NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
616214 |
2nbp   |
25987 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nbp
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 2211
_Distance_constraint_stats_list.Viol_count 2691
_Distance_constraint_stats_list.Viol_total 1102.091
_Distance_constraint_stats_list.Viol_max 0.399
_Distance_constraint_stats_list.Viol_rms 0.0077
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0205
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.127 0.082 20 0 "[ . 1 . 2]"
1 3 THR 0.662 0.399 20 0 "[ . 1 . 2]"
1 4 GLY 0.536 0.399 20 0 "[ . 1 . 2]"
1 5 THR 1.419 0.115 16 0 "[ . 1 . 2]"
1 6 GLY 0.208 0.101 13 0 "[ . 1 . 2]"
1 7 GLU 0.001 0.001 14 0 "[ . 1 . 2]"
1 8 SER 0.040 0.038 9 0 "[ . 1 . 2]"
1 9 LYS 0.035 0.017 2 0 "[ . 1 . 2]"
1 10 CYS 0.046 0.020 2 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.512 0.146 15 0 "[ . 1 . 2]"
1 13 MET 0.374 0.056 2 0 "[ . 1 . 2]"
1 14 VAL 0.001 0.001 13 0 "[ . 1 . 2]"
1 15 LYS 0.874 0.050 5 0 "[ . 1 . 2]"
1 16 VAL 0.406 0.024 13 0 "[ . 1 . 2]"
1 17 LEU 1.906 0.064 19 0 "[ . 1 . 2]"
1 18 ASP 1.273 0.053 3 0 "[ . 1 . 2]"
1 19 ALA 0.855 0.074 16 0 "[ . 1 . 2]"
1 20 VAL 1.514 0.053 14 0 "[ . 1 . 2]"
1 21 ARG 2.514 0.053 14 0 "[ . 1 . 2]"
1 22 GLY 0.064 0.016 16 0 "[ . 1 . 2]"
1 23 SER 0.192 0.020 18 0 "[ . 1 . 2]"
1 24 PRO 2.816 0.076 3 0 "[ . 1 . 2]"
1 25 ALA 1.451 0.064 19 0 "[ . 1 . 2]"
1 26 ILE 6.896 0.099 12 0 "[ . 1 . 2]"
1 27 ASN 3.871 0.067 3 0 "[ . 1 . 2]"
1 28 VAL 2.105 0.115 13 0 "[ . 1 . 2]"
1 29 ALA 2.115 0.055 16 0 "[ . 1 . 2]"
1 30 VAL 2.944 0.098 15 0 "[ . 1 . 2]"
1 31 HIS 2.909 0.098 15 0 "[ . 1 . 2]"
1 32 VAL 1.229 0.045 18 0 "[ . 1 . 2]"
1 33 PHE 2.361 0.091 10 0 "[ . 1 . 2]"
1 34 ARG 1.281 0.091 10 0 "[ . 1 . 2]"
1 35 LYS 2.977 0.125 17 0 "[ . 1 . 2]"
1 36 ALA 2.458 0.112 11 0 "[ . 1 . 2]"
1 37 ALA 0.601 0.085 17 0 "[ . 1 . 2]"
1 38 ASP 0.645 0.067 6 0 "[ . 1 . 2]"
1 39 ASP 1.677 0.106 10 0 "[ . 1 . 2]"
1 40 THR 0.721 0.047 6 0 "[ . 1 . 2]"
1 41 TRP 2.993 0.125 17 0 "[ . 1 . 2]"
1 42 GLU 1.105 0.039 17 0 "[ . 1 . 2]"
1 43 PRO 1.982 0.069 9 0 "[ . 1 . 2]"
1 44 PHE 1.400 0.097 16 0 "[ . 1 . 2]"
1 45 ALA 0.061 0.011 12 0 "[ . 1 . 2]"
1 46 SER 0.372 0.022 19 0 "[ . 1 . 2]"
1 47 GLY 1.092 0.055 19 0 "[ . 1 . 2]"
1 48 LYS 2.081 0.055 19 0 "[ . 1 . 2]"
1 49 THR 0.954 0.115 13 0 "[ . 1 . 2]"
1 50 SER 0.315 0.106 20 0 "[ . 1 . 2]"
1 51 GLU 1.817 0.106 20 0 "[ . 1 . 2]"
1 52 SER 1.376 0.076 3 0 "[ . 1 . 2]"
1 53 GLY 0.642 0.050 5 0 "[ . 1 . 2]"
1 54 GLU 0.127 0.024 16 0 "[ . 1 . 2]"
1 55 LEU 0.152 0.040 12 0 "[ . 1 . 2]"
1 56 HIS 0.077 0.011 10 0 "[ . 1 . 2]"
1 57 GLY 0.046 0.020 2 0 "[ . 1 . 2]"
1 58 LEU 0.288 0.058 5 0 "[ . 1 . 2]"
1 59 THR 0.549 0.051 4 0 "[ . 1 . 2]"
1 60 THR 1.475 0.059 10 0 "[ . 1 . 2]"
1 61 GLU 0.835 0.059 10 0 "[ . 1 . 2]"
1 62 GLU 0.052 0.010 10 0 "[ . 1 . 2]"
1 63 GLU 0.036 0.008 4 0 "[ . 1 . 2]"
1 64 PHE 0.024 0.007 18 0 "[ . 1 . 2]"
1 65 VAL 0.008 0.003 15 0 "[ . 1 . 2]"
1 66 GLU 0.004 0.002 10 0 "[ . 1 . 2]"
1 67 GLY 0.021 0.004 20 0 "[ . 1 . 2]"
1 68 ILE 0.179 0.018 17 0 "[ . 1 . 2]"
1 69 TYR 0.266 0.053 18 0 "[ . 1 . 2]"
1 70 LYS 1.942 0.173 9 0 "[ . 1 . 2]"
1 71 VAL 0.712 0.039 14 0 "[ . 1 . 2]"
1 72 GLU 0.374 0.048 9 0 "[ . 1 . 2]"
1 73 ILE 0.275 0.021 17 0 "[ . 1 . 2]"
1 74 ASP 0.013 0.006 11 0 "[ . 1 . 2]"
1 75 THR 0.061 0.016 7 0 "[ . 1 . 2]"
1 76 LYS 0.520 0.052 12 0 "[ . 1 . 2]"
1 77 SER 0.478 0.042 16 0 "[ . 1 . 2]"
1 78 TYR 0.862 0.052 12 0 "[ . 1 . 2]"
1 79 TRP 4.568 0.109 7 0 "[ . 1 . 2]"
1 80 LYS 0.609 0.041 7 0 "[ . 1 . 2]"
1 81 ALA 0.510 0.042 16 0 "[ . 1 . 2]"
1 82 LEU 2.717 0.109 7 0 "[ . 1 . 2]"
1 83 GLY 1.108 0.070 7 0 "[ . 1 . 2]"
1 84 ILE 5.738 0.093 10 0 "[ . 1 . 2]"
1 85 SER 2.201 0.093 10 0 "[ . 1 . 2]"
1 87 MET 0.179 0.081 18 0 "[ . 1 . 2]"
1 88 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 HIS 0.059 0.015 17 0 "[ . 1 . 2]"
1 91 ALA 0.055 0.009 1 0 "[ . 1 . 2]"
1 92 GLU 0.530 0.052 11 0 "[ . 1 . 2]"
1 93 VAL 0.144 0.017 4 0 "[ . 1 . 2]"
1 94 VAL 0.181 0.017 4 0 "[ . 1 . 2]"
1 95 PHE 0.218 0.016 7 0 "[ . 1 . 2]"
1 96 THR 0.066 0.011 17 0 "[ . 1 . 2]"
1 97 ALA 0.014 0.004 16 0 "[ . 1 . 2]"
1 99 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 SER 0.051 0.047 7 0 "[ . 1 . 2]"
1 101 GLY 0.051 0.047 7 0 "[ . 1 . 2]"
1 102 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 TYR 0.031 0.018 18 0 "[ . 1 . 2]"
1 106 THR 0.145 0.024 2 0 "[ . 1 . 2]"
1 107 ILE 0.064 0.021 19 0 "[ . 1 . 2]"
1 108 ALA 0.009 0.003 16 0 "[ . 1 . 2]"
1 109 ALA 0.469 0.030 19 0 "[ . 1 . 2]"
1 110 MET 1.282 0.049 19 0 "[ . 1 . 2]"
1 111 LEU 2.124 0.058 17 0 "[ . 1 . 2]"
1 112 SER 1.507 0.059 16 0 "[ . 1 . 2]"
1 113 PRO 0.205 0.028 13 0 "[ . 1 . 2]"
1 114 TYR 0.624 0.046 16 0 "[ . 1 . 2]"
1 115 SER 0.031 0.030 19 0 "[ . 1 . 2]"
1 116 TYR 0.079 0.078 19 0 "[ . 1 . 2]"
1 118 THR 0.337 0.080 19 0 "[ . 1 . 2]"
1 119 MET 0.185 0.080 19 0 "[ . 1 . 2]"
1 120 ALA 0.013 0.010 19 0 "[ . 1 . 2]"
1 121 VAL 0.063 0.016 17 0 "[ . 1 . 2]"
1 122 VAL 0.058 0.016 17 0 "[ . 1 . 2]"
1 123 THR 0.005 0.005 12 0 "[ . 1 . 2]"
1 124 ASN 0.189 0.042 16 0 "[ . 1 . 2]"
1 125 PRO 0.189 0.042 16 0 "[ . 1 . 2]"
1 126 LYS 0.196 0.038 14 0 "[ . 1 . 2]"
1 127 GLU 0.071 0.019 20 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 1 118 THR HA 1 118 THR MG . . 3.740 2.143 2.021 2.208 . 0 0 "[ . 1 . 2]" 1
2 1 21 ARG H 1 21 ARG HB3 . . 3.730 3.688 3.627 3.720 . 0 0 "[ . 1 . 2]" 1
3 1 43 PRO HB3 1 44 PHE H . . 4.230 4.128 4.113 4.142 . 0 0 "[ . 1 . 2]" 1
4 1 125 PRO HB3 1 127 GLU H . . 4.910 4.540 4.237 4.789 . 0 0 "[ . 1 . 2]" 1
5 1 124 ASN HA 1 125 PRO HD3 . . 3.530 2.334 2.299 2.352 . 0 0 "[ . 1 . 2]" 1
6 1 101 GLY HA2 1 102 PRO QD . . 3.420 2.334 2.182 2.538 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR HA 1 3 THR MG . . 2.750 2.356 2.159 2.484 . 0 0 "[ . 1 . 2]" 1
8 1 5 THR HA 1 5 THR MG . . 3.090 2.856 2.142 3.205 0.115 16 0 "[ . 1 . 2]" 1
9 1 5 THR HB 1 6 GLY H . . 4.550 3.651 2.040 4.651 0.101 13 0 "[ . 1 . 2]" 1
10 1 75 THR MG 1 111 LEU MD1 . . 2.930 2.430 2.217 2.623 . 0 0 "[ . 1 . 2]" 1
11 1 75 THR MG 1 111 LEU MD2 . . 3.320 1.900 1.869 1.960 . 0 0 "[ . 1 . 2]" 1
12 1 60 THR MG 1 61 GLU H . . 3.780 3.517 3.499 3.545 . 0 0 "[ . 1 . 2]" 1
13 1 108 ALA H 1 108 ALA MB . . 3.110 2.279 2.162 2.409 . 0 0 "[ . 1 . 2]" 1
14 1 60 THR H 1 60 THR MG . . 3.470 2.837 2.718 2.917 . 0 0 "[ . 1 . 2]" 1
15 1 118 THR MG 1 119 MET H . . 3.720 2.764 2.139 3.800 0.080 19 0 "[ . 1 . 2]" 1
16 1 47 GLY HA3 1 48 LYS HG3 . . 5.490 4.626 4.511 4.705 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLU HA 1 7 GLU HB2 . . 3.000 2.491 2.361 2.917 . 0 0 "[ . 1 . 2]" 1
18 1 7 GLU HA 1 7 GLU HB3 . . 3.000 2.566 2.435 2.900 . 0 0 "[ . 1 . 2]" 1
19 1 20 VAL MG1 1 21 ARG HA . . 3.600 3.487 3.364 3.541 . 0 0 "[ . 1 . 2]" 1
20 1 7 GLU HA 1 7 GLU QG . . 3.450 3.128 2.193 3.442 . 0 0 "[ . 1 . 2]" 1
21 1 7 GLU HB2 1 7 GLU QG . . 2.490 2.306 2.141 2.457 . 0 0 "[ . 1 . 2]" 1
22 1 8 SER HA 1 8 SER QB . . 2.580 2.349 2.170 2.504 . 0 0 "[ . 1 . 2]" 1
23 1 34 ARG HD3 1 44 PHE QR . . 4.510 3.301 2.497 4.283 . 0 0 "[ . 1 . 2]" 1
24 1 17 LEU H 1 110 MET HA . . 4.010 3.171 3.086 3.287 . 0 0 "[ . 1 . 2]" 1
25 1 12 LEU H 1 12 LEU MD2 . . 4.630 4.204 1.905 4.610 . 0 0 "[ . 1 . 2]" 1
26 1 12 LEU H 1 12 LEU MD1 . . 4.630 4.337 3.150 4.634 0.004 8 0 "[ . 1 . 2]" 1
27 1 46 SER HA 1 58 LEU MD1 . . 4.230 3.761 3.326 4.036 . 0 0 "[ . 1 . 2]" 1
28 1 36 ALA H 1 42 GLU QG . . 4.310 4.236 4.061 4.321 0.011 12 0 "[ . 1 . 2]" 1
29 1 42 GLU HA 1 42 GLU QG . . 3.230 2.146 2.122 2.166 . 0 0 "[ . 1 . 2]" 1
30 1 51 GLU QG 1 53 GLY H . . 4.840 4.442 4.406 4.472 . 0 0 "[ . 1 . 2]" 1
31 1 93 VAL HA 1 94 VAL HB . . 4.780 4.609 4.589 4.639 . 0 0 "[ . 1 . 2]" 1
32 1 92 GLU HB3 1 93 VAL HA . . 5.170 4.701 4.641 4.774 . 0 0 "[ . 1 . 2]" 1
33 1 93 VAL HA 1 93 VAL MG1 . . 3.200 2.311 2.245 2.397 . 0 0 "[ . 1 . 2]" 1
34 1 93 VAL HA 1 93 VAL MG2 . . 3.350 2.338 2.289 2.377 . 0 0 "[ . 1 . 2]" 1
35 1 106 THR H 1 122 VAL HB . . 4.700 4.200 3.214 4.709 0.009 17 0 "[ . 1 . 2]" 1
36 1 16 VAL H 1 16 VAL MG2 . . 3.190 2.514 2.375 2.677 . 0 0 "[ . 1 . 2]" 1
37 1 32 VAL H 1 71 VAL MG1 . . 5.410 4.981 4.776 5.050 . 0 0 "[ . 1 . 2]" 1
38 1 16 VAL H 1 16 VAL MG1 . . 4.050 3.827 3.813 3.839 . 0 0 "[ . 1 . 2]" 1
39 1 16 VAL MG1 1 17 LEU H . . 3.410 3.026 3.009 3.057 . 0 0 "[ . 1 . 2]" 1
40 1 16 VAL MG1 1 28 VAL H . . 5.290 5.222 5.129 5.299 0.009 16 0 "[ . 1 . 2]" 1
41 1 16 VAL MG1 1 25 ALA H . . 4.490 3.403 3.324 3.518 . 0 0 "[ . 1 . 2]" 1
42 1 16 VAL MG1 1 111 LEU MD2 . . 2.980 2.389 2.247 2.458 . 0 0 "[ . 1 . 2]" 1
43 1 17 LEU HB3 1 110 MET HA . . 4.750 3.462 3.429 3.511 . 0 0 "[ . 1 . 2]" 1
44 1 17 LEU HB3 1 24 PRO HA . . 4.690 4.245 4.188 4.285 . 0 0 "[ . 1 . 2]" 1
45 1 17 LEU HB2 1 110 MET HA . . 4.470 3.535 3.467 3.575 . 0 0 "[ . 1 . 2]" 1
46 1 16 VAL HA 1 17 LEU HB2 . . 4.420 4.316 4.307 4.336 . 0 0 "[ . 1 . 2]" 1
47 1 15 LYS QG 1 17 LEU HB2 . . 4.510 3.669 3.483 3.824 . 0 0 "[ . 1 . 2]" 1
48 1 17 LEU H 1 17 LEU HG . . 4.540 4.169 4.010 4.269 . 0 0 "[ . 1 . 2]" 1
49 1 18 ASP HA 1 111 LEU H . . 3.910 2.294 2.176 2.401 . 0 0 "[ . 1 . 2]" 1
50 1 18 ASP HB3 1 21 ARG HB2 . . 4.550 2.224 2.126 2.337 . 0 0 "[ . 1 . 2]" 1
51 1 18 ASP HB3 1 25 ALA MB . . 4.990 4.990 4.939 5.007 0.017 20 0 "[ . 1 . 2]" 1
52 1 81 ALA HA 1 83 GLY H . . 4.760 4.600 4.596 4.607 . 0 0 "[ . 1 . 2]" 1
53 1 19 ALA H 1 19 ALA MB . . 3.000 2.136 2.087 2.275 . 0 0 "[ . 1 . 2]" 1
54 1 35 LYS QD 1 36 ALA MB . . 3.930 3.730 3.701 3.778 . 0 0 "[ . 1 . 2]" 1
55 1 29 ALA MB 1 48 LYS HA . . 4.640 4.663 4.643 4.677 0.037 12 0 "[ . 1 . 2]" 1
56 1 29 ALA MB 1 74 ASP HA . . 5.120 4.519 4.440 4.634 . 0 0 "[ . 1 . 2]" 1
57 1 19 ALA MB 1 110 MET HA . . 4.410 4.100 4.038 4.184 . 0 0 "[ . 1 . 2]" 1
58 1 29 ALA MB 1 73 ILE HA . . 5.320 4.848 4.696 4.935 . 0 0 "[ . 1 . 2]" 1
59 1 36 ALA MB 1 37 ALA HA . . 4.200 4.167 4.162 4.179 . 0 0 "[ . 1 . 2]" 1
60 1 28 VAL HA 1 29 ALA MB . . 4.100 3.989 3.962 4.026 . 0 0 "[ . 1 . 2]" 1
61 1 35 LYS HA 1 36 ALA MB . . 4.070 3.980 3.953 4.029 . 0 0 "[ . 1 . 2]" 1
62 1 29 ALA MB 1 48 LYS QE . . 3.270 2.735 2.637 2.884 . 0 0 "[ . 1 . 2]" 1
63 1 36 ALA H 1 36 ALA MB . . 2.830 2.226 2.204 2.251 . 0 0 "[ . 1 . 2]" 1
64 1 29 ALA H 1 29 ALA MB . . 3.050 2.158 2.090 2.234 . 0 0 "[ . 1 . 2]" 1
65 1 36 ALA MB 1 37 ALA H . . 2.930 2.141 1.989 2.218 . 0 0 "[ . 1 . 2]" 1
66 1 29 ALA MB 1 30 VAL H . . 3.710 3.386 3.374 3.397 . 0 0 "[ . 1 . 2]" 1
67 1 36 ALA MB 1 38 ASP H . . 3.190 2.186 2.105 2.343 . 0 0 "[ . 1 . 2]" 1
68 1 20 VAL HA 1 20 VAL MG1 . . 2.800 2.409 2.365 2.436 . 0 0 "[ . 1 . 2]" 1
69 1 19 ALA MB 1 20 VAL HA . . 4.250 3.897 3.840 3.948 . 0 0 "[ . 1 . 2]" 1
70 1 20 VAL HB 1 79 TRP HH2 . . 4.720 3.090 2.948 3.289 . 0 0 "[ . 1 . 2]" 1
71 1 69 TYR H 1 94 VAL MG1 . . 3.430 3.319 3.190 3.436 0.006 17 0 "[ . 1 . 2]" 1
72 1 41 TRP HH2 1 94 VAL MG1 . . 3.350 2.077 1.925 2.221 . 0 0 "[ . 1 . 2]" 1
73 1 93 VAL MG1 1 95 PHE QD . . 4.070 3.408 3.354 3.430 . 0 0 "[ . 1 . 2]" 1
74 1 71 VAL MG2 1 95 PHE QE . . 3.720 2.575 2.441 2.796 . 0 0 "[ . 1 . 2]" 1
75 1 93 VAL MG1 1 95 PHE QE . . 4.090 2.717 2.675 2.764 . 0 0 "[ . 1 . 2]" 1
76 1 65 VAL H 1 65 VAL MG1 . . 3.020 2.701 2.343 2.939 . 0 0 "[ . 1 . 2]" 1
77 1 18 ASP H 1 21 ARG QD . . 5.500 5.321 5.100 5.515 0.015 2 0 "[ . 1 . 2]" 1
78 1 20 VAL H 1 21 ARG QD . . 5.500 5.319 5.153 5.511 0.011 18 0 "[ . 1 . 2]" 1
79 1 21 ARG H 1 21 ARG QD . . 4.120 3.894 3.847 3.956 . 0 0 "[ . 1 . 2]" 1
80 1 23 SER HA 1 24 PRO HD3 . . 2.950 2.344 2.334 2.348 . 0 0 "[ . 1 . 2]" 1
81 1 23 SER HA 1 24 PRO HD2 . . 2.840 2.506 2.488 2.514 . 0 0 "[ . 1 . 2]" 1
82 1 23 SER HA 1 24 PRO HB3 . . 4.970 4.867 4.862 4.868 . 0 0 "[ . 1 . 2]" 1
83 1 31 HIS HA 1 32 VAL MG2 . . 3.790 3.380 3.360 3.398 . 0 0 "[ . 1 . 2]" 1
84 1 17 LEU MD1 1 23 SER HA . . 4.900 4.810 4.751 4.876 . 0 0 "[ . 1 . 2]" 1
85 1 23 SER H 1 23 SER HB2 . . 4.060 2.681 2.558 3.775 . 0 0 "[ . 1 . 2]" 1
86 1 24 PRO HA 1 25 ALA H . . 3.340 2.168 2.154 2.177 . 0 0 "[ . 1 . 2]" 1
87 1 18 ASP HB2 1 24 PRO HA . . 4.750 4.790 4.769 4.803 0.053 3 0 "[ . 1 . 2]" 1
88 1 17 LEU MD1 1 24 PRO HA . . 3.730 3.448 3.233 3.757 0.027 5 0 "[ . 1 . 2]" 1
89 1 17 LEU MD2 1 24 PRO HA . . 3.730 3.497 3.093 3.748 0.018 9 0 "[ . 1 . 2]" 1
90 1 124 ASN HB2 1 125 PRO HD2 . . 4.640 2.565 1.979 3.597 . 0 0 "[ . 1 . 2]" 1
91 1 124 ASN HB2 1 125 PRO HD3 . . 4.640 3.888 3.432 4.682 0.042 16 0 "[ . 1 . 2]" 1
92 1 36 ALA HA 1 38 ASP H . . 4.200 4.134 4.119 4.150 . 0 0 "[ . 1 . 2]" 1
93 1 36 ALA HA 1 37 ALA HA . . 4.450 4.335 4.332 4.340 . 0 0 "[ . 1 . 2]" 1
94 1 25 ALA HA 1 26 ILE HA . . 4.900 4.384 4.383 4.385 . 0 0 "[ . 1 . 2]" 1
95 1 36 ALA HA 1 42 GLU QG . . 4.390 4.188 3.680 4.418 0.028 17 0 "[ . 1 . 2]" 1
96 1 25 ALA HA 1 26 ILE HB . . 4.460 4.476 4.471 4.484 0.024 20 0 "[ . 1 . 2]" 1
97 1 17 LEU HA 1 25 ALA MB . . 4.370 3.970 3.920 4.003 . 0 0 "[ . 1 . 2]" 1
98 1 25 ALA MB 1 26 ILE HA . . 4.660 4.143 4.130 4.152 . 0 0 "[ . 1 . 2]" 1
99 1 17 LEU H 1 25 ALA MB . . 5.110 5.022 4.973 5.061 . 0 0 "[ . 1 . 2]" 1
100 1 25 ALA MB 1 78 TYR HB2 . . 4.430 2.871 2.571 3.101 . 0 0 "[ . 1 . 2]" 1
101 1 16 VAL HB 1 25 ALA MB . . 3.760 3.141 3.079 3.234 . 0 0 "[ . 1 . 2]" 1
102 1 26 ILE HA 1 26 ILE HG13 . . 3.930 2.930 2.926 2.935 . 0 0 "[ . 1 . 2]" 1
103 1 26 ILE HA 1 26 ILE MD . . 3.790 3.769 3.767 3.771 . 0 0 "[ . 1 . 2]" 1
104 1 26 ILE HA 1 28 VAL MG2 . . 4.620 3.531 3.418 3.594 . 0 0 "[ . 1 . 2]" 1
105 1 26 ILE HB 1 51 GLU QB . . 5.500 5.456 5.437 5.481 . 0 0 "[ . 1 . 2]" 1
106 1 26 ILE HB 1 51 GLU HA . . 4.740 4.667 4.651 4.677 . 0 0 "[ . 1 . 2]" 1
107 1 65 VAL H 1 65 VAL MG2 . . 2.840 2.016 1.923 2.172 . 0 0 "[ . 1 . 2]" 1
108 1 26 ILE HA 1 26 ILE MG . . 3.030 2.476 2.473 2.480 . 0 0 "[ . 1 . 2]" 1
109 1 64 PHE HA 1 65 VAL MG2 . . 4.020 3.729 3.598 3.893 . 0 0 "[ . 1 . 2]" 1
110 1 26 ILE MG 1 28 VAL H . . 4.480 4.502 4.496 4.511 0.031 13 0 "[ . 1 . 2]" 1
111 1 26 ILE H 1 26 ILE MG . . 3.850 3.747 3.745 3.749 . 0 0 "[ . 1 . 2]" 1
112 1 26 ILE MG 1 27 ASN H . . 3.400 2.219 2.212 2.236 . 0 0 "[ . 1 . 2]" 1
113 1 65 VAL MG2 1 66 GLU H . . 3.450 3.166 3.021 3.343 . 0 0 "[ . 1 . 2]" 1
114 1 26 ILE MG 1 27 ASN HB2 . . 3.180 2.542 2.539 2.544 . 0 0 "[ . 1 . 2]" 1
115 1 34 ARG HD3 1 65 VAL MG2 . . 4.340 3.707 2.720 4.334 . 0 0 "[ . 1 . 2]" 1
116 1 34 ARG HD2 1 65 VAL MG2 . . 4.340 2.835 2.045 3.484 . 0 0 "[ . 1 . 2]" 1
117 1 27 ASN H 1 27 ASN HB3 . . 4.150 4.089 4.087 4.091 . 0 0 "[ . 1 . 2]" 1
118 1 27 ASN HB3 1 48 LYS QE . . 4.690 4.594 4.472 4.674 . 0 0 "[ . 1 . 2]" 1
119 1 27 ASN HB3 1 48 LYS HD3 . . 3.540 3.030 2.929 3.069 . 0 0 "[ . 1 . 2]" 1
120 1 27 ASN HB3 1 48 LYS HG2 . . 4.790 4.774 4.661 4.827 0.037 19 0 "[ . 1 . 2]" 1
121 1 26 ILE MG 1 27 ASN HB3 . . 3.840 3.882 3.880 3.884 0.044 13 0 "[ . 1 . 2]" 1
122 1 27 ASN HB2 1 28 VAL H . . 4.430 4.386 4.378 4.394 . 0 0 "[ . 1 . 2]" 1
123 1 27 ASN H 1 27 ASN HB2 . . 3.870 3.380 3.378 3.382 . 0 0 "[ . 1 . 2]" 1
124 1 26 ILE HA 1 27 ASN HB2 . . 4.720 4.573 4.570 4.576 . 0 0 "[ . 1 . 2]" 1
125 1 9 LYS H 1 9 LYS HB3 . . 3.750 3.409 2.457 3.767 0.017 2 0 "[ . 1 . 2]" 1
126 1 25 ALA HA 1 28 VAL MG2 . . 4.320 3.795 3.767 3.817 . 0 0 "[ . 1 . 2]" 1
127 1 27 ASN HA 1 28 VAL MG2 . . 4.740 4.465 4.390 4.581 . 0 0 "[ . 1 . 2]" 1
128 1 28 VAL MG2 1 49 THR HB . . 3.970 3.842 3.705 3.984 0.014 13 0 "[ . 1 . 2]" 1
129 1 28 VAL HA 1 28 VAL MG2 . . 3.320 2.345 2.227 2.432 . 0 0 "[ . 1 . 2]" 1
130 1 28 VAL MG2 1 78 TYR HB3 . . 4.920 3.775 3.476 3.901 . 0 0 "[ . 1 . 2]" 1
131 1 28 VAL MG2 1 78 TYR HB2 . . 4.230 2.607 2.299 2.742 . 0 0 "[ . 1 . 2]" 1
132 1 16 VAL HB 1 28 VAL MG2 . . 4.140 2.749 2.347 3.146 . 0 0 "[ . 1 . 2]" 1
133 1 28 VAL MG2 1 49 THR MG . . 3.560 2.869 2.659 3.146 . 0 0 "[ . 1 . 2]" 1
134 1 28 VAL MG2 1 29 ALA H . . 4.260 4.194 4.133 4.234 . 0 0 "[ . 1 . 2]" 1
135 1 25 ALA H 1 28 VAL MG2 . . 4.930 3.686 3.552 3.794 . 0 0 "[ . 1 . 2]" 1
136 1 26 ILE H 1 28 VAL MG2 . . 5.220 3.455 3.422 3.494 . 0 0 "[ . 1 . 2]" 1
137 1 27 ASN H 1 28 VAL MG2 . . 4.290 3.878 3.737 3.978 . 0 0 "[ . 1 . 2]" 1
138 1 28 VAL MG2 1 78 TYR H . . 4.500 4.520 4.511 4.529 0.029 1 0 "[ . 1 . 2]" 1
139 1 28 VAL MG2 1 78 TYR QR . . 4.610 3.455 3.301 3.593 . 0 0 "[ . 1 . 2]" 1
140 1 30 VAL HA 1 30 VAL MG1 . . 3.070 2.296 2.262 2.335 . 0 0 "[ . 1 . 2]" 1
141 1 111 LEU H 1 111 LEU MD1 . . 3.650 2.904 2.757 2.985 . 0 0 "[ . 1 . 2]" 1
142 1 28 VAL MG1 1 74 ASP HB3 . . 5.500 4.555 3.882 5.171 . 0 0 "[ . 1 . 2]" 1
143 1 109 ALA MB 1 111 LEU MD1 . . 3.590 3.311 3.199 3.396 . 0 0 "[ . 1 . 2]" 1
144 1 16 VAL MG2 1 49 THR MG . . 2.630 2.002 1.908 2.241 . 0 0 "[ . 1 . 2]" 1
145 1 29 ALA HA 1 48 LYS HA . . 3.670 3.167 3.141 3.189 . 0 0 "[ . 1 . 2]" 1
146 1 45 ALA HA 1 46 SER HA . . 4.740 4.616 4.606 4.622 . 0 0 "[ . 1 . 2]" 1
147 1 28 VAL HA 1 29 ALA HA . . 4.490 4.473 4.469 4.476 . 0 0 "[ . 1 . 2]" 1
148 1 29 ALA HA 1 49 THR MG . . 5.500 5.483 5.359 5.526 0.026 8 0 "[ . 1 . 2]" 1
149 1 32 VAL MG2 1 45 ALA HA . . 5.060 4.856 4.807 4.898 . 0 0 "[ . 1 . 2]" 1
150 1 44 PHE QR 1 45 ALA HA . . 4.970 4.540 4.225 4.668 . 0 0 "[ . 1 . 2]" 1
151 1 71 VAL H 1 94 VAL HA . . 4.260 3.489 3.379 3.617 . 0 0 "[ . 1 . 2]" 1
152 1 69 TYR H 1 94 VAL HA . . 4.830 4.622 4.519 4.782 . 0 0 "[ . 1 . 2]" 1
153 1 94 VAL HA 1 95 PHE QD . . 4.530 3.308 3.249 3.404 . 0 0 "[ . 1 . 2]" 1
154 1 70 LYS HB3 1 94 VAL HA . . 4.970 4.894 4.788 4.975 0.005 10 0 "[ . 1 . 2]" 1
155 1 70 LYS HB2 1 94 VAL HA . . 4.770 3.698 3.570 3.794 . 0 0 "[ . 1 . 2]" 1
156 1 29 ALA H 1 30 VAL HA . . 5.500 5.546 5.536 5.555 0.055 16 0 "[ . 1 . 2]" 1
157 1 30 VAL HA 1 73 ILE HA . . 3.840 2.516 2.479 2.577 . 0 0 "[ . 1 . 2]" 1
158 1 30 VAL HB 1 32 VAL MG2 . . 4.500 4.501 4.448 4.518 0.018 4 0 "[ . 1 . 2]" 1
159 1 15 LYS HB2 1 16 VAL H . . 4.680 4.435 4.368 4.474 . 0 0 "[ . 1 . 2]" 1
160 1 30 VAL H 1 30 VAL MG2 . . 3.050 2.812 2.779 2.845 . 0 0 "[ . 1 . 2]" 1
161 1 14 VAL MG1 1 15 LYS H . . 3.010 2.898 2.726 3.008 . 0 0 "[ . 1 . 2]" 1
162 1 14 VAL H 1 14 VAL MG2 . . 3.990 2.607 2.380 2.726 . 0 0 "[ . 1 . 2]" 1
163 1 14 VAL HA 1 14 VAL MG1 . . 3.250 2.262 2.223 2.368 . 0 0 "[ . 1 . 2]" 1
164 1 14 VAL HA 1 14 VAL MG2 . . 3.470 2.386 2.335 2.434 . 0 0 "[ . 1 . 2]" 1
165 1 30 VAL HA 1 30 VAL MG2 . . 2.940 2.350 2.329 2.373 . 0 0 "[ . 1 . 2]" 1
166 1 56 HIS HA 1 56 HIS HD2 . . 4.510 4.075 2.618 4.413 . 0 0 "[ . 1 . 2]" 1
167 1 31 HIS HB2 1 72 GLU HB3 . . 4.550 4.026 3.224 4.454 . 0 0 "[ . 1 . 2]" 1
168 1 30 VAL MG1 1 31 HIS HB2 . . 4.830 4.555 4.445 4.614 . 0 0 "[ . 1 . 2]" 1
169 1 32 VAL HA 1 70 LYS H . . 4.700 4.541 4.327 4.659 . 0 0 "[ . 1 . 2]" 1
170 1 32 VAL HA 1 33 PHE QE . . 5.050 4.680 4.620 4.744 . 0 0 "[ . 1 . 2]" 1
171 1 32 VAL HA 1 44 PHE QR . . 5.500 4.966 4.735 5.149 . 0 0 "[ . 1 . 2]" 1
172 1 32 VAL HA 1 70 LYS HA . . 5.500 5.531 5.517 5.545 0.045 18 0 "[ . 1 . 2]" 1
173 1 32 VAL HA 1 71 VAL HA . . 4.090 2.438 2.264 2.488 . 0 0 "[ . 1 . 2]" 1
174 1 32 VAL HA 1 71 VAL MG2 . . 4.120 2.919 2.833 2.968 . 0 0 "[ . 1 . 2]" 1
175 1 32 VAL HA 1 71 VAL MG1 . . 4.200 3.647 3.459 3.726 . 0 0 "[ . 1 . 2]" 1
176 1 94 VAL MG2 1 95 PHE H . . 4.210 3.998 3.949 4.075 . 0 0 "[ . 1 . 2]" 1
177 1 44 PHE QR 1 45 ALA MB . . 3.160 2.411 2.037 2.683 . 0 0 "[ . 1 . 2]" 1
178 1 32 VAL MG1 1 44 PHE QR . . 3.210 2.216 1.975 2.400 . 0 0 "[ . 1 . 2]" 1
179 1 32 VAL HA 1 32 VAL MG1 . . 3.260 2.222 2.165 2.354 . 0 0 "[ . 1 . 2]" 1
180 1 60 THR HA 1 60 THR MG . . 2.960 2.238 2.210 2.300 . 0 0 "[ . 1 . 2]" 1
181 1 45 ALA MB 1 58 LEU HA . . 3.430 3.123 2.879 3.331 . 0 0 "[ . 1 . 2]" 1
182 1 2 PRO HG2 1 3 THR MG . . 3.310 3.048 2.297 3.354 0.044 20 0 "[ . 1 . 2]" 1
183 1 32 VAL MG1 1 44 PHE HB3 . . 3.910 2.588 2.464 2.761 . 0 0 "[ . 1 . 2]" 1
184 1 33 PHE HA 1 33 PHE QE . . 5.020 4.699 4.693 4.704 . 0 0 "[ . 1 . 2]" 1
185 1 33 PHE HA 1 44 PHE QR . . 5.350 4.668 4.588 4.718 . 0 0 "[ . 1 . 2]" 1
186 1 33 PHE HA 1 33 PHE QD . . 4.100 3.133 3.110 3.142 . 0 0 "[ . 1 . 2]" 1
187 1 41 TRP HZ3 1 69 TYR HA . . 4.000 2.583 2.476 2.706 . 0 0 "[ . 1 . 2]" 1
188 1 69 TYR HA 1 69 TYR QD . . 4.130 3.051 2.943 3.117 . 0 0 "[ . 1 . 2]" 1
189 1 33 PHE HA 1 44 PHE HA . . 4.580 4.458 4.354 4.509 . 0 0 "[ . 1 . 2]" 1
190 1 33 PHE HA 1 42 GLU HB3 . . 5.500 5.516 5.413 5.539 0.039 17 0 "[ . 1 . 2]" 1
191 1 32 VAL MG1 1 69 TYR HA . . 4.970 4.445 4.342 4.604 . 0 0 "[ . 1 . 2]" 1
192 1 34 ARG QG 1 69 TYR HA . . 5.420 4.438 3.666 5.239 . 0 0 "[ . 1 . 2]" 1
193 1 34 ARG HB3 1 69 TYR HA . . 5.490 4.834 4.311 5.255 . 0 0 "[ . 1 . 2]" 1
194 1 69 TYR HA 1 94 VAL MG1 . . 5.500 4.566 4.450 4.698 . 0 0 "[ . 1 . 2]" 1
195 1 68 ILE MG 1 69 TYR HA . . 4.070 3.572 3.531 3.667 . 0 0 "[ . 1 . 2]" 1
196 1 69 TYR HA 1 70 LYS HB3 . . 4.660 4.654 4.442 4.713 0.053 18 0 "[ . 1 . 2]" 1
197 1 32 VAL MG1 1 33 PHE HA . . 4.490 3.886 3.740 3.973 . 0 0 "[ . 1 . 2]" 1
198 1 33 PHE HB2 1 70 LYS HB3 . . 4.500 2.468 2.345 2.576 . 0 0 "[ . 1 . 2]" 1
199 1 33 PHE HB2 1 41 TRP HE3 . . 4.310 3.517 3.447 3.556 . 0 0 "[ . 1 . 2]" 1
200 1 33 PHE HB3 1 41 TRP HB2 . . 4.310 3.533 3.464 3.659 . 0 0 "[ . 1 . 2]" 1
201 1 33 PHE HB3 1 41 TRP HB3 . . 4.410 2.134 2.030 2.246 . 0 0 "[ . 1 . 2]" 1
202 1 18 ASP HB3 1 21 ARG QD . . 4.540 3.324 3.132 3.522 . 0 0 "[ . 1 . 2]" 1
203 1 34 ARG HD2 1 44 PHE QR . . 4.510 3.663 2.818 4.556 0.046 9 0 "[ . 1 . 2]" 1
204 1 48 LYS H 1 48 LYS QE . . 4.840 4.833 4.748 4.849 0.009 14 0 "[ . 1 . 2]" 1
205 1 35 LYS HA 1 41 TRP HZ3 . . 4.760 3.617 3.308 3.844 . 0 0 "[ . 1 . 2]" 1
206 1 35 LYS HA 1 35 LYS QD . . 3.480 2.091 2.010 2.138 . 0 0 "[ . 1 . 2]" 1
207 1 35 LYS HA 1 35 LYS QG . . 3.800 3.125 3.108 3.141 . 0 0 "[ . 1 . 2]" 1
208 1 35 LYS HA 1 41 TRP HA . . 3.870 2.746 2.690 2.777 . 0 0 "[ . 1 . 2]" 1
209 1 35 LYS HA 1 36 ALA HA . . 4.560 4.402 4.391 4.421 . 0 0 "[ . 1 . 2]" 1
210 1 35 LYS HB3 1 41 TRP HZ3 . . 4.480 3.522 3.383 3.558 . 0 0 "[ . 1 . 2]" 1
211 1 34 ARG HA 1 35 LYS HB3 . . 4.720 4.540 4.524 4.555 . 0 0 "[ . 1 . 2]" 1
212 1 35 LYS HB3 1 35 LYS QE . . 4.360 3.529 3.510 3.555 . 0 0 "[ . 1 . 2]" 1
213 1 35 LYS HB3 1 68 ILE HB . . 3.840 2.305 2.055 2.495 . 0 0 "[ . 1 . 2]" 1
214 1 35 LYS HB3 1 35 LYS QD . . 3.430 3.441 3.412 3.460 0.030 14 0 "[ . 1 . 2]" 1
215 1 35 LYS HB2 1 41 TRP HZ3 . . 4.770 2.532 2.443 2.585 . 0 0 "[ . 1 . 2]" 1
216 1 35 LYS HB2 1 36 ALA H . . 4.590 4.248 4.209 4.320 . 0 0 "[ . 1 . 2]" 1
217 1 35 LYS QD 1 41 TRP H . . 5.300 5.036 4.829 5.143 . 0 0 "[ . 1 . 2]" 1
218 1 35 LYS QD 1 41 TRP HZ2 . . 5.110 5.079 4.956 5.152 0.042 10 0 "[ . 1 . 2]" 1
219 1 35 LYS QD 1 41 TRP HH2 . . 5.050 5.002 4.862 5.135 0.085 11 0 "[ . 1 . 2]" 1
220 1 35 LYS QD 1 41 TRP HZ3 . . 4.960 4.789 4.601 4.889 . 0 0 "[ . 1 . 2]" 1
221 1 35 LYS QD 1 36 ALA HA . . 4.490 4.367 4.317 4.414 . 0 0 "[ . 1 . 2]" 1
222 1 35 LYS QD 1 39 ASP QB . . 4.150 3.905 3.881 3.922 . 0 0 "[ . 1 . 2]" 1
223 1 35 LYS HB2 1 35 LYS QD . . 3.130 2.828 2.782 2.860 . 0 0 "[ . 1 . 2]" 1
224 1 35 LYS QE 1 41 TRP HZ2 . . 3.780 3.058 2.997 3.171 . 0 0 "[ . 1 . 2]" 1
225 1 35 LYS QE 1 41 TRP HD1 . . 5.420 5.065 4.909 5.313 . 0 0 "[ . 1 . 2]" 1
226 1 35 LYS QE 1 41 TRP HH2 . . 4.150 3.040 2.880 3.221 . 0 0 "[ . 1 . 2]" 1
227 1 35 LYS QE 1 39 ASP HA . . 3.610 2.948 2.939 2.958 . 0 0 "[ . 1 . 2]" 1
228 1 35 LYS HA 1 35 LYS QE . . 4.210 3.018 2.850 3.237 . 0 0 "[ . 1 . 2]" 1
229 1 35 LYS QE 1 39 ASP QB . . 3.850 3.883 3.846 3.956 0.106 10 0 "[ . 1 . 2]" 1
230 1 35 LYS HB2 1 35 LYS QE . . 3.400 2.056 1.990 2.157 . 0 0 "[ . 1 . 2]" 1
231 1 35 LYS QE 1 68 ILE MD . . 3.740 3.719 3.630 3.745 0.005 13 0 "[ . 1 . 2]" 1
232 1 80 LYS H 1 81 ALA HA . . 5.010 4.972 4.965 4.977 . 0 0 "[ . 1 . 2]" 1
