NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512760 |
2l8n   |
17419 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l8n
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 531
_Distance_constraint_stats_list.Viol_count 1179
_Distance_constraint_stats_list.Viol_total 743.609
_Distance_constraint_stats_list.Viol_max 0.241
_Distance_constraint_stats_list.Viol_rms 0.0302
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.0573
_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 9 ALA 0.012 0.012 5 0 "[ . 1 ]"
1 10 ALA 1.780 0.154 7 0 "[ . 1 ]"
1 11 THR 2.421 0.149 3 0 "[ . 1 ]"
1 12 MET 0.085 0.028 10 0 "[ . 1 ]"
1 13 LYS 1.815 0.084 7 0 "[ . 1 ]"
1 14 ASP 3.995 0.139 4 0 "[ . 1 ]"
1 15 VAL 5.189 0.163 5 0 "[ . 1 ]"
1 16 ALA 0.898 0.067 2 0 "[ . 1 ]"
1 17 LEU 5.808 0.185 10 0 "[ . 1 ]"
1 18 LYS 1.380 0.138 9 0 "[ . 1 ]"
1 19 ALA 0.975 0.092 2 0 "[ . 1 ]"
1 20 LYS 4.960 0.241 4 0 "[ . 1 ]"
1 21 VAL 3.701 0.241 4 0 "[ . 1 ]"
1 22 SER 1.811 0.146 3 0 "[ . 1 ]"
1 23 THR 0.303 0.062 8 0 "[ . 1 ]"
1 24 ALA 0.043 0.031 4 0 "[ . 1 ]"
1 25 THR 1.287 0.087 11 0 "[ . 1 ]"
1 26 VAL 1.688 0.128 2 0 "[ . 1 ]"
1 27 SER 0.144 0.066 2 0 "[ . 1 ]"
1 28 ARG 0.900 0.138 8 0 "[ . 1 ]"
1 29 ALA 1.868 0.138 8 0 "[ . 1 ]"
1 30 LEU 2.337 0.178 3 0 "[ . 1 ]"
1 31 MET 0.235 0.119 5 0 "[ . 1 ]"
1 32 ASN 0.056 0.026 7 0 "[ . 1 ]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 34 ASP 0.773 0.177 5 0 "[ . 1 ]"
1 35 LYS 1.004 0.208 5 0 "[ . 1 ]"
1 36 VAL 2.166 0.128 2 0 "[ . 1 ]"
1 37 SER 4.234 0.208 5 0 "[ . 1 ]"
1 38 GLN 4.126 0.131 4 0 "[ . 1 ]"
1 39 ALA 3.756 0.148 11 0 "[ . 1 ]"
1 40 THR 2.586 0.099 2 0 "[ . 1 ]"
1 41 ARG 3.252 0.106 10 0 "[ . 1 ]"
1 42 ASN 2.652 0.099 10 0 "[ . 1 ]"
1 43 ARG 2.695 0.132 9 0 "[ . 1 ]"
1 44 VAL 2.943 0.132 9 0 "[ . 1 ]"
1 45 GLU 2.183 0.148 7 0 "[ . 1 ]"
1 46 LYS 3.027 0.141 2 0 "[ . 1 ]"
1 47 ALA 1.052 0.099 8 0 "[ . 1 ]"
1 48 ALA 0.648 0.075 1 0 "[ . 1 ]"
1 49 ARG 3.353 0.158 9 0 "[ . 1 ]"
1 50 GLU 4.325 0.224 2 0 "[ . 1 ]"
1 51 VAL 2.735 0.163 5 0 "[ . 1 ]"
1 52 GLY 0.859 0.136 1 0 "[ . 1 ]"
1 53 TYR 1.813 0.147 6 0 "[ . 1 ]"
1 54 LEU 2.847 0.174 1 0 "[ . 1 ]"
1 55 PRO 1.368 0.126 1 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ALA HA 1 10 ALA H 2.380 . 2.860 2.407 2.157 2.872 0.012 5 0 "[ . 1 ]" 1
2 1 10 ALA H 1 10 ALA HA 3.300 2.600 4.000 2.935 2.891 2.973 . 0 0 "[ . 1 ]" 1
3 1 10 ALA H 1 10 ALA MB 2.900 2.300 3.500 2.269 2.207 2.354 0.093 6 0 "[ . 1 ]" 1
4 1 10 ALA H 1 15 VAL QG 5.000 . 6.000 5.937 5.457 6.116 0.116 7 0 "[ . 1 ]" 1
5 1 10 ALA H 1 51 VAL QG 4.000 . 5.000 3.635 3.201 3.992 . 0 0 "[ . 1 ]" 1
6 1 10 ALA HA 1 10 ALA MB 2.800 2.100 3.500 2.139 2.135 2.143 . 0 0 "[ . 1 ]" 1
7 1 10 ALA MB 1 51 VAL QG 5.000 . 5.100 1.989 1.846 2.112 0.154 7 0 "[ . 1 ]" 1
8 1 10 ALA MB 1 52 GLY QA 6.000 3.000 6.100 5.900 4.779 6.236 0.136 1 0 "[ . 1 ]" 1
9 1 10 ALA MB 1 53 TYR QB 5.000 . 5.100 4.966 4.235 5.176 0.076 6 0 "[ . 1 ]" 1
10 1 11 THR H 1 11 THR HA 3.300 2.600 4.000 2.906 2.803 2.949 . 0 0 "[ . 1 ]" 1
11 1 11 THR H 1 11 THR HB 3.000 2.300 3.700 3.394 2.851 3.801 0.101 11 0 "[ . 1 ]" 1
12 1 11 THR H 1 11 THR MG 3.200 2.500 3.800 3.279 2.440 3.949 0.149 3 0 "[ . 1 ]" 1
13 1 11 THR H 1 12 MET H 2.800 . 4.800 4.440 4.355 4.646 . 0 0 "[ . 1 ]" 1
14 1 11 THR H 1 15 VAL QG 5.000 . 5.100 4.019 3.332 5.154 0.054 5 0 "[ . 1 ]" 1
15 1 11 THR H 1 51 VAL QG 4.000 . 5.000 3.425 2.671 4.940 . 0 0 "[ . 1 ]" 1
16 1 11 THR HA 1 11 THR HB 3.400 2.600 4.100 2.745 2.573 3.030 0.027 8 0 "[ . 1 ]" 1
17 1 11 THR HA 1 11 THR MG 3.000 2.400 3.600 2.315 2.294 2.337 0.106 11 0 "[ . 1 ]" 1
18 1 11 THR HA 1 12 MET H 3.200 2.200 3.700 2.284 2.238 2.451 . 0 0 "[ . 1 ]" 1
19 1 11 THR HA 1 13 LYS H 4.400 3.900 4.900 3.928 3.871 4.082 0.029 8 0 "[ . 1 ]" 1
20 1 11 THR HA 1 14 ASP H 3.400 2.600 4.600 4.535 4.458 4.623 0.023 7 0 "[ . 1 ]" 1
21 1 11 THR HA 1 15 VAL H 4.200 2.800 5.600 5.469 5.214 5.625 0.025 10 0 "[ . 1 ]" 1
22 1 11 THR HB 1 11 THR MG 3.500 . 4.200 2.142 2.138 2.146 . 0 0 "[ . 1 ]" 1
23 1 11 THR HG1 1 53 TYR QE 5.000 . 5.100 3.291 2.308 4.625 . 0 0 "[ . 1 ]" 1
24 1 12 MET H 1 12 MET HA 3.300 2.600 4.000 2.777 2.746 2.808 . 0 0 "[ . 1 ]" 1
25 1 12 MET H 1 13 LYS H 2.800 2.500 3.100 2.727 2.654 2.812 . 0 0 "[ . 1 ]" 1
26 1 12 MET H 1 14 ASP H 4.200 3.900 4.500 4.427 4.340 4.501 0.001 6 0 "[ . 1 ]" 1
27 1 12 MET HA 1 13 LYS H 3.500 3.300 3.700 3.471 3.460 3.497 . 0 0 "[ . 1 ]" 1
28 1 12 MET HA 1 14 ASP H 4.400 4.100 4.700 4.462 4.271 4.716 0.016 6 0 "[ . 1 ]" 1
29 1 12 MET HA 1 15 VAL H 3.400 2.600 4.200 3.519 3.358 3.723 . 0 0 "[ . 1 ]" 1
30 1 12 MET HA 1 16 ALA H 4.200 3.700 4.700 4.613 4.394 4.728 0.028 10 0 "[ . 1 ]" 1
31 1 13 LYS H 1 13 LYS HA 3.100 2.500 3.700 2.862 2.846 2.888 . 0 0 "[ . 1 ]" 1
32 1 13 LYS H 1 13 LYS QB 2.900 2.200 3.600 2.281 2.249 2.345 . 0 0 "[ . 1 ]" 1
33 1 13 LYS H 1 13 LYS QE 4.200 3.400 5.000 4.372 3.623 5.001 0.001 10 0 "[ . 1 ]" 1
34 1 13 LYS H 1 13 LYS QG 3.200 2.500 3.900 3.140 2.461 3.942 0.042 1 0 "[ . 1 ]" 1
35 1 13 LYS H 1 14 ASP H 2.800 2.600 3.000 2.567 2.529 2.595 0.071 6 0 "[ . 1 ]" 1
36 1 13 LYS H 1 14 ASP HA 4.220 2.110 5.120 5.181 5.144 5.204 0.084 7 0 "[ . 1 ]" 1
37 1 13 LYS H 1 15 VAL H 4.200 3.700 4.700 3.977 3.852 4.045 . 0 0 "[ . 1 ]" 1
38 1 13 LYS HA 1 13 LYS QB 2.900 2.300 3.500 2.414 2.336 2.438 . 0 0 "[ . 1 ]" 1
39 1 13 LYS HA 1 13 LYS QE 3.500 2.200 4.700 4.459 4.016 4.713 0.013 5 0 "[ . 1 ]" 1
40 1 13 LYS HA 1 13 LYS QG 2.900 2.300 3.500 2.312 2.259 2.367 0.041 4 0 "[ . 1 ]" 1
41 1 13 LYS HA 1 14 ASP H 3.500 3.300 3.700 3.560 3.538 3.572 . 0 0 "[ . 1 ]" 1
42 1 13 LYS HA 1 15 VAL H 4.400 4.200 4.600 4.243 4.191 4.391 0.009 7 0 "[ . 1 ]" 1
43 1 13 LYS HA 1 16 ALA H 3.400 3.200 3.600 3.485 3.438 3.548 . 0 0 "[ . 1 ]" 1
