NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632253 |
6gdk   |
34262 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6gdk
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 1098
_Distance_constraint_stats_list.Viol_count 1385
_Distance_constraint_stats_list.Viol_total 1696.682
_Distance_constraint_stats_list.Viol_max 0.708
_Distance_constraint_stats_list.Viol_rms 0.0215
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0613
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLN 0.326 0.086 8 0 "[ . 1 . 2]"
1 4 LEU 1.699 0.492 20 0 "[ . 1 . 2]"
1 5 THR 0.394 0.104 7 0 "[ . 1 . 2]"
1 6 GLU 0.301 0.061 3 0 "[ . 1 . 2]"
1 7 GLU 0.483 0.175 3 0 "[ . 1 . 2]"
1 8 GLN 0.010 0.010 3 0 "[ . 1 . 2]"
1 9 ILE 0.757 0.172 5 0 "[ . 1 . 2]"
1 10 ALA 1.021 0.175 3 0 "[ . 1 . 2]"
1 11 GLU 0.718 0.139 13 0 "[ . 1 . 2]"
1 12 PHE 3.058 0.492 20 0 "[ . 1 . 2]"
1 13 LYS 0.664 0.100 8 0 "[ . 1 . 2]"
1 14 GLU 0.039 0.025 17 0 "[ . 1 . 2]"
1 15 ALA 0.327 0.050 20 0 "[ . 1 . 2]"
1 16 PHE 1.073 0.141 11 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 1.235 0.708 15 1 "[ . 1 + 2]"
1 19 PHE 2.129 0.708 15 1 "[ . 1 + 2]"
1 20 ASP 1.622 0.262 9 0 "[ . 1 . 2]"
1 21 LYS 0.996 0.143 16 0 "[ . 1 . 2]"
1 22 ASP 0.121 0.117 8 0 "[ . 1 . 2]"
1 23 GLY 0.004 0.004 11 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 THR 0.590 0.259 3 0 "[ . 1 . 2]"
1 27 ILE 2.518 0.262 9 0 "[ . 1 . 2]"
1 28 THR 0.003 0.003 1 0 "[ . 1 . 2]"
1 29 THR 1.335 0.114 1 0 "[ . 1 . 2]"
1 30 LYS 2.794 0.240 8 0 "[ . 1 . 2]"
1 31 GLU 0.999 0.178 2 0 "[ . 1 . 2]"
1 32 LEU 0.991 0.321 2 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 THR 0.915 0.197 6 0 "[ . 1 . 2]"
1 35 VAL 1.060 0.197 6 0 "[ . 1 . 2]"
1 36 MET 0.173 0.051 15 0 "[ . 1 . 2]"
1 37 ARG 2.311 0.185 10 0 "[ . 1 . 2]"
1 38 SER 0.073 0.038 1 0 "[ . 1 . 2]"
1 39 LEU 0.658 0.339 19 0 "[ . 1 . 2]"
1 40 GLY 0.678 0.129 1 0 "[ . 1 . 2]"
1 41 GLN 0.679 0.149 10 0 "[ . 1 . 2]"
1 42 ASN 1.263 0.128 7 0 "[ . 1 . 2]"
1 43 PRO 0.414 0.074 3 0 "[ . 1 . 2]"
1 44 THR 0.406 0.123 3 0 "[ . 1 . 2]"
1 45 GLU 0.030 0.030 9 0 "[ . 1 . 2]"
1 46 ALA 1.034 0.133 1 0 "[ . 1 . 2]"
1 47 GLU 1.784 0.256 2 0 "[ . 1 . 2]"
1 48 LEU 3.271 0.240 8 0 "[ . 1 . 2]"
1 49 GLN 0.175 0.052 15 0 "[ . 1 . 2]"
1 50 ASP 0.613 0.106 16 0 "[ . 1 . 2]"
1 51 MET 0.583 0.100 15 0 "[ . 1 . 2]"
1 52 ILE 1.531 0.114 1 0 "[ . 1 . 2]"
1 53 ASN 1.973 0.171 15 0 "[ . 1 . 2]"
1 54 GLU 2.185 0.313 4 0 "[ . 1 . 2]"
1 55 VAL 2.997 0.446 11 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.089 0.059 8 0 "[ . 1 . 2]"
1 58 ASP 1.040 0.144 9 0 "[ . 1 . 2]"
1 59 GLY 0.951 0.144 9 0 "[ . 1 . 2]"
1 60 ASN 0.200 0.055 1 0 "[ . 1 . 2]"
1 61 GLY 0.023 0.023 16 0 "[ . 1 . 2]"
1 62 THR 0.199 0.067 1 0 "[ . 1 . 2]"
1 63 ILE 0.568 0.120 15 0 "[ . 1 . 2]"
1 64 ASP 1.335 0.127 4 0 "[ . 1 . 2]"
1 65 PHE 4.355 0.334 2 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 3.567 0.446 11 0 "[ . 1 . 2]"
1 68 PHE 1.080 0.222 12 0 "[ . 1 . 2]"
1 69 LEU 3.870 0.334 2 0 "[ . 1 . 2]"
1 70 THR 0.070 0.062 10 0 "[ . 1 . 2]"
1 71 MET 0.534 0.090 20 0 "[ . 1 . 2]"
1 72 MET 0.748 0.123 1 0 "[ . 1 . 2]"
1 73 ALA 0.275 0.113 11 0 "[ . 1 . 2]"
1 74 ARG 0.582 0.261 15 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 MET 2.283 0.497 10 0 "[ . 1 . 2]"
1 77 LYS 0.919 0.497 10 0 "[ . 1 . 2]"
1 78 ASP 0.176 0.137 3 0 "[ . 1 . 2]"
1 79 THR 0.524 0.128 3 0 "[ . 1 . 2]"
1 80 ASP 1.232 0.136 10 0 "[ . 1 . 2]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.116 0.116 14 0 "[ . 1 . 2]"
1 83 GLU 0.125 0.121 11 0 "[ . 1 . 2]"
1 84 GLU 0.066 0.064 15 0 "[ . 1 . 2]"
1 85 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ARG 1.699 0.296 14 0 "[ . 1 . 2]"
1 87 GLU 0.143 0.109 2 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 2.842 0.246 19 0 "[ . 1 . 2]"
1 90 ARG 1.074 0.175 11 0 "[ . 1 . 2]"
1 91 VAL 0.067 0.057 5 0 "[ . 1 . 2]"
1 92 PHE 1.847 0.170 16 0 "[ . 1 . 2]"
1 93 ASP 0.057 0.057 5 0 "[ . 1 . 2]"
1 94 LYS 1.542 0.409 14 0 "[ . 1 . 2]"
1 95 ASP 0.101 0.049 14 0 "[ . 1 . 2]"
1 96 GLY 0.031 0.012 17 0 "[ . 1 . 2]"
1 97 ASN 0.044 0.032 5 0 "[ . 1 . 2]"
1 98 GLY 0.091 0.045 17 0 "[ . 1 . 2]"
1 99 TYR 7.382 0.201 20 0 "[ . 1 . 2]"
1 100 ILE 2.288 0.197 19 0 "[ . 1 . 2]"
1 101 SER 1.120 0.068 14 0 "[ . 1 . 2]"
1 102 ALA 2.704 0.216 5 0 "[ . 1 . 2]"
1 103 ALA 1.193 0.068 14 0 "[ . 1 . 2]"
1 104 GLU 0.611 0.195 3 0 "[ . 1 . 2]"
1 105 LEU 0.127 0.046 6 0 "[ . 1 . 2]"
1 106 ARG 2.224 0.305 12 0 "[ . 1 . 2]"
1 107 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 VAL 1.945 0.170 16 0 "[ . 1 . 2]"
1 109 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 THR 0.219 0.041 3 0 "[ . 1 . 2]"
1 111 ASN 0.098 0.066 6 0 "[ . 1 . 2]"
1 112 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 GLU 0.698 0.084 8 0 "[ . 1 . 2]"
1 115 LYS 0.929 0.185 11 0 "[ . 1 . 2]"
1 116 LEU 0.065 0.035 3 0 "[ . 1 . 2]"
1 117 THR 1.591 0.102 15 0 "[ . 1 . 2]"
1 118 ASP 1.570 0.116 20 0 "[ . 1 . 2]"
1 119 GLU 0.294 0.074 10 0 "[ . 1 . 2]"
1 120 GLU 0.883 0.102 15 0 "[ . 1 . 2]"
1 121 VAL 3.376 0.305 12 0 "[ . 1 . 2]"
1 122 ASP 0.080 0.055 4 0 "[ . 1 . 2]"
1 123 GLU 0.488 0.065 17 0 "[ . 1 . 2]"
1 124 MET 0.789 0.164 9 0 "[ . 1 . 2]"
1 125 ILE 0.751 0.104 15 0 "[ . 1 . 2]"
1 126 ARG 0.983 0.146 1 0 "[ . 1 . 2]"
1 127 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ALA 1.789 0.233 18 0 "[ . 1 . 2]"
1 129 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ILE 1.508 0.255 13 0 "[ . 1 . 2]"
1 131 ASP 0.311 0.082 13 0 "[ . 1 . 2]"
1 132 GLY 0.239 0.052 13 0 "[ . 1 . 2]"
1 133 ASP 0.386 0.052 13 0 "[ . 1 . 2]"
1 134 GLY 0.147 0.038 19 0 "[ . 1 . 2]"
1 135 GLN 3.688 0.201 20 0 "[ . 1 . 2]"
1 136 VAL 0.934 0.214 9 0 "[ . 1 . 2]"
1 137 ASN 2.543 0.140 1 0 "[ . 1 . 2]"
1 138 TYR 3.554 0.296 14 0 "[ . 1 . 2]"
1 139 GLU 0.140 0.052 5 0 "[ . 1 . 2]"
1 140 GLU 0.013 0.013 20 0 "[ . 1 . 2]"
1 141 LEU 4.606 0.262 8 0 "[ . 1 . 2]"
1 142 VAL 1.825 0.316 5 0 "[ . 1 . 2]"
1 143 GLN 1.364 0.255 13 0 "[ . 1 . 2]"
1 144 MET 1.688 0.262 8 0 "[ . 1 . 2]"
1 145 MET 0.733 0.203 11 0 "[ . 1 . 2]"
1 146 THR 1.284 0.316 5 0 "[ . 1 . 2]"
1 147 ALA 0.343 0.235 5 0 "[ . 1 . 2]"
1 148 LYS 0.765 0.272 18 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 1 128 ALA MB 1 141 LEU HA 3.030 . 3.230 3.199 2.733 3.463 0.233 18 0 "[ . 1 . 2]" 1
2 1 125 ILE HA 1 128 ALA MB 3.180 . 3.380 2.956 2.494 3.368 . 0 0 "[ . 1 . 2]" 1
3 1 128 ALA MB 1 144 MET HG3 2.700 . 2.900 2.147 1.980 2.427 . 0 0 "[ . 1 . 2]" 1
4 1 128 ALA MB 1 144 MET HG2 2.700 . 2.900 2.528 2.140 2.977 0.077 15 0 "[ . 1 . 2]" 1
5 1 125 ILE MG 1 126 ARG HA 3.150 . 3.350 3.384 3.278 3.454 0.104 15 0 "[ . 1 . 2]" 1
6 1 108 VAL HA 1 111 ASN QB 3.060 . 3.260 2.935 2.598 3.326 0.066 6 0 "[ . 1 . 2]" 1
7 1 104 GLU HA 1 107 HIS QB 3.650 . 3.850 3.337 2.966 3.848 . 0 0 "[ . 1 . 2]" 1
8 1 102 ALA MB 1 121 VAL MG2 3.020 . 3.220 3.202 2.474 3.436 0.216 5 0 "[ . 1 . 2]" 1
9 1 102 ALA MB 1 121 VAL MG1 2.720 . 2.920 2.730 2.544 2.965 0.045 8 0 "[ . 1 . 2]" 1
10 1 102 ALA HA 1 121 VAL MG1 3.150 . 3.350 2.027 1.940 2.197 . 0 0 "[ . 1 . 2]" 1
11 1 91 VAL HA 1 91 VAL MG2 2.400 . 2.600 2.347 2.299 2.454 . 0 0 "[ . 1 . 2]" 1
12 1 91 VAL H 1 91 VAL MG2 3.930 . 4.130 2.413 2.031 2.536 . 0 0 "[ . 1 . 2]" 1
13 1 103 ALA HA 1 106 ARG QB 2.930 . 3.130 2.583 2.276 3.187 0.057 3 0 "[ . 1 . 2]" 1
14 1 106 ARG QB 1 106 ARG HG3 2.400 . 2.600 2.152 2.134 2.203 . 0 0 "[ . 1 . 2]" 1
15 1 106 ARG HA 1 106 ARG QB 2.510 . 2.710 2.438 2.395 2.489 . 0 0 "[ . 1 . 2]" 1
16 1 106 ARG QB 1 106 ARG HG2 2.400 . 2.600 2.485 2.404 2.538 . 0 0 "[ . 1 . 2]" 1
17 1 129 ASP HA 1 129 ASP HB2 2.920 . 3.120 2.567 2.529 2.633 . 0 0 "[ . 1 . 2]" 1
18 1 143 GLN HA 1 143 GLN QB 2.460 . 2.660 2.362 2.316 2.400 . 0 0 "[ . 1 . 2]" 1
19 1 131 ASP HA 1 131 ASP HB3 2.480 . 2.680 2.492 2.300 2.701 0.021 13 0 "[ . 1 . 2]" 1
20 1 131 ASP HA 1 131 ASP HB2 2.480 . 2.680 2.373 2.226 2.592 . 0 0 "[ . 1 . 2]" 1
21 1 131 ASP H 1 131 ASP HA 2.800 . 3.000 2.904 2.863 2.942 . 0 0 "[ . 1 . 2]" 1
22 1 106 ARG HA 1 106 ARG HD3 2.960 . 3.160 3.080 1.844 3.307 0.147 14 0 "[ . 1 . 2]" 1
23 1 137 ASN HA 1 138 TYR H 2.890 . 3.090 2.752 2.637 2.824 . 0 0 "[ . 1 . 2]" 1
24 1 99 TYR QD 1 137 ASN HA 2.700 . 2.900 2.170 1.982 2.325 . 0 0 "[ . 1 . 2]" 1
25 1 110 THR HA 1 110 THR MG 2.830 . 3.030 2.362 2.309 2.411 . 0 0 "[ . 1 . 2]" 1
26 1 94 LYS HD2 1 94 LYS QG 2.400 . 2.600 2.291 2.125 2.552 . 0 0 "[ . 1 . 2]" 1
27 1 94 LYS QE 1 94 LYS QG 2.400 . 2.600 2.343 2.102 2.764 0.164 3 0 "[ . 1 . 2]" 1
28 1 94 LYS HD3 1 94 LYS QG 2.400 . 2.600 2.325 2.144 2.565 . 0 0 "[ . 1 . 2]" 1
29 1 141 LEU H 1 141 LEU HB2 3.220 . 3.420 2.381 2.058 2.597 . 0 0 "[ . 1 . 2]" 1
30 1 93 ASP H 1 93 ASP HB3 3.200 . 3.400 2.753 2.476 3.292 . 0 0 "[ . 1 . 2]" 1
31 1 95 ASP HA 1 95 ASP HB2 2.550 . 2.750 2.452 2.336 2.566 . 0 0 "[ . 1 . 2]" 1
32 1 122 ASP H 1 122 ASP HB2 2.690 . 2.890 2.411 2.193 2.614 . 0 0 "[ . 1 . 2]" 1
33 1 139 GLU H 1 139 GLU HB2 3.600 . 3.800 2.497 2.412 2.568 . 0 0 "[ . 1 . 2]" 1
34 1 99 TYR H 1 99 TYR HB2 3.840 . 4.040 2.782 2.705 2.874 . 0 0 "[ . 1 . 2]" 1
35 1 130 ILE HG12 1 130 ILE MG 3.030 . 3.230 2.302 2.134 2.419 . 0 0 "[ . 1 . 2]" 1
36 1 90 ARG QB 1 90 ARG HG3 2.400 . 2.600 2.306 2.166 2.481 . 0 0 "[ . 1 . 2]" 1
37 1 90 ARG QB 1 90 ARG HG2 2.400 . 2.600 2.358 2.139 2.489 . 0 0 "[ . 1 . 2]" 1
38 1 90 ARG HA 1 90 ARG QB 2.430 . 2.630 2.236 2.133 2.437 . 0 0 "[ . 1 . 2]" 1
39 1 86 ARG QD 1 86 ARG HG3 2.400 . 2.600 2.373 2.273 2.540 . 0 0 "[ . 1 . 2]" 1
40 1 95 ASP HA 1 95 ASP HB3 2.550 . 2.750 2.418 2.325 2.547 . 0 0 "[ . 1 . 2]" 1
41 1 99 TYR HA 1 137 ASN HA 3.670 . 3.870 2.822 2.607 3.164 . 0 0 "[ . 1 . 2]" 1
42 1 99 TYR HA 1 99 TYR QE 5.130 . 5.330 4.505 4.370 4.594 . 0 0 "[ . 1 . 2]" 1
43 1 99 TYR HA 1 99 TYR QD 2.530 . 2.730 2.230 2.039 2.372 . 0 0 "[ . 1 . 2]" 1
44 1 99 TYR HA 1 100 ILE MD 2.990 . 3.190 3.124 2.533 3.387 0.197 19 0 "[ . 1 . 2]" 1
45 1 106 ARG HA 1 106 ARG HD2 2.960 . 3.160 2.848 2.086 3.259 0.099 6 0 "[ . 1 . 2]" 1
46 1 88 ALA H 1 88 ALA MB 2.400 . 2.600 2.233 2.204 2.249 . 0 0 "[ . 1 . 2]" 1
47 1 91 VAL HA 1 91 VAL MG1 2.400 . 2.600 2.516 2.355 2.606 0.006 12 0 "[ . 1 . 2]" 1
48 1 123 GLU HA 1 123 GLU HG2 2.810 . 3.010 2.514 2.399 2.734 . 0 0 "[ . 1 . 2]" 1
49 1 116 LEU HB2 1 116 LEU MD1 3.270 . 3.470 2.847 2.328 3.242 . 0 0 "[ . 1 . 2]" 1
50 1 116 LEU HB3 1 116 LEU MD1 3.270 . 3.470 2.717 2.283 3.275 . 0 0 "[ . 1 . 2]" 1
51 1 90 ARG H 1 90 ARG HG2 3.660 . 3.860 2.736 2.122 3.866 0.006 17 0 "[ . 1 . 2]" 1
52 1 107 HIS HA 1 107 HIS QB 2.660 . 2.860 2.427 2.357 2.551 . 0 0 "[ . 1 . 2]" 1
53 1 107 HIS H 1 107 HIS QB 2.690 . 2.890 2.299 2.001 2.508 . 0 0 "[ . 1 . 2]" 1
54 1 146 THR HA 1 146 THR HB 2.400 . 2.600 2.538 2.428 2.594 . 0 0 "[ . 1 . 2]" 1
55 1 126 ARG QB 1 126 ARG HG3 2.400 . 2.600 2.365 2.163 2.495 . 0 0 "[ . 1 . 2]" 1
56 1 126 ARG H 1 126 ARG QB 2.600 . 2.800 2.324 2.094 2.609 . 0 0 "[ . 1 . 2]" 1
57 1 126 ARG QB 1 126 ARG HG2 2.400 . 2.600 2.291 2.136 2.490 . 0 0 "[ . 1 . 2]" 1
58 1 116 LEU HB2 1 116 LEU MD2 3.270 . 3.470 2.466 2.140 3.242 . 0 0 "[ . 1 . 2]" 1
59 1 147 ALA H 1 147 ALA MB 2.400 . 2.600 2.238 2.176 2.343 . 0 0 "[ . 1 . 2]" 1
60 1 130 ILE HB 1 130 ILE HG12 2.990 . 3.190 2.991 2.552 3.049 . 0 0 "[ . 1 . 2]" 1
61 1 130 ILE H 1 130 ILE HB 3.220 . 3.420 2.474 2.348 2.554 . 0 0 "[ . 1 . 2]" 1
62 1 130 ILE HB 1 130 ILE MD 2.570 . 2.770 2.355 2.201 2.468 . 0 0 "[ . 1 . 2]" 1
63 1 121 VAL HA 1 121 VAL MG2 2.540 . 2.740 2.443 2.366 2.632 . 0 0 "[ . 1 . 2]" 1
64 1 121 VAL HA 1 121 VAL MG1 2.540 . 2.740 2.344 2.236 2.433 . 0 0 "[ . 1 . 2]" 1
65 1 136 VAL HA 1 136 VAL MG2 2.950 . 3.150 2.409 2.377 2.439 . 0 0 "[ . 1 . 2]" 1
66 1 118 ASP H 1 118 ASP HA 2.760 . 2.960 2.863 2.826 2.909 . 0 0 "[ . 1 . 2]" 1
67 1 118 ASP HA 1 118 ASP HB3 2.970 . 3.170 2.856 2.547 3.055 . 0 0 "[ . 1 . 2]" 1
68 1 118 ASP HA 1 121 VAL H 4.150 . 4.350 3.586 3.384 3.790 . 0 0 "[ . 1 . 2]" 1
69 1 125 ILE HG12 1 125 ILE MG 3.150 . 3.350 2.363 2.323 2.410 . 0 0 "[ . 1 . 2]" 1
70 1 125 ILE HA 1 125 ILE MG 2.700 . 2.900 2.510 2.456 2.574 . 0 0 "[ . 1 . 2]" 1
71 1 87 GLU HA 1 87 GLU QG 3.670 . 3.870 2.770 2.274 3.423 . 0 0 "[ . 1 . 2]" 1
72 1 140 GLU HA 1 140 GLU QG 3.060 . 3.260 2.396 2.328 2.479 . 0 0 "[ . 1 . 2]" 1
73 1 144 MET HA 1 144 MET HG2 2.920 . 3.120 2.662 2.500 2.900 . 0 0 "[ . 1 . 2]" 1
74 1 141 LEU H 1 141 LEU HB3 3.220 . 3.420 2.649 2.405 3.087 . 0 0 "[ . 1 . 2]" 1
75 1 142 VAL HA 1 142 VAL MG1 2.480 . 2.680 2.439 2.380 2.550 . 0 0 "[ . 1 . 2]" 1
76 1 100 ILE HA 1 101 SER H 2.480 . 2.680 2.238 2.150 2.380 . 0 0 "[ . 1 . 2]" 1
77 1 100 ILE HA 1 100 ILE MG 3.180 . 3.380 2.510 2.422 2.868 . 0 0 "[ . 1 . 2]" 1