233 1 37 ALA HA 1 38 ASP H . . 3.350 3.328 3.297 3.351 0.001 1 0 "[ . 1 . 2]" 1
234 1 37 ALA MB 1 39 ASP H . . 4.600 4.410 4.394 4.449 . 0 0 "[ . 1 . 2]" 1
235 1 37 ALA MB 1 38 ASP H . . 3.330 3.208 3.145 3.285 . 0 0 "[ . 1 . 2]" 1
236 1 38 ASP HB2 1 39 ASP H . . 4.550 4.430 4.288 4.486 . 0 0 "[ . 1 . 2]" 1
237 1 38 ASP HB3 1 40 THR MG . . 4.340 2.058 1.972 2.186 . 0 0 "[ . 1 . 2]" 1
238 1 37 ALA HA 1 38 ASP HA . . 4.740 4.574 4.562 4.584 . 0 0 "[ . 1 . 2]" 1
239 1 38 ASP HA 1 39 ASP QB . . 4.040 4.060 4.034 4.107 0.067 6 0 "[ . 1 . 2]" 1
240 1 37 ALA MB 1 38 ASP HA . . 4.240 4.029 3.973 4.073 . 0 0 "[ . 1 . 2]" 1
241 1 38 ASP HA 1 40 THR MG . . 4.410 4.263 4.147 4.312 . 0 0 "[ . 1 . 2]" 1
242 1 38 ASP H 1 39 ASP HA . . 4.790 4.676 4.636 4.712 . 0 0 "[ . 1 . 2]" 1
243 1 36 ALA H 1 39 ASP HA . . 5.000 4.783 4.645 5.003 0.003 17 0 "[ . 1 . 2]" 1
244 1 38 ASP HA 1 39 ASP HA . . 5.110 4.913 4.895 4.941 . 0 0 "[ . 1 . 2]" 1
245 1 36 ALA MB 1 39 ASP HA . . 4.900 4.872 4.834 4.919 0.019 11 0 "[ . 1 . 2]" 1
246 1 35 LYS QD 1 39 ASP HA . . 3.210 1.991 1.944 2.016 . 0 0 "[ . 1 . 2]" 1
247 1 35 LYS QG 1 39 ASP HA . . 3.960 3.868 3.790 3.909 . 0 0 "[ . 1 . 2]" 1
248 1 39 ASP QB 1 40 THR HA . . 4.280 4.262 4.241 4.296 0.016 8 0 "[ . 1 . 2]" 1
249 1 38 ASP H 1 39 ASP QB . . 5.270 5.170 5.144 5.191 . 0 0 "[ . 1 . 2]" 1
250 1 39 ASP QB 1 40 THR H . . 3.840 3.764 3.723 3.819 . 0 0 "[ . 1 . 2]" 1
251 1 85 SER H 1 85 SER HA . . 2.930 2.764 2.763 2.766 . 0 0 "[ . 1 . 2]" 1
252 1 40 THR HA 1 40 THR MG . . 2.860 2.345 2.292 2.398 . 0 0 "[ . 1 . 2]" 1
253 1 76 LYS QB 1 77 SER HA . . 4.630 4.377 4.246 4.608 . 0 0 "[ . 1 . 2]" 1
254 1 77 SER HA 1 80 LYS HB3 . . 3.710 3.540 2.948 3.655 . 0 0 "[ . 1 . 2]" 1
255 1 40 THR H 1 40 THR HB . . 4.010 3.772 3.745 3.815 . 0 0 "[ . 1 . 2]" 1
256 1 40 THR HB 1 41 TRP H . . 3.200 2.081 1.950 2.294 . 0 0 "[ . 1 . 2]" 1
257 1 40 THR HB 1 41 TRP HB2 . . 4.840 4.655 4.502 4.785 . 0 0 "[ . 1 . 2]" 1
258 1 36 ALA MB 1 40 THR HB . . 4.160 4.030 3.919 4.175 0.015 15 0 "[ . 1 . 2]" 1
259 1 38 ASP HB2 1 40 THR MG . . 4.340 3.618 3.218 3.806 . 0 0 "[ . 1 . 2]" 1
260 1 96 THR HA 1 96 THR MG . . 3.520 2.271 2.194 2.344 . 0 0 "[ . 1 . 2]" 1
261 1 40 THR HA 1 41 TRP HB2 . . 4.720 4.717 4.680 4.734 0.014 10 0 "[ . 1 . 2]" 1
262 1 42 GLU H 1 42 GLU HB3 . . 3.640 3.537 3.506 3.549 . 0 0 "[ . 1 . 2]" 1
263 1 51 GLU H 1 51 GLU QG . . 3.070 2.037 2.020 2.078 . 0 0 "[ . 1 . 2]" 1
264 1 62 GLU H 1 62 GLU HG3 . . 3.450 2.650 2.602 2.689 . 0 0 "[ . 1 . 2]" 1
265 1 51 GLU QG 1 52 SER H . . 3.600 2.390 2.354 2.432 . 0 0 "[ . 1 . 2]" 1
266 1 33 PHE QD 1 42 GLU QG . . 5.110 5.020 4.991 5.087 . 0 0 "[ . 1 . 2]" 1
267 1 60 THR HB 1 62 GLU HG3 . . 4.240 3.499 3.396 3.528 . 0 0 "[ . 1 . 2]" 1
268 1 42 GLU QG 1 43 PRO HD3 . . 3.520 3.481 3.438 3.542 0.022 17 0 "[ . 1 . 2]" 1
269 1 51 GLU HA 1 51 GLU QG . . 3.360 3.316 3.314 3.318 . 0 0 "[ . 1 . 2]" 1
270 1 42 GLU QG 1 43 PRO HD2 . . 3.300 2.825 2.752 2.933 . 0 0 "[ . 1 . 2]" 1
271 1 51 GLU QG 1 52 SER HB2 . . 3.870 3.577 3.291 3.875 0.005 14 0 "[ . 1 . 2]" 1
272 1 51 GLU QB 1 51 GLU QG . . 2.400 2.034 2.032 2.046 . 0 0 "[ . 1 . 2]" 1
273 1 36 ALA MB 1 42 GLU QG . . 2.980 2.216 2.061 2.298 . 0 0 "[ . 1 . 2]" 1
274 1 26 ILE MD 1 51 GLU QG . . 3.500 3.574 3.564 3.599 0.099 12 0 "[ . 1 . 2]" 1
275 1 50 SER H 1 50 SER HB3 . . 4.170 3.690 3.017 3.823 . 0 0 "[ . 1 . 2]" 1
276 1 43 PRO HA 1 45 ALA H . . 4.190 4.182 4.140 4.201 0.011 12 0 "[ . 1 . 2]" 1
277 1 33 PHE QE 1 43 PRO HA . . 4.130 3.237 3.161 3.287 . 0 0 "[ . 1 . 2]" 1
278 1 33 PHE QD 1 43 PRO HA . . 3.790 2.725 2.618 2.753 . 0 0 "[ . 1 . 2]" 1
279 1 33 PHE HA 1 43 PRO HA . . 3.920 3.060 3.025 3.116 . 0 0 "[ . 1 . 2]" 1
280 1 43 PRO HA 1 44 PHE HB2 . . 4.650 4.619 4.580 4.656 0.006 1 0 "[ . 1 . 2]" 1
281 1 43 PRO HA 1 44 PHE HB3 . . 4.890 4.654 4.616 4.703 . 0 0 "[ . 1 . 2]" 1
282 1 43 PRO HB2 1 44 PHE H . . 3.920 3.718 3.697 3.736 . 0 0 "[ . 1 . 2]" 1
283 1 33 PHE QE 1 43 PRO HB2 . . 4.760 4.697 4.650 4.724 . 0 0 "[ . 1 . 2]" 1
284 1 33 PHE QD 1 43 PRO HB2 . . 5.020 5.023 4.952 5.033 0.013 5 0 "[ . 1 . 2]" 1
285 1 33 PHE HA 1 43 PRO HB2 . . 5.500 5.515 5.494 5.569 0.069 9 0 "[ . 1 . 2]" 1
286 1 2 PRO HB2 1 3 THR MG . . 3.640 2.587 2.277 3.049 . 0 0 "[ . 1 . 2]" 1
287 1 42 GLU HA 1 43 PRO HB3 . . 4.890 4.857 4.846 4.861 . 0 0 "[ . 1 . 2]" 1
288 1 33 PHE QE 1 43 PRO HB3 . . 4.360 3.089 3.048 3.107 . 0 0 "[ . 1 . 2]" 1
289 1 33 PHE QE 1 43 PRO HG3 . . 4.700 4.588 4.564 4.639 . 0 0 "[ . 1 . 2]" 1
290 1 33 PHE QE 1 43 PRO HG2 . . 5.490 5.517 5.506 5.544 0.054 9 0 "[ . 1 . 2]" 1
291 1 33 PHE QD 1 43 PRO HG2 . . 5.450 5.416 5.375 5.433 . 0 0 "[ . 1 . 2]" 1
292 1 33 PHE QD 1 43 PRO HG3 . . 5.340 5.142 5.111 5.174 . 0 0 "[ . 1 . 2]" 1
293 1 42 GLU HA 1 43 PRO HG2 . . 4.710 4.564 4.514 4.580 . 0 0 "[ . 1 . 2]" 1
294 1 42 GLU HA 1 43 PRO HG3 . . 4.590 4.510 4.471 4.522 . 0 0 "[ . 1 . 2]" 1
295 1 107 ILE HA 1 108 ALA H . . 3.380 2.145 2.139 2.175 . 0 0 "[ . 1 . 2]" 1
296 1 44 PHE HA 1 44 PHE QR . . 3.330 2.489 2.342 2.729 . 0 0 "[ . 1 . 2]" 1
297 1 33 PHE HA 1 44 PHE HB3 . . 4.420 3.014 2.917 3.083 . 0 0 "[ . 1 . 2]" 1
298 1 33 PHE HA 1 44 PHE HB2 . . 4.420 2.976 2.818 3.073 . 0 0 "[ . 1 . 2]" 1
299 1 32 VAL MG2 1 44 PHE HB3 . . 4.640 4.401 4.274 4.490 . 0 0 "[ . 1 . 2]" 1
300 1 32 VAL MG1 1 44 PHE HB2 . . 3.810 3.685 3.501 3.784 . 0 0 "[ . 1 . 2]" 1
301 1 15 LYS HB2 1 15 LYS QG . . 2.800 2.480 2.464 2.511 . 0 0 "[ . 1 . 2]" 1
302 1 46 SER H 1 46 SER HB2 . . 3.830 3.785 3.753 3.824 . 0 0 "[ . 1 . 2]" 1
303 1 46 SER HB2 1 47 GLY H . . 3.660 3.609 3.565 3.652 . 0 0 "[ . 1 . 2]" 1
304 1 1 GLY HA2 1 2 PRO QD . . 2.740 2.310 2.187 2.539 . 0 0 "[ . 1 . 2]" 1
305 1 24 PRO HB3 1 53 GLY HA2 . . 3.850 3.781 3.685 3.854 0.004 3 0 "[ . 1 . 2]" 1
306 1 47 GLY HA2 1 48 LYS HG2 . . 5.090 4.947 4.861 4.995 . 0 0 "[ . 1 . 2]" 1
307 1 47 GLY HA2 1 48 LYS HG3 . . 4.580 3.503 3.422 3.563 . 0 0 "[ . 1 . 2]" 1
308 1 47 GLY HA2 1 55 LEU MD1 . . 4.040 3.607 3.278 3.931 . 0 0 "[ . 1 . 2]" 1
309 1 47 GLY HA3 1 55 LEU MD1 . . 3.740 2.307 1.983 2.606 . 0 0 "[ . 1 . 2]" 1
310 1 30 VAL HB 1 47 GLY HA3 . . 5.340 4.629 4.541 4.730 . 0 0 "[ . 1 . 2]" 1
311 1 47 GLY HA3 1 48 LYS QB . . 5.500 4.869 4.843 4.883 . 0 0 "[ . 1 . 2]" 1
312 1 47 GLY HA3 1 55 LEU HG . . 4.780 4.036 3.832 4.262 . 0 0 "[ . 1 . 2]" 1
313 1 47 GLY HA3 1 58 LEU HG . . 5.190 4.303 4.226 4.400 . 0 0 "[ . 1 . 2]" 1
314 1 47 GLY HA3 1 48 LYS HA . . 4.510 4.423 4.403 4.438 . 0 0 "[ . 1 . 2]" 1
315 1 28 VAL HB 1 48 LYS HA . . 4.800 4.068 4.019 4.155 . 0 0 "[ . 1 . 2]" 1
316 1 48 LYS HA 1 48 LYS HG2 . . 3.910 2.593 2.567 2.630 . 0 0 "[ . 1 . 2]" 1
317 1 48 LYS HA 1 48 LYS HG3 . . 3.880 2.991 2.978 3.045 . 0 0 "[ . 1 . 2]" 1
318 1 48 LYS HA 1 49 THR MG . . 4.030 3.438 3.352 3.593 . 0 0 "[ . 1 . 2]" 1
319 1 30 VAL MG2 1 48 LYS HA . . 4.020 3.200 3.123 3.257 . 0 0 "[ . 1 . 2]" 1
320 1 28 VAL MG1 1 48 LYS HA . . 4.620 4.434 4.345 4.583 . 0 0 "[ . 1 . 2]" 1
321 1 27 ASN HB3 1 48 LYS QB . . 4.790 3.993 3.880 4.087 . 0 0 "[ . 1 . 2]" 1
322 1 48 LYS QB 1 48 LYS QE . . 4.100 3.524 3.519 3.531 . 0 0 "[ . 1 . 2]" 1
323 1 27 ASN HB2 1 48 LYS QB . . 5.070 4.795 4.711 4.857 . 0 0 "[ . 1 . 2]" 1
324 1 13 MET QB 1 15 LYS HB2 . . 4.840 4.760 4.473 4.868 0.028 2 0 "[ . 1 . 2]" 1
325 1 13 MET ME 1 15 LYS HB2 . . 3.860 2.266 1.949 2.847 . 0 0 "[ . 1 . 2]" 1
326 1 48 LYS H 1 48 LYS HG2 . . 4.110 4.087 3.989 4.116 0.006 17 0 "[ . 1 . 2]" 1
327 1 30 VAL H 1 48 LYS HG2 . . 3.920 3.517 3.481 3.571 . 0 0 "[ . 1 . 2]" 1
328 1 48 LYS H 1 48 LYS HD2 . . 4.360 4.365 4.351 4.374 0.014 19 0 "[ . 1 . 2]" 1
329 1 48 LYS HA 1 48 LYS HD2 . . 4.750 4.632 4.624 4.641 . 0 0 "[ . 1 . 2]" 1
330 1 48 LYS HA 1 48 LYS HD3 . . 4.650 4.437 4.412 4.466 . 0 0 "[ . 1 . 2]" 1
331 1 27 ASN HA 1 48 LYS HD2 . . 3.940 3.804 3.681 3.841 . 0 0 "[ . 1 . 2]" 1
332 1 27 ASN HA 1 48 LYS HD3 . . 4.000 2.907 2.816 3.015 . 0 0 "[ . 1 . 2]" 1
333 1 15 LYS HA 1 15 LYS QD . . 4.260 2.531 2.423 2.797 . 0 0 "[ . 1 . 2]" 1
334 1 48 LYS HA 1 48 LYS QE . . 4.990 4.657 4.642 4.677 . 0 0 "[ . 1 . 2]" 1
335 1 29 ALA HA 1 48 LYS QE . . 4.320 3.318 3.252 3.419 . 0 0 "[ . 1 . 2]" 1
336 1 27 ASN HA 1 48 LYS QE . . 5.150 4.836 4.725 4.922 . 0 0 "[ . 1 . 2]" 1
337 1 48 LYS HD3 1 48 LYS QE . . 2.400 2.318 2.264 2.362 . 0 0 "[ . 1 . 2]" 1
338 1 48 LYS QE 1 48 LYS HG2 . . 2.840 2.496 2.459 2.544 . 0 0 "[ . 1 . 2]" 1
339 1 48 LYS QE 1 48 LYS HG3 . . 2.920 2.306 2.252 2.351 . 0 0 "[ . 1 . 2]" 1
340 1 49 THR HA 1 54 GLU H . . 5.430 4.846 4.721 4.963 . 0 0 "[ . 1 . 2]" 1
341 1 49 THR HA 1 55 LEU HG . . 5.350 5.335 5.229 5.390 0.040 12 0 "[ . 1 . 2]" 1
342 1 110 MET H 1 118 THR HB . . 4.430 3.265 2.809 4.031 . 0 0 "[ . 1 . 2]" 1
343 1 16 VAL MG2 1 49 THR HB . . 4.350 4.135 4.001 4.320 . 0 0 "[ . 1 . 2]" 1
344 1 110 MET HG2 1 118 THR HB . . 4.640 4.578 4.254 4.639 . 0 0 "[ . 1 . 2]" 1
345 1 110 MET HB2 1 118 THR HB . . 4.040 2.043 1.987 2.151 . 0 0 "[ . 1 . 2]" 1
346 1 110 MET HB3 1 118 THR HB . . 4.140 3.580 2.985 3.813 . 0 0 "[ . 1 . 2]" 1
347 1 28 VAL HB 1 49 THR HB . . 4.640 3.975 3.930 4.308 . 0 0 "[ . 1 . 2]" 1
348 1 16 VAL H 1 49 THR MG . . 4.040 2.949 2.790 3.048 . 0 0 "[ . 1 . 2]" 1
349 1 27 ASN H 1 49 THR MG . . 5.050 4.907 4.813 4.947 . 0 0 "[ . 1 . 2]" 1
350 1 15 LYS HA 1 49 THR MG . . 4.370 3.994 3.828 4.081 . 0 0 "[ . 1 . 2]" 1
351 1 49 THR HA 1 49 THR MG . . 3.350 2.419 2.303 2.455 . 0 0 "[ . 1 . 2]" 1
352 1 16 VAL HB 1 49 THR MG . . 3.480 2.078 1.971 2.552 . 0 0 "[ . 1 . 2]" 1
353 1 28 VAL HB 1 49 THR MG . . 3.250 2.016 1.950 2.139 . 0 0 "[ . 1 . 2]" 1
354 1 51 GLU HA 1 53 GLY H . . 4.380 3.958 3.865 4.073 . 0 0 "[ . 1 . 2]" 1
355 1 51 GLU QB 1 52 SER H . . 3.900 3.628 3.613 3.650 . 0 0 "[ . 1 . 2]" 1
356 1 23 SER HA 1 24 PRO HG2 . . 4.650 4.599 4.583 4.605 . 0 0 "[ . 1 . 2]" 1
357 1 60 THR HA 1 61 GLU QB . . 4.500 4.255 4.189 4.476 . 0 0 "[ . 1 . 2]" 1
358 1 60 THR HB 1 61 GLU QB . . 4.110 3.922 3.837 3.999 . 0 0 "[ . 1 . 2]" 1
359 1 26 ILE MG 1 51 GLU QB . . 4.280 4.200 4.173 4.231 . 0 0 "[ . 1 . 2]" 1
360 1 51 GLU QG 1 52 SER HA . . 4.380 4.172 4.063 4.214 . 0 0 "[ . 1 . 2]" 1
361 1 24 PRO HG2 1 52 SER HA . . 3.660 3.727 3.717 3.736 0.076 3 0 "[ . 1 . 2]" 1
362 1 24 PRO HG3 1 52 SER HA . . 3.640 2.947 2.875 3.043 . 0 0 "[ . 1 . 2]" 1
363 1 24 PRO HB3 1 52 SER HA . . 4.350 4.087 3.950 4.293 . 0 0 "[ . 1 . 2]" 1
364 1 52 SER H 1 52 SER HB3 . . 4.120 2.934 2.221 3.568 . 0 0 "[ . 1 . 2]" 1
365 1 51 GLU QG 1 52 SER HB3 . . 5.290 4.513 3.581 5.084 . 0 0 "[ . 1 . 2]" 1
366 1 51 GLU QB 1 52 SER HB2 . . 5.340 4.994 4.767 5.330 . 0 0 "[ . 1 . 2]" 1
367 1 52 SER H 1 53 GLY HA2 . . 4.590 4.566 4.541 4.600 0.010 13 0 "[ . 1 . 2]" 1
368 1 67 GLY HA3 1 69 TYR QD . . 5.410 4.801 4.531 5.215 . 0 0 "[ . 1 . 2]" 1
369 1 1 GLY HA3 1 2 PRO QD . . 2.740 2.260 2.030 2.406 . 0 0 "[ . 1 . 2]" 1
370 1 24 PRO HB3 1 53 GLY HA3 . . 3.990 2.409 2.266 2.551 . 0 0 "[ . 1 . 2]" 1
371 1 49 THR MG 1 53 GLY HA3 . . 4.450 4.337 4.167 4.439 . 0 0 "[ . 1 . 2]" 1
372 1 15 LYS QD 1 54 GLU HA . . 4.600 2.604 2.319 3.083 . 0 0 "[ . 1 . 2]" 1
373 1 49 THR MG 1 54 GLU HA . . 4.260 4.015 3.774 4.235 . 0 0 "[ . 1 . 2]" 1
374 1 18 ASP HA 1 111 LEU HB3 . . 4.550 3.441 3.401 3.534 . 0 0 "[ . 1 . 2]" 1
375 1 55 LEU HG 1 56 HIS HA . . 4.710 3.960 3.889 4.097 . 0 0 "[ . 1 . 2]" 1
376 1 58 LEU HA 1 58 LEU HG . . 3.880 2.829 2.737 2.908 . 0 0 "[ . 1 . 2]" 1
377 1 47 GLY HA2 1 55 LEU MD2 . . 4.040 3.694 3.423 3.861 . 0 0 "[ . 1 . 2]" 1
378 1 47 GLY HA3 1 55 LEU MD2 . . 3.740 2.502 2.058 2.783 . 0 0 "[ . 1 . 2]" 1
379 1 108 ALA H 1 120 ALA MB . . 3.670 2.745 2.334 3.044 . 0 0 "[ . 1 . 2]" 1
380 1 120 ALA H 1 120 ALA MB . . 3.550 2.422 2.242 2.641 . 0 0 "[ . 1 . 2]" 1
381 1 120 ALA MB 1 121 VAL H . . 3.550 3.192 2.876 3.351 . 0 0 "[ . 1 . 2]" 1
382 1 83 GLY HA3 1 84 ILE MD . . 4.710 4.029 3.937 4.080 . 0 0 "[ . 1 . 2]" 1
383 1 31 HIS HA 1 46 SER H . . 5.150 4.837 4.802 4.912 . 0 0 "[ . 1 . 2]" 1
384 1 30 VAL HA 1 73 ILE HG12 . . 4.430 3.859 3.627 4.007 . 0 0 "[ . 1 . 2]" 1
385 1 46 SER H 1 58 LEU MD2 . . 4.190 1.919 1.874 1.965 . 0 0 "[ . 1 . 2]" 1
386 1 58 LEU H 1 58 LEU MD2 . . 4.300 3.887 3.800 4.115 . 0 0 "[ . 1 . 2]" 1
387 1 82 LEU MD2 1 83 GLY H . . 4.450 4.505 4.492 4.520 0.070 7 0 "[ . 1 . 2]" 1
388 1 46 SER HA 1 58 LEU MD2 . . 4.230 2.529 2.417 2.617 . 0 0 "[ . 1 . 2]" 1
389 1 32 VAL HB 1 58 LEU MD2 . . 4.670 4.115 3.885 4.288 . 0 0 "[ . 1 . 2]" 1
390 1 58 LEU HB3 1 58 LEU MD2 . . 3.450 2.301 2.213 2.353 . 0 0 "[ . 1 . 2]" 1
391 1 32 VAL HB 1 58 LEU MD1 . . 4.670 3.429 3.058 3.696 . 0 0 "[ . 1 . 2]" 1
392 1 59 THR HA 1 63 GLU QG . . 4.620 4.500 4.412 4.619 . 0 0 "[ . 1 . 2]" 1
393 1 59 THR HA 1 60 THR MG . . 3.630 3.621 3.607 3.633 0.003 9 0 "[ . 1 . 2]" 1
394 1 59 THR H 1 59 THR HB . . 4.170 3.817 3.770 3.862 . 0 0 "[ . 1 . 2]" 1
395 1 60 THR HA 1 61 GLU H . . 3.530 2.493 2.441 2.533 . 0 0 "[ . 1 . 2]" 1
396 1 59 THR MG 1 60 THR HA . . 5.430 5.419 5.401 5.431 0.001 3 0 "[ . 1 . 2]" 1
397 1 80 LYS HA 1 83 GLY H . . 3.760 3.090 3.047 3.130 . 0 0 "[ . 1 . 2]" 1
398 1 60 THR HB 1 61 GLU HA . . 4.820 4.617 4.589 4.659 . 0 0 "[ . 1 . 2]" 1
399 1 60 THR HB 1 63 GLU HB3 . . 5.500 4.529 4.364 4.678 . 0 0 "[ . 1 . 2]" 1
400 1 60 THR HA 1 61 GLU HA . . 4.590 4.312 4.309 4.315 . 0 0 "[ . 1 . 2]" 1
401 1 61 GLU HA 1 64 PHE QB . . 4.370 2.561 2.454 2.808 . 0 0 "[ . 1 . 2]" 1
402 1 51 GLU HA 1 51 GLU QB . . 2.750 2.172 2.172 2.173 . 0 0 "[ . 1 . 2]" 1
403 1 76 LYS HA 1 76 LYS QD . . 4.540 3.773 3.703 3.932 . 0 0 "[ . 1 . 2]" 1
404 1 60 THR MG 1 61 GLU HA . . 5.500 5.542 5.531 5.559 0.059 10 0 "[ . 1 . 2]" 1
405 1 62 GLU H 1 62 GLU HG2 . . 3.450 2.374 2.343 2.443 . 0 0 "[ . 1 . 2]" 1
406 1 60 THR H 1 63 GLU QG . . 4.010 3.626 3.552 3.729 . 0 0 "[ . 1 . 2]" 1
407 1 60 THR HB 1 62 GLU HG2 . . 4.240 4.240 4.225 4.250 0.010 10 0 "[ . 1 . 2]" 1
408 1 63 GLU QG 1 64 PHE QB . . 4.700 4.409 4.272 4.574 . 0 0 "[ . 1 . 2]" 1
409 1 127 GLU HA 1 127 GLU QG . . 3.360 2.879 2.296 3.351 . 0 0 "[ . 1 . 2]" 1
410 1 60 THR H 1 63 GLU HA . . 5.380 5.368 5.338 5.388 0.008 4 0 "[ . 1 . 2]" 1
411 1 63 GLU HA 1 65 VAL MG1 . . 4.200 3.783 3.545 4.066 . 0 0 "[ . 1 . 2]" 1
412 1 63 GLU HB2 1 64 PHE H . . 4.330 4.092 4.021 4.115 . 0 0 "[ . 1 . 2]" 1
413 1 60 THR H 1 63 GLU HB2 . . 3.920 3.797 3.664 3.864 . 0 0 "[ . 1 . 2]" 1
414 1 126 LYS HA 1 127 GLU H . . 3.550 3.434 3.124 3.516 . 0 0 "[ . 1 . 2]" 1
415 1 63 GLU HA 1 63 GLU QG . . 3.240 2.971 2.493 3.134 . 0 0 "[ . 1 . 2]" 1
416 1 59 THR MG 1 64 PHE QB . . 4.770 4.487 4.167 4.721 . 0 0 "[ . 1 . 2]" 1
417 1 65 VAL HA 1 65 VAL MG2 . . 3.230 3.197 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
418 1 65 VAL HA 1 65 VAL MG1 . . 2.780 2.321 2.149 2.399 . 0 0 "[ . 1 . 2]" 1
419 1 65 VAL MG1 1 66 GLU H . . 3.540 3.473 3.368 3.540 0.000 1 0 "[ . 1 . 2]" 1
420 1 64 PHE HA 1 65 VAL MG1 . . 4.340 3.984 3.787 4.262 . 0 0 "[ . 1 . 2]" 1
421 1 68 ILE MG 1 94 VAL MG1 . . 2.620 1.907 1.873 1.995 . 0 0 "[ . 1 . 2]" 1
422 1 41 TRP HH2 1 68 ILE MG . . 3.160 1.932 1.898 1.979 . 0 0 "[ . 1 . 2]" 1
423 1 41 TRP HZ3 1 68 ILE MG . . 3.460 2.432 2.270 2.655 . 0 0 "[ . 1 . 2]" 1
424 1 68 ILE MG 1 94 VAL HA . . 4.750 3.936 3.814 4.038 . 0 0 "[ . 1 . 2]" 1
425 1 68 ILE HA 1 68 ILE MG . . 3.420 2.294 2.265 2.315 . 0 0 "[ . 1 . 2]" 1
426 1 41 TRP HZ2 1 68 ILE MG . . 3.940 3.863 3.811 3.914 . 0 0 "[ . 1 . 2]" 1
427 1 68 ILE MG 1 69 TYR H . . 3.330 2.168 2.140 2.238 . 0 0 "[ . 1 . 2]" 1
428 1 35 LYS QG 1 68 ILE MG . . 4.470 4.121 3.878 4.332 . 0 0 "[ . 1 . 2]" 1
429 1 66 GLU HA 1 66 GLU HG2 . . 3.820 3.539 2.781 3.818 . 0 0 "[ . 1 . 2]" 1
430 1 66 GLU HA 1 97 ALA MB . . 4.710 3.158 2.847 3.382 . 0 0 "[ . 1 . 2]" 1
431 1 66 GLU H 1 66 GLU HB3 . . 3.710 2.714 2.526 2.936 . 0 0 "[ . 1 . 2]" 1
432 1 66 GLU HA 1 66 GLU HG3 . . 3.820 3.295 2.236 3.811 . 0 0 "[ . 1 . 2]" 1
433 1 63 GLU QG 1 65 VAL MG1 . . 4.810 4.574 4.291 4.791 . 0 0 "[ . 1 . 2]" 1
434 1 59 THR MG 1 63 GLU QG . . 4.100 2.734 2.390 2.849 . 0 0 "[ . 1 . 2]" 1
435 1 67 GLY HA2 1 68 ILE HA . . 4.780 4.353 4.326 4.383 . 0 0 "[ . 1 . 2]" 1
436 1 67 GLY HA2 1 68 ILE HG12 . . 5.500 5.420 5.362 5.500 . 0 0 "[ . 1 . 2]" 1
437 1 67 GLY HA2 1 68 ILE HB . . 5.390 5.173 5.084 5.256 . 0 0 "[ . 1 . 2]" 1
438 1 67 GLY HA2 1 68 ILE HG13 . . 4.700 3.827 3.759 3.971 . 0 0 "[ . 1 . 2]" 1
439 1 67 GLY HA2 1 97 ALA MB . . 4.350 3.914 3.075 4.345 . 0 0 "[ . 1 . 2]" 1
440 1 24 PRO HG3 1 53 GLY HA3 . . 4.440 4.237 4.013 4.405 . 0 0 "[ . 1 . 2]" 1
441 1 68 ILE HA 1 68 ILE HG12 . . 3.890 3.487 3.446 3.549 . 0 0 "[ . 1 . 2]" 1
442 1 68 ILE HA 1 68 ILE HG13 . . 3.620 2.474 2.460 2.491 . 0 0 "[ . 1 . 2]" 1
443 1 68 ILE HA 1 96 THR HA . . 3.760 2.136 1.997 2.242 . 0 0 "[ . 1 . 2]" 1
444 1 68 ILE HA 1 69 TYR QD . . 4.480 3.192 3.020 3.477 . 0 0 "[ . 1 . 2]" 1
445 1 35 LYS QE 1 68 ILE HB . . 4.550 3.674 3.558 3.843 . 0 0 "[ . 1 . 2]" 1
446 1 67 GLY HA3 1 68 ILE HB . . 5.350 5.042 4.970 5.131 . 0 0 "[ . 1 . 2]" 1
447 1 35 LYS HA 1 68 ILE HB . . 4.580 4.554 4.460 4.598 0.018 17 0 "[ . 1 . 2]" 1
448 1 68 ILE HB 1 69 TYR H . . 4.940 3.766 3.742 3.823 . 0 0 "[ . 1 . 2]" 1
449 1 68 ILE HB 1 68 ILE MD . . 2.960 2.100 2.043 2.131 . 0 0 "[ . 1 . 2]" 1
450 1 68 ILE MD 1 68 ILE MG . . 3.160 3.055 3.015 3.116 . 0 0 "[ . 1 . 2]" 1
451 1 35 LYS QG 1 68 ILE MD . . 4.070 2.081 1.958 2.167 . 0 0 "[ . 1 . 2]" 1
452 1 68 ILE MD 1 96 THR HA . . 4.340 4.185 3.955 4.334 . 0 0 "[ . 1 . 2]" 1
453 1 68 ILE HA 1 68 ILE MD . . 3.820 3.593 3.496 3.641 . 0 0 "[ . 1 . 2]" 1
454 1 67 GLY HA3 1 68 ILE MD . . 4.430 3.686 3.503 3.929 . 0 0 "[ . 1 . 2]" 1
455 1 67 GLY HA2 1 68 ILE MD . . 4.690 3.113 2.879 3.175 . 0 0 "[ . 1 . 2]" 1
456 1 41 TRP HH2 1 68 ILE MD . . 4.490 4.328 4.158 4.494 0.004 10 0 "[ . 1 . 2]" 1
457 1 41 TRP HZ3 1 68 ILE MD . . 4.930 4.590 4.463 4.742 . 0 0 "[ . 1 . 2]" 1
458 1 35 LYS H 1 68 ILE MD . . 4.440 4.422 4.352 4.450 0.010 9 0 "[ . 1 . 2]" 1
459 1 68 ILE MG 1 69 TYR QD . . 4.610 4.361 4.240 4.522 . 0 0 "[ . 1 . 2]" 1
460 1 68 ILE HG13 1 69 TYR H . . 4.700 4.471 4.427 4.507 . 0 0 "[ . 1 . 2]" 1
461 1 68 ILE H 1 68 ILE HG12 . . 4.170 3.927 3.839 4.034 . 0 0 "[ . 1 . 2]" 1
462 1 79 TRP HA 1 84 ILE HG12 . . 4.410 4.432 4.422 4.449 0.039 12 0 "[ . 1 . 2]" 1
463 1 17 LEU HG 1 24 PRO HA . . 4.200 2.146 2.123 2.162 . 0 0 "[ . 1 . 2]" 1
464 1 84 ILE HA 1 84 ILE HG12 . . 3.650 3.543 3.537 3.554 . 0 0 "[ . 1 . 2]" 1
465 1 17 LEU HG 1 24 PRO HD3 . . 3.890 3.371 3.256 3.563 . 0 0 "[ . 1 . 2]" 1
466 1 68 ILE HG12 1 68 ILE MG . . 3.170 2.142 2.114 2.170 . 0 0 "[ . 1 . 2]" 1
467 1 45 ALA MB 1 58 LEU HB3 . . 3.830 1.997 1.960 2.048 . 0 0 "[ . 1 . 2]" 1
468 1 32 VAL MG2 1 58 LEU HB3 . . 4.040 3.913 3.713 4.046 0.006 17 0 "[ . 1 . 2]" 1
469 1 58 LEU HB3 1 59 THR H . . 4.530 2.966 2.846 3.194 . 0 0 "[ . 1 . 2]" 1
470 1 72 GLU HA 1 92 GLU HG2 . . 4.690 3.258 2.762 4.285 . 0 0 "[ . 1 . 2]" 1
471 1 72 GLU HA 1 92 GLU HB3 . . 3.900 3.846 3.674 3.909 0.009 12 0 "[ . 1 . 2]" 1
472 1 72 GLU HA 1 73 ILE HG12 . . 4.830 4.808 4.758 4.838 0.008 7 0 "[ . 1 . 2]" 1
473 1 70 LYS HA 1 71 VAL MG2 . . 4.100 3.665 3.597 3.734 . 0 0 "[ . 1 . 2]" 1
474 1 70 LYS HA 1 94 VAL MG1 . . 4.370 3.535 3.412 3.683 . 0 0 "[ . 1 . 2]" 1
475 1 70 LYS HA 1 94 VAL MG2 . . 3.750 3.228 3.153 3.338 . 0 0 "[ . 1 . 2]" 1
476 1 70 LYS HA 1 95 PHE H . . 4.450 3.304 3.192 3.400 . 0 0 "[ . 1 . 2]" 1
477 1 69 TYR H 1 70 LYS HA . . 5.030 4.782 4.722 4.921 . 0 0 "[ . 1 . 2]" 1
478 1 31 HIS HB2 1 72 GLU HB2 . . 4.480 2.528 2.318 2.716 . 0 0 "[ . 1 . 2]" 1
479 1 13 MET QB 1 106 THR HA . . 3.600 2.184 1.972 2.466 . 0 0 "[ . 1 . 2]" 1
480 1 12 LEU HA 1 13 MET QB . . 4.230 4.005 3.889 4.117 . 0 0 "[ . 1 . 2]" 1
481 1 13 MET QB 1 14 VAL H . . 4.380 3.630 3.449 3.806 . 0 0 "[ . 1 . 2]" 1
482 1 13 MET H 1 13 MET QB . . 3.630 2.510 2.350 2.639 . 0 0 "[ . 1 . 2]" 1
483 1 70 LYS HB3 1 70 LYS HE3 . . 5.180 3.067 1.914 3.615 . 0 0 "[ . 1 . 2]" 1
484 1 70 LYS HB3 1 94 VAL MG2 . . 4.320 4.136 3.972 4.258 . 0 0 "[ . 1 . 2]" 1
485 1 70 LYS HB2 1 94 VAL MG2 . . 4.170 2.819 2.562 3.003 . 0 0 "[ . 1 . 2]" 1
486 1 70 LYS HA 1 70 LYS HD2 . . 5.090 4.800 4.736 4.906 . 0 0 "[ . 1 . 2]" 1
487 1 70 LYS HA 1 70 LYS HD3 . . 4.640 4.508 4.451 4.706 0.066 9 0 "[ . 1 . 2]" 1
488 1 70 LYS HD2 1 92 GLU HB2 . . 4.730 4.218 3.772 4.749 0.019 9 0 "[ . 1 . 2]" 1
489 1 33 PHE QD 1 70 LYS HD3 . . 5.500 5.354 4.440 5.507 0.007 10 0 "[ . 1 . 2]" 1
490 1 70 LYS QG 1 71 VAL H . . 4.770 2.740 2.355 2.896 . 0 0 "[ . 1 . 2]" 1
491 1 126 LYS QG 1 127 GLU H . . 3.920 2.633 2.118 3.934 0.014 15 0 "[ . 1 . 2]" 1
492 1 82 LEU H 1 82 LEU HG . . 3.640 2.128 2.110 2.155 . 0 0 "[ . 1 . 2]" 1
493 1 126 LYS QG 1 127 GLU QG . . 3.930 3.388 2.587 3.949 0.019 20 0 "[ . 1 . 2]" 1
494 1 9 LYS QD 1 9 LYS HG2 . . 2.760 2.328 2.156 2.476 . 0 0 "[ . 1 . 2]" 1
495 1 9 LYS QD 1 9 LYS HG3 . . 2.760 2.278 2.155 2.513 . 0 0 "[ . 1 . 2]" 1
496 1 93 VAL H 1 93 VAL MG2 . . 3.210 2.958 2.866 3.029 . 0 0 "[ . 1 . 2]" 1
497 1 94 VAL H 1 94 VAL MG2 . . 3.350 2.647 2.524 2.752 . 0 0 "[ . 1 . 2]" 1
498 1 122 VAL H 1 122 VAL MG2 . . 3.430 2.570 2.244 2.708 . 0 0 "[ . 1 . 2]" 1
499 1 94 VAL HA 1 94 VAL MG2 . . 2.940 2.401 2.351 2.435 . 0 0 "[ . 1 . 2]" 1
500 1 32 VAL MG2 1 71 VAL MG2 . . 2.720 2.372 2.198 2.476 . 0 0 "[ . 1 . 2]" 1
501 1 30 VAL MG1 1 32 VAL MG2 . . 2.950 2.777 2.752 2.811 . 0 0 "[ . 1 . 2]" 1
502 1 32 VAL MG2 1 46 SER HA . . 3.880 3.235 3.130 3.325 . 0 0 "[ . 1 . 2]" 1
503 1 93 VAL HA 1 94 VAL MG2 . . 3.520 3.501 3.434 3.537 0.017 4 0 "[ . 1 . 2]" 1
504 1 32 VAL HA 1 32 VAL MG2 . . 3.370 2.418 2.406 2.433 . 0 0 "[ . 1 . 2]" 1
505 1 31 HIS H 1 71 VAL MG1 . . 3.620 3.242 3.121 3.332 . 0 0 "[ . 1 . 2]" 1
506 1 71 VAL MG1 1 72 GLU HA . . 3.970 3.508 3.439 3.672 . 0 0 "[ . 1 . 2]" 1
507 1 71 VAL HA 1 71 VAL MG1 . . 3.350 2.402 2.376 2.421 . 0 0 "[ . 1 . 2]" 1
508 1 14 VAL MG1 1 107 ILE HB . . 3.620 3.425 3.264 3.583 . 0 0 "[ . 1 . 2]" 1
509 1 14 VAL MG2 1 107 ILE HB . . 3.800 3.491 3.244 3.792 . 0 0 "[ . 1 . 2]" 1
510 1 30 VAL MG2 1 49 THR MG . . 2.720 2.434 2.395 2.548 . 0 0 "[ . 1 . 2]" 1
511 1 94 VAL HA 1 94 VAL MG1 . . 3.190 2.322 2.283 2.406 . 0 0 "[ . 1 . 2]" 1
512 1 72 GLU H 1 72 GLU HG3 . . 4.710 3.421 2.960 4.531 . 0 0 "[ . 1 . 2]" 1
513 1 73 ILE H 1 73 ILE MD . . 4.090 3.850 3.792 3.950 . 0 0 "[ . 1 . 2]" 1
514 1 73 ILE MD 1 91 ALA H . . 4.860 4.756 4.631 4.857 . 0 0 "[ . 1 . 2]" 1
515 1 16 VAL H 1 73 ILE MD . . 5.500 5.365 5.122 5.500 0.000 7 0 "[ . 1 . 2]" 1
516 1 17 LEU H 1 73 ILE MD . . 5.500 5.321 5.133 5.505 0.005 7 0 "[ . 1 . 2]" 1
517 1 107 ILE MD 1 122 VAL H . . 4.540 2.276 1.906 2.542 . 0 0 "[ . 1 . 2]" 1
518 1 106 THR H 1 107 ILE MD . . 4.480 4.262 3.965 4.480 . 5 0 "[ . 1 . 2]" 1
519 1 107 ILE MD 1 108 ALA H . . 3.840 3.674 3.542 3.833 . 0 0 "[ . 1 . 2]" 1
520 1 107 ILE MD 1 121 VAL H . . 4.620 4.580 4.376 4.627 0.007 19 0 "[ . 1 . 2]" 1
521 1 105 TYR QR 1 107 ILE MD . . 5.060 3.938 2.028 5.024 . 0 0 "[ . 1 . 2]" 1
522 1 95 PHE QD 1 107 ILE MD . . 4.470 3.610 2.247 4.158 . 0 0 "[ . 1 . 2]" 1
523 1 95 PHE QE 1 107 ILE MD . . 3.960 3.337 2.552 3.910 . 0 0 "[ . 1 . 2]" 1
524 1 73 ILE MD 1 109 ALA HA . . 5.500 5.416 5.176 5.510 0.010 16 0 "[ . 1 . 2]" 1
525 1 72 GLU HA 1 73 ILE MD . . 5.270 5.017 4.924 5.093 . 0 0 "[ . 1 . 2]" 1
526 1 73 ILE HA 1 73 ILE MD . . 4.000 3.860 3.852 3.872 . 0 0 "[ . 1 . 2]" 1
527 1 107 ILE HA 1 107 ILE MD . . 3.730 2.041 1.967 2.171 . 0 0 "[ . 1 . 2]" 1
528 1 107 ILE MD 1 121 VAL HA . . 4.000 2.085 1.933 2.163 . 0 0 "[ . 1 . 2]" 1
529 1 16 VAL HB 1 73 ILE MD . . 4.930 4.775 4.659 4.924 . 0 0 "[ . 1 . 2]" 1
530 1 73 ILE MD 1 109 ALA MB . . 3.120 2.889 2.650 2.992 . 0 0 "[ . 1 . 2]" 1
531 1 73 ILE MD 1 111 LEU MD2 . . 4.220 4.129 3.870 4.239 0.019 18 0 "[ . 1 . 2]" 1