44 1 13 LYS HA 1 17 LEU H 4.200 3.500 4.900 4.924 4.896 4.964 0.064 2 0 "[ . 1 ]" 1
45 1 14 ASP H 1 14 ASP HA 3.300 2.600 4.000 2.806 2.776 2.845 . 0 0 "[ . 1 ]" 1
46 1 14 ASP H 1 14 ASP QB 2.900 2.300 3.500 2.323 2.246 2.373 0.054 6 0 "[ . 1 ]" 1
47 1 14 ASP H 1 15 VAL H 2.800 2.600 3.000 2.653 2.575 2.723 0.025 9 0 "[ . 1 ]" 1
48 1 14 ASP H 1 15 VAL HA 4.170 . 5.200 5.244 5.184 5.296 0.096 4 0 "[ . 1 ]" 1
49 1 14 ASP H 1 15 VAL HB 3.950 . 5.040 4.743 4.688 4.803 . 0 0 "[ . 1 ]" 1
50 1 14 ASP H 1 15 VAL MG1 4.750 2.400 5.750 5.857 5.823 5.889 0.139 4 0 "[ . 1 ]" 1
51 1 14 ASP H 1 16 ALA H 4.200 4.000 4.400 4.272 4.051 4.407 0.007 10 0 "[ . 1 ]" 1
52 1 14 ASP HA 1 14 ASP QB 3.000 2.400 3.600 2.401 2.378 2.417 0.022 6 0 "[ . 1 ]" 1
53 1 14 ASP HA 1 15 VAL H 3.500 3.300 3.700 3.524 3.506 3.537 . 0 0 "[ . 1 ]" 1
54 1 14 ASP HA 1 16 ALA H 4.400 3.900 4.900 4.337 4.175 4.490 . 0 0 "[ . 1 ]" 1
55 1 14 ASP HA 1 17 LEU H 3.400 3.200 3.600 3.533 3.448 3.678 0.078 8 0 "[ . 1 ]" 1
56 1 14 ASP HA 1 17 LEU QD 6.000 3.000 6.100 3.624 2.941 4.168 0.059 8 0 "[ . 1 ]" 1
57 1 14 ASP HA 1 18 LYS H 4.200 3.400 5.000 4.805 4.104 5.083 0.083 9 0 "[ . 1 ]" 1
58 1 14 ASP HA 1 26 VAL QG 6.000 2.900 6.100 5.871 5.553 6.161 0.061 2 0 "[ . 1 ]" 1
59 1 14 ASP HA 1 51 VAL QG 5.000 . 6.100 6.149 6.042 6.198 0.098 2 0 "[ . 1 ]" 1
60 1 14 ASP QB 1 15 VAL H 3.210 . 3.850 2.691 2.638 2.744 . 0 0 "[ . 1 ]" 1
61 1 14 ASP QB 1 51 VAL QG 5.000 . 5.100 3.953 3.837 4.054 . 0 0 "[ . 1 ]" 1
62 1 15 VAL H 1 15 VAL HA 3.300 2.600 4.000 2.809 2.786 2.832 . 0 0 "[ . 1 ]" 1
63 1 15 VAL H 1 15 VAL HB 2.700 2.100 3.300 2.381 2.346 2.464 . 0 0 "[ . 1 ]" 1
64 1 15 VAL H 1 15 VAL MG2 3.100 2.300 3.900 2.249 2.187 2.277 0.113 5 0 "[ . 1 ]" 1
65 1 15 VAL H 1 16 ALA H 2.800 2.600 3.000 2.689 2.577 2.771 0.023 8 0 "[ . 1 ]" 1
66 1 15 VAL H 1 16 ALA MB 3.790 . 4.550 4.336 4.255 4.402 . 0 0 "[ . 1 ]" 1
67 1 15 VAL H 1 17 LEU H 4.200 3.700 4.700 4.226 4.013 4.402 . 0 0 "[ . 1 ]" 1
68 1 15 VAL H 1 51 VAL HB 5.000 . 6.000 5.618 5.029 6.163 0.163 5 0 "[ . 1 ]" 1
69 1 15 VAL H 1 51 VAL QG 4.500 2.500 5.500 3.936 3.756 4.156 . 0 0 "[ . 1 ]" 1
70 1 15 VAL HA 1 15 VAL HB 2.700 . 3.400 3.024 3.020 3.030 . 0 0 "[ . 1 ]" 1
71 1 15 VAL HA 1 15 VAL MG1 3.200 2.500 3.900 2.427 2.383 2.460 0.117 9 0 "[ . 1 ]" 1
72 1 15 VAL HA 1 15 VAL MG2 3.600 . 4.300 2.266 2.235 2.326 . 0 0 "[ . 1 ]" 1
73 1 15 VAL HA 1 16 ALA H 3.500 3.000 4.000 3.543 3.510 3.561 . 0 0 "[ . 1 ]" 1
74 1 15 VAL HA 1 17 LEU H 3.400 3.100 4.200 4.184 3.920 4.309 0.109 1 0 "[ . 1 ]" 1
75 1 15 VAL HA 1 18 LYS QB 6.000 . 6.100 2.803 2.287 3.255 . 0 0 "[ . 1 ]" 1
76 1 15 VAL HA 1 18 LYS QG 6.000 3.000 6.100 4.725 4.059 5.342 . 0 0 "[ . 1 ]" 1
77 1 15 VAL HA 1 19 ALA H 4.200 3.700 4.700 4.221 3.663 4.664 0.037 10 0 "[ . 1 ]" 1
78 1 15 VAL HA 1 47 ALA MB 5.000 . 5.100 4.922 4.615 5.199 0.099 8 0 "[ . 1 ]" 1
79 1 15 VAL HA 1 51 VAL QG 5.000 . 5.100 4.484 3.831 4.889 . 0 0 "[ . 1 ]" 1
80 1 15 VAL HB 1 15 VAL MG1 3.400 . 4.100 2.143 2.141 2.144 . 0 0 "[ . 1 ]" 1
81 1 15 VAL HB 1 15 VAL MG2 3.500 . 4.200 2.148 2.144 2.151 . 0 0 "[ . 1 ]" 1
82 1 15 VAL HB 1 16 ALA H 3.310 . 3.970 2.648 2.498 2.854 . 0 0 "[ . 1 ]" 1
83 1 15 VAL QG 1 48 ALA HA 5.000 . 5.100 4.007 3.240 5.014 . 0 0 "[ . 1 ]" 1
84 1 15 VAL QG 1 51 VAL QG 5.000 . 6.000 2.040 1.867 2.267 0.133 7 0 "[ . 1 ]" 1
85 1 15 VAL QG 1 53 TYR QB 5.000 . 5.100 4.668 3.633 5.136 0.036 3 0 "[ . 1 ]" 1
86 1 15 VAL MG1 1 16 ALA H 3.850 . 4.620 3.285 3.086 3.519 . 0 0 "[ . 1 ]" 1
87 1 15 VAL MG2 1 16 ALA H 3.520 . 4.220 3.945 3.858 4.001 . 0 0 "[ . 1 ]" 1
88 1 16 ALA H 1 16 ALA HA 3.300 2.600 4.000 2.778 2.774 2.783 . 0 0 "[ . 1 ]" 1
89 1 16 ALA H 1 16 ALA MB 3.000 2.300 3.700 2.245 2.233 2.250 0.067 2 0 "[ . 1 ]" 1
90 1 16 ALA H 1 17 LEU H 2.800 2.500 3.100 2.777 2.730 2.817 . 0 0 "[ . 1 ]" 1
91 1 16 ALA H 1 18 LYS H 4.200 3.700 4.700 4.282 4.020 4.588 . 0 0 "[ . 1 ]" 1
92 1 16 ALA HA 1 16 ALA MB 2.700 2.100 3.300 2.144 2.142 2.147 . 0 0 "[ . 1 ]" 1
93 1 16 ALA HA 1 17 LEU H 3.500 3.000 4.000 3.527 3.485 3.557 . 0 0 "[ . 1 ]" 1
94 1 16 ALA HA 1 18 LYS H 4.400 3.900 4.900 4.421 4.100 4.781 . 0 0 "[ . 1 ]" 1
95 1 16 ALA HA 1 19 ALA H 3.400 2.900 3.900 3.441 3.138 3.909 0.009 6 0 "[ . 1 ]" 1
96 1 16 ALA HA 1 19 ALA MB 5.700 2.700 5.800 2.894 2.649 3.649 0.051 9 0 "[ . 1 ]" 1
97 1 16 ALA HA 1 20 LYS H 4.200 3.700 4.700 4.381 3.924 4.740 0.040 6 0 "[ . 1 ]" 1
98 1 16 ALA HA 1 21 VAL QG 5.800 . 6.100 2.283 2.082 2.889 . 0 0 "[ . 1 ]" 1
99 1 16 ALA MB 1 17 LEU H 3.670 . 4.400 2.522 2.398 2.760 . 0 0 "[ . 1 ]" 1
100 1 17 LEU H 1 17 LEU HA 3.300 2.600 4.000 2.819 2.762 2.881 . 0 0 "[ . 1 ]" 1
101 1 17 LEU H 1 17 LEU QB 2.900 2.300 3.500 2.215 2.155 2.268 0.145 11 0 "[ . 1 ]" 1
102 1 17 LEU H 1 17 LEU MD1 4.100 3.300 4.900 3.881 3.331 4.278 . 0 0 "[ . 1 ]" 1
103 1 17 LEU H 1 17 LEU MD2 4.800 3.800 5.800 4.151 3.688 4.363 0.112 10 0 "[ . 1 ]" 1
104 1 17 LEU H 1 17 LEU HG 3.100 2.400 4.400 3.914 2.715 4.585 0.185 10 0 "[ . 1 ]" 1
105 1 17 LEU H 1 18 LYS H 2.800 2.600 3.000 2.702 2.548 2.804 0.052 6 0 "[ . 1 ]" 1
106 1 17 LEU H 1 18 LYS QB 4.560 2.280 5.470 4.486 4.266 4.734 . 0 0 "[ . 1 ]" 1
107 1 17 LEU H 1 19 ALA H 4.200 3.700 4.700 4.085 3.952 4.238 . 0 0 "[ . 1 ]" 1
108 1 17 LEU HA 1 17 LEU QB 2.600 2.100 3.100 2.458 2.369 2.506 . 0 0 "[ . 1 ]" 1
109 1 17 LEU HA 1 17 LEU MD1 3.000 2.200 3.800 3.086 2.131 3.800 0.069 2 0 "[ . 1 ]" 1
110 1 17 LEU HA 1 17 LEU MD2 2.900 2.100 3.700 2.815 2.158 3.819 0.119 9 0 "[ . 1 ]" 1
111 1 17 LEU HA 1 17 LEU HG 3.100 2.500 3.700 2.667 2.466 3.639 0.034 4 0 "[ . 1 ]" 1
112 1 17 LEU HA 1 20 LYS H 3.400 2.900 3.900 3.450 3.104 3.922 0.022 10 0 "[ . 1 ]" 1
113 1 17 LEU QB 1 17 LEU MD1 2.800 2.200 3.400 2.163 2.108 2.320 0.092 11 0 "[ . 1 ]" 1
