NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596252 |
2n4v   |
25682 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n4v
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 463
_Distance_constraint_stats_list.Viol_count 545
_Distance_constraint_stats_list.Viol_total 224.635
_Distance_constraint_stats_list.Viol_max 0.135
_Distance_constraint_stats_list.Viol_rms 0.0071
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0206
_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 GLY 0.189 0.135 4 0 "[ . 1 . 2]"
1 2 ALA 0.142 0.044 3 0 "[ . 1 . 2]"
1 3 THR 0.331 0.135 4 0 "[ . 1 . 2]"
1 4 ALA 0.017 0.017 7 0 "[ . 1 . 2]"
1 5 VAL 0.019 0.017 7 0 "[ . 1 . 2]"
1 6 SER 0.107 0.016 19 0 "[ . 1 . 2]"
1 7 GLU 0.053 0.010 4 0 "[ . 1 . 2]"
1 8 TRP 1.268 0.035 12 0 "[ . 1 . 2]"
1 9 THR 0.136 0.011 17 0 "[ . 1 . 2]"
1 10 GLU 1.078 0.049 11 0 "[ . 1 . 2]"
1 11 TYR 1.261 0.066 11 0 "[ . 1 . 2]"
1 12 LYS 5.478 0.085 11 0 "[ . 1 . 2]"
1 13 THR 0.600 0.065 8 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.010 0.007 2 0 "[ . 1 . 2]"
1 16 GLY 0.008 0.008 11 0 "[ . 1 . 2]"
1 17 LYS 2.791 0.070 11 0 "[ . 1 . 2]"
1 18 THR 5.209 0.085 11 0 "[ . 1 . 2]"
1 19 TYR 0.710 0.039 11 0 "[ . 1 . 2]"
1 20 TYR 0.199 0.019 1 0 "[ . 1 . 2]"
1 21 TYR 0.830 0.035 12 0 "[ . 1 . 2]"
1 22 ASN 0.056 0.010 4 0 "[ . 1 . 2]"
1 23 ASN 0.034 0.007 8 0 "[ . 1 . 2]"
1 24 ARG 0.049 0.008 5 0 "[ . 1 . 2]"
1 25 THR 0.466 0.034 20 0 "[ . 1 . 2]"
1 26 LEU 0.076 0.008 13 0 "[ . 1 . 2]"
1 27 GLU 0.430 0.034 20 0 "[ . 1 . 2]"
1 28 SER 0.023 0.007 10 0 "[ . 1 . 2]"
1 29 ASP 0.011 0.007 8 0 "[ . 1 . 2]"
1 30 TRP 0.307 0.026 3 0 "[ . 1 . 2]"
1 31 GLU 0.256 0.026 3 0 "[ . 1 . 2]"
1 32 LYS 0.058 0.015 14 0 "[ . 1 . 2]"
1 33 PRO 0.040 0.008 16 0 "[ . 1 . 2]"
1 34 GLN 0.022 0.008 10 0 "[ . 1 . 2]"
1 35 GLU 0.066 0.020 7 0 "[ . 1 . 2]"
1 36 LEU 0.121 0.015 14 0 "[ . 1 . 2]"
1 37 LYS 0.014 0.005 7 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 GLY HA3 1 2 ALA H 3.409 . 4.877 2.953 2.147 3.552 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY HA3 1 3 THR H 4.451 2.181 6.721 5.098 3.403 6.856 0.135 4 0 "[ . 1 . 2]" 1
3 1 2 ALA HA 1 3 THR H 2.593 . 3.434 2.895 2.145 3.478 0.044 3 0 "[ . 1 . 2]" 1
4 1 2 ALA MB 1 3 THR H 3.781 2.026 5.536 2.881 2.043 3.699 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR HA 1 4 ALA H 2.862 . 3.909 2.828 2.101 3.571 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR HB 1 4 ALA H 3.594 . 5.205 3.797 2.187 4.602 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR MG 1 4 ALA H 4.259 2.137 6.381 3.604 2.801 4.248 . 0 0 "[ . 1 . 2]" 1
8 1 4 ALA H 1 5 VAL H 3.588 . 5.194 4.103 2.938 4.704 . 0 0 "[ . 1 . 2]" 1
9 1 4 ALA H 1 5 VAL MG2 4.452 2.181 6.722 5.387 3.449 6.530 . 0 0 "[ . 1 . 2]" 1
10 1 4 ALA HA 1 5 VAL H 2.433 . 3.151 2.300 2.088 3.032 . 0 0 "[ . 1 . 2]" 1
11 1 4 ALA HA 1 5 VAL MG2 3.866 2.046 5.687 4.455 3.403 5.590 . 0 0 "[ . 1 . 2]" 1
12 1 4 ALA MB 1 5 VAL H 3.625 . 5.259 3.031 1.974 3.687 0.017 7 0 "[ . 1 . 2]" 1
13 1 5 VAL H 1 6 SER H 3.648 . 5.301 3.718 2.260 4.592 . 0 0 "[ . 1 . 2]" 1
14 1 5 VAL HA 1 6 SER H 2.828 . 3.849 2.548 2.125 3.463 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL HA 1 8 TRP HD1 4.122 2.105 6.138 4.927 3.311 6.140 0.002 14 0 "[ . 1 . 2]" 1
16 1 5 VAL HB 1 6 SER H 3.421 . 4.899 3.907 2.379 4.417 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL MG1 1 6 SER H 3.890 2.052 5.728 3.413 2.337 4.203 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL MG2 1 6 SER H 3.868 2.047 5.690 3.390 2.102 4.254 . 0 0 "[ . 1 . 2]" 1
19 1 5 VAL MG2 1 7 GLU H 4.073 2.094 6.052 4.477 2.172 5.124 . 0 0 "[ . 1 . 2]" 1
20 1 6 SER H 1 7 GLU H 4.306 2.147 6.464 2.808 2.145 3.993 0.002 18 0 "[ . 1 . 2]" 1
21 1 6 SER HA 1 7 GLU H 3.231 . 4.563 3.039 2.236 3.497 . 0 0 "[ . 1 . 2]" 1
22 1 6 SER HA 1 8 TRP H 3.705 2.009 5.401 3.233 2.758 4.427 . 0 0 "[ . 1 . 2]" 1
23 1 6 SER HA 1 8 TRP HD1 3.564 . 5.151 4.290 3.223 5.167 0.016 19 0 "[ . 1 . 2]" 1
24 1 6 SER HB2 1 7 GLU H 4.061 2.091 6.031 3.951 2.085 4.580 0.006 1 0 "[ . 1 . 2]" 1
25 1 6 SER HB2 1 8 TRP H 4.074 2.094 6.055 4.749 4.203 5.355 . 0 0 "[ . 1 . 2]" 1
26 1 6 SER HB2 1 8 TRP HD1 4.236 2.131 6.341 5.922 3.844 6.356 0.015 3 0 "[ . 1 . 2]" 1
27 1 6 SER HB3 1 7 GLU H 4.116 2.104 6.128 4.231 3.339 4.652 . 0 0 "[ . 1 . 2]" 1
28 1 6 SER HB3 1 8 TRP HD1 4.372 2.163 6.582 6.054 4.440 6.596 0.014 12 0 "[ . 1 . 2]" 1
29 1 7 GLU H 1 8 TRP H 3.773 2.025 5.521 2.609 2.370 2.922 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLU H 1 8 TRP HD1 4.214 2.126 6.301 2.645 2.127 2.956 . 0 0 "[ . 1 . 2]" 1
31 1 7 GLU HA 1 8 TRP H 3.507 . 5.051 3.210 2.948 3.376 . 0 0 "[ . 1 . 2]" 1
32 1 7 GLU HA 1 23 ASN HB2 3.482 . 5.007 4.247 3.447 5.014 0.007 8 0 "[ . 1 . 2]" 1
33 1 7 GLU HA 1 23 ASN HD21 3.989 2.074 5.904 3.743 2.746 4.387 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLU HA 1 23 ASN HD22 3.827 2.037 5.617 4.966 3.642 5.485 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLU HB2 1 8 TRP H 3.793 2.029 5.556 4.053 3.239 4.457 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLU HB2 1 8 TRP HD1 3.602 . 5.219 3.673 2.096 5.024 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLU HB2 1 8 TRP HE1 4.156 2.113 6.199 4.680 2.834 6.194 . 0 0 "[ . 1 . 2]" 1
