 1 8 ALA HA 4.600 . 6.000 3.965 3.704 4.354 . 0 0 "[ . 1]" 1
22 1 7 TYR QB 1 8 ALA MB 4.800 . 6.000 4.047 3.792 4.273 . 0 0 "[ . 1]" 1
23 1 7 TYR QB 1 29 THR MG 4.000 . 6.000 5.407 4.574 5.758 . 0 0 "[ . 1]" 1
24 1 7 TYR QB 1 51 TRP HH2 3.600 . 5.200 3.999 2.003 4.656 . 0 0 "[ . 1]" 1
25 1 7 TYR QB 1 51 TRP HZ3 3.400 . 4.900 3.701 2.596 4.460 . 0 0 "[ . 1]" 1
26 1 7 TYR QB 1 57 THR HA 4.400 . 6.000 3.519 2.197 4.338 . 0 0 "[ . 1]" 1
27 1 7 TYR QB 1 58 TYR QD 4.900 . 6.000 3.968 3.334 4.625 . 0 0 "[ . 1]" 1
28 1 7 TYR QB 1 58 TYR QE 3.700 . 6.000 2.935 2.028 3.881 . 0 0 "[ . 1]" 1
29 1 7 TYR QD 1 29 THR MG 3.200 . 6.000 3.921 3.214 4.403 . 0 0 "[ . 1]" 1
30 1 7 TYR QD 1 57 THR HA 2.800 . 6.000 3.098 2.199 3.723 . 0 0 "[ . 1]" 1
31 1 7 TYR QD 1 57 THR HB 3.900 . 6.000 4.225 3.054 4.896 . 0 0 "[ . 1]" 1
32 1 7 TYR QD 1 57 THR MG 4.700 . 6.000 5.145 4.300 5.688 . 0 0 "[ . 1]" 1
33 1 7 TYR QE 1 29 THR HA 4.200 . 6.000 5.601 4.150 6.087 0.087 3 0 "[ . 1]" 1
34 1 7 TYR QE 1 29 THR HB 4.300 . 6.000 4.752 3.531 5.509 . 0 0 "[ . 1]" 1
35 1 7 TYR QE 1 29 THR MG 3.400 . 6.000 3.849 2.891 4.981 . 0 0 "[ . 1]" 1
36 1 7 TYR QE 1 57 THR HA 4.100 . 6.000 4.592 3.308 5.302 . 0 0 "[ . 1]" 1
37 1 7 TYR QE 1 57 THR HB 4.800 . 6.000 5.094 4.207 6.026 0.026 4 0 "[ . 1]" 1
38 1 7 TYR QE 1 57 THR MG 5.100 . 6.000 5.561 4.653 6.122 0.122 2 0 "[ . 1]" 1
39 1 8 ALA H 1 8 ALA HA 2.900 . 4.000 2.649 2.235 2.940 . 0 0 "[ . 1]" 1
40 1 8 ALA H 1 8 ALA MB 2.500 . 3.300 2.698 2.477 2.906 . 0 0 "[ . 1]" 1
41 1 8 ALA H 1 9 VAL H 3.500 . 5.000 3.968 2.801 4.630 . 0 0 "[ . 1]" 1
42 1 8 ALA HA 1 8 ALA MB 2.000 . 2.500 2.119 2.110 2.127 . 0 0 "[ . 1]" 1
43 1 8 ALA HA 1 9 VAL QG 3.900 . 6.000 4.121 3.748 4.659 . 0 0 "[ . 1]" 1
44 1 8 ALA MB 1 9 VAL H 2.600 . 3.400 1.782 1.735 1.932 0.065 2 0 "[ . 1]" 1
45 1 8 ALA MB 1 51 TRP HD1 4.700 . 6.000 6.151 6.070 6.192 0.192 10 0 "[ . 1]" 1
46 1 8 ALA MB 1 51 TRP HZ2 4.400 . 6.000 2.762 2.243 3.494 . 0 0 "[ . 1]" 1
47 1 9 VAL H 1 9 VAL HA 2.800 . 3.800 2.841 2.778 2.899 . 0 0 "[ . 1]" 1
48 1 9 VAL H 1 9 VAL HB 2.500 . 3.300 2.810 2.476 3.556 0.256 5 0 "[ . 1]" 1
49 1 9 VAL H 1 9 VAL QG 2.600 . 3.500 1.953 1.759 2.357 . 0 0 "[ . 1]" 1
50 1 9 VAL HA 1 9 VAL HB 2.800 . 3.800 2.725 2.373 3.026 . 0 0 "[ . 1]" 1
51 1 9 VAL HA 1 9 VAL QG 2.700 . 3.300 2.232 2.128 2.397 . 0 0 "[ . 1]" 1
52 1 9 VAL HA 1 10 PRO HD2 2.800 . 3.800 2.564 1.913 3.028 . 0 0 "[ . 1]" 1
53 1 9 VAL HA 1 10 PRO HD3 2.500 . 3.300 1.883 1.688 2.473 0.012 5 0 "[ . 1]" 1
54 1 9 VAL HA 1 51 TRP HH2 4.100 . 6.000 6.047 5.984 6.093 0.093 8 0 "[ . 1]" 1
55 1 9 VAL HA 1 51 TRP HZ2 3.400 . 4.800 4.748 4.516 4.865 0.065 8 0 "[ . 1]" 1
56 1 9 VAL HB 1 10 PRO HD2 4.000 . 6.000 4.240 2.611 4.943 . 0 0 "[ . 1]" 1
57 1 9 VAL HB 1 10 PRO HD3 3.900 . 5.800 4.283 2.901 5.169 . 0 0 "[ . 1]" 1
58 1 9 VAL HB 1 51 TRP HZ2 4.900 . 6.000 5.634 4.571 6.087 0.087 2 0 "[ . 1]" 1
59 1 9 VAL QG 1 51 TRP HH2 4.400 . 6.000 5.342 4.764 5.770 . 0 0 "[ . 1]" 1
60 1 9 VAL QG 1 51 TRP HZ2 3.300 . 6.000 3.844 3.181 4.948 . 0 0 "[ . 1]" 1
61 1 10 PRO HA 1 10 PRO HB3 2.300 . 3.000 2.265 2.250 2.289 . 0 0 "[ . 1]" 1
62 1 10 PRO HA 1 11 ASP H 2.200 . 2.800 2.206 2.132 2.285 . 0 0 "[ . 1]" 1
63 1 10 PRO HA 1 12 THR MG 4.400 . 6.000 5.941 5.739 6.043 0.043 8 0 "[ . 1]" 1
64 1 10 PRO HB2 1 10 PRO HD2 3.600 . 5.300 3.250 2.934 4.049 . 0 0 "[ . 1]" 1
65 1 10 PRO HB2 1 10 PRO HD3 3.800 . 5.600 3.940 3.874 4.009 . 0 0 "[ . 1]" 1
66 1 10 PRO HB2 1 10 PRO HG3 2.800 . 3.800 2.906 2.666 2.990 . 0 0 "[ . 1]" 1
67 1 10 PRO HB2 1 11 ASP H 3.700 . 5.400 3.402 3.192 3.622 . 0 0 "[ . 1]" 1
68 1 10 PRO HB2 1 12 THR MG 3.100 . 6.000 4.217 3.849 4.671 . 0 0 "[ . 1]" 1
69 1 10 PRO HB2 1 15 TYR QE 4.200 . 6.000 2.266 1.932 2.868 0.068 3 0 "[ . 1]" 1
70 1 10 PRO HB2 1 40 TYR QE 4.500 . 6.000 3.497 2.836 4.643 . 0 0 "[ . 1]" 1
71 1 10 PRO HB3 1 11 ASP H 3.800 . 5.600 3.467 3.150 3.809 . 0 0 "[ . 1]" 1
72 1 10 PRO HB3 1 12 THR MG 3.900 . 5.800 5.638 5.301 6.051 0.251 9 0 "[ . 1]" 1
73 1 10 PRO HB3 1 15 TYR QE 4.100 . 6.000 3.099 2.628 3.596 . 0 0 "[ . 1]" 1
74 1 10 PRO HB3 1 40 TYR QE 4.400 . 6.000 3.629 2.236 4.357 . 0 0 "[ . 1]" 1
75 1 10 PRO HD3 1 10 PRO HG3 2.800 . 3.800 2.315 2.299 2.325 . 0 0 "[ . 1]" 1
76 1 10 PRO HD3 1 40 TYR QE 5.600 . 6.000 4.060 3.614 4.526 . 0 0 "[ . 1]" 1
77 1 10 PRO HD3 1 51 TRP HZ2 4.900 . 6.000 5.788 5.453 6.035 0.035 6 0 "[ . 1]" 1
78 1 10 PRO HG2 1 40 TYR QE 4.500 . 6.000 2.368 1.866 4.118 0.034 10 0 "[ . 1]" 1
79 1 10 PRO HG2 1 51 TRP HB2 3.200 . 6.000 5.042 4.326 6.004 0.004 4 0 "[ . 1]" 1
80 1 10 PRO HG2 1 51 TRP HB3 5.100 . 6.000 5.759 5.438 6.013 0.013 9 0 "[ . 1]" 1
81 1 10 PRO HG2 1 58 TYR QE 4.900 . 6.000 4.301 3.282 5.790 . 0 0 "[ . 1]" 1
82 1 10 PRO HG3 1 15 TYR QE 5.400 . 6.000 4.646 3.764 5.081 . 0 0 "[ . 1]" 1
83 1 10 PRO HG3 1 40 TYR QE 4.100 . 6.000 2.934 2.114 3.751 . 0 0 "[ . 1]" 1
84 1 10 PRO HG3 1 51 TRP HB2 4.000 . 6.000 4.642 4.287 5.097 . 0 0 "[ . 1]" 1
85 1 10 PRO HG3 1 51 TRP HB3 4.800 . 6.000 5.719 4.670 6.057 0.057 10 0 "[ . 1]" 1
86 1 10 PRO HG3 1 58 TYR QE 3.700 . 5.500 3.276 2.649 4.325 . 0 0 "[ . 1]" 1
87 1 11 ASP H 1 11 ASP HA 3.000 . 4.100 2.901 2.855 2.933 . 0 0 "[ . 1]" 1
88 1 11 ASP H 1 11 ASP HB2 2.700 . 3.600 2.693 2.231 3.770 0.170 2 0 "[ . 1]" 1
89 1 11 ASP H 1 11 ASP HB3 3.000 . 4.100 3.121 2.400 3.631 . 0 0 "[ . 1]" 1
90 1 11 ASP HA 1 11 ASP HB2 2.700 . 3.600 2.738 2.354 3.032 . 0 0 "[ . 1]" 1
91 1 11 ASP HA 1 11 ASP HB3 2.700 . 3.600 2.728 2.480 3.023 . 0 0 "[ . 1]" 1
92 1 11 ASP HA 1 14 THR MG 4.500 . 6.000 5.484 4.200 6.094 0.094 10 0 "[ . 1]" 1
93 1 11 ASP HB2 1 14 THR MG 3.100 . 4.300 3.801 2.614 4.715 0.415 1 0 "[ . 1]" 1
94 1 11 ASP HB3 1 14 THR MG 3.300 . 4.700 3.623 2.423 4.716 0.016 3 0 "[ . 1]" 1
95 1 12 THR HA 1 12 THR HB 2.800 . 3.800 2.583 2.531 2.643 . 0 0 "[ . 1]" 1
96 1 12 THR HA 1 12 THR MG 2.900 . 3.900 2.231 2.188 2.268 . 0 0 "[ . 1]" 1
97 1 12 THR HA 1 13 SER H 3.400 . 4.800 3.382 3.240 3.478 . 0 0 "[ . 1]" 1
98 1 12 THR HA 1 15 TYR HB2 5.400 . 6.000 3.455 3.115 3.886 . 0 0 "[ . 1]" 1
99 1 12 THR HA 1 15 TYR QD 3.700 . 5.400 1.971 1.892 2.108 0.108 6 0 "[ . 1]" 1
100 1 12 THR HA 1 15 TYR QE 4.400 . 6.000 3.225 2.479 3.617 . 0 0 "[ . 1]" 1
101 1 12 THR HB 1 12 THR MG 2.300 . 2.900 2.136 2.134 2.139 . 0 0 "[ . 1]" 1
102 1 12 THR HB 1 15 TYR HB2 4.900 . 6.000 4.662 3.888 4.946 . 0 0 "[ . 1]" 1
103 1 12 THR HB 1 15 TYR QD 5.000 . 6.000 4.266 4.015 4.421 . 0 0 "[ . 1]" 1
104 1 12 THR HB 1 15 TYR QE 4.700 . 6.000 5.617 4.994 6.026 0.026 2 0 "[ . 1]" 1
105 1 12 THR MG 1 15 TYR QD 4.900 . 6.000 3.534 3.343 3.722 . 0 0 "[ . 1]" 1
106 1 12 THR MG 1 15 TYR QE 3.000 . 6.000 3.789 3.276 4.307 . 0 0 "[ . 1]" 1
107 1 12 THR MG 1 24 TYR QD 3.700 . 5.400 4.273 3.153 4.744 . 0 0 "[ . 1]" 1
108 1 12 THR MG 1 24 TYR QE 3.500 . 5.000 4.348 2.930 5.030 0.030 6 0 "[ . 1]" 1
109 1 12 THR MG 1 33 TYR QD 3.800 . 5.600 3.222 2.391 4.569 . 0 0 "[ . 1]" 1
110 1 12 THR MG 1 33 TYR QE 3.000 . 4.200 2.934 2.198 4.211 0.011 4 0 "[ . 1]" 1
111 1 13 SER H 1 13 SER HA 2.700 . 3.600 2.879 2.834 2.901 . 0 0 "[ . 1]" 1
112 1 13 SER H 1 13 SER HB3 2.700 . 3.600 3.095 2.477 3.609 0.009 7 0 "[ . 1]" 1
113 1 13 SER H 1 14 THR H 2.600 . 3.400 2.450 2.375 2.584 . 0 0 "[ . 1]" 1
114 1 13 SER H 1 14 THR MG 4.100 . 6.000 4.502 3.579 5.684 . 0 0 "[ . 1]" 1
115 1 13 SER HA 1 13 SER HB3 2.100 . 2.600 2.518 2.267 3.026 0.426 6 0 "[ . 1]" 1
116 1 14 THR H 1 14 THR HA 2.900 . 4.000 2.899 2.870 2.928 . 0 0 "[ . 1]" 1
117 1 14 THR HA 1 14 THR MG 2.300 . 6.000 2.395 2.223 3.222 . 0 0 "[ . 1]" 1
118 1 14 THR HA 1 15 TYR QD 5.200 . 6.000 5.484 5.187 5.852 . 0 0 "[ . 1]" 1
119 1 14 THR HB 1 14 THR MG 2.100 . 2.600 2.133 2.128 2.135 . 0 0 "[ . 1]" 1
120 1 14 THR HB 1 15 TYR QD 4.700 . 6.000 4.857 3.532 5.704 . 0 0 "[ . 1]" 1
121 1 15 TYR H 1 15 TYR HA 3.000 . 6.000 2.858 2.820 2.876 . 0 0 "[ . 1]" 1
122 1 15 TYR H 1 15 TYR HB2 3.400 . 6.000 2.369 2.276 2.488 . 0 0 "[ . 1]" 1
123 1 15 TYR H 1 26 ASP HA 4.200 . 6.000 4.701 4.426 5.007 . 0 0 "[ . 1]" 1
124 1 15 TYR HA 1 15 TYR HB2 2.400 . 3.100 3.008 2.994 3.019 . 0 0 "[ . 1]" 1
125 1 15 TYR HA 1 15 TYR QD 2.600 . 3.400 2.895 2.480 3.129 . 0 0 "[ . 1]" 1
126 1 15 TYR HA 1 15 TYR QE 3.800 . 5.600 4.609 4.465 4.795 . 0 0 "[ . 1]" 1
127 1 15 TYR HA 1 24 TYR QD 4.600 . 6.000 4.763 4.345 5.459 . 0 0 "[ . 1]" 1
128 1 15 TYR HA 1 26 ASP HA 2.600 . 3.400 2.110 1.922 2.404 . 0 0 "[ . 1]" 1
129 1 15 TYR HA 1 26 ASP HB2 3.600 . 5.200 2.811 2.395 3.541 . 0 0 "[ . 1]" 1
130 1 15 TYR HA 1 27 PRO HD3 3.300 . 4.700 3.335 2.685 3.833 . 0 0 "[ . 1]" 1
131 1 15 TYR HB2 1 15 TYR QD 2.700 . 3.600 2.382 2.278 2.462 . 0 0 "[ . 1]" 1
132 1 15 TYR HB2 1 15 TYR QE 4.600 . 6.000 4.406 4.381 4.438 . 0 0 "[ . 1]" 1
133 1 15 TYR HB2 1 24 TYR QD 2.800 . 3.800 2.900 2.238 3.504 . 0 0 "[ . 1]" 1
134 1 15 TYR HB2 1 26 ASP HA 4.800 . 6.000 4.968 4.833 5.154 . 0 0 "[ . 1]" 1
135 1 15 TYR HB2 1 26 ASP HB2 5.700 . 6.000 4.611 4.219 5.347 . 0 0 "[ . 1]" 1
136 1 15 TYR HB2 1 27 PRO HD3 4.700 . 6.000 6.187 5.643 6.658 0.658 8 3 "[ * +-1]" 1
137 1 15 TYR HB3 1 26 ASP HB2 5.500 . 6.000 4.225 3.793 4.873 . 0 0 "[ . 1]" 1
138 1 15 TYR HB3 1 27 PRO HD3 5.500 . 6.000 5.253 4.787 5.778 . 0 0 "[ . 1]" 1
139 1 15 TYR QD 1 24 TYR QD 4.800 . 6.000 4.210 3.949 4.743 . 0 0 "[ . 1]" 1
140 1 15 TYR QD 1 25 TYR QE 4.100 . 6.000 6.199 5.896 6.335 0.335 9 0 "[ . 1]" 1
