NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
478994 |
2kna   |
16478 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kna
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 1269
_Distance_constraint_stats_list.Viol_count 2283
_Distance_constraint_stats_list.Viol_total 7331.847
_Distance_constraint_stats_list.Viol_max 1.132
_Distance_constraint_stats_list.Viol_rms 0.0940
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0257
_Distance_constraint_stats_list.Viol_average_violations_only 0.2141
_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 SER 0.000 0.000 . 0 "[ . 1 .]"
1 3 ALA 0.715 0.273 10 0 "[ . 1 .]"
1 4 MET 0.758 0.273 10 0 "[ . 1 .]"
1 5 ALA 0.043 0.043 3 0 "[ . 1 .]"
1 6 ASP 2.159 0.245 1 0 "[ . 1 .]"
1 7 ILE 2.159 0.245 1 0 "[ . 1 .]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 9 SER 1.650 0.658 5 1 "[ + 1 .]"
1 10 GLU 3.599 0.658 5 1 "[ + 1 .]"
1 11 PHE 1.316 0.364 8 0 "[ . 1 .]"
1 12 GLU 0.350 0.149 14 0 "[ . 1 .]"
1 13 LYS 1.586 0.463 2 0 "[ . 1 .]"
1 14 THR 3.574 0.542 12 1 "[ . 1 + .]"
1 15 PRO 1.486 0.518 12 1 "[ . 1 + .]"
1 16 SER 0.386 0.282 3 0 "[ . 1 .]"
1 17 LEU 2.129 0.320 7 0 "[ . 1 .]"
1 18 THR 5.871 0.355 15 0 "[ . 1 .]"
1 19 ARG 6.103 0.435 5 0 "[ . 1 .]"
1 20 ARG 2.628 0.435 5 0 "[ . 1 .]"
1 21 ILE 1.946 0.461 3 0 "[ . 1 .]"
1 22 ASP 9.464 0.868 6 2 "[ * .+ 1 .]"
1 23 ASP 7.232 0.608 12 1 "[ . 1 + .]"
1 24 THR 14.640 0.762 3 3 "[ + . 1 * -.]"
1 25 ILE 31.345 0.708 5 10 "[ ** +-* *** **]"
1 26 PHE 8.881 0.607 9 2 "[ . +1- .]"
1 27 GLN 19.613 0.762 3 6 "[ *+ . ** -*]"
1 28 ASN 19.391 0.878 15 11 "[** ****-** * +]"
1 29 PRO 5.050 0.335 12 0 "[ . 1 .]"
1 30 MET 25.793 0.878 15 7 "[ -* *1 ***+]"
1 31 VAL 8.697 0.581 2 3 "[ + . - 1 * .]"
1 32 GLN 16.160 0.685 5 9 "[** +* *-* * *.]"
1 33 GLU 18.738 0.877 5 12 "[**- +*** **** *]"
1 34 ALA 36.886 1.013 13 14 "[*** ********+**]"
1 35 ILE 32.744 0.607 13 9 "[ * ** -*1**+*.]"
1 36 ARG 7.916 0.371 1 0 "[ . 1 .]"
1 37 MET 26.534 0.477 6 0 "[ . 1 .]"
1 38 GLY 4.570 0.293 6 0 "[ . 1 .]"
1 39 PHE 37.000 0.750 13 8 "[ * ** * 1* +**]"
1 40 SER 32.677 1.132 13 14 "[*** ******-*+**]"
1 41 PHE 30.566 0.621 13 10 "[ ** ** -*1**+*.]"
1 42 LYS 8.630 0.829 14 2 "[ . 1 - +.]"
1 43 ASP 30.799 0.695 7 8 "[** -. +* * **]"
1 44 ILE 30.661 0.686 15 8 "[* *-. ** * * +]"
1 45 LYS 26.768 0.868 6 8 "[ ** *+* -* *.]"
1 46 LYS 32.384 0.829 14 15 [***********-*+*]
1 47 ILE 58.853 0.828 6 15 [*****+********-]
1 48 MET 34.068 1.008 13 12 "[ ** ******* +**]"
1 49 GLU 3.351 0.308 12 0 "[ . 1 .]"
1 50 GLU 1.264 0.578 13 1 "[ . 1 + .]"
1 51 LYS 9.023 0.574 1 2 "[+ . - 1 .]"
1 52 ILE 14.386 0.592 13 2 "[ . 1 + -]"
1 53 GLN 2.032 0.121 7 0 "[ . 1 .]"
1 54 ILE 2.313 0.578 13 1 "[ . 1 + .]"
1 55 SER 1.368 0.116 10 0 "[ . 1 .]"
1 56 GLY 10.275 0.592 13 2 "[ . 1 + -]"
1 57 SER 0.153 0.139 13 0 "[ . 1 .]"
1 58 ASN 9.781 1.008 13 8 "[ .*****- + *]"
1 59 TYR 15.402 0.724 8 5 "[** .* + 1 -]"
1 60 LYS 4.176 0.489 5 0 "[ . 1 .]"
1 61 SER 16.022 0.629 11 7 "[ .*-**1+* *]"
1 62 LEU 18.939 0.877 5 14 "[*** +****-*****]"
1 63 GLU 6.051 0.629 11 1 "[ . 1+ .]"
1 64 VAL 9.833 0.593 2 1 "[ + . 1 .]"
1 65 LEU 35.288 0.628 15 9 "[ * -****1 * *+]"
1 66 VAL 24.898 0.726 3 9 "[ *+ * *-****.]"
1 67 ALA 19.663 0.742 14 14 "[*** **-******+*]"
1 68 ASP 6.400 0.461 2 0 "[ . 1 .]"
1 69 LEU 29.763 1.132 13 14 "[*** **-*****+**]"
1 70 VAL 2.250 0.323 11 0 "[ . 1 .]"
1 71 ASN 2.503 0.357 9 0 "[ . 1 .]"
1 72 ALA 1.718 0.210 11 0 "[ . 1 .]"
1 73 GLN 4.618 0.457 11 0 "[ . 1 .]"
1 74 LYS 5.797 0.457 11 0 "[ . 1 .]"
1 75 ASP 0.446 0.135 12 0 "[ . 1 .]"
1 76 SER 0.174 0.135 12 0 "[ . 1 .]"
1 77 MET 2.243 0.569 11 1 "[ . 1+ .]"
1 78 GLN 0.456 0.212 5 0 "[ . 1 .]"
1 79 ASP 0.104 0.053 5 0 "[ . 1 .]"
1 80 GLU 0.117 0.053 5 0 "[ . 1 .]"
1 81 SER 0.000 0.000 . 0 "[ . 1 .]"
1 82 SER 0.000 0.000 . 0 "[ . 1 .]"
1 83 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 84 THR 0.000 0.000 . 0 "[ . 1 .]"
1 85 SER 1.536 0.651 6 1 "[ .+ 1 .]"
1 86 LEU 1.603 0.651 6 1 "[ .+ 1 .]"
1 87 GLN 2.696 0.471 12 0 "[ . 1 .]"
1 88 LYS 5.769 0.681 8 1 "[ . + 1 .]"
1 89 GLU 3.224 0.681 8 1 "[ . + 1 .]"
1 90 ILE 7.862 0.623 6 2 "[ .+ 1- .]"
1 91 SER 7.862 0.623 6 2 "[ .+ 1- .]"
1 92 THR 2.938 0.779 13 1 "[ . 1 + .]"
1 93 GLU 1.120 0.191 13 0 "[ . 1 .]"
1 94 GLU 1.437 0.231 13 0 "[ . 1 .]"
1 95 GLN 4.202 0.779 13 1 "[ . 1 + .]"
1 96 LEU 2.243 0.245 11 0 "[ . 1 .]"
1 97 ARG 1.251 0.245 11 0 "[ . 1 .]"
1 98 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 99 LEU 1.782 0.380 15 0 "[ . 1 .]"
1 100 GLN 2.094 0.380 15 0 "[ . 1 .]"
1 101 GLU 0.115 0.038 10 0 "[ . 1 .]"
1 102 GLU 0.403 0.105 1 0 "[ . 1 .]"
1 103 LYS 0.226 0.175 3 0 "[ . 1 .]"
1 104 LEU 0.226 0.175 3 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER QB 1 3 ALA H . . 3.960 2.979 2.254 3.865 . 0 0 "[ . 1 .]" 1
2 1 3 ALA H 1 4 MET HA . . 5.500 5.152 4.712 5.548 0.048 13 0 "[ . 1 .]" 1
3 1 3 ALA MB 1 4 MET QG . . 5.040 4.394 2.868 5.313 0.273 10 0 "[ . 1 .]" 1
4 1 4 MET H 1 4 MET QG . . 4.450 3.040 2.253 4.290 . 0 0 "[ . 1 .]" 1
5 1 4 MET HA 1 4 MET QG . . 3.980 2.820 2.291 3.376 . 0 0 "[ . 1 .]" 1
6 1 4 MET QG 1 5 ALA H . . 4.850 3.717 2.112 4.893 0.043 3 0 "[ . 1 .]" 1
7 1 5 ALA H 1 5 ALA MB . . 3.500 2.418 2.182 2.756 . 0 0 "[ . 1 .]" 1
8 1 5 ALA HA 1 7 ILE MG . . 5.170 4.176 3.077 4.959 . 0 0 "[ . 1 .]" 1
9 1 6 ASP H 1 7 ILE MG . . 4.150 3.700 2.915 4.106 . 0 0 "[ . 1 .]" 1
10 1 6 ASP HA 1 7 ILE MG . . 4.730 4.438 3.917 4.975 0.245 1 0 "[ . 1 .]" 1
11 1 6 ASP HA 1 8 GLY H . . 4.710 3.591 3.179 4.154 . 0 0 "[ . 1 .]" 1
12 1 6 ASP HB2 1 7 ILE MG . . 5.500 5.330 4.663 5.714 0.214 10 0 "[ . 1 .]" 1
13 1 6 ASP HB3 1 7 ILE MG . . 5.500 5.266 4.618 5.684 0.184 2 0 "[ . 1 .]" 1
14 1 7 ILE H 1 7 ILE HB . . 4.080 3.251 2.472 3.827 . 0 0 "[ . 1 .]" 1
15 1 7 ILE H 1 7 ILE MG . . 3.870 2.446 1.990 3.279 . 0 0 "[ . 1 .]" 1
16 1 7 ILE H 1 8 GLY H . . 4.280 2.627 2.251 2.987 . 0 0 "[ . 1 .]" 1
17 1 7 ILE HB 1 8 GLY H . . 4.820 4.268 4.004 4.447 . 0 0 "[ . 1 .]" 1
18 1 7 ILE MG 1 8 GLY H . . 4.500 3.617 2.219 4.389 . 0 0 "[ . 1 .]" 1
19 1 8 GLY QA 1 9 SER H . . 3.060 2.229 2.101 2.709 . 0 0 "[ . 1 .]" 1
20 1 9 SER H 1 10 GLU H . . 4.410 3.556 2.170 4.474 0.064 10 0 "[ . 1 .]" 1
21 1 9 SER H 1 10 GLU HA . . 4.880 4.955 4.717 5.538 0.658 5 1 "[ + 1 .]" 1
22 1 9 SER QB 1 10 GLU H . . 4.470 3.079 2.080 3.924 . 0 0 "[ . 1 .]" 1
23 1 10 GLU H 1 10 GLU HG2 . . 4.100 3.057 2.066 4.531 0.431 13 0 "[ . 1 .]" 1
24 1 10 GLU H 1 10 GLU HG3 . . 4.100 3.319 2.531 4.448 0.348 14 0 "[ . 1 .]" 1
25 1 10 GLU H 1 11 PHE HB2 . . 5.500 4.701 3.741 5.648 0.148 11 0 "[ . 1 .]" 1
26 1 10 GLU H 1 11 PHE HB3 . . 5.500 5.099 4.124 5.864 0.364 8 0 "[ . 1 .]" 1
27 1 11 PHE H 1 11 PHE QB . . 3.300 2.552 2.175 2.839 . 0 0 "[ . 1 .]" 1
28 1 11 PHE HA 1 11 PHE HD1 . . 4.640 2.705 2.331 4.178 . 0 0 "[ . 1 .]" 1
29 1 11 PHE HA 1 11 PHE HD2 . . 4.880 4.302 3.905 4.753 . 0 0 "[ . 1 .]" 1
30 1 11 PHE HA 1 12 GLU H . . 3.290 2.532 2.134 3.436 0.146 11 0 "[ . 1 .]" 1
31 1 12 GLU H 1 12 GLU QB . . 3.420 2.506 2.150 3.326 . 0 0 "[ . 1 .]" 1
32 1 12 GLU H 1 12 GLU QG . . 3.980 3.470 2.382 4.129 0.149 14 0 "[ . 1 .]" 1
33 1 12 GLU QB 1 13 LYS H . . 4.370 3.098 1.970 4.065 . 0 0 "[ . 1 .]" 1
34 1 13 LYS H 1 13 LYS QB . . 3.070 2.585 2.267 3.192 0.122 5 0 "[ . 1 .]" 1
35 1 13 LYS H 1 13 LYS QG . . 5.080 2.996 1.977 4.222 . 0 0 "[ . 1 .]" 1
36 1 13 LYS HA 1 13 LYS QG . . 3.720 2.775 2.304 3.477 . 0 0 "[ . 1 .]" 1
37 1 13 LYS HA 1 14 THR H . . 3.220 2.454 2.151 3.377 0.157 9 0 "[ . 1 .]" 1
38 1 13 LYS QB 1 14 THR H . . 3.690 2.824 2.229 3.818 0.128 9 0 "[ . 1 .]" 1
39 1 13 LYS QB 1 14 THR HA . . 4.620 4.469 4.120 5.083 0.463 2 0 "[ . 1 .]" 1
40 1 13 LYS HB2 1 14 THR H . . 4.200 3.602 2.289 4.207 0.007 2 0 "[ . 1 .]" 1
41 1 13 LYS HB3 1 14 THR H . . 4.200 3.255 2.251 4.395 0.195 11 0 "[ . 1 .]" 1
42 1 14 THR H 1 14 THR HB . . 3.810 3.566 2.932 3.883 0.073 14 0 "[ . 1 .]" 1
43 1 14 THR H 1 14 THR MG . . 4.580 2.813 2.197 3.378 . 0 0 "[ . 1 .]" 1
44 1 14 THR H 1 15 PRO QD . . 5.140 4.468 4.430 4.497 . 0 0 "[ . 1 .]" 1
45 1 14 THR HA 1 14 THR MG . . 3.320 2.420 2.257 3.274 . 0 0 "[ . 1 .]" 1
46 1 14 THR HA 1 15 PRO HD2 . . 3.600 2.460 2.280 2.602 . 0 0 "[ . 1 .]" 1
47 1 14 THR HA 1 15 PRO QD . . 3.100 2.193 2.121 2.243 . 0 0 "[ . 1 .]" 1
48 1 14 THR HA 1 15 PRO HD3 . . 3.600 2.472 2.407 2.597 . 0 0 "[ . 1 .]" 1
49 1 14 THR HA 1 15 PRO QG . . 4.600 4.128 4.045 4.189 . 0 0 "[ . 1 .]" 1
50 1 14 THR HB 1 15 PRO QD . . 3.660 2.387 2.067 3.766 0.106 4 0 "[ . 1 .]" 1
51 1 14 THR HB 1 42 LYS QD . . 4.520 4.108 2.992 4.639 0.119 13 0 "[ . 1 .]" 1
52 1 14 THR MG 1 15 PRO HD2 . . 4.430 3.027 2.687 3.939 . 0 0 "[ . 1 .]" 1
53 1 14 THR MG 1 15 PRO QD . . 3.870 2.925 2.624 3.756 . 0 0 "[ . 1 .]" 1
54 1 14 THR MG 1 15 PRO HD3 . . 4.430 3.890 3.619 4.737 0.307 7 0 "[ . 1 .]" 1
55 1 14 THR MG 1 42 LYS QE . . 3.540 3.116 2.215 4.082 0.542 12 1 "[ . 1 + .]" 1
56 1 15 PRO QB 1 16 SER H . . 3.580 2.845 2.343 3.506 . 0 0 "[ . 1 .]" 1
57 1 15 PRO QD 1 42 LYS QE . . 4.150 3.327 2.240 4.668 0.518 12 1 "[ . 1 + .]" 1
58 1 16 SER H 1 16 SER QB . . 3.580 2.595 2.199 3.270 . 0 0 "[ . 1 .]" 1
59 1 16 SER HA 1 17 LEU H . . 3.450 2.634 2.185 3.521 0.071 7 0 "[ . 1 .]" 1
60 1 16 SER QB 1 18 THR H . . 5.370 4.775 2.525 5.652 0.282 3 0 "[ . 1 .]" 1
61 1 17 LEU H 1 17 LEU QB . . 3.480 2.329 2.137 2.840 . 0 0 "[ . 1 .]" 1
62 1 17 LEU H 1 17 LEU HG . . 4.800 3.933 2.478 4.705 . 0 0 "[ . 1 .]" 1
63 1 17 LEU HA 1 17 LEU MD1 . . 4.440 3.021 2.106 3.889 . 0 0 "[ . 1 .]" 1
64 1 17 LEU HA 1 17 LEU QD . . 3.650 2.305 2.024 3.013 . 0 0 "[ . 1 .]" 1
65 1 17 LEU HA 1 17 LEU MD2 . . 4.440 2.833 2.077 3.898 . 0 0 "[ . 1 .]" 1
66 1 17 LEU HA 1 17 LEU HG . . 3.970 3.030 2.306 3.747 . 0 0 "[ . 1 .]" 1
67 1 17 LEU QB 1 18 THR H . . 4.040 3.285 1.923 4.009 . 0 0 "[ . 1 .]" 1
68 1 17 LEU QB 1 18 THR HA . . 4.460 4.550 4.240 4.780 0.320 7 0 "[ . 1 .]" 1
69 1 17 LEU QD 1 18 THR H . . 4.550 3.399 2.397 4.096 . 0 0 "[ . 1 .]" 1
70 1 18 THR H 1 18 THR HB . . 3.970 2.903 2.592 3.397 . 0 0 "[ . 1 .]" 1
71 1 18 THR H 1 18 THR MG . . 4.410 3.597 2.025 4.064 . 0 0 "[ . 1 .]" 1
72 1 18 THR HA 1 18 THR MG . . 3.290 2.509 2.247 3.281 . 0 0 "[ . 1 .]" 1
73 1 18 THR HA 1 19 ARG H . . 3.460 2.393 2.141 3.588 0.128 15 0 "[ . 1 .]" 1
74 1 18 THR HA 1 19 ARG QB . . 4.620 4.352 4.006 4.626 0.006 8 0 "[ . 1 .]" 1
75 1 18 THR HA 1 19 ARG QG . . 5.330 4.425 3.729 5.685 0.355 15 0 "[ . 1 .]" 1
76 1 18 THR HB 1 19 ARG H . . 4.350 3.777 3.276 4.144 . 0 0 "[ . 1 .]" 1
77 1 18 THR MG 1 19 ARG H . . 4.900 2.437 1.916 3.107 . 0 0 "[ . 1 .]" 1
78 1 18 THR MG 1 19 ARG QB . . 3.830 3.912 2.886 4.143 0.313 14 0 "[ . 1 .]" 1
79 1 19 ARG H 1 19 ARG QB . . 3.490 2.446 2.231 2.890 . 0 0 "[ . 1 .]" 1
80 1 19 ARG H 1 19 ARG QG . . 4.310 2.746 2.099 4.291 . 0 0 "[ . 1 .]" 1
81 1 19 ARG HA 1 19 ARG QG . . 3.370 2.883 2.232 3.518 0.148 14 0 "[ . 1 .]" 1
82 1 19 ARG HA 1 20 ARG H . . 3.240 2.956 2.153 3.572 0.332 15 0 "[ . 1 .]" 1
83 1 19 ARG QB 1 20 ARG H . . 4.460 3.109 2.217 3.949 . 0 0 "[ . 1 .]" 1
84 1 19 ARG QG 1 20 ARG H . . 3.770 3.409 1.931 4.205 0.435 5 0 "[ . 1 .]" 1
85 1 20 ARG H 1 20 ARG QB . . 3.620 2.352 2.115 3.137 . 0 0 "[ . 1 .]" 1
86 1 20 ARG H 1 20 ARG QG . . 4.310 3.606 2.143 4.066 . 0 0 "[ . 1 .]" 1
87 1 20 ARG HA 1 21 ILE H . . 3.150 2.308 2.067 3.460 0.310 3 0 "[ . 1 .]" 1
88 1 20 ARG QB 1 20 ARG QG . . 2.390 2.072 2.002 2.131 . 0 0 "[ . 1 .]" 1
89 1 20 ARG QB 1 21 ILE H . . 4.310 3.236 2.438 3.957 . 0 0 "[ . 1 .]" 1
90 1 20 ARG QG 1 21 ILE H . . 4.610 3.288 1.890 4.609 . 0 0 "[ . 1 .]" 1
91 1 21 ILE H 1 21 ILE QG . . 4.480 3.328 2.140 4.129 . 0 0 "[ . 1 .]" 1
92 1 21 ILE HA 1 21 ILE MD . . 4.410 3.509 2.121 4.227 . 0 0 "[ . 1 .]" 1
93 1 21 ILE HA 1 21 ILE QG . . 3.600 2.901 2.264 3.372 . 0 0 "[ . 1 .]" 1
94 1 21 ILE HA 1 21 ILE MG . . 3.300 2.899 2.323 3.279 . 0 0 "[ . 1 .]" 1
95 1 21 ILE HA 1 22 ASP H . . 3.380 2.464 2.100 3.493 0.113 3 0 "[ . 1 .]" 1
96 1 21 ILE HB 1 22 ASP H . . 4.330 3.382 2.080 4.375 0.045 3 0 "[ . 1 .]" 1
97 1 21 ILE MD 1 22 ASP H . . 4.670 3.693 2.160 5.131 0.461 3 0 "[ . 1 .]" 1
98 1 21 ILE QG 1 22 ASP H . . 5.340 2.848 1.986 3.903 . 0 0 "[ . 1 .]" 1
99 1 21 ILE QG 1 22 ASP HA . . 4.820 4.054 3.483 4.528 . 0 0 "[ . 1 .]" 1
100 1 21 ILE QG 1 22 ASP QB . . 4.560 4.405 3.646 4.845 0.285 13 0 "[ . 1 .]" 1
101 1 22 ASP H 1 22 ASP QB . . 3.600 2.478 2.035 2.863 . 0 0 "[ . 1 .]" 1
102 1 22 ASP H 1 25 ILE MD . . 4.570 2.661 1.782 5.073 0.503 6 1 "[ .+ 1 .]" 1
103 1 22 ASP H 1 45 LYS QE . . 4.150 4.104 3.305 4.921 0.771 3 1 "[ + . 1 .]" 1
104 1 22 ASP HA 1 23 ASP H . . 3.390 2.402 2.158 3.420 0.030 13 0 "[ . 1 .]" 1
105 1 22 ASP HA 1 24 THR H . . 4.680 3.825 3.119 4.292 . 0 0 "[ . 1 .]" 1
106 1 22 ASP HA 1 25 ILE HB . . 5.500 5.445 4.318 5.743 0.243 10 0 "[ . 1 .]" 1
107 1 22 ASP HA 1 25 ILE MD . . 4.890 4.105 2.522 4.555 . 0 0 "[ . 1 .]" 1