38 1 7 GLU HB2 1 22 ASN HD21 3.727 2.014 5.440 4.259 2.732 5.443 0.003 8 0 "[ . 1 . 2]" 1
39 1 7 GLU HB3 1 8 TRP H 3.812 2.033 5.590 4.101 3.403 4.664 . 0 0 "[ . 1 . 2]" 1
40 1 7 GLU HB3 1 8 TRP HD1 3.920 2.059 5.782 3.740 2.283 4.939 . 0 0 "[ . 1 . 2]" 1
41 1 7 GLU HB3 1 22 ASN HD21 4.138 2.109 6.167 4.176 2.847 5.798 . 0 0 "[ . 1 . 2]" 1
42 1 7 GLU HB3 1 22 ASN HD22 4.295 2.145 6.446 4.014 2.516 6.023 . 0 0 "[ . 1 . 2]" 1
43 1 7 GLU HG2 1 8 TRP H 3.883 2.050 5.716 4.821 3.508 5.722 0.006 18 0 "[ . 1 . 2]" 1
44 1 7 GLU HG2 1 8 TRP HD1 3.838 2.039 5.636 4.411 2.394 5.416 . 0 0 "[ . 1 . 2]" 1
45 1 7 GLU HG2 1 8 TRP HE1 4.327 2.152 6.501 5.147 3.088 6.507 0.006 16 0 "[ . 1 . 2]" 1
46 1 7 GLU HG2 1 22 ASN HD21 3.998 2.077 5.920 4.691 2.764 5.930 0.010 4 0 "[ . 1 . 2]" 1
47 1 7 GLU HG3 1 8 TRP H 3.898 2.053 5.743 4.736 3.194 5.712 . 0 0 "[ . 1 . 2]" 1
48 1 7 GLU HG3 1 8 TRP HD1 3.894 2.053 5.736 4.229 2.050 5.540 0.002 15 0 "[ . 1 . 2]" 1
49 1 7 GLU HG3 1 22 ASN HD21 4.068 2.093 6.043 4.465 2.097 6.043 . 0 0 "[ . 1 . 2]" 1
50 1 8 TRP H 1 36 LEU MD1 4.807 2.263 7.352 4.908 3.069 6.178 . 0 0 "[ . 1 . 2]" 1
51 1 8 TRP H 1 36 LEU MD2 4.945 2.295 7.595 4.747 3.486 6.701 . 0 0 "[ . 1 . 2]" 1
52 1 8 TRP HA 1 9 THR H 3.500 . 5.038 2.211 2.143 2.243 . 0 0 "[ . 1 . 2]" 1
53 1 8 TRP HA 1 21 TYR H 3.467 . 4.980 4.447 4.189 4.589 . 0 0 "[ . 1 . 2]" 1
54 1 8 TRP HA 1 21 TYR QD 4.434 2.177 6.690 3.766 3.579 3.983 . 0 0 "[ . 1 . 2]" 1
55 1 8 TRP HA 1 22 ASN HA 4.009 2.079 5.939 2.494 2.308 2.758 . 0 0 "[ . 1 . 2]" 1
56 1 8 TRP HA 1 23 ASN H 3.934 2.062 5.806 3.061 2.814 3.483 . 0 0 "[ . 1 . 2]" 1
57 1 8 TRP HB2 1 9 THR H 4.054 2.089 6.018 3.787 3.667 3.859 . 0 0 "[ . 1 . 2]" 1
58 1 8 TRP HB2 1 20 TYR HB2 3.605 . 5.225 5.150 4.807 5.235 0.011 12 0 "[ . 1 . 2]" 1
59 1 8 TRP HB2 1 20 TYR HB3 4.260 2.137 6.383 3.518 3.133 3.708 . 0 0 "[ . 1 . 2]" 1
60 1 8 TRP HB2 1 21 TYR QD 4.484 2.189 6.780 6.229 6.112 6.295 . 0 0 "[ . 1 . 2]" 1
61 1 8 TRP HB2 1 36 LEU MD1 4.702 2.239 7.165 4.326 3.125 5.220 . 0 0 "[ . 1 . 2]" 1
62 1 8 TRP HB3 1 9 THR H 3.502 . 5.042 2.730 2.680 2.835 . 0 0 "[ . 1 . 2]" 1
63 1 8 TRP HB3 1 9 THR HB 3.987 2.074 5.900 5.426 5.361 5.528 . 0 0 "[ . 1 . 2]" 1
64 1 8 TRP HB3 1 20 TYR HA 3.996 2.076 5.917 3.818 3.646 3.958 . 0 0 "[ . 1 . 2]" 1
65 1 8 TRP HB3 1 20 TYR QD 4.002 2.077 5.926 3.677 2.954 4.283 . 0 0 "[ . 1 . 2]" 1
66 1 8 TRP HB3 1 21 TYR QD 3.436 . 4.926 4.953 4.945 4.961 0.035 12 0 "[ . 1 . 2]" 1
67 1 8 TRP HB3 1 36 LEU MD1 4.624 2.221 7.027 5.692 4.635 6.528 . 0 0 "[ . 1 . 2]" 1
68 1 8 TRP HD1 1 33 PRO HG2 5.154 2.343 7.965 5.373 4.096 6.517 . 0 0 "[ . 1 . 2]" 1
69 1 8 TRP HD1 1 33 PRO HG3 4.863 2.276 7.449 5.212 3.874 6.857 . 0 0 "[ . 1 . 2]" 1
70 1 8 TRP HD1 1 35 GLU HB2 3.626 . 5.262 4.491 3.022 5.162 . 0 0 "[ . 1 . 2]" 1
71 1 8 TRP HD1 1 35 GLU HB3 3.863 2.045 5.681 4.939 3.396 5.701 0.020 7 0 "[ . 1 . 2]" 1
72 1 8 TRP HD1 1 36 LEU MD1 4.458 2.183 6.734 4.786 3.249 6.200 . 0 0 "[ . 1 . 2]" 1
73 1 8 TRP HD1 1 36 LEU MD2 4.781 2.257 7.305 4.567 3.589 6.125 . 0 0 "[ . 1 . 2]" 1
74 1 8 TRP HE1 1 22 ASN HD22 3.983 2.073 5.893 3.361 3.089 3.762 . 0 0 "[ . 1 . 2]" 1
75 1 8 TRP HE1 1 33 PRO HB2 4.546 2.203 6.890 4.656 3.461 6.305 . 0 0 "[ . 1 . 2]" 1
76 1 8 TRP HE1 1 33 PRO HB3 4.740 2.248 7.233 5.189 2.977 7.160 . 0 0 "[ . 1 . 2]" 1
77 1 8 TRP HE1 1 33 PRO HG2 4.863 2.276 7.449 4.522 3.977 5.273 . 0 0 "[ . 1 . 2]" 1
78 1 8 TRP HE1 1 33 PRO HG3 4.658 2.229 7.087 4.223 2.868 5.261 . 0 0 "[ . 1 . 2]" 1
79 1 8 TRP HE1 1 35 GLU HB2 4.143 2.110 6.176 3.180 2.397 4.457 . 0 0 "[ . 1 . 2]" 1
80 1 8 TRP HE1 1 35 GLU HB3 4.486 2.189 6.783 3.770 2.389 4.845 . 0 0 "[ . 1 . 2]" 1
81 1 8 TRP HE1 1 35 GLU HG2 5.166 2.346 7.986 4.235 3.103 5.270 . 0 0 "[ . 1 . 2]" 1
82 1 8 TRP HE3 1 9 THR H 3.734 2.015 5.452 4.336 4.118 4.536 . 0 0 "[ . 1 . 2]" 1
83 1 8 TRP HE3 1 10 GLU HG2 4.442 2.179 6.706 6.724 6.718 6.734 0.028 15 0 "[ . 1 . 2]" 1
84 1 8 TRP HE3 1 20 TYR HA 3.882 2.050 5.715 3.570 3.457 3.845 . 0 0 "[ . 1 . 2]" 1
85 1 8 TRP HE3 1 20 TYR HB2 3.360 . 4.790 2.538 2.232 2.930 . 0 0 "[ . 1 . 2]" 1
86 1 8 TRP HE3 1 20 TYR HB3 3.525 . 5.083 1.982 1.948 2.107 0.019 1 0 "[ . 1 . 2]" 1
87 1 8 TRP HE3 1 20 TYR QD 4.058 2.090 6.025 4.002 3.849 4.132 . 0 0 "[ . 1 . 2]" 1
88 1 8 TRP HE3 1 21 TYR H 3.723 2.013 5.432 3.457 3.194 3.815 . 0 0 "[ . 1 . 2]" 1
89 1 8 TRP HE3 1 22 ASN HA 3.767 2.023 5.511 3.808 3.550 4.164 . 0 0 "[ . 1 . 2]" 1
90 1 8 TRP HE3 1 22 ASN HB2 4.201 2.123 6.278 3.464 3.147 3.794 . 0 0 "[ . 1 . 2]" 1
91 1 8 TRP HE3 1 22 ASN HB3 4.575 2.210 6.940 4.765 4.381 5.017 . 0 0 "[ . 1 . 2]" 1
92 1 8 TRP HE3 1 25 THR MG 4.452 2.181 6.722 6.546 6.061 6.728 0.006 14 0 "[ . 1 . 2]" 1
93 1 8 TRP HE3 1 33 PRO HG2 4.448 2.180 6.716 5.391 4.071 6.072 . 0 0 "[ . 1 . 2]" 1
94 1 8 TRP HE3 1 33 PRO HG3 4.511 2.195 6.827 4.037 3.209 5.477 . 0 0 "[ . 1 . 2]" 1
95 1 8 TRP HE3 1 36 LEU MD1 4.711 2.241 7.181 6.662 5.572 7.186 0.005 3 0 "[ . 1 . 2]" 1
96 1 8 TRP HE3 1 36 LEU MD2 4.837 2.270 7.404 4.717 3.475 5.820 . 0 0 "[ . 1 . 2]" 1
97 1 8 TRP HH2 1 20 TYR HB2 4.226 2.129 6.323 5.010 4.770 5.313 . 0 0 "[ . 1 . 2]" 1
98 1 8 TRP HH2 1 22 ASN HA 3.973 2.071 5.874 5.645 5.392 5.878 0.004 4 0 "[ . 1 . 2]" 1
