NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
498517 |
2l8o   |
17420 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l8o
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 1174
_Distance_constraint_stats_list.Viol_count 2330
_Distance_constraint_stats_list.Viol_total 4777.354
_Distance_constraint_stats_list.Viol_max 0.833
_Distance_constraint_stats_list.Viol_rms 0.0425
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.1025
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 4.538 0.281 18 0 "[ . 1 . 2]"
1 4 ILE 5.239 0.521 15 1 "[ . 1 + 2]"
1 5 THR 3.783 0.521 15 1 "[ . 1 + 2]"
1 6 VAL 3.824 0.804 12 1 "[ . 1 + . 2]"
1 7 GLU 4.543 0.558 16 1 "[ . 1 .+ 2]"
1 8 VAL 8.624 0.301 10 0 "[ . 1 . 2]"
1 9 THR 5.818 0.454 15 0 "[ . 1 . 2]"
1 10 VAL 7.292 0.636 15 1 "[ . 1 + 2]"
1 11 TYR 2.884 0.423 15 0 "[ . 1 . 2]"
1 12 ALA 1.025 0.331 15 0 "[ . 1 . 2]"
1 13 ALA 0.660 0.105 18 0 "[ . 1 . 2]"
1 14 ILE 14.070 0.518 12 1 "[ . 1 + . 2]"
1 15 GLU 3.351 0.229 13 0 "[ . 1 . 2]"
1 16 LYS 0.128 0.056 15 0 "[ . 1 . 2]"
1 17 VAL 4.822 0.435 19 0 "[ . 1 . 2]"
1 18 TRP 9.970 0.393 13 0 "[ . 1 . 2]"
1 19 LYS 1.960 0.343 12 0 "[ . 1 . 2]"
1 20 TYR 1.254 0.361 6 0 "[ . 1 . 2]"
1 21 TRP 8.774 0.325 3 0 "[ . 1 . 2]"
1 22 ASN 2.724 0.193 13 0 "[ . 1 . 2]"
1 23 GLU 2.199 0.193 13 0 "[ . 1 . 2]"
1 24 PRO 0.966 0.148 2 0 "[ . 1 . 2]"
1 25 ALA 0.369 0.115 20 0 "[ . 1 . 2]"
1 26 HIS 1.080 0.238 13 0 "[ . 1 . 2]"
1 27 ILE 2.212 0.160 19 0 "[ . 1 . 2]"
1 28 MET 5.109 0.540 1 1 "[+ . 1 . 2]"
1 29 LYS 5.472 0.263 11 0 "[ . 1 . 2]"
1 30 TRP 15.764 0.632 11 1 "[ . 1+ . 2]"
1 31 CYS 1.790 0.198 11 0 "[ . 1 . 2]"
1 32 GLN 4.472 0.632 11 1 "[ . 1+ . 2]"
1 33 ALA 5.414 0.491 14 0 "[ . 1 . 2]"
1 34 SER 5.488 0.493 15 0 "[ . 1 . 2]"
1 35 PRO 4.416 0.493 15 0 "[ . 1 . 2]"
1 36 GLU 2.621 0.433 9 0 "[ . 1 . 2]"
1 37 TRP 7.416 0.238 10 0 "[ . 1 . 2]"
1 38 HIS 3.022 0.228 1 0 "[ . 1 . 2]"
1 39 VAL 2.984 0.360 14 0 "[ . 1 . 2]"
1 40 PRO 2.815 0.363 6 0 "[ . 1 . 2]"
1 41 ALA 5.198 0.363 6 0 "[ . 1 . 2]"
1 42 ALA 5.089 0.540 1 1 "[+ . 1 . 2]"
1 43 GLN 3.509 0.475 2 0 "[ . 1 . 2]"
1 44 ASN 0.076 0.071 8 0 "[ . 1 . 2]"
1 45 ASP 0.584 0.118 9 0 "[ . 1 . 2]"
1 46 LEU 5.543 0.616 5 1 "[ + 1 . 2]"
1 47 LYS 0.851 0.616 5 1 "[ + 1 . 2]"
1 48 ALA 2.041 0.122 3 0 "[ . 1 . 2]"
1 49 GLY 0.975 0.239 10 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 THR 2.969 0.233 10 0 "[ . 1 . 2]"
1 52 PHE 5.233 0.261 4 0 "[ . 1 . 2]"
1 53 THR 2.504 0.190 5 0 "[ . 1 . 2]"
1 54 THR 0.481 0.120 8 0 "[ . 1 . 2]"
1 55 THR 4.897 0.232 8 0 "[ . 1 . 2]"
1 56 MET 2.592 0.204 2 0 "[ . 1 . 2]"
1 57 ALA 3.393 0.297 13 0 "[ . 1 . 2]"
1 58 ALA 7.285 0.256 20 0 "[ . 1 . 2]"
1 59 LYS 5.809 0.443 3 0 "[ . 1 . 2]"
1 60 ASP 0.235 0.099 4 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 SER 1.114 0.138 10 0 "[ . 1 . 2]"
1 63 MET 4.428 0.527 17 1 "[ . 1 . + 2]"
1 64 SER 2.331 0.527 17 1 "[ . 1 . + 2]"
1 65 PHE 1.788 0.292 12 0 "[ . 1 . 2]"
1 66 ASP 0.811 0.292 12 0 "[ . 1 . 2]"
1 67 PHE 4.360 0.261 4 0 "[ . 1 . 2]"
1 68 GLY 0.050 0.034 13 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 3.462 0.297 10 0 "[ . 1 . 2]"
1 71 TYR 1.348 0.233 10 0 "[ . 1 . 2]"
1 72 ASP 1.110 0.114 4 0 "[ . 1 . 2]"
1 73 GLN 2.255 0.177 2 0 "[ . 1 . 2]"
1 74 VAL 7.184 0.317 10 0 "[ . 1 . 2]"
1 75 LYS 3.582 0.263 9 0 "[ . 1 . 2]"
1 76 THR 1.514 0.222 18 0 "[ . 1 . 2]"
1 77 ASN 5.231 0.526 17 1 "[ . 1 . + 2]"
1 78 ASP 2.877 0.158 20 0 "[ . 1 . 2]"
1 79 LEU 5.520 0.263 9 0 "[ . 1 . 2]"
1 80 ILE 2.383 0.180 5 0 "[ . 1 . 2]"
1 81 GLU 4.369 0.220 8 0 "[ . 1 . 2]"
1 82 TYR 1.870 0.408 12 0 "[ . 1 . 2]"
1 83 THR 1.607 0.399 9 0 "[ . 1 . 2]"
1 84 ILE 3.766 0.408 12 0 "[ . 1 . 2]"
1 85 GLY 0.173 0.149 19 0 "[ . 1 . 2]"
1 86 ASP 0.113 0.034 5 0 "[ . 1 . 2]"
1 87 GLY 0.302 0.105 4 0 "[ . 1 . 2]"
1 88 ARG 2.020 0.386 19 0 "[ . 1 . 2]"
1 89 LYS 10.114 0.484 19 0 "[ . 1 . 2]"
1 90 VAL 6.463 0.484 19 0 "[ . 1 . 2]"
1 91 ARG 1.884 0.166 5 0 "[ . 1 . 2]"
1 92 ILE 4.273 0.263 13 0 "[ . 1 . 2]"
1 93 VAL 0.882 0.178 11 0 "[ . 1 . 2]"
1 94 PHE 5.951 0.321 12 0 "[ . 1 . 2]"
1 95 THR 2.709 0.166 11 0 "[ . 1 . 2]"
1 96 HIS 1.688 0.518 12 1 "[ . 1 + . 2]"
1 97 THR 4.592 0.276 7 0 "[ . 1 . 2]"
1 99 ASP 0.071 0.059 14 0 "[ . 1 . 2]"
1 100 THR 5.435 0.397 17 0 "[ . 1 . 2]"
1 101 THR 7.225 0.636 15 1 "[ . 1 + 2]"
1 102 ASN 6.321 0.276 7 0 "[ . 1 . 2]"
1 103 ILE 14.136 0.301 10 0 "[ . 1 . 2]"
1 104 VAL 3.656 0.833 18 1 "[ . 1 . + 2]"
1 105 GLU 3.441 0.833 18 1 "[ . 1 . + 2]"
1 106 SER 1.955 0.248 20 0 "[ . 1 . 2]"
1 107 PHE 8.427 0.307 18 0 "[ . 1 . 2]"
1 108 ASP 3.469 0.307 18 0 "[ . 1 . 2]"
1 109 PRO 3.498 0.284 6 0 "[ . 1 . 2]"
1 110 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 GLU 0.211 0.100 19 0 "[ . 1 . 2]"
1 112 THR 0.211 0.100 19 0 "[ . 1 . 2]"
1 113 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 PRO 1.259 0.558 7 1 "[ . + 1 . 2]"
1 115 ARG 0.626 0.198 4 0 "[ . 1 . 2]"
1 116 GLU 0.007 0.007 3 0 "[ . 1 . 2]"
1 117 LEU 2.601 0.221 8 0 "[ . 1 . 2]"
1 118 GLN 6.617 0.558 7 1 "[ . + 1 . 2]"
1 119 GLN 2.379 0.286 18 0 "[ . 1 . 2]"
1 120 SER 0.240 0.240 12 0 "[ . 1 . 2]"
1 121 GLY 2.488 0.255 17 0 "[ . 1 . 2]"
1 122 TRP 3.843 0.214 12 0 "[ . 1 . 2]"
1 123 GLN 3.052 0.804 12 1 "[ . 1 + . 2]"
1 124 ALA 5.508 0.302 2 0 "[ . 1 . 2]"
1 125 ILE 7.613 0.325 4 0 "[ . 1 . 2]"
1 126 LEU 3.694 0.558 16 1 "[ . 1 .+ 2]"
1 127 ASN 4.369 0.411 20 0 "[ . 1 . 2]"
1 128 SER 0.001 0.001 10 0 "[ . 1 . 2]"
1 129 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 LYS 0.788 0.411 20 0 "[ . 1 . 2]"
1 131 SER 0.013 0.013 3 0 "[ . 1 . 2]"
1 132 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 THR 4.057 0.404 2 0 "[ . 1 . 2]"
1 134 GLU 2.733 0.404 2 0 "[ . 1 . 2]"
1 135 ASN 0.749 0.198 3 0 "[ . 1 . 2]"
1 136 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 LEU 1.242 0.389 6 0 "[ . 1 . 2]"
1 138 GLU 0.040 0.040 12 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 2 ASN QB 1 3 LYS H . . 4.260 3.098 1.843 4.065 . 0 0 "[ . 1 . 2]" 1
2 1 3 LYS H 1 3 LYS QB 3.660 . 3.660 2.537 2.270 3.080 . 0 0 "[ . 1 . 2]" 1
3 1 3 LYS H 1 3 LYS QG 4.260 . 4.260 2.362 1.819 4.151 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS HA 1 3 LYS QG 3.670 . 3.670 2.649 2.312 3.347 . 0 0 "[ . 1 . 2]" 1
5 1 3 LYS HA 1 109 PRO QD 4.150 . 4.150 4.230 3.755 4.431 0.281 18 0 "[ . 1 . 2]" 1
6 1 3 LYS QB 1 4 ILE H . . 4.200 3.772 1.902 4.073 . 0 0 "[ . 1 . 2]" 1
7 1 3 LYS QB 1 106 SER QB 4.780 . 4.780 4.251 3.489 5.028 0.248 20 0 "[ . 1 . 2]" 1
8 1 3 LYS QB 1 107 PHE H 5.390 . 5.390 5.285 4.635 5.594 0.204 12 0 "[ . 1 . 2]" 1
9 1 3 LYS QG 1 4 ILE H 4.790 . 4.790 4.263 3.664 4.501 . 0 0 "[ . 1 . 2]" 1
10 1 4 ILE H 1 4 ILE HB 3.550 . 3.550 2.647 2.520 2.852 . 0 0 "[ . 1 . 2]" 1
11 1 4 ILE H 1 4 ILE MD 4.250 . 4.250 3.375 2.329 4.311 0.061 17 0 "[ . 1 . 2]" 1
12 1 4 ILE H 1 4 ILE QG . . 4.070 2.046 1.841 3.094 . 0 0 "[ . 1 . 2]" 1
13 1 4 ILE H 1 4 ILE MG 4.590 . 4.590 3.799 3.765 3.947 . 0 0 "[ . 1 . 2]" 1
14 1 4 ILE H 1 106 SER HA 5.840 . 5.840 5.514 4.897 5.820 . 0 0 "[ . 1 . 2]" 1
15 1 4 ILE H 1 107 PHE H 3.990 . 3.990 4.079 3.787 4.265 0.275 5 0 "[ . 1 . 2]" 1
16 1 4 ILE H 1 109 PRO QD 4.450 . 4.450 3.273 2.756 3.833 . 0 0 "[ . 1 . 2]" 1
17 1 4 ILE H 1 109 PRO QG 5.100 . 5.100 4.514 3.487 5.274 0.174 8 0 "[ . 1 . 2]" 1
18 1 4 ILE HA 1 4 ILE QG . . 3.490 2.528 2.405 3.106 . 0 0 "[ . 1 . 2]" 1
19 1 4 ILE HA 1 4 ILE MG 3.360 . 3.360 2.367 2.322 2.404 . 0 0 "[ . 1 . 2]" 1
20 1 4 ILE HA 1 5 THR H 2.830 . 2.830 2.184 2.133 2.233 . 0 0 "[ . 1 . 2]" 1
21 1 4 ILE HB 1 5 THR H 4.920 . 4.920 4.052 3.920 4.279 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE HB 1 107 PHE H 4.410 . 4.410 3.471 2.838 4.394 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE HB 1 109 PRO QD 4.520 . 4.520 3.559 3.026 3.907 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE MD 1 109 PRO QD 3.540 . 3.540 2.815 2.265 3.640 0.100 15 0 "[ . 1 . 2]" 1
25 1 4 ILE MD 1 109 PRO QG 2.940 . 2.940 2.438 2.149 3.224 0.284 6 0 "[ . 1 . 2]" 1
26 1 4 ILE MD 1 115 ARG HA 3.900 . 3.900 3.052 2.331 3.958 0.058 6 0 "[ . 1 . 2]" 1
27 1 4 ILE MD 1 115 ARG QB 4.010 . 4.010 2.424 2.325 3.058 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE MD 1 119 GLN H 4.710 . 4.710 3.291 2.742 4.604 . 0 0 "[ . 1 . 2]" 1
29 1 4 ILE QG 1 5 THR H 4.140 . 4.140 4.187 4.078 4.661 0.521 15 1 "[ . 1 + 2]" 1
30 1 4 ILE QG 1 119 GLN H 5.240 . 5.240 4.912 4.282 5.526 0.286 18 0 "[ . 1 . 2]" 1
31 1 4 ILE MG 1 5 THR H 3.320 . 3.320 2.480 2.329 2.887 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE MG 1 6 VAL QG 3.430 . 3.430 2.459 2.268 2.958 . 0 0 "[ . 1 . 2]" 1
33 1 4 ILE MG 1 119 GLN H 4.510 . 4.510 4.121 3.724 4.624 0.114 15 0 "[ . 1 . 2]" 1
34 1 4 ILE MG 1 119 GLN HA 3.590 . 3.590 2.552 2.343 3.004 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE MG 1 119 GLN QB 4.320 . 4.320 2.845 2.320 3.644 . 0 0 "[ . 1 . 2]" 1
36 1 4 ILE MG 1 120 SER H 5.910 . 5.910 5.415 5.171 5.736 . 0 0 "[ . 1 . 2]" 1
37 1 5 THR H 1 5 THR HB 3.250 . 3.250 3.037 2.609 3.362 0.112 6 0 "[ . 1 . 2]" 1
38 1 5 THR H 1 5 THR HG1 4.120 . 4.120 2.611 2.053 3.609 . 0 0 "[ . 1 . 2]" 1
39 1 5 THR H 1 6 VAL H 4.680 . 4.680 4.332 4.255 4.411 . 0 0 "[ . 1 . 2]" 1
40 1 5 THR H 1 6 VAL QG 5.280 . 5.280 3.634 3.450 3.953 . 0 0 "[ . 1 . 2]" 1
41 1 5 THR H 1 107 PHE H 5.490 . 5.490 5.365 5.002 5.629 0.139 8 0 "[ . 1 . 2]" 1
42 1 5 THR HA 1 5 THR HG1 3.260 . 3.260 2.357 2.071 2.997 . 0 0 "[ . 1 . 2]" 1
43 1 5 THR HA 1 6 VAL H 2.910 . 2.910 2.170 2.141 2.299 . 0 0 "[ . 1 . 2]" 1
44 1 5 THR HA 1 6 VAL QG 4.260 . 4.260 3.146 3.022 3.213 . 0 0 "[ . 1 . 2]" 1
45 1 5 THR HA 1 106 SER HA 3.460 . 3.460 2.636 2.417 2.803 . 0 0 "[ . 1 . 2]" 1
46 1 5 THR HA 1 106 SER QB . . 4.030 3.480 2.740 4.089 0.059 16 0 "[ . 1 . 2]" 1
47 1 5 THR HA 1 107 PHE H 4.070 . 4.070 4.061 3.384 4.310 0.240 17 0 "[ . 1 . 2]" 1
48 1 5 THR HB 1 6 VAL H 4.430 . 4.430 4.033 3.753 4.157 . 0 0 "[ . 1 . 2]" 1
49 1 5 THR HG1 1 6 VAL H 3.200 . 3.200 2.477 1.848 2.923 . 0 0 "[ . 1 . 2]" 1
50 1 5 THR HG1 1 106 SER HA 4.270 . 4.270 3.862 3.492 4.280 0.010 10 0 "[ . 1 . 2]" 1
51 1 5 THR HG1 1 107 PHE H 5.950 . 5.950 5.126 4.575 5.533 . 0 0 "[ . 1 . 2]" 1
52 1 6 VAL H 1 6 VAL QG . . 3.060 2.115 2.074 2.148 . 0 0 "[ . 1 . 2]" 1
53 1 6 VAL H 1 7 GLU H 4.670 . 4.670 4.404 4.369 4.430 . 0 0 "[ . 1 . 2]" 1
54 1 6 VAL H 1 106 SER HA 3.880 . 3.880 3.815 3.575 3.999 0.119 7 0 "[ . 1 . 2]" 1
55 1 6 VAL H 1 107 PHE H 5.480 . 5.480 5.542 5.405 5.643 0.163 6 0 "[ . 1 . 2]" 1
56 1 6 VAL HA 1 6 VAL QG 3.130 . 3.130 2.282 2.272 2.290 . 0 0 "[ . 1 . 2]" 1
57 1 6 VAL HA 1 7 GLU H 2.900 . 2.900 2.303 2.250 2.373 . 0 0 "[ . 1 . 2]" 1
58 1 6 VAL HB 1 7 GLU H 3.130 . 3.130 2.613 2.371 2.830 . 0 0 "[ . 1 . 2]" 1
59 1 6 VAL HB 1 123 GLN HA 4.220 . 4.220 3.750 3.533 3.934 . 0 0 "[ . 1 . 2]" 1
60 1 6 VAL HB 1 126 LEU QD 3.940 . 3.940 2.212 2.117 2.348 . 0 0 "[ . 1 . 2]" 1
61 1 6 VAL QG 1 7 GLU H . . 3.630 3.272 3.149 3.371 . 0 0 "[ . 1 . 2]" 1
62 1 6 VAL QG 1 119 GLN HA 4.470 . 4.470 3.764 3.273 4.320 . 0 0 "[ . 1 . 2]" 1
63 1 6 VAL QG 1 122 TRP QB . . 3.350 2.300 2.034 2.596 . 0 0 "[ . 1 . 2]" 1
64 1 6 VAL QG 1 123 GLN H 3.570 . 3.570 3.465 3.221 3.617 0.047 14 0 "[ . 1 . 2]" 1
65 1 6 VAL QG 1 123 GLN QB 2.870 . 2.870 2.956 2.783 3.674 0.804 12 1 "[ . 1 + . 2]" 1
66 1 7 GLU H 1 7 GLU QG 3.150 . 3.150 2.546 2.271 3.489 0.339 13 0 "[ . 1 . 2]" 1
67 1 7 GLU H 1 8 VAL H 4.430 . 4.430 4.409 4.389 4.431 0.001 16 0 "[ . 1 . 2]" 1
68 1 7 GLU H 1 126 LEU QD 4.130 . 4.130 3.380 3.171 3.765 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLU HA 1 7 GLU QG 3.600 . 3.600 3.144 2.411 3.519 . 0 0 "[ . 1 . 2]" 1
70 1 7 GLU HA 1 8 VAL H 2.900 . 2.900 2.346 2.313 2.409 . 0 0 "[ . 1 . 2]" 1
71 1 7 GLU HA 1 103 ILE MG 4.490 . 4.490 4.118 3.686 4.356 . 0 0 "[ . 1 . 2]" 1
72 1 7 GLU HA 1 103 ILE H 4.790 . 4.790 4.737 4.455 4.875 0.085 15 0 "[ . 1 . 2]" 1
73 1 7 GLU HA 1 105 GLU H 3.900 . 3.900 3.900 3.493 4.097 0.197 1 0 "[ . 1 . 2]" 1
74 1 7 GLU HA 1 126 LEU QD 3.550 . 3.550 3.660 3.537 4.108 0.558 16 1 "[ . 1 .+ 2]" 1
75 1 7 GLU QG 1 8 VAL H 4.050 . 4.050 3.859 3.669 4.175 0.125 18 0 "[ . 1 . 2]" 1
76 1 8 VAL H 1 8 VAL HB 4.010 . 4.010 3.444 2.897 3.920 . 0 0 "[ . 1 . 2]" 1
77 1 8 VAL H 1 8 VAL QG . . 3.200 2.306 2.239 2.546 . 0 0 "[ . 1 . 2]" 1
78 1 8 VAL H 1 9 THR H 4.620 . 4.620 4.313 4.273 4.359 . 0 0 "[ . 1 . 2]" 1
79 1 8 VAL H 1 102 ASN HA 5.170 . 5.170 4.250 3.724 4.472 . 0 0 "[ . 1 . 2]" 1
80 1 8 VAL H 1 103 ILE HB 3.910 . 3.910 3.669 3.562 3.809 . 0 0 "[ . 1 . 2]" 1
81 1 8 VAL H 1 103 ILE MD 5.000 . 5.000 5.058 4.968 5.188 0.188 4 0 "[ . 1 . 2]" 1
82 1 8 VAL H 1 103 ILE MG 4.630 . 4.630 4.725 4.627 4.804 0.174 3 0 "[ . 1 . 2]" 1
83 1 8 VAL H 1 104 VAL HA 4.660 . 4.660 4.374 4.144 4.569 . 0 0 "[ . 1 . 2]" 1
84 1 8 VAL H 1 105 GLU H 6.000 . 6.000 5.906 5.610 6.086 0.086 18 0 "[ . 1 . 2]" 1
85 1 8 VAL H 1 126 LEU QD 4.430 . 4.430 4.065 3.869 4.460 0.030 16 0 "[ . 1 . 2]" 1