108 1 22 ASP HA 1 45 LYS QE . . 3.890 3.908 2.860 4.173 0.283 3 0 "[ . 1 .]" 1
109 1 22 ASP QB 1 45 LYS QD . . 4.930 3.923 3.009 5.798 0.868 6 1 "[ .+ 1 .]" 1
110 1 22 ASP QB 1 45 LYS QG . . 4.260 3.303 2.229 4.537 0.277 6 0 "[ . 1 .]" 1
111 1 23 ASP H 1 23 ASP QB . . 2.990 2.387 2.164 2.530 . 0 0 "[ . 1 .]" 1
112 1 23 ASP H 1 24 THR HB . . 5.070 5.239 4.904 5.545 0.475 9 0 "[ . 1 .]" 1
113 1 23 ASP HA 1 24 THR HA . . 5.060 4.872 4.776 4.975 . 0 0 "[ . 1 .]" 1
114 1 23 ASP HA 1 25 ILE H . . 4.460 3.820 3.673 4.179 . 0 0 "[ . 1 .]" 1
115 1 23 ASP HA 1 25 ILE HB . . 5.420 4.378 4.075 4.743 . 0 0 "[ . 1 .]" 1
116 1 23 ASP HA 1 26 PHE H . . 4.540 3.372 3.142 3.678 . 0 0 "[ . 1 .]" 1
117 1 23 ASP HA 1 26 PHE HD2 . . 5.490 4.962 4.366 5.644 0.154 2 0 "[ . 1 .]" 1
118 1 23 ASP HA 1 27 GLN QB . . 5.340 5.213 5.019 5.424 0.084 13 0 "[ . 1 .]" 1
119 1 23 ASP QB 1 24 THR H . . 4.020 3.018 2.723 3.794 . 0 0 "[ . 1 .]" 1
120 1 23 ASP QB 1 24 THR HA . . 3.980 4.198 3.858 4.588 0.608 12 1 "[ . 1 + .]" 1
121 1 23 ASP QB 1 25 ILE H . . 4.750 4.776 4.686 4.993 0.243 12 0 "[ . 1 .]" 1
122 1 24 THR H 1 24 THR HB . . 3.550 2.662 2.538 2.870 . 0 0 "[ . 1 .]" 1
123 1 24 THR H 1 24 THR MG . . 3.920 3.780 3.703 3.827 . 0 0 "[ . 1 .]" 1
124 1 24 THR H 1 25 ILE HB . . 5.060 4.923 4.775 5.097 0.037 15 0 "[ . 1 .]" 1
125 1 24 THR H 1 27 GLN QB . . 5.240 5.231 4.382 5.641 0.401 1 0 "[ . 1 .]" 1
126 1 24 THR H 1 27 GLN QE . . 5.050 4.650 3.610 5.470 0.420 13 0 "[ . 1 .]" 1
127 1 24 THR HA 1 24 THR MG . . 3.220 2.320 2.226 2.424 . 0 0 "[ . 1 .]" 1
128 1 24 THR HA 1 27 GLN H . . 4.530 3.311 3.036 3.699 . 0 0 "[ . 1 .]" 1
129 1 24 THR HA 1 27 GLN QB . . 3.290 3.326 2.092 4.052 0.762 3 2 "[ + . 1 -.]" 1
130 1 24 THR HA 1 27 GLN QG . . 4.100 2.219 2.052 3.089 . 0 0 "[ . 1 .]" 1
131 1 24 THR HB 1 25 ILE H . . 3.480 3.070 2.835 3.280 . 0 0 "[ . 1 .]" 1
132 1 24 THR HB 1 25 ILE MD . . 5.180 5.017 4.497 5.355 0.175 5 0 "[ . 1 .]" 1
133 1 24 THR HB 1 26 PHE H . . 5.440 5.409 5.107 5.660 0.220 5 0 "[ . 1 .]" 1
134 1 24 THR HB 1 27 GLN QG . . 5.500 4.812 4.589 5.718 0.218 9 0 "[ . 1 .]" 1
135 1 24 THR HB 1 48 MET HB3 . . 5.060 4.040 3.161 4.665 . 0 0 "[ . 1 .]" 1
136 1 24 THR MG 1 25 ILE H . . 4.120 3.946 3.768 4.086 . 0 0 "[ . 1 .]" 1
137 1 24 THR MG 1 25 ILE HA . . 4.060 4.123 3.866 4.384 0.324 9 0 "[ . 1 .]" 1
138 1 24 THR MG 1 27 GLN H . . 5.100 4.727 4.441 5.118 0.018 3 0 "[ . 1 .]" 1
139 1 24 THR MG 1 48 MET ME . . 4.040 3.964 3.850 4.103 0.063 15 0 "[ . 1 .]" 1
140 1 24 THR MG 1 48 MET QG . . 4.230 3.309 2.860 3.586 . 0 0 "[ . 1 .]" 1
141 1 25 ILE H 1 25 ILE HB . . 3.440 2.416 2.313 2.501 . 0 0 "[ . 1 .]" 1
142 1 25 ILE H 1 25 ILE QG . . 4.170 2.309 2.086 2.565 . 0 0 "[ . 1 .]" 1
143 1 25 ILE H 1 25 ILE MG . . 4.360 3.780 3.743 3.814 . 0 0 "[ . 1 .]" 1
144 1 25 ILE HA 1 25 ILE MD . . 3.950 3.896 3.853 3.923 . 0 0 "[ . 1 .]" 1
145 1 25 ILE HA 1 25 ILE QG . . 3.850 2.426 2.368 2.462 . 0 0 "[ . 1 .]" 1
146 1 25 ILE HA 1 25 ILE MG . . 3.190 2.505 2.453 2.587 . 0 0 "[ . 1 .]" 1
147 1 25 ILE HA 1 27 GLN H . . 4.700 4.839 4.550 4.931 0.231 3 0 "[ . 1 .]" 1
148 1 25 ILE HA 1 28 ASN H . . 4.910 4.171 3.850 4.324 . 0 0 "[ . 1 .]" 1
149 1 25 ILE HA 1 28 ASN QB . . 4.720 4.393 4.004 4.752 0.032 9 0 "[ . 1 .]" 1
150 1 25 ILE HA 1 31 VAL HA . . 5.400 5.301 5.097 5.444 0.044 8 0 "[ . 1 .]" 1
151 1 25 ILE HA 1 32 GLN H . . 5.250 5.165 4.856 5.390 0.140 14 0 "[ . 1 .]" 1
152 1 25 ILE HA 1 41 PHE QD . . 5.500 5.306 5.098 5.478 . 0 0 "[ . 1 .]" 1
153 1 25 ILE HA 1 41 PHE QE . . 5.200 4.791 4.453 4.968 . 0 0 "[ . 1 .]" 1
154 1 25 ILE HA 1 45 LYS HA . . 5.500 5.370 5.030 5.597 0.097 7 0 "[ . 1 .]" 1
155 1 25 ILE HB 1 25 ILE MD . . 3.080 2.364 2.250 2.422 . 0 0 "[ . 1 .]" 1
156 1 25 ILE HB 1 26 PHE H . . 3.500 2.637 2.469 2.809 . 0 0 "[ . 1 .]" 1
157 1 25 ILE HB 1 27 GLN H . . 5.500 5.131 4.938 5.304 . 0 0 "[ . 1 .]" 1
158 1 25 ILE HB 1 41 PHE QE . . 4.530 4.716 4.533 4.985 0.455 12 0 "[ . 1 .]" 1
159 1 25 ILE MD 1 41 PHE QD . . 3.620 2.423 2.246 2.703 . 0 0 "[ . 1 .]" 1
160 1 25 ILE MD 1 41 PHE QE . . 3.850 3.165 2.906 3.625 . 0 0 "[ . 1 .]" 1
161 1 25 ILE MD 1 45 LYS HA . . 4.090 4.538 4.189 4.798 0.708 5 5 "[ + * -* *.]" 1
162 1 25 ILE MD 1 45 LYS QE . . 3.960 3.878 3.468 4.428 0.468 11 0 "[ . 1 .]" 1
163 1 25 ILE QG 1 25 ILE MG . . 3.200 2.305 2.199 2.358 . 0 0 "[ . 1 .]" 1
164 1 25 ILE QG 1 32 GLN H . . 5.500 5.892 5.601 6.161 0.661 14 4 "[ * - 1 * +.]" 1
165 1 25 ILE QG 1 41 PHE QB . . 4.910 4.646 4.362 4.845 . 0 0 "[ . 1 .]" 1
166 1 25 ILE QG 1 41 PHE QD . . 5.310 2.889 2.553 3.274 . 0 0 "[ . 1 .]" 1
167 1 25 ILE QG 1 41 PHE QE . . 4.670 3.378 2.844 4.150 . 0 0 "[ . 1 .]" 1
168 1 25 ILE MG 1 26 PHE H . . 3.390 3.301 3.193 3.441 0.051 3 0 "[ . 1 .]" 1
169 1 25 ILE MG 1 26 PHE HA . . 3.490 3.393 3.275 3.530 0.040 12 0 "[ . 1 .]" 1
170 1 25 ILE MG 1 26 PHE QB . . 3.930 3.857 3.444 4.176 0.246 12 0 "[ . 1 .]" 1
171 1 25 ILE MG 1 27 GLN H . . 4.720 5.180 5.117 5.313 0.593 3 3 "[ -+ . 1 *]" 1
172 1 25 ILE MG 1 32 GLN HA . . 4.980 4.600 4.433 4.742 . 0 0 "[ . 1 .]" 1
173 1 25 ILE MG 1 32 GLN QB . . 5.300 5.034 4.843 5.212 . 0 0 "[ . 1 .]" 1
174 1 25 ILE MG 1 32 GLN HG2 . . 4.760 3.794 3.190 4.815 0.055 12 0 "[ . 1 .]" 1
175 1 25 ILE MG 1 32 GLN QG . . 3.980 3.440 3.002 3.997 0.017 12 0 "[ . 1 .]" 1
176 1 25 ILE MG 1 32 GLN HG3 . . 4.760 4.189 3.300 4.900 0.140 9 0 "[ . 1 .]" 1
177 1 25 ILE MG 1 41 PHE QE . . 3.110 2.145 2.051 2.199 . 0 0 "[ . 1 .]" 1
178 1 26 PHE H 1 26 PHE QB . . 3.680 2.188 2.094 2.248 . 0 0 "[ . 1 .]" 1
179 1 26 PHE H 1 26 PHE HD1 . . 5.500 4.876 4.720 5.013 . 0 0 "[ . 1 .]" 1
180 1 26 PHE H 1 26 PHE HD2 . . 5.160 4.518 4.227 4.787 . 0 0 "[ . 1 .]" 1
181 1 26 PHE HA 1 26 PHE HD1 . . 3.780 2.740 2.192 3.884 0.104 3 0 "[ . 1 .]" 1
182 1 26 PHE HA 1 27 GLN QG . . 5.500 5.610 5.114 5.837 0.337 15 0 "[ . 1 .]" 1
183 1 26 PHE QB 1 27 GLN H . . 3.700 2.641 2.439 2.929 . 0 0 "[ . 1 .]" 1
184 1 26 PHE HD1 1 27 GLN HA . . 5.330 4.580 3.275 5.545 0.215 9 0 "[ . 1 .]" 1
185 1 26 PHE HD1 1 28 ASN H . . 5.500 5.788 5.586 6.107 0.607 9 2 "[ . +1- .]" 1
186 1 27 GLN H 1 27 GLN HB2 . . 3.880 3.455 2.563 3.622 . 0 0 "[ . 1 .]" 1
187 1 27 GLN H 1 27 GLN QB . . 3.330 2.333 2.220 2.552 . 0 0 "[ . 1 .]" 1
188 1 27 GLN H 1 27 GLN HB3 . . 3.880 2.504 2.243 3.635 . 0 0 "[ . 1 .]" 1
189 1 27 GLN H 1 27 GLN QG . . 3.480 2.644 2.239 2.938 . 0 0 "[ . 1 .]" 1
190 1 27 GLN H 1 28 ASN QB . . 4.570 4.479 4.225 4.679 0.109 9 0 "[ . 1 .]" 1
191 1 27 GLN HA 1 27 GLN QG . . 3.470 3.220 2.454 3.349 . 0 0 "[ . 1 .]" 1
192 1 27 GLN HB2 1 28 ASN H . . 4.530 4.194 3.051 4.409 . 0 0 "[ . 1 .]" 1
193 1 27 GLN HB3 1 28 ASN H . . 4.530 4.119 4.003 4.268 . 0 0 "[ . 1 .]" 1
194 1 27 GLN QG 1 28 ASN HA . . 5.500 4.005 3.610 6.038 0.538 9 2 "[ . +- .]" 1
195 1 28 ASN H 1 29 PRO HD2 . . 5.320 4.767 4.682 4.863 . 0 0 "[ . 1 .]" 1
196 1 28 ASN H 1 29 PRO HD3 . . 4.840 4.211 4.069 4.368 . 0 0 "[ . 1 .]" 1
197 1 28 ASN H 1 31 VAL QG . . 3.820 3.846 3.718 3.977 0.157 1 0 "[ . 1 .]" 1
198 1 28 ASN HA 1 28 ASN HD21 . . 4.300 3.744 3.194 4.354 0.054 9 0 "[ . 1 .]" 1
199 1 28 ASN HA 1 28 ASN HD22 . . 4.810 4.082 3.687 4.495 . 0 0 "[ . 1 .]" 1
200 1 28 ASN HA 1 29 PRO QB . . 5.230 4.694 4.639 4.754 . 0 0 "[ . 1 .]" 1
201 1 28 ASN HA 1 29 PRO HD2 . . 3.360 2.164 2.105 2.193 . 0 0 "[ . 1 .]" 1
202 1 28 ASN HA 1 29 PRO HD3 . . 3.670 2.562 2.472 2.658 . 0 0 "[ . 1 .]" 1
203 1 28 ASN HA 1 29 PRO HG2 . . 4.980 4.378 4.316 4.403 . 0 0 "[ . 1 .]" 1
204 1 28 ASN HA 1 29 PRO HG3 . . 4.690 4.575 4.540 4.631 . 0 0 "[ . 1 .]" 1
205 1 28 ASN HA 1 30 MET H . . 3.780 3.860 3.769 3.935 0.155 6 0 "[ . 1 .]" 1
206 1 28 ASN HA 1 30 MET HB2 . . 5.500 5.226 4.927 5.430 . 0 0 "[ . 1 .]" 1
207 1 28 ASN HA 1 30 MET HG3 . . 5.440 5.151 4.957 5.417 . 0 0 "[ . 1 .]" 1
208 1 28 ASN HA 1 31 VAL QG . . 4.930 4.642 4.472 4.835 . 0 0 "[ . 1 .]" 1
209 1 28 ASN QB 1 31 VAL H . . 5.080 3.758 3.383 3.961 . 0 0 "[ . 1 .]" 1
210 1 28 ASN QB 1 31 VAL MG1 . . 5.160 4.845 4.522 5.157 . 0 0 "[ . 1 .]" 1
211 1 28 ASN QB 1 31 VAL QG . . 3.900 2.478 2.166 2.670 . 0 0 "[ . 1 .]" 1
212 1 28 ASN QB 1 31 VAL MG2 . . 5.160 2.486 2.170 2.679 . 0 0 "[ . 1 .]" 1
213 1 28 ASN QB 1 32 GLN H . . 5.500 5.941 5.542 6.185 0.685 5 7 "[** +* *-* .]" 1
214 1 28 ASN HD21 1 29 PRO HD2 . . 5.060 4.422 3.737 5.270 0.210 12 0 "[ . 1 .]" 1
215 1 28 ASN HD21 1 30 MET HG3 . . 4.880 3.993 3.286 5.055 0.175 12 0 "[ . 1 .]" 1
216 1 28 ASN HD21 1 31 VAL H . . 4.710 3.293 2.871 3.721 . 0 0 "[ . 1 .]" 1
217 1 28 ASN HD21 1 31 VAL HA . . 5.300 4.940 4.567 5.531 0.231 15 0 "[ . 1 .]" 1
218 1 28 ASN HD21 1 31 VAL HB . . 5.360 4.946 4.514 5.446 0.086 15 0 "[ . 1 .]" 1
219 1 28 ASN HD21 1 31 VAL QG . . 4.150 2.807 2.307 3.392 . 0 0 "[ . 1 .]" 1
220 1 28 ASN HD22 1 29 PRO HD2 . . 4.670 4.445 3.905 5.005 0.335 12 0 "[ . 1 .]" 1
221 1 28 ASN HD22 1 30 MET HA . . 5.500 5.524 5.163 6.378 0.878 15 2 "[ . 1 - +]" 1
222 1 28 ASN HD22 1 30 MET ME . . 3.770 3.385 3.178 3.897 0.127 15 0 "[ . 1 .]" 1
223 1 28 ASN HD22 1 31 VAL QG . . 5.290 4.250 3.791 4.656 . 0 0 "[ . 1 .]" 1
224 1 28 ASN HD22 1 48 MET ME . . 3.540 2.679 2.448 3.157 . 0 0 "[ . 1 .]" 1
225 1 28 ASN HD22 1 65 LEU MD1 . . 5.140 4.541 4.073 5.203 0.063 15 0 "[ . 1 .]" 1
226 1 28 ASN HD22 1 65 LEU HG . . 5.500 5.515 5.245 6.128 0.628 15 2 "[ . - 1 +]" 1
227 1 29 PRO HA 1 31 VAL H . . 4.810 3.565 3.514 3.603 . 0 0 "[ . 1 .]" 1
228 1 29 PRO HA 1 31 VAL QG . . 4.930 4.447 4.354 4.528 . 0 0 "[ . 1 .]" 1
229 1 29 PRO HA 1 32 GLN H . . 4.220 3.571 3.429 3.780 . 0 0 "[ . 1 .]" 1
230 1 29 PRO HA 1 32 GLN QG . . 4.540 3.584 3.027 4.812 0.272 14 0 "[ . 1 .]" 1
231 1 29 PRO HA 1 33 GLU H . . 5.110 5.128 4.890 5.347 0.237 5 0 "[ . 1 .]" 1
232 1 29 PRO HD2 1 30 MET H . . 3.830 2.990 2.850 3.049 . 0 0 "[ . 1 .]" 1
233 1 29 PRO HD2 1 30 MET HG3 . . 3.820 3.881 3.657 4.106 0.286 3 0 "[ . 1 .]" 1
234 1 29 PRO HG2 1 30 MET H . . 3.230 2.836 2.613 2.927 . 0 0 "[ . 1 .]" 1
235 1 29 PRO HG2 1 30 MET HA . . 4.420 4.529 4.406 4.592 0.172 13 0 "[ . 1 .]" 1
236 1 30 MET H 1 30 MET HB2 . . 3.490 2.515 2.438 2.605 . 0 0 "[ . 1 .]" 1
237 1 30 MET H 1 30 MET ME . . 4.910 4.552 4.394 4.661 . 0 0 "[ . 1 .]" 1
238 1 30 MET H 1 30 MET HG2 . . 4.000 3.542 3.455 3.660 . 0 0 "[ . 1 .]" 1
239 1 30 MET H 1 30 MET HG3 . . 4.200 2.185 2.071 2.299 . 0 0 "[ . 1 .]" 1
240 1 30 MET H 1 31 VAL H . . 3.620 2.770 2.706 2.819 . 0 0 "[ . 1 .]" 1
241 1 30 MET H 1 31 VAL HB . . 5.220 5.010 4.927 5.078 . 0 0 "[ . 1 .]" 1
242 1 30 MET H 1 31 VAL QG . . 4.240 4.111 4.031 4.223 . 0 0 "[ . 1 .]" 1
243 1 30 MET H 1 32 GLN H . . 4.980 4.879 4.787 4.999 0.019 14 0 "[ . 1 .]" 1
244 1 30 MET H 1 48 MET ME . . 4.790 4.362 4.142 4.638 . 0 0 "[ . 1 .]" 1
245 1 30 MET HA 1 30 MET HG2 . . 3.800 2.674 2.569 2.737 . 0 0 "[ . 1 .]" 1
246 1 30 MET HA 1 62 LEU QD . . 3.450 2.600 2.451 3.158 . 0 0 "[ . 1 .]" 1
247 1 30 MET HB2 1 31 VAL H . . 5.340 3.030 2.951 3.096 . 0 0 "[ . 1 .]" 1
248 1 30 MET HB3 1 31 VAL H . . 4.030 3.953 3.838 4.034 0.004 4 0 "[ . 1 .]" 1
249 1 30 MET HB3 1 62 LEU QD . . 4.290 2.300 2.150 2.907 . 0 0 "[ . 1 .]" 1
250 1 30 MET ME 1 30 MET HG2 . . 2.880 2.626 2.544 2.747 . 0 0 "[ . 1 .]" 1
251 1 30 MET ME 1 30 MET HG3 . . 3.550 3.439 3.433 3.448 . 0 0 "[ . 1 .]" 1
252 1 30 MET ME 1 59 TYR H . . 4.250 4.238 3.935 4.476 0.226 5 0 "[ . 1 .]" 1
253 1 30 MET ME 1 59 TYR HB2 . . 3.350 2.479 2.367 2.569 . 0 0 "[ . 1 .]" 1
254 1 30 MET ME 1 59 TYR HB3 . . 3.370 2.349 2.188 2.551 . 0 0 "[ . 1 .]" 1
255 1 30 MET ME 1 59 TYR HD2 . . 4.500 4.216 3.891 4.371 . 0 0 "[ . 1 .]" 1
256 1 30 MET ME 1 60 LYS HA . . 4.050 3.957 3.372 4.390 0.340 15 0 "[ . 1 .]" 1
257 1 30 MET ME 1 61 SER H . . 3.750 2.821 2.382 3.165 . 0 0 "[ . 1 .]" 1
258 1 30 MET ME 1 61 SER HA . . 3.170 2.904 2.523 3.402 0.232 14 0 "[ . 1 .]" 1
259 1 30 MET ME 1 61 SER HB2 . . 5.220 4.575 4.414 4.880 . 0 0 "[ . 1 .]" 1
260 1 30 MET ME 1 61 SER QB . . 4.460 4.046 3.942 4.248 . 0 0 "[ . 1 .]" 1
261 1 30 MET ME 1 61 SER HB3 . . 5.220 4.527 4.327 4.800 . 0 0 "[ . 1 .]" 1
262 1 30 MET ME 1 62 LEU H . . 3.550 3.190 3.011 3.469 . 0 0 "[ . 1 .]" 1
263 1 30 MET ME 1 62 LEU HA . . 3.170 2.724 2.429 2.879 . 0 0 "[ . 1 .]" 1
264 1 30 MET ME 1 62 LEU QD . . 3.140 2.297 2.202 2.550 . 0 0 "[ . 1 .]" 1
265 1 30 MET ME 1 63 GLU H . . 4.580 4.864 4.781 4.955 0.375 14 0 "[ . 1 .]" 1
266 1 30 MET ME 1 65 LEU MD1 . . 3.220 2.194 2.100 2.291 . 0 0 "[ . 1 .]" 1
267 1 30 MET ME 1 65 LEU MD2 . . 3.840 4.067 3.833 4.220 0.380 9 0 "[ . 1 .]" 1
268 1 30 MET ME 1 65 LEU HG . . 4.350 2.868 2.611 3.048 . 0 0 "[ . 1 .]" 1
269 1 30 MET HG2 1 61 SER HA . . 4.830 4.367 4.034 4.605 . 0 0 "[ . 1 .]" 1
270 1 30 MET HG2 1 62 LEU H . . 5.220 4.382 4.195 4.523 . 0 0 "[ . 1 .]" 1
271 1 30 MET HG2 1 62 LEU HA . . 4.820 4.675 4.314 4.892 0.072 10 0 "[ . 1 .]" 1
272 1 30 MET HG2 1 62 LEU QD . . 3.680 2.236 2.097 2.622 . 0 0 "[ . 1 .]" 1