141 1 15 TYR QD 1 26 ASP HA 3.700 . 5.400 3.316 2.780 3.586 . 0 0 "[ . 1]" 1
142 1 15 TYR QD 1 26 ASP HB2 3.900 . 5.800 2.770 2.310 2.994 . 0 0 "[ . 1]" 1
143 1 15 TYR QD 1 26 ASP HB3 4.500 . 6.000 3.510 3.079 3.960 . 0 0 "[ . 1]" 1
144 1 15 TYR QD 1 27 PRO HD3 4.900 . 6.000 4.946 4.532 5.461 . 0 0 "[ . 1]" 1
145 1 15 TYR QD 1 33 TYR HB3 4.000 . 6.000 3.870 3.685 4.130 . 0 0 "[ . 1]" 1
146 1 15 TYR QD 1 33 TYR QD 4.100 . 6.000 4.357 3.767 4.635 . 0 0 "[ . 1]" 1
147 1 15 TYR QD 1 33 TYR QE 4.300 . 6.000 5.793 5.137 6.036 0.036 5 0 "[ . 1]" 1
148 1 15 TYR QE 1 24 TYR QD 4.400 . 6.000 5.521 5.080 5.891 . 0 0 "[ . 1]" 1
149 1 15 TYR QE 1 26 ASP HA 4.700 . 6.000 4.631 3.935 5.085 . 0 0 "[ . 1]" 1
150 1 15 TYR QE 1 26 ASP HB2 3.300 . 4.600 3.049 2.410 3.551 . 0 0 "[ . 1]" 1
151 1 15 TYR QE 1 26 ASP HB3 3.300 . 4.700 3.034 2.437 3.366 . 0 0 "[ . 1]" 1
152 1 15 TYR QE 1 33 TYR HB2 3.300 . 4.700 3.319 3.084 3.643 . 0 0 "[ . 1]" 1
153 1 15 TYR QE 1 33 TYR HB3 3.200 . 4.500 3.407 3.053 3.708 . 0 0 "[ . 1]" 1
154 1 16 GLN H 1 16 GLN HA 3.000 . 6.000 2.927 2.912 2.948 . 0 0 "[ . 1]" 1
155 1 16 GLN H 1 16 GLN QB 2.900 . 3.900 2.378 2.259 2.493 . 0 0 "[ . 1]" 1
156 1 16 GLN H 1 24 TYR HA 3.200 . 4.500 4.462 4.212 4.519 0.019 3 0 "[ . 1]" 1
157 1 16 GLN H 1 25 TYR H 2.600 . 3.400 2.839 2.639 2.975 . 0 0 "[ . 1]" 1
158 1 16 GLN H 1 26 ASP HA 3.900 . 5.800 2.865 2.474 3.231 . 0 0 "[ . 1]" 1
159 1 16 GLN HA 1 16 GLN QB 2.400 . 3.100 2.371 2.337 2.419 . 0 0 "[ . 1]" 1
160 1 16 GLN HA 1 16 GLN HG3 2.400 . 3.100 3.069 2.766 3.751 0.651 10 1 "[ . +]" 1
161 1 16 GLN HA 1 17 TYR H 2.100 . 2.700 2.388 2.249 2.497 . 0 0 "[ . 1]" 1
162 1 16 GLN HA 1 24 TYR QD 3.700 . 5.400 4.262 3.757 4.611 . 0 0 "[ . 1]" 1
163 1 16 GLN HA 1 24 TYR QE 4.400 . 6.000 5.352 4.603 5.778 . 0 0 "[ . 1]" 1
164 1 16 GLN QB 1 16 GLN HG3 2.400 . 3.100 2.322 2.163 2.403 . 0 0 "[ . 1]" 1
165 1 16 GLN QB 1 24 TYR QD 5.100 . 6.000 5.206 4.817 5.540 . 0 0 "[ . 1]" 1
166 1 16 GLN QB 1 25 TYR QD 3.300 . 6.000 3.550 2.974 4.468 . 0 0 "[ . 1]" 1
167 1 16 GLN QB 1 25 TYR QE 4.800 . 6.000 5.272 4.839 5.789 . 0 0 "[ . 1]" 1
168 1 16 GLN QB 1 27 PRO HD3 3.800 . 5.600 3.085 2.395 3.702 . 0 0 "[ . 1]" 1
169 1 16 GLN HG3 1 25 TYR QD 4.100 . 6.000 5.198 3.804 6.932 0.932 2 1 "[ + . 1]" 1
170 1 16 GLN HG3 1 27 PRO HD3 3.400 . 6.000 3.697 1.978 5.986 . 0 0 "[ . 1]" 1
171 1 17 TYR H 1 17 TYR HB3 2.700 . 3.600 2.552 2.428 2.741 . 0 0 "[ . 1]" 1
172 1 17 TYR H 1 18 ASP H 4.600 . 6.000 4.317 4.165 4.431 . 0 0 "[ . 1]" 1
173 1 17 TYR HA 1 17 TYR HB3 3.000 . 4.100 3.024 3.011 3.029 . 0 0 "[ . 1]" 1
174 1 17 TYR HA 1 17 TYR QD 2.700 . 3.600 2.775 2.551 3.072 . 0 0 "[ . 1]" 1
175 1 17 TYR HA 1 17 TYR QE 4.000 . 6.000 4.612 4.537 4.679 . 0 0 "[ . 1]" 1
176 1 17 TYR HA 1 18 ASP H 2.400 . 3.100 2.156 2.136 2.182 . 0 0 "[ . 1]" 1
177 1 17 TYR HA 1 24 TYR HA 2.500 . 3.300 2.706 2.503 3.017 . 0 0 "[ . 1]" 1
178 1 17 TYR HA 1 24 TYR HB2 4.500 . 6.000 5.552 5.255 5.954 . 0 0 "[ . 1]" 1
179 1 17 TYR HA 1 24 TYR HB3 4.900 . 6.000 4.869 4.556 5.307 . 0 0 "[ . 1]" 1
180 1 17 TYR HA 1 24 TYR QD 3.800 . 5.600 3.338 2.758 3.888 . 0 0 "[ . 1]" 1
181 1 17 TYR HA 1 24 TYR QE 3.700 . 6.000 4.383 3.801 4.988 . 0 0 "[ . 1]" 1
182 1 17 TYR HB2 1 17 TYR QD 2.700 . 3.600 2.464 2.314 2.556 . 0 0 "[ . 1]" 1
183 1 17 TYR HB2 1 17 TYR QE 4.300 . 6.000 4.431 4.386 4.457 . 0 0 "[ . 1]" 1
184 1 17 TYR HB2 1 24 TYR HA 3.900 . 6.000 4.725 4.473 4.962 . 0 0 "[ . 1]" 1
185 1 17 TYR HB3 1 17 TYR QD 2.600 . 3.400 2.353 2.295 2.496 . 0 0 "[ . 1]" 1
186 1 17 TYR HB3 1 17 TYR QE 4.200 . 6.000 4.405 4.388 4.446 . 0 0 "[ . 1]" 1
187 1 17 TYR HB3 1 24 TYR HA 4.600 . 6.000 5.677 5.461 5.973 . 0 0 "[ . 1]" 1
188 1 17 TYR HB3 1 24 TYR QD 4.100 . 6.000 5.343 4.727 6.002 0.002 4 0 "[ . 1]" 1
189 1 17 TYR HB3 1 24 TYR QE 3.800 . 5.600 5.245 4.297 6.255 0.655 4 1 "[ +. 1]" 1
190 1 17 TYR QD 1 19 GLU HA 3.400 . 4.900 3.324 2.758 3.810 . 0 0 "[ . 1]" 1
191 1 17 TYR QD 1 19 GLU QB 4.200 . 6.000 3.769 2.932 4.457 . 0 0 "[ . 1]" 1
192 1 17 TYR QD 1 19 GLU HG3 2.500 . 6.000 3.526 2.285 4.934 . 0 0 "[ . 1]" 1
193 1 17 TYR QD 1 24 TYR HA 3.500 . 5.000 4.130 3.835 4.496 . 0 0 "[ . 1]" 1
194 1 17 TYR QD 1 24 TYR QD 3.900 . 6.000 3.765 3.338 4.613 . 0 0 "[ . 1]" 1
195 1 17 TYR QD 1 24 TYR QE 3.100 . 6.000 3.343 2.679 4.513 . 0 0 "[ . 1]" 1
196 1 17 TYR QE 1 19 GLU HA 2.500 . 3.300 2.485 2.125 3.023 . 0 0 "[ . 1]" 1
197 1 17 TYR QE 1 19 GLU QB 3.200 . 4.500 3.616 2.947 4.338 . 0 0 "[ . 1]" 1
198 1 17 TYR QE 1 19 GLU HG3 2.800 . 3.800 3.376 2.676 4.324 0.524 6 1 "[ .+ 1]" 1
199 1 17 TYR QE 1 22 GLY HA2 3.000 . 4.200 2.990 2.279 3.267 . 0 0 "[ . 1]" 1
200 1 17 TYR QE 1 22 GLY HA3 3.700 . 5.400 3.979 3.669 4.304 . 0 0 "[ . 1]" 1
201 1 17 TYR QE 1 24 TYR QE 2.500 . 6.000 4.627 3.223 5.980 . 0 0 "[ . 1]" 1
202 1 18 ASP H 1 18 ASP HB2 2.900 . 6.000 2.834 2.554 3.074 . 0 0 "[ . 1]" 1
203 1 18 ASP H 1 18 ASP HB3 3.300 . 4.700 2.469 2.349 2.699 . 0 0 "[ . 1]" 1
204 1 18 ASP H 1 19 GLU H 4.100 . 6.000 4.344 4.245 4.413 . 0 0 "[ . 1]" 1
205 1 18 ASP H 1 24 TYR HA 3.100 . 4.300 3.227 3.101 3.451 . 0 0 "[ . 1]" 1
206 1 18 ASP H 1 25 TYR H 3.600 . 5.200 3.784 3.473 4.233 . 0 0 "[ . 1]" 1
207 1 18 ASP HA 1 18 ASP HB2 2.700 . 3.600 2.434 2.352 2.567 . 0 0 "[ . 1]" 1
208 1 18 ASP HA 1 18 ASP HB3 2.800 . 3.800 3.027 3.011 3.036 . 0 0 "[ . 1]" 1
209 1 18 ASP HB2 1 25 TYR QD 4.600 . 6.000 4.516 3.558 5.500 . 0 0 "[ . 1]" 1
210 1 18 ASP HB2 1 32 TYR QE 3.900 . 6.000 5.746 5.382 5.980 . 0 0 "[ . 1]" 1
211 1 18 ASP HB3 1 32 TYR QE 3.800 . 6.000 5.919 5.417 6.055 0.055 3 0 "[ . 1]" 1
212 1 19 GLU H 1 19 GLU QB 2.600 . 3.400 2.292 2.176 2.462 . 0 0 "[ . 1]" 1
213 1 19 GLU H 1 20 SER H 2.500 . 3.300 2.620 2.541 2.728 . 0 0 "[ . 1]" 1
214 1 19 GLU H 1 22 GLY H 4.300 . 6.000 4.570 4.512 4.642 . 0 0 "[ . 1]" 1
215 1 19 GLU HA 1 19 GLU QB 2.200 . 2.800 2.370 2.326 2.407 . 0 0 "[ . 1]" 1
216 1 19 GLU HA 1 19 GLU HG3 2.600 . 3.400 2.747 2.420 3.153 . 0 0 "[ . 1]" 1
217 1 19 GLU HA 1 20 SER H 3.300 . 4.700 3.478 3.406 3.545 . 0 0 "[ . 1]" 1
218 1 19 GLU QB 1 19 GLU HG3 2.600 . 3.400 2.359 2.306 2.423 . 0 0 "[ . 1]" 1
219 1 20 SER H 1 20 SER HA 2.400 . 3.100 2.827 2.785 2.860 . 0 0 "[ . 1]" 1
220 1 20 SER H 1 21 SER H 2.400 . 3.100 2.690 2.561 2.796 . 0 0 "[ . 1]" 1
221 1 21 SER H 1 21 SER HA 2.800 . 3.800 2.932 2.915 2.943 . 0 0 "[ . 1]" 1
222 1 21 SER H 1 21 SER HB3 3.100 . 4.300 3.531 2.694 3.665 . 0 0 "[ . 1]" 1
223 1 21 SER H 1 22 GLY H 2.000 . 2.500 2.166 2.009 2.268 . 0 0 "[ . 1]" 1
224 1 21 SER H 1 23 TYR H 3.800 . 5.600 3.913 3.753 4.080 . 0 0 "[ . 1]" 1
225 1 21 SER HA 1 21 SER HB3 2.100 . 2.600 2.370 2.317 2.454 . 0 0 "[ . 1]" 1
226 1 21 SER HA 1 23 TYR QD 4.500 . 6.000 4.323 4.205 4.448 . 0 0 "[ . 1]" 1
227 1 21 SER HA 1 23 TYR QE 4.400 . 6.000 3.547 3.428 3.669 . 0 0 "[ . 1]" 1
228 1 21 SER HA 2 8 GLY HA3 3.700 . 6.000 6.190 6.156 6.213 0.213 10 0 "[ . 1]" 1
229 1 21 SER HA 2 9 ILE HA 3.300 . 4.600 3.798 3.426 4.155 . 0 0 "[ . 1]" 1
230 1 21 SER HA 2 9 ILE HB 4.800 . 6.000 5.196 4.915 5.627 . 0 0 "[ . 1]" 1
231 1 21 SER HA 2 9 ILE MD 5.800 . 6.000 5.505 5.450 5.559 . 0 0 "[ . 1]" 1
232 1 21 SER HA 2 9 ILE MG 5.300 . 6.000 3.086 2.909 3.226 . 0 0 "[ . 1]" 1
233 1 21 SER HB2 1 23 TYR QD 3.100 . 4.300 2.179 2.031 2.382 . 0 0 "[ . 1]" 1
234 1 21 SER HB3 1 23 TYR QD 3.200 . 4.500 2.407 2.184 3.389 . 0 0 "[ . 1]" 1
235 1 21 SER HB3 1 23 TYR QE 3.600 . 6.000 2.164 1.748 3.734 . 0 0 "[ . 1]" 1
236 1 21 SER HB3 2 5 PRO HG2 4.400 . 6.000 5.359 5.210 5.471 . 0 0 "[ . 1]" 1
237 1 21 SER HB3 2 9 ILE HA 4.300 . 6.000 3.800 3.409 4.534 . 0 0 "[ . 1]" 1
238 1 21 SER HB3 2 9 ILE HB 4.800 . 6.000 4.877 4.722 5.057 . 0 0 "[ . 1]" 1
239 1 21 SER HB3 2 9 ILE MD 4.700 . 6.000 4.057 3.869 4.639 . 0 0 "[ . 1]" 1
240 1 21 SER HB3 2 9 ILE HG12 5.500 . 6.000 6.067 5.938 6.704 0.704 6 1 "[ .+ 1]" 1
241 1 21 SER HB3 2 9 ILE HG13 5.400 . 6.000 5.879 5.736 6.174 0.174 6 0 "[ . 1]" 1
242 1 21 SER HB3 2 9 ILE MG 4.200 . 6.000 2.188 2.085 2.540 . 0 0 "[ . 1]" 1
243 1 22 GLY H 1 22 GLY HA2 2.500 . 3.300 2.349 2.324 2.370 . 0 0 "[ . 1]" 1
244 1 22 GLY H 1 22 GLY HA3 3.000 . 4.100 2.918 2.896 2.931 . 0 0 "[ . 1]" 1
245 1 22 GLY H 1 23 TYR H 2.300 . 2.900 2.311 2.225 2.404 . 0 0 "[ . 1]" 1
246 1 22 GLY HA2 1 23 TYR HA 4.600 . 6.000 4.485 4.446 4.501 . 0 0 "[ . 1]" 1
247 1 22 GLY HA2 1 23 TYR QD 4.800 . 6.000 4.967 4.915 5.012 . 0 0 "[ . 1]" 1
248 1 22 GLY HA3 1 23 TYR HA 4.700 . 6.000 4.547 4.519 4.562 . 0 0 "[ . 1]" 1
249 1 22 GLY HA3 1 23 TYR QD 4.500 . 6.000 4.323 4.244 4.460 . 0 0 "[ . 1]" 1
250 1 23 TYR H 1 23 TYR HA 3.000 . 6.000 2.946 2.940 2.954 . 0 0 "[ . 1]" 1
251 1 23 TYR H 1 23 TYR HB2 2.600 . 3.500 2.906 2.876 2.939 . 0 0 "[ . 1]" 1
252 1 23 TYR H 1 23 TYR HB3 3.500 . 5.000 3.902 3.886 3.920 . 0 0 "[ . 1]" 1
253 1 23 TYR H 1 24 TYR H 3.900 . 5.800 4.410 4.399 4.429 . 0 0 "[ . 1]" 1
254 1 23 TYR HA 1 23 TYR HB2 3.000 . 4.100 3.016 3.010 3.022 . 0 0 "[ . 1]" 1
255 1 23 TYR HA 1 23 TYR HB3 2.600 . 3.400 2.377 2.357 2.393 . 0 0 "[ . 1]" 1
256 1 23 TYR HA 1 23 TYR QD 2.600 . 6.000 2.458 2.362 2.548 . 0 0 "[ . 1]" 1
257 1 23 TYR HA 1 23 TYR QE 4.000 . 6.000 4.612 4.550 4.671 . 0 0 "[ . 1]" 1
258 1 23 TYR HA 1 34 ASP HA 3.400 . 4.800 4.213 4.112 4.310 . 0 0 "[ . 1]" 1
259 1 23 TYR HA 1 35 PRO HD2 3.300 . 4.700 4.525 4.285 4.725 0.025 8 0 "[ . 1]" 1
260 1 23 TYR HA 1 35 PRO HD3 3.300 . 4.600 4.573 4.189 4.696 0.096 7 0 "[ . 1]" 1