86 1 8 VAL HA 1 8 VAL QG 3.290 . 3.290 2.316 2.145 2.359 . 0 0 "[ . 1 . 2]" 1
87 1 8 VAL HA 1 9 THR H 2.910 . 2.910 2.228 2.197 2.316 . 0 0 "[ . 1 . 2]" 1
88 1 8 VAL HB 1 9 THR H 4.050 . 4.050 3.853 2.542 4.123 0.073 16 0 "[ . 1 . 2]" 1
89 1 8 VAL HB 1 103 ILE H 5.460 . 5.460 5.318 2.975 5.661 0.201 18 0 "[ . 1 . 2]" 1
90 1 8 VAL HB 1 103 ILE MD 4.860 . 4.860 4.911 2.894 5.161 0.301 10 0 "[ . 1 . 2]" 1
91 1 8 VAL QG 1 9 THR H . . 3.050 2.514 2.293 3.286 0.236 5 0 "[ . 1 . 2]" 1
92 1 8 VAL QG 1 103 ILE H 4.100 . 4.100 2.881 2.650 3.609 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL QG 1 103 ILE HB 3.590 . 3.590 2.202 2.104 2.618 . 0 0 "[ . 1 . 2]" 1
94 1 8 VAL QG 1 103 ILE MD 2.970 . 2.970 2.514 2.386 2.919 . 0 0 "[ . 1 . 2]" 1
95 1 8 VAL QG 1 103 ILE MG 4.690 . 4.690 3.242 3.080 3.409 . 0 0 "[ . 1 . 2]" 1
96 1 9 THR H 1 9 THR HB 3.410 . 3.410 3.110 2.508 3.715 0.305 15 0 "[ . 1 . 2]" 1
97 1 9 THR H 1 9 THR HG1 3.940 . 3.940 2.396 1.864 3.421 . 0 0 "[ . 1 . 2]" 1
98 1 9 THR H 1 10 VAL H 4.620 . 4.620 4.396 4.268 4.453 . 0 0 "[ . 1 . 2]" 1
99 1 9 THR H 1 10 VAL QG 4.400 . 4.400 3.989 3.809 4.854 0.454 15 0 "[ . 1 . 2]" 1
100 1 9 THR HA 1 10 VAL H 3.070 . 3.070 2.173 2.151 2.195 . 0 0 "[ . 1 . 2]" 1
101 1 9 THR HA 1 103 ILE H 4.570 . 4.570 4.313 3.913 4.684 0.114 16 0 "[ . 1 . 2]" 1
102 1 9 THR HB 1 10 VAL H 4.660 . 4.660 3.946 3.413 4.331 . 0 0 "[ . 1 . 2]" 1
103 1 9 THR HG1 1 10 VAL H 3.450 . 3.450 3.271 2.765 3.757 0.307 16 0 "[ . 1 . 2]" 1
104 1 9 THR HG1 1 102 ASN HA 4.640 . 4.640 4.330 3.414 4.708 0.068 5 0 "[ . 1 . 2]" 1
105 1 10 VAL H 1 10 VAL HB 3.780 . 3.780 2.759 2.628 3.765 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL H 1 10 VAL QG 3.190 . 3.190 2.582 2.042 2.701 . 0 0 "[ . 1 . 2]" 1
107 1 10 VAL H 1 12 ALA H 6.000 . 6.000 5.388 5.041 5.529 . 0 0 "[ . 1 . 2]" 1
108 1 10 VAL H 1 101 THR H 3.930 . 3.930 3.646 3.048 4.015 0.085 19 0 "[ . 1 . 2]" 1
109 1 10 VAL H 1 101 THR HB 4.700 . 4.700 4.020 3.773 4.350 . 0 0 "[ . 1 . 2]" 1
110 1 10 VAL H 1 101 THR HG1 4.380 . 4.380 4.428 4.264 4.650 0.270 4 0 "[ . 1 . 2]" 1
111 1 10 VAL H 1 102 ASN HA 3.800 . 3.800 3.419 3.152 3.783 . 0 0 "[ . 1 . 2]" 1
112 1 10 VAL H 1 103 ILE H 4.420 . 4.420 4.505 4.419 4.654 0.234 4 0 "[ . 1 . 2]" 1
113 1 10 VAL HA 1 11 TYR H 3.200 . 3.200 2.160 2.138 2.201 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL HB 1 11 TYR H 4.640 . 4.640 4.148 3.138 4.248 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL HB 1 12 ALA H 5.440 . 5.440 4.570 4.369 5.771 0.331 15 0 "[ . 1 . 2]" 1
116 1 10 VAL HB 1 101 THR H 4.470 . 4.470 4.167 3.728 5.106 0.636 15 1 "[ . 1 + 2]" 1
117 1 10 VAL HB 1 101 THR HB 4.890 . 4.890 2.940 2.463 4.842 . 0 0 "[ . 1 . 2]" 1
118 1 10 VAL QG 1 11 TYR H 3.430 . 3.430 2.747 2.405 3.463 0.033 4 0 "[ . 1 . 2]" 1
119 1 10 VAL QG 1 12 ALA H 4.020 . 4.020 3.390 3.021 3.750 . 0 0 "[ . 1 . 2]" 1
120 1 10 VAL QG 1 103 ILE H 3.900 . 3.900 3.779 3.532 4.076 0.176 15 0 "[ . 1 . 2]" 1
121 1 11 TYR H 1 11 TYR QB . . 3.270 2.436 2.306 2.482 . 0 0 "[ . 1 . 2]" 1
122 1 11 TYR H 1 12 ALA H 4.350 . 4.350 4.000 3.952 4.092 . 0 0 "[ . 1 . 2]" 1
123 1 11 TYR QB 1 12 ALA H . . 3.900 3.815 3.746 4.034 0.134 7 0 "[ . 1 . 2]" 1
124 1 11 TYR QB 1 101 THR H 5.070 . 5.070 5.190 5.023 5.493 0.423 15 0 "[ . 1 . 2]" 1
125 1 11 TYR QD 1 100 THR HG1 3.860 . 3.860 2.835 2.112 3.307 . 0 0 "[ . 1 . 2]" 1
126 1 11 TYR QE 1 100 THR HG1 3.760 . 3.760 2.971 2.399 3.778 0.018 7 0 "[ . 1 . 2]" 1
127 1 12 ALA H 1 12 ALA MB 3.410 . 3.410 2.841 2.820 2.861 . 0 0 "[ . 1 . 2]" 1
128 1 12 ALA H 1 13 ALA H 4.460 . 4.460 4.282 4.261 4.304 . 0 0 "[ . 1 . 2]" 1
129 1 12 ALA H 1 13 ALA MB 5.640 . 5.640 5.402 5.378 5.435 . 0 0 "[ . 1 . 2]" 1
130 1 12 ALA H 1 100 THR H 5.840 . 5.840 5.425 4.668 5.950 0.110 20 0 "[ . 1 . 2]" 1
131 1 12 ALA H 1 101 THR H 3.550 . 3.550 3.125 2.676 3.596 0.046 9 0 "[ . 1 . 2]" 1
132 1 12 ALA H 1 101 THR HB 4.240 . 4.240 3.559 3.238 4.151 . 0 0 "[ . 1 . 2]" 1
133 1 12 ALA H 1 101 THR HG1 4.620 . 4.620 3.542 2.665 4.323 . 0 0 "[ . 1 . 2]" 1
134 1 12 ALA HA 1 13 ALA H 2.680 . 2.680 2.292 2.251 2.315 . 0 0 "[ . 1 . 2]" 1
135 1 12 ALA MB 1 13 ALA H 3.100 . 3.100 2.655 2.589 2.760 . 0 0 "[ . 1 . 2]" 1
136 1 13 ALA H 1 13 ALA MB 2.720 . 2.720 2.214 2.161 2.236 . 0 0 "[ . 1 . 2]" 1
137 1 13 ALA H 1 15 GLU H 5.800 . 5.800 5.474 5.332 5.588 . 0 0 "[ . 1 . 2]" 1
138 1 13 ALA H 1 16 LYS H 4.780 . 4.780 4.440 4.251 4.697 . 0 0 "[ . 1 . 2]" 1
139 1 13 ALA H 1 16 LYS QB 4.380 . 4.380 3.324 2.975 3.635 . 0 0 "[ . 1 . 2]" 1
140 1 13 ALA H 1 16 LYS QG 5.810 . 5.810 5.100 4.281 5.505 . 0 0 "[ . 1 . 2]" 1
141 1 13 ALA H 1 17 VAL QG 5.180 . 5.180 4.143 3.867 5.063 . 0 0 "[ . 1 . 2]" 1
142 1 13 ALA HA 1 14 ILE H 2.980 . 2.980 2.205 2.176 2.230 . 0 0 "[ . 1 . 2]" 1
143 1 13 ALA HA 1 14 ILE MG 4.410 . 4.410 3.858 3.640 4.131 . 0 0 "[ . 1 . 2]" 1
144 1 13 ALA HA 1 15 GLU H 4.600 . 4.600 4.017 3.824 4.145 . 0 0 "[ . 1 . 2]" 1
145 1 13 ALA MB 1 14 ILE H 3.440 . 3.440 3.053 2.935 3.287 . 0 0 "[ . 1 . 2]" 1
146 1 13 ALA MB 1 14 ILE MG 4.130 . 4.130 3.554 3.382 3.770 . 0 0 "[ . 1 . 2]" 1
147 1 13 ALA MB 1 15 GLU H 3.290 . 3.290 2.858 2.708 3.026 . 0 0 "[ . 1 . 2]" 1
148 1 13 ALA MB 1 15 GLU HA 4.890 . 4.890 4.902 4.809 4.995 0.105 18 0 "[ . 1 . 2]" 1
149 1 13 ALA MB 1 16 LYS H 3.820 . 3.820 2.593 2.413 2.749 . 0 0 "[ . 1 . 2]" 1
150 1 14 ILE H 1 14 ILE HB 3.260 . 3.260 2.459 2.315 2.512 . 0 0 "[ . 1 . 2]" 1
151 1 14 ILE H 1 14 ILE MD 4.460 . 4.460 4.199 3.816 4.332 . 0 0 "[ . 1 . 2]" 1
152 1 14 ILE H 1 14 ILE QG 4.570 . 4.570 4.031 3.980 4.112 . 0 0 "[ . 1 . 2]" 1
153 1 14 ILE H 1 14 ILE MG 3.170 . 3.170 2.150 2.025 2.444 . 0 0 "[ . 1 . 2]" 1
154 1 14 ILE HA 1 14 ILE MD 3.350 . 3.350 3.184 2.192 3.723 0.373 14 0 "[ . 1 . 2]" 1
155 1 14 ILE HA 1 16 LYS H 4.900 . 4.900 4.222 4.106 4.373 . 0 0 "[ . 1 . 2]" 1
156 1 14 ILE HA 1 17 VAL HB 4.420 . 4.420 2.949 2.437 4.855 0.435 19 0 "[ . 1 . 2]" 1
157 1 14 ILE HA 1 17 VAL QG 2.990 . 2.990 2.791 2.068 3.042 0.052 13 0 "[ . 1 . 2]" 1
158 1 14 ILE HA 1 18 TRP H 4.460 . 4.460 3.714 3.472 4.101 . 0 0 "[ . 1 . 2]" 1
159 1 14 ILE HB 1 96 HIS QB . . 3.840 3.319 2.646 3.812 . 0 0 "[ . 1 . 2]" 1
160 1 14 ILE MD 1 18 TRP H 4.860 . 4.860 4.699 3.126 5.253 0.393 13 0 "[ . 1 . 2]" 1
161 1 14 ILE MD 1 18 TRP HA 5.550 . 5.550 5.134 3.696 5.691 0.141 7 0 "[ . 1 . 2]" 1
162 1 14 ILE MD 1 77 ASN HA 4.210 . 4.210 2.975 2.399 4.146 . 0 0 "[ . 1 . 2]" 1
163 1 14 ILE MD 1 77 ASN QB 4.320 . 4.320 2.987 2.277 4.300 . 0 0 "[ . 1 . 2]" 1
164 1 14 ILE MD 1 94 PHE QB 3.990 . 3.990 2.251 2.009 3.268 . 0 0 "[ . 1 . 2]" 1
165 1 14 ILE MD 1 94 PHE QD 5.550 . 5.550 3.127 2.285 3.946 . 0 0 "[ . 1 . 2]" 1
166 1 14 ILE MD 1 95 THR H 5.290 . 5.290 4.343 3.482 4.935 . 0 0 "[ . 1 . 2]" 1
167 1 14 ILE MD 1 96 HIS QB 3.460 . 3.460 3.329 2.420 3.978 0.518 12 1 "[ . 1 + . 2]" 1
168 1 14 ILE MD 1 101 THR HG1 3.400 . 3.400 2.732 2.020 3.432 0.032 20 0 "[ . 1 . 2]" 1
169 1 14 ILE QG 1 14 ILE MG 2.930 . 2.930 2.223 2.103 2.283 . 0 0 "[ . 1 . 2]" 1
170 1 14 ILE QG 1 15 GLU H 4.400 . 4.400 3.783 3.659 3.904 . 0 0 "[ . 1 . 2]" 1
171 1 14 ILE QG 1 18 TRP H 4.190 . 4.190 3.774 3.465 4.407 0.217 17 0 "[ . 1 . 2]" 1
172 1 14 ILE QG 1 18 TRP HA 5.200 . 5.200 4.623 4.251 5.334 0.134 18 0 "[ . 1 . 2]" 1
173 1 14 ILE QG 1 77 ASN H 5.230 . 5.230 4.713 4.451 4.994 . 0 0 "[ . 1 . 2]" 1
174 1 14 ILE QG 1 77 ASN HA 3.920 . 3.920 3.359 2.909 3.775 . 0 0 "[ . 1 . 2]" 1
175 1 14 ILE QG 1 77 ASN QB 3.810 . 3.810 3.234 2.060 3.897 0.087 16 0 "[ . 1 . 2]" 1
176 1 14 ILE QG 1 94 PHE QB 5.670 . 5.670 3.418 2.836 4.211 . 0 0 "[ . 1 . 2]" 1
177 1 14 ILE MG 1 15 GLU H 2.960 . 2.960 2.129 1.945 2.252 . 0 0 "[ . 1 . 2]" 1
178 1 14 ILE MG 1 15 GLU HA 4.450 . 4.450 3.192 3.081 3.294 . 0 0 "[ . 1 . 2]" 1
179 1 14 ILE MG 1 77 ASN H 5.710 . 5.710 5.735 5.546 5.801 0.091 19 0 "[ . 1 . 2]" 1
180 1 14 ILE MG 1 77 ASN HA 4.570 . 4.570 4.553 4.152 4.745 0.175 1 0 "[ . 1 . 2]" 1
181 1 14 ILE MG 1 77 ASN QB 4.670 . 4.670 3.270 2.751 3.615 . 0 0 "[ . 1 . 2]" 1
182 1 14 ILE MG 1 77 ASN HD21 4.640 . 4.640 3.822 2.921 4.650 0.010 13 0 "[ . 1 . 2]" 1
183 1 14 ILE MG 1 77 ASN QD 3.840 . 3.840 3.196 2.463 3.820 . 0 0 "[ . 1 . 2]" 1
184 1 14 ILE MG 1 77 ASN HD22 4.640 . 4.640 3.460 2.653 4.753 0.113 17 0 "[ . 1 . 2]" 1
185 1 15 GLU H 1 15 GLU QB 3.010 . 3.010 2.345 2.202 2.557 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLU H 1 16 LYS H 3.290 . 3.290 2.683 2.599 2.761 . 0 0 "[ . 1 . 2]" 1
187 1 15 GLU H 1 17 VAL H 4.580 . 4.580 4.293 4.188 4.542 . 0 0 "[ . 1 . 2]" 1
188 1 15 GLU H 1 17 VAL QG 4.650 . 4.650 4.673 3.964 4.879 0.229 13 0 "[ . 1 . 2]" 1
189 1 15 GLU HA 1 15 GLU QG . . 3.600 2.837 2.361 3.470 . 0 0 "[ . 1 . 2]" 1
190 1 15 GLU HA 1 18 TRP H 4.220 . 4.220 3.754 3.636 3.873 . 0 0 "[ . 1 . 2]" 1
191 1 15 GLU HA 1 18 TRP QB 3.960 . 3.960 2.804 2.626 2.956 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLU HA 1 77 ASN QD 5.120 . 5.120 2.949 2.065 3.793 . 0 0 "[ . 1 . 2]" 1
193 1 15 GLU QB 1 16 LYS H 3.530 . 3.530 2.967 2.539 3.514 . 0 0 "[ . 1 . 2]" 1
194 1 15 GLU QG 1 16 LYS H . . 3.860 3.125 1.963 3.876 0.016 17 0 "[ . 1 . 2]" 1
195 1 15 GLU QG 1 16 LYS HA 4.530 . 4.530 3.695 3.368 3.941 . 0 0 "[ . 1 . 2]" 1
196 1 16 LYS H 1 16 LYS QB . . 2.850 2.266 2.226 2.289 . 0 0 "[ . 1 . 2]" 1
197 1 16 LYS H 1 16 LYS QG 4.440 . 4.440 3.999 3.970 4.106 . 0 0 "[ . 1 . 2]" 1
198 1 16 LYS H 1 17 VAL H 3.180 . 3.180 2.582 2.493 2.718 . 0 0 "[ . 1 . 2]" 1
199 1 16 LYS H 1 17 VAL QG 3.960 . 3.960 3.767 3.370 3.871 . 0 0 "[ . 1 . 2]" 1
200 1 16 LYS H 1 18 TRP H 4.510 . 4.510 3.995 3.918 4.080 . 0 0 "[ . 1 . 2]" 1
201 1 16 LYS HA 1 16 LYS QG 3.610 . 3.610 2.394 2.343 2.595 . 0 0 "[ . 1 . 2]" 1
202 1 16 LYS HA 1 19 LYS H 3.980 . 3.980 3.752 3.642 3.874 . 0 0 "[ . 1 . 2]" 1
203 1 16 LYS QB 1 17 VAL H . . 3.590 2.415 2.320 2.497 . 0 0 "[ . 1 . 2]" 1
204 1 16 LYS QG 1 17 VAL H 4.820 . 4.820 3.631 3.480 3.911 . 0 0 "[ . 1 . 2]" 1
205 1 16 LYS QG 1 17 VAL HA 4.080 . 4.080 3.735 3.591 4.136 0.056 15 0 "[ . 1 . 2]" 1
206 1 16 LYS QG 1 20 TYR H 5.300 . 5.300 4.340 4.042 4.884 . 0 0 "[ . 1 . 2]" 1
207 1 17 VAL H 1 17 VAL HB 3.410 . 3.410 2.606 2.520 3.578 0.168 19 0 "[ . 1 . 2]" 1
208 1 17 VAL H 1 17 VAL QG . . 3.130 1.953 1.759 1.982 0.041 19 0 "[ . 1 . 2]" 1
209 1 17 VAL H 1 18 TRP H 3.710 . 3.710 2.700 2.634 2.747 . 0 0 "[ . 1 . 2]" 1
210 1 17 VAL H 1 19 LYS H 5.340 . 5.340 4.313 4.181 4.489 . 0 0 "[ . 1 . 2]" 1
211 1 17 VAL HA 1 17 VAL QG . . 3.100 2.152 2.111 2.306 . 0 0 "[ . 1 . 2]" 1
212 1 17 VAL HA 1 20 TYR H 4.710 . 4.710 3.415 3.233 3.590 . 0 0 "[ . 1 . 2]" 1
213 1 17 VAL HA 1 20 TYR QB 4.490 . 4.490 2.684 2.376 3.220 . 0 0 "[ . 1 . 2]" 1
214 1 17 VAL HB 1 18 TRP H 3.990 . 3.990 2.870 2.556 3.984 . 0 0 "[ . 1 . 2]" 1
215 1 17 VAL QG 1 18 TRP H . . 3.580 3.026 2.101 3.286 . 0 0 "[ . 1 . 2]" 1
216 1 17 VAL QG 1 18 TRP HA 4.760 . 4.760 3.438 2.956 3.632 . 0 0 "[ . 1 . 2]" 1
217 1 17 VAL QG 1 18 TRP QB 4.950 . 4.950 4.001 3.094 4.285 . 0 0 "[ . 1 . 2]" 1
218 1 17 VAL QG 1 20 TYR QD 4.370 . 4.370 4.107 3.670 4.731 0.361 6 0 "[ . 1 . 2]" 1
219 1 17 VAL QG 1 21 TRP H . . 4.660 3.517 3.306 4.347 . 0 0 "[ . 1 . 2]" 1
220 1 17 VAL QG 1 103 ILE MD 3.490 . 3.490 2.347 2.211 3.436 . 0 0 "[ . 1 . 2]" 1
221 1 17 VAL QG 1 103 ILE MG 5.840 . 5.840 4.357 4.039 5.055 . 0 0 "[ . 1 . 2]" 1
222 1 18 TRP H 1 18 TRP QB 3.060 . 3.060 2.242 2.208 2.259 . 0 0 "[ . 1 . 2]" 1
223 1 18 TRP H 1 19 LYS H 3.510 . 3.510 2.810 2.771 2.884 . 0 0 "[ . 1 . 2]" 1
224 1 18 TRP H 1 20 TYR H 4.860 . 4.860 4.383 4.193 4.670 . 0 0 "[ . 1 . 2]" 1
225 1 18 TRP HA 1 18 TRP HD1 5.110 . 5.110 3.658 2.486 4.135 . 0 0 "[ . 1 . 2]" 1
226 1 18 TRP HA 1 21 TRP H 4.890 . 4.890 3.754 3.455 3.924 . 0 0 "[ . 1 . 2]" 1
227 1 18 TRP HA 1 21 TRP QB 4.230 . 4.230 2.736 2.395 2.980 . 0 0 "[ . 1 . 2]" 1
228 1 18 TRP HA 1 80 ILE MD 5.100 . 5.100 4.573 4.050 5.099 . 0 0 "[ . 1 . 2]" 1
229 1 18 TRP QB 1 18 TRP HD1 3.620 . 3.620 2.663 2.598 2.779 . 0 0 "[ . 1 . 2]" 1
230 1 18 TRP QB 1 19 LYS H 3.380 . 3.380 2.529 2.366 2.742 . 0 0 "[ . 1 . 2]" 1
231 1 18 TRP HD1 1 76 THR HG1 5.130 . 5.130 4.333 3.889 4.918 . 0 0 "[ . 1 . 2]" 1
232 1 18 TRP HE1 1 46 LEU QD 3.790 . 3.790 3.160 2.060 4.032 0.242 8 0 "[ . 1 . 2]" 1
233 1 18 TRP HE1 1 74 VAL QG 4.790 . 4.790 4.424 3.693 4.795 0.005 2 0 "[ . 1 . 2]" 1
234 1 18 TRP HE1 1 76 THR HA 4.830 . 4.830 3.668 2.419 4.305 . 0 0 "[ . 1 . 2]" 1
235 1 18 TRP HE1 1 76 THR HG1 3.800 . 3.800 3.653 3.378 3.973 0.173 10 0 "[ . 1 . 2]" 1
236 1 18 TRP HE1 1 77 ASN H 4.950 . 4.950 4.169 2.408 5.042 0.092 1 0 "[ . 1 . 2]" 1
237 1 18 TRP HE1 1 80 ILE MD 4.500 . 4.500 3.623 1.776 4.550 0.050 19 0 "[ . 1 . 2]" 1
238 1 18 TRP HH2 1 74 VAL QG 3.600 . 3.600 3.529 2.800 3.917 0.317 10 0 "[ . 1 . 2]" 1
239 1 18 TRP HH2 1 76 THR HA 4.370 . 4.370 3.739 3.163 4.434 0.064 6 0 "[ . 1 . 2]" 1
240 1 18 TRP HH2 1 76 THR HG1 4.730 . 4.730 4.256 2.442 4.820 0.090 9 0 "[ . 1 . 2]" 1