273 1 30 MET HG2 1 62 LEU HG . . 5.000 4.649 3.378 4.992 . 0 0 "[ . 1 .]" 1
274 1 30 MET HG2 1 65 LEU MD1 . . 4.350 4.183 4.009 4.342 . 0 0 "[ . 1 .]" 1
275 1 30 MET HG3 1 61 SER HA . . 5.500 5.540 5.244 5.765 0.265 5 0 "[ . 1 .]" 1
276 1 30 MET HG3 1 65 LEU MD1 . . 4.350 4.784 4.522 4.878 0.528 12 5 "[ -* *1 + *.]" 1
277 1 31 VAL H 1 31 VAL HB . . 3.660 2.477 2.440 2.528 . 0 0 "[ . 1 .]" 1
278 1 31 VAL H 1 31 VAL MG1 . . 3.950 3.798 3.786 3.819 . 0 0 "[ . 1 .]" 1
279 1 31 VAL H 1 31 VAL QG . . 3.250 2.245 2.204 2.343 . 0 0 "[ . 1 .]" 1
280 1 31 VAL H 1 31 VAL MG2 . . 3.950 2.262 2.218 2.365 . 0 0 "[ . 1 .]" 1
281 1 31 VAL H 1 32 GLN HA . . 5.500 5.487 5.444 5.530 0.030 5 0 "[ . 1 .]" 1
282 1 31 VAL HA 1 31 VAL MG1 . . 3.280 2.451 2.407 2.498 . 0 0 "[ . 1 .]" 1
283 1 31 VAL HA 1 31 VAL QG . . 2.840 2.127 2.082 2.154 . 0 0 "[ . 1 .]" 1
284 1 31 VAL HA 1 31 VAL MG2 . . 3.280 2.335 2.260 2.429 . 0 0 "[ . 1 .]" 1
285 1 31 VAL HA 1 34 ALA H . . 4.400 3.511 3.464 3.633 . 0 0 "[ . 1 .]" 1
286 1 31 VAL HA 1 34 ALA MB . . 3.490 2.910 2.812 3.084 . 0 0 "[ . 1 .]" 1
287 1 31 VAL HA 1 35 ILE H . . 5.070 4.386 4.276 4.554 . 0 0 "[ . 1 .]" 1
288 1 31 VAL HA 1 35 ILE MD . . 3.990 3.619 3.516 3.720 . 0 0 "[ . 1 .]" 1
289 1 31 VAL HA 1 44 ILE MG . . 3.210 2.063 1.955 2.135 . 0 0 "[ . 1 .]" 1
290 1 31 VAL HA 1 65 LEU MD1 . . 4.300 3.235 3.103 3.342 . 0 0 "[ . 1 .]" 1
291 1 31 VAL HA 1 69 LEU QD . . 5.500 5.023 4.850 5.141 . 0 0 "[ . 1 .]" 1
292 1 31 VAL HB 1 32 GLN H . . 3.910 2.478 2.382 2.550 . 0 0 "[ . 1 .]" 1
293 1 31 VAL HB 1 41 PHE QD . . 5.500 5.907 5.661 6.081 0.581 2 3 "[ + . - 1 * .]" 1
294 1 31 VAL HB 1 48 MET ME . . 4.970 4.590 4.308 4.745 . 0 0 "[ . 1 .]" 1
295 1 31 VAL QG 1 32 GLN H . . 3.450 3.006 2.950 3.073 . 0 0 "[ . 1 .]" 1
296 1 31 VAL QG 1 41 PHE QD . . 3.170 3.263 3.114 3.391 0.221 13 0 "[ . 1 .]" 1
297 1 31 VAL QG 1 41 PHE QE . . 3.040 2.900 2.648 3.064 0.024 9 0 "[ . 1 .]" 1
298 1 31 VAL QG 1 41 PHE HZ . . 5.280 4.459 4.148 4.746 . 0 0 "[ . 1 .]" 1
299 1 31 VAL QG 1 48 MET ME . . 3.600 2.265 2.027 2.444 . 0 0 "[ . 1 .]" 1
300 1 31 VAL MG1 1 32 GLN H . . 4.110 3.121 3.054 3.203 . 0 0 "[ . 1 .]" 1
301 1 31 VAL MG2 1 32 GLN H . . 4.110 3.923 3.870 3.964 . 0 0 "[ . 1 .]" 1
302 1 32 GLN H 1 32 GLN QB . . 3.400 2.496 2.339 2.610 . 0 0 "[ . 1 .]" 1
303 1 32 GLN H 1 32 GLN HG2 . . 4.250 2.743 2.036 3.851 . 0 0 "[ . 1 .]" 1
304 1 32 GLN H 1 32 GLN QG . . 3.510 2.266 2.024 3.375 . 0 0 "[ . 1 .]" 1
305 1 32 GLN H 1 32 GLN HG3 . . 4.250 3.057 2.143 3.749 . 0 0 "[ . 1 .]" 1
306 1 32 GLN H 1 35 ILE MD . . 4.100 4.140 4.026 4.219 0.119 2 0 "[ . 1 .]" 1
307 1 32 GLN HA 1 32 GLN QG . . 3.630 2.720 2.370 3.132 . 0 0 "[ . 1 .]" 1
308 1 32 GLN HA 1 33 GLU HA . . 5.060 4.872 4.854 4.898 . 0 0 "[ . 1 .]" 1
309 1 32 GLN HA 1 34 ALA H . . 4.470 4.372 4.140 4.577 0.107 15 0 "[ . 1 .]" 1
310 1 32 GLN HA 1 35 ILE H . . 4.530 3.682 3.488 3.855 . 0 0 "[ . 1 .]" 1
311 1 32 GLN HA 1 35 ILE HB . . 4.150 3.148 3.014 3.302 . 0 0 "[ . 1 .]" 1
312 1 32 GLN HA 1 35 ILE MD . . 3.490 2.709 2.492 2.864 . 0 0 "[ . 1 .]" 1
313 1 32 GLN HA 1 35 ILE MG . . 4.410 4.496 4.416 4.622 0.212 9 0 "[ . 1 .]" 1
314 1 32 GLN HA 1 36 ARG H . . 4.760 4.210 4.066 4.345 . 0 0 "[ . 1 .]" 1
315 1 32 GLN HA 1 41 PHE HZ . . 5.170 3.983 3.586 4.169 . 0 0 "[ . 1 .]" 1
316 1 32 GLN QB 1 33 GLU H . . 3.950 2.561 2.343 2.721 . 0 0 "[ . 1 .]" 1
317 1 32 GLN QB 1 41 PHE QE . . 5.500 5.174 4.884 5.359 . 0 0 "[ . 1 .]" 1
318 1 32 GLN QE 1 35 ILE MD . . 5.340 4.898 4.199 5.551 0.211 3 0 "[ . 1 .]" 1
319 1 33 GLU H 1 33 GLU QG . . 3.930 3.991 3.940 4.036 0.106 1 0 "[ . 1 .]" 1
320 1 33 GLU HA 1 33 GLU QG . . 3.400 3.128 3.057 3.213 . 0 0 "[ . 1 .]" 1
321 1 33 GLU HA 1 36 ARG QB . . 3.200 2.456 2.260 3.302 0.102 6 0 "[ . 1 .]" 1
322 1 33 GLU HA 1 36 ARG QD . . 4.250 3.245 2.422 3.966 . 0 0 "[ . 1 .]" 1
323 1 33 GLU QB 1 34 ALA H . . 4.640 2.811 2.718 2.935 . 0 0 "[ . 1 .]" 1
324 1 33 GLU QG 1 34 ALA H . . 4.330 3.685 3.468 3.882 . 0 0 "[ . 1 .]" 1
325 1 33 GLU QG 1 34 ALA HA . . 3.330 3.806 3.653 3.983 0.653 6 5 "[ - *+ 1 ** .]" 1
326 1 33 GLU QG 1 62 LEU HA . . 4.490 5.116 4.837 5.367 0.877 5 12 "[*** +*** **** -]" 1
327 1 33 GLU QG 1 62 LEU QD . . 3.420 2.189 1.877 2.403 . 0 0 "[ . 1 .]" 1
328 1 34 ALA H 1 34 ALA MB . . 3.050 2.251 2.236 2.274 . 0 0 "[ . 1 .]" 1
329 1 34 ALA H 1 35 ILE H . . 3.590 2.826 2.725 2.928 . 0 0 "[ . 1 .]" 1
330 1 34 ALA H 1 35 ILE MD . . 4.360 3.949 3.762 4.076 . 0 0 "[ . 1 .]" 1
331 1 34 ALA H 1 65 LEU MD1 . . 4.550 4.016 3.918 4.073 . 0 0 "[ . 1 .]" 1
332 1 34 ALA H 1 69 LEU QD . . 5.110 5.133 4.983 5.203 0.093 10 0 "[ . 1 .]" 1
333 1 34 ALA HA 1 37 MET H . . 3.980 3.582 3.480 3.877 . 0 0 "[ . 1 .]" 1
334 1 34 ALA HA 1 37 MET QB . . 3.820 3.544 3.348 3.814 . 0 0 "[ . 1 .]" 1
335 1 34 ALA HA 1 37 MET ME . . 3.260 3.509 3.442 3.588 0.328 11 0 "[ . 1 .]" 1
336 1 34 ALA HA 1 37 MET QG . . 4.200 2.996 2.864 3.126 . 0 0 "[ . 1 .]" 1
337 1 34 ALA HA 1 39 PHE HD2 . . 4.140 3.217 3.062 3.387 . 0 0 "[ . 1 .]" 1
338 1 34 ALA HA 1 44 ILE MD . . 4.450 4.153 4.003 4.325 . 0 0 "[ . 1 .]" 1
339 1 34 ALA HA 1 66 VAL HA . . 5.500 5.797 5.549 5.880 0.380 6 0 "[ . 1 .]" 1
340 1 34 ALA HA 1 66 VAL MG1 . . 5.110 3.337 3.207 3.408 . 0 0 "[ . 1 .]" 1
341 1 34 ALA HA 1 69 LEU QD . . 4.970 4.013 3.901 4.111 . 0 0 "[ . 1 .]" 1
342 1 34 ALA MB 1 35 ILE H . . 3.640 2.469 2.437 2.527 . 0 0 "[ . 1 .]" 1
343 1 34 ALA MB 1 35 ILE MD . . 3.050 2.982 2.861 3.090 0.040 4 0 "[ . 1 .]" 1
344 1 34 ALA MB 1 35 ILE QG . . 3.590 3.924 3.847 4.052 0.462 15 0 "[ . 1 .]" 1
345 1 34 ALA MB 1 37 MET H . . 5.120 4.664 4.596 4.790 . 0 0 "[ . 1 .]" 1
346 1 34 ALA MB 1 37 MET ME . . 4.180 4.227 4.164 4.297 0.117 11 0 "[ . 1 .]" 1
347 1 34 ALA MB 1 37 MET QG . . 5.190 4.453 4.346 4.550 . 0 0 "[ . 1 .]" 1
348 1 34 ALA MB 1 39 PHE H . . 4.850 4.857 4.714 4.931 0.081 15 0 "[ . 1 .]" 1
349 1 34 ALA MB 1 39 PHE HB2 . . 4.560 3.352 3.210 3.517 . 0 0 "[ . 1 .]" 1
350 1 34 ALA MB 1 39 PHE HB3 . . 3.790 4.117 4.022 4.301 0.511 15 2 "[ . 1 - +]" 1
351 1 34 ALA MB 1 39 PHE HD2 . . 3.650 3.087 2.899 3.210 . 0 0 "[ . 1 .]" 1
352 1 34 ALA MB 1 39 PHE HE2 . . 4.180 4.207 4.120 4.265 0.085 11 0 "[ . 1 .]" 1
353 1 34 ALA MB 1 40 SER H . . 5.410 6.028 5.721 6.423 1.013 13 12 "[*** . *****-+**]" 1
354 1 34 ALA MB 1 44 ILE HA . . 5.100 4.400 4.213 4.519 . 0 0 "[ . 1 .]" 1
355 1 34 ALA MB 1 44 ILE HB . . 4.790 4.151 4.019 4.262 . 0 0 "[ . 1 .]" 1
356 1 34 ALA MB 1 44 ILE MD . . 3.010 2.158 2.068 2.249 . 0 0 "[ . 1 .]" 1
357 1 34 ALA MB 1 44 ILE HG12 . . 4.270 3.773 3.713 3.832 . 0 0 "[ . 1 .]" 1
358 1 34 ALA MB 1 44 ILE HG13 . . 4.620 2.351 2.269 2.433 . 0 0 "[ . 1 .]" 1
359 1 34 ALA MB 1 65 LEU HB3 . . 4.740 3.976 3.617 4.113 . 0 0 "[ . 1 .]" 1
360 1 34 ALA MB 1 65 LEU MD1 . . 3.430 2.303 2.191 2.523 . 0 0 "[ . 1 .]" 1
361 1 34 ALA MB 1 69 LEU QD . . 3.200 2.342 2.219 2.399 . 0 0 "[ . 1 .]" 1
362 1 35 ILE H 1 35 ILE HB . . 3.580 2.541 2.516 2.587 . 0 0 "[ . 1 .]" 1
363 1 35 ILE H 1 35 ILE MD . . 3.780 2.075 1.989 2.181 . 0 0 "[ . 1 .]" 1
364 1 35 ILE H 1 35 ILE QG . . 3.970 3.022 2.959 3.096 . 0 0 "[ . 1 .]" 1
365 1 35 ILE H 1 37 MET H . . 4.490 4.390 4.323 4.516 0.026 15 0 "[ . 1 .]" 1
366 1 35 ILE H 1 37 MET QB . . 5.500 5.664 5.557 5.758 0.258 6 0 "[ . 1 .]" 1
367 1 35 ILE H 1 38 GLY H . . 5.450 5.473 5.383 5.624 0.174 6 0 "[ . 1 .]" 1
368 1 35 ILE H 1 39 PHE H . . 5.500 5.248 5.052 5.396 . 0 0 "[ . 1 .]" 1
369 1 35 ILE HA 1 35 ILE MD . . 3.720 3.434 3.387 3.486 . 0 0 "[ . 1 .]" 1
370 1 35 ILE HA 1 35 ILE QG . . 3.740 2.255 2.241 2.272 . 0 0 "[ . 1 .]" 1
371 1 35 ILE HA 1 35 ILE MG . . 3.210 2.518 2.488 2.537 . 0 0 "[ . 1 .]" 1
372 1 35 ILE HA 1 37 MET H . . 5.140 4.058 3.947 4.304 . 0 0 "[ . 1 .]" 1
373 1 35 ILE HA 1 38 GLY H . . 4.300 3.569 3.481 3.714 . 0 0 "[ . 1 .]" 1
374 1 35 ILE HA 1 39 PHE H . . 4.250 3.031 2.750 3.207 . 0 0 "[ . 1 .]" 1
375 1 35 ILE HA 1 39 PHE HB2 . . 5.500 2.600 2.334 2.766 . 0 0 "[ . 1 .]" 1
376 1 35 ILE HA 1 39 PHE HB3 . . 5.500 3.898 3.554 4.061 . 0 0 "[ . 1 .]" 1
377 1 35 ILE HA 1 41 PHE QD . . 5.500 5.725 5.615 5.789 0.289 6 0 "[ . 1 .]" 1
378 1 35 ILE HA 1 44 ILE MD . . 3.940 3.574 3.450 3.740 . 0 0 "[ . 1 .]" 1
379 1 35 ILE HB 1 35 ILE MD . . 3.150 2.210 2.179 2.226 . 0 0 "[ . 1 .]" 1
380 1 35 ILE HB 1 36 ARG H . . 3.910 2.818 2.777 2.907 . 0 0 "[ . 1 .]" 1
381 1 35 ILE HB 1 39 PHE H . . 5.500 5.926 5.579 6.107 0.607 13 4 "[ * -* 1 + .]" 1
382 1 35 ILE HB 1 39 PHE HB2 . . 5.440 5.411 5.166 5.551 0.111 3 0 "[ . 1 .]" 1
383 1 35 ILE HB 1 41 PHE QE . . 4.660 4.069 3.794 4.184 . 0 0 "[ . 1 .]" 1
384 1 35 ILE MD 1 35 ILE MG . . 3.470 3.009 2.969 3.049 . 0 0 "[ . 1 .]" 1
385 1 35 ILE MD 1 36 ARG H . . 4.560 4.101 4.026 4.196 . 0 0 "[ . 1 .]" 1
386 1 35 ILE MD 1 39 PHE HB3 . . 4.890 5.088 4.917 5.240 0.350 13 0 "[ . 1 .]" 1
387 1 35 ILE MD 1 41 PHE H . . 4.440 4.148 4.032 4.277 . 0 0 "[ . 1 .]" 1
388 1 35 ILE MD 1 41 PHE HA . . 3.210 2.139 2.092 2.174 . 0 0 "[ . 1 .]" 1
389 1 35 ILE MD 1 41 PHE QB . . 4.010 3.729 3.650 3.764 . 0 0 "[ . 1 .]" 1
390 1 35 ILE MD 1 41 PHE QD . . 3.080 2.746 2.687 2.791 . 0 0 "[ . 1 .]" 1
391 1 35 ILE MD 1 41 PHE QE . . 4.400 2.831 2.779 2.868 . 0 0 "[ . 1 .]" 1
392 1 35 ILE MD 1 41 PHE HZ . . 3.890 3.329 3.118 3.434 . 0 0 "[ . 1 .]" 1
393 1 35 ILE MD 1 43 ASP H . . 5.500 5.599 5.249 5.789 0.289 15 0 "[ . 1 .]" 1
394 1 35 ILE MD 1 44 ILE H . . 4.920 4.190 4.108 4.269 . 0 0 "[ . 1 .]" 1
395 1 35 ILE QG 1 41 PHE H . . 5.180 2.894 2.741 3.004 . 0 0 "[ . 1 .]" 1
396 1 35 ILE QG 1 41 PHE HA . . 4.720 2.387 2.216 2.491 . 0 0 "[ . 1 .]" 1
397 1 35 ILE QG 1 41 PHE QB . . 4.760 3.477 3.408 3.529 . 0 0 "[ . 1 .]" 1
398 1 35 ILE QG 1 41 PHE QD . . 4.610 2.898 2.786 2.951 . 0 0 "[ . 1 .]" 1
399 1 35 ILE MG 1 36 ARG H . . 3.950 3.374 3.306 3.440 . 0 0 "[ . 1 .]" 1
400 1 35 ILE MG 1 36 ARG HA . . 3.870 3.429 3.321 3.517 . 0 0 "[ . 1 .]" 1
401 1 35 ILE MG 1 39 PHE HB3 . . 5.500 5.302 4.983 5.470 . 0 0 "[ . 1 .]" 1
402 1 35 ILE MG 1 41 PHE QB . . 3.790 4.283 4.155 4.361 0.571 9 7 "[ ** -+1** *.]" 1
403 1 35 ILE MG 1 41 PHE QD . . 3.500 2.871 2.612 2.989 . 0 0 "[ . 1 .]" 1
404 1 36 ARG H 1 36 ARG QB . . 3.170 2.200 2.158 2.244 . 0 0 "[ . 1 .]" 1
405 1 36 ARG H 1 36 ARG QD . . 4.590 4.399 3.930 4.720 0.130 2 0 "[ . 1 .]" 1
406 1 36 ARG H 1 36 ARG QG . . 4.090 3.911 2.982 4.062 . 0 0 "[ . 1 .]" 1
407 1 36 ARG H 1 37 MET QB . . 4.800 5.143 5.076 5.171 0.371 1 0 "[ . 1 .]" 1
408 1 36 ARG HA 1 36 ARG QD . . 4.380 4.050 3.768 4.539 0.159 6 0 "[ . 1 .]" 1
409 1 36 ARG HA 1 36 ARG QG . . 3.250 2.462 2.285 3.308 0.058 6 0 "[ . 1 .]" 1
410 1 36 ARG QB 1 36 ARG QD . . 3.040 2.225 2.103 2.337 . 0 0 "[ . 1 .]" 1
411 1 36 ARG QB 1 37 MET H . . 3.730 3.070 2.831 3.750 0.020 6 0 "[ . 1 .]" 1
412 1 36 ARG QB 1 37 MET HG2 . . 5.000 4.183 3.840 4.869 . 0 0 "[ . 1 .]" 1
413 1 36 ARG QB 1 37 MET QG . . 4.330 3.729 3.471 4.411 0.081 6 0 "[ . 1 .]" 1
414 1 36 ARG QB 1 37 MET HG3 . . 5.000 4.190 3.958 5.043 0.043 6 0 "[ . 1 .]" 1
415 1 36 ARG QB 1 38 GLY H . . 4.890 4.754 4.688 4.946 0.056 6 0 "[ . 1 .]" 1
416 1 36 ARG QD 1 37 MET H . . 5.500 5.024 3.072 5.727 0.227 9 0 "[ . 1 .]" 1
417 1 36 ARG QG 1 37 MET H . . 4.970 3.990 2.779 4.289 . 0 0 "[ . 1 .]" 1
418 1 36 ARG QG 1 37 MET HA . . 4.090 4.131 3.508 4.444 0.354 1 0 "[ . 1 .]" 1
419 1 37 MET H 1 37 MET QB . . 3.430 2.545 2.504 2.562 . 0 0 "[ . 1 .]" 1
420 1 37 MET H 1 37 MET ME . . 4.520 4.347 4.302 4.416 . 0 0 "[ . 1 .]" 1
421 1 37 MET H 1 37 MET HG2 . . 3.910 3.131 3.042 3.216 . 0 0 "[ . 1 .]" 1
422 1 37 MET H 1 37 MET QG . . 3.430 2.521 2.459 2.586 . 0 0 "[ . 1 .]" 1
423 1 37 MET H 1 37 MET HG3 . . 3.910 2.659 2.568 2.737 . 0 0 "[ . 1 .]" 1
424 1 37 MET H 1 38 GLY QA . . 5.110 4.614 4.547 4.701 . 0 0 "[ . 1 .]" 1
425 1 37 MET H 1 39 PHE HE2 . . 5.500 5.699 5.559 5.830 0.330 15 0 "[ . 1 .]" 1
426 1 37 MET H 1 66 VAL MG1 . . 5.500 5.587 5.463 5.774 0.274 6 0 "[ . 1 .]" 1
427 1 37 MET HA 1 37 MET QG . . 3.480 2.377 2.312 2.414 . 0 0 "[ . 1 .]" 1
428 1 37 MET QB 1 38 GLY H . . 4.400 3.329 3.122 3.445 . 0 0 "[ . 1 .]" 1
429 1 37 MET QB 1 39 PHE HE2 . . 5.260 3.316 3.183 3.440 . 0 0 "[ . 1 .]" 1
430 1 37 MET QB 1 66 VAL MG2 . . 5.500 5.401 5.357 5.539 0.039 6 0 "[ . 1 .]" 1
431 1 37 MET ME 1 37 MET QG . . 3.160 2.599 2.568 2.638 . 0 0 "[ . 1 .]" 1
432 1 37 MET ME 1 39 PHE HD2 . . 3.920 3.303 3.207 3.436 . 0 0 "[ . 1 .]" 1
433 1 37 MET ME 1 39 PHE HE2 . . 3.250 2.262 2.173 2.353 . 0 0 "[ . 1 .]" 1
434 1 37 MET ME 1 66 VAL H . . 4.780 4.950 4.822 5.046 0.266 6 0 "[ . 1 .]" 1
435 1 37 MET ME 1 66 VAL MG1 . . 2.400 1.964 1.919 1.987 . 0 0 "[ . 1 .]" 1
436 1 37 MET ME 1 67 ALA H . . 5.500 5.796 5.652 5.977 0.477 6 0 "[ . 1 .]" 1
437 1 37 MET QG 1 66 VAL MG1 . . 4.720 3.808 3.710 4.016 . 0 0 "[ . 1 .]" 1
438 1 37 MET HG2 1 39 PHE HD2 . . 5.500 5.534 5.399 5.650 0.150 15 0 "[ . 1 .]" 1
439 1 37 MET HG3 1 39 PHE HD2 . . 5.500 4.245 4.090 4.400 . 0 0 "[ . 1 .]" 1