261 1 23 TYR HA 1 35 PRO QG 4.100 . 6.000 5.406 5.041 5.606 . 0 0 "[ . 1]" 1
262 1 23 TYR HB2 1 23 TYR QD 3.000 . 4.100 2.261 2.242 2.295 . 0 0 "[ . 1]" 1
263 1 23 TYR HB2 1 34 ASP HA 5.800 . 6.000 4.787 4.675 4.920 . 0 0 "[ . 1]" 1
264 1 23 TYR HB3 1 23 TYR QD 3.200 . 4.500 2.632 2.581 2.676 . 0 0 "[ . 1]" 1
265 1 23 TYR HB3 1 23 TYR QE 4.600 . 6.000 4.473 4.437 4.490 . 0 0 "[ . 1]" 1
266 1 23 TYR HB3 1 32 TYR HA 4.700 . 6.000 5.908 5.771 6.006 0.006 6 0 "[ . 1]" 1
267 1 23 TYR HB3 1 32 TYR HB3 3.300 . 6.000 5.248 5.128 5.388 . 0 0 "[ . 1]" 1
268 1 23 TYR HB3 1 32 TYR QD 4.200 . 6.000 5.743 5.516 6.017 0.017 3 0 "[ . 1]" 1
269 1 23 TYR HB3 1 34 ASP HA 4.100 . 6.000 3.061 2.961 3.180 . 0 0 "[ . 1]" 1
270 1 23 TYR QD 1 34 ASP HA 3.300 . 6.000 3.588 3.428 3.742 . 0 0 "[ . 1]" 1
271 1 23 TYR QD 1 34 ASP HB2 3.600 . 5.200 3.167 3.028 3.628 . 0 0 "[ . 1]" 1
272 1 23 TYR QD 1 34 ASP HB3 4.400 . 6.000 4.564 4.374 5.028 . 0 0 "[ . 1]" 1
273 1 23 TYR QE 1 34 ASP HA 4.000 . 6.000 5.226 5.019 5.498 . 0 0 "[ . 1]" 1
274 1 23 TYR QE 1 34 ASP HB2 3.300 . 6.000 4.108 3.878 4.330 . 0 0 "[ . 1]" 1
275 1 23 TYR QE 1 34 ASP HB3 3.600 . 6.000 5.088 4.837 5.523 . 0 0 "[ . 1]" 1
276 1 23 TYR QE 1 35 PRO HD2 4.500 . 6.000 5.061 4.687 5.380 . 0 0 "[ . 1]" 1
277 1 23 TYR QE 2 5 PRO HB2 5.500 . 6.000 4.789 4.658 4.910 . 0 0 "[ . 1]" 1
278 1 23 TYR QE 2 5 PRO HG2 5.000 . 6.000 5.299 5.145 5.384 . 0 0 "[ . 1]" 1
279 1 23 TYR QE 2 6 PRO HA 3.900 . 6.000 5.634 5.584 5.729 . 0 0 "[ . 1]" 1
280 1 23 TYR QE 2 6 PRO HD2 4.100 . 6.000 4.420 4.346 4.540 . 0 0 "[ . 1]" 1
281 1 23 TYR QE 2 6 PRO HD3 5.000 . 6.000 6.049 5.997 6.135 0.135 10 0 "[ . 1]" 1
282 1 23 TYR QE 2 6 PRO HG3 3.900 . 6.000 6.103 6.059 6.238 0.238 6 0 "[ . 1]" 1
283 1 23 TYR QE 2 7 PRO HD2 3.700 . 6.000 5.667 5.479 5.749 . 0 0 "[ . 1]" 1
284 1 23 TYR QE 2 9 ILE MD 4.700 . 6.000 3.314 3.277 3.362 . 0 0 "[ . 1]" 1
285 1 23 TYR QE 2 9 ILE MG 4.800 . 6.000 2.186 1.890 2.582 . 0 0 "[ . 1]" 1
286 1 23 TYR QE 2 10 ARG HG3 5.100 . 6.000 5.028 4.590 5.463 . 0 0 "[ . 1]" 1
287 1 24 TYR H 1 24 TYR HB2 2.900 . 3.900 2.405 2.355 2.502 . 0 0 "[ . 1]" 1
288 1 24 TYR H 1 24 TYR HB3 3.300 . 4.600 3.623 3.597 3.668 . 0 0 "[ . 1]" 1
289 1 24 TYR H 1 33 TYR H 2.800 . 3.800 3.522 3.357 3.663 . 0 0 "[ . 1]" 1
290 1 24 TYR HA 1 24 TYR HB2 3.000 . 4.100 3.016 3.010 3.024 . 0 0 "[ . 1]" 1
291 1 24 TYR HA 1 24 TYR HB3 2.900 . 3.900 2.517 2.457 2.548 . 0 0 "[ . 1]" 1
292 1 24 TYR HA 1 24 TYR QD 3.500 . 5.000 2.577 2.314 2.849 . 0 0 "[ . 1]" 1
293 1 24 TYR HA 1 24 TYR QE 4.400 . 6.000 4.487 4.386 4.564 . 0 0 "[ . 1]" 1
294 1 24 TYR HA 1 25 TYR H 2.400 . 3.100 2.139 2.118 2.166 . 0 0 "[ . 1]" 1
295 1 24 TYR HB2 1 24 TYR QE 4.300 . 6.000 4.389 4.368 4.409 . 0 0 "[ . 1]" 1
296 1 24 TYR HB3 1 24 TYR QD 3.000 . 4.100 2.532 2.422 2.636 . 0 0 "[ . 1]" 1
297 1 24 TYR HB3 1 24 TYR QE 4.600 . 6.000 4.448 4.421 4.469 . 0 0 "[ . 1]" 1
298 1 24 TYR HB3 1 33 TYR HB2 4.300 . 6.000 5.230 4.802 5.854 . 0 0 "[ . 1]" 1
299 1 24 TYR HB3 1 33 TYR HB3 3.800 . 5.600 3.632 3.224 4.197 . 0 0 "[ . 1]" 1
300 1 24 TYR HB3 1 33 TYR QD 3.900 . 5.800 4.055 3.620 4.512 . 0 0 "[ . 1]" 1
301 1 24 TYR QD 1 35 PRO HD2 3.300 . 4.700 3.908 3.538 4.294 . 0 0 "[ . 1]" 1
302 1 24 TYR QD 1 35 PRO HD3 3.600 . 5.200 2.608 2.082 3.155 . 0 0 "[ . 1]" 1
303 1 24 TYR QD 1 35 PRO QG 3.300 . 4.600 3.269 2.901 3.719 . 0 0 "[ . 1]" 1
304 1 24 TYR QE 1 35 PRO HB3 3.900 . 5.800 5.045 3.819 5.834 0.034 2 0 "[ . 1]" 1
305 1 24 TYR QE 1 35 PRO HD2 3.600 . 5.200 4.190 3.521 5.014 . 0 0 "[ . 1]" 1
306 1 24 TYR QE 1 35 PRO HD3 3.700 . 5.500 3.637 2.723 4.389 . 0 0 "[ . 1]" 1
307 1 24 TYR QE 1 35 PRO QG 3.000 . 4.100 2.740 2.055 3.627 . 0 0 "[ . 1]" 1
308 1 25 TYR H 1 25 TYR HB3 2.500 . 6.000 2.655 2.580 2.727 . 0 0 "[ . 1]" 1
309 1 25 TYR H 1 26 ASP H 3.900 . 5.800 4.202 4.093 4.321 . 0 0 "[ . 1]" 1
310 1 25 TYR HA 1 25 TYR HB3 3.000 . 4.100 3.034 3.029 3.039 . 0 0 "[ . 1]" 1
311 1 25 TYR HA 1 25 TYR QD 2.900 . 3.900 3.005 2.306 3.267 . 0 0 "[ . 1]" 1
312 1 25 TYR HA 1 25 TYR QE 4.100 . 6.000 4.769 4.553 4.867 . 0 0 "[ . 1]" 1
313 1 25 TYR HA 1 32 TYR HA 2.500 . 6.000 2.428 2.128 2.573 . 0 0 "[ . 1]" 1
314 1 25 TYR HA 1 32 TYR QD 3.000 . 6.000 4.216 3.509 4.489 . 0 0 "[ . 1]" 1
315 1 25 TYR HB3 1 25 TYR QD 2.500 . 3.300 2.548 2.436 2.708 . 0 0 "[ . 1]" 1
316 1 25 TYR HB3 1 25 TYR QE 4.200 . 6.000 4.456 4.423 4.501 . 0 0 "[ . 1]" 1
317 1 25 TYR HB3 1 26 ASP H 3.100 . 6.000 4.328 4.221 4.402 . 0 0 "[ . 1]" 1
318 1 25 TYR HB3 1 32 TYR HA 4.800 . 6.000 5.118 4.748 5.433 . 0 0 "[ . 1]" 1
319 1 25 TYR HB3 1 32 TYR QD 4.000 . 6.000 5.654 5.174 5.942 . 0 0 "[ . 1]" 1
320 1 25 TYR HB3 1 32 TYR QE 3.700 . 6.000 5.659 5.168 5.935 . 0 0 "[ . 1]" 1
321 1 25 TYR QD 1 27 PRO HB2 5.000 . 6.000 5.515 5.169 6.355 0.355 2 0 "[ . 1]" 1
322 1 25 TYR QD 1 27 PRO HD3 3.300 . 6.000 3.282 2.810 4.468 . 0 0 "[ . 1]" 1
323 1 25 TYR QD 1 27 PRO HG3 3.000 . 6.000 4.390 2.961 5.723 . 0 0 "[ . 1]" 1
324 1 25 TYR QD 1 30 GLY HA2 4.200 . 6.000 4.513 3.882 4.757 . 0 0 "[ . 1]" 1
325 1 25 TYR QD 1 30 GLY HA3 4.000 . 6.000 5.895 5.347 6.066 0.066 1 0 "[ . 1]" 1
326 1 25 TYR QD 1 32 TYR HA 3.300 . 6.000 3.784 3.156 4.456 . 0 0 "[ . 1]" 1
327 1 25 TYR QD 1 32 TYR QD 3.300 . 4.600 3.393 2.891 3.799 . 0 0 "[ . 1]" 1
328 1 25 TYR QD 1 32 TYR QE 3.400 . 4.800 3.126 2.922 3.562 . 0 0 "[ . 1]" 1
329 1 25 TYR QE 1 27 PRO HB2 4.300 . 6.000 4.778 4.378 6.032 0.032 2 0 "[ . 1]" 1
330 1 25 TYR QE 1 27 PRO HB3 3.100 . 6.000 3.694 3.304 5.183 . 0 0 "[ . 1]" 1
331 1 25 TYR QE 1 27 PRO HD3 3.800 . 6.000 4.439 3.934 5.535 . 0 0 "[ . 1]" 1
332 1 25 TYR QE 1 27 PRO HG3 2.900 . 6.000 4.795 3.387 6.076 0.076 5 0 "[ . 1]" 1
333 1 25 TYR QE 1 30 GLY HA2 2.800 . 3.800 3.115 1.776 3.702 0.024 2 0 "[ . 1]" 1
334 1 25 TYR QE 1 30 GLY HA3 3.400 . 4.800 4.411 3.378 4.796 . 0 0 "[ . 1]" 1
335 1 25 TYR QE 1 32 TYR QD 3.800 . 6.000 3.707 3.158 4.252 . 0 0 "[ . 1]" 1
336 1 25 TYR QE 2 3 ARG HB2 5.500 . 6.000 6.132 6.065 6.272 0.272 2 0 "[ . 1]" 1
337 1 25 TYR QE 2 3 ARG HD3 4.600 . 6.000 4.446 3.588 5.499 . 0 0 "[ . 1]" 1
338 1 25 TYR QE 2 3 ARG HG3 4.900 . 6.000 5.761 5.114 6.059 0.059 5 0 "[ . 1]" 1
339 1 25 TYR QE 2 6 PRO HG3 5.100 . 6.000 5.617 5.082 5.993 . 0 0 "[ . 1]" 1
340 1 26 ASP H 1 26 ASP HA 2.300 . 3.000 2.925 2.916 2.939 . 0 0 "[ . 1]" 1
341 1 26 ASP H 1 26 ASP HB2 3.000 . 4.100 2.923 2.748 3.115 . 0 0 "[ . 1]" 1
342 1 26 ASP H 1 26 ASP HB3 2.700 . 3.600 2.444 2.283 2.518 . 0 0 "[ . 1]" 1
343 1 26 ASP HA 1 26 ASP HB2 2.800 . 3.800 2.408 2.315 2.472 . 0 0 "[ . 1]" 1
344 1 26 ASP HA 1 27 PRO HD3 2.000 . 2.500 2.164 1.799 2.546 0.046 5 0 "[ . 1]" 1
345 1 26 ASP HA 1 27 PRO HG3 4.100 . 6.000 4.206 3.995 4.381 . 0 0 "[ . 1]" 1
346 1 26 ASP HB2 1 27 PRO HD3 4.400 . 6.000 4.550 4.150 5.001 . 0 0 "[ . 1]" 1
347 1 26 ASP HB3 1 27 PRO HD3 4.800 . 6.000 4.953 4.661 5.197 . 0 0 "[ . 1]" 1
348 1 27 PRO HA 1 27 PRO HB3 2.300 . 3.000 2.280 2.264 2.294 . 0 0 "[ . 1]" 1
349 1 27 PRO HD3 1 27 PRO HG3 2.000 . 2.500 2.317 2.294 2.335 . 0 0 "[ . 1]" 1
350 1 28 THR H 1 28 THR HA 2.600 . 3.500 2.848 2.826 2.863 . 0 0 "[ . 1]" 1
351 1 28 THR H 1 28 THR HB 2.700 . 3.600 3.242 2.784 3.652 0.052 1 0 "[ . 1]" 1
352 1 28 THR H 1 28 THR MG 2.700 . 6.000 3.102 2.210 3.715 . 0 0 "[ . 1]" 1
353 1 28 THR H 1 29 THR H 2.400 . 3.100 2.698 2.638 2.770 . 0 0 "[ . 1]" 1
354 1 28 THR H 1 30 GLY H 3.200 . 4.500 3.601 3.489 3.751 . 0 0 "[ . 1]" 1
355 1 28 THR HA 1 28 THR HB 2.200 . 2.800 2.752 2.433 2.973 0.173 4 0 "[ . 1]" 1
356 1 28 THR HA 1 28 THR MG 2.500 . 3.300 2.231 2.139 2.384 . 0 0 "[ . 1]" 1
357 1 28 THR HB 1 28 THR MG 2.200 . 2.800 2.132 2.128 2.135 . 0 0 "[ . 1]" 1
358 1 29 THR H 1 29 THR HA 2.700 . 3.600 2.921 2.905 2.938 . 0 0 "[ . 1]" 1
359 1 29 THR H 1 29 THR HB 3.700 . 5.400 3.554 2.670 3.680 . 0 0 "[ . 1]" 1
360 1 29 THR H 1 29 THR MG 2.800 . 3.800 2.710 2.492 3.834 0.034 3 0 "[ . 1]" 1
361 1 29 THR H 1 30 GLY H 2.100 . 2.700 2.218 2.059 2.317 . 0 0 "[ . 1]" 1
362 1 29 THR H 1 31 LEU H 3.400 . 4.800 3.646 3.463 3.837 . 0 0 "[ . 1]" 1
363 1 29 THR HA 1 29 THR HB 2.300 . 2.900 2.548 2.487 3.001 0.101 3 0 "[ . 1]" 1
364 1 29 THR HA 1 29 THR MG 2.100 . 6.000 2.310 2.279 2.328 . 0 0 "[ . 1]" 1
365 1 29 THR HA 1 31 LEU QD 4.100 . 6.000 4.019 3.771 4.612 . 0 0 "[ . 1]" 1
366 1 29 THR HB 1 29 THR MG 2.200 . 2.800 2.135 2.132 2.137 . 0 0 "[ . 1]" 1
367 1 29 THR HB 1 31 LEU HB2 3.700 . 5.400 3.627 2.879 4.149 . 0 0 "[ . 1]" 1
368 1 29 THR HB 1 31 LEU HB3 4.500 . 6.000 5.187 4.596 5.598 . 0 0 "[ . 1]" 1
369 1 29 THR HB 1 31 LEU QD 3.200 . 4.400 2.096 1.937 2.789 0.063 9 0 "[ . 1]" 1
370 1 29 THR HB 1 58 TYR QE 4.500 . 6.000 5.343 4.321 6.012 0.012 10 0 "[ . 1]" 1
371 1 29 THR MG 1 31 LEU QD 2.400 . 6.000 3.034 2.263 3.282 . 0 0 "[ . 1]" 1
372 1 29 THR MG 1 58 TYR QE 3.300 . 6.000 4.704 3.740 5.551 . 0 0 "[ . 1]" 1
373 1 30 GLY H 1 30 GLY HA2 2.600 . 3.500 2.337 2.304 2.370 . 0 0 "[ . 1]" 1
374 1 30 GLY H 1 31 LEU H 2.500 . 3.300 2.320 2.209 2.465 . 0 0 "[ . 1]" 1
375 1 30 GLY HA2 1 31 LEU QD 4.900 . 6.000 4.502 4.274 4.915 . 0 0 "[ . 1]" 1
376 1 30 GLY HA3 1 31 LEU QD 4.500 . 6.000 3.866 3.490 4.341 . 0 0 "[ . 1]" 1
377 1 31 LEU H 1 31 LEU HA 3.000 . 4.100 2.909 2.891 2.931 . 0 0 "[ . 1]" 1
378 1 31 LEU HA 1 31 LEU HB2 2.900 . 3.900 2.941 2.809 3.009 . 0 0 "[ . 1]" 1
379 1 31 LEU HA 1 31 LEU HB3 2.900 . 3.900 2.693 2.508 2.873 . 0 0 "[ . 1]" 1