241 1 18 TRP HZ2 1 46 LEU QD . . 3.490 2.730 2.259 3.546 0.056 16 0 "[ . 1 . 2]" 1
242 1 18 TRP HZ2 1 74 VAL QG 3.320 . 3.320 2.809 2.536 3.035 . 0 0 "[ . 1 . 2]" 1
243 1 18 TRP HZ2 1 76 THR HA 3.910 . 3.910 2.899 2.625 3.191 . 0 0 "[ . 1 . 2]" 1
244 1 18 TRP HZ2 1 76 THR HG1 5.340 . 5.340 3.535 2.810 3.985 . 0 0 "[ . 1 . 2]" 1
245 1 18 TRP HZ2 1 80 ILE MD 5.160 . 5.160 3.221 2.762 3.851 . 0 0 "[ . 1 . 2]" 1
246 1 19 LYS H 1 19 LYS QG 3.630 . 3.630 2.750 2.054 3.973 0.343 12 0 "[ . 1 . 2]" 1
247 1 19 LYS H 1 20 TYR H 3.470 . 3.470 2.715 2.615 2.851 . 0 0 "[ . 1 . 2]" 1
248 1 19 LYS H 1 21 TRP H 4.810 . 4.810 4.108 3.970 4.182 . 0 0 "[ . 1 . 2]" 1
249 1 19 LYS HA 1 19 LYS QG 3.450 . 3.450 2.400 2.341 2.777 . 0 0 "[ . 1 . 2]" 1
250 1 19 LYS HA 1 22 ASN H 4.570 . 4.570 3.697 3.539 4.005 . 0 0 "[ . 1 . 2]" 1
251 1 19 LYS QG 1 20 TYR H 4.570 . 4.570 3.900 3.427 4.140 . 0 0 "[ . 1 . 2]" 1
252 1 20 TYR H 1 20 TYR QB . . 3.250 2.279 2.179 2.406 . 0 0 "[ . 1 . 2]" 1
253 1 20 TYR H 1 21 TRP H 3.640 . 3.640 2.644 2.556 2.709 . 0 0 "[ . 1 . 2]" 1
254 1 20 TYR H 1 22 ASN H 4.160 . 4.160 3.923 3.816 3.982 . 0 0 "[ . 1 . 2]" 1
255 1 20 TYR QB 1 21 TRP H 4.000 . 4.000 2.564 2.471 2.682 . 0 0 "[ . 1 . 2]" 1
256 1 21 TRP H 1 21 TRP QB . . 3.100 2.241 2.206 2.261 . 0 0 "[ . 1 . 2]" 1
257 1 21 TRP H 1 22 ASN H 3.590 . 3.590 2.614 2.538 2.698 . 0 0 "[ . 1 . 2]" 1
258 1 21 TRP H 1 23 GLU H 5.050 . 5.050 4.020 3.894 4.137 . 0 0 "[ . 1 . 2]" 1
259 1 21 TRP H 1 27 ILE MD 6.000 . 6.000 5.797 5.185 6.093 0.093 14 0 "[ . 1 . 2]" 1
260 1 21 TRP H 1 103 ILE MD 6.000 . 6.000 5.903 5.552 6.043 0.043 7 0 "[ . 1 . 2]" 1
261 1 21 TRP HA 1 23 GLU H 5.970 . 5.970 4.496 4.301 4.717 . 0 0 "[ . 1 . 2]" 1
262 1 21 TRP HA 1 30 TRP HE1 4.950 . 4.950 4.975 4.716 5.131 0.181 8 0 "[ . 1 . 2]" 1
263 1 21 TRP HA 1 30 TRP HZ2 3.560 . 3.560 3.702 3.557 3.885 0.325 3 0 "[ . 1 . 2]" 1
264 1 21 TRP QB 1 21 TRP HE1 4.640 . 4.640 4.432 4.418 4.443 . 0 0 "[ . 1 . 2]" 1
265 1 21 TRP QB 1 22 ASN H . . 3.490 3.065 2.987 3.153 . 0 0 "[ . 1 . 2]" 1
266 1 21 TRP HD1 1 22 ASN H 5.210 . 5.210 4.642 4.236 5.140 . 0 0 "[ . 1 . 2]" 1
267 1 21 TRP HD1 1 22 ASN QD 3.750 . 3.750 2.607 2.177 3.794 0.044 17 0 "[ . 1 . 2]" 1
268 1 21 TRP HD1 1 80 ILE MD 3.270 . 3.270 3.092 2.880 3.294 0.024 8 0 "[ . 1 . 2]" 1
269 1 21 TRP HD1 1 92 ILE HB 5.850 . 5.850 5.863 5.610 5.950 0.100 16 0 "[ . 1 . 2]" 1
270 1 21 TRP HD1 1 92 ILE MD 4.590 . 4.590 4.067 3.777 4.550 . 0 0 "[ . 1 . 2]" 1
271 1 21 TRP HD1 1 92 ILE MG 4.380 . 4.380 4.208 3.891 4.380 . 12 0 "[ . 1 . 2]" 1
272 1 21 TRP HD1 1 103 ILE MD 5.460 . 5.460 5.532 5.441 5.624 0.164 6 0 "[ . 1 . 2]" 1
273 1 21 TRP HD1 1 103 ILE MG 5.320 . 5.320 5.362 5.269 5.492 0.172 5 0 "[ . 1 . 2]" 1
274 1 21 TRP HE1 1 22 ASN QD 5.750 . 5.750 4.632 4.054 5.919 0.169 17 0 "[ . 1 . 2]" 1
275 1 21 TRP HE1 1 80 ILE MD 4.120 . 4.120 4.058 3.715 4.185 0.065 1 0 "[ . 1 . 2]" 1
276 1 21 TRP HE1 1 80 ILE MG 5.110 . 5.110 4.761 4.258 5.124 0.014 7 0 "[ . 1 . 2]" 1
277 1 21 TRP HE1 1 92 ILE MD 3.350 . 3.350 2.231 1.872 2.619 . 0 0 "[ . 1 . 2]" 1
278 1 21 TRP HE1 1 92 ILE QG 5.070 . 5.070 4.348 3.894 4.733 . 0 0 "[ . 1 . 2]" 1
279 1 21 TRP HE1 1 92 ILE MG 4.360 . 4.360 2.986 2.614 3.367 . 0 0 "[ . 1 . 2]" 1
280 1 21 TRP HE1 1 103 ILE MG 5.110 . 5.110 4.499 4.218 4.697 . 0 0 "[ . 1 . 2]" 1
281 1 21 TRP HH2 1 92 ILE MG 5.930 . 5.930 5.627 5.221 5.937 0.007 3 0 "[ . 1 . 2]" 1
282 1 21 TRP HH2 1 103 ILE MG 4.550 . 4.550 4.155 3.478 4.651 0.101 14 0 "[ . 1 . 2]" 1
283 1 21 TRP HH2 1 126 LEU QD 3.940 . 3.940 3.489 3.228 3.876 . 0 0 "[ . 1 . 2]" 1
284 1 21 TRP HZ2 1 92 ILE MD 3.390 . 3.390 3.223 2.948 3.427 0.037 9 0 "[ . 1 . 2]" 1
285 1 21 TRP HZ2 1 92 ILE MG 5.340 . 5.340 3.974 3.527 4.349 . 0 0 "[ . 1 . 2]" 1
286 1 21 TRP HZ2 1 126 LEU QD 5.240 . 5.240 4.876 4.550 5.212 . 0 0 "[ . 1 . 2]" 1
287 1 21 TRP HZ3 1 103 ILE MD 4.860 . 4.860 3.765 3.089 4.186 . 0 0 "[ . 1 . 2]" 1
288 1 22 ASN H 1 22 ASN QB . . 3.180 2.432 2.300 2.520 . 0 0 "[ . 1 . 2]" 1
289 1 22 ASN H 1 22 ASN QD 4.200 . 4.200 3.025 2.119 3.782 . 0 0 "[ . 1 . 2]" 1
290 1 22 ASN H 1 23 GLU H 3.350 . 3.350 2.077 1.937 2.187 . 0 0 "[ . 1 . 2]" 1
291 1 22 ASN HA 1 27 ILE MD 3.710 . 3.710 3.192 2.664 3.644 . 0 0 "[ . 1 . 2]" 1
292 1 22 ASN HA 1 44 ASN HD21 4.550 . 4.550 3.683 2.790 4.360 . 0 0 "[ . 1 . 2]" 1
293 1 22 ASN HA 1 44 ASN QD 3.980 . 3.980 3.277 2.473 3.893 . 0 0 "[ . 1 . 2]" 1
294 1 22 ASN HA 1 44 ASN HD22 4.550 . 4.550 3.691 2.641 4.528 . 0 0 "[ . 1 . 2]" 1
295 1 22 ASN QB 1 23 GLU H . . 2.780 2.889 2.752 2.973 0.193 13 0 "[ . 1 . 2]" 1
296 1 22 ASN QB 1 44 ASN QD 4.500 . 4.500 3.800 2.764 4.571 0.071 8 0 "[ . 1 . 2]" 1
297 1 22 ASN QB 1 46 LEU QD 3.680 . 3.680 2.298 2.077 2.664 . 0 0 "[ . 1 . 2]" 1
298 1 22 ASN QD 1 46 LEU QD 3.940 . 3.940 3.130 2.561 3.779 . 0 0 "[ . 1 . 2]" 1
299 1 22 ASN QD 1 80 ILE MD 3.810 . 3.810 2.396 1.786 2.976 0.014 9 0 "[ . 1 . 2]" 1
300 1 23 GLU H 1 27 ILE MD 4.650 . 4.650 4.255 3.821 4.539 . 0 0 "[ . 1 . 2]" 1
301 1 24 PRO HA 1 27 ILE H 4.190 . 4.190 3.387 3.213 3.647 . 0 0 "[ . 1 . 2]" 1
302 1 24 PRO HA 1 27 ILE HB 3.470 . 3.470 2.824 2.484 3.077 . 0 0 "[ . 1 . 2]" 1
303 1 24 PRO HA 1 27 ILE MD 3.420 . 3.420 2.468 2.404 2.688 . 0 0 "[ . 1 . 2]" 1
304 1 24 PRO HA 1 27 ILE MG 4.230 . 4.230 4.229 3.943 4.378 0.148 2 0 "[ . 1 . 2]" 1
305 1 24 PRO HA 1 28 MET H 4.570 . 4.570 4.079 3.646 4.493 . 0 0 "[ . 1 . 2]" 1
306 1 25 ALA H 1 25 ALA MB 2.700 . 2.700 2.237 2.224 2.244 . 0 0 "[ . 1 . 2]" 1
307 1 25 ALA H 1 26 HIS H 3.460 . 3.460 2.721 2.672 2.781 . 0 0 "[ . 1 . 2]" 1
308 1 25 ALA H 1 27 ILE H 4.580 . 4.580 4.324 4.232 4.433 . 0 0 "[ . 1 . 2]" 1
309 1 25 ALA HA 1 28 MET H 4.910 . 4.910 3.923 3.620 4.126 . 0 0 "[ . 1 . 2]" 1
310 1 25 ALA HA 1 28 MET ME 4.060 . 4.060 3.446 2.410 4.175 0.115 20 0 "[ . 1 . 2]" 1
311 1 25 ALA MB 1 26 HIS H 3.510 . 3.510 2.664 2.517 2.807 . 0 0 "[ . 1 . 2]" 1
312 1 26 HIS H 1 26 HIS QB . . 3.210 2.357 2.269 2.464 . 0 0 "[ . 1 . 2]" 1
313 1 26 HIS H 1 27 ILE H 3.210 . 3.210 2.599 2.510 2.712 . 0 0 "[ . 1 . 2]" 1
314 1 26 HIS H 1 27 ILE QG 4.290 . 4.290 4.176 3.945 4.407 0.117 17 0 "[ . 1 . 2]" 1
315 1 26 HIS HA 1 30 TRP HE1 5.400 . 5.400 4.623 4.373 4.926 . 0 0 "[ . 1 . 2]" 1
316 1 26 HIS QB 1 27 ILE H . . 3.880 2.594 2.473 2.765 . 0 0 "[ . 1 . 2]" 1
317 1 26 HIS QB 1 30 TRP HD1 4.620 . 4.620 4.315 3.795 4.858 0.238 13 0 "[ . 1 . 2]" 1
318 1 26 HIS QB 1 30 TRP HE1 3.930 . 3.930 3.379 2.846 3.743 . 0 0 "[ . 1 . 2]" 1
319 1 27 ILE H 1 27 ILE HB 4.190 . 4.190 2.451 2.389 2.487 . 0 0 "[ . 1 . 2]" 1
320 1 27 ILE H 1 27 ILE MD 3.870 . 3.870 3.429 3.360 3.528 . 0 0 "[ . 1 . 2]" 1
321 1 27 ILE H 1 27 ILE QG 3.770 . 3.770 2.153 2.078 2.254 . 0 0 "[ . 1 . 2]" 1
322 1 27 ILE H 1 27 ILE MG 4.190 . 4.190 3.785 3.773 3.804 . 0 0 "[ . 1 . 2]" 1
323 1 27 ILE H 1 28 MET H 3.690 . 3.690 2.773 2.702 2.864 . 0 0 "[ . 1 . 2]" 1
324 1 27 ILE H 1 30 TRP HE1 5.080 . 5.080 4.168 3.913 4.422 . 0 0 "[ . 1 . 2]" 1
325 1 27 ILE H 1 30 TRP HZ2 6.000 . 6.000 5.623 5.144 6.023 0.023 5 0 "[ . 1 . 2]" 1
326 1 27 ILE HA 1 27 ILE MD 4.410 . 4.410 3.855 3.844 3.866 . 0 0 "[ . 1 . 2]" 1
327 1 27 ILE HA 1 27 ILE QG 3.790 . 3.790 2.407 2.384 2.431 . 0 0 "[ . 1 . 2]" 1
328 1 27 ILE HA 1 27 ILE MG 3.650 . 3.650 2.454 2.427 2.501 . 0 0 "[ . 1 . 2]" 1
329 1 27 ILE HA 1 29 LYS H 4.420 . 4.420 3.743 3.476 4.096 . 0 0 "[ . 1 . 2]" 1
330 1 27 ILE HA 1 30 TRP H 4.500 . 4.500 3.583 3.310 3.884 . 0 0 "[ . 1 . 2]" 1
331 1 27 ILE HA 1 30 TRP HE1 3.960 . 3.960 2.550 2.325 2.759 . 0 0 "[ . 1 . 2]" 1
332 1 27 ILE HA 1 30 TRP HZ2 5.020 . 5.020 3.620 2.962 3.897 . 0 0 "[ . 1 . 2]" 1
333 1 27 ILE HA 1 31 CYS H 4.810 . 4.810 4.367 3.869 4.607 . 0 0 "[ . 1 . 2]" 1
334 1 27 ILE HB 1 27 ILE MD 3.040 . 3.040 2.329 2.303 2.347 . 0 0 "[ . 1 . 2]" 1
335 1 27 ILE HB 1 28 MET H 3.440 . 3.440 2.553 2.433 2.719 . 0 0 "[ . 1 . 2]" 1
336 1 27 ILE MD 1 27 ILE MG 3.070 . 3.070 1.948 1.921 1.999 . 0 0 "[ . 1 . 2]" 1
337 1 27 ILE MD 1 28 MET H 4.850 . 4.850 4.456 4.352 4.631 . 0 0 "[ . 1 . 2]" 1
338 1 27 ILE MD 1 30 TRP HE1 5.240 . 5.240 5.155 4.875 5.400 0.160 19 0 "[ . 1 . 2]" 1
339 1 27 ILE MD 1 30 TRP HZ2 4.870 . 4.870 4.496 3.965 4.903 0.033 18 0 "[ . 1 . 2]" 1
340 1 27 ILE MD 1 44 ASN QB 4.310 . 4.310 3.714 2.667 4.268 . 0 0 "[ . 1 . 2]" 1
341 1 27 ILE MD 1 44 ASN QD 4.220 . 4.220 3.171 2.439 3.598 . 0 0 "[ . 1 . 2]" 1
342 1 27 ILE QG 1 30 TRP HE1 4.510 . 4.510 3.489 3.199 3.750 . 0 0 "[ . 1 . 2]" 1
343 1 27 ILE QG 1 30 TRP HZ2 4.340 . 4.340 3.036 2.480 3.449 . 0 0 "[ . 1 . 2]" 1
344 1 27 ILE MG 1 28 MET H 4.110 . 4.110 3.309 3.198 3.409 . 0 0 "[ . 1 . 2]" 1
345 1 27 ILE MG 1 28 MET HA 4.730 . 4.730 3.368 3.286 3.468 . 0 0 "[ . 1 . 2]" 1
346 1 27 ILE MG 1 30 TRP HE1 5.120 . 5.120 4.369 4.113 4.644 . 0 0 "[ . 1 . 2]" 1
347 1 27 ILE MG 1 31 CYS H 4.250 . 4.250 3.946 3.611 4.327 0.077 18 0 "[ . 1 . 2]" 1
348 1 27 ILE MG 1 31 CYS HA 4.890 . 4.890 3.138 2.526 3.969 . 0 0 "[ . 1 . 2]" 1
349 1 27 ILE MG 1 39 VAL QG 4.380 . 4.380 3.956 3.504 4.344 . 0 0 "[ . 1 . 2]" 1
350 1 28 MET H 1 28 MET QB . . 3.190 2.482 2.254 2.647 . 0 0 "[ . 1 . 2]" 1
351 1 28 MET H 1 28 MET ME 4.750 . 4.750 4.276 3.380 4.798 0.048 12 0 "[ . 1 . 2]" 1
352 1 28 MET H 1 39 VAL QG 4.960 . 4.960 4.273 3.974 4.950 . 0 0 "[ . 1 . 2]" 1
353 1 28 MET HA 1 39 VAL HB 4.080 . 4.080 3.724 2.760 4.213 0.133 14 0 "[ . 1 . 2]" 1
354 1 28 MET HA 1 39 VAL QG . . 3.140 2.403 2.083 3.010 . 0 0 "[ . 1 . 2]" 1
355 1 28 MET QB 1 29 LYS H 4.590 . 4.590 3.625 3.020 3.866 . 0 0 "[ . 1 . 2]" 1
356 1 28 MET QB 1 30 TRP H 5.760 . 5.760 5.171 4.897 5.493 . 0 0 "[ . 1 . 2]" 1
357 1 28 MET QB 1 41 ALA H 5.730 . 5.730 5.127 4.432 5.849 0.119 17 0 "[ . 1 . 2]" 1
358 1 28 MET QB 1 42 ALA H 4.680 . 4.680 4.808 4.506 5.220 0.540 1 1 "[+ . 1 . 2]" 1
359 1 28 MET ME 1 41 ALA H 4.970 . 4.970 4.375 3.586 5.101 0.131 2 0 "[ . 1 . 2]" 1
360 1 28 MET ME 1 41 ALA HA 3.620 . 3.620 3.171 2.166 3.620 . 14 0 "[ . 1 . 2]" 1
361 1 28 MET ME 1 42 ALA H 3.680 . 3.680 3.381 2.685 3.910 0.230 7 0 "[ . 1 . 2]" 1
362 1 29 LYS H 1 29 LYS QD 4.670 . 4.670 4.456 3.803 4.760 0.090 10 0 "[ . 1 . 2]" 1
363 1 29 LYS H 1 29 LYS QG . . 3.890 3.884 2.068 4.034 0.144 3 0 "[ . 1 . 2]" 1
364 1 29 LYS H 1 30 TRP H 3.140 . 3.140 2.460 2.251 2.741 . 0 0 "[ . 1 . 2]" 1
365 1 29 LYS H 1 30 TRP QB 5.570 . 5.570 5.014 4.847 5.308 . 0 0 "[ . 1 . 2]" 1
366 1 29 LYS H 1 31 CYS H 4.240 . 4.240 3.700 3.370 3.866 . 0 0 "[ . 1 . 2]" 1
367 1 29 LYS HA 1 29 LYS QD 3.930 . 3.930 3.989 3.942 4.193 0.263 11 0 "[ . 1 . 2]" 1
368 1 29 LYS HA 1 29 LYS QG 3.450 . 3.450 2.340 2.303 2.386 . 0 0 "[ . 1 . 2]" 1
369 1 29 LYS QD 1 30 TRP HD1 4.320 . 4.320 3.818 3.474 4.054 . 0 0 "[ . 1 . 2]" 1
370 1 29 LYS QG 1 30 TRP H 3.820 . 3.820 3.925 3.650 4.039 0.219 14 0 "[ . 1 . 2]" 1
371 1 29 LYS QG 1 30 TRP HD1 4.980 . 4.980 4.000 3.789 4.338 . 0 0 "[ . 1 . 2]" 1
372 1 30 TRP H 1 30 TRP HD1 3.830 . 3.830 2.671 2.441 2.906 . 0 0 "[ . 1 . 2]" 1
373 1 30 TRP H 1 31 CYS H 3.210 . 3.210 2.211 1.986 2.475 . 0 0 "[ . 1 . 2]" 1
374 1 30 TRP H 1 39 VAL QG 5.050 . 5.050 4.941 4.228 5.410 0.360 14 0 "[ . 1 . 2]" 1
375 1 30 TRP QB 1 31 CYS H 4.400 . 4.400 4.039 3.847 4.095 . 0 0 "[ . 1 . 2]" 1
376 1 30 TRP HE3 1 31 CYS HA 4.160 . 4.160 4.051 3.066 4.358 0.198 11 0 "[ . 1 . 2]" 1
377 1 30 TRP HE3 1 32 GLN H 4.460 . 4.460 4.381 3.323 5.092 0.632 11 1 "[ . 1+ . 2]" 1
378 1 30 TRP HE3 1 33 ALA MB 3.730 . 3.730 2.692 2.415 4.221 0.491 14 0 "[ . 1 . 2]" 1
379 1 30 TRP HZ3 1 31 CYS HA 4.910 . 4.910 4.709 3.716 5.054 0.144 13 0 "[ . 1 . 2]" 1
380 1 30 TRP HZ3 1 33 ALA MB 3.860 . 3.860 3.940 3.804 4.085 0.225 6 0 "[ . 1 . 2]" 1
381 1 31 CYS H 1 32 GLN H 4.660 . 4.660 4.500 3.829 4.608 . 0 0 "[ . 1 . 2]" 1
382 1 31 CYS H 1 39 VAL QG 4.040 . 4.040 3.646 2.943 4.059 0.019 14 0 "[ . 1 . 2]" 1
383 1 31 CYS HA 1 32 GLN H 3.190 . 3.190 2.248 2.142 3.171 . 0 0 "[ . 1 . 2]" 1
384 1 32 GLN H 1 33 ALA H 4.480 . 4.480 3.027 2.411 3.336 . 0 0 "[ . 1 . 2]" 1
385 1 32 GLN H 1 33 ALA MB 4.660 . 4.660 4.218 3.642 4.718 0.058 11 0 "[ . 1 . 2]" 1
386 1 32 GLN HA 1 33 ALA H 3.400 . 3.400 3.365 2.420 3.517 0.117 17 0 "[ . 1 . 2]" 1
387 1 32 GLN HA 1 34 SER H 4.530 . 4.530 4.324 2.860 4.665 0.135 11 0 "[ . 1 . 2]" 1
388 1 32 GLN HA 1 125 ILE MD 5.790 . 5.790 2.879 2.147 5.996 0.206 3 0 "[ . 1 . 2]" 1
389 1 32 GLN QG 1 33 ALA H 4.220 . 4.220 4.108 3.904 4.465 0.245 11 0 "[ . 1 . 2]" 1
390 1 32 GLN QG 1 34 SER H 4.470 . 4.470 3.745 2.900 4.584 0.114 20 0 "[ . 1 . 2]" 1
391 1 33 ALA H 1 33 ALA MB 3.170 . 3.170 2.778 2.177 2.902 . 0 0 "[ . 1 . 2]" 1
392 1 33 ALA H 1 34 SER H 3.370 . 3.370 2.723 2.603 2.798 . 0 0 "[ . 1 . 2]" 1
393 1 33 ALA H 1 125 ILE MD 4.490 . 4.490 4.235 3.557 4.815 0.325 4 0 "[ . 1 . 2]" 1
394 1 33 ALA MB 1 34 SER H 3.720 . 3.720 3.618 3.201 3.721 0.001 17 0 "[ . 1 . 2]" 1
395 1 33 ALA MB 1 125 ILE HB 4.240 . 4.240 3.353 2.250 4.246 0.006 7 0 "[ . 1 . 2]" 1
396 1 34 SER H 1 34 SER QB . . 3.430 2.591 2.416 3.132 . 0 0 "[ . 1 . 2]" 1
