NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
553167 |
2lty   |
18501 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lty
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 552
_Distance_constraint_stats_list.Viol_count 745
_Distance_constraint_stats_list.Viol_total 218.475
_Distance_constraint_stats_list.Viol_max 0.062
_Distance_constraint_stats_list.Viol_rms 0.0028
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0098
_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 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 3 LEU 0.528 0.020 24 0 "[ . 1 . 2 . 3]"
1 4 PRO 0.326 0.020 24 0 "[ . 1 . 2 . 3]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 6 GLY 0.011 0.008 16 0 "[ . 1 . 2 . 3]"
1 7 TRP 0.587 0.023 11 0 "[ . 1 . 2 . 3]"
1 8 GLU 1.366 0.038 14 0 "[ . 1 . 2 . 3]"
1 9 GLU 1.145 0.062 1 0 "[ . 1 . 2 . 3]"
1 10 ARG 1.130 0.062 1 0 "[ . 1 . 2 . 3]"
1 11 LYS 0.081 0.011 6 0 "[ . 1 . 2 . 3]"
1 12 ASP 0.084 0.011 6 0 "[ . 1 . 2 . 3]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 LYS 0.620 0.031 30 0 "[ . 1 . 2 . 3]"
1 15 GLY 0.620 0.031 30 0 "[ . 1 . 2 . 3]"
1 16 ARG 0.038 0.011 24 0 "[ . 1 . 2 . 3]"
1 17 THR 0.005 0.004 6 0 "[ . 1 . 2 . 3]"
1 18 TYR 0.382 0.017 18 0 "[ . 1 . 2 . 3]"
1 19 TYR 0.167 0.009 24 0 "[ . 1 . 2 . 3]"
1 20 VAL 1.292 0.038 14 0 "[ . 1 . 2 . 3]"
1 21 ASN 0.197 0.012 23 0 "[ . 1 . 2 . 3]"
1 22 HIS 0.058 0.011 3 0 "[ . 1 . 2 . 3]"
1 23 ASN 0.454 0.023 11 0 "[ . 1 . 2 . 3]"
1 24 ASN 0.215 0.021 15 0 "[ . 1 . 2 . 3]"
1 25 ARG 0.078 0.012 24 0 "[ . 1 . 2 . 3]"
1 26 THR 0.083 0.012 19 0 "[ . 1 . 2 . 3]"
1 27 THR 0.261 0.017 18 0 "[ . 1 . 2 . 3]"
1 28 THR 0.061 0.009 1 0 "[ . 1 . 2 . 3]"
1 29 TRP 0.717 0.020 11 0 "[ . 1 . 2 . 3]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 32 PRO 0.018 0.005 1 0 "[ . 1 . 2 . 3]"
1 33 ILE 0.032 0.013 26 0 "[ . 1 . 2 . 3]"
1 34 GLY 0.032 0.013 26 0 "[ . 1 . 2 . 3]"
2 1 GLU 0.095 0.013 19 0 "[ . 1 . 2 . 3]"
2 2 LEU 0.002 0.002 13 0 "[ . 1 . 2 . 3]"
2 3 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 4 SER 0.022 0.006 4 0 "[ . 1 . 2 . 3]"
2 5 PRO 0.936 0.022 30 0 "[ . 1 . 2 . 3]"
2 6 PRO 0.800 0.022 30 0 "[ . 1 . 2 . 3]"
2 7 PRO 0.626 0.016 4 0 "[ . 1 . 2 . 3]"
2 8 PRO 0.098 0.012 3 0 "[ . 1 . 2 . 3]"
2 9 TYR 0.001 0.001 30 0 "[ . 1 . 2 . 3]"
2 10 SER 0.045 0.008 29 0 "[ . 1 . 2 . 3]"
2 11 ARG 0.344 0.027 18 0 "[ . 1 . 2 . 3]"
2 12 TYR 0.465 0.027 18 0 "[ . 1 . 2 . 3]"
2 13 PRO 0.210 0.022 26 0 "[ . 1 . 2 . 3]"
2 14 MET 0.194 0.012 26 0 "[ . 1 . 2 . 3]"
2 15 ASP 0.142 0.012 26 0 "[ . 1 . 2 . 3]"
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 PRO HA 1 2 GLY H 3.616 . 5.243 2.157 2.137 2.209 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 1 PRO HB2 1 2 GLY H 4.568 2.208 6.927 3.756 3.527 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 1 PRO HB3 1 2 GLY H 4.281 2.142 6.421 3.774 3.271 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 1 PRO HD3 1 2 GLY H 4.673 2.232 7.114 5.302 4.951 5.732 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 1 PRO HG2 1 2 GLY H 4.597 2.215 6.979 5.397 5.131 5.683 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 1 PRO HG3 1 2 GLY H 4.371 2.163 6.580 5.485 4.986 5.728 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 2 GLY H 1 3 LEU H 4.620 2.220 7.021 4.409 3.839 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 GLY HA2 1 3 LEU H 3.840 2.040 5.639 2.180 2.115 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 2 GLY HA3 1 3 LEU H 3.808 2.033 5.584 3.190 2.912 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 3 LEU H 1 4 PRO HD2 4.454 2.182 6.727 5.135 4.985 5.220 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 3 LEU H 1 4 PRO HD3 4.673 2.232 7.114 4.261 3.946 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 3 LEU HA 1 4 PRO HD2 3.655 . 5.313 2.473 2.392 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 3 LEU HA 1 4 PRO HD3 3.851 2.042 5.659 2.033 2.023 2.040 0.020 24 0 "[ . 1 . 2 . 3]" 1
14 1 3 LEU HA 1 19 TYR QD 4.920 2.289 7.550 6.236 5.896 6.593 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 3 LEU HA 1 19 TYR QE 4.920 2.289 7.550 6.481 6.090 6.990 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 3 LEU HA 1 32 PRO HG3 4.628 2.222 7.035 6.130 5.149 6.704 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 3 LEU HB2 1 4 PRO HD2 4.324 2.152 6.496 4.690 4.456 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 3 LEU MD1 1 4 PRO HD2 4.236 2.132 6.341 4.604 4.274 5.025 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 LEU MD1 1 7 TRP HD1 4.804 2.262 7.345 7.234 6.759 7.349 0.004 28 0 "[ . 1 . 2 . 3]" 1
20 1 3 LEU HG 1 4 PRO HD2 4.096 2.099 6.094 3.169 2.677 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 LEU HG 1 4 PRO HD3 4.516 2.196 6.835 3.962 3.660 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 3 LEU HG 1 7 TRP HD1 4.612 2.218 7.006 6.818 6.142 7.011 0.005 26 0 "[ . 1 . 2 . 3]" 1
23 1 3 LEU HG 1 8 GLU HA 3.815 2.034 5.595 5.465 4.475 5.611 0.016 13 0 "[ . 1 . 2 . 3]" 1
24 1 3 LEU HG 1 9 GLU H 4.154 2.112 6.195 4.849 4.112 5.442 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 LEU HG 1 9 GLU HB2 4.359 2.160 6.558 5.101 4.511 5.936 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 3 LEU HG 1 9 GLU HB3 3.959 2.067 5.850 5.440 5.041 5.860 0.010 14 0 "[ . 1 . 2 . 3]" 1
27 1 3 LEU HG 1 9 GLU HG3 3.637 . 5.281 3.385 2.749 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 3 LEU HG 1 19 TYR QD 4.017 2.081 5.953 5.566 5.354 5.739 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 3 LEU HG 1 19 TYR QE 4.018 2.081 5.955 5.943 5.559 5.964 0.009 24 0 "[ . 1 . 2 . 3]" 1
30 1 3 LEU HG 1 32 PRO HG3 4.612 2.218 7.006 6.718 6.080 7.012 0.005 1 0 "[ . 1 . 2 . 3]" 1
31 1 4 PRO HA 1 5 SER H 3.721 2.013 5.430 2.206 2.170 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 4 PRO HA 1 7 TRP HD1 4.225 2.129 6.320 4.934 4.629 5.246 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 4 PRO HA 1 7 TRP HE1 4.829 2.268 7.389 6.332 6.118 6.609 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 PRO HB2 1 5 SER H 4.225 2.129 6.320 3.211 2.983 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 4 PRO HB2 1 7 TRP HD1 3.772 2.024 5.520 2.716 2.435 3.057 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 PRO HB2 1 7 TRP HE1 4.481 2.188 6.774 3.650 3.432 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 4 PRO HB3 1 5 SER H 4.351 2.158 6.544 3.799 3.574 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 4 PRO HB3 1 7 TRP HD1 3.496 . 5.032 4.368 4.130 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 PRO HB3 1 7 TRP HE1 4.288 2.143 6.433 4.841 4.632 5.127 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 PRO HB3 1 7 TRP HZ2 4.481 2.188 6.774 6.698 6.437 6.779 0.005 23 0 "[ . 1 . 2 . 3]" 1