78 1 138 TYR H 1 138 TYR HB2 3.330 . 3.530 2.498 2.352 2.636 . 0 0 "[ . 1 . 2]" 1
79 1 137 ASN HA 1 137 ASN HB2 2.990 . 3.190 2.352 2.289 2.433 . 0 0 "[ . 1 . 2]" 1
80 1 137 ASN HB2 1 138 TYR H 3.620 . 3.820 2.306 2.192 2.492 . 0 0 "[ . 1 . 2]" 1
81 1 99 TYR QD 1 137 ASN HB2 2.950 . 3.150 3.187 2.869 3.290 0.140 1 0 "[ . 1 . 2]" 1
82 1 146 THR HA 1 146 THR MG 3.270 . 3.470 3.230 3.204 3.249 . 0 0 "[ . 1 . 2]" 1
83 1 116 LEU HB3 1 116 LEU MD2 3.270 . 3.470 2.805 2.213 3.261 . 0 0 "[ . 1 . 2]" 1
84 1 90 ARG QD 1 90 ARG HG3 2.520 . 2.720 2.328 2.172 2.414 . 0 0 "[ . 1 . 2]" 1
85 1 90 ARG QD 1 90 ARG HG2 2.520 . 2.720 2.268 2.163 2.427 . 0 0 "[ . 1 . 2]" 1
86 1 100 ILE QG 1 100 ILE MG 2.480 . 2.680 2.057 2.039 2.099 . 0 0 "[ . 1 . 2]" 1
87 1 105 LEU H 1 105 LEU HB2 3.170 . 3.370 2.284 2.054 2.492 . 0 0 "[ . 1 . 2]" 1
88 1 139 GLU HA 1 139 GLU HG2 3.270 . 3.470 2.554 2.359 2.707 . 0 0 "[ . 1 . 2]" 1
89 1 139 GLU H 1 139 GLU HG2 3.330 . 3.530 3.340 3.042 3.564 0.034 5 0 "[ . 1 . 2]" 1
90 1 129 ASP HA 1 129 ASP HB3 2.920 . 3.120 3.023 2.999 3.035 . 0 0 "[ . 1 . 2]" 1
91 1 104 GLU H 1 104 GLU HB3 3.110 . 3.310 2.617 1.988 3.494 0.184 11 0 "[ . 1 . 2]" 1
92 1 97 ASN HA 1 97 ASN HB3 2.930 . 3.130 2.473 2.332 2.540 . 0 0 "[ . 1 . 2]" 1
93 1 127 GLU QB 1 127 GLU HG2 2.460 . 2.660 2.319 2.150 2.484 . 0 0 "[ . 1 . 2]" 1
94 1 127 GLU QB 1 127 GLU HG3 2.460 . 2.660 2.331 2.135 2.482 . 0 0 "[ . 1 . 2]" 1
95 1 111 ASN HA 1 111 ASN QB 2.510 . 2.710 2.399 2.341 2.483 . 0 0 "[ . 1 . 2]" 1
96 1 111 ASN H 1 111 ASN QB 3.070 . 3.270 2.263 2.131 2.418 . 0 0 "[ . 1 . 2]" 1
97 1 122 ASP H 1 122 ASP HA 2.780 . 2.980 2.820 2.793 2.841 . 0 0 "[ . 1 . 2]" 1
98 1 139 GLU HA 1 139 GLU HG3 3.270 . 3.470 3.124 2.881 3.428 . 0 0 "[ . 1 . 2]" 1
99 1 126 ARG HA 1 126 ARG QB 2.400 . 2.600 2.423 2.159 2.526 . 0 0 "[ . 1 . 2]" 1
100 1 119 GLU HA 1 122 ASP H 3.370 . 3.570 3.142 2.930 3.503 . 0 0 "[ . 1 . 2]" 1
101 1 130 ILE HB 1 130 ILE HG13 2.990 . 3.190 2.628 2.483 3.046 . 0 0 "[ . 1 . 2]" 1
102 1 130 ILE HG13 1 130 ILE MG 3.030 . 3.230 3.154 2.390 3.246 0.016 17 0 "[ . 1 . 2]" 1
103 1 124 MET H 1 124 MET HG2 2.910 . 3.110 3.041 1.884 3.187 0.077 15 0 "[ . 1 . 2]" 1
104 1 94 LYS QB 1 94 LYS QE 2.720 . 2.920 2.421 2.157 3.329 0.409 14 0 "[ . 1 . 2]" 1
105 1 94 LYS HD2 1 94 LYS QE 2.550 . 2.750 2.326 2.149 2.413 . 0 0 "[ . 1 . 2]" 1
106 1 94 LYS HD3 1 94 LYS QE 2.550 . 2.750 2.361 2.185 2.551 . 0 0 "[ . 1 . 2]" 1
107 1 100 ILE HB 1 100 ILE MD 2.670 . 2.870 2.275 2.201 2.397 . 0 0 "[ . 1 . 2]" 1
108 1 142 VAL HA 1 142 VAL MG2 2.480 . 2.680 2.394 2.338 2.439 . 0 0 "[ . 1 . 2]" 1
109 1 118 ASP HA 1 118 ASP HB2 2.970 . 3.170 2.816 2.564 3.043 . 0 0 "[ . 1 . 2]" 1
110 1 97 ASN HA 1 97 ASN HB2 2.930 . 3.130 2.455 2.358 3.026 . 0 0 "[ . 1 . 2]" 1
111 1 132 GLY H 1 132 GLY HA3 2.930 . 3.130 2.856 2.824 2.929 . 0 0 "[ . 1 . 2]" 1
112 1 129 ASP HA 1 130 ILE H 2.610 . 2.810 2.393 2.152 2.629 . 0 0 "[ . 1 . 2]" 1
113 1 123 GLU HA 1 123 GLU HG3 2.810 . 3.010 2.966 2.739 3.075 0.065 17 0 "[ . 1 . 2]" 1
114 1 93 ASP HA 1 94 LYS H 2.690 . 2.890 2.337 2.172 2.482 . 0 0 "[ . 1 . 2]" 1
115 1 86 ARG HA 1 86 ARG QD 3.850 . 4.050 2.391 2.075 3.832 . 0 0 "[ . 1 . 2]" 1
116 1 86 ARG H 1 86 ARG QD 3.850 . 4.050 3.530 3.061 4.163 0.113 19 0 "[ . 1 . 2]" 1
117 1 86 ARG QD 1 86 ARG HG2 2.400 . 2.600 2.331 2.131 2.494 . 0 0 "[ . 1 . 2]" 1
118 1 117 THR HA 1 118 ASP H 2.600 . 2.800 2.559 2.451 2.651 . 0 0 "[ . 1 . 2]" 1
119 1 125 ILE HB 1 125 ILE HG13 2.930 . 3.130 2.536 2.501 2.580 . 0 0 "[ . 1 . 2]" 1
120 1 125 ILE HG13 1 125 ILE MG 3.150 . 3.350 3.240 3.222 3.254 . 0 0 "[ . 1 . 2]" 1
121 1 126 ARG QD 1 126 ARG HG3 2.400 . 2.600 2.295 2.155 2.425 . 0 0 "[ . 1 . 2]" 1
122 1 126 ARG H 1 126 ARG QD 4.020 . 4.220 3.355 2.433 4.081 . 0 0 "[ . 1 . 2]" 1
123 1 126 ARG HA 1 126 ARG QD 4.120 . 4.320 3.260 2.013 4.166 . 0 0 "[ . 1 . 2]" 1
124 1 109 MET H 1 109 MET HA 2.930 . 3.130 2.878 2.858 2.909 . 0 0 "[ . 1 . 2]" 1
125 1 144 MET HA 1 144 MET HG3 2.920 . 3.120 3.045 2.698 3.179 0.059 3 0 "[ . 1 . 2]" 1
126 1 138 TYR HA 1 138 TYR QD 3.120 . 3.320 2.973 2.772 3.138 . 0 0 "[ . 1 . 2]" 1
127 1 137 ASN HA 1 137 ASN HB3 2.990 . 3.190 2.562 2.458 2.651 . 0 0 "[ . 1 . 2]" 1
128 1 137 ASN HB3 1 138 TYR H 3.620 . 3.820 3.761 3.683 3.851 0.031 1 0 "[ . 1 . 2]" 1
129 1 99 TYR QD 1 137 ASN HB3 2.950 . 3.150 2.701 2.519 2.987 . 0 0 "[ . 1 . 2]" 1
130 1 145 MET HA 1 145 MET QG 2.540 . 2.740 2.434 2.279 2.696 . 0 0 "[ . 1 . 2]" 1
131 1 115 LYS HA 1 115 LYS QE 2.830 . 3.030 3.012 2.502 3.215 0.185 11 0 "[ . 1 . 2]" 1
132 1 108 VAL HB 1 109 MET H 3.090 . 3.290 2.663 2.490 2.855 . 0 0 "[ . 1 . 2]" 1
133 1 126 ARG H 1 126 ARG HG2 3.940 . 4.140 3.403 2.242 4.185 0.045 4 0 "[ . 1 . 2]" 1
134 1 126 ARG QD 1 126 ARG HG2 2.400 . 2.600 2.376 2.312 2.477 . 0 0 "[ . 1 . 2]" 1
135 1 128 ALA MB 1 136 VAL MG2 2.540 . 2.740 2.462 2.178 2.869 0.129 20 0 "[ . 1 . 2]" 1
136 1 130 ILE MD 1 143 GLN QG 3.700 . 3.900 2.978 2.050 4.155 0.255 13 0 "[ . 1 . 2]" 1
137 1 130 ILE HA 1 130 ILE HB 3.000 . 3.200 3.065 3.054 3.074 . 0 0 "[ . 1 . 2]" 1
138 1 122 ASP HA 1 125 ILE HB 2.540 . 2.740 2.309 2.026 2.625 . 0 0 "[ . 1 . 2]" 1
139 1 125 ILE HA 1 125 ILE HB 2.990 . 3.190 3.059 3.040 3.066 . 0 0 "[ . 1 . 2]" 1
140 1 125 ILE HB 1 125 ILE HG12 2.930 . 3.130 3.046 3.036 3.050 . 0 0 "[ . 1 . 2]" 1
141 1 136 VAL HA 1 136 VAL MG1 2.950 . 3.150 2.460 2.357 2.527 . 0 0 "[ . 1 . 2]" 1
142 1 130 ILE MD 1 143 GLN QB 3.430 . 3.630 2.958 2.270 3.800 0.170 11 0 "[ . 1 . 2]" 1
143 1 128 ALA MB 1 136 VAL MG1 2.540 . 2.740 2.156 1.987 2.629 . 0 0 "[ . 1 . 2]" 1
144 1 122 ASP HA 1 125 ILE MD 2.890 . 3.090 2.252 2.096 2.639 . 0 0 "[ . 1 . 2]" 1
145 1 102 ALA HA 1 121 VAL MG2 3.250 . 3.450 3.475 3.055 3.641 0.191 2 0 "[ . 1 . 2]" 1
146 1 89 PHE HA 1 100 ILE MD 3.900 . 4.100 3.939 2.791 4.245 0.145 13 0 "[ . 1 . 2]" 1
147 1 127 GLU H 1 127 GLU HG2 4.830 . 5.030 3.751 2.228 4.639 . 0 0 "[ . 1 . 2]" 1
148 1 127 GLU H 1 127 GLU HG3 4.830 . 5.030 3.558 2.253 4.541 . 0 0 "[ . 1 . 2]" 1
149 1 127 GLU H 1 127 GLU QB 2.400 . 2.600 2.315 2.050 2.514 . 0 0 "[ . 1 . 2]" 1
150 1 94 LYS H 1 94 LYS QG 3.510 . 3.710 2.194 1.801 2.752 . 0 0 "[ . 1 . 2]" 1
151 1 94 LYS H 1 94 LYS QB 2.610 . 2.810 2.556 2.366 2.777 . 0 0 "[ . 1 . 2]" 1
152 1 94 LYS H 1 94 LYS HD2 3.420 . 3.620 3.278 2.686 3.718 0.098 13 0 "[ . 1 . 2]" 1
153 1 94 LYS H 1 94 LYS QE 4.830 . 5.030 4.300 3.897 4.784 . 0 0 "[ . 1 . 2]" 1
154 1 94 LYS H 1 94 LYS HD3 3.420 . 3.620 3.006 1.913 3.682 0.062 18 0 "[ . 1 . 2]" 1
155 1 129 ASP H 1 129 ASP HB2 3.100 . 3.300 2.439 2.218 2.560 . 0 0 "[ . 1 . 2]" 1
156 1 128 ALA H 1 129 ASP H 3.370 . 3.570 2.446 2.164 2.751 . 0 0 "[ . 1 . 2]" 1
157 1 129 ASP H 1 129 ASP HB3 3.100 . 3.300 2.683 2.566 2.784 . 0 0 "[ . 1 . 2]" 1
158 1 128 ALA MB 1 129 ASP H 2.820 . 3.020 2.436 2.146 2.581 . 0 0 "[ . 1 . 2]" 1
159 1 132 GLY H 1 133 ASP H 2.520 . 2.720 2.672 2.463 2.772 0.052 13 0 "[ . 1 . 2]" 1
160 1 135 GLN H 1 135 GLN HA 2.910 . 3.110 2.981 2.963 2.995 . 0 0 "[ . 1 . 2]" 1
161 1 106 ARG H 1 106 ARG QB 2.720 . 2.920 2.335 2.207 2.445 . 0 0 "[ . 1 . 2]" 1
162 1 106 ARG H 1 106 ARG HD3 5.300 . 5.500 4.600 4.036 4.963 . 0 0 "[ . 1 . 2]" 1
163 1 106 ARG H 1 106 ARG HD2 5.300 . 5.500 4.656 4.349 4.982 . 0 0 "[ . 1 . 2]" 1
164 1 105 LEU H 1 106 ARG H 3.340 . 3.540 2.617 2.519 2.710 . 0 0 "[ . 1 . 2]" 1
165 1 127 GLU H 1 128 ALA H 2.750 . 2.950 2.488 2.319 2.667 . 0 0 "[ . 1 . 2]" 1
166 1 127 GLU QB 1 128 ALA H 3.290 . 3.490 2.722 2.392 3.212 . 0 0 "[ . 1 . 2]" 1
167 1 128 ALA H 1 128 ALA MB 2.400 . 2.600 2.203 2.067 2.310 . 0 0 "[ . 1 . 2]" 1
168 1 127 GLU HA 1 128 ALA H 3.460 . 3.660 3.514 3.385 3.582 . 0 0 "[ . 1 . 2]" 1
169 1 104 GLU H 1 104 GLU HB2 3.110 . 3.310 2.509 2.028 3.505 0.195 3 0 "[ . 1 . 2]" 1
170 1 108 VAL H 1 108 VAL HB 3.000 . 3.200 2.552 2.469 2.599 . 0 0 "[ . 1 . 2]" 1
171 1 117 THR HB 1 119 GLU H 3.180 . 3.380 2.892 2.597 3.220 . 0 0 "[ . 1 . 2]" 1
172 1 119 GLU H 1 119 GLU HG2 4.830 . 5.030 4.148 3.471 4.576 . 0 0 "[ . 1 . 2]" 1
173 1 119 GLU H 1 119 GLU HG3 4.830 . 5.030 3.679 2.335 4.503 . 0 0 "[ . 1 . 2]" 1
174 1 119 GLU H 1 119 GLU HA 2.940 . 3.140 2.876 2.846 2.898 . 0 0 "[ . 1 . 2]" 1
175 1 143 GLN H 1 143 GLN QB 2.580 . 2.780 2.498 2.389 2.598 . 0 0 "[ . 1 . 2]" 1
176 1 143 GLN H 1 143 GLN QG 3.090 . 3.290 2.166 2.015 2.349 . 0 0 "[ . 1 . 2]" 1
177 1 129 ASP HB2 1 130 ILE H 4.830 . 5.030 4.602 4.571 4.663 . 0 0 "[ . 1 . 2]" 1
178 1 129 ASP HB3 1 130 ILE H 4.830 . 5.030 4.411 4.347 4.466 . 0 0 "[ . 1 . 2]" 1
179 1 147 ALA HA 1 148 LYS H 2.410 . 2.610 2.300 2.123 2.468 . 0 0 "[ . 1 . 2]" 1
180 1 148 LYS H 1 148 LYS HA 2.810 . 3.010 2.814 2.278 2.989 . 0 0 "[ . 1 . 2]" 1
181 1 120 GLU H 1 120 GLU HA 2.830 . 3.030 2.890 2.841 2.921 . 0 0 "[ . 1 . 2]" 1
182 1 120 GLU H 1 120 GLU HG3 3.790 . 3.990 3.627 3.081 3.842 . 0 0 "[ . 1 . 2]" 1
183 1 117 THR HB 1 120 GLU H 3.810 . 4.010 3.706 2.821 3.986 . 0 0 "[ . 1 . 2]" 1
184 1 120 GLU H 1 120 GLU HG2 3.790 . 3.990 2.672 2.472 3.047 . 0 0 "[ . 1 . 2]" 1
185 1 120 GLU H 1 120 GLU HB2 4.140 . 4.340 2.318 2.124 2.421 . 0 0 "[ . 1 . 2]" 1
186 1 120 GLU H 1 120 GLU HB3 4.140 . 4.340 3.571 3.459 3.618 . 0 0 "[ . 1 . 2]" 1
187 1 88 ALA H 1 89 PHE H 2.930 . 3.130 2.709 2.568 2.840 . 0 0 "[ . 1 . 2]" 1
188 1 88 ALA H 1 88 ALA HA 2.800 . 3.000 2.838 2.796 2.875 . 0 0 "[ . 1 . 2]" 1
189 1 126 ARG H 1 126 ARG HG3 3.940 . 4.140 3.025 2.017 4.140 . 0 0 "[ . 1 . 2]" 1
190 1 126 ARG H 1 126 ARG HA 2.870 . 3.070 2.867 2.843 2.886 . 0 0 "[ . 1 . 2]" 1
191 1 93 ASP H 1 94 LYS H 4.070 . 4.270 3.907 3.665 4.253 . 0 0 "[ . 1 . 2]" 1
192 1 93 ASP H 1 93 ASP HB2 3.200 . 3.400 2.459 2.161 2.730 . 0 0 "[ . 1 . 2]" 1
193 1 103 ALA H 1 104 GLU H 2.750 . 2.950 2.686 2.446 2.967 0.017 3 0 "[ . 1 . 2]" 1
194 1 103 ALA H 1 103 ALA MB 2.400 . 2.600 2.232 2.206 2.274 . 0 0 "[ . 1 . 2]" 1
195 1 101 SER HB2 1 103 ALA H 3.080 . 3.280 3.262 3.047 3.341 0.061 14 0 "[ . 1 . 2]" 1
196 1 102 ALA H 1 103 ALA H 2.920 . 3.120 2.783 2.652 2.881 . 0 0 "[ . 1 . 2]" 1
197 1 101 SER HB3 1 103 ALA H 3.080 . 3.280 3.228 2.943 3.323 0.043 4 0 "[ . 1 . 2]" 1
198 1 138 TYR H 1 138 TYR HB3 3.330 . 3.530 2.562 2.400 2.791 . 0 0 "[ . 1 . 2]" 1
199 1 140 GLU H 1 140 GLU HB2 3.700 . 3.900 2.405 2.258 2.485 . 0 0 "[ . 1 . 2]" 1
200 1 140 GLU H 1 140 GLU QG 2.960 . 3.160 2.581 2.416 2.832 . 0 0 "[ . 1 . 2]" 1
201 1 139 GLU HA 1 140 GLU H 3.570 . 3.770 3.550 3.493 3.576 . 0 0 "[ . 1 . 2]" 1
202 1 140 GLU H 1 140 GLU HB3 3.700 . 3.900 3.601 3.555 3.636 . 0 0 "[ . 1 . 2]" 1
203 1 137 ASN H 1 140 GLU HB3 3.840 . 4.040 3.797 3.541 4.053 0.013 20 0 "[ . 1 . 2]" 1
204 1 136 VAL MG1 1 137 ASN H 4.830 . 5.030 3.248 2.858 3.485 . 0 0 "[ . 1 . 2]" 1
205 1 136 VAL MG2 1 137 ASN H 4.830 . 5.030 4.226 4.132 4.302 . 0 0 "[ . 1 . 2]" 1
206 1 96 GLY H 1 96 GLY HA3 2.880 . 3.080 2.857 2.810 2.891 . 0 0 "[ . 1 . 2]" 1
207 1 96 GLY H 1 96 GLY HA2 2.880 . 3.080 2.298 2.283 2.311 . 0 0 "[ . 1 . 2]" 1
208 1 116 LEU H 1 116 LEU HB2 3.700 . 3.900 2.432 2.175 3.899 . 0 0 "[ . 1 . 2]" 1
209 1 115 LYS H 1 116 LEU H 3.840 . 4.040 3.895 3.427 4.075 0.035 3 0 "[ . 1 . 2]" 1
210 1 116 LEU H 1 116 LEU HB3 3.700 . 3.900 3.566 3.344 3.768 . 0 0 "[ . 1 . 2]" 1
211 1 115 LYS HA 1 116 LEU H 2.400 . 2.600 2.261 2.173 2.488 . 0 0 "[ . 1 . 2]" 1
212 1 130 ILE H 1 131 ASP H 2.560 . 2.760 2.656 2.433 2.783 0.023 4 0 "[ . 1 . 2]" 1
213 1 130 ILE MG 1 131 ASP H 3.320 . 3.520 3.462 3.186 3.602 0.082 13 0 "[ . 1 . 2]" 1
214 1 131 ASP H 1 132 GLY H 2.510 . 2.710 2.584 2.467 2.709 . 0 0 "[ . 1 . 2]" 1
215 1 141 LEU H 1 141 LEU MD1 4.830 . 5.030 4.148 3.960 4.255 . 0 0 "[ . 1 . 2]" 1
216 1 139 GLU HA 1 141 LEU H 5.190 . 5.390 4.281 4.118 4.624 . 0 0 "[ . 1 . 2]" 1
217 1 141 LEU H 1 141 LEU MD2 4.830 . 5.030 4.306 4.184 4.407 . 0 0 "[ . 1 . 2]" 1
218 1 87 GLU H 1 87 GLU QG 2.900 . 3.100 2.592 2.113 3.209 0.109 2 0 "[ . 1 . 2]" 1
219 1 87 GLU H 1 87 GLU HA 2.900 . 3.100 2.866 2.811 2.951 . 0 0 "[ . 1 . 2]" 1
220 1 125 ILE H 1 125 ILE HB 2.480 . 2.680 2.465 2.383 2.552 . 0 0 "[ . 1 . 2]" 1
221 1 124 MET H 1 125 ILE H 2.890 . 3.090 2.430 2.274 2.591 . 0 0 "[ . 1 . 2]" 1
222 1 125 ILE H 1 125 ILE MD 4.830 . 5.030 3.562 3.448 3.665 . 0 0 "[ . 1 . 2]" 1
223 1 95 ASP H 1 95 ASP HB2 4.150 . 4.350 3.664 3.562 3.730 . 0 0 "[ . 1 . 2]" 1
224 1 95 ASP H 1 95 ASP HB3 4.150 . 4.350 2.774 2.523 3.089 . 0 0 "[ . 1 . 2]" 1
225 1 94 LYS QB 1 95 ASP H 2.680 . 2.880 2.661 2.290 2.929 0.049 14 0 "[ . 1 . 2]" 1
226 1 95 ASP H 1 96 GLY H 2.410 . 2.610 2.509 2.306 2.622 0.012 17 0 "[ . 1 . 2]" 1
227 1 88 ALA MB 1 89 PHE H 3.750 . 3.950 2.672 2.560 3.105 . 0 0 "[ . 1 . 2]" 1