397 1 34 SER H 1 37 TRP H 4.780 . 4.780 4.760 4.386 4.940 0.160 7 0 "[ . 1 . 2]" 1
398 1 34 SER H 1 37 TRP QB . . 3.920 3.967 3.728 4.095 0.175 20 0 "[ . 1 . 2]" 1
399 1 34 SER HA 1 35 PRO QD 2.820 . 2.820 2.156 2.123 2.175 . 0 0 "[ . 1 . 2]" 1
400 1 34 SER HA 1 35 PRO QG 4.280 . 4.280 4.105 4.066 4.136 . 0 0 "[ . 1 . 2]" 1
401 1 34 SER QB 1 35 PRO QG 4.920 . 4.920 4.685 4.114 5.413 0.493 15 0 "[ . 1 . 2]" 1
402 1 34 SER QB 1 36 GLU H 4.710 . 4.710 2.994 2.539 3.600 . 0 0 "[ . 1 . 2]" 1
403 1 34 SER QB 1 37 TRP H 4.850 . 4.850 3.488 2.743 4.220 . 0 0 "[ . 1 . 2]" 1
404 1 34 SER QB 1 37 TRP HD1 4.250 . 4.250 2.663 2.192 3.103 . 0 0 "[ . 1 . 2]" 1
405 1 34 SER QB 1 37 TRP HE1 5.000 . 5.000 4.605 4.017 5.193 0.193 13 0 "[ . 1 . 2]" 1
406 1 35 PRO QD 1 36 GLU H 3.890 . 3.890 2.711 2.511 3.023 . 0 0 "[ . 1 . 2]" 1
407 1 35 PRO QD 1 36 GLU QB 4.030 . 4.030 4.090 3.729 4.463 0.433 9 0 "[ . 1 . 2]" 1
408 1 35 PRO QG 1 36 GLU H 4.650 . 4.650 3.159 2.405 4.207 . 0 0 "[ . 1 . 2]" 1
409 1 36 GLU H 1 36 GLU QB . . 3.170 2.331 2.240 2.400 . 0 0 "[ . 1 . 2]" 1
410 1 36 GLU H 1 36 GLU QG 4.090 . 4.090 2.868 2.214 4.136 0.046 6 0 "[ . 1 . 2]" 1
411 1 36 GLU H 1 37 TRP QB 4.980 . 4.980 4.407 4.222 4.600 . 0 0 "[ . 1 . 2]" 1
412 1 36 GLU H 1 37 TRP HD1 4.130 . 4.130 3.603 3.306 4.043 . 0 0 "[ . 1 . 2]" 1
413 1 36 GLU H 1 37 TRP HE1 6.000 . 6.000 5.664 5.157 6.061 0.061 16 0 "[ . 1 . 2]" 1
414 1 36 GLU HA 1 36 GLU QG 3.260 . 3.260 2.551 2.320 2.897 . 0 0 "[ . 1 . 2]" 1
415 1 36 GLU QB 1 37 TRP H 4.290 . 4.290 3.361 2.870 3.660 . 0 0 "[ . 1 . 2]" 1
416 1 36 GLU QB 1 37 TRP HD1 3.830 . 3.830 2.432 2.365 2.589 . 0 0 "[ . 1 . 2]" 1
417 1 36 GLU QB 1 37 TRP HE1 . . 4.330 3.315 2.850 3.719 . 0 0 "[ . 1 . 2]" 1
418 1 37 TRP H 1 37 TRP QB . . 3.440 2.678 2.364 2.827 . 0 0 "[ . 1 . 2]" 1
419 1 37 TRP H 1 37 TRP HD1 4.280 . 4.280 3.219 2.502 3.584 . 0 0 "[ . 1 . 2]" 1
420 1 37 TRP H 1 38 HIS H 4.870 . 4.870 4.408 4.312 4.540 . 0 0 "[ . 1 . 2]" 1
421 1 37 TRP HA 1 38 HIS H 3.210 . 3.210 2.285 2.163 2.427 . 0 0 "[ . 1 . 2]" 1
422 1 37 TRP HA 1 58 ALA HA 3.380 . 3.380 2.439 2.400 2.615 . 0 0 "[ . 1 . 2]" 1
423 1 37 TRP HA 1 58 ALA MB 4.260 . 4.260 3.925 3.717 4.031 . 0 0 "[ . 1 . 2]" 1
424 1 37 TRP HA 1 59 LYS H 3.950 . 3.950 3.127 2.776 3.671 . 0 0 "[ . 1 . 2]" 1
425 1 37 TRP QB 1 38 HIS H 3.500 . 3.500 2.594 2.267 2.984 . 0 0 "[ . 1 . 2]" 1
426 1 37 TRP QB 1 57 ALA H 5.990 . 5.990 4.534 4.183 4.938 . 0 0 "[ . 1 . 2]" 1
427 1 37 TRP HD1 1 63 MET QB 3.860 . 3.860 2.763 2.167 3.419 . 0 0 "[ . 1 . 2]" 1
428 1 37 TRP HD1 1 58 ALA HA 5.350 . 5.350 5.340 5.100 5.502 0.152 13 0 "[ . 1 . 2]" 1
429 1 37 TRP HD1 1 58 ALA MB 5.350 . 5.350 5.369 5.158 5.459 0.109 3 0 "[ . 1 . 2]" 1
430 1 37 TRP HE1 1 58 ALA MB 4.720 . 4.720 4.705 4.300 4.851 0.131 4 0 "[ . 1 . 2]" 1
431 1 37 TRP HH2 1 63 MET QB 3.940 . 3.940 2.766 2.168 3.428 . 0 0 "[ . 1 . 2]" 1
432 1 37 TRP HH2 1 63 MET ME 3.670 . 3.670 2.852 2.185 3.676 0.006 14 0 "[ . 1 . 2]" 1
433 1 37 TRP HH2 1 63 MET QG . . 3.850 2.969 2.299 3.731 . 0 0 "[ . 1 . 2]" 1
434 1 37 TRP HZ2 1 63 MET QB 3.850 . 3.850 3.899 3.568 3.994 0.144 13 0 "[ . 1 . 2]" 1
435 1 37 TRP HZ2 1 63 MET ME 4.450 . 4.450 3.543 2.299 4.481 0.031 6 0 "[ . 1 . 2]" 1
436 1 37 TRP HZ2 1 63 MET QG 4.980 . 4.980 4.585 2.967 5.010 0.030 12 0 "[ . 1 . 2]" 1
437 1 37 TRP HZ3 1 63 MET QG 4.630 . 4.630 4.318 3.747 4.868 0.238 10 0 "[ . 1 . 2]" 1
438 1 38 HIS H 1 39 VAL H 4.780 . 4.780 4.397 4.330 4.460 . 0 0 "[ . 1 . 2]" 1
439 1 38 HIS H 1 39 VAL QG 5.580 . 5.580 4.591 3.850 5.341 . 0 0 "[ . 1 . 2]" 1
440 1 38 HIS H 1 57 ALA H 3.830 . 3.830 3.421 2.988 3.809 . 0 0 "[ . 1 . 2]" 1
441 1 38 HIS H 1 57 ALA MB 4.880 . 4.880 4.641 4.327 4.935 0.055 10 0 "[ . 1 . 2]" 1
442 1 38 HIS H 1 58 ALA HA 4.770 . 4.770 3.630 3.293 3.854 . 0 0 "[ . 1 . 2]" 1
443 1 38 HIS H 1 58 ALA MB 5.010 . 5.010 5.079 4.813 5.238 0.228 1 0 "[ . 1 . 2]" 1
444 1 38 HIS H 1 59 LYS H 4.440 . 4.440 4.401 4.064 4.564 0.124 16 0 "[ . 1 . 2]" 1
445 1 38 HIS HA 1 39 VAL H 3.370 . 3.370 2.365 2.236 2.417 . 0 0 "[ . 1 . 2]" 1
446 1 38 HIS QB 1 39 VAL H 3.310 . 3.310 3.062 2.486 3.324 0.014 3 0 "[ . 1 . 2]" 1
447 1 38 HIS QB 1 39 VAL QG 5.270 . 5.270 4.291 3.821 4.478 . 0 0 "[ . 1 . 2]" 1
448 1 38 HIS QB 1 59 LYS QG 4.610 . 4.610 3.778 2.387 4.800 0.190 8 0 "[ . 1 . 2]" 1
449 1 39 VAL H 1 39 VAL HB 3.550 . 3.550 2.871 2.602 3.216 . 0 0 "[ . 1 . 2]" 1
450 1 39 VAL H 1 39 VAL QG . . 3.330 2.318 1.854 2.870 . 0 0 "[ . 1 . 2]" 1
451 1 39 VAL H 1 40 PRO QD 4.990 . 4.990 3.662 3.411 3.856 . 0 0 "[ . 1 . 2]" 1
452 1 39 VAL HA 1 39 VAL QG . . 3.140 2.191 2.078 2.336 . 0 0 "[ . 1 . 2]" 1
453 1 39 VAL HA 1 40 PRO QD . . 3.620 2.176 2.130 2.204 . 0 0 "[ . 1 . 2]" 1
454 1 39 VAL HA 1 41 ALA H 4.310 . 4.310 3.332 3.252 3.425 . 0 0 "[ . 1 . 2]" 1
455 1 39 VAL HA 1 57 ALA H 4.030 . 4.030 3.865 3.527 4.191 0.161 3 0 "[ . 1 . 2]" 1
456 1 39 VAL HB 1 41 ALA H 4.980 . 4.980 4.610 4.313 5.028 0.048 3 0 "[ . 1 . 2]" 1
457 1 39 VAL QG 1 40 PRO QD 3.650 . 3.650 3.151 3.007 3.272 . 0 0 "[ . 1 . 2]" 1
458 1 39 VAL QG 1 41 ALA H 3.150 . 3.150 2.511 2.370 2.684 . 0 0 "[ . 1 . 2]" 1
459 1 39 VAL QG 1 41 ALA HA 4.230 . 4.230 3.659 3.400 3.890 . 0 0 "[ . 1 . 2]" 1
460 1 39 VAL QG 1 42 ALA H 4.640 . 4.640 4.062 3.932 4.228 . 0 0 "[ . 1 . 2]" 1
461 1 39 VAL QG 1 55 THR H 4.190 . 4.190 3.756 3.428 4.422 0.232 3 0 "[ . 1 . 2]" 1
462 1 39 VAL QG 1 55 THR HB 5.030 . 5.030 4.028 3.701 4.525 . 0 0 "[ . 1 . 2]" 1
463 1 39 VAL QG 1 57 ALA H . . 5.190 4.578 3.861 5.333 0.143 3 0 "[ . 1 . 2]" 1
464 1 40 PRO QB 1 41 ALA H 3.820 . 3.820 3.663 3.049 3.793 . 0 0 "[ . 1 . 2]" 1
465 1 40 PRO QD 1 41 ALA H 4.280 . 4.280 2.584 2.377 2.723 . 0 0 "[ . 1 . 2]" 1
466 1 40 PRO QD 1 55 THR HG1 4.020 . 4.020 2.982 2.882 3.131 . 0 0 "[ . 1 . 2]" 1
467 1 40 PRO QD 1 57 ALA H . . 4.010 3.177 2.830 3.362 . 0 0 "[ . 1 . 2]" 1
468 1 40 PRO QD 1 57 ALA MB . . 3.830 3.456 2.818 3.818 . 0 0 "[ . 1 . 2]" 1
469 1 40 PRO QG 1 41 ALA H . . 3.660 3.104 2.735 4.023 0.363 6 0 "[ . 1 . 2]" 1
470 1 40 PRO QG 1 55 THR HB 4.350 . 4.350 3.450 2.547 4.440 0.090 6 0 "[ . 1 . 2]" 1
471 1 40 PRO QG 1 55 THR HG1 3.830 . 3.830 2.719 2.216 3.279 . 0 0 "[ . 1 . 2]" 1
472 1 40 PRO QG 1 57 ALA H . . 4.360 4.438 3.737 4.657 0.297 13 0 "[ . 1 . 2]" 1
473 1 40 PRO QG 1 57 ALA MB 3.930 . 3.930 3.415 2.932 3.814 . 0 0 "[ . 1 . 2]" 1
474 1 41 ALA H 1 41 ALA MB 3.200 . 3.200 2.839 2.797 2.917 . 0 0 "[ . 1 . 2]" 1
475 1 41 ALA H 1 42 ALA H 4.570 . 4.570 4.283 4.249 4.335 . 0 0 "[ . 1 . 2]" 1
476 1 41 ALA H 1 55 THR H 4.370 . 4.370 4.481 4.361 4.602 0.232 8 0 "[ . 1 . 2]" 1
477 1 41 ALA H 1 55 THR HB 3.180 . 3.180 3.265 3.209 3.340 0.160 20 0 "[ . 1 . 2]" 1
478 1 41 ALA H 1 55 THR HG1 4.070 . 4.070 3.993 3.857 4.106 0.036 9 0 "[ . 1 . 2]" 1
479 1 41 ALA HA 1 42 ALA H 2.710 . 2.710 2.285 2.241 2.361 . 0 0 "[ . 1 . 2]" 1
480 1 41 ALA MB 1 42 ALA H 2.970 . 2.970 2.624 2.433 2.756 . 0 0 "[ . 1 . 2]" 1
481 1 41 ALA MB 1 55 THR H 4.200 . 4.200 3.868 3.619 4.142 . 0 0 "[ . 1 . 2]" 1
482 1 41 ALA MB 1 55 THR HB 3.230 . 3.230 2.534 2.400 3.113 . 0 0 "[ . 1 . 2]" 1
483 1 42 ALA H 1 42 ALA MB 3.350 . 3.350 2.805 2.727 2.879 . 0 0 "[ . 1 . 2]" 1
484 1 42 ALA H 1 43 GLN H 4.400 . 4.400 4.281 4.251 4.316 . 0 0 "[ . 1 . 2]" 1
485 1 42 ALA H 1 43 GLN QG 5.180 . 5.180 3.942 3.506 5.655 0.475 2 0 "[ . 1 . 2]" 1
486 1 42 ALA HA 1 43 GLN H 2.950 . 2.950 2.251 2.201 2.317 . 0 0 "[ . 1 . 2]" 1
487 1 42 ALA HA 1 55 THR H 3.840 . 3.840 2.708 2.400 2.962 . 0 0 "[ . 1 . 2]" 1
488 1 42 ALA MB 1 43 GLN H 3.380 . 3.380 2.736 2.538 2.867 . 0 0 "[ . 1 . 2]" 1
489 1 42 ALA MB 1 53 THR H 6.000 . 6.000 5.672 5.190 5.910 . 0 0 "[ . 1 . 2]" 1
490 1 42 ALA MB 1 55 THR H 3.770 . 3.770 3.608 3.116 3.890 0.120 7 0 "[ . 1 . 2]" 1
491 1 43 GLN H 1 43 GLN QB 3.500 . 3.500 2.748 2.652 3.235 . 0 0 "[ . 1 . 2]" 1
492 1 43 GLN H 1 43 GLN QG 3.970 . 3.970 3.148 2.336 4.172 0.202 13 0 "[ . 1 . 2]" 1
493 1 43 GLN H 1 53 THR H 3.600 . 3.600 3.652 3.411 3.790 0.190 5 0 "[ . 1 . 2]" 1
494 1 43 GLN H 1 53 THR HB 4.800 . 4.800 4.573 3.914 4.939 0.139 16 0 "[ . 1 . 2]" 1
495 1 43 GLN H 1 55 THR H 4.610 . 4.610 4.335 4.049 4.586 . 0 0 "[ . 1 . 2]" 1
496 1 43 GLN QB 1 53 THR H . . 4.020 2.686 2.250 4.083 0.063 14 0 "[ . 1 . 2]" 1
497 1 43 GLN QB 1 53 THR HB 4.170 . 4.170 3.097 2.459 4.239 0.069 14 0 "[ . 1 . 2]" 1
498 1 43 GLN QG 1 53 THR H 5.150 . 5.150 4.374 2.141 5.155 0.005 6 0 "[ . 1 . 2]" 1
499 1 44 ASN H 1 45 ASP H 4.980 . 4.980 4.016 3.670 4.157 . 0 0 "[ . 1 . 2]" 1
500 1 44 ASN HA 1 45 ASP H 3.040 . 3.040 2.173 2.141 2.191 . 0 0 "[ . 1 . 2]" 1
501 1 44 ASN QD 1 46 LEU QD 4.270 . 4.270 2.853 1.933 3.620 . 0 0 "[ . 1 . 2]" 1
502 1 44 ASN QD 1 71 TYR HH 4.610 . 4.610 2.966 1.795 3.910 0.005 13 0 "[ . 1 . 2]" 1
503 1 45 ASP H 1 45 ASP QB 3.550 . 3.550 2.546 2.334 2.654 . 0 0 "[ . 1 . 2]" 1
504 1 45 ASP H 1 46 LEU H 4.300 . 4.300 3.900 3.724 4.095 . 0 0 "[ . 1 . 2]" 1
505 1 45 ASP H 1 52 PHE QB 4.900 . 4.900 2.754 2.134 3.163 . 0 0 "[ . 1 . 2]" 1
506 1 45 ASP HA 1 46 LEU H 2.900 . 2.900 2.247 2.181 2.340 . 0 0 "[ . 1 . 2]" 1
507 1 45 ASP QB 1 46 LEU H 3.940 . 3.940 3.849 3.636 4.058 0.118 9 0 "[ . 1 . 2]" 1
508 1 45 ASP QB 1 50 GLY QA 5.070 . 5.070 3.475 3.052 3.950 . 0 0 "[ . 1 . 2]" 1
509 1 45 ASP QB 1 51 THR H . . 3.910 3.483 2.859 3.897 . 0 0 "[ . 1 . 2]" 1
510 1 46 LEU H 1 46 LEU QB . . 2.940 2.272 2.153 2.771 . 0 0 "[ . 1 . 2]" 1
511 1 46 LEU H 1 46 LEU QD 4.380 . 4.380 3.218 1.830 3.742 . 0 0 "[ . 1 . 2]" 1
512 1 46 LEU H 1 46 LEU HG 4.760 . 4.760 3.940 2.046 4.514 . 0 0 "[ . 1 . 2]" 1
513 1 46 LEU H 1 47 LYS H 4.370 . 4.370 4.219 4.101 4.301 . 0 0 "[ . 1 . 2]" 1
514 1 46 LEU HA 1 46 LEU QD 3.250 . 3.250 2.295 2.062 3.389 0.139 5 0 "[ . 1 . 2]" 1
515 1 46 LEU HA 1 47 LYS H 3.070 . 3.070 2.237 2.192 2.279 . 0 0 "[ . 1 . 2]" 1
516 1 46 LEU HA 1 71 TYR QD 4.580 . 4.580 4.169 3.088 4.455 . 0 0 "[ . 1 . 2]" 1
517 1 46 LEU HA 1 71 TYR QE 3.860 . 3.860 3.848 3.125 3.976 0.116 18 0 "[ . 1 . 2]" 1
518 1 46 LEU QD 1 47 LYS H 3.900 . 3.900 3.649 3.135 4.516 0.616 5 1 "[ + 1 . 2]" 1
519 1 46 LEU QD 1 71 TYR QE 3.960 . 3.960 3.582 2.856 4.108 0.148 5 0 "[ . 1 . 2]" 1
520 1 46 LEU QD 1 71 TYR HH 4.590 . 4.590 3.694 2.681 4.469 . 0 0 "[ . 1 . 2]" 1
521 1 46 LEU QD 1 74 VAL HB 4.170 . 4.170 4.120 3.545 4.457 0.287 20 0 "[ . 1 . 2]" 1
522 1 46 LEU QD 1 74 VAL QG 2.930 . 2.930 2.130 1.868 2.399 . 0 0 "[ . 1 . 2]" 1
523 1 46 LEU QD 1 80 ILE HA 5.620 . 5.620 5.095 4.512 5.800 0.180 5 0 "[ . 1 . 2]" 1
524 1 46 LEU QD 1 80 ILE MG 3.900 . 3.900 3.025 2.415 3.763 . 0 0 "[ . 1 . 2]" 1
525 1 47 LYS H 1 48 ALA H 4.770 . 4.770 4.204 4.079 4.280 . 0 0 "[ . 1 . 2]" 1
526 1 47 LYS H 1 50 GLY H 4.460 . 4.460 4.268 3.975 4.409 . 0 0 "[ . 1 . 2]" 1
527 1 47 LYS H 1 50 GLY QA 4.650 . 4.650 3.759 3.432 3.909 . 0 0 "[ . 1 . 2]" 1
528 1 47 LYS H 1 71 TYR QD 4.040 . 4.040 3.290 2.923 3.489 . 0 0 "[ . 1 . 2]" 1
529 1 47 LYS H 1 71 TYR QE 4.500 . 4.500 4.113 3.916 4.510 0.010 10 0 "[ . 1 . 2]" 1
530 1 47 LYS H 1 74 VAL HB 5.460 . 5.460 4.891 4.439 5.337 . 0 0 "[ . 1 . 2]" 1
531 1 47 LYS H 1 74 VAL QG . . 3.830 3.131 2.605 3.842 0.012 6 0 "[ . 1 . 2]" 1
532 1 47 LYS HA 1 48 ALA H 3.090 . 3.090 2.231 2.179 2.294 . 0 0 "[ . 1 . 2]" 1
533 1 47 LYS HA 1 48 ALA MB 4.370 . 4.370 4.051 4.008 4.112 . 0 0 "[ . 1 . 2]" 1
534 1 47 LYS HA 1 74 VAL HB 5.070 . 5.070 4.071 3.227 4.887 . 0 0 "[ . 1 . 2]" 1
535 1 47 LYS HA 1 74 VAL QG 3.920 . 3.920 2.992 2.320 3.783 . 0 0 "[ . 1 . 2]" 1
536 1 48 ALA H 1 48 ALA MB 2.950 . 2.950 2.224 2.204 2.244 . 0 0 "[ . 1 . 2]" 1
537 1 48 ALA H 1 74 VAL H 4.820 . 4.820 4.876 4.678 4.942 0.122 3 0 "[ . 1 . 2]" 1
538 1 48 ALA H 1 74 VAL HB 4.810 . 4.810 4.045 3.189 4.859 0.049 9 0 "[ . 1 . 2]" 1
539 1 48 ALA H 1 74 VAL QG . . 4.030 3.164 2.263 3.984 . 0 0 "[ . 1 . 2]" 1
540 1 48 ALA HA 1 49 GLY H 3.010 . 3.010 2.206 2.158 2.225 . 0 0 "[ . 1 . 2]" 1
541 1 48 ALA HA 1 49 GLY QA 4.510 . 4.510 3.989 3.955 4.001 . 0 0 "[ . 1 . 2]" 1
542 1 48 ALA HA 1 50 GLY H 4.060 . 4.060 3.242 3.190 3.369 . 0 0 "[ . 1 . 2]" 1
543 1 48 ALA HA 1 71 TYR H 5.570 . 5.570 4.924 4.676 5.544 . 0 0 "[ . 1 . 2]" 1
544 1 48 ALA HA 1 71 TYR QB . . 3.730 2.734 2.467 3.240 . 0 0 "[ . 1 . 2]" 1
545 1 48 ALA HA 1 74 VAL H 4.880 . 4.880 4.414 4.025 4.829 . 0 0 "[ . 1 . 2]" 1
546 1 48 ALA HA 1 74 VAL QG 3.980 . 3.980 2.989 2.356 3.700 . 0 0 "[ . 1 . 2]" 1
547 1 48 ALA MB 1 49 GLY H 3.550 . 3.550 2.996 2.938 3.230 . 0 0 "[ . 1 . 2]" 1
548 1 48 ALA MB 1 49 GLY QA 4.570 . 4.570 3.714 3.685 3.815 . 0 0 "[ . 1 . 2]" 1
549 1 48 ALA MB 1 50 GLY H 4.700 . 4.700 4.175 4.112 4.315 . 0 0 "[ . 1 . 2]" 1
550 1 48 ALA MB 1 71 TYR QB 4.720 . 4.720 4.071 3.837 4.470 . 0 0 "[ . 1 . 2]" 1
551 1 48 ALA MB 1 72 ASP HA 5.120 . 5.120 5.002 4.690 5.213 0.093 1 0 "[ . 1 . 2]" 1
552 1 48 ALA MB 1 73 GLN H 5.000 . 5.000 4.892 4.697 5.049 0.049 5 0 "[ . 1 . 2]" 1
553 1 48 ALA MB 1 73 GLN HA 3.470 . 3.470 3.042 2.851 3.204 . 0 0 "[ . 1 . 2]" 1