532 1 105 TYR HB2 1 107 ILE MD . . 5.100 4.236 3.409 5.082 . 0 0 "[ . 1 . 2]" 1
533 1 107 ILE HB 1 107 ILE MD . . 3.650 3.222 3.216 3.230 . 0 0 "[ . 1 . 2]" 1
534 1 107 ILE MD 1 119 MET ME . . 5.070 4.672 4.207 4.971 . 0 0 "[ . 1 . 2]" 1
535 1 107 ILE MD 1 122 VAL MG2 . . 3.200 2.979 2.368 3.196 . 0 0 "[ . 1 . 2]" 1
536 1 107 ILE MD 1 107 ILE MG . . 2.770 1.988 1.923 2.120 . 0 0 "[ . 1 . 2]" 1
537 1 73 ILE MG 1 90 HIS HA . . 5.500 5.031 4.841 5.194 . 0 0 "[ . 1 . 2]" 1
538 1 107 ILE MG 1 108 ALA HA . . 4.060 3.935 3.725 4.055 . 0 0 "[ . 1 . 2]" 1
539 1 73 ILE MG 1 74 ASP HA . . 4.230 3.964 3.860 4.085 . 0 0 "[ . 1 . 2]" 1
540 1 30 VAL HA 1 73 ILE MG . . 3.760 3.748 3.617 3.781 0.021 17 0 "[ . 1 . 2]" 1
541 1 73 ILE MG 1 75 THR HA . . 4.490 3.529 3.389 3.696 . 0 0 "[ . 1 . 2]" 1
542 1 28 VAL HA 1 73 ILE MG . . 4.860 4.431 4.318 4.584 . 0 0 "[ . 1 . 2]" 1
543 1 73 ILE HG12 1 73 ILE MG . . 3.410 2.381 2.337 2.415 . 0 0 "[ . 1 . 2]" 1
544 1 73 ILE MG 1 75 THR MG . . 3.440 2.457 2.130 2.634 . 0 0 "[ . 1 . 2]" 1
545 1 107 ILE MG 1 109 ALA MB . . 3.770 3.065 2.844 3.217 . 0 0 "[ . 1 . 2]" 1
546 1 107 ILE HG12 1 107 ILE MG . . 3.220 3.194 3.183 3.202 . 0 0 "[ . 1 . 2]" 1
547 1 73 ILE MG 1 111 LEU MD2 . . 3.440 3.003 2.819 3.152 . 0 0 "[ . 1 . 2]" 1
548 1 107 ILE MG 1 108 ALA H . . 3.490 2.777 2.460 3.199 . 0 0 "[ . 1 . 2]" 1
549 1 26 ILE HB 1 27 ASN HB2 . . 5.100 4.095 4.092 4.098 . 0 0 "[ . 1 . 2]" 1
550 1 73 ILE HA 1 73 ILE MG . . 3.430 2.290 2.205 2.368 . 0 0 "[ . 1 . 2]" 1
551 1 43 PRO HB2 1 44 PHE HA . . 4.800 4.530 4.514 4.556 . 0 0 "[ . 1 . 2]" 1
552 1 41 TRP HA 1 42 GLU HA . . 4.810 4.398 4.395 4.400 . 0 0 "[ . 1 . 2]" 1
553 1 73 ILE HA 1 74 ASP HA . . 5.160 4.377 4.374 4.385 . 0 0 "[ . 1 . 2]" 1
554 1 42 GLU HA 1 43 PRO HD3 . . 3.100 2.324 2.298 2.333 . 0 0 "[ . 1 . 2]" 1
555 1 15 LYS QE 1 15 LYS QG . . 2.810 2.352 2.106 2.561 . 0 0 "[ . 1 . 2]" 1
556 1 15 LYS QE 1 106 THR MG . . 3.710 2.681 2.394 2.963 . 0 0 "[ . 1 . 2]" 1
557 1 28 VAL MG1 1 74 ASP HB2 . . 5.500 4.188 3.665 4.832 . 0 0 "[ . 1 . 2]" 1
558 1 74 ASP HA 1 75 THR HA . . 4.980 4.515 4.456 4.540 . 0 0 "[ . 1 . 2]" 1
559 1 75 THR HA 1 78 TYR HB2 . . 5.090 3.580 3.389 3.800 . 0 0 "[ . 1 . 2]" 1
560 1 28 VAL MG1 1 75 THR HA . . 4.310 3.487 3.224 3.653 . 0 0 "[ . 1 . 2]" 1
561 1 75 THR HB 1 79 TRP HE1 . . 4.750 2.158 2.062 2.392 . 0 0 "[ . 1 . 2]" 1
562 1 75 THR HB 1 111 LEU MD1 . . 4.580 4.161 3.933 4.387 . 0 0 "[ . 1 . 2]" 1
563 1 109 ALA MB 1 110 MET H . . 3.350 2.918 2.770 3.066 . 0 0 "[ . 1 . 2]" 1
564 1 75 THR MG 1 90 HIS HA . . 3.460 3.137 2.931 3.291 . 0 0 "[ . 1 . 2]" 1
565 1 74 ASP HA 1 75 THR MG . . 3.890 3.804 3.728 3.836 . 0 0 "[ . 1 . 2]" 1
566 1 75 THR HA 1 75 THR MG . . 3.500 2.474 2.454 2.494 . 0 0 "[ . 1 . 2]" 1
567 1 28 VAL MG2 1 78 TYR HA . . 5.500 4.436 4.166 4.594 . 0 0 "[ . 1 . 2]" 1
568 1 76 LYS QD 1 77 SER H . . 4.420 2.584 1.923 2.926 . 0 0 "[ . 1 . 2]" 1
569 1 21 ARG HG3 1 23 SER H . . 4.980 4.703 4.625 4.760 . 0 0 "[ . 1 . 2]" 1
570 1 76 LYS QB 1 76 LYS QD . . 2.790 2.212 1.980 2.689 . 0 0 "[ . 1 . 2]" 1
571 1 80 LYS HG3 1 81 ALA HA . . 3.480 3.435 3.267 3.459 . 0 0 "[ . 1 . 2]" 1
572 1 79 TRP H 1 80 LYS HG2 . . 5.500 4.995 4.915 5.481 . 0 0 "[ . 1 . 2]" 1
573 1 79 TRP H 1 80 LYS HG3 . . 5.060 4.525 4.470 4.876 . 0 0 "[ . 1 . 2]" 1
574 1 80 LYS HG3 1 81 ALA H . . 4.710 2.309 2.278 2.426 . 0 0 "[ . 1 . 2]" 1
575 1 80 LYS HG3 1 82 LEU H . . 5.060 4.754 4.737 4.807 . 0 0 "[ . 1 . 2]" 1
576 1 80 LYS H 1 80 LYS HG3 . . 4.130 2.565 2.534 2.819 . 0 0 "[ . 1 . 2]" 1
577 1 80 LYS H 1 80 LYS HG2 . . 4.180 3.214 3.167 3.548 . 0 0 "[ . 1 . 2]" 1
578 1 80 LYS QD 1 80 LYS HG3 . . 2.640 2.154 2.146 2.166 . 0 0 "[ . 1 . 2]" 1
579 1 76 LYS QB 1 76 LYS QE . . 3.420 2.611 1.933 3.372 . 0 0 "[ . 1 . 2]" 1
580 1 74 ASP HB3 1 77 SER QB . . 4.770 3.360 2.880 3.665 . 0 0 "[ . 1 . 2]" 1
581 1 74 ASP HB2 1 77 SER QB . . 4.770 4.231 3.769 4.775 0.005 4 0 "[ . 1 . 2]" 1
582 1 28 VAL HA 1 78 TYR HB3 . . 5.500 5.242 4.566 5.494 . 0 0 "[ . 1 . 2]" 1
583 1 29 ALA MB 1 77 SER QB . . 3.790 3.391 2.964 3.653 . 0 0 "[ . 1 . 2]" 1
584 1 28 VAL HA 1 48 LYS HG2 . . 5.190 4.598 4.544 4.649 . 0 0 "[ . 1 . 2]" 1
585 1 84 ILE HG13 1 85 SER HB2 . . 5.500 5.394 5.329 5.493 . 0 0 "[ . 1 . 2]" 1
586 1 28 VAL HA 1 28 VAL MG1 . . 3.230 2.342 2.309 2.377 . 0 0 "[ . 1 . 2]" 1
587 1 77 SER HA 1 80 LYS QE . . 4.690 3.736 3.454 4.645 . 0 0 "[ . 1 . 2]" 1
588 1 75 THR MG 1 78 TYR HB3 . . 5.080 4.538 4.261 4.772 . 0 0 "[ . 1 . 2]" 1
589 1 28 VAL MG1 1 78 TYR HB3 . . 5.500 4.668 4.187 4.886 . 0 0 "[ . 1 . 2]" 1
590 1 7 GLU QG 1 8 SER HA . . 4.820 4.007 3.209 4.820 . 6 0 "[ . 1 . 2]" 1
591 1 79 TRP HA 1 84 ILE HB . . 3.420 2.727 2.679 2.813 . 0 0 "[ . 1 . 2]" 1
592 1 79 TRP HA 1 82 LEU HG . . 3.960 3.883 3.826 3.938 . 0 0 "[ . 1 . 2]" 1
593 1 79 TRP HA 1 82 LEU MD2 . . 3.700 3.750 3.734 3.809 0.109 7 0 "[ . 1 . 2]" 1
594 1 79 TRP HA 1 84 ILE H . . 4.530 3.369 3.289 3.509 . 0 0 "[ . 1 . 2]" 1
595 1 79 TRP HA 1 79 TRP HE3 . . 3.460 1.971 1.957 1.985 . 0 0 "[ . 1 . 2]" 1
596 1 79 TRP HB2 1 80 LYS H . . 4.860 3.021 2.996 3.077 . 0 0 "[ . 1 . 2]" 1
597 1 79 TRP HB2 1 84 ILE HB . . 4.730 4.356 4.245 4.415 . 0 0 "[ . 1 . 2]" 1
598 1 79 TRP HB3 1 84 ILE HB . . 4.730 2.727 2.593 2.797 . 0 0 "[ . 1 . 2]" 1
599 1 80 LYS HA 1 80 LYS QE . . 4.880 4.709 4.541 4.880 0.000 16 0 "[ . 1 . 2]" 1
600 1 80 LYS HA 1 80 LYS QD . . 3.690 3.677 3.383 3.705 0.015 20 0 "[ . 1 . 2]" 1
601 1 80 LYS HA 1 80 LYS HG3 . . 3.790 3.581 3.573 3.600 . 0 0 "[ . 1 . 2]" 1
602 1 80 LYS H 1 80 LYS HB2 . . 3.650 3.608 3.563 3.613 . 0 0 "[ . 1 . 2]" 1
603 1 80 LYS HB3 1 81 ALA H . . 4.000 3.993 3.857 4.018 0.018 20 0 "[ . 1 . 2]" 1
604 1 80 LYS HB3 1 80 LYS QE . . 3.420 3.212 3.108 3.432 0.012 7 0 "[ . 1 . 2]" 1
605 1 80 LYS HB2 1 80 LYS QD . . 3.280 2.144 2.062 2.279 . 0 0 "[ . 1 . 2]" 1
606 1 7 GLU HB3 1 7 GLU QG . . 2.490 2.362 2.143 2.467 . 0 0 "[ . 1 . 2]" 1
607 1 19 ALA MB 1 110 MET HB3 . . 2.850 2.137 1.974 2.315 . 0 0 "[ . 1 . 2]" 1
608 1 126 LYS H 1 126 LYS QE . . 5.080 4.217 3.743 4.904 . 0 0 "[ . 1 . 2]" 1
609 1 80 LYS QD 1 83 GLY H . . 5.500 5.402 5.035 5.500 0.000 16 0 "[ . 1 . 2]" 1
610 1 80 LYS QD 1 81 ALA H . . 5.150 3.663 3.615 3.737 . 0 0 "[ . 1 . 2]" 1
611 1 80 LYS QD 1 81 ALA HA . . 4.180 3.133 2.920 3.189 . 0 0 "[ . 1 . 2]" 1
612 1 18 ASP HA 1 19 ALA HA . . 4.540 4.361 4.357 4.367 . 0 0 "[ . 1 . 2]" 1
613 1 80 LYS QE 1 81 ALA HA . . 5.250 5.209 5.014 5.259 0.009 19 0 "[ . 1 . 2]" 1
614 1 19 ALA HA 1 110 MET HG2 . . 4.870 4.386 4.276 4.601 . 0 0 "[ . 1 . 2]" 1
615 1 19 ALA HA 1 110 MET HB2 . . 5.500 5.158 5.035 5.344 . 0 0 "[ . 1 . 2]" 1
616 1 19 ALA HA 1 110 MET HG3 . . 5.500 5.211 5.093 5.500 0.000 17 0 "[ . 1 . 2]" 1
617 1 81 ALA MB 1 82 LEU HA . . 4.220 3.952 3.922 4.012 . 0 0 "[ . 1 . 2]" 1
618 1 77 SER QB 1 81 ALA MB . . 5.320 5.052 4.974 5.230 . 0 0 "[ . 1 . 2]" 1
619 1 80 LYS QE 1 81 ALA MB . . 5.500 5.361 5.244 5.541 0.041 7 0 "[ . 1 . 2]" 1
620 1 78 TYR HB3 1 81 ALA MB . . 5.270 5.102 5.008 5.225 . 0 0 "[ . 1 . 2]" 1
621 1 81 ALA MB 1 82 LEU MD1 . . 4.250 3.454 3.359 3.538 . 0 0 "[ . 1 . 2]" 1
622 1 81 ALA MB 1 82 LEU MD2 . . 4.250 3.937 3.853 3.987 . 0 0 "[ . 1 . 2]" 1
623 1 79 TRP H 1 81 ALA MB . . 4.850 4.690 4.627 4.842 . 0 0 "[ . 1 . 2]" 1
624 1 79 TRP HE3 1 84 ILE HB . . 4.050 1.987 1.978 1.996 . 0 0 "[ . 1 . 2]" 1
625 1 79 TRP HE3 1 82 LEU HB2 . . 5.190 5.191 5.094 5.214 0.024 19 0 "[ . 1 . 2]" 1
626 1 83 GLY HA2 1 84 ILE HB . . 5.110 4.949 4.935 4.972 . 0 0 "[ . 1 . 2]" 1
627 1 82 LEU HB2 1 82 LEU MD2 . . 3.150 2.365 2.344 2.419 . 0 0 "[ . 1 . 2]" 1
628 1 82 LEU MD1 1 83 GLY H . . 4.450 2.115 2.100 2.122 . 0 0 "[ . 1 . 2]" 1
629 1 82 LEU H 1 82 LEU MD1 . . 3.750 1.950 1.929 2.017 . 0 0 "[ . 1 . 2]" 1
630 1 79 TRP HA 1 82 LEU MD1 . . 3.700 1.864 1.852 1.883 . 0 0 "[ . 1 . 2]" 1
631 1 21 ARG QD 1 82 LEU MD1 . . 3.920 3.814 3.714 3.924 0.004 17 0 "[ . 1 . 2]" 1
632 1 82 LEU HB2 1 82 LEU MD1 . . 3.150 2.240 2.237 2.247 . 0 0 "[ . 1 . 2]" 1
633 1 82 LEU HB2 1 83 GLY HA3 . . 4.600 4.581 4.566 4.594 . 0 0 "[ . 1 . 2]" 1
634 1 82 LEU H 1 83 GLY HA3 . . 4.830 4.734 4.730 4.738 . 0 0 "[ . 1 . 2]" 1
635 1 79 TRP HA 1 84 ILE MD . . 4.110 4.169 4.157 4.186 0.076 7 0 "[ . 1 . 2]" 1
636 1 84 ILE HA 1 84 ILE MD . . 3.560 2.219 2.199 2.230 . 0 0 "[ . 1 . 2]" 1
637 1 79 TRP HE3 1 84 ILE MD . . 3.650 3.501 3.343 3.605 . 0 0 "[ . 1 . 2]" 1
638 1 79 TRP HZ3 1 84 ILE MD . . 4.190 3.938 3.670 4.148 . 0 0 "[ . 1 . 2]" 1
639 1 84 ILE H 1 84 ILE MD . . 3.880 2.589 2.554 2.631 . 0 0 "[ . 1 . 2]" 1
640 1 82 LEU HB2 1 84 ILE MD . . 3.120 2.364 2.279 2.447 . 0 0 "[ . 1 . 2]" 1
641 1 84 ILE HB 1 84 ILE MD . . 3.540 2.464 2.458 2.476 . 0 0 "[ . 1 . 2]" 1
642 1 84 ILE MD 1 84 ILE MG . . 3.220 3.248 3.244 3.250 0.030 8 0 "[ . 1 . 2]" 1
643 1 26 ILE MD 1 27 ASN HB2 . . 5.400 5.366 5.364 5.368 . 0 0 "[ . 1 . 2]" 1
644 1 26 ILE MD 1 50 SER HA . . 4.320 4.177 4.128 4.255 . 0 0 "[ . 1 . 2]" 1
645 1 26 ILE MD 1 51 GLU HA . . 2.970 2.344 2.267 2.426 . 0 0 "[ . 1 . 2]" 1
646 1 26 ILE MD 1 51 GLU QB . . 3.120 2.126 2.096 2.150 . 0 0 "[ . 1 . 2]" 1
647 1 26 ILE HB 1 26 ILE MD . . 2.870 2.396 2.393 2.399 . 0 0 "[ . 1 . 2]" 1
648 1 26 ILE MD 1 27 ASN HD21 . . 4.490 4.548 4.544 4.552 0.062 13 0 "[ . 1 . 2]" 1
649 1 26 ILE H 1 26 ILE MD . . 4.210 4.087 4.084 4.093 . 0 0 "[ . 1 . 2]" 1
650 1 26 ILE MD 1 27 ASN H . . 4.730 4.710 4.704 4.717 . 0 0 "[ . 1 . 2]" 1
651 1 84 ILE MG 1 113 PRO HB2 . . 4.200 4.100 2.676 4.211 0.011 10 0 "[ . 1 . 2]" 1
652 1 84 ILE HA 1 84 ILE MG . . 3.370 2.769 2.733 2.792 . 0 0 "[ . 1 . 2]" 1
653 1 84 ILE MG 1 85 SER HB2 . . 4.510 3.999 3.945 4.041 . 0 0 "[ . 1 . 2]" 1
654 1 84 ILE MG 1 85 SER HB3 . . 4.510 3.420 3.373 3.457 . 0 0 "[ . 1 . 2]" 1
655 1 79 TRP HB3 1 84 ILE MG . . 4.470 2.398 2.275 2.504 . 0 0 "[ . 1 . 2]" 1
656 1 79 TRP HB2 1 84 ILE MG . . 4.470 3.836 3.698 3.952 . 0 0 "[ . 1 . 2]" 1
657 1 84 ILE HG12 1 84 ILE MG . . 3.530 2.410 2.403 2.428 . 0 0 "[ . 1 . 2]" 1
658 1 84 ILE HG13 1 84 ILE MG . . 3.290 2.350 2.337 2.356 . 0 0 "[ . 1 . 2]" 1
659 1 79 TRP HE3 1 84 ILE MG . . 3.990 2.618 2.597 2.728 . 0 0 "[ . 1 . 2]" 1
660 1 79 TRP HZ3 1 84 ILE MG . . 4.550 3.264 3.181 3.429 . 0 0 "[ . 1 . 2]" 1
661 1 79 TRP HZ2 1 84 ILE MG . . 5.280 4.569 4.444 4.629 . 0 0 "[ . 1 . 2]" 1
662 1 84 ILE MG 1 114 TYR QD . . 5.500 4.756 4.550 4.923 . 0 0 "[ . 1 . 2]" 1
663 1 77 SER QB 1 79 TRP H . . 4.840 4.634 4.329 4.690 . 0 0 "[ . 1 . 2]" 1
664 1 100 SER QB 1 101 GLY H . . 4.910 2.791 1.954 4.019 . 0 0 "[ . 1 . 2]" 1
665 1 84 ILE HG13 1 85 SER HB3 . . 5.500 5.344 5.239 5.484 . 0 0 "[ . 1 . 2]" 1
666 1 87 MET H 1 87 MET ME . . 5.060 4.869 4.371 5.045 . 0 0 "[ . 1 . 2]" 1
667 1 87 MET ME 1 114 TYR QD . . 4.270 2.777 2.046 3.361 . 0 0 "[ . 1 . 2]" 1
668 1 87 MET ME 1 114 TYR QE . . 4.720 3.197 1.962 4.299 . 0 0 "[ . 1 . 2]" 1
669 1 87 MET ME 1 114 TYR HA . . 3.920 3.400 2.272 3.905 . 0 0 "[ . 1 . 2]" 1
670 1 87 MET HA 1 87 MET ME . . 4.740 4.154 3.786 4.579 . 0 0 "[ . 1 . 2]" 1
671 1 17 LEU HA 1 110 MET ME . . 4.660 4.504 4.316 4.622 . 0 0 "[ . 1 . 2]" 1
672 1 19 ALA HA 1 110 MET ME . . 3.230 2.014 1.967 2.242 . 0 0 "[ . 1 . 2]" 1
673 1 22 GLY HA2 1 110 MET ME . . 4.130 2.620 2.390 2.830 . 0 0 "[ . 1 . 2]" 1
674 1 22 GLY HA3 1 110 MET ME . . 4.770 4.036 3.831 4.199 . 0 0 "[ . 1 . 2]" 1
675 1 110 MET ME 1 110 MET HG2 . . 2.930 2.071 1.986 2.235 . 0 0 "[ . 1 . 2]" 1
676 1 17 LEU HB2 1 110 MET ME . . 3.450 3.426 3.339 3.458 0.008 17 0 "[ . 1 . 2]" 1
677 1 19 ALA MB 1 110 MET ME . . 3.120 3.097 2.948 3.132 0.012 20 0 "[ . 1 . 2]" 1
678 1 17 LEU HB3 1 110 MET ME . . 3.190 2.203 2.109 2.342 . 0 0 "[ . 1 . 2]" 1
679 1 19 ALA H 1 110 MET ME . . 4.360 3.742 3.471 3.884 . 0 0 "[ . 1 . 2]" 1
680 1 18 ASP H 1 110 MET ME . . 3.820 3.606 3.362 3.744 . 0 0 "[ . 1 . 2]" 1
681 1 17 LEU H 1 110 MET ME . . 4.840 4.795 4.660 4.855 0.015 19 0 "[ . 1 . 2]" 1
682 1 22 GLY H 1 110 MET ME . . 4.390 3.711 3.475 3.895 . 0 0 "[ . 1 . 2]" 1
683 1 19 ALA MB 1 112 SER HA . . 3.780 3.110 2.846 3.338 . 0 0 "[ . 1 . 2]" 1
684 1 20 VAL MG2 1 112 SER HA . . 3.480 2.553 2.365 2.761 . 0 0 "[ . 1 . 2]" 1
685 1 12 LEU HA 1 12 LEU MD2 . . 3.970 3.210 2.129 3.943 . 0 0 "[ . 1 . 2]" 1
686 1 12 LEU HA 1 12 LEU MD1 . . 3.970 3.061 2.021 4.079 0.109 15 0 "[ . 1 . 2]" 1
687 1 110 MET HA 1 110 MET ME . . 3.670 3.432 3.282 3.578 . 0 0 "[ . 1 . 2]" 1
688 1 15 LYS HA 1 54 GLU H . . 4.750 4.753 4.701 4.774 0.024 16 0 "[ . 1 . 2]" 1
689 1 13 MET HA 1 14 VAL MG2 . . 4.050 3.552 3.410 3.686 . 0 0 "[ . 1 . 2]" 1
690 1 126 LYS QE 1 127 GLU HA . . 4.450 4.129 2.783 4.455 0.005 16 0 "[ . 1 . 2]" 1
691 1 24 PRO HB3 1 25 ALA H . . 4.240 3.921 3.883 4.022 . 0 0 "[ . 1 . 2]" 1
692 1 126 LYS H 1 126 LYS HB2 . . 3.630 3.589 3.561 3.636 0.006 15 0 "[ . 1 . 2]" 1
693 1 118 THR HB 1 119 MET HA . . 4.330 4.208 4.068 4.273 . 0 0 "[ . 1 . 2]" 1
694 1 119 MET HA 1 119 MET ME . . 4.330 4.181 3.850 4.360 0.030 19 0 "[ . 1 . 2]" 1
695 1 31 HIS HB3 1 32 VAL MG2 . . 5.300 4.777 4.750 4.807 . 0 0 "[ . 1 . 2]" 1
696 1 73 ILE H 1 90 HIS HB2 . . 5.210 3.612 3.391 3.909 . 0 0 "[ . 1 . 2]" 1
697 1 74 ASP HA 1 90 HIS HB2 . . 4.680 3.230 2.929 3.485 . 0 0 "[ . 1 . 2]" 1
698 1 90 HIS HB2 1 91 ALA MB . . 5.080 4.340 4.241 4.479 . 0 0 "[ . 1 . 2]" 1
699 1 75 THR MG 1 90 HIS HB2 . . 5.110 4.625 4.462 4.798 . 0 0 "[ . 1 . 2]" 1
700 1 75 THR MG 1 90 HIS HB3 . . 4.880 4.818 4.659 4.884 0.004 15 0 "[ . 1 . 2]" 1
701 1 74 ASP HA 1 90 HIS HA . . 4.260 3.159 2.797 3.419 . 0 0 "[ . 1 . 2]" 1
702 1 90 HIS HA 1 91 ALA HA . . 4.550 4.394 4.364 4.420 . 0 0 "[ . 1 . 2]" 1
703 1 90 HIS HA 1 91 ALA MB . . 4.620 3.898 3.848 3.941 . 0 0 "[ . 1 . 2]" 1
704 1 73 ILE MG 1 90 HIS HB2 . . 5.500 5.159 4.985 5.404 . 0 0 "[ . 1 . 2]" 1
705 1 90 HIS HB3 1 91 ALA H . . 4.070 3.620 3.554 3.783 . 0 0 "[ . 1 . 2]" 1
706 1 75 THR H 1 90 HIS HB2 . . 4.610 4.230 4.042 4.392 . 0 0 "[ . 1 . 2]" 1
707 1 73 ILE HB 1 91 ALA MB . . 3.490 2.513 2.248 2.982 . 0 0 "[ . 1 . 2]" 1
708 1 73 ILE MD 1 91 ALA MB . . 3.550 3.081 2.833 3.410 . 0 0 "[ . 1 . 2]" 1
709 1 74 ASP HA 1 91 ALA MB . . 5.500 5.348 5.249 5.476 . 0 0 "[ . 1 . 2]" 1
710 1 91 ALA H 1 91 ALA MB . . 3.560 2.283 2.199 2.345 . 0 0 "[ . 1 . 2]" 1
711 1 73 ILE H 1 92 GLU HA . . 4.460 3.507 3.388 3.561 . 0 0 "[ . 1 . 2]" 1
712 1 72 GLU HA 1 92 GLU HA . . 3.860 2.366 2.270 2.452 . 0 0 "[ . 1 . 2]" 1
713 1 91 ALA HA 1 92 GLU HA . . 5.100 4.394 4.393 4.395 . 0 0 "[ . 1 . 2]" 1
714 1 91 ALA MB 1 92 GLU HA . . 4.910 4.117 4.082 4.168 . 0 0 "[ . 1 . 2]" 1
715 1 73 ILE HG13 1 92 GLU HA . . 4.700 4.565 4.285 4.701 0.001 20 0 "[ . 1 . 2]" 1
716 1 92 GLU HA 1 93 VAL MG2 . . 4.250 3.655 3.581 3.718 . 0 0 "[ . 1 . 2]" 1
717 1 71 VAL MG1 1 92 GLU HA . . 4.540 4.515 4.444 4.544 0.004 17 0 "[ . 1 . 2]" 1
718 1 70 LYS HD2 1 92 GLU HA . . 5.500 5.134 4.823 5.407 . 0 0 "[ . 1 . 2]" 1
719 1 93 VAL HB 1 119 MET ME . . 4.210 2.468 2.311 2.713 . 0 0 "[ . 1 . 2]" 1
720 1 72 GLU HA 1 92 GLU HG3 . . 4.690 4.179 3.205 4.700 0.010 18 0 "[ . 1 . 2]" 1
721 1 93 VAL HA 1 94 VAL HA . . 4.710 4.386 4.377 4.395 . 0 0 "[ . 1 . 2]" 1
722 1 32 VAL MG2 1 72 GLU H . . 4.460 4.035 3.900 4.179 . 0 0 "[ . 1 . 2]" 1
723 1 41 TRP HH2 1 94 VAL MG2 . . 3.490 3.219 3.097 3.404 . 0 0 "[ . 1 . 2]" 1
724 1 41 TRP HZ3 1 94 VAL MG2 . . 4.580 4.525 4.309 4.586 0.006 9 0 "[ . 1 . 2]" 1
725 1 32 VAL MG2 1 44 PHE QR . . 3.790 3.602 3.431 3.782 . 0 0 "[ . 1 . 2]" 1
726 1 96 THR MG 1 97 ALA H . . 3.660 2.320 1.933 2.881 . 0 0 "[ . 1 . 2]" 1
727 1 20 VAL MG2 1 21 ARG H . . 4.270 3.945 3.862 3.989 . 0 0 "[ . 1 . 2]" 1
728 1 20 VAL MG2 1 79 TRP HH2 . . 3.970 3.178 2.886 3.455 . 0 0 "[ . 1 . 2]" 1
729 1 20 VAL MG2 1 79 TRP HZ3 . . 4.820 4.145 3.879 4.366 . 0 0 "[ . 1 . 2]" 1
730 1 20 VAL MG2 1 114 TYR QE . . 4.250 2.519 1.907 3.189 . 0 0 "[ . 1 . 2]" 1
731 1 20 VAL HA 1 20 VAL MG2 . . 2.850 2.346 2.282 2.390 . 0 0 "[ . 1 . 2]" 1
732 1 20 VAL MG1 1 21 ARG HG2 . . 3.810 3.081 2.968 3.143 . 0 0 "[ . 1 . 2]" 1
733 1 32 VAL HB 1 71 VAL MG2 . . 4.370 4.327 4.199 4.377 0.007 19 0 "[ . 1 . 2]" 1
734 1 69 TYR HB3 1 71 VAL MG2 . . 4.570 3.701 3.562 3.840 . 0 0 "[ . 1 . 2]" 1
735 1 39 ASP QB 1 40 THR MG . . 3.620 3.511 3.458 3.623 0.003 7 0 "[ . 1 . 2]" 1
736 1 95 PHE QB 1 121 VAL MG2 . . 5.000 4.697 4.302 5.004 0.004 17 0 "[ . 1 . 2]" 1
737 1 95 PHE HA 1 96 THR HB . . 5.000 4.719 4.621 4.917 . 0 0 "[ . 1 . 2]" 1
738 1 93 VAL MG1 1 95 PHE QB . . 4.490 4.484 4.456 4.501 0.011 17 0 "[ . 1 . 2]" 1
739 1 96 THR MG 1 97 ALA HA . . 4.510 3.938 3.729 4.250 . 0 0 "[ . 1 . 2]" 1
740 1 17 LEU MD2 1 23 SER HA . . 4.900 2.762 2.432 3.022 . 0 0 "[ . 1 . 2]" 1
741 1 17 LEU HA 1 17 LEU MD1 . . 3.670 3.268 3.085 3.525 . 0 0 "[ . 1 . 2]" 1
742 1 17 LEU HA 1 17 LEU MD2 . . 3.670 3.263 2.979 3.437 . 0 0 "[ . 1 . 2]" 1
743 1 17 LEU MD2 1 24 PRO HD3 . . 4.440 2.896 2.524 3.111 . 0 0 "[ . 1 . 2]" 1
744 1 35 LYS QE 1 41 TRP H . . 5.500 5.436 5.279 5.625 0.125 17 0 "[ . 1 . 2]" 1
745 1 101 GLY HA3 1 102 PRO QD . . 3.420 2.237 2.032 2.414 . 0 0 "[ . 1 . 2]" 1
746 1 100 SER HA 1 101 GLY HA3 . . 5.230 4.449 4.320 4.643 . 0 0 "[ . 1 . 2]" 1
747 1 100 SER HA 1 101 GLY HA2 . . 5.230 4.767 4.308 5.277 0.047 7 0 "[ . 1 . 2]" 1
748 1 101 GLY H 1 102 PRO QD . . 4.840 4.275 4.156 4.365 . 0 0 "[ . 1 . 2]" 1
749 1 124 ASN HB3 1 125 PRO HD3 . . 4.640 3.728 3.327 3.985 . 0 0 "[ . 1 . 2]" 1
750 1 15 LYS H 1 15 LYS QE . . 4.860 4.793 4.549 4.862 0.002 6 0 "[ . 1 . 2]" 1
751 1 105 TYR HB3 1 107 ILE MD . . 5.100 4.083 3.535 5.094 . 0 0 "[ . 1 . 2]" 1
752 1 13 MET H 1 106 THR HA . . 4.180 2.771 2.251 3.260 . 0 0 "[ . 1 . 2]" 1
753 1 106 THR HA 1 107 ILE MD . . 4.580 4.109 3.891 4.313 . 0 0 "[ . 1 . 2]" 1
754 1 13 MET QB 1 106 THR HB . . 4.200 3.771 3.575 4.150 . 0 0 "[ . 1 . 2]" 1
755 1 106 THR HB 1 108 ALA MB . . 5.480 4.971 4.608 5.222 . 0 0 "[ . 1 . 2]" 1
756 1 106 THR H 1 106 THR HB . . 4.060 2.628 2.482 2.740 . 0 0 "[ . 1 . 2]" 1
757 1 13 MET QB 1 106 THR MG . . 3.100 1.981 1.937 2.377 . 0 0 "[ . 1 . 2]" 1
758 1 15 LYS QD 1 106 THR MG . . 3.850 3.799 3.680 3.853 0.003 12 0 "[ . 1 . 2]" 1
759 1 106 THR HA 1 106 THR MG . . 3.120 2.351 2.321 2.392 . 0 0 "[ . 1 . 2]" 1
760 1 122 VAL H 1 123 THR MG . . 4.670 4.426 3.809 4.675 0.005 12 0 "[ . 1 . 2]" 1
761 1 15 LYS H 1 106 THR MG . . 3.580 3.427 3.216 3.604 0.024 2 0 "[ . 1 . 2]" 1
762 1 106 THR MG 1 107 ILE H . . 3.370 2.235 2.037 2.422 . 0 0 "[ . 1 . 2]" 1
763 1 107 ILE HG13 1 119 MET ME . . 4.860 4.709 4.212 4.862 0.002 8 0 "[ . 1 . 2]" 1
764 1 15 LYS H 1 107 ILE HG12 . . 5.500 5.414 5.096 5.521 0.021 19 0 "[ . 1 . 2]" 1
765 1 106 THR H 1 107 ILE HG12 . . 5.500 5.138 4.781 5.441 . 0 0 "[ . 1 . 2]" 1
766 1 14 VAL HA 1 108 ALA HA . . 5.500 5.350 5.064 5.501 0.001 13 0 "[ . 1 . 2]" 1
767 1 107 ILE HA 1 108 ALA HA . . 5.100 4.399 4.387 4.426 . 0 0 "[ . 1 . 2]" 1
768 1 109 ALA HA 1 110 MET HG2 . . 4.980 4.988 4.860 5.010 0.030 2 0 "[ . 1 . 2]" 1
769 1 109 ALA HA 1 110 MET HB2 . . 4.710 4.313 4.278 4.360 . 0 0 "[ . 1 . 2]" 1
770 1 109 ALA HA 1 110 MET HG3 . . 5.050 4.459 4.338 4.562 . 0 0 "[ . 1 . 2]" 1
771 1 109 ALA HA 1 119 MET HB2 . . 4.600 4.314 3.804 4.599 . 0 0 "[ . 1 . 2]" 1
772 1 107 ILE MG 1 109 ALA HA . . 4.430 4.307 3.948 4.438 0.008 16 0 "[ . 1 . 2]" 1
773 1 12 LEU HA 1 13 MET HA . . 4.930 4.398 4.383 4.414 . 0 0 "[ . 1 . 2]" 1
774 1 18 ASP HA 1 110 MET HA . . 5.090 3.982 3.862 4.074 . 0 0 "[ . 1 . 2]" 1
775 1 109 ALA HA 1 110 MET HA . . 4.770 4.390 4.381 4.408 . 0 0 "[ . 1 . 2]" 1
776 1 13 MET ME 1 55 LEU H . . 3.880 3.300 2.485 3.882 0.002 16 0 "[ . 1 . 2]" 1
777 1 119 MET ME 1 120 ALA H . . 5.270 4.442 4.157 5.003 . 0 0 "[ . 1 . 2]" 1
778 1 93 VAL H 1 119 MET ME . . 4.570 4.540 4.457 4.574 0.004 4 0 "[ . 1 . 2]" 1
779 1 94 VAL H 1 119 MET ME . . 5.500 5.472 5.269 5.511 0.011 19 0 "[ . 1 . 2]" 1
780 1 109 ALA HA 1 119 MET ME . . 4.330 4.202 3.513 4.333 0.003 2 0 "[ . 1 . 2]" 1
781 1 93 VAL HA 1 119 MET ME . . 4.900 4.616 4.472 4.711 . 0 0 "[ . 1 . 2]" 1
782 1 19 ALA H 1 110 MET HB3 . . 5.280 3.588 3.465 3.762 . 0 0 "[ . 1 . 2]" 1
783 1 110 MET HB3 1 111 LEU H . . 5.500 2.969 2.872 3.169 . 0 0 "[ . 1 . 2]" 1
784 1 13 MET HA 1 13 MET HG2 . . 3.870 2.448 2.112 2.613 . 0 0 "[ . 1 . 2]" 1
785 1 110 MET HG2 1 111 LEU H . . 4.230 3.876 3.819 4.025 . 0 0 "[ . 1 . 2]" 1
786 1 110 MET H 1 110 MET HG2 . . 3.910 3.855 3.770 3.911 0.001 9 0 "[ . 1 . 2]" 1
787 1 110 MET HA 1 110 MET HG2 . . 3.680 2.192 2.168 2.218 . 0 0 "[ . 1 . 2]" 1
788 1 17 LEU HB2 1 110 MET HG2 . . 3.880 3.174 3.129 3.218 . 0 0 "[ . 1 . 2]" 1
789 1 109 ALA H 1 110 MET HG3 . . 5.450 5.441 5.280 5.480 0.030 19 0 "[ . 1 . 2]" 1
790 1 25 ALA MB 1 111 LEU MD2 . . 3.400 3.024 2.990 3.053 . 0 0 "[ . 1 . 2]" 1
791 1 16 VAL HB 1 111 LEU MD2 . . 4.800 4.759 4.594 4.810 0.010 10 0 "[ . 1 . 2]" 1
792 1 75 THR HA 1 111 LEU MD2 . . 4.370 2.844 2.630 3.084 . 0 0 "[ . 1 . 2]" 1
793 1 111 LEU HA 1 111 LEU MD2 . . 4.040 3.803 3.800 3.808 . 0 0 "[ . 1 . 2]" 1
794 1 75 THR HB 1 111 LEU MD2 . . 4.240 2.004 1.959 2.197 . 0 0 "[ . 1 . 2]" 1
795 1 79 TRP HH2 1 111 LEU MD2 . . 4.660 4.353 4.216 4.473 . 0 0 "[ . 1 . 2]" 1
796 1 79 TRP H 1 111 LEU MD2 . . 5.500 5.160 4.971 5.339 . 0 0 "[ . 1 . 2]" 1
797 1 75 THR H 1 111 LEU MD2 . . 4.930 4.322 4.189 4.460 . 0 0 "[ . 1 . 2]" 1
798 1 18 ASP H 1 111 LEU MD2 . . 5.500 5.152 5.049 5.218 . 0 0 "[ . 1 . 2]" 1
799 1 111 LEU MD2 1 112 SER H . . 5.470 5.079 4.841 5.217 . 0 0 "[ . 1 . 2]" 1
800 1 110 MET HB2 1 111 LEU MD1 . . 5.220 5.102 5.011 5.167 . 0 0 "[ . 1 . 2]" 1
801 1 109 ALA HA 1 111 LEU MD1 . . 5.190 5.117 5.000 5.193 0.003 11 0 "[ . 1 . 2]" 1
802 1 79 TRP HE1 1 111 LEU MD1 . . 5.500 5.069 4.942 5.253 . 0 0 "[ . 1 . 2]" 1
803 1 95 PHE QE 1 121 VAL MG2 . . 5.060 2.059 1.916 2.344 . 0 0 "[ . 1 . 2]" 1
804 1 112 SER HB2 1 114 TYR QD . . 5.500 5.410 4.485 5.523 0.023 13 0 "[ . 1 . 2]" 1
805 1 112 SER HB3 1 114 TYR QD . . 5.500 5.421 5.158 5.535 0.035 16 0 "[ . 1 . 2]" 1
806 1 19 ALA MB 1 112 SER HB2 . . 4.420 2.979 1.891 4.018 . 0 0 "[ . 1 . 2]" 1
807 1 19 ALA MB 1 112 SER HB3 . . 4.420 2.421 1.883 3.371 . 0 0 "[ . 1 . 2]" 1
808 1 20 VAL MG2 1 112 SER HB3 . . 4.450 3.638 3.054 4.454 0.004 13 0 "[ . 1 . 2]" 1
809 1 14 VAL HA 1 107 ILE HB . . 4.140 2.732 2.435 3.075 . 0 0 "[ . 1 . 2]" 1
810 1 118 THR HB 1 119 MET HB2 . . 5.500 5.454 5.344 5.501 0.001 4 0 "[ . 1 . 2]" 1
811 1 109 ALA MB 1 119 MET ME . . 2.920 2.362 1.989 2.504 . 0 0 "[ . 1 . 2]" 1
812 1 93 VAL MG1 1 119 MET ME . . 3.170 2.380 2.108 2.525 . 0 0 "[ . 1 . 2]" 1
813 1 93 VAL MG2 1 119 MET ME . . 2.850 1.939 1.803 2.039 . 0 0 "[ . 1 . 2]" 1
814 1 107 ILE MG 1 119 MET ME . . 2.880 2.474 1.973 2.784 . 0 0 "[ . 1 . 2]" 1
815 1 73 ILE MD 1 119 MET ME . . 3.120 2.911 2.491 3.119 . 0 0 "[ . 1 . 2]" 1
816 1 107 ILE MD 1 120 ALA MB . . 4.650 4.479 4.290 4.660 0.010 19 0 "[ . 1 . 2]" 1
817 1 109 ALA HA 1 120 ALA MB . . 4.760 4.347 4.069 4.678 . 0 0 "[ . 1 . 2]" 1
818 1 108 ALA HA 1 120 ALA MB . . 4.560 4.386 4.186 4.554 . 0 0 "[ . 1 . 2]" 1
819 1 120 ALA MB 1 121 VAL HA . . 4.630 4.126 4.048 4.266 . 0 0 "[ . 1 . 2]" 1
820 1 122 VAL HA 1 122 VAL MG2 . . 3.080 2.406 2.339 2.472 . 0 0 "[ . 1 . 2]" 1
821 1 31 HIS HB3 1 72 GLU HB2 . . 4.960 4.258 4.063 4.456 . 0 0 "[ . 1 . 2]" 1
822 1 121 VAL H 1 121 VAL MG1 . . 4.260 3.872 3.819 3.910 . 0 0 "[ . 1 . 2]" 1
823 1 95 PHE QD 1 121 VAL MG1 . . 4.670 2.224 1.886 2.553 . 0 0 "[ . 1 . 2]" 1
824 1 30 VAL MG1 1 72 GLU H . . 4.550 3.321 3.064 3.489 . 0 0 "[ . 1 . 2]" 1
825 1 95 PHE HA 1 121 VAL MG1 . . 4.620 4.259 3.409 4.621 0.001 19 0 "[ . 1 . 2]" 1
826 1 30 VAL MG1 1 32 VAL HA . . 4.840 4.575 4.501 4.619 . 0 0 "[ . 1 . 2]" 1