228 1 89 PHE H 1 90 ARG H 3.240 . 3.440 2.727 2.362 2.983 . 0 0 "[ . 1 . 2]" 1
229 1 115 LYS H 1 115 LYS HD2 4.830 . 5.030 3.595 2.692 5.111 0.081 14 0 "[ . 1 . 2]" 1
230 1 115 LYS H 1 115 LYS HD3 4.830 . 5.030 4.605 4.210 5.044 0.014 3 0 "[ . 1 . 2]" 1
231 1 90 ARG H 1 90 ARG QB 2.420 . 2.620 2.500 2.250 2.782 0.162 8 0 "[ . 1 . 2]" 1
232 1 90 ARG H 1 90 ARG HG3 3.660 . 3.860 3.171 1.827 3.874 0.014 2 0 "[ . 1 . 2]" 1
233 1 90 ARG H 1 90 ARG QD 3.210 . 3.410 3.371 3.188 3.585 0.175 11 0 "[ . 1 . 2]" 1
234 1 91 VAL H 1 91 VAL HB 2.610 . 2.810 2.401 2.318 2.590 . 0 0 "[ . 1 . 2]" 1
235 1 91 VAL H 1 91 VAL MG1 3.930 . 4.130 3.773 3.735 3.821 . 0 0 "[ . 1 . 2]" 1
236 1 124 MET H 1 124 MET HG3 2.910 . 3.110 2.361 1.945 3.274 0.164 9 0 "[ . 1 . 2]" 1
237 1 144 MET H 1 144 MET HG2 3.710 . 3.910 3.508 3.335 3.848 . 0 0 "[ . 1 . 2]" 1
238 1 144 MET H 1 144 MET HA 2.860 . 3.060 2.892 2.856 2.917 . 0 0 "[ . 1 . 2]" 1
239 1 144 MET H 1 144 MET HG3 3.710 . 3.910 2.214 1.985 2.411 . 0 0 "[ . 1 . 2]" 1
240 1 142 VAL H 1 143 GLN H 3.010 . 3.210 2.716 2.604 2.788 . 0 0 "[ . 1 . 2]" 1
241 1 142 VAL H 1 142 VAL HB 2.660 . 2.860 2.543 2.409 2.650 . 0 0 "[ . 1 . 2]" 1
242 1 117 THR HB 1 118 ASP H 2.660 . 2.860 2.286 2.161 2.718 . 0 0 "[ . 1 . 2]" 1
243 1 118 ASP H 1 118 ASP HB3 3.220 . 3.420 3.149 2.637 3.536 0.116 20 0 "[ . 1 . 2]" 1
244 1 118 ASP H 1 118 ASP HB2 3.220 . 3.420 2.178 2.036 2.341 . 0 0 "[ . 1 . 2]" 1
245 1 100 ILE MG 1 101 SER H 3.020 . 3.220 2.531 2.372 2.896 . 0 0 "[ . 1 . 2]" 1
246 1 101 SER H 1 101 SER HB2 4.150 . 4.350 2.853 2.556 3.060 . 0 0 "[ . 1 . 2]" 1
247 1 101 SER H 1 101 SER HB3 4.150 . 4.350 3.889 3.737 3.986 . 0 0 "[ . 1 . 2]" 1
248 1 100 ILE H 1 100 ILE HB 3.350 . 3.550 2.467 2.171 2.633 . 0 0 "[ . 1 . 2]" 1
249 1 100 ILE H 1 100 ILE QG 3.640 . 3.840 3.260 2.927 3.864 0.024 19 0 "[ . 1 . 2]" 1
250 1 100 ILE H 1 100 ILE MG 3.760 . 3.960 3.805 3.419 3.916 . 0 0 "[ . 1 . 2]" 1
251 1 100 ILE H 1 100 ILE MD 4.120 . 4.320 2.466 2.138 2.936 . 0 0 "[ . 1 . 2]" 1
252 1 110 THR H 1 110 THR HB 2.580 . 2.780 2.595 2.493 2.674 . 0 0 "[ . 1 . 2]" 1
253 1 146 THR H 1 146 THR MG 2.990 . 3.190 2.293 2.110 3.276 0.086 5 0 "[ . 1 . 2]" 1
254 1 146 THR H 1 146 THR HB 2.960 . 3.160 2.799 2.453 3.172 0.012 15 0 "[ . 1 . 2]" 1
255 1 146 THR H 1 146 THR HA 2.890 . 3.090 2.925 2.252 2.994 . 0 0 "[ . 1 . 2]" 1
256 1 145 MET H 1 145 MET QG 3.120 . 3.320 2.341 2.119 2.799 . 0 0 "[ . 1 . 2]" 1
257 1 145 MET H 1 145 MET QB 3.440 . 3.640 2.427 2.327 2.563 . 0 0 "[ . 1 . 2]" 1
258 1 144 MET H 1 145 MET H 2.870 . 3.070 2.542 2.408 2.705 . 0 0 "[ . 1 . 2]" 1
259 1 145 MET H 1 146 THR H 2.820 . 3.020 2.529 2.149 2.665 . 0 0 "[ . 1 . 2]" 1
260 1 98 GLY H 1 99 TYR H 2.600 . 2.800 2.642 2.422 2.845 0.045 17 0 "[ . 1 . 2]" 1
261 1 99 TYR H 1 99 TYR HB3 3.840 . 4.040 3.866 3.815 3.914 . 0 0 "[ . 1 . 2]" 1
262 1 121 VAL H 1 121 VAL HB 2.640 . 2.840 2.578 2.448 2.858 0.018 6 0 "[ . 1 . 2]" 1
263 1 120 GLU H 1 121 VAL H 2.600 . 2.800 2.561 2.415 2.743 . 0 0 "[ . 1 . 2]" 1
264 1 121 VAL H 1 121 VAL HA 2.860 . 3.060 2.920 2.888 2.946 . 0 0 "[ . 1 . 2]" 1
265 1 121 VAL HB 1 122 ASP H 2.670 . 2.870 2.814 2.709 2.925 0.055 4 0 "[ . 1 . 2]" 1
266 1 122 ASP H 1 122 ASP HB3 2.690 . 2.890 2.626 2.393 2.892 0.002 4 0 "[ . 1 . 2]" 1
267 1 102 ALA H 1 102 ALA MB 2.560 . 2.760 2.245 2.226 2.266 . 0 0 "[ . 1 . 2]" 1
268 1 101 SER HA 1 102 ALA H 2.520 . 2.720 2.430 2.315 2.560 . 0 0 "[ . 1 . 2]" 1
269 1 91 VAL H 1 92 PHE H 3.800 . 4.000 2.590 2.507 2.708 . 0 0 "[ . 1 . 2]" 1
270 1 146 THR MG 1 147 ALA H 3.320 . 3.520 2.990 2.472 3.755 0.235 5 0 "[ . 1 . 2]" 1
271 1 114 GLU H 1 114 GLU HG2 3.140 . 3.340 3.144 2.438 3.424 0.084 8 0 "[ . 1 . 2]" 1
272 1 110 THR HA 1 114 GLU H 3.200 . 3.400 3.303 2.774 3.441 0.041 3 0 "[ . 1 . 2]" 1
273 1 114 GLU H 1 114 GLU HG3 3.140 . 3.340 2.813 2.439 3.393 0.053 17 0 "[ . 1 . 2]" 1
274 1 123 GLU H 1 123 GLU HA 2.740 . 2.940 2.841 2.820 2.874 . 0 0 "[ . 1 . 2]" 1
275 1 122 ASP H 1 123 GLU H 2.850 . 3.050 2.815 2.725 2.895 . 0 0 "[ . 1 . 2]" 1
276 1 105 LEU H 1 105 LEU HB3 3.170 . 3.370 2.790 2.509 3.393 0.023 3 0 "[ . 1 . 2]" 1
277 1 104 GLU H 1 105 LEU H 3.060 . 3.260 2.685 2.601 2.903 . 0 0 "[ . 1 . 2]" 1
278 1 102 ALA HA 1 105 LEU H 3.360 . 3.560 3.514 3.418 3.606 0.046 6 0 "[ . 1 . 2]" 1
279 1 97 ASN H 1 98 GLY H 2.590 . 2.790 2.706 2.561 2.822 0.032 5 0 "[ . 1 . 2]" 1
280 1 117 THR H 1 117 THR MG 3.750 . 3.950 2.663 2.210 3.634 . 0 0 "[ . 1 . 2]" 1
281 1 133 ASP H 1 134 GLY H 2.420 . 2.620 2.588 2.486 2.658 0.038 19 0 "[ . 1 . 2]" 1
282 1 134 GLY H 1 135 GLN H 2.560 . 2.760 2.538 2.255 2.688 . 0 0 "[ . 1 . 2]" 1
283 1 134 GLY H 1 134 GLY HA3 2.950 . 3.150 2.939 2.905 2.990 . 0 0 "[ . 1 . 2]" 1
284 1 134 GLY H 1 134 GLY HA2 2.950 . 3.150 2.341 2.318 2.415 . 0 0 "[ . 1 . 2]" 1
285 1 132 GLY H 1 132 GLY HA2 2.930 . 3.130 2.299 2.277 2.323 . 0 0 "[ . 1 . 2]" 1
286 1 139 GLU H 1 139 GLU HG3 3.330 . 3.530 2.178 2.008 2.515 . 0 0 "[ . 1 . 2]" 1
287 1 139 GLU H 1 140 GLU H 2.830 . 3.030 2.671 2.607 2.742 . 0 0 "[ . 1 . 2]" 1
288 1 139 GLU H 1 139 GLU HB3 3.600 . 3.800 3.598 3.576 3.619 . 0 0 "[ . 1 . 2]" 1
289 1 97 ASN H 1 97 ASN HA 2.940 . 3.140 2.905 2.867 2.940 . 0 0 "[ . 1 . 2]" 1
290 1 136 VAL H 1 136 VAL HB 3.290 . 3.490 2.591 2.515 2.646 . 0 0 "[ . 1 . 2]" 1
291 1 135 GLN HA 1 136 VAL H 2.500 . 2.700 2.110 2.052 2.159 . 0 0 "[ . 1 . 2]" 1
292 1 117 THR H 1 120 GLU HB2 3.250 . 3.450 2.095 1.822 2.316 . 0 0 "[ . 1 . 2]" 1
293 1 117 THR H 1 120 GLU HB3 3.250 . 3.450 3.468 3.303 3.552 0.102 15 0 "[ . 1 . 2]" 1
294 1 117 THR MG 1 118 ASP H 3.490 . 3.690 3.628 2.339 3.774 0.084 19 0 "[ . 1 . 2]" 1
295 1 118 ASP HB2 1 119 GLU H 3.330 . 3.530 3.222 2.634 3.604 0.074 10 0 "[ . 1 . 2]" 1
296 1 118 ASP HB3 1 119 GLU H 3.330 . 3.530 2.940 2.368 3.563 0.033 20 0 "[ . 1 . 2]" 1
297 1 119 GLU H 1 120 GLU H 2.690 . 2.890 2.645 2.550 2.715 . 0 0 "[ . 1 . 2]" 1
298 1 122 ASP HA 1 125 ILE H 3.220 . 3.420 3.076 2.814 3.395 . 0 0 "[ . 1 . 2]" 1
299 1 100 ILE H 1 136 VAL H 3.340 . 3.540 3.301 2.925 3.590 0.050 18 0 "[ . 1 . 2]" 1
300 1 128 ALA MB 1 143 GLN H 4.430 . 4.630 4.359 3.786 4.721 0.091 9 0 "[ . 1 . 2]" 1
301 1 142 VAL MG2 1 143 GLN H 4.240 . 4.440 3.965 3.829 4.102 . 0 0 "[ . 1 . 2]" 1
302 1 142 VAL MG1 1 143 GLN H 4.240 . 4.440 3.593 3.324 3.850 . 0 0 "[ . 1 . 2]" 1
303 1 137 ASN H 1 140 GLU HB2 3.840 . 4.040 2.319 2.004 2.607 . 0 0 "[ . 1 . 2]" 1
304 1 118 ASP N 1 119 GLU H 2.970 . 3.170 2.421 2.298 2.555 . 0 0 "[ . 1 . 2]" 1
305 1 117 THR N 1 120 GLU H 3.670 . 3.870 3.761 3.513 3.911 0.041 9 0 "[ . 1 . 2]" 1
306 1 117 THR H 1 121 VAL H 4.650 . 4.850 4.322 3.880 4.725 . 0 0 "[ . 1 . 2]" 1
307 1 128 ALA HA 1 129 ASP H 3.570 . 3.770 3.573 3.545 3.604 . 0 0 "[ . 1 . 2]" 1
308 1 126 ARG HA 1 129 ASP H 3.550 . 3.750 3.397 3.220 3.595 . 0 0 "[ . 1 . 2]" 1
309 1 140 GLU HA 1 143 GLN H 3.630 . 3.830 3.269 3.019 3.574 . 0 0 "[ . 1 . 2]" 1
310 1 142 VAL HB 1 143 GLN H 2.790 . 2.990 2.814 2.652 2.999 0.009 3 0 "[ . 1 . 2]" 1
311 1 143 GLN HA 1 146 THR H 3.600 . 3.800 3.404 3.194 3.728 . 0 0 "[ . 1 . 2]" 1
312 1 86 ARG HA 1 138 TYR QD 3.040 . 3.240 3.252 2.841 3.536 0.296 14 0 "[ . 1 . 2]" 1
313 1 86 ARG HA 1 138 TYR QE 2.470 . 2.670 2.360 2.088 2.733 0.063 11 0 "[ . 1 . 2]" 1
314 1 99 TYR QE 1 137 ASN HA 3.520 . 3.720 3.757 3.617 3.841 0.121 13 0 "[ . 1 . 2]" 1
315 1 99 TYR QD 1 135 GLN HA 3.830 . 4.030 4.093 3.939 4.156 0.126 15 0 "[ . 1 . 2]" 1
316 1 99 TYR QD 1 135 GLN HB2 3.150 . 3.350 3.158 2.996 3.329 . 0 0 "[ . 1 . 2]" 1
317 1 99 TYR QD 1 135 GLN HB3 3.150 . 3.350 3.375 3.211 3.551 0.201 20 0 "[ . 1 . 2]" 1
318 1 99 TYR QE 1 135 GLN HB2 3.880 . 4.080 3.356 3.171 3.512 . 0 0 "[ . 1 . 2]" 1
319 1 99 TYR QE 1 135 GLN HB3 3.880 . 4.080 3.500 3.146 3.758 . 0 0 "[ . 1 . 2]" 1
320 1 99 TYR QE 1 135 GLN HA 4.930 . 5.130 5.103 4.859 5.232 0.102 8 0 "[ . 1 . 2]" 1
321 1 99 TYR QE 1 137 ASN HB2 2.850 . 3.050 2.976 2.683 3.114 0.064 3 0 "[ . 1 . 2]" 1
322 1 99 TYR QE 1 137 ASN HB3 2.850 . 3.050 2.303 2.038 2.557 . 0 0 "[ . 1 . 2]" 1
323 1 89 PHE QD 1 138 TYR QD 2.960 . 3.160 2.926 2.316 3.237 0.077 18 0 "[ . 1 . 2]" 1
324 1 89 PHE QD 1 100 ILE MD 3.090 . 3.290 2.686 2.045 3.439 0.149 13 0 "[ . 1 . 2]" 1
325 1 89 PHE HA 1 89 PHE QD 3.580 . 3.780 2.741 2.028 3.148 . 0 0 "[ . 1 . 2]" 1
326 1 92 PHE QD 1 108 VAL MG2 3.130 . 3.330 2.396 2.018 2.699 . 0 0 "[ . 1 . 2]" 1
327 1 92 PHE QD 1 108 VAL MG1 3.130 . 3.330 3.057 2.135 3.470 0.140 18 0 "[ . 1 . 2]" 1
328 1 92 PHE QD 1 108 VAL HB 3.500 . 3.700 3.705 3.112 3.870 0.170 16 0 "[ . 1 . 2]" 1
329 1 92 PHE HA 1 92 PHE QD 3.530 . 3.730 2.841 2.286 3.070 . 0 0 "[ . 1 . 2]" 1
330 1 86 ARG H 1 86 ARG QB 2.850 . 3.050 2.521 2.368 2.717 . 0 0 "[ . 1 . 2]" 1
331 1 86 ARG H 1 86 ARG QG 2.530 . 2.730 2.176 1.803 2.502 . 0 0 "[ . 1 . 2]" 1
332 1 86 ARG HA 1 86 ARG QG 3.470 . 3.670 3.012 2.493 3.433 . 0 0 "[ . 1 . 2]" 1
333 1 86 ARG QB 1 86 ARG QG 2.100 . 2.300 2.021 2.004 2.054 . 0 0 "[ . 1 . 2]" 1
334 1 86 ARG QB 1 86 ARG QD 2.790 . 2.990 2.377 1.982 2.976 . 0 0 "[ . 1 . 2]" 1
335 1 87 GLU H 1 87 GLU QB 2.470 . 2.670 2.333 2.047 2.704 0.034 8 0 "[ . 1 . 2]" 1
336 1 87 GLU QB 1 87 GLU QG 2.310 . 2.510 2.058 2.004 2.120 . 0 0 "[ . 1 . 2]" 1
337 1 89 PHE H 1 89 PHE QB 3.300 . 3.500 2.197 2.051 2.309 . 0 0 "[ . 1 . 2]" 1
338 1 89 PHE HA 1 141 LEU QD 2.950 . 3.150 2.820 2.162 3.304 0.154 13 0 "[ . 1 . 2]" 1
339 1 89 PHE QB 1 138 TYR QD 2.820 . 3.020 2.246 2.047 2.633 . 0 0 "[ . 1 . 2]" 1
340 1 89 PHE QB 1 138 TYR QE 3.160 . 3.360 3.166 2.356 3.532 0.172 14 0 "[ . 1 . 2]" 1
341 1 89 PHE QB 1 141 LEU QD 2.960 . 3.160 2.686 2.168 3.406 0.246 19 0 "[ . 1 . 2]" 1
342 1 89 PHE QD 1 141 LEU QD 3.540 . 3.740 2.456 2.098 2.945 . 0 0 "[ . 1 . 2]" 1
343 1 91 VAL H 1 91 VAL QG 3.400 . 3.600 2.386 2.023 2.497 . 0 0 "[ . 1 . 2]" 1
344 1 91 VAL QG 1 93 ASP H 4.580 . 4.780 4.593 4.393 4.837 0.057 5 0 "[ . 1 . 2]" 1
345 1 92 PHE H 1 92 PHE QB 3.150 . 3.350 2.219 2.086 2.412 . 0 0 "[ . 1 . 2]" 1
346 1 93 ASP H 1 93 ASP QB 2.720 . 2.920 2.265 2.133 2.365 . 0 0 "[ . 1 . 2]" 1
347 1 94 LYS H 1 94 LYS QD 2.880 . 3.080 2.634 1.903 3.154 0.074 10 0 "[ . 1 . 2]" 1
348 1 95 ASP H 1 95 ASP QB 3.490 . 3.690 2.692 2.480 2.931 . 0 0 "[ . 1 . 2]" 1
349 1 95 ASP HA 1 95 ASP QB 2.220 . 2.420 2.163 2.151 2.179 . 0 0 "[ . 1 . 2]" 1
350 1 96 GLY H 1 96 GLY QA 2.450 . 2.650 2.208 2.192 2.224 . 0 0 "[ . 1 . 2]" 1
351 1 96 GLY QA 1 97 ASN H 2.790 . 2.990 2.873 2.797 2.940 . 0 0 "[ . 1 . 2]" 1
352 1 97 ASN HA 1 97 ASN QB 2.530 . 2.730 2.180 2.141 2.320 . 0 0 "[ . 1 . 2]" 1
353 1 97 ASN QB 1 97 ASN QD 2.750 . 2.950 2.262 2.197 2.575 . 0 0 "[ . 1 . 2]" 1
354 1 99 TYR H 1 99 TYR QB 3.340 . 3.540 2.722 2.652 2.805 . 0 0 "[ . 1 . 2]" 1
355 1 99 TYR QD 1 135 GLN QB 2.670 . 2.870 2.896 2.787 3.021 0.151 5 0 "[ . 1 . 2]" 1
356 1 99 TYR QD 1 137 ASN QB 2.540 . 2.740 2.556 2.435 2.774 0.034 1 0 "[ . 1 . 2]" 1
357 1 99 TYR QE 1 135 GLN QB 3.180 . 3.380 3.046 2.824 3.189 . 0 0 "[ . 1 . 2]" 1
358 1 99 TYR QE 1 137 ASN QB 2.490 . 2.690 2.223 2.007 2.409 . 0 0 "[ . 1 . 2]" 1
359 1 100 ILE HB 1 136 VAL QG 2.600 . 2.800 2.530 2.346 2.771 . 0 0 "[ . 1 . 2]" 1
360 1 100 ILE MD 1 141 LEU QD 2.630 . 2.830 2.129 2.004 2.397 . 0 0 "[ . 1 . 2]" 1
361 1 101 SER H 1 101 SER QB 3.280 . 3.480 2.784 2.515 2.966 . 0 0 "[ . 1 . 2]" 1
362 1 101 SER HA 1 101 SER QB 2.540 . 2.740 2.313 2.265 2.392 . 0 0 "[ . 1 . 2]" 1
363 1 101 SER QB 1 102 ALA H 2.740 . 2.940 2.554 2.189 2.767 . 0 0 "[ . 1 . 2]" 1
364 1 101 SER QB 1 103 ALA H 2.700 . 2.900 2.887 2.693 2.968 0.068 14 0 "[ . 1 . 2]" 1
365 1 101 SER QB 1 103 ALA MB 3.810 . 4.010 3.205 2.823 3.578 . 0 0 "[ . 1 . 2]" 1
366 1 102 ALA HA 1 105 LEU QB 3.130 . 3.330 2.991 2.601 3.351 0.021 20 0 "[ . 1 . 2]" 1
367 1 102 ALA MB 1 121 VAL QG 2.650 . 2.850 2.572 2.325 2.772 . 0 0 "[ . 1 . 2]" 1
368 1 104 GLU H 1 104 GLU QB 2.610 . 2.810 2.184 1.959 2.588 . 0 0 "[ . 1 . 2]" 1
369 1 104 GLU QB 1 105 LEU H 3.400 . 3.600 2.490 2.255 3.530 . 0 0 "[ . 1 . 2]" 1
370 1 105 LEU H 1 105 LEU QB 2.730 . 2.930 2.160 2.026 2.267 . 0 0 "[ . 1 . 2]" 1
371 1 105 LEU H 1 105 LEU QD 3.900 . 4.100 3.543 2.690 3.775 . 0 0 "[ . 1 . 2]" 1
372 1 105 LEU HA 1 105 LEU QB 2.500 . 2.700 2.456 2.397 2.552 . 0 0 "[ . 1 . 2]" 1
373 1 106 ARG H 1 106 ARG QG 3.540 . 3.740 2.517 2.314 2.783 . 0 0 "[ . 1 . 2]" 1
374 1 106 ARG H 1 106 ARG QD 4.630 . 4.830 4.106 3.855 4.360 . 0 0 "[ . 1 . 2]" 1
375 1 106 ARG QD 1 106 ARG QG 2.180 . 2.380 2.046 2.025 2.105 . 0 0 "[ . 1 . 2]" 1
376 1 106 ARG QG 1 121 VAL QG 2.380 . 2.580 2.409 2.090 2.885 0.305 12 0 "[ . 1 . 2]" 1
377 1 108 VAL H 1 108 VAL QG 3.390 . 3.590 2.146 2.058 2.223 . 0 0 "[ . 1 . 2]" 1
