NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
383596 |
1k19   |
5094 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k19
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 1220
_Distance_constraint_stats_list.Viol_count 3010
_Distance_constraint_stats_list.Viol_total 2668.937
_Distance_constraint_stats_list.Viol_max 0.354
_Distance_constraint_stats_list.Viol_rms 0.0206
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0443
_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 3 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 TYR 1.648 0.136 6 0 "[ . 1 . 2]"
1 5 THR 2.319 0.176 16 0 "[ . 1 . 2]"
1 6 ASP 0.886 0.176 16 0 "[ . 1 . 2]"
1 7 LYS 2.059 0.180 16 0 "[ . 1 . 2]"
1 8 TYR 3.570 0.180 16 0 "[ . 1 . 2]"
1 9 ASP 0.862 0.140 9 0 "[ . 1 . 2]"
1 10 ASN 0.165 0.046 11 0 "[ . 1 . 2]"
1 11 ILE 1.970 0.168 12 0 "[ . 1 . 2]"
1 12 ASN 1.224 0.148 1 0 "[ . 1 . 2]"
1 13 LEU 4.045 0.158 2 0 "[ . 1 . 2]"
1 14 ASP 2.722 0.264 12 0 "[ . 1 . 2]"
1 15 GLU 0.234 0.100 15 0 "[ . 1 . 2]"
1 16 ILE 2.302 0.158 2 0 "[ . 1 . 2]"
1 17 LEU 1.753 0.186 6 0 "[ . 1 . 2]"
1 18 ALA 0.830 0.118 13 0 "[ . 1 . 2]"
1 19 ASN 2.518 0.119 10 0 "[ . 1 . 2]"
1 20 LYS 2.164 0.090 19 0 "[ . 1 . 2]"
1 21 ARG 1.160 0.069 6 0 "[ . 1 . 2]"
1 22 LEU 2.282 0.094 8 0 "[ . 1 . 2]"
1 23 LEU 2.760 0.135 19 0 "[ . 1 . 2]"
1 24 VAL 4.026 0.094 8 0 "[ . 1 . 2]"
1 25 ALA 3.617 0.113 5 0 "[ . 1 . 2]"
1 26 TYR 2.921 0.180 17 0 "[ . 1 . 2]"
1 27 VAL 2.310 0.099 5 0 "[ . 1 . 2]"
1 28 ASN 2.124 0.113 5 0 "[ . 1 . 2]"
1 29 CYS 2.056 0.180 17 0 "[ . 1 . 2]"
1 30 VAL 1.869 0.113 15 0 "[ . 1 . 2]"
1 31 MET 1.156 0.113 15 0 "[ . 1 . 2]"
1 32 GLU 2.465 0.132 17 0 "[ . 1 . 2]"
1 33 ARG 1.504 0.095 5 0 "[ . 1 . 2]"
1 34 GLY 0.756 0.128 14 0 "[ . 1 . 2]"
1 35 LYS 0.882 0.085 2 0 "[ . 1 . 2]"
1 36 CYS 0.737 0.132 17 0 "[ . 1 . 2]"
1 37 SER 0.138 0.054 16 0 "[ . 1 . 2]"
1 39 GLU 1.358 0.132 17 0 "[ . 1 . 2]"
1 40 GLY 1.713 0.109 12 0 "[ . 1 . 2]"
1 41 LYS 3.716 0.156 14 0 "[ . 1 . 2]"
1 42 GLU 1.929 0.074 15 0 "[ . 1 . 2]"
1 43 LEU 0.599 0.069 10 0 "[ . 1 . 2]"
1 44 LYS 1.679 0.091 9 0 "[ . 1 . 2]"
1 45 GLU 1.624 0.091 14 0 "[ . 1 . 2]"
1 46 HIS 0.882 0.067 12 0 "[ . 1 . 2]"
1 47 LEU 2.773 0.215 11 0 "[ . 1 . 2]"
1 48 GLN 1.620 0.227 11 0 "[ . 1 . 2]"
1 49 ASP 0.030 0.030 10 0 "[ . 1 . 2]"
1 50 ALA 2.155 0.256 5 0 "[ . 1 . 2]"
1 51 ILE 0.491 0.227 11 0 "[ . 1 . 2]"
1 53 ASN 2.896 0.246 5 0 "[ . 1 . 2]"
1 54 GLY 0.299 0.106 11 0 "[ . 1 . 2]"
1 55 CYS 2.573 0.256 5 0 "[ . 1 . 2]"
1 56 LYS 1.075 0.179 16 0 "[ . 1 . 2]"
1 57 LYS 1.264 0.201 5 0 "[ . 1 . 2]"
1 58 CYS 0.562 0.067 18 0 "[ . 1 . 2]"
1 59 THR 3.042 0.354 2 0 "[ . 1 . 2]"
1 60 GLU 3.010 0.213 5 0 "[ . 1 . 2]"
1 61 ASN 2.920 0.354 2 0 "[ . 1 . 2]"
1 62 GLN 0.508 0.088 2 0 "[ . 1 . 2]"
1 63 GLU 3.035 0.213 5 0 "[ . 1 . 2]"
1 64 LYS 5.149 0.142 18 0 "[ . 1 . 2]"
1 65 GLY 0.004 0.004 2 0 "[ . 1 . 2]"
1 66 ALA 2.836 0.113 2 0 "[ . 1 . 2]"
1 67 TYR 2.359 0.121 5 0 "[ . 1 . 2]"
1 68 ARG 2.452 0.110 7 0 "[ . 1 . 2]"
1 69 VAL 5.277 0.186 6 0 "[ . 1 . 2]"
1 70 ILE 6.445 0.234 13 0 "[ . 1 . 2]"
1 71 GLU 0.936 0.067 2 0 "[ . 1 . 2]"
1 72 HIS 2.964 0.110 7 0 "[ . 1 . 2]"
1 73 LEU 1.491 0.084 8 0 "[ . 1 . 2]"
1 74 ILE 3.765 0.171 15 0 "[ . 1 . 2]"
1 75 LYS 3.110 0.166 17 0 "[ . 1 . 2]"
1 76 ASN 0.389 0.173 19 0 "[ . 1 . 2]"
1 77 GLU 6.381 0.173 19 0 "[ . 1 . 2]"
1 78 ILE 7.839 0.183 2 0 "[ . 1 . 2]"
1 79 GLU 2.675 0.114 9 0 "[ . 1 . 2]"
1 80 ILE 3.160 0.155 19 0 "[ . 1 . 2]"
1 81 TRP 1.998 0.156 6 0 "[ . 1 . 2]"
1 82 ARG 1.873 0.122 11 0 "[ . 1 . 2]"
1 83 GLU 1.258 0.138 11 0 "[ . 1 . 2]"
1 84 LEU 1.916 0.122 11 0 "[ . 1 . 2]"
1 85 THR 1.593 0.223 11 0 "[ . 1 . 2]"
1 86 ALA 0.591 0.132 6 0 "[ . 1 . 2]"
1 87 LYS 2.143 0.138 11 0 "[ . 1 . 2]"
1 88 TYR 4.305 0.216 11 0 "[ . 1 . 2]"
1 89 ASP 0.946 0.223 11 0 "[ . 1 . 2]"
1 90 PRO 0.029 0.016 8 0 "[ . 1 . 2]"
1 91 THR 1.698 0.222 4 0 "[ . 1 . 2]"
1 92 GLY 1.445 0.222 4 0 "[ . 1 . 2]"
1 93 ASN 1.851 0.225 18 0 "[ . 1 . 2]"
1 94 TRP 2.937 0.246 5 0 "[ . 1 . 2]"
1 95 ARG 0.505 0.096 11 0 "[ . 1 . 2]"
1 96 LYS 1.477 0.127 13 0 "[ . 1 . 2]"
1 97 LYS 2.805 0.090 7 0 "[ . 1 . 2]"
1 98 TYR 6.664 0.234 13 0 "[ . 1 . 2]"
1 99 GLU 1.362 0.104 11 0 "[ . 1 . 2]"
1 100 ASP 2.498 0.117 12 0 "[ . 1 . 2]"
1 101 ARG 1.650 0.081 15 0 "[ . 1 . 2]"
1 102 ALA 1.047 0.036 5 0 "[ . 1 . 2]"
1 103 LYS 0.822 0.039 19 0 "[ . 1 . 2]"
1 104 ALA 0.273 0.024 5 0 "[ . 1 . 2]"
1 105 ALA 2.718 0.104 5 0 "[ . 1 . 2]"
1 106 GLY 2.041 0.053 16 0 "[ . 1 . 2]"
1 107 ILE 0.629 0.035 16 0 "[ . 1 . 2]"
1 108 VAL 2.191 0.125 10 0 "[ . 1 . 2]"
1 109 ILE 1.721 0.183 2 0 "[ . 1 . 2]"
1 110 PRO 2.063 0.138 6 0 "[ . 1 . 2]"
1 111 GLU 0.880 0.070 7 0 "[ . 1 . 2]"
1 112 GLU 1.694 0.093 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS QG 1 4 TYR H 5.300 . 5.300 3.644 1.986 4.533 . 0 0 "[ . 1 . 2]" 1
2 1 4 TYR CG 1 5 THR HA 6.000 . 6.000 5.081 4.141 5.851 . 0 0 "[ . 1 . 2]" 1
3 1 4 TYR CG 1 6 ASP QB 9.000 . 9.000 6.734 3.328 7.701 . 0 0 "[ . 1 . 2]" 1
4 1 4 TYR CZ 1 6 ASP QB 9.000 . 9.000 7.298 2.489 8.046 . 0 0 "[ . 1 . 2]" 1
5 1 4 TYR CZ 1 7 LYS QB 7.400 . 7.400 5.965 3.969 6.593 . 0 0 "[ . 1 . 2]" 1
6 1 4 TYR H 1 4 TYR HB2 3.800 . 3.800 3.229 2.371 3.936 0.136 6 0 "[ . 1 . 2]" 1
7 1 4 TYR H 1 4 TYR QB 3.500 . 3.500 2.814 2.227 3.110 . 0 0 "[ . 1 . 2]" 1
8 1 4 TYR H 1 4 TYR HB3 3.800 . 3.800 3.207 2.543 3.872 0.072 10 0 "[ . 1 . 2]" 1
9 1 4 TYR H 1 5 THR H 4.200 . 4.200 3.552 1.983 4.307 0.107 2 0 "[ . 1 . 2]" 1
10 1 4 TYR HA 1 5 THR H 3.400 . 3.400 2.989 2.298 3.501 0.101 11 0 "[ . 1 . 2]" 1
11 1 4 TYR QB 1 5 THR H 3.600 . 3.600 2.603 1.826 3.237 . 0 0 "[ . 1 . 2]" 1
12 1 4 TYR HB2 1 5 THR H 3.800 . 3.800 3.379 1.834 3.865 0.065 10 0 "[ . 1 . 2]" 1
13 1 4 TYR HB3 1 5 THR H 3.800 . 3.800 3.006 1.941 3.493 . 0 0 "[ . 1 . 2]" 1
14 1 5 THR H 1 5 THR HB 3.400 . 3.400 2.902 2.363 3.529 0.129 17 0 "[ . 1 . 2]" 1
15 1 5 THR H 1 5 THR HG1 3.900 . 3.900 2.351 1.908 3.116 . 0 0 "[ . 1 . 2]" 1
16 1 5 THR H 1 6 ASP H 6.000 . 6.000 4.072 2.330 4.652 . 0 0 "[ . 1 . 2]" 1
17 1 5 THR HA 1 6 ASP H 2.800 . 2.800 2.543 2.112 2.896 0.096 18 0 "[ . 1 . 2]" 1
18 1 5 THR HB 1 6 ASP H 4.200 . 4.200 3.716 1.916 4.376 0.176 16 0 "[ . 1 . 2]" 1
19 1 5 THR HG1 1 6 ASP H 6.100 . 6.100 2.925 1.953 3.486 . 0 0 "[ . 1 . 2]" 1
20 1 5 THR HG1 1 6 ASP QB 8.000 . 8.000 3.952 2.912 5.041 . 0 0 "[ . 1 . 2]" 1
21 1 5 THR HG1 1 7 LYS H 7.000 . 7.000 4.263 2.721 5.480 . 0 0 "[ . 1 . 2]" 1
22 1 5 THR HG1 1 8 TYR CG 9.000 . 9.000 6.475 4.647 7.148 . 0 0 "[ . 1 . 2]" 1
23 1 5 THR HG1 1 8 TYR CZ 9.000 . 9.000 6.136 2.954 7.149 . 0 0 "[ . 1 . 2]" 1
24 1 6 ASP H 1 6 ASP HA 2.900 . 2.900 2.711 2.247 2.927 0.027 20 0 "[ . 1 . 2]" 1
25 1 6 ASP H 1 6 ASP QB 3.800 . 3.800 2.653 2.165 3.354 . 0 0 "[ . 1 . 2]" 1
26 1 6 ASP H 1 7 LYS H 6.000 . 6.000 3.640 1.954 4.642 . 0 0 "[ . 1 . 2]" 1
27 1 6 ASP HA 1 7 LYS H 3.000 . 3.000 2.466 2.141 2.977 . 0 0 "[ . 1 . 2]" 1
28 1 6 ASP QB 1 8 TYR CG 9.000 . 9.000 7.209 4.757 8.020 . 0 0 "[ . 1 . 2]" 1
29 1 6 ASP QB 1 8 TYR CZ 9.000 . 9.000 7.460 4.018 8.023 . 0 0 "[ . 1 . 2]" 1
30 1 7 LYS H 1 7 LYS HB2 3.800 . 3.800 2.740 2.152 3.431 . 0 0 "[ . 1 . 2]" 1
31 1 7 LYS H 1 7 LYS QB 3.500 . 3.500 2.653 2.131 3.211 . 0 0 "[ . 1 . 2]" 1
32 1 7 LYS H 1 7 LYS HB3 3.800 . 3.800 3.666 3.442 3.867 0.067 1 0 "[ . 1 . 2]" 1
33 1 7 LYS H 1 7 LYS QE 7.000 . 7.000 4.632 3.686 5.620 . 0 0 "[ . 1 . 2]" 1
34 1 7 LYS H 1 8 TYR H 6.000 . 6.000 3.692 2.760 4.654 . 0 0 "[ . 1 . 2]" 1
35 1 7 LYS HA 1 7 LYS HB2 3.000 . 3.000 2.969 2.844 3.013 0.013 2 0 "[ . 1 . 2]" 1
36 1 7 LYS HA 1 7 LYS HB3 3.000 . 3.000 2.518 2.312 2.695 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS HA 1 8 TYR H 3.300 . 3.300 3.221 2.586 3.480 0.180 16 0 "[ . 1 . 2]" 1
38 1 7 LYS QB 1 7 LYS QE 3.800 . 3.800 2.533 2.140 3.001 . 0 0 "[ . 1 . 2]" 1
39 1 7 LYS QB 1 8 TYR CG 8.900 . 8.900 4.098 3.537 4.858 . 0 0 "[ . 1 . 2]" 1
40 1 7 LYS QB 1 8 TYR CZ 7.200 . 7.200 5.180 4.055 6.435 . 0 0 "[ . 1 . 2]" 1
41 1 7 LYS QB 1 8 TYR H 2.600 . 2.600 1.904 1.787 2.157 0.013 19 0 "[ . 1 . 2]" 1
42 1 7 LYS HB2 1 7 LYS QE 4.400 . 4.400 3.094 2.210 3.883 . 0 0 "[ . 1 . 2]" 1
43 1 7 LYS HB2 1 8 TYR H 2.800 . 2.800 2.309 1.928 2.804 0.004 13 0 "[ . 1 . 2]" 1
44 1 7 LYS HB3 1 7 LYS QE 4.400 . 4.400 2.892 2.343 3.652 . 0 0 "[ . 1 . 2]" 1
45 1 7 LYS HB3 1 8 TYR H 2.800 . 2.800 2.082 1.864 2.506 . 0 0 "[ . 1 . 2]" 1
46 1 8 TYR CG 1 13 LEU QD . . 8.000 5.350 3.930 5.951 . 0 0 "[ . 1 . 2]" 1
47 1 8 TYR CZ 1 8 TYR H 7.000 . 7.000 4.658 4.060 5.465 . 0 0 "[ . 1 . 2]" 1
48 1 8 TYR CZ 1 13 LEU QD . . 8.600 5.441 3.861 6.370 . 0 0 "[ . 1 . 2]" 1
49 1 8 TYR H 1 8 TYR HA 2.800 . 2.800 2.782 2.667 2.884 0.084 9 0 "[ . 1 . 2]" 1
50 1 8 TYR H 1 8 TYR HB2 3.500 . 3.500 3.297 2.284 3.564 0.064 17 0 "[ . 1 . 2]" 1
51 1 8 TYR H 1 8 TYR QB 3.300 . 3.300 2.471 2.258 2.736 . 0 0 "[ . 1 . 2]" 1
52 1 8 TYR H 1 8 TYR HB3 3.500 . 3.500 2.775 2.309 3.582 0.082 14 0 "[ . 1 . 2]" 1
53 1 8 TYR H 1 9 ASP H 4.200 . 4.200 4.172 3.843 4.315 0.115 1 0 "[ . 1 . 2]" 1
54 1 8 TYR HA 1 9 ASP H 3.200 . 3.200 2.416 2.101 2.951 . 0 0 "[ . 1 . 2]" 1
55 1 9 ASP H 1 9 ASP HB2 3.400 . 3.400 2.601 2.043 3.540 0.140 9 0 "[ . 1 . 2]" 1
56 1 9 ASP H 1 9 ASP QB 3.100 . 3.100 2.317 2.020 2.817 . 0 0 "[ . 1 . 2]" 1
57 1 9 ASP H 1 9 ASP HB3 3.400 . 3.400 2.912 2.078 3.413 0.013 7 0 "[ . 1 . 2]" 1
58 1 9 ASP HB2 1 61 ASN H 6.800 . 6.800 6.462 5.240 6.811 0.011 3 0 "[ . 1 . 2]" 1
59 1 9 ASP HB3 1 61 ASN H 6.800 . 6.800 6.247 5.103 6.805 0.005 11 0 "[ . 1 . 2]" 1
60 1 10 ASN H 1 10 ASN HA 2.900 . 2.900 2.840 2.675 2.938 0.038 13 0 "[ . 1 . 2]" 1
61 1 10 ASN H 1 10 ASN HB2 3.500 . 3.500 2.830 2.046 3.546 0.046 11 0 "[ . 1 . 2]" 1
62 1 10 ASN H 1 10 ASN QB 3.200 . 3.200 2.545 2.021 2.853 . 0 0 "[ . 1 . 2]" 1
63 1 10 ASN H 1 10 ASN HB3 3.500 . 3.500 3.154 2.488 3.526 0.026 6 0 "[ . 1 . 2]" 1
64 1 10 ASN QB 1 11 ILE H 4.500 . 4.500 2.455 1.865 3.553 . 0 0 "[ . 1 . 2]" 1
65 1 10 ASN QB 1 13 LEU H 6.100 . 6.100 4.616 2.659 5.472 . 0 0 "[ . 1 . 2]" 1
66 1 11 ILE H 1 11 ILE HA 2.900 . 2.900 2.879 2.784 2.936 0.036 20 0 "[ . 1 . 2]" 1
67 1 11 ILE H 1 11 ILE HB 3.300 . 3.300 2.934 2.066 3.360 0.060 9 0 "[ . 1 . 2]" 1
68 1 11 ILE H 1 12 ASN H 6.000 . 6.000 4.209 2.434 4.566 . 0 0 "[ . 1 . 2]" 1
69 1 11 ILE H 1 13 LEU QB 4.400 . 4.400 3.805 3.270 3.936 . 0 0 "[ . 1 . 2]" 1
70 1 11 ILE H 1 13 LEU QD . . 6.300 3.220 1.834 4.375 . 0 0 "[ . 1 . 2]" 1
71 1 11 ILE HA 1 11 ILE HB 2.800 . 2.800 2.681 2.401 2.968 0.168 12 0 "[ . 1 . 2]" 1
72 1 11 ILE HA 1 11 ILE QG 3.300 . 3.300 2.169 2.042 2.340 . 0 0 "[ . 1 . 2]" 1
73 1 11 ILE HA 1 12 ASN H 3.500 . 3.500 2.593 2.130 3.044 . 0 0 "[ . 1 . 2]" 1
74 1 11 ILE HB 1 12 ASN H 5.200 . 5.200 3.763 2.005 4.602 . 0 0 "[ . 1 . 2]" 1
75 1 11 ILE HB 1 13 LEU H 5.600 . 5.600 4.751 3.229 5.440 . 0 0 "[ . 1 . 2]" 1
76 1 11 ILE QG 1 12 ASN H 4.400 . 4.400 2.228 1.662 3.420 0.138 9 0 "[ . 1 . 2]" 1
77 1 11 ILE QG 1 43 LEU H 7.000 . 7.000 5.059 3.656 5.367 . 0 0 "[ . 1 . 2]" 1
78 1 11 ILE QG 1 43 LEU QD 6.600 . 6.600 3.129 1.731 3.753 0.069 10 0 "[ . 1 . 2]" 1
79 1 11 ILE O 1 13 LEU H 2.500 . 2.500 2.062 1.752 2.571 0.071 6 0 "[ . 1 . 2]" 1
80 1 11 ILE O 1 13 LEU N 3.500 . 3.500 2.699 2.578 3.181 . 0 0 "[ . 1 . 2]" 1
81 1 12 ASN H 1 12 ASN HB2 3.800 . 3.800 2.521 2.170 3.648 . 0 0 "[ . 1 . 2]" 1
82 1 12 ASN H 1 12 ASN QB 3.300 . 3.300 2.381 2.136 2.796 . 0 0 "[ . 1 . 2]" 1
83 1 12 ASN H 1 12 ASN HB3 3.800 . 3.800 3.391 2.688 3.745 . 0 0 "[ . 1 . 2]" 1
84 1 12 ASN HA 1 13 LEU H 2.900 . 2.900 2.689 2.454 2.963 0.063 8 0 "[ . 1 . 2]" 1
85 1 12 ASN HA 1 14 ASP H 6.000 . 6.000 3.568 3.108 3.951 . 0 0 "[ . 1 . 2]" 1
86 1 12 ASN HA 1 15 GLU H 6.000 . 6.000 4.586 3.959 5.177 . 0 0 "[ . 1 . 2]" 1
87 1 12 ASN QB 1 13 LEU H 4.400 . 4.400 3.881 3.748 4.003 . 0 0 "[ . 1 . 2]" 1
88 1 12 ASN HB2 1 13 LEU H 5.100 . 5.100 4.476 4.148 4.628 . 0 0 "[ . 1 . 2]" 1
89 1 12 ASN HB3 1 13 LEU H 5.100 . 5.100 4.270 4.040 4.612 . 0 0 "[ . 1 . 2]" 1
90 1 12 ASN QD 1 13 LEU H 6.900 . 6.900 5.282 3.838 5.860 . 0 0 "[ . 1 . 2]" 1
91 1 12 ASN QD 1 15 GLU QB 7.100 . 7.100 3.664 1.970 5.119 . 0 0 "[ . 1 . 2]" 1
92 1 12 ASN O 1 14 ASP H 2.000 . 2.000 1.963 1.708 2.148 0.148 1 0 "[ . 1 . 2]" 1
93 1 12 ASN O 1 14 ASP N 3.000 . 3.000 2.758 2.281 2.878 . 0 0 "[ . 1 . 2]" 1
94 1 13 LEU H 1 13 LEU QB 3.400 . 3.400 2.139 2.029 2.434 . 0 0 "[ . 1 . 2]" 1
95 1 13 LEU H 1 13 LEU HG 4.100 . 4.100 3.533 2.351 4.177 0.077 2 0 "[ . 1 . 2]" 1
96 1 13 LEU H 1 14 ASP H 3.600 . 3.600 3.300 2.987 3.567 . 0 0 "[ . 1 . 2]" 1
97 1 13 LEU HA 1 13 LEU QD 3.900 . 3.900 2.560 2.285 2.882 . 0 0 "[ . 1 . 2]" 1
98 1 13 LEU HA 1 13 LEU HG 2.800 . 2.800 2.394 2.100 2.811 0.011 17 0 "[ . 1 . 2]" 1
99 1 13 LEU HA 1 15 GLU H 6.000 . 6.000 4.356 3.960 4.747 . 0 0 "[ . 1 . 2]" 1
100 1 13 LEU HA 1 16 ILE H 3.400 . 3.400 3.504 3.440 3.558 0.158 2 0 "[ . 1 . 2]" 1
101 1 13 LEU HA 1 16 ILE QG 5.900 . 5.900 3.521 2.316 4.329 . 0 0 "[ . 1 . 2]" 1
102 1 13 LEU HA 1 17 LEU H 5.900 . 5.900 4.690 4.236 5.497 . 0 0 "[ . 1 . 2]" 1
103 1 13 LEU HA 1 17 LEU QD 8.900 . 8.900 4.855 3.462 6.063 . 0 0 "[ . 1 . 2]" 1
104 1 13 LEU QB 1 14 ASP H 5.400 . 5.400 3.780 2.967 3.939 . 0 0 "[ . 1 . 2]" 1
105 1 13 LEU QB 1 16 ILE H 6.200 . 6.200 5.169 4.661 5.477 . 0 0 "[ . 1 . 2]" 1