380 1 31 LEU HA 1 31 LEU QD 2.300 . 5.300 2.303 1.840 2.632 0.060 4 0 "[ . 1]" 1
381 1 31 LEU HA 1 31 LEU HG 2.900 . 3.900 2.580 2.288 3.646 . 0 0 "[ . 1]" 1
382 1 31 LEU HA 1 32 TYR QD 3.400 . 6.000 3.045 2.786 3.411 . 0 0 "[ . 1]" 1
383 1 31 LEU HA 1 42 ASN HA 2.900 . 4.000 2.476 2.314 2.600 . 0 0 "[ . 1]" 1
384 1 31 LEU HB2 1 31 LEU QD 2.600 . 3.900 2.153 2.114 2.311 . 0 0 "[ . 1]" 1
385 1 31 LEU HB2 1 40 TYR QD 3.800 . 5.600 4.482 4.065 4.845 . 0 0 "[ . 1]" 1
386 1 31 LEU HB2 1 40 TYR QE 5.000 . 6.000 5.482 3.332 6.067 0.067 8 0 "[ . 1]" 1
387 1 31 LEU HB3 1 31 LEU QD 3.500 . 3.600 2.225 2.115 2.381 . 0 0 "[ . 1]" 1
388 1 31 LEU HB3 1 31 LEU HG 2.700 . 3.600 2.551 2.370 3.021 . 0 0 "[ . 1]" 1
389 1 31 LEU HB3 1 40 TYR QD 3.200 . 6.000 3.020 2.523 3.444 . 0 0 "[ . 1]" 1
390 1 31 LEU HB3 1 40 TYR QE 4.500 . 6.000 4.475 2.414 4.911 . 0 0 "[ . 1]" 1
391 1 31 LEU MD1 1 31 LEU MD2 2.400 . 3.100 2.082 2.065 2.087 . 0 0 "[ . 1]" 1
392 1 31 LEU QD 1 40 TYR HA 5.000 . 6.000 4.660 4.329 5.201 . 0 0 "[ . 1]" 1
393 1 31 LEU QD 1 40 TYR HB2 3.700 . 5.400 3.899 3.289 4.745 . 0 0 "[ . 1]" 1
394 1 31 LEU QD 1 40 TYR QD 4.000 . 4.700 2.471 1.955 3.198 . 0 0 "[ . 1]" 1
395 1 31 LEU QD 1 40 TYR QE 5.100 . 5.800 3.577 2.156 4.822 . 0 0 "[ . 1]" 1
396 1 31 LEU QD 1 42 ASN HA 2.300 . 6.000 2.672 2.048 3.042 . 0 0 "[ . 1]" 1
397 1 31 LEU QD 1 42 ASN QB 3.300 . 3.300 2.449 2.031 3.121 . 0 0 "[ . 1]" 1
398 1 31 LEU QD 1 49 LEU HB2 4.800 . 6.000 4.082 3.338 4.552 . 0 0 "[ . 1]" 1
399 1 31 LEU QD 1 49 LEU HB3 4.000 . 6.000 4.623 4.104 5.122 . 0 0 "[ . 1]" 1
400 1 31 LEU QD 1 49 LEU QD 3.000 . 6.000 2.924 2.422 3.671 . 0 0 "[ . 1]" 1
401 1 31 LEU QD 1 49 LEU HG 4.700 . 6.000 5.057 4.142 5.699 . 0 0 "[ . 1]" 1
402 1 31 LEU QD 1 58 TYR HB3 3.800 . 5.600 3.938 3.369 4.786 . 0 0 "[ . 1]" 1
403 1 31 LEU QD 1 58 TYR QD 4.900 . 5.200 3.169 2.888 3.563 . 0 0 "[ . 1]" 1
404 1 31 LEU QD 1 58 TYR QE 3.500 . 5.000 2.847 2.653 3.256 . 0 0 "[ . 1]" 1
405 1 32 TYR H 1 32 TYR HB3 3.400 . 6.000 3.589 3.561 3.636 . 0 0 "[ . 1]" 1
406 1 32 TYR H 1 41 TYR H 2.900 . 3.900 2.515 2.218 2.965 . 0 0 "[ . 1]" 1
407 1 32 TYR H 1 43 SER H 4.300 . 6.000 4.406 4.181 4.703 . 0 0 "[ . 1]" 1
408 1 32 TYR HA 1 32 TYR HB3 2.600 . 6.000 2.529 2.500 2.561 . 0 0 "[ . 1]" 1
409 1 32 TYR HA 1 32 TYR QD 3.200 . 6.000 3.024 2.624 3.189 . 0 0 "[ . 1]" 1
410 1 32 TYR HA 1 32 TYR QE 4.600 . 6.000 4.720 4.542 4.842 . 0 0 "[ . 1]" 1
411 1 32 TYR HA 1 33 TYR H 2.500 . 6.000 2.294 2.258 2.328 . 0 0 "[ . 1]" 1
412 1 32 TYR HA 1 41 TYR HB3 5.100 . 6.000 5.461 4.391 6.017 0.017 5 0 "[ . 1]" 1
413 1 32 TYR HB2 1 40 TYR QD 3.300 . 6.000 5.572 5.108 5.766 . 0 0 "[ . 1]" 1
414 1 32 TYR HB3 1 32 TYR QD 2.500 . 6.000 2.291 2.230 2.364 . 0 0 "[ . 1]" 1
415 1 32 TYR HB3 1 41 TYR HA 4.400 . 6.000 5.916 5.684 6.040 0.040 5 0 "[ . 1]" 1
416 1 32 TYR HB3 1 41 TYR HB2 3.400 . 6.000 5.314 4.403 5.831 . 0 0 "[ . 1]" 1
417 1 32 TYR HB3 1 41 TYR HB3 4.000 . 6.000 3.686 2.884 4.245 . 0 0 "[ . 1]" 1
418 1 32 TYR HB3 1 41 TYR QD 3.400 . 6.000 3.506 3.357 3.651 . 0 0 "[ . 1]" 1
419 1 32 TYR HB3 1 41 TYR QE 4.900 . 6.000 4.669 4.449 5.077 . 0 0 "[ . 1]" 1
420 1 32 TYR QD 1 43 SER HA 5.200 . 6.000 5.261 5.008 5.702 . 0 0 "[ . 1]" 1
421 1 32 TYR QD 1 43 SER QB 3.900 . 6.000 3.651 3.352 4.251 . 0 0 "[ . 1]" 1
422 1 32 TYR QD 2 4 PRO HG2 5.300 . 6.000 5.094 4.923 5.162 . 0 0 "[ . 1]" 1
423 1 32 TYR QD 2 5 PRO HB3 5.600 . 6.000 6.070 6.023 6.116 0.116 4 0 "[ . 1]" 1
424 1 32 TYR QD 2 9 ILE MD 4.600 . 6.000 5.170 5.024 5.292 . 0 0 "[ . 1]" 1
425 1 32 TYR QD 2 9 ILE MG 5.000 . 6.000 5.367 5.266 5.516 . 0 0 "[ . 1]" 1
426 1 32 TYR QE 1 41 TYR QD 3.900 . 6.000 4.012 3.752 4.120 . 0 0 "[ . 1]" 1
427 1 32 TYR QE 1 43 SER HA 5.200 . 6.000 4.476 4.177 5.108 . 0 0 "[ . 1]" 1
428 1 32 TYR QE 1 43 SER QB 3.200 . 6.000 2.249 1.965 3.015 . 0 0 "[ . 1]" 1
429 1 32 TYR QE 2 3 ARG HD3 3.100 . 6.000 3.960 3.043 5.176 . 0 0 "[ . 1]" 1
430 1 32 TYR QE 2 3 ARG HG3 4.300 . 6.000 4.161 4.021 4.477 . 0 0 "[ . 1]" 1
431 1 32 TYR QE 2 4 PRO HB2 4.000 . 6.000 5.323 5.132 5.500 . 0 0 "[ . 1]" 1
432 1 32 TYR QE 2 4 PRO HD2 4.800 . 6.000 5.708 5.527 5.826 . 0 0 "[ . 1]" 1
433 1 32 TYR QE 2 4 PRO HG2 4.500 . 6.000 4.797 4.709 4.924 . 0 0 "[ . 1]" 1
434 1 32 TYR QE 2 5 PRO HB3 4.300 . 6.000 5.050 4.927 5.168 . 0 0 "[ . 1]" 1
435 1 32 TYR QE 2 5 PRO HD3 5.000 . 6.000 6.184 6.026 6.394 0.394 7 0 "[ . 1]" 1
436 1 32 TYR QE 2 6 PRO HG3 3.600 . 6.000 2.577 2.429 2.729 . 0 0 "[ . 1]" 1
437 1 32 TYR QE 2 9 ILE MD 5.000 . 6.000 5.753 5.642 5.935 . 0 0 "[ . 1]" 1
438 1 32 TYR QE 2 9 ILE MG 4.400 . 6.000 5.480 5.382 5.596 . 0 0 "[ . 1]" 1
439 1 33 TYR H 1 33 TYR HA 3.000 . 4.100 2.917 2.891 2.935 . 0 0 "[ . 1]" 1
440 1 33 TYR H 1 33 TYR HB2 3.300 . 6.000 3.421 3.353 3.487 . 0 0 "[ . 1]" 1
441 1 33 TYR H 1 34 ASP H 5.000 . 6.000 4.188 4.153 4.233 . 0 0 "[ . 1]" 1
442 1 33 TYR HA 1 33 TYR HB2 3.000 . 4.100 2.406 2.390 2.429 . 0 0 "[ . 1]" 1
443 1 33 TYR HA 1 33 TYR QD 2.900 . 6.000 2.430 2.229 2.584 . 0 0 "[ . 1]" 1
444 1 33 TYR HA 1 33 TYR QE 4.400 . 6.000 4.571 4.478 4.624 . 0 0 "[ . 1]" 1
445 1 33 TYR HA 1 34 ASP H 2.400 . 6.000 2.139 2.128 2.150 . 0 0 "[ . 1]" 1
446 1 33 TYR HA 1 40 TYR HA 2.500 . 3.300 2.576 2.416 2.742 . 0 0 "[ . 1]" 1
447 1 33 TYR HA 1 40 TYR QD 3.500 . 5.100 3.811 3.496 4.193 . 0 0 "[ . 1]" 1
448 1 33 TYR HA 1 40 TYR QE 4.400 . 6.000 4.657 4.312 4.912 . 0 0 "[ . 1]" 1
449 1 33 TYR HB2 1 33 TYR QD 3.100 . 4.300 2.635 2.555 2.735 . 0 0 "[ . 1]" 1
450 1 33 TYR HB2 1 33 TYR QE 4.500 . 6.000 4.481 4.464 4.507 . 0 0 "[ . 1]" 1
451 1 33 TYR HB2 1 40 TYR HA 3.900 . 5.800 3.942 3.473 4.343 . 0 0 "[ . 1]" 1
452 1 33 TYR HB2 1 40 TYR QD 3.100 . 6.000 2.883 2.546 3.805 . 0 0 "[ . 1]" 1
453 1 33 TYR HB2 1 40 TYR QE 3.300 . 4.700 3.062 2.836 3.311 . 0 0 "[ . 1]" 1
454 1 33 TYR HB3 1 33 TYR QD 2.800 . 3.800 2.295 2.275 2.316 . 0 0 "[ . 1]" 1
455 1 33 TYR HB3 1 40 TYR HA 4.500 . 6.000 5.229 4.877 5.517 . 0 0 "[ . 1]" 1
456 1 33 TYR HB3 1 40 TYR QD 3.900 . 5.800 4.545 4.264 5.297 . 0 0 "[ . 1]" 1
457 1 33 TYR HB3 1 40 TYR QE 3.800 . 5.600 4.400 4.065 4.717 . 0 0 "[ . 1]" 1
458 1 33 TYR QD 1 35 PRO HA 4.100 . 6.000 4.555 4.364 4.757 . 0 0 "[ . 1]" 1
459 1 33 TYR QD 1 35 PRO HB2 5.400 . 6.000 6.077 6.044 6.120 0.120 3 0 "[ . 1]" 1
460 1 33 TYR QD 1 35 PRO HB3 4.600 . 6.000 5.121 4.649 5.360 . 0 0 "[ . 1]" 1
461 1 33 TYR QD 1 35 PRO QG 3.700 . 5.500 3.763 3.312 4.668 . 0 0 "[ . 1]" 1
462 1 33 TYR QD 1 38 GLN HA 4.200 . 6.000 4.512 3.827 4.863 . 0 0 "[ . 1]" 1
463 1 33 TYR QD 1 40 TYR HA 3.400 . 6.000 3.413 2.903 3.913 . 0 0 "[ . 1]" 1
464 1 33 TYR QD 1 40 TYR QD 3.300 . 6.000 3.343 3.062 3.584 . 0 0 "[ . 1]" 1
465 1 33 TYR QD 1 40 TYR QE 3.400 . 4.900 3.237 2.931 3.425 . 0 0 "[ . 1]" 1
466 1 33 TYR QE 1 35 PRO HA 2.400 . 6.000 3.203 2.841 3.449 . 0 0 "[ . 1]" 1
467 1 33 TYR QE 1 35 PRO HB2 3.500 . 5.000 4.702 4.499 4.893 . 0 0 "[ . 1]" 1
468 1 33 TYR QE 1 35 PRO HB3 3.000 . 4.100 3.363 2.864 3.618 . 0 0 "[ . 1]" 1
469 1 33 TYR QE 1 35 PRO HD2 4.300 . 6.000 4.931 4.720 5.171 . 0 0 "[ . 1]" 1
470 1 33 TYR QE 1 38 GLN HA 2.700 . 6.000 3.066 2.586 3.614 . 0 0 "[ . 1]" 1
471 1 33 TYR QE 1 38 GLN HB3 3.800 . 6.000 4.605 3.663 5.303 . 0 0 "[ . 1]" 1
472 1 33 TYR QE 1 38 GLN HG2 2.900 . 6.000 4.440 3.128 5.267 . 0 0 "[ . 1]" 1
473 1 33 TYR QE 1 38 GLN HG3 2.900 . 6.000 5.640 4.753 6.048 0.048 7 0 "[ . 1]" 1
474 1 33 TYR QE 1 40 TYR HA 5.000 . 6.000 5.478 4.992 5.923 . 0 0 "[ . 1]" 1
475 1 33 TYR QE 1 40 TYR QD 3.800 . 6.000 4.344 3.671 4.773 . 0 0 "[ . 1]" 1
476 1 33 TYR QE 1 40 TYR QE 3.200 . 6.000 3.348 3.093 3.615 . 0 0 "[ . 1]" 1
477 1 34 ASP H 1 34 ASP HB2 3.200 . 6.000 3.276 3.187 3.332 . 0 0 "[ . 1]" 1
478 1 34 ASP H 1 34 ASP HB3 2.700 . 6.000 2.609 2.533 2.641 . 0 0 "[ . 1]" 1
479 1 34 ASP H 1 39 TYR H 3.600 . 6.000 3.845 3.554 4.462 . 0 0 "[ . 1]" 1
480 1 34 ASP H 1 40 TYR HA 3.900 . 6.000 3.793 3.652 3.883 . 0 0 "[ . 1]" 1
481 1 34 ASP HA 1 34 ASP HB2 2.600 . 3.400 2.384 2.355 2.403 . 0 0 "[ . 1]" 1
482 1 34 ASP HA 1 34 ASP HB3 3.000 . 4.100 3.015 3.005 3.022 . 0 0 "[ . 1]" 1
483 1 34 ASP HA 1 35 PRO HD2 2.200 . 2.800 2.395 2.097 2.557 . 0 0 "[ . 1]" 1
484 1 34 ASP HA 1 35 PRO HD3 2.500 . 3.300 1.930 1.800 2.172 . 0 0 "[ . 1]" 1
485 1 34 ASP HB2 1 35 PRO HD2 4.800 . 6.000 4.122 3.767 4.309 . 0 0 "[ . 1]" 1
486 1 34 ASP HB2 1 35 PRO HD3 4.700 . 6.000 4.272 4.109 4.530 . 0 0 "[ . 1]" 1
487 1 34 ASP HB3 1 35 PRO HD2 4.600 . 6.000 4.649 4.315 4.801 . 0 0 "[ . 1]" 1
488 1 34 ASP HB3 1 35 PRO HD3 4.800 . 6.000 4.771 4.661 4.966 . 0 0 "[ . 1]" 1
489 1 35 PRO HA 1 35 PRO HB2 2.500 . 3.300 2.890 2.749 2.958 . 0 0 "[ . 1]" 1
490 1 35 PRO HA 1 35 PRO HB3 2.300 . 3.000 2.275 2.259 2.288 . 0 0 "[ . 1]" 1
491 1 35 PRO HA 1 38 GLN HA 3.100 . 4.300 3.379 3.172 3.524 . 0 0 "[ . 1]" 1
492 1 35 PRO HA 1 38 GLN HB3 5.000 . 6.000 5.471 5.174 5.767 . 0 0 "[ . 1]" 1
493 1 35 PRO HA 1 38 GLN HG2 3.600 . 5.300 3.760 2.824 4.498 . 0 0 "[ . 1]" 1
494 1 35 PRO HA 1 38 GLN HG3 3.800 . 5.600 4.550 3.819 5.187 . 0 0 "[ . 1]" 1
495 1 35 PRO HB2 1 35 PRO HD2 2.800 . 3.800 3.222 2.910 3.911 0.111 9 0 "[ . 1]" 1
496 1 35 PRO HB3 1 35 PRO HD2 3.600 . 5.300 3.897 3.866 3.962 . 0 0 "[ . 1]" 1
497 1 35 PRO HD2 1 35 PRO QG 2.300 . 3.000 2.219 2.154 2.249 . 0 0 "[ . 1]" 1
498 1 36 ASN H 1 36 ASN HA 2.700 . 6.000 2.886 2.884 2.890 . 0 0 "[ . 1]" 1