827 1 24 PRO HB2 1 25 ALA H . . 3.990 3.413 3.354 3.566 . 0 0 "[ . 1 . 2]" 1
828 1 125 PRO HB2 1 126 LYS H . . 4.290 3.980 3.785 4.234 . 0 0 "[ . 1 . 2]" 1
829 1 125 PRO HB2 1 126 LYS HA . . 5.160 4.899 4.433 5.104 . 0 0 "[ . 1 . 2]" 1
830 1 126 LYS HA 1 126 LYS QG . . 3.590 3.420 3.386 3.435 . 0 0 "[ . 1 . 2]" 1
831 1 126 LYS QD 1 127 GLU QG . . 3.750 2.736 1.950 3.737 . 0 0 "[ . 1 . 2]" 1
832 1 108 ALA H 1 121 VAL HA . . 4.660 4.552 4.260 4.663 0.003 16 0 "[ . 1 . 2]" 1
833 1 125 PRO HD2 1 126 LYS H . . 5.500 5.306 4.950 5.482 . 0 0 "[ . 1 . 2]" 1
834 1 125 PRO HD3 1 126 LYS H . . 5.500 5.387 5.164 5.498 . 0 0 "[ . 1 . 2]" 1
835 1 23 SER H 1 24 PRO HD2 . . 5.130 4.787 4.784 4.790 . 0 0 "[ . 1 . 2]" 1
836 1 23 SER H 1 24 PRO HD3 . . 5.220 4.985 4.962 5.000 . 0 0 "[ . 1 . 2]" 1
837 1 18 ASP H 1 21 ARG HB2 . . 5.130 4.542 4.420 4.619 . 0 0 "[ . 1 . 2]" 1
838 1 20 VAL H 1 21 ARG HB2 . . 5.500 4.860 4.791 4.934 . 0 0 "[ . 1 . 2]" 1
839 1 20 VAL MG1 1 21 ARG HB2 . . 4.910 4.940 4.888 4.958 0.048 13 0 "[ . 1 . 2]" 1
840 1 24 PRO HB3 1 25 ALA MB . . 5.500 5.498 5.478 5.530 0.030 13 0 "[ . 1 . 2]" 1
841 1 17 LEU HA 1 24 PRO HA . . 3.400 1.959 1.950 1.972 . 0 0 "[ . 1 . 2]" 1
842 1 20 VAL H 1 21 ARG HG2 . . 5.330 5.210 5.123 5.309 . 0 0 "[ . 1 . 2]" 1
843 1 21 ARG HG2 1 23 SER H . . 5.500 5.501 5.456 5.520 0.020 18 0 "[ . 1 . 2]" 1
844 1 124 ASN HB3 1 125 PRO HD2 . . 4.640 2.544 1.963 2.965 . 0 0 "[ . 1 . 2]" 1
845 1 17 LEU MD1 1 24 PRO HD3 . . 4.440 3.859 3.736 4.021 . 0 0 "[ . 1 . 2]" 1
846 1 24 PRO HB2 1 53 GLY HA3 . . 3.450 2.395 2.151 2.627 . 0 0 "[ . 1 . 2]" 1
847 1 24 PRO HB2 1 53 GLY HA2 . . 3.400 2.908 2.712 3.000 . 0 0 "[ . 1 . 2]" 1
848 1 124 ASN HA 1 125 PRO HB3 . . 5.120 4.862 4.846 4.872 . 0 0 "[ . 1 . 2]" 1
849 1 42 GLU HB3 1 43 PRO HD2 . . 3.730 2.062 2.014 2.242 . 0 0 "[ . 1 . 2]" 1
850 1 24 PRO HB2 1 54 GLU H . . 4.960 4.761 4.638 4.916 . 0 0 "[ . 1 . 2]" 1
851 1 33 PHE HA 1 43 PRO HB3 . . 5.500 5.352 5.313 5.407 . 0 0 "[ . 1 . 2]" 1
852 1 18 ASP HB2 1 21 ARG HB3 . . 5.090 5.033 4.904 5.112 0.022 20 0 "[ . 1 . 2]" 1
853 1 13 MET HA 1 13 MET ME . . 4.280 4.226 3.154 4.336 0.056 2 0 "[ . 1 . 2]" 1
854 1 13 MET ME 1 56 HIS HD2 . . 4.440 4.266 3.428 4.448 0.008 14 0 "[ . 1 . 2]" 1
855 1 13 MET ME 1 54 GLU H . . 5.100 4.333 4.048 4.594 . 0 0 "[ . 1 . 2]" 1
856 1 13 MET ME 1 54 GLU HA . . 3.730 2.576 1.974 3.050 . 0 0 "[ . 1 . 2]" 1
857 1 13 MET ME 1 15 LYS HA . . 3.790 3.304 2.668 3.489 . 0 0 "[ . 1 . 2]" 1
858 1 13 MET ME 1 15 LYS QE . . 3.350 2.034 1.890 2.482 . 0 0 "[ . 1 . 2]" 1
859 1 13 MET ME 1 13 MET HG3 . . 3.440 2.734 2.118 3.310 . 0 0 "[ . 1 . 2]" 1
860 1 13 MET ME 1 13 MET HG2 . . 3.440 2.505 1.985 3.316 . 0 0 "[ . 1 . 2]" 1
861 1 13 MET ME 1 15 LYS QD . . 2.980 2.150 1.901 2.417 . 0 0 "[ . 1 . 2]" 1
862 1 13 MET ME 1 106 THR MG . . 2.780 1.936 1.806 2.791 0.011 2 0 "[ . 1 . 2]" 1
863 1 13 MET HA 1 13 MET HG3 . . 3.870 3.075 2.661 3.594 . 0 0 "[ . 1 . 2]" 1
864 1 14 VAL HA 1 15 LYS HB2 . . 4.910 4.456 4.376 4.533 . 0 0 "[ . 1 . 2]" 1
865 1 13 MET HA 1 14 VAL HB . . 4.920 4.692 4.653 4.740 . 0 0 "[ . 1 . 2]" 1
866 1 33 PHE QD 1 70 LYS HB2 . . 5.500 5.398 5.302 5.516 0.016 9 0 "[ . 1 . 2]" 1
867 1 70 LYS HB2 1 95 PHE H . . 5.230 4.847 4.693 4.961 . 0 0 "[ . 1 . 2]" 1
868 1 33 PHE QD 1 70 LYS HB3 . . 4.990 3.783 3.688 3.902 . 0 0 "[ . 1 . 2]" 1
869 1 33 PHE HB3 1 70 LYS HB2 . . 5.500 5.219 5.061 5.536 0.036 9 0 "[ . 1 . 2]" 1
870 1 33 PHE HB2 1 70 LYS HB2 . . 5.490 3.968 3.825 4.233 . 0 0 "[ . 1 . 2]" 1
871 1 41 TRP HB3 1 70 LYS HB2 . . 5.500 4.319 4.188 4.739 . 0 0 "[ . 1 . 2]" 1
872 1 32 VAL HA 1 70 LYS HB3 . . 5.170 5.175 5.152 5.205 0.035 9 0 "[ . 1 . 2]" 1
873 1 70 LYS HB3 1 70 LYS HE2 . . 5.180 2.367 2.015 3.484 . 0 0 "[ . 1 . 2]" 1
874 1 15 LYS H 1 15 LYS QD . . 5.010 4.415 4.211 4.661 . 0 0 "[ . 1 . 2]" 1
875 1 9 LYS HA 1 9 LYS QE . . 4.650 3.862 1.995 4.629 . 0 0 "[ . 1 . 2]" 1
876 1 124 ASN HA 1 125 PRO HD2 . . 3.530 2.479 2.402 2.517 . 0 0 "[ . 1 . 2]" 1
877 1 33 PHE QD 1 70 LYS HE2 . . 4.670 3.352 2.635 3.854 . 0 0 "[ . 1 . 2]" 1
878 1 70 LYS HE2 1 72 GLU HB2 . . 5.500 5.111 3.823 5.506 0.006 11 0 "[ . 1 . 2]" 1
879 1 33 PHE HB2 1 70 LYS HE2 . . 5.060 3.067 2.735 4.121 . 0 0 "[ . 1 . 2]" 1
880 1 70 LYS HA 1 70 LYS HE2 . . 5.500 4.893 4.531 5.673 0.173 9 0 "[ . 1 . 2]" 1
881 1 33 PHE QD 1 70 LYS HE3 . . 4.670 3.799 2.258 4.365 . 0 0 "[ . 1 . 2]" 1
882 1 70 LYS HA 1 70 LYS HE3 . . 5.500 5.001 4.290 5.502 0.002 5 0 "[ . 1 . 2]" 1
883 1 33 PHE HB2 1 70 LYS HE3 . . 5.060 4.046 1.996 4.757 . 0 0 "[ . 1 . 2]" 1
884 1 70 LYS HE3 1 72 GLU HB2 . . 5.500 4.462 4.088 4.853 . 0 0 "[ . 1 . 2]" 1
885 1 68 ILE HG12 1 96 THR HA . . 4.680 3.323 2.996 3.521 . 0 0 "[ . 1 . 2]" 1
886 1 126 LYS QE 1 126 LYS QG . . 2.630 2.231 1.986 2.383 . 0 0 "[ . 1 . 2]" 1
887 1 18 ASP HB2 1 25 ALA MB . . 4.540 3.444 3.378 3.476 . 0 0 "[ . 1 . 2]" 1
888 1 80 LYS HB2 1 80 LYS QE . . 3.220 2.606 2.416 2.827 . 0 0 "[ . 1 . 2]" 1
889 1 9 LYS HB2 1 9 LYS QE . . 3.930 3.001 1.979 3.909 . 0 0 "[ . 1 . 2]" 1
890 1 15 LYS HA 1 53 GLY HA2 . . 4.770 4.798 4.761 4.820 0.050 5 0 "[ . 1 . 2]" 1
891 1 107 ILE MG 1 121 VAL HA . . 4.120 2.838 2.335 3.268 . 0 0 "[ . 1 . 2]" 1
892 1 2 PRO HG2 1 3 THR HB . . 5.240 5.074 4.926 5.220 . 0 0 "[ . 1 . 2]" 1
893 1 2 PRO HB2 1 3 THR HB . . 5.380 5.302 5.117 5.462 0.082 20 0 "[ . 1 . 2]" 1
894 1 4 GLY QA 1 5 THR MG . . 3.770 3.482 3.104 3.770 . 0 0 "[ . 1 . 2]" 1
895 1 6 GLY HA2 1 7 GLU QG . . 5.500 4.633 4.001 5.489 . 0 0 "[ . 1 . 2]" 1
896 1 6 GLY HA3 1 7 GLU QG . . 5.500 4.948 4.144 5.490 . 0 0 "[ . 1 . 2]" 1
897 1 21 ARG HA 1 21 ARG QD . . 4.320 4.300 4.220 4.327 0.007 13 0 "[ . 1 . 2]" 1
898 1 20 VAL HB 1 21 ARG HA . . 4.740 4.541 4.447 4.600 . 0 0 "[ . 1 . 2]" 1
899 1 70 LYS HD3 1 72 GLU HG3 . . 5.470 5.058 4.315 5.299 . 0 0 "[ . 1 . 2]" 1
900 1 9 LYS HB3 1 9 LYS QE . . 3.930 2.867 1.984 3.688 . 0 0 "[ . 1 . 2]" 1
901 1 25 ALA MB 1 28 VAL HB . . 4.660 3.897 3.788 4.011 . 0 0 "[ . 1 . 2]" 1
902 1 45 ALA MB 1 58 LEU HB2 . . 3.960 3.398 3.352 3.454 . 0 0 "[ . 1 . 2]" 1
903 1 82 LEU H 1 82 LEU MD2 . . 3.750 3.688 3.684 3.695 . 0 0 "[ . 1 . 2]" 1
904 1 12 LEU H 1 12 LEU HG . . 4.980 4.518 3.330 4.990 0.010 18 0 "[ . 1 . 2]" 1
905 1 27 ASN HD21 1 48 LYS HD2 . . 5.410 5.386 5.258 5.412 0.002 17 0 "[ . 1 . 2]" 1
906 1 27 ASN HD21 1 48 LYS HD3 . . 5.250 4.830 4.730 4.906 . 0 0 "[ . 1 . 2]" 1
907 1 84 ILE H 1 84 ILE HG12 . . 4.190 4.238 4.199 4.269 0.079 16 0 "[ . 1 . 2]" 1
908 1 16 VAL HA 1 16 VAL MG1 . . 3.200 2.308 2.260 2.352 . 0 0 "[ . 1 . 2]" 1
909 1 16 VAL MG1 1 24 PRO HA . . 5.120 4.755 4.681 4.829 . 0 0 "[ . 1 . 2]" 1
910 1 16 VAL MG1 1 25 ALA MB . . 2.810 2.054 1.990 2.161 . 0 0 "[ . 1 . 2]" 1
911 1 17 LEU HA 1 17 LEU HG . . 3.720 2.153 2.137 2.176 . 0 0 "[ . 1 . 2]" 1
912 1 17 LEU HB3 1 110 MET HG2 . . 4.760 2.796 2.713 2.962 . 0 0 "[ . 1 . 2]" 1
913 1 17 LEU HB3 1 110 MET HB3 . . 4.960 4.849 4.736 4.922 . 0 0 "[ . 1 . 2]" 1
914 1 15 LYS QG 1 17 LEU HB3 . . 5.500 5.021 4.888 5.170 . 0 0 "[ . 1 . 2]" 1
915 1 17 LEU HB2 1 24 PRO HA . . 4.930 4.359 4.350 4.375 . 0 0 "[ . 1 . 2]" 1
916 1 79 TRP HE3 1 84 ILE HG12 . . 4.530 2.761 2.651 2.840 . 0 0 "[ . 1 . 2]" 1
917 1 18 ASP HA 1 111 LEU HB2 . . 4.550 2.230 2.154 2.326 . 0 0 "[ . 1 . 2]" 1
918 1 18 ASP HA 1 111 LEU MD2 . . 4.720 3.655 3.560 3.732 . 0 0 "[ . 1 . 2]" 1
919 1 29 ALA HA 1 47 GLY HA2 . . 5.320 5.317 5.176 5.347 0.027 9 0 "[ . 1 . 2]" 1
920 1 19 ALA MB 1 79 TRP HZ2 . . 5.500 5.528 5.510 5.574 0.074 16 0 "[ . 1 . 2]" 1
921 1 35 LYS QG 1 36 ALA MB . . 4.690 4.507 4.467 4.579 . 0 0 "[ . 1 . 2]" 1
922 1 20 VAL HA 1 21 ARG HG2 . . 5.500 5.522 5.447 5.553 0.053 14 0 "[ . 1 . 2]" 1
923 1 19 ALA HA 1 20 VAL HA . . 4.710 4.680 4.670 4.697 . 0 0 "[ . 1 . 2]" 1
924 1 20 VAL HB 1 21 ARG HB2 . . 5.150 4.924 4.866 4.965 . 0 0 "[ . 1 . 2]" 1
925 1 20 VAL MG2 1 112 SER HB2 . . 4.450 4.007 3.740 4.484 0.034 16 0 "[ . 1 . 2]" 1
926 1 94 VAL MG1 1 95 PHE HA . . 3.840 3.659 3.534 3.757 . 0 0 "[ . 1 . 2]" 1
927 1 20 VAL HB 1 21 ARG QD . . 4.720 4.441 4.300 4.590 . 0 0 "[ . 1 . 2]" 1
928 1 21 ARG HB3 1 21 ARG QD . . 3.050 2.840 2.588 2.978 . 0 0 "[ . 1 . 2]" 1
929 1 21 ARG QD 1 21 ARG HG2 . . 2.790 2.377 2.298 2.498 . 0 0 "[ . 1 . 2]" 1
930 1 21 ARG HB2 1 21 ARG QD . . 3.070 2.425 2.271 2.574 . 0 0 "[ . 1 . 2]" 1
931 1 20 VAL MG1 1 21 ARG QD . . 4.390 4.392 4.358 4.430 0.040 16 0 "[ . 1 . 2]" 1
932 1 21 ARG QD 1 82 LEU MD2 . . 3.920 2.070 1.991 2.234 . 0 0 "[ . 1 . 2]" 1
933 1 21 ARG QD 1 25 ALA MB . . 5.280 4.629 4.399 4.869 . 0 0 "[ . 1 . 2]" 1
934 1 21 ARG QD 1 84 ILE MD . . 4.650 4.282 4.001 4.574 . 0 0 "[ . 1 . 2]" 1
935 1 21 ARG HA 1 21 ARG HG3 . . 3.450 3.311 3.246 3.414 . 0 0 "[ . 1 . 2]" 1
936 1 20 VAL HB 1 21 ARG HG2 . . 4.370 3.810 3.663 3.932 . 0 0 "[ . 1 . 2]" 1
937 1 20 VAL HB 1 21 ARG HG3 . . 4.220 2.921 2.825 3.050 . 0 0 "[ . 1 . 2]" 1
938 1 20 VAL MG1 1 21 ARG HG3 . . 3.730 3.339 3.201 3.486 . 0 0 "[ . 1 . 2]" 1
939 1 17 LEU MD1 1 24 PRO HG3 . . 4.650 4.418 4.247 4.659 0.009 3 0 "[ . 1 . 2]" 1
940 1 17 LEU MD2 1 24 PRO HG3 . . 4.650 4.472 4.143 4.649 . 0 0 "[ . 1 . 2]" 1
941 1 22 GLY HA2 1 23 SER HA . . 4.580 4.417 4.400 4.436 . 0 0 "[ . 1 . 2]" 1
942 1 22 GLY HA3 1 23 SER HA . . 4.910 4.583 4.560 4.608 . 0 0 "[ . 1 . 2]" 1
943 1 20 VAL H 1 22 GLY HA2 . . 5.500 5.254 5.164 5.311 . 0 0 "[ . 1 . 2]" 1
944 1 23 SER HA 1 24 PRO HG3 . . 4.730 4.537 4.526 4.542 . 0 0 "[ . 1 . 2]" 1
945 1 36 ALA HA 1 40 THR H . . 4.930 4.952 4.931 4.977 0.047 6 0 "[ . 1 . 2]" 1
946 1 36 ALA HA 1 42 GLU HB2 . . 4.820 4.559 4.174 4.751 . 0 0 "[ . 1 . 2]" 1
947 1 25 ALA HA 1 111 LEU MD2 . . 5.400 5.395 5.337 5.420 0.020 18 0 "[ . 1 . 2]" 1
948 1 25 ALA MB 1 78 TYR QR . . 4.840 2.377 2.338 2.431 . 0 0 "[ . 1 . 2]" 1
949 1 25 ALA MB 1 28 VAL H . . 4.920 4.504 4.463 4.528 . 0 0 "[ . 1 . 2]" 1
950 1 16 VAL H 1 25 ALA MB . . 5.460 5.121 5.080 5.202 . 0 0 "[ . 1 . 2]" 1
951 1 68 ILE MD 1 97 ALA H . . 5.040 4.413 4.243 4.664 . 0 0 "[ . 1 . 2]" 1
952 1 67 GLY H 1 68 ILE MD . . 5.190 5.159 4.908 5.194 0.004 20 0 "[ . 1 . 2]" 1
953 1 26 ILE HA 1 26 ILE HG12 . . 3.930 2.408 2.404 2.412 . 0 0 "[ . 1 . 2]" 1
954 1 27 ASN HA 1 48 LYS QB . . 3.230 2.083 2.042 2.130 . 0 0 "[ . 1 . 2]" 1
955 1 27 ASN HA 1 48 LYS HG3 . . 5.030 4.800 4.767 4.832 . 0 0 "[ . 1 . 2]" 1
956 1 27 ASN HB3 1 28 VAL HA . . 4.970 4.715 4.691 4.742 . 0 0 "[ . 1 . 2]" 1
957 1 45 ALA H 1 58 LEU MD1 . . 5.500 4.948 4.551 5.220 . 0 0 "[ . 1 . 2]" 1
958 1 27 ASN HB2 1 28 VAL MG2 . . 4.980 4.660 4.546 4.760 . 0 0 "[ . 1 . 2]" 1
959 1 31 HIS HB3 1 46 SER HB2 . . 4.710 3.018 2.952 3.069 . 0 0 "[ . 1 . 2]" 1
960 1 45 ALA HA 1 46 SER HB3 . . 4.300 4.001 3.961 4.038 . 0 0 "[ . 1 . 2]" 1
961 1 40 THR HB 1 41 TRP HD1 . . 5.430 4.914 4.804 5.041 . 0 0 "[ . 1 . 2]" 1
962 1 35 LYS HB2 1 68 ILE H . . 4.820 4.129 3.956 4.375 . 0 0 "[ . 1 . 2]" 1
963 1 34 ARG HA 1 35 LYS HB2 . . 5.060 4.686 4.658 4.707 . 0 0 "[ . 1 . 2]" 1
964 1 35 LYS QG 1 39 ASP QB . . 5.500 5.458 5.356 5.508 0.008 9 0 "[ . 1 . 2]" 1
965 1 35 LYS QG 1 41 TRP HE3 . . 5.500 5.311 5.281 5.352 . 0 0 "[ . 1 . 2]" 1
966 1 36 ALA H 1 40 THR HA . . 4.760 4.644 4.570 4.758 . 0 0 "[ . 1 . 2]" 1
967 1 36 ALA H 1 41 TRP HB3 . . 5.500 5.533 5.483 5.612 0.112 11 0 "[ . 1 . 2]" 1
968 1 33 PHE QE 1 43 PRO HD3 . . 4.590 3.633 3.592 3.746 . 0 0 "[ . 1 . 2]" 1
969 1 33 PHE QD 1 43 PRO HD3 . . 4.790 3.496 3.465 3.540 . 0 0 "[ . 1 . 2]" 1
970 1 43 PRO HD3 1 44 PHE H . . 5.500 5.522 5.515 5.528 0.028 19 0 "[ . 1 . 2]" 1
971 1 42 GLU HA 1 43 PRO HD2 . . 3.120 2.463 2.402 2.482 . 0 0 "[ . 1 . 2]" 1
972 1 33 PHE HA 1 41 TRP HE3 . . 5.170 5.057 4.964 5.097 . 0 0 "[ . 1 . 2]" 1
973 1 34 ARG H 1 44 PHE HB2 . . 4.890 3.270 3.131 3.375 . 0 0 "[ . 1 . 2]" 1
974 1 34 ARG H 1 44 PHE HB3 . . 4.960 4.348 4.248 4.471 . 0 0 "[ . 1 . 2]" 1
975 1 44 PHE HB2 1 69 TYR QD . . 5.190 3.352 3.163 3.678 . 0 0 "[ . 1 . 2]" 1
976 1 33 PHE HA 1 34 ARG HB3 . . 5.500 4.388 4.173 4.678 . 0 0 "[ . 1 . 2]" 1
977 1 34 ARG HB2 1 69 TYR HA . . 5.490 4.219 4.013 4.363 . 0 0 "[ . 1 . 2]" 1
978 1 95 PHE QB 1 96 THR HB . . 5.500 5.450 5.342 5.508 0.008 7 0 "[ . 1 . 2]" 1
979 1 30 VAL HA 1 72 GLU HB3 . . 5.500 5.276 4.637 5.512 0.012 14 0 "[ . 1 . 2]" 1
980 1 30 VAL HA 1 31 HIS HB2 . . 5.040 4.796 4.778 4.823 . 0 0 "[ . 1 . 2]" 1
981 1 30 VAL HA 1 31 HIS HB3 . . 5.500 5.589 5.581 5.598 0.098 15 0 "[ . 1 . 2]" 1
982 1 33 PHE QD 1 41 TRP HB3 . . 4.370 3.474 3.340 3.528 . 0 0 "[ . 1 . 2]" 1
983 1 31 HIS HB3 1 33 PHE QE . . 3.890 2.326 2.255 2.469 . 0 0 "[ . 1 . 2]" 1
984 1 31 HIS HB2 1 33 PHE QE . . 3.950 2.036 1.994 2.069 . 0 0 "[ . 1 . 2]" 1
985 1 15 LYS HB3 1 109 ALA H . . 4.680 3.066 2.868 3.288 . 0 0 "[ . 1 . 2]" 1
986 1 27 ASN HB2 1 48 LYS HD3 . . 4.600 4.599 4.503 4.615 0.015 14 0 "[ . 1 . 2]" 1
987 1 106 THR MG 1 108 ALA HA . . 4.250 3.842 3.701 4.000 . 0 0 "[ . 1 . 2]" 1
988 1 46 SER HB3 1 47 GLY HA2 . . 5.250 5.026 4.959 5.085 . 0 0 "[ . 1 . 2]" 1
989 1 33 PHE HA 1 34 ARG HB2 . . 5.500 4.923 4.272 5.591 0.091 10 0 "[ . 1 . 2]" 1
990 1 34 ARG HA 1 41 TRP HZ3 . . 4.540 3.480 3.240 3.628 . 0 0 "[ . 1 . 2]" 1
991 1 34 ARG HA 1 69 TYR HA . . 3.910 2.176 2.073 2.250 . 0 0 "[ . 1 . 2]" 1
992 1 17 LEU HA 1 18 ASP HB3 . . 5.140 5.032 4.961 5.164 0.024 19 0 "[ . 1 . 2]" 1
993 1 36 ALA H 1 37 ALA HA . . 5.500 5.530 5.499 5.585 0.085 17 0 "[ . 1 . 2]" 1
994 1 37 ALA HA 1 40 THR H . . 5.460 5.315 5.308 5.323 . 0 0 "[ . 1 . 2]" 1
995 1 35 LYS QD 1 37 ALA HA . . 4.920 4.636 4.596 4.695 . 0 0 "[ . 1 . 2]" 1
996 1 49 THR HB 1 54 GLU H . . 4.940 3.947 3.765 4.118 . 0 0 "[ . 1 . 2]" 1
997 1 110 MET HG2 1 111 LEU MD1 . . 5.340 5.352 5.294 5.366 0.026 2 0 "[ . 1 . 2]" 1
998 1 21 ARG QD 1 79 TRP HE3 . . 5.500 4.499 4.446 4.561 . 0 0 "[ . 1 . 2]" 1
999 1 30 VAL HB 1 46 SER HA . . 4.640 4.541 4.463 4.658 0.018 17 0 "[ . 1 . 2]" 1
1000 1 45 ALA MB 1 46 SER HA . . 4.370 3.676 3.651 3.728 . 0 0 "[ . 1 . 2]" 1
1001 1 46 SER HA 1 47 GLY HA2 . . 4.900 4.533 4.510 4.547 . 0 0 "[ . 1 . 2]" 1
1002 1 31 HIS HA 1 46 SER HA . . 3.660 2.246 2.216 2.291 . 0 0 "[ . 1 . 2]" 1
1003 1 31 HIS HB2 1 46 SER HB2 . . 5.200 4.536 4.459 4.602 . 0 0 "[ . 1 . 2]" 1
1004 1 45 ALA MB 1 46 SER HB3 . . 4.590 4.548 4.524 4.568 . 0 0 "[ . 1 . 2]" 1
1005 1 32 VAL MG2 1 46 SER HB3 . . 5.500 5.450 5.377 5.495 . 0 0 "[ . 1 . 2]" 1
1006 1 28 VAL MG2 1 48 LYS HA . . 5.490 5.158 5.101 5.226 . 0 0 "[ . 1 . 2]" 1
1007 1 48 LYS H 1 48 LYS HD3 . . 5.260 5.254 5.226 5.269 0.009 20 0 "[ . 1 . 2]" 1
1008 1 29 ALA HA 1 48 LYS HG2 . . 3.980 2.022 1.996 2.082 . 0 0 "[ . 1 . 2]" 1
1009 1 26 ILE HA 1 49 THR HB . . 4.580 4.231 4.127 4.375 . 0 0 "[ . 1 . 2]" 1
1010 1 49 THR HB 1 53 GLY HA3 . . 4.830 3.812 3.713 3.937 . 0 0 "[ . 1 . 2]" 1
1011 1 49 THR MG 1 54 GLU H . . 4.910 4.625 4.525 4.721 . 0 0 "[ . 1 . 2]" 1
1012 1 58 LEU HB3 1 58 LEU MD1 . . 3.450 2.350 2.266 2.456 . 0 0 "[ . 1 . 2]" 1
1013 1 46 SER H 1 58 LEU HB2 . . 5.500 5.418 5.375 5.503 0.003 10 0 "[ . 1 . 2]" 1
1014 1 28 VAL MG1 1 74 ASP H . . 4.150 3.002 2.801 3.467 . 0 0 "[ . 1 . 2]" 1
1015 1 60 THR HB 1 63 GLU HB2 . . 5.500 5.082 4.872 5.262 . 0 0 "[ . 1 . 2]" 1
1016 1 59 THR HB 1 60 THR HB . . 5.500 5.527 5.498 5.551 0.051 4 0 "[ . 1 . 2]" 1
1017 1 62 GLU H 1 62 GLU HB2 . . 3.680 2.670 2.664 2.677 . 0 0 "[ . 1 . 2]" 1
1018 1 17 LEU HB2 1 110 MET HG3 . . 4.510 4.527 4.501 4.538 0.028 2 0 "[ . 1 . 2]" 1
1019 1 36 ALA MB 1 42 GLU HB2 . . 3.480 3.329 3.228 3.422 . 0 0 "[ . 1 . 2]" 1
1020 1 42 GLU HB2 1 43 PRO HD2 . . 3.930 3.642 3.609 3.759 . 0 0 "[ . 1 . 2]" 1
1021 1 63 GLU QG 1 64 PHE QD . . 5.430 5.240 4.983 5.394 . 0 0 "[ . 1 . 2]" 1
1022 1 35 LYS QG 1 68 ILE HB . . 4.930 3.091 2.891 3.304 . 0 0 "[ . 1 . 2]" 1
1023 1 68 ILE MD 1 96 THR HB . . 5.500 5.462 5.242 5.510 0.010 17 0 "[ . 1 . 2]" 1
1024 1 84 ILE HA 1 84 ILE HG13 . . 3.800 2.484 2.472 2.512 . 0 0 "[ . 1 . 2]" 1
1025 1 70 LYS HD3 1 72 GLU HG2 . . 5.470 5.432 5.229 5.518 0.048 9 0 "[ . 1 . 2]" 1
1026 1 43 PRO HB2 1 45 ALA H . . 5.210 5.051 5.007 5.084 . 0 0 "[ . 1 . 2]" 1
1027 1 73 ILE H 1 90 HIS HA . . 5.380 5.119 4.846 5.372 . 0 0 "[ . 1 . 2]" 1
1028 1 106 THR H 1 122 VAL MG2 . . 3.920 3.516 2.880 3.925 0.005 19 0 "[ . 1 . 2]" 1
1029 1 41 TRP HH2 1 94 VAL HA . . 4.890 4.641 4.360 4.788 . 0 0 "[ . 1 . 2]" 1
1030 1 32 VAL MG2 1 69 TYR QD . . 5.500 5.267 5.034 5.455 . 0 0 "[ . 1 . 2]" 1
1031 1 94 VAL MG2 1 95 PHE QE . . 5.500 5.496 5.456 5.515 0.015 4 0 "[ . 1 . 2]" 1
1032 1 68 ILE MG 1 96 THR HB . . 4.340 4.198 3.928 4.351 0.011 17 0 "[ . 1 . 2]" 1
1033 1 15 LYS HB2 1 106 THR MG . . 3.660 2.729 2.585 2.948 . 0 0 "[ . 1 . 2]" 1
1034 1 122 VAL HA 1 123 THR MG . . 4.160 3.775 3.444 4.100 . 0 0 "[ . 1 . 2]" 1
1035 1 15 LYS HB3 1 108 ALA HA . . 4.570 2.141 1.997 2.312 . 0 0 "[ . 1 . 2]" 1
1036 1 15 LYS HB2 1 108 ALA HA . . 4.830 3.573 3.374 3.735 . 0 0 "[ . 1 . 2]" 1
1037 1 95 PHE QB 1 121 VAL MG1 . . 4.790 3.663 3.357 4.011 . 0 0 "[ . 1 . 2]" 1
1038 1 3 THR H 1 3 THR MG . . 3.620 2.851 2.220 3.115 . 0 0 "[ . 1 . 2]" 1
1039 1 2 PRO HB3 1 3 THR H . . 4.380 3.991 3.905 4.251 . 0 0 "[ . 1 . 2]" 1
1040 1 2 PRO HG3 1 3 THR H . . 4.590 3.677 3.561 4.069 . 0 0 "[ . 1 . 2]" 1
1041 1 2 PRO HB2 1 3 THR H . . 4.180 3.077 2.926 3.525 . 0 0 "[ . 1 . 2]" 1
1042 1 5 THR H 1 5 THR MG . . 3.420 2.654 2.034 3.420 . 0 0 "[ . 1 . 2]" 1
1043 1 52 SER H 1 53 GLY H . . 3.250 2.252 2.228 2.288 . 0 0 "[ . 1 . 2]" 1
1044 1 51 GLU H 1 52 SER H . . 3.680 2.671 2.656 2.681 . 0 0 "[ . 1 . 2]" 1
1045 1 52 SER H 1 54 GLU H . . 3.930 3.726 3.587 3.810 . 0 0 "[ . 1 . 2]" 1
1046 1 3 THR MG 1 4 GLY H . . 4.390 3.824 3.485 4.208 . 0 0 "[ . 1 . 2]" 1
1047 1 5 THR MG 1 6 GLY H . . 4.230 3.850 3.287 4.239 0.009 10 0 "[ . 1 . 2]" 1
1048 1 7 GLU H 1 7 GLU QG . . 3.520 2.513 2.083 3.514 . 0 0 "[ . 1 . 2]" 1
1049 1 8 SER H 1 8 SER QB . . 3.100 2.790 2.195 3.138 0.038 9 0 "[ . 1 . 2]" 1
1050 1 7 GLU HA 1 8 SER H . . 2.700 2.379 2.176 2.686 . 0 0 "[ . 1 . 2]" 1
1051 1 11 PRO HB3 1 12 LEU H . . 4.560 4.163 3.970 4.325 . 0 0 "[ . 1 . 2]" 1
1052 1 11 PRO HB2 1 12 LEU H . . 4.560 3.372 3.038 3.652 . 0 0 "[ . 1 . 2]" 1
1053 1 12 LEU H 1 12 LEU QB . . 3.820 2.572 2.365 3.027 . 0 0 "[ . 1 . 2]" 1
1054 1 12 LEU HG 1 13 MET H . . 5.070 3.427 2.014 5.022 . 0 0 "[ . 1 . 2]" 1
1055 1 12 LEU MD2 1 13 MET H . . 4.660 3.437 2.139 4.594 . 0 0 "[ . 1 . 2]" 1
1056 1 12 LEU MD1 1 13 MET H . . 4.660 3.820 2.169 4.663 0.003 17 0 "[ . 1 . 2]" 1
1057 1 16 VAL H 1 17 LEU H . . 4.550 4.157 4.106 4.181 . 0 0 "[ . 1 . 2]" 1
1058 1 16 VAL H 1 54 GLU HA . . 4.260 4.006 3.955 4.085 . 0 0 "[ . 1 . 2]" 1
1059 1 15 LYS HA 1 16 VAL H . . 3.240 2.143 2.140 2.150 . 0 0 "[ . 1 . 2]" 1
1060 1 16 VAL H 1 49 THR HB . . 4.990 4.115 4.054 4.225 . 0 0 "[ . 1 . 2]" 1
1061 1 16 VAL H 1 53 GLY HA2 . . 5.140 3.627 3.518 3.683 . 0 0 "[ . 1 . 2]" 1
1062 1 16 VAL H 1 16 VAL HB . . 3.620 2.584 2.547 2.605 . 0 0 "[ . 1 . 2]" 1
1063 1 15 LYS HB3 1 16 VAL H . . 4.330 4.204 4.076 4.317 . 0 0 "[ . 1 . 2]" 1
1064 1 15 LYS QD 1 16 VAL H . . 4.170 3.867 3.698 4.162 . 0 0 "[ . 1 . 2]" 1
1065 1 15 LYS QG 1 16 VAL H . . 3.650 2.917 2.704 3.098 . 0 0 "[ . 1 . 2]" 1
1066 1 13 MET ME 1 16 VAL H . . 5.200 5.045 4.377 5.207 0.007 16 0 "[ . 1 . 2]" 1
1067 1 16 VAL H 1 53 GLY HA3 . . 4.720 3.435 3.233 3.552 . 0 0 "[ . 1 . 2]" 1
1068 1 17 LEU H 1 18 ASP H . . 4.880 4.514 4.509 4.518 . 0 0 "[ . 1 . 2]" 1
1069 1 17 LEU H 1 110 MET H . . 5.360 4.992 4.856 5.067 . 0 0 "[ . 1 . 2]" 1
1070 1 18 ASP H 1 25 ALA H . . 4.100 4.045 3.888 4.116 0.016 12 0 "[ . 1 . 2]" 1
1071 1 18 ASP H 1 19 ALA H . . 5.010 4.483 4.456 4.498 . 0 0 "[ . 1 . 2]" 1
1072 1 18 ASP H 1 22 GLY H . . 4.370 4.259 4.215 4.318 . 0 0 "[ . 1 . 2]" 1
1073 1 18 ASP H 1 18 ASP HB3 . . 3.530 2.819 2.749 2.961 . 0 0 "[ . 1 . 2]" 1
1074 1 18 ASP H 1 18 ASP HB2 . . 3.420 2.561 2.471 2.613 . 0 0 "[ . 1 . 2]" 1
1075 1 19 ALA H 1 20 VAL H . . 3.420 2.336 2.305 2.395 . 0 0 "[ . 1 . 2]" 1
1076 1 19 ALA H 1 21 ARG H . . 4.140 3.982 3.901 4.149 0.009 16 0 "[ . 1 . 2]" 1
1077 1 19 ALA H 1 79 TRP HZ2 . . 5.310 5.059 5.028 5.086 . 0 0 "[ . 1 . 2]" 1
1078 1 19 ALA H 1 110 MET HA . . 4.460 4.298 4.224 4.393 . 0 0 "[ . 1 . 2]" 1
1079 1 19 ALA H 1 112 SER HA . . 4.890 3.970 3.810 4.066 . 0 0 "[ . 1 . 2]" 1
1080 1 18 ASP HA 1 19 ALA H . . 3.180 2.168 2.154 2.181 . 0 0 "[ . 1 . 2]" 1
1081 1 19 ALA H 1 20 VAL HA . . 5.160 4.995 4.966 5.051 . 0 0 "[ . 1 . 2]" 1
1082 1 18 ASP HB2 1 19 ALA H . . 4.610 4.342 4.309 4.395 . 0 0 "[ . 1 . 2]" 1
1083 1 19 ALA H 1 20 VAL HB . . 4.660 4.527 4.489 4.589 . 0 0 "[ . 1 . 2]" 1
1084 1 18 ASP HB3 1 19 ALA H . . 4.330 3.880 3.723 3.996 . 0 0 "[ . 1 . 2]" 1
1085 1 19 ALA H 1 20 VAL MG2 . . 4.140 3.873 3.771 3.997 . 0 0 "[ . 1 . 2]" 1
1086 1 19 ALA H 1 111 LEU MD1 . . 4.830 4.842 4.817 4.852 0.022 1 0 "[ . 1 . 2]" 1
1087 1 20 VAL H 1 21 ARG H . . 3.060 2.345 2.298 2.440 . 0 0 "[ . 1 . 2]" 1
1088 1 20 VAL H 1 23 SER H . . 5.500 5.466 5.415 5.511 0.011 5 0 "[ . 1 . 2]" 1
1089 1 20 VAL H 1 79 TRP HH2 . . 4.580 3.688 3.606 3.782 . 0 0 "[ . 1 . 2]" 1
1090 1 20 VAL H 1 112 SER HA . . 4.700 3.974 3.812 4.072 . 0 0 "[ . 1 . 2]" 1
1091 1 18 ASP HA 1 20 VAL H . . 4.140 3.723 3.667 3.763 . 0 0 "[ . 1 . 2]" 1
1092 1 20 VAL H 1 21 ARG HA . . 5.100 5.039 5.007 5.103 0.003 18 0 "[ . 1 . 2]" 1
1093 1 20 VAL H 1 20 VAL HB . . 3.150 2.434 2.425 2.445 . 0 0 "[ . 1 . 2]" 1
1094 1 20 VAL H 1 110 MET ME . . 4.770 4.723 4.583 4.788 0.018 19 0 "[ . 1 . 2]" 1
1095 1 20 VAL H 1 21 ARG HG3 . . 4.080 3.861 3.779 3.966 . 0 0 "[ . 1 . 2]" 1
1096 1 19 ALA MB 1 20 VAL H . . 3.550 2.974 2.877 3.037 . 0 0 "[ . 1 . 2]" 1
1097 1 20 VAL H 1 20 VAL MG2 . . 3.050 2.461 2.406 2.553 . 0 0 "[ . 1 . 2]" 1
1098 1 21 ARG H 1 23 SER H . . 4.280 3.834 3.746 3.960 . 0 0 "[ . 1 . 2]" 1
1099 1 18 ASP HB2 1 21 ARG H . . 4.440 3.997 3.946 4.038 . 0 0 "[ . 1 . 2]" 1
1100 1 20 VAL HB 1 21 ARG H . . 3.340 2.769 2.520 2.888 . 0 0 "[ . 1 . 2]" 1
1101 1 18 ASP HB3 1 21 ARG H . . 4.460 2.466 2.258 2.608 . 0 0 "[ . 1 . 2]" 1
1102 1 21 ARG H 1 21 ARG HG3 . . 3.520 2.243 2.095 2.372 . 0 0 "[ . 1 . 2]" 1
1103 1 21 ARG H 1 21 ARG HG2 . . 3.610 3.352 3.033 3.539 . 0 0 "[ . 1 . 2]" 1
1104 1 21 ARG H 1 21 ARG HB2 . . 3.440 2.699 2.681 2.727 . 0 0 "[ . 1 . 2]" 1
1105 1 19 ALA MB 1 21 ARG H . . 4.850 4.690 4.608 4.828 . 0 0 "[ . 1 . 2]" 1
1106 1 20 VAL MG1 1 21 ARG H . . 3.500 3.448 3.223 3.530 0.030 20 0 "[ . 1 . 2]" 1
1107 1 20 VAL H 1 22 GLY H . . 3.620 3.488 3.428 3.529 . 0 0 "[ . 1 . 2]" 1
1108 1 19 ALA H 1 22 GLY H . . 4.840 4.303 4.262 4.355 . 0 0 "[ . 1 . 2]" 1
1109 1 21 ARG QD 1 22 GLY H . . 5.140 5.004 4.875 5.156 0.016 16 0 "[ . 1 . 2]" 1
1110 1 18 ASP HB2 1 22 GLY H . . 4.400 4.389 4.318 4.410 0.010 5 0 "[ . 1 . 2]" 1
1111 1 20 VAL HB 1 22 GLY H . . 5.140 4.779 4.626 4.841 . 0 0 "[ . 1 . 2]" 1
1112 1 18 ASP HB3 1 22 GLY H . . 4.490 2.678 2.589 2.761 . 0 0 "[ . 1 . 2]" 1
1113 1 21 ARG HB3 1 22 GLY H . . 4.510 4.152 4.117 4.197 . 0 0 "[ . 1 . 2]" 1
1114 1 21 ARG HG3 1 22 GLY H . . 4.220 4.054 4.014 4.126 . 0 0 "[ . 1 . 2]" 1
1115 1 21 ARG HG2 1 22 GLY H . . 5.000 4.924 4.832 4.999 . 0 0 "[ . 1 . 2]" 1
1116 1 21 ARG HB2 1 22 GLY H . . 3.770 3.056 2.998 3.124 . 0 0 "[ . 1 . 2]" 1
1117 1 19 ALA MB 1 22 GLY H . . 5.010 4.673 4.614 4.731 . 0 0 "[ . 1 . 2]" 1
1118 1 20 VAL MG1 1 22 GLY H . . 5.020 4.946 4.769 5.002 . 0 0 "[ . 1 . 2]" 1
1119 1 22 GLY H 1 23 SER HA . . 5.360 5.199 5.162 5.232 . 0 0 "[ . 1 . 2]" 1
1120 1 19 ALA HA 1 22 GLY H . . 3.720 3.546 3.431 3.696 . 0 0 "[ . 1 . 2]" 1
1121 1 18 ASP H 1 23 SER H . . 3.660 3.083 3.042 3.142 . 0 0 "[ . 1 . 2]" 1
1122 1 22 GLY H 1 23 SER H . . 3.100 2.555 2.510 2.595 . 0 0 "[ . 1 . 2]" 1
1123 1 21 ARG HA 1 23 SER H . . 4.780 4.536 4.482 4.582 . 0 0 "[ . 1 . 2]" 1