378 1 108 VAL HA 1 108 VAL QG 2.890 . 3.090 2.141 2.109 2.196 . 0 0 "[ . 1 . 2]" 1
379 1 112 LEU HA 1 112 LEU QB 2.350 . 2.550 2.392 2.348 2.450 . 0 0 "[ . 1 . 2]" 1
380 1 112 LEU QB 1 113 GLY H 3.470 . 3.670 3.076 2.672 3.328 . 0 0 "[ . 1 . 2]" 1
381 1 114 GLU H 1 114 GLU QB 2.790 . 2.990 2.449 2.310 2.595 . 0 0 "[ . 1 . 2]" 1
382 1 114 GLU HA 1 114 GLU QB 2.490 . 2.690 2.353 2.304 2.404 . 0 0 "[ . 1 . 2]" 1
383 1 114 GLU HA 1 114 GLU QG 2.920 . 3.120 2.426 2.302 2.775 . 0 0 "[ . 1 . 2]" 1
384 1 114 GLU QB 1 114 GLU QG 2.160 . 2.360 2.068 2.023 2.104 . 0 0 "[ . 1 . 2]" 1
385 1 114 GLU QB 1 116 LEU QD 3.380 . 3.580 2.287 2.064 3.516 . 0 0 "[ . 1 . 2]" 1
386 1 115 LYS H 1 115 LYS QB 2.930 . 3.130 2.506 2.368 2.635 . 0 0 "[ . 1 . 2]" 1
387 1 115 LYS HA 1 115 LYS QB 2.420 . 2.620 2.408 2.325 2.538 . 0 0 "[ . 1 . 2]" 1
388 1 115 LYS HA 1 115 LYS QD 3.960 . 4.160 2.583 2.127 3.323 . 0 0 "[ . 1 . 2]" 1
389 1 115 LYS QB 1 116 LEU H 3.780 . 3.980 3.788 3.673 3.921 . 0 0 "[ . 1 . 2]" 1
390 1 116 LEU H 1 116 LEU QD 3.890 . 4.090 2.728 2.352 3.504 . 0 0 "[ . 1 . 2]" 1
391 1 116 LEU HA 1 116 LEU QB 2.590 . 2.790 2.447 2.117 2.539 . 0 0 "[ . 1 . 2]" 1
392 1 116 LEU HA 1 116 LEU QD 3.530 . 3.730 2.353 2.086 3.400 . 0 0 "[ . 1 . 2]" 1
393 1 116 LEU QB 1 117 THR H 2.990 . 3.190 2.640 2.180 2.952 . 0 0 "[ . 1 . 2]" 1
394 1 116 LEU QD 1 120 GLU QB 3.600 . 3.800 2.185 1.996 2.543 . 0 0 "[ . 1 . 2]" 1
395 1 117 THR H 1 120 GLU QB 2.680 . 2.880 2.078 1.814 2.288 . 0 0 "[ . 1 . 2]" 1
396 1 118 ASP QB 1 119 GLU H 2.900 . 3.100 2.619 2.338 2.840 . 0 0 "[ . 1 . 2]" 1
397 1 119 GLU H 1 119 GLU QB 2.520 . 2.720 2.222 2.012 2.407 . 0 0 "[ . 1 . 2]" 1
398 1 119 GLU HA 1 119 GLU QB 2.590 . 2.790 2.438 2.365 2.546 . 0 0 "[ . 1 . 2]" 1
399 1 119 GLU HA 1 119 GLU QG 2.770 . 2.970 2.354 2.087 2.726 . 0 0 "[ . 1 . 2]" 1
400 1 120 GLU H 1 120 GLU QB 3.450 . 3.650 2.290 2.105 2.387 . 0 0 "[ . 1 . 2]" 1
401 1 120 GLU H 1 120 GLU QG 3.050 . 3.250 2.601 2.435 2.936 . 0 0 "[ . 1 . 2]" 1
402 1 120 GLU HA 1 120 GLU QB 2.310 . 2.510 2.445 2.396 2.524 0.014 14 0 "[ . 1 . 2]" 1
403 1 120 GLU HA 1 120 GLU QG 2.660 . 2.860 2.660 2.385 2.836 . 0 0 "[ . 1 . 2]" 1
404 1 120 GLU QB 1 120 GLU QG 2.040 . 2.240 2.022 2.011 2.032 . 0 0 "[ . 1 . 2]" 1
405 1 120 GLU QB 1 121 VAL H 2.950 . 3.150 2.677 2.579 2.757 . 0 0 "[ . 1 . 2]" 1
406 1 121 VAL HA 1 121 VAL QG 2.210 . 2.410 2.127 2.094 2.162 . 0 0 "[ . 1 . 2]" 1
407 1 121 VAL HA 1 124 MET QB 4.050 . 4.250 3.564 3.058 4.006 . 0 0 "[ . 1 . 2]" 1
408 1 121 VAL QG 1 122 ASP H 3.410 . 3.610 3.364 3.306 3.428 . 0 0 "[ . 1 . 2]" 1
409 1 122 ASP H 1 122 ASP QB 2.310 . 2.510 2.214 2.130 2.271 . 0 0 "[ . 1 . 2]" 1
410 1 122 ASP HA 1 122 ASP QB 2.400 . 2.600 2.391 2.309 2.478 . 0 0 "[ . 1 . 2]" 1
411 1 123 GLU H 1 123 GLU QB 2.460 . 2.660 2.397 2.280 2.495 . 0 0 "[ . 1 . 2]" 1
412 1 123 GLU H 1 123 GLU QG 2.740 . 2.940 2.277 2.146 2.393 . 0 0 "[ . 1 . 2]" 1
413 1 123 GLU HA 1 123 GLU QG 2.290 . 2.490 2.378 2.318 2.445 . 0 0 "[ . 1 . 2]" 1
414 1 123 GLU QB 1 123 GLU QG 2.060 . 2.260 2.098 2.088 2.119 . 0 0 "[ . 1 . 2]" 1
415 1 124 MET H 1 124 MET QB 2.600 . 2.800 2.498 2.395 2.605 . 0 0 "[ . 1 . 2]" 1
416 1 124 MET H 1 124 MET QG 2.530 . 2.730 2.206 1.873 2.639 . 0 0 "[ . 1 . 2]" 1
417 1 124 MET HA 1 124 MET QG 2.730 . 2.930 2.486 2.330 2.976 0.046 9 0 "[ . 1 . 2]" 1
418 1 124 MET QB 1 125 ILE H 3.130 . 3.330 2.701 2.530 2.908 . 0 0 "[ . 1 . 2]" 1
419 1 125 ILE H 1 125 ILE QG 2.630 . 2.830 2.263 2.053 2.371 . 0 0 "[ . 1 . 2]" 1
420 1 125 ILE HA 1 125 ILE QG 2.870 . 3.070 2.368 2.310 2.434 . 0 0 "[ . 1 . 2]" 1
421 1 125 ILE QG 1 125 ILE MG 2.710 . 2.910 2.309 2.273 2.349 . 0 0 "[ . 1 . 2]" 1
422 1 125 ILE MG 1 129 ASP QB 2.960 . 3.160 2.525 2.212 2.838 . 0 0 "[ . 1 . 2]" 1
423 1 126 ARG HA 1 126 ARG QG 3.070 . 3.270 2.579 2.277 3.416 0.146 1 0 "[ . 1 . 2]" 1
424 1 128 ALA MB 1 136 VAL QG 2.200 . 2.400 2.021 1.856 2.420 0.020 8 0 "[ . 1 . 2]" 1
425 1 128 ALA MB 1 140 GLU QB 2.450 . 2.650 2.200 2.033 2.598 . 0 0 "[ . 1 . 2]" 1
426 1 129 ASP H 1 129 ASP QB 2.640 . 2.840 2.259 2.125 2.334 . 0 0 "[ . 1 . 2]" 1
427 1 129 ASP H 1 136 VAL QG 3.700 . 3.900 3.314 3.122 3.537 . 0 0 "[ . 1 . 2]" 1
428 1 129 ASP QB 1 136 VAL QG 2.870 . 3.070 2.384 2.143 2.612 . 0 0 "[ . 1 . 2]" 1
429 1 130 ILE HA 1 130 ILE QG 3.520 . 3.720 2.421 2.334 2.523 . 0 0 "[ . 1 . 2]" 1
430 1 130 ILE HB 1 130 ILE QG 2.540 . 2.740 2.450 2.379 2.557 . 0 0 "[ . 1 . 2]" 1
431 1 130 ILE QG 1 130 ILE MG 2.310 . 2.510 2.247 1.996 2.356 . 0 0 "[ . 1 . 2]" 1
432 1 131 ASP H 1 131 ASP QB 2.760 . 2.960 2.536 2.136 2.859 . 0 0 "[ . 1 . 2]" 1
433 1 132 GLY H 1 132 GLY QA 2.300 . 2.500 2.209 2.189 2.239 . 0 0 "[ . 1 . 2]" 1
434 1 133 ASP H 1 133 ASP QB 2.750 . 2.950 2.628 2.531 2.709 . 0 0 "[ . 1 . 2]" 1
435 1 133 ASP HA 1 133 ASP QB 2.410 . 2.610 2.172 2.159 2.184 . 0 0 "[ . 1 . 2]" 1
436 1 134 GLY H 1 134 GLY QA 2.450 . 2.650 2.254 2.231 2.318 . 0 0 "[ . 1 . 2]" 1
437 1 134 GLY QA 1 135 GLN H 2.930 . 3.130 2.960 2.925 2.980 . 0 0 "[ . 1 . 2]" 1
438 1 135 GLN H 1 135 GLN QB 3.090 . 3.290 3.229 3.039 3.283 . 0 0 "[ . 1 . 2]" 1
439 1 135 GLN H 1 135 GLN QE 5.340 . 5.540 4.327 3.419 4.822 . 0 0 "[ . 1 . 2]" 1
440 1 135 GLN HA 1 135 GLN QE 5.340 . 5.540 4.944 3.566 5.504 . 0 0 "[ . 1 . 2]" 1
441 1 136 VAL H 1 136 VAL QG 3.920 . 4.120 2.672 2.546 2.758 . 0 0 "[ . 1 . 2]" 1
442 1 136 VAL HA 1 136 VAL QG 2.300 . 2.500 2.167 2.124 2.202 . 0 0 "[ . 1 . 2]" 1
443 1 136 VAL QG 1 137 ASN H 3.720 . 3.920 3.147 2.809 3.344 . 0 0 "[ . 1 . 2]" 1
444 1 136 VAL QG 1 140 GLU H 4.280 . 4.480 3.979 3.863 4.098 . 0 0 "[ . 1 . 2]" 1
445 1 136 VAL QG 1 140 GLU QB 3.170 . 3.370 2.019 1.967 2.211 . 0 0 "[ . 1 . 2]" 1
446 1 136 VAL QG 1 141 LEU HA 2.980 . 3.180 3.070 2.837 3.394 0.214 9 0 "[ . 1 . 2]" 1
447 1 137 ASN H 1 137 ASN QB 3.450 . 3.650 2.624 2.461 2.893 . 0 0 "[ . 1 . 2]" 1
448 1 137 ASN H 1 137 ASN QD 4.550 . 4.750 3.683 2.105 4.444 . 0 0 "[ . 1 . 2]" 1
449 1 137 ASN H 1 140 GLU QB 3.140 . 3.340 2.299 1.993 2.576 . 0 0 "[ . 1 . 2]" 1
450 1 137 ASN HA 1 137 ASN QB 2.570 . 2.770 2.172 2.160 2.188 . 0 0 "[ . 1 . 2]" 1
451 1 137 ASN QB 1 138 TYR H 3.160 . 3.360 2.286 2.176 2.463 . 0 0 "[ . 1 . 2]" 1
452 1 138 TYR H 1 138 TYR QB 2.850 . 3.050 2.243 2.197 2.275 . 0 0 "[ . 1 . 2]" 1
453 1 138 TYR QD 1 142 VAL QG 3.330 . 3.530 3.207 2.533 3.665 0.135 4 0 "[ . 1 . 2]" 1
454 1 138 TYR QE 1 142 VAL QG 2.880 . 3.080 2.741 2.225 3.299 0.219 15 0 "[ . 1 . 2]" 1
455 1 139 GLU H 1 139 GLU QB 2.950 . 3.150 2.453 2.377 2.516 . 0 0 "[ . 1 . 2]" 1
456 1 139 GLU HA 1 139 GLU QG 2.700 . 2.900 2.437 2.320 2.535 . 0 0 "[ . 1 . 2]" 1
457 1 139 GLU HA 1 142 VAL QG 2.880 . 3.080 2.739 2.297 3.132 0.052 5 0 "[ . 1 . 2]" 1
458 1 140 GLU H 1 140 GLU QB 2.820 . 3.020 2.371 2.234 2.444 . 0 0 "[ . 1 . 2]" 1
459 1 140 GLU QB 1 141 LEU H 3.620 . 3.820 2.787 2.614 2.903 . 0 0 "[ . 1 . 2]" 1
460 1 141 LEU HA 1 141 LEU QD 2.890 . 3.090 2.441 2.117 3.083 . 0 0 "[ . 1 . 2]" 1
461 1 141 LEU QB 1 141 LEU QD 2.390 . 2.590 1.945 1.881 2.001 . 0 0 "[ . 1 . 2]" 1
462 1 141 LEU QD 1 142 VAL H 3.870 . 4.070 3.868 3.383 4.158 0.088 3 0 "[ . 1 . 2]" 1
463 1 141 LEU QD 1 144 MET H 3.790 . 3.990 3.993 3.615 4.252 0.262 8 0 "[ . 1 . 2]" 1
464 1 141 LEU QD 1 145 MET H 4.260 . 4.460 4.197 3.570 4.663 0.203 11 0 "[ . 1 . 2]" 1
465 1 142 VAL H 1 142 VAL QG 3.850 . 4.050 2.119 1.998 2.310 . 0 0 "[ . 1 . 2]" 1
466 1 142 VAL QG 1 143 GLN H 3.600 . 3.800 3.335 3.182 3.477 . 0 0 "[ . 1 . 2]" 1
467 1 142 VAL QG 1 146 THR HB 3.240 . 3.440 3.253 2.673 3.608 0.168 5 0 "[ . 1 . 2]" 1
468 1 142 VAL QG 1 146 THR MG 4.100 . 4.300 2.922 2.243 4.616 0.316 5 0 "[ . 1 . 2]" 1
469 1 144 MET H 1 144 MET QB 2.400 . 2.600 2.473 2.361 2.570 . 0 0 "[ . 1 . 2]" 1
470 1 144 MET H 1 144 MET QG 3.160 . 3.360 2.191 1.971 2.388 . 0 0 "[ . 1 . 2]" 1
471 1 144 MET HA 1 144 MET QG 2.540 . 2.740 2.493 2.406 2.632 . 0 0 "[ . 1 . 2]" 1
472 1 144 MET QB 1 144 MET QG 2.060 . 2.260 2.091 2.068 2.106 . 0 0 "[ . 1 . 2]" 1
473 1 144 MET QB 1 145 MET H 2.950 . 3.150 2.619 2.264 2.857 . 0 0 "[ . 1 . 2]" 1
474 1 144 MET QB 1 145 MET HA 3.970 . 4.170 3.829 3.706 4.045 . 0 0 "[ . 1 . 2]" 1
475 1 148 LYS H 1 148 LYS QB 3.180 . 3.380 2.493 2.038 3.285 . 0 0 "[ . 1 . 2]" 1
476 1 148 LYS HA 1 148 LYS QD 2.870 . 3.070 2.707 2.142 3.342 0.272 18 0 "[ . 1 . 2]" 1
477 1 148 LYS QB 1 148 LYS QD 2.360 . 2.560 2.380 2.132 2.722 0.162 4 0 "[ . 1 . 2]" 1
478 1 148 LYS QD 1 148 LYS QE 2.230 . 2.430 2.077 2.006 2.121 . 0 0 "[ . 1 . 2]" 1
479 1 70 THR HB 1 71 MET H 3.010 . 3.210 2.983 2.685 3.219 0.009 18 0 "[ . 1 . 2]" 1
480 1 63 ILE MG 1 68 PHE HA 2.810 . 3.010 2.487 2.283 2.729 . 0 0 "[ . 1 . 2]" 1
481 1 64 ASP HB2 1 66 PRO QD 3.040 . 3.240 2.589 2.117 2.720 . 0 0 "[ . 1 . 2]" 1
482 1 65 PHE QD 1 66 PRO QD 4.100 . 4.300 3.451 2.759 4.209 . 0 0 "[ . 1 . 2]" 1
483 1 65 PHE H 1 66 PRO QD 2.790 . 2.990 2.596 2.499 2.677 . 0 0 "[ . 1 . 2]" 1
484 1 66 PRO QD 1 67 GLU H 3.580 . 3.780 2.763 2.688 2.862 . 0 0 "[ . 1 . 2]" 1
485 1 64 ASP HB3 1 66 PRO QD 3.040 . 3.240 2.387 2.108 2.798 . 0 0 "[ . 1 . 2]" 1
486 1 55 VAL MG1 1 67 GLU HB2 3.920 . 4.120 4.013 3.669 4.520 0.400 14 0 "[ . 1 . 2]" 1
487 1 55 VAL MG1 1 67 GLU HB3 3.620 . 3.820 2.797 2.406 3.540 . 0 0 "[ . 1 . 2]" 1
488 1 55 VAL MG2 1 67 GLU HB3 3.620 . 3.820 2.517 2.137 3.591 . 0 0 "[ . 1 . 2]" 1
489 1 55 VAL MG2 1 67 GLU HB2 3.620 . 3.820 3.873 3.262 4.266 0.446 11 0 "[ . 1 . 2]" 1
490 1 52 ILE MG 1 56 ASP HB2 3.120 . 3.320 2.613 2.415 2.883 . 0 0 "[ . 1 . 2]" 1
491 1 52 ILE MG 1 56 ASP HB3 3.120 . 3.320 2.739 2.373 3.085 . 0 0 "[ . 1 . 2]" 1
492 1 52 ILE MG 1 53 ASN HA 3.050 . 3.250 3.195 2.980 3.331 0.081 5 0 "[ . 1 . 2]" 1
493 1 29 THR HA 1 52 ILE MG 4.100 . 4.300 4.161 3.534 4.400 0.100 2 0 "[ . 1 . 2]" 1
494 1 29 THR HB 1 52 ILE MG 4.450 . 4.650 4.435 3.988 4.734 0.084 5 0 "[ . 1 . 2]" 1
495 1 29 THR HB 1 52 ILE MD 3.610 . 3.810 3.628 2.365 3.924 0.114 1 0 "[ . 1 . 2]" 1
496 1 29 THR HA 1 52 ILE MD 2.400 . 2.600 2.431 2.182 2.707 0.107 18 0 "[ . 1 . 2]" 1
497 1 29 THR MG 1 49 GLN QG 5.500 . 5.700 3.854 2.949 4.902 . 0 0 "[ . 1 . 2]" 1
498 1 29 THR MG 1 52 ILE MD 2.610 . 2.810 2.428 2.135 2.859 0.049 1 0 "[ . 1 . 2]" 1
499 1 19 PHE QB 1 27 ILE MD 2.730 . 2.930 2.168 2.025 2.277 . 0 0 "[ . 1 . 2]" 1
500 1 16 PHE HA 1 27 ILE MD 3.220 . 3.420 2.822 2.387 3.395 . 0 0 "[ . 1 . 2]" 1
501 1 10 ALA HA 1 13 LYS QB 3.410 . 3.610 3.339 2.402 3.710 0.100 8 0 "[ . 1 . 2]" 1
502 1 7 GLU HA 1 10 ALA MB 2.750 . 2.950 2.834 2.574 3.125 0.175 3 0 "[ . 1 . 2]" 1
503 1 9 ILE QG 1 9 ILE MG 2.400 . 2.600 2.273 2.217 2.381 . 0 0 "[ . 1 . 2]" 1
504 1 6 GLU HA 1 9 ILE HB 2.980 . 3.180 2.621 2.266 3.017 . 0 0 "[ . 1 . 2]" 1
505 1 9 ILE H 1 9 ILE HB 2.770 . 2.970 2.480 2.310 2.573 . 0 0 "[ . 1 . 2]" 1
506 1 18 LEU HB2 1 18 LEU MD1 3.420 . 3.620 3.207 3.148 3.238 . 0 0 "[ . 1 . 2]" 1
507 1 84 GLU HB2 1 84 GLU QG 2.400 . 2.600 2.347 2.172 2.422 . 0 0 "[ . 1 . 2]" 1
508 1 21 LYS H 1 21 LYS QB 2.400 . 2.600 2.219 2.123 2.321 . 0 0 "[ . 1 . 2]" 1
509 1 21 LYS QB 1 22 ASP H 2.770 . 2.970 2.799 2.516 3.087 0.117 8 0 "[ . 1 . 2]" 1
510 1 26 THR HA 1 26 THR MG 2.800 . 3.000 2.431 2.164 2.720 . 0 0 "[ . 1 . 2]" 1
511 1 26 THR H 1 26 THR MG 3.180 . 3.380 3.064 2.614 3.639 0.259 3 0 "[ . 1 . 2]" 1
512 1 27 ILE HB 1 63 ILE HB 2.670 . 2.870 2.056 1.969 2.164 . 0 0 "[ . 1 . 2]" 1
513 1 63 ILE H 1 63 ILE HB 3.000 . 3.200 2.517 2.409 2.722 . 0 0 "[ . 1 . 2]" 1
514 1 32 LEU H 1 32 LEU HB3 2.870 . 3.070 2.726 2.447 3.104 0.034 13 0 "[ . 1 . 2]" 1
515 1 19 PHE QD 1 35 VAL HB 2.960 . 3.160 2.645 2.262 3.216 0.056 9 0 "[ . 1 . 2]" 1
516 1 55 VAL HA 1 55 VAL MG2 3.190 . 3.390 2.363 2.186 3.231 . 0 0 "[ . 1 . 2]" 1
517 1 55 VAL HA 1 55 VAL MG1 3.190 . 3.390 3.140 2.128 3.268 . 0 0 "[ . 1 . 2]" 1
518 1 79 THR HA 1 79 THR MG 2.500 . 2.700 2.336 2.192 2.479 . 0 0 "[ . 1 . 2]" 1
519 1 74 ARG HA 1 74 ARG QD 2.800 . 3.000 2.262 2.020 3.261 0.261 15 0 "[ . 1 . 2]" 1
520 1 52 ILE HB 1 52 ILE MD 3.520 . 3.720 3.242 2.416 3.311 . 0 0 "[ . 1 . 2]" 1
521 1 50 ASP H 1 50 ASP HA 2.700 . 2.900 2.854 2.828 2.881 . 0 0 "[ . 1 . 2]" 1
522 1 71 MET HA 1 71 MET HG3 3.270 . 3.470 3.163 3.074 3.266 . 0 0 "[ . 1 . 2]" 1
523 1 71 MET ME 1 71 MET HG3 3.380 . 3.580 2.813 2.403 3.404 . 0 0 "[ . 1 . 2]" 1
524 1 71 MET H 1 71 MET HG3 3.110 . 3.310 2.201 2.043 2.475 . 0 0 "[ . 1 . 2]" 1
525 1 34 THR H 1 34 THR HA 2.800 . 3.000 2.853 2.824 2.893 . 0 0 "[ . 1 . 2]" 1
526 1 34 THR HA 1 34 THR MG 2.400 . 2.600 2.341 2.239 2.387 . 0 0 "[ . 1 . 2]" 1
527 1 38 SER HA 1 38 SER QB 2.400 . 2.600 2.356 2.180 2.416 . 0 0 "[ . 1 . 2]" 1