99 1 8 TRP HH2 1 22 ASN HB2 3.908 2.056 5.760 3.370 3.135 3.599 . 0 0 "[ . 1 . 2]" 1
100 1 8 TRP HH2 1 22 ASN HB3 4.279 2.141 6.416 4.321 3.997 4.526 . 0 0 "[ . 1 . 2]" 1
101 1 8 TRP HH2 1 29 ASP HB2 4.130 2.107 6.154 4.562 3.426 6.160 0.007 8 0 "[ . 1 . 2]" 1
102 1 8 TRP HH2 1 29 ASP HB3 3.934 2.062 5.806 4.191 3.212 5.517 . 0 0 "[ . 1 . 2]" 1
103 1 8 TRP HH2 1 33 PRO HG3 5.123 2.336 7.910 3.442 2.328 4.528 0.008 16 0 "[ . 1 . 2]" 1
104 1 8 TRP HZ2 1 22 ASN HB2 4.475 2.187 6.763 3.395 3.161 3.779 . 0 0 "[ . 1 . 2]" 1
105 1 8 TRP HZ2 1 22 ASN HB3 4.695 2.237 7.154 4.663 4.296 5.060 . 0 0 "[ . 1 . 2]" 1
106 1 8 TRP HZ2 1 22 ASN HD22 3.800 2.031 5.570 4.256 3.927 4.731 . 0 0 "[ . 1 . 2]" 1
107 1 8 TRP HZ2 1 33 PRO HB2 4.674 2.233 7.116 3.602 3.159 4.712 . 0 0 "[ . 1 . 2]" 1
108 1 8 TRP HZ2 1 33 PRO HG3 4.809 2.264 7.355 3.349 2.492 4.474 . 0 0 "[ . 1 . 2]" 1
109 1 8 TRP HZ3 1 20 TYR HB2 3.155 . 4.427 2.944 2.588 3.326 . 0 0 "[ . 1 . 2]" 1
110 1 8 TRP HZ3 1 20 TYR HB3 3.861 2.045 5.678 3.742 3.624 3.874 . 0 0 "[ . 1 . 2]" 1
111 1 8 TRP HZ3 1 21 TYR HA 4.359 2.160 6.558 4.307 3.838 4.765 . 0 0 "[ . 1 . 2]" 1
112 1 8 TRP HZ3 1 22 ASN H 3.955 2.066 5.843 3.909 3.474 4.210 . 0 0 "[ . 1 . 2]" 1
113 1 8 TRP HZ3 1 22 ASN HB2 4.068 2.093 6.043 3.393 2.850 3.872 . 0 0 "[ . 1 . 2]" 1
114 1 8 TRP HZ3 1 22 ASN HB3 4.464 2.184 6.745 4.368 3.876 4.707 . 0 0 "[ . 1 . 2]" 1
115 1 8 TRP HZ3 1 29 ASP HB3 3.796 2.030 5.562 3.322 2.377 4.827 . 0 0 "[ . 1 . 2]" 1
116 1 8 TRP HZ3 1 33 PRO HG3 5.154 2.343 7.965 3.832 2.975 4.689 . 0 0 "[ . 1 . 2]" 1
117 1 9 THR H 1 20 TYR HA 3.248 . 4.593 4.435 4.329 4.556 . 0 0 "[ . 1 . 2]" 1
118 1 9 THR H 1 21 TYR H 2.286 . 2.891 2.897 2.891 2.903 0.011 17 0 "[ . 1 . 2]" 1
119 1 9 THR H 1 22 ASN HA 3.728 2.014 5.441 3.921 3.805 4.118 . 0 0 "[ . 1 . 2]" 1
120 1 9 THR H 1 23 ASN HD21 4.358 2.160 6.556 3.973 3.463 5.433 . 0 0 "[ . 1 . 2]" 1
121 1 9 THR H 1 23 ASN HD22 4.215 2.126 6.303 3.665 3.132 4.306 . 0 0 "[ . 1 . 2]" 1
122 1 9 THR HA 1 10 GLU H 2.805 . 3.808 2.184 2.154 2.209 . 0 0 "[ . 1 . 2]" 1
123 1 9 THR HA 1 23 ASN HD22 3.754 2.020 5.488 5.038 4.422 5.495 0.007 12 0 "[ . 1 . 2]" 1
124 1 9 THR HB 1 10 GLU H 3.735 2.016 5.454 4.240 4.165 4.340 . 0 0 "[ . 1 . 2]" 1
125 1 9 THR HB 1 11 TYR QD 4.075 2.094 6.056 4.466 4.097 4.704 . 0 0 "[ . 1 . 2]" 1
126 1 9 THR HB 1 11 TYR QE 3.510 . 5.057 2.978 2.407 3.370 . 0 0 "[ . 1 . 2]" 1
127 1 9 THR HB 1 21 TYR H 3.653 . 5.309 4.213 3.984 4.476 . 0 0 "[ . 1 . 2]" 1
128 1 9 THR HB 1 21 TYR HB2 3.987 2.074 5.900 4.741 4.363 5.002 . 0 0 "[ . 1 . 2]" 1
129 1 9 THR HB 1 21 TYR HB3 4.054 2.089 6.018 3.095 2.719 3.319 . 0 0 "[ . 1 . 2]" 1
130 1 9 THR HB 1 21 TYR QD 4.121 2.105 6.136 3.138 2.099 4.234 0.006 5 0 "[ . 1 . 2]" 1
131 1 9 THR HB 1 23 ASN HD21 4.433 2.177 6.688 4.975 4.513 6.181 . 0 0 "[ . 1 . 2]" 1
132 1 9 THR HB 1 23 ASN HD22 4.216 2.127 6.305 3.661 3.069 4.641 . 0 0 "[ . 1 . 2]" 1
133 1 9 THR MG 1 10 GLU H 3.671 2.001 5.342 2.997 2.772 3.287 . 0 0 "[ . 1 . 2]" 1
134 1 9 THR MG 1 11 TYR H 4.065 2.092 6.038 5.137 4.988 5.353 . 0 0 "[ . 1 . 2]" 1
135 1 9 THR MG 1 11 TYR QD 4.171 2.116 6.225 3.787 3.654 3.935 . 0 0 "[ . 1 . 2]" 1
136 1 9 THR MG 1 11 TYR QE 4.017 2.081 5.954 2.991 2.710 3.210 . 0 0 "[ . 1 . 2]" 1
137 1 9 THR MG 1 21 TYR H 4.186 2.120 6.253 4.775 4.601 5.019 . 0 0 "[ . 1 . 2]" 1
138 1 9 THR MG 1 21 TYR QD 4.324 2.152 6.496 4.600 3.801 5.391 . 0 0 "[ . 1 . 2]" 1
139 1 9 THR MG 1 23 ASN HD22 4.260 2.137 6.383 4.467 3.939 5.287 . 0 0 "[ . 1 . 2]" 1
140 1 10 GLU HA 1 11 TYR H 3.055 . 4.251 2.277 2.248 2.320 . 0 0 "[ . 1 . 2]" 1
141 1 10 GLU HA 1 11 TYR QD 4.159 2.114 6.205 3.591 3.288 3.898 . 0 0 "[ . 1 . 2]" 1
142 1 10 GLU HA 1 11 TYR QE 4.109 2.102 6.116 4.770 4.603 5.021 . 0 0 "[ . 1 . 2]" 1
143 1 10 GLU HA 1 18 THR MG 3.874 2.048 5.701 5.180 3.756 5.689 . 0 0 "[ . 1 . 2]" 1
144 1 10 GLU HA 1 20 TYR HA 4.102 2.100 6.104 2.151 2.093 2.327 0.008 9 0 "[ . 1 . 2]" 1
145 1 10 GLU HA 1 20 TYR QD 3.921 2.059 5.784 4.126 3.874 4.347 . 0 0 "[ . 1 . 2]" 1
146 1 10 GLU HA 1 20 TYR QE 3.993 2.075 5.911 5.470 5.153 5.820 . 0 0 "[ . 1 . 2]" 1
147 1 10 GLU HA 1 21 TYR H 3.705 2.009 5.401 2.678 2.543 2.790 . 0 0 "[ . 1 . 2]" 1
148 1 10 GLU HB2 1 11 TYR H 3.205 . 4.517 2.463 2.390 2.561 . 0 0 "[ . 1 . 2]" 1
149 1 10 GLU HB2 1 11 TYR QD 4.170 2.116 6.224 5.372 5.212 5.517 . 0 0 "[ . 1 . 2]" 1
150 1 10 GLU HB2 1 18 THR HA 3.021 . 4.191 4.207 4.195 4.240 0.049 11 0 "[ . 1 . 2]" 1
151 1 10 GLU HB2 1 18 THR HB 3.588 . 5.194 4.232 4.118 4.390 . 0 0 "[ . 1 . 2]" 1
152 1 10 GLU HB2 1 18 THR MG 3.363 . 4.796 3.492 1.900 3.903 0.030 11 0 "[ . 1 . 2]" 1
153 1 10 GLU HB2 1 20 TYR HA 3.867 2.046 5.688 3.518 3.115 3.774 . 0 0 "[ . 1 . 2]" 1
154 1 10 GLU HB2 1 20 TYR QD 3.612 . 5.236 3.984 3.562 4.382 . 0 0 "[ . 1 . 2]" 1
155 1 10 GLU HB2 1 20 TYR QE 3.222 . 4.547 4.273 3.999 4.550 0.003 12 0 "[ . 1 . 2]" 1
156 1 10 GLU HB2 1 36 LEU MD2 4.529 2.199 6.859 5.873 5.299 6.355 . 0 0 "[ . 1 . 2]" 1
157 1 10 GLU HB3 1 19 TYR H 3.883 2.050 5.716 4.316 4.152 4.517 . 0 0 "[ . 1 . 2]" 1
158 1 10 GLU HB3 1 20 TYR QD 3.685 2.004 5.366 2.459 2.002 2.978 0.003 7 0 "[ . 1 . 2]" 1
159 1 10 GLU HB3 1 20 TYR QE 3.316 . 4.713 3.413 3.186 3.764 . 0 0 "[ . 1 . 2]" 1