440 1 38 GLY H 1 39 PHE HA . . 5.050 5.019 4.918 5.046 . 0 0 "[ . 1 .]" 1
441 1 38 GLY H 1 39 PHE HB2 . . 4.660 4.303 4.148 4.357 . 0 0 "[ . 1 .]" 1
442 1 38 GLY H 1 39 PHE HB3 . . 5.500 5.762 5.628 5.793 0.293 6 0 "[ . 1 .]" 1
443 1 38 GLY QA 1 39 PHE HA . . 4.880 4.207 4.194 4.223 . 0 0 "[ . 1 .]" 1
444 1 39 PHE H 1 39 PHE HB2 . . 3.670 2.366 2.316 2.423 . 0 0 "[ . 1 .]" 1
445 1 39 PHE H 1 39 PHE HB3 . . 3.840 3.585 3.565 3.601 . 0 0 "[ . 1 .]" 1
446 1 39 PHE H 1 40 SER H . . 5.050 4.659 4.564 4.716 . 0 0 "[ . 1 .]" 1
447 1 39 PHE HA 1 39 PHE HD1 . . 3.780 2.669 2.583 2.769 . 0 0 "[ . 1 .]" 1
448 1 39 PHE HA 1 40 SER H . . 3.090 2.404 2.348 2.491 . 0 0 "[ . 1 .]" 1
449 1 39 PHE HA 1 69 LEU QD . . 5.480 4.683 4.630 4.784 . 0 0 "[ . 1 .]" 1
450 1 39 PHE HB2 1 40 SER H . . 4.020 3.697 3.510 3.886 . 0 0 "[ . 1 .]" 1
451 1 39 PHE HB2 1 44 ILE MD . . 3.520 2.222 2.158 2.295 . 0 0 "[ . 1 .]" 1
452 1 39 PHE HB2 1 44 ILE HG12 . . 4.800 4.149 3.828 4.350 . 0 0 "[ . 1 .]" 1
453 1 39 PHE HB2 1 44 ILE HG13 . . 4.700 4.031 3.717 4.223 . 0 0 "[ . 1 .]" 1
454 1 39 PHE HB2 1 69 LEU QD . . 4.300 3.534 3.435 3.608 . 0 0 "[ . 1 .]" 1
455 1 39 PHE HB3 1 40 SER H . . 3.790 2.411 2.136 2.683 . 0 0 "[ . 1 .]" 1
456 1 39 PHE HB3 1 44 ILE MD . . 3.460 2.153 2.114 2.222 . 0 0 "[ . 1 .]" 1
457 1 39 PHE HB3 1 44 ILE HG12 . . 4.500 3.817 3.531 4.083 . 0 0 "[ . 1 .]" 1
458 1 39 PHE HB3 1 44 ILE MG . . 5.090 5.195 5.115 5.274 0.184 13 0 "[ . 1 .]" 1
459 1 39 PHE HD1 1 40 SER H . . 3.950 3.421 3.164 3.647 . 0 0 "[ . 1 .]" 1
460 1 39 PHE HD1 1 69 LEU QB . . 5.380 3.578 3.429 3.760 . 0 0 "[ . 1 .]" 1
461 1 39 PHE HD1 1 69 LEU QD . . 4.720 3.192 3.026 3.266 . 0 0 "[ . 1 .]" 1
462 1 39 PHE HD1 1 70 VAL QG . . 5.020 4.669 4.487 4.770 . 0 0 "[ . 1 .]" 1
463 1 39 PHE HD2 1 66 VAL MG1 . . 4.600 3.725 3.678 3.826 . 0 0 "[ . 1 .]" 1
464 1 39 PHE HD2 1 69 LEU QD . . 4.420 3.209 3.066 3.391 . 0 0 "[ . 1 .]" 1
465 1 39 PHE HE1 1 40 SER H . . 5.370 5.898 5.637 6.120 0.750 13 7 "[ * ** * 1- +*.]" 1
466 1 39 PHE HE1 1 69 LEU HA . . 4.950 4.868 4.642 4.946 . 0 0 "[ . 1 .]" 1
467 1 39 PHE HE1 1 69 LEU QB . . 4.440 2.616 2.441 2.710 . 0 0 "[ . 1 .]" 1
468 1 39 PHE HE1 1 69 LEU QD . . 3.880 3.507 3.350 3.613 . 0 0 "[ . 1 .]" 1
469 1 39 PHE HE1 1 69 LEU HG . . 5.380 5.660 5.446 5.770 0.390 14 0 "[ . 1 .]" 1
470 1 39 PHE HE1 1 70 VAL H . . 4.400 3.898 3.651 4.047 . 0 0 "[ . 1 .]" 1
471 1 39 PHE HE1 1 70 VAL HA . . 4.090 3.302 3.224 3.398 . 0 0 "[ . 1 .]" 1
472 1 39 PHE HE1 1 70 VAL QG . . 3.090 2.631 2.466 2.748 . 0 0 "[ . 1 .]" 1
473 1 39 PHE HE2 1 66 VAL HA . . 4.960 3.553 3.332 3.834 . 0 0 "[ . 1 .]" 1
474 1 39 PHE HE2 1 66 VAL MG1 . . 4.030 2.593 2.503 2.711 . 0 0 "[ . 1 .]" 1
475 1 39 PHE HE2 1 69 LEU QD . . 4.620 3.260 3.144 3.426 . 0 0 "[ . 1 .]" 1
476 1 39 PHE HZ 1 66 VAL MG2 . . 4.930 4.606 4.405 4.801 . 0 0 "[ . 1 .]" 1
477 1 39 PHE HZ 1 70 VAL QG . . 5.500 2.085 1.996 2.146 . 0 0 "[ . 1 .]" 1
478 1 40 SER H 1 40 SER HB2 . . 3.490 2.488 2.441 2.610 . 0 0 "[ . 1 .]" 1
479 1 40 SER H 1 40 SER HB3 . . 3.840 3.652 3.616 3.698 . 0 0 "[ . 1 .]" 1
480 1 40 SER H 1 43 ASP H . . 4.710 4.245 4.094 4.367 . 0 0 "[ . 1 .]" 1
481 1 40 SER H 1 43 ASP HB2 . . 4.180 3.070 2.745 3.383 . 0 0 "[ . 1 .]" 1
482 1 40 SER H 1 43 ASP HB3 . . 4.500 4.495 4.127 4.679 0.179 12 0 "[ . 1 .]" 1
483 1 40 SER H 1 44 ILE H . . 5.400 4.762 4.373 5.122 . 0 0 "[ . 1 .]" 1
484 1 40 SER H 1 44 ILE MD . . 4.160 3.660 3.402 4.061 . 0 0 "[ . 1 .]" 1
485 1 40 SER H 1 44 ILE HG12 . . 5.180 4.610 4.150 5.040 . 0 0 "[ . 1 .]" 1
486 1 40 SER H 1 69 LEU QB . . 5.500 6.238 5.857 6.632 1.132 13 14 "[*** **-*****+**]" 1
487 1 40 SER H 1 69 LEU QD . . 4.950 4.502 4.211 4.884 . 0 0 "[ . 1 .]" 1
488 1 40 SER HA 1 41 PHE H . . 3.470 2.233 2.201 2.263 . 0 0 "[ . 1 .]" 1
489 1 40 SER HA 1 41 PHE QB . . 4.730 4.266 4.234 4.319 . 0 0 "[ . 1 .]" 1
490 1 40 SER HA 1 42 LYS H . . 4.350 4.323 4.211 4.436 0.086 13 0 "[ . 1 .]" 1
491 1 40 SER HA 1 43 ASP H . . 5.020 4.672 4.520 4.773 . 0 0 "[ . 1 .]" 1
492 1 40 SER HB2 1 42 LYS QG . . 5.340 4.491 2.616 5.811 0.471 8 0 "[ . 1 .]" 1
493 1 40 SER HB2 1 43 ASP H . . 4.350 2.713 2.460 2.977 . 0 0 "[ . 1 .]" 1
494 1 40 SER HB2 1 43 ASP HB2 . . 4.790 2.878 2.362 3.704 . 0 0 "[ . 1 .]" 1
495 1 40 SER HB2 1 43 ASP HB3 . . 4.480 4.395 3.988 4.712 0.232 13 0 "[ . 1 .]" 1
496 1 40 SER HB2 1 44 ILE H . . 5.500 4.534 4.233 4.906 . 0 0 "[ . 1 .]" 1
497 1 40 SER HB3 1 41 PHE H . . 5.320 3.093 2.850 3.275 . 0 0 "[ . 1 .]" 1
498 1 40 SER HB3 1 41 PHE QB . . 5.180 4.378 4.148 4.659 . 0 0 "[ . 1 .]" 1
499 1 40 SER HB3 1 42 LYS H . . 4.330 3.112 2.936 3.266 . 0 0 "[ . 1 .]" 1
500 1 40 SER HB3 1 42 LYS QB . . 4.640 3.680 3.003 4.491 . 0 0 "[ . 1 .]" 1
501 1 40 SER HB3 1 42 LYS QG . . 5.340 4.191 2.278 5.499 0.159 8 0 "[ . 1 .]" 1
502 1 40 SER HB3 1 43 ASP H . . 4.220 3.426 3.198 3.633 . 0 0 "[ . 1 .]" 1
503 1 40 SER HB3 1 43 ASP HB2 . . 5.260 4.438 4.022 5.154 . 0 0 "[ . 1 .]" 1
504 1 40 SER HB3 1 44 ILE H . . 5.500 5.370 5.181 5.721 0.221 13 0 "[ . 1 .]" 1
505 1 41 PHE H 1 41 PHE QD . . 4.410 2.985 2.879 3.065 . 0 0 "[ . 1 .]" 1
506 1 41 PHE H 1 42 LYS H . . 4.060 2.968 2.921 3.030 . 0 0 "[ . 1 .]" 1
507 1 41 PHE H 1 43 ASP H . . 5.240 4.413 4.288 4.553 . 0 0 "[ . 1 .]" 1
508 1 41 PHE HA 1 41 PHE QD . . 3.660 2.798 2.762 2.854 . 0 0 "[ . 1 .]" 1
509 1 41 PHE HA 1 44 ILE H . . 4.540 3.540 3.468 3.733 . 0 0 "[ . 1 .]" 1
510 1 41 PHE HA 1 44 ILE HA . . 5.480 5.713 5.611 5.994 0.514 13 1 "[ . 1 + .]" 1
511 1 41 PHE HA 1 44 ILE HB . . 4.240 3.468 3.224 3.813 . 0 0 "[ . 1 .]" 1
512 1 41 PHE HA 1 44 ILE MD . . 4.710 4.302 4.170 4.464 . 0 0 "[ . 1 .]" 1
513 1 41 PHE HA 1 44 ILE HG13 . . 4.950 3.817 3.678 3.942 . 0 0 "[ . 1 .]" 1
514 1 41 PHE HA 1 44 ILE MG . . 4.390 4.781 4.576 5.011 0.621 13 2 "[ - . 1 + .]" 1
515 1 41 PHE HA 1 45 LYS H . . 4.330 4.050 3.917 4.279 . 0 0 "[ . 1 .]" 1
516 1 41 PHE QB 1 42 LYS H . . 3.890 2.600 2.509 2.687 . 0 0 "[ . 1 .]" 1
517 1 41 PHE QB 1 42 LYS QB . . 5.340 3.936 3.858 4.059 . 0 0 "[ . 1 .]" 1
518 1 41 PHE QB 1 44 ILE HG12 . . 5.500 4.839 4.729 4.973 . 0 0 "[ . 1 .]" 1
519 1 41 PHE QD 1 44 ILE HB . . 4.820 4.345 4.229 4.599 . 0 0 "[ . 1 .]" 1
520 1 42 LYS H 1 42 LYS HB2 . . 3.840 2.942 2.433 3.630 . 0 0 "[ . 1 .]" 1
521 1 42 LYS H 1 42 LYS HB3 . . 3.840 2.472 2.395 2.616 . 0 0 "[ . 1 .]" 1
522 1 42 LYS H 1 42 LYS HG2 . . 4.630 4.058 3.273 4.599 . 0 0 "[ . 1 .]" 1
523 1 42 LYS H 1 42 LYS HG3 . . 4.630 3.688 2.017 4.655 0.025 4 0 "[ . 1 .]" 1
524 1 42 LYS H 1 43 ASP H . . 3.650 2.912 2.850 2.966 . 0 0 "[ . 1 .]" 1
525 1 42 LYS H 1 44 ILE H . . 4.500 4.416 4.346 4.543 0.043 13 0 "[ . 1 .]" 1
526 1 42 LYS HA 1 42 LYS QD . . 3.930 3.648 2.295 3.956 0.026 12 0 "[ . 1 .]" 1
527 1 42 LYS HA 1 45 LYS QD . . 3.580 2.702 2.337 3.336 . 0 0 "[ . 1 .]" 1
528 1 42 LYS HA 1 45 LYS QE . . 4.470 4.040 3.060 4.492 0.022 8 0 "[ . 1 .]" 1
529 1 42 LYS HA 1 45 LYS QG . . 3.990 2.185 2.105 2.308 . 0 0 "[ . 1 .]" 1
530 1 42 LYS HA 1 46 LYS H . . 4.310 3.954 3.819 4.085 . 0 0 "[ . 1 .]" 1
531 1 42 LYS QB 1 43 ASP H . . 3.980 3.109 2.533 3.894 . 0 0 "[ . 1 .]" 1
532 1 42 LYS QD 1 43 ASP HA . . 4.570 3.071 2.594 4.643 0.073 15 0 "[ . 1 .]" 1
533 1 42 LYS QD 1 46 LYS H . . 4.990 4.801 4.092 5.520 0.530 12 1 "[ . 1 + .]" 1
534 1 42 LYS QE 1 43 ASP H . . 5.500 4.584 3.279 5.471 . 0 0 "[ . 1 .]" 1
535 1 42 LYS QE 1 46 LYS QB . . 4.760 4.832 4.390 5.589 0.829 14 1 "[ . 1 +.]" 1
536 1 42 LYS QG 1 43 ASP H . . 4.560 3.552 2.404 4.311 . 0 0 "[ . 1 .]" 1
537 1 42 LYS QG 1 43 ASP HA . . 4.980 4.463 3.545 4.973 . 0 0 "[ . 1 .]" 1
538 1 42 LYS HG2 1 43 ASP H . . 5.270 4.429 4.102 4.820 . 0 0 "[ . 1 .]" 1
539 1 42 LYS HG3 1 43 ASP H . . 5.270 4.025 2.421 5.206 . 0 0 "[ . 1 .]" 1
540 1 43 ASP H 1 43 ASP HB2 . . 3.490 2.437 2.333 2.669 . 0 0 "[ . 1 .]" 1
541 1 43 ASP H 1 43 ASP HB3 . . 3.970 3.633 3.584 3.710 . 0 0 "[ . 1 .]" 1
542 1 43 ASP H 1 44 ILE H . . 3.630 2.585 2.251 2.782 . 0 0 "[ . 1 .]" 1
543 1 43 ASP H 1 44 ILE HA . . 5.370 5.226 4.947 5.403 0.033 15 0 "[ . 1 .]" 1
544 1 43 ASP H 1 44 ILE MD . . 4.800 4.183 3.972 4.401 . 0 0 "[ . 1 .]" 1
545 1 43 ASP H 1 44 ILE HG12 . . 4.670 4.194 3.877 4.470 . 0 0 "[ . 1 .]" 1
546 1 43 ASP H 1 44 ILE HG13 . . 5.500 5.915 5.596 6.186 0.686 15 6 "[* -. ** * +]" 1
547 1 43 ASP H 1 45 LYS QD . . 5.080 5.313 5.159 5.491 0.411 12 0 "[ . 1 .]" 1
548 1 43 ASP H 1 46 LYS H . . 4.930 4.726 4.513 4.860 . 0 0 "[ . 1 .]" 1
549 1 43 ASP H 1 69 LEU QD . . 5.070 4.906 4.793 5.044 . 0 0 "[ . 1 .]" 1
550 1 43 ASP HA 1 45 LYS QD . . 4.940 5.040 4.840 5.224 0.284 10 0 "[ . 1 .]" 1
551 1 43 ASP HA 1 46 LYS H . . 4.040 3.640 3.410 3.905 . 0 0 "[ . 1 .]" 1
552 1 43 ASP HA 1 46 LYS HA . . 5.500 5.409 5.231 5.708 0.208 13 0 "[ . 1 .]" 1
553 1 43 ASP HA 1 46 LYS QB . . 4.040 2.467 2.309 2.724 . 0 0 "[ . 1 .]" 1
554 1 43 ASP HA 1 46 LYS QG . . 5.320 3.992 3.476 4.335 . 0 0 "[ . 1 .]" 1
555 1 43 ASP HA 1 47 ILE H . . 4.560 3.816 3.613 4.064 . 0 0 "[ . 1 .]" 1
556 1 43 ASP HA 1 69 LEU QD . . 4.300 4.176 4.044 4.327 0.027 12 0 "[ . 1 .]" 1
557 1 43 ASP HB2 1 44 ILE H . . 3.790 2.805 2.553 3.010 . 0 0 "[ . 1 .]" 1
558 1 43 ASP HB2 1 44 ILE HA . . 4.960 4.534 4.111 4.795 . 0 0 "[ . 1 .]" 1
559 1 43 ASP HB2 1 44 ILE HB . . 5.500 5.571 5.200 5.828 0.328 2 0 "[ . 1 .]" 1
560 1 43 ASP HB2 1 46 LYS H . . 5.500 5.747 5.613 5.867 0.367 8 0 "[ . 1 .]" 1
561 1 43 ASP HB2 1 69 LEU QD . . 3.670 3.326 3.014 3.505 . 0 0 "[ . 1 .]" 1
562 1 43 ASP HB3 1 44 ILE HA . . 5.060 4.312 4.130 4.504 . 0 0 "[ . 1 .]" 1
563 1 43 ASP HB3 1 44 ILE MD . . 3.770 3.344 3.075 3.643 . 0 0 "[ . 1 .]" 1
564 1 43 ASP HB3 1 46 LYS QG . . 5.340 5.638 5.083 6.035 0.695 7 4 "[ * . + 1 -*]" 1
565 1 43 ASP HB3 1 47 ILE HB . . 5.500 4.489 4.356 4.794 . 0 0 "[ . 1 .]" 1
566 1 43 ASP HB3 1 47 ILE MG . . 4.280 4.567 4.437 4.718 0.438 13 0 "[ . 1 .]" 1
567 1 43 ASP HB3 1 69 LEU HA . . 4.980 5.032 4.806 5.263 0.283 12 0 "[ . 1 .]" 1
568 1 43 ASP HB3 1 69 LEU QD . . 3.340 2.641 2.459 2.867 . 0 0 "[ . 1 .]" 1
569 1 44 ILE H 1 44 ILE HB . . 3.470 2.916 2.852 2.975 . 0 0 "[ . 1 .]" 1
570 1 44 ILE H 1 44 ILE MD . . 3.610 2.536 2.470 2.604 . 0 0 "[ . 1 .]" 1
571 1 44 ILE H 1 44 ILE HG12 . . 3.670 2.222 2.118 2.276 . 0 0 "[ . 1 .]" 1
572 1 44 ILE H 1 44 ILE HG13 . . 4.490 3.712 3.633 3.757 . 0 0 "[ . 1 .]" 1
573 1 44 ILE H 1 45 LYS H . . 3.980 2.811 2.757 2.847 . 0 0 "[ . 1 .]" 1
574 1 44 ILE H 1 46 LYS H . . 4.970 4.114 4.068 4.170 . 0 0 "[ . 1 .]" 1
575 1 44 ILE H 1 47 ILE MG . . 4.370 4.554 4.390 4.674 0.304 6 0 "[ . 1 .]" 1
576 1 44 ILE HA 1 44 ILE MD . . 3.720 2.435 2.249 2.540 . 0 0 "[ . 1 .]" 1
577 1 44 ILE HA 1 44 ILE HG13 . . 4.190 3.843 3.797 3.885 . 0 0 "[ . 1 .]" 1
578 1 44 ILE HA 1 44 ILE MG . . 3.110 2.170 2.112 2.229 . 0 0 "[ . 1 .]" 1
579 1 44 ILE HA 1 46 LYS H . . 4.840 4.448 4.384 4.512 . 0 0 "[ . 1 .]" 1
580 1 44 ILE HA 1 47 ILE H . . 4.820 3.519 3.418 3.653 . 0 0 "[ . 1 .]" 1
581 1 44 ILE HA 1 47 ILE HB . . 4.610 3.990 3.921 4.084 . 0 0 "[ . 1 .]" 1
582 1 44 ILE HA 1 47 ILE QG . . 5.180 5.433 5.340 5.522 0.342 15 0 "[ . 1 .]" 1
583 1 44 ILE HA 1 47 ILE MG . . 3.450 2.202 2.071 2.298 . 0 0 "[ . 1 .]" 1
584 1 44 ILE HA 1 48 MET H . . 4.620 3.903 3.834 3.999 . 0 0 "[ . 1 .]" 1
585 1 44 ILE HA 1 48 MET ME . . 5.500 5.031 4.756 5.263 . 0 0 "[ . 1 .]" 1
586 1 44 ILE HA 1 65 LEU MD2 . . 4.770 3.721 3.628 3.801 . 0 0 "[ . 1 .]" 1
587 1 44 ILE HA 1 69 LEU QD . . 3.240 2.339 2.202 2.421 . 0 0 "[ . 1 .]" 1
588 1 44 ILE HA 1 69 LEU HG . . 4.330 4.499 4.374 4.580 0.250 9 0 "[ . 1 .]" 1
589 1 44 ILE HB 1 45 LYS H . . 3.780 2.536 2.431 2.606 . 0 0 "[ . 1 .]" 1
590 1 44 ILE HB 1 45 LYS HB3 . . 4.790 4.239 3.977 4.379 . 0 0 "[ . 1 .]" 1
591 1 44 ILE HB 1 46 LYS H . . 5.150 5.045 4.925 5.103 . 0 0 "[ . 1 .]" 1
592 1 44 ILE HB 1 69 LEU QD . . 4.610 4.380 4.283 4.437 . 0 0 "[ . 1 .]" 1
593 1 44 ILE MD 1 45 LYS H . . 4.620 4.502 4.468 4.534 . 0 0 "[ . 1 .]" 1
594 1 44 ILE MD 1 46 LYS H . . 5.500 5.644 5.558 5.730 0.230 8 0 "[ . 1 .]" 1
595 1 44 ILE MD 1 69 LEU HA . . 5.500 5.143 5.020 5.241 . 0 0 "[ . 1 .]" 1
596 1 44 ILE MD 1 69 LEU QD . . 3.870 1.802 1.731 1.847 . 0 0 "[ . 1 .]" 1
597 1 44 ILE MD 1 69 LEU HG . . 4.050 3.795 3.697 3.889 . 0 0 "[ . 1 .]" 1
598 1 44 ILE HG12 1 69 LEU QD . . 4.690 3.916 3.780 3.979 . 0 0 "[ . 1 .]" 1
599 1 44 ILE HG13 1 69 LEU QD . . 4.420 3.773 3.684 3.835 . 0 0 "[ . 1 .]" 1
600 1 44 ILE MG 1 47 ILE H . . 5.140 4.784 4.697 4.898 . 0 0 "[ . 1 .]" 1
601 1 44 ILE MG 1 48 MET H . . 4.320 3.969 3.911 4.051 . 0 0 "[ . 1 .]" 1
602 1 44 ILE MG 1 48 MET HB2 . . 4.360 4.039 3.947 4.189 . 0 0 "[ . 1 .]" 1
603 1 44 ILE MG 1 48 MET ME . . 3.700 2.912 2.445 3.094 . 0 0 "[ . 1 .]" 1
604 1 44 ILE MG 1 48 MET QG . . 4.180 2.471 2.261 2.696 . 0 0 "[ . 1 .]" 1
605 1 44 ILE MG 1 59 TYR HE2 . . 5.490 5.391 5.154 5.559 0.069 1 0 "[ . 1 .]" 1