528 1 37 ARG HA 1 37 ARG HD2 2.970 . 3.170 2.731 2.161 3.280 0.110 7 0 "[ . 1 . 2]" 1
529 1 30 LYS HA 1 30 LYS HD2 3.120 . 3.320 2.500 2.256 3.002 . 0 0 "[ . 1 . 2]" 1
530 1 54 GLU HA 1 54 GLU HG3 2.610 . 2.810 2.681 2.278 2.861 0.051 18 0 "[ . 1 . 2]" 1
531 1 77 LYS QE 1 77 LYS QG 2.400 . 2.600 2.282 2.101 2.623 0.023 5 0 "[ . 1 . 2]" 1
532 1 74 ARG HA 1 74 ARG QB 2.620 . 2.820 2.444 2.352 2.558 . 0 0 "[ . 1 . 2]" 1
533 1 29 THR HA 1 29 THR HB 2.710 . 2.910 2.459 2.358 2.516 . 0 0 "[ . 1 . 2]" 1
534 1 6 GLU H 1 6 GLU QB 2.470 . 2.670 2.430 2.368 2.576 . 0 0 "[ . 1 . 2]" 1
535 1 37 ARG HA 1 37 ARG HD3 2.970 . 3.170 2.760 2.037 3.282 0.112 8 0 "[ . 1 . 2]" 1
536 1 20 ASP HA 1 21 LYS H 2.550 . 2.750 2.207 2.144 2.304 . 0 0 "[ . 1 . 2]" 1
537 1 71 MET HA 1 71 MET HG2 3.270 . 3.470 2.515 2.395 2.638 . 0 0 "[ . 1 . 2]" 1
538 1 71 MET ME 1 71 MET HG2 3.380 . 3.580 2.451 2.260 2.653 . 0 0 "[ . 1 . 2]" 1
539 1 71 MET H 1 71 MET HG2 3.110 . 3.310 3.314 3.186 3.344 0.034 2 0 "[ . 1 . 2]" 1
540 1 46 ALA H 1 46 ALA MB 2.400 . 2.600 2.222 2.190 2.244 . 0 0 "[ . 1 . 2]" 1
541 1 46 ALA MB 1 47 GLU H 2.410 . 2.610 2.660 2.590 2.743 0.133 1 0 "[ . 1 . 2]" 1
542 1 42 ASN HA 1 42 ASN HB3 2.990 . 3.190 2.566 2.330 3.037 . 0 0 "[ . 1 . 2]" 1
543 1 69 LEU HB3 1 69 LEU MD2 3.410 . 3.610 2.514 2.232 3.245 . 0 0 "[ . 1 . 2]" 1
544 1 69 LEU HB3 1 69 LEU MD1 3.410 . 3.610 3.029 2.330 3.247 . 0 0 "[ . 1 . 2]" 1
545 1 69 LEU H 1 69 LEU HB3 3.460 . 3.660 2.949 2.542 3.505 . 0 0 "[ . 1 . 2]" 1
546 1 69 LEU HB2 1 69 LEU MD2 3.410 . 3.610 2.392 2.214 2.465 . 0 0 "[ . 1 . 2]" 1
547 1 69 LEU HB2 1 69 LEU MD1 3.410 . 3.610 2.578 2.283 3.253 . 0 0 "[ . 1 . 2]" 1
548 1 69 LEU H 1 69 LEU HB2 3.460 . 3.660 2.214 1.998 2.425 . 0 0 "[ . 1 . 2]" 1
549 1 49 GLN QB 1 50 ASP H 2.650 . 2.850 2.685 2.527 2.902 0.052 15 0 "[ . 1 . 2]" 1
550 1 49 GLN HA 1 49 GLN QB 2.500 . 2.700 2.419 2.378 2.456 . 0 0 "[ . 1 . 2]" 1
551 1 36 MET HA 1 36 MET HG2 3.470 . 3.670 2.457 2.329 2.558 . 0 0 "[ . 1 . 2]" 1
552 1 36 MET H 1 36 MET HG2 3.190 . 3.390 3.380 3.301 3.441 0.051 15 0 "[ . 1 . 2]" 1
553 1 79 THR HA 1 79 THR HB 2.400 . 2.600 2.517 2.403 2.633 0.033 11 0 "[ . 1 . 2]" 1
554 1 27 ILE HB 1 27 ILE MD 2.730 . 2.930 2.357 2.326 2.393 . 0 0 "[ . 1 . 2]" 1
555 1 81 SER H 1 81 SER HB3 3.050 . 3.250 2.559 2.344 2.748 . 0 0 "[ . 1 . 2]" 1
556 1 50 ASP H 1 50 ASP HB2 2.640 . 2.840 2.533 2.386 2.733 . 0 0 "[ . 1 . 2]" 1
557 1 19 PHE H 1 19 PHE QB 2.940 . 3.140 2.373 2.220 2.495 . 0 0 "[ . 1 . 2]" 1
558 1 19 PHE QB 1 20 ASP H 3.310 . 3.510 2.470 2.312 2.678 . 0 0 "[ . 1 . 2]" 1
559 1 8 GLN H 1 8 GLN QB 2.410 . 2.610 2.399 2.191 2.620 0.010 3 0 "[ . 1 . 2]" 1
560 1 41 GLN H 1 41 GLN QB 3.140 . 3.340 2.496 2.244 2.857 . 0 0 "[ . 1 . 2]" 1
561 1 12 PHE HA 1 12 PHE QD 2.670 . 2.870 2.450 2.039 2.971 0.101 8 0 "[ . 1 . 2]" 1
562 1 61 GLY H 1 61 GLY HA2 2.900 . 3.100 2.333 2.319 2.355 . 0 0 "[ . 1 . 2]" 1
563 1 44 THR HA 1 45 GLU H 2.440 . 2.640 2.412 2.303 2.544 . 0 0 "[ . 1 . 2]" 1
564 1 37 ARG HA 1 37 ARG QB 2.400 . 2.600 2.499 2.334 2.555 . 0 0 "[ . 1 . 2]" 1
565 1 38 SER H 1 38 SER HA 2.890 . 3.090 2.860 2.812 2.916 . 0 0 "[ . 1 . 2]" 1
566 1 22 ASP HA 1 22 ASP HB3 2.480 . 2.680 2.391 2.341 2.495 . 0 0 "[ . 1 . 2]" 1
567 1 55 VAL HA 1 55 VAL HB 2.530 . 2.730 2.522 2.456 2.740 0.010 11 0 "[ . 1 . 2]" 1
568 1 55 VAL H 1 55 VAL HB 3.540 . 3.740 3.010 2.760 3.782 0.042 14 0 "[ . 1 . 2]" 1
569 1 32 LEU H 1 32 LEU HB2 2.870 . 3.070 2.314 2.033 2.606 . 0 0 "[ . 1 . 2]" 1
570 1 70 THR H 1 70 THR HB 2.620 . 2.820 2.584 2.482 2.696 . 0 0 "[ . 1 . 2]" 1
571 1 39 LEU HA 1 39 LEU HB2 2.970 . 3.170 2.774 2.504 2.995 . 0 0 "[ . 1 . 2]" 1
572 1 47 GLU HB3 1 47 GLU QG 2.530 . 2.730 2.393 2.325 2.477 . 0 0 "[ . 1 . 2]" 1
573 1 47 GLU HA 1 47 GLU QG 2.620 . 2.820 2.643 2.417 3.076 0.256 2 0 "[ . 1 . 2]" 1
574 1 47 GLU H 1 47 GLU QG 2.840 . 3.040 2.411 2.194 3.192 0.152 2 0 "[ . 1 . 2]" 1
575 1 21 LYS HA 1 21 LYS QB 2.400 . 2.600 2.482 2.454 2.507 . 0 0 "[ . 1 . 2]" 1
576 1 21 LYS H 1 21 LYS HA 2.840 . 3.040 2.877 2.820 2.906 . 0 0 "[ . 1 . 2]" 1
577 1 21 LYS HA 1 21 LYS QG 2.400 . 2.600 2.366 2.289 2.455 . 0 0 "[ . 1 . 2]" 1
578 1 68 PHE H 1 68 PHE HB2 3.120 . 3.320 2.488 2.394 2.679 . 0 0 "[ . 1 . 2]" 1
579 1 30 LYS HA 1 30 LYS HD3 3.120 . 3.320 3.371 3.284 3.430 0.110 10 0 "[ . 1 . 2]" 1
580 1 8 GLN HA 1 8 GLN QG 3.520 . 3.720 2.801 2.226 3.446 . 0 0 "[ . 1 . 2]" 1
581 1 52 ILE HA 1 52 ILE HG12 4.100 . 4.300 2.846 2.413 3.166 . 0 0 "[ . 1 . 2]" 1
582 1 24 ASP H 1 24 ASP HB3 3.700 . 3.900 2.599 2.441 2.770 . 0 0 "[ . 1 . 2]" 1
583 1 6 GLU HA 1 6 GLU QB 2.400 . 2.600 2.298 2.157 2.422 . 0 0 "[ . 1 . 2]" 1
584 1 42 ASN HA 1 43 PRO HD3 2.850 . 3.050 2.843 2.379 3.124 0.074 3 0 "[ . 1 . 2]" 1
585 1 52 ILE HG12 1 52 ILE MG 3.200 . 3.400 3.216 2.451 3.265 . 0 0 "[ . 1 . 2]" 1
586 1 85 ILE H 1 85 ILE MG 4.280 . 4.480 3.805 3.757 3.880 . 0 0 "[ . 1 . 2]" 1
587 1 22 ASP HA 1 22 ASP HB2 2.480 . 2.680 2.498 2.408 2.551 . 0 0 "[ . 1 . 2]" 1
588 1 39 LEU H 1 39 LEU HB3 3.220 . 3.420 3.028 2.510 3.454 0.034 11 0 "[ . 1 . 2]" 1
589 1 39 LEU HA 1 39 LEU HB3 2.970 . 3.170 2.909 2.688 3.043 . 0 0 "[ . 1 . 2]" 1
590 1 18 LEU HB2 1 18 LEU HG 2.420 . 2.620 2.313 2.268 2.408 . 0 0 "[ . 1 . 2]" 1
591 1 18 LEU HB2 1 18 LEU MD2 3.420 . 3.620 2.494 2.356 2.627 . 0 0 "[ . 1 . 2]" 1
592 1 14 GLU H 1 14 GLU HB2 2.690 . 2.890 2.482 2.220 2.639 . 0 0 "[ . 1 . 2]" 1
593 1 64 ASP H 1 64 ASP HB2 3.720 . 3.920 2.453 2.359 2.771 . 0 0 "[ . 1 . 2]" 1
594 1 64 ASP HB2 1 65 PHE H 3.320 . 3.520 3.545 3.213 3.598 0.078 16 0 "[ . 1 . 2]" 1
595 1 5 THR HA 1 5 THR MG 2.400 . 2.600 2.288 2.159 2.461 . 0 0 "[ . 1 . 2]" 1
596 1 70 THR HA 1 70 THR MG 2.470 . 2.670 2.355 2.313 2.441 . 0 0 "[ . 1 . 2]" 1
597 1 30 LYS HA 1 30 LYS QB 2.650 . 2.850 2.507 2.478 2.544 . 0 0 "[ . 1 . 2]" 1
598 1 77 LYS HA 1 77 LYS QD 3.940 . 4.140 2.522 2.008 3.650 . 0 0 "[ . 1 . 2]" 1
599 1 77 LYS HA 1 77 LYS QG 3.410 . 3.610 2.686 2.293 3.060 . 0 0 "[ . 1 . 2]" 1
600 1 14 GLU H 1 14 GLU HB3 2.690 . 2.890 2.593 2.406 2.812 . 0 0 "[ . 1 . 2]" 1
601 1 59 GLY H 1 59 GLY HA3 2.920 . 3.120 2.884 2.844 2.930 . 0 0 "[ . 1 . 2]" 1
602 1 29 THR HA 1 29 THR MG 2.680 . 2.880 2.394 2.282 2.560 . 0 0 "[ . 1 . 2]" 1
603 1 21 LYS HD2 1 21 LYS QG 2.400 . 2.600 2.310 2.174 2.381 . 0 0 "[ . 1 . 2]" 1
604 1 21 LYS H 1 21 LYS QG 3.490 . 3.690 3.544 3.433 3.656 . 0 0 "[ . 1 . 2]" 1
605 1 21 LYS QE 1 21 LYS QG 2.400 . 2.600 2.271 2.117 2.384 . 0 0 "[ . 1 . 2]" 1
606 1 21 LYS HD3 1 21 LYS QG 2.400 . 2.600 2.396 2.364 2.452 . 0 0 "[ . 1 . 2]" 1
607 1 9 ILE HA 1 9 ILE QG 2.870 . 3.070 2.467 2.354 2.881 . 0 0 "[ . 1 . 2]" 1
608 1 9 ILE H 1 9 ILE QG 3.110 . 3.310 2.264 2.100 2.664 . 0 0 "[ . 1 . 2]" 1
609 1 13 LYS H 1 13 LYS QB 2.470 . 2.670 2.360 2.027 2.621 . 0 0 "[ . 1 . 2]" 1
610 1 13 LYS HA 1 13 LYS QB 2.620 . 2.820 2.284 2.142 2.556 . 0 0 "[ . 1 . 2]" 1
611 1 16 PHE HA 1 19 PHE QD 3.450 . 3.650 3.009 2.456 3.684 0.034 6 0 "[ . 1 . 2]" 1
612 1 16 PHE HA 1 16 PHE QD 2.870 . 3.070 2.968 2.664 3.081 0.011 18 0 "[ . 1 . 2]" 1
613 1 56 ASP H 1 56 ASP HB3 2.870 . 3.070 2.557 2.450 2.671 . 0 0 "[ . 1 . 2]" 1
614 1 84 GLU H 1 84 GLU HB3 3.430 . 3.630 2.876 2.093 3.632 0.002 4 0 "[ . 1 . 2]" 1
615 1 84 GLU HB3 1 84 GLU QG 2.400 . 2.600 2.373 2.284 2.435 . 0 0 "[ . 1 . 2]" 1
616 1 68 PHE HA 1 68 PHE QD 3.070 . 3.270 2.625 2.219 2.815 . 0 0 "[ . 1 . 2]" 1
617 1 68 PHE HA 1 68 PHE HB2 2.970 . 3.170 2.477 2.397 2.513 . 0 0 "[ . 1 . 2]" 1
618 1 68 PHE HA 1 68 PHE HB3 2.970 . 3.170 3.046 3.033 3.052 . 0 0 "[ . 1 . 2]" 1
619 1 23 GLY H 1 23 GLY QA 2.400 . 2.600 2.220 2.191 2.241 . 0 0 "[ . 1 . 2]" 1
620 1 53 ASN HA 1 53 ASN HB3 2.890 . 3.090 2.795 2.607 2.995 . 0 0 "[ . 1 . 2]" 1
621 1 53 ASN HA 1 53 ASN HB2 2.890 . 3.090 2.882 2.663 3.016 . 0 0 "[ . 1 . 2]" 1
622 1 85 ILE HA 1 85 ILE MG 2.620 . 2.820 2.425 2.328 2.636 . 0 0 "[ . 1 . 2]" 1
623 1 85 ILE HA 1 85 ILE QG 3.310 . 3.510 2.994 2.715 3.117 . 0 0 "[ . 1 . 2]" 1
624 1 85 ILE HA 1 85 ILE MD 2.650 . 2.850 2.173 2.111 2.249 . 0 0 "[ . 1 . 2]" 1
625 1 68 PHE H 1 68 PHE HB3 3.120 . 3.320 2.455 2.267 2.558 . 0 0 "[ . 1 . 2]" 1
626 1 73 ALA MB 1 74 ARG H 2.740 . 2.940 2.795 2.481 3.006 0.066 2 0 "[ . 1 . 2]" 1
627 1 42 ASN HA 1 43 PRO HD2 2.850 . 3.050 2.402 2.210 2.854 . 0 0 "[ . 1 . 2]" 1
628 1 48 LEU HA 1 48 LEU MD2 2.560 . 2.760 2.397 2.196 2.801 0.041 15 0 "[ . 1 . 2]" 1
629 1 48 LEU HA 1 48 LEU MD1 2.560 . 2.760 2.149 2.032 2.334 . 0 0 "[ . 1 . 2]" 1
630 1 11 GLU H 1 11 GLU HG2 3.080 . 3.280 2.840 2.027 3.319 0.039 18 0 "[ . 1 . 2]" 1
631 1 52 ILE HA 1 52 ILE MG 2.400 . 2.600 2.507 2.393 2.557 . 0 0 "[ . 1 . 2]" 1
632 1 63 ILE QG 1 63 ILE MG 2.930 . 3.130 2.251 2.073 2.328 . 0 0 "[ . 1 . 2]" 1
633 1 39 LEU H 1 39 LEU HB2 3.220 . 3.420 2.230 2.044 2.582 . 0 0 "[ . 1 . 2]" 1
634 1 50 ASP H 1 50 ASP HB3 2.640 . 2.840 2.502 2.242 2.631 . 0 0 "[ . 1 . 2]" 1
635 1 59 GLY H 1 59 GLY HA2 2.920 . 3.120 2.309 2.288 2.337 . 0 0 "[ . 1 . 2]" 1
636 1 78 ASP H 1 78 ASP HB2 2.770 . 2.970 2.534 2.323 3.107 0.137 3 0 "[ . 1 . 2]" 1
637 1 18 LEU HA 1 18 LEU MD2 2.650 . 2.850 2.193 2.116 2.254 . 0 0 "[ . 1 . 2]" 1
638 1 18 LEU H 1 18 LEU HA 2.700 . 2.900 2.860 2.833 2.909 0.009 9 0 "[ . 1 . 2]" 1
639 1 10 ALA MB 1 11 GLU H 2.740 . 2.940 2.653 2.482 2.956 0.016 14 0 "[ . 1 . 2]" 1
640 1 41 GLN H 1 41 GLN HA 2.780 . 2.980 2.859 2.293 2.945 . 0 0 "[ . 1 . 2]" 1
641 1 31 GLU H 1 31 GLU HA 2.900 . 3.100 2.858 2.834 2.893 . 0 0 "[ . 1 . 2]" 1
642 1 51 MET H 1 51 MET HG2 3.220 . 3.420 2.856 2.124 3.471 0.051 3 0 "[ . 1 . 2]" 1
643 1 49 GLN HA 1 49 GLN QG 2.870 . 3.070 2.656 2.345 3.057 . 0 0 "[ . 1 . 2]" 1
644 1 17 SER HA 1 17 SER QB 2.400 . 2.600 2.347 2.172 2.448 . 0 0 "[ . 1 . 2]" 1
645 1 54 GLU HA 1 54 GLU HG2 2.610 . 2.810 2.419 2.187 2.815 0.005 4 0 "[ . 1 . 2]" 1
646 1 36 MET HA 1 36 MET HG3 3.470 . 3.670 3.139 3.004 3.297 . 0 0 "[ . 1 . 2]" 1
647 1 36 MET H 1 36 MET HG3 3.190 . 3.390 2.298 2.130 2.482 . 0 0 "[ . 1 . 2]" 1
648 1 76 MET H 1 76 MET HA 2.900 . 3.100 2.870 2.270 2.992 . 0 0 "[ . 1 . 2]" 1
649 1 18 LEU HB3 1 18 LEU MD1 3.420 . 3.620 2.279 2.181 2.364 . 0 0 "[ . 1 . 2]" 1
650 1 18 LEU HB3 1 18 LEU HG 2.420 . 2.620 2.493 2.427 2.569 . 0 0 "[ . 1 . 2]" 1
651 1 18 LEU HB3 1 18 LEU MD2 3.420 . 3.620 3.221 3.203 3.230 . 0 0 "[ . 1 . 2]" 1
652 1 18 LEU H 1 18 LEU HB3 2.970 . 3.170 2.585 2.498 3.063 . 0 0 "[ . 1 . 2]" 1
653 1 28 THR HA 1 28 THR MG 2.400 . 2.600 2.438 2.320 2.590 . 0 0 "[ . 1 . 2]" 1
654 1 81 SER H 1 81 SER HB2 3.050 . 3.250 2.519 2.271 2.965 . 0 0 "[ . 1 . 2]" 1
655 1 20 ASP H 1 20 ASP HB3 3.140 . 3.340 2.528 2.317 3.027 . 0 0 "[ . 1 . 2]" 1
656 1 47 GLU HB2 1 47 GLU QG 2.530 . 2.730 2.260 2.147 2.393 . 0 0 "[ . 1 . 2]" 1
657 1 4 LEU H 1 4 LEU HB2 3.040 . 3.240 2.295 1.994 2.788 . 0 0 "[ . 1 . 2]" 1
658 1 75 LYS H 1 75 LYS QB 2.590 . 2.790 2.298 2.155 2.541 . 0 0 "[ . 1 . 2]" 1
659 1 75 LYS HA 1 75 LYS QB 2.400 . 2.600 2.375 2.160 2.508 . 0 0 "[ . 1 . 2]" 1
660 1 63 ILE HA 1 63 ILE HB 3.000 . 3.200 3.050 3.041 3.058 . 0 0 "[ . 1 . 2]" 1
661 1 42 ASN HA 1 42 ASN HB2 2.990 . 3.190 2.468 2.275 2.831 . 0 0 "[ . 1 . 2]" 1
662 1 52 ILE HA 1 52 ILE HG13 4.100 . 4.300 3.737 2.809 3.873 . 0 0 "[ . 1 . 2]" 1
663 1 52 ILE HG13 1 52 ILE MG 3.200 . 3.400 2.564 2.426 3.269 . 0 0 "[ . 1 . 2]" 1
664 1 27 ILE HA 1 27 ILE MG 3.050 . 3.250 2.390 2.297 2.428 . 0 0 "[ . 1 . 2]" 1
665 1 2 ASP HA 1 2 ASP HB3 2.870 . 3.070 2.546 2.425 3.030 . 0 0 "[ . 1 . 2]" 1
666 1 2 ASP HA 1 2 ASP HB2 2.870 . 3.070 2.461 2.267 3.034 . 0 0 "[ . 1 . 2]" 1
667 1 16 PHE HZ 1 64 ASP HA 3.080 . 3.280 2.943 2.386 3.237 . 0 0 "[ . 1 . 2]" 1
668 1 28 THR HA 1 29 THR MG 3.730 . 3.930 3.788 3.617 3.933 0.003 1 0 "[ . 1 . 2]" 1
669 1 26 THR HA 1 26 THR HB 2.770 . 2.970 2.491 2.317 2.769 . 0 0 "[ . 1 . 2]" 1
670 1 16 PHE HZ 1 26 THR HA 2.910 . 3.110 2.216 1.951 2.947 . 0 0 "[ . 1 . 2]" 1
671 1 11 GLU H 1 12 PHE H 2.630 . 2.830 2.543 2.114 2.758 . 0 0 "[ . 1 . 2]" 1
672 1 11 GLU H 1 11 GLU HG3 3.080 . 3.280 2.950 2.272 3.419 0.139 13 0 "[ . 1 . 2]" 1
673 1 80 ASP QB 1 81 SER H 3.810 . 4.010 3.391 1.907 3.956 . 0 0 "[ . 1 . 2]" 1
674 1 3 GLN HA 1 4 LEU H 3.130 . 3.330 2.723 2.199 3.416 0.086 8 0 "[ . 1 . 2]" 1
675 1 4 LEU H 1 5 THR H 4.800 . 5.000 4.631 4.453 4.698 . 0 0 "[ . 1 . 2]" 1
676 1 4 LEU H 1 4 LEU HB3 3.040 . 3.240 2.763 2.432 3.450 0.210 7 0 "[ . 1 . 2]" 1
677 1 56 ASP H 1 56 ASP HB2 2.870 . 3.070 2.569 2.441 2.739 . 0 0 "[ . 1 . 2]" 1
678 1 75 LYS H 1 75 LYS HA 2.900 . 3.100 2.901 2.817 2.970 . 0 0 "[ . 1 . 2]" 1
679 1 12 PHE H 1 13 LYS H 2.810 . 3.010 2.669 2.477 2.834 . 0 0 "[ . 1 . 2]" 1
680 1 12 PHE H 1 12 PHE QD 5.500 . 5.700 3.377 3.054 3.925 . 0 0 "[ . 1 . 2]" 1