114 1 17 LEU QB 1 17 LEU MD2 2.700 2.100 3.300 2.192 2.090 2.326 0.010 2 0 "[ . 1 ]" 1
115 1 17 LEU QD 1 18 LYS H 4.590 2.290 5.510 3.807 3.357 4.252 . 0 0 "[ . 1 ]" 1
116 1 17 LEU MD1 1 17 LEU HG 2.800 2.200 3.400 2.150 2.137 2.156 0.063 10 0 "[ . 1 ]" 1
117 1 17 LEU MD2 1 17 LEU HG 2.900 2.300 3.500 2.156 2.142 2.164 0.158 10 0 "[ . 1 ]" 1
118 1 18 LYS H 1 18 LYS HA 3.300 2.600 4.000 2.841 2.795 2.879 . 0 0 "[ . 1 ]" 1
119 1 18 LYS H 1 18 LYS QB 2.500 . 3.100 2.263 2.234 2.415 . 0 0 "[ . 1 ]" 1
120 1 18 LYS H 1 18 LYS QG 3.200 2.200 4.200 3.806 2.217 4.060 . 0 0 "[ . 1 ]" 1
121 1 18 LYS H 1 19 ALA H 2.800 2.600 3.000 2.613 2.557 2.775 0.043 4 0 "[ . 1 ]" 1
122 1 18 LYS H 1 19 ALA MB 4.890 2.450 5.870 4.337 4.213 4.547 . 0 0 "[ . 1 ]" 1
123 1 18 LYS H 1 20 LYS H 4.200 3.700 4.700 3.774 3.665 3.897 0.035 10 0 "[ . 1 ]" 1
124 1 18 LYS HA 1 18 LYS QB 2.800 2.200 3.400 2.390 2.339 2.432 . 0 0 "[ . 1 ]" 1
125 1 18 LYS HA 1 18 LYS QG 2.900 2.300 3.500 2.359 2.309 2.532 . 0 0 "[ . 1 ]" 1
126 1 18 LYS HA 1 19 ALA H 3.500 3.000 4.000 3.531 3.511 3.559 . 0 0 "[ . 1 ]" 1
127 1 18 LYS HA 1 20 LYS H 3.500 3.000 4.000 3.813 3.660 3.945 . 0 0 "[ . 1 ]" 1
128 1 18 LYS QB 1 18 LYS QG 2.800 2.200 3.400 2.101 2.062 2.114 0.138 9 0 "[ . 1 ]" 1
129 1 18 LYS QB 1 19 ALA H 3.490 . 4.190 2.634 2.398 2.767 . 0 0 "[ . 1 ]" 1
130 1 18 LYS QG 1 19 ALA H 3.310 . 4.070 3.884 3.671 4.063 . 0 0 "[ . 1 ]" 1
131 1 18 LYS QG 1 19 ALA MB 6.000 3.000 6.100 4.309 3.691 5.232 . 0 0 "[ . 1 ]" 1
132 1 19 ALA H 1 19 ALA HA 3.300 2.600 4.000 2.934 2.855 2.963 . 0 0 "[ . 1 ]" 1
133 1 19 ALA H 1 19 ALA MB 3.600 . 4.300 2.209 2.122 2.273 . 0 0 "[ . 1 ]" 1
134 1 19 ALA H 1 20 LYS H 2.800 2.400 3.000 2.419 2.308 2.605 0.092 2 0 "[ . 1 ]" 1
135 1 19 ALA H 1 20 LYS HA 3.850 . 5.780 4.549 4.410 4.829 . 0 0 "[ . 1 ]" 1
136 1 19 ALA H 1 21 VAL H 3.800 3.300 4.300 3.914 3.742 4.320 0.020 10 0 "[ . 1 ]" 1
137 1 19 ALA HA 1 19 ALA MB 2.600 . 3.200 2.133 2.132 2.136 . 0 0 "[ . 1 ]" 1
138 1 19 ALA MB 1 20 LYS H 4.840 2.420 5.810 3.358 3.231 3.502 . 0 0 "[ . 1 ]" 1
139 1 19 ALA MB 1 26 VAL QG 5.000 . 6.000 5.693 5.019 6.037 0.037 5 0 "[ . 1 ]" 1
140 1 19 ALA MB 1 43 ARG HA 5.000 . 6.000 5.990 5.839 6.054 0.054 9 0 "[ . 1 ]" 1
141 1 19 ALA MB 1 43 ARG QB 5.000 . 5.100 3.819 3.549 4.101 . 0 0 "[ . 1 ]" 1
142 1 19 ALA MB 1 44 VAL HA 5.000 . 5.100 4.794 4.196 5.147 0.047 3 0 "[ . 1 ]" 1
143 1 19 ALA MB 1 44 VAL QG 5.000 . 5.100 3.746 3.058 4.426 . 0 0 "[ . 1 ]" 1
144 1 20 LYS H 1 20 LYS HA 3.000 2.300 3.700 2.320 2.311 2.326 . 0 0 "[ . 1 ]" 1
145 1 20 LYS H 1 20 LYS QB 4.100 2.500 4.900 3.086 2.769 3.297 . 0 0 "[ . 1 ]" 1
146 1 20 LYS H 1 20 LYS QD 4.900 3.900 5.900 4.561 4.068 5.341 . 0 0 "[ . 1 ]" 1
147 1 20 LYS H 1 20 LYS QE 5.600 4.500 6.700 5.016 4.425 6.127 0.075 1 0 "[ . 1 ]" 1
148 1 20 LYS H 1 20 LYS QG 4.000 2.500 5.200 2.853 2.412 3.978 0.088 3 0 "[ . 1 ]" 1
149 1 20 LYS H 1 21 VAL H 3.030 . 3.640 2.965 2.875 3.060 . 0 0 "[ . 1 ]" 1
150 1 20 LYS H 1 21 VAL HA 5.330 2.660 6.000 5.310 5.265 5.353 . 0 0 "[ . 1 ]" 1
151 1 20 LYS H 1 21 VAL MG1 5.540 2.770 6.000 5.963 4.892 6.114 0.114 1 0 "[ . 1 ]" 1
152 1 20 LYS H 1 21 VAL MG2 5.720 2.860 6.000 3.739 3.651 3.872 . 0 0 "[ . 1 ]" 1
153 1 20 LYS HA 1 20 LYS QB 2.700 2.100 3.300 2.351 2.183 2.441 . 0 0 "[ . 1 ]" 1
154 1 20 LYS HA 1 20 LYS QD 3.700 3.000 4.400 4.055 3.776 4.437 0.037 1 0 "[ . 1 ]" 1
155 1 20 LYS HA 1 20 LYS QG 3.000 2.400 3.600 2.540 2.329 3.324 0.071 7 0 "[ . 1 ]" 1
156 1 20 LYS HA 1 21 VAL H 2.940 . 3.530 2.718 2.630 2.889 . 0 0 "[ . 1 ]" 1
157 1 20 LYS QB 1 20 LYS QG 2.900 2.300 3.500 2.112 2.109 2.116 0.191 8 0 "[ . 1 ]" 1
158 1 20 LYS QB 1 21 VAL H 3.730 . 4.480 3.904 3.790 4.031 . 0 0 "[ . 1 ]" 1
159 1 20 LYS QD 1 21 VAL H 4.600 2.100 5.720 5.790 5.638 5.961 0.241 4 0 "[ . 1 ]" 1
160 1 20 LYS QG 1 21 VAL H 3.680 . 4.420 4.302 3.920 4.462 0.042 11 0 "[ . 1 ]" 1
161 1 21 VAL H 1 21 VAL HA 3.300 2.600 4.000 2.857 2.845 2.912 . 0 0 "[ . 1 ]" 1
162 1 21 VAL H 1 21 VAL HB 3.000 2.200 3.800 2.666 2.409 3.509 . 0 0 "[ . 1 ]" 1
163 1 21 VAL H 1 21 VAL MG1 3.900 3.100 4.700 3.679 2.973 3.762 0.127 3 0 "[ . 1 ]" 1
164 1 21 VAL H 1 21 VAL MG2 3.600 . 4.500 1.950 1.752 2.361 0.148 3 0 "[ . 1 ]" 1
165 1 21 VAL H 1 22 SER H 3.790 . 4.550 3.071 2.986 3.116 . 0 0 "[ . 1 ]" 1
166 1 21 VAL HA 1 21 VAL HB 3.300 2.600 4.000 2.995 2.724 3.025 . 0 0 "[ . 1 ]" 1
167 1 21 VAL HA 1 21 VAL MG1 2.500 . 3.200 2.303 2.213 2.358 . 0 0 "[ . 1 ]" 1
168 1 21 VAL HA 1 21 VAL MG2 4.100 . 4.900 2.486 2.340 3.130 . 0 0 "[ . 1 ]" 1
169 1 21 VAL HA 1 22 SER H 2.830 . 3.400 3.528 3.508 3.546 0.146 3 0 "[ . 1 ]" 1
170 1 21 VAL HB 1 21 VAL MG1 3.700 . 4.400 2.146 2.139 2.152 . 0 0 "[ . 1 ]" 1
171 1 21 VAL HB 1 21 VAL MG2 3.700 . 4.400 2.149 2.141 2.153 . 0 0 "[ . 1 ]" 1
172 1 21 VAL HB 1 22 SER H 2.830 . 3.940 1.852 1.744 2.448 . 0 0 "[ . 1 ]" 1
173 1 21 VAL MG1 1 21 VAL MG2 3.500 . 4.200 2.072 2.040 2.088 . 0 0 "[ . 1 ]" 1
174 1 21 VAL MG1 1 22 SER H 3.510 . 4.210 2.823 2.297 3.819 . 0 0 "[ . 1 ]" 1
175 1 21 VAL MG2 1 22 SER H 3.730 . 4.480 3.332 1.786 3.565 0.074 3 0 "[ . 1 ]" 1
176 1 22 SER H 1 22 SER HA 3.300 2.600 4.000 2.745 2.729 2.776 . 0 0 "[ . 1 ]" 1
177 1 22 SER H 1 22 SER QB 3.400 2.700 4.100 3.106 3.018 3.519 . 0 0 "[ . 1 ]" 1
178 1 22 SER H 1 23 THR H 3.800 . 4.560 3.994 3.923 4.082 . 0 0 "[ . 1 ]" 1
179 1 22 SER HA 1 22 SER QB 3.000 2.300 3.700 2.380 2.190 2.505 0.110 4 0 "[ . 1 ]" 1
180 1 22 SER HA 1 23 THR H 2.770 . 3.320 2.174 2.151 2.196 . 0 0 "[ . 1 ]" 1
181 1 22 SER QB 1 23 THR H 3.100 . 3.720 3.344 3.100 3.681 . 0 0 "[ . 1 ]" 1
182 1 23 THR H 1 23 THR HA 3.300 2.600 4.000 2.812 2.765 2.846 . 0 0 "[ . 1 ]" 1
183 1 23 THR H 1 23 THR MG 3.200 2.500 3.900 3.267 2.438 3.743 0.062 8 0 "[ . 1 ]" 1