106 1 13 LEU QD 1 14 ASP H 7.000 . 7.000 4.344 4.029 4.584 . 0 0 "[ . 1 . 2]" 1
107 1 13 LEU QD 1 16 ILE HA 8.600 . 8.600 5.858 4.966 6.369 . 0 0 "[ . 1 . 2]" 1
108 1 13 LEU QD 1 16 ILE MD 7.100 . 7.100 3.011 1.682 3.883 0.118 13 0 "[ . 1 . 2]" 1
109 1 13 LEU QD 1 65 GLY QA 5.000 . 5.000 2.652 1.796 2.869 0.004 2 0 "[ . 1 . 2]" 1
110 1 13 LEU HG 1 14 ASP H 4.800 . 4.800 4.801 4.536 4.862 0.062 4 0 "[ . 1 . 2]" 1
111 1 13 LEU HG 1 65 GLY QA 6.000 . 6.000 5.236 4.107 5.362 . 0 0 "[ . 1 . 2]" 1
112 1 14 ASP H 1 14 ASP HA 2.900 . 2.900 2.911 2.784 2.940 0.040 16 0 "[ . 1 . 2]" 1
113 1 14 ASP H 1 14 ASP HB2 3.200 . 3.200 2.881 2.541 3.464 0.264 12 0 "[ . 1 . 2]" 1
114 1 14 ASP H 1 14 ASP QB 2.900 . 2.900 2.558 2.365 2.629 . 0 0 "[ . 1 . 2]" 1
115 1 14 ASP H 1 14 ASP HB3 3.200 . 3.200 2.949 2.706 3.205 0.005 2 0 "[ . 1 . 2]" 1
116 1 14 ASP H 1 15 GLU H 2.900 . 2.900 2.101 1.942 2.737 . 0 0 "[ . 1 . 2]" 1
117 1 14 ASP H 1 16 ILE H 4.300 . 4.300 2.983 2.505 4.023 . 0 0 "[ . 1 . 2]" 1
118 1 14 ASP HA 1 16 ILE H 6.500 . 6.500 4.047 3.967 4.144 . 0 0 "[ . 1 . 2]" 1
119 1 14 ASP HA 1 17 LEU H 4.200 . 4.200 3.394 3.164 3.731 . 0 0 "[ . 1 . 2]" 1
120 1 14 ASP HA 1 17 LEU QD . . 6.400 3.708 2.678 4.167 . 0 0 "[ . 1 . 2]" 1
121 1 14 ASP QB 1 15 GLU H 3.300 . 3.300 2.407 2.062 2.958 . 0 0 "[ . 1 . 2]" 1
122 1 14 ASP HB2 1 15 GLU H 3.700 . 3.700 3.360 3.090 3.699 . 0 0 "[ . 1 . 2]" 1
123 1 14 ASP HB3 1 15 GLU H 3.700 . 3.700 2.534 2.075 3.774 0.074 12 0 "[ . 1 . 2]" 1
124 1 14 ASP O 1 17 LEU H 2.000 . 2.000 2.034 2.017 2.061 0.061 2 0 "[ . 1 . 2]" 1
125 1 14 ASP O 1 17 LEU N 3.000 . 3.000 2.899 2.699 2.965 . 0 0 "[ . 1 . 2]" 1
126 1 15 GLU H 1 15 GLU QB 3.400 . 3.400 2.334 2.000 2.645 . 0 0 "[ . 1 . 2]" 1
127 1 15 GLU H 1 15 GLU HG2 4.200 . 4.200 3.002 1.937 4.202 0.002 1 0 "[ . 1 . 2]" 1
128 1 15 GLU H 1 15 GLU HG3 4.200 . 4.200 3.211 1.984 4.300 0.100 15 0 "[ . 1 . 2]" 1
129 1 15 GLU H 1 16 ILE H 2.900 . 2.900 2.649 2.584 2.882 . 0 0 "[ . 1 . 2]" 1
130 1 15 GLU HA 1 16 ILE MD 7.500 . 7.500 5.937 4.729 6.267 . 0 0 "[ . 1 . 2]" 1
131 1 15 GLU HA 1 16 ILE QG . . 6.800 4.526 4.325 4.777 . 0 0 "[ . 1 . 2]" 1
132 1 15 GLU HA 1 17 LEU H 7.000 . 7.000 3.878 3.657 4.259 . 0 0 "[ . 1 . 2]" 1
133 1 15 GLU HA 1 18 ALA H 5.300 . 5.300 3.679 3.169 4.572 . 0 0 "[ . 1 . 2]" 1
134 1 16 ILE H 1 16 ILE HB 3.600 . 3.600 2.758 2.611 3.684 0.084 13 0 "[ . 1 . 2]" 1
135 1 16 ILE H 1 17 LEU H 2.900 . 2.900 2.424 2.280 2.727 . 0 0 "[ . 1 . 2]" 1
136 1 16 ILE H 1 17 LEU QD 9.100 . 9.100 5.167 4.606 5.573 . 0 0 "[ . 1 . 2]" 1
137 1 16 ILE HA 1 19 ASN H 5.200 . 5.200 4.783 4.336 5.213 0.013 10 0 "[ . 1 . 2]" 1
138 1 16 ILE HB 1 16 ILE MD 3.400 . 3.400 2.242 2.074 2.430 . 0 0 "[ . 1 . 2]" 1
139 1 16 ILE MD 1 26 TYR CG 8.900 . 8.900 4.632 3.087 5.838 . 0 0 "[ . 1 . 2]" 1
140 1 16 ILE MD 1 26 TYR CZ 8.900 . 8.900 4.820 3.340 6.539 . 0 0 "[ . 1 . 2]" 1
141 1 16 ILE MD 1 26 TYR HB2 7.000 . 7.000 4.722 3.569 5.790 . 0 0 "[ . 1 . 2]" 1
142 1 16 ILE MD 1 26 TYR QB 6.500 . 6.500 4.281 3.213 4.817 . 0 0 "[ . 1 . 2]" 1
143 1 16 ILE MD 1 26 TYR HB3 7.000 . 7.000 4.955 3.642 5.733 . 0 0 "[ . 1 . 2]" 1
144 1 16 ILE MD 1 69 VAL QG 10.100 . 10.100 3.904 1.926 4.707 . 0 0 "[ . 1 . 2]" 1
145 1 16 ILE QG 1 17 LEU H 5.900 . 5.900 3.603 3.094 3.775 . 0 0 "[ . 1 . 2]" 1
146 1 16 ILE QG 1 19 ASN H 7.000 . 7.000 5.290 5.124 5.376 . 0 0 "[ . 1 . 2]" 1
147 1 16 ILE QG 1 22 LEU H 7.000 . 7.000 5.366 5.346 5.386 . 0 0 "[ . 1 . 2]" 1
148 1 16 ILE QG 1 26 TYR CG 7.100 . 7.100 3.663 3.093 4.187 . 0 0 "[ . 1 . 2]" 1
149 1 16 ILE QG 1 26 TYR CZ . . 7.700 4.755 4.056 5.443 . 0 0 "[ . 1 . 2]" 1
150 1 16 ILE QG 1 26 TYR HB2 4.900 . 4.900 3.076 2.490 3.496 . 0 0 "[ . 1 . 2]" 1
151 1 16 ILE QG 1 26 TYR QB 4.600 . 4.600 2.781 2.165 3.089 . 0 0 "[ . 1 . 2]" 1
152 1 16 ILE QG 1 26 TYR HB3 4.900 . 4.900 3.217 2.306 3.681 . 0 0 "[ . 1 . 2]" 1
153 1 16 ILE QG 1 69 VAL QG 10.400 . 10.400 3.360 2.466 4.037 . 0 0 "[ . 1 . 2]" 1
154 1 17 LEU H 1 17 LEU HG 4.200 . 4.200 4.035 3.232 4.254 0.054 15 0 "[ . 1 . 2]" 1
155 1 17 LEU H 1 18 ALA H 3.000 . 3.000 2.107 1.884 2.728 . 0 0 "[ . 1 . 2]" 1
156 1 17 LEU H 1 69 VAL QG 8.600 . 8.600 4.643 3.644 5.890 . 0 0 "[ . 1 . 2]" 1
157 1 17 LEU HA 1 17 LEU HG 3.900 . 3.900 3.240 2.720 3.472 . 0 0 "[ . 1 . 2]" 1
158 1 17 LEU HA 1 23 LEU QD 8.600 . 8.600 3.011 1.811 5.406 . 0 0 "[ . 1 . 2]" 1
159 1 17 LEU HA 1 69 VAL QG 8.000 . 8.000 3.967 2.826 4.880 . 0 0 "[ . 1 . 2]" 1
160 1 17 LEU HA 1 72 HIS HE1 7.900 . 7.900 6.131 3.866 7.040 . 0 0 "[ . 1 . 2]" 1
161 1 17 LEU QB 1 72 HIS HD1 5.800 . 5.800 5.133 4.747 5.191 . 0 0 "[ . 1 . 2]" 1
162 1 17 LEU QB 1 72 HIS HD2 6.300 . 6.300 5.625 5.616 5.637 . 0 0 "[ . 1 . 2]" 1
163 1 17 LEU QD 1 23 LEU QD 9.900 . 9.900 2.983 1.665 5.330 0.135 19 0 "[ . 1 . 2]" 1
164 1 17 LEU QD 1 69 VAL HA . . 4.300 2.572 2.064 3.028 . 0 0 "[ . 1 . 2]" 1
165 1 17 LEU QD 1 69 VAL QG . . 4.400 2.214 1.614 2.422 0.186 6 0 "[ . 1 . 2]" 1
166 1 17 LEU QD 1 72 HIS H . . 5.800 4.118 3.679 4.295 . 0 0 "[ . 1 . 2]" 1
167 1 17 LEU QD 1 72 HIS HA 8.600 . 8.600 4.286 3.838 4.703 . 0 0 "[ . 1 . 2]" 1
168 1 17 LEU QD 1 72 HIS HB2 5.400 . 5.400 2.836 2.365 3.401 . 0 0 "[ . 1 . 2]" 1
169 1 17 LEU QD 1 72 HIS QB 4.200 . 4.200 2.201 1.780 2.409 0.020 7 0 "[ . 1 . 2]" 1
170 1 17 LEU QD 1 72 HIS HB3 5.400 . 5.400 2.311 1.841 2.643 . 0 0 "[ . 1 . 2]" 1
171 1 17 LEU QD 1 72 HIS HD2 . . 5.100 3.072 2.563 3.784 . 0 0 "[ . 1 . 2]" 1
172 1 17 LEU QD 1 72 HIS HE1 . . 6.400 3.084 2.510 4.198 . 0 0 "[ . 1 . 2]" 1
173 1 17 LEU HG 1 18 ALA H 5.100 . 5.100 4.533 4.048 5.127 0.027 6 0 "[ . 1 . 2]" 1
174 1 17 LEU HG 1 69 VAL QG 6.000 . 6.000 3.828 2.088 4.462 . 0 0 "[ . 1 . 2]" 1
175 1 18 ALA H 1 18 ALA HA 2.800 . 2.800 2.831 2.733 2.918 0.118 13 0 "[ . 1 . 2]" 1
176 1 18 ALA H 1 18 ALA MB 3.400 . 3.400 2.215 2.030 2.578 . 0 0 "[ . 1 . 2]" 1
177 1 18 ALA H 1 19 ASN H 3.900 . 3.900 2.628 1.930 3.025 . 0 0 "[ . 1 . 2]" 1
178 1 18 ALA MB 1 19 ASN H 4.000 . 4.000 2.509 2.076 2.815 . 0 0 "[ . 1 . 2]" 1
179 1 18 ALA MB 1 19 ASN HD21 7.000 . 7.000 3.315 1.961 4.375 . 0 0 "[ . 1 . 2]" 1
180 1 18 ALA MB 1 19 ASN QD 6.600 . 6.600 2.721 1.947 3.656 . 0 0 "[ . 1 . 2]" 1
181 1 18 ALA MB 1 19 ASN HD22 7.000 . 7.000 3.003 2.270 3.921 . 0 0 "[ . 1 . 2]" 1
182 1 19 ASN H 1 19 ASN HB2 3.800 . 3.800 3.827 3.774 3.919 0.119 10 0 "[ . 1 . 2]" 1
183 1 19 ASN H 1 19 ASN HB3 3.800 . 3.800 3.692 3.134 3.813 0.013 16 0 "[ . 1 . 2]" 1
184 1 19 ASN H 1 22 LEU QD 9.200 . 9.200 3.409 2.200 4.660 . 0 0 "[ . 1 . 2]" 1
185 1 19 ASN HA 1 21 ARG H 6.000 . 6.000 4.106 3.578 4.471 . 0 0 "[ . 1 . 2]" 1
186 1 19 ASN QB 1 20 LYS QD 4.600 . 4.600 2.564 1.877 2.972 . 0 0 "[ . 1 . 2]" 1
187 1 19 ASN QB 1 21 ARG HA 6.900 . 6.900 4.881 4.545 5.644 . 0 0 "[ . 1 . 2]" 1
188 1 19 ASN QB 1 23 LEU QD 7.500 . 7.500 4.637 3.847 5.003 . 0 0 "[ . 1 . 2]" 1
189 1 19 ASN HB2 1 20 LYS QD 4.800 . 4.800 2.622 1.886 3.087 . 0 0 "[ . 1 . 2]" 1
190 1 19 ASN HB2 1 21 ARG H 6.000 . 6.000 2.450 2.183 3.242 . 0 0 "[ . 1 . 2]" 1
191 1 19 ASN HB3 1 20 LYS QD 4.800 . 4.800 3.740 3.426 4.209 . 0 0 "[ . 1 . 2]" 1
192 1 19 ASN HB3 1 21 ARG H 6.000 . 6.000 4.103 3.908 4.522 . 0 0 "[ . 1 . 2]" 1
193 1 19 ASN QD 1 20 LYS QD 6.300 . 6.300 4.410 3.717 4.836 . 0 0 "[ . 1 . 2]" 1
194 1 19 ASN QD 1 22 LEU HA 7.300 . 7.300 4.188 3.621 4.498 . 0 0 "[ . 1 . 2]" 1
195 1 19 ASN QD 1 22 LEU QD 8.500 . 8.500 2.053 1.716 2.877 0.084 9 0 "[ . 1 . 2]" 1
196 1 19 ASN QD 1 25 ALA MB 7.700 . 7.700 5.427 4.931 5.628 . 0 0 "[ . 1 . 2]" 1
197 1 19 ASN HD21 1 20 LYS QD 6.700 . 6.700 4.624 3.883 5.427 . 0 0 "[ . 1 . 2]" 1
198 1 19 ASN HD21 1 22 LEU QD 10.100 . 10.100 2.747 1.859 3.478 . 0 0 "[ . 1 . 2]" 1
199 1 19 ASN HD21 1 25 ALA MB 7.900 . 7.900 5.966 5.352 6.537 . 0 0 "[ . 1 . 2]" 1
200 1 19 ASN HD22 1 20 LYS QD 6.700 . 6.700 5.673 4.436 5.972 . 0 0 "[ . 1 . 2]" 1
201 1 19 ASN HD22 1 22 LEU QD 10.100 . 10.100 2.149 1.789 3.069 0.011 7 0 "[ . 1 . 2]" 1
202 1 19 ASN HD22 1 25 ALA MB 7.900 . 7.900 6.292 5.553 6.586 . 0 0 "[ . 1 . 2]" 1
203 1 19 ASN O 1 22 LEU H 2.000 . 2.000 2.032 2.001 2.069 0.069 13 0 "[ . 1 . 2]" 1
204 1 19 ASN O 1 22 LEU N 3.000 . 3.000 2.883 2.833 2.915 . 0 0 "[ . 1 . 2]" 1
205 1 19 ASN O 1 23 LEU H 2.000 . 2.000 2.044 1.974 2.103 0.103 2 0 "[ . 1 . 2]" 1
206 1 19 ASN O 1 23 LEU N 3.000 . 3.000 2.993 2.932 3.049 0.049 18 0 "[ . 1 . 2]" 1
207 1 20 LYS H 1 20 LYS HB2 3.700 . 3.700 3.326 2.994 3.568 . 0 0 "[ . 1 . 2]" 1
208 1 20 LYS H 1 20 LYS HB3 3.700 . 3.700 2.918 2.196 3.467 . 0 0 "[ . 1 . 2]" 1
209 1 20 LYS H 1 20 LYS HE2 6.000 . 6.000 3.928 3.209 4.443 . 0 0 "[ . 1 . 2]" 1
210 1 20 LYS H 1 20 LYS HE3 6.000 . 6.000 3.621 1.981 4.806 . 0 0 "[ . 1 . 2]" 1
211 1 20 LYS H 1 20 LYS HG2 4.500 . 4.500 3.409 3.270 3.707 . 0 0 "[ . 1 . 2]" 1
212 1 20 LYS H 1 20 LYS QG 4.100 . 4.100 2.368 1.806 3.382 . 0 0 "[ . 1 . 2]" 1
213 1 20 LYS H 1 20 LYS HG3 4.500 . 4.500 2.572 1.815 3.934 . 0 0 "[ . 1 . 2]" 1
214 1 20 LYS H 1 21 ARG H 2.800 . 2.800 2.756 2.681 2.813 0.013 13 0 "[ . 1 . 2]" 1
215 1 20 LYS HA 1 20 LYS HE2 6.000 . 6.000 5.180 3.938 5.865 . 0 0 "[ . 1 . 2]" 1
216 1 20 LYS HA 1 20 LYS QE 5.600 . 5.600 4.570 3.773 5.018 . 0 0 "[ . 1 . 2]" 1
217 1 20 LYS HA 1 20 LYS HE3 6.000 . 6.000 5.300 3.894 5.999 . 0 0 "[ . 1 . 2]" 1
218 1 20 LYS HA 1 24 VAL H 4.200 . 4.200 2.906 2.583 3.133 . 0 0 "[ . 1 . 2]" 1
219 1 20 LYS HA 1 24 VAL HB 4.100 . 4.100 4.135 3.905 4.190 0.090 19 0 "[ . 1 . 2]" 1
220 1 20 LYS HA 1 24 VAL QG 5.900 . 5.900 2.445 1.962 2.861 . 0 0 "[ . 1 . 2]" 1
221 1 20 LYS QB 1 20 LYS HE2 4.800 . 4.800 3.129 2.021 4.278 . 0 0 "[ . 1 . 2]" 1
222 1 20 LYS QB 1 20 LYS HE3 4.800 . 4.800 3.397 1.890 4.246 . 0 0 "[ . 1 . 2]" 1
223 1 20 LYS QB 1 21 ARG H 4.600 . 4.600 3.229 2.588 3.652 . 0 0 "[ . 1 . 2]" 1
224 1 20 LYS QB 1 24 VAL QG 6.100 . 6.100 1.975 1.764 2.234 0.036 13 0 "[ . 1 . 2]" 1
225 1 20 LYS QD 1 21 ARG H 6.200 . 6.200 2.122 1.731 2.719 0.069 6 0 "[ . 1 . 2]" 1
226 1 20 LYS QD 1 21 ARG HA 5.600 . 5.600 4.078 3.267 4.631 . 0 0 "[ . 1 . 2]" 1
227 1 20 LYS QD 1 22 LEU H 5.800 . 5.800 4.590 4.229 5.167 . 0 0 "[ . 1 . 2]" 1
228 1 20 LYS QD 1 25 ALA H 7.800 . 7.800 6.770 5.987 6.970 . 0 0 "[ . 1 . 2]" 1
229 1 20 LYS QE 1 20 LYS QG 3.400 . 3.400 2.199 2.095 2.367 . 0 0 "[ . 1 . 2]" 1
230 1 20 LYS HE2 1 20 LYS HG2 3.700 . 3.700 2.819 2.251 3.698 . 0 0 "[ . 1 . 2]" 1
231 1 20 LYS HE2 1 20 LYS HG3 3.700 . 3.700 3.175 2.361 3.709 0.009 18 0 "[ . 1 . 2]" 1
232 1 20 LYS HE3 1 20 LYS HG2 3.700 . 3.700 2.946 2.324 3.729 0.029 10 0 "[ . 1 . 2]" 1
233 1 20 LYS HE3 1 20 LYS HG3 3.700 . 3.700 3.117 2.536 3.710 0.010 13 0 "[ . 1 . 2]" 1
234 1 20 LYS QG 1 21 ARG H 6.400 . 6.400 3.428 2.306 4.013 . 0 0 "[ . 1 . 2]" 1
235 1 20 LYS QG 1 24 VAL QG 8.000 . 8.000 3.274 2.584 3.753 . 0 0 "[ . 1 . 2]" 1
236 1 20 LYS QG 1 77 GLU QG 6.200 . 6.200 4.877 4.387 4.940 . 0 0 "[ . 1 . 2]" 1
237 1 20 LYS O 1 24 VAL H 2.000 . 2.000 1.752 1.725 1.788 0.075 15 0 "[ . 1 . 2]" 1
238 1 20 LYS O 1 24 VAL N 3.000 . 3.000 2.615 2.564 2.652 . 0 0 "[ . 1 . 2]" 1
239 1 21 ARG H 1 21 ARG HA 2.900 . 2.900 2.750 2.692 2.797 . 0 0 "[ . 1 . 2]" 1
240 1 21 ARG H 1 21 ARG HB2 3.600 . 3.600 3.315 2.273 3.602 0.002 12 0 "[ . 1 . 2]" 1
241 1 21 ARG H 1 21 ARG HB3 3.600 . 3.600 2.804 2.117 3.596 . 0 0 "[ . 1 . 2]" 1
242 1 21 ARG H 1 21 ARG HG2 3.900 . 3.900 2.668 1.913 3.836 . 0 0 "[ . 1 . 2]" 1
243 1 21 ARG H 1 21 ARG QG 3.500 . 3.500 2.177 1.903 3.101 . 0 0 "[ . 1 . 2]" 1
244 1 21 ARG H 1 21 ARG HG3 3.900 . 3.900 2.805 1.981 3.637 . 0 0 "[ . 1 . 2]" 1
245 1 21 ARG H 1 22 LEU H 2.800 . 2.800 2.758 2.658 2.839 0.039 2 0 "[ . 1 . 2]" 1
246 1 21 ARG H 1 23 LEU QD 7.500 . 7.500 4.573 4.244 5.391 . 0 0 "[ . 1 . 2]" 1
247 1 21 ARG HA 1 22 LEU H 3.600 . 3.600 3.470 3.410 3.539 . 0 0 "[ . 1 . 2]" 1
248 1 21 ARG HA 1 23 LEU QD 8.900 . 8.900 5.506 4.701 6.572 . 0 0 "[ . 1 . 2]" 1
249 1 21 ARG HA 1 25 ALA H 4.800 . 4.800 3.992 3.658 4.297 . 0 0 "[ . 1 . 2]" 1
250 1 21 ARG QG 1 22 LEU H 5.300 . 5.300 2.640 1.945 4.282 . 0 0 "[ . 1 . 2]" 1
251 1 21 ARG QG 1 24 VAL H 6.500 . 6.500 5.319 5.010 5.804 . 0 0 "[ . 1 . 2]" 1
252 1 21 ARG QG 1 24 VAL HA 8.800 . 8.800 7.610 7.498 7.842 . 0 0 "[ . 1 . 2]" 1
253 1 21 ARG QG 1 24 VAL QG 9.600 . 9.600 5.041 4.539 5.356 . 0 0 "[ . 1 . 2]" 1
254 1 21 ARG O 1 25 ALA H 2.500 . 2.500 2.549 2.531 2.569 0.069 6 0 "[ . 1 . 2]" 1
255 1 21 ARG O 1 25 ALA N 3.500 . 3.500 3.346 3.279 3.414 . 0 0 "[ . 1 . 2]" 1
256 1 22 LEU H 1 22 LEU HB2 3.700 . 3.700 2.325 2.170 3.000 . 0 0 "[ . 1 . 2]" 1
257 1 22 LEU H 1 22 LEU QB 3.200 . 3.200 2.229 2.148 2.375 . 0 0 "[ . 1 . 2]" 1
258 1 22 LEU H 1 22 LEU HB3 3.700 . 3.700 3.371 2.344 3.624 . 0 0 "[ . 1 . 2]" 1
259 1 22 LEU H 1 22 LEU QD . . 4.600 3.166 2.623 3.444 . 0 0 "[ . 1 . 2]" 1
260 1 22 LEU H 1 23 LEU H 6.000 . 6.000 2.373 2.193 2.597 . 0 0 "[ . 1 . 2]" 1
261 1 22 LEU H 1 24 VAL QG 6.500 . 6.500 4.562 4.215 4.822 . 0 0 "[ . 1 . 2]" 1
262 1 22 LEU HA 1 22 LEU HG 3.000 . 3.000 2.433 2.117 2.952 . 0 0 "[ . 1 . 2]" 1
263 1 22 LEU HA 1 24 VAL H 4.200 . 4.200 4.253 4.177 4.294 0.094 8 0 "[ . 1 . 2]" 1
264 1 22 LEU HA 1 25 ALA H 3.300 . 3.300 3.213 3.020 3.328 0.028 12 0 "[ . 1 . 2]" 1
265 1 22 LEU HA 1 26 TYR H 4.300 . 4.300 3.738 3.368 4.000 . 0 0 "[ . 1 . 2]" 1
266 1 22 LEU O 1 26 TYR H 2.000 . 2.000 1.886 1.746 2.032 0.054 16 0 "[ . 1 . 2]" 1