160 1 10 GLU HG2 1 11 TYR H 3.439 . 4.930 4.944 4.934 4.957 0.027 13 0 "[ . 1 . 2]" 1
161 1 10 GLU HG2 1 18 THR MG 3.603 . 5.221 4.766 2.935 5.231 0.009 19 0 "[ . 1 . 2]" 1
162 1 10 GLU HG2 1 20 TYR QE 3.356 . 4.783 2.998 2.363 3.869 . 0 0 "[ . 1 . 2]" 1
163 1 10 GLU HG2 1 36 LEU MD2 4.570 2.208 6.932 4.283 3.519 5.009 . 0 0 "[ . 1 . 2]" 1
164 1 10 GLU HG3 1 20 TYR QE 3.556 . 5.137 4.469 3.981 4.948 . 0 0 "[ . 1 . 2]" 1
165 1 11 TYR H 1 12 LYS H 4.016 2.081 5.952 4.316 4.252 4.345 . 0 0 "[ . 1 . 2]" 1
166 1 11 TYR H 1 18 THR HA 2.840 . 3.870 3.919 3.908 3.936 0.066 11 0 "[ . 1 . 2]" 1
167 1 11 TYR H 1 18 THR MG 4.127 2.106 6.147 4.648 2.967 5.088 . 0 0 "[ . 1 . 2]" 1
168 1 11 TYR H 1 19 TYR H 3.618 . 5.247 2.338 2.253 2.433 . 0 0 "[ . 1 . 2]" 1
169 1 11 TYR H 1 20 TYR HA 4.006 2.078 5.934 3.883 3.798 4.012 . 0 0 "[ . 1 . 2]" 1
170 1 11 TYR H 1 20 TYR QD 4.369 2.162 6.576 5.435 5.296 5.671 . 0 0 "[ . 1 . 2]" 1
171 1 11 TYR HA 1 12 LYS H 2.966 . 4.093 2.398 2.379 2.416 . 0 0 "[ . 1 . 2]" 1
172 1 11 TYR HA 1 19 TYR QE 4.285 2.143 6.427 4.824 4.739 4.910 . 0 0 "[ . 1 . 2]" 1
173 1 11 TYR HB2 1 12 LYS H 3.484 . 5.011 3.872 3.735 3.955 . 0 0 "[ . 1 . 2]" 1
174 1 11 TYR HB2 1 19 TYR QD 3.990 2.075 5.905 3.643 3.476 3.859 . 0 0 "[ . 1 . 2]" 1
175 1 11 TYR HB2 1 19 TYR QE 4.089 2.097 6.080 2.983 2.810 3.228 . 0 0 "[ . 1 . 2]" 1
176 1 11 TYR HB3 1 12 LYS H 3.210 . 4.525 2.800 2.750 2.889 . 0 0 "[ . 1 . 2]" 1
177 1 11 TYR HB3 1 19 TYR QE 4.139 2.109 6.168 3.484 3.290 3.658 . 0 0 "[ . 1 . 2]" 1
178 1 11 TYR QD 1 12 LYS H 3.985 2.073 5.897 3.886 3.643 4.233 . 0 0 "[ . 1 . 2]" 1
179 1 11 TYR QD 1 19 TYR QE 4.190 2.129 6.259 3.470 2.788 3.991 . 0 0 "[ . 1 . 2]" 1
180 1 11 TYR QD 1 20 TYR HA 4.239 2.132 6.346 4.890 4.557 5.210 . 0 0 "[ . 1 . 2]" 1
181 1 11 TYR QD 1 21 TYR H 4.252 2.135 6.368 3.967 3.496 4.371 . 0 0 "[ . 1 . 2]" 1
182 1 11 TYR QD 1 21 TYR HB2 3.876 2.048 5.703 2.965 2.584 3.274 . 0 0 "[ . 1 . 2]" 1
183 1 11 TYR QD 1 21 TYR HB3 3.803 2.031 5.575 3.137 2.559 3.717 . 0 0 "[ . 1 . 2]" 1
184 1 11 TYR QD 1 21 TYR QD 3.909 2.056 5.762 4.313 3.717 4.728 . 0 0 "[ . 1 . 2]" 1
185 1 11 TYR QE 1 19 TYR QE 4.271 2.139 6.402 5.107 4.369 5.642 . 0 0 "[ . 1 . 2]" 1
186 1 11 TYR QE 1 20 TYR HA 4.407 2.171 6.643 5.885 5.581 6.192 . 0 0 "[ . 1 . 2]" 1
187 1 11 TYR QE 1 21 TYR H 4.152 2.112 6.192 4.295 3.967 4.585 . 0 0 "[ . 1 . 2]" 1
188 1 11 TYR QE 1 21 TYR HB2 3.571 . 5.164 2.976 2.322 3.486 . 0 0 "[ . 1 . 2]" 1
189 1 11 TYR QE 1 21 TYR HB3 3.614 . 5.241 2.385 2.130 2.738 . 0 0 "[ . 1 . 2]" 1
190 1 11 TYR QE 1 21 TYR QD 3.013 . 4.176 3.340 2.700 3.864 . 0 0 "[ . 1 . 2]" 1
191 1 12 LYS H 1 19 TYR QE 4.428 2.176 6.680 3.887 3.730 4.017 . 0 0 "[ . 1 . 2]" 1
192 1 12 LYS HA 1 13 THR H 3.308 . 4.699 2.120 2.077 2.146 . 0 0 "[ . 1 . 2]" 1
193 1 12 LYS HA 1 17 LYS H 4.192 2.121 6.263 4.138 3.974 4.434 . 0 0 "[ . 1 . 2]" 1
194 1 12 LYS HA 1 18 THR HA 4.131 2.107 6.155 2.311 2.266 2.398 . 0 0 "[ . 1 . 2]" 1
195 1 12 LYS HA 1 18 THR MG 4.432 2.177 6.687 4.984 3.633 5.175 . 0 0 "[ . 1 . 2]" 1
196 1 12 LYS HA 1 19 TYR H 3.800 2.031 5.570 3.517 3.307 3.638 . 0 0 "[ . 1 . 2]" 1
197 1 12 LYS HA 1 19 TYR QD 4.197 2.122 6.272 3.147 2.990 3.304 . 0 0 "[ . 1 . 2]" 1
198 1 12 LYS HA 1 19 TYR QE 4.277 2.141 6.413 2.932 2.781 3.073 . 0 0 "[ . 1 . 2]" 1
199 1 12 LYS HB2 1 13 THR H 3.851 2.042 5.659 4.193 4.128 4.236 . 0 0 "[ . 1 . 2]" 1
200 1 12 LYS HB3 1 13 THR H 3.938 2.063 5.814 3.672 3.568 3.733 . 0 0 "[ . 1 . 2]" 1
201 1 12 LYS HD2 1 17 LYS HB2 3.209 . 4.523 4.550 4.533 4.570 0.047 17 0 "[ . 1 . 2]" 1
202 1 12 LYS HD2 1 17 LYS HB3 3.265 . 4.622 4.632 4.599 4.651 0.029 19 0 "[ . 1 . 2]" 1
203 1 12 LYS HD2 1 18 THR HA 2.129 . 2.629 2.694 2.671 2.709 0.080 3 0 "[ . 1 . 2]" 1
204 1 12 LYS HD3 1 17 LYS HB2 3.238 . 4.575 4.617 4.601 4.644 0.070 11 0 "[ . 1 . 2]" 1
205 1 12 LYS HD3 1 17 LYS HB3 3.245 . 4.587 4.644 4.630 4.656 0.069 5 0 "[ . 1 . 2]" 1
206 1 12 LYS HE2 1 16 GLY HA2 4.021 2.082 5.961 5.241 4.875 5.969 0.008 11 0 "[ . 1 . 2]" 1
207 1 12 LYS HG2 1 13 THR H 3.948 2.065 5.831 3.907 3.778 3.990 . 0 0 "[ . 1 . 2]" 1
208 1 12 LYS HG3 1 13 THR H 3.890 2.052 5.729 2.173 2.043 2.257 0.008 11 0 "[ . 1 . 2]" 1
209 1 12 LYS HG3 1 18 THR HA 2.544 . 3.347 3.419 3.413 3.432 0.085 11 0 "[ . 1 . 2]" 1
210 1 13 THR H 1 16 GLY H 4.232 2.130 6.334 4.314 4.109 4.540 . 0 0 "[ . 1 . 2]" 1
211 1 13 THR H 1 17 LYS H 3.980 2.072 5.888 2.834 2.519 3.041 . 0 0 "[ . 1 . 2]" 1
212 1 13 THR H 1 17 LYS HB2 4.328 2.153 6.504 3.037 2.689 3.303 . 0 0 "[ . 1 . 2]" 1
213 1 13 THR H 1 18 THR HA 2.663 . 3.558 3.586 3.566 3.623 0.065 8 0 "[ . 1 . 2]" 1
214 1 13 THR H 1 19 TYR H 4.375 2.163 6.586 4.896 4.603 5.044 . 0 0 "[ . 1 . 2]" 1
215 1 13 THR H 1 19 TYR QD 4.434 2.177 6.690 3.457 3.183 3.708 . 0 0 "[ . 1 . 2]" 1
216 1 13 THR H 1 19 TYR QE 4.413 2.172 6.655 2.904 2.663 3.210 . 0 0 "[ . 1 . 2]" 1
217 1 13 THR HA 1 14 ALA H 3.734 2.016 5.453 2.294 2.272 2.316 . 0 0 "[ . 1 . 2]" 1
218 1 13 THR HA 1 14 ALA HA 3.946 2.065 5.828 4.260 4.214 4.302 . 0 0 "[ . 1 . 2]" 1
219 1 13 THR HA 1 14 ALA MB 3.475 . 4.995 4.075 4.032 4.105 . 0 0 "[ . 1 . 2]" 1
220 1 13 THR HA 1 19 TYR QE 3.966 2.069 5.863 3.619 3.293 3.957 . 0 0 "[ . 1 . 2]" 1
221 1 13 THR HB 1 14 ALA H 4.268 2.139 6.397 2.688 2.616 2.747 . 0 0 "[ . 1 . 2]" 1