41 1 4 PRO HD2 1 7 TRP HE1 4.654 2.228 7.081 5.640 4.926 6.257 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 PRO HD2 1 32 PRO HB2 4.575 2.210 6.940 4.938 4.147 5.528 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 PRO HD2 1 32 PRO HG3 4.429 2.176 6.683 4.770 4.132 5.079 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 PRO HD3 1 5 SER H 4.188 2.120 6.255 5.757 5.732 5.811 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 4 PRO HD3 1 32 PRO HB2 4.673 2.232 7.114 4.204 3.640 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 4 PRO HD3 1 32 PRO HG3 4.367 2.162 6.572 4.843 4.084 5.211 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 4 PRO HG2 1 5 SER H 4.663 2.230 7.097 4.922 4.657 5.181 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 4 PRO HG2 1 7 TRP HE1 4.597 2.215 6.979 3.469 2.978 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 4 PRO HG2 1 32 PRO HG3 4.663 2.230 7.097 4.463 3.776 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 4 PRO HG3 1 7 TRP HD1 4.058 2.090 6.025 4.161 3.931 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 4 PRO HG3 1 7 TRP HE1 4.504 2.193 6.814 4.305 3.992 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 4 PRO HG3 1 7 TRP HZ2 4.862 2.276 7.448 5.413 4.988 5.797 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 4 PRO HG3 1 31 ARG HE 5.151 2.343 7.959 6.150 4.951 7.450 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 4 PRO HG3 1 32 PRO HG3 4.429 2.176 6.683 4.500 3.619 5.210 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 5 SER HB2 1 6 GLY H 4.541 2.202 6.880 3.935 3.181 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 5 SER HB3 1 6 GLY H 4.504 2.193 6.814 3.649 3.172 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 6 GLY H 1 7 TRP H 4.534 2.200 6.868 2.342 2.193 2.573 0.008 16 0 "[ . 1 . 2 . 3]" 1
58 1 6 GLY HA2 1 7 TRP H 4.110 2.102 6.118 3.401 3.339 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 6 GLY HA2 1 7 TRP HD1 4.673 2.232 7.114 4.880 4.608 5.232 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 6 GLY HA3 1 7 TRP H 4.225 2.129 6.320 3.055 2.949 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 7 TRP H 1 8 GLU H 4.510 2.195 6.825 4.440 4.331 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 7 TRP HA 1 8 GLU H 3.630 . 5.268 2.176 2.097 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 7 TRP HA 1 21 ASN HA 4.190 2.121 6.260 2.156 2.109 2.771 0.012 23 0 "[ . 1 . 2 . 3]" 1
64 1 7 TRP HA 1 22 HIS H 4.196 2.122 6.269 3.316 3.108 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 7 TRP HA 1 22 HIS HB2 4.899 2.284 7.514 5.213 4.631 5.819 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 7 TRP HA 1 22 HIS HD2 4.292 2.144 6.439 4.102 3.365 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 7 TRP HA 1 23 ASN H 4.747 2.249 7.245 4.935 4.686 5.452 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 7 TRP HA 1 23 ASN HB3 4.920 2.289 7.550 6.630 5.774 7.567 0.017 2 0 "[ . 1 . 2 . 3]" 1
69 1 7 TRP HB2 1 8 GLU H 4.327 2.152 6.503 4.292 4.117 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 7 TRP HB3 1 8 GLU H 4.056 2.090 6.021 3.345 3.039 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 7 TRP HD1 1 21 ASN HA 4.713 2.241 7.185 4.457 3.821 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 7 TRP HD1 1 21 ASN HD21 4.487 2.189 6.784 4.608 2.755 5.926 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 7 TRP HD1 1 23 ASN HA 4.582 2.211 6.953 6.955 6.792 6.976 0.023 11 0 "[ . 1 . 2 . 3]" 1
74 1 7 TRP HD1 1 23 ASN HB2 4.759 2.252 7.266 4.770 4.549 5.120 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 7 TRP HD1 1 23 ASN HB3 4.230 2.130 6.331 5.217 4.417 6.246 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 7 TRP HD1 1 32 PRO HG3 4.785 2.258 7.312 6.046 5.389 6.855 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 7 TRP HE1 1 21 ASN HB2 4.589 2.213 6.966 3.769 3.366 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 7 TRP HE1 1 21 ASN HB3 5.060 2.321 7.798 4.755 3.473 5.722 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 7 TRP HE1 1 21 ASN HD21 4.663 2.230 7.097 3.476 2.227 4.354 0.003 18 0 "[ . 1 . 2 . 3]" 1
80 1 7 TRP HE1 1 32 PRO HB2 4.785 2.258 7.312 5.348 3.923 7.125 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 7 TRP HE1 1 32 PRO HB3 4.880 2.280 7.479 5.698 4.816 6.799 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 7 TRP HE3 1 8 GLU H 4.180 2.118 6.241 4.455 3.925 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 7 TRP HE3 1 19 TYR HA 4.379 2.164 6.595 3.988 3.682 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 7 TRP HE3 1 19 TYR HB2 3.703 2.008 5.397 3.539 2.974 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 7 TRP HE3 1 19 TYR QD 4.329 2.153 6.506 3.653 3.358 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 7 TRP HE3 1 21 ASN HA 4.392 2.168 6.617 4.472 3.927 4.945 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 7 TRP HE3 1 21 ASN HB2 4.313 2.149 6.476 3.748 3.156 5.182 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 7 TRP HE3 1 21 ASN HB3 4.637 2.224 7.050 5.114 3.719 6.156 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 7 TRP HE3 1 22 HIS H 4.589 2.213 6.966 6.508 5.995 6.973 0.007 13 0 "[ . 1 . 2 . 3]" 1
90 1 7 TRP HE3 1 28 THR H 4.547 2.203 6.891 5.361 5.019 5.849 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 7 TRP HE3 1 28 THR MG 4.446 2.180 6.712 4.191 3.752 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 7 TRP HE3 1 32 PRO HG3 4.459 2.183 6.736 2.813 2.547 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 7 TRP HH2 1 21 ASN HB3 4.363 2.161 6.565 4.758 4.202 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 7 TRP HH2 1 28 THR H 4.663 2.230 7.097 5.271 4.403 5.941 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 7 TRP HH2 1 28 THR HB 4.597 2.215 6.979 4.529 3.894 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 7 TRP HH2 1 28 THR MG 4.036 2.085 5.986 2.775 2.358 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 7 TRP HH2 1 32 PRO HB2 4.528 2.199 6.857 4.681 3.849 5.880 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 7 TRP HH2 1 32 PRO HB3 4.459 2.183 6.736 3.371 2.726 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 7 TRP HH2 1 32 PRO HG3 4.628 2.222 7.035 3.888 3.616 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 7 TRP HZ2 1 21 ASN HA 4.713 2.241 7.185 5.909 4.875 6.538 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 7 TRP HZ2 1 21 ASN HB2 4.014 2.080 5.948 3.694 3.108 5.007 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 7 TRP HZ2 1 21 ASN HB3 4.331 2.153 6.509 4.361 3.928 5.140 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 7 TRP HZ2 1 21 ASN HD21 3.909 2.056 5.762 3.648 2.325 5.680 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 7 TRP HZ2 1 28 THR HB 4.724 2.244 7.204 6.826 6.195 7.209 0.005 18 0 "[ . 1 . 2 . 3]" 1
105 1 7 TRP HZ2 1 28 THR MG 4.400 2.169 6.631 4.812 4.368 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 7 TRP HZ2 1 32 PRO HB2 4.371 2.163 6.580 4.649 3.395 6.343 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 7 TRP HZ2 1 32 PRO HB3 4.335 2.154 6.516 4.138 3.337 5.354 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 7 TRP HZ2 1 32 PRO HG2 4.703 2.239 7.166 5.882 5.183 6.590 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 7 TRP HZ2 1 32 PRO HG3 4.476 2.187 6.764 4.774 4.203 5.166 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 7 TRP HZ3 1 21 ASN HB3 4.541 2.202 6.880 5.114 4.479 5.951 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 7 TRP HZ3 1 32 PRO HG3 4.492 2.191 6.794 2.795 2.413 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 8 GLU H 1 20 VAL H 3.157 . 4.432 3.400 3.004 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 8 GLU H 1 20 VAL MG1 4.494 2.191 6.797 5.087 4.759 5.381 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 8 GLU H 1 20 VAL MG2 4.637 2.224 7.050 2.776 2.224 3.316 0.000 16 0 "[ . 1 . 2 . 3]" 1
115 1 8 GLU H 1 21 ASN HA 4.429 2.176 6.683 3.396 2.934 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 8 GLU H 1 22 HIS H 4.620 2.220 7.021 4.346 3.720 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 8 GLU HA 1 9 GLU H 3.333 . 4.743 2.105 2.075 2.140 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 8 GLU HA 1 20 VAL HB 4.682 2.234 7.131 7.147 7.135 7.165 0.034 10 0 "[ . 1 . 2 . 3]" 1
119 1 8 GLU HB2 1 20 VAL MG1 4.794 2.260 7.328 4.909 4.515 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 8 GLU HB2 1 20 VAL MG2 5.453 2.412 8.494 2.386 2.374 2.397 0.038 14 0 "[ . 1 . 2 . 3]" 1