554 1 48 ALA MB 1 74 VAL H 3.620 . 3.620 3.246 2.850 3.675 0.055 10 0 "[ . 1 . 2]" 1
555 1 48 ALA MB 1 74 VAL QG 3.750 . 3.750 3.070 2.269 3.852 0.102 10 0 "[ . 1 . 2]" 1
556 1 49 GLY H 1 50 GLY H 3.420 . 3.420 2.595 2.456 2.673 . 0 0 "[ . 1 . 2]" 1
557 1 49 GLY H 1 70 VAL QG 4.000 . 4.000 3.380 3.058 4.194 0.194 10 0 "[ . 1 . 2]" 1
558 1 49 GLY H 1 71 TYR QB . . 3.780 2.996 2.691 3.434 . 0 0 "[ . 1 . 2]" 1
559 1 49 GLY H 1 72 ASP HA 4.960 . 4.960 4.131 3.819 4.441 . 0 0 "[ . 1 . 2]" 1
560 1 49 GLY H 1 74 VAL QG 4.920 . 4.920 4.628 4.011 5.159 0.239 10 0 "[ . 1 . 2]" 1
561 1 49 GLY QA 1 70 VAL QG 3.280 . 3.280 2.489 2.118 3.368 0.088 10 0 "[ . 1 . 2]" 1
562 1 50 GLY H 1 51 THR H 4.790 . 4.790 4.599 4.531 4.639 . 0 0 "[ . 1 . 2]" 1
563 1 50 GLY H 1 71 TYR QB 4.060 . 4.060 2.904 2.687 3.407 . 0 0 "[ . 1 . 2]" 1
564 1 50 GLY QA 1 51 THR H 3.130 . 3.130 2.252 2.182 2.307 . 0 0 "[ . 1 . 2]" 1
565 1 50 GLY QA 1 51 THR HG1 3.680 . 3.680 3.223 2.983 3.620 . 0 0 "[ . 1 . 2]" 1
566 1 51 THR H 1 51 THR HB 3.830 . 3.830 3.416 2.613 3.844 0.014 4 0 "[ . 1 . 2]" 1
567 1 51 THR H 1 51 THR HG1 3.540 . 3.540 2.365 1.946 2.791 . 0 0 "[ . 1 . 2]" 1
568 1 51 THR H 1 52 PHE H 4.900 . 4.900 4.473 4.422 4.544 . 0 0 "[ . 1 . 2]" 1
569 1 51 THR H 1 70 VAL HA 5.020 . 5.020 4.989 4.794 5.156 0.136 16 0 "[ . 1 . 2]" 1
570 1 51 THR H 1 70 VAL QG 4.580 . 4.580 4.366 4.008 4.635 0.055 14 0 "[ . 1 . 2]" 1
571 1 51 THR HA 1 51 THR HG1 3.260 . 3.260 2.479 2.124 3.009 . 0 0 "[ . 1 . 2]" 1
572 1 51 THR HA 1 52 PHE H 3.040 . 3.040 2.326 2.220 2.457 . 0 0 "[ . 1 . 2]" 1
573 1 51 THR HA 1 69 GLY H 5.190 . 5.190 4.287 4.103 4.775 . 0 0 "[ . 1 . 2]" 1
574 1 51 THR HA 1 70 VAL QG . . 3.770 3.198 2.544 3.699 . 0 0 "[ . 1 . 2]" 1
575 1 51 THR HA 1 71 TYR H 4.050 . 4.050 3.784 3.206 4.100 0.050 18 0 "[ . 1 . 2]" 1
576 1 51 THR HB 1 52 PHE H 3.540 . 3.540 3.166 2.463 3.768 0.228 15 0 "[ . 1 . 2]" 1
577 1 51 THR HB 1 70 VAL QG . . 4.190 3.609 2.365 4.412 0.222 20 0 "[ . 1 . 2]" 1
578 1 51 THR HG1 1 52 PHE H 3.970 . 3.970 2.870 1.779 3.768 0.021 10 0 "[ . 1 . 2]" 1
579 1 51 THR HG1 1 71 TYR H 5.480 . 5.480 4.765 3.995 5.713 0.233 10 0 "[ . 1 . 2]" 1
580 1 52 PHE H 1 52 PHE QD 4.730 . 4.730 2.713 2.572 2.926 . 0 0 "[ . 1 . 2]" 1
581 1 52 PHE H 1 53 THR H 5.210 . 5.210 4.426 4.377 4.461 . 0 0 "[ . 1 . 2]" 1
582 1 52 PHE H 1 69 GLY H 3.660 . 3.660 2.946 2.752 3.254 . 0 0 "[ . 1 . 2]" 1
583 1 52 PHE H 1 70 VAL HA 4.260 . 4.260 4.256 3.948 4.427 0.167 4 0 "[ . 1 . 2]" 1
584 1 52 PHE H 1 70 VAL QG . . 5.190 4.558 3.926 5.307 0.117 11 0 "[ . 1 . 2]" 1
585 1 52 PHE HA 1 53 THR H 3.110 . 3.110 2.371 2.272 2.464 . 0 0 "[ . 1 . 2]" 1
586 1 52 PHE QB 1 53 THR H . . 3.470 2.475 2.316 2.708 . 0 0 "[ . 1 . 2]" 1
587 1 52 PHE QD 1 53 THR H 5.580 . 5.580 3.271 3.064 3.483 . 0 0 "[ . 1 . 2]" 1
588 1 52 PHE QE 1 67 PHE QD 4.640 . 4.640 4.568 3.053 4.901 0.261 4 0 "[ . 1 . 2]" 1
589 1 53 THR H 1 53 THR HB 3.850 . 3.850 2.971 2.903 3.057 . 0 0 "[ . 1 . 2]" 1
590 1 53 THR H 1 53 THR HG1 4.050 . 4.050 3.446 2.934 3.699 . 0 0 "[ . 1 . 2]" 1
591 1 53 THR H 1 54 THR H 4.830 . 4.830 4.092 3.883 4.254 . 0 0 "[ . 1 . 2]" 1
592 1 53 THR HB 1 54 THR H 4.640 . 4.640 4.207 3.963 4.359 . 0 0 "[ . 1 . 2]" 1
593 1 53 THR HG1 1 54 THR H 3.530 . 3.530 2.799 2.400 3.090 . 0 0 "[ . 1 . 2]" 1
594 1 53 THR HG1 1 66 ASP HA 4.810 . 4.810 4.324 3.575 4.777 . 0 0 "[ . 1 . 2]" 1
595 1 53 THR HG1 1 66 ASP QB 4.000 . 4.000 2.993 2.382 3.800 . 0 0 "[ . 1 . 2]" 1
596 1 53 THR HG1 1 67 PHE H 4.370 . 4.370 4.272 3.720 4.450 0.080 17 0 "[ . 1 . 2]" 1
597 1 54 THR H 1 54 THR HB 3.830 . 3.830 2.895 2.571 3.817 . 0 0 "[ . 1 . 2]" 1
598 1 54 THR H 1 55 THR H 4.920 . 4.920 4.289 4.222 4.329 . 0 0 "[ . 1 . 2]" 1
599 1 54 THR H 1 67 PHE H 4.140 . 4.140 3.258 3.074 3.515 . 0 0 "[ . 1 . 2]" 1
600 1 54 THR H 1 67 PHE QB 4.950 . 4.950 3.563 3.290 3.938 . 0 0 "[ . 1 . 2]" 1
601 1 54 THR H 1 68 GLY QA 4.410 . 4.410 3.989 3.390 4.444 0.034 13 0 "[ . 1 . 2]" 1
602 1 54 THR HA 1 55 THR H 3.080 . 3.080 2.180 2.155 2.205 . 0 0 "[ . 1 . 2]" 1
603 1 54 THR HB 1 67 PHE H 5.170 . 5.170 3.623 2.886 4.778 . 0 0 "[ . 1 . 2]" 1
604 1 54 THR HB 1 67 PHE QB 4.150 . 4.150 3.078 2.422 4.270 0.120 8 0 "[ . 1 . 2]" 1
605 1 54 THR HB 1 67 PHE QD 5.190 . 5.190 3.575 2.488 4.519 . 0 0 "[ . 1 . 2]" 1
606 1 55 THR H 1 55 THR HB 3.360 . 3.360 2.530 2.507 2.556 . 0 0 "[ . 1 . 2]" 1
607 1 55 THR H 1 55 THR HG1 4.020 . 4.020 2.877 2.174 3.381 . 0 0 "[ . 1 . 2]" 1
608 1 55 THR HA 1 55 THR HG1 2.990 . 2.990 2.266 2.080 2.317 . 0 0 "[ . 1 . 2]" 1
609 1 55 THR HA 1 56 MET H 3.070 . 3.070 2.188 2.173 2.206 . 0 0 "[ . 1 . 2]" 1
610 1 55 THR HB 1 56 MET H 5.120 . 5.120 4.318 4.224 4.384 . 0 0 "[ . 1 . 2]" 1
611 1 55 THR HG1 1 56 MET H 3.500 . 3.500 3.000 2.816 3.151 . 0 0 "[ . 1 . 2]" 1
612 1 56 MET H 1 56 MET QG 4.280 . 4.280 2.845 2.202 4.115 . 0 0 "[ . 1 . 2]" 1
613 1 56 MET H 1 65 PHE H 3.770 . 3.770 3.740 3.409 3.912 0.142 19 0 "[ . 1 . 2]" 1
614 1 56 MET H 1 66 ASP HA 3.810 . 3.810 3.358 2.838 3.705 . 0 0 "[ . 1 . 2]" 1
615 1 56 MET H 1 67 PHE H 4.790 . 4.790 4.664 4.036 4.994 0.204 2 0 "[ . 1 . 2]" 1
616 1 56 MET HA 1 56 MET ME 4.450 . 4.450 4.310 3.752 4.557 0.107 5 0 "[ . 1 . 2]" 1
617 1 56 MET HA 1 57 ALA H 3.140 . 3.140 2.174 2.154 2.211 . 0 0 "[ . 1 . 2]" 1
618 1 56 MET ME 1 56 MET QG 3.430 . 3.430 2.236 2.154 2.314 . 0 0 "[ . 1 . 2]" 1
619 1 57 ALA H 1 57 ALA MB 3.350 . 3.350 2.617 2.434 2.704 . 0 0 "[ . 1 . 2]" 1
620 1 57 ALA H 1 58 ALA H 4.810 . 4.810 4.354 4.287 4.491 . 0 0 "[ . 1 . 2]" 1
621 1 57 ALA HA 1 58 ALA H 3.080 . 3.080 2.207 2.130 2.284 . 0 0 "[ . 1 . 2]" 1
622 1 57 ALA HA 1 58 ALA MB 4.080 . 4.080 4.028 3.991 4.071 . 0 0 "[ . 1 . 2]" 1
623 1 57 ALA MB 1 58 ALA H 3.310 . 3.310 2.762 2.496 2.978 . 0 0 "[ . 1 . 2]" 1
624 1 57 ALA MB 1 63 MET H 5.240 . 5.240 4.817 4.382 5.230 . 0 0 "[ . 1 . 2]" 1
625 1 57 ALA MB 1 64 SER H 5.230 . 5.230 5.034 4.497 5.350 0.120 18 0 "[ . 1 . 2]" 1
626 1 57 ALA MB 1 64 SER HA 3.620 . 3.620 3.177 2.303 3.713 0.093 18 0 "[ . 1 . 2]" 1
627 1 57 ALA MB 1 64 SER QB 3.270 . 3.270 2.625 2.040 3.188 . 0 0 "[ . 1 . 2]" 1
628 1 58 ALA H 1 58 ALA MB 3.040 . 3.040 2.250 2.229 2.269 . 0 0 "[ . 1 . 2]" 1
629 1 58 ALA H 1 59 LYS H 4.670 . 4.670 4.652 4.619 4.682 0.012 16 0 "[ . 1 . 2]" 1
630 1 58 ALA H 1 62 SER H 4.720 . 4.720 4.764 4.627 4.858 0.138 10 0 "[ . 1 . 2]" 1
631 1 58 ALA H 1 63 MET H 3.690 . 3.690 3.469 3.211 3.639 . 0 0 "[ . 1 . 2]" 1
632 1 58 ALA H 1 63 MET QB 4.290 . 4.290 3.950 2.995 4.546 0.256 20 0 "[ . 1 . 2]" 1
633 1 58 ALA H 1 63 MET QG 5.810 . 5.810 4.953 4.429 5.214 . 0 0 "[ . 1 . 2]" 1
634 1 58 ALA H 1 64 SER HA 3.670 . 3.670 3.484 3.279 3.762 0.092 4 0 "[ . 1 . 2]" 1
635 1 58 ALA H 1 64 SER QB 4.450 . 4.450 4.061 3.223 4.562 0.112 5 0 "[ . 1 . 2]" 1
636 1 58 ALA H 1 65 PHE H 5.500 . 5.500 5.334 5.109 5.565 0.065 16 0 "[ . 1 . 2]" 1
637 1 58 ALA HA 1 59 LYS H 3.190 . 3.190 2.291 2.264 2.317 . 0 0 "[ . 1 . 2]" 1
638 1 58 ALA HA 1 59 LYS QB 4.750 . 4.750 4.352 4.126 4.606 . 0 0 "[ . 1 . 2]" 1
639 1 58 ALA HA 1 60 ASP H 4.420 . 4.420 4.182 4.030 4.244 . 0 0 "[ . 1 . 2]" 1
640 1 58 ALA MB 1 59 LYS H 3.330 . 3.330 2.733 2.658 2.765 . 0 0 "[ . 1 . 2]" 1
641 1 58 ALA MB 1 60 ASP H 3.260 . 3.260 2.754 2.611 2.821 . 0 0 "[ . 1 . 2]" 1
642 1 58 ALA MB 1 61 GLY H 3.580 . 3.580 2.672 2.574 2.868 . 0 0 "[ . 1 . 2]" 1
643 1 58 ALA MB 1 62 SER H 3.370 . 3.370 2.647 2.447 2.880 . 0 0 "[ . 1 . 2]" 1
644 1 58 ALA MB 1 63 MET H 2.870 . 2.870 2.311 2.044 2.522 . 0 0 "[ . 1 . 2]" 1
645 1 58 ALA MB 1 63 MET QB 4.000 . 4.000 2.914 2.299 3.488 . 0 0 "[ . 1 . 2]" 1
646 1 59 LYS H 1 59 LYS QB . . 3.120 2.344 2.152 2.643 . 0 0 "[ . 1 . 2]" 1
647 1 59 LYS H 1 59 LYS QG . . 3.480 2.981 1.848 3.923 0.443 3 0 "[ . 1 . 2]" 1
648 1 59 LYS H 1 60 ASP H 3.570 . 3.570 2.736 2.673 2.823 . 0 0 "[ . 1 . 2]" 1
649 1 59 LYS H 1 61 GLY H 4.680 . 4.680 3.852 3.808 3.965 . 0 0 "[ . 1 . 2]" 1
650 1 59 LYS HA 1 59 LYS QG . . 3.360 2.540 2.340 3.325 . 0 0 "[ . 1 . 2]" 1
651 1 59 LYS HA 1 61 GLY H 4.320 . 4.320 3.732 3.625 3.832 . 0 0 "[ . 1 . 2]" 1
652 1 59 LYS QB 1 60 ASP H . . 3.390 2.730 2.564 3.489 0.099 4 0 "[ . 1 . 2]" 1
653 1 59 LYS QB 1 61 GLY H 5.260 . 5.260 4.399 4.280 4.747 . 0 0 "[ . 1 . 2]" 1
654 1 60 ASP H 1 60 ASP QB . . 3.180 2.424 2.282 2.687 . 0 0 "[ . 1 . 2]" 1
655 1 60 ASP H 1 61 GLY H 3.400 . 3.400 2.464 2.404 2.530 . 0 0 "[ . 1 . 2]" 1
656 1 60 ASP H 1 61 GLY QA 4.810 . 4.810 4.373 4.313 4.441 . 0 0 "[ . 1 . 2]" 1
657 1 60 ASP H 1 62 SER H 3.990 . 3.990 3.752 3.670 3.860 . 0 0 "[ . 1 . 2]" 1
658 1 61 GLY H 1 62 SER H 3.390 . 3.390 2.608 2.552 2.672 . 0 0 "[ . 1 . 2]" 1
659 1 61 GLY H 1 63 MET H 4.480 . 4.480 4.093 3.882 4.308 . 0 0 "[ . 1 . 2]" 1
660 1 62 SER H 1 62 SER QB 3.220 . 3.220 2.398 2.238 2.571 . 0 0 "[ . 1 . 2]" 1
661 1 62 SER H 1 63 MET H 3.290 . 3.290 2.577 2.362 2.687 . 0 0 "[ . 1 . 2]" 1
662 1 62 SER H 1 63 MET QB 5.120 . 5.120 4.675 4.342 4.850 . 0 0 "[ . 1 . 2]" 1
663 1 62 SER QB 1 63 MET H 4.010 . 4.010 2.994 2.534 3.767 . 0 0 "[ . 1 . 2]" 1
664 1 63 MET H 1 63 MET QB 3.260 . 3.260 2.681 2.505 2.885 . 0 0 "[ . 1 . 2]" 1
665 1 63 MET H 1 63 MET QG . . 4.440 3.895 2.792 4.214 . 0 0 "[ . 1 . 2]" 1
666 1 63 MET H 1 64 SER H 4.460 . 4.460 4.327 4.074 4.464 0.004 1 0 "[ . 1 . 2]" 1
667 1 63 MET HA 1 64 SER H 2.760 . 2.760 2.203 2.153 2.256 . 0 0 "[ . 1 . 2]" 1
668 1 63 MET QB 1 64 SER H 4.000 . 4.000 3.477 2.748 3.864 . 0 0 "[ . 1 . 2]" 1
669 1 63 MET QG 1 64 SER H . . 3.880 2.771 2.211 4.407 0.527 17 1 "[ . 1 . + 2]" 1
670 1 64 SER H 1 64 SER QB 3.640 . 3.640 2.883 2.654 3.139 . 0 0 "[ . 1 . 2]" 1
671 1 64 SER H 1 65 PHE H 4.650 . 4.650 4.345 4.181 4.418 . 0 0 "[ . 1 . 2]" 1
672 1 64 SER HA 1 65 PHE H 2.950 . 2.950 2.259 2.156 2.389 . 0 0 "[ . 1 . 2]" 1
673 1 64 SER QB 1 65 PHE H 3.560 . 3.560 3.099 2.466 3.645 0.085 3 0 "[ . 1 . 2]" 1
674 1 65 PHE H 1 65 PHE QD 5.000 . 5.000 4.136 3.121 4.505 . 0 0 "[ . 1 . 2]" 1
675 1 65 PHE H 1 66 ASP H 4.470 . 4.470 4.330 4.206 4.377 . 0 0 "[ . 1 . 2]" 1
676 1 65 PHE HA 1 66 ASP H 3.010 . 3.010 2.330 2.171 2.454 . 0 0 "[ . 1 . 2]" 1
677 1 65 PHE QB 1 66 ASP H 3.270 . 3.270 3.058 2.412 3.562 0.292 12 0 "[ . 1 . 2]" 1
678 1 66 ASP H 1 66 ASP QB 3.140 . 3.140 2.766 2.397 3.127 . 0 0 "[ . 1 . 2]" 1
679 1 66 ASP H 1 67 PHE H 4.670 . 4.670 4.231 3.868 4.363 . 0 0 "[ . 1 . 2]" 1
680 1 66 ASP HA 1 67 PHE H 3.170 . 3.170 2.166 2.148 2.212 . 0 0 "[ . 1 . 2]" 1
681 1 66 ASP QB 1 67 PHE H . . 3.940 3.413 2.915 4.003 0.063 5 0 "[ . 1 . 2]" 1
682 1 67 PHE H 1 67 PHE QB . . 3.330 2.390 2.297 2.480 . 0 0 "[ . 1 . 2]" 1
683 1 67 PHE H 1 68 GLY H 4.710 . 4.710 4.530 4.439 4.573 . 0 0 "[ . 1 . 2]" 1
684 1 67 PHE QB 1 68 GLY H 4.230 . 4.230 3.124 2.838 3.751 . 0 0 "[ . 1 . 2]" 1
685 1 68 GLY H 1 69 GLY H 4.690 . 4.690 4.340 4.306 4.360 . 0 0 "[ . 1 . 2]" 1
686 1 68 GLY QA 1 69 GLY H 3.500 . 3.500 2.199 2.125 2.277 . 0 0 "[ . 1 . 2]" 1
687 1 69 GLY H 1 70 VAL H 4.610 . 4.610 4.343 4.327 4.367 . 0 0 "[ . 1 . 2]" 1
688 1 69 GLY H 1 70 VAL QG 5.510 . 5.510 4.460 4.022 5.170 . 0 0 "[ . 1 . 2]" 1
689 1 69 GLY QA 1 70 VAL H 3.320 . 3.320 2.295 2.285 2.312 . 0 0 "[ . 1 . 2]" 1
690 1 69 GLY QA 1 84 ILE HA 4.180 . 4.180 2.774 2.253 3.430 . 0 0 "[ . 1 . 2]" 1
691 1 69 GLY QA 1 85 GLY H 5.020 . 5.020 3.578 2.830 4.168 . 0 0 "[ . 1 . 2]" 1
692 1 70 VAL H 1 70 VAL HB 3.510 . 3.510 2.852 2.641 3.807 0.297 10 0 "[ . 1 . 2]" 1
693 1 70 VAL H 1 70 VAL QG . . 3.200 2.453 2.031 2.717 . 0 0 "[ . 1 . 2]" 1
694 1 70 VAL H 1 71 TYR H 4.680 . 4.680 4.398 4.365 4.432 . 0 0 "[ . 1 . 2]" 1
695 1 70 VAL H 1 82 TYR QB 4.450 . 4.450 3.461 3.094 3.968 . 0 0 "[ . 1 . 2]" 1
696 1 70 VAL H 1 83 THR H 3.890 . 3.890 2.949 2.571 3.383 . 0 0 "[ . 1 . 2]" 1
697 1 70 VAL H 1 83 THR HB 4.060 . 4.060 3.453 2.929 4.312 0.252 9 0 "[ . 1 . 2]" 1
698 1 70 VAL H 1 83 THR HG1 4.760 . 4.760 3.939 2.126 4.455 . 0 0 "[ . 1 . 2]" 1
699 1 70 VAL H 1 84 ILE HA 5.190 . 5.190 4.418 3.852 5.033 . 0 0 "[ . 1 . 2]" 1
700 1 70 VAL HA 1 71 TYR H 3.050 . 3.050 2.195 2.171 2.287 . 0 0 "[ . 1 . 2]" 1
701 1 70 VAL HB 1 71 TYR H 4.330 . 4.330 4.041 2.652 4.183 . 0 0 "[ . 1 . 2]" 1
702 1 70 VAL QG 1 71 TYR H 3.270 . 3.270 2.563 2.293 3.283 0.013 10 0 "[ . 1 . 2]" 1
703 1 70 VAL QG 1 71 TYR QB 4.710 . 4.710 3.760 3.565 4.552 . 0 0 "[ . 1 . 2]" 1
704 1 71 TYR H 1 71 TYR QB . . 3.310 2.382 2.276 2.445 . 0 0 "[ . 1 . 2]" 1
705 1 71 TYR H 1 71 TYR QD 3.820 . 3.820 2.562 2.397 2.772 . 0 0 "[ . 1 . 2]" 1
706 1 71 TYR H 1 72 ASP H 4.690 . 4.690 4.486 4.414 4.530 . 0 0 "[ . 1 . 2]" 1
707 1 71 TYR QB 1 73 GLN H 5.150 . 5.150 3.414 3.024 3.806 . 0 0 "[ . 1 . 2]" 1
708 1 71 TYR QB 1 74 VAL HB 4.800 . 4.800 4.229 3.195 4.789 . 0 0 "[ . 1 . 2]" 1
709 1 71 TYR QB 1 74 VAL QG 3.820 . 3.820 2.620 2.081 3.791 . 0 0 "[ . 1 . 2]" 1
710 1 71 TYR QB 1 80 ILE MG 4.920 . 4.920 4.520 4.012 4.845 . 0 0 "[ . 1 . 2]" 1
711 1 71 TYR QD 1 71 TYR HH 4.650 . 4.650 4.274 4.250 4.353 . 0 0 "[ . 1 . 2]" 1