606 1 44 ILE MG 1 65 LEU MD1 . . 3.000 2.760 2.605 2.873 . 0 0 "[ . 1 .]" 1
607 1 44 ILE MG 1 65 LEU MD2 . . 3.570 2.572 2.457 2.651 . 0 0 "[ . 1 .]" 1
608 1 44 ILE MG 1 69 LEU QD . . 3.220 2.642 2.545 2.788 . 0 0 "[ . 1 .]" 1
609 1 45 LYS H 1 45 LYS HB2 . . 3.760 3.692 3.654 3.726 . 0 0 "[ . 1 .]" 1
610 1 45 LYS H 1 45 LYS HB3 . . 3.470 2.625 2.510 2.685 . 0 0 "[ . 1 .]" 1
611 1 45 LYS H 1 45 LYS QD . . 4.830 3.871 3.664 4.019 . 0 0 "[ . 1 .]" 1
612 1 45 LYS H 1 45 LYS HG2 . . 4.750 3.451 3.315 3.783 . 0 0 "[ . 1 .]" 1
613 1 45 LYS H 1 45 LYS HG3 . . 4.750 2.257 2.117 2.460 . 0 0 "[ . 1 .]" 1
614 1 45 LYS H 1 46 LYS H . . 3.740 2.790 2.719 2.822 . 0 0 "[ . 1 .]" 1
615 1 45 LYS H 1 46 LYS QB . . 4.570 4.510 4.397 4.586 0.016 2 0 "[ . 1 .]" 1
616 1 45 LYS H 1 47 ILE H . . 5.100 4.507 4.418 4.557 . 0 0 "[ . 1 .]" 1
617 1 45 LYS HA 1 45 LYS QD . . 4.910 3.908 3.548 4.097 . 0 0 "[ . 1 .]" 1
618 1 45 LYS HA 1 48 MET HA . . 5.500 5.505 5.235 5.830 0.330 14 0 "[ . 1 .]" 1
619 1 45 LYS HA 1 48 MET HB2 . . 4.210 2.604 2.279 2.958 . 0 0 "[ . 1 .]" 1
620 1 45 LYS HA 1 48 MET QG . . 4.820 3.575 3.135 4.136 . 0 0 "[ . 1 .]" 1
621 1 45 LYS HB2 1 45 LYS QE . . 4.710 2.469 2.026 3.532 . 0 0 "[ . 1 .]" 1
622 1 45 LYS HB2 1 46 LYS H . . 3.900 3.897 3.812 4.083 0.183 15 0 "[ . 1 .]" 1
623 1 45 LYS HB2 1 46 LYS HA . . 5.500 4.809 4.735 4.994 . 0 0 "[ . 1 .]" 1
624 1 45 LYS HB2 1 48 MET HB2 . . 5.500 4.626 4.217 5.011 . 0 0 "[ . 1 .]" 1
625 1 45 LYS HB2 1 49 GLU QG . . 5.500 4.932 4.798 5.057 . 0 0 "[ . 1 .]" 1
626 1 45 LYS HB3 1 46 LYS H . . 4.510 4.071 3.910 4.156 . 0 0 "[ . 1 .]" 1
627 1 45 LYS HB3 1 48 MET HB2 . . 5.390 4.955 4.676 5.410 0.020 14 0 "[ . 1 .]" 1
628 1 45 LYS HB3 1 48 MET QG . . 5.500 5.457 4.982 6.185 0.685 14 4 "[ *- * 1 +.]" 1
629 1 45 LYS QD 1 46 LYS H . . 3.920 2.534 2.320 2.686 . 0 0 "[ . 1 .]" 1
630 1 45 LYS QD 1 46 LYS HA . . 3.460 2.911 2.765 3.096 . 0 0 "[ . 1 .]" 1
631 1 45 LYS QD 1 48 MET H . . 5.500 5.651 5.253 5.843 0.343 10 0 "[ . 1 .]" 1
632 1 45 LYS QD 1 49 GLU QG . . 4.920 3.950 3.553 4.226 . 0 0 "[ . 1 .]" 1
633 1 45 LYS QE 1 45 LYS QG . . 3.230 2.373 2.212 2.729 . 0 0 "[ . 1 .]" 1
634 1 45 LYS QE 1 46 LYS QB . . 4.680 4.644 4.171 4.897 0.217 13 0 "[ . 1 .]" 1
635 1 45 LYS HE2 1 46 LYS H . . 5.500 4.920 4.545 5.240 . 0 0 "[ . 1 .]" 1
636 1 45 LYS HE3 1 46 LYS H . . 5.500 5.180 4.677 5.401 . 0 0 "[ . 1 .]" 1
637 1 45 LYS QG 1 46 LYS H . . 3.930 2.476 2.117 2.878 . 0 0 "[ . 1 .]" 1
638 1 45 LYS HG2 1 46 LYS H . . 4.520 4.058 3.777 4.320 . 0 0 "[ . 1 .]" 1
639 1 45 LYS HG3 1 46 LYS H . . 4.520 2.499 2.129 2.922 . 0 0 "[ . 1 .]" 1
640 1 46 LYS H 1 46 LYS QB . . 3.020 2.249 2.180 2.292 . 0 0 "[ . 1 .]" 1
641 1 46 LYS H 1 46 LYS QD . . 5.500 4.451 4.274 4.863 . 0 0 "[ . 1 .]" 1
642 1 46 LYS H 1 46 LYS HG2 . . 4.820 4.550 4.409 4.653 . 0 0 "[ . 1 .]" 1
643 1 46 LYS H 1 46 LYS HG3 . . 4.820 4.486 4.415 4.552 . 0 0 "[ . 1 .]" 1
644 1 46 LYS H 1 47 ILE H . . 3.780 2.890 2.834 2.953 . 0 0 "[ . 1 .]" 1
645 1 46 LYS H 1 47 ILE MG . . 3.880 4.576 4.463 4.708 0.828 6 15 [**-**+*********] 1
646 1 46 LYS H 1 49 GLU QG . . 5.500 4.460 4.369 4.561 . 0 0 "[ . 1 .]" 1
647 1 46 LYS HA 1 46 LYS QG . . 3.530 2.778 2.315 3.165 . 0 0 "[ . 1 .]" 1
648 1 46 LYS HA 1 49 GLU H . . 4.230 3.786 3.674 3.899 . 0 0 "[ . 1 .]" 1
649 1 46 LYS HA 1 49 GLU QG . . 4.680 2.206 2.118 2.314 . 0 0 "[ . 1 .]" 1
650 1 46 LYS QB 1 47 ILE H . . 3.290 2.555 2.477 2.773 . 0 0 "[ . 1 .]" 1
651 1 46 LYS QB 1 48 MET H . . 4.860 4.820 4.772 4.932 0.072 6 0 "[ . 1 .]" 1
652 1 46 LYS QE 1 47 ILE HB . . 5.170 5.363 4.512 5.893 0.723 1 3 "[+ . * - .]" 1
653 1 46 LYS QG 1 47 ILE H . . 4.140 3.408 3.212 3.591 . 0 0 "[ . 1 .]" 1
654 1 46 LYS QG 1 47 ILE HB . . 4.220 4.225 3.933 4.454 0.234 15 0 "[ . 1 .]" 1
655 1 46 LYS QG 1 48 MET H . . 5.340 5.366 5.230 5.554 0.214 9 0 "[ . 1 .]" 1
656 1 46 LYS QG 1 49 GLU QG . . 5.340 3.929 3.427 4.451 . 0 0 "[ . 1 .]" 1
657 1 47 ILE H 1 47 ILE HB . . 3.490 2.398 2.368 2.443 . 0 0 "[ . 1 .]" 1
658 1 47 ILE H 1 47 ILE MD . . 4.480 4.390 4.344 4.455 . 0 0 "[ . 1 .]" 1
659 1 47 ILE H 1 47 ILE QG . . 4.010 3.936 3.913 3.973 . 0 0 "[ . 1 .]" 1
660 1 47 ILE H 1 47 ILE MG . . 3.430 2.568 2.485 2.617 . 0 0 "[ . 1 .]" 1
661 1 47 ILE H 1 48 MET H . . 3.750 2.760 2.628 2.825 . 0 0 "[ . 1 .]" 1
662 1 47 ILE H 1 48 MET HB2 . . 5.090 4.828 4.528 5.057 . 0 0 "[ . 1 .]" 1
663 1 47 ILE H 1 49 GLU H . . 5.480 4.580 4.492 4.632 . 0 0 "[ . 1 .]" 1
664 1 47 ILE H 1 69 LEU QD . . 4.970 3.903 3.841 3.983 . 0 0 "[ . 1 .]" 1
665 1 47 ILE HA 1 47 ILE MD . . 3.820 3.652 3.629 3.679 . 0 0 "[ . 1 .]" 1
666 1 47 ILE HA 1 47 ILE QG . . 3.260 2.112 2.081 2.137 . 0 0 "[ . 1 .]" 1
667 1 47 ILE HA 1 47 ILE MG . . 3.320 3.247 3.236 3.258 . 0 0 "[ . 1 .]" 1
668 1 47 ILE HA 1 49 GLU QG . . 5.080 4.678 4.352 4.858 . 0 0 "[ . 1 .]" 1
669 1 47 ILE HA 1 50 GLU H . . 4.390 3.602 3.538 3.686 . 0 0 "[ . 1 .]" 1
670 1 47 ILE HA 1 50 GLU QG . . 4.620 4.500 3.921 4.656 0.036 1 0 "[ . 1 .]" 1
671 1 47 ILE HA 1 65 LEU MD2 . . 5.500 5.651 5.501 5.812 0.312 3 0 "[ . 1 .]" 1
672 1 47 ILE HA 1 69 LEU QD . . 5.220 4.858 4.799 4.916 . 0 0 "[ . 1 .]" 1
673 1 47 ILE HB 1 47 ILE MD . . 2.990 2.346 2.255 2.439 . 0 0 "[ . 1 .]" 1
674 1 47 ILE HB 1 59 TYR HE2 . . 5.060 5.027 4.787 5.393 0.333 8 0 "[ . 1 .]" 1
675 1 47 ILE HB 1 69 LEU QD . . 3.500 2.783 2.720 2.859 . 0 0 "[ . 1 .]" 1
676 1 47 ILE HB 1 72 ALA MB . . 4.540 3.947 3.758 4.078 . 0 0 "[ . 1 .]" 1
677 1 47 ILE MD 1 48 MET H . . 5.060 5.021 4.924 5.099 0.039 13 0 "[ . 1 .]" 1
678 1 47 ILE MD 1 59 TYR HE2 . . 4.850 3.777 3.493 4.169 . 0 0 "[ . 1 .]" 1
679 1 47 ILE MD 1 65 LEU HA . . 3.870 4.211 3.882 4.420 0.550 3 2 "[ + .- 1 .]" 1
680 1 47 ILE MD 1 65 LEU MD2 . . 3.580 3.137 2.973 3.399 . 0 0 "[ . 1 .]" 1
681 1 47 ILE MD 1 67 ALA H . . 5.500 6.150 5.947 6.242 0.742 14 14 "[*** **-******+*]" 1
682 1 47 ILE MD 1 68 ASP HB2 . . 3.480 2.884 2.573 2.970 . 0 0 "[ . 1 .]" 1
683 1 47 ILE MD 1 68 ASP HB3 . . 3.110 2.123 2.033 2.250 . 0 0 "[ . 1 .]" 1
684 1 47 ILE MD 1 69 LEU HA . . 3.350 2.143 2.097 2.218 . 0 0 "[ . 1 .]" 1
685 1 47 ILE MD 1 69 LEU QD . . 3.750 2.430 2.368 2.542 . 0 0 "[ . 1 .]" 1
686 1 47 ILE MD 1 69 LEU HG . . 3.230 2.549 2.406 2.644 . 0 0 "[ . 1 .]" 1
687 1 47 ILE MD 1 72 ALA HA . . 5.270 4.686 4.464 4.882 . 0 0 "[ . 1 .]" 1
688 1 47 ILE MD 1 72 ALA MB . . 3.140 2.299 2.146 2.440 . 0 0 "[ . 1 .]" 1
689 1 47 ILE QG 1 47 ILE MG . . 3.040 2.386 2.367 2.424 . 0 0 "[ . 1 .]" 1
690 1 47 ILE QG 1 48 MET H . . 4.750 4.188 4.075 4.224 . 0 0 "[ . 1 .]" 1
691 1 47 ILE QG 1 48 MET HA . . 4.380 4.488 4.301 4.644 0.264 9 0 "[ . 1 .]" 1
692 1 47 ILE QG 1 48 MET QG . . 4.900 4.882 4.657 5.121 0.221 11 0 "[ . 1 .]" 1
693 1 47 ILE QG 1 51 LYS QG . . 5.500 4.764 4.602 4.861 . 0 0 "[ . 1 .]" 1
694 1 47 ILE QG 1 59 TYR HD2 . . 4.950 5.172 4.858 5.674 0.724 8 3 "[ .* + 1 -]" 1
695 1 47 ILE QG 1 59 TYR HE2 . . 4.270 2.837 2.530 3.360 . 0 0 "[ . 1 .]" 1
696 1 47 ILE QG 1 65 LEU MD2 . . 4.080 3.954 3.691 4.089 0.009 8 0 "[ . 1 .]" 1
697 1 47 ILE QG 1 68 ASP HB3 . . 4.780 3.471 3.313 3.703 . 0 0 "[ . 1 .]" 1
698 1 47 ILE QG 1 69 LEU HA . . 5.040 4.353 4.286 4.440 . 0 0 "[ . 1 .]" 1
699 1 47 ILE QG 1 69 LEU QD . . 4.590 3.864 3.834 3.913 . 0 0 "[ . 1 .]" 1
700 1 47 ILE MG 1 48 MET H . . 3.380 2.375 2.312 2.485 . 0 0 "[ . 1 .]" 1
701 1 47 ILE MG 1 48 MET HB2 . . 3.750 4.086 3.997 4.243 0.493 13 0 "[ . 1 .]" 1
702 1 47 ILE MG 1 48 MET QG . . 3.600 2.761 2.683 2.850 . 0 0 "[ . 1 .]" 1
703 1 47 ILE MG 1 49 GLU QG . . 5.420 5.639 5.450 5.728 0.308 12 0 "[ . 1 .]" 1
704 1 47 ILE MG 1 59 TYR HD2 . . 4.840 3.842 3.496 4.259 . 0 0 "[ . 1 .]" 1
705 1 47 ILE MG 1 59 TYR HE2 . . 3.430 2.395 2.227 2.614 . 0 0 "[ . 1 .]" 1
706 1 47 ILE MG 1 65 LEU MD2 . . 3.090 2.265 2.189 2.405 . 0 0 "[ . 1 .]" 1
707 1 47 ILE MG 1 68 ASP HB2 . . 4.860 4.492 4.384 4.623 . 0 0 "[ . 1 .]" 1
708 1 47 ILE MG 1 68 ASP HB3 . . 5.320 4.502 4.334 4.658 . 0 0 "[ . 1 .]" 1
709 1 47 ILE MG 1 69 LEU HA . . 4.530 3.677 3.546 3.779 . 0 0 "[ . 1 .]" 1
710 1 47 ILE MG 1 69 LEU QD . . 2.940 2.092 2.036 2.110 . 0 0 "[ . 1 .]" 1
711 1 47 ILE MG 1 72 ALA MB . . 4.720 4.484 4.358 4.587 . 0 0 "[ . 1 .]" 1
712 1 48 MET H 1 48 MET QG . . 4.040 2.569 2.496 2.662 . 0 0 "[ . 1 .]" 1
713 1 48 MET H 1 65 LEU MD2 . . 4.530 4.438 4.203 4.578 0.048 3 0 "[ . 1 .]" 1
714 1 48 MET HA 1 48 MET ME . . 3.650 3.914 3.586 4.190 0.540 3 2 "[ + . 1 - .]" 1
715 1 48 MET HA 1 48 MET QG . . 3.790 2.346 2.149 2.649 . 0 0 "[ . 1 .]" 1
716 1 48 MET HA 1 49 GLU HA . . 5.500 4.741 4.712 4.810 . 0 0 "[ . 1 .]" 1
717 1 48 MET HA 1 51 LYS HB3 . . 4.160 2.676 2.372 2.953 . 0 0 "[ . 1 .]" 1
718 1 48 MET HA 1 51 LYS QG . . 4.460 4.007 3.748 4.268 . 0 0 "[ . 1 .]" 1
719 1 48 MET HA 1 52 ILE QG . . 5.340 3.762 3.604 3.934 . 0 0 "[ . 1 .]" 1
720 1 48 MET HA 1 59 TYR H . . 5.190 4.808 4.359 5.131 . 0 0 "[ . 1 .]" 1
721 1 48 MET HA 1 59 TYR HD2 . . 4.030 3.380 3.229 3.750 . 0 0 "[ . 1 .]" 1
722 1 48 MET HA 1 59 TYR HE2 . . 3.770 2.903 2.548 3.321 . 0 0 "[ . 1 .]" 1
723 1 48 MET HB2 1 49 GLU H . . 4.480 2.577 2.442 2.742 . 0 0 "[ . 1 .]" 1
724 1 48 MET HB2 1 50 GLU H . . 5.500 5.102 5.003 5.199 . 0 0 "[ . 1 .]" 1
725 1 48 MET HB2 1 52 ILE MD . . 4.210 4.243 4.087 4.412 0.202 9 0 "[ . 1 .]" 1
726 1 48 MET ME 1 48 MET QG . . 3.120 2.177 2.122 2.233 . 0 0 "[ . 1 .]" 1
727 1 48 MET ME 1 51 LYS QG . . 4.830 5.060 4.870 5.256 0.426 13 0 "[ . 1 .]" 1
728 1 48 MET ME 1 58 ASN HA . . 4.470 4.995 4.428 5.478 1.008 13 8 "[ .*****- + *]" 1
729 1 48 MET ME 1 58 ASN QD . . 3.350 3.036 2.489 3.616 0.266 6 0 "[ . 1 .]" 1
730 1 48 MET ME 1 59 TYR H . . 4.100 3.431 2.994 3.967 . 0 0 "[ . 1 .]" 1
731 1 48 MET ME 1 59 TYR HB2 . . 2.970 2.643 2.353 3.056 0.086 13 0 "[ . 1 .]" 1
732 1 48 MET ME 1 59 TYR HB3 . . 4.170 3.977 3.772 4.425 0.255 13 0 "[ . 1 .]" 1
733 1 48 MET ME 1 59 TYR HD2 . . 3.680 2.394 2.177 2.572 . 0 0 "[ . 1 .]" 1
734 1 48 MET ME 1 59 TYR HE2 . . 4.000 4.000 3.719 4.363 0.363 7 0 "[ . 1 .]" 1
735 1 48 MET ME 1 65 LEU MD1 . . 2.850 2.054 1.954 2.127 . 0 0 "[ . 1 .]" 1
736 1 48 MET ME 1 65 LEU MD2 . . 3.040 2.515 2.368 2.667 . 0 0 "[ . 1 .]" 1
737 1 48 MET ME 1 65 LEU HG . . 2.580 2.422 2.285 2.707 0.127 13 0 "[ . 1 .]" 1
738 1 48 MET QG 1 49 GLU H . . 5.240 4.227 4.153 4.302 . 0 0 "[ . 1 .]" 1
739 1 48 MET QG 1 58 ASN QD . . 5.080 3.815 2.495 4.569 . 0 0 "[ . 1 .]" 1
740 1 48 MET QG 1 59 TYR HD2 . . 4.470 2.950 2.078 3.673 . 0 0 "[ . 1 .]" 1
741 1 48 MET QG 1 59 TYR HE2 . . 4.980 3.409 2.837 4.020 . 0 0 "[ . 1 .]" 1
742 1 48 MET QG 1 65 LEU MD2 . . 4.520 2.988 2.667 3.251 . 0 0 "[ . 1 .]" 1
743 1 48 MET QG 1 65 LEU HG . . 4.410 4.112 3.749 4.485 0.075 11 0 "[ . 1 .]" 1
744 1 49 GLU H 1 49 GLU QB . . 3.340 2.462 2.410 2.524 . 0 0 "[ . 1 .]" 1
745 1 49 GLU H 1 49 GLU QG . . 3.710 2.400 2.243 2.500 . 0 0 "[ . 1 .]" 1
746 1 49 GLU H 1 50 GLU H . . 3.690 2.841 2.796 2.895 . 0 0 "[ . 1 .]" 1
747 1 49 GLU H 1 50 GLU HA . . 5.500 5.470 5.449 5.506 0.006 15 0 "[ . 1 .]" 1
748 1 49 GLU H 1 52 ILE MD . . 4.780 4.255 4.023 4.540 . 0 0 "[ . 1 .]" 1
749 1 49 GLU HA 1 52 ILE HB . . 3.810 2.993 2.817 3.224 . 0 0 "[ . 1 .]" 1
750 1 49 GLU HA 1 52 ILE MD . . 3.330 2.812 2.454 3.387 0.057 7 0 "[ . 1 .]" 1
751 1 49 GLU HA 1 52 ILE QG . . 4.820 4.136 3.863 4.391 . 0 0 "[ . 1 .]" 1
752 1 49 GLU HA 1 53 GLN H . . 4.830 3.932 3.834 4.079 . 0 0 "[ . 1 .]" 1
753 1 49 GLU QG 1 50 GLU H . . 3.160 2.296 2.076 2.418 . 0 0 "[ . 1 .]" 1
754 1 50 GLU H 1 50 GLU QB . . 3.910 2.218 2.161 2.284 . 0 0 "[ . 1 .]" 1
755 1 50 GLU H 1 50 GLU QG . . 3.970 3.900 2.954 4.081 0.111 14 0 "[ . 1 .]" 1
756 1 50 GLU HA 1 50 GLU HG2 . . 3.690 2.862 2.309 3.686 . 0 0 "[ . 1 .]" 1
757 1 50 GLU HA 1 50 GLU QG . . 3.040 2.358 2.253 2.578 . 0 0 "[ . 1 .]" 1
758 1 50 GLU HA 1 50 GLU HG3 . . 3.690 2.908 2.300 3.638 . 0 0 "[ . 1 .]" 1
759 1 50 GLU HA 1 54 ILE HG12 . . 3.700 3.509 3.254 3.778 0.078 2 0 "[ . 1 .]" 1
760 1 50 GLU QB 1 51 LYS H . . 3.330 2.553 2.383 2.770 . 0 0 "[ . 1 .]" 1
761 1 50 GLU QG 1 54 ILE MD . . 4.200 3.662 3.255 4.778 0.578 13 1 "[ . 1 + .]" 1
762 1 50 GLU QG 1 54 ILE HG12 . . 4.300 3.015 2.457 4.500 0.200 13 0 "[ . 1 .]" 1
763 1 51 LYS H 1 51 LYS HB3 . . 3.890 2.498 2.440 2.623 . 0 0 "[ . 1 .]" 1
764 1 51 LYS H 1 51 LYS QD . . 4.890 4.269 4.122 4.341 . 0 0 "[ . 1 .]" 1
765 1 51 LYS H 1 51 LYS QG . . 4.800 4.050 4.021 4.092 . 0 0 "[ . 1 .]" 1
766 1 51 LYS H 1 52 ILE H . . 4.660 2.924 2.871 2.992 . 0 0 "[ . 1 .]" 1
767 1 51 LYS H 1 52 ILE QG . . 4.600 4.617 4.488 4.709 0.109 15 0 "[ . 1 .]" 1
768 1 51 LYS HA 1 51 LYS QD . . 3.620 2.295 2.204 2.354 . 0 0 "[ . 1 .]" 1
769 1 51 LYS HA 1 53 GLN QB . . 5.500 5.320 5.175 5.486 . 0 0 "[ . 1 .]" 1
770 1 51 LYS HA 1 54 ILE HB . . 3.360 3.232 2.971 3.387 0.027 12 0 "[ . 1 .]" 1
771 1 51 LYS HA 1 54 ILE HG12 . . 5.500 4.722 4.574 4.850 . 0 0 "[ . 1 .]" 1
772 1 51 LYS HA 1 54 ILE MG . . 4.530 4.429 4.167 4.575 0.045 12 0 "[ . 1 .]" 1