121 1 8 GLU HB3 1 20 VAL MG1 4.599 2.215 6.983 5.840 5.181 6.239 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 8 GLU HB3 1 20 VAL MG2 4.713 2.241 7.185 3.499 2.791 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 8 GLU HB3 1 22 HIS HD2 4.174 2.117 6.231 5.388 4.391 6.230 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 8 GLU HG2 1 20 VAL MG1 4.927 2.291 7.563 7.199 5.646 7.497 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 8 GLU HG2 1 20 VAL MG2 4.867 2.277 7.458 4.624 2.994 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 8 GLU HG2 1 22 HIS HD2 4.343 2.156 6.530 4.178 2.333 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 8 GLU HG3 1 20 VAL MG1 4.663 2.230 7.097 6.488 5.768 7.098 0.001 12 0 "[ . 1 . 2 . 3]" 1
128 1 8 GLU HG3 1 20 VAL MG2 4.717 2.242 7.191 3.841 3.075 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 8 GLU HG3 1 22 HIS HD2 4.020 2.082 5.958 2.895 2.217 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 8 GLU HG3 2 12 TYR QD 4.871 2.278 7.463 7.118 5.954 7.469 0.005 21 0 "[ . 1 . 2 . 3]" 1
131 1 9 GLU H 1 10 ARG H 4.420 2.174 6.666 4.253 4.069 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 9 GLU HA 1 10 ARG H 3.438 . 4.930 2.194 2.142 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 9 GLU HA 1 10 ARG HA 4.201 2.123 6.279 4.368 4.330 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 9 GLU HA 1 10 ARG HB3 4.713 2.241 7.185 5.639 5.515 5.730 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 9 GLU HA 1 10 ARG HG3 4.288 2.143 6.433 3.669 3.438 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 9 GLU HA 1 19 TYR QD 4.258 2.137 6.380 3.272 2.736 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 9 GLU HA 1 19 TYR QE 4.388 2.166 6.610 4.456 3.709 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 9 GLU HA 1 20 VAL H 4.309 2.148 6.470 3.533 3.153 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 9 GLU HB2 1 10 ARG H 4.401 2.170 6.633 4.155 4.005 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 9 GLU HB2 1 10 ARG HG3 4.230 2.130 6.331 4.742 4.589 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 9 GLU HB3 1 10 ARG H 4.096 2.099 6.094 3.843 3.578 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 9 GLU HB3 1 10 ARG HG3 3.907 2.056 5.759 5.344 5.199 5.484 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 9 GLU HG3 1 10 ARG H 3.738 2.016 5.459 5.122 5.014 5.243 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 9 GLU HG3 1 10 ARG HG3 3.456 . 4.960 4.998 4.986 5.022 0.062 1 0 "[ . 1 . 2 . 3]" 1
145 1 9 GLU HG3 1 19 TYR HA 4.747 2.249 7.245 5.182 4.803 5.566 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 9 GLU HG3 1 19 TYR QD 4.253 2.135 6.372 4.033 3.767 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 9 GLU HG3 1 19 TYR QE 3.848 2.042 5.654 4.897 4.283 5.261 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 10 ARG H 1 11 LYS H 4.470 2.185 6.755 4.250 4.034 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 10 ARG H 1 11 LYS HA 4.612 2.218 7.006 4.806 4.704 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 10 ARG H 1 18 TYR H 4.169 2.116 6.222 3.940 3.517 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 10 ARG H 1 19 TYR HA 4.292 2.144 6.439 3.312 3.005 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 10 ARG H 1 19 TYR QD 4.659 2.229 7.089 4.887 4.262 5.205 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 10 ARG H 1 20 VAL H 4.663 2.230 7.097 4.050 3.786 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 10 ARG H 1 20 VAL MG1 4.856 2.274 7.437 4.861 4.502 5.490 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 10 ARG HA 1 11 LYS H 3.571 . 5.164 2.081 2.043 2.174 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 10 ARG HA 1 20 VAL MG1 4.935 2.293 7.577 6.861 6.521 7.458 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 10 ARG HB2 1 20 VAL MG1 4.703 2.239 7.166 4.593 4.113 5.187 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 10 ARG HB3 1 11 LYS H 4.141 2.109 6.173 3.350 2.992 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 10 ARG HB3 1 18 TYR QE 4.708 2.240 7.175 3.610 2.965 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 10 ARG HB3 1 20 VAL MG1 4.829 2.268 7.389 6.000 5.457 6.584 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 10 ARG HB3 1 20 VAL MG2 4.976 2.302 7.649 5.022 4.621 5.446 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 10 ARG HD2 1 11 LYS H 4.682 2.234 7.131 6.489 6.010 6.717 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 10 ARG HD2 1 18 TYR QE 4.862 2.276 7.448 4.495 2.639 5.738 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 10 ARG HD2 1 20 VAL MG1 4.534 2.200 6.868 5.483 3.864 6.769 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 10 ARG HD3 1 11 LYS H 4.799 2.261 7.337 6.129 5.334 6.510 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 10 ARG HD3 1 18 TYR QE 4.547 2.203 6.891 3.412 2.606 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 10 ARG HD3 1 20 VAL MG1 4.481 2.188 6.774 4.792 3.818 6.373 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 10 ARG HG2 1 11 LYS H 3.837 2.039 5.635 4.339 4.107 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 10 ARG HG2 1 18 TYR QE 4.682 2.234 7.131 5.156 4.475 5.928 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 10 ARG HG2 1 20 VAL MG1 4.735 2.247 7.224 6.622 6.086 7.139 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 10 ARG HG3 1 11 LYS H 4.379 2.164 6.595 4.914 4.827 4.981 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 10 ARG HG3 1 18 TYR QE 4.821 2.266 7.375 4.740 4.148 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 10 ARG HG3 1 20 VAL MG1 4.466 2.185 6.748 5.523 4.960 6.151 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 11 LYS H 1 12 ASP H 4.654 2.228 7.081 4.331 4.202 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 11 LYS H 1 18 TYR QE 4.778 2.257 7.300 5.828 5.378 6.134 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 11 LYS HA 1 12 ASP H 3.523 . 5.079 2.130 2.103 2.167 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 11 LYS HA 1 17 THR H 4.554 2.205 6.903 4.777 4.536 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 11 LYS HA 1 17 THR HA 4.288 2.143 6.433 2.404 2.140 2.622 0.004 6 0 "[ . 1 . 2 . 3]" 1
179 1 11 LYS HA 1 17 THR HB 4.759 2.252 7.266 4.549 3.999 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 11 LYS HA 1 17 THR MG 5.372 2.393 7.035 3.044 2.488 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 11 LYS HA 1 18 TYR H 3.915 2.057 5.773 3.476 3.224 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 11 LYS HA 1 18 TYR HB3 4.397 2.169 6.625 6.495 6.273 6.633 0.008 9 0 "[ . 1 . 2 . 3]" 1
183 1 11 LYS HA 1 18 TYR QE 4.682 2.234 7.131 4.991 4.328 5.351 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 11 LYS HB2 1 12 ASP H 4.182 2.119 6.245 4.274 4.116 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 11 LYS HB3 1 12 ASP H 4.620 2.220 7.021 3.455 3.231 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 11 LYS HD2 1 12 ASP H 4.265 2.138 6.391 5.927 5.097 6.402 0.011 6 0 "[ . 1 . 2 . 3]" 1
187 1 11 LYS HD3 1 12 ASP H 4.112 2.103 6.122 5.527 4.977 6.130 0.009 11 0 "[ . 1 . 2 . 3]" 1