267 1 22 LEU O 1 26 TYR N 3.000 . 3.000 2.832 2.634 2.955 . 0 0 "[ . 1 . 2]" 1
268 1 23 LEU H 1 23 LEU QB 3.800 . 3.800 2.269 2.024 2.742 . 0 0 "[ . 1 . 2]" 1
269 1 23 LEU QD 1 25 ALA H 8.600 . 8.600 4.709 4.000 5.596 . 0 0 "[ . 1 . 2]" 1
270 1 23 LEU O 1 27 VAL H 2.000 . 2.000 2.069 2.023 2.099 0.099 5 0 "[ . 1 . 2]" 1
271 1 23 LEU O 1 27 VAL N 3.000 . 3.000 2.942 2.704 3.032 0.032 6 0 "[ . 1 . 2]" 1
272 1 24 VAL H 1 24 VAL HA 2.800 . 2.800 2.847 2.833 2.860 0.060 5 0 "[ . 1 . 2]" 1
273 1 24 VAL H 1 24 VAL HB 3.300 . 3.300 2.462 2.310 2.581 . 0 0 "[ . 1 . 2]" 1
274 1 24 VAL H 1 24 VAL QG . . 3.800 2.285 2.084 2.556 . 0 0 "[ . 1 . 2]" 1
275 1 24 VAL H 1 25 ALA H 2.800 . 2.800 2.550 2.475 2.590 . 0 0 "[ . 1 . 2]" 1
276 1 24 VAL HA 1 27 VAL H 3.500 . 3.500 3.341 3.097 3.516 0.016 14 0 "[ . 1 . 2]" 1
277 1 24 VAL HA 1 27 VAL HB 3.500 . 3.500 2.201 1.927 2.644 . 0 0 "[ . 1 . 2]" 1
278 1 24 VAL HA 1 27 VAL QG . . 4.600 2.683 1.973 3.166 . 0 0 "[ . 1 . 2]" 1
279 1 24 VAL HA 1 28 ASN H 4.900 . 4.900 3.710 3.476 4.242 . 0 0 "[ . 1 . 2]" 1
280 1 24 VAL HB 1 25 ALA H 3.300 . 3.300 2.596 2.463 2.858 . 0 0 "[ . 1 . 2]" 1
281 1 24 VAL QG 1 25 ALA H . . 4.200 3.135 3.115 3.153 . 0 0 "[ . 1 . 2]" 1
282 1 24 VAL QG 1 28 ASN H 6.600 . 6.600 3.525 3.173 3.834 . 0 0 "[ . 1 . 2]" 1
283 1 24 VAL QG 1 28 ASN HD21 8.800 . 8.800 3.355 2.429 4.242 . 0 0 "[ . 1 . 2]" 1
284 1 24 VAL QG 1 28 ASN QD 7.100 . 7.100 2.863 1.988 3.457 . 0 0 "[ . 1 . 2]" 1
285 1 24 VAL QG 1 28 ASN HD22 8.800 . 8.800 3.206 2.110 4.743 . 0 0 "[ . 1 . 2]" 1
286 1 25 ALA H 1 25 ALA HA 2.800 . 2.800 2.762 2.693 2.800 . 0 0 "[ . 1 . 2]" 1
287 1 25 ALA H 1 25 ALA MB 3.400 . 3.400 2.139 2.070 2.235 . 0 0 "[ . 1 . 2]" 1
288 1 25 ALA H 1 26 TYR H 2.900 . 2.900 2.826 2.724 2.910 0.010 7 0 "[ . 1 . 2]" 1
289 1 25 ALA HA 1 26 TYR H 3.500 . 3.500 3.544 3.523 3.563 0.063 14 0 "[ . 1 . 2]" 1
290 1 25 ALA HA 1 28 ASN H 3.400 . 3.400 3.477 3.428 3.513 0.113 5 0 "[ . 1 . 2]" 1
291 1 25 ALA HA 1 28 ASN QD 5.000 . 5.000 3.759 1.858 4.455 . 0 0 "[ . 1 . 2]" 1
292 1 25 ALA HA 1 29 CYS H 5.100 . 5.100 4.036 3.592 4.318 . 0 0 "[ . 1 . 2]" 1
293 1 25 ALA MB 1 26 TYR CG 7.400 . 7.400 5.321 4.939 5.567 . 0 0 "[ . 1 . 2]" 1
294 1 25 ALA MB 1 26 TYR CZ 9.800 . 9.800 7.312 6.499 7.778 . 0 0 "[ . 1 . 2]" 1
295 1 25 ALA MB 1 26 TYR H 3.900 . 3.900 2.491 2.253 2.623 . 0 0 "[ . 1 . 2]" 1
296 1 25 ALA O 1 29 CYS H 2.000 . 2.000 1.928 1.789 2.042 0.042 17 0 "[ . 1 . 2]" 1
297 1 25 ALA O 1 29 CYS N 3.000 . 3.000 2.765 2.547 2.981 . 0 0 "[ . 1 . 2]" 1
298 1 26 TYR CG 1 30 VAL QG . . 8.700 4.062 3.398 5.296 . 0 0 "[ . 1 . 2]" 1
299 1 26 TYR CG 1 37 SER HA 7.500 . 7.500 6.670 3.879 7.554 0.054 16 0 "[ . 1 . 2]" 1
300 1 26 TYR CG 1 40 GLY HA2 5.300 . 5.300 5.339 5.275 5.409 0.109 12 0 "[ . 1 . 2]" 1
301 1 26 TYR CG 1 40 GLY HA3 5.300 . 5.300 4.961 4.341 5.372 0.072 7 0 "[ . 1 . 2]" 1
302 1 26 TYR CZ 1 30 VAL QG . . 7.200 4.403 3.372 5.353 . 0 0 "[ . 1 . 2]" 1
303 1 26 TYR CZ 1 40 GLY HA2 5.000 . 5.000 3.483 2.941 5.003 0.003 1 0 "[ . 1 . 2]" 1
304 1 26 TYR CZ 1 40 GLY HA3 5.000 . 5.000 3.083 2.418 4.372 . 0 0 "[ . 1 . 2]" 1
305 1 26 TYR H 1 26 TYR HB2 3.300 . 3.300 2.303 2.076 2.534 . 0 0 "[ . 1 . 2]" 1
306 1 26 TYR H 1 26 TYR QB 2.800 . 2.800 2.187 2.048 2.287 . 0 0 "[ . 1 . 2]" 1
307 1 26 TYR H 1 26 TYR HB3 3.300 . 3.300 2.848 2.583 3.202 . 0 0 "[ . 1 . 2]" 1
308 1 26 TYR H 1 27 VAL H 2.800 . 2.800 2.630 2.509 2.793 . 0 0 "[ . 1 . 2]" 1
309 1 26 TYR H 1 27 VAL QG 8.600 . 8.600 4.224 4.025 4.658 . 0 0 "[ . 1 . 2]" 1
310 1 26 TYR HA 1 29 CYS H 3.400 . 3.400 3.247 3.075 3.580 0.180 17 0 "[ . 1 . 2]" 1
311 1 26 TYR HA 1 29 CYS QB 4.500 . 4.500 2.273 1.893 3.408 . 0 0 "[ . 1 . 2]" 1
312 1 26 TYR QB 1 27 VAL H 3.300 . 3.300 2.445 2.198 2.803 . 0 0 "[ . 1 . 2]" 1
313 1 26 TYR HB2 1 27 VAL H 3.600 . 3.600 3.498 3.124 3.635 0.035 11 0 "[ . 1 . 2]" 1
314 1 26 TYR HB3 1 27 VAL H 3.600 . 3.600 2.515 2.218 3.015 . 0 0 "[ . 1 . 2]" 1
315 1 26 TYR O 1 30 VAL H 2.000 . 2.000 1.979 1.803 2.098 0.098 6 0 "[ . 1 . 2]" 1
316 1 26 TYR O 1 30 VAL N 3.000 . 3.000 2.778 2.574 3.009 0.009 6 0 "[ . 1 . 2]" 1
317 1 27 VAL H 1 27 VAL HA 2.900 . 2.900 2.786 2.746 2.813 . 0 0 "[ . 1 . 2]" 1
318 1 27 VAL H 1 27 VAL HB 2.700 . 2.700 2.456 2.192 2.615 . 0 0 "[ . 1 . 2]" 1
319 1 27 VAL H 1 27 VAL QG 3.900 . 3.900 2.285 1.946 2.796 . 0 0 "[ . 1 . 2]" 1
320 1 27 VAL H 1 28 ASN H 2.800 . 2.800 2.730 2.596 2.810 0.010 10 0 "[ . 1 . 2]" 1
321 1 27 VAL HA 1 27 VAL QG . . 3.100 2.098 1.940 2.155 . 0 0 "[ . 1 . 2]" 1
322 1 27 VAL HA 1 30 VAL H 3.300 . 3.300 3.329 3.260 3.379 0.079 18 0 "[ . 1 . 2]" 1
323 1 27 VAL HA 1 30 VAL HB 3.600 . 3.600 2.994 2.066 3.488 . 0 0 "[ . 1 . 2]" 1
324 1 27 VAL HA 1 30 VAL QG . . 4.100 2.106 1.854 3.009 . 0 0 "[ . 1 . 2]" 1
325 1 27 VAL HA 1 31 MET H 6.000 . 6.000 5.058 4.084 5.325 . 0 0 "[ . 1 . 2]" 1
326 1 27 VAL HB 1 28 ASN H 3.300 . 3.300 2.699 2.515 2.986 . 0 0 "[ . 1 . 2]" 1
327 1 27 VAL QG 1 28 ASN H . . 4.300 3.140 2.433 3.268 . 0 0 "[ . 1 . 2]" 1
328 1 27 VAL QG 1 28 ASN HA 6.400 . 6.400 3.314 2.882 3.643 . 0 0 "[ . 1 . 2]" 1
329 1 27 VAL QG 1 30 VAL HB 5.900 . 5.900 3.463 2.908 3.768 . 0 0 "[ . 1 . 2]" 1
330 1 27 VAL QG 1 30 VAL QG 7.000 . 7.000 2.983 2.673 3.294 . 0 0 "[ . 1 . 2]" 1
331 1 28 ASN H 1 28 ASN HB2 3.500 . 3.500 2.319 2.144 3.583 0.083 16 0 "[ . 1 . 2]" 1
332 1 28 ASN H 1 28 ASN QB 3.000 . 3.000 2.180 2.106 2.470 . 0 0 "[ . 1 . 2]" 1
333 1 28 ASN H 1 28 ASN HB3 3.500 . 3.500 3.350 2.328 3.501 0.001 5 0 "[ . 1 . 2]" 1
334 1 28 ASN H 1 29 CYS H 3.000 . 3.000 2.435 2.250 2.861 . 0 0 "[ . 1 . 2]" 1
335 1 28 ASN HA 1 31 MET H 3.500 . 3.500 3.505 3.389 3.558 0.058 11 0 "[ . 1 . 2]" 1
336 1 28 ASN QB 1 30 VAL H 6.900 . 6.900 4.591 4.300 5.100 . 0 0 "[ . 1 . 2]" 1
337 1 29 CYS CB 1 36 CYS SG 3.100 . 3.100 3.036 3.022 3.067 . 0 0 "[ . 1 . 2]" 1
338 1 29 CYS H 1 29 CYS HB2 3.400 . 3.400 2.225 2.048 2.464 . 0 0 "[ . 1 . 2]" 1
339 1 29 CYS H 1 29 CYS HB3 3.400 . 3.400 3.344 2.638 3.537 0.137 10 0 "[ . 1 . 2]" 1
340 1 29 CYS H 1 30 VAL H 3.200 . 3.200 2.539 2.368 2.703 . 0 0 "[ . 1 . 2]" 1
341 1 29 CYS HA 1 32 GLU H 3.500 . 3.500 3.436 3.127 3.632 0.132 17 0 "[ . 1 . 2]" 1
342 1 29 CYS HA 1 33 ARG H 5.300 . 5.300 3.405 2.346 4.155 . 0 0 "[ . 1 . 2]" 1
343 1 29 CYS HA 1 34 GLY H 5.300 . 5.300 4.632 3.348 5.325 0.025 7 0 "[ . 1 . 2]" 1
344 1 29 CYS QB 1 30 VAL H 3.400 . 3.400 2.806 2.437 3.004 . 0 0 "[ . 1 . 2]" 1
345 1 29 CYS HB2 1 30 VAL H 3.700 . 3.700 3.123 2.656 3.729 0.029 6 0 "[ . 1 . 2]" 1
346 1 29 CYS HB3 1 30 VAL H 3.700 . 3.700 3.423 2.470 3.755 0.055 16 0 "[ . 1 . 2]" 1
347 1 29 CYS SG 1 36 CYS CB 3.100 . 3.100 3.032 3.015 3.077 . 0 0 "[ . 1 . 2]" 1
348 1 29 CYS SG 1 36 CYS SG 2.100 . 2.100 2.030 2.021 2.037 . 0 0 "[ . 1 . 2]" 1
349 1 30 VAL H 1 30 VAL HA 2.900 . 2.900 2.802 2.769 2.855 . 0 0 "[ . 1 . 2]" 1
350 1 30 VAL H 1 30 VAL HB 2.700 . 2.700 2.502 2.117 2.674 . 0 0 "[ . 1 . 2]" 1
351 1 30 VAL H 1 30 VAL QG . . 3.500 2.268 1.947 2.697 . 0 0 "[ . 1 . 2]" 1
352 1 30 VAL H 1 31 MET H 2.800 . 2.800 2.656 2.537 2.747 . 0 0 "[ . 1 . 2]" 1
353 1 30 VAL H 1 32 GLU H 4.500 . 4.500 4.300 3.966 4.524 0.024 17 0 "[ . 1 . 2]" 1
354 1 30 VAL HA 1 30 VAL QG . . 3.100 2.075 1.966 2.156 . 0 0 "[ . 1 . 2]" 1
355 1 30 VAL HA 1 32 GLU H 4.800 . 4.800 4.130 3.501 4.899 0.099 14 0 "[ . 1 . 2]" 1
356 1 30 VAL HB 1 31 MET H 3.400 . 3.400 3.090 2.856 3.513 0.113 15 0 "[ . 1 . 2]" 1
357 1 30 VAL HB 1 84 LEU QD 8.600 . 8.600 5.971 5.652 6.412 . 0 0 "[ . 1 . 2]" 1
358 1 30 VAL QG 1 31 MET H 5.400 . 5.400 3.286 1.830 3.596 . 0 0 "[ . 1 . 2]" 1
359 1 30 VAL QG 1 31 MET HA 8.600 . 8.600 3.706 2.880 4.255 . 0 0 "[ . 1 . 2]" 1
360 1 30 VAL QG 1 84 LEU HA 7.000 . 7.000 4.438 3.188 5.050 . 0 0 "[ . 1 . 2]" 1
361 1 30 VAL QG 1 84 LEU QD . . 7.200 3.942 3.910 3.987 . 0 0 "[ . 1 . 2]" 1
362 1 31 MET H 1 31 MET HA 2.900 . 2.900 2.840 2.764 2.938 0.038 15 0 "[ . 1 . 2]" 1
363 1 31 MET H 1 31 MET QB 3.700 . 3.700 2.474 2.088 3.295 . 0 0 "[ . 1 . 2]" 1
364 1 31 MET H 1 31 MET HG2 4.300 . 4.300 3.645 2.654 4.348 0.048 4 0 "[ . 1 . 2]" 1
365 1 31 MET H 1 31 MET HG3 4.300 . 4.300 3.808 1.923 4.379 0.079 10 0 "[ . 1 . 2]" 1
366 1 31 MET H 1 32 GLU H 3.100 . 3.100 2.585 2.352 2.829 . 0 0 "[ . 1 . 2]" 1
367 1 31 MET HA 1 31 MET QG 4.000 . 4.000 2.738 2.067 3.335 . 0 0 "[ . 1 . 2]" 1
368 1 32 GLU H 1 32 GLU HA 2.800 . 2.800 2.542 2.261 2.919 0.119 15 0 "[ . 1 . 2]" 1
369 1 32 GLU H 1 32 GLU QB 3.600 . 3.600 2.871 2.313 3.231 . 0 0 "[ . 1 . 2]" 1
370 1 32 GLU H 1 33 ARG H 2.900 . 2.900 2.787 2.001 2.970 0.070 2 0 "[ . 1 . 2]" 1
371 1 32 GLU H 1 34 GLY H 4.900 . 4.900 4.028 2.693 4.910 0.010 16 0 "[ . 1 . 2]" 1
372 1 32 GLU HA 1 34 GLY H 4.300 . 4.300 3.645 3.178 4.428 0.128 14 0 "[ . 1 . 2]" 1
373 1 32 GLU QB 1 34 GLY H 5.300 . 5.300 4.397 3.731 4.749 . 0 0 "[ . 1 . 2]" 1
374 1 33 ARG H 1 33 ARG HB2 3.600 . 3.600 3.027 2.300 3.695 0.095 5 0 "[ . 1 . 2]" 1
375 1 33 ARG H 1 33 ARG QB 3.000 . 3.000 2.514 2.273 2.714 . 0 0 "[ . 1 . 2]" 1
376 1 33 ARG H 1 33 ARG HB3 3.600 . 3.600 3.173 2.578 3.655 0.055 13 0 "[ . 1 . 2]" 1
377 1 33 ARG H 1 33 ARG QD 6.100 . 6.100 4.060 2.502 4.873 . 0 0 "[ . 1 . 2]" 1
378 1 33 ARG H 1 33 ARG HG2 4.200 . 4.200 2.911 2.063 3.445 . 0 0 "[ . 1 . 2]" 1
379 1 33 ARG H 1 33 ARG QG 3.700 . 3.700 2.584 1.967 3.294 . 0 0 "[ . 1 . 2]" 1
380 1 33 ARG H 1 33 ARG HG3 4.200 . 4.200 3.352 1.987 4.206 0.006 8 0 "[ . 1 . 2]" 1
381 1 33 ARG H 1 34 GLY H 2.500 . 2.500 2.341 1.943 2.584 0.084 17 0 "[ . 1 . 2]" 1
382 1 33 ARG HA 1 33 ARG HB2 3.000 . 3.000 2.703 2.359 3.010 0.010 1 0 "[ . 1 . 2]" 1
383 1 33 ARG HA 1 33 ARG QB 2.700 . 2.700 2.304 2.169 2.454 . 0 0 "[ . 1 . 2]" 1
384 1 33 ARG HA 1 33 ARG HB3 3.000 . 3.000 2.528 2.434 2.612 . 0 0 "[ . 1 . 2]" 1
385 1 33 ARG QB 1 33 ARG QG 2.500 . 2.500 2.020 2.001 2.070 . 0 0 "[ . 1 . 2]" 1
386 1 33 ARG HB2 1 34 GLY H 5.000 . 5.000 3.819 2.795 4.510 . 0 0 "[ . 1 . 2]" 1
387 1 33 ARG HB3 1 34 GLY H 5.000 . 5.000 4.126 3.638 4.483 . 0 0 "[ . 1 . 2]" 1
388 1 33 ARG HG2 1 34 GLY H 6.000 . 6.000 4.301 2.559 4.941 . 0 0 "[ . 1 . 2]" 1
389 1 33 ARG HG3 1 34 GLY H 6.000 . 6.000 4.374 2.344 5.884 . 0 0 "[ . 1 . 2]" 1
390 1 34 GLY HA2 1 35 LYS H 3.600 . 3.600 2.345 2.150 2.654 . 0 0 "[ . 1 . 2]" 1
391 1 34 GLY HA3 1 35 LYS H 3.600 . 3.600 2.887 2.488 3.484 . 0 0 "[ . 1 . 2]" 1
392 1 35 LYS H 1 35 LYS HA 2.400 . 2.400 2.285 2.271 2.332 . 0 0 "[ . 1 . 2]" 1
393 1 35 LYS H 1 35 LYS QB 3.500 . 3.500 3.035 2.818 3.170 . 0 0 "[ . 1 . 2]" 1
394 1 35 LYS H 1 35 LYS QE 5.600 . 5.600 4.195 3.034 5.005 . 0 0 "[ . 1 . 2]" 1
395 1 35 LYS HA 1 35 LYS QE 4.600 . 4.600 3.678 1.934 4.130 . 0 0 "[ . 1 . 2]" 1
396 1 35 LYS HA 1 39 GLU H 4.400 . 4.400 4.441 4.340 4.485 0.085 2 0 "[ . 1 . 2]" 1
397 1 35 LYS QB 1 36 CYS H 4.800 . 4.800 2.924 1.943 4.036 . 0 0 "[ . 1 . 2]" 1
398 1 36 CYS H 1 36 CYS HA 2.900 . 2.900 2.731 2.265 2.940 0.040 19 0 "[ . 1 . 2]" 1
399 1 36 CYS H 1 36 CYS HB2 3.600 . 3.600 3.001 2.142 3.622 0.022 12 0 "[ . 1 . 2]" 1
400 1 36 CYS H 1 36 CYS QB 3.300 . 3.300 2.643 2.098 3.052 . 0 0 "[ . 1 . 2]" 1
401 1 36 CYS H 1 36 CYS HB3 3.600 . 3.600 3.240 2.221 3.691 0.091 14 0 "[ . 1 . 2]" 1
402 1 36 CYS H 1 37 SER H 4.400 . 4.400 2.810 1.870 4.129 . 0 0 "[ . 1 . 2]" 1
403 1 36 CYS HA 1 36 CYS HB2 3.000 . 3.000 2.656 2.299 2.979 . 0 0 "[ . 1 . 2]" 1
404 1 36 CYS HA 1 36 CYS HB3 3.000 . 3.000 2.751 2.247 3.016 0.016 2 0 "[ . 1 . 2]" 1
405 1 36 CYS HA 1 39 GLU H 4.400 . 4.400 3.640 3.203 4.532 0.132 17 0 "[ . 1 . 2]" 1
406 1 36 CYS HA 1 39 GLU QG 7.400 . 7.400 3.016 1.977 4.269 . 0 0 "[ . 1 . 2]" 1
407 1 36 CYS QB 1 37 SER H 4.100 . 4.100 2.740 1.793 3.727 0.007 17 0 "[ . 1 . 2]" 1
408 1 36 CYS HB2 1 37 SER H 4.700 . 4.700 3.407 1.800 4.285 . 0 0 "[ . 1 . 2]" 1
409 1 36 CYS HB3 1 37 SER H 4.700 . 4.700 3.104 2.153 4.472 . 0 0 "[ . 1 . 2]" 1
410 1 39 GLU H 1 39 GLU QB 3.500 . 3.500 2.344 2.094 2.580 . 0 0 "[ . 1 . 2]" 1
411 1 39 GLU H 1 39 GLU HG2 3.500 . 3.500 2.659 1.992 3.501 0.001 5 0 "[ . 1 . 2]" 1
412 1 39 GLU H 1 39 GLU HG3 3.500 . 3.500 3.469 2.955 3.514 0.014 8 0 "[ . 1 . 2]" 1
413 1 39 GLU H 1 40 GLY H 3.300 . 3.300 2.950 2.499 3.371 0.071 9 0 "[ . 1 . 2]" 1
414 1 39 GLU HA 1 39 GLU HG2 3.800 . 3.800 2.584 2.046 3.175 . 0 0 "[ . 1 . 2]" 1
415 1 39 GLU HA 1 39 GLU QG 3.500 . 3.500 2.521 2.028 3.027 . 0 0 "[ . 1 . 2]" 1
416 1 39 GLU HA 1 39 GLU HG3 3.800 . 3.800 3.634 3.336 3.815 0.015 8 0 "[ . 1 . 2]" 1
417 1 39 GLU QB 1 39 GLU QG 2.500 . 2.500 2.005 1.977 2.018 . 0 0 "[ . 1 . 2]" 1
418 1 39 GLU HB2 1 39 GLU HG2 3.000 . 3.000 2.643 2.456 2.814 . 0 0 "[ . 1 . 2]" 1
419 1 39 GLU HB2 1 39 GLU HG3 3.000 . 3.000 2.272 2.192 2.398 . 0 0 "[ . 1 . 2]" 1
420 1 39 GLU HB3 1 39 GLU HG2 3.000 . 3.000 2.927 2.852 3.004 0.004 11 0 "[ . 1 . 2]" 1
421 1 39 GLU HB3 1 39 GLU HG3 3.000 . 3.000 2.628 2.394 2.813 . 0 0 "[ . 1 . 2]" 1
422 1 39 GLU QG 1 40 GLY H 5.500 . 5.500 4.043 3.747 4.554 . 0 0 "[ . 1 . 2]" 1
423 1 39 GLU HG2 1 40 GLY H 6.000 . 6.000 4.423 3.996 4.984 . 0 0 "[ . 1 . 2]" 1
424 1 39 GLU HG3 1 40 GLY H 6.000 . 6.000 4.727 4.210 5.758 . 0 0 "[ . 1 . 2]" 1
425 1 40 GLY H 1 41 LYS H 3.300 . 3.300 2.798 2.301 3.334 0.034 5 0 "[ . 1 . 2]" 1
426 1 40 GLY QA 1 43 LEU H 4.400 . 4.400 3.305 3.032 3.650 . 0 0 "[ . 1 . 2]" 1