773 1 51 LYS HA 1 55 SER H . . 3.870 3.451 3.296 3.562 . 0 0 "[ . 1 .]" 1
774 1 51 LYS HB2 1 52 ILE H . . 5.080 3.845 3.723 3.915 . 0 0 "[ . 1 .]" 1
775 1 51 LYS HB2 1 59 TYR HE2 . . 5.030 2.748 2.634 2.920 . 0 0 "[ . 1 .]" 1
776 1 51 LYS HB3 1 51 LYS HE2 . . 5.500 4.911 4.516 5.535 0.035 12 0 "[ . 1 .]" 1
777 1 51 LYS HB3 1 51 LYS HE3 . . 5.500 4.871 4.645 5.563 0.063 8 0 "[ . 1 .]" 1
778 1 51 LYS HB3 1 52 ILE H . . 3.070 2.468 2.380 2.576 . 0 0 "[ . 1 .]" 1
779 1 51 LYS HB3 1 52 ILE QG . . 4.100 3.185 3.002 3.359 . 0 0 "[ . 1 .]" 1
780 1 51 LYS HB3 1 58 ASN HA . . 5.000 3.995 3.518 4.291 . 0 0 "[ . 1 .]" 1
781 1 51 LYS HB3 1 59 TYR H . . 5.500 4.692 4.268 5.101 . 0 0 "[ . 1 .]" 1
782 1 51 LYS QD 1 55 SER HA . . 5.340 4.818 4.639 5.295 . 0 0 "[ . 1 .]" 1
783 1 51 LYS QD 1 55 SER HB2 . . 4.880 2.438 2.224 2.920 . 0 0 "[ . 1 .]" 1
784 1 51 LYS QD 1 58 ASN HA . . 5.340 5.154 4.531 5.788 0.448 6 0 "[ . 1 .]" 1
785 1 51 LYS QD 1 59 TYR HD1 . . 5.340 4.830 4.375 5.479 0.139 1 0 "[ . 1 .]" 1
786 1 51 LYS QD 1 59 TYR HE2 . . 5.340 4.132 3.863 4.371 . 0 0 "[ . 1 .]" 1
787 1 51 LYS HD2 1 59 TYR HE1 . . 5.500 5.108 4.530 5.927 0.427 1 0 "[ . 1 .]" 1
788 1 51 LYS HD3 1 59 TYR HE1 . . 5.500 3.564 2.954 4.392 . 0 0 "[ . 1 .]" 1
789 1 51 LYS QE 1 55 SER HB3 . . 4.190 3.444 2.621 4.204 0.014 4 0 "[ . 1 .]" 1
790 1 51 LYS QE 1 58 ASN HA . . 5.340 4.516 3.705 5.167 . 0 0 "[ . 1 .]" 1
791 1 51 LYS QE 1 59 TYR HA . . 4.390 3.413 2.670 4.101 . 0 0 "[ . 1 .]" 1
792 1 51 LYS QE 1 59 TYR HD1 . . 4.390 3.355 2.754 4.964 0.574 1 2 "[+ . - 1 .]" 1
793 1 51 LYS QE 1 59 TYR HE1 . . 4.400 3.099 2.610 4.671 0.271 1 0 "[ . 1 .]" 1
794 1 51 LYS HE2 1 55 SER HB2 . . 5.430 4.449 3.479 5.281 . 0 0 "[ . 1 .]" 1
795 1 51 LYS HE2 1 59 TYR HE1 . . 5.010 3.378 2.689 5.232 0.222 1 0 "[ . 1 .]" 1
796 1 51 LYS HE3 1 55 SER HB2 . . 5.430 3.932 2.884 4.906 . 0 0 "[ . 1 .]" 1
797 1 51 LYS HE3 1 59 TYR HE1 . . 5.010 4.264 2.772 5.255 0.245 1 0 "[ . 1 .]" 1
798 1 51 LYS QG 1 52 ILE H . . 4.980 3.365 3.176 3.581 . 0 0 "[ . 1 .]" 1
799 1 51 LYS QG 1 52 ILE HA . . 5.180 3.587 3.397 3.844 . 0 0 "[ . 1 .]" 1
800 1 51 LYS QG 1 52 ILE MD . . 5.500 4.716 4.328 4.950 . 0 0 "[ . 1 .]" 1
801 1 51 LYS QG 1 52 ILE QG . . 4.410 3.377 3.018 3.677 . 0 0 "[ . 1 .]" 1
802 1 51 LYS QG 1 52 ILE MG . . 5.500 5.077 4.775 5.296 . 0 0 "[ . 1 .]" 1
803 1 51 LYS QG 1 55 SER H . . 5.500 4.476 4.339 4.640 . 0 0 "[ . 1 .]" 1
804 1 51 LYS QG 1 55 SER HB2 . . 5.500 3.967 3.685 4.101 . 0 0 "[ . 1 .]" 1
805 1 51 LYS QG 1 55 SER HB3 . . 5.500 3.302 3.160 3.432 . 0 0 "[ . 1 .]" 1
806 1 51 LYS QG 1 57 SER H . . 4.990 4.294 4.075 4.515 . 0 0 "[ . 1 .]" 1
807 1 51 LYS QG 1 58 ASN HA . . 4.350 3.019 2.385 3.607 . 0 0 "[ . 1 .]" 1
808 1 51 LYS QG 1 59 TYR H . . 4.960 3.453 2.941 3.911 . 0 0 "[ . 1 .]" 1
809 1 51 LYS QG 1 59 TYR HA . . 4.880 3.840 3.540 4.152 . 0 0 "[ . 1 .]" 1
810 1 51 LYS QG 1 59 TYR HD1 . . 5.500 4.118 3.776 4.451 . 0 0 "[ . 1 .]" 1
811 1 51 LYS QG 1 59 TYR HD2 . . 5.360 3.421 3.229 3.634 . 0 0 "[ . 1 .]" 1
812 1 51 LYS QG 1 59 TYR HE2 . . 5.010 3.117 2.971 3.317 . 0 0 "[ . 1 .]" 1
813 1 52 ILE H 1 52 ILE HB . . 3.580 2.532 2.477 2.579 . 0 0 "[ . 1 .]" 1
814 1 52 ILE H 1 52 ILE MD . . 3.470 3.346 3.112 3.442 . 0 0 "[ . 1 .]" 1
815 1 52 ILE H 1 52 ILE HG12 . . 4.020 3.617 3.565 3.716 . 0 0 "[ . 1 .]" 1
816 1 52 ILE H 1 52 ILE HG13 . . 4.020 2.206 2.153 2.315 . 0 0 "[ . 1 .]" 1
817 1 52 ILE H 1 52 ILE MG . . 3.940 3.821 3.806 3.832 . 0 0 "[ . 1 .]" 1
818 1 52 ILE H 1 53 GLN H . . 3.560 2.825 2.731 2.862 . 0 0 "[ . 1 .]" 1
819 1 52 ILE H 1 53 GLN QB . . 4.410 4.488 4.411 4.531 0.121 10 0 "[ . 1 .]" 1
820 1 52 ILE HA 1 52 ILE MD . . 4.000 3.923 3.891 3.951 . 0 0 "[ . 1 .]" 1
821 1 52 ILE HA 1 52 ILE QG . . 3.260 2.473 2.414 2.552 . 0 0 "[ . 1 .]" 1
822 1 52 ILE HA 1 52 ILE MG . . 3.240 2.417 2.351 2.457 . 0 0 "[ . 1 .]" 1
823 1 52 ILE HA 1 53 GLN HA . . 4.810 4.843 4.802 4.876 0.066 9 0 "[ . 1 .]" 1
824 1 52 ILE HA 1 55 SER H . . 4.730 4.090 3.921 4.357 . 0 0 "[ . 1 .]" 1
825 1 52 ILE HA 1 56 GLY H . . 4.110 3.074 2.714 3.435 . 0 0 "[ . 1 .]" 1
826 1 52 ILE HA 1 56 GLY QA . . 4.510 3.975 3.863 4.080 . 0 0 "[ . 1 .]" 1
827 1 52 ILE HA 1 57 SER H . . 3.520 3.072 2.808 3.271 . 0 0 "[ . 1 .]" 1
828 1 52 ILE HA 1 58 ASN HA . . 4.620 4.024 3.889 4.438 . 0 0 "[ . 1 .]" 1
829 1 52 ILE HB 1 52 ILE MD . . 3.650 2.302 2.183 2.393 . 0 0 "[ . 1 .]" 1
830 1 52 ILE HB 1 53 GLN H . . 3.540 2.653 2.553 2.771 . 0 0 "[ . 1 .]" 1
831 1 52 ILE HB 1 53 GLN HA . . 4.480 4.463 4.343 4.601 0.121 7 0 "[ . 1 .]" 1
832 1 52 ILE HB 1 56 GLY H . . 5.260 5.547 5.285 5.782 0.522 13 1 "[ . 1 + .]" 1
833 1 52 ILE HB 1 56 GLY QA . . 5.500 5.898 5.649 6.092 0.592 13 2 "[ . 1 + -]" 1
834 1 52 ILE HB 1 58 ASN HA . . 5.240 5.191 5.038 5.380 0.140 1 0 "[ . 1 .]" 1
835 1 52 ILE MD 1 58 ASN H . . 5.020 4.354 4.148 4.638 . 0 0 "[ . 1 .]" 1
836 1 52 ILE MD 1 58 ASN HA . . 3.990 3.445 3.121 3.933 . 0 0 "[ . 1 .]" 1
837 1 52 ILE MD 1 59 TYR H . . 5.270 4.716 4.349 5.140 . 0 0 "[ . 1 .]" 1
838 1 52 ILE QG 1 57 SER H . . 5.100 4.452 4.186 4.667 . 0 0 "[ . 1 .]" 1
839 1 52 ILE QG 1 57 SER HA . . 4.940 3.582 3.186 3.844 . 0 0 "[ . 1 .]" 1
840 1 52 ILE QG 1 58 ASN HA . . 3.670 2.415 2.179 2.704 . 0 0 "[ . 1 .]" 1
841 1 52 ILE QG 1 58 ASN QB . . 5.180 2.743 2.157 3.887 . 0 0 "[ . 1 .]" 1
842 1 52 ILE HG12 1 58 ASN HA . . 4.260 2.734 2.359 3.254 . 0 0 "[ . 1 .]" 1
843 1 52 ILE HG12 1 59 TYR H . . 5.500 5.038 4.749 5.423 . 0 0 "[ . 1 .]" 1
844 1 52 ILE HG13 1 58 ASN HA . . 4.260 2.710 2.557 2.890 . 0 0 "[ . 1 .]" 1
845 1 52 ILE HG13 1 59 TYR H . . 5.500 4.635 4.351 4.885 . 0 0 "[ . 1 .]" 1
846 1 52 ILE MG 1 53 GLN H . . 3.650 3.434 3.327 3.637 . 0 0 "[ . 1 .]" 1
847 1 52 ILE MG 1 53 GLN HA . . 4.120 3.545 3.389 3.773 . 0 0 "[ . 1 .]" 1
848 1 52 ILE MG 1 53 GLN QB . . 4.600 4.206 3.999 4.448 . 0 0 "[ . 1 .]" 1
849 1 52 ILE MG 1 56 GLY H . . 4.650 4.093 3.780 4.431 . 0 0 "[ . 1 .]" 1
850 1 52 ILE MG 1 56 GLY QA . . 4.470 3.681 3.437 3.964 . 0 0 "[ . 1 .]" 1
851 1 52 ILE MG 1 57 SER H . . 4.360 4.083 3.680 4.499 0.139 13 0 "[ . 1 .]" 1
852 1 52 ILE MG 1 57 SER HA . . 3.710 3.238 2.805 3.536 . 0 0 "[ . 1 .]" 1
853 1 52 ILE MG 1 57 SER QB . . 5.250 4.792 4.361 5.087 . 0 0 "[ . 1 .]" 1
854 1 52 ILE MG 1 58 ASN H . . 5.370 4.167 3.860 4.360 . 0 0 "[ . 1 .]" 1
855 1 53 GLN H 1 53 GLN QB . . 3.070 2.189 2.171 2.203 . 0 0 "[ . 1 .]" 1
856 1 53 GLN H 1 53 GLN QG . . 4.140 4.013 3.966 4.063 . 0 0 "[ . 1 .]" 1
857 1 53 GLN H 1 55 SER H . . 4.820 4.546 4.482 4.616 . 0 0 "[ . 1 .]" 1
858 1 53 GLN HA 1 53 GLN QG . . 3.560 2.738 2.368 3.087 . 0 0 "[ . 1 .]" 1
859 1 53 GLN QB 1 54 ILE H . . 3.450 2.564 2.418 2.756 . 0 0 "[ . 1 .]" 1
860 1 53 GLN QB 1 54 ILE HA . . 4.570 4.342 4.207 4.460 . 0 0 "[ . 1 .]" 1
861 1 53 GLN QB 1 55 SER H . . 5.130 4.971 4.861 5.161 0.031 5 0 "[ . 1 .]" 1
862 1 53 GLN QG 1 54 ILE H . . 4.310 3.690 3.485 4.228 . 0 0 "[ . 1 .]" 1
863 1 53 GLN QG 1 54 ILE HA . . 4.830 3.886 3.633 4.727 . 0 0 "[ . 1 .]" 1
864 1 54 ILE H 1 54 ILE HB . . 3.400 2.394 2.361 2.417 . 0 0 "[ . 1 .]" 1
865 1 54 ILE H 1 54 ILE HG12 . . 3.590 2.390 2.290 2.468 . 0 0 "[ . 1 .]" 1
866 1 54 ILE H 1 54 ILE HG13 . . 3.920 3.688 3.591 3.819 . 0 0 "[ . 1 .]" 1
867 1 54 ILE H 1 54 ILE MG . . 3.790 3.783 3.764 3.793 0.003 5 0 "[ . 1 .]" 1
868 1 54 ILE HA 1 54 ILE MD . . 3.030 2.176 2.134 2.194 . 0 0 "[ . 1 .]" 1
869 1 54 ILE HA 1 54 ILE HG12 . . 3.650 3.051 2.982 3.180 . 0 0 "[ . 1 .]" 1
870 1 54 ILE HA 1 54 ILE MG . . 2.840 2.500 2.477 2.536 . 0 0 "[ . 1 .]" 1
871 1 54 ILE HB 1 55 SER H . . 3.680 2.515 2.378 2.565 . 0 0 "[ . 1 .]" 1
872 1 54 ILE HB 1 55 SER HA . . 5.320 4.502 4.413 4.559 . 0 0 "[ . 1 .]" 1
873 1 54 ILE HB 1 55 SER HB2 . . 5.230 3.827 3.615 4.008 . 0 0 "[ . 1 .]" 1
874 1 54 ILE HB 1 56 GLY H . . 5.140 4.918 4.796 5.042 . 0 0 "[ . 1 .]" 1
875 1 54 ILE HG12 1 55 SER H . . 4.370 4.395 4.329 4.442 0.072 14 0 "[ . 1 .]" 1
876 1 54 ILE HG13 1 54 ILE MG . . 3.010 2.345 2.247 2.390 . 0 0 "[ . 1 .]" 1
877 1 54 ILE HG13 1 55 SER H . . 4.820 4.876 4.771 4.936 0.116 10 0 "[ . 1 .]" 1
878 1 54 ILE MG 1 55 SER H . . 3.780 3.182 3.009 3.244 . 0 0 "[ . 1 .]" 1
879 1 54 ILE MG 1 55 SER HA . . 4.140 3.302 3.092 3.399 . 0 0 "[ . 1 .]" 1
880 1 54 ILE MG 1 55 SER HB2 . . 3.910 3.518 3.255 3.762 . 0 0 "[ . 1 .]" 1
881 1 54 ILE MG 1 56 GLY H . . 5.500 5.032 4.860 5.176 . 0 0 "[ . 1 .]" 1
882 1 55 SER H 1 55 SER HB2 . . 3.800 2.476 2.381 2.586 . 0 0 "[ . 1 .]" 1
883 1 55 SER H 1 55 SER HB3 . . 3.840 2.573 2.455 2.692 . 0 0 "[ . 1 .]" 1
884 1 55 SER H 1 57 SER H . . 4.470 4.301 4.189 4.453 . 0 0 "[ . 1 .]" 1
885 1 55 SER HB3 1 56 GLY H . . 4.390 2.847 2.491 3.111 . 0 0 "[ . 1 .]" 1
886 1 55 SER HB3 1 57 SER H . . 4.210 2.643 2.507 2.843 . 0 0 "[ . 1 .]" 1
887 1 56 GLY H 1 57 SER H . . 3.490 2.628 2.466 2.768 . 0 0 "[ . 1 .]" 1
888 1 56 GLY H 1 57 SER HA . . 5.500 4.970 4.833 5.073 . 0 0 "[ . 1 .]" 1
889 1 57 SER H 1 58 ASN H . . 5.500 4.445 4.386 4.472 . 0 0 "[ . 1 .]" 1
890 1 57 SER HA 1 58 ASN H . . 3.240 2.352 2.275 2.428 . 0 0 "[ . 1 .]" 1
891 1 57 SER QB 1 58 ASN H . . 3.890 2.538 2.297 3.312 . 0 0 "[ . 1 .]" 1
892 1 57 SER QB 1 58 ASN QB . . 4.760 4.188 3.873 4.722 . 0 0 "[ . 1 .]" 1
893 1 58 ASN H 1 58 ASN HB2 . . 3.760 2.460 2.214 3.642 . 0 0 "[ . 1 .]" 1
894 1 58 ASN H 1 58 ASN HB3 . . 3.760 2.750 2.478 3.576 . 0 0 "[ . 1 .]" 1
895 1 58 ASN H 1 58 ASN QD . . 4.840 4.395 4.093 4.692 . 0 0 "[ . 1 .]" 1
896 1 58 ASN H 1 59 TYR H . . 5.500 4.603 4.560 4.635 . 0 0 "[ . 1 .]" 1
897 1 58 ASN HA 1 59 TYR HA . . 5.200 4.443 4.397 4.518 . 0 0 "[ . 1 .]" 1
898 1 58 ASN HA 1 59 TYR HD2 . . 4.680 4.338 3.861 4.645 . 0 0 "[ . 1 .]" 1
899 1 58 ASN QB 1 59 TYR H . . 4.390 2.998 2.300 3.290 . 0 0 "[ . 1 .]" 1
900 1 59 TYR H 1 59 TYR HB2 . . 3.830 2.343 2.241 2.496 . 0 0 "[ . 1 .]" 1
901 1 59 TYR H 1 59 TYR HB3 . . 3.820 3.545 3.513 3.590 . 0 0 "[ . 1 .]" 1
902 1 59 TYR H 1 59 TYR HD2 . . 3.450 2.681 2.371 2.985 . 0 0 "[ . 1 .]" 1
903 1 59 TYR H 1 59 TYR HE2 . . 5.070 4.710 4.476 5.120 0.050 12 0 "[ . 1 .]" 1
904 1 59 TYR H 1 65 LEU MD1 . . 5.500 5.395 4.991 5.579 0.079 13 0 "[ . 1 .]" 1
905 1 59 TYR H 1 65 LEU MD2 . . 5.250 5.331 4.987 5.678 0.428 6 0 "[ . 1 .]" 1
906 1 59 TYR HA 1 59 TYR HD1 . . 3.710 2.645 2.460 2.932 . 0 0 "[ . 1 .]" 1
907 1 59 TYR HA 1 64 VAL QG . . 4.370 3.596 3.040 4.044 . 0 0 "[ . 1 .]" 1
908 1 59 TYR HB2 1 60 LYS H . . 5.500 4.025 3.817 4.211 . 0 0 "[ . 1 .]" 1
909 1 59 TYR HB2 1 61 SER H . . 4.770 4.716 4.178 4.999 0.229 6 0 "[ . 1 .]" 1
910 1 59 TYR HB2 1 65 LEU H . . 5.500 5.042 4.791 5.268 . 0 0 "[ . 1 .]" 1
911 1 59 TYR HB2 1 65 LEU MD1 . . 4.570 3.708 3.443 3.834 . 0 0 "[ . 1 .]" 1
912 1 59 TYR HB2 1 65 LEU MD2 . . 4.360 4.143 3.795 4.447 0.087 6 0 "[ . 1 .]" 1
913 1 59 TYR HB3 1 65 LEU HB2 . . 5.160 3.110 2.868 3.395 . 0 0 "[ . 1 .]" 1
914 1 59 TYR HB3 1 65 LEU HB3 . . 5.310 4.795 4.558 5.020 . 0 0 "[ . 1 .]" 1
915 1 59 TYR HB3 1 65 LEU MD1 . . 4.910 4.124 4.026 4.297 . 0 0 "[ . 1 .]" 1
916 1 59 TYR HB3 1 65 LEU MD2 . . 4.710 4.445 4.174 4.639 . 0 0 "[ . 1 .]" 1
917 1 59 TYR HD1 1 60 LYS H . . 5.500 3.445 3.053 3.937 . 0 0 "[ . 1 .]" 1
918 1 59 TYR HD1 1 64 VAL HB . . 4.320 2.967 2.250 4.500 0.180 3 0 "[ . 1 .]" 1
919 1 59 TYR HD1 1 64 VAL MG1 . . 3.980 2.428 2.155 4.062 0.082 2 0 "[ . 1 .]" 1
920 1 59 TYR HD1 1 64 VAL QG . . 3.080 2.241 1.996 2.415 . 0 0 "[ . 1 .]" 1
921 1 59 TYR HD1 1 64 VAL MG2 . . 3.980 3.331 2.144 3.900 . 0 0 "[ . 1 .]" 1
922 1 59 TYR HD1 1 65 LEU HA . . 5.500 3.552 3.090 4.155 . 0 0 "[ . 1 .]" 1
923 1 59 TYR HD1 1 65 LEU HB2 . . 5.500 4.328 3.743 5.088 . 0 0 "[ . 1 .]" 1
924 1 59 TYR HD2 1 65 LEU HA . . 5.360 4.347 3.979 4.794 . 0 0 "[ . 1 .]" 1
925 1 59 TYR HD2 1 65 LEU HB2 . . 5.500 4.843 4.666 5.084 . 0 0 "[ . 1 .]" 1
926 1 59 TYR HD2 1 65 LEU MD1 . . 5.490 4.017 3.857 4.205 . 0 0 "[ . 1 .]" 1
927 1 59 TYR HD2 1 65 LEU MD2 . . 3.670 3.207 2.774 3.703 0.033 8 0 "[ . 1 .]" 1
928 1 59 TYR HE1 1 64 VAL QG . . 3.010 2.372 2.151 3.603 0.593 2 1 "[ + . 1 .]" 1
929 1 59 TYR HE1 1 65 LEU HA . . 5.010 3.579 2.837 4.293 . 0 0 "[ . 1 .]" 1
930 1 59 TYR HE2 1 65 LEU HA . . 4.780 4.390 4.145 4.663 . 0 0 "[ . 1 .]" 1
931 1 59 TYR HE2 1 65 LEU MD1 . . 5.270 5.136 4.983 5.239 . 0 0 "[ . 1 .]" 1
932 1 59 TYR HE2 1 65 LEU MD2 . . 3.720 3.113 2.847 3.363 . 0 0 "[ . 1 .]" 1
933 1 60 LYS H 1 61 SER H . . 4.350 2.465 2.069 2.768 . 0 0 "[ . 1 .]" 1
934 1 60 LYS H 1 61 SER HA . . 5.130 5.124 4.886 5.360 0.230 9 0 "[ . 1 .]" 1
935 1 60 LYS HA 1 60 LYS QD . . 4.290 3.294 2.167 4.223 . 0 0 "[ . 1 .]" 1
936 1 60 LYS HA 1 60 LYS QG . . 3.660 2.572 2.281 3.080 . 0 0 "[ . 1 .]" 1
937 1 60 LYS HA 1 64 VAL QG . . 4.960 4.926 4.731 5.449 0.489 5 0 "[ . 1 .]" 1
938 1 60 LYS QB 1 64 VAL QG . . 3.900 3.105 2.426 4.189 0.289 14 0 "[ . 1 .]" 1
939 1 60 LYS HB2 1 61 SER HA . . 5.500 5.022 4.781 5.275 . 0 0 "[ . 1 .]" 1