712 1 71 TYR QD 1 74 VAL QG 4.880 . 4.880 3.363 2.686 4.332 . 0 0 "[ . 1 . 2]" 1
713 1 71 TYR QE 1 74 VAL QG 5.910 . 5.910 4.323 3.763 5.049 . 0 0 "[ . 1 . 2]" 1
714 1 71 TYR QE 1 80 ILE MG 3.980 . 3.980 3.092 2.461 3.360 . 0 0 "[ . 1 . 2]" 1
715 1 71 TYR HH 1 80 ILE MG 4.700 . 4.700 4.460 3.833 4.733 0.033 10 0 "[ . 1 . 2]" 1
716 1 72 ASP H 1 72 ASP QB . . 3.520 2.344 2.256 2.515 . 0 0 "[ . 1 . 2]" 1
717 1 72 ASP H 1 73 GLN H 3.520 . 3.520 2.457 2.320 2.535 . 0 0 "[ . 1 . 2]" 1
718 1 72 ASP H 1 81 GLU H 5.170 . 5.170 4.756 4.444 5.081 . 0 0 "[ . 1 . 2]" 1
719 1 72 ASP H 1 82 TYR H 4.900 . 4.900 4.737 4.625 4.878 . 0 0 "[ . 1 . 2]" 1
720 1 72 ASP H 1 82 TYR H 4.480 . 4.480 4.525 4.452 4.594 0.114 4 0 "[ . 1 . 2]" 1
721 1 72 ASP H 1 82 TYR HA 3.720 . 3.720 2.353 2.117 2.650 . 0 0 "[ . 1 . 2]" 1
722 1 72 ASP H 1 82 TYR QB 4.770 . 4.770 3.634 3.312 3.956 . 0 0 "[ . 1 . 2]" 1
723 1 72 ASP H 1 83 THR H 4.500 . 4.500 3.876 3.379 4.449 . 0 0 "[ . 1 . 2]" 1
724 1 72 ASP QB 1 73 GLN H 3.400 . 3.400 2.558 2.379 2.856 . 0 0 "[ . 1 . 2]" 1
725 1 73 GLN H 1 73 GLN QB 3.860 . 3.860 2.877 2.739 3.316 . 0 0 "[ . 1 . 2]" 1
726 1 73 GLN H 1 74 VAL H 4.410 . 4.410 4.277 4.192 4.328 . 0 0 "[ . 1 . 2]" 1
727 1 73 GLN H 1 74 VAL QG 4.890 . 4.890 3.849 3.338 4.906 0.016 6 0 "[ . 1 . 2]" 1
728 1 73 GLN H 1 80 ILE MG 5.840 . 5.840 5.381 5.152 5.804 . 0 0 "[ . 1 . 2]" 1
729 1 73 GLN H 1 81 GLU H 3.940 . 3.940 4.012 3.904 4.117 0.177 2 0 "[ . 1 . 2]" 1
730 1 73 GLN H 1 81 GLU QG 3.200 . 3.200 2.971 2.632 3.278 0.078 4 0 "[ . 1 . 2]" 1
731 1 73 GLN H 1 82 TYR HA 4.790 . 4.790 4.430 4.019 4.776 . 0 0 "[ . 1 . 2]" 1
732 1 73 GLN HA 1 74 VAL H 2.730 . 2.730 2.239 2.181 2.269 . 0 0 "[ . 1 . 2]" 1
733 1 73 GLN QB 1 74 VAL H 3.510 . 3.510 3.338 2.818 3.645 0.135 20 0 "[ . 1 . 2]" 1
734 1 74 VAL H 1 74 VAL HB 3.360 . 3.360 2.961 2.739 3.374 0.014 5 0 "[ . 1 . 2]" 1
735 1 74 VAL H 1 74 VAL QG . . 3.320 2.600 2.056 2.800 . 0 0 "[ . 1 . 2]" 1
736 1 74 VAL H 1 75 LYS H 5.020 . 5.020 4.276 4.229 4.327 . 0 0 "[ . 1 . 2]" 1
737 1 74 VAL HA 1 75 LYS H 3.070 . 3.070 2.183 2.162 2.208 . 0 0 "[ . 1 . 2]" 1
738 1 74 VAL HA 1 75 LYS QG 4.260 . 4.260 3.933 3.637 4.330 0.070 11 0 "[ . 1 . 2]" 1
739 1 74 VAL HB 1 75 LYS H 4.300 . 4.300 4.162 4.041 4.323 0.023 6 0 "[ . 1 . 2]" 1
740 1 74 VAL QG 1 75 LYS H . . 3.420 2.606 2.363 2.787 . 0 0 "[ . 1 . 2]" 1
741 1 74 VAL QG 1 76 THR HA 4.400 . 4.400 4.224 3.979 4.418 0.018 13 0 "[ . 1 . 2]" 1
742 1 74 VAL QG 1 79 LEU H 5.350 . 5.350 5.255 4.599 5.525 0.175 12 0 "[ . 1 . 2]" 1
743 1 75 LYS H 1 75 LYS QG 3.860 . 3.860 3.252 2.966 3.509 . 0 0 "[ . 1 . 2]" 1
744 1 75 LYS H 1 78 ASP H 5.120 . 5.120 5.170 4.973 5.277 0.157 19 0 "[ . 1 . 2]" 1
745 1 75 LYS H 1 78 ASP QB 4.580 . 4.580 4.050 3.359 4.430 . 0 0 "[ . 1 . 2]" 1
746 1 75 LYS H 1 79 LEU H 3.780 . 3.780 3.711 3.441 3.862 0.082 3 0 "[ . 1 . 2]" 1
747 1 75 LYS HA 1 75 LYS QG 3.690 . 3.690 2.409 2.311 2.960 . 0 0 "[ . 1 . 2]" 1
748 1 75 LYS QG 1 79 LEU H 4.760 . 4.760 4.704 3.850 5.023 0.263 9 0 "[ . 1 . 2]" 1
749 1 76 THR HA 1 76 THR HG1 3.330 . 3.330 2.181 2.059 2.361 . 0 0 "[ . 1 . 2]" 1
750 1 76 THR HA 1 77 ASN H 3.120 . 3.120 2.164 2.138 2.196 . 0 0 "[ . 1 . 2]" 1
751 1 76 THR HA 1 78 ASP H 4.820 . 4.820 4.487 4.077 4.895 0.075 9 0 "[ . 1 . 2]" 1
752 1 76 THR HB 1 77 ASN H 4.300 . 4.300 4.071 3.147 4.301 0.001 12 0 "[ . 1 . 2]" 1
753 1 76 THR HG1 1 77 ASN H 3.440 . 3.440 2.909 2.378 3.662 0.222 18 0 "[ . 1 . 2]" 1
754 1 76 THR HG1 1 77 ASN HD21 4.820 . 4.820 3.439 2.042 4.624 . 0 0 "[ . 1 . 2]" 1
755 1 76 THR HG1 1 77 ASN QD 4.000 . 4.000 2.999 1.972 4.059 0.059 16 0 "[ . 1 . 2]" 1
756 1 76 THR HG1 1 77 ASN HD22 4.820 . 4.820 3.362 2.603 4.525 . 0 0 "[ . 1 . 2]" 1
757 1 76 THR HG1 1 78 ASP H 5.890 . 5.890 5.089 4.590 5.336 . 0 0 "[ . 1 . 2]" 1
758 1 77 ASN H 1 78 ASP H 3.660 . 3.660 3.108 2.955 3.266 . 0 0 "[ . 1 . 2]" 1
759 1 77 ASN H 1 79 LEU H 5.320 . 5.320 5.307 4.999 5.418 0.098 18 0 "[ . 1 . 2]" 1
760 1 77 ASN HA 1 77 ASN QB 2.590 . 2.590 2.351 2.181 2.380 . 0 0 "[ . 1 . 2]" 1
761 1 77 ASN HA 1 77 ASN HD21 4.570 . 4.570 3.037 1.880 4.489 . 0 0 "[ . 1 . 2]" 1
762 1 77 ASN HA 1 77 ASN QD 3.920 . 3.920 2.856 1.872 4.059 0.139 6 0 "[ . 1 . 2]" 1
763 1 77 ASN HA 1 77 ASN HD22 4.570 . 4.570 4.024 3.472 5.096 0.526 17 1 "[ . 1 . + 2]" 1
764 1 77 ASN HA 1 79 LEU H 5.530 . 5.530 5.380 5.056 5.559 0.029 8 0 "[ . 1 . 2]" 1
765 1 78 ASP H 1 78 ASP QB . . 3.120 2.825 2.742 2.873 . 0 0 "[ . 1 . 2]" 1
766 1 78 ASP H 1 79 LEU H 2.940 . 2.940 2.874 2.655 2.983 0.043 9 0 "[ . 1 . 2]" 1
767 1 78 ASP H 1 94 PHE QB 4.020 . 4.020 3.526 3.103 3.986 . 0 0 "[ . 1 . 2]" 1
768 1 78 ASP HA 1 94 PHE H 4.510 . 4.510 4.568 4.463 4.668 0.158 20 0 "[ . 1 . 2]" 1
769 1 78 ASP HA 1 94 PHE QB 4.400 . 4.400 3.887 3.213 4.412 0.012 14 0 "[ . 1 . 2]" 1
770 1 78 ASP QB 1 79 LEU H . . 3.080 1.882 1.782 2.045 0.018 15 0 "[ . 1 . 2]" 1
771 1 79 LEU H 1 79 LEU QB 3.450 . 3.450 2.838 2.678 3.213 . 0 0 "[ . 1 . 2]" 1
772 1 79 LEU H 1 79 LEU QD 4.380 . 4.380 3.582 2.036 4.127 . 0 0 "[ . 1 . 2]" 1
773 1 79 LEU H 1 79 LEU HG 4.740 . 4.740 4.426 3.759 4.647 . 0 0 "[ . 1 . 2]" 1
774 1 79 LEU H 1 80 ILE H 4.660 . 4.660 4.285 4.201 4.364 . 0 0 "[ . 1 . 2]" 1
775 1 79 LEU H 1 94 PHE QB 6.000 . 6.000 5.242 4.485 5.652 . 0 0 "[ . 1 . 2]" 1
776 1 79 LEU HA 1 79 LEU QD . . 3.520 2.647 2.194 3.374 . 0 0 "[ . 1 . 2]" 1
777 1 79 LEU HA 1 80 ILE H 3.000 . 3.000 2.207 2.133 2.331 . 0 0 "[ . 1 . 2]" 1
778 1 79 LEU HA 1 94 PHE H 4.220 . 4.220 3.522 3.079 3.802 . 0 0 "[ . 1 . 2]" 1
779 1 79 LEU QB 1 80 ILE H 4.210 . 4.210 3.422 2.612 3.729 . 0 0 "[ . 1 . 2]" 1
780 1 79 LEU QD 1 80 ILE H 3.860 . 3.860 3.138 2.010 3.748 . 0 0 "[ . 1 . 2]" 1
781 1 79 LEU QD 1 81 GLU H 4.910 . 4.910 4.526 3.450 4.770 . 0 0 "[ . 1 . 2]" 1
782 1 79 LEU QD 1 81 GLU QB 3.890 . 3.890 3.377 2.492 3.749 . 0 0 "[ . 1 . 2]" 1
783 1 79 LEU QD 1 81 GLU QG 4.240 . 4.240 3.129 2.119 3.602 . 0 0 "[ . 1 . 2]" 1
784 1 79 LEU QD 1 91 ARG HA 4.450 . 4.450 4.129 3.575 4.604 0.154 16 0 "[ . 1 . 2]" 1
785 1 79 LEU QD 1 92 ILE H 4.620 . 4.620 3.677 2.869 4.229 . 0 0 "[ . 1 . 2]" 1
786 1 79 LEU HG 1 80 ILE H 3.680 . 3.680 2.696 2.180 3.351 . 0 0 "[ . 1 . 2]" 1
787 1 79 LEU HG 1 81 GLU QB 4.330 . 4.330 3.794 3.536 4.147 . 0 0 "[ . 1 . 2]" 1
788 1 79 LEU HG 1 81 GLU QG 3.950 . 3.950 3.588 2.929 4.124 0.174 9 0 "[ . 1 . 2]" 1
789 1 79 LEU HG 1 92 ILE H 4.470 . 4.470 4.092 3.169 4.733 0.263 13 0 "[ . 1 . 2]" 1
790 1 80 ILE H 1 80 ILE HB 3.700 . 3.700 2.778 2.711 2.868 . 0 0 "[ . 1 . 2]" 1
791 1 80 ILE H 1 81 GLU H 4.590 . 4.590 4.306 4.257 4.357 . 0 0 "[ . 1 . 2]" 1
792 1 80 ILE H 1 92 ILE H 4.010 . 4.010 3.299 2.983 3.783 . 0 0 "[ . 1 . 2]" 1
793 1 80 ILE H 1 92 ILE HB 3.730 . 3.730 3.062 2.670 3.749 0.019 14 0 "[ . 1 . 2]" 1
794 1 80 ILE H 1 93 VAL H 5.480 . 5.480 5.319 4.942 5.539 0.059 6 0 "[ . 1 . 2]" 1
795 1 80 ILE H 1 94 PHE H 4.990 . 4.990 5.012 4.691 5.136 0.146 7 0 "[ . 1 . 2]" 1
796 1 80 ILE HA 1 81 GLU H 3.010 . 3.010 2.179 2.157 2.206 . 0 0 "[ . 1 . 2]" 1
797 1 80 ILE HB 1 81 GLU H 5.190 . 5.190 4.152 3.983 4.265 . 0 0 "[ . 1 . 2]" 1
798 1 80 ILE MD 1 80 ILE MG 3.240 . 3.240 1.993 1.949 2.030 . 0 0 "[ . 1 . 2]" 1
799 1 80 ILE MG 1 81 GLU H 3.700 . 3.700 2.632 2.345 2.814 . 0 0 "[ . 1 . 2]" 1
800 1 80 ILE MG 1 81 GLU HA 4.420 . 4.420 3.472 3.415 3.522 . 0 0 "[ . 1 . 2]" 1
801 1 81 GLU H 1 81 GLU QG 3.590 . 3.590 2.372 2.286 2.413 . 0 0 "[ . 1 . 2]" 1
802 1 81 GLU H 1 92 ILE H 5.510 . 5.510 5.054 4.877 5.257 . 0 0 "[ . 1 . 2]" 1
803 1 81 GLU HA 1 81 GLU QG 3.770 . 3.770 3.330 3.321 3.335 . 0 0 "[ . 1 . 2]" 1
804 1 81 GLU HA 1 82 TYR H 2.910 . 2.910 2.348 2.274 2.414 . 0 0 "[ . 1 . 2]" 1
805 1 81 GLU HA 1 91 ARG HA 3.680 . 3.680 3.123 2.623 3.651 . 0 0 "[ . 1 . 2]" 1
806 1 81 GLU HA 1 92 ILE H 4.000 . 4.000 3.674 3.323 3.958 . 0 0 "[ . 1 . 2]" 1
807 1 81 GLU HA 1 92 ILE HB 4.820 . 4.820 4.817 4.458 5.040 0.220 8 0 "[ . 1 . 2]" 1
808 1 81 GLU QB 1 82 TYR H 4.350 . 4.350 2.512 2.386 2.712 . 0 0 "[ . 1 . 2]" 1
809 1 81 GLU QB 1 90 VAL H 5.990 . 5.990 4.264 3.479 4.651 . 0 0 "[ . 1 . 2]" 1
810 1 81 GLU QB 1 91 ARG HA 3.940 . 3.940 2.407 2.365 2.482 . 0 0 "[ . 1 . 2]" 1
811 1 81 GLU QB 1 92 ILE H . . 4.200 3.319 3.107 3.487 . 0 0 "[ . 1 . 2]" 1
812 1 81 GLU QG 1 82 TYR H 4.760 . 4.760 3.727 3.592 3.862 . 0 0 "[ . 1 . 2]" 1
813 1 81 GLU QG 1 91 ARG HA 4.460 . 4.460 4.529 4.482 4.626 0.166 5 0 "[ . 1 . 2]" 1
814 1 81 GLU QG 1 92 ILE H 5.090 . 5.090 4.939 4.826 5.073 . 0 0 "[ . 1 . 2]" 1
815 1 82 TYR H 1 82 TYR QD 4.730 . 4.730 3.044 2.637 3.301 . 0 0 "[ . 1 . 2]" 1
816 1 82 TYR H 1 83 THR H 4.890 . 4.890 4.348 4.310 4.380 . 0 0 "[ . 1 . 2]" 1
817 1 82 TYR H 1 90 VAL H 4.480 . 4.480 3.860 3.141 4.531 0.051 18 0 "[ . 1 . 2]" 1
818 1 82 TYR H 1 90 VAL HB 4.140 . 4.140 3.757 2.528 4.269 0.129 11 0 "[ . 1 . 2]" 1
819 1 82 TYR HA 1 83 THR H 3.460 . 3.460 2.332 2.293 2.412 . 0 0 "[ . 1 . 2]" 1
820 1 82 TYR QB 1 83 THR H . . 3.420 2.613 2.408 2.737 . 0 0 "[ . 1 . 2]" 1
821 1 82 TYR QD 1 83 THR H 4.260 . 4.260 3.736 3.347 3.980 . 0 0 "[ . 1 . 2]" 1
822 1 82 TYR QE 1 84 ILE MD 3.340 . 3.340 2.525 2.093 3.386 0.046 2 0 "[ . 1 . 2]" 1
823 1 82 TYR QE 1 84 ILE QG . . 3.700 2.659 2.255 4.108 0.408 12 0 "[ . 1 . 2]" 1
824 1 83 THR H 1 83 THR HB 3.680 . 3.680 2.705 2.508 3.608 . 0 0 "[ . 1 . 2]" 1
825 1 83 THR H 1 83 THR HG1 4.270 . 4.270 2.820 1.822 3.505 . 0 0 "[ . 1 . 2]" 1
826 1 83 THR H 1 84 ILE H 4.680 . 4.680 4.471 4.376 4.529 . 0 0 "[ . 1 . 2]" 1
827 1 83 THR HA 1 83 THR HG1 3.510 . 3.510 2.217 2.057 2.313 . 0 0 "[ . 1 . 2]" 1
828 1 83 THR HA 1 84 ILE H 3.230 . 3.230 2.167 2.138 2.182 . 0 0 "[ . 1 . 2]" 1
829 1 83 THR HA 1 84 ILE HB 4.840 . 4.840 4.626 4.425 4.764 . 0 0 "[ . 1 . 2]" 1
830 1 83 THR HG1 1 84 ILE H 3.290 . 3.290 2.812 2.572 3.689 0.399 9 0 "[ . 1 . 2]" 1
831 1 84 ILE H 1 84 ILE HB 3.450 . 3.450 2.537 2.468 2.681 . 0 0 "[ . 1 . 2]" 1
832 1 84 ILE H 1 84 ILE MD 4.330 . 4.330 3.212 1.873 4.418 0.088 19 0 "[ . 1 . 2]" 1
833 1 84 ILE H 1 84 ILE QG . . 3.870 2.604 2.069 4.025 0.155 19 0 "[ . 1 . 2]" 1
834 1 84 ILE H 1 84 ILE MG 4.340 . 4.340 3.723 1.941 3.843 . 0 0 "[ . 1 . 2]" 1
835 1 84 ILE H 1 85 GLY H 4.790 . 4.790 4.562 4.519 4.610 . 0 0 "[ . 1 . 2]" 1
836 1 84 ILE H 1 87 GLY H 5.000 . 5.000 4.016 3.774 4.429 . 0 0 "[ . 1 . 2]" 1
837 1 84 ILE H 1 88 ARG H 4.540 . 4.540 4.181 3.626 4.686 0.146 4 0 "[ . 1 . 2]" 1
838 1 84 ILE HA 1 84 ILE MD 4.070 . 4.070 3.274 2.188 3.880 . 0 0 "[ . 1 . 2]" 1
839 1 84 ILE HA 1 84 ILE MG 3.470 . 3.470 2.396 2.314 3.232 . 0 0 "[ . 1 . 2]" 1
840 1 84 ILE HA 1 85 GLY H 3.500 . 3.500 2.270 2.201 2.441 . 0 0 "[ . 1 . 2]" 1
841 1 84 ILE HA 1 86 ASP H 4.630 . 4.630 4.264 3.864 4.494 . 0 0 "[ . 1 . 2]" 1
842 1 84 ILE HB 1 85 GLY H 4.190 . 4.190 3.879 3.706 4.057 . 0 0 "[ . 1 . 2]" 1
843 1 84 ILE HB 1 86 ASP H 4.480 . 4.480 3.544 2.894 4.499 0.019 19 0 "[ . 1 . 2]" 1
844 1 84 ILE HB 1 87 GLY H 4.650 . 4.650 3.222 2.889 4.694 0.044 19 0 "[ . 1 . 2]" 1
845 1 84 ILE HB 1 88 ARG H 4.140 . 4.140 2.814 2.331 4.526 0.386 19 0 "[ . 1 . 2]" 1
846 1 84 ILE MG 1 85 GLY H 3.160 . 3.160 2.287 1.921 3.309 0.149 19 0 "[ . 1 . 2]" 1
847 1 84 ILE MG 1 85 GLY QA 3.870 . 3.870 3.394 3.167 3.894 0.024 19 0 "[ . 1 . 2]" 1
848 1 84 ILE MG 1 86 ASP H 3.060 . 3.060 1.880 1.778 2.263 0.022 17 0 "[ . 1 . 2]" 1
849 1 84 ILE MG 1 87 GLY H 3.400 . 3.400 3.227 1.958 3.505 0.105 4 0 "[ . 1 . 2]" 1
850 1 84 ILE MG 1 88 ARG H 3.570 . 3.570 3.498 1.919 3.711 0.141 17 0 "[ . 1 . 2]" 1
851 1 85 GLY H 1 86 ASP H 3.880 . 3.880 2.873 2.723 3.100 . 0 0 "[ . 1 . 2]" 1
852 1 85 GLY QA 1 86 ASP H 3.560 . 3.560 2.754 2.708 2.884 . 0 0 "[ . 1 . 2]" 1
853 1 85 GLY QA 1 87 GLY H 4.260 . 4.260 3.461 3.329 3.592 . 0 0 "[ . 1 . 2]" 1
854 1 86 ASP H 1 86 ASP QB . . 3.450 2.367 2.208 2.567 . 0 0 "[ . 1 . 2]" 1
855 1 86 ASP H 1 87 GLY H 3.290 . 3.290 2.567 1.766 2.695 0.034 5 0 "[ . 1 . 2]" 1
856 1 86 ASP H 1 88 ARG H 4.180 . 4.180 3.814 3.252 4.028 . 0 0 "[ . 1 . 2]" 1
857 1 86 ASP QB 1 88 ARG H 4.330 . 4.330 2.673 2.542 3.376 . 0 0 "[ . 1 . 2]" 1
858 1 87 GLY H 1 88 ARG H 3.400 . 3.400 2.400 2.298 2.495 . 0 0 "[ . 1 . 2]" 1
859 1 88 ARG H 1 89 LYS H 4.600 . 4.600 4.622 4.548 4.672 0.072 16 0 "[ . 1 . 2]" 1
860 1 88 ARG HA 1 89 LYS H 3.150 . 3.150 2.286 2.205 2.499 . 0 0 "[ . 1 . 2]" 1
861 1 89 LYS H 1 89 LYS QB . . 3.080 2.545 2.295 3.176 0.096 11 0 "[ . 1 . 2]" 1
862 1 89 LYS H 1 89 LYS QG 3.960 . 3.960 3.314 2.008 4.212 0.252 20 0 "[ . 1 . 2]" 1
863 1 89 LYS H 1 108 ASP H 4.270 . 4.270 4.358 4.206 4.505 0.235 11 0 "[ . 1 . 2]" 1
864 1 89 LYS HA 1 89 LYS QD 4.070 . 4.070 3.098 2.182 4.463 0.393 11 0 "[ . 1 . 2]" 1
865 1 89 LYS HA 1 90 VAL H 2.910 . 2.910 2.184 2.092 2.306 . 0 0 "[ . 1 . 2]" 1
866 1 89 LYS HA 1 90 VAL HB 5.050 . 5.050 4.579 4.489 4.680 . 0 0 "[ . 1 . 2]" 1
867 1 89 LYS QB 1 90 VAL H 3.510 . 3.510 3.286 2.384 3.765 0.255 18 0 "[ . 1 . 2]" 1
868 1 89 LYS QD 1 90 VAL H 3.910 . 3.910 3.944 3.399 4.394 0.484 19 0 "[ . 1 . 2]" 1