184 1 23 THR H 1 24 ALA H 2.800 2.300 3.300 2.674 2.561 2.810 . 0 0 "[ . 1 ]" 1
185 1 23 THR H 1 24 ALA MB 4.360 2.180 5.230 4.362 4.245 4.483 . 0 0 "[ . 1 ]" 1
186 1 23 THR H 1 25 THR H 4.000 3.000 5.000 4.280 4.181 4.366 . 0 0 "[ . 1 ]" 1
187 1 23 THR HA 1 23 THR HB 3.200 2.600 3.800 2.862 2.555 3.026 0.045 1 0 "[ . 1 ]" 1
188 1 23 THR HA 1 23 THR MG 3.000 2.300 3.700 2.381 2.285 3.198 0.015 8 0 "[ . 1 ]" 1
189 1 23 THR HA 1 24 ALA H 3.500 3.000 3.800 3.504 3.493 3.518 . 0 0 "[ . 1 ]" 1
190 1 23 THR HA 1 25 THR H 4.000 3.000 5.000 4.553 4.478 4.637 . 0 0 "[ . 1 ]" 1
191 1 23 THR HA 1 26 VAL H 3.500 2.700 4.300 4.240 4.189 4.291 . 0 0 "[ . 1 ]" 1
192 1 23 THR HA 1 27 SER H 4.200 3.700 4.700 4.387 4.128 4.701 0.001 2 0 "[ . 1 ]" 1
193 1 23 THR HB 1 23 THR MG 2.800 2.100 3.500 2.144 2.138 2.148 . 0 0 "[ . 1 ]" 1
194 1 24 ALA H 1 24 ALA HA 3.300 2.600 4.000 2.886 2.882 2.891 . 0 0 "[ . 1 ]" 1
195 1 24 ALA H 1 24 ALA MB 2.800 2.200 3.400 2.236 2.208 2.262 . 0 0 "[ . 1 ]" 1
196 1 24 ALA H 1 25 THR H 2.780 . 3.340 2.442 2.410 2.465 . 0 0 "[ . 1 ]" 1
197 1 24 ALA H 1 25 THR MG 3.460 . 4.150 4.093 3.924 4.181 0.031 4 0 "[ . 1 ]" 1
198 1 24 ALA HA 1 24 ALA MB 4.300 . 5.200 2.139 2.136 2.143 . 0 0 "[ . 1 ]" 1
199 1 24 ALA MB 1 25 THR H 3.770 . 4.520 2.528 2.485 2.565 . 0 0 "[ . 1 ]" 1
200 1 25 THR H 1 25 THR HA 3.300 2.600 4.000 2.807 2.796 2.817 . 0 0 "[ . 1 ]" 1
201 1 25 THR H 1 25 THR HB 3.200 2.600 3.800 3.599 3.590 3.612 . 0 0 "[ . 1 ]" 1
202 1 25 THR H 1 25 THR MG 2.900 2.100 3.700 2.269 2.079 2.332 0.021 6 0 "[ . 1 ]" 1
203 1 25 THR H 1 26 VAL H 3.240 . 3.890 3.021 3.002 3.061 . 0 0 "[ . 1 ]" 1
204 1 25 THR H 1 26 VAL HB 4.200 2.120 5.090 5.121 4.883 5.177 0.087 11 0 "[ . 1 ]" 1
205 1 25 THR HA 1 25 THR MG 3.000 2.300 3.700 2.290 2.266 2.342 0.034 4 0 "[ . 1 ]" 1
206 1 25 THR HA 1 26 VAL H 3.440 . 4.130 3.578 3.573 3.590 . 0 0 "[ . 1 ]" 1
207 1 25 THR HA 1 36 VAL HA 5.000 . 5.600 5.606 5.340 5.674 0.074 4 0 "[ . 1 ]" 1
208 1 25 THR HA 1 36 VAL QG 5.000 . 5.100 3.874 3.213 4.346 . 0 0 "[ . 1 ]" 1
209 1 25 THR HB 1 25 THR MG 3.600 . 4.300 2.146 2.144 2.149 . 0 0 "[ . 1 ]" 1
210 1 25 THR HB 1 26 VAL H 3.480 . 4.180 2.982 2.923 3.089 . 0 0 "[ . 1 ]" 1
211 1 25 THR HB 1 36 VAL HA 5.000 . 5.100 4.258 4.064 4.530 . 0 0 "[ . 1 ]" 1
212 1 25 THR HG1 1 36 VAL HA 5.000 . 5.100 3.302 3.019 3.878 . 0 0 "[ . 1 ]" 1
213 1 25 THR HG1 1 36 VAL HB 5.000 . 5.100 4.881 4.166 5.117 0.017 11 0 "[ . 1 ]" 1
214 1 25 THR HG1 1 36 VAL QG 5.000 . 5.100 2.780 2.190 3.342 . 0 0 "[ . 1 ]" 1
215 1 26 VAL H 1 26 VAL HA 3.300 2.600 4.000 2.761 2.748 2.797 . 0 0 "[ . 1 ]" 1
216 1 26 VAL H 1 26 VAL HB 2.800 2.200 3.400 2.298 2.286 2.334 . 0 0 "[ . 1 ]" 1
217 1 26 VAL H 1 26 VAL MG1 3.300 2.500 4.100 2.682 2.447 3.722 0.053 6 0 "[ . 1 ]" 1
218 1 26 VAL H 1 26 VAL MG2 3.300 2.400 4.200 3.446 2.344 3.693 0.056 9 0 "[ . 1 ]" 1
219 1 26 VAL H 1 27 SER H 3.360 . 4.030 2.788 2.706 2.814 . 0 0 "[ . 1 ]" 1
220 1 26 VAL HA 1 26 VAL HB 3.200 2.500 3.900 2.640 2.550 3.019 . 0 0 "[ . 1 ]" 1
221 1 26 VAL HA 1 26 VAL MG1 3.300 2.600 4.000 3.075 2.513 3.197 0.087 9 0 "[ . 1 ]" 1
222 1 26 VAL HA 1 26 VAL MG2 3.600 . 4.300 2.248 2.217 2.294 . 0 0 "[ . 1 ]" 1
223 1 26 VAL HA 1 27 SER H 4.570 2.290 5.480 3.500 3.473 3.518 . 0 0 "[ . 1 ]" 1
224 1 26 VAL HA 1 29 ALA MB 5.500 2.300 5.600 2.474 2.286 2.742 0.014 9 0 "[ . 1 ]" 1
225 1 26 VAL HA 1 36 VAL QG 5.000 . 5.100 4.448 4.042 4.783 . 0 0 "[ . 1 ]" 1
226 1 26 VAL HB 1 26 VAL MG1 2.800 2.100 3.500 2.145 2.143 2.148 . 0 0 "[ . 1 ]" 1
227 1 26 VAL HB 1 26 VAL MG2 3.400 . 4.100 2.150 2.146 2.153 . 0 0 "[ . 1 ]" 1
228 1 26 VAL HB 1 27 SER H 3.710 . 4.450 3.736 3.039 3.947 . 0 0 "[ . 1 ]" 1
229 1 26 VAL HB 1 36 VAL QG 5.000 . 5.600 5.448 4.950 5.728 0.128 2 0 "[ . 1 ]" 1
230 1 26 VAL QG 1 36 VAL QG 5.000 . 5.100 4.609 3.650 5.041 . 0 0 "[ . 1 ]" 1
231 1 26 VAL MG1 1 27 SER H 4.630 2.020 5.960 2.339 2.011 3.484 0.009 1 0 "[ . 1 ]" 1
232 1 26 VAL MG2 1 27 SER H 4.590 2.300 5.510 3.951 3.853 4.180 . 0 0 "[ . 1 ]" 1
233 1 27 SER H 1 27 SER HA 3.300 2.600 4.000 2.882 2.865 2.902 . 0 0 "[ . 1 ]" 1
234 1 27 SER H 1 27 SER QB 3.600 . 4.300 2.298 2.193 2.499 . 0 0 "[ . 1 ]" 1
235 1 27 SER H 1 28 ARG H 4.000 . 4.800 2.451 2.390 2.531 . 0 0 "[ . 1 ]" 1
236 1 27 SER H 1 28 ARG QG 4.080 2.040 4.900 4.276 4.157 4.432 . 0 0 "[ . 1 ]" 1
237 1 27 SER HA 1 27 SER QB 3.500 2.250 4.200 2.326 2.184 2.418 0.066 2 0 "[ . 1 ]" 1
238 1 28 ARG H 1 28 ARG HA 3.300 2.600 4.000 2.901 2.884 2.909 . 0 0 "[ . 1 ]" 1
239 1 28 ARG H 1 28 ARG QB 3.800 . 4.600 2.333 2.302 2.380 . 0 0 "[ . 1 ]" 1
240 1 28 ARG H 1 28 ARG QD 4.300 3.400 5.200 3.924 3.572 4.184 . 0 0 "[ . 1 ]" 1
241 1 28 ARG H 1 29 ALA H 3.650 . 4.380 2.325 2.281 2.399 . 0 0 "[ . 1 ]" 1
242 1 28 ARG HA 1 28 ARG QB 2.900 2.300 3.500 2.406 2.386 2.421 . 0 0 "[ . 1 ]" 1
243 1 28 ARG HA 1 32 ASN QB 5.000 . 5.100 4.861 4.113 5.126 0.026 7 0 "[ . 1 ]" 1
244 1 28 ARG QB 1 32 ASN QB 5.000 . 5.100 3.466 2.298 4.125 . 0 0 "[ . 1 ]" 1
245 1 28 ARG QD 1 29 ALA H 4.340 2.070 5.310 5.080 4.757 5.201 . 0 0 "[ . 1 ]" 1
246 1 28 ARG QG 1 29 ALA H 3.460 . 4.150 4.227 4.164 4.288 0.138 8 0 "[ . 1 ]" 1
247 1 29 ALA H 1 29 ALA HA 3.300 2.600 4.000 2.787 2.747 2.861 . 0 0 "[ . 1 ]" 1
248 1 29 ALA H 1 29 ALA MB 3.000 2.300 3.700 2.244 2.236 2.251 0.064 10 0 "[ . 1 ]" 1
249 1 29 ALA H 1 30 LEU H 3.370 . 4.040 2.754 2.502 2.967 . 0 0 "[ . 1 ]" 1
250 1 29 ALA H 1 30 LEU HA 4.320 . 5.380 5.335 5.066 5.495 0.115 6 0 "[ . 1 ]" 1
251 1 29 ALA H 1 30 LEU QD 3.820 . 4.790 3.950 3.423 4.525 . 0 0 "[ . 1 ]" 1
252 1 29 ALA HA 1 29 ALA MB 2.800 2.100 3.500 2.141 2.140 2.143 . 0 0 "[ . 1 ]" 1
253 1 29 ALA HA 1 30 LEU H 3.940 . 4.730 3.474 3.430 3.570 . 0 0 "[ . 1 ]" 1
254 1 29 ALA HA 1 36 VAL QG 5.000 . 5.100 4.362 3.635 4.938 . 0 0 "[ . 1 ]" 1