940 1 60 LYS HB3 1 61 SER HA . . 5.500 4.879 4.642 5.128 . 0 0 "[ . 1 .]" 1
941 1 61 SER H 1 61 SER HB2 . . 4.180 2.987 2.797 3.906 . 0 0 "[ . 1 .]" 1
942 1 61 SER H 1 61 SER HB3 . . 4.180 3.796 2.848 3.941 . 0 0 "[ . 1 .]" 1
943 1 61 SER H 1 62 LEU H . . 5.500 4.417 4.351 4.448 . 0 0 "[ . 1 .]" 1
944 1 61 SER H 1 63 GLU H . . 5.390 5.057 4.810 5.505 0.115 14 0 "[ . 1 .]" 1
945 1 61 SER H 1 64 VAL HB . . 4.950 3.807 3.026 5.269 0.319 2 0 "[ . 1 .]" 1
946 1 61 SER H 1 64 VAL QG . . 4.620 2.797 2.482 3.200 . 0 0 "[ . 1 .]" 1
947 1 61 SER H 1 65 LEU MD1 . . 5.500 5.745 5.286 5.954 0.454 7 0 "[ . 1 .]" 1
948 1 61 SER H 1 65 LEU HG . . 5.500 5.865 5.312 6.126 0.626 8 6 "[ .*-+*1 * *]" 1
949 1 61 SER HA 1 62 LEU H . . 3.430 2.360 2.196 2.470 . 0 0 "[ . 1 .]" 1
950 1 61 SER HA 1 62 LEU MD1 . . 5.180 4.735 3.317 5.318 0.138 9 0 "[ . 1 .]" 1
951 1 61 SER HA 1 62 LEU QD . . 4.140 3.329 3.080 4.266 0.126 3 0 "[ . 1 .]" 1
952 1 61 SER HA 1 62 LEU MD2 . . 5.180 3.528 3.121 5.196 0.016 14 0 "[ . 1 .]" 1
953 1 61 SER HA 1 63 GLU H . . 4.550 4.366 4.006 4.560 0.010 7 0 "[ . 1 .]" 1
954 1 61 SER HA 1 64 VAL QG . . 5.090 4.679 4.193 5.011 . 0 0 "[ . 1 .]" 1
955 1 61 SER QB 1 62 LEU H . . 3.690 2.588 2.324 3.534 . 0 0 "[ . 1 .]" 1
956 1 61 SER QB 1 62 LEU QD . . 4.510 3.940 3.515 4.770 0.260 3 0 "[ . 1 .]" 1
957 1 61 SER QB 1 63 GLU H . . 3.450 2.797 2.482 3.304 . 0 0 "[ . 1 .]" 1
958 1 61 SER QB 1 63 GLU QG . . 4.080 3.405 2.188 3.943 . 0 0 "[ . 1 .]" 1
959 1 61 SER QB 1 64 VAL H . . 4.110 3.197 2.855 3.941 . 0 0 "[ . 1 .]" 1
960 1 61 SER QB 1 64 VAL HB . . 5.340 4.525 3.832 5.345 0.005 11 0 "[ . 1 .]" 1
961 1 61 SER QB 1 64 VAL QG . . 3.840 2.883 2.186 3.655 . 0 0 "[ . 1 .]" 1
962 1 61 SER HB2 1 62 LEU H . . 4.390 3.594 2.731 3.990 . 0 0 "[ . 1 .]" 1
963 1 61 SER HB2 1 63 GLU H . . 3.960 3.384 2.510 4.299 0.339 13 0 "[ . 1 .]" 1
964 1 61 SER HB3 1 62 LEU H . . 4.390 2.760 2.359 3.951 . 0 0 "[ . 1 .]" 1
965 1 61 SER HB3 1 63 GLU H . . 3.960 3.160 2.804 4.589 0.629 11 1 "[ . 1+ .]" 1
966 1 62 LEU H 1 62 LEU HB2 . . 3.610 2.441 2.273 2.595 . 0 0 "[ . 1 .]" 1
967 1 62 LEU H 1 62 LEU HB3 . . 3.610 3.606 3.540 3.617 0.007 3 0 "[ . 1 .]" 1
968 1 62 LEU H 1 62 LEU QD . . 4.030 2.224 1.982 3.075 . 0 0 "[ . 1 .]" 1
969 1 62 LEU H 1 62 LEU HG . . 4.310 3.719 2.099 4.012 . 0 0 "[ . 1 .]" 1
970 1 62 LEU H 1 63 GLU QG . . 4.710 4.326 4.038 4.595 . 0 0 "[ . 1 .]" 1
971 1 62 LEU H 1 64 VAL H . . 5.070 4.739 4.513 4.871 . 0 0 "[ . 1 .]" 1
972 1 62 LEU H 1 65 LEU MD1 . . 5.340 5.197 5.038 5.510 0.170 14 0 "[ . 1 .]" 1
973 1 62 LEU HA 1 62 LEU QD . . 3.260 2.088 2.022 2.373 . 0 0 "[ . 1 .]" 1
974 1 62 LEU HA 1 65 LEU H . . 4.160 3.366 3.225 3.726 . 0 0 "[ . 1 .]" 1
975 1 62 LEU HA 1 65 LEU HB2 . . 4.550 2.650 2.397 3.178 . 0 0 "[ . 1 .]" 1
976 1 62 LEU HA 1 65 LEU HB3 . . 4.010 2.739 2.561 3.043 . 0 0 "[ . 1 .]" 1
977 1 62 LEU HA 1 65 LEU MD1 . . 4.030 3.176 2.971 3.436 . 0 0 "[ . 1 .]" 1
978 1 62 LEU HA 1 65 LEU MD2 . . 4.990 4.901 4.767 5.270 0.280 14 0 "[ . 1 .]" 1
979 1 62 LEU HA 1 66 VAL H . . 4.700 3.651 3.432 3.865 . 0 0 "[ . 1 .]" 1
980 1 62 LEU HA 1 66 VAL HA . . 5.500 6.034 5.857 6.226 0.726 3 9 "[ *+ * *-****.]" 1
981 1 62 LEU QB 1 62 LEU QD . . 2.790 2.071 1.946 2.102 . 0 0 "[ . 1 .]" 1
982 1 62 LEU QB 1 63 GLU H . . 3.950 2.746 2.513 2.905 . 0 0 "[ . 1 .]" 1
983 1 62 LEU QB 1 65 LEU MD1 . . 5.110 4.412 4.237 4.933 . 0 0 "[ . 1 .]" 1
984 1 62 LEU QB 1 66 VAL H . . 5.340 4.156 3.961 4.479 . 0 0 "[ . 1 .]" 1
985 1 62 LEU QD 1 63 GLU H . . 4.300 3.966 3.879 4.145 . 0 0 "[ . 1 .]" 1
986 1 62 LEU QD 1 65 LEU MD1 . . 4.160 2.457 2.195 3.750 . 0 0 "[ . 1 .]" 1
987 1 62 LEU HG 1 65 LEU MD1 . . 5.500 4.895 4.353 5.206 . 0 0 "[ . 1 .]" 1
988 1 63 GLU H 1 63 GLU QB . . 3.160 2.486 2.408 2.555 . 0 0 "[ . 1 .]" 1
989 1 63 GLU H 1 63 GLU QG . . 3.560 2.184 2.096 2.331 . 0 0 "[ . 1 .]" 1
990 1 63 GLU H 1 64 VAL H . . 3.670 3.028 2.952 3.126 . 0 0 "[ . 1 .]" 1
991 1 63 GLU H 1 64 VAL QG . . 4.360 4.230 3.987 4.363 0.003 4 0 "[ . 1 .]" 1
992 1 63 GLU H 1 65 LEU H . . 5.090 4.260 4.078 4.363 . 0 0 "[ . 1 .]" 1
993 1 63 GLU HA 1 63 GLU QG . . 3.050 2.660 2.326 3.377 0.327 7 0 "[ . 1 .]" 1
994 1 63 GLU HA 1 66 VAL MG1 . . 4.890 4.230 4.140 4.301 . 0 0 "[ . 1 .]" 1
995 1 63 GLU HA 1 66 VAL MG2 . . 3.390 2.466 2.315 2.578 . 0 0 "[ . 1 .]" 1
996 1 63 GLU HA 1 67 ALA H . . 4.650 4.090 3.906 4.217 . 0 0 "[ . 1 .]" 1
997 1 63 GLU QB 1 64 VAL H . . 3.800 2.476 2.315 3.588 . 0 0 "[ . 1 .]" 1
998 1 63 GLU QB 1 64 VAL QG . . 4.250 3.212 2.884 3.892 . 0 0 "[ . 1 .]" 1
999 1 63 GLU QB 1 66 VAL MG2 . . 4.160 4.143 3.957 4.267 0.107 1 0 "[ . 1 .]" 1
1000 1 64 VAL H 1 64 VAL HB . . 3.410 2.756 2.623 3.671 0.261 2 0 "[ . 1 .]" 1
1001 1 64 VAL H 1 64 VAL QG . . 2.970 2.079 1.941 2.229 . 0 0 "[ . 1 .]" 1
1002 1 64 VAL H 1 65 LEU HA . . 5.500 5.254 5.033 5.362 . 0 0 "[ . 1 .]" 1
1003 1 64 VAL H 1 66 VAL H . . 4.720 4.473 4.195 4.600 . 0 0 "[ . 1 .]" 1
1004 1 64 VAL H 1 66 VAL MG1 . . 5.500 5.560 5.244 5.726 0.226 13 0 "[ . 1 .]" 1
1005 1 64 VAL H 1 67 ALA MB . . 4.460 4.670 4.578 4.735 0.275 6 0 "[ . 1 .]" 1
1006 1 64 VAL HA 1 64 VAL MG1 . . 3.280 2.567 2.246 3.271 . 0 0 "[ . 1 .]" 1
1007 1 64 VAL HA 1 64 VAL QG . . 2.780 2.189 2.128 2.302 . 0 0 "[ . 1 .]" 1
1008 1 64 VAL HA 1 64 VAL MG2 . . 3.280 2.528 2.334 3.267 . 0 0 "[ . 1 .]" 1
1009 1 64 VAL HA 1 67 ALA H . . 3.830 3.753 3.677 3.832 0.002 12 0 "[ . 1 .]" 1
1010 1 64 VAL HA 1 67 ALA MB . . 3.130 2.651 2.549 2.745 . 0 0 "[ . 1 .]" 1
1011 1 64 VAL HA 1 68 ASP H . . 4.490 3.870 3.749 3.996 . 0 0 "[ . 1 .]" 1
1012 1 64 VAL HB 1 65 LEU H . . 3.990 3.097 2.564 4.104 0.114 14 0 "[ . 1 .]" 1
1013 1 64 VAL HB 1 65 LEU HA . . 5.500 4.614 4.095 5.837 0.337 3 0 "[ . 1 .]" 1
1014 1 64 VAL QG 1 67 ALA H . . 5.280 4.657 4.596 4.808 . 0 0 "[ . 1 .]" 1
1015 1 65 LEU H 1 65 LEU HB2 . . 3.760 2.137 2.094 2.187 . 0 0 "[ . 1 .]" 1
1016 1 65 LEU H 1 65 LEU HB3 . . 3.690 2.962 2.883 3.132 . 0 0 "[ . 1 .]" 1
1017 1 65 LEU H 1 65 LEU MD1 . . 4.270 4.266 4.216 4.316 0.046 14 0 "[ . 1 .]" 1
1018 1 65 LEU H 1 65 LEU MD2 . . 4.600 4.260 4.247 4.275 . 0 0 "[ . 1 .]" 1
1019 1 65 LEU H 1 65 LEU HG . . 5.260 4.056 3.882 4.169 . 0 0 "[ . 1 .]" 1
1020 1 65 LEU H 1 66 VAL H . . 3.850 2.908 2.830 2.959 . 0 0 "[ . 1 .]" 1
1021 1 65 LEU H 1 66 VAL MG2 . . 4.290 4.337 4.266 4.401 0.111 12 0 "[ . 1 .]" 1
1022 1 65 LEU H 1 67 ALA H . . 4.830 4.250 4.188 4.301 . 0 0 "[ . 1 .]" 1
1023 1 65 LEU H 1 68 ASP HB2 . . 5.500 5.220 5.139 5.323 . 0 0 "[ . 1 .]" 1
1024 1 65 LEU HA 1 65 LEU MD1 . . 3.860 3.845 3.827 3.863 0.003 7 0 "[ . 1 .]" 1
1025 1 65 LEU HA 1 65 LEU MD2 . . 3.150 2.151 2.097 2.200 . 0 0 "[ . 1 .]" 1
1026 1 65 LEU HA 1 65 LEU HG . . 3.890 2.809 2.733 2.925 . 0 0 "[ . 1 .]" 1
1027 1 65 LEU HA 1 68 ASP H . . 3.930 3.946 3.910 4.023 0.093 2 0 "[ . 1 .]" 1
1028 1 65 LEU HA 1 69 LEU HG . . 5.420 4.288 4.155 4.344 . 0 0 "[ . 1 .]" 1
1029 1 65 LEU HB2 1 66 VAL H . . 4.480 3.398 3.225 3.463 . 0 0 "[ . 1 .]" 1
1030 1 65 LEU HB2 1 69 LEU QD . . 4.800 4.771 4.525 4.902 0.102 12 0 "[ . 1 .]" 1
1031 1 65 LEU HB3 1 66 VAL H . . 3.130 2.374 2.329 2.420 . 0 0 "[ . 1 .]" 1
1032 1 65 LEU HB3 1 66 VAL MG2 . . 4.540 4.264 4.142 4.412 . 0 0 "[ . 1 .]" 1
1033 1 65 LEU HB3 1 69 LEU QD . . 3.750 3.558 3.203 3.765 0.015 12 0 "[ . 1 .]" 1
1034 1 65 LEU MD1 1 66 VAL H . . 4.300 4.133 4.042 4.253 . 0 0 "[ . 1 .]" 1
1035 1 65 LEU MD1 1 69 LEU QD . . 3.950 3.072 2.839 3.222 . 0 0 "[ . 1 .]" 1
1036 1 65 LEU MD2 1 66 VAL HA . . 5.260 3.770 3.569 4.135 . 0 0 "[ . 1 .]" 1
1037 1 65 LEU MD2 1 68 ASP H . . 4.900 4.845 4.772 4.933 0.033 4 0 "[ . 1 .]" 1
1038 1 65 LEU MD2 1 68 ASP HB2 . . 4.660 3.819 3.721 3.951 . 0 0 "[ . 1 .]" 1
1039 1 65 LEU MD2 1 69 LEU QD . . 3.190 2.019 1.984 2.058 . 0 0 "[ . 1 .]" 1
1040 1 65 LEU HG 1 69 LEU QD . . 4.750 4.444 4.397 4.498 . 0 0 "[ . 1 .]" 1
1041 1 66 VAL H 1 66 VAL HB . . 3.750 3.690 3.668 3.701 . 0 0 "[ . 1 .]" 1
1042 1 66 VAL H 1 66 VAL MG1 . . 3.560 2.129 2.065 2.156 . 0 0 "[ . 1 .]" 1
1043 1 66 VAL H 1 66 VAL MG2 . . 3.460 2.335 2.283 2.407 . 0 0 "[ . 1 .]" 1
1044 1 66 VAL H 1 67 ALA H . . 3.630 2.734 2.706 2.763 . 0 0 "[ . 1 .]" 1
1045 1 66 VAL H 1 67 ALA MB . . 5.140 4.370 4.331 4.407 . 0 0 "[ . 1 .]" 1
1046 1 66 VAL H 1 68 ASP H . . 4.970 4.403 4.340 4.471 . 0 0 "[ . 1 .]" 1
1047 1 66 VAL H 1 69 LEU QD . . 4.300 3.823 3.609 3.909 . 0 0 "[ . 1 .]" 1
1048 1 66 VAL HA 1 66 VAL MG2 . . 3.330 3.254 3.248 3.256 . 0 0 "[ . 1 .]" 1
1049 1 66 VAL HA 1 67 ALA HA . . 5.500 4.828 4.815 4.837 . 0 0 "[ . 1 .]" 1
1050 1 66 VAL HA 1 69 LEU H . . 4.210 3.242 3.167 3.330 . 0 0 "[ . 1 .]" 1
1051 1 66 VAL HA 1 69 LEU HA . . 5.290 5.027 4.997 5.094 . 0 0 "[ . 1 .]" 1
1052 1 66 VAL HA 1 69 LEU QB . . 4.170 2.169 2.133 2.210 . 0 0 "[ . 1 .]" 1
1053 1 66 VAL HA 1 69 LEU QD . . 3.460 2.072 2.018 2.121 . 0 0 "[ . 1 .]" 1
1054 1 66 VAL HA 1 69 LEU HG . . 5.500 3.667 3.621 3.752 . 0 0 "[ . 1 .]" 1
1055 1 66 VAL HA 1 70 VAL H . . 4.470 3.814 3.731 3.869 . 0 0 "[ . 1 .]" 1
1056 1 66 VAL HA 1 70 VAL QG . . 4.170 3.866 3.765 3.917 . 0 0 "[ . 1 .]" 1
1057 1 66 VAL HB 1 67 ALA H . . 3.850 4.005 3.983 4.026 0.176 15 0 "[ . 1 .]" 1
1058 1 66 VAL HB 1 67 ALA HA . . 5.500 4.857 4.843 4.879 . 0 0 "[ . 1 .]" 1
1059 1 66 VAL MG1 1 69 LEU QD . . 3.580 2.684 2.634 2.793 . 0 0 "[ . 1 .]" 1
1060 1 66 VAL MG2 1 67 ALA H . . 3.570 2.426 2.313 2.455 . 0 0 "[ . 1 .]" 1
1061 1 66 VAL MG2 1 67 ALA HA . . 3.900 3.541 3.484 3.575 . 0 0 "[ . 1 .]" 1
1062 1 66 VAL MG2 1 67 ALA MB . . 3.370 3.318 3.268 3.340 . 0 0 "[ . 1 .]" 1
1063 1 66 VAL MG2 1 69 LEU QD . . 4.130 4.384 4.350 4.401 0.271 6 0 "[ . 1 .]" 1
1064 1 67 ALA H 1 67 ALA MB . . 2.950 2.222 2.213 2.234 . 0 0 "[ . 1 .]" 1
1065 1 67 ALA H 1 68 ASP HB2 . . 4.930 4.820 4.737 4.908 . 0 0 "[ . 1 .]" 1
1066 1 67 ALA H 1 69 LEU H . . 4.880 4.097 4.058 4.155 . 0 0 "[ . 1 .]" 1
1067 1 67 ALA H 1 70 VAL H . . 5.230 4.938 4.866 5.018 . 0 0 "[ . 1 .]" 1
1068 1 67 ALA H 1 70 VAL QG . . 5.500 4.217 4.116 4.287 . 0 0 "[ . 1 .]" 1
1069 1 67 ALA HA 1 69 LEU H . . 5.160 4.573 4.532 4.612 . 0 0 "[ . 1 .]" 1
1070 1 67 ALA HA 1 70 VAL H . . 4.260 3.811 3.768 3.885 . 0 0 "[ . 1 .]" 1
1071 1 67 ALA HA 1 70 VAL QG . . 3.490 2.301 2.195 2.393 . 0 0 "[ . 1 .]" 1
1072 1 67 ALA MB 1 68 ASP H . . 3.260 2.411 2.380 2.450 . 0 0 "[ . 1 .]" 1
1073 1 67 ALA MB 1 70 VAL H . . 5.100 4.963 4.914 5.020 . 0 0 "[ . 1 .]" 1
1074 1 67 ALA MB 1 71 ASN QB . . 4.500 4.209 4.018 4.296 . 0 0 "[ . 1 .]" 1
1075 1 68 ASP H 1 68 ASP HB2 . . 3.490 2.338 2.296 2.406 . 0 0 "[ . 1 .]" 1
1076 1 68 ASP H 1 68 ASP HB3 . . 3.770 3.573 3.551 3.612 . 0 0 "[ . 1 .]" 1
1077 1 68 ASP H 1 69 LEU H . . 3.710 2.787 2.770 2.804 . 0 0 "[ . 1 .]" 1
1078 1 68 ASP H 1 69 LEU HG . . 4.730 5.134 5.042 5.191 0.461 2 0 "[ . 1 .]" 1
1079 1 68 ASP H 1 70 VAL H . . 5.360 4.683 4.615 4.772 . 0 0 "[ . 1 .]" 1
1080 1 68 ASP HB2 1 69 LEU H . . 4.380 2.935 2.825 3.024 . 0 0 "[ . 1 .]" 1
1081 1 68 ASP HB3 1 69 LEU H . . 4.570 3.566 3.451 3.725 . 0 0 "[ . 1 .]" 1
1082 1 68 ASP HB3 1 72 ALA MB . . 4.060 3.946 3.798 4.044 . 0 0 "[ . 1 .]" 1
1083 1 69 LEU H 1 69 LEU QB . . 3.830 2.324 2.308 2.350 . 0 0 "[ . 1 .]" 1
1084 1 69 LEU H 1 69 LEU QD . . 4.170 3.268 3.184 3.312 . 0 0 "[ . 1 .]" 1
1085 1 69 LEU H 1 69 LEU HG . . 4.000 2.686 2.596 2.749 . 0 0 "[ . 1 .]" 1
1086 1 69 LEU H 1 70 VAL QG . . 4.250 4.069 4.022 4.106 . 0 0 "[ . 1 .]" 1
1087 1 69 LEU H 1 72 ALA MB . . 4.710 4.672 4.625 4.730 0.020 15 0 "[ . 1 .]" 1
1088 1 69 LEU HA 1 69 LEU QD . . 3.000 2.182 2.148 2.238 . 0 0 "[ . 1 .]" 1
1089 1 69 LEU HA 1 69 LEU HG . . 4.030 2.735 2.700 2.762 . 0 0 "[ . 1 .]" 1
1090 1 69 LEU HA 1 71 ASN QB . . 5.500 5.158 4.994 5.325 . 0 0 "[ . 1 .]" 1
1091 1 69 LEU HA 1 72 ALA H . . 3.990 3.608 3.489 3.676 . 0 0 "[ . 1 .]" 1
1092 1 69 LEU HA 1 72 ALA MB . . 3.410 2.806 2.711 2.900 . 0 0 "[ . 1 .]" 1
1093 1 69 LEU HA 1 73 GLN H . . 4.380 4.012 3.911 4.142 . 0 0 "[ . 1 .]" 1
1094 1 69 LEU QB 1 70 VAL H . . 4.230 2.412 2.368 2.485 . 0 0 "[ . 1 .]" 1
1095 1 69 LEU QB 1 72 ALA H . . 5.500 4.993 4.875 5.061 . 0 0 "[ . 1 .]" 1
1096 1 69 LEU QB 1 73 GLN H . . 5.500 4.852 4.771 4.993 . 0 0 "[ . 1 .]" 1
1097 1 69 LEU QD 1 70 VAL H . . 4.810 4.004 3.962 4.069 . 0 0 "[ . 1 .]" 1
1098 1 69 LEU QD 1 72 ALA MB . . 4.170 3.651 3.543 3.737 . 0 0 "[ . 1 .]" 1
1099 1 69 LEU HG 1 70 VAL H . . 5.220 4.713 4.654 4.742 . 0 0 "[ . 1 .]" 1
1100 1 70 VAL H 1 70 VAL HB . . 3.620 3.742 3.721 3.759 0.139 5 0 "[ . 1 .]" 1
1101 1 70 VAL H 1 70 VAL QG . . 3.120 2.057 2.016 2.093 . 0 0 "[ . 1 .]" 1
1102 1 70 VAL H 1 71 ASN H . . 3.670 2.798 2.759 2.840 . 0 0 "[ . 1 .]" 1
1103 1 70 VAL H 1 71 ASN HA . . 5.500 5.443 5.412 5.475 . 0 0 "[ . 1 .]" 1
1104 1 70 VAL H 1 71 ASN QB . . 4.560 4.500 4.441 4.578 0.018 11 0 "[ . 1 .]" 1
1105 1 70 VAL H 1 73 GLN QG . . 5.340 4.697 4.306 5.255 . 0 0 "[ . 1 .]" 1
1106 1 70 VAL HA 1 70 VAL QG . . 3.000 2.274 2.248 2.289 . 0 0 "[ . 1 .]" 1