499 1 36 ASN H 1 36 ASN HB2 2.600 . 6.000 2.439 2.274 2.523 . 0 0 "[ . 1]" 1
500 1 36 ASN H 1 36 ASN HB3 2.900 . 6.000 3.613 3.557 3.642 . 0 0 "[ . 1]" 1
501 1 36 ASN H 1 37 SER H 2.900 . 6.000 2.524 2.474 2.565 . 0 0 "[ . 1]" 1
502 1 36 ASN HA 1 36 ASN HB2 2.500 . 3.300 3.019 3.002 3.031 . 0 0 "[ . 1]" 1
503 1 36 ASN HA 1 36 ASN HB3 2.500 . 3.300 2.502 2.452 2.607 . 0 0 "[ . 1]" 1
504 1 36 ASN HB2 1 37 SER HA 4.200 . 6.000 4.502 4.366 4.718 . 0 0 "[ . 1]" 1
505 1 36 ASN HB2 1 37 SER HB2 4.300 . 6.000 4.823 4.422 5.509 . 0 0 "[ . 1]" 1
506 1 36 ASN HB2 1 37 SER HB3 4.500 . 6.000 5.393 4.145 5.774 . 0 0 "[ . 1]" 1
507 1 36 ASN HB2 2 10 ARG HD3 3.700 . 6.000 5.577 5.053 6.033 0.033 10 0 "[ . 1]" 1
508 1 36 ASN HB3 1 37 SER HA 4.000 . 6.000 4.407 4.213 4.555 . 0 0 "[ . 1]" 1
509 1 36 ASN HB3 2 10 ARG HD3 3.000 . 6.000 5.516 5.186 6.040 0.040 3 0 "[ . 1]" 1
510 1 37 SER H 1 37 SER HA 2.900 . 3.900 2.912 2.884 2.927 . 0 0 "[ . 1]" 1
511 1 37 SER H 1 37 SER HB3 3.000 . 4.100 3.574 2.961 3.673 . 0 0 "[ . 1]" 1
512 1 37 SER H 1 38 GLN H 2.200 . 2.800 2.225 2.127 2.341 . 0 0 "[ . 1]" 1
513 1 37 SER HA 1 37 SER HB3 2.300 . 2.900 2.407 2.371 2.513 . 0 0 "[ . 1]" 1
514 1 37 SER HA 1 39 TYR QD 3.400 . 6.000 4.131 3.980 4.307 . 0 0 "[ . 1]" 1
515 1 37 SER HA 2 7 PRO HB2 5.200 . 6.000 5.999 5.738 6.128 0.128 5 0 "[ . 1]" 1
516 1 37 SER HB2 1 39 TYR QD 3.700 . 6.000 2.569 1.751 3.012 . 0 0 "[ . 1]" 1
517 1 37 SER HB2 1 39 TYR QE 3.600 . 6.000 2.814 2.490 3.156 . 0 0 "[ . 1]" 1
518 1 37 SER HB2 2 7 PRO HB2 3.900 . 5.800 3.173 2.951 3.961 . 0 0 "[ . 1]" 1
519 1 37 SER HB2 2 7 PRO HG3 4.400 . 6.000 5.440 5.097 6.085 0.085 8 0 "[ . 1]" 1
520 1 37 SER HB3 1 39 TYR QD 2.900 . 6.000 2.400 2.045 3.428 . 0 0 "[ . 1]" 1
521 1 37 SER HB3 1 39 TYR QE 3.300 . 6.000 2.483 2.027 2.978 . 0 0 "[ . 1]" 1
522 1 38 GLN H 1 38 GLN HA 2.300 . 3.000 2.246 2.233 2.258 . 0 0 "[ . 1]" 1
523 1 38 GLN H 1 38 GLN HG3 3.100 . 6.000 3.074 2.878 3.233 . 0 0 "[ . 1]" 1
524 1 38 GLN H 1 39 TYR H 2.400 . 3.100 2.824 2.744 3.041 . 0 0 "[ . 1]" 1
525 1 38 GLN HA 1 38 GLN HB3 2.300 . 3.000 2.521 2.459 2.574 . 0 0 "[ . 1]" 1
526 1 38 GLN HA 1 38 GLN HG2 2.600 . 3.500 2.425 2.223 2.621 . 0 0 "[ . 1]" 1
527 1 38 GLN HA 1 38 GLN HG3 2.900 . 3.900 3.051 2.849 3.153 . 0 0 "[ . 1]" 1
528 1 38 GLN HA 1 39 TYR H 2.900 . 3.900 3.129 2.902 3.475 . 0 0 "[ . 1]" 1
529 1 39 TYR H 1 39 TYR HB3 3.200 . 4.500 3.002 2.789 3.209 . 0 0 "[ . 1]" 1
530 1 39 TYR H 1 40 TYR H 4.300 . 6.000 4.459 4.407 4.518 . 0 0 "[ . 1]" 1
531 1 39 TYR HA 1 39 TYR HB2 2.900 . 3.900 2.388 2.370 2.416 . 0 0 "[ . 1]" 1
532 1 39 TYR HA 1 39 TYR HB3 2.700 . 6.000 2.488 2.452 2.523 . 0 0 "[ . 1]" 1
533 1 39 TYR HA 1 39 TYR QD 3.200 . 6.000 3.771 3.750 3.786 . 0 0 "[ . 1]" 1
534 1 39 TYR HA 1 39 TYR QE 4.300 . 6.000 5.711 5.682 5.750 . 0 0 "[ . 1]" 1
535 1 39 TYR HA 1 40 TYR H 2.800 . 6.000 2.248 2.139 2.385 . 0 0 "[ . 1]" 1
536 1 39 TYR HA 1 50 TYR HA 3.400 . 6.000 3.087 2.724 3.337 . 0 0 "[ . 1]" 1
537 1 39 TYR HA 1 50 TYR QD 4.000 . 6.000 4.131 3.044 5.078 . 0 0 "[ . 1]" 1
538 1 39 TYR HB2 1 39 TYR QD 2.700 . 3.600 2.375 2.337 2.408 . 0 0 "[ . 1]" 1
539 1 39 TYR HB2 1 39 TYR QE 4.600 . 6.000 4.398 4.360 4.425 . 0 0 "[ . 1]" 1
540 1 39 TYR HB2 1 48 TYR HA 5.100 . 6.000 5.585 5.069 5.794 . 0 0 "[ . 1]" 1
541 1 39 TYR HB2 1 48 TYR HB3 3.700 . 5.400 4.545 3.827 5.018 . 0 0 "[ . 1]" 1
542 1 39 TYR HB2 1 48 TYR QE 3.700 . 6.000 6.240 6.143 6.342 0.342 9 0 "[ . 1]" 1
543 1 39 TYR QE 2 4 PRO HB2 4.900 . 6.000 5.105 4.972 5.292 . 0 0 "[ . 1]" 1
544 1 39 TYR QE 2 4 PRO HG2 4.800 . 6.000 6.213 6.151 6.257 0.257 7 0 "[ . 1]" 1
545 1 39 TYR QE 2 4 PRO HG3 4.800 . 6.000 6.151 6.032 6.267 0.267 5 0 "[ . 1]" 1
546 1 39 TYR QE 2 6 PRO HA 3.600 . 6.000 5.235 5.028 5.603 . 0 0 "[ . 1]" 1
547 1 39 TYR QE 2 7 PRO HB2 4.200 . 6.000 3.668 3.278 4.113 . 0 0 "[ . 1]" 1
548 1 39 TYR QE 2 7 PRO HB3 3.800 . 6.000 2.668 2.382 2.920 . 0 0 "[ . 1]" 1
549 1 39 TYR QE 2 7 PRO HD2 6.000 . 6.000 5.061 4.853 5.406 . 0 0 "[ . 1]" 1
550 1 39 TYR QE 2 7 PRO HG3 3.600 . 6.000 3.564 2.463 4.383 . 0 0 "[ . 1]" 1
551 1 39 TYR QE 2 9 ILE MD 5.200 . 6.000 3.871 3.741 3.974 . 0 0 "[ . 1]" 1
552 1 39 TYR QE 2 10 ARG HD3 3.500 . 6.000 5.528 5.182 6.037 0.037 1 0 "[ . 1]" 1
553 1 39 TYR QE 2 10 ARG HG3 3.900 . 6.000 5.744 5.504 6.013 0.013 1 0 "[ . 1]" 1
554 1 40 TYR H 1 40 TYR HA 2.700 . 6.000 2.936 2.917 2.948 . 0 0 "[ . 1]" 1
555 1 40 TYR H 1 40 TYR HB3 4.100 . 6.000 3.643 3.339 3.734 . 0 0 "[ . 1]" 1
556 1 40 TYR HA 1 40 TYR HB2 3.000 . 4.100 3.019 2.922 3.036 . 0 0 "[ . 1]" 1
557 1 40 TYR HA 1 40 TYR QD 3.100 . 4.300 3.147 3.000 3.226 . 0 0 "[ . 1]" 1
558 1 40 TYR HA 1 40 TYR QE 4.600 . 6.000 4.732 4.497 4.822 . 0 0 "[ . 1]" 1
559 1 40 TYR HA 1 49 LEU HB2 5.500 . 6.000 4.796 4.391 5.162 . 0 0 "[ . 1]" 1
560 1 40 TYR HA 1 49 LEU HB3 4.200 . 6.000 6.046 5.869 6.153 0.153 9 0 "[ . 1]" 1
561 1 40 TYR HB2 1 40 TYR QD 2.800 . 3.800 2.496 2.390 2.568 . 0 0 "[ . 1]" 1
562 1 40 TYR QD 1 50 TYR HA 2.900 . 6.000 2.328 1.740 3.554 . 0 0 "[ . 1]" 1
563 1 40 TYR QD 1 50 TYR HB3 4.000 . 6.000 4.853 3.526 6.268 0.268 2 0 "[ . 1]" 1
564 1 40 TYR QD 1 58 TYR QD 3.600 . 5.200 3.953 3.465 4.510 . 0 0 "[ . 1]" 1
565 1 40 TYR QD 1 58 TYR QE 3.300 . 4.600 3.831 3.112 4.529 . 0 0 "[ . 1]" 1
566 1 40 TYR QE 1 50 TYR HA 4.500 . 6.000 4.267 3.676 5.718 . 0 0 "[ . 1]" 1
567 1 40 TYR QE 1 51 TRP HB2 3.100 . 4.300 2.954 2.321 3.461 . 0 0 "[ . 1]" 1
568 1 40 TYR QE 1 51 TRP HB3 3.200 . 4.500 2.672 2.235 3.410 . 0 0 "[ . 1]" 1
569 1 40 TYR QE 1 58 TYR QD 4.600 . 6.000 4.704 3.958 5.240 . 0 0 "[ . 1]" 1
570 1 40 TYR QE 1 58 TYR QE 3.400 . 4.800 3.667 2.749 4.416 . 0 0 "[ . 1]" 1
571 1 41 TYR H 1 41 TYR HA 3.000 . 4.100 2.853 2.844 2.868 . 0 0 "[ . 1]" 1
572 1 41 TYR H 1 41 TYR HB2 2.700 . 6.000 3.878 3.607 3.984 . 0 0 "[ . 1]" 1
573 1 41 TYR H 1 41 TYR HB3 3.600 . 5.200 2.944 2.798 3.031 . 0 0 "[ . 1]" 1
574 1 41 TYR HA 1 41 TYR HB2 2.900 . 4.000 2.239 2.214 2.318 . 0 0 "[ . 1]" 1
575 1 41 TYR HA 1 41 TYR HB3 2.700 . 3.600 2.860 2.783 2.991 . 0 0 "[ . 1]" 1
576 1 41 TYR HA 1 41 TYR QD 2.700 . 3.600 3.021 2.740 3.208 . 0 0 "[ . 1]" 1
577 1 41 TYR HA 1 41 TYR QE 4.200 . 6.000 5.212 4.902 5.357 . 0 0 "[ . 1]" 1
578 1 41 TYR HA 1 42 ASN H 2.200 . 2.800 2.163 2.115 2.225 . 0 0 "[ . 1]" 1
579 1 41 TYR HA 1 48 TYR HA 2.500 . 3.300 2.384 1.871 2.577 . 0 0 "[ . 1]" 1
580 1 41 TYR HA 1 48 TYR QD 4.200 . 6.000 3.809 3.059 4.111 . 0 0 "[ . 1]" 1
581 1 41 TYR HA 1 48 TYR QE 4.900 . 6.000 5.496 4.972 5.770 . 0 0 "[ . 1]" 1
582 1 41 TYR HA 1 49 LEU QD 4.000 . 6.000 3.058 2.285 3.943 . 0 0 "[ . 1]" 1
583 1 41 TYR HA 1 49 LEU HG 4.300 . 6.000 3.395 2.666 4.452 . 0 0 "[ . 1]" 1
584 1 41 TYR HB2 1 41 TYR QD 2.600 . 3.500 2.729 2.618 2.769 . 0 0 "[ . 1]" 1
585 1 41 TYR HB2 1 41 TYR QE 4.300 . 6.000 4.480 4.432 4.509 . 0 0 "[ . 1]" 1
586 1 41 TYR HB2 1 48 TYR QD 3.800 . 5.600 1.969 1.894 2.191 0.106 8 0 "[ . 1]" 1
587 1 41 TYR HB2 1 48 TYR QE 3.400 . 4.800 3.495 3.118 3.772 . 0 0 "[ . 1]" 1
588 1 41 TYR HB3 1 41 TYR QD 2.800 . 3.800 2.374 2.296 2.641 . 0 0 "[ . 1]" 1
589 1 41 TYR HB3 1 48 TYR QD 3.100 . 6.000 3.235 2.897 3.754 . 0 0 "[ . 1]" 1
590 1 41 TYR HB3 1 48 TYR QE 3.500 . 5.000 3.743 3.579 4.185 . 0 0 "[ . 1]" 1
591 1 41 TYR QD 1 43 SER HA 3.500 . 5.000 3.379 3.244 3.613 . 0 0 "[ . 1]" 1
592 1 41 TYR QD 1 43 SER QB 4.400 . 6.000 3.773 3.658 3.924 . 0 0 "[ . 1]" 1
593 1 41 TYR QD 1 46 GLN HA 4.500 . 6.000 4.168 3.818 4.415 . 0 0 "[ . 1]" 1
594 1 41 TYR QD 1 46 GLN HG3 5.900 . 6.000 6.237 5.955 6.763 0.763 9 2 "[ . -+1]" 1
595 1 41 TYR QD 1 47 GLN HA 4.300 . 6.000 4.815 4.620 5.310 . 0 0 "[ . 1]" 1
596 1 41 TYR QD 1 48 TYR HA 3.200 . 4.500 3.559 3.421 3.665 . 0 0 "[ . 1]" 1
597 1 41 TYR QD 1 48 TYR QE 3.000 . 6.000 2.287 2.117 2.433 . 0 0 "[ . 1]" 1
598 1 41 TYR QD 2 4 PRO HB2 4.500 . 6.000 3.285 3.127 3.420 . 0 0 "[ . 1]" 1
599 1 41 TYR QD 2 4 PRO HD2 4.400 . 6.000 4.579 4.258 4.846 . 0 0 "[ . 1]" 1
600 1 41 TYR QD 2 4 PRO HG2 4.300 . 6.000 3.191 3.083 3.284 . 0 0 "[ . 1]" 1
601 1 41 TYR QD 2 5 PRO HD3 5.100 . 6.000 5.739 5.516 5.916 . 0 0 "[ . 1]" 1
602 1 41 TYR QD 2 5 PRO HG2 4.000 . 6.000 4.883 4.823 4.934 . 0 0 "[ . 1]" 1
603 1 41 TYR QD 2 7 PRO HB3 5.500 . 6.000 5.128 4.857 5.500 . 0 0 "[ . 1]" 1
604 1 41 TYR QD 2 7 PRO HD2 4.800 . 6.000 4.303 4.099 4.618 . 0 0 "[ . 1]" 1
605 1 41 TYR QD 2 9 ILE MD 4.500 . 6.000 4.844 4.712 4.959 . 0 0 "[ . 1]" 1
606 1 41 TYR QE 1 43 SER HA 2.300 . 2.900 1.648 1.596 1.752 0.104 2 0 "[ . 1]" 1
607 1 41 TYR QE 1 43 SER QB 2.900 . 3.900 1.996 1.870 2.129 0.130 3 0 "[ . 1]" 1
608 1 41 TYR QE 1 46 GLN HA 2.900 . 4.000 2.823 2.471 3.067 . 0 0 "[ . 1]" 1
609 1 41 TYR QE 1 46 GLN HB2 4.100 . 6.000 5.337 5.166 5.515 . 0 0 "[ . 1]" 1
610 1 41 TYR QE 1 46 GLN HB3 4.900 . 6.000 5.505 4.536 6.017 0.017 3 0 "[ . 1]" 1
611 1 41 TYR QE 1 46 GLN HG2 4.300 . 6.000 5.047 4.147 5.400 . 0 0 "[ . 1]" 1
612 1 41 TYR QE 1 46 GLN HG3 4.300 . 6.000 4.599 3.975 5.131 . 0 0 "[ . 1]" 1
613 1 41 TYR QE 1 47 GLN HA 3.800 . 5.600 5.528 5.192 5.686 0.086 7 0 "[ . 1]" 1
614 1 41 TYR QE 1 48 TYR HA 4.500 . 6.000 5.332 5.201 5.421 . 0 0 "[ . 1]" 1
615 1 41 TYR QE 1 48 TYR QE 3.300 . 6.000 3.050 2.831 3.204 . 0 0 "[ . 1]" 1
616 1 41 TYR QE 2 2 MET HG3 4.600 . 6.000 6.152 6.059 6.289 0.289 7 0 "[ . 1]" 1
617 1 41 TYR QE 2 3 ARG HB2 4.100 . 6.000 3.131 2.867 3.325 . 0 0 "[ . 1]" 1