681 1 42 ASN H 1 42 ASN HB2 3.800 . 4.000 3.601 2.086 3.955 . 0 0 "[ . 1 . 2]" 1
682 1 42 ASN H 1 42 ASN HB3 3.800 . 4.000 2.993 2.308 3.631 . 0 0 "[ . 1 . 2]" 1
683 1 41 GLN QG 1 42 ASN H 3.810 . 4.010 3.812 3.076 4.124 0.114 10 0 "[ . 1 . 2]" 1
684 1 41 GLN HA 1 42 ASN H 2.770 . 2.970 2.397 2.140 3.072 0.102 6 0 "[ . 1 . 2]" 1
685 1 16 PHE HA 1 17 SER H 3.560 . 3.760 3.575 3.551 3.620 . 0 0 "[ . 1 . 2]" 1
686 1 17 SER H 1 17 SER HA 2.940 . 3.140 2.870 2.838 2.914 . 0 0 "[ . 1 . 2]" 1
687 1 17 SER H 1 18 LEU H 2.750 . 2.950 2.640 2.447 2.717 . 0 0 "[ . 1 . 2]" 1
688 1 17 SER H 1 17 SER QB 2.400 . 2.600 2.345 2.170 2.592 . 0 0 "[ . 1 . 2]" 1
689 1 26 THR H 1 26 THR HB 4.000 . 4.200 3.873 3.620 3.989 . 0 0 "[ . 1 . 2]" 1
690 1 25 GLY H 1 26 THR H 2.470 . 2.670 2.334 2.208 2.509 . 0 0 "[ . 1 . 2]" 1
691 1 57 ALA H 1 57 ALA MB 2.560 . 2.760 2.221 2.187 2.238 . 0 0 "[ . 1 . 2]" 1
692 1 57 ALA H 1 58 ASP H 2.640 . 2.840 2.627 2.415 2.789 . 0 0 "[ . 1 . 2]" 1
693 1 56 ASP HA 1 57 ALA H 2.520 . 2.720 2.465 2.215 2.661 . 0 0 "[ . 1 . 2]" 1
694 1 64 ASP H 1 64 ASP HB3 3.720 . 3.920 3.627 3.582 3.671 . 0 0 "[ . 1 . 2]" 1
695 1 63 ILE MG 1 64 ASP H 3.280 . 3.480 3.078 2.903 3.299 . 0 0 "[ . 1 . 2]" 1
696 1 63 ILE HA 1 64 ASP H 2.710 . 2.910 2.093 2.022 2.193 . 0 0 "[ . 1 . 2]" 1
697 1 50 ASP HA 1 54 GLU H 4.280 . 4.480 4.471 3.959 4.586 0.106 16 0 "[ . 1 . 2]" 1
698 1 53 ASN HB3 1 54 GLU H 3.320 . 3.520 3.360 2.896 3.623 0.103 17 0 "[ . 1 . 2]" 1
699 1 54 GLU H 1 54 GLU HB3 3.810 . 4.010 3.423 2.809 3.586 . 0 0 "[ . 1 . 2]" 1
700 1 54 GLU H 1 55 VAL H 2.810 . 3.010 2.761 2.669 2.845 . 0 0 "[ . 1 . 2]" 1
701 1 54 GLU H 1 54 GLU HB2 3.810 . 4.010 2.205 2.040 2.341 . 0 0 "[ . 1 . 2]" 1
702 1 54 GLU H 1 54 GLU HA 2.700 . 2.900 2.848 2.802 2.876 . 0 0 "[ . 1 . 2]" 1
703 1 53 ASN HB2 1 54 GLU H 3.320 . 3.520 3.350 2.973 3.664 0.144 5 0 "[ . 1 . 2]" 1
704 1 9 ILE MG 1 10 ALA H 3.810 . 4.010 3.497 3.296 3.647 . 0 0 "[ . 1 . 2]" 1
705 1 9 ILE HB 1 10 ALA H 2.680 . 2.880 2.757 2.600 2.900 0.020 12 0 "[ . 1 . 2]" 1
706 1 10 ALA H 1 10 ALA MB 2.400 . 2.600 2.231 2.199 2.255 . 0 0 "[ . 1 . 2]" 1
707 1 21 LYS H 1 22 ASP H 2.620 . 2.820 2.637 2.528 2.821 0.001 6 0 "[ . 1 . 2]" 1
708 1 13 LYS H 1 14 GLU H 2.780 . 2.980 2.601 2.480 2.664 . 0 0 "[ . 1 . 2]" 1
709 1 52 ILE H 1 52 ILE HB 2.540 . 2.740 2.434 2.364 2.619 . 0 0 "[ . 1 . 2]" 1
710 1 52 ILE H 1 52 ILE HG12 3.720 . 3.920 2.346 1.976 3.643 . 0 0 "[ . 1 . 2]" 1
711 1 52 ILE H 1 52 ILE HG13 3.720 . 3.920 3.443 2.346 3.632 . 0 0 "[ . 1 . 2]" 1
712 1 77 LYS H 1 77 LYS QD 5.360 . 5.560 3.978 2.007 4.497 . 0 0 "[ . 1 . 2]" 1
713 1 49 GLN H 1 49 GLN HE22 5.500 . 5.700 4.311 3.358 5.158 . 0 0 "[ . 1 . 2]" 1
714 1 49 GLN HE22 1 49 GLN QG 3.230 . 3.430 2.187 2.076 2.420 . 0 0 "[ . 1 . 2]" 1
715 1 77 LYS H 1 78 ASP H 3.120 . 3.320 2.517 1.855 2.764 . 0 0 "[ . 1 . 2]" 1
716 1 78 ASP H 1 78 ASP HB3 2.770 . 2.970 2.557 2.294 2.897 . 0 0 "[ . 1 . 2]" 1
717 1 24 ASP H 1 24 ASP HB2 3.700 . 3.900 3.654 3.618 3.702 . 0 0 "[ . 1 . 2]" 1
718 1 24 ASP H 1 24 ASP HA 2.850 . 3.050 2.918 2.888 2.957 . 0 0 "[ . 1 . 2]" 1
719 1 83 GLU H 1 84 GLU H 2.820 . 3.020 2.654 2.400 2.960 . 0 0 "[ . 1 . 2]" 1
720 1 83 GLU H 1 83 GLU QG 2.910 . 3.110 2.294 1.769 3.231 0.121 11 0 "[ . 1 . 2]" 1
721 1 3 GLN H 1 3 GLN HB2 4.000 . 4.200 3.573 2.464 3.980 . 0 0 "[ . 1 . 2]" 1
722 1 3 GLN H 1 3 GLN HB3 4.000 . 4.200 3.080 2.405 3.822 . 0 0 "[ . 1 . 2]" 1
723 1 27 ILE H 1 63 ILE HB 3.450 . 3.650 3.318 2.997 3.565 . 0 0 "[ . 1 . 2]" 1
724 1 26 THR HB 1 27 ILE H 3.120 . 3.320 3.081 2.745 3.376 0.056 8 0 "[ . 1 . 2]" 1
725 1 26 THR HA 1 27 ILE H 2.670 . 2.870 2.247 2.137 2.322 . 0 0 "[ . 1 . 2]" 1
726 1 27 ILE H 1 62 THR HB 3.750 . 3.950 3.173 2.486 3.732 . 0 0 "[ . 1 . 2]" 1
727 1 27 ILE H 1 62 THR HA 4.800 . 5.000 4.503 4.176 4.918 . 0 0 "[ . 1 . 2]" 1
728 1 27 ILE H 1 27 ILE MD 4.170 . 4.370 3.628 3.448 3.818 . 0 0 "[ . 1 . 2]" 1
729 1 27 ILE H 1 27 ILE HB 3.010 . 3.210 2.619 2.506 2.821 . 0 0 "[ . 1 . 2]" 1
730 1 27 ILE H 1 27 ILE QG 3.670 . 3.870 2.556 2.305 2.715 . 0 0 "[ . 1 . 2]" 1
731 1 38 SER H 1 38 SER QB 2.600 . 2.800 2.300 2.197 2.563 . 0 0 "[ . 1 . 2]" 1
732 1 37 ARG H 1 38 SER H 2.730 . 2.930 2.674 2.483 2.968 0.038 1 0 "[ . 1 . 2]" 1
733 1 28 THR H 1 31 GLU HB3 3.370 . 3.570 2.644 2.149 3.442 . 0 0 "[ . 1 . 2]" 1
734 1 27 ILE MG 1 28 THR H 3.170 . 3.370 2.882 2.775 3.094 . 0 0 "[ . 1 . 2]" 1
735 1 28 THR H 1 31 GLU HB2 3.370 . 3.570 2.747 2.125 3.331 . 0 0 "[ . 1 . 2]" 1
736 1 28 THR H 1 28 THR MG 2.980 . 3.180 2.290 2.072 2.529 . 0 0 "[ . 1 . 2]" 1
737 1 27 ILE HA 1 28 THR H 2.460 . 2.660 2.208 2.173 2.250 . 0 0 "[ . 1 . 2]" 1
738 1 79 THR H 1 79 THR MG 4.160 . 4.360 2.661 2.257 3.420 . 0 0 "[ . 1 . 2]" 1
739 1 73 ALA H 1 73 ALA HA 2.930 . 3.130 2.869 2.822 2.939 . 0 0 "[ . 1 . 2]" 1
740 1 73 ALA H 1 73 ALA MB 2.480 . 2.680 2.234 2.213 2.266 . 0 0 "[ . 1 . 2]" 1
741 1 30 LYS H 1 30 LYS QB 2.440 . 2.640 2.137 2.036 2.239 . 0 0 "[ . 1 . 2]" 1
742 1 29 THR H 1 30 LYS H 2.830 . 3.030 2.710 2.563 2.903 . 0 0 "[ . 1 . 2]" 1
743 1 48 LEU H 1 48 LEU MD2 3.910 . 4.110 2.783 2.246 3.223 . 0 0 "[ . 1 . 2]" 1
744 1 47 GLU HB3 1 48 LEU H 3.810 . 4.010 3.704 3.273 3.920 . 0 0 "[ . 1 . 2]" 1
745 1 48 LEU H 1 48 LEU MD1 3.910 . 4.110 4.124 3.810 4.282 0.172 19 0 "[ . 1 . 2]" 1
746 1 48 LEU H 1 48 LEU HA 2.810 . 3.010 2.859 2.812 2.888 . 0 0 "[ . 1 . 2]" 1
747 1 47 GLU HB2 1 48 LEU H 3.810 . 4.010 2.797 2.610 4.168 0.158 2 0 "[ . 1 . 2]" 1
748 1 47 GLU H 1 48 LEU H 2.750 . 2.950 2.462 2.353 2.580 . 0 0 "[ . 1 . 2]" 1
749 1 16 PHE H 1 17 SER H 2.980 . 3.180 2.621 2.508 2.732 . 0 0 "[ . 1 . 2]" 1
750 1 15 ALA MB 1 16 PHE H 2.870 . 3.070 2.690 2.621 2.931 . 0 0 "[ . 1 . 2]" 1
751 1 16 PHE H 1 16 PHE QD 5.500 . 5.700 4.190 4.115 4.221 . 0 0 "[ . 1 . 2]" 1
752 1 16 PHE H 1 16 PHE HA 2.750 . 2.950 2.875 2.841 2.898 . 0 0 "[ . 1 . 2]" 1
753 1 12 PHE QD 1 16 PHE H 4.800 . 5.000 4.775 3.932 5.088 0.088 13 0 "[ . 1 . 2]" 1
754 1 5 THR H 1 5 THR HA 2.790 . 2.990 2.898 2.835 2.984 . 0 0 "[ . 1 . 2]" 1
755 1 82 GLU H 1 82 GLU QG 3.790 . 3.990 2.739 2.100 4.106 0.116 14 0 "[ . 1 . 2]" 1
756 1 82 GLU H 1 82 GLU QB 2.960 . 3.160 2.409 2.051 2.955 . 0 0 "[ . 1 . 2]" 1
757 1 38 SER QB 1 39 LEU H 3.400 . 3.600 2.841 2.564 3.635 0.035 1 0 "[ . 1 . 2]" 1
758 1 37 ARG HA 1 39 LEU H 3.710 . 3.910 3.803 3.518 3.943 0.033 10 0 "[ . 1 . 2]" 1
759 1 38 SER H 1 39 LEU H 2.740 . 2.940 2.638 2.414 2.834 . 0 0 "[ . 1 . 2]" 1
760 1 39 LEU H 1 39 LEU MD2 4.800 . 5.000 3.830 2.587 4.395 . 0 0 "[ . 1 . 2]" 1
761 1 39 LEU H 1 39 LEU MD1 4.800 . 5.000 4.133 3.033 4.423 . 0 0 "[ . 1 . 2]" 1
762 1 34 THR H 1 34 THR HB 2.510 . 2.710 2.611 2.573 2.717 0.007 6 0 "[ . 1 . 2]" 1
763 1 34 THR H 1 35 VAL H 2.730 . 2.930 2.697 2.574 2.804 . 0 0 "[ . 1 . 2]" 1
764 1 60 ASN H 1 60 ASN HD22 3.830 . 4.030 3.552 3.301 3.850 . 0 0 "[ . 1 . 2]" 1
765 1 60 ASN H 1 60 ASN HA 2.860 . 3.060 2.916 2.887 2.978 . 0 0 "[ . 1 . 2]" 1
766 1 60 ASN H 1 61 GLY H 2.510 . 2.710 2.524 2.262 2.681 . 0 0 "[ . 1 . 2]" 1
767 1 60 ASN H 1 60 ASN HD21 3.830 . 4.030 3.954 3.762 4.085 0.055 1 0 "[ . 1 . 2]" 1
768 1 42 ASN H 1 42 ASN HD22 5.490 . 5.690 3.938 1.847 5.058 . 0 0 "[ . 1 . 2]" 1
769 1 42 ASN HA 1 42 ASN HD22 5.440 . 5.640 4.212 3.444 4.490 . 0 0 "[ . 1 . 2]" 1
770 1 64 ASP HB3 1 65 PHE H 2.820 . 3.020 2.476 2.346 2.656 . 0 0 "[ . 1 . 2]" 1
771 1 64 ASP HA 1 65 PHE H 2.990 . 3.190 2.550 2.475 2.614 . 0 0 "[ . 1 . 2]" 1
772 1 44 THR MG 1 45 GLU H 3.110 . 3.310 2.471 2.105 3.340 0.030 9 0 "[ . 1 . 2]" 1
773 1 45 GLU H 1 45 GLU HA 2.740 . 2.940 2.844 2.818 2.866 . 0 0 "[ . 1 . 2]" 1
774 1 45 GLU H 1 45 GLU HB3 2.920 . 3.120 2.688 2.525 3.043 . 0 0 "[ . 1 . 2]" 1
775 1 45 GLU H 1 45 GLU HB2 2.920 . 3.120 2.327 2.044 2.457 . 0 0 "[ . 1 . 2]" 1
776 1 13 LYS H 1 13 LYS HD2 4.800 . 5.000 4.234 3.641 4.762 . 0 0 "[ . 1 . 2]" 1
777 1 13 LYS H 1 13 LYS HD3 4.800 . 5.000 4.579 3.634 5.016 0.016 1 0 "[ . 1 . 2]" 1
778 1 11 GLU HA 1 13 LYS H 4.280 . 4.480 4.083 3.774 4.416 . 0 0 "[ . 1 . 2]" 1
779 1 6 GLU H 1 6 GLU HG3 4.280 . 4.480 3.057 2.158 3.723 . 0 0 "[ . 1 . 2]" 1
780 1 6 GLU H 1 6 GLU HG2 4.280 . 4.480 2.695 2.054 3.746 . 0 0 "[ . 1 . 2]" 1
781 1 5 THR MG 1 6 GLU H 3.810 . 4.010 3.264 2.359 3.894 . 0 0 "[ . 1 . 2]" 1
782 1 5 THR HB 1 6 GLU H 3.230 . 3.430 2.874 2.099 3.491 0.061 3 0 "[ . 1 . 2]" 1
783 1 6 GLU H 1 7 GLU H 2.720 . 2.920 2.734 2.557 2.931 0.011 15 0 "[ . 1 . 2]" 1
784 1 61 GLY H 1 61 GLY HA3 2.900 . 3.100 2.944 2.932 2.959 . 0 0 "[ . 1 . 2]" 1
785 1 61 GLY H 1 62 THR H 2.520 . 2.720 2.449 2.247 2.743 0.023 16 0 "[ . 1 . 2]" 1
786 1 55 VAL H 1 56 ASP H 2.520 . 2.720 2.030 1.905 2.266 . 0 0 "[ . 1 . 2]" 1
787 1 31 GLU H 1 31 GLU HB3 3.030 . 3.230 2.829 2.500 3.408 0.178 2 0 "[ . 1 . 2]" 1
788 1 31 GLU H 1 31 GLU HB2 3.030 . 3.230 2.255 2.022 2.468 . 0 0 "[ . 1 . 2]" 1
789 1 30 LYS QB 1 31 GLU H 2.590 . 2.790 2.727 2.518 2.844 0.054 1 0 "[ . 1 . 2]" 1
790 1 31 GLU H 1 32 LEU H 2.830 . 3.030 2.651 2.548 2.734 . 0 0 "[ . 1 . 2]" 1
791 1 42 ASN H 1 42 ASN HD21 5.490 . 5.690 4.438 3.117 5.818 0.128 7 0 "[ . 1 . 2]" 1
792 1 49 GLN H 1 49 GLN HE21 5.500 . 5.700 5.372 4.780 5.737 0.037 14 0 "[ . 1 . 2]" 1
793 1 45 GLU H 1 46 ALA H 3.270 . 3.470 2.725 2.621 2.864 . 0 0 "[ . 1 . 2]" 1
794 1 49 GLN H 1 49 GLN QB 2.470 . 2.670 2.391 2.304 2.558 . 0 0 "[ . 1 . 2]" 1
795 1 49 GLN H 1 49 GLN HA 2.930 . 3.130 2.824 2.773 2.866 . 0 0 "[ . 1 . 2]" 1
796 1 49 GLN H 1 49 GLN QG 2.790 . 2.990 2.325 2.155 2.491 . 0 0 "[ . 1 . 2]" 1
797 1 58 ASP H 1 58 ASP HB2 3.810 . 4.010 3.278 2.594 3.638 . 0 0 "[ . 1 . 2]" 1
798 1 57 ALA MB 1 58 ASP H 2.780 . 2.980 2.790 2.536 3.039 0.059 8 0 "[ . 1 . 2]" 1
799 1 58 ASP H 1 58 ASP HA 2.850 . 3.050 2.892 2.844 2.957 . 0 0 "[ . 1 . 2]" 1
800 1 58 ASP H 1 59 GLY H 2.400 . 2.600 2.560 2.285 2.634 0.034 11 0 "[ . 1 . 2]" 1
801 1 58 ASP H 1 58 ASP HB3 3.810 . 4.010 3.107 2.607 3.630 . 0 0 "[ . 1 . 2]" 1
802 1 52 ILE HB 1 53 ASN H 2.880 . 3.080 2.537 2.264 2.789 . 0 0 "[ . 1 . 2]" 1
803 1 53 ASN H 1 53 ASN HB3 4.000 . 4.200 3.324 2.855 3.553 . 0 0 "[ . 1 . 2]" 1
804 1 53 ASN H 1 54 GLU H 2.820 . 3.020 2.692 2.554 2.790 . 0 0 "[ . 1 . 2]" 1
805 1 53 ASN H 1 53 ASN HA 2.880 . 3.080 2.861 2.828 2.881 . 0 0 "[ . 1 . 2]" 1
806 1 53 ASN H 1 53 ASN HB2 4.000 . 4.200 2.144 2.064 2.269 . 0 0 "[ . 1 . 2]" 1
807 1 79 THR H 1 80 ASP H 3.120 . 3.320 2.568 2.092 3.392 0.072 3 0 "[ . 1 . 2]" 1
808 1 80 ASP H 1 80 ASP QB 3.230 . 3.430 2.446 2.068 3.439 0.009 12 0 "[ . 1 . 2]" 1
809 1 79 THR MG 1 80 ASP H 4.170 . 4.370 4.091 3.819 4.429 0.059 6 0 "[ . 1 . 2]" 1
810 1 34 THR HB 1 35 VAL H 2.920 . 3.120 2.658 2.511 2.814 . 0 0 "[ . 1 . 2]" 1
811 1 35 VAL H 1 35 VAL HB 2.680 . 2.880 2.574 2.475 2.896 0.016 6 0 "[ . 1 . 2]" 1
812 1 35 VAL H 1 35 VAL MG2 4.490 . 4.690 2.114 1.913 2.260 . 0 0 "[ . 1 . 2]" 1
813 1 34 THR MG 1 35 VAL H 3.440 . 3.640 3.671 3.550 3.837 0.197 6 0 "[ . 1 . 2]" 1
814 1 35 VAL H 1 35 VAL MG1 4.490 . 4.690 3.803 3.784 3.859 . 0 0 "[ . 1 . 2]" 1
815 1 71 MET H 1 72 MET H 2.980 . 3.180 2.753 2.632 2.838 . 0 0 "[ . 1 . 2]" 1
816 1 15 ALA HA 1 18 LEU H 3.160 . 3.360 3.294 3.097 3.407 0.047 19 0 "[ . 1 . 2]" 1
817 1 18 LEU H 1 18 LEU HB2 2.970 . 3.170 2.339 2.020 2.503 . 0 0 "[ . 1 . 2]" 1
818 1 84 GLU H 1 84 GLU HB2 3.430 . 3.630 2.749 2.011 3.694 0.064 15 0 "[ . 1 . 2]" 1
819 1 84 GLU H 1 84 GLU QG 3.970 . 4.170 2.987 2.062 3.962 . 0 0 "[ . 1 . 2]" 1
820 1 33 GLY H 1 34 THR H 2.760 . 2.960 2.756 2.691 2.819 . 0 0 "[ . 1 . 2]" 1
821 1 33 GLY H 1 33 GLY HA3 2.880 . 3.080 2.298 2.284 2.306 . 0 0 "[ . 1 . 2]" 1
822 1 33 GLY H 1 33 GLY HA2 2.880 . 3.080 2.835 2.802 2.861 . 0 0 "[ . 1 . 2]" 1
823 1 62 THR HA 1 63 ILE H 2.830 . 3.030 2.215 2.139 2.315 . 0 0 "[ . 1 . 2]" 1
824 1 63 ILE H 1 63 ILE MD 3.310 . 3.510 3.295 2.362 3.610 0.100 20 0 "[ . 1 . 2]" 1
825 1 27 ILE H 1 63 ILE H 3.180 . 3.380 3.031 2.756 3.269 . 0 0 "[ . 1 . 2]" 1
826 1 63 ILE H 1 63 ILE QG 3.430 . 3.630 2.416 2.175 2.775 . 0 0 "[ . 1 . 2]" 1
827 1 29 THR H 1 29 THR MG 2.560 . 2.760 2.121 1.943 2.218 . 0 0 "[ . 1 . 2]" 1
828 1 28 THR HA 1 29 THR H 2.400 . 2.600 2.486 2.437 2.550 . 0 0 "[ . 1 . 2]" 1
829 1 67 GLU H 1 68 PHE H 2.960 . 3.160 2.438 2.376 2.507 . 0 0 "[ . 1 . 2]" 1
830 1 37 ARG HA 1 40 GLY H 2.860 . 3.060 3.026 2.579 3.189 0.129 1 0 "[ . 1 . 2]" 1
831 1 39 LEU H 1 40 GLY H 2.680 . 2.880 2.405 1.962 2.659 . 0 0 "[ . 1 . 2]" 1
832 1 72 MET H 1 72 MET ME 3.800 . 4.000 3.556 2.966 4.084 0.084 15 0 "[ . 1 . 2]" 1
833 1 85 ILE H 1 85 ILE HB 2.600 . 2.800 2.520 2.322 2.647 . 0 0 "[ . 1 . 2]" 1
834 1 85 ILE H 1 85 ILE QG 3.120 . 3.320 2.139 1.994 2.393 . 0 0 "[ . 1 . 2]" 1