188 1 11 LYS HE3 1 17 THR MG 4.670 2.231 7.108 4.449 3.298 5.199 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 11 LYS HG2 1 12 ASP H 4.504 2.193 6.814 5.394 5.159 5.626 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 11 LYS HG2 1 17 THR HA 4.620 2.220 7.021 4.435 4.026 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 11 LYS HG3 1 12 ASP H 4.465 2.184 6.745 4.444 4.195 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 11 LYS HG3 1 17 THR HA 4.207 2.125 6.289 2.829 2.313 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 11 LYS HG3 1 18 TYR H 4.510 2.195 6.825 4.549 4.100 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 12 ASP H 1 15 GLY H 4.604 2.216 6.992 4.399 4.182 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 12 ASP H 1 16 ARG H 3.961 2.068 5.853 2.856 2.669 3.181 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 12 ASP H 1 17 THR HA 4.048 2.088 6.007 3.526 2.986 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 12 ASP H 1 18 TYR QD 4.821 2.266 7.375 4.604 4.101 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 12 ASP H 1 18 TYR QE 4.582 2.211 6.953 3.917 3.244 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 12 ASP HB2 1 13 ALA MB 4.886 2.281 7.491 5.599 5.564 5.634 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 12 ASP HB2 1 14 LYS H 4.654 2.228 7.081 4.672 4.494 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 12 ASP HB2 1 18 TYR QD 4.967 2.300 7.634 4.140 3.839 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 12 ASP HB2 1 18 TYR QE 4.601 2.216 6.986 2.312 2.210 2.758 0.006 3 0 "[ . 1 . 2 . 3]" 1
203 1 12 ASP HB3 1 13 ALA MB 4.976 2.302 7.649 4.795 4.588 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 12 ASP HB3 1 18 TYR QE 4.554 2.205 6.903 3.338 2.899 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 13 ALA HA 1 14 LYS H 4.119 2.104 6.134 3.490 3.423 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 13 ALA HA 1 15 GLY H 4.221 2.128 6.315 3.379 3.292 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 14 LYS H 1 15 GLY H 3.564 . 5.152 2.504 2.374 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 14 LYS H 1 15 GLY HA2 4.384 2.165 6.602 4.803 4.671 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 14 LYS H 1 15 GLY HA3 4.476 2.187 6.764 5.176 5.075 5.227 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 14 LYS H 1 16 ARG H 4.166 2.115 6.217 3.836 3.524 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 14 LYS H 1 16 ARG HD2 4.942 2.294 7.590 6.023 5.339 6.964 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 14 LYS HA 1 15 GLY H 4.024 2.082 5.965 3.314 3.300 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 14 LYS HB2 1 15 GLY H 4.420 2.174 6.666 3.317 3.218 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 14 LYS HB2 1 16 ARG H 4.363 2.161 6.565 3.754 3.281 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 14 LYS HB3 1 15 GLY H 4.363 2.161 6.565 4.267 4.175 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 14 LYS HB3 1 16 ARG H 4.261 2.137 6.386 5.259 4.761 5.566 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 14 LYS HB3 1 16 ARG HE 4.575 2.210 6.940 5.995 5.256 6.372 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 14 LYS HD2 1 15 GLY H 4.397 2.169 6.625 4.104 3.925 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 14 LYS HD2 1 15 GLY HA2 4.339 2.155 6.523 6.334 6.163 6.495 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 14 LYS HD3 1 15 GLY H 4.292 2.144 6.439 4.121 3.983 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 14 LYS HD3 1 15 GLY HA2 4.058 2.090 6.025 6.046 6.040 6.056 0.031 30 0 "[ . 1 . 2 . 3]" 1
222 1 14 LYS HG2 1 15 GLY H 4.285 2.143 6.427 5.433 5.375 5.468 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 14 LYS HG3 1 15 GLY H 4.541 2.202 6.880 4.724 4.559 4.855 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 15 GLY H 1 16 ARG H 3.826 2.037 5.616 2.354 2.207 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 15 GLY HA2 1 16 ARG H 4.255 2.136 6.374 2.624 2.503 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 15 GLY HA3 1 16 ARG H 4.302 2.147 6.457 3.519 3.485 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 15 GLY HA3 1 16 ARG HB3 4.449 2.181 6.718 6.374 6.290 6.423 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 16 ARG HA 1 17 THR H 3.410 . 4.880 2.175 2.145 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 16 ARG HA 1 17 THR HB 4.420 2.174 6.666 5.674 4.841 5.766 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 16 ARG HA 1 29 TRP HZ3 4.646 2.226 7.065 3.473 2.404 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 16 ARG HB3 1 17 THR H 4.188 2.120 6.255 3.727 3.518 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 16 ARG HD3 1 29 TRP HH2 4.465 2.184 6.745 5.116 3.588 6.191 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 16 ARG HD3 1 29 TRP HZ3 4.492 2.191 6.794 5.790 4.511 6.755 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 16 ARG HE 1 18 TYR HB3 4.180 2.118 6.241 5.936 5.525 6.251 0.011 24 0 "[ . 1 . 2 . 3]" 1
235 1 16 ARG HG2 1 17 THR H 4.306 2.147 6.464 5.107 4.739 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 16 ARG HG3 1 17 THR H 4.213 2.126 6.300 5.732 5.437 5.879 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 16 ARG HG3 1 18 TYR QE 4.821 2.266 7.375 4.108 3.554 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 17 THR HA 1 18 TYR H 3.269 . 4.630 2.249 2.183 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 17 THR HB 1 18 TYR H 4.363 2.161 6.565 3.988 3.817 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 17 THR MG 1 18 TYR H 4.154 2.112 6.195 4.117 3.082 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 17 THR MG 1 19 TYR QD 4.681 2.234 7.128 5.666 4.194 6.133 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 17 THR MG 1 19 TYR QE 4.430 2.176 6.684 4.616 3.321 5.213 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 17 THR MG 1 29 TRP HA 5.372 2.393 8.350 6.046 4.830 6.676 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 18 TYR H 1 20 VAL MG1 4.886 2.281 7.491 5.082 4.764 5.457 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 18 TYR H 1 20 VAL MG2 5.319 2.381 8.256 5.786 5.335 6.348 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 18 TYR H 1 27 THR MG 4.580 2.211 6.948 6.950 6.844 6.965 0.017 18 0 "[ . 1 . 2 . 3]" 1
247 1 18 TYR HA 1 19 TYR H 3.187 . 4.485 2.107 2.073 2.146 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 18 TYR HA 1 19 TYR QD 4.280 2.141 6.418 3.402 3.090 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 18 TYR HA 1 19 TYR QE 4.355 2.159 6.551 4.777 4.457 5.109 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 18 TYR HA 1 29 TRP HE3 3.976 2.071 5.881 3.270 2.732 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 18 TYR HB2 1 29 TRP HA 4.589 2.213 6.966 5.553 4.977 6.195 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 18 TYR QD 2 6 PRO HA 5.042 2.317 7.766 5.286 4.821 5.745 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 18 TYR QD 2 7 PRO HD2 5.181 2.350 8.013 4.115 3.728 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 18 TYR QD 2 7 PRO HG3 5.025 2.313 7.736 5.936 4.617 6.471 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 18 TYR QD 2 13 PRO HB2 4.785 2.258 7.312 4.064 3.097 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 18 TYR QD 2 13 PRO HB3 4.616 2.219 7.013 3.465 2.853 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 18 TYR QE 1 20 VAL MG1 4.529 2.199 6.859 3.475 3.042 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 18 TYR QE 1 20 VAL MG2 5.009 2.310 7.708 3.446 2.789 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 18 TYR QE 1 27 THR HB 4.633 2.223 7.042 6.536 6.061 7.046 0.003 5 0 "[ . 1 . 2 . 3]" 1
260 1 18 TYR QE 2 7 PRO HB2 4.862 2.276 7.448 6.104 5.650 6.703 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 18 TYR QE 2 7 PRO HB3 4.730 2.245 7.214 7.101 6.521 7.224 0.010 26 0 "[ . 1 . 2 . 3]" 1