1124 1 22 GLY HA2 1 23 SER H . . 3.460 3.034 3.000 3.067 . 0 0 "[ . 1 . 2]" 1
1125 1 23 SER H 1 23 SER HB3 . . 4.060 3.614 2.642 3.695 . 0 0 "[ . 1 . 2]" 1
1126 1 21 ARG QD 1 23 SER H . . 4.760 4.480 4.292 4.667 . 0 0 "[ . 1 . 2]" 1
1127 1 18 ASP HB2 1 23 SER H . . 3.890 3.645 3.592 3.688 . 0 0 "[ . 1 . 2]" 1
1128 1 18 ASP HB3 1 23 SER H . . 4.360 2.524 2.381 2.824 . 0 0 "[ . 1 . 2]" 1
1129 1 21 ARG HB3 1 23 SER H . . 3.910 3.836 3.753 3.895 . 0 0 "[ . 1 . 2]" 1
1130 1 26 ILE H 1 78 TYR QR . . 5.500 2.407 2.142 2.679 . 0 0 "[ . 1 . 2]" 1
1131 1 17 LEU HA 1 25 ALA H . . 3.700 2.739 2.642 2.794 . 0 0 "[ . 1 . 2]" 1
1132 1 25 ALA HA 1 26 ILE H . . 3.240 2.255 2.243 2.271 . 0 0 "[ . 1 . 2]" 1
1133 1 25 ALA H 1 53 GLY HA2 . . 4.490 3.871 3.749 4.054 . 0 0 "[ . 1 . 2]" 1
1134 1 26 ILE H 1 78 TYR HB2 . . 5.060 4.729 4.433 5.063 0.003 19 0 "[ . 1 . 2]" 1
1135 1 26 ILE H 1 26 ILE HB . . 3.530 2.473 2.471 2.476 . 0 0 "[ . 1 . 2]" 1
1136 1 26 ILE H 1 26 ILE HG12 . . 4.170 4.007 3.999 4.012 . 0 0 "[ . 1 . 2]" 1
1137 1 26 ILE H 1 26 ILE HG13 . . 4.170 2.951 2.945 2.958 . 0 0 "[ . 1 . 2]" 1
1138 1 25 ALA H 1 25 ALA MB . . 3.440 2.238 2.210 2.255 . 0 0 "[ . 1 . 2]" 1
1139 1 27 ASN H 1 49 THR H . . 4.400 3.729 3.521 3.790 . 0 0 "[ . 1 . 2]" 1
1140 1 84 ILE H 1 85 SER H . . 4.720 4.565 4.554 4.570 . 0 0 "[ . 1 . 2]" 1
1141 1 83 GLY H 1 84 ILE H . . 2.990 2.387 2.378 2.399 . 0 0 "[ . 1 . 2]" 1
1142 1 27 ASN H 1 27 ASN HD22 . . 4.420 3.645 3.638 3.650 . 0 0 "[ . 1 . 2]" 1
1143 1 79 TRP HE3 1 84 ILE H . . 4.250 3.800 3.772 3.819 . 0 0 "[ . 1 . 2]" 1
1144 1 26 ILE HA 1 27 ASN H . . 3.310 2.224 2.221 2.226 . 0 0 "[ . 1 . 2]" 1
1145 1 79 TRP HB3 1 84 ILE H . . 4.630 3.158 3.098 3.227 . 0 0 "[ . 1 . 2]" 1
1146 1 79 TRP HB2 1 84 ILE H . . 4.630 4.523 4.459 4.589 . 0 0 "[ . 1 . 2]" 1
1147 1 84 ILE H 1 84 ILE HB . . 3.090 2.205 2.196 2.226 . 0 0 "[ . 1 . 2]" 1
1148 1 26 ILE HB 1 27 ASN H . . 4.130 4.055 4.049 4.062 . 0 0 "[ . 1 . 2]" 1
1149 1 27 ASN H 1 48 LYS QB . . 4.110 3.662 3.627 3.703 . 0 0 "[ . 1 . 2]" 1
1150 1 84 ILE H 1 84 ILE HG13 . . 4.510 4.392 4.384 4.403 . 0 0 "[ . 1 . 2]" 1
1151 1 84 ILE H 1 84 ILE MG . . 3.620 3.425 3.396 3.467 . 0 0 "[ . 1 . 2]" 1
1152 1 27 ASN H 1 50 SER HA . . 4.220 3.104 2.995 3.272 . 0 0 "[ . 1 . 2]" 1
1153 1 27 ASN HB2 1 27 ASN HD22 . . 3.780 3.749 3.748 3.750 . 0 0 "[ . 1 . 2]" 1
1154 1 27 ASN HD22 1 48 LYS QB . . 4.810 4.693 4.659 4.730 . 0 0 "[ . 1 . 2]" 1
1155 1 26 ILE MD 1 27 ASN HD22 . . 4.990 5.010 5.005 5.013 0.023 13 0 "[ . 1 . 2]" 1
1156 1 26 ILE MG 1 27 ASN HD22 . . 3.650 2.638 2.636 2.640 . 0 0 "[ . 1 . 2]" 1
1157 1 27 ASN HA 1 27 ASN HD22 . . 4.290 3.525 3.522 3.529 . 0 0 "[ . 1 . 2]" 1
1158 1 27 ASN HB2 1 27 ASN HD21 . . 3.360 2.858 2.854 2.860 . 0 0 "[ . 1 . 2]" 1
1159 1 27 ASN H 1 28 VAL H . . 3.610 2.801 2.793 2.814 . 0 0 "[ . 1 . 2]" 1
1160 1 28 VAL H 1 48 LYS HA . . 4.210 3.653 3.618 3.702 . 0 0 "[ . 1 . 2]" 1
1161 1 28 VAL H 1 49 THR HB . . 4.320 4.274 4.201 4.435 0.115 13 0 "[ . 1 . 2]" 1
1162 1 26 ILE HA 1 28 VAL H . . 3.820 3.871 3.855 3.891 0.071 19 0 "[ . 1 . 2]" 1
1163 1 27 ASN HB3 1 28 VAL H . . 4.390 4.370 4.367 4.373 . 0 0 "[ . 1 . 2]" 1
1164 1 28 VAL H 1 28 VAL HB . . 3.340 2.481 2.444 2.541 . 0 0 "[ . 1 . 2]" 1
1165 1 28 VAL H 1 48 LYS QB . . 3.740 2.818 2.776 2.892 . 0 0 "[ . 1 . 2]" 1
1166 1 28 VAL H 1 49 THR MG . . 3.510 3.299 3.200 3.383 . 0 0 "[ . 1 . 2]" 1
1167 1 28 VAL H 1 28 VAL MG1 . . 3.930 3.780 3.764 3.802 . 0 0 "[ . 1 . 2]" 1
1168 1 28 VAL H 1 28 VAL MG2 . . 3.360 2.503 2.315 2.634 . 0 0 "[ . 1 . 2]" 1
1169 1 29 ALA H 1 30 VAL H . . 4.860 4.388 4.385 4.390 . 0 0 "[ . 1 . 2]" 1
1170 1 29 ALA H 1 74 ASP H . . 5.250 4.251 4.106 4.501 . 0 0 "[ . 1 . 2]" 1
1171 1 35 LYS H 1 41 TRP HZ3 . . 3.810 2.808 2.248 3.065 . 0 0 "[ . 1 . 2]" 1
1172 1 35 LYS H 1 69 TYR QD . . 4.720 4.514 4.373 4.718 . 0 0 "[ . 1 . 2]" 1
1173 1 35 LYS H 1 41 TRP HE3 . . 4.140 3.262 2.971 3.427 . 0 0 "[ . 1 . 2]" 1
1174 1 29 ALA H 1 48 LYS HA . . 4.540 4.549 4.532 4.561 0.021 12 0 "[ . 1 . 2]" 1
1175 1 35 LYS H 1 69 TYR HA . . 3.970 3.132 2.815 3.241 . 0 0 "[ . 1 . 2]" 1
1176 1 34 ARG HA 1 35 LYS H . . 3.350 2.244 2.181 2.258 . 0 0 "[ . 1 . 2]" 1
1177 1 28 VAL HA 1 29 ALA H . . 3.260 2.196 2.192 2.200 . 0 0 "[ . 1 . 2]" 1
1178 1 27 ASN HB3 1 29 ALA H . . 5.500 4.880 4.830 4.940 . 0 0 "[ . 1 . 2]" 1
1179 1 29 ALA H 1 48 LYS QE . . 4.760 4.242 4.128 4.401 . 0 0 "[ . 1 . 2]" 1
1180 1 35 LYS H 1 35 LYS QE . . 5.100 4.562 4.428 4.764 . 0 0 "[ . 1 . 2]" 1
1181 1 35 LYS H 1 35 LYS HB2 . . 3.430 2.783 2.675 2.840 . 0 0 "[ . 1 . 2]" 1
1182 1 35 LYS H 1 68 ILE HB . . 3.930 3.512 3.396 3.596 . 0 0 "[ . 1 . 2]" 1
1183 1 34 ARG QG 1 35 LYS H . . 3.610 2.867 2.221 3.590 . 0 0 "[ . 1 . 2]" 1
1184 1 35 LYS H 1 35 LYS QD . . 4.500 4.428 4.383 4.457 . 0 0 "[ . 1 . 2]" 1
1185 1 35 LYS H 1 35 LYS HB3 . . 3.410 2.321 2.315 2.375 . 0 0 "[ . 1 . 2]" 1
1186 1 28 VAL MG1 1 29 ALA H . . 3.310 3.189 3.115 3.261 . 0 0 "[ . 1 . 2]" 1
1187 1 35 LYS H 1 35 LYS QG . . 4.280 3.936 3.929 3.971 . 0 0 "[ . 1 . 2]" 1
1188 1 31 HIS H 1 72 GLU H . . 3.820 2.717 2.611 2.840 . 0 0 "[ . 1 . 2]" 1
1189 1 31 HIS H 1 33 PHE QE . . 5.010 4.873 4.826 4.906 . 0 0 "[ . 1 . 2]" 1
1190 1 31 HIS H 1 72 GLU HA . . 4.840 4.674 4.584 4.762 . 0 0 "[ . 1 . 2]" 1
1191 1 31 HIS H 1 71 VAL HA . . 4.520 4.399 4.360 4.478 . 0 0 "[ . 1 . 2]" 1
1192 1 30 VAL HA 1 31 HIS H . . 2.980 2.227 2.212 2.255 . 0 0 "[ . 1 . 2]" 1
1193 1 31 HIS H 1 46 SER HA . . 4.960 4.719 4.682 4.789 . 0 0 "[ . 1 . 2]" 1
1194 1 31 HIS H 1 31 HIS HB2 . . 3.720 2.906 2.883 2.929 . 0 0 "[ . 1 . 2]" 1
1195 1 31 HIS H 1 31 HIS HB3 . . 4.090 3.868 3.860 3.877 . 0 0 "[ . 1 . 2]" 1
1196 1 31 HIS H 1 72 GLU HB3 . . 4.880 4.434 3.687 4.748 . 0 0 "[ . 1 . 2]" 1
1197 1 31 HIS H 1 72 GLU HB2 . . 4.490 3.476 3.310 3.929 . 0 0 "[ . 1 . 2]" 1
1198 1 30 VAL HB 1 31 HIS H . . 3.980 3.903 3.834 3.930 . 0 0 "[ . 1 . 2]" 1
1199 1 31 HIS H 1 71 VAL MG2 . . 5.080 5.110 5.100 5.119 0.039 14 0 "[ . 1 . 2]" 1
1200 1 31 HIS H 1 32 VAL MG2 . . 4.110 3.980 3.949 4.060 . 0 0 "[ . 1 . 2]" 1
1201 1 30 VAL MG1 1 31 HIS H . . 2.990 2.209 2.027 2.326 . 0 0 "[ . 1 . 2]" 1
1202 1 30 VAL H 1 48 LYS HA . . 3.620 2.977 2.955 3.021 . 0 0 "[ . 1 . 2]" 1
1203 1 29 ALA HA 1 30 VAL H . . 2.820 2.156 2.155 2.157 . 0 0 "[ . 1 . 2]" 1
1204 1 30 VAL H 1 30 VAL HB . . 2.830 2.694 2.673 2.706 . 0 0 "[ . 1 . 2]" 1
1205 1 31 HIS H 1 32 VAL H . . 4.560 4.431 4.412 4.442 . 0 0 "[ . 1 . 2]" 1
1206 1 32 VAL H 1 44 PHE H . . 4.630 4.279 4.241 4.378 . 0 0 "[ . 1 . 2]" 1
1207 1 32 VAL H 1 47 GLY H . . 5.370 5.226 5.140 5.266 . 0 0 "[ . 1 . 2]" 1
1208 1 32 VAL H 1 33 PHE QE . . 4.180 4.058 3.965 4.169 . 0 0 "[ . 1 . 2]" 1
1209 1 32 VAL H 1 33 PHE QD . . 4.690 3.985 3.924 4.076 . 0 0 "[ . 1 . 2]" 1
1210 1 32 VAL H 1 72 GLU H . . 5.060 4.910 4.795 4.987 . 0 0 "[ . 1 . 2]" 1
1211 1 32 VAL H 1 46 SER HA . . 3.760 3.177 3.101 3.211 . 0 0 "[ . 1 . 2]" 1
1212 1 31 HIS HA 1 32 VAL H . . 3.040 2.272 2.252 2.289 . 0 0 "[ . 1 . 2]" 1
1213 1 32 VAL H 1 45 ALA HA . . 5.020 4.812 4.778 4.856 . 0 0 "[ . 1 . 2]" 1
1214 1 32 VAL H 1 46 SER HB2 . . 4.070 3.301 3.196 3.426 . 0 0 "[ . 1 . 2]" 1
1215 1 32 VAL H 1 46 SER HB3 . . 4.790 4.531 4.422 4.628 . 0 0 "[ . 1 . 2]" 1
1216 1 31 HIS HB2 1 32 VAL H . . 4.000 3.644 3.616 3.698 . 0 0 "[ . 1 . 2]" 1
1217 1 31 HIS HB3 1 32 VAL H . . 3.820 2.854 2.799 2.910 . 0 0 "[ . 1 . 2]" 1
1218 1 32 VAL H 1 44 PHE HB3 . . 4.650 4.568 4.458 4.657 0.007 9 0 "[ . 1 . 2]" 1
1219 1 32 VAL H 1 32 VAL HB . . 3.510 2.838 2.815 2.852 . 0 0 "[ . 1 . 2]" 1
1220 1 32 VAL H 1 32 VAL MG1 . . 3.960 3.936 3.925 3.941 . 0 0 "[ . 1 . 2]" 1
1221 1 32 VAL H 1 71 VAL MG2 . . 5.160 5.044 4.948 5.079 . 0 0 "[ . 1 . 2]" 1
1222 1 32 VAL H 1 32 VAL MG2 . . 3.260 2.772 2.707 2.798 . 0 0 "[ . 1 . 2]" 1
1223 1 30 VAL MG1 1 32 VAL H . . 5.180 4.562 4.458 4.623 . 0 0 "[ . 1 . 2]" 1
1224 1 33 PHE H 1 34 ARG H . . 4.560 4.487 4.473 4.499 . 0 0 "[ . 1 . 2]" 1
1225 1 33 PHE H 1 44 PHE H . . 4.760 4.615 4.547 4.664 . 0 0 "[ . 1 . 2]" 1
1226 1 33 PHE H 1 70 LYS H . . 3.790 2.841 2.690 2.951 . 0 0 "[ . 1 . 2]" 1
1227 1 33 PHE H 1 45 ALA H . . 5.080 4.936 4.888 4.979 . 0 0 "[ . 1 . 2]" 1
1228 1 33 PHE H 1 33 PHE QE . . 5.360 4.733 4.694 4.791 . 0 0 "[ . 1 . 2]" 1
1229 1 33 PHE H 1 44 PHE QR . . 5.500 5.186 4.924 5.308 . 0 0 "[ . 1 . 2]" 1
1230 1 33 PHE H 1 41 TRP HE3 . . 5.110 5.111 5.057 5.125 0.015 1 0 "[ . 1 . 2]" 1
1231 1 33 PHE H 1 33 PHE QD . . 3.690 2.529 2.481 2.624 . 0 0 "[ . 1 . 2]" 1
1232 1 33 PHE H 1 69 TYR QD . . 4.620 4.263 3.978 4.499 . 0 0 "[ . 1 . 2]" 1
1233 1 32 VAL HA 1 33 PHE H . . 3.220 2.146 2.141 2.152 . 0 0 "[ . 1 . 2]" 1
1234 1 33 PHE H 1 69 TYR HA . . 5.040 4.657 4.559 4.897 . 0 0 "[ . 1 . 2]" 1
1235 1 33 PHE H 1 70 LYS HA . . 5.450 4.628 4.591 4.668 . 0 0 "[ . 1 . 2]" 1
1236 1 33 PHE H 1 71 VAL HA . . 4.240 3.486 3.298 3.551 . 0 0 "[ . 1 . 2]" 1
1237 1 33 PHE H 1 33 PHE HB2 . . 4.010 2.605 2.574 2.640 . 0 0 "[ . 1 . 2]" 1
1238 1 32 VAL HB 1 33 PHE H . . 4.540 4.106 4.051 4.162 . 0 0 "[ . 1 . 2]" 1
1239 1 33 PHE H 1 69 TYR HB3 . . 4.890 4.012 3.862 4.348 . 0 0 "[ . 1 . 2]" 1
1240 1 32 VAL MG1 1 33 PHE H . . 3.330 2.638 2.502 2.779 . 0 0 "[ . 1 . 2]" 1
1241 1 33 PHE H 1 71 VAL MG2 . . 4.280 3.918 3.817 4.004 . 0 0 "[ . 1 . 2]" 1
1242 1 32 VAL MG2 1 33 PHE H . . 4.470 4.167 4.142 4.181 . 0 0 "[ . 1 . 2]" 1
1243 1 33 PHE H 1 70 LYS HB3 . . 4.140 3.557 3.514 3.594 . 0 0 "[ . 1 . 2]" 1
1244 1 33 PHE H 1 70 LYS HB2 . . 5.040 4.893 4.808 5.018 . 0 0 "[ . 1 . 2]" 1
1245 1 34 ARG H 1 42 GLU H . . 3.550 2.805 2.747 2.845 . 0 0 "[ . 1 . 2]" 1
1246 1 34 ARG H 1 44 PHE H . . 4.110 4.054 3.967 4.126 0.016 9 0 "[ . 1 . 2]" 1
1247 1 34 ARG H 1 35 LYS H . . 4.490 4.462 4.389 4.480 . 0 0 "[ . 1 . 2]" 1
1248 1 34 ARG H 1 41 TRP HE3 . . 3.920 3.754 3.544 3.887 . 0 0 "[ . 1 . 2]" 1
1249 1 33 PHE QD 1 34 ARG H . . 4.080 3.830 3.773 3.869 . 0 0 "[ . 1 . 2]" 1
1250 1 34 ARG H 1 69 TYR QD . . 4.750 4.292 4.118 4.592 . 0 0 "[ . 1 . 2]" 1
1251 1 33 PHE HA 1 34 ARG H . . 3.190 2.379 2.359 2.410 . 0 0 "[ . 1 . 2]" 1
1252 1 34 ARG H 1 69 TYR HA . . 4.780 4.685 4.602 4.788 0.008 7 0 "[ . 1 . 2]" 1
1253 1 34 ARG H 1 42 GLU HA . . 4.640 4.480 4.401 4.522 . 0 0 "[ . 1 . 2]" 1
1254 1 34 ARG H 1 41 TRP HA . . 4.180 3.940 3.866 4.005 . 0 0 "[ . 1 . 2]" 1
1255 1 34 ARG H 1 43 PRO HA . . 4.540 4.379 4.343 4.419 . 0 0 "[ . 1 . 2]" 1
1256 1 33 PHE HB3 1 34 ARG H . . 3.660 2.490 2.416 2.537 . 0 0 "[ . 1 . 2]" 1
1257 1 33 PHE HB2 1 34 ARG H . . 3.820 3.688 3.620 3.726 . 0 0 "[ . 1 . 2]" 1
1258 1 34 ARG H 1 42 GLU QG . . 5.100 5.099 4.998 5.124 0.024 17 0 "[ . 1 . 2]" 1
1259 1 34 ARG H 1 42 GLU HB3 . . 4.340 4.325 4.137 4.350 0.010 10 0 "[ . 1 . 2]" 1
1260 1 34 ARG H 1 42 GLU HB2 . . 3.960 3.598 3.446 3.628 . 0 0 "[ . 1 . 2]" 1
1261 1 34 ARG H 1 34 ARG HB2 . . 3.850 3.410 2.980 3.822 . 0 0 "[ . 1 . 2]" 1
1262 1 34 ARG H 1 34 ARG QG . . 4.090 3.262 2.289 4.089 . 0 0 "[ . 1 . 2]" 1
1263 1 34 ARG H 1 34 ARG HB3 . . 3.850 2.737 2.542 2.927 . 0 0 "[ . 1 . 2]" 1
1264 1 35 LYS HA 1 36 ALA H . . 2.880 2.144 2.140 2.153 . 0 0 "[ . 1 . 2]" 1
1265 1 36 ALA H 1 42 GLU H . . 3.830 3.604 3.511 3.665 . 0 0 "[ . 1 . 2]" 1
1266 1 36 ALA H 1 37 ALA H . . 4.560 4.502 4.492 4.517 . 0 0 "[ . 1 . 2]" 1
1267 1 36 ALA H 1 41 TRP HE3 . . 4.860 4.679 4.394 4.852 . 0 0 "[ . 1 . 2]" 1
1268 1 36 ALA H 1 41 TRP HA . . 3.520 3.105 3.032 3.180 . 0 0 "[ . 1 . 2]" 1
1269 1 35 LYS QG 1 36 ALA H . . 3.780 3.512 3.418 3.682 . 0 0 "[ . 1 . 2]" 1
1270 1 35 LYS QD 1 36 ALA H . . 3.290 2.338 2.251 2.458 . 0 0 "[ . 1 . 2]" 1
1271 1 35 LYS HB3 1 36 ALA H . . 4.480 4.423 4.395 4.468 . 0 0 "[ . 1 . 2]" 1
1272 1 35 LYS QE 1 36 ALA H . . 4.660 4.165 3.947 4.550 . 0 0 "[ . 1 . 2]" 1
1273 1 36 ALA H 1 42 GLU HB2 . . 4.920 4.616 4.372 4.784 . 0 0 "[ . 1 . 2]" 1
1274 1 38 ASP H 1 39 ASP H . . 2.900 2.678 2.607 2.730 . 0 0 "[ . 1 . 2]" 1
1275 1 36 ALA H 1 38 ASP H . . 4.400 4.403 4.365 4.411 0.011 8 0 "[ . 1 . 2]" 1
1276 1 37 ALA H 1 38 ASP H . . 3.330 2.446 2.436 2.453 . 0 0 "[ . 1 . 2]" 1
1277 1 38 ASP H 1 38 ASP HB2 . . 3.260 2.559 2.332 2.647 . 0 0 "[ . 1 . 2]" 1
1278 1 38 ASP H 1 38 ASP HB3 . . 3.260 2.883 2.775 3.210 . 0 0 "[ . 1 . 2]" 1
1279 1 38 ASP H 1 40 THR MG . . 4.110 4.039 3.903 4.115 0.005 8 0 "[ . 1 . 2]" 1
1280 1 35 LYS QD 1 38 ASP H . . 4.590 4.550 4.445 4.602 0.012 18 0 "[ . 1 . 2]" 1
1281 1 36 ALA H 1 39 ASP H . . 4.780 4.708 4.644 4.814 0.034 17 0 "[ . 1 . 2]" 1
1282 1 37 ALA H 1 39 ASP H . . 4.560 4.475 4.450 4.509 . 0 0 "[ . 1 . 2]" 1
1283 1 38 ASP HA 1 39 ASP H . . 3.250 2.962 2.933 3.005 . 0 0 "[ . 1 . 2]" 1
1284 1 37 ALA HA 1 39 ASP H . . 3.640 3.506 3.460 3.550 . 0 0 "[ . 1 . 2]" 1
1285 1 39 ASP H 1 39 ASP HA . . 2.630 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
1286 1 39 ASP H 1 39 ASP QB . . 3.310 3.292 3.275 3.321 0.011 6 0 "[ . 1 . 2]" 1
1287 1 38 ASP HB3 1 39 ASP H . . 4.550 4.058 4.002 4.138 . 0 0 "[ . 1 . 2]" 1
1288 1 35 LYS QE 1 39 ASP H . . 4.790 4.784 4.763 4.805 0.015 9 0 "[ . 1 . 2]" 1
1289 1 36 ALA MB 1 39 ASP H . . 3.860 3.830 3.793 3.869 0.009 10 0 "[ . 1 . 2]" 1
1290 1 39 ASP H 1 40 THR MG . . 4.320 4.258 4.211 4.313 . 0 0 "[ . 1 . 2]" 1
1291 1 35 LYS QD 1 39 ASP H . . 3.490 3.113 3.030 3.161 . 0 0 "[ . 1 . 2]" 1
1292 1 35 LYS QG 1 39 ASP H . . 4.630 4.424 4.367 4.477 . 0 0 "[ . 1 . 2]" 1
1293 1 35 LYS QG 1 40 THR H . . 4.800 4.707 4.532 4.799 . 0 0 "[ . 1 . 2]" 1
1294 1 36 ALA MB 1 40 THR H . . 3.150 2.698 2.637 2.745 . 0 0 "[ . 1 . 2]" 1
1295 1 40 THR H 1 40 THR MG . . 2.910 2.767 2.683 2.869 . 0 0 "[ . 1 . 2]" 1
1296 1 35 LYS QD 1 40 THR H . . 3.810 2.956 2.726 3.113 . 0 0 "[ . 1 . 2]" 1
1297 1 38 ASP HB2 1 40 THR H . . 4.760 4.566 4.138 4.742 . 0 0 "[ . 1 . 2]" 1
1298 1 38 ASP HB3 1 40 THR H . . 4.760 3.458 3.371 3.599 . 0 0 "[ . 1 . 2]" 1
1299 1 35 LYS QE 1 40 THR H . . 4.420 4.209 4.035 4.411 . 0 0 "[ . 1 . 2]" 1
1300 1 38 ASP HA 1 40 THR H . . 4.710 4.459 4.356 4.621 . 0 0 "[ . 1 . 2]" 1
1301 1 39 ASP HA 1 40 THR H . . 3.220 2.945 2.872 2.996 . 0 0 "[ . 1 . 2]" 1
1302 1 35 LYS HA 1 40 THR H . . 4.690 4.571 4.361 4.690 0.000 9 0 "[ . 1 . 2]" 1
1303 1 36 ALA H 1 40 THR H . . 3.880 3.166 3.135 3.191 . 0 0 "[ . 1 . 2]" 1
1304 1 40 THR H 1 41 TRP H . . 4.480 4.444 4.418 4.472 . 0 0 "[ . 1 . 2]" 1
1305 1 39 ASP H 1 40 THR H . . 3.020 2.682 2.669 2.696 . 0 0 "[ . 1 . 2]" 1
1306 1 38 ASP H 1 40 THR H . . 3.610 3.095 2.999 3.190 . 0 0 "[ . 1 . 2]" 1
1307 1 41 TRP H 1 42 GLU H . . 4.380 4.214 4.170 4.286 . 0 0 "[ . 1 . 2]" 1
1308 1 36 ALA H 1 41 TRP H . . 4.830 4.585 4.480 4.723 . 0 0 "[ . 1 . 2]" 1
1309 1 80 LYS H 1 83 GLY H . . 4.510 4.476 4.462 4.503 . 0 0 "[ . 1 . 2]" 1
1310 1 80 LYS H 1 81 ALA H . . 3.390 2.395 2.386 2.410 . 0 0 "[ . 1 . 2]" 1
1311 1 41 TRP H 1 42 GLU HA . . 4.900 4.802 4.733 4.916 0.016 17 0 "[ . 1 . 2]" 1
1312 1 40 THR HA 1 41 TRP H . . 2.650 2.576 2.453 2.655 0.005 9 0 "[ . 1 . 2]" 1
1313 1 41 TRP H 1 41 TRP HB2 . . 3.140 2.640 2.588 2.675 . 0 0 "[ . 1 . 2]" 1
1314 1 41 TRP H 1 41 TRP HB3 . . 3.910 3.770 3.727 3.792 . 0 0 "[ . 1 . 2]" 1
1315 1 41 TRP H 1 42 GLU QG . . 4.920 4.805 4.745 4.918 . 0 0 "[ . 1 . 2]" 1
1316 1 80 LYS H 1 81 ALA MB . . 4.070 3.993 3.947 4.082 0.012 7 0 "[ . 1 . 2]" 1
1317 1 35 LYS QE 1 41 TRP HE1 . . 4.400 3.958 3.829 4.142 . 0 0 "[ . 1 . 2]" 1
1318 1 41 TRP HB2 1 41 TRP HE1 . . 4.890 4.764 4.756 4.767 . 0 0 "[ . 1 . 2]" 1
1319 1 41 TRP HE1 1 70 LYS QG . . 5.220 5.018 4.296 5.228 0.008 8 0 "[ . 1 . 2]" 1
1320 1 41 TRP HE1 1 94 VAL MG2 . . 4.500 4.259 4.116 4.406 . 0 0 "[ . 1 . 2]" 1
1321 1 41 TRP HE1 1 70 LYS HD3 . . 4.330 3.627 3.422 3.876 . 0 0 "[ . 1 . 2]" 1
1322 1 41 TRP HE1 1 70 LYS HD2 . . 5.240 4.761 4.552 5.090 . 0 0 "[ . 1 . 2]" 1
1323 1 35 LYS H 1 42 GLU H . . 4.910 4.907 4.789 4.927 0.017 12 0 "[ . 1 . 2]" 1
1324 1 41 TRP HE3 1 42 GLU H . . 4.000 3.947 3.651 4.004 0.004 17 0 "[ . 1 . 2]" 1
1325 1 33 PHE QD 1 42 GLU H . . 4.140 4.043 4.017 4.065 . 0 0 "[ . 1 . 2]" 1
1326 1 33 PHE HA 1 42 GLU H . . 4.910 4.731 4.689 4.757 . 0 0 "[ . 1 . 2]" 1
1327 1 41 TRP HA 1 42 GLU H . . 3.040 2.144 2.142 2.145 . 0 0 "[ . 1 . 2]" 1
1328 1 42 GLU H 1 43 PRO HD3 . . 5.210 5.078 5.056 5.082 . 0 0 "[ . 1 . 2]" 1
1329 1 42 GLU H 1 43 PRO HD2 . . 4.970 4.775 4.771 4.795 . 0 0 "[ . 1 . 2]" 1
1330 1 35 LYS HA 1 42 GLU H . . 3.970 3.882 3.796 3.940 . 0 0 "[ . 1 . 2]" 1
1331 1 33 PHE HB3 1 42 GLU H . . 4.140 3.363 3.305 3.400 . 0 0 "[ . 1 . 2]" 1
1332 1 41 TRP HB2 1 42 GLU H . . 4.470 4.332 4.310 4.372 . 0 0 "[ . 1 . 2]" 1
1333 1 41 TRP HB3 1 42 GLU H . . 3.720 3.580 3.558 3.590 . 0 0 "[ . 1 . 2]" 1
1334 1 42 GLU H 1 42 GLU QG . . 3.340 3.094 3.041 3.150 . 0 0 "[ . 1 . 2]" 1
1335 1 42 GLU H 1 42 GLU HB2 . . 3.190 2.271 2.230 2.294 . 0 0 "[ . 1 . 2]" 1
1336 1 34 ARG HB2 1 42 GLU H . . 5.340 5.138 5.068 5.244 . 0 0 "[ . 1 . 2]" 1
1337 1 36 ALA MB 1 42 GLU H . . 4.000 3.410 3.176 3.683 . 0 0 "[ . 1 . 2]" 1
1338 1 34 ARG HB3 1 42 GLU H . . 5.340 4.339 3.792 4.988 . 0 0 "[ . 1 . 2]" 1
1339 1 35 LYS QD 1 42 GLU H . . 5.330 5.258 5.138 5.324 . 0 0 "[ . 1 . 2]" 1
1340 1 44 PHE H 1 44 PHE QR . . 4.310 4.201 4.166 4.220 . 0 0 "[ . 1 . 2]" 1
1341 1 33 PHE QD 1 44 PHE H . . 4.270 4.020 3.951 4.070 . 0 0 "[ . 1 . 2]" 1
1342 1 33 PHE HA 1 44 PHE H . . 3.570 2.320 2.260 2.373 . 0 0 "[ . 1 . 2]" 1
1343 1 44 PHE H 1 45 ALA HA . . 4.800 4.609 4.582 4.639 . 0 0 "[ . 1 . 2]" 1
1344 1 43 PRO HA 1 44 PHE H . . 3.260 2.153 2.152 2.155 . 0 0 "[ . 1 . 2]" 1
1345 1 43 PRO HD2 1 44 PHE H . . 5.500 5.520 5.510 5.531 0.031 19 0 "[ . 1 . 2]" 1
1346 1 44 PHE H 1 44 PHE HB2 . . 3.720 2.909 2.853 2.945 . 0 0 "[ . 1 . 2]" 1
1347 1 44 PHE H 1 44 PHE HB3 . . 3.690 2.560 2.526 2.602 . 0 0 "[ . 1 . 2]" 1
1348 1 32 VAL H 1 45 ALA H . . 3.470 3.125 3.057 3.203 . 0 0 "[ . 1 . 2]" 1
1349 1 44 PHE H 1 45 ALA H . . 3.040 2.307 2.264 2.341 . 0 0 "[ . 1 . 2]" 1
1350 1 45 ALA H 1 46 SER H . . 4.460 4.381 4.378 4.384 . 0 0 "[ . 1 . 2]" 1
1351 1 44 PHE QR 1 45 ALA H . . 3.710 3.295 3.032 3.412 . 0 0 "[ . 1 . 2]" 1
1352 1 33 PHE QD 1 45 ALA H . . 5.350 5.230 5.156 5.311 . 0 0 "[ . 1 . 2]" 1
1353 1 33 PHE HA 1 45 ALA H . . 3.960 3.891 3.855 3.943 . 0 0 "[ . 1 . 2]" 1
1354 1 45 ALA H 1 46 SER HA . . 5.000 4.868 4.841 4.885 . 0 0 "[ . 1 . 2]" 1
1355 1 45 ALA H 1 46 SER HB3 . . 5.260 5.142 5.054 5.198 . 0 0 "[ . 1 . 2]" 1
1356 1 44 PHE HB2 1 45 ALA H . . 3.820 3.699 3.656 3.721 . 0 0 "[ . 1 . 2]" 1
1357 1 44 PHE HB3 1 45 ALA H . . 3.480 2.279 2.248 2.312 . 0 0 "[ . 1 . 2]" 1
1358 1 32 VAL HB 1 45 ALA H . . 3.280 2.493 2.439 2.565 . 0 0 "[ . 1 . 2]" 1
1359 1 45 ALA H 1 58 LEU HB3 . . 5.500 5.447 5.377 5.504 0.004 6 0 "[ . 1 . 2]" 1
1360 1 45 ALA H 1 45 ALA MB . . 3.030 2.754 2.729 2.782 . 0 0 "[ . 1 . 2]" 1
1361 1 32 VAL MG2 1 45 ALA H . . 4.000 3.881 3.812 3.938 . 0 0 "[ . 1 . 2]" 1
1362 1 45 ALA H 1 58 LEU MD2 . . 5.500 4.637 4.531 4.721 . 0 0 "[ . 1 . 2]" 1
1363 1 45 ALA HA 1 46 SER H . . 2.710 2.542 2.538 2.546 . 0 0 "[ . 1 . 2]" 1
1364 1 77 SER H 1 77 SER QB . . 2.990 2.402 2.089 2.561 . 0 0 "[ . 1 . 2]" 1
1365 1 46 SER H 1 46 SER HB3 . . 3.420 2.991 2.957 3.007 . 0 0 "[ . 1 . 2]" 1
1366 1 76 LYS QE 1 77 SER H . . 5.010 4.287 3.755 4.726 . 0 0 "[ . 1 . 2]" 1
1367 1 76 LYS QB 1 77 SER H . . 3.710 3.462 3.342 3.582 . 0 0 "[ . 1 . 2]" 1
1368 1 77 SER H 1 80 LYS HB3 . . 5.420 5.370 5.262 5.447 0.027 14 0 "[ . 1 . 2]" 1
1369 1 46 SER H 1 58 LEU HB3 . . 4.230 3.995 3.931 4.093 . 0 0 "[ . 1 . 2]" 1
1370 1 45 ALA MB 1 46 SER H . . 2.690 2.342 2.314 2.352 . 0 0 "[ . 1 . 2]" 1
1371 1 32 VAL MG2 1 46 SER H . . 4.190 4.206 4.201 4.212 0.022 19 0 "[ . 1 . 2]" 1
1372 1 46 SER H 1 58 LEU MD1 . . 4.190 3.997 3.585 4.209 0.019 12 0 "[ . 1 . 2]" 1
1373 1 32 VAL H 1 46 SER H . . 4.980 4.677 4.638 4.708 . 0 0 "[ . 1 . 2]" 1
1374 1 76 LYS H 1 77 SER H . . 3.600 2.767 2.704 2.824 . 0 0 "[ . 1 . 2]" 1
1375 1 77 SER H 1 78 TYR H . . 3.640 2.549 2.370 2.717 . 0 0 "[ . 1 . 2]" 1
1376 1 31 HIS H 1 47 GLY H . . 5.040 4.901 4.877 4.921 . 0 0 "[ . 1 . 2]" 1
1377 1 47 GLY H 1 48 LYS H . . 4.500 4.382 4.378 4.384 . 0 0 "[ . 1 . 2]" 1
1378 1 47 GLY H 1 48 LYS HA . . 4.780 4.639 4.638 4.641 . 0 0 "[ . 1 . 2]" 1
1379 1 46 SER HA 1 47 GLY H . . 3.130 2.293 2.260 2.313 . 0 0 "[ . 1 . 2]" 1
1380 1 31 HIS HA 1 47 GLY H . . 3.940 3.493 3.458 3.530 . 0 0 "[ . 1 . 2]" 1
1381 1 29 ALA HA 1 47 GLY H . . 5.320 4.841 4.768 4.895 . 0 0 "[ . 1 . 2]" 1
1382 1 30 VAL HA 1 47 GLY H . . 5.500 4.807 4.770 4.873 . 0 0 "[ . 1 . 2]" 1
1383 1 46 SER HB3 1 47 GLY H . . 4.190 4.089 4.034 4.158 . 0 0 "[ . 1 . 2]" 1
1384 1 31 HIS HB3 1 47 GLY H . . 5.500 5.516 5.505 5.526 0.026 12 0 "[ . 1 . 2]" 1
1385 1 30 VAL HB 1 47 GLY H . . 3.630 3.330 3.256 3.431 . 0 0 "[ . 1 . 2]" 1
1386 1 47 GLY H 1 48 LYS HG2 . . 5.500 5.522 5.506 5.555 0.055 19 0 "[ . 1 . 2]" 1
1387 1 47 GLY H 1 55 LEU HG . . 5.500 5.437 5.271 5.505 0.005 10 0 "[ . 1 . 2]" 1
1388 1 47 GLY H 1 58 LEU HG . . 5.500 5.507 5.504 5.517 0.017 4 0 "[ . 1 . 2]" 1
1389 1 47 GLY H 1 48 LYS HG3 . . 5.160 4.814 4.770 4.922 . 0 0 "[ . 1 . 2]" 1
1390 1 32 VAL MG2 1 47 GLY H . . 4.790 4.606 4.491 4.670 . 0 0 "[ . 1 . 2]" 1
1391 1 29 ALA HA 1 48 LYS H . . 5.180 5.141 5.034 5.182 0.002 17 0 "[ . 1 . 2]" 1
1392 1 47 GLY HA2 1 48 LYS H . . 2.870 2.544 2.504 2.607 . 0 0 "[ . 1 . 2]" 1
1393 1 47 GLY HA3 1 48 LYS H . . 2.890 2.580 2.518 2.621 . 0 0 "[ . 1 . 2]" 1
1394 1 48 LYS H 1 48 LYS QB . . 2.900 2.543 2.512 2.591 . 0 0 "[ . 1 . 2]" 1
1395 1 48 LYS H 1 48 LYS HG3 . . 3.490 2.957 2.864 2.980 . 0 0 "[ . 1 . 2]" 1
1396 1 48 LYS H 1 55 LEU MD2 . . 3.300 3.132 2.863 3.311 0.011 14 0 "[ . 1 . 2]" 1
1397 1 48 LYS H 1 55 LEU MD1 . . 3.300 2.534 2.292 2.803 . 0 0 "[ . 1 . 2]" 1
1398 1 28 VAL H 1 49 THR H . . 3.380 1.876 1.872 1.880 . 0 0 "[ . 1 . 2]" 1
1399 1 48 LYS HA 1 49 THR H . . 3.130 2.365 2.340 2.438 . 0 0 "[ . 1 . 2]" 1
1400 1 29 ALA HA 1 49 THR H . . 4.900 4.858 4.824 4.944 0.044 13 0 "[ . 1 . 2]" 1
1401 1 27 ASN HA 1 49 THR H . . 4.010 3.476 3.267 3.545 . 0 0 "[ . 1 . 2]" 1
1402 1 49 THR H 1 49 THR HB . . 3.890 3.670 3.655 3.709 . 0 0 "[ . 1 . 2]" 1
1403 1 28 VAL HB 1 49 THR H . . 3.920 2.691 2.619 3.004 . 0 0 "[ . 1 . 2]" 1
1404 1 48 LYS QB 1 49 THR H . . 3.280 2.481 2.322 2.538 . 0 0 "[ . 1 . 2]" 1
1405 1 48 LYS HG2 1 49 THR H . . 4.290 4.031 3.985 4.081 . 0 0 "[ . 1 . 2]" 1
1406 1 48 LYS HG3 1 49 THR H . . 4.800 4.828 4.809 4.845 0.045 10 0 "[ . 1 . 2]" 1
1407 1 49 THR H 1 49 THR MG . . 3.140 2.326 2.251 2.519 . 0 0 "[ . 1 . 2]" 1
1408 1 30 VAL MG2 1 49 THR H . . 4.270 3.657 3.576 3.886 . 0 0 "[ . 1 . 2]" 1
1409 1 28 VAL MG2 1 49 THR H . . 4.160 3.661 3.559 3.737 . 0 0 "[ . 1 . 2]" 1
1410 1 50 SER H 1 54 GLU H . . 4.130 3.385 3.222 3.533 . 0 0 "[ . 1 . 2]" 1
1411 1 50 SER H 1 50 SER HB2 . . 4.170 2.980 2.752 3.809 . 0 0 "[ . 1 . 2]" 1
1412 1 49 THR HB 1 50 SER H . . 3.460 2.267 2.212 2.343 . 0 0 "[ . 1 . 2]" 1
1413 1 49 THR HA 1 50 SER H . . 3.320 2.470 2.430 2.507 . 0 0 "[ . 1 . 2]" 1
1414 1 49 THR MG 1 50 SER H . . 3.790 3.695 3.670 3.749 . 0 0 "[ . 1 . 2]" 1
1415 1 50 SER H 1 51 GLU H . . 4.420 4.332 4.319 4.351 . 0 0 "[ . 1 . 2]" 1
1416 1 50 SER HA 1 51 GLU H . . 2.980 2.751 2.737 2.766 . 0 0 "[ . 1 . 2]" 1
1417 1 50 SER HB2 1 51 GLU H . . 3.380 2.539 1.919 2.762 . 0 0 "[ . 1 . 2]" 1
1418 1 50 SER HB3 1 51 GLU H . . 3.380 2.290 1.977 3.486 0.106 20 0 "[ . 1 . 2]" 1
1419 1 26 ILE HA 1 51 GLU H . . 5.240 4.719 4.635 4.830 . 0 0 "[ . 1 . 2]" 1
1420 1 51 GLU H 1 52 SER HB2 . . 5.500 4.854 4.531 5.520 0.020 14 0 "[ . 1 . 2]" 1
1421 1 51 GLU H 1 51 GLU QB . . 2.940 2.657 2.653 2.667 . 0 0 "[ . 1 . 2]" 1
1422 1 26 ILE HG12 1 51 GLU H . . 4.830 3.079 3.035 3.160 . 0 0 "[ . 1 . 2]" 1