835 1 85 ILE H 1 85 ILE MD 4.200 . 4.400 3.309 3.077 3.711 . 0 0 "[ . 1 . 2]" 1
836 1 74 ARG H 1 74 ARG HA 2.760 . 2.960 2.885 2.842 2.925 . 0 0 "[ . 1 . 2]" 1
837 1 74 ARG H 1 74 ARG QD 5.500 . 5.700 3.986 3.215 4.633 . 0 0 "[ . 1 . 2]" 1
838 1 74 ARG H 1 74 ARG QB 2.560 . 2.760 2.304 2.042 2.552 . 0 0 "[ . 1 . 2]" 1
839 1 73 ALA H 1 74 ARG H 2.820 . 3.020 2.623 2.341 2.765 . 0 0 "[ . 1 . 2]" 1
840 1 20 ASP H 1 20 ASP HB2 3.140 . 3.340 2.667 2.160 2.961 . 0 0 "[ . 1 . 2]" 1
841 1 20 ASP H 1 27 ILE MD 3.360 . 3.560 3.566 3.447 3.654 0.094 1 0 "[ . 1 . 2]" 1
842 1 19 PHE HA 1 20 ASP H 3.540 . 3.740 3.589 3.553 3.614 . 0 0 "[ . 1 . 2]" 1
843 1 19 PHE H 1 20 ASP H 2.630 . 2.830 2.458 2.239 2.683 . 0 0 "[ . 1 . 2]" 1
844 1 27 ILE MG 1 32 LEU H 2.910 . 3.110 2.716 2.385 2.971 . 0 0 "[ . 1 . 2]" 1
845 1 7 GLU H 1 7 GLU HB2 2.840 . 3.040 2.445 2.326 2.613 . 0 0 "[ . 1 . 2]" 1
846 1 7 GLU H 1 7 GLU HB3 2.840 . 3.040 2.551 2.281 2.719 . 0 0 "[ . 1 . 2]" 1
847 1 44 THR H 1 44 THR MG 3.810 . 4.010 3.410 2.021 3.875 . 0 0 "[ . 1 . 2]" 1
848 1 43 PRO QG 1 44 THR H 4.800 . 5.000 4.279 4.000 4.540 . 0 0 "[ . 1 . 2]" 1
849 1 44 THR H 1 44 THR HB 2.590 . 2.790 2.692 2.536 2.913 0.123 3 0 "[ . 1 . 2]" 1
850 1 24 ASP H 1 25 GLY H 2.540 . 2.740 2.485 2.308 2.658 . 0 0 "[ . 1 . 2]" 1
851 1 62 THR H 1 62 THR MG 2.820 . 3.020 2.983 2.874 3.087 0.067 1 0 "[ . 1 . 2]" 1
852 1 23 GLY H 1 24 ASP H 2.710 . 2.910 2.622 2.421 2.880 . 0 0 "[ . 1 . 2]" 1
853 1 22 ASP HB3 1 23 GLY H 4.800 . 5.000 4.263 4.174 4.505 . 0 0 "[ . 1 . 2]" 1
854 1 22 ASP HB2 1 23 GLY H 4.800 . 5.000 4.014 3.832 4.252 . 0 0 "[ . 1 . 2]" 1
855 1 22 ASP H 1 23 GLY H 2.400 . 2.600 2.473 2.344 2.604 0.004 11 0 "[ . 1 . 2]" 1
856 1 22 ASP H 1 22 ASP HB3 3.810 . 4.010 2.788 2.585 2.967 . 0 0 "[ . 1 . 2]" 1
857 1 22 ASP H 1 22 ASP HA 2.890 . 3.090 2.925 2.886 2.973 . 0 0 "[ . 1 . 2]" 1
858 1 22 ASP H 1 22 ASP HB2 3.810 . 4.010 3.620 3.524 3.734 . 0 0 "[ . 1 . 2]" 1
859 1 14 GLU H 1 15 ALA H 2.660 . 2.860 2.457 2.273 2.614 . 0 0 "[ . 1 . 2]" 1
860 1 15 ALA H 1 15 ALA MB 2.430 . 2.630 2.241 2.221 2.256 . 0 0 "[ . 1 . 2]" 1
861 1 15 ALA H 1 16 PHE H 2.880 . 3.080 2.649 2.486 2.782 . 0 0 "[ . 1 . 2]" 1
862 1 12 PHE HA 1 15 ALA H 3.340 . 3.540 2.993 2.742 3.173 . 0 0 "[ . 1 . 2]" 1
863 1 12 PHE QD 1 15 ALA H 5.500 . 5.700 4.617 4.074 5.009 . 0 0 "[ . 1 . 2]" 1
864 1 69 LEU H 1 70 THR H 3.080 . 3.280 2.614 2.481 2.714 . 0 0 "[ . 1 . 2]" 1
865 1 70 THR H 1 70 THR MG 4.240 . 4.440 3.783 3.766 3.814 . 0 0 "[ . 1 . 2]" 1
866 1 70 THR H 1 70 THR HA 2.940 . 3.140 2.866 2.828 2.905 . 0 0 "[ . 1 . 2]" 1
867 1 8 GLN H 1 8 GLN QG 2.910 . 3.110 2.440 2.074 2.810 . 0 0 "[ . 1 . 2]" 1
868 1 7 GLU H 1 8 GLN H 2.710 . 2.910 2.703 2.570 2.843 . 0 0 "[ . 1 . 2]" 1
869 1 8 GLN H 1 9 ILE H 2.730 . 2.930 2.568 2.416 2.747 . 0 0 "[ . 1 . 2]" 1
870 1 51 MET H 1 51 MET HG3 3.220 . 3.420 2.836 2.177 3.520 0.100 15 0 "[ . 1 . 2]" 1
871 1 51 MET H 1 51 MET HB3 3.670 . 3.870 3.598 3.569 3.630 . 0 0 "[ . 1 . 2]" 1
872 1 51 MET H 1 51 MET HB2 3.670 . 3.870 2.448 2.357 2.565 . 0 0 "[ . 1 . 2]" 1
873 1 51 MET H 1 51 MET HA 2.910 . 3.110 2.894 2.854 2.949 . 0 0 "[ . 1 . 2]" 1
874 1 51 MET H 1 51 MET ME 3.810 . 4.010 3.514 3.149 3.983 . 0 0 "[ . 1 . 2]" 1
875 1 41 GLN H 1 41 GLN QG 2.810 . 3.010 2.276 1.880 3.159 0.149 10 0 "[ . 1 . 2]" 1
876 1 46 ALA H 1 47 GLU H 2.770 . 2.970 2.685 2.565 2.798 . 0 0 "[ . 1 . 2]" 1
877 1 36 MET H 1 36 MET HB3 3.810 . 4.010 3.625 3.587 3.644 . 0 0 "[ . 1 . 2]" 1
878 1 36 MET H 1 36 MET HB2 3.810 . 4.010 2.502 2.438 2.547 . 0 0 "[ . 1 . 2]" 1
879 1 35 VAL H 1 36 MET H 2.840 . 3.040 2.580 2.407 2.727 . 0 0 "[ . 1 . 2]" 1
880 1 37 ARG H 1 37 ARG HA 2.870 . 3.070 2.874 2.834 2.923 . 0 0 "[ . 1 . 2]" 1
881 1 37 ARG H 1 37 ARG QB 2.400 . 2.600 2.151 1.995 2.569 . 0 0 "[ . 1 . 2]" 1
882 1 9 ILE H 1 10 ALA H 2.660 . 2.860 2.609 2.385 2.703 . 0 0 "[ . 1 . 2]" 1
883 1 9 ILE H 1 9 ILE MD 4.800 . 5.000 3.510 3.360 3.950 . 0 0 "[ . 1 . 2]" 1
884 1 44 THR H 1 47 GLU H 3.720 . 3.920 3.787 3.515 3.965 0.045 10 0 "[ . 1 . 2]" 1
885 1 23 GLY QA 1 24 ASP H 3.070 . 3.270 2.867 2.774 2.926 . 0 0 "[ . 1 . 2]" 1
886 1 68 PHE H 1 69 LEU H 3.100 . 3.300 2.672 2.576 2.787 . 0 0 "[ . 1 . 2]" 1
887 1 41 GLN QB 1 42 ASN H 3.810 . 4.010 2.773 1.980 4.033 0.023 10 0 "[ . 1 . 2]" 1
888 1 52 ILE H 1 53 ASN H 3.000 . 3.200 2.704 2.523 2.829 . 0 0 "[ . 1 . 2]" 1
889 1 71 MET HA 1 74 ARG H 3.640 . 3.840 3.625 3.247 3.930 0.090 20 0 "[ . 1 . 2]" 1
890 1 70 THR HA 1 73 ALA H 3.600 . 3.800 3.470 3.053 3.862 0.062 10 0 "[ . 1 . 2]" 1
891 1 81 SER H 1 82 GLU H 3.690 . 3.890 2.605 2.209 3.205 . 0 0 "[ . 1 . 2]" 1
892 1 27 ILE MD 1 68 PHE QD 3.590 . 3.790 2.862 2.468 3.781 . 0 0 "[ . 1 . 2]" 1
893 1 65 PHE HA 1 65 PHE QD 3.000 . 3.200 2.486 1.959 3.079 . 0 0 "[ . 1 . 2]" 1
894 1 19 PHE QD 1 27 ILE MD 3.120 . 3.320 2.994 2.439 3.360 0.040 6 0 "[ . 1 . 2]" 1
895 1 19 PHE QD 1 27 ILE MG 3.530 . 3.730 3.447 2.730 3.848 0.118 10 0 "[ . 1 . 2]" 1
896 1 19 PHE HA 1 19 PHE QD 3.680 . 3.880 2.905 2.565 3.131 . 0 0 "[ . 1 . 2]" 1
897 1 13 LYS HA 1 65 PHE QE 3.050 . 3.250 2.455 2.005 3.321 0.071 3 0 "[ . 1 . 2]" 1
898 1 16 PHE QD 1 27 ILE MD 2.790 . 2.990 2.949 2.779 3.131 0.141 11 0 "[ . 1 . 2]" 1
899 1 12 PHE QD 1 15 ALA MB 3.100 . 3.300 2.745 2.243 3.350 0.050 20 0 "[ . 1 . 2]" 1
900 1 63 ILE MG 1 68 PHE QD 3.440 . 3.640 2.624 2.267 3.122 . 0 0 "[ . 1 . 2]" 1
901 1 9 ILE QG 1 12 PHE QD 3.890 . 4.090 3.863 3.178 4.262 0.172 5 0 "[ . 1 . 2]" 1
902 1 9 ILE HA 1 12 PHE QD 3.270 . 3.470 2.705 2.019 3.517 0.047 8 0 "[ . 1 . 2]" 1
903 1 12 PHE QE 1 72 MET ME 3.180 . 3.380 2.835 2.154 3.494 0.114 16 0 "[ . 1 . 2]" 1
904 1 16 PHE QE 1 64 ASP HA 3.490 . 3.690 3.394 3.060 3.728 0.038 20 0 "[ . 1 . 2]" 1
905 1 16 PHE QE 1 63 ILE MG 3.720 . 3.920 2.868 2.438 3.242 . 0 0 "[ . 1 . 2]" 1
906 1 19 PHE QD 1 32 LEU HA 2.940 . 3.140 2.547 2.004 3.138 . 0 0 "[ . 1 . 2]" 1
907 1 2 ASP HA 1 2 ASP QB 2.330 . 2.530 2.211 2.153 2.461 . 0 0 "[ . 1 . 2]" 1
908 1 3 GLN H 1 3 GLN QB 3.390 . 3.590 2.833 2.321 3.290 . 0 0 "[ . 1 . 2]" 1
909 1 3 GLN H 1 3 GLN QG 3.840 . 4.040 2.589 1.964 4.114 0.074 11 0 "[ . 1 . 2]" 1
910 1 3 GLN HA 1 3 GLN QB 2.640 . 2.840 2.221 2.140 2.466 . 0 0 "[ . 1 . 2]" 1
911 1 3 GLN QB 1 3 GLN QG 2.060 . 2.260 2.085 2.027 2.121 . 0 0 "[ . 1 . 2]" 1
912 1 3 GLN QG 1 4 LEU H 3.610 . 3.810 3.403 2.453 3.869 0.059 6 0 "[ . 1 . 2]" 1
913 1 4 LEU H 1 4 LEU QB 2.540 . 2.740 2.160 1.973 2.365 . 0 0 "[ . 1 . 2]" 1
914 1 4 LEU H 1 4 LEU QD 4.760 . 4.960 3.595 3.063 3.860 . 0 0 "[ . 1 . 2]" 1
915 1 4 LEU HA 1 4 LEU QB 2.630 . 2.830 2.448 2.381 2.554 . 0 0 "[ . 1 . 2]" 1
916 1 4 LEU QB 1 4 LEU HG 2.360 . 2.560 2.375 2.158 2.436 . 0 0 "[ . 1 . 2]" 1
917 1 4 LEU QB 1 4 LEU QD 2.010 . 2.210 1.939 1.912 2.075 . 0 0 "[ . 1 . 2]" 1
918 1 4 LEU QD 1 5 THR H 3.060 . 3.260 2.597 1.951 3.364 0.104 7 0 "[ . 1 . 2]" 1
919 1 4 LEU QD 1 12 PHE QD 3.030 . 3.230 2.702 2.060 3.722 0.492 20 0 "[ . 1 . 2]" 1
920 1 4 LEU QD 1 12 PHE QE 3.000 . 3.200 2.525 2.028 3.430 0.230 20 0 "[ . 1 . 2]" 1
921 1 7 GLU H 1 7 GLU QB 2.280 . 2.480 2.216 2.146 2.286 . 0 0 "[ . 1 . 2]" 1
922 1 7 GLU HA 1 7 GLU QB 2.310 . 2.510 2.389 2.320 2.430 . 0 0 "[ . 1 . 2]" 1
923 1 7 GLU HA 1 7 GLU QG 3.000 . 3.200 2.452 2.276 2.942 . 0 0 "[ . 1 . 2]" 1
924 1 11 GLU H 1 11 GLU QB 2.680 . 2.880 2.406 2.273 2.509 . 0 0 "[ . 1 . 2]" 1
925 1 11 GLU HA 1 11 GLU QG 2.790 . 2.990 2.497 2.236 2.927 . 0 0 "[ . 1 . 2]" 1
926 1 11 GLU QB 1 12 PHE H 2.990 . 3.190 2.766 2.450 3.135 . 0 0 "[ . 1 . 2]" 1
927 1 12 PHE H 1 12 PHE QB 2.700 . 2.900 2.206 2.021 2.355 . 0 0 "[ . 1 . 2]" 1
928 1 12 PHE HA 1 12 PHE QB 2.600 . 2.800 2.482 2.420 2.546 . 0 0 "[ . 1 . 2]" 1
929 1 12 PHE QB 1 13 LYS H 3.110 . 3.310 2.942 2.673 3.195 . 0 0 "[ . 1 . 2]" 1
930 1 12 PHE QB 1 69 LEU QD 2.890 . 3.090 2.599 2.056 3.017 . 0 0 "[ . 1 . 2]" 1
931 1 12 PHE QD 1 69 LEU QD 2.670 . 2.870 2.672 2.261 2.924 0.054 16 0 "[ . 1 . 2]" 1
932 1 12 PHE QE 1 69 LEU QD 3.330 . 3.530 3.112 2.772 3.602 0.072 1 0 "[ . 1 . 2]" 1
933 1 13 LYS H 1 13 LYS QG 3.900 . 4.100 2.598 2.166 3.954 . 0 0 "[ . 1 . 2]" 1
934 1 13 LYS QB 1 13 LYS QD 2.760 . 2.960 2.199 2.045 2.348 . 0 0 "[ . 1 . 2]" 1
935 1 13 LYS QD 1 13 LYS QG 2.050 . 2.250 2.060 2.015 2.113 . 0 0 "[ . 1 . 2]" 1
936 1 13 LYS QE 1 13 LYS QG 2.300 . 2.500 2.278 2.070 2.552 0.052 19 0 "[ . 1 . 2]" 1
937 1 13 LYS QD 1 13 LYS QE 2.270 . 2.470 2.091 2.016 2.118 . 0 0 "[ . 1 . 2]" 1
938 1 14 GLU H 1 14 GLU QB 2.310 . 2.510 2.248 2.141 2.291 . 0 0 "[ . 1 . 2]" 1
939 1 14 GLU QB 1 15 ALA H 2.760 . 2.960 2.713 2.506 2.985 0.025 17 0 "[ . 1 . 2]" 1
940 1 16 PHE H 1 16 PHE QB 2.900 . 3.100 2.224 2.193 2.268 . 0 0 "[ . 1 . 2]" 1
941 1 16 PHE HA 1 16 PHE QB 2.480 . 2.680 2.401 2.374 2.440 . 0 0 "[ . 1 . 2]" 1
942 1 16 PHE QD 1 68 PHE QB 3.150 . 3.350 2.357 2.138 2.648 . 0 0 "[ . 1 . 2]" 1
943 1 18 LEU H 1 18 LEU QB 2.520 . 2.720 2.162 1.994 2.240 . 0 0 "[ . 1 . 2]" 1
944 1 18 LEU HA 1 18 LEU QD 2.230 . 2.430 2.153 1.976 2.215 . 0 0 "[ . 1 . 2]" 1
945 1 18 LEU QB 1 18 LEU QD 2.100 . 2.300 2.055 2.031 2.065 . 0 0 "[ . 1 . 2]" 1
946 1 18 LEU QB 1 19 PHE H 2.950 . 3.150 2.573 2.430 2.838 . 0 0 "[ . 1 . 2]" 1
947 1 18 LEU QD 1 19 PHE QD 3.450 . 3.650 3.399 2.831 4.358 0.708 15 1 "[ . 1 + 2]" 1
948 1 19 PHE HA 1 35 VAL QG 3.180 . 3.380 2.044 1.861 2.624 . 0 0 "[ . 1 . 2]" 1
949 1 19 PHE QB 1 32 LEU QD 3.400 . 3.600 3.344 2.720 3.921 0.321 2 0 "[ . 1 . 2]" 1
950 1 19 PHE QD 1 35 VAL QG 3.380 . 3.580 2.350 2.068 2.702 . 0 0 "[ . 1 . 2]" 1
951 1 19 PHE QE 1 32 LEU QD 3.180 . 3.380 2.659 2.255 3.305 . 0 0 "[ . 1 . 2]" 1
952 1 20 ASP HA 1 20 ASP QB 2.600 . 2.800 2.368 2.287 2.532 . 0 0 "[ . 1 . 2]" 1
953 1 20 ASP QB 1 27 ILE MG 3.520 . 3.720 3.705 3.309 3.982 0.262 9 0 "[ . 1 . 2]" 1
954 1 21 LYS H 1 21 LYS QD 2.720 . 2.920 2.318 2.113 2.560 . 0 0 "[ . 1 . 2]" 1
955 1 21 LYS HA 1 21 LYS QD 2.580 . 2.780 2.798 2.583 2.923 0.143 16 0 "[ . 1 . 2]" 1
956 1 22 ASP H 1 22 ASP QB 3.220 . 3.420 2.700 2.532 2.854 . 0 0 "[ . 1 . 2]" 1
957 1 24 ASP H 1 24 ASP QB 3.010 . 3.210 2.546 2.405 2.694 . 0 0 "[ . 1 . 2]" 1
958 1 24 ASP HA 1 24 ASP QB 2.400 . 2.600 2.172 2.138 2.190 . 0 0 "[ . 1 . 2]" 1
959 1 25 GLY H 1 25 GLY QA 2.500 . 2.700 2.292 2.258 2.321 . 0 0 "[ . 1 . 2]" 1
960 1 27 ILE MG 1 31 GLU QB 2.530 . 2.730 2.332 2.087 2.796 0.066 5 0 "[ . 1 . 2]" 1
961 1 28 THR H 1 31 GLU QB 2.800 . 3.000 2.233 2.085 2.547 . 0 0 "[ . 1 . 2]" 1
962 1 29 THR MG 1 48 LEU QB 3.960 . 4.160 3.635 2.959 4.257 0.097 18 0 "[ . 1 . 2]" 1
963 1 29 THR MG 1 48 LEU QD 5.440 . 5.640 3.671 3.082 4.884 . 0 0 "[ . 1 . 2]" 1
964 1 30 LYS H 1 30 LYS QG 3.840 . 4.040 3.673 3.568 3.822 . 0 0 "[ . 1 . 2]" 1
965 1 30 LYS H 1 30 LYS QD 2.750 . 2.950 2.439 2.096 2.888 . 0 0 "[ . 1 . 2]" 1
966 1 30 LYS HA 1 30 LYS QG 2.710 . 2.910 2.444 2.333 2.543 . 0 0 "[ . 1 . 2]" 1
967 1 30 LYS HA 1 30 LYS QD 2.470 . 2.670 2.430 2.223 2.807 0.137 17 0 "[ . 1 . 2]" 1
968 1 30 LYS HA 1 48 LEU QD 4.080 . 4.280 4.236 3.583 4.520 0.240 8 0 "[ . 1 . 2]" 1
969 1 30 LYS QB 1 30 LYS QG 2.310 . 2.510 2.010 2.000 2.021 . 0 0 "[ . 1 . 2]" 1
970 1 30 LYS QB 1 30 LYS QD 2.340 . 2.540 2.364 2.224 2.434 . 0 0 "[ . 1 . 2]" 1
971 1 30 LYS QD 1 30 LYS QG 2.060 . 2.260 2.102 2.066 2.115 . 0 0 "[ . 1 . 2]" 1
972 1 30 LYS QE 1 30 LYS QG 3.180 . 3.380 2.282 2.084 2.424 . 0 0 "[ . 1 . 2]" 1
973 1 31 GLU H 1 31 GLU QB 2.520 . 2.720 2.133 2.005 2.255 . 0 0 "[ . 1 . 2]" 1
974 1 32 LEU H 1 32 LEU QD 3.800 . 4.000 3.714 3.646 3.800 . 0 0 "[ . 1 . 2]" 1
975 1 32 LEU HA 1 32 LEU QD 2.640 . 2.840 2.379 2.129 2.996 0.156 3 0 "[ . 1 . 2]" 1
976 1 32 LEU QB 1 32 LEU QD 2.350 . 2.550 1.946 1.872 2.079 . 0 0 "[ . 1 . 2]" 1
977 1 32 LEU QB 1 33 GLY H 3.300 . 3.500 2.534 2.335 2.725 . 0 0 "[ . 1 . 2]" 1
978 1 33 GLY H 1 33 GLY QA 2.450 . 2.650 2.204 2.188 2.213 . 0 0 "[ . 1 . 2]" 1
979 1 35 VAL HA 1 35 VAL QG 2.390 . 2.590 2.118 2.090 2.154 . 0 0 "[ . 1 . 2]" 1
980 1 36 MET H 1 36 MET QB 3.090 . 3.290 2.460 2.402 2.500 . 0 0 "[ . 1 . 2]" 1
981 1 36 MET HA 1 36 MET QB 2.430 . 2.630 2.379 2.363 2.409 . 0 0 "[ . 1 . 2]" 1
982 1 36 MET QB 1 36 MET QG 2.340 . 2.540 2.101 2.089 2.109 . 0 0 "[ . 1 . 2]" 1
983 1 36 MET QG 1 48 LEU QD 3.850 . 4.050 3.604 3.018 3.995 . 0 0 "[ . 1 . 2]" 1
984 1 37 ARG H 1 37 ARG QD 3.140 . 3.340 2.946 2.154 3.525 0.185 10 0 "[ . 1 . 2]" 1
985 1 37 ARG HA 1 37 ARG QD 2.510 . 2.710 2.307 2.016 2.692 . 0 0 "[ . 1 . 2]" 1
986 1 39 LEU HA 1 39 LEU QB 2.500 . 2.700 2.509 2.393 2.558 . 0 0 "[ . 1 . 2]" 1
987 1 39 LEU HA 1 39 LEU QD 2.500 . 2.700 2.198 1.951 3.039 0.339 19 0 "[ . 1 . 2]" 1