427 1 40 GLY HA2 1 43 LEU H 5.000 . 5.000 3.531 3.265 4.031 . 0 0 "[ . 1 . 2]" 1
428 1 40 GLY HA3 1 43 LEU H 5.000 . 5.000 4.125 3.455 4.769 . 0 0 "[ . 1 . 2]" 1
429 1 40 GLY O 1 44 LYS H 2.000 . 2.000 1.934 1.724 2.054 0.076 14 0 "[ . 1 . 2]" 1
430 1 40 GLY O 1 44 LYS N 3.000 . 3.000 2.843 2.531 3.014 0.014 16 0 "[ . 1 . 2]" 1
431 1 41 LYS H 1 41 LYS HA 2.600 . 2.600 2.697 2.657 2.756 0.156 14 0 "[ . 1 . 2]" 1
432 1 41 LYS H 1 42 GLU H 2.900 . 2.900 2.873 2.768 2.974 0.074 15 0 "[ . 1 . 2]" 1
433 1 41 LYS HA 1 41 LYS QD 4.600 . 4.600 3.214 2.006 4.083 . 0 0 "[ . 1 . 2]" 1
434 1 41 LYS HA 1 44 LYS H 3.300 . 3.300 3.332 3.256 3.391 0.091 9 0 "[ . 1 . 2]" 1
435 1 41 LYS HA 1 45 GLU H 4.300 . 4.300 3.646 3.356 3.906 . 0 0 "[ . 1 . 2]" 1
436 1 41 LYS QD 1 43 LEU H 7.000 . 7.000 5.819 5.089 6.235 . 0 0 "[ . 1 . 2]" 1
437 1 41 LYS O 1 45 GLU H 2.500 . 2.500 1.771 1.717 1.921 0.083 14 0 "[ . 1 . 2]" 1
438 1 41 LYS O 1 45 GLU N 3.500 . 3.500 2.568 2.366 2.702 . 0 0 "[ . 1 . 2]" 1
439 1 42 GLU H 1 42 GLU HB2 3.300 . 3.300 2.584 2.068 3.350 0.050 18 0 "[ . 1 . 2]" 1
440 1 42 GLU H 1 42 GLU HB3 3.300 . 3.300 3.113 2.812 3.334 0.034 18 0 "[ . 1 . 2]" 1
441 1 42 GLU H 1 42 GLU QG 5.100 . 5.100 3.115 1.780 4.031 0.020 3 0 "[ . 1 . 2]" 1
442 1 42 GLU H 1 43 LEU H 2.800 . 2.800 2.703 2.528 2.811 0.011 14 0 "[ . 1 . 2]" 1
443 1 42 GLU HA 1 45 GLU H 3.400 . 3.400 3.426 3.360 3.458 0.058 20 0 "[ . 1 . 2]" 1
444 1 42 GLU HA 1 46 HIS H 3.900 . 3.900 3.922 3.857 3.967 0.067 12 0 "[ . 1 . 2]" 1
445 1 42 GLU O 1 46 HIS H 2.000 . 2.000 1.903 1.794 2.022 0.022 15 0 "[ . 1 . 2]" 1
446 1 42 GLU O 1 46 HIS N 3.000 . 3.000 2.706 2.524 2.847 . 0 0 "[ . 1 . 2]" 1
447 1 43 LEU H 1 43 LEU HA 2.900 . 2.900 2.830 2.775 2.862 . 0 0 "[ . 1 . 2]" 1
448 1 43 LEU H 1 43 LEU HB2 3.600 . 3.600 2.680 2.514 2.830 . 0 0 "[ . 1 . 2]" 1
449 1 43 LEU H 1 43 LEU QB 3.100 . 3.100 2.607 2.468 2.728 . 0 0 "[ . 1 . 2]" 1
450 1 43 LEU H 1 43 LEU HB3 3.600 . 3.600 3.579 3.551 3.597 . 0 0 "[ . 1 . 2]" 1
451 1 43 LEU H 1 43 LEU HG 2.400 . 2.400 2.334 1.940 2.428 0.028 13 0 "[ . 1 . 2]" 1
452 1 43 LEU H 1 44 LYS H 3.000 . 3.000 2.556 2.472 2.641 . 0 0 "[ . 1 . 2]" 1
453 1 43 LEU HA 1 43 LEU HG 2.900 . 2.900 2.673 2.575 2.931 0.031 7 0 "[ . 1 . 2]" 1
454 1 43 LEU HA 1 46 HIS H 3.400 . 3.400 3.384 3.274 3.445 0.045 5 0 "[ . 1 . 2]" 1
455 1 43 LEU HA 1 47 LEU H 4.400 . 4.400 3.765 3.317 4.179 . 0 0 "[ . 1 . 2]" 1
456 1 43 LEU QB 1 44 LYS H 4.000 . 4.000 2.754 2.382 3.147 . 0 0 "[ . 1 . 2]" 1
457 1 43 LEU QD 1 44 LYS H 5.000 . 5.000 3.420 3.150 3.718 . 0 0 "[ . 1 . 2]" 1
458 1 43 LEU QD 1 45 GLU H 6.900 . 6.900 5.091 4.864 5.150 . 0 0 "[ . 1 . 2]" 1
459 1 43 LEU O 1 47 LEU H 2.000 . 2.000 1.970 1.793 2.045 0.045 14 0 "[ . 1 . 2]" 1
460 1 43 LEU O 1 47 LEU N 3.000 . 3.000 2.758 2.460 2.978 . 0 0 "[ . 1 . 2]" 1
461 1 44 LYS HA 1 47 LEU H 3.300 . 3.300 3.295 3.201 3.381 0.081 13 0 "[ . 1 . 2]" 1
462 1 44 LYS HA 1 48 GLN H 4.300 . 4.300 3.257 2.073 4.305 0.005 7 0 "[ . 1 . 2]" 1
463 1 45 GLU H 1 45 GLU HA 2.800 . 2.800 2.802 2.738 2.891 0.091 14 0 "[ . 1 . 2]" 1
464 1 45 GLU H 1 45 GLU HG2 5.000 . 5.000 3.770 2.007 4.367 . 0 0 "[ . 1 . 2]" 1
465 1 45 GLU H 1 45 GLU QG 4.200 . 4.200 3.241 1.993 3.829 . 0 0 "[ . 1 . 2]" 1
466 1 45 GLU H 1 45 GLU HG3 5.000 . 5.000 3.736 2.695 4.361 . 0 0 "[ . 1 . 2]" 1
467 1 45 GLU QB 1 46 HIS H 4.500 . 4.500 2.857 2.488 3.587 . 0 0 "[ . 1 . 2]" 1
468 1 47 LEU H 1 47 LEU HA 2.800 . 2.800 2.812 2.596 2.923 0.123 3 0 "[ . 1 . 2]" 1
469 1 47 LEU H 1 48 GLN H 3.500 . 3.500 2.981 2.402 3.571 0.071 15 0 "[ . 1 . 2]" 1
470 1 47 LEU HA 1 49 ASP H 4.400 . 4.400 3.972 3.631 4.368 . 0 0 "[ . 1 . 2]" 1
471 1 47 LEU HA 1 50 ALA H 3.400 . 3.400 3.453 3.282 3.615 0.215 11 0 "[ . 1 . 2]" 1
472 1 47 LEU QD 1 66 ALA MB 6.600 . 6.600 3.129 1.838 4.100 . 0 0 "[ . 1 . 2]" 1
473 1 47 LEU HG 1 66 ALA MB 6.000 . 6.000 4.768 3.918 5.101 . 0 0 "[ . 1 . 2]" 1
474 1 48 GLN H 1 48 GLN HB2 3.800 . 3.800 2.842 2.101 3.779 . 0 0 "[ . 1 . 2]" 1
475 1 48 GLN H 1 48 GLN QB 3.400 . 3.400 2.427 2.072 3.010 . 0 0 "[ . 1 . 2]" 1
476 1 48 GLN H 1 48 GLN HB3 3.800 . 3.800 2.985 2.251 3.883 0.083 11 0 "[ . 1 . 2]" 1
477 1 48 GLN H 1 48 GLN QE 5.100 . 5.100 4.103 2.906 4.539 . 0 0 "[ . 1 . 2]" 1
478 1 48 GLN HA 1 48 GLN HE21 6.000 . 6.000 3.702 1.902 5.270 . 0 0 "[ . 1 . 2]" 1
479 1 48 GLN HA 1 48 GLN HE22 6.000 . 6.000 4.700 2.940 5.847 . 0 0 "[ . 1 . 2]" 1
480 1 48 GLN HA 1 51 ILE H 4.700 . 4.700 4.428 3.500 4.927 0.227 11 0 "[ . 1 . 2]" 1
481 1 48 GLN HA 1 88 TYR H 7.000 . 7.000 6.048 4.130 7.139 0.139 11 0 "[ . 1 . 2]" 1
482 1 48 GLN HB2 1 88 TYR H 6.000 . 6.000 5.704 4.481 6.085 0.085 2 0 "[ . 1 . 2]" 1
483 1 48 GLN HB3 1 88 TYR H 6.000 . 6.000 5.616 4.610 6.066 0.066 18 0 "[ . 1 . 2]" 1
484 1 48 GLN QE 1 87 LYS QB 6.300 . 6.300 3.887 2.030 5.003 . 0 0 "[ . 1 . 2]" 1
485 1 48 GLN QE 1 87 LYS QE 5.200 . 5.200 2.877 1.827 4.129 . 0 0 "[ . 1 . 2]" 1
486 1 48 GLN QE 1 87 LYS QG 7.400 . 7.400 3.508 2.289 5.794 . 0 0 "[ . 1 . 2]" 1
487 1 48 GLN HE21 1 87 LYS HB2 7.200 . 7.200 5.658 3.181 7.183 . 0 0 "[ . 1 . 2]" 1
488 1 48 GLN HE21 1 87 LYS HB3 7.200 . 7.200 4.834 2.078 6.040 . 0 0 "[ . 1 . 2]" 1
489 1 48 GLN HE21 1 87 LYS QD 6.000 . 6.000 4.412 1.850 5.324 . 0 0 "[ . 1 . 2]" 1
490 1 48 GLN HE21 1 87 LYS HE2 6.200 . 6.200 4.409 1.996 6.190 . 0 0 "[ . 1 . 2]" 1
491 1 48 GLN HE21 1 87 LYS HE3 6.200 . 6.200 4.162 2.204 5.806 . 0 0 "[ . 1 . 2]" 1
492 1 48 GLN HE21 1 88 TYR H 7.000 . 7.000 5.428 3.612 6.982 . 0 0 "[ . 1 . 2]" 1
493 1 48 GLN HE22 1 87 LYS HB2 7.200 . 7.200 5.471 3.067 7.176 . 0 0 "[ . 1 . 2]" 1
494 1 48 GLN HE22 1 87 LYS HB3 7.200 . 7.200 4.811 2.729 6.665 . 0 0 "[ . 1 . 2]" 1
495 1 48 GLN HE22 1 87 LYS QD 6.000 . 6.000 4.085 1.911 5.149 . 0 0 "[ . 1 . 2]" 1
496 1 48 GLN HE22 1 87 LYS HE2 6.200 . 6.200 3.898 1.972 5.772 . 0 0 "[ . 1 . 2]" 1
497 1 48 GLN HE22 1 87 LYS HE3 6.200 . 6.200 3.688 1.944 5.608 . 0 0 "[ . 1 . 2]" 1
498 1 48 GLN HE22 1 88 TYR H 7.000 . 7.000 5.540 1.999 7.000 . 0 0 "[ . 1 . 2]" 1
499 1 49 ASP H 1 50 ALA H 3.600 . 3.600 2.354 1.770 2.654 0.030 10 0 "[ . 1 . 2]" 1
500 1 50 ALA H 1 51 ILE H 3.300 . 3.300 2.382 1.753 3.261 0.047 10 0 "[ . 1 . 2]" 1
501 1 50 ALA HA 1 55 CYS H 3.400 . 3.400 3.409 2.694 3.656 0.256 5 0 "[ . 1 . 2]" 1
502 1 50 ALA MB 1 51 ILE H 4.000 . 4.000 2.871 1.971 3.492 . 0 0 "[ . 1 . 2]" 1
503 1 50 ALA MB 1 55 CYS H 6.000 . 6.000 3.285 1.834 4.740 . 0 0 "[ . 1 . 2]" 1
504 1 53 ASN H 1 53 ASN HB2 3.300 . 3.300 2.899 2.063 3.460 0.160 3 0 "[ . 1 . 2]" 1
505 1 53 ASN H 1 53 ASN HB3 3.300 . 3.300 3.141 2.064 3.500 0.200 12 0 "[ . 1 . 2]" 1
506 1 53 ASN HA 1 53 ASN HB2 2.800 . 2.800 2.690 2.229 2.961 0.161 12 0 "[ . 1 . 2]" 1
507 1 53 ASN HA 1 53 ASN HB3 2.800 . 2.800 2.658 2.237 2.984 0.184 9 0 "[ . 1 . 2]" 1
508 1 53 ASN HA 1 94 TRP HD1 6.500 . 6.500 6.133 4.737 6.539 0.039 11 0 "[ . 1 . 2]" 1
509 1 53 ASN HA 1 94 TRP HE1 4.500 . 4.500 3.987 2.837 4.746 0.246 5 0 "[ . 1 . 2]" 1
510 1 53 ASN HA 1 94 TRP HH2 5.700 . 5.700 4.016 2.872 5.098 . 0 0 "[ . 1 . 2]" 1
511 1 53 ASN HA 1 94 TRP HZ3 6.400 . 6.400 5.795 3.694 6.496 0.096 5 0 "[ . 1 . 2]" 1
512 1 53 ASN QB 1 94 TRP HE1 6.700 . 6.700 4.679 2.069 5.973 . 0 0 "[ . 1 . 2]" 1
513 1 53 ASN QB 1 94 TRP HZ2 7.900 . 7.900 3.800 1.984 4.678 . 0 0 "[ . 1 . 2]" 1
514 1 53 ASN QB 1 94 TRP HZ3 7.800 . 7.800 6.378 3.500 6.984 . 0 0 "[ . 1 . 2]" 1
515 1 53 ASN HB2 1 94 TRP HE1 7.500 . 7.500 5.357 2.079 7.158 . 0 0 "[ . 1 . 2]" 1
516 1 53 ASN HB3 1 94 TRP HE1 7.500 . 7.500 5.516 2.927 6.838 . 0 0 "[ . 1 . 2]" 1
517 1 53 ASN QD 1 93 ASN QB 7.300 . 7.300 4.927 2.837 5.810 . 0 0 "[ . 1 . 2]" 1
518 1 53 ASN HD21 1 93 ASN HB2 8.800 . 8.800 6.344 3.439 8.103 . 0 0 "[ . 1 . 2]" 1
519 1 53 ASN HD21 1 93 ASN HB3 8.800 . 8.800 5.979 3.093 7.370 . 0 0 "[ . 1 . 2]" 1
520 1 53 ASN HD22 1 93 ASN HB2 8.800 . 8.800 6.753 3.951 8.669 . 0 0 "[ . 1 . 2]" 1
521 1 53 ASN HD22 1 93 ASN HB3 8.800 . 8.800 6.474 4.262 8.547 . 0 0 "[ . 1 . 2]" 1
522 1 54 GLY H 1 55 CYS H 3.300 . 3.300 3.012 1.820 3.406 0.106 11 0 "[ . 1 . 2]" 1
523 1 55 CYS CB 1 58 CYS SG 3.100 . 3.100 3.047 3.029 3.100 0.000 16 0 "[ . 1 . 2]" 1
524 1 55 CYS H 1 55 CYS HA 2.800 . 2.800 2.652 2.269 2.914 0.114 2 0 "[ . 1 . 2]" 1
525 1 55 CYS H 1 56 LYS H 2.900 . 2.900 2.816 2.296 2.975 0.075 18 0 "[ . 1 . 2]" 1
526 1 55 CYS H 1 56 LYS QG 4.200 . 4.200 3.759 3.644 3.894 . 0 0 "[ . 1 . 2]" 1
527 1 55 CYS SG 1 58 CYS CB 3.100 . 3.100 3.049 3.031 3.071 . 0 0 "[ . 1 . 2]" 1
528 1 55 CYS SG 1 58 CYS SG 2.100 . 2.100 2.033 2.027 2.040 . 0 0 "[ . 1 . 2]" 1
529 1 56 LYS H 1 56 LYS HA 2.900 . 2.900 2.737 2.273 2.912 0.012 17 0 "[ . 1 . 2]" 1
530 1 56 LYS H 1 56 LYS HB2 3.700 . 3.700 2.958 2.491 3.764 0.064 14 0 "[ . 1 . 2]" 1
531 1 56 LYS H 1 56 LYS QB 3.400 . 3.400 2.741 2.451 3.275 . 0 0 "[ . 1 . 2]" 1
532 1 56 LYS H 1 56 LYS HB3 3.700 . 3.700 3.506 2.739 3.879 0.179 16 0 "[ . 1 . 2]" 1
533 1 56 LYS H 1 57 LYS H 2.900 . 2.900 2.762 1.969 3.033 0.133 5 0 "[ . 1 . 2]" 1
534 1 56 LYS QB 1 57 LYS H 4.400 . 4.400 2.951 2.249 3.771 . 0 0 "[ . 1 . 2]" 1
535 1 57 LYS H 1 57 LYS HB2 3.200 . 3.200 2.825 2.304 3.262 0.062 10 0 "[ . 1 . 2]" 1
536 1 57 LYS H 1 57 LYS HB3 3.200 . 3.200 2.861 2.452 3.401 0.201 5 0 "[ . 1 . 2]" 1
537 1 57 LYS H 1 57 LYS QG 4.800 . 4.800 3.605 1.753 4.260 0.047 13 0 "[ . 1 . 2]" 1
538 1 57 LYS H 1 58 CYS H 2.800 . 2.800 2.422 1.809 2.837 0.037 5 0 "[ . 1 . 2]" 1
539 1 57 LYS HA 1 57 LYS QB 2.700 . 2.700 2.356 2.128 2.443 . 0 0 "[ . 1 . 2]" 1
540 1 57 LYS HA 1 57 LYS QE 6.200 . 6.200 4.042 3.031 4.804 . 0 0 "[ . 1 . 2]" 1
541 1 57 LYS HA 1 57 LYS QG 3.400 . 3.400 2.524 2.226 3.069 . 0 0 "[ . 1 . 2]" 1
542 1 57 LYS QB 1 58 CYS H 4.200 . 4.200 2.673 1.943 3.709 . 0 0 "[ . 1 . 2]" 1
543 1 57 LYS QB 1 62 GLN QE 8.000 . 8.000 5.660 3.526 6.384 . 0 0 "[ . 1 . 2]" 1
544 1 57 LYS HB2 1 57 LYS QE 4.100 . 4.100 2.710 1.985 3.641 . 0 0 "[ . 1 . 2]" 1
545 1 57 LYS HB2 1 58 CYS H 4.400 . 4.400 3.634 1.972 4.421 0.021 4 0 "[ . 1 . 2]" 1
546 1 57 LYS HB3 1 57 LYS QE 4.100 . 4.100 2.875 2.018 3.652 . 0 0 "[ . 1 . 2]" 1
547 1 57 LYS HB3 1 58 CYS H 4.400 . 4.400 2.988 1.954 4.347 . 0 0 "[ . 1 . 2]" 1
548 1 57 LYS QG 1 58 CYS H 7.000 . 7.000 3.668 2.378 4.475 . 0 0 "[ . 1 . 2]" 1
549 1 58 CYS H 1 58 CYS HB2 3.600 . 3.600 3.169 2.248 3.667 0.067 18 0 "[ . 1 . 2]" 1
550 1 58 CYS H 1 58 CYS QB 3.300 . 3.300 2.584 2.224 2.973 . 0 0 "[ . 1 . 2]" 1
551 1 58 CYS H 1 58 CYS HB3 3.600 . 3.600 3.080 2.361 3.638 0.038 3 0 "[ . 1 . 2]" 1
552 1 58 CYS H 1 59 THR H 6.000 . 6.000 4.213 3.532 4.644 . 0 0 "[ . 1 . 2]" 1
553 1 58 CYS HA 1 58 CYS HB2 3.000 . 3.000 2.695 2.338 3.015 0.015 8 0 "[ . 1 . 2]" 1
554 1 58 CYS HA 1 58 CYS HB3 3.000 . 3.000 2.448 2.258 2.689 . 0 0 "[ . 1 . 2]" 1
555 1 58 CYS HA 1 59 THR H 2.400 . 2.400 2.324 2.152 2.455 0.055 4 0 "[ . 1 . 2]" 1
556 1 58 CYS QB 1 59 THR H 4.200 . 4.200 3.323 2.347 3.911 . 0 0 "[ . 1 . 2]" 1
557 1 59 THR H 1 59 THR HB 2.800 . 2.800 2.800 2.422 2.973 0.173 8 0 "[ . 1 . 2]" 1
558 1 59 THR H 1 59 THR HG1 4.200 . 4.200 2.788 1.924 3.342 . 0 0 "[ . 1 . 2]" 1
559 1 59 THR HA 1 60 GLU H 3.500 . 3.500 2.522 2.031 3.554 0.054 8 0 "[ . 1 . 2]" 1
560 1 59 THR HA 1 61 ASN H 5.400 . 5.400 4.953 3.924 5.754 0.354 2 0 "[ . 1 . 2]" 1
561 1 59 THR HB 1 60 GLU H 4.300 . 4.300 3.786 1.970 4.320 0.020 15 0 "[ . 1 . 2]" 1
562 1 59 THR HG1 1 60 GLU H 5.900 . 5.900 2.457 1.730 3.909 0.070 2 0 "[ . 1 . 2]" 1
563 1 59 THR HG1 1 62 GLN H 6.500 . 6.500 4.184 1.926 5.286 . 0 0 "[ . 1 . 2]" 1
564 1 59 THR HG1 1 62 GLN HE21 6.400 . 6.400 3.580 1.962 4.769 . 0 0 "[ . 1 . 2]" 1
565 1 59 THR HG1 1 62 GLN QE 5.900 . 5.900 3.356 1.948 4.177 . 0 0 "[ . 1 . 2]" 1
566 1 59 THR HG1 1 62 GLN HE22 6.400 . 6.400 4.292 2.714 5.090 . 0 0 "[ . 1 . 2]" 1
567 1 60 GLU H 1 60 GLU HA 2.900 . 2.900 2.506 2.182 2.940 0.040 3 0 "[ . 1 . 2]" 1
568 1 60 GLU H 1 60 GLU QB 3.400 . 3.400 2.803 2.292 3.073 . 0 0 "[ . 1 . 2]" 1
569 1 60 GLU H 1 61 ASN H 6.000 . 6.000 3.335 1.908 4.214 . 0 0 "[ . 1 . 2]" 1
570 1 60 GLU HA 1 60 GLU HB2 3.000 . 3.000 2.515 2.233 2.979 . 0 0 "[ . 1 . 2]" 1
571 1 60 GLU HA 1 60 GLU QB 2.700 . 2.700 2.353 2.147 2.428 . 0 0 "[ . 1 . 2]" 1
572 1 60 GLU HA 1 60 GLU HB3 3.000 . 3.000 2.918 2.262 3.018 0.018 11 0 "[ . 1 . 2]" 1
573 1 60 GLU HA 1 60 GLU QG 3.500 . 3.500 2.454 2.199 3.220 . 0 0 "[ . 1 . 2]" 1
574 1 60 GLU HA 1 63 GLU H 3.400 . 3.400 3.465 3.070 3.613 0.213 5 0 "[ . 1 . 2]" 1
575 1 60 GLU HA 1 64 LYS H 5.000 . 5.000 4.628 3.966 5.010 0.010 1 0 "[ . 1 . 2]" 1
576 1 60 GLU QB 1 62 GLN H 5.500 . 5.500 4.502 3.681 4.925 . 0 0 "[ . 1 . 2]" 1
577 1 60 GLU QG 1 64 LYS QE 7.000 . 7.000 4.789 3.411 5.540 . 0 0 "[ . 1 . 2]" 1
578 1 60 GLU O 1 63 GLU H 2.000 . 2.000 1.989 1.754 2.146 0.146 17 0 "[ . 1 . 2]" 1
579 1 60 GLU O 1 63 GLU N 3.000 . 3.000 2.736 2.496 3.070 0.070 17 0 "[ . 1 . 2]" 1
580 1 61 ASN H 1 61 ASN QB 3.900 . 3.900 2.604 2.063 3.404 . 0 0 "[ . 1 . 2]" 1
581 1 61 ASN H 1 62 GLN H 4.300 . 4.300 3.182 2.710 4.044 . 0 0 "[ . 1 . 2]" 1
582 1 61 ASN HA 1 61 ASN HB2 2.800 . 2.800 2.658 2.406 2.904 0.104 2 0 "[ . 1 . 2]" 1
583 1 61 ASN HA 1 61 ASN HB3 2.800 . 2.800 2.504 2.207 2.830 0.030 13 0 "[ . 1 . 2]" 1
584 1 61 ASN HA 1 63 GLU H 4.400 . 4.400 4.109 3.917 4.395 . 0 0 "[ . 1 . 2]" 1
585 1 61 ASN HA 1 64 LYS H 3.300 . 3.300 3.274 3.077 3.390 0.090 6 0 "[ . 1 . 2]" 1
