NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562458 |
2lsu   |
18445 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lsu
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 1648
_Distance_constraint_stats_list.Viol_count 4483
_Distance_constraint_stats_list.Viol_total 7289.797
_Distance_constraint_stats_list.Viol_max 1.627
_Distance_constraint_stats_list.Viol_rms 0.0595
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.0813
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PHE 4.639 0.131 14 0 "[ . 1 . 2]"
1 4 GLU 1.843 0.131 14 0 "[ . 1 . 2]"
1 5 LYS 4.885 0.168 5 0 "[ . 1 . 2]"
1 6 GLN 2.942 0.113 12 0 "[ . 1 . 2]"
1 7 LYS 14.231 0.542 20 2 "[ . 1 -. +]"
1 8 GLU 5.295 0.188 6 0 "[ . 1 . 2]"
1 9 GLN 0.842 0.080 19 0 "[ . 1 . 2]"
1 10 GLY 2.490 0.106 5 0 "[ . 1 . 2]"
1 11 ASN 7.055 0.562 19 2 "[ . 1 - . +2]"
1 12 SER 5.730 0.224 19 0 "[ . 1 . 2]"
1 13 LEU 9.157 0.594 1 8 "[+ ** **1* - * 2]"
1 14 PHE 8.646 0.170 19 0 "[ . 1 . 2]"
1 15 LYS 6.975 0.562 19 2 "[ . 1 - . +2]"
1 16 GLN 3.259 0.397 19 0 "[ . 1 . 2]"
1 17 GLY 0.855 0.055 15 0 "[ . 1 . 2]"
1 18 LEU 2.442 0.397 19 0 "[ . 1 . 2]"
1 19 TYR 6.533 0.188 17 0 "[ . 1 . 2]"
1 20 ARG 3.089 0.198 15 0 "[ . 1 . 2]"
1 21 GLU 4.992 0.248 14 0 "[ . 1 . 2]"
1 22 ALA 4.065 0.167 20 0 "[ . 1 . 2]"
1 23 VAL 16.667 0.549 18 2 "[ . - 1 . + 2]"
1 24 HIS 12.474 0.348 17 0 "[ . 1 . 2]"
1 25 CYS 6.452 0.250 17 0 "[ . 1 . 2]"
1 26 TYR 17.241 0.549 18 2 "[ . - 1 . + 2]"
1 27 ASP 5.033 0.153 2 0 "[ . 1 . 2]"
1 28 GLN 18.036 0.542 20 2 "[ . 1 -. +]"
1 29 LEU 6.030 0.475 14 0 "[ . 1 . 2]"
1 30 ILE 14.037 0.174 14 0 "[ . 1 . 2]"
1 31 THR 4.923 0.174 14 0 "[ . 1 . 2]"
1 32 ALA 4.833 0.677 4 3 "[ +. - * . 2]"
1 33 GLN 7.833 0.941 8 7 "[ **. *+** .* 2]"
1 34 PRO 1.349 0.088 12 0 "[ . 1 . 2]"
1 35 GLN 6.655 0.941 8 5 "[ - . *+*1 .* 2]"
1 36 ASN 1.019 0.070 7 0 "[ . 1 . 2]"
1 37 PRO 8.239 0.166 14 0 "[ . 1 . 2]"
1 38 VAL 1.538 0.074 11 0 "[ . 1 . 2]"
1 39 GLY 3.557 0.148 8 0 "[ . 1 . 2]"
1 40 TYR 8.325 0.496 13 0 "[ . 1 . 2]"