262 1 18 TYR QE 2 7 PRO HD2 4.837 2.270 7.403 5.164 4.751 5.949 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 18 TYR QE 2 7 PRO HG2 4.620 2.220 7.021 4.940 4.243 5.304 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 18 TYR QE 2 7 PRO HG3 4.578 2.210 6.946 6.337 5.288 6.692 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 19 TYR H 1 20 VAL H 4.454 2.182 6.727 4.325 4.223 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 19 TYR H 1 20 VAL MG1 4.776 2.256 7.296 4.242 4.025 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 19 TYR HA 1 20 VAL H 3.730 2.015 5.445 2.174 2.118 2.197 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 19 TYR HA 1 20 VAL HB 4.597 2.215 6.979 5.747 5.658 5.795 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 19 TYR HA 1 20 VAL MG1 4.654 2.364 7.081 3.950 3.802 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 19 TYR HA 1 20 VAL MG2 5.245 2.364 7.870 3.647 3.476 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 19 TYR HA 1 28 THR MG 4.906 2.286 7.526 4.951 4.645 5.354 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 19 TYR HB2 1 20 VAL H 4.320 2.151 6.489 4.341 4.250 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 19 TYR HB2 1 28 THR H 3.962 2.068 5.856 2.949 2.778 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 19 TYR HB2 1 28 THR MG 4.406 2.171 6.641 2.484 2.200 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 19 TYR HB3 1 20 VAL H 4.258 2.137 6.380 3.646 3.495 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 19 TYR HB3 1 28 THR MG 4.207 2.125 6.289 3.605 3.279 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 19 TYR HB3 1 32 PRO HG3 4.785 2.258 7.312 3.297 2.765 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 19 TYR QD 1 20 VAL H 4.516 2.196 6.835 4.665 4.406 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 19 TYR QD 1 28 THR H 4.175 2.117 6.234 4.113 3.806 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 19 TYR QD 1 28 THR HB 4.889 2.282 7.496 5.922 5.633 6.295 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 19 TYR QD 1 28 THR MG 4.547 2.203 6.891 3.346 3.048 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 19 TYR QD 1 29 TRP HA 4.498 2.192 6.804 3.026 2.625 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 19 TYR QD 1 30 THR H 4.673 2.232 7.114 4.155 3.799 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 19 TYR QD 1 30 THR HA 4.697 2.238 7.157 5.019 4.595 5.599 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 19 TYR QD 1 30 THR HB 4.931 2.292 7.570 5.982 5.316 6.727 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 19 TYR QD 1 30 THR MG 4.985 2.304 7.665 5.699 4.946 6.022 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 19 TYR QD 1 31 ARG HB2 4.507 2.194 6.820 5.459 4.967 6.624 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 19 TYR QD 1 31 ARG HB3 4.608 2.217 6.999 6.265 5.945 6.505 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 19 TYR QD 1 32 PRO HD2 4.516 2.196 6.523 3.254 2.816 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 19 TYR QD 1 32 PRO HD3 4.719 2.243 7.194 3.518 3.265 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 19 TYR QE 1 28 THR H 4.271 2.140 6.403 6.324 6.013 6.412 0.009 1 0 "[ . 1 . 2 . 3]" 1
292 1 19 TYR QE 1 28 THR MG 4.347 2.157 6.538 4.842 4.417 5.256 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 19 TYR QE 1 29 TRP HA 4.601 2.216 6.986 3.778 3.272 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 19 TYR QE 1 30 THR H 4.753 2.251 7.255 5.022 4.530 5.561 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 19 TYR QE 1 30 THR HA 4.473 2.186 6.760 4.517 3.976 5.489 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 19 TYR QE 1 30 THR HB 4.730 2.245 7.214 6.315 5.913 6.906 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 19 TYR QE 1 30 THR MG 4.906 2.286 7.526 5.674 5.297 6.200 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 19 TYR QE 1 31 ARG HB2 4.146 2.111 6.181 4.143 3.607 5.872 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 19 TYR QE 1 31 ARG HB3 4.345 2.156 6.533 5.203 4.919 5.605 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 19 TYR QE 1 32 PRO HD3 4.444 2.179 6.709 4.284 3.951 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 20 VAL H 1 21 ASN H 4.692 2.237 7.148 4.433 4.299 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 20 VAL HA 1 21 ASN H 3.355 . 4.782 2.161 2.059 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 20 VAL HA 1 27 THR HA 4.271 2.140 6.403 2.366 2.213 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 20 VAL HA 1 27 THR MG 4.242 2.133 6.351 4.111 3.838 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 20 VAL HB 1 21 ASN H 4.799 2.261 7.337 3.083 2.673 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 20 VAL HB 1 22 HIS H 4.225 2.129 6.320 5.362 5.119 5.758 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 20 VAL HB 1 22 HIS HD2 4.401 2.170 6.633 5.699 4.790 6.594 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 20 VAL MG1 1 21 ASN H 4.739 2.248 7.231 3.762 3.643 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 20 VAL MG1 1 22 HIS HD2 4.906 2.286 7.526 6.603 5.872 7.409 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 20 VAL MG1 1 22 HIS HE1 4.829 2.268 7.389 6.692 5.296 7.307 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 20 VAL MG1 1 27 THR H 5.133 2.338 7.927 4.521 4.257 4.754 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 20 VAL MG1 1 27 THR HA 5.014 2.311 7.717 3.279 2.762 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 20 VAL MG1 1 27 THR MG 4.484 2.189 6.780 2.819 2.566 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 20 VAL MG1 1 28 THR HA 4.834 2.269 7.398 6.131 5.829 6.343 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 20 VAL MG1 2 9 TYR HA 4.967 2.300 7.634 4.569 4.082 4.895 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 20 VAL MG2 1 21 ASN H 4.431 2.176 6.686 3.971 3.677 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 20 VAL MG2 1 22 HIS H 4.768 2.254 7.281 4.791 4.448 5.293 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 20 VAL MG2 1 22 HIS HD2 4.587 2.212 6.961 4.236 3.494 5.139 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 20 VAL MG2 1 22 HIS HE1 4.335 2.154 6.516 4.995 3.574 5.547 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 20 VAL MG2 1 27 THR HA 5.060 2.321 7.798 5.039 4.723 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 20 VAL MG2 1 27 THR MG 4.608 2.217 6.999 5.080 4.837 5.338 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 20 VAL MG2 2 9 TYR HA 4.692 2.237 7.148 6.131 5.813 6.412 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 20 VAL MG2 2 9 TYR HB3 4.834 2.269 7.398 6.091 5.585 6.456 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 20 VAL MG2 2 10 SER H 4.985 2.304 7.665 7.037 6.695 7.448 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 20 VAL MG2 2 11 ARG HA 4.892 2.283 7.502 7.317 7.008 7.512 0.010 10 0 "[ . 1 . 2 . 3]" 1
326 1 21 ASN H 1 22 HIS H 4.425 2.175 6.674 4.366 4.253 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 21 ASN H 1 26 THR H 4.411 2.172 6.649 2.959 2.536 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 21 ASN H 1 27 THR HA 4.207 2.125 6.289 3.350 2.840 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 21 ASN HA 1 22 HIS H 3.679 2.003 5.355 2.130 2.095 2.183 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 21 ASN HA 1 22 HIS HD2 4.476 2.187 6.764 4.135 3.575 5.189 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 21 ASN HA 1 23 ASN H 4.255 2.136 6.374 3.523 3.397 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 21 ASN HA 1 23 ASN HD21 4.654 2.228 7.081 6.707 4.114 7.088 0.007 25 0 "[ . 1 . 2 . 3]" 1