586 1 61 ASN HA 1 65 GLY H 6.500 . 6.500 4.178 3.295 4.953 . 0 0 "[ . 1 . 2]" 1
587 1 61 ASN QB 1 64 LYS H 5.900 . 5.900 4.571 4.357 4.688 . 0 0 "[ . 1 . 2]" 1
588 1 61 ASN HB2 1 62 GLN H 4.300 . 4.300 3.047 1.986 3.815 . 0 0 "[ . 1 . 2]" 1
589 1 61 ASN HB3 1 62 GLN H 4.300 . 4.300 3.346 2.088 4.164 . 0 0 "[ . 1 . 2]" 1
590 1 61 ASN O 1 64 LYS H 2.000 . 2.000 2.032 2.000 2.112 0.112 2 0 "[ . 1 . 2]" 1
591 1 61 ASN O 1 64 LYS N 3.000 . 3.000 2.691 2.555 2.855 . 0 0 "[ . 1 . 2]" 1
592 1 62 GLN H 1 62 GLN QB 3.700 . 3.700 2.686 2.542 2.914 . 0 0 "[ . 1 . 2]" 1
593 1 62 GLN H 1 62 GLN HG2 2.800 . 2.800 2.533 1.895 2.822 0.022 6 0 "[ . 1 . 2]" 1
594 1 62 GLN H 1 62 GLN HG3 2.800 . 2.800 2.165 1.789 2.805 0.011 4 0 "[ . 1 . 2]" 1
595 1 62 GLN H 1 63 GLU H 2.900 . 2.900 2.688 2.509 2.908 0.008 11 0 "[ . 1 . 2]" 1
596 1 62 GLN HA 1 63 GLU QB 5.700 . 5.700 5.124 5.097 5.156 . 0 0 "[ . 1 . 2]" 1
597 1 62 GLN QB 1 63 GLU H 4.200 . 4.200 3.059 2.406 3.540 . 0 0 "[ . 1 . 2]" 1
598 1 62 GLN QG 1 63 GLU H 6.400 . 6.400 2.759 1.897 3.974 . 0 0 "[ . 1 . 2]" 1
599 1 62 GLN O 1 66 ALA H 2.000 . 2.000 2.000 1.942 2.088 0.088 2 0 "[ . 1 . 2]" 1
600 1 62 GLN O 1 66 ALA N 3.000 . 3.000 2.849 2.705 2.997 . 0 0 "[ . 1 . 2]" 1
601 1 63 GLU H 1 63 GLU QB 3.400 . 3.400 2.124 2.047 2.235 . 0 0 "[ . 1 . 2]" 1
602 1 63 GLU H 1 64 LYS H 2.900 . 2.900 2.578 2.486 2.681 . 0 0 "[ . 1 . 2]" 1
603 1 63 GLU H 1 66 ALA MB 7.000 . 7.000 4.476 4.275 4.734 . 0 0 "[ . 1 . 2]" 1
604 1 63 GLU HA 1 66 ALA MB 3.500 . 3.500 2.624 2.192 2.926 . 0 0 "[ . 1 . 2]" 1
605 1 63 GLU QB 1 64 LYS H 4.400 . 4.400 2.639 2.401 2.879 . 0 0 "[ . 1 . 2]" 1
606 1 63 GLU QB 1 66 ALA MB 8.800 . 8.800 4.399 4.065 4.700 . 0 0 "[ . 1 . 2]" 1
607 1 63 GLU O 1 67 TYR H 2.000 . 2.000 1.974 1.776 2.076 0.076 2 0 "[ . 1 . 2]" 1
608 1 63 GLU O 1 67 TYR N 3.000 . 3.000 2.916 2.705 3.041 0.041 2 0 "[ . 1 . 2]" 1
609 1 64 LYS H 1 64 LYS HA 2.700 . 2.700 2.816 2.783 2.842 0.142 18 0 "[ . 1 . 2]" 1
610 1 64 LYS H 1 64 LYS QB 3.800 . 3.800 2.410 2.240 2.612 . 0 0 "[ . 1 . 2]" 1
611 1 64 LYS H 1 64 LYS QE 6.900 . 6.900 4.037 3.604 4.630 . 0 0 "[ . 1 . 2]" 1
612 1 64 LYS H 1 64 LYS QG 4.600 . 4.600 2.943 2.135 3.985 . 0 0 "[ . 1 . 2]" 1
613 1 64 LYS H 1 65 GLY H 3.100 . 3.100 2.785 2.679 2.931 . 0 0 "[ . 1 . 2]" 1
614 1 64 LYS HA 1 64 LYS QB 2.600 . 2.600 2.337 2.297 2.426 . 0 0 "[ . 1 . 2]" 1
615 1 64 LYS HA 1 64 LYS QD 4.700 . 4.700 3.523 2.620 4.204 . 0 0 "[ . 1 . 2]" 1
616 1 64 LYS HA 1 64 LYS QG 3.500 . 3.500 2.481 2.165 2.669 . 0 0 "[ . 1 . 2]" 1
617 1 64 LYS HA 1 67 TYR H 3.700 . 3.700 3.754 3.720 3.821 0.121 5 0 "[ . 1 . 2]" 1
618 1 64 LYS QB 1 64 LYS QE 2.900 . 2.900 2.145 1.933 2.304 . 0 0 "[ . 1 . 2]" 1
619 1 64 LYS HB2 1 64 LYS HE2 3.500 . 3.500 2.385 2.000 3.030 . 0 0 "[ . 1 . 2]" 1
620 1 64 LYS HB2 1 64 LYS HE3 3.500 . 3.500 2.901 2.478 3.480 . 0 0 "[ . 1 . 2]" 1
621 1 64 LYS HB3 1 64 LYS HE2 3.500 . 3.500 3.410 2.880 3.520 0.020 10 0 "[ . 1 . 2]" 1
622 1 64 LYS HB3 1 64 LYS HE3 3.500 . 3.500 3.148 2.620 3.503 0.003 10 0 "[ . 1 . 2]" 1
623 1 64 LYS QE 1 64 LYS QG 3.300 . 3.300 2.214 2.122 2.312 . 0 0 "[ . 1 . 2]" 1
624 1 64 LYS HE2 1 64 LYS HG2 4.100 . 4.100 3.392 3.134 3.569 . 0 0 "[ . 1 . 2]" 1
625 1 64 LYS HE2 1 64 LYS HG3 4.100 . 4.100 3.090 2.203 3.989 . 0 0 "[ . 1 . 2]" 1
626 1 64 LYS HE3 1 64 LYS HG2 4.100 . 4.100 3.128 2.190 4.107 0.007 16 0 "[ . 1 . 2]" 1
627 1 64 LYS HE3 1 64 LYS HG3 4.100 . 4.100 3.487 3.199 3.608 . 0 0 "[ . 1 . 2]" 1
628 1 64 LYS O 1 68 ARG H 2.000 . 2.000 1.798 1.701 2.021 0.099 2 0 "[ . 1 . 2]" 1
629 1 64 LYS O 1 68 ARG N 3.000 . 3.000 2.742 2.594 2.996 . 0 0 "[ . 1 . 2]" 1
630 1 65 GLY H 1 66 ALA H 4.000 . 4.000 2.756 2.699 2.856 . 0 0 "[ . 1 . 2]" 1
631 1 65 GLY H 1 66 ALA MB 5.500 . 5.500 4.425 4.351 4.559 . 0 0 "[ . 1 . 2]" 1
632 1 65 GLY QA 1 68 ARG H 4.300 . 4.300 3.786 3.557 3.909 . 0 0 "[ . 1 . 2]" 1
633 1 65 GLY QA 1 69 VAL H 4.400 . 4.400 3.949 3.811 4.010 . 0 0 "[ . 1 . 2]" 1
634 1 66 ALA H 1 66 ALA MB 3.400 . 3.400 2.205 2.110 2.260 . 0 0 "[ . 1 . 2]" 1
635 1 66 ALA H 1 67 TYR H 3.300 . 3.300 2.828 2.737 2.904 . 0 0 "[ . 1 . 2]" 1
636 1 66 ALA HA 1 68 ARG H 4.900 . 4.900 4.533 4.373 4.696 . 0 0 "[ . 1 . 2]" 1
637 1 66 ALA HA 1 69 VAL H 3.300 . 3.300 3.365 3.331 3.413 0.113 2 0 "[ . 1 . 2]" 1
638 1 66 ALA HA 1 70 ILE H 5.400 . 5.400 4.346 4.142 4.755 . 0 0 "[ . 1 . 2]" 1
639 1 66 ALA MB 1 67 TYR H 3.900 . 3.900 2.194 2.096 2.414 . 0 0 "[ . 1 . 2]" 1
640 1 66 ALA MB 1 67 TYR QB 6.900 . 6.900 3.681 3.613 3.825 . 0 0 "[ . 1 . 2]" 1
641 1 66 ALA MB 1 70 ILE QG 7.900 . 7.900 4.428 4.179 4.682 . 0 0 "[ . 1 . 2]" 1
642 1 66 ALA MB 1 98 TYR CZ 9.000 . 9.000 3.414 2.906 6.989 . 0 0 "[ . 1 . 2]" 1
643 1 66 ALA O 1 69 VAL H 2.000 . 2.000 2.057 2.030 2.104 0.104 5 0 "[ . 1 . 2]" 1
644 1 66 ALA O 1 69 VAL N 3.000 . 3.000 2.649 2.575 2.743 . 0 0 "[ . 1 . 2]" 1
645 1 67 TYR CG 1 68 ARG HA 6.500 . 6.500 5.202 4.968 5.406 . 0 0 "[ . 1 . 2]" 1
646 1 67 TYR CG 1 70 ILE H 8.000 . 8.000 5.158 5.017 5.427 . 0 0 "[ . 1 . 2]" 1
647 1 67 TYR CG 1 74 ILE MD 7.500 . 7.500 5.663 5.408 6.247 . 0 0 "[ . 1 . 2]" 1
648 1 67 TYR CG 1 98 TYR CG 5.000 . 5.000 4.846 4.703 4.990 . 0 0 "[ . 1 . 2]" 1
649 1 67 TYR CG 1 98 TYR HA 7.000 . 7.000 4.689 4.409 6.530 . 0 0 "[ . 1 . 2]" 1
650 1 67 TYR CG 1 98 TYR QB 6.200 . 6.200 5.537 5.462 5.600 . 0 0 "[ . 1 . 2]" 1
651 1 67 TYR CZ 1 67 TYR HA 6.000 . 6.000 4.764 4.696 4.845 . 0 0 "[ . 1 . 2]" 1
652 1 67 TYR CZ 1 68 ARG HA 7.500 . 7.500 7.113 6.681 7.508 0.008 15 0 "[ . 1 . 2]" 1
653 1 67 TYR CZ 1 74 ILE MD 7.500 . 7.500 5.073 4.710 5.602 . 0 0 "[ . 1 . 2]" 1
654 1 67 TYR H 1 67 TYR HB2 3.300 . 3.300 2.211 2.136 2.297 . 0 0 "[ . 1 . 2]" 1
655 1 67 TYR H 1 67 TYR HB3 3.300 . 3.300 3.000 2.874 3.103 . 0 0 "[ . 1 . 2]" 1
656 1 67 TYR H 1 68 ARG H 3.300 . 3.300 2.846 2.759 3.002 . 0 0 "[ . 1 . 2]" 1
657 1 67 TYR HA 1 69 VAL H 4.400 . 4.400 4.175 3.966 4.323 . 0 0 "[ . 1 . 2]" 1
658 1 67 TYR HA 1 70 ILE H 3.900 . 3.900 2.996 2.906 3.460 . 0 0 "[ . 1 . 2]" 1
659 1 67 TYR HA 1 70 ILE HG12 7.200 . 7.200 4.456 3.963 5.507 . 0 0 "[ . 1 . 2]" 1
660 1 67 TYR HA 1 70 ILE HG13 7.200 . 7.200 5.078 4.089 5.570 . 0 0 "[ . 1 . 2]" 1
661 1 67 TYR HA 1 98 TYR CZ 4.400 . 4.400 3.091 2.602 3.961 . 0 0 "[ . 1 . 2]" 1
662 1 67 TYR QB 1 70 ILE HB 8.700 . 8.700 4.765 4.144 5.402 . 0 0 "[ . 1 . 2]" 1
663 1 67 TYR HB2 1 98 TYR CZ 5.400 . 5.400 4.051 3.449 5.338 . 0 0 "[ . 1 . 2]" 1
664 1 67 TYR HB3 1 98 TYR CZ 5.400 . 5.400 5.280 4.727 5.458 0.058 15 0 "[ . 1 . 2]" 1
665 1 67 TYR O 1 70 ILE H 2.000 . 2.000 2.027 2.003 2.053 0.053 18 0 "[ . 1 . 2]" 1
666 1 67 TYR O 1 70 ILE N 3.000 . 3.000 2.665 2.617 2.804 . 0 0 "[ . 1 . 2]" 1
667 1 68 ARG H 1 68 ARG HA 2.900 . 2.900 2.771 2.753 2.793 . 0 0 "[ . 1 . 2]" 1
668 1 68 ARG H 1 68 ARG HB2 3.200 . 3.200 2.211 2.133 2.321 . 0 0 "[ . 1 . 2]" 1
669 1 68 ARG H 1 68 ARG QB 2.900 . 2.900 2.145 2.091 2.209 . 0 0 "[ . 1 . 2]" 1
670 1 68 ARG H 1 68 ARG HB3 3.200 . 3.200 2.913 2.772 3.038 . 0 0 "[ . 1 . 2]" 1
671 1 68 ARG H 1 68 ARG QG 4.500 . 4.500 3.846 3.704 4.000 . 0 0 "[ . 1 . 2]" 1
672 1 68 ARG H 1 69 VAL H 2.900 . 2.900 2.742 2.689 2.776 . 0 0 "[ . 1 . 2]" 1
673 1 68 ARG HA 1 70 ILE H 4.400 . 4.400 4.138 3.971 4.288 . 0 0 "[ . 1 . 2]" 1
674 1 68 ARG HA 1 71 GLU H 4.200 . 4.200 3.485 3.043 3.581 . 0 0 "[ . 1 . 2]" 1
675 1 68 ARG HA 1 72 HIS H 6.300 . 6.300 4.117 3.748 4.275 . 0 0 "[ . 1 . 2]" 1
676 1 68 ARG QB 1 68 ARG QD 3.300 . 3.300 2.104 1.927 2.428 . 0 0 "[ . 1 . 2]" 1
677 1 68 ARG HB2 1 69 VAL H 3.600 . 3.600 3.583 3.433 3.650 0.050 4 0 "[ . 1 . 2]" 1
678 1 68 ARG HB3 1 69 VAL H 3.600 . 3.600 2.632 2.429 2.911 . 0 0 "[ . 1 . 2]" 1
679 1 68 ARG O 1 72 HIS H 2.000 . 2.000 2.078 2.006 2.110 0.110 7 0 "[ . 1 . 2]" 1
680 1 68 ARG O 1 72 HIS N 3.000 . 3.000 2.935 2.820 3.003 0.003 11 0 "[ . 1 . 2]" 1
681 1 69 VAL H 1 69 VAL HA 2.900 . 2.900 2.794 2.754 2.853 . 0 0 "[ . 1 . 2]" 1
682 1 69 VAL H 1 69 VAL HB 2.400 . 2.400 2.374 2.167 2.438 0.038 11 0 "[ . 1 . 2]" 1
683 1 69 VAL H 1 69 VAL QG . . 3.700 2.367 2.198 2.698 . 0 0 "[ . 1 . 2]" 1
684 1 69 VAL H 1 70 ILE H 2.800 . 2.800 2.493 2.425 2.626 . 0 0 "[ . 1 . 2]" 1
685 1 69 VAL HA 1 69 VAL HB 2.900 . 2.900 2.969 2.929 3.000 0.100 1 0 "[ . 1 . 2]" 1
686 1 69 VAL HA 1 71 GLU H 5.200 . 5.200 4.279 4.087 4.442 . 0 0 "[ . 1 . 2]" 1
687 1 69 VAL HA 1 72 HIS H 3.300 . 3.300 3.310 3.220 3.366 0.066 5 0 "[ . 1 . 2]" 1
688 1 69 VAL HA 1 72 HIS HB2 3.900 . 3.900 3.329 2.527 3.908 0.008 19 0 "[ . 1 . 2]" 1
689 1 69 VAL HA 1 72 HIS QB 3.600 . 3.600 2.587 2.465 2.952 . 0 0 "[ . 1 . 2]" 1
690 1 69 VAL HA 1 72 HIS HB3 3.900 . 3.900 2.778 2.512 3.558 . 0 0 "[ . 1 . 2]" 1
691 1 69 VAL HA 1 72 HIS HD2 6.800 . 6.800 5.770 5.315 6.170 . 0 0 "[ . 1 . 2]" 1
692 1 69 VAL HA 1 73 LEU H 4.500 . 4.500 3.671 3.408 3.862 . 0 0 "[ . 1 . 2]" 1
693 1 69 VAL HB 1 70 ILE H 4.200 . 4.200 3.023 2.880 3.136 . 0 0 "[ . 1 . 2]" 1
694 1 69 VAL QG 1 70 ILE H . . 5.100 3.290 2.954 3.405 . 0 0 "[ . 1 . 2]" 1
695 1 69 VAL O 1 73 LEU H 2.000 . 2.000 1.994 1.804 2.044 0.044 18 0 "[ . 1 . 2]" 1
696 1 69 VAL O 1 73 LEU N 3.000 . 3.000 2.925 2.740 2.980 . 0 0 "[ . 1 . 2]" 1
697 1 70 ILE H 1 70 ILE HB 4.100 . 4.100 2.412 2.206 2.609 . 0 0 "[ . 1 . 2]" 1
698 1 70 ILE H 1 71 GLU H 3.000 . 3.000 2.445 2.357 2.551 . 0 0 "[ . 1 . 2]" 1
699 1 70 ILE H 1 98 TYR CZ 9.400 . 9.400 5.174 4.403 5.554 . 0 0 "[ . 1 . 2]" 1
700 1 70 ILE HA 1 70 ILE MD 4.400 . 4.400 2.714 2.226 3.607 . 0 0 "[ . 1 . 2]" 1
701 1 70 ILE HA 1 72 HIS H 4.200 . 4.200 4.225 4.182 4.270 0.070 8 0 "[ . 1 . 2]" 1
702 1 70 ILE HA 1 73 LEU H 3.900 . 3.900 3.505 3.344 3.789 . 0 0 "[ . 1 . 2]" 1
703 1 70 ILE HA 1 74 ILE H 5.200 . 5.200 3.600 3.355 3.766 . 0 0 "[ . 1 . 2]" 1
704 1 70 ILE HA 1 98 TYR CZ 6.000 . 6.000 6.031 5.411 6.096 0.096 11 0 "[ . 1 . 2]" 1
705 1 70 ILE HB 1 70 ILE MD 3.400 . 3.400 2.061 1.952 2.600 . 0 0 "[ . 1 . 2]" 1
706 1 70 ILE HB 1 71 GLU H 3.900 . 3.900 3.685 3.052 3.897 . 0 0 "[ . 1 . 2]" 1
707 1 70 ILE HB 1 98 TYR CG 4.700 . 4.700 3.631 3.483 3.909 . 0 0 "[ . 1 . 2]" 1
708 1 70 ILE MD 1 71 GLU H 6.300 . 6.300 4.938 4.802 5.055 . 0 0 "[ . 1 . 2]" 1
709 1 70 ILE MD 1 81 TRP H 6.700 . 6.700 5.163 4.798 5.312 . 0 0 "[ . 1 . 2]" 1
710 1 70 ILE MD 1 81 TRP HH2 6.200 . 6.200 3.248 3.166 3.381 . 0 0 "[ . 1 . 2]" 1
711 1 70 ILE MD 1 81 TRP HZ2 6.200 . 6.200 5.211 5.186 5.232 . 0 0 "[ . 1 . 2]" 1
712 1 70 ILE MD 1 98 TYR CG 7.400 . 7.400 2.830 2.368 3.587 . 0 0 "[ . 1 . 2]" 1
713 1 70 ILE MD 1 98 TYR CZ 7.400 . 7.400 3.382 2.659 4.336 . 0 0 "[ . 1 . 2]" 1
714 1 70 ILE QG 1 71 GLU H 5.100 . 5.100 1.974 1.862 3.011 . 0 0 "[ . 1 . 2]" 1
715 1 70 ILE QG 1 71 GLU HA 5.300 . 5.300 3.020 2.763 3.150 . 0 0 "[ . 1 . 2]" 1
716 1 70 ILE QG 1 74 ILE H 6.900 . 6.900 3.791 3.479 4.026 . 0 0 "[ . 1 . 2]" 1
717 1 70 ILE QG 1 74 ILE MD 5.600 . 5.600 1.791 1.629 1.990 0.171 15 0 "[ . 1 . 2]" 1
718 1 70 ILE QG 1 74 ILE QG 6.100 . 6.100 2.737 1.861 3.235 . 0 0 "[ . 1 . 2]" 1
719 1 70 ILE QG 1 81 TRP HZ2 7.500 . 7.500 3.983 3.656 4.453 . 0 0 "[ . 1 . 2]" 1
720 1 70 ILE QG 1 98 TYR CG 5.600 . 5.600 2.396 2.175 2.623 . 0 0 "[ . 1 . 2]" 1
721 1 70 ILE QG 1 98 TYR CZ 5.600 . 5.600 3.185 2.401 3.631 . 0 0 "[ . 1 . 2]" 1
722 1 70 ILE QG 1 98 TYR HA 7.400 . 7.400 2.796 2.587 3.950 . 0 0 "[ . 1 . 2]" 1
723 1 70 ILE QG 1 98 TYR QB 7.000 . 7.000 1.675 1.566 2.317 0.234 13 0 "[ . 1 . 2]" 1
724 1 70 ILE HG12 1 71 GLU H 5.800 . 5.800 4.805 4.558 5.047 . 0 0 "[ . 1 . 2]" 1
725 1 70 ILE HG12 1 81 TRP HE3 6.500 . 6.500 5.179 4.849 5.772 . 0 0 "[ . 1 . 2]" 1
726 1 70 ILE HG12 1 81 TRP HZ3 6.500 . 6.500 2.852 2.439 3.795 . 0 0 "[ . 1 . 2]" 1
727 1 70 ILE HG12 1 98 TYR CG 5.800 . 5.800 2.838 2.395 5.435 . 0 0 "[ . 1 . 2]" 1
728 1 70 ILE HG12 1 98 TYR CZ 5.800 . 5.800 4.570 4.127 5.770 . 0 0 "[ . 1 . 2]" 1
729 1 70 ILE HG13 1 71 GLU H 5.800 . 5.800 4.469 4.310 4.850 . 0 0 "[ . 1 . 2]" 1
730 1 70 ILE HG13 1 81 TRP HE3 6.500 . 6.500 4.992 4.314 6.381 . 0 0 "[ . 1 . 2]" 1
731 1 70 ILE HG13 1 81 TRP HZ3 6.500 . 6.500 3.057 2.095 4.755 . 0 0 "[ . 1 . 2]" 1
732 1 70 ILE HG13 1 98 TYR CG 5.800 . 5.800 4.366 4.023 5.326 . 0 0 "[ . 1 . 2]" 1
733 1 70 ILE HG13 1 98 TYR CZ 5.800 . 5.800 5.652 5.347 5.846 0.046 13 0 "[ . 1 . 2]" 1
734 1 70 ILE O 1 74 ILE H 2.000 . 2.000 1.894 1.718 2.014 0.082 3 0 "[ . 1 . 2]" 1
735 1 70 ILE O 1 74 ILE N 3.000 . 3.000 2.689 2.557 2.826 . 0 0 "[ . 1 . 2]" 1
736 1 71 GLU H 1 71 GLU HA 2.800 . 2.800 2.847 2.820 2.867 0.067 2 0 "[ . 1 . 2]" 1
737 1 71 GLU H 1 71 GLU QB 3.900 . 3.900 2.588 2.121 2.709 . 0 0 "[ . 1 . 2]" 1
738 1 71 GLU H 1 72 HIS H 3.000 . 3.000 2.447 2.363 2.589 . 0 0 "[ . 1 . 2]" 1
739 1 71 GLU HA 1 74 ILE H 4.200 . 4.200 3.473 3.231 3.709 . 0 0 "[ . 1 . 2]" 1
740 1 71 GLU HA 1 74 ILE MD 5.500 . 5.500 2.154 1.896 2.407 . 0 0 "[ . 1 . 2]" 1
741 1 71 GLU HA 1 74 ILE QG 4.600 . 4.600 3.000 2.773 3.285 . 0 0 "[ . 1 . 2]" 1
742 1 71 GLU HA 1 75 LYS H 4.800 . 4.800 4.104 3.833 4.446 . 0 0 "[ . 1 . 2]" 1
743 1 71 GLU QB 1 72 HIS HD2 8.100 . 8.100 7.134 6.779 7.221 . 0 0 "[ . 1 . 2]" 1
744 1 71 GLU QG 1 72 HIS H 7.000 . 7.000 2.182 2.087 2.309 . 0 0 "[ . 1 . 2]" 1
745 1 71 GLU QG 1 72 HIS QB 7.300 . 7.300 2.908 2.739 3.192 . 0 0 "[ . 1 . 2]" 1
746 1 71 GLU QG 1 73 LEU H 5.000 . 5.000 4.415 4.369 4.468 . 0 0 "[ . 1 . 2]" 1