1 41 SER 4.053 0.261 16 0 "[ . 1 . 2]"
1 42 ASN 1.466 0.079 10 0 "[ . 1 . 2]"
1 43 LYS 7.216 0.199 19 0 "[ . 1 . 2]"
1 44 ALA 3.191 0.199 19 0 "[ . 1 . 2]"
1 45 MET 4.037 0.116 17 0 "[ . 1 . 2]"
1 46 ALA 2.523 0.089 20 0 "[ . 1 . 2]"
1 47 LEU 4.925 0.395 4 0 "[ . 1 . 2]"
1 48 ILE 11.330 0.273 20 0 "[ . 1 . 2]"
1 49 LYS 11.649 0.198 15 0 "[ . 1 . 2]"
1 50 LEU 3.711 0.188 17 0 "[ . 1 . 2]"
1 51 GLY 0.123 0.071 10 0 "[ . 1 . 2]"
1 52 GLU 2.209 0.185 12 0 "[ . 1 . 2]"
1 53 TYR 2.711 0.108 8 0 "[ . 1 . 2]"
1 54 THR 3.020 0.108 8 0 "[ . 1 . 2]"
1 55 GLN 7.305 0.309 7 0 "[ . 1 . 2]"
1 56 ALA 1.193 0.064 18 0 "[ . 1 . 2]"
1 57 ILE 10.862 0.217 3 0 "[ . 1 . 2]"
1 58 GLN 7.717 0.628 19 3 "[ . -1 * +2]"
1 59 MET 12.325 0.496 13 0 "[ . 1 . 2]"
1 60 CYS 6.925 0.217 3 0 "[ . 1 . 2]"
1 61 GLN 6.414 0.628 19 3 "[ . -1 * +2]"
1 62 GLN 3.501 0.522 10 2 "[ . + . - 2]"
1 63 GLY 0.256 0.068 19 0 "[ . 1 . 2]"
1 64 LEU 5.642 0.334 13 0 "[ . 1 . 2]"
1 65 ARG 2.115 0.103 11 0 "[ . 1 . 2]"
1 66 TYR 9.197 0.166 14 0 "[ . 1 . 2]"
1 67 THR 2.763 0.122 14 0 "[ . 1 . 2]"
1 68 SER 0.562 0.082 3 0 "[ . 1 . 2]"
1 69 THR 1.604 0.094 17 0 "[ . 1 . 2]"
1 70 ALA 5.337 0.941 9 3 "[ * . +1 . - 2]"
1 71 GLU 2.976 0.106 14 0 "[ . 1 . 2]"
1 72 HIS 3.909 0.094 17 0 "[ . 1 . 2]"
1 73 VAL 8.225 0.941 9 3 "[ * . +1 . - 2]"
1 74 ALA 3.983 0.171 16 0 "[ . 1 . 2]"
1 75 ILE 4.221 0.499 18 0 "[ . 1 . 2]"
1 76 ARG 2.571 0.122 14 0 "[ . 1 . 2]"
1 77 SER 4.423 0.121 2 0 "[ . 1 . 2]"
1 78 LYS 7.751 0.499 18 0 "[ . 1 . 2]"
1 79 LEU 5.642 0.334 13 0 "[ . 1 . 2]"
1 80 GLN 5.725 0.212 14 0 "[ . 1 . 2]"
1 81 TYR 7.490 0.297 6 0 "[ . 1 . 2]"
1 82 ARG 1.101 0.143 17 0 "[ . 1 . 2]"
1 83 LEU 6.100 0.133 6 0 "[ . 1 . 2]"
1 84 GLU 4.903 0.297 6 0 "[ . 1 . 2]"
1 85 LEU 0.986 0.173 6 0 "[ . 1 . 2]"
1 86 ALA 2.246 0.130 17 0 "[ . 1 . 2]"
1 87 GLN 2.525 0.090 4 0 "[ . 1 . 2]"
1 88 GLY 0.401 0.056 7 0 "[ . 1 . 2]"
1 89 ALA 0.272 0.031 16 0 "[ . 1 . 2]"
1 90 VAL 2.957 0.141 11 0 "[ . 1 . 2]"
1 91 GLY 2.360 0.141 11 0 "[ . 1 . 2]"