333 1 21 ASN HB2 1 22 HIS H 4.654 2.228 7.081 4.147 2.903 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 21 ASN HB3 1 22 HIS H 4.516 2.196 6.835 4.236 4.097 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 21 ASN HB3 1 26 THR H 4.406 2.171 6.641 2.691 2.170 4.550 0.000 17 0 "[ . 1 . 2 . 3]" 1
336 1 21 ASN HB3 1 26 THR MG 5.372 2.393 8.350 3.288 2.382 4.199 0.012 19 0 "[ . 1 . 2 . 3]" 1
337 1 21 ASN HD21 1 23 ASN H 4.735 2.247 7.224 3.796 2.484 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 21 ASN HD21 1 23 ASN HB2 4.568 2.208 6.927 4.169 2.950 5.358 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 21 ASN HD21 1 26 THR H 4.454 2.182 6.727 4.579 3.694 5.927 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 22 HIS H 1 23 ASN H 3.978 2.072 5.884 2.418 2.299 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 22 HIS H 1 24 ASN H 4.604 2.216 6.992 4.861 4.407 5.358 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 22 HIS HA 1 23 ASN H 4.148 2.111 6.186 3.403 3.351 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 22 HIS HA 1 24 ASN H 4.045 2.087 6.003 4.845 4.215 5.423 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 22 HIS HA 1 25 ARG HA 3.700 2.008 5.392 3.385 2.967 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 22 HIS HB2 1 23 ASN H 4.498 2.192 6.804 3.211 3.001 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 22 HIS HB3 1 23 ASN H 4.406 2.171 6.641 4.004 3.856 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 22 HIS HD2 1 23 ASN H 4.724 2.244 7.204 5.045 4.762 5.558 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 22 HIS HE1 2 9 TYR QE 4.862 2.276 7.448 4.141 2.481 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 22 HIS HE1 2 11 ARG HB2 4.449 2.181 6.718 6.356 4.886 6.729 0.011 3 0 "[ . 1 . 2 . 3]" 1
350 1 22 HIS HE1 2 11 ARG HB3 4.735 2.247 7.224 5.657 4.669 6.746 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 23 ASN H 1 24 ASN H 3.903 2.054 5.751 2.844 2.477 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 23 ASN H 1 25 ARG H 4.275 2.140 6.409 3.502 3.333 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 23 ASN HA 1 24 ASN H 4.351 2.158 6.544 3.557 3.489 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 23 ASN HB3 1 24 ASN H 4.316 2.150 6.483 2.398 2.144 3.339 0.006 12 0 "[ . 1 . 2 . 3]" 1
355 1 23 ASN HB3 1 24 ASN HD21 4.243 2.133 6.352 5.329 4.357 6.373 0.021 15 0 "[ . 1 . 2 . 3]" 1
356 1 23 ASN HB3 1 24 ASN HD22 4.942 2.294 7.590 5.429 4.404 6.925 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 23 ASN HB3 1 25 ARG H 4.439 2.178 6.700 4.318 3.907 5.250 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 24 ASN H 1 25 ARG H 3.806 2.032 5.579 2.097 2.021 2.329 0.012 24 0 "[ . 1 . 2 . 3]" 1
359 1 24 ASN HA 1 25 ARG H 4.388 2.166 6.610 3.357 3.334 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 24 ASN HA 1 26 THR MG 5.151 2.343 7.959 5.975 4.699 7.157 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 24 ASN HB2 1 25 ARG H 4.355 2.159 6.551 4.165 4.046 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 24 ASN HB2 1 26 THR MG 5.004 2.309 7.699 4.624 2.792 6.011 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 24 ASN HB3 1 25 ARG H 4.415 2.173 6.657 4.257 4.015 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 24 ASN HB3 1 26 THR MG 4.886 2.281 7.491 5.081 3.814 6.312 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 24 ASN HD21 1 25 ARG H 3.877 2.049 5.706 5.155 2.042 5.515 0.007 22 0 "[ . 1 . 2 . 3]" 1
366 1 24 ASN HD21 1 26 THR MG 4.302 2.147 6.457 3.953 2.385 5.347 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 24 ASN HD22 1 26 THR MG 4.589 2.213 6.966 2.798 2.203 4.129 0.010 27 0 "[ . 1 . 2 . 3]" 1
368 1 25 ARG HA 1 26 THR H 3.978 2.072 5.884 2.457 2.311 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 25 ARG HA 1 26 THR MG 5.133 2.338 7.927 5.040 4.326 5.849 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 25 ARG HB3 1 26 THR H 4.612 2.218 7.006 4.273 4.188 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 26 THR H 1 27 THR H 4.575 2.210 6.940 4.350 4.275 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 26 THR HA 1 27 THR H 3.511 . 5.057 2.270 2.217 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 26 THR HA 1 27 THR MG 4.592 2.213 6.970 3.514 3.215 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 26 THR HB 1 27 THR H 3.547 . 5.122 4.095 3.984 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 26 THR MG 1 27 THR H 4.444 2.179 6.709 2.943 2.226 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 27 THR H 1 28 THR H 4.487 2.189 6.784 4.415 4.306 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 27 THR HA 1 28 THR H 3.616 . 5.243 2.260 2.203 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 27 THR HA 1 28 THR MG 4.850 2.273 7.427 3.425 3.200 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 27 THR HB 1 28 THR H 3.858 2.044 5.671 3.918 3.824 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 27 THR HB 2 6 PRO HB3 4.415 2.173 6.657 4.701 4.268 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 27 THR HB 2 6 PRO HG2 4.575 2.210 6.940 4.731 4.264 5.341 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 27 THR HB 2 6 PRO HG3 4.813 2.265 7.362 5.988 5.795 6.223 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 27 THR MG 1 28 THR H 4.461 2.183 6.739 3.849 3.669 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 27 THR MG 2 9 TYR H 4.607 2.217 6.997 3.461 3.006 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 27 THR MG 2 9 TYR HA 4.163 2.114 6.211 4.408 4.006 4.783 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 27 THR MG 2 9 TYR HB2 4.575 2.210 6.940 2.634 2.208 3.210 0.001 30 0 "[ . 1 . 2 . 3]" 1
387 1 27 THR MG 2 9 TYR HB3 4.504 2.193 6.814 3.363 2.981 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 27 THR MG 2 10 SER HA 4.834 2.269 7.398 7.278 7.025 7.406 0.008 29 0 "[ . 1 . 2 . 3]" 1
389 1 28 THR H 2 6 PRO HB3 4.646 2.226 7.065 5.294 4.680 5.928 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 28 THR H 2 6 PRO HG2 4.654 2.228 7.081 3.619 3.365 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 28 THR H 2 6 PRO HG3 4.813 2.265 7.362 4.942 4.702 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 28 THR HA 1 29 TRP H 3.557 . 5.139 2.279 2.244 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 28 THR HA 1 29 TRP HD1 4.510 2.195 6.825 4.759 4.319 5.069 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 28 THR HA 2 6 PRO HB2 4.252 2.135 6.369 4.750 4.015 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 28 THR HA 2 6 PRO HD2 4.371 2.163 6.580 3.491 2.991 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 28 THR HA 2 6 PRO HD3 4.604 2.216 6.992 3.873 3.393 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 28 THR HA 2 6 PRO HG2 4.161 2.114 6.208 2.720 2.112 3.288 0.002 30 0 "[ . 1 . 2 . 3]" 1