747 1 71 GLU QG 1 74 ILE H 7.000 . 7.000 4.993 4.854 5.200 . 0 0 "[ . 1 . 2]" 1
748 1 72 HIS H 1 72 HIS HA 2.900 . 2.900 2.828 2.798 2.869 . 0 0 "[ . 1 . 2]" 1
749 1 72 HIS H 1 72 HIS HB2 3.300 . 3.300 2.424 2.071 2.654 . 0 0 "[ . 1 . 2]" 1
750 1 72 HIS H 1 72 HIS HB3 3.300 . 3.300 2.617 2.372 3.263 . 0 0 "[ . 1 . 2]" 1
751 1 72 HIS H 1 73 LEU H 3.000 . 3.000 2.527 2.381 2.629 . 0 0 "[ . 1 . 2]" 1
752 1 72 HIS HA 1 75 LYS H 3.700 . 3.700 3.708 3.674 3.778 0.078 11 0 "[ . 1 . 2]" 1
753 1 72 HIS QB 1 72 HIS HD1 3.300 . 3.300 2.445 2.411 2.735 . 0 0 "[ . 1 . 2]" 1
754 1 72 HIS QB 1 73 LEU H 3.600 . 3.600 2.471 2.322 2.613 . 0 0 "[ . 1 . 2]" 1
755 1 72 HIS HB2 1 72 HIS HD1 3.700 . 3.700 2.603 2.455 3.791 0.091 19 0 "[ . 1 . 2]" 1
756 1 72 HIS HB2 1 73 LEU H 3.900 . 3.900 3.672 3.014 3.911 0.011 6 0 "[ . 1 . 2]" 1
757 1 72 HIS HB3 1 72 HIS HD1 3.700 . 3.700 3.378 2.638 3.686 . 0 0 "[ . 1 . 2]" 1
758 1 72 HIS HB3 1 73 LEU H 3.900 . 3.900 2.519 2.347 2.797 . 0 0 "[ . 1 . 2]" 1
759 1 72 HIS HD1 1 73 LEU H 5.900 . 5.900 5.493 3.211 5.915 0.015 16 0 "[ . 1 . 2]" 1
760 1 72 HIS HD1 1 73 LEU HA 7.400 . 7.400 6.424 2.730 7.323 . 0 0 "[ . 1 . 2]" 1
761 1 72 HIS HD1 1 76 ASN H 7.700 . 7.700 7.054 3.875 7.691 . 0 0 "[ . 1 . 2]" 1
762 1 72 HIS HD1 1 76 ASN QB 9.500 . 9.500 6.108 2.463 7.546 . 0 0 "[ . 1 . 2]" 1
763 1 72 HIS HD2 1 76 ASN H 6.900 . 6.900 4.293 3.608 6.822 . 0 0 "[ . 1 . 2]" 1
764 1 72 HIS HE1 1 76 ASN QB 8.700 . 8.700 6.242 3.019 7.730 . 0 0 "[ . 1 . 2]" 1
765 1 72 HIS O 1 76 ASN H 2.500 . 2.500 1.951 1.759 2.313 0.041 5 0 "[ . 1 . 2]" 1
766 1 72 HIS O 1 76 ASN N 3.500 . 3.500 2.784 2.520 3.145 . 0 0 "[ . 1 . 2]" 1
767 1 73 LEU H 1 74 ILE H 2.900 . 2.900 2.429 2.268 2.537 . 0 0 "[ . 1 . 2]" 1
768 1 73 LEU H 1 80 ILE QG 5.600 . 5.600 4.087 3.307 4.310 . 0 0 "[ . 1 . 2]" 1
769 1 73 LEU HA 1 75 LYS QG 6.800 . 6.800 5.343 4.316 6.061 . 0 0 "[ . 1 . 2]" 1
770 1 73 LEU HA 1 76 ASN H 4.100 . 4.100 3.036 2.820 3.481 . 0 0 "[ . 1 . 2]" 1
771 1 73 LEU HA 1 77 GLU H 4.900 . 4.900 3.923 3.704 4.101 . 0 0 "[ . 1 . 2]" 1
772 1 73 LEU O 1 77 GLU H 2.000 . 2.000 2.055 2.007 2.084 0.084 8 0 "[ . 1 . 2]" 1
773 1 73 LEU O 1 77 GLU N 3.000 . 3.000 2.985 2.777 3.019 0.019 14 0 "[ . 1 . 2]" 1
774 1 74 ILE H 1 74 ILE HA 2.800 . 2.800 2.755 2.737 2.782 . 0 0 "[ . 1 . 2]" 1
775 1 74 ILE H 1 74 ILE HB 2.500 . 2.500 2.134 2.036 2.261 . 0 0 "[ . 1 . 2]" 1
776 1 74 ILE H 1 74 ILE MD 4.800 . 4.800 3.401 3.233 3.612 . 0 0 "[ . 1 . 2]" 1
777 1 74 ILE H 1 74 ILE QG 4.200 . 4.200 2.850 2.559 3.041 . 0 0 "[ . 1 . 2]" 1
778 1 74 ILE H 1 75 LYS H 2.900 . 2.900 2.850 2.772 2.931 0.031 13 0 "[ . 1 . 2]" 1
779 1 74 ILE H 1 75 LYS QG 7.700 . 7.700 4.762 4.051 5.440 . 0 0 "[ . 1 . 2]" 1
780 1 74 ILE HA 1 74 ILE HB 2.800 . 2.800 2.908 2.879 2.948 0.148 3 0 "[ . 1 . 2]" 1
781 1 74 ILE HA 1 74 ILE MD 4.800 . 4.800 3.620 3.441 3.761 . 0 0 "[ . 1 . 2]" 1
782 1 74 ILE HA 1 77 GLU H 6.000 . 6.000 4.033 3.781 4.228 . 0 0 "[ . 1 . 2]" 1
783 1 74 ILE HA 1 78 ILE HA 4.100 . 4.100 2.163 1.781 2.629 0.019 9 0 "[ . 1 . 2]" 1
784 1 74 ILE HA 1 78 ILE QG 8.200 . 8.200 3.487 2.770 4.536 . 0 0 "[ . 1 . 2]" 1
785 1 74 ILE HA 1 79 GLU QB 7.800 . 7.800 6.298 5.763 6.662 . 0 0 "[ . 1 . 2]" 1
786 1 74 ILE HA 1 81 TRP HE1 7.000 . 7.000 5.933 5.467 6.665 . 0 0 "[ . 1 . 2]" 1
787 1 74 ILE HA 1 107 ILE MD 7.000 . 7.000 4.340 3.786 4.712 . 0 0 "[ . 1 . 2]" 1
788 1 74 ILE HB 1 75 LYS H 3.500 . 3.500 2.781 2.633 2.917 . 0 0 "[ . 1 . 2]" 1
789 1 74 ILE MD 1 75 LYS H 7.000 . 7.000 4.543 4.481 4.634 . 0 0 "[ . 1 . 2]" 1
790 1 74 ILE MD 1 75 LYS QG 8.900 . 8.900 5.542 4.480 6.579 . 0 0 "[ . 1 . 2]" 1
791 1 74 ILE MD 1 80 ILE HB 5.000 . 5.000 4.000 3.627 4.166 . 0 0 "[ . 1 . 2]" 1
792 1 74 ILE MD 1 81 TRP HE1 7.000 . 7.000 4.522 4.200 5.136 . 0 0 "[ . 1 . 2]" 1
793 1 74 ILE MD 1 81 TRP HE3 6.500 . 6.500 4.936 4.667 5.348 . 0 0 "[ . 1 . 2]" 1
794 1 74 ILE MD 1 81 TRP HH2 7.000 . 7.000 1.919 1.762 2.309 0.038 11 0 "[ . 1 . 2]" 1
795 1 74 ILE MD 1 81 TRP HZ2 5.000 . 5.000 2.297 1.911 3.069 . 0 0 "[ . 1 . 2]" 1
796 1 74 ILE MD 1 81 TRP HZ3 6.000 . 6.000 3.447 3.073 3.940 . 0 0 "[ . 1 . 2]" 1
797 1 74 ILE MD 1 97 LYS QG 8.000 . 8.000 5.942 5.923 5.972 . 0 0 "[ . 1 . 2]" 1
798 1 74 ILE MD 1 98 TYR HB2 5.200 . 5.200 4.317 3.762 4.396 . 0 0 "[ . 1 . 2]" 1
799 1 74 ILE MD 1 98 TYR QB 4.600 . 4.600 2.864 2.425 2.985 . 0 0 "[ . 1 . 2]" 1
800 1 74 ILE MD 1 98 TYR HB3 5.200 . 5.200 2.907 2.455 3.037 . 0 0 "[ . 1 . 2]" 1
801 1 74 ILE MD 1 99 GLU H 6.400 . 6.400 4.970 4.704 5.239 . 0 0 "[ . 1 . 2]" 1
802 1 74 ILE MD 1 99 GLU HA 6.300 . 6.300 3.819 3.319 4.467 . 0 0 "[ . 1 . 2]" 1
803 1 74 ILE MD 1 99 GLU QB 8.300 . 8.300 5.157 4.630 5.450 . 0 0 "[ . 1 . 2]" 1
804 1 74 ILE MD 1 99 GLU QG 8.300 . 8.300 5.405 4.340 6.163 . 0 0 "[ . 1 . 2]" 1
805 1 74 ILE MD 1 102 ALA H 6.200 . 6.200 3.557 3.310 3.941 . 0 0 "[ . 1 . 2]" 1
806 1 74 ILE MD 1 102 ALA MB 4.800 . 4.800 2.994 2.699 3.332 . 0 0 "[ . 1 . 2]" 1
807 1 74 ILE MD 1 107 ILE QG 5.900 . 5.900 3.562 3.307 3.765 . 0 0 "[ . 1 . 2]" 1
808 1 74 ILE QG 1 75 LYS H . . 5.600 2.361 2.027 2.750 . 0 0 "[ . 1 . 2]" 1
809 1 74 ILE QG 1 75 LYS HA 5.900 . 5.900 2.908 2.823 3.013 . 0 0 "[ . 1 . 2]" 1
810 1 74 ILE QG 1 75 LYS QB 7.900 . 7.900 3.143 2.499 3.780 . 0 0 "[ . 1 . 2]" 1
811 1 74 ILE QG 1 75 LYS QG 8.600 . 8.600 3.165 1.921 4.632 . 0 0 "[ . 1 . 2]" 1
812 1 74 ILE QG 1 80 ILE HB 5.100 . 5.100 2.970 2.557 3.668 . 0 0 "[ . 1 . 2]" 1
813 1 74 ILE QG 1 81 TRP HE1 7.000 . 7.000 3.742 3.312 4.338 . 0 0 "[ . 1 . 2]" 1
814 1 74 ILE QG 1 99 GLU HA 6.400 . 6.400 4.454 4.047 4.821 . 0 0 "[ . 1 . 2]" 1
815 1 74 ILE QG 1 99 GLU QB 8.400 . 8.400 5.579 4.924 5.761 . 0 0 "[ . 1 . 2]" 1
816 1 74 ILE QG 1 102 ALA MB 4.800 . 4.800 2.513 2.284 2.731 . 0 0 "[ . 1 . 2]" 1
817 1 74 ILE O 1 78 ILE H 2.000 . 2.000 1.956 1.789 2.169 0.169 9 0 "[ . 1 . 2]" 1
818 1 74 ILE O 1 78 ILE N 3.000 . 3.000 2.693 2.483 2.903 . 0 0 "[ . 1 . 2]" 1
819 1 75 LYS H 1 75 LYS HA 2.900 . 2.900 2.871 2.842 2.898 . 0 0 "[ . 1 . 2]" 1
820 1 75 LYS H 1 75 LYS HB2 3.400 . 3.400 3.017 2.254 3.557 0.157 2 0 "[ . 1 . 2]" 1
821 1 75 LYS H 1 75 LYS QB 3.000 . 3.000 2.320 2.121 2.693 . 0 0 "[ . 1 . 2]" 1
822 1 75 LYS H 1 75 LYS HB3 3.400 . 3.400 2.845 2.141 3.566 0.166 17 0 "[ . 1 . 2]" 1
823 1 75 LYS H 1 75 LYS QG 5.100 . 5.100 2.594 1.928 3.219 . 0 0 "[ . 1 . 2]" 1
824 1 75 LYS H 1 76 ASN H 2.800 . 2.800 2.383 2.293 2.628 . 0 0 "[ . 1 . 2]" 1
825 1 75 LYS H 1 107 ILE MD 8.800 . 8.800 4.814 4.575 4.954 . 0 0 "[ . 1 . 2]" 1
826 1 75 LYS H 1 107 ILE QG 7.600 . 7.600 3.623 3.338 4.015 . 0 0 "[ . 1 . 2]" 1
827 1 75 LYS HA 1 77 GLU H 4.100 . 4.100 4.127 3.892 4.186 0.086 19 0 "[ . 1 . 2]" 1
828 1 75 LYS HA 1 107 ILE MD 3.400 . 3.400 2.861 2.834 2.879 . 0 0 "[ . 1 . 2]" 1
829 1 75 LYS QB 1 76 ASN H 4.800 . 4.800 3.080 2.304 3.571 . 0 0 "[ . 1 . 2]" 1
830 1 75 LYS QG 1 78 ILE H 7.700 . 7.700 5.525 5.202 5.939 . 0 0 "[ . 1 . 2]" 1
831 1 75 LYS HG2 1 76 ASN H 6.000 . 6.000 4.098 2.589 4.710 . 0 0 "[ . 1 . 2]" 1
832 1 75 LYS HG3 1 76 ASN H 6.000 . 6.000 3.450 2.140 4.984 . 0 0 "[ . 1 . 2]" 1
833 1 76 ASN H 1 76 ASN HB2 3.500 . 3.500 2.348 2.087 3.345 . 0 0 "[ . 1 . 2]" 1
834 1 76 ASN H 1 76 ASN QB 3.100 . 3.100 2.187 2.059 2.255 . 0 0 "[ . 1 . 2]" 1
835 1 76 ASN H 1 76 ASN HB3 3.500 . 3.500 2.825 2.078 3.520 0.020 16 0 "[ . 1 . 2]" 1
836 1 76 ASN H 1 77 GLU H 2.800 . 2.800 2.793 2.719 2.815 0.015 19 0 "[ . 1 . 2]" 1
837 1 76 ASN H 1 107 ILE QG 7.400 . 7.400 4.791 4.433 5.172 . 0 0 "[ . 1 . 2]" 1
838 1 76 ASN QB 1 77 GLU H 3.400 . 3.400 2.508 2.395 3.038 . 0 0 "[ . 1 . 2]" 1
839 1 76 ASN QB 1 77 GLU HA 6.900 . 6.900 4.586 4.482 5.058 . 0 0 "[ . 1 . 2]" 1
840 1 76 ASN QB 1 77 GLU QB 7.800 . 7.800 3.452 3.073 4.167 . 0 0 "[ . 1 . 2]" 1
841 1 76 ASN QB 1 79 GLU QB 7.000 . 7.000 5.417 4.799 5.637 . 0 0 "[ . 1 . 2]" 1
842 1 76 ASN QB 1 107 ILE HB 9.500 . 9.500 8.213 7.950 8.434 . 0 0 "[ . 1 . 2]" 1
843 1 76 ASN HB2 1 77 GLU H 3.700 . 3.700 3.583 2.755 3.873 0.173 19 0 "[ . 1 . 2]" 1
844 1 76 ASN HB3 1 77 GLU H 3.700 . 3.700 2.594 2.424 3.216 . 0 0 "[ . 1 . 2]" 1
845 1 77 GLU H 1 77 GLU HB2 4.200 . 4.200 3.226 3.012 4.072 . 0 0 "[ . 1 . 2]" 1
846 1 77 GLU H 1 77 GLU QB 3.800 . 3.800 3.052 2.917 3.438 . 0 0 "[ . 1 . 2]" 1
847 1 77 GLU H 1 77 GLU HB3 4.200 . 4.200 3.872 3.704 3.931 . 0 0 "[ . 1 . 2]" 1
848 1 77 GLU H 1 78 ILE H 3.000 . 3.000 1.895 1.771 3.080 0.080 9 0 "[ . 1 . 2]" 1
849 1 77 GLU HA 1 77 GLU QG 3.900 . 3.900 2.253 2.044 3.320 . 0 0 "[ . 1 . 2]" 1
850 1 77 GLU HA 1 78 ILE H 2.700 . 2.700 2.791 2.210 2.871 0.171 2 0 "[ . 1 . 2]" 1
851 1 77 GLU HA 1 78 ILE QG 6.200 . 6.200 3.524 3.140 3.962 . 0 0 "[ . 1 . 2]" 1
852 1 77 GLU HA 1 79 GLU H 4.400 . 4.400 4.330 3.496 4.417 0.017 3 0 "[ . 1 . 2]" 1
853 1 77 GLU HA 1 80 ILE H 6.400 . 6.400 6.451 5.813 6.555 0.155 19 0 "[ . 1 . 2]" 1
854 1 77 GLU HA 1 109 ILE MD 8.000 . 8.000 6.550 6.323 6.683 . 0 0 "[ . 1 . 2]" 1
855 1 78 ILE H 1 78 ILE HA 2.700 . 2.700 2.355 2.303 2.695 . 0 0 "[ . 1 . 2]" 1
856 1 78 ILE H 1 78 ILE QG 4.400 . 4.400 3.005 2.339 3.251 . 0 0 "[ . 1 . 2]" 1
857 1 78 ILE H 1 79 GLU H 3.100 . 3.100 3.100 2.954 3.165 0.065 16 0 "[ . 1 . 2]" 1
858 1 78 ILE H 1 79 GLU QG 6.900 . 6.900 4.359 4.008 4.736 . 0 0 "[ . 1 . 2]" 1
859 1 78 ILE H 1 109 ILE MD 6.800 . 6.800 5.656 5.535 5.692 . 0 0 "[ . 1 . 2]" 1
860 1 78 ILE HA 1 79 GLU QB 5.800 . 5.800 5.050 4.833 5.189 . 0 0 "[ . 1 . 2]" 1
861 1 78 ILE HA 1 81 TRP H 4.200 . 4.200 4.225 4.117 4.322 0.122 2 0 "[ . 1 . 2]" 1
862 1 78 ILE HA 1 82 ARG H 5.900 . 5.900 5.926 5.820 6.001 0.101 9 0 "[ . 1 . 2]" 1
863 1 78 ILE MD 1 80 ILE MD 6.700 . 6.700 4.391 1.924 4.708 . 0 0 "[ . 1 . 2]" 1
864 1 78 ILE MD 1 107 ILE MD 8.000 . 8.000 2.957 1.982 3.833 . 0 0 "[ . 1 . 2]" 1
865 1 78 ILE MD 1 110 PRO HA 7.300 . 7.300 6.035 5.818 6.142 . 0 0 "[ . 1 . 2]" 1
866 1 78 ILE QG 1 79 GLU HA 6.200 . 6.200 3.525 3.412 3.608 . 0 0 "[ . 1 . 2]" 1
867 1 78 ILE QG 1 79 GLU QG 7.100 . 7.100 4.354 3.638 4.814 . 0 0 "[ . 1 . 2]" 1
868 1 78 ILE QG 1 80 ILE MD 8.700 . 8.700 4.434 2.253 5.563 . 0 0 "[ . 1 . 2]" 1
869 1 78 ILE QG 1 107 ILE HB 6.200 . 6.200 4.598 4.148 4.778 . 0 0 "[ . 1 . 2]" 1
870 1 78 ILE QG 1 107 ILE MD 5.300 . 5.300 1.890 1.765 2.425 0.035 12 0 "[ . 1 . 2]" 1
871 1 78 ILE QG 1 109 ILE H 7.000 . 7.000 2.829 2.507 3.241 . 0 0 "[ . 1 . 2]" 1
872 1 78 ILE QG 1 109 ILE HA 4.500 . 4.500 1.757 1.617 1.954 0.183 2 0 "[ . 1 . 2]" 1
873 1 78 ILE QG 1 109 ILE HB 7.000 . 7.000 3.134 2.629 3.703 . 0 0 "[ . 1 . 2]" 1
874 1 78 ILE QG 1 109 ILE MD 8.000 . 8.000 2.212 1.942 2.603 . 0 0 "[ . 1 . 2]" 1
875 1 78 ILE QG 1 109 ILE QG . . 5.900 3.170 2.662 3.420 . 0 0 "[ . 1 . 2]" 1
876 1 78 ILE QG 1 110 PRO HD2 7.000 . 7.000 2.717 2.047 3.223 . 0 0 "[ . 1 . 2]" 1
877 1 78 ILE QG 1 110 PRO QD 6.700 . 6.700 1.749 1.662 1.842 0.138 6 0 "[ . 1 . 2]" 1
878 1 78 ILE QG 1 110 PRO HD3 7.000 . 7.000 1.781 1.720 1.866 0.080 16 0 "[ . 1 . 2]" 1
879 1 78 ILE QG 1 110 PRO QG 4.300 . 4.300 2.846 2.118 2.959 . 0 0 "[ . 1 . 2]" 1
880 1 78 ILE QG 1 111 GLU QG 7.500 . 7.500 5.115 5.096 5.142 . 0 0 "[ . 1 . 2]" 1
881 1 79 GLU H 1 79 GLU HA 2.800 . 2.800 2.861 2.704 2.884 0.084 11 0 "[ . 1 . 2]" 1
882 1 79 GLU H 1 79 GLU QB 3.800 . 3.800 2.640 2.453 2.812 . 0 0 "[ . 1 . 2]" 1
883 1 79 GLU H 1 79 GLU HG2 3.900 . 3.900 2.407 1.904 3.087 . 0 0 "[ . 1 . 2]" 1
884 1 79 GLU H 1 79 GLU HG3 3.900 . 3.900 2.793 1.972 3.523 . 0 0 "[ . 1 . 2]" 1
885 1 79 GLU H 1 80 ILE H 2.800 . 2.800 2.333 2.166 2.730 . 0 0 "[ . 1 . 2]" 1
886 1 79 GLU HA 1 80 ILE H 3.300 . 3.300 3.306 3.223 3.414 0.114 9 0 "[ . 1 . 2]" 1
887 1 79 GLU HA 1 81 TRP H 5.100 . 5.100 4.450 4.234 4.601 . 0 0 "[ . 1 . 2]" 1
888 1 79 GLU HA 1 82 ARG H 3.400 . 3.400 3.418 3.346 3.468 0.068 15 0 "[ . 1 . 2]" 1
889 1 79 GLU HA 1 107 ILE MD 7.600 . 7.600 6.391 6.351 6.422 . 0 0 "[ . 1 . 2]" 1
890 1 79 GLU QB 1 82 ARG H 5.500 . 5.500 4.466 4.270 4.589 . 0 0 "[ . 1 . 2]" 1
891 1 79 GLU QB 1 83 GLU H 6.700 . 6.700 4.635 4.145 4.914 . 0 0 "[ . 1 . 2]" 1
892 1 79 GLU QB 1 110 PRO QD 8.200 . 8.200 5.467 4.861 6.315 . 0 0 "[ . 1 . 2]" 1
893 1 79 GLU QG 1 80 ILE H 4.500 . 4.500 3.154 2.586 4.076 . 0 0 "[ . 1 . 2]" 1
894 1 80 ILE H 1 80 ILE HA 2.800 . 2.800 2.760 2.670 2.796 . 0 0 "[ . 1 . 2]" 1
895 1 80 ILE H 1 80 ILE HB 3.400 . 3.400 2.541 2.422 3.391 . 0 0 "[ . 1 . 2]" 1
896 1 80 ILE H 1 80 ILE MD 4.300 . 4.300 3.239 1.862 3.623 . 0 0 "[ . 1 . 2]" 1
897 1 80 ILE H 1 80 ILE QG . . 4.200 2.007 1.766 2.435 0.034 13 0 "[ . 1 . 2]" 1
898 1 80 ILE HA 1 83 GLU H 3.500 . 3.500 3.369 3.058 3.567 0.067 11 0 "[ . 1 . 2]" 1
899 1 80 ILE HA 1 84 LEU H 4.200 . 4.200 4.062 3.848 4.258 0.058 16 0 "[ . 1 . 2]" 1
900 1 80 ILE HB 1 81 TRP H 3.000 . 3.000 2.149 1.981 2.471 . 0 0 "[ . 1 . 2]" 1
901 1 80 ILE HB 1 81 TRP HH2 7.500 . 7.500 4.412 4.242 4.573 . 0 0 "[ . 1 . 2]" 1
902 1 80 ILE HB 1 99 GLU H 8.100 . 8.100 7.926 7.301 8.123 0.023 11 0 "[ . 1 . 2]" 1
903 1 80 ILE MD 1 81 TRP H 7.000 . 7.000 4.078 1.834 4.537 . 0 0 "[ . 1 . 2]" 1
904 1 80 ILE MD 1 81 TRP HE3 5.400 . 5.400 4.357 3.068 4.573 . 0 0 "[ . 1 . 2]" 1
905 1 80 ILE QG 1 81 TRP H 5.900 . 5.900 2.905 2.787 3.186 . 0 0 "[ . 1 . 2]" 1
906 1 80 ILE QG 1 81 TRP HE3 5.400 . 5.400 2.004 1.762 3.454 0.038 3 0 "[ . 1 . 2]" 1