988 1 39 LEU QD 1 40 GLY H 4.370 . 4.570 4.043 3.300 4.527 . 0 0 "[ . 1 . 2]" 1
989 1 40 GLY H 1 40 GLY QA 2.500 . 2.700 2.337 2.226 2.503 . 0 0 "[ . 1 . 2]" 1
990 1 42 ASN H 1 42 ASN QD 4.720 . 4.920 3.588 1.841 4.732 . 0 0 "[ . 1 . 2]" 1
991 1 42 ASN HA 1 42 ASN QB 2.600 . 2.800 2.220 2.155 2.554 . 0 0 "[ . 1 . 2]" 1
992 1 42 ASN QB 1 42 ASN QD 2.430 . 2.630 2.183 2.063 2.605 . 0 0 "[ . 1 . 2]" 1
993 1 43 PRO QG 1 48 LEU QD 2.930 . 3.130 2.254 2.039 2.723 . 0 0 "[ . 1 . 2]" 1
994 1 44 THR H 1 47 GLU QB 3.100 . 3.300 2.804 2.403 3.302 0.002 1 0 "[ . 1 . 2]" 1
995 1 45 GLU H 1 45 GLU QB 2.460 . 2.660 2.186 2.014 2.256 . 0 0 "[ . 1 . 2]" 1
996 1 45 GLU HA 1 45 GLU QB 2.520 . 2.720 2.421 2.375 2.514 . 0 0 "[ . 1 . 2]" 1
997 1 45 GLU HA 1 48 LEU QD 3.110 . 3.310 3.011 2.417 3.270 . 0 0 "[ . 1 . 2]" 1
998 1 45 GLU QB 1 46 ALA H 2.670 . 2.870 2.746 2.574 2.864 . 0 0 "[ . 1 . 2]" 1
999 1 47 GLU H 1 47 GLU QB 2.820 . 3.020 2.364 2.005 2.448 . 0 0 "[ . 1 . 2]" 1
1000 1 47 GLU QB 1 47 GLU QG 2.190 . 2.390 2.060 2.015 2.111 . 0 0 "[ . 1 . 2]" 1
1001 1 47 GLU QB 1 48 LEU H 3.330 . 3.530 2.685 2.560 3.160 . 0 0 "[ . 1 . 2]" 1
1002 1 48 LEU H 1 48 LEU QB 2.880 . 3.080 2.100 1.972 2.304 . 0 0 "[ . 1 . 2]" 1
1003 1 48 LEU H 1 48 LEU QD 2.770 . 2.970 2.737 2.232 3.132 0.162 18 0 "[ . 1 . 2]" 1
1004 1 48 LEU HA 1 48 LEU QB 2.560 . 2.760 2.537 2.459 2.565 . 0 0 "[ . 1 . 2]" 1
1005 1 48 LEU HA 1 48 LEU QD 2.200 . 2.400 1.994 1.914 2.128 . 0 0 "[ . 1 . 2]" 1
1006 1 48 LEU QB 1 48 LEU QD 2.240 . 2.440 2.057 2.039 2.070 . 0 0 "[ . 1 . 2]" 1
1007 1 49 GLN H 1 49 GLN QE 4.820 . 5.020 4.135 3.295 4.800 . 0 0 "[ . 1 . 2]" 1
1008 1 49 GLN HA 1 49 GLN QE 4.610 . 4.810 4.037 3.146 4.822 0.012 5 0 "[ . 1 . 2]" 1
1009 1 49 GLN QE 1 49 GLN QG 2.730 . 2.930 2.154 2.053 2.369 . 0 0 "[ . 1 . 2]" 1
1010 1 50 ASP H 1 50 ASP QB 2.290 . 2.490 2.229 2.145 2.262 . 0 0 "[ . 1 . 2]" 1
1011 1 50 ASP HA 1 50 ASP QB 2.370 . 2.570 2.367 2.286 2.420 . 0 0 "[ . 1 . 2]" 1
1012 1 51 MET H 1 51 MET QB 3.060 . 3.260 2.409 2.326 2.515 . 0 0 "[ . 1 . 2]" 1
1013 1 51 MET H 1 51 MET QG 2.710 . 2.910 2.245 2.105 2.428 . 0 0 "[ . 1 . 2]" 1
1014 1 51 MET HA 1 51 MET QG 2.760 . 2.960 2.608 2.375 2.914 . 0 0 "[ . 1 . 2]" 1
1015 1 51 MET QB 1 51 MET ME 3.420 . 3.620 2.729 2.105 3.391 . 0 0 "[ . 1 . 2]" 1
1016 1 51 MET ME 1 51 MET QG 3.380 . 3.580 2.335 2.226 2.487 . 0 0 "[ . 1 . 2]" 1
1017 1 52 ILE H 1 52 ILE QG 3.070 . 3.270 2.252 1.965 2.386 . 0 0 "[ . 1 . 2]" 1
1018 1 52 ILE HA 1 52 ILE QG 3.230 . 3.430 2.761 2.281 3.031 . 0 0 "[ . 1 . 2]" 1
1019 1 52 ILE HA 1 55 VAL QG 5.440 . 5.640 2.851 2.237 3.331 . 0 0 "[ . 1 . 2]" 1
1020 1 52 ILE QG 1 52 ILE MG 2.530 . 2.730 2.441 2.362 2.545 . 0 0 "[ . 1 . 2]" 1
1021 1 53 ASN H 1 53 ASN QB 3.130 . 3.330 2.118 2.035 2.244 . 0 0 "[ . 1 . 2]" 1
1022 1 53 ASN H 1 53 ASN QD 3.420 . 3.620 3.117 2.328 3.791 0.171 15 0 "[ . 1 . 2]" 1
1023 1 54 GLU H 1 54 GLU QB 3.330 . 3.530 2.178 2.019 2.312 . 0 0 "[ . 1 . 2]" 1
1024 1 54 GLU H 1 54 GLU QG 3.270 . 3.470 2.931 2.446 3.783 0.313 4 0 "[ . 1 . 2]" 1
1025 1 54 GLU HA 1 54 GLU QG 2.220 . 2.420 2.230 2.107 2.349 . 0 0 "[ . 1 . 2]" 1
1026 1 54 GLU QB 1 54 GLU QG 2.060 . 2.260 2.098 2.078 2.110 . 0 0 "[ . 1 . 2]" 1
1027 1 54 GLU QB 1 55 VAL H 3.760 . 3.960 2.927 2.685 3.189 . 0 0 "[ . 1 . 2]" 1
1028 1 55 VAL HA 1 55 VAL QG 2.700 . 2.900 2.225 2.094 2.289 . 0 0 "[ . 1 . 2]" 1
1029 1 55 VAL QG 1 56 ASP H 3.140 . 3.340 2.482 2.364 2.869 . 0 0 "[ . 1 . 2]" 1
1030 1 55 VAL QG 1 67 GLU QB 2.440 . 2.640 2.259 2.087 2.533 . 0 0 "[ . 1 . 2]" 1
1031 1 55 VAL QG 1 71 MET QG 3.180 . 3.380 2.349 1.884 3.032 . 0 0 "[ . 1 . 2]" 1
1032 1 55 VAL QG 1 71 MET ME 2.700 . 2.900 2.324 2.016 2.888 . 0 0 "[ . 1 . 2]" 1
1033 1 56 ASP HA 1 56 ASP QB 2.640 . 2.840 2.404 2.365 2.439 . 0 0 "[ . 1 . 2]" 1
1034 1 58 ASP HA 1 58 ASP QB 2.340 . 2.540 2.209 2.151 2.324 . 0 0 "[ . 1 . 2]" 1
1035 1 58 ASP QB 1 59 GLY H 3.380 . 3.580 3.368 2.527 3.724 0.144 9 0 "[ . 1 . 2]" 1
1036 1 59 GLY H 1 59 GLY QA 2.480 . 2.680 2.221 2.199 2.249 . 0 0 "[ . 1 . 2]" 1
1037 1 60 ASN H 1 60 ASN QB 3.050 . 3.250 2.644 2.523 2.809 . 0 0 "[ . 1 . 2]" 1
1038 1 60 ASN HA 1 60 ASN QB 2.310 . 2.510 2.332 2.293 2.369 . 0 0 "[ . 1 . 2]" 1
1039 1 60 ASN HA 1 60 ASN QD 3.070 . 3.270 2.127 2.028 2.311 . 0 0 "[ . 1 . 2]" 1
1040 1 61 GLY H 1 61 GLY QA 2.490 . 2.690 2.249 2.236 2.268 . 0 0 "[ . 1 . 2]" 1
1041 1 61 GLY QA 1 62 THR H 3.020 . 3.220 2.907 2.867 2.953 . 0 0 "[ . 1 . 2]" 1
1042 1 63 ILE MG 1 67 GLU QG 4.030 . 4.230 4.165 3.970 4.350 0.120 15 0 "[ . 1 . 2]" 1
1043 1 63 ILE MG 1 68 PHE QB 3.460 . 3.660 2.154 2.066 2.357 . 0 0 "[ . 1 . 2]" 1
1044 1 64 ASP H 1 64 ASP QB 3.010 . 3.210 2.415 2.330 2.688 . 0 0 "[ . 1 . 2]" 1
1045 1 64 ASP H 1 67 GLU QB 3.300 . 3.500 2.301 2.046 2.642 . 0 0 "[ . 1 . 2]" 1
1046 1 64 ASP H 1 67 GLU QG 3.210 . 3.410 3.263 2.693 3.537 0.127 4 0 "[ . 1 . 2]" 1
1047 1 64 ASP HA 1 64 ASP QB 2.640 . 2.840 2.373 2.277 2.409 . 0 0 "[ . 1 . 2]" 1
1048 1 64 ASP QB 1 65 PHE H 2.420 . 2.620 2.429 2.315 2.588 . 0 0 "[ . 1 . 2]" 1
1049 1 64 ASP QB 1 66 PRO QD 2.450 . 2.650 2.187 1.998 2.457 . 0 0 "[ . 1 . 2]" 1
1050 1 65 PHE H 1 65 PHE QB 2.820 . 3.020 2.247 2.147 2.299 . 0 0 "[ . 1 . 2]" 1
1051 1 65 PHE QD 1 68 PHE QB 3.860 . 4.060 3.447 2.439 4.185 0.125 1 0 "[ . 1 . 2]" 1
1052 1 65 PHE QD 1 69 LEU QB 4.090 . 4.290 4.208 3.028 4.461 0.171 8 0 "[ . 1 . 2]" 1
1053 1 65 PHE QD 1 69 LEU QD 3.970 . 4.170 3.692 2.833 4.285 0.115 14 0 "[ . 1 . 2]" 1
1054 1 65 PHE QE 1 69 LEU QB 4.030 . 4.230 4.120 3.692 4.564 0.334 2 0 "[ . 1 . 2]" 1
1055 1 65 PHE QE 1 69 LEU QD 3.090 . 3.290 2.838 2.235 3.452 0.162 16 0 "[ . 1 . 2]" 1
1056 1 67 GLU H 1 67 GLU QB 3.180 . 3.380 2.431 2.352 2.630 . 0 0 "[ . 1 . 2]" 1
1057 1 67 GLU H 1 67 GLU QG 4.060 . 4.260 2.209 1.902 2.434 . 0 0 "[ . 1 . 2]" 1
1058 1 67 GLU QG 1 68 PHE H 4.690 . 4.890 4.020 3.652 4.200 . 0 0 "[ . 1 . 2]" 1
1059 1 68 PHE H 1 68 PHE QB 2.720 . 2.920 2.196 2.152 2.248 . 0 0 "[ . 1 . 2]" 1
1060 1 68 PHE HA 1 71 MET QG 5.340 . 5.540 2.772 2.271 3.921 . 0 0 "[ . 1 . 2]" 1
1061 1 68 PHE QB 1 69 LEU H 3.320 . 3.520 2.493 2.431 2.585 . 0 0 "[ . 1 . 2]" 1
1062 1 68 PHE QE 1 69 LEU QD 4.330 . 4.530 4.082 3.421 4.752 0.222 12 0 "[ . 1 . 2]" 1
1063 1 69 LEU HA 1 69 LEU QB 2.510 . 2.710 2.477 2.389 2.554 . 0 0 "[ . 1 . 2]" 1
1064 1 69 LEU HA 1 69 LEU QD 2.700 . 2.900 2.123 1.953 2.627 . 0 0 "[ . 1 . 2]" 1
1065 1 69 LEU QB 1 69 LEU HG 2.590 . 2.790 2.336 2.148 2.426 . 0 0 "[ . 1 . 2]" 1
1066 1 69 LEU QB 1 69 LEU QD 2.370 . 2.570 1.966 1.911 2.079 . 0 0 "[ . 1 . 2]" 1
1067 1 69 LEU QB 1 70 THR H 3.330 . 3.530 2.845 2.629 3.386 . 0 0 "[ . 1 . 2]" 1
1068 1 71 MET HA 1 71 MET QG 2.510 . 2.710 2.421 2.328 2.512 . 0 0 "[ . 1 . 2]" 1
1069 1 71 MET QB 1 71 MET QG 2.040 . 2.240 2.100 2.078 2.112 . 0 0 "[ . 1 . 2]" 1
1070 1 71 MET QB 1 72 MET H 3.050 . 3.250 2.829 2.536 3.097 . 0 0 "[ . 1 . 2]" 1
1071 1 71 MET ME 1 71 MET QG 2.650 . 2.850 2.259 2.196 2.364 . 0 0 "[ . 1 . 2]" 1
1072 1 72 MET H 1 72 MET QB 3.010 . 3.210 2.437 2.134 2.544 . 0 0 "[ . 1 . 2]" 1
1073 1 72 MET H 1 72 MET QG 2.870 . 3.070 2.376 2.000 3.193 0.123 1 0 "[ . 1 . 2]" 1
1074 1 72 MET HA 1 72 MET QB 2.640 . 2.840 2.357 2.138 2.434 . 0 0 "[ . 1 . 2]" 1
1075 1 72 MET HA 1 72 MET QG 3.010 . 3.210 2.680 2.314 3.258 0.048 11 0 "[ . 1 . 2]" 1
1076 1 72 MET QB 1 72 MET QG 2.240 . 2.440 2.055 2.004 2.111 . 0 0 "[ . 1 . 2]" 1
1077 1 72 MET QB 1 73 ALA H 3.190 . 3.390 2.943 2.449 3.503 0.113 11 0 "[ . 1 . 2]" 1
1078 1 72 MET ME 1 72 MET QG 2.390 . 2.590 2.266 2.183 2.412 . 0 0 "[ . 1 . 2]" 1
1079 1 74 ARG H 1 74 ARG QG 3.370 . 3.570 2.604 2.099 3.533 . 0 0 "[ . 1 . 2]" 1
1080 1 74 ARG QB 1 74 ARG QG 2.310 . 2.510 2.028 2.016 2.040 . 0 0 "[ . 1 . 2]" 1
1081 1 76 MET H 1 76 MET QB 2.600 . 2.800 2.447 2.317 2.899 0.099 10 0 "[ . 1 . 2]" 1
1082 1 76 MET H 1 76 MET QG 3.080 . 3.280 2.462 2.014 3.312 0.032 10 0 "[ . 1 . 2]" 1
1083 1 76 MET HA 1 76 MET QB 2.450 . 2.650 2.396 2.334 2.521 . 0 0 "[ . 1 . 2]" 1
1084 1 76 MET HA 1 76 MET QG 2.850 . 3.050 2.613 2.317 2.987 . 0 0 "[ . 1 . 2]" 1
1085 1 76 MET QB 1 77 LYS H 3.150 . 3.350 3.112 2.446 3.847 0.497 10 0 "[ . 1 . 2]" 1
1086 1 76 MET QB 1 79 THR H 3.460 . 3.660 2.887 1.979 3.788 0.128 3 0 "[ . 1 . 2]" 1
1087 1 76 MET QB 1 80 ASP H 3.720 . 3.920 3.808 2.520 4.056 0.136 10 0 "[ . 1 . 2]" 1
1088 1 77 LYS H 1 77 LYS QB 2.950 . 3.150 2.308 2.146 2.591 . 0 0 "[ . 1 . 2]" 1
1089 1 77 LYS HA 1 77 LYS QB 2.530 . 2.730 2.424 2.345 2.531 . 0 0 "[ . 1 . 2]" 1
1090 1 78 ASP H 1 78 ASP QB 2.380 . 2.580 2.247 2.173 2.612 0.032 3 0 "[ . 1 . 2]" 1
1091 1 78 ASP HA 1 78 ASP QB 2.320 . 2.520 2.390 2.322 2.512 . 0 0 "[ . 1 . 2]" 1
1092 1 78 ASP QB 1 79 THR H 2.910 . 3.110 2.719 2.089 3.117 0.007 15 0 "[ . 1 . 2]" 1
1093 1 80 ASP HA 1 81 SER QB 5.340 . 5.540 4.395 3.945 5.177 . 0 0 "[ . 1 . 2]" 1
1094 1 81 SER H 1 81 SER QB 2.670 . 2.870 2.246 2.156 2.383 . 0 0 "[ . 1 . 2]" 1
1095 1 81 SER HA 1 81 SER QB 2.310 . 2.510 2.389 2.316 2.461 . 0 0 "[ . 1 . 2]" 1
1096 1 83 GLU H 1 83 GLU QB 2.440 . 2.640 2.417 2.041 2.644 0.004 2 0 "[ . 1 . 2]" 1
1097 1 83 GLU QB 1 83 GLU QG 2.310 . 2.510 2.079 1.997 2.113 . 0 0 "[ . 1 . 2]" 1
1098 1 84 GLU H 1 84 GLU QB 2.660 . 2.860 2.297 1.994 2.758 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 23
_Distance_constraint_stats_list.Viol_count 177
_Distance_constraint_stats_list.Viol_total 158.446
_Distance_constraint_stats_list.Viol_max 0.275
_Distance_constraint_stats_list.Viol_rms 0.0335
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0172
_Distance_constraint_stats_list.Viol_average_violations_only 0.0448
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.183 0.064 19 0 "[ . 1 . 2]"
1 24 ASP 0.034 0.021 15 0 "[ . 1 . 2]"
1 26 THR 0.390 0.065 9 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 0.656 0.060 11 0 "[ . 1 . 2]"
1 58 ASP 1.062 0.126 11 0 "[ . 1 . 2]"
1 60 ASN 0.827 0.092 1 0 "[ . 1 . 2]"
1 62 THR 1.715 0.154 11 0 "[ . 1 . 2]"
1 67 GLU 0.002 0.001 11 0 "[ . 1 . 2]"
1 93 ASP 0.015 0.015 2 0 "[ . 1 . 2]"
1 95 ASP 0.568 0.149 17 0 "[ . 1 . 2]"
1 97 ASN 0.231 0.133 19 0 "[ . 1 . 2]"
1 99 TYR 0.752 0.275 19 0 "[ . 1 . 2]"
1 104 GLU 0.060 0.018 13 0 "[ . 1 . 2]"
1 129 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 ASP 0.396 0.051 8 0 "[ . 1 . 2]"
1 133 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLN 0.942 0.130 2 0 "[ . 1 . 2]"
1 140 GLU 0.090 0.046 2 0 "[ . 1 . 2]"
2 1 CA 0.607 0.065 9 0 "[ . 1 . 2]"
3 1 CA 4.262 0.154 11 0 "[ . 1 . 2]"
4 1 CA 1.626 0.275 19 0 "[ . 1 . 2]"
5 1 CA 1.427 0.130 2 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 20 ASP OD1 2 1 CA CA 2.420 2.220 2.620 2.431 2.401 2.617 . 0 0 "[ . 1 . 2]" 2
2 1 22 ASP OD1 2 1 CA CA 2.500 2.300 2.700 2.680 2.630 2.764 0.064 19 0 "[ . 1 . 2]" 2
3 1 24 ASP OD1 2 1 CA CA 2.390 2.190 2.590 2.507 2.398 2.611 0.021 15 0 "[ . 1 . 2]" 2
4 1 26 THR O 2 1 CA CA 2.350 2.150 2.550 2.557 2.409 2.615 0.065 9 0 "[ . 1 . 2]" 2
5 1 31 GLU OE1 2 1 CA CA 2.430 2.230 2.630 2.583 2.557 2.614 . 0 0 "[ . 1 . 2]" 2
6 1 31 GLU OE2 2 1 CA CA 2.380 2.180 2.580 2.527 2.508 2.551 . 0 0 "[ . 1 . 2]" 2
7 1 56 ASP OD1 3 1 CA CA 2.130 . 2.330 2.363 2.352 2.390 0.060 11 0 "[ . 1 . 2]" 2
8 1 58 ASP OD1 3 1 CA CA 2.300 2.100 2.500 2.552 2.488 2.626 0.126 11 0 "[ . 1 . 2]" 2
9 1 60 ASN OD1 3 1 CA CA 2.380 2.180 2.580 2.621 2.563 2.672 0.092 1 0 "[ . 1 . 2]" 2
10 1 62 THR O 3 1 CA CA 2.290 . 2.490 2.576 2.496 2.644 0.154 11 0 "[ . 1 . 2]" 2
11 1 67 GLU OE1 3 1 CA CA 2.550 2.350 2.750 2.700 2.573 2.750 0.000 1 0 "[ . 1 . 2]" 2
12 1 67 GLU OE2 3 1 CA CA 2.400 2.200 2.600 2.540 2.395 2.601 0.001 11 0 "[ . 1 . 2]" 2
13 1 93 ASP OD1 4 1 CA CA 2.230 2.030 2.430 2.399 2.307 2.445 0.015 2 0 "[ . 1 . 2]" 2
14 1 95 ASP OD1 4 1 CA CA 2.530 2.330 2.730 2.720 2.400 2.879 0.149 17 0 "[ . 1 . 2]" 2
15 1 97 ASN OD1 4 1 CA CA 2.350 2.150 2.550 2.472 2.386 2.683 0.133 19 0 "[ . 1 . 2]" 2
16 1 99 TYR O 4 1 CA CA 2.200 . 2.400 2.437 2.396 2.675 0.275 19 0 "[ . 1 . 2]" 2
17 1 104 GLU OE1 4 1 CA CA 2.440 2.400 2.640 2.513 2.389 2.658 0.018 13 0 "[ . 1 . 2]" 2
18 1 129 ASP OD1 5 1 CA CA 2.310 2.110 2.510 2.468 2.393 2.509 . 0 0 "[ . 1 . 2]" 2
19 1 131 ASP OD1 5 1 CA CA 2.450 2.250 2.650 2.668 2.632 2.701 0.051 8 0 "[ . 1 . 2]" 2
20 1 133 ASP OD1 5 1 CA CA 2.300 2.100 2.500 2.363 2.321 2.464 . 0 0 "[ . 1 . 2]" 2
21 1 135 GLN O 5 1 CA CA 2.300 2.100 2.500 2.547 2.494 2.630 0.130 2 0 "[ . 1 . 2]" 2
22 1 140 GLU OE1 5 1 CA CA 2.570 2.370 2.770 2.446 2.324 2.704 0.046 2 0 "[ . 1 . 2]" 2
23 1 140 GLU OE2 5 1 CA CA 2.550 2.350 2.750 2.516 2.347 2.701 0.003 16 0 "[ . 1 . 2]" 2
stop_
save_
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