398 1 28 THR HA 2 6 PRO HG3 4.942 2.294 7.590 3.985 3.445 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 28 THR HB 1 29 TRP H 4.105 2.101 6.110 3.957 3.905 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 28 THR MG 1 30 THR H 4.287 2.143 6.431 2.709 2.521 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 28 THR MG 1 30 THR HA 4.813 2.265 7.362 4.479 4.225 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 28 THR MG 1 30 THR HB 4.483 2.188 6.777 3.579 2.508 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 29 TRP H 2 6 PRO HB2 4.510 2.195 6.825 6.042 5.480 6.510 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 29 TRP H 2 6 PRO HB3 4.747 2.249 7.245 6.048 5.414 6.612 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 29 TRP H 2 6 PRO HD3 4.646 2.226 7.065 3.864 3.434 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 29 TRP H 2 6 PRO HG2 4.401 2.170 6.633 3.739 3.145 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 29 TRP HA 1 30 THR H 4.216 2.127 6.305 3.381 3.318 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 29 TRP HB3 1 30 THR H 4.028 2.083 5.972 4.159 3.936 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 29 TRP HD1 2 1 GLU HB2 4.568 2.208 6.927 4.628 3.699 5.376 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 29 TRP HD1 2 5 PRO HA 4.309 2.148 6.470 3.933 3.572 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 29 TRP HD1 2 5 PRO HG2 4.692 2.237 7.148 7.123 6.774 7.155 0.006 3 0 "[ . 1 . 2 . 3]" 1
412 1 29 TRP HD1 2 6 PRO HA 4.654 2.228 7.081 6.502 6.082 6.737 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 29 TRP HD1 2 6 PRO HB2 4.772 2.255 7.289 6.979 6.540 7.291 0.002 20 0 "[ . 1 . 2 . 3]" 1
414 1 29 TRP HD1 2 6 PRO HD2 3.756 2.021 5.491 4.760 4.452 5.057 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 29 TRP HD1 2 6 PRO HD3 3.715 2.011 5.418 3.351 2.990 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 29 TRP HD1 2 6 PRO HG2 4.510 2.195 6.825 5.140 4.678 5.494 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 29 TRP HE1 2 1 GLU HB2 4.813 2.265 7.362 5.273 4.636 5.520 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 29 TRP HE1 2 1 GLU HG3 4.813 2.265 7.362 6.265 4.015 7.364 0.002 7 0 "[ . 1 . 2 . 3]" 1
419 1 29 TRP HE1 2 3 GLU HG2 4.663 2.230 7.097 5.874 5.465 6.136 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 29 TRP HE1 2 4 SER HB2 4.880 2.280 7.479 5.391 4.956 6.145 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 29 TRP HE1 2 4 SER HB3 4.899 2.284 7.514 5.617 5.026 6.307 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 29 TRP HE1 2 5 PRO HA 4.188 2.120 6.255 2.408 2.145 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 29 TRP HE1 2 5 PRO HB2 4.772 2.255 7.289 5.178 4.903 5.339 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 29 TRP HE1 2 6 PRO HA 4.747 2.249 7.245 4.557 4.290 4.780 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 29 TRP HE1 2 6 PRO HB2 4.862 2.276 7.448 5.881 5.664 6.165 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 29 TRP HE1 2 6 PRO HB3 4.942 2.294 7.590 5.680 5.431 5.967 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 29 TRP HE1 2 6 PRO HD2 4.498 2.192 6.804 3.981 3.845 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 29 TRP HE1 2 6 PRO HD3 4.425 2.175 6.674 2.312 2.171 2.553 0.004 27 0 "[ . 1 . 2 . 3]" 1
429 1 29 TRP HE1 2 6 PRO HG2 4.920 2.289 7.550 4.801 4.586 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 29 TRP HE1 2 6 PRO HG3 4.899 2.284 7.514 3.773 3.578 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 29 TRP HE3 2 6 PRO HG3 4.772 2.255 7.289 3.948 3.672 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 29 TRP HH2 2 1 GLU HB2 4.439 2.178 6.700 6.507 6.040 6.714 0.013 19 0 "[ . 1 . 2 . 3]" 1
433 1 29 TRP HH2 2 6 PRO HA 4.275 2.140 6.409 3.259 2.988 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 29 TRP HH2 2 6 PRO HG3 4.747 2.249 7.245 3.848 3.436 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 29 TRP HH2 2 7 PRO HB2 4.547 2.203 6.891 6.890 6.750 6.905 0.014 19 0 "[ . 1 . 2 . 3]" 1
436 1 29 TRP HH2 2 7 PRO HD2 4.534 2.200 6.868 4.196 3.197 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 29 TRP HZ2 2 4 SER HB2 4.554 2.205 6.903 4.919 4.260 5.874 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 29 TRP HZ2 2 4 SER HB3 4.049 2.088 6.011 5.491 4.372 6.017 0.006 4 0 "[ . 1 . 2 . 3]" 1
439 1 29 TRP HZ2 2 5 PRO HG2 4.692 2.237 7.148 7.158 7.151 7.168 0.020 11 0 "[ . 1 . 2 . 3]" 1
440 1 29 TRP HZ2 2 5 PRO HG3 4.351 2.158 6.544 6.532 6.421 6.550 0.007 5 0 "[ . 1 . 2 . 3]" 1
441 1 29 TRP HZ2 2 6 PRO HD3 4.225 2.129 6.320 3.449 3.265 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 29 TRP HZ2 2 6 PRO HG3 4.516 2.196 6.835 3.388 3.126 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 29 TRP HZ2 2 7 PRO HD2 4.309 2.148 6.470 5.008 4.129 5.269 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 30 THR HA 1 31 ARG H 3.102 . 4.334 2.235 2.153 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 30 THR MG 1 31 ARG H 4.149 2.111 6.187 2.909 2.191 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 30 THR MG 1 31 ARG HB2 4.431 2.176 6.686 4.944 3.382 6.075 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 31 ARG HA 1 32 PRO HD2 1.750 . 2.250 2.081 1.946 2.205 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 31 ARG HA 1 32 PRO HD3 3.457 . 4.962 2.340 2.197 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 31 ARG HB2 1 32 PRO HD2 3.819 2.164 5.602 4.172 3.939 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 31 ARG HB3 1 32 PRO HD2 3.931 2.061 5.801 4.409 3.221 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 31 ARG HB3 1 32 PRO HD3 4.347 2.157 6.536 4.983 4.327 5.183 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 31 ARG HD2 1 32 PRO HD3 4.459 2.183 6.736 3.501 3.176 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 31 ARG HD3 1 32 PRO HD3 4.454 2.182 6.727 5.211 4.886 5.469 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 31 ARG HG2 1 32 PRO HD2 3.912 2.057 5.767 4.531 4.244 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 31 ARG HG2 1 32 PRO HD3 4.129 2.107 6.151 5.664 5.026 5.871 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 31 ARG HG3 1 32 PRO HD3 4.077 2.095 6.059 4.737 4.284 5.916 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 31 ARG QH2 1 32 PRO HG3 4.942 2.294 7.590 4.726 4.001 5.968 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 32 PRO HA 1 33 ILE H 3.364 . 4.797 2.158 2.133 2.194 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 32 PRO HB2 1 33 ILE H 4.240 2.132 6.347 3.677 3.368 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 32 PRO HB3 1 33 ILE H 4.174 2.117 6.231 4.120 3.915 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 32 PRO HD2 1 33 ILE H 4.747 2.249 7.245 5.414 5.180 5.588 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 32 PRO HD3 1 33 ILE H 4.724 2.244 7.204 5.571 5.404 5.655 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 32 PRO HG2 1 33 ILE H 4.673 2.232 7.114 5.002 4.812 5.211 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 32 PRO HG3 1 33 ILE H 4.747 2.249 7.245 5.703 5.575 5.796 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 33 ILE H 1 34 GLY H 4.392 2.168 6.617 2.413 2.190 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 33 ILE HA 1 34 GLY H 3.528 . 5.088 3.535 3.347 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 33 ILE HB 1 34 GLY H 4.221 2.128 6.315 3.017 2.115 4.270 0.013 26 0 "[ . 1 . 2 . 3]" 1
468 1 33 ILE MD 1 34 GLY H 4.357 2.159 6.555 4.062 2.155 4.904 0.005 6 0 "[ . 1 . 2 . 3]" 1
469 1 33 ILE HG12 1 34 GLY H 4.528 2.199 6.857 4.329 2.924 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 33 ILE HG13 1 34 GLY H 4.620 2.220 7.021 4.250 2.220 5.189 0.000 11 0 "[ . 1 . 2 . 3]" 1
471 2 1 GLU HA 2 2 LEU H 3.684 2.004 5.364 3.419 3.175 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
472 2 1 GLU HB2 2 2 LEU H 4.131 2.107 6.155 3.314 2.105 3.909 0.002 13 0 "[ . 1 . 2 . 3]" 1
473 2 1 GLU HB3 2 2 LEU H 4.568 2.208 6.927 4.043 3.116 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
474 2 2 LEU HA 2 3 GLU H 3.137 . 4.396 3.056 2.939 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
475 2 2 LEU MD1 2 3 GLU H 4.906 2.286 7.526 4.886 4.262 5.540 . 0 0 "[ . 1 . 2 . 3]" 1
476 2 2 LEU MD2 2 3 GLU H 4.768 2.254 7.281 4.826 4.256 5.588 . 0 0 "[ . 1 . 2 . 3]" 1