1423 1 26 ILE HG13 1 51 GLU H . . 4.830 4.653 4.604 4.742 . 0 0 "[ . 1 . 2]" 1
1424 1 26 ILE MD 1 51 GLU H . . 3.980 3.248 3.195 3.326 . 0 0 "[ . 1 . 2]" 1
1425 1 26 ILE MG 1 51 GLU H . . 4.100 3.874 3.830 3.979 . 0 0 "[ . 1 . 2]" 1
1426 1 52 SER H 1 52 SER HB2 . . 3.440 2.542 2.230 3.171 . 0 0 "[ . 1 . 2]" 1
1427 1 24 PRO HB2 1 52 SER H . . 4.780 4.516 4.461 4.615 . 0 0 "[ . 1 . 2]" 1
1428 1 26 ILE MD 1 52 SER H . . 5.190 4.932 4.868 4.985 . 0 0 "[ . 1 . 2]" 1
1429 1 51 GLU H 1 53 GLY H . . 4.490 4.077 4.044 4.101 . 0 0 "[ . 1 . 2]" 1
1430 1 53 GLY H 1 54 GLU HA . . 5.360 5.172 5.075 5.205 . 0 0 "[ . 1 . 2]" 1
1431 1 52 SER HB3 1 53 GLY H . . 4.070 3.462 3.131 3.956 . 0 0 "[ . 1 . 2]" 1
1432 1 60 THR H 1 64 PHE QB . . 4.520 4.231 4.123 4.350 . 0 0 "[ . 1 . 2]" 1
1433 1 60 THR H 1 63 GLU HB3 . . 3.920 2.408 2.366 2.432 . 0 0 "[ . 1 . 2]" 1
1434 1 24 PRO HB2 1 53 GLY H . . 3.930 3.028 2.906 3.164 . 0 0 "[ . 1 . 2]" 1
1435 1 24 PRO HB3 1 53 GLY H . . 4.190 4.160 4.066 4.205 0.015 12 0 "[ . 1 . 2]" 1
1436 1 59 THR MG 1 60 THR H . . 3.670 3.339 3.292 3.372 . 0 0 "[ . 1 . 2]" 1
1437 1 49 THR MG 1 53 GLY H . . 5.120 4.852 4.816 4.900 . 0 0 "[ . 1 . 2]" 1
1438 1 52 SER HA 1 54 GLU H . . 4.430 4.244 4.214 4.379 . 0 0 "[ . 1 . 2]" 1
1439 1 52 SER HB3 1 54 GLU H . . 3.770 2.693 2.328 3.056 . 0 0 "[ . 1 . 2]" 1
1440 1 52 SER HB2 1 54 GLU H . . 4.390 3.698 2.863 4.265 . 0 0 "[ . 1 . 2]" 1
1441 1 53 GLY H 1 54 GLU H . . 3.310 2.581 2.460 2.599 . 0 0 "[ . 1 . 2]" 1
1442 1 16 VAL H 1 54 GLU H . . 5.290 5.058 4.993 5.098 . 0 0 "[ . 1 . 2]" 1
1443 1 15 LYS QD 1 54 GLU H . . 4.100 3.536 3.245 3.882 . 0 0 "[ . 1 . 2]" 1
1444 1 58 LEU H 1 59 THR H . . 3.960 2.700 2.308 2.861 . 0 0 "[ . 1 . 2]" 1
1445 1 58 LEU H 1 58 LEU HB3 . . 3.790 3.495 3.462 3.532 . 0 0 "[ . 1 . 2]" 1
1446 1 58 LEU H 1 58 LEU HG . . 3.810 2.975 2.721 3.345 . 0 0 "[ . 1 . 2]" 1
1447 1 58 LEU H 1 58 LEU HB2 . . 4.050 2.192 2.140 2.253 . 0 0 "[ . 1 . 2]" 1
1448 1 58 LEU H 1 58 LEU MD1 . . 4.300 3.827 3.640 3.949 . 0 0 "[ . 1 . 2]" 1
1449 1 58 LEU HB2 1 59 THR H . . 4.650 2.510 2.397 2.769 . 0 0 "[ . 1 . 2]" 1
1450 1 59 THR H 1 59 THR MG . . 4.240 3.325 3.226 3.406 . 0 0 "[ . 1 . 2]" 1
1451 1 58 LEU MD1 1 59 THR H . . 5.320 4.343 4.249 4.530 . 0 0 "[ . 1 . 2]" 1
1452 1 58 LEU MD2 1 59 THR H . . 5.320 4.468 4.398 4.603 . 0 0 "[ . 1 . 2]" 1
1453 1 60 THR HB 1 61 GLU H . . 3.920 2.187 2.107 2.299 . 0 0 "[ . 1 . 2]" 1
1454 1 61 GLU H 1 62 GLU HG3 . . 4.330 4.314 4.281 4.331 0.001 2 0 "[ . 1 . 2]" 1
1455 1 61 GLU H 1 62 GLU HG2 . . 4.330 4.169 4.143 4.205 . 0 0 "[ . 1 . 2]" 1
1456 1 61 GLU H 1 61 GLU QB . . 3.510 2.224 2.067 2.266 . 0 0 "[ . 1 . 2]" 1
1457 1 61 GLU H 1 62 GLU H . . 4.040 2.476 2.458 2.499 . 0 0 "[ . 1 . 2]" 1
1458 1 60 THR HA 1 62 GLU H . . 4.290 4.250 4.145 4.294 0.004 13 0 "[ . 1 . 2]" 1
1459 1 60 THR HB 1 62 GLU H . . 3.710 2.547 2.486 2.580 . 0 0 "[ . 1 . 2]" 1
1460 1 62 GLU H 1 63 GLU HA . . 5.110 5.090 5.019 5.113 0.003 4 0 "[ . 1 . 2]" 1
1461 1 61 GLU QB 1 62 GLU H . . 3.040 2.883 2.823 2.961 . 0 0 "[ . 1 . 2]" 1
1462 1 62 GLU H 1 62 GLU HB3 . . 3.680 3.611 3.604 3.628 . 0 0 "[ . 1 . 2]" 1
1463 1 60 THR MG 1 62 GLU H . . 4.170 4.153 4.116 4.171 0.001 4 0 "[ . 1 . 2]" 1
1464 1 62 GLU H 1 63 GLU H . . 4.380 2.421 2.342 2.451 . 0 0 "[ . 1 . 2]" 1
1465 1 63 GLU H 1 64 PHE H . . 4.210 2.203 2.156 2.256 . 0 0 "[ . 1 . 2]" 1
1466 1 63 GLU H 1 63 GLU HB3 . . 4.030 2.404 2.377 2.495 . 0 0 "[ . 1 . 2]" 1
1467 1 63 GLU H 1 63 GLU HB2 . . 4.030 2.886 2.777 2.929 . 0 0 "[ . 1 . 2]" 1
1468 1 62 GLU H 1 64 PHE H . . 4.580 3.851 3.816 3.888 . 0 0 "[ . 1 . 2]" 1
1469 1 64 PHE H 1 64 PHE QD . . 4.270 4.177 4.114 4.200 . 0 0 "[ . 1 . 2]" 1
1470 1 60 THR HB 1 64 PHE H . . 5.370 4.983 4.929 5.012 . 0 0 "[ . 1 . 2]" 1
1471 1 61 GLU HA 1 64 PHE H . . 4.030 3.315 3.255 3.414 . 0 0 "[ . 1 . 2]" 1
1472 1 64 PHE H 1 64 PHE QB . . 3.300 2.256 2.213 2.278 . 0 0 "[ . 1 . 2]" 1
1473 1 63 GLU QG 1 64 PHE H . . 3.870 3.697 3.659 3.843 . 0 0 "[ . 1 . 2]" 1
1474 1 63 GLU HB3 1 64 PHE H . . 4.330 2.900 2.874 2.913 . 0 0 "[ . 1 . 2]" 1
1475 1 60 THR MG 1 64 PHE H . . 5.500 5.487 5.432 5.507 0.007 18 0 "[ . 1 . 2]" 1
1476 1 64 PHE H 1 65 VAL MG1 . . 4.990 4.534 4.292 4.786 . 0 0 "[ . 1 . 2]" 1
1477 1 59 THR MG 1 64 PHE H . . 5.200 5.073 5.031 5.119 . 0 0 "[ . 1 . 2]" 1
1478 1 64 PHE QD 1 65 VAL H . . 4.060 3.846 3.225 4.063 0.003 15 0 "[ . 1 . 2]" 1
1479 1 65 VAL H 1 65 VAL HB . . 4.180 3.691 3.608 3.750 . 0 0 "[ . 1 . 2]" 1
1480 1 66 GLU H 1 67 GLY H . . 4.660 4.592 4.571 4.616 . 0 0 "[ . 1 . 2]" 1
1481 1 65 VAL H 1 66 GLU H . . 4.780 4.476 4.444 4.560 . 0 0 "[ . 1 . 2]" 1
1482 1 65 VAL HA 1 66 GLU H . . 3.030 2.585 2.553 2.594 . 0 0 "[ . 1 . 2]" 1
1483 1 65 VAL HB 1 66 GLU H . . 2.990 2.010 1.982 2.067 . 0 0 "[ . 1 . 2]" 1
1484 1 66 GLU H 1 66 GLU HB2 . . 3.710 3.205 2.296 3.666 . 0 0 "[ . 1 . 2]" 1
1485 1 67 GLY H 1 97 ALA H . . 4.080 3.778 3.466 3.952 . 0 0 "[ . 1 . 2]" 1
1486 1 67 GLY H 1 69 TYR QD . . 5.170 4.737 4.553 5.051 . 0 0 "[ . 1 . 2]" 1
1487 1 66 GLU HA 1 67 GLY H . . 3.440 2.393 2.283 2.432 . 0 0 "[ . 1 . 2]" 1
1488 1 66 GLU HB2 1 67 GLY H . . 4.130 3.015 2.389 4.127 . 0 0 "[ . 1 . 2]" 1
1489 1 66 GLU HB3 1 67 GLY H . . 4.130 3.662 3.070 4.000 . 0 0 "[ . 1 . 2]" 1
1490 1 67 GLY H 1 96 THR MG . . 5.050 5.009 4.830 5.054 0.004 8 0 "[ . 1 . 2]" 1
1491 1 67 GLY H 1 97 ALA MB . . 3.900 2.198 1.860 2.576 . 0 0 "[ . 1 . 2]" 1
1492 1 35 LYS H 1 68 ILE H . . 3.990 3.818 3.710 3.922 . 0 0 "[ . 1 . 2]" 1
1493 1 67 GLY H 1 68 ILE H . . 4.620 4.463 4.424 4.492 . 0 0 "[ . 1 . 2]" 1
1494 1 41 TRP HZ3 1 68 ILE H . . 5.230 4.873 4.751 5.048 . 0 0 "[ . 1 . 2]" 1
1495 1 68 ILE H 1 69 TYR QD . . 5.280 4.571 4.242 4.932 . 0 0 "[ . 1 . 2]" 1
1496 1 34 ARG HA 1 68 ILE H . . 5.500 5.452 5.342 5.506 0.006 18 0 "[ . 1 . 2]" 1
1497 1 125 PRO HA 1 126 LYS H . . 2.900 2.226 2.159 2.386 . 0 0 "[ . 1 . 2]" 1
1498 1 67 GLY HA3 1 68 ILE H . . 3.150 2.441 2.333 2.571 . 0 0 "[ . 1 . 2]" 1
1499 1 67 GLY HA2 1 68 ILE H . . 3.100 2.695 2.555 2.823 . 0 0 "[ . 1 . 2]" 1
1500 1 126 LYS H 1 127 GLU QG . . 4.500 3.801 2.832 4.481 . 0 0 "[ . 1 . 2]" 1
1501 1 126 LYS H 1 126 LYS HB3 . . 3.630 2.627 2.333 3.379 . 0 0 "[ . 1 . 2]" 1
1502 1 126 LYS H 1 126 LYS QD . . 3.620 2.643 1.963 3.658 0.038 14 0 "[ . 1 . 2]" 1
1503 1 68 ILE H 1 68 ILE HB . . 3.400 2.638 2.618 2.654 . 0 0 "[ . 1 . 2]" 1
1504 1 126 LYS H 1 126 LYS QG . . 3.570 2.567 1.914 3.296 . 0 0 "[ . 1 . 2]" 1
1505 1 68 ILE H 1 68 ILE HG13 . . 3.750 2.831 2.717 2.937 . 0 0 "[ . 1 . 2]" 1
1506 1 68 ILE H 1 68 ILE MG . . 3.840 3.817 3.794 3.839 . 0 0 "[ . 1 . 2]" 1
1507 1 68 ILE H 1 68 ILE MD . . 3.480 2.084 1.904 2.287 . 0 0 "[ . 1 . 2]" 1
1508 1 68 ILE H 1 69 TYR H . . 4.700 4.571 4.547 4.596 . 0 0 "[ . 1 . 2]" 1
1509 1 69 TYR H 1 97 ALA H . . 4.890 4.507 3.934 4.851 . 0 0 "[ . 1 . 2]" 1
1510 1 41 TRP HZ3 1 69 TYR H . . 4.510 3.573 3.409 3.680 . 0 0 "[ . 1 . 2]" 1
1511 1 69 TYR H 1 96 THR HA . . 4.190 3.443 3.224 3.625 . 0 0 "[ . 1 . 2]" 1
1512 1 68 ILE HA 1 69 TYR H . . 3.400 2.253 2.230 2.262 . 0 0 "[ . 1 . 2]" 1
1513 1 69 TYR H 1 69 TYR HB3 . . 4.200 3.809 3.712 3.853 . 0 0 "[ . 1 . 2]" 1
1514 1 69 TYR H 1 69 TYR HB2 . . 3.910 2.703 2.557 2.771 . 0 0 "[ . 1 . 2]" 1
1515 1 70 LYS H 1 71 VAL H . . 4.700 4.309 4.030 4.423 . 0 0 "[ . 1 . 2]" 1
1516 1 70 LYS H 1 95 PHE H . . 5.020 4.819 4.581 4.911 . 0 0 "[ . 1 . 2]" 1
1517 1 41 TRP HE3 1 70 LYS H . . 4.260 3.401 3.171 3.881 . 0 0 "[ . 1 . 2]" 1
1518 1 41 TRP HZ3 1 70 LYS H . . 3.780 3.509 3.317 3.787 0.007 4 0 "[ . 1 . 2]" 1
1519 1 69 TYR QD 1 70 LYS H . . 3.980 3.815 3.303 3.986 0.006 20 0 "[ . 1 . 2]" 1
1520 1 33 PHE HA 1 70 LYS H . . 5.230 4.540 4.454 4.633 . 0 0 "[ . 1 . 2]" 1
1521 1 69 TYR HA 1 70 LYS H . . 3.150 2.275 2.205 2.424 . 0 0 "[ . 1 . 2]" 1
1522 1 34 ARG HA 1 70 LYS H . . 3.880 3.468 3.425 3.526 . 0 0 "[ . 1 . 2]" 1
1523 1 33 PHE HB3 1 70 LYS H . . 4.830 4.365 4.210 4.739 . 0 0 "[ . 1 . 2]" 1
1524 1 33 PHE HB2 1 70 LYS H . . 4.180 3.277 3.118 3.677 . 0 0 "[ . 1 . 2]" 1
1525 1 69 TYR HB3 1 70 LYS H . . 3.830 2.778 2.385 2.992 . 0 0 "[ . 1 . 2]" 1
1526 1 69 TYR HB2 1 70 LYS H . . 4.060 3.945 3.722 4.063 0.003 3 0 "[ . 1 . 2]" 1
1527 1 32 VAL MG1 1 70 LYS H . . 3.810 3.697 3.365 3.811 0.001 3 0 "[ . 1 . 2]" 1
1528 1 70 LYS H 1 71 VAL MG2 . . 4.430 4.207 3.868 4.389 . 0 0 "[ . 1 . 2]" 1
1529 1 70 LYS H 1 70 LYS HB3 . . 3.680 2.723 2.629 2.986 . 0 0 "[ . 1 . 2]" 1
1530 1 70 LYS H 1 70 LYS HB2 . . 3.890 2.982 2.880 3.249 . 0 0 "[ . 1 . 2]" 1
1531 1 71 VAL H 1 92 GLU HA . . 4.750 4.687 4.489 4.771 0.021 7 0 "[ . 1 . 2]" 1
1532 1 71 VAL H 1 93 VAL HA . . 5.130 4.877 4.782 4.945 . 0 0 "[ . 1 . 2]" 1
1533 1 70 LYS HA 1 71 VAL H . . 3.420 2.151 2.139 2.172 . 0 0 "[ . 1 . 2]" 1
1534 1 71 VAL H 1 71 VAL HB . . 3.830 2.537 2.505 2.606 . 0 0 "[ . 1 . 2]" 1
1535 1 71 VAL H 1 92 GLU HB3 . . 5.500 5.080 4.902 5.229 . 0 0 "[ . 1 . 2]" 1
1536 1 71 VAL H 1 119 MET ME . . 5.500 5.473 5.402 5.512 0.012 19 0 "[ . 1 . 2]" 1
1537 1 71 VAL H 1 71 VAL MG2 . . 3.640 2.658 2.527 2.785 . 0 0 "[ . 1 . 2]" 1
1538 1 71 VAL H 1 94 VAL MG2 . . 4.540 4.288 4.103 4.519 . 0 0 "[ . 1 . 2]" 1
1539 1 71 VAL H 1 71 VAL MG1 . . 3.840 3.802 3.792 3.825 . 0 0 "[ . 1 . 2]" 1
1540 1 33 PHE QE 1 72 GLU H . . 4.610 4.485 4.253 4.597 . 0 0 "[ . 1 . 2]" 1
1541 1 33 PHE QD 1 72 GLU H . . 4.800 4.222 3.964 4.314 . 0 0 "[ . 1 . 2]" 1
1542 1 72 GLU H 1 92 GLU HA . . 4.830 4.803 4.705 4.868 0.038 7 0 "[ . 1 . 2]" 1
1543 1 32 VAL HA 1 72 GLU H . . 4.030 3.726 3.589 3.790 . 0 0 "[ . 1 . 2]" 1
1544 1 71 VAL HA 1 72 GLU H . . 3.290 2.187 2.151 2.225 . 0 0 "[ . 1 . 2]" 1
1545 1 30 VAL HA 1 72 GLU H . . 4.840 4.533 4.422 4.656 . 0 0 "[ . 1 . 2]" 1
1546 1 31 HIS HB2 1 72 GLU H . . 4.680 3.262 3.187 3.318 . 0 0 "[ . 1 . 2]" 1
1547 1 72 GLU H 1 72 GLU HB3 . . 4.110 3.691 3.390 3.788 . 0 0 "[ . 1 . 2]" 1
1548 1 72 GLU H 1 72 GLU HG2 . . 4.710 3.974 3.688 4.553 . 0 0 "[ . 1 . 2]" 1
1549 1 72 GLU H 1 72 GLU HB2 . . 3.760 2.585 2.420 2.676 . 0 0 "[ . 1 . 2]" 1
1550 1 32 VAL MG1 1 72 GLU H . . 5.490 5.116 4.986 5.174 . 0 0 "[ . 1 . 2]" 1
1551 1 71 VAL MG2 1 72 GLU H . . 4.140 3.895 3.840 3.962 . 0 0 "[ . 1 . 2]" 1
1552 1 71 VAL MG1 1 72 GLU H . . 3.470 2.413 2.206 2.606 . 0 0 "[ . 1 . 2]" 1
1553 1 72 GLU HB3 1 73 ILE H . . 4.560 3.473 3.272 3.795 . 0 0 "[ . 1 . 2]" 1
1554 1 72 GLU HB2 1 73 ILE H . . 4.560 4.340 4.138 4.569 0.009 18 0 "[ . 1 . 2]" 1
1555 1 73 ILE H 1 73 ILE HG12 . . 4.400 3.569 3.476 3.690 . 0 0 "[ . 1 . 2]" 1
1556 1 73 ILE H 1 75 THR MG . . 4.980 4.894 4.790 4.988 0.008 17 0 "[ . 1 . 2]" 1
1557 1 73 ILE H 1 73 ILE HG13 . . 4.360 2.412 2.324 2.554 . 0 0 "[ . 1 . 2]" 1
1558 1 71 VAL MG1 1 73 ILE H . . 4.510 3.824 3.646 4.097 . 0 0 "[ . 1 . 2]" 1
1559 1 30 VAL MG1 1 73 ILE H . . 4.560 4.461 4.271 4.564 0.004 19 0 "[ . 1 . 2]" 1
1560 1 73 ILE H 1 73 ILE MG . . 4.780 3.854 3.842 3.882 . 0 0 "[ . 1 . 2]" 1
1561 1 73 ILE HA 1 74 ASP H . . 3.350 2.168 2.140 2.193 . 0 0 "[ . 1 . 2]" 1
1562 1 30 VAL HA 1 74 ASP H . . 3.830 3.403 3.310 3.554 . 0 0 "[ . 1 . 2]" 1
1563 1 74 ASP H 1 74 ASP HB2 . . 3.620 2.381 2.206 2.568 . 0 0 "[ . 1 . 2]" 1
1564 1 74 ASP H 1 74 ASP HB3 . . 3.620 3.344 2.827 3.626 0.006 11 0 "[ . 1 . 2]" 1
1565 1 73 ILE H 1 73 ILE HB . . 4.030 2.676 2.659 2.718 . 0 0 "[ . 1 . 2]" 1
1566 1 73 ILE HB 1 91 ALA H . . 4.100 3.036 2.942 3.154 . 0 0 "[ . 1 . 2]" 1
1567 1 29 ALA MB 1 74 ASP H . . 3.780 3.482 3.237 3.600 . 0 0 "[ . 1 . 2]" 1
1568 1 75 THR MG 1 91 ALA H . . 3.950 3.158 2.941 3.339 . 0 0 "[ . 1 . 2]" 1
1569 1 73 ILE HG13 1 91 ALA H . . 4.650 4.633 4.531 4.659 0.009 1 0 "[ . 1 . 2]" 1
1570 1 73 ILE MG 1 74 ASP H . . 3.340 2.433 2.089 2.714 . 0 0 "[ . 1 . 2]" 1
1571 1 90 HIS HB2 1 91 ALA H . . 3.620 2.403 2.279 2.694 . 0 0 "[ . 1 . 2]" 1
1572 1 74 ASP H 1 75 THR HA . . 5.280 4.857 4.791 4.932 . 0 0 "[ . 1 . 2]" 1
1573 1 28 VAL HA 1 74 ASP H . . 5.500 4.934 4.784 5.351 . 0 0 "[ . 1 . 2]" 1
1574 1 90 HIS HA 1 91 ALA H . . 3.360 2.419 2.301 2.472 . 0 0 "[ . 1 . 2]" 1
1575 1 72 GLU HA 1 91 ALA H . . 5.130 4.646 4.531 4.816 . 0 0 "[ . 1 . 2]" 1
1576 1 90 HIS H 1 91 ALA H . . 4.620 4.406 4.367 4.443 . 0 0 "[ . 1 . 2]" 1
1577 1 73 ILE H 1 91 ALA H . . 3.990 3.032 2.861 3.174 . 0 0 "[ . 1 . 2]" 1
1578 1 75 THR H 1 90 HIS HA . . 3.760 2.773 2.613 2.926 . 0 0 "[ . 1 . 2]" 1
1579 1 74 ASP HA 1 75 THR H . . 3.230 2.296 2.218 2.321 . 0 0 "[ . 1 . 2]" 1
1580 1 75 THR H 1 90 HIS HB3 . . 4.310 3.897 3.710 4.006 . 0 0 "[ . 1 . 2]" 1
1581 1 75 THR H 1 76 LYS QB . . 4.920 4.587 4.217 4.797 . 0 0 "[ . 1 . 2]" 1
1582 1 73 ILE HB 1 75 THR H . . 4.890 4.219 4.112 4.522 . 0 0 "[ . 1 . 2]" 1
1583 1 75 THR H 1 111 LEU HG . . 5.500 5.349 5.186 5.513 0.013 12 0 "[ . 1 . 2]" 1
1584 1 75 THR H 1 91 ALA MB . . 4.970 4.404 4.262 4.669 . 0 0 "[ . 1 . 2]" 1
1585 1 75 THR H 1 75 THR MG . . 3.490 1.939 1.906 2.069 . 0 0 "[ . 1 . 2]" 1
1586 1 73 ILE MG 1 75 THR H . . 4.320 3.384 3.198 3.622 . 0 0 "[ . 1 . 2]" 1
1587 1 75 THR HB 1 76 LYS H . . 4.790 4.102 4.024 4.141 . 0 0 "[ . 1 . 2]" 1
1588 1 76 LYS H 1 90 HIS HA . . 4.530 3.904 3.662 4.110 . 0 0 "[ . 1 . 2]" 1
1589 1 74 ASP HA 1 76 LYS H . . 4.020 3.299 3.234 3.361 . 0 0 "[ . 1 . 2]" 1
1590 1 76 LYS H 1 77 SER QB . . 4.920 4.782 4.516 4.936 0.016 3 0 "[ . 1 . 2]" 1
1591 1 76 LYS H 1 90 HIS HB3 . . 4.670 4.504 4.225 4.672 0.002 17 0 "[ . 1 . 2]" 1
1592 1 76 LYS H 1 76 LYS QE . . 5.090 4.409 2.176 4.973 . 0 0 "[ . 1 . 2]" 1
1593 1 76 LYS H 1 78 TYR HB3 . . 5.500 5.508 5.223 5.552 0.052 12 0 "[ . 1 . 2]" 1
1594 1 76 LYS H 1 76 LYS QB . . 2.990 2.424 2.242 2.527 . 0 0 "[ . 1 . 2]" 1
1595 1 76 LYS H 1 76 LYS QD . . 4.230 3.675 1.986 4.143 . 0 0 "[ . 1 . 2]" 1
1596 1 76 LYS H 1 76 LYS HG2 . . 4.000 3.250 2.978 3.677 . 0 0 "[ . 1 . 2]" 1
1597 1 75 THR MG 1 76 LYS H . . 4.180 3.773 3.749 3.817 . 0 0 "[ . 1 . 2]" 1
1598 1 76 LYS H 1 79 TRP HD1 . . 4.880 3.586 3.362 3.735 . 0 0 "[ . 1 . 2]" 1
1599 1 76 LYS H 1 76 LYS HG3 . . 4.000 2.536 2.120 3.977 . 0 0 "[ . 1 . 2]" 1
1600 1 78 TYR H 1 80 LYS H . . 4.310 3.853 3.813 4.117 . 0 0 "[ . 1 . 2]" 1
1601 1 78 TYR H 1 78 TYR QR . . 4.820 4.156 4.105 4.165 . 0 0 "[ . 1 . 2]" 1
1602 1 77 SER QB 1 78 TYR H . . 3.970 2.773 2.432 2.886 . 0 0 "[ . 1 . 2]" 1
1603 1 78 TYR H 1 78 TYR HB3 . . 3.650 2.525 2.322 2.586 . 0 0 "[ . 1 . 2]" 1
1604 1 78 TYR H 1 78 TYR HB2 . . 3.740 2.648 2.593 2.892 . 0 0 "[ . 1 . 2]" 1
1605 1 76 LYS QB 1 78 TYR H . . 5.500 5.028 4.923 5.508 0.008 7 0 "[ . 1 . 2]" 1
1606 1 28 VAL MG1 1 78 TYR H . . 5.500 4.799 4.482 5.060 . 0 0 "[ . 1 . 2]" 1
1607 1 79 TRP H 1 80 LYS H . . 3.580 2.398 2.364 2.437 . 0 0 "[ . 1 . 2]" 1
1608 1 78 TYR H 1 79 TRP H . . 3.420 2.347 2.322 2.696 . 0 0 "[ . 1 . 2]" 1
1609 1 75 THR HB 1 79 TRP H . . 4.850 4.591 4.484 4.764 . 0 0 "[ . 1 . 2]" 1
1610 1 76 LYS HA 1 79 TRP H . . 3.860 3.302 3.107 3.732 . 0 0 "[ . 1 . 2]" 1
1611 1 79 TRP H 1 79 TRP HB3 . . 3.940 3.604 3.586 3.610 . 0 0 "[ . 1 . 2]" 1
1612 1 79 TRP H 1 79 TRP HB2 . . 3.940 2.422 2.367 2.441 . 0 0 "[ . 1 . 2]" 1
1613 1 78 TYR HB2 1 79 TRP H . . 4.190 4.031 3.982 4.168 . 0 0 "[ . 1 . 2]" 1
1614 1 76 LYS QB 1 79 TRP H . . 5.180 4.779 4.566 5.067 . 0 0 "[ . 1 . 2]" 1
1615 1 79 TRP H 1 80 LYS HB3 . . 4.510 4.515 4.385 4.548 0.038 9 0 "[ . 1 . 2]" 1
1616 1 76 LYS QD 1 79 TRP H . . 5.500 5.170 4.997 5.444 . 0 0 "[ . 1 . 2]" 1
1617 1 79 TRP H 1 84 ILE HB . . 5.500 5.362 5.325 5.399 . 0 0 "[ . 1 . 2]" 1
1618 1 79 TRP H 1 84 ILE MG . . 5.500 5.267 5.174 5.351 . 0 0 "[ . 1 . 2]" 1
1619 1 78 TYR HB3 1 79 TRP H . . 3.650 2.942 2.924 2.990 . 0 0 "[ . 1 . 2]" 1
1620 1 79 TRP HB3 1 80 LYS H . . 4.860 3.930 3.906 3.962 . 0 0 "[ . 1 . 2]" 1
1621 1 80 LYS H 1 80 LYS HB3 . . 3.250 2.455 2.301 2.474 . 0 0 "[ . 1 . 2]" 1
1622 1 80 LYS H 1 80 LYS QD . . 4.440 4.194 4.178 4.279 . 0 0 "[ . 1 . 2]" 1
1623 1 79 TRP H 1 81 ALA H . . 4.580 3.919 3.903 3.989 . 0 0 "[ . 1 . 2]" 1
1624 1 81 ALA H 1 82 LEU H . . 3.170 2.617 2.594 2.650 . 0 0 "[ . 1 . 2]" 1
1625 1 79 TRP HA 1 81 ALA H . . 4.170 3.913 3.865 3.957 . 0 0 "[ . 1 . 2]" 1
1626 1 77 SER QB 1 81 ALA H . . 5.500 5.518 5.491 5.542 0.042 16 0 "[ . 1 . 2]" 1
1627 1 80 LYS HB2 1 81 ALA H . . 4.420 4.207 4.190 4.295 . 0 0 "[ . 1 . 2]" 1
1628 1 80 LYS HG2 1 81 ALA H . . 4.390 3.960 3.939 4.077 . 0 0 "[ . 1 . 2]" 1
1629 1 81 ALA H 1 81 ALA MB . . 2.750 2.093 2.031 2.221 . 0 0 "[ . 1 . 2]" 1
1630 1 81 ALA H 1 82 LEU MD1 . . 5.390 3.240 3.196 3.330 . 0 0 "[ . 1 . 2]" 1
1631 1 81 ALA H 1 82 LEU MD2 . . 5.390 5.211 5.191 5.239 . 0 0 "[ . 1 . 2]" 1
1632 1 82 LEU H 1 82 LEU HB2 . . 3.880 3.430 3.414 3.448 . 0 0 "[ . 1 . 2]" 1
1633 1 82 LEU H 1 82 LEU HB3 . . 4.170 3.445 3.427 3.465 . 0 0 "[ . 1 . 2]" 1
1634 1 81 ALA MB 1 82 LEU H . . 3.040 2.732 2.629 2.787 . 0 0 "[ . 1 . 2]" 1
1635 1 82 LEU H 1 83 GLY HA2 . . 4.470 4.317 4.312 4.320 . 0 0 "[ . 1 . 2]" 1
1636 1 80 LYS H 1 82 LEU H . . 4.380 4.279 4.257 4.323 . 0 0 "[ . 1 . 2]" 1
1637 1 82 LEU H 1 84 ILE H . . 3.890 3.792 3.777 3.803 . 0 0 "[ . 1 . 2]" 1
1638 1 81 ALA H 1 83 GLY H . . 3.740 3.670 3.644 3.691 . 0 0 "[ . 1 . 2]" 1
1639 1 82 LEU H 1 83 GLY H . . 2.940 2.000 1.995 2.004 . 0 0 "[ . 1 . 2]" 1
1640 1 83 GLY H 1 83 GLY HA3 . . 2.940 2.919 2.917 2.922 . 0 0 "[ . 1 . 2]" 1
1641 1 83 GLY H 1 83 GLY HA2 . . 2.880 2.353 2.351 2.358 . 0 0 "[ . 1 . 2]" 1
1642 1 80 LYS HB2 1 83 GLY H . . 5.440 5.171 5.138 5.217 . 0 0 "[ . 1 . 2]" 1
1643 1 82 LEU HB2 1 83 GLY H . . 3.600 3.538 3.510 3.562 . 0 0 "[ . 1 . 2]" 1
1644 1 81 ALA MB 1 83 GLY H . . 4.470 4.321 4.285 4.338 . 0 0 "[ . 1 . 2]" 1
1645 1 83 GLY H 1 84 ILE MD . . 4.270 3.534 3.448 3.602 . 0 0 "[ . 1 . 2]" 1
1646 1 84 ILE HA 1 85 SER H . . 2.780 2.209 2.203 2.215 . 0 0 "[ . 1 . 2]" 1
1647 1 85 SER H 1 85 SER HB2 . . 3.090 2.315 2.275 2.363 . 0 0 "[ . 1 . 2]" 1
1648 1 85 SER H 1 85 SER HB3 . . 3.090 2.787 2.727 2.838 . 0 0 "[ . 1 . 2]" 1
1649 1 36 ALA HA 1 37 ALA H . . 3.170 2.633 2.622 2.641 . 0 0 "[ . 1 . 2]" 1
1650 1 118 THR HA 1 119 MET H . . 3.270 2.171 2.143 2.225 . 0 0 "[ . 1 . 2]" 1
1651 1 8 SER HA 1 9 LYS H . . 2.930 2.432 2.144 2.921 . 0 0 "[ . 1 . 2]" 1
1652 1 109 ALA HA 1 119 MET H . . 5.390 4.937 4.789 5.219 . 0 0 "[ . 1 . 2]" 1
1653 1 37 ALA H 1 40 THR H . . 4.960 4.860 4.799 4.951 . 0 0 "[ . 1 . 2]" 1
1654 1 85 SER H 1 114 TYR QE . . 4.440 4.373 4.135 4.458 0.018 19 0 "[ . 1 . 2]" 1
1655 1 30 VAL H 1 31 HIS H . . 4.500 4.452 4.440 4.468 . 0 0 "[ . 1 . 2]" 1
1656 1 119 MET H 1 119 MET HB2 . . 3.650 3.079 2.813 3.409 . 0 0 "[ . 1 . 2]" 1
1657 1 9 LYS H 1 9 LYS HB2 . . 3.750 2.603 2.208 3.092 . 0 0 "[ . 1 . 2]" 1
1658 1 84 ILE HB 1 85 SER H . . 4.180 4.269 4.264 4.273 0.093 10 0 "[ . 1 . 2]" 1
1659 1 37 ALA H 1 37 ALA MB . . 2.590 2.190 2.078 2.283 . 0 0 "[ . 1 . 2]" 1
1660 1 84 ILE HG13 1 85 SER H . . 3.600 3.357 3.290 3.461 . 0 0 "[ . 1 . 2]" 1
1661 1 84 ILE MD 1 85 SER H . . 3.870 3.889 3.873 3.899 0.029 7 0 "[ . 1 . 2]" 1
1662 1 84 ILE MG 1 85 SER H . . 3.090 2.370 2.343 2.387 . 0 0 "[ . 1 . 2]" 1
1663 1 87 MET H 1 88 HIS H . . 3.820 2.271 2.130 2.847 . 0 0 "[ . 1 . 2]" 1
1664 1 87 MET H 1 87 MET HG2 . . 4.030 2.978 2.278 3.986 . 0 0 "[ . 1 . 2]" 1
1665 1 87 MET H 1 87 MET HG3 . . 4.030 3.478 2.531 4.035 0.005 1 0 "[ . 1 . 2]" 1
1666 1 87 MET H 1 87 MET HB2 . . 3.680 2.441 2.173 2.604 . 0 0 "[ . 1 . 2]" 1
1667 1 87 MET H 1 87 MET HB3 . . 3.680 3.624 3.483 3.678 . 0 0 "[ . 1 . 2]" 1
1668 1 87 MET HB2 1 88 HIS H . . 4.310 2.857 2.383 3.042 . 0 0 "[ . 1 . 2]" 1
1669 1 87 MET HB3 1 88 HIS H . . 4.310 3.751 3.103 3.992 . 0 0 "[ . 1 . 2]" 1
1670 1 90 HIS H 1 90 HIS HB3 . . 4.090 3.481 3.383 3.588 . 0 0 "[ . 1 . 2]" 1
1671 1 90 HIS H 1 90 HIS HB2 . . 4.030 3.840 3.779 3.915 . 0 0 "[ . 1 . 2]" 1
1672 1 92 GLU H 1 92 GLU HG2 . . 3.930 3.555 3.195 3.982 0.052 11 0 "[ . 1 . 2]" 1
1673 1 92 GLU H 1 92 GLU HB2 . . 4.020 2.755 2.721 2.811 . 0 0 "[ . 1 . 2]" 1
1674 1 92 GLU H 1 92 GLU HG3 . . 3.930 2.649 2.481 2.756 . 0 0 "[ . 1 . 2]" 1
1675 1 92 GLU H 1 92 GLU HB3 . . 3.840 3.763 3.725 3.787 . 0 0 "[ . 1 . 2]" 1
1676 1 91 ALA MB 1 92 GLU H . . 3.630 3.277 3.262 3.297 . 0 0 "[ . 1 . 2]" 1
1677 1 92 GLU H 1 93 VAL MG2 . . 4.370 3.842 3.738 3.941 . 0 0 "[ . 1 . 2]" 1
1678 1 71 VAL H 1 93 VAL H . . 3.780 3.038 2.906 3.116 . 0 0 "[ . 1 . 2]" 1
1679 1 93 VAL H 1 95 PHE QD . . 5.500 5.476 5.240 5.516 0.016 7 0 "[ . 1 . 2]" 1
1680 1 92 GLU HA 1 93 VAL H . . 3.160 2.166 2.154 2.203 . 0 0 "[ . 1 . 2]" 1
1681 1 72 GLU HA 1 93 VAL H . . 4.010 3.750 3.625 3.818 . 0 0 "[ . 1 . 2]" 1
1682 1 93 VAL H 1 93 VAL HB . . 3.760 2.801 2.767 2.867 . 0 0 "[ . 1 . 2]" 1
1683 1 71 VAL HB 1 93 VAL H . . 4.050 3.594 3.459 3.799 . 0 0 "[ . 1 . 2]" 1
1684 1 92 GLU HB2 1 93 VAL H . . 4.280 3.978 3.798 4.054 . 0 0 "[ . 1 . 2]" 1
1685 1 92 GLU HB3 1 93 VAL H . . 3.300 3.219 3.069 3.298 . 0 0 "[ . 1 . 2]" 1
1686 1 93 VAL H 1 93 VAL MG1 . . 4.130 3.916 3.894 3.943 . 0 0 "[ . 1 . 2]" 1
1687 1 71 VAL MG1 1 93 VAL H . . 4.630 4.209 4.089 4.381 . 0 0 "[ . 1 . 2]" 1
1688 1 93 VAL HB 1 94 VAL H . . 4.210 3.924 3.829 4.015 . 0 0 "[ . 1 . 2]" 1
1689 1 94 VAL H 1 94 VAL HB . . 3.470 2.576 2.546 2.615 . 0 0 "[ . 1 . 2]" 1
1690 1 93 VAL MG1 1 94 VAL H . . 3.270 2.242 2.118 2.371 . 0 0 "[ . 1 . 2]" 1
1691 1 93 VAL HA 1 94 VAL H . . 3.280 2.223 2.192 2.247 . 0 0 "[ . 1 . 2]" 1
1692 1 93 VAL H 1 94 VAL H . . 4.530 4.380 4.339 4.425 . 0 0 "[ . 1 . 2]" 1
1693 1 94 VAL HB 1 95 PHE H . . 4.300 4.120 4.072 4.185 . 0 0 "[ . 1 . 2]" 1
1694 1 94 VAL MG1 1 95 PHE H . . 3.300 2.391 2.199 2.646 . 0 0 "[ . 1 . 2]" 1
1695 1 68 ILE MG 1 95 PHE H . . 3.440 3.166 3.013 3.346 . 0 0 "[ . 1 . 2]" 1
1696 1 94 VAL HA 1 95 PHE H . . 3.120 2.166 2.148 2.179 . 0 0 "[ . 1 . 2]" 1
1697 1 41 TRP HH2 1 95 PHE H . . 5.090 4.846 4.579 5.092 0.002 19 0 "[ . 1 . 2]" 1
1698 1 95 PHE H 1 95 PHE QE . . 4.540 4.503 4.419 4.551 0.011 17 0 "[ . 1 . 2]" 1
1699 1 71 VAL H 1 95 PHE H . . 4.680 4.541 4.422 4.687 0.007 9 0 "[ . 1 . 2]" 1
1700 1 69 TYR H 1 95 PHE H . . 4.130 2.974 2.851 3.101 . 0 0 "[ . 1 . 2]" 1
1701 1 94 VAL H 1 95 PHE H . . 4.510 4.442 4.381 4.484 . 0 0 "[ . 1 . 2]" 1
1702 1 95 PHE QB 1 96 THR H . . 3.550 3.308 3.103 3.493 . 0 0 "[ . 1 . 2]" 1
1703 1 95 PHE QD 1 96 THR H . . 4.870 4.558 4.433 4.694 . 0 0 "[ . 1 . 2]" 1
1704 1 96 THR H 1 97 ALA H . . 4.660 4.482 4.338 4.601 . 0 0 "[ . 1 . 2]" 1
1705 1 95 PHE H 1 96 THR H . . 4.560 4.254 4.144 4.352 . 0 0 "[ . 1 . 2]" 1
1706 1 95 PHE HA 1 96 THR H . . 3.210 2.144 2.138 2.163 . 0 0 "[ . 1 . 2]" 1
1707 1 96 THR H 1 96 THR HB . . 3.470 2.609 2.494 2.787 . 0 0 "[ . 1 . 2]" 1
1708 1 96 THR H 1 96 THR MG . . 3.910 3.816 3.773 3.858 . 0 0 "[ . 1 . 2]" 1
1709 1 68 ILE MG 1 96 THR H . . 3.980 3.605 3.379 3.827 . 0 0 "[ . 1 . 2]" 1
1710 1 68 ILE H 1 97 ALA H . . 4.810 4.330 4.137 4.527 . 0 0 "[ . 1 . 2]" 1
1711 1 69 TYR QD 1 97 ALA H . . 4.690 4.251 3.638 4.588 . 0 0 "[ . 1 . 2]" 1
1712 1 96 THR HA 1 97 ALA H . . 3.420 2.170 2.143 2.256 . 0 0 "[ . 1 . 2]" 1
1713 1 68 ILE HA 1 97 ALA H . . 4.090 2.703 2.267 3.022 . 0 0 "[ . 1 . 2]" 1
1714 1 96 THR HB 1 97 ALA H . . 4.540 4.073 3.626 4.317 . 0 0 "[ . 1 . 2]" 1
1715 1 68 ILE HG12 1 97 ALA H . . 4.670 4.611 4.441 4.674 0.004 16 0 "[ . 1 . 2]" 1
1716 1 100 SER H 1 101 GLY H . . 4.790 3.742 2.238 4.630 . 0 0 "[ . 1 . 2]" 1
1717 1 105 TYR QR 1 106 THR H . . 4.840 3.637 2.791 4.304 . 0 0 "[ . 1 . 2]" 1
1718 1 13 MET QB 1 106 THR H . . 4.940 4.451 4.124 4.935 . 0 0 "[ . 1 . 2]" 1
1719 1 106 THR H 1 106 THR MG . . 4.280 3.846 3.785 3.890 . 0 0 "[ . 1 . 2]" 1
1720 1 107 ILE H 1 108 ALA HA . . 5.290 4.981 4.895 5.124 . 0 0 "[ . 1 . 2]" 1
1721 1 106 THR HA 1 107 ILE H . . 3.370 2.212 2.185 2.235 . 0 0 "[ . 1 . 2]" 1
1722 1 107 ILE H 1 107 ILE HB . . 3.870 2.598 2.535 2.653 . 0 0 "[ . 1 . 2]" 1