618 1 41 TYR QE 2 3 ARG HD3 4.200 . 6.000 4.373 3.382 5.240 . 0 0 "[ . 1]" 1
619 1 41 TYR QE 2 3 ARG HG3 4.500 . 6.000 3.795 3.649 3.936 . 0 0 "[ . 1]" 1
620 1 41 TYR QE 2 4 PRO HB2 3.300 . 4.700 2.848 2.468 3.065 . 0 0 "[ . 1]" 1
621 1 41 TYR QE 2 4 PRO HB3 4.500 . 6.000 4.311 3.950 4.489 . 0 0 "[ . 1]" 1
622 1 41 TYR QE 2 4 PRO HD2 2.500 . 3.300 3.064 2.827 3.219 . 0 0 "[ . 1]" 1
623 1 41 TYR QE 2 4 PRO HG2 4.300 . 6.000 2.455 2.266 2.517 . 0 0 "[ . 1]" 1
624 1 41 TYR QE 2 4 PRO HG3 3.400 . 4.900 3.567 3.488 3.650 . 0 0 "[ . 1]" 1
625 1 41 TYR QE 2 5 PRO HA 4.000 . 6.000 3.156 3.056 3.317 . 0 0 "[ . 1]" 1
626 1 41 TYR QE 2 5 PRO HB2 3.900 . 5.800 4.940 4.830 5.039 . 0 0 "[ . 1]" 1
627 1 41 TYR QE 2 5 PRO HD2 3.900 . 6.000 3.897 3.648 4.035 . 0 0 "[ . 1]" 1
628 1 41 TYR QE 2 5 PRO HD3 4.200 . 6.000 4.714 4.384 4.914 . 0 0 "[ . 1]" 1
629 1 41 TYR QE 2 5 PRO HG2 3.900 . 5.800 4.654 4.526 4.822 . 0 0 "[ . 1]" 1
630 1 41 TYR QE 2 6 PRO HA 3.800 . 6.000 3.675 3.410 4.155 . 0 0 "[ . 1]" 1
631 1 41 TYR QE 2 7 PRO HA 4.600 . 6.000 6.112 6.037 6.194 0.194 10 0 "[ . 1]" 1
632 1 41 TYR QE 2 7 PRO HD2 4.600 . 6.000 5.631 5.201 6.221 0.221 10 0 "[ . 1]" 1
633 1 41 TYR QE 2 9 ILE MD 4.100 . 6.000 5.175 5.086 5.210 . 0 0 "[ . 1]" 1
634 1 41 TYR QE 2 9 ILE MG 4.000 . 6.000 5.672 5.576 5.762 . 0 0 "[ . 1]" 1
635 1 42 ASN H 1 42 ASN QB 2.800 . 4.300 2.395 2.321 2.458 . 0 0 "[ . 1]" 1
636 1 42 ASN H 1 43 SER H 4.200 . 6.000 4.336 4.198 4.400 . 0 0 "[ . 1]" 1
637 1 42 ASN H 1 47 GLN H 3.000 . 4.100 3.480 3.370 3.593 . 0 0 "[ . 1]" 1
638 1 42 ASN HA 1 42 ASN QB 2.800 . 3.100 2.373 2.322 2.406 . 0 0 "[ . 1]" 1
639 1 42 ASN HA 1 43 SER HA 4.600 . 6.000 4.361 4.335 4.401 . 0 0 "[ . 1]" 1
640 1 42 ASN HA 1 43 SER QB 5.300 . 6.000 4.361 4.072 4.576 . 0 0 "[ . 1]" 1
641 1 42 ASN HA 1 45 THR MG 5.100 . 6.000 5.877 5.565 6.057 0.057 2 0 "[ . 1]" 1
642 1 42 ASN HA 1 47 GLN QB 4.200 . 6.000 5.761 5.605 5.827 . 0 0 "[ . 1]" 1
643 1 42 ASN QB 1 45 THR MG 3.700 . 5.500 3.709 3.359 4.095 . 0 0 "[ . 1]" 1
644 1 42 ASN QB 1 47 GLN QB 2.900 . 4.000 3.445 3.184 3.595 . 0 0 "[ . 1]" 1
645 1 42 ASN QB 1 49 LEU HG 4.300 . 6.000 3.632 2.972 4.643 . 0 0 "[ . 1]" 1
646 1 43 SER H 1 43 SER HA 2.700 . 3.600 2.893 2.869 2.911 . 0 0 "[ . 1]" 1
647 1 43 SER H 1 43 SER QB 2.600 . 3.400 2.622 2.278 2.890 . 0 0 "[ . 1]" 1
648 1 43 SER H 1 45 THR H 4.100 . 6.000 4.243 3.989 4.474 . 0 0 "[ . 1]" 1
649 1 43 SER HA 1 43 SER QB 2.300 . 3.000 2.228 2.169 2.323 . 0 0 "[ . 1]" 1
650 1 43 SER HA 1 46 GLN HA 2.800 . 3.700 2.240 1.898 2.604 0.002 10 0 "[ . 1]" 1
651 1 43 SER HA 2 3 ARG HA 5.000 . 6.000 5.077 4.392 5.564 . 0 0 "[ . 1]" 1
652 1 43 SER HA 2 3 ARG HG3 5.300 . 6.000 5.616 5.235 6.021 0.021 5 0 "[ . 1]" 1
653 1 43 SER QB 1 44 LEU MD2 3.900 . 6.000 5.215 4.222 6.202 0.202 2 0 "[ . 1]" 1
654 1 43 SER QB 1 46 GLN HA 4.800 . 6.000 3.868 3.580 4.184 . 0 0 "[ . 1]" 1
655 1 43 SER QB 2 3 ARG HD3 4.600 . 6.000 2.841 1.892 4.092 0.108 8 0 "[ . 1]" 1
656 1 43 SER QB 2 3 ARG HG3 4.600 . 6.000 4.001 3.525 4.483 . 0 0 "[ . 1]" 1
657 1 43 SER QB 2 4 PRO HB2 4.700 . 6.000 5.977 5.906 6.049 0.049 6 0 "[ . 1]" 1
658 1 43 SER QB 2 4 PRO HG2 5.000 . 6.000 4.079 3.948 4.136 . 0 0 "[ . 1]" 1
659 1 44 LEU H 1 45 THR H 2.200 . 2.800 2.415 2.260 2.534 . 0 0 "[ . 1]" 1
660 1 44 LEU H 1 46 GLN H 3.200 . 4.500 3.351 3.258 3.452 . 0 0 "[ . 1]" 1
661 1 44 LEU HA 1 44 LEU HB2 2.600 . 3.500 3.015 2.995 3.027 . 0 0 "[ . 1]" 1
662 1 44 LEU HA 1 44 LEU HB3 2.500 . 3.300 2.532 2.470 2.625 . 0 0 "[ . 1]" 1
663 1 44 LEU HA 1 44 LEU MD1 3.000 . 6.000 3.303 2.580 3.885 . 0 0 "[ . 1]" 1
664 1 44 LEU HA 1 44 LEU MD2 2.500 . 3.300 2.885 1.946 3.797 0.497 2 0 "[ . 1]" 1
665 1 44 LEU HA 1 44 LEU HG 2.400 . 3.100 2.798 2.446 3.133 0.033 8 0 "[ . 1]" 1
666 1 44 LEU HB2 1 44 LEU MD2 2.900 . 3.900 2.812 2.373 3.204 . 0 0 "[ . 1]" 1
667 1 44 LEU HB3 1 44 LEU MD1 2.700 . 3.600 2.784 2.343 3.206 . 0 0 "[ . 1]" 1
668 1 44 LEU HB3 1 44 LEU MD2 2.700 . 6.000 2.332 2.248 2.414 . 0 0 "[ . 1]" 1
669 1 44 LEU HB3 1 44 LEU HG 2.400 . 3.100 2.761 2.480 3.019 . 0 0 "[ . 1]" 1
670 1 44 LEU MD2 1 44 LEU HG 2.300 . 3.000 2.126 2.122 2.129 . 0 0 "[ . 1]" 1
671 1 45 THR H 1 45 THR MG 3.100 . 4.300 2.749 2.637 2.849 . 0 0 "[ . 1]" 1
672 1 45 THR H 1 46 GLN H 2.100 . 2.600 2.094 1.957 2.209 . 0 0 "[ . 1]" 1
673 1 45 THR HA 1 45 THR MG 2.300 . 3.000 2.307 2.275 2.329 . 0 0 "[ . 1]" 1
674 1 45 THR HA 1 47 GLN QB 4.000 . 6.000 5.253 5.071 5.507 . 0 0 "[ . 1]" 1
675 1 45 THR HB 1 45 THR MG 2.100 . 2.600 2.135 2.133 2.138 . 0 0 "[ . 1]" 1
676 1 45 THR HB 1 47 GLN QB 4.800 . 5.600 3.452 3.187 3.821 . 0 0 "[ . 1]" 1
677 1 45 THR HB 1 47 GLN HG3 2.600 . 3.400 2.828 2.510 3.166 . 0 0 "[ . 1]" 1
678 1 45 THR MG 1 47 GLN QB 2.900 . 6.000 4.204 4.043 4.538 . 0 0 "[ . 1]" 1
679 1 45 THR MG 1 47 GLN HG3 3.700 . 5.400 4.277 4.011 4.629 . 0 0 "[ . 1]" 1
680 1 46 GLN H 1 46 GLN HA 2.200 . 2.800 2.260 2.254 2.273 . 0 0 "[ . 1]" 1
681 1 46 GLN H 1 46 GLN HG2 3.600 . 5.200 4.574 3.487 4.895 . 0 0 "[ . 1]" 1
682 1 46 GLN H 1 47 GLN H 2.400 . 3.200 2.688 2.547 2.829 . 0 0 "[ . 1]" 1
683 1 46 GLN HA 1 46 GLN HB2 2.600 . 3.500 2.678 2.485 3.024 . 0 0 "[ . 1]" 1
684 1 46 GLN HA 1 46 GLN HB3 2.800 . 3.800 2.858 2.472 3.031 . 0 0 "[ . 1]" 1
685 1 46 GLN HA 1 46 GLN HG2 2.600 . 3.400 2.970 2.542 3.504 0.104 10 0 "[ . 1]" 1
686 1 46 GLN HA 1 46 GLN HG3 2.200 . 2.800 2.608 2.311 3.110 0.310 8 0 "[ . 1]" 1
687 1 47 GLN H 1 47 GLN QB 3.400 . 3.800 2.557 2.462 2.662 . 0 0 "[ . 1]" 1
688 1 47 GLN H 1 47 GLN HG3 3.100 . 4.300 3.577 2.944 4.293 . 0 0 "[ . 1]" 1
689 1 47 GLN H 1 48 TYR H 3.900 . 5.800 4.353 4.264 4.406 . 0 0 "[ . 1]" 1
690 1 47 GLN HA 1 47 GLN QB 2.400 . 3.100 2.393 2.362 2.413 . 0 0 "[ . 1]" 1
691 1 47 GLN HA 1 47 GLN HG3 2.600 . 3.500 3.336 2.991 3.761 0.261 1 0 "[ . 1]" 1
692 1 47 GLN QB 1 47 GLN HG3 2.400 . 3.100 2.259 2.152 2.365 . 0 0 "[ . 1]" 1
693 1 47 GLN QB 1 49 LEU QD 3.000 . 4.500 2.491 2.068 2.903 . 0 0 "[ . 1]" 1
694 1 47 GLN HG3 1 49 LEU QD 3.400 . 6.000 4.271 3.602 4.860 . 0 0 "[ . 1]" 1
695 1 48 TYR H 1 49 LEU H 4.100 . 6.000 4.555 4.509 4.610 . 0 0 "[ . 1]" 1
696 1 48 TYR HA 1 48 TYR HB3 2.600 . 3.400 2.694 2.613 2.773 . 0 0 "[ . 1]" 1
697 1 48 TYR HA 1 48 TYR QD 2.800 . 3.800 2.110 1.948 2.252 . 0 0 "[ . 1]" 1
698 1 48 TYR HA 1 48 TYR QE 4.700 . 6.000 4.258 4.113 4.345 . 0 0 "[ . 1]" 1
699 1 48 TYR HA 1 49 LEU H 2.500 . 3.300 2.215 2.165 2.277 . 0 0 "[ . 1]" 1
700 1 48 TYR HA 1 49 LEU QD 3.600 . 6.000 3.936 3.072 4.437 . 0 0 "[ . 1]" 1
701 1 48 TYR HA 1 49 LEU HG 3.700 . 5.500 4.120 3.626 4.830 . 0 0 "[ . 1]" 1
702 1 48 TYR HA 1 61 ALA MB 3.900 . 6.000 4.899 4.442 5.945 . 0 0 "[ . 1]" 1
703 1 48 TYR HA 2 4 PRO HB3 5.400 . 6.000 5.960 5.870 6.036 0.036 2 0 "[ . 1]" 1
704 1 48 TYR HB3 1 48 TYR QD 2.400 . 6.000 2.458 2.353 2.573 . 0 0 "[ . 1]" 1
705 1 48 TYR HB3 1 49 LEU HB2 4.300 . 6.000 5.737 5.493 5.960 . 0 0 "[ . 1]" 1
706 1 48 TYR HB3 1 49 LEU QD 3.800 . 6.000 4.962 4.689 5.339 . 0 0 "[ . 1]" 1
707 1 48 TYR HB3 1 49 LEU HG 4.200 . 6.000 5.529 5.180 5.748 . 0 0 "[ . 1]" 1
708 1 48 TYR HB3 1 61 ALA MB 2.700 . 6.000 2.928 2.332 4.068 . 0 0 "[ . 1]" 1
709 1 48 TYR QD 1 61 ALA MB 2.300 . 6.000 3.889 3.310 4.850 . 0 0 "[ . 1]" 1
710 1 48 TYR QD 2 5 PRO HD3 5.300 . 6.000 6.203 6.126 6.259 0.259 7 0 "[ . 1]" 1
711 1 48 TYR QD 2 6 PRO HA 3.600 . 6.000 6.279 6.200 6.364 0.364 8 0 "[ . 1]" 1
712 1 48 TYR QD 2 7 PRO HB3 4.900 . 6.000 5.491 5.170 5.980 . 0 0 "[ . 1]" 1
713 1 48 TYR QE 2 3 ARG HB2 5.000 . 6.000 6.061 5.874 6.164 0.164 10 0 "[ . 1]" 1
714 1 48 TYR QE 2 3 ARG HG3 4.300 . 6.000 6.205 6.139 6.262 0.262 2 0 "[ . 1]" 1
715 1 48 TYR QE 2 4 PRO HB2 2.900 . 6.000 1.529 1.427 1.677 . 0 0 "[ . 1]" 1
716 1 48 TYR QE 2 4 PRO HB3 5.200 . 6.000 2.861 2.688 3.138 . 0 0 "[ . 1]" 1
717 1 48 TYR QE 2 4 PRO HG2 3.600 . 6.000 2.782 2.628 2.964 . 0 0 "[ . 1]" 1
718 1 48 TYR QE 2 5 PRO HA 4.300 . 6.000 5.137 5.053 5.214 . 0 0 "[ . 1]" 1
719 1 48 TYR QE 2 5 PRO HB2 4.200 . 6.000 5.662 5.548 5.750 . 0 0 "[ . 1]" 1
720 1 48 TYR QE 2 5 PRO HD3 5.300 . 6.000 4.272 4.159 4.433 . 0 0 "[ . 1]" 1
721 1 48 TYR QE 2 5 PRO HG2 4.200 . 6.000 4.064 3.878 4.290 . 0 0 "[ . 1]" 1
722 1 48 TYR QE 2 6 PRO HA 3.900 . 6.000 4.854 4.709 4.973 . 0 0 "[ . 1]" 1
723 1 48 TYR QE 2 7 PRO HB3 3.800 . 5.600 5.033 4.770 5.236 . 0 0 "[ . 1]" 1
724 1 48 TYR QE 2 7 PRO HD2 5.200 . 6.000 6.007 5.805 6.134 0.134 9 0 "[ . 1]" 1
725 1 48 TYR QE 2 9 ILE MD 5.200 . 6.000 3.508 3.268 3.814 . 0 0 "[ . 1]" 1
726 1 48 TYR QE 2 9 ILE MG 5.000 . 6.000 5.458 5.370 5.579 . 0 0 "[ . 1]" 1
727 1 49 LEU H 1 49 LEU QD 4.200 . 6.000 3.370 2.880 3.633 . 0 0 "[ . 1]" 1
728 1 49 LEU H 1 49 LEU HG 3.100 . 4.300 3.359 2.904 3.951 . 0 0 "[ . 1]" 1
729 1 49 LEU HA 1 49 LEU HB2 2.600 . 3.500 3.014 3.005 3.027 . 0 0 "[ . 1]" 1
730 1 49 LEU HA 1 49 LEU HB3 2.700 . 3.600 2.527 2.465 2.597 . 0 0 "[ . 1]" 1
731 1 49 LEU HA 1 49 LEU QD 2.900 . 3.900 2.308 1.875 3.031 0.025 10 0 "[ . 1]" 1
732 1 49 LEU HA 1 49 LEU HG 3.100 . 4.300 2.818 2.286 3.193 . 0 0 "[ . 1]" 1
733 1 49 LEU HA 1 50 TYR QD 4.300 . 6.000 4.789 3.555 5.731 . 0 0 "[ . 1]" 1
734 1 49 LEU HA 1 58 TYR HB3 5.100 . 6.000 4.509 4.117 5.000 . 0 0 "[ . 1]" 1
735 1 49 LEU HA 1 60 PRO HA 2.300 . 3.000 1.987 1.533 2.341 0.067 4 0 "[ . 1]" 1
736 1 49 LEU HA 1 60 PRO HB2 5.400 . 6.000 4.830 4.238 5.181 . 0 0 "[ . 1]" 1