222 1 13 THR HB 1 14 ALA MB 3.992 2.075 5.909 4.073 4.020 4.169 . 0 0 "[ . 1 . 2]" 1
223 1 13 THR MG 1 14 ALA H 3.838 2.039 5.636 3.692 3.535 3.877 . 0 0 "[ . 1 . 2]" 1
224 1 13 THR MG 1 19 TYR H 4.339 2.155 6.523 5.091 4.857 5.374 . 0 0 "[ . 1 . 2]" 1
225 1 13 THR MG 1 19 TYR QD 3.954 2.066 5.841 3.071 2.853 3.375 . 0 0 "[ . 1 . 2]" 1
226 1 13 THR MG 1 19 TYR QE 3.990 2.075 5.906 2.092 2.068 2.297 0.007 12 0 "[ . 1 . 2]" 1
227 1 13 THR MG 1 30 TRP HH2 3.893 2.052 5.734 3.002 2.311 3.574 . 0 0 "[ . 1 . 2]" 1
228 1 13 THR MG 1 30 TRP HZ2 3.855 2.043 5.666 5.092 4.473 5.661 . 0 0 "[ . 1 . 2]" 1
229 1 13 THR MG 1 30 TRP HZ3 3.897 2.053 5.741 2.708 2.198 3.390 . 0 0 "[ . 1 . 2]" 1
230 1 14 ALA H 1 15 ASP H 4.416 2.173 6.659 2.830 2.711 2.901 . 0 0 "[ . 1 . 2]" 1
231 1 14 ALA HA 1 15 ASP H 3.621 . 5.253 3.496 3.476 3.524 . 0 0 "[ . 1 . 2]" 1
232 1 14 ALA MB 1 15 ASP H 3.795 2.030 5.560 2.817 2.737 2.858 . 0 0 "[ . 1 . 2]" 1
233 1 14 ALA MB 1 16 GLY H 3.906 2.055 5.756 4.268 4.224 4.303 . 0 0 "[ . 1 . 2]" 1
234 1 15 ASP H 1 16 GLY H 3.079 . 4.294 2.621 2.534 2.702 . 0 0 "[ . 1 . 2]" 1
235 1 15 ASP HA 1 16 GLY H 3.370 . 4.808 3.278 3.219 3.310 . 0 0 "[ . 1 . 2]" 1
236 1 15 ASP HA 1 16 GLY HA2 4.209 2.125 6.293 4.955 4.904 5.006 . 0 0 "[ . 1 . 2]" 1
237 1 15 ASP HA 1 17 LYS H 3.865 2.046 5.684 5.514 5.078 5.691 0.007 2 0 "[ . 1 . 2]" 1
238 1 15 ASP HB2 1 16 GLY H 3.812 2.034 5.590 4.335 4.115 4.449 . 0 0 "[ . 1 . 2]" 1
239 1 15 ASP HB3 1 16 GLY H 3.757 2.021 5.492 4.385 4.260 4.606 . 0 0 "[ . 1 . 2]" 1
240 1 16 GLY H 1 17 LYS H 2.595 . 3.437 2.513 2.324 2.708 . 0 0 "[ . 1 . 2]" 1
241 1 16 GLY HA2 1 17 LYS H 3.636 . 5.280 2.629 2.479 2.903 . 0 0 "[ . 1 . 2]" 1
242 1 16 GLY HA3 1 17 LYS H 3.516 . 5.066 3.543 3.485 3.558 . 0 0 "[ . 1 . 2]" 1
243 1 17 LYS HA 1 18 THR H 3.041 . 4.227 2.199 2.133 2.235 . 0 0 "[ . 1 . 2]" 1
244 1 17 LYS HA 1 30 TRP HZ3 4.015 2.080 5.950 5.148 4.548 5.352 . 0 0 "[ . 1 . 2]" 1
245 1 17 LYS HB2 1 18 THR H 3.859 2.044 5.674 4.151 4.018 4.258 . 0 0 "[ . 1 . 2]" 1
246 1 17 LYS HB2 1 19 TYR QD 4.480 2.188 6.773 4.182 3.907 4.469 . 0 0 "[ . 1 . 2]" 1
247 1 17 LYS HB2 1 30 TRP HH2 3.565 . 5.154 5.012 4.408 5.160 0.007 13 0 "[ . 1 . 2]" 1
248 1 17 LYS HB2 1 30 TRP HZ3 3.537 . 5.104 3.043 2.690 3.311 . 0 0 "[ . 1 . 2]" 1
249 1 17 LYS HB3 1 18 THR H 3.815 2.034 5.595 3.160 2.981 3.325 . 0 0 "[ . 1 . 2]" 1
250 1 17 LYS HB3 1 30 TRP HE3 3.997 2.076 5.917 2.624 2.270 3.024 . 0 0 "[ . 1 . 2]" 1
251 1 17 LYS HB3 1 30 TRP HH2 3.586 . 5.190 4.974 4.259 5.195 0.004 14 0 "[ . 1 . 2]" 1
252 1 17 LYS HB3 1 30 TRP HZ3 3.576 . 5.172 2.752 2.082 3.113 . 0 0 "[ . 1 . 2]" 1
253 1 17 LYS HD2 1 30 TRP HZ3 4.134 2.108 6.161 4.125 2.505 5.532 . 0 0 "[ . 1 . 2]" 1
254 1 17 LYS HE2 1 30 TRP HE3 4.298 2.146 6.449 4.645 2.638 6.452 0.002 1 0 "[ . 1 . 2]" 1
255 1 17 LYS HE2 1 30 TRP HZ3 4.092 2.098 6.087 4.343 2.443 6.090 0.004 8 0 "[ . 1 . 2]" 1
256 1 17 LYS HG2 1 18 THR H 3.963 2.068 5.858 4.446 4.180 5.116 . 0 0 "[ . 1 . 2]" 1
257 1 17 LYS HG2 1 30 TRP HZ3 3.974 2.071 5.877 4.825 4.165 5.309 . 0 0 "[ . 1 . 2]" 1
258 1 17 LYS HG3 1 18 THR H 3.925 2.060 5.790 5.119 4.444 5.439 . 0 0 "[ . 1 . 2]" 1
259 1 17 LYS HG3 1 30 TRP HZ3 3.989 2.074 5.903 4.549 3.400 5.475 . 0 0 "[ . 1 . 2]" 1
260 1 18 THR HA 1 19 TYR H 2.930 . 4.030 2.320 2.263 2.360 . 0 0 "[ . 1 . 2]" 1
261 1 18 THR HA 1 19 TYR QD 2.300 . 2.916 2.945 2.934 2.955 0.039 11 0 "[ . 1 . 2]" 1
262 1 18 THR HB 1 19 TYR H 3.553 . 5.132 4.053 3.657 4.177 . 0 0 "[ . 1 . 2]" 1
263 1 18 THR HB 1 20 TYR QE 4.246 2.134 6.359 5.027 3.172 5.657 . 0 0 "[ . 1 . 2]" 1
264 1 18 THR MG 1 19 TYR H 3.730 2.015 5.446 3.415 2.377 3.694 . 0 0 "[ . 1 . 2]" 1
265 1 18 THR MG 1 20 TYR QD 4.253 2.135 6.370 3.588 3.130 4.110 . 0 0 "[ . 1 . 2]" 1
266 1 18 THR MG 1 20 TYR QE 4.037 2.085 5.988 2.746 2.296 3.257 . 0 0 "[ . 1 . 2]" 1
267 1 19 TYR H 1 30 TRP HZ3 4.500 2.192 6.808 5.089 4.668 5.461 . 0 0 "[ . 1 . 2]" 1
268 1 19 TYR HA 1 20 TYR H 3.457 . 4.963 2.125 2.097 2.171 . 0 0 "[ . 1 . 2]" 1
269 1 19 TYR HA 1 20 TYR QD 3.859 2.044 5.674 3.425 3.069 3.874 . 0 0 "[ . 1 . 2]" 1
270 1 19 TYR HA 1 20 TYR QE 3.932 2.061 5.803 4.564 4.350 4.871 . 0 0 "[ . 1 . 2]" 1
271 1 19 TYR HA 1 30 TRP HE3 3.992 2.075 5.909 3.569 3.337 4.035 . 0 0 "[ . 1 . 2]" 1
272 1 19 TYR HA 1 30 TRP HZ3 4.058 2.090 6.026 5.232 4.873 5.725 . 0 0 "[ . 1 . 2]" 1
273 1 19 TYR HB2 1 20 TYR H 3.732 2.015 5.450 3.202 3.055 3.291 . 0 0 "[ . 1 . 2]" 1
274 1 19 TYR HB2 1 30 TRP HA 4.669 2.231 7.106 3.483 2.912 4.030 . 0 0 "[ . 1 . 2]" 1
275 1 19 TYR HB2 1 30 TRP HE3 4.379 2.164 6.594 4.165 3.854 4.419 . 0 0 "[ . 1 . 2]" 1
276 1 19 TYR HB2 1 30 TRP HZ3 3.760 2.021 5.498 4.870 4.604 5.284 . 0 0 "[ . 1 . 2]" 1
277 1 19 TYR HB3 1 20 TYR H 3.774 2.025 5.523 4.017 3.975 4.074 . 0 0 "[ . 1 . 2]" 1
278 1 19 TYR HB3 1 30 TRP HA 5.274 2.371 8.177 3.104 2.481 3.793 . 0 0 "[ . 1 . 2]" 1
279 1 19 TYR HB3 1 30 TRP HE3 4.318 2.150 6.486 2.474 2.169 2.682 . 0 0 "[ . 1 . 2]" 1
280 1 19 TYR HB3 1 30 TRP HZ3 3.978 2.072 5.884 3.303 2.970 3.817 . 0 0 "[ . 1 . 2]" 1
281 1 19 TYR QD 1 20 TYR H 4.078 2.095 6.062 4.604 4.422 4.691 . 0 0 "[ . 1 . 2]" 1
282 1 19 TYR QD 1 21 TYR HB2 4.307 2.148 6.466 4.002 3.690 4.402 . 0 0 "[ . 1 . 2]" 1