1107 1 70 VAL HA 1 71 ASN QB . . 5.500 5.175 5.138 5.230 . 0 0 "[ . 1 .]" 1
1108 1 70 VAL HA 1 72 ALA MB . . 5.430 5.132 4.942 5.325 . 0 0 "[ . 1 .]" 1
1109 1 70 VAL HA 1 73 GLN H . . 4.070 3.560 3.397 3.850 . 0 0 "[ . 1 .]" 1
1110 1 70 VAL HA 1 73 GLN HG2 . . 5.070 3.405 2.122 5.116 0.046 6 0 "[ . 1 .]" 1
1111 1 70 VAL HA 1 73 GLN QG . . 4.310 2.827 2.104 3.904 . 0 0 "[ . 1 .]" 1
1112 1 70 VAL HA 1 73 GLN HG3 . . 5.070 3.405 2.170 4.462 . 0 0 "[ . 1 .]" 1
1113 1 70 VAL HA 1 74 LYS QG . . 5.340 4.315 3.804 4.862 . 0 0 "[ . 1 .]" 1
1114 1 70 VAL HB 1 71 ASN H . . 4.110 3.927 3.810 4.140 0.030 14 0 "[ . 1 .]" 1
1115 1 70 VAL HB 1 71 ASN HA . . 5.500 4.685 4.550 4.838 . 0 0 "[ . 1 .]" 1
1116 1 70 VAL HB 1 74 LYS QG . . 5.320 4.106 3.423 4.836 . 0 0 "[ . 1 .]" 1
1117 1 70 VAL QG 1 71 ASN H . . 3.790 2.420 2.286 2.716 . 0 0 "[ . 1 .]" 1
1118 1 70 VAL QG 1 71 ASN HA . . 4.090 3.523 3.416 3.655 . 0 0 "[ . 1 .]" 1
1119 1 70 VAL QG 1 71 ASN QB . . 4.490 3.207 3.062 3.353 . 0 0 "[ . 1 .]" 1
1120 1 70 VAL QG 1 74 LYS QE . . 3.870 3.476 2.912 4.193 0.323 11 0 "[ . 1 .]" 1
1121 1 71 ASN H 1 71 ASN QB . . 3.090 2.225 2.200 2.280 . 0 0 "[ . 1 .]" 1
1122 1 71 ASN HA 1 71 ASN QD . . 4.280 3.802 2.255 4.009 . 0 0 "[ . 1 .]" 1
1123 1 71 ASN HA 1 72 ALA MB . . 5.200 5.055 5.038 5.071 . 0 0 "[ . 1 .]" 1
1124 1 71 ASN HA 1 73 GLN H . . 5.130 4.582 4.306 4.970 . 0 0 "[ . 1 .]" 1
1125 1 71 ASN HA 1 74 LYS QB . . 4.150 3.197 2.572 3.835 . 0 0 "[ . 1 .]" 1
1126 1 71 ASN HA 1 74 LYS QD . . 4.740 3.504 2.463 4.577 . 0 0 "[ . 1 .]" 1
1127 1 71 ASN HA 1 74 LYS QG . . 4.370 3.317 2.095 4.363 . 0 0 "[ . 1 .]" 1
1128 1 71 ASN QB 1 71 ASN HD22 . . 3.790 3.313 3.283 3.456 . 0 0 "[ . 1 .]" 1
1129 1 71 ASN QB 1 72 ALA H . . 4.060 2.582 2.352 2.918 . 0 0 "[ . 1 .]" 1
1130 1 71 ASN QB 1 72 ALA HA . . 4.480 4.324 4.175 4.397 . 0 0 "[ . 1 .]" 1
1131 1 71 ASN QB 1 72 ALA MB . . 4.130 3.846 3.721 4.040 . 0 0 "[ . 1 .]" 1
1132 1 71 ASN QB 1 74 LYS QB . . 4.980 4.922 4.500 5.337 0.357 9 0 "[ . 1 .]" 1
1133 1 71 ASN QD 1 72 ALA MB . . 5.150 4.074 3.492 5.233 0.083 1 0 "[ . 1 .]" 1
1134 1 71 ASN QD 1 74 LYS QB . . 5.340 5.209 3.782 5.575 0.235 9 0 "[ . 1 .]" 1
1135 1 72 ALA H 1 72 ALA MB . . 2.850 2.202 2.184 2.220 . 0 0 "[ . 1 .]" 1
1136 1 72 ALA HA 1 73 GLN QG . . 5.330 5.377 5.077 5.540 0.210 11 0 "[ . 1 .]" 1
1137 1 72 ALA MB 1 73 GLN H . . 3.180 2.654 2.383 2.794 . 0 0 "[ . 1 .]" 1
1138 1 72 ALA MB 1 73 GLN QB . . 4.340 4.079 3.691 4.446 0.106 10 0 "[ . 1 .]" 1
1139 1 72 ALA MB 1 73 GLN QG . . 4.650 3.868 3.019 4.411 . 0 0 "[ . 1 .]" 1
1140 1 73 GLN H 1 73 GLN QB . . 3.020 2.416 2.256 2.590 . 0 0 "[ . 1 .]" 1
1141 1 73 GLN H 1 73 GLN HG2 . . 3.880 2.892 2.203 3.720 . 0 0 "[ . 1 .]" 1
1142 1 73 GLN H 1 73 GLN QG . . 3.380 2.409 2.177 2.656 . 0 0 "[ . 1 .]" 1
1143 1 73 GLN H 1 73 GLN HG3 . . 3.880 3.171 2.322 3.896 0.016 9 0 "[ . 1 .]" 1
1144 1 73 GLN QB 1 74 LYS HA . . 4.470 4.561 4.114 4.927 0.457 11 0 "[ . 1 .]" 1
1145 1 74 LYS H 1 74 LYS QB . . 2.990 2.357 2.159 2.561 . 0 0 "[ . 1 .]" 1
1146 1 74 LYS H 1 74 LYS QG . . 3.320 2.604 2.256 3.158 . 0 0 "[ . 1 .]" 1
1147 1 74 LYS H 1 75 ASP H . . 4.860 3.811 2.402 4.646 . 0 0 "[ . 1 .]" 1
1148 1 74 LYS HA 1 74 LYS HG2 . . 3.970 2.664 2.299 3.296 . 0 0 "[ . 1 .]" 1
1149 1 74 LYS HA 1 74 LYS QG . . 3.370 2.520 2.204 3.114 . 0 0 "[ . 1 .]" 1
1150 1 74 LYS HA 1 74 LYS HG3 . . 3.970 3.183 2.686 3.828 . 0 0 "[ . 1 .]" 1
1151 1 74 LYS HA 1 75 ASP H . . 3.510 2.813 2.086 3.573 0.063 1 0 "[ . 1 .]" 1
1152 1 74 LYS HA 1 75 ASP QB . . 5.320 4.657 3.944 5.332 0.012 4 0 "[ . 1 .]" 1
1153 1 74 LYS QB 1 75 ASP H . . 3.630 2.587 2.065 3.668 0.038 15 0 "[ . 1 .]" 1
1154 1 75 ASP H 1 75 ASP QB . . 3.020 2.738 2.320 3.141 0.121 1 0 "[ . 1 .]" 1
1155 1 75 ASP HA 1 76 SER H . . 3.530 2.658 2.159 3.483 . 0 0 "[ . 1 .]" 1
1156 1 75 ASP QB 1 76 SER H . . 3.930 3.361 2.319 4.065 0.135 12 0 "[ . 1 .]" 1
1157 1 76 SER H 1 76 SER QB . . 3.260 2.493 2.226 2.823 . 0 0 "[ . 1 .]" 1
1158 1 77 MET H 1 77 MET QB . . 3.450 2.548 2.170 3.197 . 0 0 "[ . 1 .]" 1
1159 1 77 MET H 1 77 MET QG . . 3.890 2.800 2.283 3.991 0.101 8 0 "[ . 1 .]" 1
1160 1 77 MET HA 1 77 MET ME . . 3.790 3.476 2.141 4.359 0.569 11 1 "[ . 1+ .]" 1
1161 1 77 MET QB 1 78 GLN H . . 2.900 2.638 2.250 3.112 0.212 5 0 "[ . 1 .]" 1
1162 1 77 MET ME 1 77 MET QG . . 3.380 2.362 2.214 2.430 . 0 0 "[ . 1 .]" 1
1163 1 78 GLN HA 1 78 GLN QG . . 3.610 2.938 2.290 3.550 . 0 0 "[ . 1 .]" 1
1164 1 78 GLN HA 1 79 ASP H . . 3.030 2.330 2.156 3.032 0.002 8 0 "[ . 1 .]" 1
1165 1 78 GLN QG 1 79 ASP H . . 5.110 3.789 1.981 4.775 . 0 0 "[ . 1 .]" 1
1166 1 79 ASP H 1 79 ASP QB . . 3.400 2.444 2.152 3.350 . 0 0 "[ . 1 .]" 1
1167 1 79 ASP HA 1 80 GLU H . . 3.210 2.284 2.167 2.716 . 0 0 "[ . 1 .]" 1
1168 1 79 ASP QB 1 80 GLU H . . 4.010 3.468 1.996 4.063 0.053 5 0 "[ . 1 .]" 1
1169 1 80 GLU H 1 80 GLU QG . . 4.180 3.169 2.108 4.194 0.014 8 0 "[ . 1 .]" 1
1170 1 80 GLU QG 1 81 SER H . . 5.090 3.686 2.277 4.882 . 0 0 "[ . 1 .]" 1
1171 1 81 SER H 1 81 SER QB . . 3.690 2.681 2.228 3.321 . 0 0 "[ . 1 .]" 1
1172 1 82 SER H 1 82 SER QB . . 3.800 2.738 2.267 3.333 . 0 0 "[ . 1 .]" 1
1173 1 82 SER HA 1 83 GLN H . . 3.090 2.304 2.096 2.952 . 0 0 "[ . 1 .]" 1
1174 1 84 THR H 1 84 THR MG . . 4.260 3.155 2.233 4.060 . 0 0 "[ . 1 .]" 1
1175 1 84 THR HA 1 84 THR MG . . 2.700 2.327 2.270 2.462 . 0 0 "[ . 1 .]" 1
1176 1 85 SER H 1 86 LEU HG . . 5.500 5.050 3.675 6.151 0.651 6 1 "[ .+ 1 .]" 1
1177 1 85 SER QB 1 86 LEU H . . 4.160 3.233 2.279 4.050 . 0 0 "[ . 1 .]" 1
1178 1 86 LEU H 1 86 LEU QB . . 3.700 2.710 2.321 3.265 . 0 0 "[ . 1 .]" 1
1179 1 86 LEU H 1 86 LEU QD . . 4.120 2.798 1.882 3.672 . 0 0 "[ . 1 .]" 1
1180 1 86 LEU H 1 86 LEU HG . . 3.970 2.976 2.316 3.703 . 0 0 "[ . 1 .]" 1
1181 1 86 LEU HA 1 86 LEU MD1 . . 4.680 3.618 2.866 4.125 . 0 0 "[ . 1 .]" 1
1182 1 86 LEU HA 1 86 LEU QD . . 4.030 2.953 2.129 3.458 . 0 0 "[ . 1 .]" 1
1183 1 86 LEU HA 1 86 LEU MD2 . . 4.680 3.410 2.139 4.123 . 0 0 "[ . 1 .]" 1
1184 1 86 LEU HA 1 86 LEU HG . . 3.780 3.148 2.366 3.815 0.035 15 0 "[ . 1 .]" 1
1185 1 87 GLN H 1 87 GLN QB . . 3.180 2.608 2.196 3.304 0.124 1 0 "[ . 1 .]" 1
1186 1 87 GLN HA 1 88 LYS QB . . 5.220 4.437 3.707 5.236 0.016 5 0 "[ . 1 .]" 1
1187 1 87 GLN QB 1 88 LYS H . . 3.960 2.737 2.176 3.851 . 0 0 "[ . 1 .]" 1
1188 1 87 GLN QB 1 88 LYS HA . . 4.190 4.315 3.947 4.661 0.471 12 0 "[ . 1 .]" 1
1189 1 87 GLN QG 1 88 LYS H . . 4.260 3.740 2.226 4.412 0.152 5 0 "[ . 1 .]" 1
1190 1 88 LYS H 1 88 LYS QB . . 3.230 2.713 2.201 3.321 0.091 9 0 "[ . 1 .]" 1
1191 1 88 LYS H 1 88 LYS QG . . 4.790 3.164 2.089 4.422 . 0 0 "[ . 1 .]" 1
1192 1 88 LYS HA 1 89 GLU H . . 3.130 2.458 2.108 3.319 0.189 10 0 "[ . 1 .]" 1
1193 1 88 LYS QB 1 89 GLU H . . 3.480 2.869 2.115 3.864 0.384 10 0 "[ . 1 .]" 1
1194 1 88 LYS QB 1 89 GLU HA . . 4.640 4.462 3.913 5.063 0.423 11 0 "[ . 1 .]" 1
1195 1 88 LYS QD 1 89 GLU H . . 4.700 3.323 2.488 4.981 0.281 10 0 "[ . 1 .]" 1
1196 1 88 LYS QD 1 89 GLU QG . . 5.030 4.566 2.606 5.711 0.681 8 1 "[ . + 1 .]" 1
1197 1 88 LYS QG 1 89 GLU H . . 4.800 3.750 2.152 4.597 . 0 0 "[ . 1 .]" 1
1198 1 89 GLU HA 1 90 ILE H . . 3.320 2.395 2.162 3.011 . 0 0 "[ . 1 .]" 1
1199 1 90 ILE H 1 90 ILE QG . . 5.000 3.314 2.113 4.279 . 0 0 "[ . 1 .]" 1
1200 1 90 ILE H 1 90 ILE MG . . 4.080 3.110 1.908 3.960 . 0 0 "[ . 1 .]" 1
1201 1 90 ILE HA 1 91 SER H . . 3.250 2.434 2.114 3.543 0.293 7 0 "[ . 1 .]" 1
1202 1 90 ILE HB 1 91 SER H . . 4.460 4.119 2.878 4.492 0.032 3 0 "[ . 1 .]" 1
1203 1 90 ILE QG 1 91 SER H . . 4.460 3.767 2.202 4.868 0.408 9 0 "[ . 1 .]" 1
1204 1 90 ILE HG12 1 91 SER H . . 5.290 4.269 2.623 5.245 . 0 0 "[ . 1 .]" 1
1205 1 90 ILE HG13 1 91 SER H . . 5.290 4.307 2.308 5.769 0.479 9 0 "[ . 1 .]" 1
1206 1 90 ILE MG 1 91 SER H . . 4.090 3.293 2.328 4.139 0.049 6 0 "[ . 1 .]" 1
1207 1 90 ILE MG 1 91 SER HA . . 4.000 4.088 3.539 4.623 0.623 6 2 "[ .+ 1- .]" 1
1208 1 90 ILE MG 1 91 SER HB2 . . 5.500 5.096 3.905 5.954 0.454 6 0 "[ . 1 .]" 1
1209 1 90 ILE MG 1 91 SER HB3 . . 5.500 5.268 3.363 5.988 0.488 10 0 "[ . 1 .]" 1
1210 1 91 SER HA 1 92 THR HA . . 5.370 4.626 4.332 4.859 . 0 0 "[ . 1 .]" 1
1211 1 92 THR H 1 92 THR HB . . 3.780 2.954 2.395 3.646 . 0 0 "[ . 1 .]" 1
1212 1 92 THR HA 1 95 GLN QB . . 3.430 3.195 2.510 3.822 0.392 9 0 "[ . 1 .]" 1
1213 1 92 THR HA 1 95 GLN QG . . 2.920 2.634 2.127 3.699 0.779 13 1 "[ . 1 + .]" 1
1214 1 92 THR HB 1 93 GLU H . . 4.000 3.850 2.843 4.191 0.191 13 0 "[ . 1 .]" 1
1215 1 92 THR HB 1 95 GLN QG . . 5.340 4.529 3.072 5.615 0.275 2 0 "[ . 1 .]" 1
1216 1 93 GLU H 1 93 GLU QB . . 3.200 2.356 2.144 2.565 . 0 0 "[ . 1 .]" 1
1217 1 93 GLU H 1 93 GLU QG . . 4.150 2.903 2.096 4.048 . 0 0 "[ . 1 .]" 1
1218 1 93 GLU HA 1 93 GLU QG . . 3.350 2.736 2.329 3.444 0.094 12 0 "[ . 1 .]" 1
1219 1 93 GLU QB 1 94 GLU H . . 3.550 2.881 2.552 3.711 0.161 12 0 "[ . 1 .]" 1
1220 1 93 GLU QG 1 94 GLU H . . 4.640 3.920 2.450 4.685 0.045 2 0 "[ . 1 .]" 1
1221 1 94 GLU H 1 94 GLU QG . . 4.860 3.429 2.280 4.073 . 0 0 "[ . 1 .]" 1
1222 1 94 GLU H 1 95 GLN QG . . 5.340 4.301 3.885 5.571 0.231 13 0 "[ . 1 .]" 1
1223 1 94 GLU HA 1 95 GLN H . . 3.490 3.549 3.486 3.626 0.136 8 0 "[ . 1 .]" 1
1224 1 94 GLU QB 1 95 GLN H . . 3.700 2.814 2.425 3.097 . 0 0 "[ . 1 .]" 1
1225 1 95 GLN H 1 95 GLN QB . . 3.210 2.479 2.229 2.601 . 0 0 "[ . 1 .]" 1
1226 1 95 GLN H 1 95 GLN HG2 . . 4.250 2.816 2.157 4.034 . 0 0 "[ . 1 .]" 1
1227 1 95 GLN H 1 95 GLN QG . . 3.420 2.419 2.142 3.525 0.105 13 0 "[ . 1 .]" 1
1228 1 95 GLN H 1 95 GLN HG3 . . 4.250 3.282 2.264 3.888 . 0 0 "[ . 1 .]" 1
1229 1 95 GLN HA 1 95 GLN QG . . 3.670 2.889 2.368 3.511 . 0 0 "[ . 1 .]" 1
1230 1 95 GLN QB 1 96 LEU H . . 3.550 2.963 2.463 3.789 0.239 3 0 "[ . 1 .]" 1
1231 1 95 GLN QB 1 96 LEU QD . . 4.400 3.579 2.707 4.591 0.191 9 0 "[ . 1 .]" 1
1232 1 96 LEU H 1 96 LEU QB . . 3.550 2.296 2.091 2.592 . 0 0 "[ . 1 .]" 1
1233 1 96 LEU H 1 96 LEU MD1 . . 4.550 3.417 2.250 4.325 . 0 0 "[ . 1 .]" 1
1234 1 96 LEU H 1 96 LEU QD . . 3.920 2.752 2.153 3.603 . 0 0 "[ . 1 .]" 1
1235 1 96 LEU H 1 96 LEU MD2 . . 4.550 3.408 2.166 4.398 . 0 0 "[ . 1 .]" 1
1236 1 96 LEU H 1 96 LEU HG . . 4.380 3.611 2.178 4.529 0.149 12 0 "[ . 1 .]" 1
1237 1 96 LEU HA 1 96 LEU MD1 . . 4.000 2.812 2.144 3.884 . 0 0 "[ . 1 .]" 1
1238 1 96 LEU HA 1 96 LEU MD2 . . 4.000 2.921 2.127 3.848 . 0 0 "[ . 1 .]" 1
1239 1 96 LEU QB 1 97 ARG H . . 4.040 2.798 2.442 3.089 . 0 0 "[ . 1 .]" 1
1240 1 96 LEU QD 1 97 ARG H . . 4.210 4.092 3.763 4.257 0.047 14 0 "[ . 1 .]" 1
1241 1 96 LEU MD1 1 97 ARG H . . 4.880 4.624 3.948 4.943 0.063 15 0 "[ . 1 .]" 1
1242 1 96 LEU MD2 1 97 ARG H . . 4.880 4.659 4.193 5.125 0.245 11 0 "[ . 1 .]" 1
1243 1 96 LEU HG 1 97 ARG H . . 5.330 4.944 4.225 5.509 0.179 1 0 "[ . 1 .]" 1
1244 1 97 ARG H 1 97 ARG QB . . 3.000 2.317 2.180 2.616 . 0 0 "[ . 1 .]" 1
1245 1 97 ARG H 1 97 ARG QG . . 4.070 3.345 2.242 4.112 0.042 12 0 "[ . 1 .]" 1
1246 1 97 ARG QB 1 98 ARG H . . 3.960 2.957 2.281 3.725 . 0 0 "[ . 1 .]" 1
1247 1 98 ARG H 1 98 ARG QB . . 3.080 2.270 2.119 2.500 . 0 0 "[ . 1 .]" 1
1248 1 98 ARG HA 1 98 ARG QG . . 3.810 2.447 2.266 2.921 . 0 0 "[ . 1 .]" 1
1249 1 98 ARG QB 1 99 LEU H . . 3.290 2.794 2.381 3.120 . 0 0 "[ . 1 .]" 1
1250 1 99 LEU HA 1 99 LEU HG . . 4.130 3.274 2.400 3.776 . 0 0 "[ . 1 .]" 1
1251 1 99 LEU QB 1 100 GLN H . . 3.660 2.600 2.293 3.593 . 0 0 "[ . 1 .]" 1
1252 1 99 LEU HB2 1 100 GLN H . . 4.250 3.218 2.365 3.910 . 0 0 "[ . 1 .]" 1
1253 1 99 LEU HB3 1 100 GLN H . . 4.250 3.062 2.384 4.190 . 0 0 "[ . 1 .]" 1
1254 1 99 LEU QD 1 100 GLN H . . 3.950 3.744 2.495 4.330 0.380 15 0 "[ . 1 .]" 1
1255 1 99 LEU MD1 1 100 GLN H . . 4.700 4.063 2.512 4.818 0.118 15 0 "[ . 1 .]" 1
1256 1 99 LEU MD2 1 100 GLN H . . 4.700 4.579 4.015 4.906 0.206 15 0 "[ . 1 .]" 1
1257 1 99 LEU HG 1 100 GLN H . . 5.500 4.527 2.691 5.132 . 0 0 "[ . 1 .]" 1
1258 1 100 GLN H 1 100 GLN QB . . 3.230 2.452 2.162 3.286 0.056 13 0 "[ . 1 .]" 1
1259 1 100 GLN H 1 100 GLN QG . . 4.070 3.370 2.090 4.149 0.079 8 0 "[ . 1 .]" 1
1260 1 100 GLN HA 1 101 GLU H . . 3.330 2.332 2.153 2.967 . 0 0 "[ . 1 .]" 1
1261 1 100 GLN QB 1 101 GLU H . . 4.040 3.771 2.533 4.078 0.038 10 0 "[ . 1 .]" 1
1262 1 101 GLU H 1 101 GLU QG . . 4.560 3.449 2.095 4.251 . 0 0 "[ . 1 .]" 1
1263 1 102 GLU H 1 102 GLU QG . . 3.950 3.601 2.317 4.055 0.105 1 0 "[ . 1 .]" 1
1264 1 103 LYS HA 1 104 LEU H . . 3.520 2.445 2.097 3.511 . 0 0 "[ . 1 .]" 1
1265 1 103 LYS QG 1 104 LEU H . . 4.020 3.324 2.461 4.195 0.175 3 0 "[ . 1 .]" 1
1266 1 104 LEU H 1 104 LEU QB . . 3.800 2.402 2.176 2.909 . 0 0 "[ . 1 .]" 1
1267 1 104 LEU HA 1 104 LEU MD1 . . 4.530 3.031 2.137 3.877 . 0 0 "[ . 1 .]" 1
1268 1 104 LEU HA 1 104 LEU QD . . 3.930 2.569 2.046 3.458 . 0 0 "[ . 1 .]" 1
1269 1 104 LEU HA 1 104 LEU MD2 . . 4.530 3.278 2.144 4.091 . 0 0 "[ . 1 .]" 1
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