907 1 80 ILE QG 1 81 TRP HH2 5.900 . 5.900 3.327 3.175 3.824 . 0 0 "[ . 1 . 2]" 1
908 1 80 ILE QG 1 81 TRP HZ2 6.000 . 6.000 4.569 4.366 4.628 . 0 0 "[ . 1 . 2]" 1
909 1 80 ILE QG 1 84 LEU QB 5.900 . 5.900 3.202 2.602 4.040 . 0 0 "[ . 1 . 2]" 1
910 1 80 ILE QG 1 98 TYR HA 7.500 . 7.500 5.750 5.561 5.818 . 0 0 "[ . 1 . 2]" 1
911 1 80 ILE QG 1 98 TYR QB 5.800 . 5.800 3.569 3.423 3.959 . 0 0 "[ . 1 . 2]" 1
912 1 80 ILE O 1 83 GLU H 2.000 . 2.000 1.917 1.693 2.008 0.107 3 0 "[ . 1 . 2]" 1
913 1 80 ILE O 1 83 GLU N 3.000 . 3.000 2.583 2.402 2.726 . 0 0 "[ . 1 . 2]" 1
914 1 80 ILE O 1 84 LEU H 2.000 . 2.000 1.812 1.692 2.062 0.108 11 0 "[ . 1 . 2]" 1
915 1 80 ILE O 1 84 LEU N 3.000 . 3.000 2.681 2.533 2.918 . 0 0 "[ . 1 . 2]" 1
916 1 81 TRP H 1 81 TRP HA 2.800 . 2.800 2.738 2.709 2.755 . 0 0 "[ . 1 . 2]" 1
917 1 81 TRP H 1 81 TRP HE3 4.900 . 4.900 2.594 2.478 2.824 . 0 0 "[ . 1 . 2]" 1
918 1 81 TRP H 1 81 TRP HH2 6.100 . 6.100 5.511 5.331 5.662 . 0 0 "[ . 1 . 2]" 1
919 1 81 TRP H 1 81 TRP HZ2 6.000 . 6.000 5.458 5.309 5.664 . 0 0 "[ . 1 . 2]" 1
920 1 81 TRP H 1 82 ARG H 2.900 . 2.900 2.808 2.720 2.909 0.009 11 0 "[ . 1 . 2]" 1
921 1 81 TRP HA 1 83 GLU H 4.300 . 4.300 4.225 3.933 4.320 0.020 1 0 "[ . 1 . 2]" 1
922 1 81 TRP HA 1 84 LEU H 3.300 . 3.300 3.213 3.094 3.368 0.068 11 0 "[ . 1 . 2]" 1
923 1 81 TRP HA 1 85 THR H 4.500 . 4.500 3.771 3.316 4.194 . 0 0 "[ . 1 . 2]" 1
924 1 81 TRP QB 1 82 ARG H 4.200 . 4.200 2.755 2.486 2.881 . 0 0 "[ . 1 . 2]" 1
925 1 81 TRP QB 1 84 LEU H 6.200 . 6.200 4.712 4.542 4.936 . 0 0 "[ . 1 . 2]" 1
926 1 81 TRP QB 1 102 ALA H 9.400 . 9.400 8.369 8.153 8.422 . 0 0 "[ . 1 . 2]" 1
927 1 81 TRP HB2 1 82 ARG H 4.800 . 4.800 2.819 2.527 2.959 . 0 0 "[ . 1 . 2]" 1
928 1 81 TRP HB3 1 82 ARG H 4.800 . 4.800 3.888 3.683 3.988 . 0 0 "[ . 1 . 2]" 1
929 1 81 TRP HE1 1 107 ILE QG 7.000 . 7.000 4.105 3.806 4.537 . 0 0 "[ . 1 . 2]" 1
930 1 81 TRP HE1 1 109 ILE MD 6.000 . 6.000 4.970 4.746 5.030 . 0 0 "[ . 1 . 2]" 1
931 1 81 TRP HE3 1 82 ARG H 5.900 . 5.900 4.485 4.362 4.642 . 0 0 "[ . 1 . 2]" 1
932 1 81 TRP HE3 1 109 ILE MD 6.200 . 6.200 5.031 4.714 5.176 . 0 0 "[ . 1 . 2]" 1
933 1 81 TRP HZ2 1 101 ARG HB2 5.500 . 5.500 5.513 5.502 5.525 0.025 12 0 "[ . 1 . 2]" 1
934 1 81 TRP HZ2 1 101 ARG HB3 5.500 . 5.500 4.875 4.751 5.020 . 0 0 "[ . 1 . 2]" 1
935 1 81 TRP HZ2 1 102 ALA H 6.000 . 6.000 3.395 3.151 3.582 . 0 0 "[ . 1 . 2]" 1
936 1 81 TRP HZ2 1 102 ALA HA 5.500 . 5.500 4.519 4.028 4.818 . 0 0 "[ . 1 . 2]" 1
937 1 81 TRP HZ2 1 103 LYS H 6.000 . 6.000 5.569 5.116 5.888 . 0 0 "[ . 1 . 2]" 1
938 1 81 TRP HZ2 1 108 VAL QG 10.000 . 10.000 4.911 4.640 5.069 . 0 0 "[ . 1 . 2]" 1
939 1 81 TRP HZ3 1 108 VAL QG 10.000 . 10.000 7.451 7.420 7.483 . 0 0 "[ . 1 . 2]" 1
940 1 81 TRP O 1 85 THR H 2.000 . 2.000 2.008 1.804 2.156 0.156 6 0 "[ . 1 . 2]" 1
941 1 81 TRP O 1 85 THR N 3.000 . 3.000 2.770 2.558 2.962 . 0 0 "[ . 1 . 2]" 1
942 1 82 ARG H 1 82 ARG QD 5.600 . 5.600 3.770 2.794 4.781 . 0 0 "[ . 1 . 2]" 1
943 1 82 ARG H 1 82 ARG QG 4.300 . 4.300 3.657 1.982 3.905 . 0 0 "[ . 1 . 2]" 1
944 1 82 ARG H 1 83 GLU H 2.900 . 2.900 2.612 2.364 2.759 . 0 0 "[ . 1 . 2]" 1
945 1 82 ARG HA 1 82 ARG QG 3.400 . 3.400 2.206 2.021 2.966 . 0 0 "[ . 1 . 2]" 1
946 1 82 ARG HA 1 83 GLU H 3.600 . 3.600 3.523 3.454 3.548 . 0 0 "[ . 1 . 2]" 1
947 1 82 ARG HA 1 84 LEU H 4.400 . 4.400 4.360 4.045 4.522 0.122 11 0 "[ . 1 . 2]" 1
948 1 82 ARG HA 1 85 THR H 4.000 . 4.000 3.630 3.216 4.055 0.055 11 0 "[ . 1 . 2]" 1
949 1 82 ARG HA 1 85 THR HG1 7.300 . 7.300 2.182 1.766 2.830 0.034 16 0 "[ . 1 . 2]" 1
950 1 82 ARG HA 1 86 ALA H 5.800 . 5.800 4.416 4.014 4.916 . 0 0 "[ . 1 . 2]" 1
951 1 82 ARG QD 1 85 THR HG1 6.200 . 6.200 3.909 2.851 4.385 . 0 0 "[ . 1 . 2]" 1
952 1 82 ARG O 1 86 ALA H 2.500 . 2.500 2.460 2.343 2.608 0.108 6 0 "[ . 1 . 2]" 1
953 1 82 ARG O 1 86 ALA N 3.500 . 3.500 3.272 3.108 3.431 . 0 0 "[ . 1 . 2]" 1
954 1 83 GLU H 1 83 GLU HA 2.800 . 2.800 2.788 2.691 2.877 0.077 11 0 "[ . 1 . 2]" 1
955 1 83 GLU H 1 83 GLU QG 4.100 . 4.100 2.819 1.916 3.684 . 0 0 "[ . 1 . 2]" 1
956 1 83 GLU H 1 84 LEU H 2.600 . 2.600 2.325 2.118 2.653 0.053 6 0 "[ . 1 . 2]" 1
957 1 83 GLU HA 1 84 LEU H 3.400 . 3.400 3.367 3.304 3.463 0.063 1 0 "[ . 1 . 2]" 1
958 1 83 GLU HA 1 85 THR H 4.300 . 4.300 4.027 3.736 4.309 0.009 1 0 "[ . 1 . 2]" 1
959 1 83 GLU HA 1 86 ALA H 3.500 . 3.500 3.300 2.987 3.632 0.132 6 0 "[ . 1 . 2]" 1
960 1 83 GLU HA 1 87 LYS H 4.300 . 4.300 3.922 3.560 4.219 . 0 0 "[ . 1 . 2]" 1
961 1 83 GLU HA 1 88 TYR CZ 8.100 . 8.100 7.256 5.844 8.105 0.005 15 0 "[ . 1 . 2]" 1
962 1 83 GLU QG 1 84 LEU H 6.900 . 6.900 3.321 1.944 4.607 . 0 0 "[ . 1 . 2]" 1
963 1 83 GLU O 1 87 LYS H 2.000 . 2.000 1.970 1.759 2.138 0.138 11 0 "[ . 1 . 2]" 1
964 1 83 GLU O 1 87 LYS N 3.000 . 3.000 2.809 2.536 3.015 0.015 11 0 "[ . 1 . 2]" 1
965 1 84 LEU H 1 84 LEU HB2 3.900 . 3.900 2.436 2.070 3.654 . 0 0 "[ . 1 . 2]" 1
966 1 84 LEU H 1 84 LEU QB 3.500 . 3.500 2.304 2.052 2.999 . 0 0 "[ . 1 . 2]" 1
967 1 84 LEU H 1 84 LEU HB3 3.900 . 3.900 3.432 2.725 3.546 . 0 0 "[ . 1 . 2]" 1
968 1 84 LEU H 1 84 LEU HG 3.800 . 3.800 3.666 2.015 3.867 0.067 1 0 "[ . 1 . 2]" 1
969 1 84 LEU H 1 85 THR H 2.800 . 2.800 2.470 2.332 2.716 . 0 0 "[ . 1 . 2]" 1
970 1 84 LEU QB 1 85 THR H 3.800 . 3.800 2.958 2.621 3.511 . 0 0 "[ . 1 . 2]" 1
971 1 84 LEU HB2 1 85 THR H 4.300 . 4.300 3.116 2.784 3.827 . 0 0 "[ . 1 . 2]" 1
972 1 84 LEU HB3 1 85 THR H 4.300 . 4.300 3.714 3.195 4.303 0.003 3 0 "[ . 1 . 2]" 1
973 1 84 LEU QD 1 87 LYS H 6.400 . 6.400 4.282 3.467 4.774 . 0 0 "[ . 1 . 2]" 1
974 1 85 THR H 1 85 THR HA 2.900 . 2.900 2.847 2.739 2.921 0.021 11 0 "[ . 1 . 2]" 1
975 1 85 THR H 1 85 THR HB 3.200 . 3.200 2.520 2.192 2.714 . 0 0 "[ . 1 . 2]" 1
976 1 85 THR H 1 85 THR HG1 3.400 . 3.400 2.352 2.058 2.730 . 0 0 "[ . 1 . 2]" 1
977 1 85 THR H 1 86 ALA H 2.800 . 2.800 2.353 2.148 2.728 . 0 0 "[ . 1 . 2]" 1
978 1 85 THR HA 1 89 ASP H 4.700 . 4.700 4.723 4.520 4.923 0.223 11 0 "[ . 1 . 2]" 1
979 1 85 THR HB 1 86 ALA H 3.900 . 3.900 3.830 3.578 3.930 0.030 1 0 "[ . 1 . 2]" 1
980 1 85 THR HB 1 86 ALA MB 7.000 . 7.000 5.125 4.888 5.458 . 0 0 "[ . 1 . 2]" 1
981 1 85 THR HG1 1 86 ALA H 5.000 . 5.000 2.054 1.913 2.198 . 0 0 "[ . 1 . 2]" 1
982 1 85 THR HG1 1 86 ALA HA 4.300 . 4.300 3.240 3.074 3.344 . 0 0 "[ . 1 . 2]" 1
983 1 86 ALA H 1 86 ALA HA 2.900 . 2.900 2.881 2.772 2.940 0.040 6 0 "[ . 1 . 2]" 1
984 1 86 ALA H 1 86 ALA MB 3.400 . 3.400 2.177 2.025 2.360 . 0 0 "[ . 1 . 2]" 1
985 1 86 ALA H 1 87 LYS H 2.600 . 2.600 2.386 2.156 2.649 0.049 11 0 "[ . 1 . 2]" 1
986 1 86 ALA MB 1 87 LYS H 3.400 . 3.400 2.693 2.428 2.816 . 0 0 "[ . 1 . 2]" 1
987 1 87 LYS H 1 87 LYS HA 2.900 . 2.900 2.902 2.767 2.936 0.036 3 0 "[ . 1 . 2]" 1
988 1 87 LYS H 1 88 TYR H 4.300 . 4.300 4.053 2.363 4.426 0.126 4 0 "[ . 1 . 2]" 1
989 1 88 TYR H 1 88 TYR HA 2.600 . 2.600 2.298 2.278 2.334 . 0 0 "[ . 1 . 2]" 1
990 1 88 TYR H 1 89 ASP H 2.900 . 2.900 2.730 2.327 2.960 0.060 10 0 "[ . 1 . 2]" 1
991 1 88 TYR H 1 90 PRO QD 5.200 . 5.200 3.051 2.233 3.991 . 0 0 "[ . 1 . 2]" 1
992 1 88 TYR HA 1 90 PRO HD2 5.800 . 5.800 3.450 2.537 3.998 . 0 0 "[ . 1 . 2]" 1
993 1 88 TYR HA 1 90 PRO HD3 5.800 . 5.800 5.079 3.946 5.724 . 0 0 "[ . 1 . 2]" 1
994 1 88 TYR HA 1 90 PRO HG2 6.000 . 6.000 3.985 3.270 5.316 . 0 0 "[ . 1 . 2]" 1
995 1 88 TYR HA 1 90 PRO HG3 6.000 . 6.000 5.327 4.653 6.016 0.016 8 0 "[ . 1 . 2]" 1
996 1 88 TYR HA 1 91 THR H 3.500 . 3.500 3.517 3.049 3.663 0.163 15 0 "[ . 1 . 2]" 1
997 1 88 TYR HA 1 92 GLY H 5.300 . 5.300 4.441 2.584 5.329 0.029 20 0 "[ . 1 . 2]" 1
998 1 88 TYR HA 1 94 TRP HD1 6.400 . 6.400 6.374 5.055 6.616 0.216 11 0 "[ . 1 . 2]" 1
999 1 90 PRO QB 1 91 THR H 3.800 . 3.800 3.049 2.418 3.389 . 0 0 "[ . 1 . 2]" 1
1000 1 90 PRO QB 1 91 THR HA 4.800 . 4.800 4.010 3.789 4.342 . 0 0 "[ . 1 . 2]" 1
1001 1 90 PRO QD 1 91 THR H 5.600 . 5.600 2.944 1.939 3.434 . 0 0 "[ . 1 . 2]" 1
1002 1 90 PRO QG 1 91 THR HA 6.300 . 6.300 4.737 3.727 5.616 . 0 0 "[ . 1 . 2]" 1
1003 1 91 THR H 1 91 THR HG1 3.900 . 3.900 2.382 1.922 2.896 . 0 0 "[ . 1 . 2]" 1
1004 1 91 THR H 1 92 GLY H 3.300 . 3.300 2.878 2.027 3.522 0.222 4 0 "[ . 1 . 2]" 1
1005 1 91 THR HA 1 93 ASN H 5.300 . 5.300 4.560 3.059 5.329 0.029 14 0 "[ . 1 . 2]" 1
1006 1 91 THR HB 1 92 GLY H 3.600 . 3.600 3.033 1.922 3.793 0.193 4 0 "[ . 1 . 2]" 1
1007 1 91 THR HG1 1 92 GLY H 4.200 . 4.200 2.440 1.859 3.364 . 0 0 "[ . 1 . 2]" 1
1008 1 91 THR HG1 1 93 ASN H 7.000 . 7.000 3.574 1.882 5.563 . 0 0 "[ . 1 . 2]" 1
1009 1 92 GLY H 1 92 GLY HA2 2.900 . 2.900 2.431 2.288 2.942 0.042 4 0 "[ . 1 . 2]" 1
1010 1 92 GLY H 1 92 GLY QA 2.700 . 2.700 2.200 2.182 2.326 . 0 0 "[ . 1 . 2]" 1
1011 1 92 GLY H 1 92 GLY HA3 2.900 . 2.900 2.647 2.286 2.925 0.025 13 0 "[ . 1 . 2]" 1
1012 1 92 GLY H 1 93 ASN H 3.100 . 3.100 3.041 2.731 3.172 0.072 13 0 "[ . 1 . 2]" 1
1013 1 92 GLY QA 1 94 TRP H 6.900 . 6.900 3.769 2.908 4.332 . 0 0 "[ . 1 . 2]" 1
1014 1 92 GLY QA 1 94 TRP HD1 6.300 . 6.300 4.294 2.423 5.419 . 0 0 "[ . 1 . 2]" 1
1015 1 92 GLY QA 1 95 ARG H 5.700 . 5.700 3.966 2.624 5.133 . 0 0 "[ . 1 . 2]" 1
1016 1 92 GLY HA2 1 94 TRP HD1 6.500 . 6.500 4.763 2.582 5.819 . 0 0 "[ . 1 . 2]" 1
1017 1 92 GLY HA3 1 94 TRP HD1 6.500 . 6.500 5.235 2.864 6.532 0.032 16 0 "[ . 1 . 2]" 1
1018 1 93 ASN H 1 93 ASN HB2 3.500 . 3.500 2.939 2.130 3.249 . 0 0 "[ . 1 . 2]" 1
1019 1 93 ASN H 1 93 ASN QB 3.300 . 3.300 2.741 2.091 3.017 . 0 0 "[ . 1 . 2]" 1
1020 1 93 ASN H 1 93 ASN HB3 3.500 . 3.500 3.371 2.924 3.725 0.225 18 0 "[ . 1 . 2]" 1
1021 1 93 ASN H 1 94 TRP H 2.900 . 2.900 2.254 1.874 2.959 0.059 13 0 "[ . 1 . 2]" 1
1022 1 93 ASN HA 1 95 ARG H 6.000 . 6.000 4.498 3.574 5.207 . 0 0 "[ . 1 . 2]" 1
1023 1 93 ASN HA 1 96 LYS H 4.100 . 4.100 4.082 3.969 4.227 0.127 13 0 "[ . 1 . 2]" 1
1024 1 93 ASN QB 1 94 TRP H 4.400 . 4.400 3.061 2.400 3.930 . 0 0 "[ . 1 . 2]" 1
1025 1 93 ASN QB 1 94 TRP HD1 5.900 . 5.900 3.833 2.662 4.946 . 0 0 "[ . 1 . 2]" 1
1026 1 93 ASN QB 1 94 TRP HE1 4.700 . 4.700 3.731 3.038 4.221 . 0 0 "[ . 1 . 2]" 1
1027 1 93 ASN QB 1 94 TRP HH2 8.100 . 8.100 5.548 3.394 6.420 . 0 0 "[ . 1 . 2]" 1
1028 1 93 ASN HB2 1 94 TRP HD1 6.300 . 6.300 4.702 3.107 5.824 . 0 0 "[ . 1 . 2]" 1
1029 1 93 ASN HB2 1 94 TRP HE1 4.900 . 4.900 4.629 3.236 4.989 0.089 18 0 "[ . 1 . 2]" 1
1030 1 93 ASN HB3 1 94 TRP HD1 6.300 . 6.300 4.173 2.772 5.349 . 0 0 "[ . 1 . 2]" 1
1031 1 93 ASN HB3 1 94 TRP HE1 4.900 . 4.900 4.042 3.165 4.685 . 0 0 "[ . 1 . 2]" 1
1032 1 94 TRP H 1 94 TRP QB 3.900 . 3.900 2.749 2.488 3.025 . 0 0 "[ . 1 . 2]" 1
1033 1 94 TRP H 1 94 TRP HD1 5.000 . 5.000 2.703 1.825 4.056 . 0 0 "[ . 1 . 2]" 1
1034 1 94 TRP H 1 95 ARG H 2.700 . 2.700 2.159 1.793 2.488 0.007 13 0 "[ . 1 . 2]" 1
1035 1 94 TRP HA 1 97 LYS H 6.000 . 6.000 3.370 3.050 3.752 . 0 0 "[ . 1 . 2]" 1
1036 1 94 TRP QB 1 94 TRP HH2 6.800 . 6.800 5.939 5.833 6.088 . 0 0 "[ . 1 . 2]" 1
1037 1 94 TRP QB 1 94 TRP HZ3 6.000 . 6.000 4.793 4.627 5.037 . 0 0 "[ . 1 . 2]" 1
1038 1 94 TRP QB 1 95 ARG H 4.400 . 4.400 2.727 2.283 3.403 . 0 0 "[ . 1 . 2]" 1
1039 1 94 TRP O 1 97 LYS H 2.000 . 2.000 2.014 1.921 2.042 0.042 5 0 "[ . 1 . 2]" 1
1040 1 94 TRP O 1 97 LYS N 3.000 . 3.000 2.807 2.589 2.879 . 0 0 "[ . 1 . 2]" 1
1041 1 94 TRP O 1 98 TYR H 2.500 . 2.500 2.429 1.783 2.592 0.092 15 0 "[ . 1 . 2]" 1
1042 1 94 TRP O 1 98 TYR N 3.500 . 3.500 3.366 2.735 3.522 0.022 15 0 "[ . 1 . 2]" 1
1043 1 95 ARG H 1 95 ARG QB 3.700 . 3.700 2.269 2.040 2.715 . 0 0 "[ . 1 . 2]" 1
1044 1 95 ARG H 1 96 LYS H 3.200 . 3.200 2.665 2.556 2.925 . 0 0 "[ . 1 . 2]" 1
1045 1 95 ARG HA 1 98 TYR H 3.300 . 3.300 3.232 2.788 3.396 0.096 11 0 "[ . 1 . 2]" 1
1046 1 95 ARG HA 1 99 GLU H 4.400 . 4.400 3.989 3.711 4.323 . 0 0 "[ . 1 . 2]" 1
1047 1 95 ARG O 1 99 GLU H 2.000 . 2.000 1.843 1.753 2.011 0.047 15 0 "[ . 1 . 2]" 1
1048 1 95 ARG O 1 99 GLU N 3.000 . 3.000 2.657 2.551 2.878 . 0 0 "[ . 1 . 2]" 1
1049 1 96 LYS H 1 96 LYS HA 2.900 . 2.900 2.806 2.776 2.844 . 0 0 "[ . 1 . 2]" 1
1050 1 96 LYS H 1 96 LYS QB 3.100 . 3.100 2.330 2.132 2.591 . 0 0 "[ . 1 . 2]" 1
1051 1 96 LYS H 1 96 LYS QD 5.700 . 5.700 4.080 3.104 4.564 . 0 0 "[ . 1 . 2]" 1
1052 1 96 LYS H 1 96 LYS QE 7.000 . 7.000 5.200 4.140 6.087 . 0 0 "[ . 1 . 2]" 1
1053 1 96 LYS H 1 97 LYS H 2.800 . 2.800 2.661 2.547 2.765 . 0 0 "[ . 1 . 2]" 1
1054 1 96 LYS HA 1 96 LYS QD 4.700 . 4.700 3.588 2.394 4.233 . 0 0 "[ . 1 . 2]" 1
1055 1 96 LYS HA 1 99 GLU H 3.300 . 3.300 3.356 3.315 3.404 0.104 11 0 "[ . 1 . 2]" 1
1056 1 96 LYS HA 1 100 ASP H 4.000 . 4.000 3.840 3.593 4.010 0.010 1 0 "[ . 1 . 2]" 1
1057 1 96 LYS QD 1 97 LYS H 7.000 . 7.000 4.200 2.355 5.368 . 0 0 "[ . 1 . 2]" 1
1058 1 96 LYS QG 1 98 TYR H 7.000 . 7.000 5.296 4.195 6.179 . 0 0 "[ . 1 . 2]" 1
1059 1 96 LYS O 1 100 ASP H 2.000 . 2.000 1.886 1.794 2.011 0.011 16 0 "[ . 1 . 2]" 1
1060 1 96 LYS O 1 100 ASP N 3.000 . 3.000 2.705 2.531 2.920 . 0 0 "[ . 1 . 2]" 1
1061 1 97 LYS H 1 97 LYS HA 2.900 . 2.900 2.840 2.807 2.860 . 0 0 "[ . 1 . 2]" 1
1062 1 97 LYS H 1 97 LYS HB2 2.900 . 2.900 2.888 2.737 2.936 0.036 6 0 "[ . 1 . 2]" 1
1063 1 97 LYS H 1 97 LYS HB3 2.900 . 2.900 2.214 2.166 2.254 . 0 0 "[ . 1 . 2]" 1
1064 1 97 LYS H 1 97 LYS QD 6.000 . 6.000 4.484 4.326 4.737 . 0 0 "[ . 1 . 2]" 1
1065 1 97 LYS H 1 97 LYS QE 7.000 . 7.000 5.195 4.400 5.975 . 0 0 "[ . 1 . 2]" 1