283 1 19 TYR QD 1 28 SER HB2 3.910 2.056 5.763 3.096 2.050 3.930 0.006 14 0 "[ . 1 . 2]" 1
284 1 19 TYR QD 1 28 SER HB3 3.916 2.058 5.774 3.075 2.050 3.858 0.007 10 0 "[ . 1 . 2]" 1
285 1 19 TYR QD 1 30 TRP HE3 4.452 2.181 6.722 3.410 3.083 3.872 . 0 0 "[ . 1 . 2]" 1
286 1 19 TYR QD 1 30 TRP HZ3 3.763 2.022 5.504 2.956 2.593 3.292 . 0 0 "[ . 1 . 2]" 1
287 1 19 TYR QE 1 21 TYR HB2 4.273 2.140 6.406 4.606 4.320 4.843 . 0 0 "[ . 1 . 2]" 1
288 1 19 TYR QE 1 21 TYR HB3 3.938 2.063 5.813 5.792 5.455 5.825 0.012 17 0 "[ . 1 . 2]" 1
289 1 19 TYR QE 1 21 TYR QD 4.332 2.153 6.351 5.054 4.134 5.829 . 0 0 "[ . 1 . 2]" 1
290 1 19 TYR QE 1 28 SER HB2 4.273 2.140 6.406 4.538 3.675 5.093 . 0 0 "[ . 1 . 2]" 1
291 1 19 TYR QE 1 28 SER HB3 4.255 2.136 6.375 4.505 3.693 5.191 . 0 0 "[ . 1 . 2]" 1
292 1 20 TYR H 1 29 ASP H 4.168 2.116 6.221 3.338 3.113 3.642 . 0 0 "[ . 1 . 2]" 1
293 1 20 TYR H 1 30 TRP HA 4.202 2.123 6.280 2.883 2.643 3.073 . 0 0 "[ . 1 . 2]" 1
294 1 20 TYR HA 1 21 TYR H 3.250 . 4.596 2.111 2.080 2.142 . 0 0 "[ . 1 . 2]" 1
295 1 20 TYR HA 1 21 TYR QD 4.291 2.144 6.438 5.746 5.405 5.858 . 0 0 "[ . 1 . 2]" 1
296 1 20 TYR HB2 1 21 TYR H 3.534 . 5.098 4.233 4.136 4.315 . 0 0 "[ . 1 . 2]" 1
297 1 20 TYR HB2 1 33 PRO HG3 5.236 2.362 8.111 4.278 3.088 5.684 . 0 0 "[ . 1 . 2]" 1
298 1 20 TYR HB3 1 21 TYR H 3.959 2.067 5.850 3.444 3.306 3.555 . 0 0 "[ . 1 . 2]" 1
299 1 20 TYR HB3 1 33 PRO HG2 4.416 2.173 6.659 5.325 3.364 6.580 . 0 0 "[ . 1 . 2]" 1
300 1 20 TYR HB3 1 33 PRO HG3 4.348 2.157 6.538 4.350 2.996 6.424 . 0 0 "[ . 1 . 2]" 1
301 1 20 TYR QD 1 21 TYR H 4.162 2.114 6.210 4.416 4.179 4.603 . 0 0 "[ . 1 . 2]" 1
302 1 20 TYR QD 1 31 GLU H 4.667 2.231 7.103 4.125 3.587 5.038 . 0 0 "[ . 1 . 2]" 1
303 1 20 TYR QD 1 32 LYS H 5.236 2.362 8.111 4.646 3.666 5.073 . 0 0 "[ . 1 . 2]" 1
304 1 20 TYR QD 1 32 LYS HA 4.373 2.163 6.583 3.643 3.124 4.155 . 0 0 "[ . 1 . 2]" 1
305 1 20 TYR QD 1 32 LYS HG2 4.494 2.191 6.796 4.966 3.429 6.395 . 0 0 "[ . 1 . 2]" 1
306 1 20 TYR QD 1 33 PRO HD2 4.060 2.091 6.028 4.186 3.491 4.927 . 0 0 "[ . 1 . 2]" 1
307 1 20 TYR QD 1 33 PRO HG2 5.025 2.314 7.737 5.449 3.503 6.663 . 0 0 "[ . 1 . 2]" 1
308 1 20 TYR QD 1 33 PRO HG3 4.861 2.276 7.446 4.963 3.690 6.396 . 0 0 "[ . 1 . 2]" 1
309 1 20 TYR QD 1 36 LEU MD2 4.810 2.264 7.357 2.740 2.260 3.454 0.004 7 0 "[ . 1 . 2]" 1
310 1 20 TYR QE 1 31 GLU HA 3.986 2.074 5.899 4.177 3.206 5.439 . 0 0 "[ . 1 . 2]" 1
311 1 20 TYR QE 1 32 LYS H 4.677 2.233 7.121 3.980 2.724 4.822 . 0 0 "[ . 1 . 2]" 1
312 1 20 TYR QE 1 32 LYS HA 3.871 2.047 5.694 3.700 3.110 4.489 . 0 0 "[ . 1 . 2]" 1
313 1 20 TYR QE 1 32 LYS HB2 4.210 2.125 6.295 4.673 3.025 5.459 . 0 0 "[ . 1 . 2]" 1
314 1 20 TYR QE 1 32 LYS HB3 4.081 2.096 6.066 4.765 2.829 5.809 . 0 0 "[ . 1 . 2]" 1
315 1 20 TYR QE 1 32 LYS HE2 3.977 2.072 5.883 4.630 2.356 5.801 . 0 0 "[ . 1 . 2]" 1
316 1 20 TYR QE 1 32 LYS HG2 4.284 2.143 6.426 3.891 2.532 5.565 . 0 0 "[ . 1 . 2]" 1
317 1 20 TYR QE 1 32 LYS HG3 4.602 2.216 6.987 3.728 2.898 5.922 . 0 0 "[ . 1 . 2]" 1
318 1 20 TYR QE 1 33 PRO HD2 3.880 2.049 5.711 4.672 3.807 5.714 0.002 10 0 "[ . 1 . 2]" 1
319 1 20 TYR QE 1 33 PRO HD3 4.370 2.162 6.578 4.929 4.175 6.023 . 0 0 "[ . 1 . 2]" 1
320 1 20 TYR QE 1 36 LEU MD2 4.349 2.157 6.540 2.707 2.156 3.212 0.001 3 0 "[ . 1 . 2]" 1
321 1 21 TYR HA 1 22 ASN H 4.260 2.137 6.383 2.139 2.130 2.161 0.007 13 0 "[ . 1 . 2]" 1
322 1 21 TYR HA 1 22 ASN HB2 4.769 2.254 7.284 4.612 4.454 4.747 . 0 0 "[ . 1 . 2]" 1
323 1 21 TYR HB2 1 22 ASN H 4.117 2.104 6.130 4.199 3.984 4.351 . 0 0 "[ . 1 . 2]" 1
324 1 21 TYR HB3 1 22 ASN H 4.124 2.106 6.143 4.414 4.344 4.478 . 0 0 "[ . 1 . 2]" 1
325 1 21 TYR QD 1 22 ASN H 4.177 2.118 6.237 3.804 3.549 3.897 . 0 0 "[ . 1 . 2]" 1
326 1 21 TYR QD 1 23 ASN H 4.308 2.148 6.469 3.851 3.293 4.397 . 0 0 "[ . 1 . 2]" 1
327 1 21 TYR QD 1 23 ASN HA 3.952 2.066 5.838 3.919 3.376 4.645 . 0 0 "[ . 1 . 2]" 1
328 1 21 TYR QD 1 23 ASN HB2 3.997 2.076 5.918 5.010 4.567 5.610 . 0 0 "[ . 1 . 2]" 1
329 1 21 TYR QD 1 23 ASN HB3 3.973 2.071 5.876 5.293 4.862 5.879 0.003 6 0 "[ . 1 . 2]" 1
330 1 21 TYR QD 1 23 ASN HD21 4.295 2.145 6.446 3.742 3.344 5.065 . 0 0 "[ . 1 . 2]" 1
331 1 21 TYR QD 1 23 ASN HD22 4.203 2.124 6.282 3.102 2.827 4.224 . 0 0 "[ . 1 . 2]" 1
332 1 21 TYR QD 1 26 LEU HB2 4.373 2.163 6.584 6.383 5.682 6.588 0.005 3 0 "[ . 1 . 2]" 1
333 1 21 TYR QD 1 26 LEU HB3 4.465 2.184 6.747 5.307 4.468 5.604 . 0 0 "[ . 1 . 2]" 1
334 1 21 TYR QD 1 26 LEU MD1 4.709 2.241 7.177 6.409 5.811 6.653 . 0 0 "[ . 1 . 2]" 1
335 1 21 TYR QD 1 26 LEU MD2 4.554 2.205 6.903 4.803 4.239 5.007 . 0 0 "[ . 1 . 2]" 1
336 1 21 TYR QD 1 26 LEU HG 4.670 2.231 7.108 7.038 6.410 7.116 0.008 13 0 "[ . 1 . 2]" 1
337 1 21 TYR QD 1 28 SER HB2 3.933 2.061 5.804 3.515 2.063 4.491 . 0 0 "[ . 1 . 2]" 1
338 1 21 TYR QD 1 28 SER HB3 3.903 2.054 5.751 3.376 2.280 4.275 . 0 0 "[ . 1 . 2]" 1
339 1 21 TYR QD 1 28 SER HG 4.305 2.147 6.462 3.716 2.145 5.075 0.002 11 0 "[ . 1 . 2]" 1
340 1 21 TYR QE 1 23 ASN H 4.387 2.166 6.607 4.073 3.715 4.337 . 0 0 "[ . 1 . 2]" 1
341 1 21 TYR QE 1 23 ASN HA 3.527 . 5.086 2.527 1.980 3.448 . 0 0 "[ . 1 . 2]" 1
342 1 21 TYR QE 1 23 ASN HB2 3.898 2.053 5.742 4.284 3.919 4.559 . 0 0 "[ . 1 . 2]" 1