869 1 89 LYS QG 1 90 VAL H . . 4.520 3.377 2.126 4.718 0.198 17 0 "[ . 1 . 2]" 1
870 1 90 VAL H 1 90 VAL HB 3.510 . 3.510 2.832 2.730 2.940 . 0 0 "[ . 1 . 2]" 1
871 1 90 VAL H 1 90 VAL QG 3.420 . 3.420 2.796 2.717 2.897 . 0 0 "[ . 1 . 2]" 1
872 1 90 VAL HA 1 91 ARG H 3.120 . 3.120 2.158 2.121 2.184 . 0 0 "[ . 1 . 2]" 1
873 1 90 VAL HA 1 107 PHE QD 4.750 . 4.750 4.393 3.933 4.902 0.152 8 0 "[ . 1 . 2]" 1
874 1 90 VAL HA 1 108 ASP H 5.200 . 5.200 4.925 4.477 5.254 0.054 19 0 "[ . 1 . 2]" 1
875 1 90 VAL QG 1 91 ARG H 3.390 . 3.390 2.643 2.462 3.012 . 0 0 "[ . 1 . 2]" 1
876 1 90 VAL QG 1 106 SER H 4.100 . 4.100 3.907 3.299 4.258 0.158 19 0 "[ . 1 . 2]" 1
877 1 90 VAL QG 1 107 PHE H 6.000 . 6.000 4.835 4.406 5.316 . 0 0 "[ . 1 . 2]" 1
878 1 90 VAL QG 1 107 PHE QD 4.270 . 4.270 2.494 2.136 3.230 . 0 0 "[ . 1 . 2]" 1
879 1 90 VAL QG 1 108 ASP H 4.230 . 4.230 3.803 3.275 4.387 0.157 6 0 "[ . 1 . 2]" 1
880 1 91 ARG H 1 92 ILE H 4.700 . 4.700 4.314 4.169 4.482 . 0 0 "[ . 1 . 2]" 1
881 1 91 ARG H 1 106 SER H 3.780 . 3.780 3.417 3.132 3.864 0.084 5 0 "[ . 1 . 2]" 1
882 1 91 ARG HA 1 92 ILE H 3.110 . 3.110 2.177 2.148 2.204 . 0 0 "[ . 1 . 2]" 1
883 1 92 ILE H 1 92 ILE HB 3.510 . 3.510 2.636 2.558 2.752 . 0 0 "[ . 1 . 2]" 1
884 1 92 ILE H 1 92 ILE MD 4.400 . 4.400 3.882 3.776 4.047 . 0 0 "[ . 1 . 2]" 1
885 1 92 ILE H 1 92 ILE QG 3.520 . 3.520 2.663 2.534 2.789 . 0 0 "[ . 1 . 2]" 1
886 1 92 ILE H 1 92 ILE MG 4.350 . 4.350 3.876 3.844 3.932 . 0 0 "[ . 1 . 2]" 1
887 1 92 ILE H 1 93 VAL H 4.850 . 4.850 4.267 4.144 4.371 . 0 0 "[ . 1 . 2]" 1
888 1 92 ILE HA 1 92 ILE MG 3.410 . 3.410 2.348 2.338 2.367 . 0 0 "[ . 1 . 2]" 1
889 1 92 ILE HA 1 106 SER H 4.470 . 4.470 4.140 3.724 4.438 . 0 0 "[ . 1 . 2]" 1
890 1 92 ILE HB 1 92 ILE MD 3.210 . 3.210 2.343 2.337 2.350 . 0 0 "[ . 1 . 2]" 1
891 1 92 ILE MD 1 92 ILE MG 3.070 . 3.070 1.969 1.953 1.984 . 0 0 "[ . 1 . 2]" 1
892 1 92 ILE QG 1 92 ILE MG 3.130 . 3.130 2.300 2.276 2.319 . 0 0 "[ . 1 . 2]" 1
893 1 92 ILE MG 1 93 VAL H 3.510 . 3.510 2.963 2.737 3.162 . 0 0 "[ . 1 . 2]" 1
894 1 92 ILE MG 1 103 ILE HA 5.110 . 5.110 4.305 3.948 4.570 . 0 0 "[ . 1 . 2]" 1
895 1 92 ILE MG 1 104 VAL H 5.280 . 5.280 3.765 3.378 4.115 . 0 0 "[ . 1 . 2]" 1
896 1 92 ILE MG 1 106 SER H 5.670 . 5.670 5.416 4.950 5.791 0.121 18 0 "[ . 1 . 2]" 1
897 1 93 VAL H 1 93 VAL HB 3.250 . 3.250 2.666 2.556 3.021 . 0 0 "[ . 1 . 2]" 1
898 1 93 VAL H 1 93 VAL QG 3.840 . 3.840 2.371 1.964 2.573 . 0 0 "[ . 1 . 2]" 1
899 1 93 VAL H 1 104 VAL H 3.850 . 3.850 3.628 3.427 3.844 . 0 0 "[ . 1 . 2]" 1
900 1 93 VAL H 1 105 GLU H 5.570 . 5.570 5.156 4.766 5.652 0.082 5 0 "[ . 1 . 2]" 1
901 1 93 VAL H 1 105 GLU HA 3.940 . 3.940 3.626 3.075 4.035 0.095 16 0 "[ . 1 . 2]" 1
902 1 93 VAL H 1 106 SER H 5.830 . 5.830 5.201 4.854 5.655 . 0 0 "[ . 1 . 2]" 1
903 1 93 VAL HB 1 104 VAL H 5.510 . 5.510 4.371 3.862 5.688 0.178 11 0 "[ . 1 . 2]" 1
904 1 93 VAL QG 1 94 PHE H 3.210 . 3.210 2.752 2.574 2.992 . 0 0 "[ . 1 . 2]" 1
905 1 93 VAL QG 1 95 THR H 4.620 . 4.620 4.254 3.565 4.556 . 0 0 "[ . 1 . 2]" 1
906 1 93 VAL QG 1 104 VAL H 4.960 . 4.960 4.257 3.015 4.640 . 0 0 "[ . 1 . 2]" 1
907 1 94 PHE H 1 94 PHE QB 3.710 . 3.710 2.360 2.166 2.422 . 0 0 "[ . 1 . 2]" 1
908 1 94 PHE H 1 94 PHE QD 3.740 . 3.740 2.442 2.134 4.061 0.321 12 0 "[ . 1 . 2]" 1
909 1 94 PHE H 1 95 THR H 4.910 . 4.910 4.432 4.287 4.508 . 0 0 "[ . 1 . 2]" 1
910 1 94 PHE HA 1 95 THR H 2.930 . 2.930 2.145 2.132 2.183 . 0 0 "[ . 1 . 2]" 1
911 1 94 PHE HA 1 102 ASN H 5.210 . 5.210 5.258 4.761 5.446 0.236 9 0 "[ . 1 . 2]" 1
912 1 94 PHE HA 1 103 ILE HA 4.140 . 4.140 3.162 2.749 3.730 . 0 0 "[ . 1 . 2]" 1
913 1 94 PHE HA 1 104 VAL H 4.390 . 4.390 3.745 3.403 4.441 0.051 18 0 "[ . 1 . 2]" 1
914 1 94 PHE HA 1 104 VAL QG 4.660 . 4.660 4.528 4.101 4.810 0.150 12 0 "[ . 1 . 2]" 1
915 1 94 PHE QB 1 95 THR H 4.220 . 4.220 3.335 3.132 3.791 . 0 0 "[ . 1 . 2]" 1
916 1 94 PHE QD 1 103 ILE QG . . 3.970 3.093 2.407 4.255 0.285 12 0 "[ . 1 . 2]" 1
917 1 94 PHE QD 1 104 VAL QG 5.920 . 5.920 5.886 5.438 6.091 0.171 14 0 "[ . 1 . 2]" 1
918 1 95 THR H 1 95 THR HB 3.900 . 3.900 3.214 2.509 3.829 . 0 0 "[ . 1 . 2]" 1
919 1 95 THR H 1 95 THR HG1 4.090 . 4.090 2.773 1.909 3.674 . 0 0 "[ . 1 . 2]" 1
920 1 95 THR H 1 96 HIS H 5.210 . 5.210 4.390 4.285 4.511 . 0 0 "[ . 1 . 2]" 1
921 1 95 THR H 1 101 THR HG1 4.620 . 4.620 3.774 3.452 4.046 . 0 0 "[ . 1 . 2]" 1
922 1 95 THR H 1 102 ASN H 3.540 . 3.540 3.603 3.485 3.698 0.158 9 0 "[ . 1 . 2]" 1
923 1 95 THR H 1 102 ASN QB 4.270 . 4.270 3.782 3.538 4.167 . 0 0 "[ . 1 . 2]" 1
924 1 95 THR H 1 103 ILE HA 4.290 . 4.290 3.641 3.336 4.083 . 0 0 "[ . 1 . 2]" 1
925 1 95 THR H 1 104 VAL QG 5.540 . 5.540 4.125 3.632 4.538 . 0 0 "[ . 1 . 2]" 1
926 1 95 THR HB 1 96 HIS H 4.200 . 4.200 3.440 2.681 4.256 0.056 19 0 "[ . 1 . 2]" 1
927 1 95 THR HB 1 102 ASN H 4.910 . 4.910 4.348 3.433 4.931 0.021 17 0 "[ . 1 . 2]" 1
928 1 95 THR HB 1 102 ASN QB 3.500 . 3.500 3.049 2.427 3.666 0.166 11 0 "[ . 1 . 2]" 1
929 1 95 THR HG1 1 96 HIS H 3.910 . 3.910 2.953 2.161 3.786 . 0 0 "[ . 1 . 2]" 1
930 1 96 HIS H 1 97 THR H 4.410 . 4.410 4.347 4.246 4.521 0.111 19 0 "[ . 1 . 2]" 1
931 1 96 HIS HA 1 97 THR H 2.940 . 2.940 2.276 2.162 2.412 . 0 0 "[ . 1 . 2]" 1
932 1 96 HIS HA 1 97 THR HG1 4.360 . 4.360 3.325 3.088 3.729 . 0 0 "[ . 1 . 2]" 1
933 1 96 HIS HA 1 101 THR HA 3.450 . 3.450 2.579 2.421 2.882 . 0 0 "[ . 1 . 2]" 1
934 1 96 HIS HA 1 102 ASN H 3.920 . 3.920 2.954 2.585 3.490 . 0 0 "[ . 1 . 2]" 1
935 1 96 HIS QB 1 97 THR H 3.410 . 3.410 2.806 2.416 3.567 0.157 14 0 "[ . 1 . 2]" 1
936 1 96 HIS QB 1 101 THR HG1 4.780 . 4.780 2.699 2.318 3.780 . 0 0 "[ . 1 . 2]" 1
937 1 96 HIS QB 1 102 ASN H 4.900 . 4.900 3.677 3.098 4.951 0.051 3 0 "[ . 1 . 2]" 1
938 1 97 THR H 1 97 THR HB 4.200 . 4.200 3.518 2.643 3.906 . 0 0 "[ . 1 . 2]" 1
939 1 97 THR H 1 97 THR HG1 3.580 . 3.580 2.281 1.922 3.018 . 0 0 "[ . 1 . 2]" 1
940 1 97 THR H 1 100 THR H 3.640 . 3.640 3.571 2.844 3.860 0.220 1 0 "[ . 1 . 2]" 1
941 1 97 THR H 1 100 THR HB 4.540 . 4.540 3.782 2.914 4.730 0.190 17 0 "[ . 1 . 2]" 1
942 1 97 THR H 1 100 THR HG1 4.680 . 4.680 4.033 2.282 4.738 0.058 19 0 "[ . 1 . 2]" 1
943 1 97 THR H 1 101 THR HA 4.000 . 4.000 3.850 3.274 4.136 0.136 12 0 "[ . 1 . 2]" 1
944 1 97 THR H 1 102 ASN H 4.800 . 4.800 4.812 4.191 5.076 0.276 7 0 "[ . 1 . 2]" 1
945 1 97 THR HA 1 97 THR HG1 3.400 . 3.400 2.425 2.250 2.998 . 0 0 "[ . 1 . 2]" 1
946 1 97 THR HG1 1 100 THR H 4.320 . 4.320 3.840 3.183 4.595 0.275 9 0 "[ . 1 . 2]" 1
947 1 97 THR HG1 1 100 THR HB 3.900 . 3.900 2.950 1.974 3.962 0.062 20 0 "[ . 1 . 2]" 1
948 1 99 ASP H 1 100 THR H 3.490 . 3.490 2.686 2.448 3.227 . 0 0 "[ . 1 . 2]" 1
949 1 99 ASP QB 1 100 THR H . . 4.000 3.698 3.269 4.059 0.059 14 0 "[ . 1 . 2]" 1
950 1 100 THR H 1 100 THR HB 3.320 . 3.320 3.001 2.647 3.717 0.397 17 0 "[ . 1 . 2]" 1
951 1 100 THR H 1 100 THR HG1 4.080 . 4.080 3.187 2.089 3.748 . 0 0 "[ . 1 . 2]" 1
952 1 100 THR H 1 101 THR H 4.210 . 4.210 4.256 3.974 4.473 0.263 5 0 "[ . 1 . 2]" 1
953 1 100 THR HG1 1 101 THR H 3.460 . 3.460 2.792 2.253 3.630 0.170 12 0 "[ . 1 . 2]" 1
954 1 101 THR H 1 101 THR HB 3.310 . 3.310 2.634 2.528 2.865 . 0 0 "[ . 1 . 2]" 1
955 1 101 THR H 1 101 THR HG1 3.940 . 3.940 2.982 2.323 3.599 . 0 0 "[ . 1 . 2]" 1
956 1 101 THR HA 1 101 THR HG1 3.490 . 3.490 2.202 2.043 2.322 . 0 0 "[ . 1 . 2]" 1
957 1 101 THR HA 1 102 ASN H 3.030 . 3.030 2.169 2.132 2.224 . 0 0 "[ . 1 . 2]" 1
958 1 101 THR HB 1 102 ASN H 4.820 . 4.820 4.102 3.884 4.245 . 0 0 "[ . 1 . 2]" 1
959 1 101 THR HG1 1 102 ASN H 3.350 . 3.350 2.560 2.273 2.791 . 0 0 "[ . 1 . 2]" 1
960 1 101 THR HG1 1 102 ASN HA 4.470 . 4.470 3.797 3.690 3.916 . 0 0 "[ . 1 . 2]" 1
961 1 101 THR HG1 1 103 ILE HA 4.250 . 4.250 4.157 3.901 4.298 0.048 5 0 "[ . 1 . 2]" 1
962 1 101 THR HG1 1 103 ILE QG 3.540 . 3.540 2.676 2.275 2.979 . 0 0 "[ . 1 . 2]" 1
963 1 102 ASN H 1 102 ASN QB 3.290 . 3.290 2.522 2.420 2.616 . 0 0 "[ . 1 . 2]" 1
964 1 102 ASN H 1 103 ILE H 4.290 . 4.290 4.289 4.230 4.354 0.064 4 0 "[ . 1 . 2]" 1
965 1 102 ASN HA 1 103 ILE H 3.020 . 3.020 2.151 2.135 2.172 . 0 0 "[ . 1 . 2]" 1
966 1 102 ASN HA 1 103 ILE MG 5.730 . 5.730 5.505 5.476 5.553 . 0 0 "[ . 1 . 2]" 1
967 1 102 ASN QB 1 103 ILE H 3.980 . 3.980 3.493 3.177 3.944 . 0 0 "[ . 1 . 2]" 1
968 1 103 ILE H 1 103 ILE HB 3.390 . 3.390 2.548 2.512 2.579 . 0 0 "[ . 1 . 2]" 1
969 1 103 ILE H 1 103 ILE MD 4.230 . 4.230 3.681 3.625 3.748 . 0 0 "[ . 1 . 2]" 1
970 1 103 ILE H 1 103 ILE QG 4.530 . 4.530 2.440 2.331 2.509 . 0 0 "[ . 1 . 2]" 1
971 1 103 ILE H 1 103 ILE MG 4.230 . 4.230 3.836 3.815 3.852 . 0 0 "[ . 1 . 2]" 1
972 1 103 ILE H 1 104 VAL H 4.590 . 4.590 4.437 4.366 4.481 . 0 0 "[ . 1 . 2]" 1
973 1 103 ILE H 1 104 VAL QG 4.690 . 4.690 4.094 3.893 4.863 0.173 18 0 "[ . 1 . 2]" 1
974 1 103 ILE HA 1 103 ILE MD 4.470 . 4.470 3.901 3.875 3.918 . 0 0 "[ . 1 . 2]" 1
975 1 103 ILE HA 1 103 ILE MG 3.420 . 3.420 2.355 2.342 2.368 . 0 0 "[ . 1 . 2]" 1
976 1 103 ILE HA 1 104 VAL H 3.030 . 3.030 2.183 2.161 2.206 . 0 0 "[ . 1 . 2]" 1
977 1 103 ILE MD 1 103 ILE MG 2.990 . 2.990 1.966 1.946 1.984 . 0 0 "[ . 1 . 2]" 1
978 1 103 ILE QG 1 104 VAL H 4.580 . 4.580 4.309 4.262 4.352 . 0 0 "[ . 1 . 2]" 1
979 1 103 ILE MG 1 104 VAL H 3.570 . 3.570 2.807 2.714 2.928 . 0 0 "[ . 1 . 2]" 1
980 1 103 ILE MG 1 104 VAL HB 5.310 . 5.310 4.930 4.779 5.427 0.117 5 0 "[ . 1 . 2]" 1
981 1 103 ILE MG 1 105 GLU H 5.550 . 5.550 4.295 4.159 4.537 . 0 0 "[ . 1 . 2]" 1
982 1 103 ILE MG 1 126 LEU QD 3.720 . 3.720 3.742 3.514 3.949 0.229 7 0 "[ . 1 . 2]" 1
983 1 104 VAL H 1 104 VAL HB 4.070 . 4.070 2.754 2.587 3.800 . 0 0 "[ . 1 . 2]" 1
984 1 104 VAL H 1 104 VAL QG . . 3.450 2.544 1.992 2.677 . 0 0 "[ . 1 . 2]" 1
985 1 104 VAL H 1 105 GLU H 4.390 . 4.390 4.350 4.280 4.462 0.072 16 0 "[ . 1 . 2]" 1
986 1 104 VAL HA 1 105 GLU H 3.010 . 3.010 2.163 2.126 2.193 . 0 0 "[ . 1 . 2]" 1
987 1 104 VAL HB 1 105 GLU H 4.120 . 4.120 4.110 3.214 4.209 0.089 3 0 "[ . 1 . 2]" 1
988 1 104 VAL HB 1 105 GLU HA 4.800 . 4.800 4.782 4.656 5.633 0.833 18 1 "[ . 1 . + 2]" 1
989 1 104 VAL QG 1 105 GLU H 3.680 . 3.680 2.703 2.408 3.537 . 0 0 "[ . 1 . 2]" 1
990 1 106 SER H 1 106 SER QB 3.620 . 3.620 2.745 2.304 3.068 . 0 0 "[ . 1 . 2]" 1
991 1 106 SER HA 1 107 PHE H 3.060 . 3.060 2.239 2.136 2.348 . 0 0 "[ . 1 . 2]" 1
992 1 106 SER QB 1 107 PHE H . . 3.860 3.053 2.720 3.584 . 0 0 "[ . 1 . 2]" 1
993 1 107 PHE H 1 107 PHE QD 4.360 . 4.360 3.283 2.557 4.464 0.104 4 0 "[ . 1 . 2]" 1
994 1 107 PHE HA 1 107 PHE QD 4.370 . 4.370 3.021 2.477 3.725 . 0 0 "[ . 1 . 2]" 1
995 1 107 PHE HA 1 108 ASP H 3.090 . 3.090 2.314 2.178 2.494 . 0 0 "[ . 1 . 2]" 1
996 1 107 PHE QB 1 108 ASP H 3.320 . 3.320 2.772 2.224 3.627 0.307 18 0 "[ . 1 . 2]" 1
997 1 107 PHE QD 1 108 ASP H 4.780 . 4.780 3.633 3.129 4.058 . 0 0 "[ . 1 . 2]" 1
998 1 108 ASP H 1 109 PRO QD 4.660 . 4.660 3.758 3.052 4.519 . 0 0 "[ . 1 . 2]" 1
999 1 109 PRO HA 1 110 GLU H 3.460 . 3.460 2.446 2.236 2.724 . 0 0 "[ . 1 . 2]" 1
1000 1 110 GLU H 1 110 GLU QB . . 3.350 2.436 2.236 3.126 . 0 0 "[ . 1 . 2]" 1
1001 1 110 GLU HA 1 111 GLU H 3.570 . 3.570 2.313 2.124 2.900 . 0 0 "[ . 1 . 2]" 1
1002 1 111 GLU H 1 111 GLU QB 3.690 . 3.690 2.428 2.267 2.652 . 0 0 "[ . 1 . 2]" 1
1003 1 111 GLU H 1 112 THR H 4.750 . 4.750 2.535 2.332 2.818 . 0 0 "[ . 1 . 2]" 1
1004 1 111 GLU QG 1 112 THR H 4.110 . 4.110 3.361 2.069 4.176 0.066 15 0 "[ . 1 . 2]" 1
1005 1 111 GLU QG 1 112 THR HG1 4.720 . 4.720 3.805 2.184 4.820 0.100 19 0 "[ . 1 . 2]" 1
1006 1 112 THR H 1 112 THR HB 3.990 . 3.990 3.269 2.603 3.602 . 0 0 "[ . 1 . 2]" 1
1007 1 112 THR H 1 112 THR HG1 3.980 . 3.980 2.061 1.837 3.209 . 0 0 "[ . 1 . 2]" 1
1008 1 112 THR HA 1 112 THR HG1 2.590 . 2.590 2.327 2.087 2.563 . 0 0 "[ . 1 . 2]" 1
1009 1 112 THR HB 1 113 ASN H 4.310 . 4.310 3.516 2.492 4.116 . 0 0 "[ . 1 . 2]" 1
1010 1 113 ASN H 1 113 ASN QB . . 3.580 2.435 2.268 3.194 . 0 0 "[ . 1 . 2]" 1
1011 1 113 ASN HA 1 114 PRO QD . . 2.980 2.176 2.093 2.301 . 0 0 "[ . 1 . 2]" 1
1012 1 113 ASN HA 1 114 PRO QG 4.690 . 4.690 4.111 4.002 4.227 . 0 0 "[ . 1 . 2]" 1
1013 1 114 PRO QB 1 116 GLU H 4.540 . 4.540 3.234 2.838 3.862 . 0 0 "[ . 1 . 2]" 1
1014 1 114 PRO QB 1 117 LEU H 3.950 . 3.950 2.712 2.056 3.509 . 0 0 "[ . 1 . 2]" 1
1015 1 114 PRO QD 1 117 LEU QD 4.310 . 4.310 3.525 2.506 4.237 . 0 0 "[ . 1 . 2]" 1
1016 1 114 PRO QG 1 117 LEU H 4.350 . 4.350 3.363 2.541 4.242 . 0 0 "[ . 1 . 2]" 1
1017 1 114 PRO QG 1 117 LEU QD . . 4.500 2.643 2.122 3.879 . 0 0 "[ . 1 . 2]" 1
1018 1 114 PRO QG 1 118 GLN H 4.460 . 4.460 4.241 3.829 5.018 0.558 7 1 "[ . + 1 . 2]" 1
1019 1 115 ARG H 1 115 ARG QB 3.810 . 3.810 2.478 2.383 2.601 . 0 0 "[ . 1 . 2]" 1
1020 1 115 ARG H 1 116 GLU H 4.630 . 4.630 2.640 2.538 2.882 . 0 0 "[ . 1 . 2]" 1
1021 1 115 ARG HA 1 117 LEU H 4.520 . 4.520 4.444 4.105 4.718 0.198 4 0 "[ . 1 . 2]" 1
1022 1 115 ARG HA 1 118 GLN H 4.370 . 4.370 3.519 3.122 4.130 . 0 0 "[ . 1 . 2]" 1