1066 1 97 LYS H 1 97 LYS QG 4.700 . 4.700 3.786 3.735 3.864 . 0 0 "[ . 1 . 2]" 1
1067 1 97 LYS H 1 98 TYR H 2.700 . 2.700 2.591 2.399 2.715 0.015 6 0 "[ . 1 . 2]" 1
1068 1 97 LYS H 1 99 GLU H 6.000 . 6.000 3.744 3.568 3.944 . 0 0 "[ . 1 . 2]" 1
1069 1 97 LYS H 1 100 ASP H 6.000 . 6.000 4.458 4.238 4.676 . 0 0 "[ . 1 . 2]" 1
1070 1 97 LYS HA 1 97 LYS HB2 2.900 . 2.900 2.314 2.290 2.334 . 0 0 "[ . 1 . 2]" 1
1071 1 97 LYS HA 1 97 LYS HB3 2.900 . 2.900 2.977 2.948 2.990 0.090 7 0 "[ . 1 . 2]" 1
1072 1 97 LYS HA 1 97 LYS QD 4.400 . 4.400 3.768 2.293 3.903 . 0 0 "[ . 1 . 2]" 1
1073 1 97 LYS HA 1 99 GLU H 4.300 . 4.300 4.140 3.952 4.310 0.010 20 0 "[ . 1 . 2]" 1
1074 1 97 LYS HA 1 100 ASP H 3.400 . 3.400 3.360 3.191 3.427 0.027 19 0 "[ . 1 . 2]" 1
1075 1 97 LYS QB 1 98 TYR H 4.400 . 4.400 2.557 2.402 2.734 . 0 0 "[ . 1 . 2]" 1
1076 1 97 LYS HB2 1 98 TYR H 4.700 . 4.700 3.933 3.827 4.057 . 0 0 "[ . 1 . 2]" 1
1077 1 97 LYS HB2 1 100 ASP H 6.000 . 6.000 5.527 5.406 5.628 . 0 0 "[ . 1 . 2]" 1
1078 1 97 LYS HB3 1 98 TYR H 4.700 . 4.700 2.591 2.427 2.779 . 0 0 "[ . 1 . 2]" 1
1079 1 97 LYS HB3 1 100 ASP H 6.000 . 6.000 5.428 5.244 5.654 . 0 0 "[ . 1 . 2]" 1
1080 1 97 LYS O 1 101 ARG H 2.500 . 2.500 2.511 2.181 2.581 0.081 15 0 "[ . 1 . 2]" 1
1081 1 97 LYS O 1 101 ARG N 3.500 . 3.500 3.426 3.059 3.510 0.010 15 0 "[ . 1 . 2]" 1
1082 1 98 TYR CZ 1 98 TYR HA 5.700 . 5.700 4.892 4.539 5.012 . 0 0 "[ . 1 . 2]" 1
1083 1 98 TYR H 1 98 TYR HB2 3.500 . 3.500 2.342 2.099 2.475 . 0 0 "[ . 1 . 2]" 1
1084 1 98 TYR H 1 98 TYR QB 3.100 . 3.100 2.310 2.074 2.432 . 0 0 "[ . 1 . 2]" 1
1085 1 98 TYR H 1 98 TYR HB3 3.500 . 3.500 3.532 3.247 3.569 0.069 2 0 "[ . 1 . 2]" 1
1086 1 98 TYR H 1 99 GLU H 3.000 . 3.000 2.596 2.496 2.684 . 0 0 "[ . 1 . 2]" 1
1087 1 98 TYR H 1 100 ASP H 6.000 . 6.000 4.071 3.908 4.387 . 0 0 "[ . 1 . 2]" 1
1088 1 98 TYR HA 1 98 TYR HB2 3.000 . 3.000 2.999 2.839 3.015 0.015 2 0 "[ . 1 . 2]" 1
1089 1 98 TYR HA 1 98 TYR HB3 3.000 . 3.000 2.546 2.450 2.839 . 0 0 "[ . 1 . 2]" 1
1090 1 98 TYR HA 1 100 ASP H 5.000 . 5.000 4.392 4.240 4.808 . 0 0 "[ . 1 . 2]" 1
1091 1 98 TYR HA 1 102 ALA H 6.000 . 6.000 4.984 4.271 5.287 . 0 0 "[ . 1 . 2]" 1
1092 1 98 TYR QB 1 99 GLU H 4.400 . 4.400 2.829 2.591 3.099 . 0 0 "[ . 1 . 2]" 1
1093 1 98 TYR HB2 1 99 GLU H 4.900 . 4.900 2.944 2.651 3.537 . 0 0 "[ . 1 . 2]" 1
1094 1 98 TYR HB3 1 99 GLU H 4.900 . 4.900 3.721 3.425 3.921 . 0 0 "[ . 1 . 2]" 1
1095 1 99 GLU H 1 99 GLU QG 4.300 . 4.300 3.364 2.207 3.879 . 0 0 "[ . 1 . 2]" 1
1096 1 99 GLU H 1 100 ASP H 3.800 . 3.800 2.386 2.274 2.525 . 0 0 "[ . 1 . 2]" 1
1097 1 99 GLU H 1 101 ARG H 6.000 . 6.000 4.160 3.804 4.324 . 0 0 "[ . 1 . 2]" 1
1098 1 99 GLU HA 1 103 LYS H 5.900 . 5.900 4.924 4.359 5.149 . 0 0 "[ . 1 . 2]" 1
1099 1 99 GLU QG 1 100 ASP H 5.200 . 5.200 3.574 2.152 4.555 . 0 0 "[ . 1 . 2]" 1
1100 1 100 ASP H 1 100 ASP HA 2.800 . 2.800 2.774 2.727 2.860 0.060 19 0 "[ . 1 . 2]" 1
1101 1 100 ASP H 1 100 ASP HB2 3.400 . 3.400 2.691 2.139 3.467 0.067 14 0 "[ . 1 . 2]" 1
1102 1 100 ASP H 1 100 ASP QB 3.200 . 3.200 2.218 2.089 2.268 . 0 0 "[ . 1 . 2]" 1
1103 1 100 ASP H 1 100 ASP HB3 3.400 . 3.400 2.498 2.108 3.446 0.046 11 0 "[ . 1 . 2]" 1
1104 1 100 ASP H 1 101 ARG H 2.900 . 2.900 2.754 2.406 2.900 . 0 0 "[ . 1 . 2]" 1
1105 1 100 ASP H 1 102 ALA H 6.000 . 6.000 4.296 4.144 4.447 . 0 0 "[ . 1 . 2]" 1
1106 1 100 ASP HA 1 100 ASP HB2 2.900 . 2.900 2.427 2.264 2.931 0.031 11 0 "[ . 1 . 2]" 1
1107 1 100 ASP HA 1 100 ASP QB 2.600 . 2.600 2.307 2.156 2.480 . 0 0 "[ . 1 . 2]" 1
1108 1 100 ASP HA 1 100 ASP HB3 2.900 . 2.900 2.925 2.627 3.017 0.117 12 0 "[ . 1 . 2]" 1
1109 1 100 ASP HA 1 103 LYS H 3.600 . 3.600 3.605 3.566 3.625 0.025 13 0 "[ . 1 . 2]" 1
1110 1 100 ASP QB 1 101 ARG H 4.000 . 4.000 2.710 2.415 3.358 . 0 0 "[ . 1 . 2]" 1
1111 1 100 ASP O 1 103 LYS H 2.500 . 2.500 2.100 1.938 2.430 . 0 0 "[ . 1 . 2]" 1
1112 1 100 ASP O 1 103 LYS N 3.500 . 3.500 2.940 2.813 3.204 . 0 0 "[ . 1 . 2]" 1
1113 1 100 ASP O 1 104 ALA H 2.500 . 2.500 2.501 2.383 2.524 0.024 5 0 "[ . 1 . 2]" 1
1114 1 100 ASP O 1 104 ALA N 3.500 . 3.500 3.350 3.252 3.417 . 0 0 "[ . 1 . 2]" 1
1115 1 101 ARG H 1 101 ARG HA 2.900 . 2.900 2.800 2.779 2.835 . 0 0 "[ . 1 . 2]" 1
1116 1 101 ARG H 1 101 ARG HB2 3.300 . 3.300 2.098 2.072 2.118 . 0 0 "[ . 1 . 2]" 1
1117 1 101 ARG H 1 101 ARG HB3 3.300 . 3.300 3.091 3.053 3.138 . 0 0 "[ . 1 . 2]" 1
1118 1 101 ARG H 1 101 ARG QD 5.700 . 5.700 4.504 4.465 4.549 . 0 0 "[ . 1 . 2]" 1
1119 1 101 ARG H 1 101 ARG HG2 4.200 . 4.200 4.202 4.167 4.231 0.031 19 0 "[ . 1 . 2]" 1
1120 1 101 ARG H 1 101 ARG HG3 4.200 . 4.200 3.865 3.772 3.955 . 0 0 "[ . 1 . 2]" 1
1121 1 101 ARG H 1 102 ALA H 2.800 . 2.800 2.727 2.581 2.804 0.004 18 0 "[ . 1 . 2]" 1
1122 1 101 ARG HA 1 101 ARG HG2 3.700 . 3.700 2.111 2.064 2.153 . 0 0 "[ . 1 . 2]" 1
1123 1 101 ARG HA 1 101 ARG HG3 3.700 . 3.700 2.834 2.766 2.910 . 0 0 "[ . 1 . 2]" 1
1124 1 101 ARG HA 1 104 ALA H 3.300 . 3.300 3.197 3.089 3.303 0.003 11 0 "[ . 1 . 2]" 1
1125 1 101 ARG QB 1 102 ALA H 3.100 . 3.100 2.516 2.391 2.622 . 0 0 "[ . 1 . 2]" 1
1126 1 101 ARG QB 1 104 ALA H 5.700 . 5.700 4.772 4.679 4.901 . 0 0 "[ . 1 . 2]" 1
1127 1 101 ARG HB2 1 101 ARG HD2 3.300 . 3.300 3.112 2.939 3.274 . 0 0 "[ . 1 . 2]" 1
1128 1 101 ARG HB2 1 101 ARG HD3 3.300 . 3.300 3.150 2.994 3.272 . 0 0 "[ . 1 . 2]" 1
1129 1 101 ARG HB2 1 102 ALA H 3.300 . 3.300 3.299 3.201 3.319 0.019 8 0 "[ . 1 . 2]" 1
1130 1 101 ARG HB3 1 101 ARG HD2 3.300 . 3.300 2.931 2.743 3.128 . 0 0 "[ . 1 . 2]" 1
1131 1 101 ARG HB3 1 101 ARG HD3 3.300 . 3.300 2.003 1.930 2.108 . 0 0 "[ . 1 . 2]" 1
1132 1 101 ARG HB3 1 102 ALA H 3.300 . 3.300 2.611 2.468 2.750 . 0 0 "[ . 1 . 2]" 1
1133 1 101 ARG QD 1 102 ALA H 7.900 . 7.900 4.278 4.132 4.457 . 0 0 "[ . 1 . 2]" 1
1134 1 101 ARG HD2 1 101 ARG HG2 3.000 . 3.000 2.943 2.865 2.998 . 0 0 "[ . 1 . 2]" 1
1135 1 101 ARG HD2 1 101 ARG HG3 3.000 . 3.000 2.285 2.234 2.356 . 0 0 "[ . 1 . 2]" 1
1136 1 101 ARG HD3 1 101 ARG HG2 3.000 . 3.000 2.651 2.545 2.743 . 0 0 "[ . 1 . 2]" 1
1137 1 101 ARG HD3 1 101 ARG HG3 3.000 . 3.000 2.962 2.903 3.002 0.002 9 0 "[ . 1 . 2]" 1
1138 1 101 ARG QG 1 103 LYS H 5.600 . 5.600 5.011 4.971 5.057 . 0 0 "[ . 1 . 2]" 1
1139 1 101 ARG QG 1 104 ALA H 5.700 . 5.700 4.466 4.351 4.669 . 0 0 "[ . 1 . 2]" 1
1140 1 101 ARG O 1 105 ALA H 2.000 . 2.000 2.013 1.872 2.041 0.041 15 0 "[ . 1 . 2]" 1
1141 1 101 ARG O 1 105 ALA N 3.000 . 3.000 2.925 2.740 2.978 . 0 0 "[ . 1 . 2]" 1
1142 1 102 ALA H 1 102 ALA MB 3.400 . 3.400 2.070 2.022 2.104 . 0 0 "[ . 1 . 2]" 1
1143 1 102 ALA H 1 103 LYS H 2.800 . 2.800 2.713 2.685 2.741 . 0 0 "[ . 1 . 2]" 1
1144 1 102 ALA HA 1 103 LYS H 3.400 . 3.400 3.409 3.398 3.422 0.022 13 0 "[ . 1 . 2]" 1
1145 1 102 ALA HA 1 105 ALA H 3.400 . 3.400 3.428 3.414 3.436 0.036 5 0 "[ . 1 . 2]" 1
1146 1 102 ALA HA 1 107 ILE QG 4.300 . 4.300 2.125 1.856 2.335 . 0 0 "[ . 1 . 2]" 1
1147 1 102 ALA MB 1 103 LYS H 3.800 . 3.800 3.094 3.032 3.124 . 0 0 "[ . 1 . 2]" 1
1148 1 102 ALA MB 1 105 ALA H 6.000 . 6.000 4.654 4.611 4.673 . 0 0 "[ . 1 . 2]" 1
1149 1 102 ALA MB 1 106 GLY H 7.000 . 7.000 4.138 4.084 4.236 . 0 0 "[ . 1 . 2]" 1
1150 1 102 ALA O 1 106 GLY H 2.000 . 2.000 2.003 1.923 2.024 0.024 11 0 "[ . 1 . 2]" 1
1151 1 102 ALA O 1 106 GLY N 3.000 . 3.000 2.818 2.795 2.874 . 0 0 "[ . 1 . 2]" 1
1152 1 103 LYS H 1 103 LYS QB 3.300 . 3.300 2.240 2.097 2.378 . 0 0 "[ . 1 . 2]" 1
1153 1 103 LYS H 1 103 LYS QD 5.300 . 5.300 4.467 4.283 4.692 . 0 0 "[ . 1 . 2]" 1
1154 1 103 LYS H 1 103 LYS QG 4.500 . 4.500 3.717 2.717 4.013 . 0 0 "[ . 1 . 2]" 1
1155 1 103 LYS H 1 104 ALA H 2.800 . 2.800 2.335 2.243 2.476 . 0 0 "[ . 1 . 2]" 1
1156 1 103 LYS HA 1 103 LYS QD 4.200 . 4.200 3.408 2.661 3.745 . 0 0 "[ . 1 . 2]" 1
1157 1 103 LYS HA 1 104 ALA H 3.600 . 3.600 3.516 3.488 3.549 . 0 0 "[ . 1 . 2]" 1
1158 1 103 LYS HA 1 105 ALA H 5.000 . 5.000 4.228 4.112 4.315 . 0 0 "[ . 1 . 2]" 1
1159 1 103 LYS HA 1 106 GLY H 3.500 . 3.500 3.523 3.514 3.539 0.039 19 0 "[ . 1 . 2]" 1
1160 1 104 ALA H 1 104 ALA HA 2.900 . 2.900 2.859 2.831 2.876 . 0 0 "[ . 1 . 2]" 1
1161 1 104 ALA H 1 104 ALA MB 3.400 . 3.400 2.248 2.204 2.259 . 0 0 "[ . 1 . 2]" 1
1162 1 104 ALA H 1 105 ALA H 2.800 . 2.800 2.467 2.424 2.540 . 0 0 "[ . 1 . 2]" 1
1163 1 104 ALA HA 1 105 ALA H 3.500 . 3.500 3.495 3.466 3.509 0.009 8 0 "[ . 1 . 2]" 1
1164 1 104 ALA MB 1 105 ALA H 3.800 . 3.800 2.748 2.671 2.882 . 0 0 "[ . 1 . 2]" 1
1165 1 105 ALA H 1 105 ALA HA 2.800 . 2.800 2.887 2.855 2.904 0.104 5 0 "[ . 1 . 2]" 1
1166 1 105 ALA H 1 105 ALA MB 3.400 . 3.400 2.241 2.096 2.308 . 0 0 "[ . 1 . 2]" 1
1167 1 105 ALA H 1 106 GLY H 2.700 . 2.700 2.356 2.246 2.506 . 0 0 "[ . 1 . 2]" 1
1168 1 105 ALA H 1 107 ILE H 4.700 . 4.700 4.401 4.263 4.685 . 0 0 "[ . 1 . 2]" 1
1169 1 105 ALA H 1 107 ILE QG 7.000 . 7.000 3.985 3.867 4.221 . 0 0 "[ . 1 . 2]" 1
1170 1 106 GLY H 1 106 GLY HA2 2.900 . 2.900 2.473 2.441 2.581 . 0 0 "[ . 1 . 2]" 1
1171 1 106 GLY H 1 106 GLY HA3 2.900 . 2.900 2.947 2.939 2.953 0.053 16 0 "[ . 1 . 2]" 1
1172 1 106 GLY H 1 107 ILE H 2.600 . 2.600 2.624 2.608 2.635 0.035 16 0 "[ . 1 . 2]" 1
1173 1 106 GLY H 1 107 ILE QG 7.000 . 7.000 3.188 3.075 3.314 . 0 0 "[ . 1 . 2]" 1
1174 1 106 GLY QA 1 107 ILE H 3.200 . 3.200 2.763 2.695 2.814 . 0 0 "[ . 1 . 2]" 1
1175 1 107 ILE H 1 107 ILE HA 2.800 . 2.800 2.784 2.772 2.801 0.001 14 0 "[ . 1 . 2]" 1
1176 1 107 ILE H 1 107 ILE HB 2.800 . 2.800 2.653 2.562 2.737 . 0 0 "[ . 1 . 2]" 1
1177 1 107 ILE H 1 107 ILE MD 4.900 . 4.900 4.106 4.045 4.135 . 0 0 "[ . 1 . 2]" 1
1178 1 107 ILE H 1 108 VAL H 4.800 . 4.800 4.357 4.188 4.626 . 0 0 "[ . 1 . 2]" 1
1179 1 107 ILE HA 1 107 ILE HB 2.800 . 2.800 2.381 2.346 2.416 . 0 0 "[ . 1 . 2]" 1
1180 1 107 ILE HA 1 107 ILE MD 3.400 . 3.400 2.112 1.964 2.400 . 0 0 "[ . 1 . 2]" 1
1181 1 107 ILE HA 1 108 VAL H 2.400 . 2.400 2.192 2.152 2.235 . 0 0 "[ . 1 . 2]" 1
1182 1 107 ILE HB 1 107 ILE MD 3.400 . 3.400 2.339 2.169 2.416 . 0 0 "[ . 1 . 2]" 1
1183 1 107 ILE MD 1 108 VAL H 3.400 . 3.400 2.775 2.023 2.861 . 0 0 "[ . 1 . 2]" 1
1184 1 107 ILE MD 1 109 ILE H 6.300 . 6.300 5.032 4.780 5.250 . 0 0 "[ . 1 . 2]" 1
1185 1 107 ILE MD 1 109 ILE HA 5.800 . 5.800 4.566 4.270 4.853 . 0 0 "[ . 1 . 2]" 1
1186 1 107 ILE QG 1 108 VAL H 7.000 . 7.000 3.284 2.558 3.594 . 0 0 "[ . 1 . 2]" 1
1187 1 108 VAL H 1 108 VAL HA 2.800 . 2.800 2.905 2.850 2.925 0.125 10 0 "[ . 1 . 2]" 1
1188 1 108 VAL H 1 108 VAL HB 3.300 . 3.300 2.908 2.763 3.323 0.023 3 0 "[ . 1 . 2]" 1
1189 1 108 VAL H 1 108 VAL QG . . 3.900 2.695 2.544 2.906 . 0 0 "[ . 1 . 2]" 1
1190 1 108 VAL HA 1 109 ILE H 2.400 . 2.400 2.358 2.206 2.416 0.016 10 0 "[ . 1 . 2]" 1
1191 1 108 VAL HB 1 109 ILE H 3.900 . 3.900 3.542 3.294 3.911 0.011 13 0 "[ . 1 . 2]" 1
1192 1 108 VAL QG 1 109 ILE H 5.700 . 5.700 1.925 1.870 2.216 . 0 0 "[ . 1 . 2]" 1
1193 1 109 ILE H 1 109 ILE HA 2.800 . 2.800 2.751 2.702 2.807 0.007 14 0 "[ . 1 . 2]" 1
1194 1 109 ILE H 1 109 ILE MD 4.900 . 4.900 3.649 3.488 3.823 . 0 0 "[ . 1 . 2]" 1
1195 1 109 ILE H 1 109 ILE QG 3.400 . 3.400 2.539 2.352 2.619 . 0 0 "[ . 1 . 2]" 1
1196 1 109 ILE HA 1 109 ILE MD 3.800 . 3.800 2.167 1.859 2.732 . 0 0 "[ . 1 . 2]" 1
1197 1 109 ILE HA 1 110 PRO HD2 3.600 . 3.600 2.372 1.926 2.979 . 0 0 "[ . 1 . 2]" 1
1198 1 109 ILE HA 1 110 PRO HD3 3.600 . 3.600 2.064 1.718 2.452 0.082 3 0 "[ . 1 . 2]" 1
1199 1 109 ILE HB 1 109 ILE MD 3.400 . 3.400 2.229 2.019 2.382 . 0 0 "[ . 1 . 2]" 1
1200 1 109 ILE MD 1 110 PRO HD2 4.400 . 4.400 2.346 1.827 3.491 . 0 0 "[ . 1 . 2]" 1
1201 1 109 ILE MD 1 110 PRO HD3 4.400 . 4.400 3.083 1.916 3.666 . 0 0 "[ . 1 . 2]" 1
1202 1 109 ILE QG 1 110 PRO HA 6.000 . 6.000 3.892 3.750 3.983 . 0 0 "[ . 1 . 2]" 1
1203 1 109 ILE QG 1 110 PRO QD 5.500 . 5.500 2.155 1.798 2.936 0.002 13 0 "[ . 1 . 2]" 1
1204 1 109 ILE O 1 111 GLU H 2.000 . 2.000 1.879 1.774 2.057 0.057 7 0 "[ . 1 . 2]" 1
1205 1 109 ILE O 1 111 GLU N 3.000 . 3.000 2.709 2.516 2.899 . 0 0 "[ . 1 . 2]" 1
1206 1 110 PRO O 1 112 GLU H 2.000 . 2.000 2.009 1.997 2.027 0.027 2 0 "[ . 1 . 2]" 1
1207 1 110 PRO O 1 112 GLU N 3.000 . 3.000 2.810 2.719 2.882 . 0 0 "[ . 1 . 2]" 1
1208 1 111 GLU H 1 111 GLU HB2 3.500 . 3.500 2.975 2.211 3.570 0.070 7 0 "[ . 1 . 2]" 1
1209 1 111 GLU H 1 111 GLU HB3 3.500 . 3.500 3.246 2.819 3.564 0.064 3 0 "[ . 1 . 2]" 1
1210 1 111 GLU H 1 111 GLU QG 4.100 . 4.100 2.225 1.823 2.932 . 0 0 "[ . 1 . 2]" 1
1211 1 111 GLU H 1 112 GLU H 4.200 . 4.200 3.682 3.503 3.877 . 0 0 "[ . 1 . 2]" 1
1212 1 111 GLU HA 1 112 GLU H 2.800 . 2.800 2.445 2.340 2.565 . 0 0 "[ . 1 . 2]" 1
1213 1 111 GLU HB2 1 112 GLU H 4.500 . 4.500 4.260 4.093 4.478 . 0 0 "[ . 1 . 2]" 1
1214 1 111 GLU HB3 1 112 GLU H 4.500 . 4.500 4.389 4.251 4.550 0.050 7 0 "[ . 1 . 2]" 1
1215 1 111 GLU QG 1 112 GLU H 7.000 . 7.000 4.478 4.315 4.718 . 0 0 "[ . 1 . 2]" 1
1216 1 112 GLU H 1 112 GLU HA 2.800 . 2.800 2.708 2.268 2.872 0.072 10 0 "[ . 1 . 2]" 1
1217 1 112 GLU H 1 112 GLU HB2 3.300 . 3.300 2.808 2.068 3.371 0.071 10 0 "[ . 1 . 2]" 1
1218 1 112 GLU H 1 112 GLU HB3 3.300 . 3.300 3.261 3.151 3.344 0.044 10 0 "[ . 1 . 2]" 1
1219 1 112 GLU HA 1 112 GLU HB2 2.900 . 2.900 2.658 2.347 2.791 . 0 0 "[ . 1 . 2]" 1
1220 1 112 GLU HA 1 112 GLU HB3 2.900 . 2.900 2.755 2.205 2.993 0.093 4 0 "[ . 1 . 2]" 1
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