1723 1 107 ILE H 1 107 ILE HG13 . . 4.260 3.974 3.812 4.111 . 0 0 "[ . 1 . 2]" 1
1724 1 107 ILE H 1 107 ILE MG . . 3.920 3.830 3.802 3.856 . 0 0 "[ . 1 . 2]" 1
1725 1 107 ILE H 1 107 ILE MD . . 4.230 3.478 3.322 3.677 . 0 0 "[ . 1 . 2]" 1
1726 1 107 ILE H 1 107 ILE HG12 . . 4.380 2.571 2.356 2.770 . 0 0 "[ . 1 . 2]" 1
1727 1 108 ALA H 1 120 ALA H . . 4.110 3.887 3.422 4.111 0.001 17 0 "[ . 1 . 2]" 1
1728 1 107 ILE HB 1 108 ALA H . . 4.760 4.268 4.180 4.409 . 0 0 "[ . 1 . 2]" 1
1729 1 108 ALA HA 1 109 ALA H . . 3.430 2.145 2.141 2.151 . 0 0 "[ . 1 . 2]" 1
1730 1 109 ALA H 1 110 MET HG2 . . 5.350 5.287 5.068 5.356 0.006 11 0 "[ . 1 . 2]" 1
1731 1 17 LEU HB2 1 109 ALA H . . 5.500 4.299 4.110 4.448 . 0 0 "[ . 1 . 2]" 1
1732 1 109 ALA H 1 120 ALA MB . . 5.260 5.056 4.914 5.261 0.001 11 0 "[ . 1 . 2]" 1
1733 1 109 ALA H 1 109 ALA MB . . 3.280 2.456 2.372 2.557 . 0 0 "[ . 1 . 2]" 1
1734 1 107 ILE MG 1 109 ALA H . . 4.300 4.074 3.822 4.301 0.001 18 0 "[ . 1 . 2]" 1
1735 1 109 ALA HA 1 110 MET H . . 3.230 2.203 2.173 2.236 . 0 0 "[ . 1 . 2]" 1
1736 1 110 MET H 1 110 MET HB2 . . 3.700 2.412 2.371 2.508 . 0 0 "[ . 1 . 2]" 1
1737 1 110 MET H 1 110 MET HB3 . . 3.810 3.620 3.597 3.684 . 0 0 "[ . 1 . 2]" 1
1738 1 110 MET H 1 111 LEU MD1 . . 4.270 4.169 3.966 4.245 . 0 0 "[ . 1 . 2]" 1
1739 1 110 MET HA 1 111 LEU H . . 3.300 2.229 2.178 2.255 . 0 0 "[ . 1 . 2]" 1
1740 1 111 LEU H 1 111 LEU HG . . 4.590 4.511 4.448 4.554 . 0 0 "[ . 1 . 2]" 1
1741 1 109 ALA MB 1 111 LEU H . . 5.240 5.211 5.051 5.256 0.016 16 0 "[ . 1 . 2]" 1
1742 1 16 VAL MG1 1 111 LEU H . . 4.590 4.607 4.598 4.614 0.024 13 0 "[ . 1 . 2]" 1
1743 1 111 LEU H 1 111 LEU MD2 . . 3.990 3.938 3.805 4.000 0.010 4 0 "[ . 1 . 2]" 1
1744 1 79 TRP HZ2 1 111 LEU H . . 5.350 5.326 5.300 5.350 . 0 0 "[ . 1 . 2]" 1
1745 1 18 ASP H 1 111 LEU H . . 5.160 4.413 4.352 4.490 . 0 0 "[ . 1 . 2]" 1
1746 1 17 LEU H 1 111 LEU H . . 4.860 4.332 4.265 4.388 . 0 0 "[ . 1 . 2]" 1
1747 1 111 LEU H 1 112 SER H . . 5.280 4.382 4.319 4.497 . 0 0 "[ . 1 . 2]" 1
1748 1 110 MET H 1 111 LEU H . . 4.540 4.486 4.395 4.526 . 0 0 "[ . 1 . 2]" 1
1749 1 19 ALA H 1 112 SER H . . 5.020 4.692 4.559 4.875 . 0 0 "[ . 1 . 2]" 1
1750 1 79 TRP HH2 1 112 SER H . . 5.420 5.436 5.421 5.457 0.037 18 0 "[ . 1 . 2]" 1
1751 1 79 TRP HZ2 1 112 SER H . . 4.420 4.094 3.918 4.196 . 0 0 "[ . 1 . 2]" 1
1752 1 112 SER H 1 112 SER HB2 . . 3.950 3.485 3.018 3.861 . 0 0 "[ . 1 . 2]" 1
1753 1 112 SER H 1 112 SER HB3 . . 3.950 3.540 3.140 3.792 . 0 0 "[ . 1 . 2]" 1
1754 1 111 LEU HB2 1 112 SER H . . 4.490 4.471 4.306 4.526 0.036 17 0 "[ . 1 . 2]" 1
1755 1 111 LEU HB3 1 112 SER H . . 4.490 3.544 3.194 3.687 . 0 0 "[ . 1 . 2]" 1
1756 1 111 LEU HG 1 112 SER H . . 4.460 4.002 3.732 4.200 . 0 0 "[ . 1 . 2]" 1
1757 1 111 LEU MD1 1 112 SER H . . 3.810 3.852 3.836 3.868 0.058 17 0 "[ . 1 . 2]" 1
1758 1 112 SER HA 1 114 TYR H . . 4.310 3.598 3.333 3.695 . 0 0 "[ . 1 . 2]" 1
1759 1 114 TYR H 1 115 SER HA . . 5.360 5.163 4.613 5.287 . 0 0 "[ . 1 . 2]" 1
1760 1 114 TYR H 1 114 TYR HB2 . . 3.790 2.651 2.598 2.725 . 0 0 "[ . 1 . 2]" 1
1761 1 114 TYR H 1 114 TYR HB3 . . 3.790 3.623 3.597 3.715 . 0 0 "[ . 1 . 2]" 1
1762 1 20 VAL MG2 1 114 TYR H . . 4.210 3.447 3.276 3.554 . 0 0 "[ . 1 . 2]" 1
1763 1 84 ILE MG 1 114 TYR H . . 5.500 5.432 5.252 5.515 0.015 7 0 "[ . 1 . 2]" 1
1764 1 114 TYR H 1 114 TYR QE . . 4.640 4.099 3.955 4.543 . 0 0 "[ . 1 . 2]" 1
1765 1 68 ILE HA 1 96 THR H . . 4.870 4.718 4.598 4.834 . 0 0 "[ . 1 . 2]" 1
1766 1 114 TYR HB2 1 115 SER H . . 4.260 2.228 1.918 3.124 . 0 0 "[ . 1 . 2]" 1
1767 1 114 TYR HB3 1 115 SER H . . 4.260 3.512 3.265 4.176 . 0 0 "[ . 1 . 2]" 1
1768 1 112 SER HA 1 115 SER H . . 4.700 4.213 3.910 4.473 . 0 0 "[ . 1 . 2]" 1
1769 1 114 TYR H 1 115 SER H . . 3.390 2.628 2.446 2.798 . 0 0 "[ . 1 . 2]" 1
1770 1 110 MET H 1 118 THR H . . 4.410 3.772 3.422 4.459 0.049 19 0 "[ . 1 . 2]" 1
1771 1 118 THR H 1 118 THR HB . . 3.850 3.277 2.993 3.851 0.001 19 0 "[ . 1 . 2]" 1
1772 1 110 MET HB2 1 118 THR H . . 4.330 3.533 3.093 4.357 0.027 19 0 "[ . 1 . 2]" 1
1773 1 110 MET HB3 1 118 THR H . . 5.320 4.375 3.828 5.219 . 0 0 "[ . 1 . 2]" 1
1774 1 118 THR H 1 119 MET HB2 . . 5.500 4.598 3.950 4.887 . 0 0 "[ . 1 . 2]" 1
1775 1 118 THR H 1 118 THR MG . . 4.170 3.858 3.458 4.049 . 0 0 "[ . 1 . 2]" 1
1776 1 111 LEU MD1 1 118 THR H . . 5.240 5.120 4.824 5.288 0.048 16 0 "[ . 1 . 2]" 1
1777 1 109 ALA HA 1 120 ALA H . . 4.270 3.091 2.703 3.425 . 0 0 "[ . 1 . 2]" 1
1778 1 107 ILE HA 1 120 ALA H . . 5.500 5.193 4.866 5.484 . 0 0 "[ . 1 . 2]" 1
1779 1 119 MET H 1 120 ALA H . . 4.560 4.219 4.023 4.428 . 0 0 "[ . 1 . 2]" 1
1780 1 120 ALA H 1 121 VAL H . . 5.000 4.305 4.115 4.521 . 0 0 "[ . 1 . 2]" 1
1781 1 108 ALA MB 1 120 ALA H . . 3.990 3.763 3.392 3.975 . 0 0 "[ . 1 . 2]" 1
1782 1 119 MET HB3 1 120 ALA H . . 4.470 3.831 2.813 4.381 . 0 0 "[ . 1 . 2]" 1
1783 1 119 MET HB2 1 120 ALA H . . 4.660 4.271 4.042 4.517 . 0 0 "[ . 1 . 2]" 1
1784 1 107 ILE MG 1 120 ALA H . . 4.810 3.492 3.117 3.802 . 0 0 "[ . 1 . 2]" 1
1785 1 120 ALA H 1 121 VAL MG2 . . 5.500 4.031 3.701 4.414 . 0 0 "[ . 1 . 2]" 1
1786 1 121 VAL H 1 121 VAL HB . . 3.410 2.685 2.568 2.766 . 0 0 "[ . 1 . 2]" 1
1787 1 121 VAL H 1 122 VAL MG2 . . 4.410 4.372 4.250 4.426 0.016 17 0 "[ . 1 . 2]" 1
1788 1 121 VAL H 1 121 VAL MG2 . . 3.540 2.685 2.509 2.915 . 0 0 "[ . 1 . 2]" 1
1789 1 121 VAL MG1 1 122 VAL H . . 4.470 2.377 2.049 2.945 . 0 0 "[ . 1 . 2]" 1
1790 1 107 ILE HA 1 122 VAL H . . 4.710 4.167 3.314 4.516 . 0 0 "[ . 1 . 2]" 1
1791 1 125 PRO HA 1 127 GLU H . . 3.990 3.433 3.223 3.658 . 0 0 "[ . 1 . 2]" 1
1792 1 126 LYS H 1 127 GLU H . . 3.340 2.546 2.098 2.757 . 0 0 "[ . 1 . 2]" 1
1793 1 126 LYS QE 1 127 GLU H . . 4.440 3.874 3.359 4.447 0.007 19 0 "[ . 1 . 2]" 1
1794 1 125 PRO HB2 1 127 GLU H . . 3.990 3.572 2.946 3.991 0.001 12 0 "[ . 1 . 2]" 1
1795 1 127 GLU H 1 127 GLU QG . . 3.220 2.183 2.022 2.969 . 0 0 "[ . 1 . 2]" 1
1796 1 126 LYS QD 1 127 GLU H . . 3.210 2.300 1.938 2.740 . 0 0 "[ . 1 . 2]" 1
1797 1 21 ARG HB2 1 23 SER H . . 3.770 2.572 2.522 2.609 . 0 0 "[ . 1 . 2]" 1
1798 1 17 LEU HB3 1 23 SER H . . 5.500 4.991 4.871 5.083 . 0 0 "[ . 1 . 2]" 1
1799 1 12 LEU H 1 13 MET H . . 4.480 4.282 4.057 4.511 0.031 2 0 "[ . 1 . 2]" 1
1800 1 15 LYS H 1 107 ILE HB . . 4.130 3.485 3.168 3.654 . 0 0 "[ . 1 . 2]" 1
1801 1 15 LYS H 1 15 LYS HB3 . . 3.810 2.687 2.602 2.755 . 0 0 "[ . 1 . 2]" 1
1802 1 15 LYS H 1 15 LYS HB2 . . 3.930 2.720 2.563 2.934 . 0 0 "[ . 1 . 2]" 1
1803 1 15 LYS H 1 15 LYS QG . . 4.100 4.102 4.069 4.129 0.029 12 0 "[ . 1 . 2]" 1
1804 1 15 LYS H 1 108 ALA HA . . 3.740 3.530 3.248 3.673 . 0 0 "[ . 1 . 2]" 1
1805 1 14 VAL HA 1 15 LYS H . . 3.330 2.143 2.138 2.148 . 0 0 "[ . 1 . 2]" 1
1806 1 34 ARG HD2 1 34 ARG QH1 . . 3.930 2.381 1.952 3.396 . 0 0 "[ . 1 . 2]" 1
1807 1 34 ARG HD3 1 34 ARG QH1 . . 3.930 2.666 1.940 3.427 . 0 0 "[ . 1 . 2]" 1
1808 1 2 PRO QD 1 3 THR H . . 4.050 2.654 2.601 2.688 . 0 0 "[ . 1 . 2]" 1
1809 1 3 THR HA 1 4 GLY H . . 3.060 2.446 2.147 3.459 0.399 20 0 "[ . 1 . 2]" 1
1810 1 5 THR HA 1 6 GLY H . . 3.060 2.379 2.154 2.975 . 0 0 "[ . 1 . 2]" 1
1811 1 3 THR HB 1 4 GLY H . . 3.650 2.642 1.951 3.787 0.137 20 0 "[ . 1 . 2]" 1
1812 1 4 GLY QA 1 5 THR H . . 2.830 2.238 2.109 2.506 . 0 0 "[ . 1 . 2]" 1
1813 1 7 GLU QG 1 8 SER H . . 3.890 3.328 2.171 3.861 . 0 0 "[ . 1 . 2]" 1
1814 1 7 GLU HB2 1 8 SER H . . 4.320 2.894 1.953 4.293 . 0 0 "[ . 1 . 2]" 1
1815 1 7 GLU HB3 1 8 SER H . . 4.320 3.686 2.172 4.247 . 0 0 "[ . 1 . 2]" 1
1816 1 10 CYS QB 1 12 LEU H . . 4.800 2.571 2.191 3.798 . 0 0 "[ . 1 . 2]" 1
1817 1 16 VAL HB 1 17 LEU H . . 4.620 4.398 4.379 4.419 . 0 0 "[ . 1 . 2]" 1
1818 1 17 LEU H 1 17 LEU HB2 . . 3.930 2.341 2.328 2.356 . 0 0 "[ . 1 . 2]" 1
1819 1 17 LEU H 1 109 ALA MB . . 4.080 3.804 3.400 4.015 . 0 0 "[ . 1 . 2]" 1
1820 1 16 VAL HA 1 17 LEU H . . 3.400 2.180 2.178 2.181 . 0 0 "[ . 1 . 2]" 1
1821 1 17 LEU HB2 1 18 ASP H . . 4.220 4.072 4.047 4.085 . 0 0 "[ . 1 . 2]" 1
1822 1 17 LEU HG 1 18 ASP H . . 4.660 3.365 3.192 3.637 . 0 0 "[ . 1 . 2]" 1
1823 1 17 LEU HB3 1 18 ASP H . . 3.620 2.800 2.744 2.830 . 0 0 "[ . 1 . 2]" 1
1824 1 18 ASP H 1 25 ALA MB . . 4.690 4.422 4.358 4.462 . 0 0 "[ . 1 . 2]" 1
1825 1 18 ASP H 1 24 PRO HD3 . . 5.400 5.196 5.154 5.268 . 0 0 "[ . 1 . 2]" 1
1826 1 18 ASP H 1 22 GLY HA2 . . 5.020 4.505 4.430 4.581 . 0 0 "[ . 1 . 2]" 1
1827 1 18 ASP H 1 24 PRO HA . . 3.800 3.343 3.303 3.407 . 0 0 "[ . 1 . 2]" 1
1828 1 17 LEU HA 1 18 ASP H . . 3.040 2.341 2.337 2.345 . 0 0 "[ . 1 . 2]" 1
1829 1 16 VAL MG2 1 25 ALA H . . 5.500 5.165 5.136 5.207 . 0 0 "[ . 1 . 2]" 1
1830 1 25 ALA H 1 28 VAL MG1 . . 5.500 5.486 5.391 5.517 0.017 4 0 "[ . 1 . 2]" 1
1831 1 27 ASN HD21 1 48 LYS QB . . 4.190 4.055 4.032 4.092 . 0 0 "[ . 1 . 2]" 1
1832 1 26 ILE MG 1 27 ASN HD21 . . 3.770 1.819 1.817 1.820 . 0 0 "[ . 1 . 2]" 1
1833 1 26 ILE HB 1 27 ASN HD21 . . 4.790 4.252 4.249 4.255 . 0 0 "[ . 1 . 2]" 1
1834 1 27 ASN HA 1 27 ASN HD21 . . 4.380 2.413 2.406 2.420 . 0 0 "[ . 1 . 2]" 1
1835 1 34 ARG QH1 1 65 VAL HB . . 5.390 4.729 3.829 5.392 0.002 11 0 "[ . 1 . 2]" 1
1836 1 34 ARG HB2 1 34 ARG QH1 . . 4.400 3.686 1.996 4.403 0.003 14 0 "[ . 1 . 2]" 1
1837 1 34 ARG QG 1 34 ARG QH1 . . 3.930 2.864 1.919 3.846 . 0 0 "[ . 1 . 2]" 1
1838 1 34 ARG HB3 1 34 ARG QH1 . . 4.400 3.881 3.005 4.406 0.006 12 0 "[ . 1 . 2]" 1
1839 1 34 ARG QH1 1 65 VAL MG2 . . 4.090 2.604 1.928 3.352 . 0 0 "[ . 1 . 2]" 1
1840 1 41 TRP HZ2 1 94 VAL HB . . 5.110 5.089 4.913 5.117 0.007 19 0 "[ . 1 . 2]" 1
1841 1 35 LYS HB2 1 41 TRP HZ2 . . 4.570 4.476 4.396 4.562 . 0 0 "[ . 1 . 2]" 1
1842 1 41 TRP HZ2 1 94 VAL MG1 . . 3.510 2.922 2.789 3.164 . 0 0 "[ . 1 . 2]" 1
1843 1 41 TRP HZ2 1 94 VAL MG2 . . 3.270 2.833 2.627 3.009 . 0 0 "[ . 1 . 2]" 1
1844 1 41 TRP H 1 41 TRP HD1 . . 3.520 3.277 3.082 3.563 0.043 9 0 "[ . 1 . 2]" 1
1845 1 40 THR HA 1 41 TRP HD1 . . 4.150 3.854 3.786 4.106 . 0 0 "[ . 1 . 2]" 1
1846 1 41 TRP HB2 1 41 TRP HD1 . . 3.380 2.590 2.563 2.597 . 0 0 "[ . 1 . 2]" 1
1847 1 41 TRP HD1 1 70 LYS HD3 . . 4.380 3.758 3.554 3.943 . 0 0 "[ . 1 . 2]" 1
1848 1 79 TRP HH2 1 113 PRO HD2 . . 5.140 3.426 3.285 3.531 . 0 0 "[ . 1 . 2]" 1
1849 1 79 TRP HH2 1 113 PRO HD3 . . 5.140 3.051 2.330 3.304 . 0 0 "[ . 1 . 2]" 1
1850 1 21 ARG QD 1 79 TRP HH2 . . 4.490 4.508 4.492 4.528 0.038 18 0 "[ . 1 . 2]" 1
1851 1 21 ARG HG3 1 79 TRP HH2 . . 4.500 4.031 3.850 4.255 . 0 0 "[ . 1 . 2]" 1
1852 1 79 TRP HH2 1 84 ILE HG12 . . 4.980 4.794 4.517 4.979 . 0 0 "[ . 1 . 2]" 1
1853 1 41 TRP HZ3 1 68 ILE HB . . 4.360 2.993 2.860 3.131 . 0 0 "[ . 1 . 2]" 1
1854 1 79 TRP HZ2 1 112 SER HA . . 4.140 3.961 3.779 4.199 0.059 16 0 "[ . 1 . 2]" 1
1855 1 79 TRP HZ2 1 113 PRO HA . . 5.270 5.163 4.324 5.298 0.028 13 0 "[ . 1 . 2]" 1
1856 1 79 TRP HZ2 1 111 LEU HB2 . . 3.820 3.668 3.544 3.697 . 0 0 "[ . 1 . 2]" 1
1857 1 79 TRP HZ2 1 111 LEU HB3 . . 3.820 1.984 1.965 1.995 . 0 0 "[ . 1 . 2]" 1
1858 1 20 VAL MG2 1 79 TRP HZ2 . . 4.740 4.450 4.241 4.707 . 0 0 "[ . 1 . 2]" 1
1859 1 79 TRP HZ2 1 111 LEU MD1 . . 4.910 4.553 4.504 4.608 . 0 0 "[ . 1 . 2]" 1
1860 1 79 TRP HZ2 1 111 LEU MD2 . . 4.100 3.239 3.129 3.347 . 0 0 "[ . 1 . 2]" 1
1861 1 79 TRP H 1 79 TRP HD1 . . 4.300 3.533 3.509 3.557 . 0 0 "[ . 1 . 2]" 1
1862 1 76 LYS QB 1 79 TRP HD1 . . 3.940 3.841 3.558 3.958 0.018 11 0 "[ . 1 . 2]" 1
1863 1 75 THR MG 1 79 TRP HD1 . . 4.490 4.393 4.321 4.506 0.016 7 0 "[ . 1 . 2]" 1
1864 1 75 THR HB 1 79 TRP HD1 . . 3.840 3.317 3.214 3.405 . 0 0 "[ . 1 . 2]" 1
1865 1 79 TRP HA 1 79 TRP HD1 . . 4.850 4.647 4.610 4.666 . 0 0 "[ . 1 . 2]" 1
1866 1 76 LYS HA 1 79 TRP HD1 . . 4.090 2.326 2.061 2.432 . 0 0 "[ . 1 . 2]" 1
1867 1 32 VAL HA 1 33 PHE QD . . 4.230 3.186 3.123 3.249 . 0 0 "[ . 1 . 2]" 1
1868 1 33 PHE QD 1 43 PRO HD2 . . 4.560 4.466 4.447 4.493 . 0 0 "[ . 1 . 2]" 1
1869 1 33 PHE QD 1 41 TRP HB2 . . 4.110 3.945 3.901 4.012 . 0 0 "[ . 1 . 2]" 1
1870 1 33 PHE QD 1 42 GLU HB3 . . 5.180 4.852 4.835 4.868 . 0 0 "[ . 1 . 2]" 1
1871 1 33 PHE QD 1 43 PRO HB3 . . 4.330 3.941 3.873 3.959 . 0 0 "[ . 1 . 2]" 1
1872 1 33 PHE QD 1 72 GLU HB2 . . 4.850 4.320 3.672 4.686 . 0 0 "[ . 1 . 2]" 1
1873 1 32 VAL HB 1 44 PHE QR . . 3.830 2.623 2.436 2.857 . 0 0 "[ . 1 . 2]" 1
1874 1 44 PHE QR 1 63 GLU QG . . 4.340 2.510 2.047 3.174 . 0 0 "[ . 1 . 2]" 1
1875 1 44 PHE QR 1 65 VAL MG2 . . 4.750 3.407 3.009 3.812 . 0 0 "[ . 1 . 2]" 1
1876 1 44 PHE QR 1 58 LEU MD1 . . 4.830 3.871 3.664 4.052 . 0 0 "[ . 1 . 2]" 1
1877 1 44 PHE QR 1 64 PHE QB . . 4.360 3.707 3.396 3.947 . 0 0 "[ . 1 . 2]" 1
1878 1 44 PHE QR 1 59 THR MG . . 4.150 2.593 2.388 3.010 . 0 0 "[ . 1 . 2]" 1
1879 1 44 PHE QR 1 58 LEU MD2 . . 4.830 4.713 4.505 4.888 0.058 5 0 "[ . 1 . 2]" 1
1880 1 44 PHE QR 1 64 PHE H . . 5.130 4.406 3.931 4.821 . 0 0 "[ . 1 . 2]" 1
1881 1 34 ARG H 1 44 PHE QR . . 4.960 4.949 4.790 4.993 0.033 10 0 "[ . 1 . 2]" 1
1882 1 55 LEU H 1 56 HIS HD2 . . 4.010 3.845 3.025 4.014 0.004 17 0 "[ . 1 . 2]" 1
1883 1 64 PHE HA 1 64 PHE QD . . 4.040 3.017 2.848 3.106 . 0 0 "[ . 1 . 2]" 1
1884 1 69 TYR H 1 69 TYR QD . . 3.780 2.993 2.877 3.168 . 0 0 "[ . 1 . 2]" 1
1885 1 34 ARG HA 1 69 TYR QD . . 4.380 2.927 2.678 3.223 . 0 0 "[ . 1 . 2]" 1
1886 1 32 VAL MG1 1 69 TYR QD . . 3.530 2.667 2.385 2.892 . 0 0 "[ . 1 . 2]" 1
1887 1 69 TYR QD 1 97 ALA MB . . 3.680 3.383 2.837 3.681 0.001 2 0 "[ . 1 . 2]" 1
1888 1 90 HIS HD2 1 91 ALA H . . 4.680 4.093 3.954 4.307 . 0 0 "[ . 1 . 2]" 1
1889 1 90 HIS HD2 1 92 GLU H . . 4.890 3.806 3.717 3.884 . 0 0 "[ . 1 . 2]" 1
1890 1 90 HIS H 1 90 HIS HD2 . . 4.310 3.314 3.113 3.553 . 0 0 "[ . 1 . 2]" 1
1891 1 90 HIS HD2 1 92 GLU HB3 . . 5.120 4.955 4.658 5.118 . 0 0 "[ . 1 . 2]" 1
1892 1 90 HIS HD2 1 91 ALA MB . . 5.480 4.987 4.895 5.125 . 0 0 "[ . 1 . 2]" 1
1893 1 90 HIS HA 1 90 HIS HD2 . . 4.450 4.329 4.244 4.423 . 0 0 "[ . 1 . 2]" 1
1894 1 71 VAL MG2 1 95 PHE QD . . 3.740 2.872 2.744 3.018 . 0 0 "[ . 1 . 2]" 1
1895 1 95 PHE QD 1 121 VAL MG2 . . 3.700 2.912 2.368 3.390 . 0 0 "[ . 1 . 2]" 1
1896 1 70 LYS HA 1 95 PHE QD . . 4.210 3.455 3.196 3.583 . 0 0 "[ . 1 . 2]" 1
1897 1 95 PHE H 1 95 PHE QD . . 3.740 2.503 2.412 2.578 . 0 0 "[ . 1 . 2]" 1
1898 1 93 VAL MG2 1 95 PHE QE . . 3.920 3.836 3.727 3.920 . 2 0 "[ . 1 . 2]" 1
1899 1 95 PHE QE 1 107 ILE MG . . 3.800 2.726 2.146 3.197 . 0 0 "[ . 1 . 2]" 1
1900 1 70 LYS HA 1 95 PHE QE . . 4.780 4.316 4.106 4.475 . 0 0 "[ . 1 . 2]" 1
1901 1 94 VAL HA 1 95 PHE QE . . 5.300 4.353 4.286 4.426 . 0 0 "[ . 1 . 2]" 1
1902 1 71 VAL HA 1 95 PHE QE . . 4.770 4.712 4.575 4.772 0.002 5 0 "[ . 1 . 2]" 1
1903 1 71 VAL HB 1 95 PHE QD . . 4.610 3.954 3.725 4.185 . 0 0 "[ . 1 . 2]" 1
1904 1 95 PHE QD 1 121 VAL HB . . 5.140 4.719 4.345 5.142 0.002 19 0 "[ . 1 . 2]" 1
1905 1 114 TYR HA 1 114 TYR QD . . 3.010 2.820 2.362 2.990 . 0 0 "[ . 1 . 2]" 1
1906 1 114 TYR H 1 114 TYR QD . . 3.620 2.465 2.206 3.243 . 0 0 "[ . 1 . 2]" 1
1907 1 20 VAL MG2 1 114 TYR QD . . 3.620 2.148 1.954 2.398 . 0 0 "[ . 1 . 2]" 1
1908 1 113 PRO HB2 1 114 TYR QD . . 4.550 4.262 3.558 4.498 . 0 0 "[ . 1 . 2]" 1
1909 1 20 VAL MG1 1 114 TYR QE . . 3.430 2.709 1.946 3.265 . 0 0 "[ . 1 . 2]" 1
1910 1 84 ILE MD 1 114 TYR QE . . 4.770 4.782 4.696 4.816 0.046 16 0 "[ . 1 . 2]" 1
1911 1 84 ILE MG 1 114 TYR QE . . 3.660 3.294 3.047 3.660 . 0 0 "[ . 1 . 2]" 1
1912 1 116 TYR H 1 116 TYR QD . . 3.930 2.197 1.947 3.924 . 0 0 "[ . 1 . 2]" 1
1913 1 116 TYR HA 1 116 TYR QD . . 3.910 3.694 2.911 3.741 . 0 0 "[ . 1 . 2]" 1
1914 1 116 TYR QD 1 118 THR MG . . 4.480 3.824 3.464 4.558 0.078 19 0 "[ . 1 . 2]" 1
1915 1 116 TYR QE 1 118 THR MG . . 3.890 2.861 2.176 3.784 . 0 0 "[ . 1 . 2]" 1
1916 1 41 TRP HE3 1 69 TYR HA . . 4.090 3.480 3.343 3.635 . 0 0 "[ . 1 . 2]" 1
1917 1 41 TRP HA 1 41 TRP HE3 . . 3.610 2.737 2.516 2.785 . 0 0 "[ . 1 . 2]" 1
1918 1 35 LYS HA 1 41 TRP HE3 . . 4.020 2.937 2.755 3.074 . 0 0 "[ . 1 . 2]" 1
1919 1 33 PHE HB3 1 41 TRP HE3 . . 3.990 3.478 3.349 3.529 . 0 0 "[ . 1 . 2]" 1
1920 1 41 TRP HB3 1 41 TRP HE3 . . 3.790 2.727 2.705 2.830 . 0 0 "[ . 1 . 2]" 1
1921 1 35 LYS HB2 1 41 TRP HE3 . . 4.110 3.634 3.513 3.745 . 0 0 "[ . 1 . 2]" 1
1922 1 35 LYS HB3 1 41 TRP HE3 . . 4.650 4.652 4.622 4.669 0.019 4 0 "[ . 1 . 2]" 1
1923 1 93 VAL MG1 1 95 PHE HZ . . 4.170 2.559 2.405 2.662 . 0 0 "[ . 1 . 2]" 1
1924 1 93 VAL MG2 1 95 PHE HZ . . 4.360 3.416 3.216 3.552 . 0 0 "[ . 1 . 2]" 1
1925 1 95 PHE HZ 1 107 ILE MG . . 4.020 2.981 2.304 3.431 . 0 0 "[ . 1 . 2]" 1
1926 1 95 PHE HZ 1 121 VAL MG2 . . 4.530 3.825 3.220 4.355 . 0 0 "[ . 1 . 2]" 1
1927 1 59 THR MG 1 64 PHE QD . . 4.510 4.281 3.952 4.495 . 0 0 "[ . 1 . 2]" 1
1928 1 31 HIS HB3 1 31 HIS HD2 . . 3.650 3.239 3.218 3.265 . 0 0 "[ . 1 . 2]" 1
1929 1 29 ALA MB 1 31 HIS HD2 . . 4.180 4.190 4.185 4.198 0.018 11 0 "[ . 1 . 2]" 1
1930 1 31 HIS HD2 1 46 SER HB2 . . 3.530 2.721 2.610 2.797 . 0 0 "[ . 1 . 2]" 1
1931 1 31 HIS HD2 1 46 SER HB3 . . 4.350 4.046 3.941 4.149 . 0 0 "[ . 1 . 2]" 1
1932 1 31 HIS HA 1 31 HIS HD2 . . 3.680 2.771 2.736 2.811 . 0 0 "[ . 1 . 2]" 1
1933 1 31 HIS HD2 1 47 GLY H . . 4.040 3.432 3.343 3.538 . 0 0 "[ . 1 . 2]" 1
1934 1 31 HIS HD2 1 32 VAL H . . 5.270 4.816 4.791 4.858 . 0 0 "[ . 1 . 2]" 1
1935 1 31 HIS H 1 31 HIS HD2 . . 4.090 3.978 3.934 4.043 . 0 0 "[ . 1 . 2]" 1
1936 1 95 PHE HA 1 95 PHE QD . . 3.930 3.071 3.062 3.086 . 0 0 "[ . 1 . 2]" 1
1937 1 1 GLY QA 1 2 PRO HG2 . . 4.330 4.047 4.006 4.065 . 0 0 "[ . 1 . 2]" 1
1938 1 5 THR MG 1 6 GLY QA . . 5.030 4.243 3.562 5.023 . 0 0 "[ . 1 . 2]" 1
1939 1 6 GLY QA 1 7 GLU H . . 2.620 2.237 2.111 2.609 . 0 0 "[ . 1 . 2]" 1
1940 1 6 GLY QA 1 7 GLU QB . . 4.450 4.104 3.852 4.441 . 0 0 "[ . 1 . 2]" 1
1941 1 7 GLU H 1 7 GLU QB . . 2.780 2.548 2.043 2.781 0.001 14 0 "[ . 1 . 2]" 1
1942 1 7 GLU HA 1 7 GLU QB . . 2.590 2.249 2.174 2.538 . 0 0 "[ . 1 . 2]" 1
1943 1 7 GLU QB 1 8 SER H . . 3.450 2.605 1.943 3.146 . 0 0 "[ . 1 . 2]" 1
1944 1 7 GLU QB 1 8 SER HA . . 4.890 4.310 3.856 4.795 . 0 0 "[ . 1 . 2]" 1
1945 1 9 LYS H 1 9 LYS QG . . 4.640 3.226 2.213 4.128 . 0 0 "[ . 1 . 2]" 1
1946 1 9 LYS HA 1 9 LYS QG . . 2.820 2.448 2.169 2.713 . 0 0 "[ . 1 . 2]" 1
1947 1 9 LYS QB 1 9 LYS QG . . 2.260 2.058 2.018 2.088 . 0 0 "[ . 1 . 2]" 1
1948 1 9 LYS QB 1 9 LYS QE . . 3.420 2.382 1.951 3.374 . 0 0 "[ . 1 . 2]" 1
1949 1 9 LYS QD 1 9 LYS QG . . 2.300 2.027 2.012 2.069 . 0 0 "[ . 1 . 2]" 1
1950 1 9 LYS QE 1 9 LYS QG . . 2.950 2.280 2.036 2.564 . 0 0 "[ . 1 . 2]" 1
1951 1 10 CYS QB 1 57 GLY QA . . 4.520 4.213 3.196 4.540 0.020 2 0 "[ . 1 . 2]" 1
1952 1 11 PRO QB 1 12 LEU H . . 4.010 3.232 2.947 3.469 . 0 0 "[ . 1 . 2]" 1
1953 1 12 LEU H 1 12 LEU QD . . 4.000 3.738 1.903 4.002 0.002 8 0 "[ . 1 . 2]" 1
1954 1 12 LEU HA 1 12 LEU QD . . 3.160 2.514 2.014 3.306 0.146 15 0 "[ . 1 . 2]" 1
1955 1 12 LEU HA 1 105 TYR QB . . 5.340 4.647 2.912 5.358 0.018 18 0 "[ . 1 . 2]" 1
1956 1 12 LEU QD 1 13 MET H . . 3.870 2.827 2.136 3.836 . 0 0 "[ . 1 . 2]" 1
1957 1 12 LEU QD 1 13 MET QB . . 5.370 4.274 3.607 5.113 . 0 0 "[ . 1 . 2]" 1
1958 1 12 LEU QD 1 32 VAL MG1 . . 3.880 3.233 2.416 3.884 0.004 5 0 "[ . 1 . 2]" 1
1959 1 12 LEU QD 1 44 PHE QR . . 5.040 4.002 2.774 5.137 0.097 16 0 "[ . 1 . 2]" 1
1960 1 12 LEU QD 1 105 TYR QB . . 5.280 4.350 2.465 5.282 0.002 9 0 "[ . 1 . 2]" 1
1961 1 13 MET H 1 13 MET QG . . 4.960 4.115 4.011 4.219 . 0 0 "[ . 1 . 2]" 1
1962 1 13 MET HA 1 13 MET QG . . 3.400 2.310 2.083 2.381 . 0 0 "[ . 1 . 2]" 1
1963 1 13 MET ME 1 13 MET QG . . 2.730 2.062 1.961 2.179 . 0 0 "[ . 1 . 2]" 1
1964 1 13 MET QG 1 14 VAL H . . 4.590 2.912 2.048 3.603 . 0 0 "[ . 1 . 2]" 1
1965 1 13 MET QG 1 15 LYS HB2 . . 5.250 4.738 4.202 5.256 0.006 16 0 "[ . 1 . 2]" 1
1966 1 13 MET QG 1 15 LYS QE . . 4.750 4.667 4.536 4.751 0.001 11 0 "[ . 1 . 2]" 1
1967 1 13 MET QG 1 55 LEU H . . 4.920 3.405 2.801 4.015 . 0 0 "[ . 1 . 2]" 1
1968 1 13 MET QG 1 56 HIS HD2 . . 3.850 3.573 2.263 3.855 0.005 1 0 "[ . 1 . 2]" 1
1969 1 13 MET QG 1 106 THR HB . . 5.340 5.282 4.885 5.359 0.019 5 0 "[ . 1 . 2]" 1
1970 1 13 MET QG 1 106 THR MG . . 3.460 3.106 2.958 3.483 0.023 12 0 "[ . 1 . 2]" 1
1971 1 15 LYS HA 1 17 LEU QD . . 4.570 4.387 4.189 4.574 0.004 5 0 "[ . 1 . 2]" 1
1972 1 15 LYS QG 1 17 LEU QD . . 3.110 1.980 1.913 2.081 . 0 0 "[ . 1 . 2]" 1
1973 1 15 LYS QD 1 17 LEU QD . . 3.540 2.940 2.538 3.205 . 0 0 "[ . 1 . 2]" 1
1974 1 16 VAL H 1 17 LEU QD . . 4.730 4.198 3.939 4.542 . 0 0 "[ . 1 . 2]" 1
1975 1 17 LEU H 1 17 LEU QD . . 3.720 3.452 3.343 3.580 . 0 0 "[ . 1 . 2]" 1
1976 1 17 LEU HA 1 17 LEU QD . . 3.140 2.872 2.829 2.896 . 0 0 "[ . 1 . 2]" 1
1977 1 17 LEU HB2 1 17 LEU QD . . 2.870 1.989 1.928 2.064 . 0 0 "[ . 1 . 2]" 1
1978 1 17 LEU QD 1 18 ASP H . . 3.500 2.917 2.591 3.101 . 0 0 "[ . 1 . 2]" 1
1979 1 17 LEU QD 1 18 ASP HB3 . . 4.790 4.723 4.488 4.809 0.019 16 0 "[ . 1 . 2]" 1
1980 1 17 LEU QD 1 22 GLY H . . 4.930 4.690 4.529 4.818 . 0 0 "[ . 1 . 2]" 1
1981 1 17 LEU QD 1 22 GLY HA2 . . 4.250 3.542 3.464 3.651 . 0 0 "[ . 1 . 2]" 1
1982 1 17 LEU QD 1 23 SER H . . 3.860 3.530 3.199 3.775 . 0 0 "[ . 1 . 2]" 1
1983 1 17 LEU QD 1 23 SER HA . . 3.680 2.744 2.425 2.993 . 0 0 "[ . 1 . 2]" 1
1984 1 17 LEU QD 1 23 SER QB . . 4.690 4.189 3.897 4.411 . 0 0 "[ . 1 . 2]" 1
1985 1 17 LEU QD 1 24 PRO HA . . 3.210 3.028 2.955 3.091 . 0 0 "[ . 1 . 2]" 1
1986 1 17 LEU QD 1 24 PRO HG3 . . 3.930 3.933 3.868 3.948 0.018 2 0 "[ . 1 . 2]" 1
1987 1 17 LEU QD 1 24 PRO HD2 . . 4.200 3.971 3.705 4.158 . 0 0 "[ . 1 . 2]" 1
1988 1 17 LEU QD 1 24 PRO HD3 . . 3.670 2.804 2.498 2.977 . 0 0 "[ . 1 . 2]" 1
1989 1 17 LEU QD 1 25 ALA H . . 4.350 4.386 4.373 4.414 0.064 19 0 "[ . 1 . 2]" 1
1990 1 17 LEU QD 1 53 GLY HA3 . . 4.610 3.586 3.310 3.978 . 0 0 "[ . 1 . 2]" 1
1991 1 17 LEU QD 1 110 MET HG2 . . 3.580 3.569 3.517 3.600 0.020 19 0 "[ . 1 . 2]" 1
1992 1 17 LEU QD 1 110 MET ME . . 3.120 2.407 2.265 2.598 . 0 0 "[ . 1 . 2]" 1
1993 1 18 ASP HA 1 111 LEU QB . . 3.840 2.203 2.132 2.295 . 0 0 "[ . 1 . 2]" 1
1994 1 19 ALA H 1 111 LEU QB . . 4.010 3.187 3.132 3.232 . 0 0 "[ . 1 . 2]" 1
1995 1 19 ALA MB 1 112 SER QB . . 3.830 1.974 1.872 2.520 . 0 0 "[ . 1 . 2]" 1
1996 1 20 VAL MG2 1 112 SER QB . . 3.840 3.296 2.959 3.721 . 0 0 "[ . 1 . 2]" 1
1997 1 20 VAL MG2 1 113 PRO QD . . 3.520 2.152 1.876 2.261 . 0 0 "[ . 1 . 2]" 1
1998 1 21 ARG HB2 1 23 SER QB . . 3.780 3.099 3.032 3.288 . 0 0 "[ . 1 . 2]" 1
1999 1 21 ARG HB3 1 23 SER QB . . 4.000 3.344 3.249 3.478 . 0 0 "[ . 1 . 2]" 1
2000 1 21 ARG HB3 1 82 LEU QD . . 4.660 4.682 4.667 4.706 0.046 20 0 "[ . 1 . 2]" 1
2001 1 21 ARG QD 1 23 SER QB . . 4.520 4.175 3.796 4.536 0.016 3 0 "[ . 1 . 2]" 1
2002 1 21 ARG QD 1 82 LEU QD . . 3.420 2.061 1.983 2.221 . 0 0 "[ . 1 . 2]" 1
2003 1 23 SER H 1 23 SER QB . . 3.250 2.570 2.510 2.620 . 0 0 "[ . 1 . 2]" 1
2004 1 23 SER QB 1 24 PRO HG2 . . 4.220 3.667 3.618 4.230 0.010 3 0 "[ . 1 . 2]" 1
2005 1 23 SER QB 1 24 PRO HG3 . . 4.740 4.531 4.496 4.748 0.008 3 0 "[ . 1 . 2]" 1
2006 1 23 SER QB 1 24 PRO HD2 . . 2.960 2.043 2.001 2.210 . 0 0 "[ . 1 . 2]" 1
2007 1 25 ALA MB 1 111 LEU QB . . 5.340 4.298 4.219 4.397 . 0 0 "[ . 1 . 2]" 1
2008 1 26 ILE H 1 26 ILE QG . . 3.570 2.879 2.873 2.885 . 0 0 "[ . 1 . 2]" 1
2009 1 26 ILE QG 1 26 ILE MG . . 3.190 2.367 2.365 2.370 . 0 0 "[ . 1 . 2]" 1
2010 1 26 ILE QG 1 27 ASN HD21 . . 4.470 4.382 4.379 4.386 . 0 0 "[ . 1 . 2]" 1
2011 1 26 ILE QG 1 27 ASN HD22 . . 5.340 5.403 5.397 5.407 0.067 3 0 "[ . 1 . 2]" 1
2012 1 26 ILE QG 1 50 SER QB . . 5.180 4.119 4.067 4.200 . 0 0 "[ . 1 . 2]" 1
2013 1 26 ILE QG 1 51 GLU HA . . 3.560 1.945 1.925 1.980 . 0 0 "[ . 1 . 2]" 1
2014 1 26 ILE QG 1 51 GLU QB . . 4.070 3.169 3.119 3.218 . 0 0 "[ . 1 . 2]" 1
2015 1 26 ILE QG 1 51 GLU QG . . 4.390 4.140 4.097 4.201 . 0 0 "[ . 1 . 2]" 1