255 1 29 ALA MB 1 36 VAL QG 5.000 . 5.100 3.447 2.634 4.247 . 0 0 "[ . 1 ]" 1
256 1 30 LEU H 1 30 LEU HA 3.300 2.600 4.000 2.880 2.752 2.961 . 0 0 "[ . 1 ]" 1
257 1 30 LEU H 1 30 LEU QB 2.900 2.300 3.500 2.510 2.238 2.755 0.062 9 0 "[ . 1 ]" 1
258 1 30 LEU H 1 30 LEU QD 2.900 2.200 3.600 2.509 2.062 2.834 0.138 9 0 "[ . 1 ]" 1
259 1 30 LEU H 1 31 MET H 3.190 . 3.830 2.427 2.048 2.819 . 0 0 "[ . 1 ]" 1
260 1 30 LEU H 1 31 MET QG 4.090 2.050 4.910 3.846 3.539 4.575 . 0 0 "[ . 1 ]" 1
261 1 30 LEU HA 1 30 LEU QB 2.900 2.300 3.500 2.337 2.187 2.496 0.113 1 0 "[ . 1 ]" 1
262 1 30 LEU HA 1 30 LEU MD1 3.100 2.300 3.900 3.283 2.172 3.847 0.128 9 0 "[ . 1 ]" 1
263 1 30 LEU HA 1 30 LEU QD 3.200 . 3.800 2.433 1.979 3.440 0.021 9 0 "[ . 1 ]" 1
264 1 30 LEU HA 1 31 MET H 3.590 . 4.310 3.397 3.313 3.489 . 0 0 "[ . 1 ]" 1
265 1 30 LEU QB 1 30 LEU MD1 3.000 2.300 3.700 2.188 2.122 2.309 0.178 3 0 "[ . 1 ]" 1
266 1 30 LEU QB 1 31 MET H 3.340 . 4.010 3.246 2.912 3.784 . 0 0 "[ . 1 ]" 1
267 1 30 LEU QD 1 31 MET H 3.940 . 4.730 3.837 3.119 4.186 . 0 0 "[ . 1 ]" 1
268 1 31 MET H 1 31 MET HA 3.300 2.600 4.000 2.964 2.939 2.975 . 0 0 "[ . 1 ]" 1
269 1 31 MET H 1 31 MET QB 3.100 2.400 3.800 2.566 2.425 3.025 . 0 0 "[ . 1 ]" 1
270 1 31 MET H 1 31 MET QG 3.000 2.300 3.700 2.578 2.181 2.966 0.119 5 0 "[ . 1 ]" 1
271 1 31 MET H 1 32 ASN H 2.830 . 3.400 2.102 1.842 2.472 . 0 0 "[ . 1 ]" 1
272 1 31 MET HA 1 31 MET QB 2.900 2.300 3.500 2.342 2.192 2.400 0.108 5 0 "[ . 1 ]" 1
273 1 31 MET HA 1 31 MET ME 3.900 3.100 4.700 4.093 3.591 4.532 . 0 0 "[ . 1 ]" 1
274 1 31 MET HA 1 31 MET QG 2.900 2.100 3.700 2.701 2.289 3.327 . 0 0 "[ . 1 ]" 1
275 1 31 MET HA 1 32 ASN H 3.620 . 4.340 3.526 3.392 3.582 . 0 0 "[ . 1 ]" 1
276 1 31 MET QB 1 31 MET QG 3.300 . 4.000 2.068 2.032 2.108 . 0 0 "[ . 1 ]" 1
277 1 31 MET QB 1 32 ASN H 3.460 . 4.150 2.636 2.202 3.734 . 0 0 "[ . 1 ]" 1
278 1 31 MET ME 1 31 MET QG 3.000 . 3.700 2.169 2.128 2.210 . 0 0 "[ . 1 ]" 1
279 1 32 ASN H 1 32 ASN HA 3.300 2.600 4.000 2.909 2.817 2.966 . 0 0 "[ . 1 ]" 1
280 1 32 ASN H 1 32 ASN QB 3.300 2.400 4.100 2.781 2.580 2.958 . 0 0 "[ . 1 ]" 1
281 1 32 ASN HA 1 32 ASN QB 2.900 2.300 3.500 2.398 2.329 2.515 . 0 0 "[ . 1 ]" 1
282 1 33 PRO HA 1 33 PRO QD 3.100 2.500 3.700 3.472 3.318 3.507 . 0 0 "[ . 1 ]" 1
283 1 33 PRO HA 1 34 ASP H 3.950 . 4.740 2.568 2.191 3.567 . 0 0 "[ . 1 ]" 1
284 1 33 PRO QD 1 34 ASP H 3.810 . 4.970 4.162 2.413 4.945 . 0 0 "[ . 1 ]" 1
285 1 34 ASP H 1 34 ASP HA 3.300 2.500 4.100 2.854 2.323 2.975 0.177 5 0 "[ . 1 ]" 1
286 1 34 ASP H 1 34 ASP QB 3.200 2.500 3.800 2.842 2.495 3.522 0.005 8 0 "[ . 1 ]" 1
287 1 34 ASP H 1 35 LYS H 2.600 . 3.600 2.185 1.861 3.594 0.139 6 0 "[ . 1 ]" 1
288 1 34 ASP H 1 35 LYS QB 4.310 2.160 5.170 3.877 3.292 5.002 . 0 0 "[ . 1 ]" 1
289 1 34 ASP H 1 36 VAL H 4.200 3.200 5.200 3.814 3.150 5.198 0.050 6 0 "[ . 1 ]" 1
290 1 34 ASP HA 1 34 ASP QB 2.700 2.200 3.200 2.340 2.184 2.419 0.016 7 0 "[ . 1 ]" 1
291 1 34 ASP HA 1 35 LYS H 3.500 2.700 4.300 3.104 2.650 3.521 0.050 7 0 "[ . 1 ]" 1
292 1 34 ASP HA 1 36 VAL H 3.500 2.500 4.500 3.676 3.231 4.001 . 0 0 "[ . 1 ]" 1
293 1 34 ASP QB 1 35 LYS H 3.760 . 4.510 3.565 2.800 4.026 . 0 0 "[ . 1 ]" 1
294 1 35 LYS H 1 35 LYS HA 3.300 2.600 4.000 2.930 2.828 2.975 . 0 0 "[ . 1 ]" 1
295 1 35 LYS H 1 35 LYS QB 3.300 2.300 4.200 2.472 2.257 2.676 0.043 3 0 "[ . 1 ]" 1
296 1 35 LYS H 1 36 VAL H 2.800 . 3.800 2.150 1.778 2.893 0.022 2 0 "[ . 1 ]" 1
297 1 35 LYS H 1 36 VAL MG1 5.170 2.590 6.000 4.582 2.781 5.668 . 0 0 "[ . 1 ]" 1
298 1 35 LYS H 1 36 VAL MG2 4.510 2.250 5.410 3.111 2.602 3.642 . 0 0 "[ . 1 ]" 1
299 1 35 LYS HA 1 36 VAL H 3.500 2.500 3.590 3.363 3.075 3.466 . 0 0 "[ . 1 ]" 1
300 1 35 LYS HA 1 37 SER H 4.400 2.400 6.100 6.042 5.759 6.308 0.208 5 0 "[ . 1 ]" 1
301 1 35 LYS QB 1 36 VAL H 3.470 . 4.160 3.162 2.930 3.657 . 0 0 "[ . 1 ]" 1
302 1 36 VAL H 1 37 SER H 3.500 2.500 4.500 4.567 4.422 4.610 0.110 2 0 "[ . 1 ]" 1
303 1 36 VAL HA 1 37 SER H 3.000 . 3.760 2.215 2.152 2.382 . 0 0 "[ . 1 ]" 1
304 1 36 VAL HB 1 37 SER H 3.230 . 3.980 3.499 2.516 4.061 0.081 10 0 "[ . 1 ]" 1
305 1 36 VAL HB 1 41 ARG HA 5.000 . 5.100 3.231 2.723 4.531 . 0 0 "[ . 1 ]" 1
306 1 36 VAL QG 1 41 ARG HA 5.000 . 5.100 2.399 2.042 2.944 . 0 0 "[ . 1 ]" 1
307 1 36 VAL QG 1 41 ARG QB 5.000 . 5.100 2.750 2.372 3.392 . 0 0 "[ . 1 ]" 1
308 1 36 VAL QG 1 44 VAL HA 5.000 . 5.200 5.242 5.187 5.303 0.103 4 0 "[ . 1 ]" 1
309 1 36 VAL MG1 1 37 SER H 3.560 . 4.270 3.000 2.222 3.817 . 0 0 "[ . 1 ]" 1
310 1 36 VAL MG2 1 37 SER H 4.320 2.160 5.180 3.996 3.329 4.196 . 0 0 "[ . 1 ]" 1
311 1 37 SER H 1 37 SER HA 3.300 2.600 4.000 2.812 2.725 2.861 . 0 0 "[ . 1 ]" 1
312 1 37 SER H 1 37 SER QB 2.900 2.300 3.500 2.364 2.232 2.744 0.068 1 0 "[ . 1 ]" 1
313 1 37 SER H 1 38 GLN H 3.500 2.500 4.500 4.619 4.606 4.631 0.131 4 0 "[ . 1 ]" 1
314 1 37 SER HA 1 37 SER QB 2.900 2.300 3.500 2.375 2.267 2.441 0.033 2 0 "[ . 1 ]" 1
315 1 37 SER HA 1 38 GLN H 3.300 2.300 3.570 2.277 2.208 2.399 0.092 10 0 "[ . 1 ]" 1
316 1 37 SER HA 1 39 ALA H 4.400 3.900 4.900 4.527 4.284 4.727 . 0 0 "[ . 1 ]" 1
317 1 37 SER HA 1 40 THR H 3.400 2.600 4.700 4.693 4.600 4.738 0.038 6 0 "[ . 1 ]" 1
318 1 37 SER HA 1 41 ARG H 4.200 3.600 4.800 4.854 4.811 4.906 0.106 10 0 "[ . 1 ]" 1
319 1 37 SER QB 1 38 GLN H 3.430 . 4.120 3.179 2.506 3.531 . 0 0 "[ . 1 ]" 1
320 1 38 GLN H 1 38 GLN HA 3.300 2.600 4.000 2.742 2.735 2.747 . 0 0 "[ . 1 ]" 1
321 1 38 GLN H 1 38 GLN QB 2.900 2.300 3.500 2.420 2.275 2.758 0.025 6 0 "[ . 1 ]" 1
322 1 38 GLN H 1 38 GLN QG 3.400 2.400 4.400 2.676 2.340 3.965 0.060 11 0 "[ . 1 ]" 1
323 1 38 GLN H 1 39 ALA H 2.800 2.500 3.100 3.001 2.924 3.066 . 0 0 "[ . 1 ]" 1
324 1 38 GLN H 1 39 ALA HA 4.560 2.280 5.470 5.531 5.487 5.566 0.096 4 0 "[ . 1 ]" 1