477 2 3 GLU HB2 2 4 SER H 4.213 2.126 6.300 4.065 3.641 4.234 . 0 0 "[ . 1 . 2 . 3]" 1
478 2 3 GLU HG2 2 4 SER H 4.481 2.188 6.774 4.724 4.534 4.988 . 0 0 "[ . 1 . 2 . 3]" 1
479 2 3 GLU HG3 2 4 SER H 4.213 2.126 6.300 4.997 4.742 5.234 . 0 0 "[ . 1 . 2 . 3]" 1
480 2 4 SER HA 2 5 PRO HD2 3.769 2.024 5.514 2.779 2.597 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
481 2 4 SER HA 2 5 PRO HD3 3.792 2.029 5.555 2.059 2.023 2.134 0.006 26 0 "[ . 1 . 2 . 3]" 1
482 2 5 PRO HA 2 6 PRO HD2 3.724 2.013 5.435 2.578 2.469 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
483 2 5 PRO HA 2 6 PRO HD3 3.682 2.004 5.361 1.988 1.981 1.994 0.022 30 0 "[ . 1 . 2 . 3]" 1
484 2 5 PRO HB2 2 6 PRO HD2 4.026 2.083 5.969 4.039 3.875 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
485 2 5 PRO HB2 2 6 PRO HD3 4.347 2.157 6.536 4.530 4.448 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
486 2 5 PRO HG2 2 6 PRO HD2 4.612 2.218 7.006 5.580 5.451 5.722 . 0 0 "[ . 1 . 2 . 3]" 1
487 2 5 PRO HG2 2 6 PRO HD3 4.880 2.280 7.479 5.781 5.723 5.815 . 0 0 "[ . 1 . 2 . 3]" 1
488 2 5 PRO HG3 2 6 PRO HD2 6.000 2.538 9.462 4.809 4.700 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
489 2 5 PRO HG3 2 6 PRO HD3 4.199 2.123 6.274 4.734 4.652 4.804 . 0 0 "[ . 1 . 2 . 3]" 1
490 2 6 PRO HA 2 7 PRO HB3 4.637 2.224 7.050 5.453 5.125 5.532 . 0 0 "[ . 1 . 2 . 3]" 1
491 2 6 PRO HA 2 7 PRO HD2 3.807 2.032 5.581 2.641 2.029 2.807 0.003 3 0 "[ . 1 . 2 . 3]" 1
492 2 6 PRO HA 2 7 PRO HG3 4.156 2.113 6.199 4.052 3.913 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
493 2 6 PRO HB3 2 7 PRO HD2 4.487 2.189 6.784 2.515 2.269 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
494 2 6 PRO HG3 2 7 PRO HD2 4.420 2.174 6.666 4.477 4.060 4.726 . 0 0 "[ . 1 . 2 . 3]" 1
495 2 6 PRO HG3 2 7 PRO HG3 4.444 2.179 6.709 6.720 6.711 6.725 0.016 4 0 "[ . 1 . 2 . 3]" 1
496 2 7 PRO HA 2 8 PRO HD2 3.107 . 4.343 2.271 1.951 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
497 2 7 PRO HA 2 8 PRO HD3 3.780 2.026 5.533 2.267 2.014 2.554 0.012 3 0 "[ . 1 . 2 . 3]" 1
498 2 7 PRO HB3 2 8 PRO HD3 4.434 2.177 6.691 3.961 3.543 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
499 2 7 PRO HG2 2 15 ASP HB2 4.190 2.121 6.260 3.041 2.333 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
500 2 7 PRO HG3 2 8 PRO HD2 4.415 2.173 6.657 4.571 4.178 5.418 . 0 0 "[ . 1 . 2 . 3]" 1
501 2 7 PRO HG3 2 8 PRO HD3 4.281 2.142 6.421 5.116 4.718 5.785 . 0 0 "[ . 1 . 2 . 3]" 1
502 2 7 PRO HG3 2 15 ASP HB2 4.589 2.213 6.966 4.585 2.956 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
503 2 8 PRO HA 2 9 TYR H 3.738 2.016 5.459 2.122 2.091 2.150 . 0 0 "[ . 1 . 2 . 3]" 1
504 2 8 PRO HB2 2 9 TYR H 4.265 2.138 6.391 3.883 3.601 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
505 2 8 PRO HG3 2 9 TYR H 4.249 2.134 6.363 5.347 4.922 5.717 . 0 0 "[ . 1 . 2 . 3]" 1
506 2 9 TYR H 2 10 SER H 4.735 2.247 7.224 4.360 4.209 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
507 2 9 TYR HA 2 10 SER H 4.072 2.094 6.051 2.156 2.123 2.190 . 0 0 "[ . 1 . 2 . 3]" 1
508 2 9 TYR HB2 2 10 SER H 4.747 2.249 7.245 4.383 4.088 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
509 2 9 TYR HB3 2 10 SER H 4.785 2.258 7.312 4.301 4.135 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
510 2 9 TYR QD 2 10 SER H 4.612 2.218 7.006 3.754 3.316 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
511 2 11 ARG H 2 12 TYR H 4.425 2.175 6.674 2.203 2.148 2.586 0.027 18 0 "[ . 1 . 2 . 3]" 1
512 2 11 ARG H 2 12 TYR QD 4.909 2.287 7.532 4.676 4.311 5.055 . 0 0 "[ . 1 . 2 . 3]" 1
513 2 11 ARG H 2 14 MET HB3 4.561 2.206 6.915 6.692 6.048 6.926 0.011 12 0 "[ . 1 . 2 . 3]" 1
514 2 11 ARG HA 2 12 TYR H 4.331 2.153 6.509 3.561 3.544 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
515 2 11 ARG HB2 2 12 TYR H 4.355 2.159 6.551 2.814 2.157 3.883 0.002 30 0 "[ . 1 . 2 . 3]" 1
516 2 11 ARG HB2 2 12 TYR QD 4.578 2.210 6.946 3.447 2.316 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
517 2 11 ARG HB2 2 12 TYR QE 4.772 2.255 7.289 4.330 3.590 5.571 . 0 0 "[ . 1 . 2 . 3]" 1
518 2 11 ARG HB3 2 12 TYR H 4.258 2.137 6.380 3.136 2.302 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
519 2 11 ARG HB3 2 12 TYR QD 4.551 2.204 6.897 3.373 2.196 5.152 0.008 5 0 "[ . 1 . 2 . 3]" 1
520 2 11 ARG HB3 2 12 TYR QE 4.708 2.240 7.175 3.840 2.861 5.389 . 0 0 "[ . 1 . 2 . 3]" 1
521 2 11 ARG HD2 2 12 TYR QD 4.806 2.263 7.349 5.354 3.384 6.622 . 0 0 "[ . 1 . 2 . 3]" 1
522 2 11 ARG HD2 2 12 TYR QE 4.778 2.257 7.300 5.163 2.459 7.012 . 0 0 "[ . 1 . 2 . 3]" 1
523 2 11 ARG HD3 2 12 TYR QD 4.682 2.234 7.131 5.164 2.754 7.133 0.002 14 0 "[ . 1 . 2 . 3]" 1
524 2 11 ARG HD3 2 12 TYR QE 4.687 2.236 7.139 5.098 2.476 7.106 . 0 0 "[ . 1 . 2 . 3]" 1
525 2 11 ARG HG2 2 12 TYR H 4.597 2.215 6.979 4.322 2.578 4.962 . 0 0 "[ . 1 . 2 . 3]" 1
526 2 11 ARG HG2 2 12 TYR QD 4.628 2.222 7.035 4.644 2.649 5.814 . 0 0 "[ . 1 . 2 . 3]" 1
527 2 11 ARG HG2 2 12 TYR QE 4.541 2.202 6.880 4.834 2.827 6.021 . 0 0 "[ . 1 . 2 . 3]" 1
528 2 11 ARG HG3 2 12 TYR H 4.747 2.249 7.245 4.226 2.244 4.908 0.005 29 0 "[ . 1 . 2 . 3]" 1
529 2 11 ARG HG3 2 12 TYR QD 4.612 2.218 7.006 4.565 2.297 5.556 . 0 0 "[ . 1 . 2 . 3]" 1
530 2 11 ARG HG3 2 12 TYR QE 4.620 2.220 7.021 4.842 3.251 6.594 . 0 0 "[ . 1 . 2 . 3]" 1
531 2 12 TYR H 2 13 PRO HD2 4.265 2.138 6.391 5.078 4.842 5.383 . 0 0 "[ . 1 . 2 . 3]" 1
532 2 12 TYR H 2 13 PRO HD3 4.363 2.161 6.565 4.855 4.731 5.015 . 0 0 "[ . 1 . 2 . 3]" 1
533 2 12 TYR HA 2 13 PRO HD2 3.853 2.043 5.664 2.750 2.219 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
534 2 12 TYR HA 2 13 PRO HD3 3.923 2.059 5.786 2.178 2.037 2.357 0.022 26 0 "[ . 1 . 2 . 3]" 1
535 2 12 TYR HA 2 13 PRO HG2 4.561 2.206 6.915 4.572 4.373 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
536 2 12 TYR HB2 2 13 PRO HD2 4.285 2.143 6.427 3.865 3.694 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
537 2 12 TYR HB2 2 13 PRO HD3 4.037 2.086 5.989 4.501 4.079 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
538 2 12 TYR HB2 2 13 PRO HG2 4.967 2.300 7.634 5.816 5.339 6.264 . 0 0 "[ . 1 . 2 . 3]" 1
539 2 12 TYR HB3 2 13 PRO HD2 4.487 2.189 6.784 2.339 2.186 2.627 0.003 5 0 "[ . 1 . 2 . 3]" 1
540 2 12 TYR HB3 2 13 PRO HD3 4.225 2.129 6.320 3.296 2.713 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
541 2 12 TYR QD 2 13 PRO HD2 4.238 2.132 6.344 3.153 2.299 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
542 2 12 TYR QD 2 13 PRO HD3 4.055 2.090 6.020 3.468 2.395 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
543 2 12 TYR QE 2 13 PRO HD2 4.785 2.258 7.312 5.410 4.558 6.008 . 0 0 "[ . 1 . 2 . 3]" 1
544 2 12 TYR QE 2 13 PRO HD3 4.931 2.292 7.570 5.568 4.550 6.375 . 0 0 "[ . 1 . 2 . 3]" 1
545 2 13 PRO HA 2 14 MET H 4.246 2.134 6.358 2.155 2.131 2.187 0.003 10 0 "[ . 1 . 2 . 3]" 1
546 2 13 PRO HB3 2 14 MET H 4.547 2.203 6.891 3.884 3.506 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
547 2 14 MET H 2 15 ASP H 5.060 2.321 7.798 4.186 3.945 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
548 2 14 MET HA 2 15 ASP H 4.415 2.173 6.657 2.176 2.161 2.295 0.012 26 0 "[ . 1 . 2 . 3]" 1
549 2 14 MET HB2 2 15 ASP H 4.942 2.294 7.590 3.470 2.710 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
550 2 14 MET HB3 2 15 ASP H 5.319 2.381 8.256 4.186 3.570 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
551 2 14 MET HG2 2 15 ASP H 6.000 2.538 9.462 4.933 3.838 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
552 2 14 MET HG3 2 15 ASP H 5.151 2.343 7.959 4.644 4.110 5.475 . 0 0 "[ . 1 . 2 . 3]" 1
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