737 1 49 LEU HA 1 60 PRO HB3 4.100 . 6.000 4.115 3.588 4.421 . 0 0 "[ . 1]" 1
738 1 49 LEU HA 1 60 PRO HD2 3.500 . 5.000 5.401 5.161 5.630 0.630 3 4 "[*-+ . *]" 1
739 1 49 LEU HA 1 60 PRO HD3 5.400 . 6.000 4.806 4.606 5.017 . 0 0 "[ . 1]" 1
740 1 49 LEU HA 1 60 PRO HG2 5.400 . 6.000 5.745 5.331 6.016 0.016 2 0 "[ . 1]" 1
741 1 49 LEU HA 1 60 PRO HG3 5.500 . 6.000 5.060 4.289 6.056 0.056 10 0 "[ . 1]" 1
742 1 49 LEU HA 1 61 ALA MB 3.600 . 6.000 3.668 3.466 4.020 . 0 0 "[ . 1]" 1
743 1 49 LEU HB2 1 49 LEU QD 2.500 . 3.300 2.209 2.076 2.316 . 0 0 "[ . 1]" 1
744 1 49 LEU HB2 1 58 TYR HA 3.900 . 5.800 5.223 4.781 5.679 . 0 0 "[ . 1]" 1
745 1 49 LEU HB2 1 58 TYR HB3 2.800 . 3.800 3.226 2.870 3.634 . 0 0 "[ . 1]" 1
746 1 49 LEU HB2 1 58 TYR QD 3.600 . 5.300 4.238 3.793 5.019 . 0 0 "[ . 1]" 1
747 1 49 LEU HB2 1 60 PRO HA 4.500 . 6.000 4.725 4.013 5.301 . 0 0 "[ . 1]" 1
748 1 49 LEU HB3 1 49 LEU QD 2.300 . 6.000 2.125 2.102 2.157 . 0 0 "[ . 1]" 1
749 1 49 LEU HB3 1 58 TYR HA 5.600 . 6.000 3.734 3.487 4.146 . 0 0 "[ . 1]" 1
750 1 49 LEU HB3 1 58 TYR HB3 3.500 . 5.100 2.157 1.814 2.548 0.086 10 0 "[ . 1]" 1
751 1 49 LEU HB3 1 58 TYR QD 3.900 . 5.800 3.550 3.188 4.136 . 0 0 "[ . 1]" 1
752 1 49 LEU HB3 1 60 PRO HA 4.200 . 6.000 4.070 3.437 4.470 . 0 0 "[ . 1]" 1
753 1 49 LEU QD 1 49 LEU HG 2.200 . 2.800 1.886 1.881 1.888 . 0 0 "[ . 1]" 1
754 1 49 LEU QD 1 58 TYR HB3 2.700 . 3.600 1.838 1.726 1.932 0.174 3 0 "[ . 1]" 1
755 1 49 LEU QD 1 58 TYR QD 4.300 . 5.800 3.248 2.930 3.570 . 0 0 "[ . 1]" 1
756 1 49 LEU QD 1 60 PRO HA 3.500 . 3.800 2.358 1.879 3.039 . 0 0 "[ . 1]" 1
757 1 49 LEU QD 1 60 PRO HB2 3.500 . 6.000 4.186 3.909 4.460 . 0 0 "[ . 1]" 1
758 1 49 LEU QD 1 60 PRO HB3 3.000 . 4.100 3.197 2.730 3.636 . 0 0 "[ . 1]" 1
759 1 49 LEU QD 1 60 PRO HD2 4.000 . 6.000 3.871 3.632 4.170 . 0 0 "[ . 1]" 1
760 1 49 LEU QD 1 60 PRO HD3 3.200 . 4.400 2.739 2.354 3.073 . 0 0 "[ . 1]" 1
761 1 49 LEU QD 1 60 PRO HG2 3.300 . 6.000 4.150 3.484 4.766 . 0 0 "[ . 1]" 1
762 1 49 LEU QD 1 60 PRO HG3 3.500 . 5.000 3.127 2.147 4.226 . 0 0 "[ . 1]" 1
763 1 49 LEU HG 1 58 TYR HA 4.600 . 6.000 6.168 6.025 6.259 0.259 10 0 "[ . 1]" 1
764 1 49 LEU HG 1 58 TYR HB3 4.500 . 6.000 4.150 3.964 4.386 . 0 0 "[ . 1]" 1
765 1 49 LEU HG 1 60 PRO HA 3.500 . 5.000 3.486 1.934 4.777 0.066 9 0 "[ . 1]" 1
766 1 50 TYR H 1 50 TYR HA 2.900 . 4.000 2.892 2.883 2.910 . 0 0 "[ . 1]" 1
767 1 50 TYR H 1 50 TYR HB2 4.700 . 6.000 3.791 3.549 4.029 . 0 0 "[ . 1]" 1
768 1 50 TYR H 1 50 TYR HB3 3.400 . 4.800 2.993 2.645 3.479 . 0 0 "[ . 1]" 1
769 1 50 TYR H 1 59 VAL H 2.800 . 3.800 3.022 2.846 3.230 . 0 0 "[ . 1]" 1
770 1 50 TYR H 1 61 ALA H 3.900 . 5.800 4.332 3.956 4.928 . 0 0 "[ . 1]" 1
771 1 50 TYR HA 1 50 TYR HB2 2.400 . 3.100 2.341 2.262 2.480 . 0 0 "[ . 1]" 1
772 1 50 TYR HA 1 50 TYR HB3 2.700 . 3.600 2.770 2.421 3.007 . 0 0 "[ . 1]" 1
773 1 50 TYR HA 1 50 TYR QD 3.200 . 4.500 3.284 2.633 3.764 . 0 0 "[ . 1]" 1
774 1 50 TYR HA 1 50 TYR QE 4.300 . 6.000 5.281 4.756 5.698 . 0 0 "[ . 1]" 1
775 1 50 TYR HB2 1 50 TYR QD 2.800 . 3.800 2.452 2.334 2.583 . 0 0 "[ . 1]" 1
776 1 50 TYR HB3 1 50 TYR QD 2.600 . 3.400 2.368 2.259 2.478 . 0 0 "[ . 1]" 1
777 1 50 TYR HB3 1 50 TYR QE 4.100 . 6.000 4.410 4.360 4.444 . 0 0 "[ . 1]" 1
778 1 50 TYR QD 1 51 TRP HA 4.200 . 6.000 4.561 4.126 4.867 . 0 0 "[ . 1]" 1
779 1 50 TYR QD 1 52 ASP HA 3.500 . 6.000 3.652 2.749 4.622 . 0 0 "[ . 1]" 1
780 1 50 TYR QD 1 52 ASP HB2 4.000 . 6.000 3.919 3.540 4.500 . 0 0 "[ . 1]" 1
781 1 50 TYR QD 1 52 ASP HB3 4.500 . 6.000 5.192 4.810 5.700 . 0 0 "[ . 1]" 1
782 1 50 TYR QD 1 59 VAL HB 4.100 . 6.000 4.757 4.141 5.980 . 0 0 "[ . 1]" 1
783 1 50 TYR QD 1 59 VAL QG 3.800 . 4.500 2.395 1.866 3.199 0.034 3 0 "[ . 1]" 1
784 1 50 TYR QD 1 61 ALA HA 2.800 . 6.000 3.783 2.236 4.406 . 0 0 "[ . 1]" 1
785 1 50 TYR QD 1 61 ALA MB 2.900 . 6.000 3.390 2.293 4.171 . 0 0 "[ . 1]" 1
786 1 50 TYR QE 1 52 ASP HA 3.000 . 4.100 2.744 2.245 3.447 . 0 0 "[ . 1]" 1
787 1 50 TYR QE 1 52 ASP HB2 3.200 . 6.000 3.099 2.286 4.102 . 0 0 "[ . 1]" 1
788 1 50 TYR QE 1 52 ASP HB3 3.800 . 6.000 4.610 3.953 5.387 . 0 0 "[ . 1]" 1
789 1 50 TYR QE 1 59 VAL HB 3.800 . 5.600 5.165 4.112 5.838 0.238 10 0 "[ . 1]" 1
790 1 50 TYR QE 1 59 VAL QG 3.100 . 4.000 2.814 2.161 3.251 . 0 0 "[ . 1]" 1
791 1 50 TYR QE 1 61 ALA HA 2.800 . 6.000 4.753 2.675 6.117 0.117 3 0 "[ . 1]" 1
792 1 50 TYR QE 1 61 ALA MB 2.000 . 6.000 4.735 3.054 5.686 . 0 0 "[ . 1]" 1
793 1 51 TRP HA 1 51 TRP HB2 2.800 . 3.800 2.439 2.406 2.467 . 0 0 "[ . 1]" 1
794 1 51 TRP HA 1 51 TRP HD1 4.400 . 6.000 4.688 4.545 4.857 . 0 0 "[ . 1]" 1
795 1 51 TRP HA 1 51 TRP HE3 3.300 . 4.600 2.098 1.890 2.418 0.110 5 0 "[ . 1]" 1
796 1 51 TRP HA 1 51 TRP HZ3 5.800 . 6.000 4.338 4.223 4.573 . 0 0 "[ . 1]" 1
797 1 51 TRP HA 1 52 ASP H 2.500 . 3.300 2.130 2.080 2.188 . 0 0 "[ . 1]" 1
798 1 51 TRP HA 1 58 TYR HA 2.600 . 3.400 2.977 2.763 3.148 . 0 0 "[ . 1]" 1
799 1 51 TRP HA 1 58 TYR QD 3.700 . 5.400 2.805 2.253 3.283 . 0 0 "[ . 1]" 1
800 1 51 TRP HA 1 58 TYR QE 4.700 . 6.000 3.858 3.329 4.459 . 0 0 "[ . 1]" 1
801 1 51 TRP HB2 1 51 TRP HD1 3.600 . 5.300 3.573 3.335 3.692 . 0 0 "[ . 1]" 1
802 1 51 TRP HB2 1 51 TRP HE3 3.700 . 5.400 2.948 2.725 3.346 . 0 0 "[ . 1]" 1
803 1 51 TRP HB2 1 51 TRP HZ3 5.700 . 6.000 5.223 5.032 5.569 . 0 0 "[ . 1]" 1
804 1 51 TRP HB2 1 58 TYR HA 4.300 . 6.000 4.752 4.368 4.997 . 0 0 "[ . 1]" 1
805 1 51 TRP HB2 1 58 TYR QD 3.400 . 4.900 3.044 2.817 3.315 . 0 0 "[ . 1]" 1
806 1 51 TRP HB2 1 58 TYR QE 3.100 . 4.300 2.503 2.227 2.767 . 0 0 "[ . 1]" 1
807 1 51 TRP HB3 1 51 TRP HD1 2.800 . 3.800 2.589 2.576 2.608 . 0 0 "[ . 1]" 1
808 1 51 TRP HB3 1 51 TRP HZ3 6.000 . 6.000 6.315 6.298 6.327 0.327 10 0 "[ . 1]" 1
809 1 51 TRP HB3 1 58 TYR HA 5.500 . 6.000 5.841 5.657 5.995 . 0 0 "[ . 1]" 1
810 1 51 TRP HB3 1 58 TYR QD 3.400 . 4.800 4.529 4.281 4.759 . 0 0 "[ . 1]" 1
811 1 51 TRP HB3 1 58 TYR QE 3.100 . 4.300 4.179 3.863 4.362 0.062 1 0 "[ . 1]" 1
812 1 51 TRP HD1 1 53 GLY HA2 4.300 . 6.000 4.269 3.534 5.395 . 0 0 "[ . 1]" 1
813 1 51 TRP HD1 1 53 GLY HA3 4.400 . 6.000 4.650 4.061 5.748 . 0 0 "[ . 1]" 1
814 1 51 TRP HE3 1 57 THR HA 5.000 . 6.000 4.306 3.998 4.533 . 0 0 "[ . 1]" 1
815 1 51 TRP HH2 1 56 GLU HA 3.400 . 4.900 2.151 1.828 2.603 0.072 5 0 "[ . 1]" 1
816 1 51 TRP HH2 1 56 GLU HB2 3.800 . 5.600 4.497 4.211 5.006 . 0 0 "[ . 1]" 1
817 1 51 TRP HH2 1 56 GLU HB3 3.700 . 5.400 3.695 2.933 4.545 . 0 0 "[ . 1]" 1
818 1 51 TRP HH2 1 56 GLU HG2 4.300 . 6.000 3.690 2.570 5.025 . 0 0 "[ . 1]" 1
819 1 51 TRP HH2 1 57 THR HA 3.800 . 5.600 3.933 3.199 4.953 . 0 0 "[ . 1]" 1
820 1 51 TRP HZ2 1 53 GLY HA2 3.400 . 4.800 2.948 2.710 3.422 . 0 0 "[ . 1]" 1
821 1 51 TRP HZ2 1 53 GLY HA3 4.700 . 6.000 4.569 4.304 5.126 . 0 0 "[ . 1]" 1
822 1 51 TRP HZ2 1 56 GLU HA 3.300 . 4.600 3.318 2.653 4.024 . 0 0 "[ . 1]" 1
823 1 51 TRP HZ2 1 56 GLU HB3 3.500 . 5.000 5.215 4.949 5.949 0.949 8 2 "[ - . + 1]" 1
824 1 51 TRP HZ2 1 56 GLU HG2 3.800 . 5.600 4.531 3.667 5.627 0.027 6 0 "[ . 1]" 1
825 1 51 TRP HZ3 1 57 THR HA 3.000 . 4.100 2.453 2.010 3.049 . 0 0 "[ . 1]" 1
826 1 52 ASP H 1 52 ASP HB2 3.200 . 4.500 2.688 2.553 2.814 . 0 0 "[ . 1]" 1
827 1 52 ASP H 1 53 GLY H 3.900 . 5.800 2.795 2.552 4.381 . 0 0 "[ . 1]" 1
828 1 52 ASP HA 1 52 ASP HB2 2.500 . 3.300 2.412 2.359 2.512 . 0 0 "[ . 1]" 1
829 1 52 ASP HA 1 52 ASP HB3 2.800 . 3.800 3.020 3.009 3.028 . 0 0 "[ . 1]" 1
830 1 52 ASP HA 1 59 VAL QG 4.500 . 6.000 3.784 3.075 4.525 . 0 0 "[ . 1]" 1
831 1 52 ASP HB2 1 55 LYS HB2 3.600 . 5.200 3.972 3.293 4.487 . 0 0 "[ . 1]" 1
832 1 52 ASP HB2 1 55 LYS HB3 4.700 . 6.000 5.446 4.784 6.010 0.010 6 0 "[ . 1]" 1
833 1 52 ASP HB2 1 55 LYS HG2 3.700 . 5.400 3.888 3.327 4.485 . 0 0 "[ . 1]" 1
834 1 52 ASP HB2 1 57 THR MG 4.000 . 6.000 4.911 4.143 5.633 . 0 0 "[ . 1]" 1
835 1 52 ASP HB2 1 59 VAL QG 3.500 . 3.500 2.273 1.816 2.733 0.084 10 0 "[ . 1]" 1
836 1 52 ASP HB3 1 55 LYS HA 5.200 . 6.000 5.206 4.665 5.532 . 0 0 "[ . 1]" 1
837 1 52 ASP HB3 1 55 LYS HB3 4.000 . 6.000 4.424 3.621 4.946 . 0 0 "[ . 1]" 1
838 1 52 ASP HB3 1 55 LYS HG2 3.300 . 4.700 3.275 2.605 3.928 . 0 0 "[ . 1]" 1
839 1 52 ASP HB3 1 57 THR MG 3.500 . 6.000 4.118 3.619 4.756 . 0 0 "[ . 1]" 1
840 1 52 ASP HB3 1 59 VAL QG 3.300 . 6.000 2.980 2.685 3.248 . 0 0 "[ . 1]" 1
841 1 53 GLY H 1 54 GLU H 2.700 . 3.600 3.271 2.705 3.590 . 0 0 "[ . 1]" 1
842 1 53 GLY HA2 1 56 GLU HA 3.400 . 4.900 3.905 3.374 4.710 . 0 0 "[ . 1]" 1
843 1 53 GLY HA3 1 56 GLU HA 4.900 . 6.000 5.319 4.804 5.992 . 0 0 "[ . 1]" 1
844 1 54 GLU H 1 54 GLU HA 2.800 . 3.800 2.876 2.825 2.928 . 0 0 "[ . 1]" 1
845 1 54 GLU H 1 54 GLU HG2 2.600 . 6.000 3.410 1.894 4.602 . 0 0 "[ . 1]" 1
846 1 54 GLU H 1 54 GLU HG3 2.500 . 6.000 3.024 2.180 4.479 . 0 0 "[ . 1]" 1
847 1 54 GLU H 1 55 LYS H 2.200 . 2.800 2.456 2.207 2.673 . 0 0 "[ . 1]" 1
848 1 54 GLU H 1 56 GLU H 3.200 . 4.500 3.655 3.379 3.883 . 0 0 "[ . 1]" 1
849 1 54 GLU HA 1 54 GLU HB3 2.100 . 2.700 2.574 2.411 3.025 0.325 1 0 "[ . 1]" 1
850 1 54 GLU HA 1 54 GLU HG2 3.100 . 4.300 2.989 2.377 4.180 . 0 0 "[ . 1]" 1
851 1 54 GLU HA 1 54 GLU HG3 2.800 . 3.800 3.323 2.971 3.861 0.061 3 0 "[ . 1]" 1
852 1 55 LYS H 1 55 LYS HD3 3.300 . 4.600 3.511 2.945 4.623 0.023 7 0 "[ . 1]" 1
853 1 55 LYS H 1 56 GLU H 2.600 . 3.400 2.434 2.303 2.621 . 0 0 "[ . 1]" 1
854 1 55 LYS HA 1 55 LYS HB2 3.000 . 4.100 3.020 3.008 3.029 . 0 0 "[ . 1]" 1