325 1 38 GLN H 1 39 ALA MB 5.050 2.520 6.000 4.633 4.598 4.682 . 0 0 "[ . 1 ]" 1
326 1 38 GLN H 1 40 THR H 4.200 3.700 4.700 4.438 4.377 4.498 . 0 0 "[ . 1 ]" 1
327 1 38 GLN HA 1 38 GLN QB 3.000 2.300 3.700 2.378 2.186 2.454 0.114 7 0 "[ . 1 ]" 1
328 1 38 GLN HA 1 38 GLN QG 3.000 2.400 3.600 2.581 2.321 3.449 0.079 2 0 "[ . 1 ]" 1
329 1 38 GLN HA 1 39 ALA H 3.500 3.300 3.700 3.571 3.559 3.585 . 0 0 "[ . 1 ]" 1
330 1 38 GLN HA 1 40 THR H 4.400 4.000 4.800 4.828 4.734 4.879 0.079 11 0 "[ . 1 ]" 1
331 1 38 GLN HA 1 41 ARG H 3.400 3.200 3.600 3.469 3.340 3.536 . 0 0 "[ . 1 ]" 1
332 1 38 GLN HA 1 42 ASN H 4.200 4.000 4.400 4.324 4.177 4.498 0.098 9 0 "[ . 1 ]" 1
333 1 38 GLN QB 1 38 GLN QG 2.500 . 3.000 2.066 2.017 2.104 . 0 0 "[ . 1 ]" 1
334 1 38 GLN QB 1 39 ALA H 3.370 . 4.040 2.501 2.250 3.351 . 0 0 "[ . 1 ]" 1
335 1 38 GLN QG 1 39 ALA H 4.000 . 4.900 3.678 1.797 4.326 0.103 7 0 "[ . 1 ]" 1
336 1 39 ALA H 1 39 ALA HA 3.300 2.600 4.000 2.817 2.802 2.838 . 0 0 "[ . 1 ]" 1
337 1 39 ALA H 1 39 ALA MB 3.000 2.300 3.700 2.258 2.253 2.264 0.047 4 0 "[ . 1 ]" 1
338 1 39 ALA H 1 40 THR H 2.800 2.600 3.000 2.793 2.746 2.824 . 0 0 "[ . 1 ]" 1
339 1 39 ALA H 1 40 THR HB 4.040 2.020 4.850 4.884 4.851 4.932 0.082 10 0 "[ . 1 ]" 1
340 1 39 ALA H 1 41 ARG H 4.200 3.800 4.600 3.796 3.713 3.861 0.087 5 0 "[ . 1 ]" 1
341 1 39 ALA HA 1 39 ALA MB 2.900 2.300 3.500 2.154 2.152 2.155 0.148 11 0 "[ . 1 ]" 1
342 1 39 ALA HA 1 40 THR H 3.500 3.300 3.700 3.564 3.556 3.569 . 0 0 "[ . 1 ]" 1
343 1 39 ALA HA 1 41 ARG H 4.200 4.000 4.400 4.000 3.965 4.036 0.035 4 0 "[ . 1 ]" 1
344 1 39 ALA HA 1 42 ASN H 3.400 3.200 3.600 3.576 3.453 3.635 0.035 10 0 "[ . 1 ]" 1
345 1 39 ALA HA 1 43 ARG H 4.200 3.700 4.700 4.490 4.157 4.723 0.023 11 0 "[ . 1 ]" 1
346 1 39 ALA MB 1 40 THR H 3.610 . 4.330 2.251 2.233 2.267 . 0 0 "[ . 1 ]" 1
347 1 40 THR H 1 40 THR HA 3.300 2.600 4.000 2.809 2.790 2.824 . 0 0 "[ . 1 ]" 1
348 1 40 THR H 1 40 THR HB 3.000 2.300 3.700 2.495 2.435 2.547 . 0 0 "[ . 1 ]" 1
349 1 40 THR H 1 40 THR MG 4.000 2.800 5.200 3.737 3.731 3.745 . 0 0 "[ . 1 ]" 1
350 1 40 THR H 1 41 ARG H 2.800 2.600 3.000 2.647 2.603 2.696 . 0 0 "[ . 1 ]" 1
351 1 40 THR H 1 41 ARG HA 4.360 2.280 5.190 5.229 5.194 5.275 0.085 3 0 "[ . 1 ]" 1
352 1 40 THR H 1 41 ARG QB 3.690 . 4.430 4.420 4.351 4.470 0.040 3 0 "[ . 1 ]" 1
353 1 40 THR H 1 42 ASN H 4.200 3.700 4.700 4.419 4.335 4.483 . 0 0 "[ . 1 ]" 1
354 1 40 THR HA 1 40 THR MG 3.200 2.400 4.000 2.350 2.328 2.386 0.072 10 0 "[ . 1 ]" 1
355 1 40 THR HA 1 41 ARG H 3.500 3.000 3.700 3.460 3.449 3.479 . 0 0 "[ . 1 ]" 1
356 1 40 THR HA 1 42 ASN H 4.400 3.900 4.900 4.375 4.221 4.471 . 0 0 "[ . 1 ]" 1
357 1 40 THR HA 1 43 ARG H 4.500 3.500 5.500 3.445 3.401 3.529 0.099 2 0 "[ . 1 ]" 1
358 1 40 THR HA 1 44 VAL H 4.200 3.200 5.200 3.904 3.367 4.404 . 0 0 "[ . 1 ]" 1
359 1 40 THR HB 1 40 THR MG 3.500 . 4.200 2.144 2.137 2.149 . 0 0 "[ . 1 ]" 1
360 1 40 THR HB 1 41 ARG H 3.590 . 4.310 3.023 2.946 3.074 . 0 0 "[ . 1 ]" 1
361 1 40 THR MG 1 41 ARG H 4.050 2.020 4.860 3.749 3.649 3.801 . 0 0 "[ . 1 ]" 1
362 1 41 ARG H 1 41 ARG HA 3.300 2.600 4.000 2.858 2.850 2.866 . 0 0 "[ . 1 ]" 1
363 1 41 ARG H 1 41 ARG QB 2.900 2.300 3.500 2.273 2.234 2.289 0.066 10 0 "[ . 1 ]" 1
364 1 41 ARG H 1 41 ARG QD 4.100 3.300 4.900 4.504 4.162 4.844 . 0 0 "[ . 1 ]" 1
365 1 41 ARG H 1 42 ASN H 2.800 2.600 3.000 2.564 2.530 2.586 0.070 9 0 "[ . 1 ]" 1
366 1 41 ARG H 1 42 ASN HA 4.300 2.250 5.120 5.199 5.174 5.219 0.099 10 0 "[ . 1 ]" 1
367 1 41 ARG H 1 42 ASN QB 4.680 2.340 5.620 4.432 4.341 4.679 . 0 0 "[ . 1 ]" 1
368 1 41 ARG H 1 43 ARG H 4.200 3.900 4.500 4.011 3.902 4.144 . 0 0 "[ . 1 ]" 1
369 1 41 ARG HA 1 41 ARG QB 3.000 2.400 3.600 2.396 2.348 2.480 0.052 11 0 "[ . 1 ]" 1
370 1 41 ARG HA 1 42 ASN H 3.500 3.200 3.800 3.542 3.519 3.559 . 0 0 "[ . 1 ]" 1
371 1 41 ARG HA 1 43 ARG H 4.400 4.100 4.700 4.490 4.212 4.753 0.053 5 0 "[ . 1 ]" 1
372 1 41 ARG HA 1 44 VAL H 3.400 3.000 3.900 3.701 3.428 3.931 0.031 5 0 "[ . 1 ]" 1
373 1 41 ARG HA 1 45 GLU H 4.200 3.700 4.700 4.109 3.907 4.301 . 0 0 "[ . 1 ]" 1
374 1 42 ASN H 1 42 ASN HA 3.300 2.600 4.000 2.849 2.829 2.867 . 0 0 "[ . 1 ]" 1
375 1 42 ASN H 1 42 ASN QB 2.900 2.300 3.500 2.314 2.261 2.488 0.039 1 0 "[ . 1 ]" 1
376 1 42 ASN H 1 43 ARG H 2.800 2.600 3.000 2.588 2.554 2.635 0.046 4 0 "[ . 1 ]" 1
377 1 42 ASN H 1 43 ARG QB 3.130 . 4.630 4.460 4.297 4.591 . 0 0 "[ . 1 ]" 1
378 1 42 ASN H 1 44 VAL H 4.200 3.700 4.700 4.174 4.046 4.271 . 0 0 "[ . 1 ]" 1
379 1 42 ASN H 1 45 GLU H 4.500 3.500 5.500 4.832 4.711 5.002 . 0 0 "[ . 1 ]" 1
380 1 42 ASN HA 1 42 ASN QB 2.800 2.200 3.400 2.384 2.343 2.412 . 0 0 "[ . 1 ]" 1
381 1 42 ASN HA 1 43 ARG H 3.500 3.300 3.700 3.536 3.496 3.568 . 0 0 "[ . 1 ]" 1
382 1 42 ASN HA 1 44 VAL H 4.400 4.200 4.600 4.528 4.261 4.656 0.056 4 0 "[ . 1 ]" 1
383 1 42 ASN HA 1 45 GLU H 3.400 3.200 3.600 3.629 3.515 3.694 0.094 5 0 "[ . 1 ]" 1
384 1 42 ASN HA 1 46 LYS H 4.200 4.000 4.400 4.320 4.213 4.444 0.044 5 0 "[ . 1 ]" 1
385 1 42 ASN QB 1 43 ARG H 3.540 . 4.250 2.620 2.462 2.757 . 0 0 "[ . 1 ]" 1
386 1 43 ARG H 1 43 ARG HA 3.300 2.600 4.000 2.832 2.807 2.853 . 0 0 "[ . 1 ]" 1
387 1 43 ARG H 1 43 ARG QB 2.800 2.200 3.400 2.307 2.219 2.385 . 0 0 "[ . 1 ]" 1
388 1 43 ARG H 1 44 VAL H 2.800 2.600 3.000 2.648 2.568 2.764 0.032 8 0 "[ . 1 ]" 1
389 1 43 ARG H 1 44 VAL HA 4.200 2.260 5.200 5.255 5.197 5.332 0.132 9 0 "[ . 1 ]" 1
390 1 43 ARG H 1 44 VAL MG1 4.740 2.370 5.690 5.346 4.191 5.799 0.109 7 0 "[ . 1 ]" 1
391 1 43 ARG H 1 45 GLU H 4.200 4.000 4.400 4.219 4.166 4.309 . 0 0 "[ . 1 ]" 1
392 1 43 ARG HA 1 43 ARG QB 2.800 2.200 3.400 2.402 2.375 2.422 . 0 0 "[ . 1 ]" 1
393 1 43 ARG HA 1 44 VAL H 3.500 3.200 3.800 3.551 3.519 3.579 . 0 0 "[ . 1 ]" 1