343 1 21 TYR QE 1 23 ASN HB3 3.780 2.026 5.534 3.792 3.309 4.264 . 0 0 "[ . 1 . 2]" 1
344 1 21 TYR QE 1 23 ASN HD22 4.504 2.193 6.815 3.325 2.363 4.813 . 0 0 "[ . 1 . 2]" 1
345 1 21 TYR QE 1 26 LEU HA 3.969 2.070 5.868 3.148 2.409 3.403 . 0 0 "[ . 1 . 2]" 1
346 1 21 TYR QE 1 26 LEU HB2 4.306 2.147 6.464 4.963 4.470 5.257 . 0 0 "[ . 1 . 2]" 1
347 1 21 TYR QE 1 26 LEU HB3 4.173 2.117 6.230 3.546 3.003 3.906 . 0 0 "[ . 1 . 2]" 1
348 1 21 TYR QE 1 26 LEU MD1 4.418 2.173 6.662 4.750 4.176 5.007 . 0 0 "[ . 1 . 2]" 1
349 1 21 TYR QE 1 26 LEU MD2 4.142 2.110 6.175 3.170 2.397 3.400 . 0 0 "[ . 1 . 2]" 1
350 1 21 TYR QE 1 26 LEU HG 4.217 2.127 6.306 5.415 4.696 5.569 . 0 0 "[ . 1 . 2]" 1
351 1 21 TYR QE 1 28 SER HB2 4.152 2.112 6.191 5.472 3.869 6.193 0.002 2 0 "[ . 1 . 2]" 1
352 1 21 TYR QE 1 28 SER HB3 4.195 2.122 6.269 5.368 4.350 6.270 0.001 20 0 "[ . 1 . 2]" 1
353 1 22 ASN HA 1 23 ASN H 2.852 . 3.892 2.147 2.127 2.188 . 0 0 "[ . 1 . 2]" 1
354 1 22 ASN HB2 1 23 ASN H 4.132 2.107 6.156 4.280 4.066 4.407 . 0 0 "[ . 1 . 2]" 1
355 1 22 ASN HB2 1 25 THR H 4.078 2.095 6.061 4.823 4.639 5.072 . 0 0 "[ . 1 . 2]" 1
356 1 22 ASN HB3 1 23 ASN H 4.546 2.203 6.890 4.299 4.141 4.387 . 0 0 "[ . 1 . 2]" 1
357 1 22 ASN HB3 1 25 THR H 4.809 2.264 7.355 3.473 3.147 3.749 . 0 0 "[ . 1 . 2]" 1
358 1 22 ASN HD21 1 24 ARG HH21 4.593 2.214 6.973 4.829 2.833 6.915 . 0 0 "[ . 1 . 2]" 1
359 1 22 ASN HD21 1 25 THR H 4.048 2.088 6.007 4.919 4.360 5.447 . 0 0 "[ . 1 . 2]" 1
360 1 22 ASN HD21 1 25 THR MG 4.332 2.154 6.511 4.594 4.210 4.840 . 0 0 "[ . 1 . 2]" 1
361 1 23 ASN H 1 24 ARG H 2.917 . 4.007 2.569 2.291 2.733 . 0 0 "[ . 1 . 2]" 1
362 1 23 ASN H 1 25 THR H 4.094 2.099 6.089 4.485 4.280 4.696 . 0 0 "[ . 1 . 2]" 1
363 1 23 ASN HA 1 24 ARG H 3.675 2.002 5.349 3.330 3.255 3.420 . 0 0 "[ . 1 . 2]" 1
364 1 23 ASN HA 1 25 THR H 3.640 . 5.286 4.026 3.829 4.422 . 0 0 "[ . 1 . 2]" 1
365 1 23 ASN HB2 1 24 ARG H 3.849 2.042 5.656 3.427 2.962 3.661 . 0 0 "[ . 1 . 2]" 1
366 1 23 ASN HB3 1 24 ARG H 3.776 2.025 5.526 4.126 3.861 4.231 . 0 0 "[ . 1 . 2]" 1
367 1 23 ASN HD21 1 24 ARG H 3.982 2.073 5.892 4.677 3.844 5.389 . 0 0 "[ . 1 . 2]" 1
368 1 23 ASN HD22 1 24 ARG H 4.437 2.178 6.695 6.035 5.274 6.319 . 0 0 "[ . 1 . 2]" 1
369 1 24 ARG H 1 25 THR H 3.331 . 4.739 2.441 2.173 2.744 . 0 0 "[ . 1 . 2]" 1
370 1 24 ARG H 1 26 LEU MD1 4.633 2.223 7.043 6.977 6.826 7.050 0.008 5 0 "[ . 1 . 2]" 1
371 1 24 ARG H 1 26 LEU MD2 4.574 2.209 6.939 4.871 4.562 5.170 . 0 0 "[ . 1 . 2]" 1
372 1 24 ARG HA 1 25 THR H 3.544 . 5.117 3.491 3.392 3.555 . 0 0 "[ . 1 . 2]" 1
373 1 24 ARG HB2 1 25 THR H 3.628 . 5.265 3.939 2.563 4.425 . 0 0 "[ . 1 . 2]" 1
374 1 24 ARG HB2 1 25 THR MG 4.018 2.081 5.955 4.498 2.726 5.027 . 0 0 "[ . 1 . 2]" 1
375 1 24 ARG HB3 1 25 THR H 3.694 2.006 5.382 3.227 2.591 4.134 . 0 0 "[ . 1 . 2]" 1
376 1 24 ARG HB3 1 25 THR MG 3.994 2.075 5.912 3.520 2.899 4.934 . 0 0 "[ . 1 . 2]" 1
377 1 24 ARG HE 1 25 THR MG 3.794 2.029 5.559 4.202 3.138 5.566 0.007 8 0 "[ . 1 . 2]" 1
378 1 24 ARG HG2 1 25 THR H 4.128 2.106 6.150 4.172 3.019 5.288 . 0 0 "[ . 1 . 2]" 1
379 1 24 ARG HG3 1 25 THR H 3.821 2.036 5.607 4.735 3.295 5.213 . 0 0 "[ . 1 . 2]" 1
380 1 24 ARG HH21 1 25 THR MG 4.195 2.122 6.268 4.639 3.301 6.272 0.005 12 0 "[ . 1 . 2]" 1
381 1 25 THR H 1 26 LEU MD1 4.307 2.148 6.466 5.694 5.602 5.871 . 0 0 "[ . 1 . 2]" 1
382 1 25 THR H 1 26 LEU MD2 4.027 2.083 5.970 4.231 3.890 4.478 . 0 0 "[ . 1 . 2]" 1
383 1 25 THR H 1 27 GLU HA 3.982 2.073 5.891 5.912 5.900 5.925 0.034 20 0 "[ . 1 . 2]" 1
384 1 25 THR HA 1 26 LEU H 3.691 2.006 5.377 3.153 3.119 3.186 . 0 0 "[ . 1 . 2]" 1
385 1 25 THR HB 1 26 LEU H 3.350 . 4.773 4.446 4.391 4.486 . 0 0 "[ . 1 . 2]" 1
386 1 26 LEU HA 1 27 GLU H 4.320 2.151 6.489 2.971 2.869 3.039 . 0 0 "[ . 1 . 2]" 1
387 1 26 LEU HB2 1 27 GLU H 3.587 . 5.192 4.031 3.953 4.147 . 0 0 "[ . 1 . 2]" 1
388 1 26 LEU HB3 1 27 GLU H 3.842 2.040 5.643 4.477 4.433 4.499 . 0 0 "[ . 1 . 2]" 1
389 1 26 LEU MD1 1 27 GLU H 4.572 2.209 6.936 5.530 5.467 5.605 . 0 0 "[ . 1 . 2]" 1
390 1 26 LEU MD2 1 27 GLU H 4.689 2.236 7.142 4.472 4.398 4.567 . 0 0 "[ . 1 . 2]" 1
391 1 26 LEU HG 1 27 GLU H 3.952 2.066 5.838 4.874 4.786 4.999 . 0 0 "[ . 1 . 2]" 1
392 1 28 SER HA 1 29 ASP H 3.703 2.008 5.397 2.164 2.137 2.193 . 0 0 "[ . 1 . 2]" 1
393 1 28 SER HB2 1 29 ASP H 3.857 2.044 5.670 3.943 3.201 4.331 . 0 0 "[ . 1 . 2]" 1
394 1 28 SER HB3 1 29 ASP H 3.877 2.048 5.705 3.944 3.227 4.319 . 0 0 "[ . 1 . 2]" 1
395 1 29 ASP HB2 1 30 TRP H 4.109 2.102 6.116 3.939 2.651 4.290 . 0 0 "[ . 1 . 2]" 1
396 1 29 ASP HB2 1 30 TRP HD1 4.120 2.105 6.136 5.334 3.705 5.891 . 0 0 "[ . 1 . 2]" 1
397 1 29 ASP HB3 1 30 TRP H 4.116 2.104 6.128 3.795 3.182 3.980 . 0 0 "[ . 1 . 2]" 1
398 1 29 ASP HB3 1 30 TRP HD1 4.293 2.144 6.441 5.475 4.566 5.803 . 0 0 "[ . 1 . 2]" 1
399 1 30 TRP H 1 31 GLU H 3.690 2.005 5.375 2.452 2.301 2.677 . 0 0 "[ . 1 . 2]" 1
400 1 30 TRP HA 1 31 GLU H 4.108 2.102 6.114 3.384 3.256 3.479 . 0 0 "[ . 1 . 2]" 1
401 1 30 TRP HB2 1 31 GLU H 4.170 2.116 6.223 3.217 2.899 3.593 . 0 0 "[ . 1 . 2]" 1
402 1 30 TRP HB3 1 31 GLU H 3.850 2.042 5.658 4.274 4.089 4.464 . 0 0 "[ . 1 . 2]" 1
403 1 30 TRP HD1 1 31 GLU HB2 4.334 2.154 6.514 5.403 4.947 6.531 0.017 20 0 "[ . 1 . 2]" 1