855 1 55 LYS HA 1 55 LYS HB3 2.600 . 3.400 2.431 2.352 2.537 . 0 0 "[ . 1]" 1
856 1 55 LYS HA 1 55 LYS HD2 2.700 . 3.600 2.988 1.891 3.663 0.063 3 0 "[ . 1]" 1
857 1 55 LYS HA 1 55 LYS HD3 2.800 . 3.800 2.326 2.051 3.534 . 0 0 "[ . 1]" 1
858 1 55 LYS HA 1 55 LYS HE3 4.400 . 6.000 4.188 1.982 4.936 0.018 3 0 "[ . 1]" 1
859 1 55 LYS HA 1 55 LYS HG2 3.300 . 4.700 3.218 2.982 3.408 . 0 0 "[ . 1]" 1
860 1 55 LYS HA 1 55 LYS HG3 3.900 . 5.800 3.799 3.693 3.863 . 0 0 "[ . 1]" 1
861 1 55 LYS HA 1 57 THR MG 4.000 . 6.000 4.066 3.947 4.282 . 0 0 "[ . 1]" 1
862 1 55 LYS HB2 1 57 THR HB 5.000 . 6.000 4.818 4.459 5.274 . 0 0 "[ . 1]" 1
863 1 55 LYS HB2 1 57 THR MG 2.700 . 3.600 2.508 2.214 2.932 . 0 0 "[ . 1]" 1
864 1 55 LYS HB3 1 57 THR HB 4.400 . 6.000 4.653 4.326 4.984 . 0 0 "[ . 1]" 1
865 1 55 LYS HB3 1 57 THR MG 2.400 . 3.100 2.426 2.106 2.672 . 0 0 "[ . 1]" 1
866 1 55 LYS HD2 1 55 LYS HE3 2.800 . 3.700 2.662 2.385 3.018 . 0 0 "[ . 1]" 1
867 1 55 LYS HD2 1 57 THR MG 4.000 . 6.000 4.666 4.382 4.881 . 0 0 "[ . 1]" 1
868 1 55 LYS HD3 1 55 LYS HE3 2.900 . 4.000 2.676 2.406 3.018 . 0 0 "[ . 1]" 1
869 1 55 LYS HD3 1 57 THR MG 4.500 . 6.000 5.014 4.000 5.302 . 0 0 "[ . 1]" 1
870 1 55 LYS HE3 1 55 LYS HG2 2.700 . 3.600 3.023 2.367 3.736 0.136 4 0 "[ . 1]" 1
871 1 55 LYS HE3 1 55 LYS HG3 2.600 . 3.400 3.127 2.553 3.705 0.305 2 0 "[ . 1]" 1
872 1 55 LYS HG2 1 57 THR MG 4.500 . 6.000 4.492 4.291 4.833 . 0 0 "[ . 1]" 1
873 1 55 LYS HG2 1 59 VAL QG 3.600 . 6.000 3.975 3.350 4.500 . 0 0 "[ . 1]" 1
874 1 55 LYS HG3 1 57 THR MG 3.700 . 5.400 3.863 3.640 4.131 . 0 0 "[ . 1]" 1
875 1 55 LYS HG3 1 59 VAL QG 3.600 . 6.000 3.149 2.569 4.023 . 0 0 "[ . 1]" 1
876 1 56 GLU H 1 56 GLU HA 2.900 . 3.900 2.255 2.247 2.267 . 0 0 "[ . 1]" 1
877 1 56 GLU H 1 56 GLU HB3 3.900 . 5.800 3.908 3.619 4.067 . 0 0 "[ . 1]" 1
878 1 56 GLU H 1 57 THR H 3.200 . 4.400 2.757 2.697 2.823 . 0 0 "[ . 1]" 1
879 1 56 GLU HA 1 56 GLU HB3 2.600 . 3.400 2.628 2.376 3.020 . 0 0 "[ . 1]" 1
880 1 56 GLU HA 1 56 GLU HG2 3.100 . 4.300 2.708 2.397 3.028 . 0 0 "[ . 1]" 1
881 1 57 THR H 1 58 TYR H 3.500 . 6.000 4.342 4.307 4.391 . 0 0 "[ . 1]" 1
882 1 57 THR HA 1 57 THR HB 2.500 . 3.300 2.491 2.460 2.517 . 0 0 "[ . 1]" 1
883 1 57 THR HA 1 57 THR MG 3.000 . 4.100 3.217 3.213 3.220 . 0 0 "[ . 1]" 1
884 1 57 THR HB 1 57 THR MG 2.200 . 2.800 2.133 2.130 2.136 . 0 0 "[ . 1]" 1
885 1 57 THR MG 1 58 TYR H 3.800 . 5.600 3.279 2.879 3.601 . 0 0 "[ . 1]" 1
886 1 57 THR MG 1 58 TYR HA 4.200 . 6.000 4.066 3.937 4.161 . 0 0 "[ . 1]" 1
887 1 57 THR MG 1 59 VAL HA 3.400 . 4.900 3.946 3.849 4.129 . 0 0 "[ . 1]" 1
888 1 58 TYR H 1 58 TYR HB3 3.900 . 6.000 3.629 3.600 3.666 . 0 0 "[ . 1]" 1
889 1 58 TYR HA 1 58 TYR HB3 2.500 . 3.300 2.470 2.425 2.543 . 0 0 "[ . 1]" 1
890 1 58 TYR HA 1 58 TYR QD 3.000 . 4.100 2.600 2.331 2.851 . 0 0 "[ . 1]" 1
891 1 58 TYR HA 1 59 VAL H 2.800 . 3.800 2.123 2.085 2.183 . 0 0 "[ . 1]" 1
892 1 58 TYR HA 1 59 VAL QG 4.300 . 5.400 3.349 3.293 3.422 . 0 0 "[ . 1]" 1
893 1 58 TYR HB3 1 58 TYR QD 2.900 . 3.900 2.533 2.427 2.628 . 0 0 "[ . 1]" 1
894 1 58 TYR HB3 1 58 TYR QE 4.600 . 6.000 4.454 4.415 4.482 . 0 0 "[ . 1]" 1
895 1 58 TYR HB3 1 59 VAL H 4.000 . 6.000 3.615 3.296 3.768 . 0 0 "[ . 1]" 1
896 1 59 VAL H 1 59 VAL QG 3.200 . 4.500 1.891 1.843 1.989 0.057 1 0 "[ . 1]" 1
897 1 59 VAL HA 1 59 VAL HB 2.700 . 3.600 2.483 2.338 2.550 . 0 0 "[ . 1]" 1
898 1 59 VAL HA 1 59 VAL QG 2.400 . 3.100 2.285 2.210 2.443 . 0 0 "[ . 1]" 1
899 1 59 VAL HA 1 60 PRO HD2 2.400 . 3.100 2.422 1.984 2.686 . 0 0 "[ . 1]" 1
900 1 59 VAL HA 1 60 PRO HD3 2.100 . 2.600 2.063 1.698 2.477 . 0 0 "[ . 1]" 1
901 1 59 VAL HA 1 60 PRO HG2 4.300 . 6.000 4.355 4.181 4.446 . 0 0 "[ . 1]" 1
902 1 59 VAL HA 1 60 PRO HG3 4.200 . 6.000 4.189 3.840 4.522 . 0 0 "[ . 1]" 1
903 1 59 VAL HB 1 60 PRO HD2 2.900 . 4.000 2.966 2.154 4.014 0.014 4 0 "[ . 1]" 1
904 1 59 VAL HB 1 60 PRO HD3 3.900 . 5.800 3.827 3.522 4.343 . 0 0 "[ . 1]" 1
905 1 59 VAL HB 1 60 PRO HG3 4.700 . 6.000 5.451 4.698 6.203 0.203 8 0 "[ . 1]" 1
906 1 59 VAL MG1 1 59 VAL MG2 2.200 . 6.000 2.080 2.075 2.085 . 0 0 "[ . 1]" 1
907 1 59 VAL QG 1 60 PRO HD2 3.000 . 4.100 2.972 1.991 3.545 . 0 0 "[ . 1]" 1
908 1 59 VAL QG 1 60 PRO HD3 3.700 . 4.300 3.507 3.028 3.845 . 0 0 "[ . 1]" 1
909 1 59 VAL QG 1 60 PRO HG2 4.300 . 6.000 4.590 3.919 5.117 . 0 0 "[ . 1]" 1
910 1 59 VAL QG 1 60 PRO HG3 4.000 . 6.000 4.895 4.371 5.148 . 0 0 "[ . 1]" 1
911 1 60 PRO HA 1 60 PRO HB3 2.300 . 3.000 2.285 2.263 2.300 . 0 0 "[ . 1]" 1
912 1 60 PRO HA 1 60 PRO HG2 3.500 . 5.000 3.921 3.836 4.037 . 0 0 "[ . 1]" 1
913 1 60 PRO HA 1 61 ALA H 2.200 . 2.800 2.153 2.127 2.222 . 0 0 "[ . 1]" 1
914 1 60 PRO HA 1 61 ALA MB 5.000 . 6.000 3.974 3.944 3.997 . 0 0 "[ . 1]" 1
915 1 60 PRO HB2 1 60 PRO HD2 3.200 . 4.500 3.391 2.927 4.048 . 0 0 "[ . 1]" 1
916 1 60 PRO HB3 1 60 PRO HD2 3.500 . 5.100 3.889 3.852 3.919 . 0 0 "[ . 1]" 1
917 1 60 PRO HB3 1 60 PRO HD3 3.400 . 4.800 3.619 2.958 4.049 . 0 0 "[ . 1]" 1
918 1 60 PRO HB3 1 60 PRO HG2 2.900 . 3.900 2.798 2.655 2.992 . 0 0 "[ . 1]" 1
919 1 60 PRO HB3 1 61 ALA H 3.800 . 5.600 3.609 3.269 3.921 . 0 0 "[ . 1]" 1
920 1 60 PRO HD2 1 60 PRO HG3 2.800 . 3.800 2.868 2.682 2.992 . 0 0 "[ . 1]" 1
921 1 60 PRO HD3 1 60 PRO HG2 3.000 . 4.100 2.807 2.663 2.991 . 0 0 "[ . 1]" 1
922 1 60 PRO HD3 1 60 PRO HG3 2.500 . 3.300 2.309 2.301 2.323 . 0 0 "[ . 1]" 1
923 1 61 ALA H 1 61 ALA MB 2.700 . 6.000 2.275 2.258 2.289 . 0 0 "[ . 1]" 1
924 1 61 ALA H 1 62 ALA H 2.800 . 3.800 3.215 2.326 3.775 . 0 0 "[ . 1]" 1
925 1 61 ALA HA 1 61 ALA MB 2.200 . 6.000 2.130 2.126 2.135 . 0 0 "[ . 1]" 1
926 1 61 ALA MB 1 62 ALA H 3.000 . 6.000 3.506 2.575 3.710 . 0 0 "[ . 1]" 1
927 1 62 ALA H 1 62 ALA HA 2.400 . 3.100 2.777 2.272 2.949 . 0 0 "[ . 1]" 1
928 1 62 ALA H 1 62 ALA MB 2.500 . 3.300 2.589 2.276 2.897 . 0 0 "[ . 1]" 1
929 1 62 ALA HA 1 62 ALA MB 2.200 . 2.800 2.132 2.124 2.136 . 0 0 "[ . 1]" 1
930 1 63 GLU H 1 63 GLU HB2 2.900 . 4.000 2.881 2.449 3.638 . 0 0 "[ . 1]" 1
931 1 63 GLU H 1 64 SER H 3.500 . 5.100 4.419 4.238 4.627 . 0 0 "[ . 1]" 1
932 1 63 GLU HA 1 63 GLU HB2 3.000 . 4.100 2.637 2.433 3.024 . 0 0 "[ . 1]" 1
933 1 63 GLU HA 1 63 GLU HB3 2.600 . 3.500 2.669 2.367 3.029 . 0 0 "[ . 1]" 1
934 1 63 GLU HA 1 63 GLU HG3 3.000 . 4.200 3.319 2.566 3.786 . 0 0 "[ . 1]" 1
935 1 64 SER H 1 64 SER HB3 3.400 . 4.900 3.668 2.867 3.999 . 0 0 "[ . 1]" 1
936 1 64 SER HA 1 64 SER HB3 2.400 . 3.100 2.486 2.311 3.022 . 0 0 "[ . 1]" 1
937 2 2 MET HA 2 3 ARG H 2.500 . 3.300 3.151 2.787 3.490 0.190 9 0 "[ . 1]" 1
938 2 2 MET HB2 2 3 ARG H 4.000 . 6.000 3.257 1.950 4.462 0.050 1 0 "[ . 1]" 1
939 2 2 MET HG3 2 3 ARG H 4.100 . 6.000 2.898 2.376 3.686 . 0 0 "[ . 1]" 1
940 2 3 ARG H 2 3 ARG HB2 3.600 . 5.200 3.761 3.564 4.038 . 0 0 "[ . 1]" 1
941 2 3 ARG H 2 3 ARG HB3 3.200 . 4.500 2.863 2.391 3.443 . 0 0 "[ . 1]" 1
942 2 3 ARG H 2 3 ARG HD3 5.100 . 6.000 4.606 4.323 4.807 . 0 0 "[ . 1]" 1
943 2 3 ARG H 2 3 ARG HG3 3.900 . 5.800 3.583 3.445 3.849 . 0 0 "[ . 1]" 1
944 2 7 PRO HA 2 8 GLY H 2.100 . 2.700 2.144 2.120 2.166 . 0 0 "[ . 1]" 1
945 2 7 PRO HB2 2 8 GLY H 3.500 . 5.000 3.704 3.548 3.930 . 0 0 "[ . 1]" 1
946 2 7 PRO HB3 2 8 GLY H 3.700 . 5.400 3.676 3.504 3.802 . 0 0 "[ . 1]" 1
947 2 7 PRO HG3 2 8 GLY H 2.800 . 6.000 5.368 4.993 5.617 . 0 0 "[ . 1]" 1
948 2 8 GLY H 2 8 GLY HA3 2.300 . 3.000 2.950 2.933 2.959 . 0 0 "[ . 1]" 1
949 2 8 GLY H 2 9 ILE H 3.400 . 4.800 3.771 3.536 3.987 . 0 0 "[ . 1]" 1
950 2 8 GLY H 2 9 ILE MD 5.700 . 6.000 2.122 1.968 2.222 . 0 0 "[ . 1]" 1
951 2 8 GLY H 2 9 ILE MG 5.900 . 6.000 4.359 4.246 4.506 . 0 0 "[ . 1]" 1
952 2 8 GLY HA3 2 9 ILE H 2.000 . 2.500 2.172 2.106 2.272 . 0 0 "[ . 1]" 1
953 2 9 ILE H 2 9 ILE HA 2.500 . 3.300 2.275 2.264 2.298 . 0 0 "[ . 1]" 1
954 2 9 ILE H 2 9 ILE HB 2.800 . 3.800 3.916 3.904 3.925 0.125 6 0 "[ . 1]" 1
955 2 9 ILE H 2 9 ILE MD 3.800 . 5.600 2.715 2.480 2.955 . 0 0 "[ . 1]" 1
956 2 9 ILE H 2 9 ILE HG12 3.000 . 4.100 3.856 3.731 3.988 . 0 0 "[ . 1]" 1
957 2 9 ILE H 2 9 ILE HG13 3.600 . 5.200 4.650 4.503 4.796 . 0 0 "[ . 1]" 1
958 2 9 ILE H 2 9 ILE MG 3.400 . 4.800 2.338 2.201 2.565 . 0 0 "[ . 1]" 1
959 2 9 ILE H 2 10 ARG H 3.100 . 4.300 3.103 2.990 3.243 . 0 0 "[ . 1]" 1
960 2 9 ILE HA 2 10 ARG H 2.300 . 3.000 2.566 2.501 2.688 . 0 0 "[ . 1]" 1
961 2 9 ILE HB 2 10 ARG H 3.600 . 5.300 4.359 4.308 4.429 . 0 0 "[ . 1]" 1
962 2 9 ILE MD 2 10 ARG H 3.300 . 6.000 4.484 4.403 4.556 . 0 0 "[ . 1]" 1
963 2 9 ILE HG12 2 10 ARG H 4.400 . 6.000 4.347 4.196 4.482 . 0 0 "[ . 1]" 1
964 2 9 ILE HG13 2 10 ARG H 3.300 . 6.000 5.678 5.596 5.758 . 0 0 "[ . 1]" 1
965 2 9 ILE MG 2 10 ARG H 2.400 . 6.000 4.262 4.208 4.329 . 0 0 "[ . 1]" 1
966 2 10 ARG H 2 10 ARG HB2 2.900 . 4.000 2.467 2.351 2.678 . 0 0 "[ . 1]" 1
967 2 10 ARG H 2 10 ARG HB3 4.200 . 6.000 3.629 3.590 3.734 . 0 0 "[ . 1]" 1
968 2 10 ARG H 2 10 ARG HD3 5.700 . 6.000 4.685 3.612 5.017 . 0 0 "[ . 1]" 1
969 2 10 ARG H 2 10 ARG HG3 3.200 . 4.500 2.574 2.274 2.826 . 0 0 "[ . 1]" 1
970 2 10 ARG HA 2 11 GLY H 2.500 . 3.300 2.484 2.139 3.168 . 0 0 "[ . 1]" 1
971 2 10 ARG HB2 2 11 GLY H 4.500 . 6.000 3.809 2.998 4.472 . 0 0 "[ . 1]" 1
972 2 10 ARG HG3 2 11 GLY H 5.000 . 6.000 4.840 4.434 5.382 . 0 0 "[ . 1]" 1
973 2 11 GLY H 2 11 GLY HA2 2.900 . 3.900 2.794 2.313 2.953 . 0 0 "[ . 1]" 1
974 2 11 GLY H 2 11 GLY HA3 2.900 . 4.000 2.678 2.368 2.888 . 0 0 "[ . 1]" 1
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