394 1 43 ARG HA 1 45 GLU H 4.400 4.100 4.700 4.610 4.500 4.699 . 0 0 "[ . 1 ]" 1
395 1 43 ARG HA 1 46 LYS H 3.400 3.100 3.700 3.688 3.577 3.773 0.073 10 0 "[ . 1 ]" 1
396 1 43 ARG HA 1 47 ALA H 4.200 3.900 4.500 4.026 3.858 4.269 0.042 10 0 "[ . 1 ]" 1
397 1 43 ARG QB 1 44 VAL H 3.330 . 4.000 2.499 2.403 2.704 . 0 0 "[ . 1 ]" 1
398 1 44 VAL H 1 44 VAL HA 3.300 2.600 4.000 2.814 2.800 2.845 . 0 0 "[ . 1 ]" 1
399 1 44 VAL H 1 44 VAL MG1 3.300 2.100 4.500 3.294 2.080 3.729 0.020 9 0 "[ . 1 ]" 1
400 1 44 VAL H 1 44 VAL MG2 3.000 . 3.900 2.388 1.964 3.755 0.036 4 0 "[ . 1 ]" 1
401 1 44 VAL H 1 45 GLU H 2.800 2.500 3.100 2.737 2.607 2.804 . 0 0 "[ . 1 ]" 1
402 1 44 VAL H 1 46 LYS H 4.200 4.000 4.400 4.367 4.191 4.451 0.051 7 0 "[ . 1 ]" 1
403 1 44 VAL HA 1 44 VAL HB 3.100 2.500 3.700 2.878 2.468 3.026 0.032 9 0 "[ . 1 ]" 1
404 1 44 VAL HA 1 44 VAL MG1 3.200 2.500 3.900 2.527 2.406 3.195 0.094 9 0 "[ . 1 ]" 1
405 1 44 VAL HA 1 44 VAL MG2 2.900 2.200 3.600 2.461 2.250 3.197 . 0 0 "[ . 1 ]" 1
406 1 44 VAL HA 1 45 GLU H 3.500 3.000 4.000 3.561 3.546 3.570 . 0 0 "[ . 1 ]" 1
407 1 44 VAL HA 1 46 LYS H 4.400 3.900 4.900 4.539 4.385 4.734 . 0 0 "[ . 1 ]" 1
408 1 44 VAL HB 1 44 VAL MG1 3.500 . 4.200 2.145 2.143 2.146 . 0 0 "[ . 1 ]" 1
409 1 44 VAL HB 1 44 VAL MG2 3.400 . 4.100 2.146 2.145 2.150 . 0 0 "[ . 1 ]" 1
410 1 44 VAL MG1 1 45 GLU H 4.060 2.030 4.870 3.081 1.946 3.845 0.084 5 0 "[ . 1 ]" 1
411 1 44 VAL MG2 1 45 GLU H 4.130 . 5.060 3.548 1.918 3.984 0.042 4 0 "[ . 1 ]" 1
412 1 45 GLU H 1 45 GLU HA 3.300 2.600 4.000 2.762 2.757 2.767 . 0 0 "[ . 1 ]" 1
413 1 45 GLU H 1 45 GLU QB 3.000 2.400 3.600 2.281 2.252 2.356 0.148 7 0 "[ . 1 ]" 1
414 1 45 GLU H 1 45 GLU QG 3.400 2.400 4.400 3.845 2.345 4.077 0.055 3 0 "[ . 1 ]" 1
415 1 45 GLU H 1 46 LYS H 2.800 2.500 3.100 2.936 2.871 3.018 . 0 0 "[ . 1 ]" 1
416 1 45 GLU H 1 47 ALA H 4.200 3.900 4.500 4.094 4.032 4.181 . 0 0 "[ . 1 ]" 1
417 1 45 GLU HA 1 45 GLU QB 2.900 2.300 3.500 2.365 2.340 2.446 . 0 0 "[ . 1 ]" 1
418 1 45 GLU HA 1 45 GLU QG 3.000 2.400 3.600 2.456 2.359 2.738 0.041 1 0 "[ . 1 ]" 1
419 1 45 GLU HA 1 46 LYS H 3.500 3.100 3.900 3.579 3.561 3.599 . 0 0 "[ . 1 ]" 1
420 1 45 GLU HA 1 47 ALA H 4.400 4.000 4.800 4.526 4.419 4.638 . 0 0 "[ . 1 ]" 1
421 1 45 GLU HA 1 48 ALA H 3.400 3.000 3.800 3.702 3.552 3.812 0.012 9 0 "[ . 1 ]" 1
422 1 45 GLU QB 1 45 GLU QG 2.600 . 3.200 2.080 2.034 2.104 . 0 0 "[ . 1 ]" 1
423 1 45 GLU QB 1 46 LYS H 3.590 . 4.310 2.412 2.313 2.560 . 0 0 "[ . 1 ]" 1
424 1 45 GLU QG 1 46 LYS H 4.320 2.160 5.180 3.503 3.171 4.206 . 0 0 "[ . 1 ]" 1
425 1 46 LYS H 1 46 LYS HA 3.300 2.600 4.000 2.859 2.855 2.864 . 0 0 "[ . 1 ]" 1
426 1 46 LYS H 1 46 LYS QB 2.900 2.300 3.500 2.284 2.255 2.349 0.045 2 0 "[ . 1 ]" 1
427 1 46 LYS H 1 46 LYS QG 3.300 2.500 4.100 3.288 2.420 4.061 0.080 10 0 "[ . 1 ]" 1
428 1 46 LYS H 1 47 ALA H 2.800 2.600 3.000 2.545 2.516 2.575 0.084 4 0 "[ . 1 ]" 1
429 1 46 LYS H 1 48 ALA H 4.200 3.400 5.000 3.923 3.841 4.029 . 0 0 "[ . 1 ]" 1
430 1 46 LYS HA 1 46 LYS QB 2.600 2.100 3.100 2.381 2.177 2.432 . 0 0 "[ . 1 ]" 1
431 1 46 LYS HA 1 46 LYS QG 3.000 2.400 3.600 2.471 2.317 3.299 0.083 6 0 "[ . 1 ]" 1
432 1 46 LYS HA 1 47 ALA H 3.500 3.200 3.800 3.527 3.513 3.539 . 0 0 "[ . 1 ]" 1
433 1 46 LYS HA 1 48 ALA H 4.000 3.700 4.300 3.889 3.692 4.027 0.008 9 0 "[ . 1 ]" 1
434 1 46 LYS HA 1 49 ARG H 3.400 3.100 3.700 3.534 3.344 3.725 0.025 11 0 "[ . 1 ]" 1
435 1 46 LYS HA 1 50 GLU H 4.200 3.800 4.600 4.465 4.138 4.655 0.055 2 0 "[ . 1 ]" 1
436 1 46 LYS QB 1 46 LYS QG 2.700 2.200 3.200 2.101 2.059 2.114 0.141 2 0 "[ . 1 ]" 1
437 1 46 LYS QB 1 47 ALA H 3.090 . 3.710 2.734 2.582 3.451 . 0 0 "[ . 1 ]" 1
438 1 47 ALA H 1 47 ALA HA 3.300 2.600 4.000 2.838 2.791 2.866 . 0 0 "[ . 1 ]" 1
439 1 47 ALA H 1 47 ALA MB 3.500 2.200 4.200 2.223 2.193 2.246 0.007 3 0 "[ . 1 ]" 1
440 1 47 ALA H 1 48 ALA H 2.800 2.500 3.100 2.567 2.461 2.708 0.039 2 0 "[ . 1 ]" 1
441 1 47 ALA H 1 49 ARG H 4.200 3.900 4.500 4.400 4.259 4.542 0.042 3 0 "[ . 1 ]" 1
442 1 47 ALA HA 1 47 ALA MB 2.700 2.100 3.300 2.135 2.129 2.142 . 0 0 "[ . 1 ]" 1
443 1 47 ALA HA 1 48 ALA H 3.500 3.200 3.800 3.452 3.447 3.461 . 0 0 "[ . 1 ]" 1
444 1 47 ALA HA 1 49 ARG H 4.400 4.100 4.700 4.376 4.233 4.519 . 0 0 "[ . 1 ]" 1
445 1 47 ALA HA 1 50 GLU H 3.400 3.100 3.700 3.388 3.193 3.490 . 0 0 "[ . 1 ]" 1
446 1 47 ALA HA 1 51 VAL H 4.200 3.400 5.000 4.044 3.415 4.669 . 0 0 "[ . 1 ]" 1
447 1 47 ALA MB 1 48 ALA H 3.770 . 4.520 2.919 2.881 2.961 . 0 0 "[ . 1 ]" 1
448 1 48 ALA H 1 48 ALA HA 3.300 2.600 4.000 2.859 2.826 2.872 . 0 0 "[ . 1 ]" 1
449 1 48 ALA H 1 48 ALA MB 2.500 . 3.200 2.229 2.208 2.258 . 0 0 "[ . 1 ]" 1
450 1 48 ALA H 1 49 ARG H 2.800 2.600 3.000 2.575 2.525 2.705 0.075 1 0 "[ . 1 ]" 1
451 1 48 ALA H 1 50 GLU H 4.200 3.700 4.700 3.941 3.810 4.037 . 0 0 "[ . 1 ]" 1
452 1 48 ALA HA 1 48 ALA MB 3.400 . 4.100 2.138 2.135 2.142 . 0 0 "[ . 1 ]" 1
453 1 48 ALA HA 1 49 ARG H 3.500 3.000 4.000 3.548 3.535 3.560 . 0 0 "[ . 1 ]" 1
454 1 48 ALA HA 1 50 GLU H 4.400 3.900 4.900 4.473 4.257 4.780 . 0 0 "[ . 1 ]" 1
455 1 48 ALA MB 1 51 VAL HB 6.000 2.900 6.100 5.640 4.753 6.163 0.063 10 0 "[ . 1 ]" 1
456 1 48 ALA MB 1 53 TYR QB 6.000 3.000 6.100 4.508 3.156 6.159 0.059 1 0 "[ . 1 ]" 1
457 1 49 ARG H 1 49 ARG HA 3.300 2.600 4.000 2.860 2.830 2.881 . 0 0 "[ . 1 ]" 1
458 1 49 ARG H 1 49 ARG QB 2.800 2.200 3.400 2.274 2.240 2.314 . 0 0 "[ . 1 ]" 1
459 1 49 ARG H 1 49 ARG QD 4.300 3.400 5.200 4.499 3.715 4.883 . 0 0 "[ . 1 ]" 1
460 1 49 ARG H 1 49 ARG QG 3.300 2.500 4.100 3.566 2.465 4.059 0.035 9 0 "[ . 1 ]" 1
461 1 49 ARG H 1 50 GLU H 2.800 2.600 3.000 2.534 2.467 2.594 0.133 8 0 "[ . 1 ]" 1
462 1 49 ARG H 1 50 GLU QG 4.460 . 6.050 5.316 4.274 6.177 0.127 2 0 "[ . 1 ]" 1
463 1 49 ARG H 1 51 VAL H 4.200 3.700 4.400 4.299 4.108 4.465 0.065 7 0 "[ . 1 ]" 1