404 1 30 TRP HD1 1 31 GLU HB3 4.362 2.160 6.563 6.510 5.263 6.589 0.026 3 0 "[ . 1 . 2]" 1
405 1 30 TRP HD1 1 31 GLU HG2 4.160 2.114 6.206 4.362 3.620 5.953 . 0 0 "[ . 1 . 2]" 1
406 1 30 TRP HD1 1 31 GLU HG3 4.213 2.126 6.300 5.049 3.650 6.304 0.005 14 0 "[ . 1 . 2]" 1
407 1 31 GLU HA 1 32 LYS H 3.250 . 4.596 2.204 2.088 2.505 . 0 0 "[ . 1 . 2]" 1
408 1 31 GLU HB2 1 32 LYS H 4.268 2.139 6.397 4.015 3.090 4.393 . 0 0 "[ . 1 . 2]" 1
409 1 31 GLU HB3 1 32 LYS H 4.419 2.174 6.664 3.090 2.189 3.909 . 0 0 "[ . 1 . 2]" 1
410 1 31 GLU HG2 1 32 LYS H 4.079 2.095 6.063 4.822 4.127 5.148 . 0 0 "[ . 1 . 2]" 1
411 1 31 GLU HG3 1 32 LYS H 4.117 2.104 6.131 5.014 3.883 5.462 . 0 0 "[ . 1 . 2]" 1
412 1 32 LYS HA 1 33 PRO HD3 3.988 2.074 5.902 2.306 2.067 2.446 0.007 6 0 "[ . 1 . 2]" 1
413 1 32 LYS HA 1 36 LEU MD2 4.371 2.162 6.579 3.924 2.608 5.049 . 0 0 "[ . 1 . 2]" 1
414 1 32 LYS HB2 1 33 PRO HD2 4.160 2.114 6.206 4.111 2.449 4.667 . 0 0 "[ . 1 . 2]" 1
415 1 32 LYS HB2 1 36 LEU MD2 4.090 2.098 6.083 5.076 2.344 6.086 0.004 2 0 "[ . 1 . 2]" 1
416 1 32 LYS HB2 1 37 LYS HA 4.015 2.080 5.950 4.547 3.037 5.755 . 0 0 "[ . 1 . 2]" 1
417 1 32 LYS HE2 1 36 LEU MD2 4.249 2.134 6.363 4.383 3.132 5.894 . 0 0 "[ . 1 . 2]" 1
418 1 32 LYS HE2 1 36 LEU HG 3.559 . 5.142 4.245 2.928 5.149 0.007 13 0 "[ . 1 . 2]" 1
419 1 32 LYS HG2 1 36 LEU HB3 3.624 . 5.258 4.391 3.171 5.262 0.004 14 0 "[ . 1 . 2]" 1
420 1 32 LYS HG2 1 36 LEU MD2 3.786 2.028 5.544 4.086 2.030 5.493 . 0 0 "[ . 1 . 2]" 1
421 1 32 LYS HG2 1 36 LEU HG 4.025 2.083 5.967 4.667 3.064 5.982 0.015 14 0 "[ . 1 . 2]" 1
422 1 32 LYS HG3 1 33 PRO HD2 4.425 2.175 6.675 4.205 2.446 5.144 . 0 0 "[ . 1 . 2]" 1
423 1 32 LYS HG3 1 33 PRO HD3 4.586 2.212 6.960 4.976 4.031 5.531 . 0 0 "[ . 1 . 2]" 1
424 1 32 LYS HG3 1 36 LEU HB3 4.474 2.186 6.762 5.022 2.666 6.635 . 0 0 "[ . 1 . 2]" 1
425 1 32 LYS HG3 1 36 LEU MD2 4.409 2.171 6.647 4.581 2.676 5.923 . 0 0 "[ . 1 . 2]" 1
426 1 32 LYS HG3 1 36 LEU HG 4.937 2.293 7.581 5.342 3.002 7.125 . 0 0 "[ . 1 . 2]" 1
427 1 33 PRO HA 1 34 GLN H 3.438 . 4.929 2.401 2.157 2.664 . 0 0 "[ . 1 . 2]" 1
428 1 33 PRO HA 1 35 GLU H 4.644 2.226 7.062 3.993 3.539 4.445 . 0 0 "[ . 1 . 2]" 1
429 1 33 PRO HB2 1 34 GLN H 4.268 2.139 6.397 2.684 2.131 3.718 0.008 10 0 "[ . 1 . 2]" 1
430 1 33 PRO HB2 1 35 GLU HG2 4.234 2.131 6.338 4.049 2.252 5.594 . 0 0 "[ . 1 . 2]" 1
431 1 33 PRO HB3 1 34 GLN H 4.165 2.115 6.215 3.515 3.289 3.735 . 0 0 "[ . 1 . 2]" 1
432 1 33 PRO HB3 1 35 GLU H 4.333 2.154 6.513 3.947 3.136 4.326 . 0 0 "[ . 1 . 2]" 1
433 1 33 PRO HB3 1 35 GLU HB3 4.607 2.217 6.997 6.302 5.475 6.702 . 0 0 "[ . 1 . 2]" 1
434 1 33 PRO HB3 1 35 GLU HG2 4.553 2.205 6.901 5.399 3.896 6.653 . 0 0 "[ . 1 . 2]" 1
435 1 33 PRO HB3 1 36 LEU H 4.445 2.180 6.711 5.023 3.838 5.556 . 0 0 "[ . 1 . 2]" 1
436 1 33 PRO HD2 1 36 LEU MD2 4.817 2.265 7.369 3.032 2.274 3.899 . 0 0 "[ . 1 . 2]" 1
437 1 33 PRO HD3 1 36 LEU HB3 4.138 2.109 6.167 4.153 3.383 4.849 . 0 0 "[ . 1 . 2]" 1
438 1 33 PRO HD3 1 36 LEU MD2 4.286 2.143 6.429 4.148 3.337 5.044 . 0 0 "[ . 1 . 2]" 1
439 1 33 PRO HG2 1 34 GLN H 5.274 2.371 8.177 4.408 3.834 5.506 . 0 0 "[ . 1 . 2]" 1
440 1 33 PRO HG2 1 36 LEU H 4.766 2.254 7.279 3.067 2.593 4.554 . 0 0 "[ . 1 . 2]" 1
441 1 33 PRO HG2 1 36 LEU HB2 4.304 2.147 6.462 2.931 2.343 4.230 . 0 0 "[ . 1 . 2]" 1
442 1 33 PRO HG2 1 36 LEU MD2 4.739 2.247 7.230 3.688 2.612 5.294 . 0 0 "[ . 1 . 2]" 1
443 1 33 PRO HG3 1 34 GLN H 5.123 2.336 7.910 5.070 4.673 5.487 . 0 0 "[ . 1 . 2]" 1
444 1 33 PRO HG3 1 36 LEU MD2 4.920 2.289 7.550 4.162 3.289 5.980 . 0 0 "[ . 1 . 2]" 1
445 1 34 GLN H 1 35 GLU H 4.362 2.160 6.563 2.571 2.350 2.702 . 0 0 "[ . 1 . 2]" 1
446 1 34 GLN HA 1 35 GLU H 4.071 2.093 6.048 3.412 3.336 3.495 . 0 0 "[ . 1 . 2]" 1
447 1 34 GLN HA 1 37 LYS HB3 3.457 . 4.963 2.979 1.948 4.000 0.004 20 0 "[ . 1 . 2]" 1
448 1 34 GLN HA 1 37 LYS HD2 5.104 2.332 7.877 5.002 2.327 6.496 0.005 7 0 "[ . 1 . 2]" 1
449 1 34 GLN HA 1 37 LYS HG2 4.229 2.130 6.328 4.591 2.362 5.805 . 0 0 "[ . 1 . 2]" 1
450 1 34 GLN HA 1 37 LYS HG3 4.575 2.210 6.940 4.569 3.054 6.001 . 0 0 "[ . 1 . 2]" 1
451 1 34 GLN HB2 1 35 GLU H 3.963 2.068 5.857 4.109 3.936 4.200 . 0 0 "[ . 1 . 2]" 1
452 1 34 GLN HG2 1 35 GLU H 4.453 2.182 6.725 4.760 3.913 5.492 . 0 0 "[ . 1 . 2]" 1
453 1 35 GLU H 1 36 LEU H 4.254 2.135 6.372 2.524 2.339 2.687 . 0 0 "[ . 1 . 2]" 1
454 1 35 GLU HA 1 36 LEU H 4.033 2.084 5.981 3.334 3.186 3.485 . 0 0 "[ . 1 . 2]" 1
455 1 35 GLU HB2 1 36 LEU MD2 3.792 2.029 5.555 5.228 4.893 5.568 0.013 13 0 "[ . 1 . 2]" 1
456 1 35 GLU HG2 1 36 LEU H 4.349 2.158 6.541 4.877 3.163 5.732 . 0 0 "[ . 1 . 2]" 1
457 1 35 GLU HG2 1 36 LEU HB2 4.233 2.131 6.336 5.891 3.108 6.343 0.007 18 0 "[ . 1 . 2]" 1
458 1 36 LEU H 1 37 LYS H 3.467 . 4.980 2.040 1.952 2.203 0.002 10 0 "[ . 1 . 2]" 1
459 1 36 LEU HA 1 37 LYS H 3.753 2.020 5.487 3.071 2.865 3.356 . 0 0 "[ . 1 . 2]" 1
460 1 36 LEU HB3 1 37 LYS H 4.352 2.158 6.545 3.849 3.363 4.079 . 0 0 "[ . 1 . 2]" 1
461 1 36 LEU MD1 1 37 LYS H 4.797 2.261 7.333 4.564 4.404 4.767 . 0 0 "[ . 1 . 2]" 1
462 1 36 LEU MD2 1 37 LYS H 5.033 2.315 7.751 5.391 5.064 5.511 . 0 0 "[ . 1 . 2]" 1
463 1 36 LEU HG 1 37 LYS H 4.321 2.151 6.491 4.757 4.575 4.892 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 6:04:09 PM GMT (wattos1)