1023 1 115 ARG HA 1 118 GLN QG 4.080 . 4.080 2.882 2.186 3.968 . 0 0 "[ . 1 . 2]" 1
1024 1 115 ARG QB 1 116 GLU H 3.600 . 3.600 2.948 2.316 3.607 0.007 3 0 "[ . 1 . 2]" 1
1025 1 116 GLU H 1 116 GLU QB 3.310 . 3.310 2.438 2.202 2.620 . 0 0 "[ . 1 . 2]" 1
1026 1 116 GLU H 1 117 LEU H 3.780 . 3.780 2.873 2.739 3.030 . 0 0 "[ . 1 . 2]" 1
1027 1 116 GLU HA 1 119 GLN H 4.090 . 4.090 3.758 3.411 4.050 . 0 0 "[ . 1 . 2]" 1
1028 1 116 GLU QB 1 117 LEU H 3.580 . 3.580 2.632 2.282 3.463 . 0 0 "[ . 1 . 2]" 1
1029 1 117 LEU H 1 117 LEU QB 3.030 . 3.030 2.271 2.131 2.557 . 0 0 "[ . 1 . 2]" 1
1030 1 117 LEU H 1 117 LEU QD . . 3.670 3.358 1.825 3.778 0.108 4 0 "[ . 1 . 2]" 1
1031 1 117 LEU H 1 117 LEU HG 4.400 . 4.400 3.899 1.985 4.585 0.185 18 0 "[ . 1 . 2]" 1
1032 1 117 LEU H 1 118 GLN H 3.240 . 3.240 2.690 2.514 2.825 . 0 0 "[ . 1 . 2]" 1
1033 1 117 LEU H 1 118 GLN QG 4.210 . 4.210 4.093 3.791 4.431 0.221 8 0 "[ . 1 . 2]" 1
1034 1 117 LEU H 1 119 GLN H 4.540 . 4.540 4.248 3.927 4.449 . 0 0 "[ . 1 . 2]" 1
1035 1 117 LEU H 1 120 SER H 5.540 . 5.540 4.955 4.575 5.354 . 0 0 "[ . 1 . 2]" 1
1036 1 117 LEU HA 1 117 LEU QD 3.220 . 3.220 2.222 2.076 2.411 . 0 0 "[ . 1 . 2]" 1
1037 1 117 LEU QB 1 118 GLN H 4.130 . 4.130 2.493 2.289 2.684 . 0 0 "[ . 1 . 2]" 1
1038 1 117 LEU HG 1 118 GLN H 5.170 . 5.170 4.195 3.472 5.137 . 0 0 "[ . 1 . 2]" 1
1039 1 118 GLN H 1 118 GLN QG 3.070 . 3.070 2.079 1.799 2.409 0.001 1 0 "[ . 1 . 2]" 1
1040 1 118 GLN H 1 119 GLN H 3.480 . 3.480 2.754 2.572 2.870 . 0 0 "[ . 1 . 2]" 1
1041 1 118 GLN H 1 120 SER H 4.730 . 4.730 4.279 4.036 4.488 . 0 0 "[ . 1 . 2]" 1
1042 1 118 GLN H 1 121 GLY H 5.110 . 5.110 4.683 4.359 4.971 . 0 0 "[ . 1 . 2]" 1
1043 1 118 GLN HA 1 118 GLN QG 3.460 . 3.460 2.837 2.358 3.481 0.021 4 0 "[ . 1 . 2]" 1
1044 1 118 GLN HA 1 122 TRP HD1 4.570 . 4.570 3.927 2.595 4.623 0.053 18 0 "[ . 1 . 2]" 1
1045 1 118 GLN HA 1 122 TRP HE1 5.170 . 5.170 4.285 3.762 4.662 . 0 0 "[ . 1 . 2]" 1
1046 1 118 GLN QG 1 119 GLN H 3.910 . 3.910 3.625 2.048 4.091 0.181 8 0 "[ . 1 . 2]" 1
1047 1 118 GLN QG 1 121 GLY H 5.330 . 5.330 5.394 4.937 5.585 0.255 17 0 "[ . 1 . 2]" 1
1048 1 118 GLN QG 1 122 TRP HD1 4.740 . 4.740 4.674 3.437 4.954 0.214 12 0 "[ . 1 . 2]" 1
1049 1 118 GLN QG 1 122 TRP HE1 4.810 . 4.810 4.195 3.450 4.579 . 0 0 "[ . 1 . 2]" 1
1050 1 119 GLN H 1 119 GLN QB . . 2.890 2.235 2.170 2.415 . 0 0 "[ . 1 . 2]" 1
1051 1 119 GLN H 1 120 SER H 3.520 . 3.520 2.798 2.692 2.890 . 0 0 "[ . 1 . 2]" 1
1052 1 119 GLN QB 1 120 SER H . . 3.170 2.502 2.253 3.410 0.240 12 0 "[ . 1 . 2]" 1
1053 1 119 GLN QB 1 120 SER HA 4.700 . 4.700 4.136 4.025 4.441 . 0 0 "[ . 1 . 2]" 1
1054 1 119 GLN QB 1 121 GLY H 4.830 . 4.830 4.642 4.409 5.063 0.233 12 0 "[ . 1 . 2]" 1
1055 1 120 SER H 1 120 SER QB 3.040 . 3.040 2.363 2.258 2.560 . 0 0 "[ . 1 . 2]" 1
1056 1 120 SER HA 1 123 GLN QB . . 4.310 2.672 2.453 4.192 . 0 0 "[ . 1 . 2]" 1
1057 1 121 GLY H 1 122 TRP H 3.540 . 3.540 2.807 2.571 2.853 . 0 0 "[ . 1 . 2]" 1
1058 1 121 GLY H 1 122 TRP QB 4.950 . 4.950 4.762 4.495 4.858 . 0 0 "[ . 1 . 2]" 1
1059 1 121 GLY H 1 123 GLN H 4.710 . 4.710 4.045 3.981 4.123 . 0 0 "[ . 1 . 2]" 1
1060 1 121 GLY H 1 124 ALA MB 4.780 . 4.780 4.460 4.358 4.565 . 0 0 "[ . 1 . 2]" 1
1061 1 121 GLY QA 1 122 TRP H 3.510 . 3.510 2.627 2.610 2.695 . 0 0 "[ . 1 . 2]" 1
1062 1 121 GLY QA 1 124 ALA H 3.860 . 3.860 3.403 3.263 3.535 . 0 0 "[ . 1 . 2]" 1
1063 1 121 GLY QA 1 124 ALA MB 3.060 . 3.060 2.562 2.356 2.733 . 0 0 "[ . 1 . 2]" 1
1064 1 121 GLY QA 1 125 ILE H 4.890 . 4.890 4.067 3.904 4.226 . 0 0 "[ . 1 . 2]" 1
1065 1 122 TRP H 1 122 TRP QB 3.320 . 3.320 2.426 2.295 2.487 . 0 0 "[ . 1 . 2]" 1
1066 1 122 TRP H 1 122 TRP HD1 3.570 . 3.570 2.885 2.143 3.036 . 0 0 "[ . 1 . 2]" 1
1067 1 122 TRP H 1 122 TRP HE1 5.280 . 5.280 4.674 4.462 4.836 . 0 0 "[ . 1 . 2]" 1
1068 1 122 TRP H 1 123 GLN H 3.460 . 3.460 2.664 2.606 2.755 . 0 0 "[ . 1 . 2]" 1
1069 1 122 TRP HA 1 124 ALA H 4.370 . 4.370 4.412 4.330 4.456 0.086 18 0 "[ . 1 . 2]" 1
1070 1 122 TRP HA 1 125 ILE H 4.040 . 4.040 3.885 3.791 3.990 . 0 0 "[ . 1 . 2]" 1
1071 1 122 TRP HA 1 125 ILE HB 5.290 . 5.290 4.707 4.465 5.345 0.055 4 0 "[ . 1 . 2]" 1
1072 1 122 TRP HA 1 125 ILE MD 4.470 . 4.470 4.140 2.498 4.619 0.149 14 0 "[ . 1 . 2]" 1
1073 1 122 TRP HA 1 125 ILE MG 4.430 . 4.430 2.639 2.279 3.965 . 0 0 "[ . 1 . 2]" 1
1074 1 122 TRP QB 1 123 GLN H 3.760 . 3.760 2.668 2.546 2.737 . 0 0 "[ . 1 . 2]" 1
1075 1 122 TRP QB 1 124 ALA H 4.710 . 4.710 4.713 4.654 4.767 0.057 11 0 "[ . 1 . 2]" 1
1076 1 123 GLN H 1 123 GLN QB . . 2.980 2.285 2.201 2.551 . 0 0 "[ . 1 . 2]" 1
1077 1 123 GLN H 1 124 ALA H 3.330 . 3.330 2.528 2.448 2.653 . 0 0 "[ . 1 . 2]" 1
1078 1 123 GLN H 1 124 ALA MB 4.510 . 4.510 4.197 4.128 4.303 . 0 0 "[ . 1 . 2]" 1
1079 1 123 GLN H 1 125 ILE H 4.800 . 4.800 4.468 4.415 4.606 . 0 0 "[ . 1 . 2]" 1
1080 1 123 GLN HA 1 125 ILE H 5.320 . 5.320 4.687 4.617 4.761 . 0 0 "[ . 1 . 2]" 1
1081 1 123 GLN HA 1 126 LEU H 4.130 . 4.130 3.536 3.451 3.600 . 0 0 "[ . 1 . 2]" 1
1082 1 123 GLN HA 1 126 LEU QB 4.420 . 4.420 2.449 2.392 2.561 . 0 0 "[ . 1 . 2]" 1
1083 1 123 GLN HA 1 126 LEU QD 4.370 . 4.370 2.461 2.385 2.727 . 0 0 "[ . 1 . 2]" 1
1084 1 123 GLN HA 1 126 LEU HG 4.890 . 4.890 3.978 3.685 4.448 . 0 0 "[ . 1 . 2]" 1
1085 1 123 GLN HA 1 127 ASN H 5.120 . 5.120 4.156 4.003 4.327 . 0 0 "[ . 1 . 2]" 1
1086 1 123 GLN HA 1 127 ASN HD21 5.280 . 5.280 5.164 4.412 5.377 0.097 10 0 "[ . 1 . 2]" 1
1087 1 123 GLN QB 1 124 ALA H . . 3.740 2.729 2.629 3.497 . 0 0 "[ . 1 . 2]" 1
1088 1 123 GLN QB 1 127 ASN HD21 4.510 . 4.510 4.352 3.821 4.531 0.021 1 0 "[ . 1 . 2]" 1
1089 1 123 GLN QB 1 127 ASN HD22 5.020 . 5.020 3.810 2.779 5.220 0.200 2 0 "[ . 1 . 2]" 1
1090 1 124 ALA H 1 124 ALA MB 2.820 . 2.820 2.234 2.221 2.244 . 0 0 "[ . 1 . 2]" 1
1091 1 124 ALA H 1 125 ILE H 3.450 . 3.450 2.889 2.850 2.951 . 0 0 "[ . 1 . 2]" 1
1092 1 124 ALA H 1 125 ILE MG 4.520 . 4.520 3.872 3.670 4.508 . 0 0 "[ . 1 . 2]" 1
1093 1 124 ALA H 1 126 LEU H 4.930 . 4.930 4.108 4.031 4.181 . 0 0 "[ . 1 . 2]" 1
1094 1 124 ALA HA 1 127 ASN H 3.910 . 3.910 3.581 3.388 3.927 0.017 14 0 "[ . 1 . 2]" 1
1095 1 124 ALA HA 1 127 ASN QB 4.120 . 4.120 3.208 2.668 4.288 0.168 14 0 "[ . 1 . 2]" 1
1096 1 124 ALA HA 1 127 ASN HD21 4.670 . 4.670 2.670 1.866 4.736 0.066 7 0 "[ . 1 . 2]" 1
1097 1 124 ALA HA 1 127 ASN HD22 4.500 . 4.500 3.267 1.849 4.330 . 0 0 "[ . 1 . 2]" 1
1098 1 124 ALA MB 1 125 ILE H 3.580 . 3.580 2.327 2.253 2.383 . 0 0 "[ . 1 . 2]" 1
1099 1 124 ALA MB 1 125 ILE MG 3.460 . 3.460 3.453 2.846 3.637 0.177 13 0 "[ . 1 . 2]" 1
1100 1 124 ALA MB 1 127 ASN H 4.560 . 4.560 4.634 4.485 4.862 0.302 2 0 "[ . 1 . 2]" 1
1101 1 124 ALA MB 1 128 SER H 5.360 . 5.360 4.851 4.376 5.219 . 0 0 "[ . 1 . 2]" 1
1102 1 125 ILE H 1 125 ILE HB 3.620 . 3.620 2.796 2.556 3.609 . 0 0 "[ . 1 . 2]" 1
1103 1 125 ILE H 1 125 ILE MD 4.130 . 4.130 4.181 3.608 4.336 0.206 17 0 "[ . 1 . 2]" 1
1104 1 125 ILE H 1 125 ILE MG 3.740 . 3.740 1.909 1.815 2.228 . 0 0 "[ . 1 . 2]" 1
1105 1 125 ILE H 1 127 ASN H 5.140 . 5.140 4.219 4.109 4.441 . 0 0 "[ . 1 . 2]" 1
1106 1 125 ILE HA 1 125 ILE QG 3.650 . 3.650 2.632 2.427 3.354 . 0 0 "[ . 1 . 2]" 1
1107 1 125 ILE HA 1 128 SER H 4.110 . 4.110 3.446 3.333 3.649 . 0 0 "[ . 1 . 2]" 1
1108 1 125 ILE HB 1 125 ILE MD 3.540 . 3.540 2.323 2.298 2.348 . 0 0 "[ . 1 . 2]" 1
1109 1 125 ILE MD 1 125 ILE MG 3.170 . 3.170 1.979 1.956 2.026 . 0 0 "[ . 1 . 2]" 1
1110 1 125 ILE QG 1 126 LEU H 3.640 . 3.640 3.327 2.130 3.685 0.045 2 0 "[ . 1 . 2]" 1
1111 1 125 ILE MG 1 126 LEU H 4.170 . 4.170 2.464 2.011 4.012 . 0 0 "[ . 1 . 2]" 1
1112 1 125 ILE MG 1 127 ASN H 6.000 . 6.000 4.541 4.244 5.451 . 0 0 "[ . 1 . 2]" 1
1113 1 125 ILE MG 1 128 SER H 5.870 . 5.870 5.066 4.970 5.249 . 0 0 "[ . 1 . 2]" 1
1114 1 126 LEU H 1 126 LEU QB 3.210 . 3.210 2.254 2.204 2.292 . 0 0 "[ . 1 . 2]" 1
1115 1 126 LEU H 1 126 LEU QD 4.110 . 4.110 3.266 3.217 3.316 . 0 0 "[ . 1 . 2]" 1
1116 1 126 LEU H 1 126 LEU HG 3.420 . 3.420 2.622 2.498 2.790 . 0 0 "[ . 1 . 2]" 1
1117 1 126 LEU H 1 127 ASN H 3.410 . 3.410 2.681 2.597 2.822 . 0 0 "[ . 1 . 2]" 1
1118 1 126 LEU H 1 127 ASN QB 5.040 . 5.040 4.748 4.603 5.155 0.115 15 0 "[ . 1 . 2]" 1
1119 1 126 LEU H 1 128 SER H 4.920 . 4.920 4.129 3.962 4.240 . 0 0 "[ . 1 . 2]" 1
1120 1 126 LEU HA 1 126 LEU QD 3.770 . 3.770 2.208 2.165 2.246 . 0 0 "[ . 1 . 2]" 1
1121 1 126 LEU HA 1 129 PHE H 3.990 . 3.990 3.476 3.196 3.973 . 0 0 "[ . 1 . 2]" 1
1122 1 126 LEU HA 1 129 PHE QB 4.370 . 4.370 2.936 2.428 3.819 . 0 0 "[ . 1 . 2]" 1
1123 1 126 LEU QB 1 127 ASN H . . 3.350 2.676 2.483 2.774 . 0 0 "[ . 1 . 2]" 1
1124 1 126 LEU QD 1 129 PHE H 5.920 . 5.920 4.827 4.601 5.376 . 0 0 "[ . 1 . 2]" 1
1125 1 127 ASN H 1 127 ASN QB . . 3.090 2.462 2.338 2.684 . 0 0 "[ . 1 . 2]" 1
1126 1 127 ASN H 1 127 ASN HD21 4.210 . 4.210 3.574 2.589 3.956 . 0 0 "[ . 1 . 2]" 1
1127 1 127 ASN H 1 127 ASN HD22 4.670 . 4.670 3.972 3.379 4.294 . 0 0 "[ . 1 . 2]" 1
1128 1 127 ASN H 1 128 SER H 3.400 . 3.400 2.625 2.471 2.704 . 0 0 "[ . 1 . 2]" 1
1129 1 127 ASN H 1 130 LYS QG 5.810 . 5.810 5.295 4.723 6.221 0.411 20 0 "[ . 1 . 2]" 1
1130 1 127 ASN QB 1 127 ASN HD22 3.490 . 3.490 3.282 3.251 3.540 0.050 7 0 "[ . 1 . 2]" 1
1131 1 127 ASN QB 1 128 SER H . . 3.650 2.788 2.549 3.575 . 0 0 "[ . 1 . 2]" 1
1132 1 128 SER H 1 129 PHE H 3.480 . 3.480 2.674 2.478 2.781 . 0 0 "[ . 1 . 2]" 1
1133 1 128 SER H 1 130 LYS H 4.650 . 4.650 4.384 4.209 4.651 0.001 10 0 "[ . 1 . 2]" 1
1134 1 128 SER H 1 130 LYS QG 5.810 . 5.810 5.166 4.412 5.735 . 0 0 "[ . 1 . 2]" 1
1135 1 129 PHE H 1 129 PHE QB 3.620 . 3.620 2.262 2.240 2.370 . 0 0 "[ . 1 . 2]" 1
1136 1 129 PHE H 1 130 LYS H 3.560 . 3.560 2.794 2.708 2.965 . 0 0 "[ . 1 . 2]" 1
1137 1 129 PHE H 1 130 LYS QG 4.600 . 4.600 4.228 3.821 4.529 . 0 0 "[ . 1 . 2]" 1
1138 1 129 PHE H 1 131 SER H 5.370 . 5.370 4.277 4.029 4.659 . 0 0 "[ . 1 . 2]" 1
1139 1 129 PHE HA 1 132 TYR QB 3.790 . 3.790 2.935 2.470 3.578 . 0 0 "[ . 1 . 2]" 1
1140 1 129 PHE QB 1 130 LYS H . . 3.500 2.592 2.323 3.154 . 0 0 "[ . 1 . 2]" 1
1141 1 129 PHE QB 1 131 SER H 5.260 . 5.260 4.777 4.505 5.012 . 0 0 "[ . 1 . 2]" 1
1142 1 130 LYS H 1 130 LYS QG 3.990 . 3.990 2.104 1.841 2.298 . 0 0 "[ . 1 . 2]" 1
1143 1 130 LYS H 1 131 SER H 3.420 . 3.420 2.679 2.545 2.777 . 0 0 "[ . 1 . 2]" 1
1144 1 130 LYS QG 1 131 SER H 4.100 . 4.100 3.543 1.966 4.113 0.013 3 0 "[ . 1 . 2]" 1
1145 1 131 SER H 1 132 TYR H 3.680 . 3.680 2.711 2.554 2.825 . 0 0 "[ . 1 . 2]" 1
1146 1 131 SER H 1 132 TYR QB 5.000 . 5.000 4.498 4.302 4.811 . 0 0 "[ . 1 . 2]" 1
1147 1 132 TYR H 1 132 TYR QB . . 3.030 2.283 2.244 2.421 . 0 0 "[ . 1 . 2]" 1
1148 1 132 TYR H 1 133 THR H 3.690 . 3.690 2.737 2.623 2.844 . 0 0 "[ . 1 . 2]" 1
1149 1 132 TYR HA 1 135 ASN H 4.640 . 4.640 3.575 3.421 3.970 . 0 0 "[ . 1 . 2]" 1
1150 1 132 TYR QB 1 133 THR H 3.800 . 3.800 2.456 2.309 2.670 . 0 0 "[ . 1 . 2]" 1
1151 1 133 THR H 1 133 THR HB 3.340 . 3.340 3.035 2.492 3.578 0.238 10 0 "[ . 1 . 2]" 1
1152 1 133 THR H 1 133 THR HG1 4.130 . 4.130 2.107 1.791 3.160 0.009 18 0 "[ . 1 . 2]" 1
1153 1 133 THR H 1 134 GLU H 3.590 . 3.590 2.711 2.615 2.822 . 0 0 "[ . 1 . 2]" 1
1154 1 133 THR H 1 135 ASN H 4.550 . 4.550 4.086 3.902 4.315 . 0 0 "[ . 1 . 2]" 1
1155 1 133 THR HA 1 133 THR HG1 3.500 . 3.500 2.318 2.226 2.417 . 0 0 "[ . 1 . 2]" 1
1156 1 133 THR HB 1 134 GLU H 4.060 . 4.060 3.128 2.397 4.090 0.030 16 0 "[ . 1 . 2]" 1
1157 1 133 THR HG1 1 134 GLU H 3.880 . 3.880 2.836 1.881 3.407 . 0 0 "[ . 1 . 2]" 1
1158 1 133 THR HG1 1 134 GLU QB 4.050 . 4.050 3.894 2.962 4.454 0.404 2 0 "[ . 1 . 2]" 1
1159 1 134 GLU H 1 134 GLU QB 3.230 . 3.230 2.291 2.197 2.443 . 0 0 "[ . 1 . 2]" 1
1160 1 134 GLU H 1 135 ASN H 3.320 . 3.320 2.611 2.545 2.787 . 0 0 "[ . 1 . 2]" 1
1161 1 134 GLU H 1 135 ASN QB 4.560 . 4.560 4.491 4.336 4.758 0.198 3 0 "[ . 1 . 2]" 1
1162 1 135 ASN H 1 135 ASN QB 2.910 . 2.910 2.352 2.252 2.530 . 0 0 "[ . 1 . 2]" 1
1163 1 135 ASN H 1 136 ASN H 3.360 . 3.360 2.651 2.479 2.763 . 0 0 "[ . 1 . 2]" 1
1164 1 135 ASN H 1 137 LEU H 5.010 . 5.010 4.336 3.670 4.938 . 0 0 "[ . 1 . 2]" 1
1165 1 135 ASN QB 1 136 ASN H 3.950 . 3.950 2.973 2.510 3.851 . 0 0 "[ . 1 . 2]" 1
1166 1 136 ASN H 1 136 ASN QB . . 3.260 2.382 2.250 2.650 . 0 0 "[ . 1 . 2]" 1
1167 1 136 ASN H 1 137 LEU H 4.340 . 4.340 2.643 2.318 2.752 . 0 0 "[ . 1 . 2]" 1
1168 1 137 LEU H 1 137 LEU QB . . 3.350 2.692 2.189 3.375 0.025 2 0 "[ . 1 . 2]" 1
1169 1 137 LEU H 1 137 LEU QD . . 4.760 3.206 1.906 4.079 . 0 0 "[ . 1 . 2]" 1
1170 1 137 LEU H 1 137 LEU HG 4.530 . 4.530 3.659 2.080 4.862 0.332 1 0 "[ . 1 . 2]" 1
1171 1 137 LEU HA 1 137 LEU QD 3.070 . 3.070 2.356 2.070 3.459 0.389 6 0 "[ . 1 . 2]" 1
1172 1 137 LEU QB 1 137 LEU QD . . 2.850 1.960 1.934 2.043 . 0 0 "[ . 1 . 2]" 1
1173 1 137 LEU QB 1 138 GLU H 4.450 . 4.450 2.846 1.760 4.065 0.040 12 0 "[ . 1 . 2]" 1
1174 1 137 LEU QD 1 138 GLU H 4.760 . 4.760 3.559 2.528 4.046 . 0 0 "[ . 1 . 2]" 1
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