464 1 49 ARG HA 1 49 ARG QB 3.000 2.300 3.700 2.390 2.338 2.440 . 0 0 "[ . 1 ]" 1
465 1 49 ARG HA 1 49 ARG QG 3.100 2.400 3.800 2.421 2.333 2.727 0.067 8 0 "[ . 1 ]" 1
466 1 49 ARG HA 1 50 GLU H 3.500 3.000 4.000 3.529 3.516 3.553 . 0 0 "[ . 1 ]" 1
467 1 49 ARG HA 1 51 VAL H 4.400 3.900 4.900 4.513 4.381 4.698 . 0 0 "[ . 1 ]" 1
468 1 49 ARG HA 1 52 GLY H 3.400 2.900 3.900 3.325 3.053 3.575 . 0 0 "[ . 1 ]" 1
469 1 49 ARG QB 1 49 ARG QD 2.500 . 3.200 2.343 2.197 2.591 . 0 0 "[ . 1 ]" 1
470 1 49 ARG QB 1 49 ARG QG 2.800 2.200 3.400 2.096 2.042 2.113 0.158 9 0 "[ . 1 ]" 1
471 1 49 ARG QB 1 50 GLU H 3.690 . 4.430 2.656 2.489 2.722 . 0 0 "[ . 1 ]" 1
472 1 49 ARG QG 1 50 GLU H 4.010 2.010 4.810 3.859 3.483 4.234 . 0 0 "[ . 1 ]" 1
473 1 50 GLU H 1 50 GLU HA 3.300 2.600 4.000 2.802 2.770 2.849 . 0 0 "[ . 1 ]" 1
474 1 50 GLU H 1 50 GLU QB 3.000 2.300 3.700 2.265 2.200 2.333 0.100 2 0 "[ . 1 ]" 1
475 1 50 GLU H 1 50 GLU QG 3.100 2.400 3.800 3.230 2.365 4.024 0.224 2 0 "[ . 1 ]" 1
476 1 50 GLU H 1 51 VAL H 2.800 2.600 3.000 2.776 2.599 2.864 0.001 8 0 "[ . 1 ]" 1
477 1 50 GLU H 1 51 VAL HA 4.490 2.250 5.390 5.367 5.224 5.430 0.040 7 0 "[ . 1 ]" 1
478 1 50 GLU H 1 51 VAL QG 4.780 2.390 5.740 3.963 3.555 4.431 . 0 0 "[ . 1 ]" 1
479 1 50 GLU H 1 52 GLY H 4.200 3.700 4.700 3.777 3.681 3.950 0.019 7 0 "[ . 1 ]" 1
480 1 50 GLU HA 1 50 GLU QB 2.800 2.200 3.400 2.424 2.387 2.446 . 0 0 "[ . 1 ]" 1
481 1 50 GLU HA 1 50 GLU QG 2.900 2.300 3.500 2.444 2.254 2.661 0.046 5 0 "[ . 1 ]" 1
482 1 50 GLU HA 1 51 VAL H 3.500 3.000 3.700 3.565 3.551 3.577 . 0 0 "[ . 1 ]" 1
483 1 50 GLU QB 1 50 GLU QG 2.800 2.200 3.400 2.078 2.037 2.112 0.163 8 0 "[ . 1 ]" 1
484 1 50 GLU QB 1 51 VAL H 3.410 . 4.090 2.444 2.304 2.589 . 0 0 "[ . 1 ]" 1
485 1 51 VAL H 1 51 VAL HA 3.300 2.600 4.000 2.885 2.872 2.930 . 0 0 "[ . 1 ]" 1
486 1 51 VAL H 1 51 VAL HB 3.200 2.500 3.900 2.725 2.405 3.606 0.095 1 0 "[ . 1 ]" 1
487 1 51 VAL H 1 51 VAL QG 2.300 . 3.000 2.052 1.762 2.420 . 0 0 "[ . 1 ]" 1
488 1 51 VAL H 1 52 GLY H 2.800 2.500 3.000 2.477 2.365 2.576 0.135 1 0 "[ . 1 ]" 1
489 1 51 VAL H 1 52 GLY QA 4.010 2.010 4.810 4.360 4.242 4.467 . 0 0 "[ . 1 ]" 1
490 1 51 VAL H 1 53 TYR H 4.200 3.700 4.700 4.348 3.996 4.727 0.027 3 0 "[ . 1 ]" 1
491 1 51 VAL HA 1 51 VAL HB 2.800 2.200 3.400 2.642 2.441 3.036 . 0 0 "[ . 1 ]" 1
492 1 51 VAL HA 1 51 VAL QG 2.200 . 2.800 2.180 2.037 2.262 . 0 0 "[ . 1 ]" 1
493 1 51 VAL HA 1 52 GLY H 3.500 2.700 4.300 3.379 3.277 3.466 . 0 0 "[ . 1 ]" 1
494 1 51 VAL HA 1 53 TYR H 4.400 3.600 5.200 4.864 4.051 5.209 0.009 5 0 "[ . 1 ]" 1
495 1 51 VAL HB 1 51 VAL QG 3.100 . 3.700 1.911 1.906 1.913 . 0 0 "[ . 1 ]" 1
496 1 51 VAL QG 1 52 GLY H 4.120 2.060 4.940 2.824 2.296 3.633 . 0 0 "[ . 1 ]" 1
497 1 51 VAL QG 1 52 GLY QA 6.000 3.000 6.100 3.583 3.264 4.091 . 0 0 "[ . 1 ]" 1
498 1 51 VAL QG 1 53 TYR QB 5.000 . 6.000 2.188 2.005 3.154 . 0 0 "[ . 1 ]" 1
499 1 52 GLY H 1 52 GLY HA3 3.200 2.600 3.800 2.777 2.704 2.898 . 0 0 "[ . 1 ]" 1
500 1 52 GLY H 1 53 TYR H 2.800 2.300 3.300 2.909 2.460 3.049 . 0 0 "[ . 1 ]" 1
501 1 52 GLY H 1 53 TYR QB 3.910 . 4.790 4.607 4.180 4.909 0.119 6 0 "[ . 1 ]" 1
502 1 52 GLY HA3 1 53 TYR H 3.550 . 4.260 3.502 2.926 3.576 . 0 0 "[ . 1 ]" 1
503 1 53 TYR H 1 53 TYR HA 3.300 2.600 4.000 2.926 2.884 2.967 . 0 0 "[ . 1 ]" 1
504 1 53 TYR H 1 53 TYR QB 3.100 2.400 3.800 2.418 2.253 2.701 0.147 6 0 "[ . 1 ]" 1
505 1 53 TYR H 1 54 LEU HG 3.530 . 4.540 4.513 4.207 4.619 0.079 6 0 "[ . 1 ]" 1
506 1 53 TYR HA 1 53 TYR QB 2.500 . 3.200 2.397 2.339 2.511 . 0 0 "[ . 1 ]" 1
507 1 53 TYR HA 1 53 TYR QE 3.700 3.000 4.400 4.417 4.316 4.486 0.086 5 0 "[ . 1 ]" 1
508 1 53 TYR HA 1 54 LEU H 3.000 . 3.180 2.163 2.130 2.258 . 0 0 "[ . 1 ]" 1
509 1 53 TYR QB 1 53 TYR QE 4.000 3.200 4.800 3.970 3.963 3.980 . 0 0 "[ . 1 ]" 1
510 1 53 TYR QB 1 54 LEU H 3.460 . 4.150 3.749 3.500 3.880 . 0 0 "[ . 1 ]" 1
511 1 54 LEU H 1 54 LEU HA 3.300 2.600 4.000 2.945 2.895 2.966 . 0 0 "[ . 1 ]" 1
512 1 54 LEU H 1 54 LEU QB 3.000 2.400 3.600 2.670 2.346 3.328 0.054 7 0 "[ . 1 ]" 1
513 1 54 LEU H 1 54 LEU MD1 4.000 3.200 4.800 3.744 3.343 3.926 . 0 0 "[ . 1 ]" 1
514 1 54 LEU H 1 54 LEU MD2 4.200 3.400 5.000 4.067 3.345 4.454 0.055 1 0 "[ . 1 ]" 1
515 1 54 LEU H 1 54 LEU HG 2.900 2.300 3.500 3.001 2.215 3.509 0.085 2 0 "[ . 1 ]" 1
516 1 54 LEU HA 1 54 LEU QB 2.900 2.300 3.500 2.379 2.174 2.491 0.126 1 0 "[ . 1 ]" 1
517 1 54 LEU HA 1 54 LEU MD1 3.200 2.600 3.800 3.844 3.757 3.974 0.174 1 0 "[ . 1 ]" 1
518 1 54 LEU HA 1 54 LEU QD 3.400 2.400 4.400 2.527 2.306 3.468 0.094 3 0 "[ . 1 ]" 1
519 1 54 LEU HA 1 54 LEU MD2 3.600 2.400 4.800 2.609 2.323 3.844 0.077 3 0 "[ . 1 ]" 1
520 1 54 LEU HA 1 54 LEU HG 3.100 2.400 3.800 2.793 2.405 3.566 . 0 0 "[ . 1 ]" 1
521 1 54 LEU QB 1 54 LEU MD1 3.400 . 4.100 2.112 2.095 2.123 . 0 0 "[ . 1 ]" 1
522 1 54 LEU QB 1 54 LEU MD2 3.400 . 4.100 2.166 2.112 2.214 . 0 0 "[ . 1 ]" 1
523 1 54 LEU QB 1 54 LEU HG 2.100 . 2.500 2.508 2.409 2.581 0.081 1 0 "[ . 1 ]" 1
524 1 54 LEU MD1 1 54 LEU HG 2.700 2.100 3.300 2.145 2.140 2.148 . 0 0 "[ . 1 ]" 1
525 1 54 LEU MD2 1 54 LEU HG 2.700 2.100 3.300 2.154 2.147 2.157 . 0 0 "[ . 1 ]" 1
526 1 55 PRO HA 1 55 PRO QB 2.800 2.200 3.400 2.215 2.200 2.259 . 0 0 "[ . 1 ]" 1
527 1 55 PRO HA 1 55 PRO QD 3.800 3.000 4.600 3.384 3.272 3.417 . 0 0 "[ . 1 ]" 1
528 1 55 PRO HA 1 55 PRO QG 3.300 2.600 4.000 3.335 2.839 3.515 . 0 0 "[ . 1 ]" 1
529 1 55 PRO QB 1 55 PRO QD 3.000 2.400 3.600 2.769 2.743 2.820 . 0 0 "[ . 1 ]" 1
530 1 55 PRO QB 1 55 PRO QG 2.600 2.100 3.100 1.976 1.974 1.976 0.126 1 0 "[ . 1 ]" 1
531 1 55 PRO QD 1 55 PRO QG 2.400 . 2.900 1.986 1.984 1.990 . 0 0 "[ . 1 ]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, June 3, 2024 10:45:09 AM GMT (wattos1)