2016 1 26 ILE QG 1 52 SER H . . 4.440 4.287 4.270 4.333 . 0 0 "[ . 1 . 2]" 1
2017 1 28 VAL HA 1 74 ASP QB . . 5.340 4.488 4.207 4.996 . 0 0 "[ . 1 . 2]" 1
2018 1 29 ALA H 1 74 ASP QB . . 4.390 3.228 2.933 3.675 . 0 0 "[ . 1 . 2]" 1
2019 1 29 ALA HA 1 74 ASP QB . . 5.340 4.241 4.037 4.437 . 0 0 "[ . 1 . 2]" 1
2020 1 29 ALA MB 1 74 ASP QB . . 3.460 1.921 1.883 2.013 . 0 0 "[ . 1 . 2]" 1
2021 1 30 VAL HA 1 74 ASP QB . . 5.340 4.516 4.255 4.771 . 0 0 "[ . 1 . 2]" 1
2022 1 30 VAL MG2 1 55 LEU QB . . 4.350 3.760 3.643 3.989 . 0 0 "[ . 1 . 2]" 1
2023 1 31 HIS HA 1 55 LEU QD . . 5.440 5.023 4.822 5.217 . 0 0 "[ . 1 . 2]" 1
2024 1 31 HIS HA 1 58 LEU QD . . 4.890 3.988 3.906 4.077 . 0 0 "[ . 1 . 2]" 1
2025 1 32 VAL H 1 58 LEU QD . . 5.440 3.987 3.923 4.057 . 0 0 "[ . 1 . 2]" 1
2026 1 32 VAL HB 1 58 LEU QD . . 4.090 3.259 2.987 3.400 . 0 0 "[ . 1 . 2]" 1
2027 1 32 VAL MG2 1 58 LEU QD . . 2.470 1.908 1.815 1.997 . 0 0 "[ . 1 . 2]" 1
2028 1 33 PHE HA 1 34 ARG QB . . 4.700 4.016 3.956 4.080 . 0 0 "[ . 1 . 2]" 1
2029 1 33 PHE HB2 1 70 LYS QE . . 4.430 2.753 1.979 2.996 . 0 0 "[ . 1 . 2]" 1
2030 1 33 PHE QD 1 70 LYS QE . . 3.950 3.049 2.136 3.234 . 0 0 "[ . 1 . 2]" 1
2031 1 33 PHE QE 1 70 LYS QE . . 5.040 4.139 3.384 4.248 . 0 0 "[ . 1 . 2]" 1
2032 1 33 PHE QE 1 72 GLU QG . . 5.020 3.854 3.313 4.938 . 0 0 "[ . 1 . 2]" 1
2033 1 34 ARG H 1 34 ARG QB . . 3.370 2.625 2.439 2.839 . 0 0 "[ . 1 . 2]" 1
2034 1 34 ARG H 1 34 ARG QD . . 4.870 4.317 3.699 4.838 . 0 0 "[ . 1 . 2]" 1
2035 1 34 ARG HA 1 34 ARG QD . . 4.870 4.126 3.903 4.267 . 0 0 "[ . 1 . 2]" 1
2036 1 34 ARG QB 1 34 ARG QH1 . . 3.740 3.252 1.969 3.742 0.002 4 0 "[ . 1 . 2]" 1
2037 1 34 ARG QB 1 35 LYS H . . 3.920 3.229 2.823 3.661 . 0 0 "[ . 1 . 2]" 1
2038 1 34 ARG QB 1 42 GLU H . . 4.680 4.070 3.691 4.504 . 0 0 "[ . 1 . 2]" 1
2039 1 34 ARG QB 1 44 PHE H . . 5.340 4.900 4.778 5.048 . 0 0 "[ . 1 . 2]" 1
2040 1 34 ARG QB 1 44 PHE HB2 . . 4.390 2.589 2.459 2.717 . 0 0 "[ . 1 . 2]" 1
2041 1 34 ARG QB 1 44 PHE QR . . 4.730 3.255 3.092 3.450 . 0 0 "[ . 1 . 2]" 1
2042 1 34 ARG QB 1 65 VAL MG2 . . 4.760 4.121 3.573 4.755 . 0 0 "[ . 1 . 2]" 1
2043 1 34 ARG QB 1 69 TYR HA . . 4.750 3.953 3.692 4.150 . 0 0 "[ . 1 . 2]" 1
2044 1 34 ARG QB 1 69 TYR QD . . 3.970 2.751 2.487 3.089 . 0 0 "[ . 1 . 2]" 1
2045 1 34 ARG QD 1 34 ARG QH1 . . 3.420 1.952 1.885 2.080 . 0 0 "[ . 1 . 2]" 1
2046 1 34 ARG QD 1 44 PHE QR . . 3.950 3.009 2.412 3.546 . 0 0 "[ . 1 . 2]" 1
2047 1 34 ARG QD 1 65 VAL MG2 . . 3.720 2.736 1.989 3.139 . 0 0 "[ . 1 . 2]" 1
2048 1 34 ARG QD 1 69 TYR QD . . 5.190 4.367 3.916 4.803 . 0 0 "[ . 1 . 2]" 1
2049 1 36 ALA MB 1 38 ASP QB . . 4.090 3.163 3.136 3.191 . 0 0 "[ . 1 . 2]" 1
2050 1 37 ALA H 1 38 ASP QB . . 4.230 4.079 4.025 4.129 . 0 0 "[ . 1 . 2]" 1
2051 1 37 ALA HA 1 38 ASP QB . . 5.320 5.050 5.033 5.096 . 0 0 "[ . 1 . 2]" 1
2052 1 37 ALA MB 1 38 ASP QB . . 4.070 3.891 3.807 3.993 . 0 0 "[ . 1 . 2]" 1
2053 1 38 ASP HA 1 38 ASP QB . . 2.630 2.481 2.451 2.540 . 0 0 "[ . 1 . 2]" 1
2054 1 38 ASP QB 1 39 ASP H . . 3.770 3.755 3.714 3.777 0.007 4 0 "[ . 1 . 2]" 1
2055 1 38 ASP QB 1 39 ASP HA . . 5.340 5.200 5.161 5.235 . 0 0 "[ . 1 . 2]" 1
2056 1 38 ASP QB 1 40 THR H . . 4.020 3.357 3.279 3.485 . 0 0 "[ . 1 . 2]" 1
2057 1 38 ASP QB 1 40 THR MG . . 3.700 2.046 1.955 2.173 . 0 0 "[ . 1 . 2]" 1
2058 1 41 TRP HB3 1 70 LYS QE . . 5.340 3.535 3.297 3.814 . 0 0 "[ . 1 . 2]" 1
2059 1 41 TRP HD1 1 70 LYS QE . . 4.900 4.594 4.371 4.709 . 0 0 "[ . 1 . 2]" 1
2060 1 41 TRP HE1 1 70 LYS QE . . 5.340 5.321 5.170 5.417 0.077 9 0 "[ . 1 . 2]" 1
2061 1 44 PHE QR 1 58 LEU QD . . 4.090 3.700 3.524 3.867 . 0 0 "[ . 1 . 2]" 1
2062 1 45 ALA H 1 58 LEU QD . . 4.540 4.247 4.103 4.310 . 0 0 "[ . 1 . 2]" 1
2063 1 45 ALA HA 1 58 LEU QD . . 3.960 3.454 3.340 3.544 . 0 0 "[ . 1 . 2]" 1
2064 1 45 ALA MB 1 58 LEU QD . . 2.960 1.839 1.751 1.894 . 0 0 "[ . 1 . 2]" 1
2065 1 46 SER H 1 58 LEU QD . . 3.090 1.915 1.868 1.961 . 0 0 "[ . 1 . 2]" 1
2066 1 46 SER HA 1 58 LEU QD . . 3.570 2.489 2.391 2.578 . 0 0 "[ . 1 . 2]" 1
2067 1 46 SER HB2 1 58 LEU QD . . 4.510 4.180 4.134 4.243 . 0 0 "[ . 1 . 2]" 1
2068 1 46 SER HB3 1 58 LEU QD . . 4.300 4.051 3.994 4.112 . 0 0 "[ . 1 . 2]" 1
2069 1 47 GLY H 1 55 LEU QD . . 3.630 3.016 2.879 3.150 . 0 0 "[ . 1 . 2]" 1
2070 1 47 GLY H 1 58 LEU QD . . 3.450 3.138 3.101 3.197 . 0 0 "[ . 1 . 2]" 1
2071 1 47 GLY HA2 1 55 LEU QD . . 3.510 3.239 3.018 3.429 . 0 0 "[ . 1 . 2]" 1
2072 1 47 GLY HA3 1 55 LEU QD . . 3.140 2.099 1.877 2.319 . 0 0 "[ . 1 . 2]" 1
2073 1 48 LYS H 1 55 LEU QD . . 2.860 2.421 2.237 2.568 . 0 0 "[ . 1 . 2]" 1
2074 1 48 LYS HA 1 55 LEU QD . . 4.850 2.793 2.690 2.965 . 0 0 "[ . 1 . 2]" 1
2075 1 49 THR H 1 55 LEU QD . . 4.820 3.604 3.439 3.729 . 0 0 "[ . 1 . 2]" 1
2076 1 49 THR HA 1 55 LEU QB . . 3.860 2.548 2.388 2.834 . 0 0 "[ . 1 . 2]" 1
2077 1 49 THR HA 1 55 LEU QD . . 4.260 3.064 2.858 3.223 . 0 0 "[ . 1 . 2]" 1
2078 1 50 SER H 1 50 SER QB . . 3.660 2.784 2.691 2.914 . 0 0 "[ . 1 . 2]" 1
2079 1 50 SER QB 1 51 GLU H . . 2.910 1.990 1.910 2.075 . 0 0 "[ . 1 . 2]" 1
2080 1 50 SER QB 1 51 GLU QB . . 4.570 4.112 4.071 4.195 . 0 0 "[ . 1 . 2]" 1
2081 1 50 SER QB 1 51 GLU QG . . 3.360 2.817 2.786 2.920 . 0 0 "[ . 1 . 2]" 1
2082 1 50 SER QB 1 52 SER H . . 3.500 2.471 2.277 3.220 . 0 0 "[ . 1 . 2]" 1
2083 1 54 GLU H 1 54 GLU QB . . 3.370 2.620 2.262 2.833 . 0 0 "[ . 1 . 2]" 1
2084 1 54 GLU HA 1 55 LEU QB . . 4.910 3.958 3.933 3.978 . 0 0 "[ . 1 . 2]" 1
2085 1 54 GLU QB 1 55 LEU H . . 3.760 2.963 2.749 3.551 . 0 0 "[ . 1 . 2]" 1
2086 1 54 GLU QB 1 56 HIS HD2 . . 4.210 3.067 2.461 4.221 0.011 10 0 "[ . 1 . 2]" 1
2087 1 55 LEU H 1 55 LEU QB . . 3.570 2.521 2.483 2.558 . 0 0 "[ . 1 . 2]" 1
2088 1 55 LEU H 1 55 LEU QD . . 4.630 3.932 3.920 3.942 . 0 0 "[ . 1 . 2]" 1
2089 1 55 LEU QD 1 56 HIS HA . . 5.440 3.865 3.683 4.079 . 0 0 "[ . 1 . 2]" 1
2090 1 55 LEU QD 1 56 HIS QB . . 5.280 4.571 4.341 4.756 . 0 0 "[ . 1 . 2]" 1
2091 1 56 HIS QB 1 56 HIS HD2 . . 3.390 2.849 2.729 3.193 . 0 0 "[ . 1 . 2]" 1
2092 1 58 LEU H 1 58 LEU QD . . 3.670 3.435 3.311 3.587 . 0 0 "[ . 1 . 2]" 1
2093 1 58 LEU HA 1 58 LEU QD . . 2.800 2.077 1.948 2.222 . 0 0 "[ . 1 . 2]" 1
2094 1 58 LEU HB2 1 58 LEU QD . . 2.840 2.271 2.152 2.324 . 0 0 "[ . 1 . 2]" 1
2095 1 58 LEU HB3 1 58 LEU QD . . 2.790 2.070 2.033 2.125 . 0 0 "[ . 1 . 2]" 1
2096 1 58 LEU QD 1 59 THR H . . 4.610 3.921 3.848 4.051 . 0 0 "[ . 1 . 2]" 1
2097 1 60 THR H 1 63 GLU QB . . 3.400 2.383 2.341 2.405 . 0 0 "[ . 1 . 2]" 1
2098 1 60 THR HA 1 63 GLU QB . . 5.040 4.638 4.532 4.668 . 0 0 "[ . 1 . 2]" 1
2099 1 60 THR HB 1 62 GLU QG . . 3.680 3.343 3.264 3.364 . 0 0 "[ . 1 . 2]" 1
2100 1 60 THR HB 1 63 GLU QB . . 4.650 4.231 4.071 4.320 . 0 0 "[ . 1 . 2]" 1
2101 1 60 THR MG 1 62 GLU QG . . 4.260 4.185 4.127 4.248 . 0 0 "[ . 1 . 2]" 1
2102 1 60 THR MG 1 63 GLU QB . . 3.920 3.872 3.730 3.921 0.001 18 0 "[ . 1 . 2]" 1
2103 1 61 GLU H 1 62 GLU QB . . 5.340 4.738 4.721 4.765 . 0 0 "[ . 1 . 2]" 1
2104 1 61 GLU H 1 62 GLU QG . . 3.810 3.775 3.756 3.792 . 0 0 "[ . 1 . 2]" 1
2105 1 62 GLU H 1 62 GLU QB . . 3.100 2.604 2.600 2.609 . 0 0 "[ . 1 . 2]" 1
2106 1 62 GLU H 1 62 GLU QG . . 2.980 2.214 2.191 2.268 . 0 0 "[ . 1 . 2]" 1
2107 1 62 GLU HA 1 62 GLU QG . . 2.780 2.581 2.575 2.590 . 0 0 "[ . 1 . 2]" 1
2108 1 62 GLU QB 1 62 GLU QG . . 2.330 2.033 2.032 2.036 . 0 0 "[ . 1 . 2]" 1
2109 1 62 GLU QB 1 63 GLU H . . 4.060 2.912 2.837 2.965 . 0 0 "[ . 1 . 2]" 1
2110 1 63 GLU H 1 63 GLU QB . . 3.420 2.290 2.275 2.325 . 0 0 "[ . 1 . 2]" 1
2111 1 63 GLU HA 1 63 GLU QB . . 2.630 2.316 2.303 2.358 . 0 0 "[ . 1 . 2]" 1
2112 1 63 GLU QB 1 64 PHE H . . 3.590 2.843 2.814 2.856 . 0 0 "[ . 1 . 2]" 1
2113 1 65 VAL MG1 1 66 GLU QB . . 5.320 5.119 4.765 5.322 0.002 10 0 "[ . 1 . 2]" 1
2114 1 66 GLU H 1 66 GLU QB . . 3.030 2.488 2.203 2.721 . 0 0 "[ . 1 . 2]" 1
2115 1 66 GLU H 1 66 GLU QG . . 4.440 2.762 1.923 4.094 . 0 0 "[ . 1 . 2]" 1
2116 1 66 GLU HA 1 66 GLU QG . . 3.340 3.001 2.183 3.339 . 0 0 "[ . 1 . 2]" 1
2117 1 66 GLU QB 1 67 GLY H . . 3.610 2.710 2.364 3.379 . 0 0 "[ . 1 . 2]" 1
2118 1 66 GLU QG 1 67 GLY H . . 3.920 2.948 1.915 3.737 . 0 0 "[ . 1 . 2]" 1
2119 1 66 GLU QG 1 67 GLY HA3 . . 4.630 4.058 3.719 4.521 . 0 0 "[ . 1 . 2]" 1
2120 1 70 LYS H 1 70 LYS QE . . 4.550 4.410 3.748 4.541 . 0 0 "[ . 1 . 2]" 1
2121 1 70 LYS HA 1 70 LYS QE . . 4.700 4.322 4.156 4.416 . 0 0 "[ . 1 . 2]" 1
2122 1 70 LYS HD3 1 72 GLU QG . . 4.790 4.644 4.170 4.794 0.004 10 0 "[ . 1 . 2]" 1
2123 1 70 LYS QE 1 71 VAL H . . 5.340 4.540 4.373 4.720 . 0 0 "[ . 1 . 2]" 1
2124 1 70 LYS QE 1 72 GLU HA . . 5.340 4.745 4.419 5.218 . 0 0 "[ . 1 . 2]" 1
2125 1 70 LYS QE 1 72 GLU HB2 . . 4.770 4.149 3.510 4.523 . 0 0 "[ . 1 . 2]" 1
2126 1 70 LYS QE 1 72 GLU QG . . 4.970 2.255 1.959 3.284 . 0 0 "[ . 1 . 2]" 1
2127 1 71 VAL MG1 1 72 GLU QG . . 5.340 4.503 4.318 4.788 . 0 0 "[ . 1 . 2]" 1
2128 1 72 GLU H 1 72 GLU QG . . 4.120 3.193 2.858 3.841 . 0 0 "[ . 1 . 2]" 1
2129 1 72 GLU HA 1 72 GLU QG . . 3.670 2.298 2.090 2.439 . 0 0 "[ . 1 . 2]" 1
2130 1 72 GLU HA 1 92 GLU QG . . 4.060 2.978 2.732 3.271 . 0 0 "[ . 1 . 2]" 1
2131 1 72 GLU HB2 1 72 GLU QG . . 2.540 2.266 2.134 2.492 . 0 0 "[ . 1 . 2]" 1
2132 1 72 GLU QG 1 92 GLU HA . . 4.520 2.848 2.653 3.166 . 0 0 "[ . 1 . 2]" 1
2133 1 72 GLU QG 1 93 VAL H . . 4.580 3.982 3.777 4.288 . 0 0 "[ . 1 . 2]" 1
2134 1 73 ILE H 1 92 GLU QG . . 4.600 3.872 3.491 4.109 . 0 0 "[ . 1 . 2]" 1
2135 1 73 ILE HA 1 74 ASP QB . . 4.880 4.135 3.982 4.280 . 0 0 "[ . 1 . 2]" 1
2136 1 73 ILE MG 1 74 ASP QB . . 4.590 4.025 3.893 4.142 . 0 0 "[ . 1 . 2]" 1
2137 1 74 ASP QB 1 76 LYS H . . 5.310 3.869 3.579 4.332 . 0 0 "[ . 1 . 2]" 1
2138 1 74 ASP QB 1 77 SER H . . 4.430 3.155 2.769 3.571 . 0 0 "[ . 1 . 2]" 1
2139 1 75 THR MG 1 111 LEU QB . . 5.000 3.604 3.526 3.649 . 0 0 "[ . 1 . 2]" 1
2140 1 76 LYS HA 1 76 LYS QG . . 3.600 3.400 3.367 3.415 . 0 0 "[ . 1 . 2]" 1
2141 1 76 LYS HA 1 79 TRP QB . . 4.790 2.491 2.255 2.740 . 0 0 "[ . 1 . 2]" 1
2142 1 76 LYS QB 1 79 TRP QB . . 4.870 4.040 3.767 4.245 . 0 0 "[ . 1 . 2]" 1
2143 1 76 LYS QG 1 77 SER H . . 4.630 2.102 1.940 2.775 . 0 0 "[ . 1 . 2]" 1
2144 1 76 LYS QG 1 77 SER QB . . 5.040 3.800 3.284 4.050 . 0 0 "[ . 1 . 2]" 1
2145 1 76 LYS QG 1 79 TRP H . . 5.340 5.172 5.096 5.330 . 0 0 "[ . 1 . 2]" 1
2146 1 79 TRP H 1 79 TRP QB . . 3.350 2.386 2.336 2.404 . 0 0 "[ . 1 . 2]" 1
2147 1 79 TRP H 1 82 LEU QD . . 5.440 3.989 3.944 4.099 . 0 0 "[ . 1 . 2]" 1
2148 1 79 TRP HA 1 82 LEU QD . . 2.500 1.860 1.848 1.879 . 0 0 "[ . 1 . 2]" 1
2149 1 79 TRP QB 1 80 LYS H . . 4.040 2.928 2.906 2.969 . 0 0 "[ . 1 . 2]" 1
2150 1 79 TRP QB 1 80 LYS HA . . 4.710 3.993 3.988 3.999 . 0 0 "[ . 1 . 2]" 1
2151 1 79 TRP QB 1 84 ILE H . . 4.000 3.101 3.044 3.166 . 0 0 "[ . 1 . 2]" 1
2152 1 79 TRP QB 1 84 ILE HB . . 4.000 2.700 2.572 2.768 . 0 0 "[ . 1 . 2]" 1
2153 1 79 TRP QB 1 84 ILE MG . . 3.900 2.375 2.255 2.478 . 0 0 "[ . 1 . 2]" 1
2154 1 79 TRP HE3 1 82 LEU QD . . 3.510 1.948 1.894 1.985 . 0 0 "[ . 1 . 2]" 1
2155 1 79 TRP HH2 1 111 LEU QB . . 5.140 3.113 2.961 3.257 . 0 0 "[ . 1 . 2]" 1
2156 1 79 TRP HH2 1 113 PRO QD . . 4.480 2.843 2.295 3.033 . 0 0 "[ . 1 . 2]" 1
2157 1 81 ALA H 1 82 LEU QD . . 4.480 3.209 3.169 3.295 . 0 0 "[ . 1 . 2]" 1
2158 1 81 ALA HA 1 82 LEU QD . . 4.750 4.685 4.654 4.716 . 0 0 "[ . 1 . 2]" 1
2159 1 81 ALA MB 1 82 LEU QD . . 3.440 3.243 3.183 3.309 . 0 0 "[ . 1 . 2]" 1
2160 1 82 LEU H 1 82 LEU QD . . 3.130 1.943 1.922 2.008 . 0 0 "[ . 1 . 2]" 1
2161 1 82 LEU HA 1 82 LEU QD . . 4.180 3.346 3.339 3.348 . 0 0 "[ . 1 . 2]" 1
2162 1 82 LEU HB2 1 82 LEU QD . . 2.700 2.046 2.038 2.067 . 0 0 "[ . 1 . 2]" 1
2163 1 82 LEU QD 1 83 GLY H . . 3.560 2.111 2.097 2.118 . 0 0 "[ . 1 . 2]" 1
2164 1 82 LEU QD 1 83 GLY HA2 . . 3.900 3.683 3.657 3.709 . 0 0 "[ . 1 . 2]" 1
2165 1 82 LEU QD 1 83 GLY HA3 . . 4.880 3.901 3.861 3.936 . 0 0 "[ . 1 . 2]" 1
2166 1 82 LEU QD 1 84 ILE H . . 4.680 2.076 2.058 2.113 . 0 0 "[ . 1 . 2]" 1
2167 1 82 LEU QD 1 84 ILE HA . . 3.770 3.555 3.488 3.636 . 0 0 "[ . 1 . 2]" 1
2168 1 82 LEU QD 1 84 ILE HB . . 3.130 2.075 2.033 2.125 . 0 0 "[ . 1 . 2]" 1
2169 1 84 ILE HA 1 85 SER QB . . 5.000 4.129 4.120 4.139 . 0 0 "[ . 1 . 2]" 1
2170 1 84 ILE MG 1 85 SER QB . . 3.800 3.237 3.212 3.253 . 0 0 "[ . 1 . 2]" 1
2171 1 84 ILE MG 1 113 PRO QD . . 4.750 3.979 3.851 4.092 . 0 0 "[ . 1 . 2]" 1
2172 1 84 ILE MD 1 85 SER QB . . 5.340 5.214 5.192 5.233 . 0 0 "[ . 1 . 2]" 1
2173 1 87 MET H 1 87 MET QB . . 3.190 2.404 2.152 2.553 . 0 0 "[ . 1 . 2]" 1
2174 1 87 MET H 1 87 MET QG . . 3.490 2.695 2.258 3.571 0.081 18 0 "[ . 1 . 2]" 1
2175 1 87 MET QB 1 87 MET ME . . 3.710 3.382 2.459 3.714 0.004 1 0 "[ . 1 . 2]" 1
2176 1 87 MET QG 1 88 HIS H . . 4.640 4.141 3.763 4.481 . 0 0 "[ . 1 . 2]" 1
2177 1 87 MET QG 1 114 TYR QD . . 4.350 3.967 3.365 4.354 0.004 8 0 "[ . 1 . 2]" 1
2178 1 87 MET ME 1 114 TYR QB . . 4.590 4.232 3.476 4.567 . 0 0 "[ . 1 . 2]" 1
2179 1 90 HIS HA 1 92 GLU QG . . 5.340 5.302 5.237 5.355 0.015 17 0 "[ . 1 . 2]" 1
2180 1 90 HIS HB2 1 92 GLU QG . . 4.370 3.633 3.552 3.713 . 0 0 "[ . 1 . 2]" 1
2181 1 90 HIS HB3 1 92 GLU QG . . 5.340 4.957 4.881 5.076 . 0 0 "[ . 1 . 2]" 1
2182 1 90 HIS HD2 1 92 GLU QG . . 3.560 2.101 1.981 2.517 . 0 0 "[ . 1 . 2]" 1
2183 1 97 ALA MB 1 124 ASN QD . . 4.610 4.351 3.745 4.611 0.001 6 0 "[ . 1 . 2]" 1
2184 1 99 ASP QB 1 100 SER H . . 4.280 3.211 1.976 4.035 . 0 0 "[ . 1 . 2]" 1
2185 1 100 SER HA 1 101 GLY QA . . 4.390 4.080 3.909 4.310 . 0 0 "[ . 1 . 2]" 1
2186 1 105 TYR QB 1 107 ILE MD . . 4.310 3.514 3.347 3.827 . 0 0 "[ . 1 . 2]" 1
2187 1 111 LEU H 1 111 LEU QB . . 3.560 2.221 2.185 2.259 . 0 0 "[ . 1 . 2]" 1
2188 1 111 LEU QB 1 111 LEU MD2 . . 3.210 2.030 2.006 2.047 . 0 0 "[ . 1 . 2]" 1
2189 1 111 LEU QB 1 112 SER H . . 3.900 3.415 3.113 3.533 . 0 0 "[ . 1 . 2]" 1
2190 1 111 LEU QB 1 112 SER HA . . 4.850 4.001 3.969 4.055 . 0 0 "[ . 1 . 2]" 1
2191 1 112 SER HA 1 113 PRO QD . . 3.520 1.871 1.862 1.874 . 0 0 "[ . 1 . 2]" 1
2192 1 112 SER QB 1 113 PRO QD . . 4.040 3.524 3.385 3.769 . 0 0 "[ . 1 . 2]" 1
2193 1 112 SER QB 1 114 TYR H . . 4.170 3.958 3.180 4.185 0.015 7 0 "[ . 1 . 2]" 1
2194 1 112 SER QB 1 115 SER H . . 3.960 3.084 2.574 3.667 . 0 0 "[ . 1 . 2]" 1
2195 1 114 TYR H 1 114 TYR QB . . 3.280 2.588 2.542 2.660 . 0 0 "[ . 1 . 2]" 1
2196 1 114 TYR QB 1 115 SER H . . 3.670 2.202 1.906 3.041 . 0 0 "[ . 1 . 2]" 1
2197 1 114 TYR QB 1 115 SER QB . . 4.980 3.691 3.218 4.428 . 0 0 "[ . 1 . 2]" 1
2198 1 114 TYR QD 1 115 SER QB . . 5.340 4.954 4.644 5.370 0.030 19 0 "[ . 1 . 2]" 1
2199 1 115 SER H 1 115 SER QB . . 3.520 2.397 2.231 3.022 . 0 0 "[ . 1 . 2]" 1
2200 1 115 SER QB 1 116 TYR H . . 4.080 2.411 2.023 3.120 . 0 0 "[ . 1 . 2]" 1
2201 1 115 SER QB 1 116 TYR QB . . 5.180 4.339 3.161 4.804 . 0 0 "[ . 1 . 2]" 1
2202 1 115 SER QB 1 116 TYR QD . . 4.220 3.452 2.865 4.221 0.001 16 0 "[ . 1 . 2]" 1
2203 1 124 ASN QB 1 125 PRO HA . . 4.970 4.546 4.476 4.594 . 0 0 "[ . 1 . 2]" 1
2204 1 124 ASN QB 1 125 PRO QD . . 3.240 1.947 1.931 2.016 . 0 0 "[ . 1 . 2]" 1
2205 1 124 ASN QB 1 126 LYS H . . 5.340 4.901 4.218 5.295 . 0 0 "[ . 1 . 2]" 1
2206 1 124 ASN QD 1 125 PRO QD . . 5.180 4.248 3.186 4.605 . 0 0 "[ . 1 . 2]" 1
2207 1 126 LYS H 1 126 LYS QB . . 3.100 2.546 2.303 3.102 0.002 1 0 "[ . 1 . 2]" 1
2208 1 126 LYS QB 1 127 GLU H . . 4.230 3.592 3.444 3.913 . 0 0 "[ . 1 . 2]" 1
2209 1 127 GLU H 1 127 GLU QB . . 2.720 2.545 2.346 2.650 . 0 0 "[ . 1 . 2]" 1
2210 1 127 GLU HA 1 127 GLU QB . . 2.620 2.280 2.175 2.437 . 0 0 "[ . 1 . 2]" 1
2211 1 127 GLU QB 1 127 GLU QG . . 2.420 2.063 2.002 2.085 . 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 72
_Distance_constraint_stats_list.Viol_count 1360
_Distance_constraint_stats_list.Viol_total 3668.762
_Distance_constraint_stats_list.Viol_max 0.322
_Distance_constraint_stats_list.Viol_rms 0.0868
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1274
_Distance_constraint_stats_list.Viol_average_violations_only 0.1349
_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 13 MET 3.117 0.227 13 0 "[ . 1 . 2]"
1 15 LYS 8.042 0.274 17 0 "[ . 1 . 2]"
1 16 VAL 21.109 0.322 12 0 "[ . 1 . 2]"
1 17 LEU 13.129 0.288 2 0 "[ . 1 . 2]"
1 18 ASP 2.927 0.132 17 0 "[ . 1 . 2]"
1 19 ALA 0.942 0.044 12 0 "[ . 1 . 2]"
1 23 SER 2.927 0.132 17 0 "[ . 1 . 2]"
1 25 ALA 11.088 0.322 12 0 "[ . 1 . 2]"
1 27 ASN 19.199 0.316 11 0 "[ . 1 . 2]"
1 29 ALA 5.220 0.214 9 0 "[ . 1 . 2]"
1 30 VAL 7.148 0.225 17 0 "[ . 1 . 2]"
1 31 HIS 14.068 0.253 9 0 "[ . 1 . 2]"
1 32 VAL 15.523 0.273 9 0 "[ . 1 . 2]"
1 33 PHE 4.164 0.136 1 0 "[ . 1 . 2]"
1 34 ARG 3.790 0.101 6 0 "[ . 1 . 2]"
1 35 LYS 4.907 0.263 20 0 "[ . 1 . 2]"
1 36 ALA 0.854 0.066 4 0 "[ . 1 . 2]"
1 40 THR 0.854 0.066 4 0 "[ . 1 . 2]"
1 42 GLU 3.790 0.101 6 0 "[ . 1 . 2]"
1 44 PHE 6.130 0.233 9 0 "[ . 1 . 2]"
1 45 ALA 9.393 0.273 9 0 "[ . 1 . 2]"
1 47 GLY 7.148 0.225 17 0 "[ . 1 . 2]"
1 49 THR 8.883 0.254 13 0 "[ . 1 . 2]"
1 50 SER 3.439 0.207 14 0 "[ . 1 . 2]"
1 53 GLY 13.460 0.296 13 0 "[ . 1 . 2]"
1 60 THR 7.180 0.214 16 0 "[ . 1 . 2]"
1 64 PHE 7.180 0.214 16 0 "[ . 1 . 2]"
1 68 ILE 4.907 0.263 20 0 "[ . 1 . 2]"
1 69 TYR 6.690 0.242 19 0 "[ . 1 . 2]"
1 70 LYS 4.164 0.136 1 0 "[ . 1 . 2]"
1 71 VAL 12.833 0.261 4 0 "[ . 1 . 2]"
1 72 GLU 14.068 0.253 9 0 "[ . 1 . 2]"
1 73 ILE 11.825 0.314 12 0 "[ . 1 . 2]"
1 74 ASP 5.220 0.214 9 0 "[ . 1 . 2]"
1 75 THR 4.618 0.211 9 0 "[ . 1 . 2]"
1 79 TRP 11.337 0.240 5 0 "[ . 1 . 2]"
1 83 GLY 6.008 0.240 5 0 "[ . 1 . 2]"
1 84 ILE 0.711 0.045 5 0 "[ . 1 . 2]"
1 91 ALA 11.825 0.314 12 0 "[ . 1 . 2]"
1 93 VAL 12.833 0.261 4 0 "[ . 1 . 2]"
1 95 PHE 6.690 0.242 19 0 "[ . 1 . 2]"
1 107 ILE 11.159 0.274 17 0 "[ . 1 . 2]"
1 109 ALA 9.256 0.288 2 0 "[ . 1 . 2]"
1 110 MET 5.994 0.265 14 0 "[ . 1 . 2]"
1 111 LEU 4.815 0.199 16 0 "[ . 1 . 2]"
1 118 THR 5.994 0.265 14 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 15 LYS H 1 107 ILE O . . 1.800 1.981 1.882 2.018 0.218 10 0 "[ . 1 . 2]" 2
2 1 15 LYS N 1 107 ILE O . . 2.700 2.921 2.838 2.974 0.274 17 0 "[ . 1 . 2]" 2
3 1 16 VAL H 1 53 GLY O . . 1.800 2.028 2.017 2.049 0.249 13 0 "[ . 1 . 2]" 2
4 1 16 VAL N 1 53 GLY O . . 2.700 2.973 2.959 2.996 0.296 13 0 "[ . 1 . 2]" 2
5 1 17 LEU H 1 109 ALA O . . 1.800 2.004 1.925 2.026 0.226 17 0 "[ . 1 . 2]" 2
6 1 17 LEU N 1 109 ALA O . . 2.700 2.959 2.886 2.988 0.288 2 0 "[ . 1 . 2]" 2
7 1 18 ASP H 1 23 SER O . . 1.800 1.873 1.838 1.923 0.123 18 0 "[ . 1 . 2]" 2
8 1 18 ASP N 1 23 SER O . . 2.700 2.773 2.733 2.832 0.132 17 0 "[ . 1 . 2]" 2
9 1 19 ALA H 1 111 LEU O . . 1.800 1.809 1.798 1.837 0.037 16 0 "[ . 1 . 2]" 2
10 1 19 ALA N 1 111 LEU O . . 2.700 2.738 2.727 2.744 0.044 12 0 "[ . 1 . 2]" 2
11 1 16 VAL O 1 25 ALA H . . 1.800 2.055 2.045 2.064 0.264 19 0 "[ . 1 . 2]" 2
12 1 16 VAL O 1 25 ALA N . . 2.700 3.000 2.949 3.022 0.322 12 0 "[ . 1 . 2]" 2
13 1 27 ASN H 1 49 THR O . . 1.800 2.033 2.020 2.054 0.254 13 0 "[ . 1 . 2]" 2
14 1 27 ASN N 1 49 THR O . . 2.700 2.911 2.896 2.949 0.249 13 0 "[ . 1 . 2]" 2
15 1 27 ASN HD21 1 27 ASN N . . 1.800 2.113 2.109 2.116 0.316 11 0 "[ . 1 . 2]" 2
16 1 27 ASN N 1 27 ASN ND2 . . 2.700 2.902 2.898 2.905 0.205 10 0 "[ . 1 . 2]" 2
17 1 30 VAL H 1 47 GLY O . . 1.800 1.849 1.820 1.871 0.071 7 0 "[ . 1 . 2]" 2
18 1 30 VAL N 1 47 GLY O . . 2.700 2.747 2.736 2.762 0.062 18 0 "[ . 1 . 2]" 2
19 1 31 HIS H 1 72 GLU O . . 1.800 2.005 1.914 2.028 0.228 9 0 "[ . 1 . 2]" 2
20 1 31 HIS N 1 72 GLU O . . 2.700 2.901 2.824 2.953 0.253 9 0 "[ . 1 . 2]" 2
21 1 32 VAL H 1 45 ALA O . . 1.800 1.817 1.795 1.827 0.027 17 0 "[ . 1 . 2]" 2
22 1 32 VAL N 1 45 ALA O . . 2.700 2.741 2.730 2.746 0.046 10 0 "[ . 1 . 2]" 2
23 1 33 PHE H 1 70 LYS O . . 1.800 1.818 1.786 1.915 0.115 6 0 "[ . 1 . 2]" 2
24 1 33 PHE N 1 70 LYS O . . 2.700 2.765 2.742 2.826 0.126 6 0 "[ . 1 . 2]" 2
25 1 34 ARG H 1 42 GLU O . . 1.800 1.860 1.831 1.892 0.092 6 0 "[ . 1 . 2]" 2
26 1 34 ARG N 1 42 GLU O . . 2.700 2.772 2.747 2.801 0.101 6 0 "[ . 1 . 2]" 2
27 1 35 LYS H 1 68 ILE O . . 1.800 1.891 1.798 2.004 0.204 20 0 "[ . 1 . 2]" 2
28 1 35 LYS N 1 68 ILE O . . 2.700 2.855 2.748 2.963 0.263 20 0 "[ . 1 . 2]" 2
29 1 36 ALA H 1 40 THR O . . 1.800 1.789 1.771 1.800 . 0 0 "[ . 1 . 2]" 2
30 1 36 ALA N 1 40 THR O . . 2.700 2.743 2.702 2.766 0.066 4 0 "[ . 1 . 2]" 2
31 1 34 ARG O 1 42 GLU H . . 1.800 1.805 1.794 1.819 0.019 12 0 "[ . 1 . 2]" 2
32 1 34 ARG O 1 42 GLU N . . 2.700 2.751 2.743 2.764 0.064 9 0 "[ . 1 . 2]" 2
33 1 32 VAL O 1 44 PHE H . . 1.800 1.970 1.918 2.033 0.233 9 0 "[ . 1 . 2]" 2
34 1 32 VAL O 1 44 PHE N . . 2.700 2.836 2.783 2.915 0.215 9 0 "[ . 1 . 2]" 2
35 1 32 VAL O 1 45 ALA H . . 1.800 1.975 1.929 2.007 0.207 17 0 "[ . 1 . 2]" 2
36 1 32 VAL O 1 45 ALA N . . 2.700 2.937 2.895 2.973 0.273 9 0 "[ . 1 . 2]" 2
37 1 30 VAL O 1 47 GLY H . . 1.800 1.899 1.867 1.959 0.159 17 0 "[ . 1 . 2]" 2
38 1 30 VAL O 1 47 GLY N . . 2.700 2.863 2.832 2.925 0.225 17 0 "[ . 1 . 2]" 2
39 1 50 SER O 1 53 GLY H . . 1.800 1.913 1.870 2.007 0.207 14 0 "[ . 1 . 2]" 2
40 1 50 SER O 1 53 GLY N . . 2.700 2.759 2.743 2.808 0.108 12 0 "[ . 1 . 2]" 2
41 1 60 THR O 1 64 PHE H . . 1.800 2.007 2.003 2.014 0.214 16 0 "[ . 1 . 2]" 2
42 1 60 THR O 1 64 PHE N . . 2.700 2.852 2.843 2.874 0.174 10 0 "[ . 1 . 2]" 2
43 1 69 TYR H 1 95 PHE O . . 1.800 1.899 1.808 1.999 0.199 19 0 "[ . 1 . 2]" 2
44 1 69 TYR N 1 95 PHE O . . 2.700 2.837 2.746 2.942 0.242 19 0 "[ . 1 . 2]" 2
45 1 33 PHE O 1 70 LYS H . . 1.800 1.858 1.798 1.936 0.136 1 0 "[ . 1 . 2]" 2
46 1 33 PHE O 1 70 LYS N . . 2.700 2.765 2.740 2.807 0.107 1 0 "[ . 1 . 2]" 2
47 1 71 VAL H 1 93 VAL O . . 1.800 1.890 1.799 1.958 0.158 10 0 "[ . 1 . 2]" 2
48 1 71 VAL N 1 93 VAL O . . 2.700 2.839 2.753 2.921 0.221 8 0 "[ . 1 . 2]" 2
49 1 31 HIS O 1 72 GLU H . . 1.800 1.925 1.797 2.003 0.203 9 0 "[ . 1 . 2]" 2
50 1 31 HIS O 1 72 GLU N . . 2.700 2.873 2.749 2.939 0.239 9 0 "[ . 1 . 2]" 2
51 1 73 ILE H 1 91 ALA O . . 1.800 1.846 1.785 1.963 0.163 20 0 "[ . 1 . 2]" 2
52 1 73 ILE N 1 91 ALA O . . 2.700 2.814 2.748 2.932 0.232 20 0 "[ . 1 . 2]" 2
53 1 29 ALA O 1 74 ASP H . . 1.800 1.941 1.798 2.012 0.212 18 0 "[ . 1 . 2]" 2
54 1 29 ALA O 1 74 ASP N . . 2.700 2.820 2.742 2.914 0.214 9 0 "[ . 1 . 2]" 2
55 1 75 THR O 1 79 TRP H . . 1.800 1.938 1.892 2.011 0.211 9 0 "[ . 1 . 2]" 2
56 1 75 THR O 1 79 TRP N . . 2.700 2.793 2.748 2.867 0.167 7 0 "[ . 1 . 2]" 2
57 1 79 TRP O 1 83 GLY H . . 1.800 2.017 1.991 2.040 0.240 5 0 "[ . 1 . 2]" 2
58 1 79 TRP O 1 83 GLY N . . 2.700 2.784 2.751 2.819 0.119 7 0 "[ . 1 . 2]" 2
59 1 79 TRP O 1 84 ILE H . . 1.800 1.789 1.783 1.796 . 0 0 "[ . 1 . 2]" 2
60 1 79 TRP O 1 84 ILE N . . 2.700 2.736 2.729 2.745 0.045 5 0 "[ . 1 . 2]" 2
61 1 73 ILE O 1 91 ALA H . . 1.800 1.999 1.931 2.041 0.241 12 0 "[ . 1 . 2]" 2
62 1 73 ILE O 1 91 ALA N . . 2.700 2.931 2.866 3.014 0.314 12 0 "[ . 1 . 2]" 2
63 1 71 VAL O 1 93 VAL H . . 1.800 1.981 1.866 2.012 0.212 4 0 "[ . 1 . 2]" 2
64 1 71 VAL O 1 93 VAL N . . 2.700 2.931 2.828 2.961 0.261 4 0 "[ . 1 . 2]" 2
65 1 69 TYR O 1 95 PHE H . . 1.800 1.819 1.794 1.961 0.161 4 0 "[ . 1 . 2]" 2
66 1 69 TYR O 1 95 PHE N . . 2.700 2.779 2.748 2.852 0.152 4 0 "[ . 1 . 2]" 2
67 1 13 MET O 1 107 ILE H . . 1.800 1.853 1.799 2.000 0.200 13 0 "[ . 1 . 2]" 2
68 1 13 MET O 1 107 ILE N . . 2.700 2.803 2.743 2.927 0.227 13 0 "[ . 1 . 2]" 2
69 1 110 MET H 1 118 THR O . . 1.800 1.923 1.818 2.000 0.200 2 0 "[ . 1 . 2]" 2
70 1 110 MET N 1 118 THR O . . 2.700 2.876 2.762 2.965 0.265 14 0 "[ . 1 . 2]" 2
71 1 17 LEU O 1 111 LEU H . . 1.800 1.954 1.899 1.999 0.199 16 0 "[ . 1 . 2]" 2
72 1 17 LEU O 1 111 LEU N . . 2.700 2.740 2.720 2.775 0.075 16 0 "[ . 1 . 2]" 2
stop_
save_
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