1 92 SER 1.485 0.108 18 0 "[ . 1 . 2]"
1 93 VAL 56.642 1.627 8 15 "[ ******+*** -.****2]"
1 94 GLN 6.722 0.514 14 1 "[ . 1 +. 2]"
1 95 ILE 1.344 1.122 7 1 "[ . + 1 . 2]"
1 96 PRO 49.104 1.627 8 14 "[ ***** +*** *.***-2]"
1 97 VAL 1.434 0.074 20 0 "[ . 1 . 2]"
1 98 VAL 0.519 0.080 5 0 "[ . 1 . 2]"
1 99 GLU 2.766 0.386 20 0 "[ . 1 . 2]"
1 100 VAL 6.502 1.365 20 3 "[ . * - . +]"
1 101 ASP 3.475 0.173 20 0 "[ . 1 . 2]"
1 102 GLU 7.360 1.365 20 3 "[ . * - . +]"
1 103 LEU 21.465 0.709 11 11 "[* ***- 1+ * * * **]"
1 104 PRO 10.655 0.709 11 11 "[* ***- 1+ * * * **]"
1 105 GLU 1.446 0.115 20 0 "[ . 1 . 2]"
1 106 GLY 0.184 0.113 20 0 "[ . 1 . 2]"
1 107 TYR 6.507 0.594 11 1 "[ . 1+ . 2]"
1 108 ASP 2.986 0.166 3 0 "[ . 1 . 2]"
1 109 ARG 4.485 0.243 2 0 "[ . 1 . 2]"
1 110 SER 0.059 0.036 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 PHE H 1 3 PHE HB2 . . 4.200 2.635 2.283 3.408 . 0 0 "[ . 1 . 2]" 1
2 1 3 PHE H 1 3 PHE HB3 . . 4.200 2.533 2.335 2.873 . 0 0 "[ . 1 . 2]" 1
3 1 3 PHE H 1 3 PHE QD . . 4.660 4.179 4.131 4.325 . 0 0 "[ . 1 . 2]" 1
4 1 3 PHE HA 1 3 PHE QD . . 3.290 3.237 3.175 3.292 0.002 7 0 "[ . 1 . 2]" 1
5 1 3 PHE HA 1 29 LEU QD . . 4.000 2.525 2.067 2.955 . 0 0 "[ . 1 . 2]" 1
6 1 3 PHE HB2 1 4 GLU H . . 3.780 3.841 3.802 3.911 0.131 14 0 "[ . 1 . 2]" 1
7 1 3 PHE HB2 1 29 LEU QD . . 5.220 3.577 3.257 3.912 . 0 0 "[ . 1 . 2]" 1
8 1 3 PHE HB3 1 4 GLU H . . 3.860 2.513 2.385 2.814 . 0 0 "[ . 1 . 2]" 1
9 1 3 PHE HB3 1 29 LEU QD . . 5.500 3.984 3.856 4.184 . 0 0 "[ . 1 . 2]" 1
10 1 3 PHE HB3 1 32 ALA MB . . 5.320 5.382 5.351 5.420 0.100 3 0 "[ . 1 . 2]" 1
11 1 3 PHE QD 1 4 GLU H . . 4.070 3.131 2.846 3.727 . 0 0 "[ . 1 . 2]" 1
12 1 3 PHE QD 1 4 GLU HA . . 4.680 2.739 2.508 3.274 . 0 0 "[ . 1 . 2]" 1
13 1 3 PHE QD 1 4 GLU HB3 . . 5.030 4.383 4.188 4.750 . 0 0 "[ . 1 . 2]" 1
14 1 3 PHE QD 1 4 GLU QG . . 4.240 2.234 2.081 2.365 . 0 0 "[ . 1 . 2]" 1
15 1 3 PHE QD 1 7 LYS HE2 . . 5.360 4.078 3.445 4.522 . 0 0 "[ . 1 . 2]" 1
16 1 3 PHE QD 1 29 LEU HA . . 4.760 3.398 3.116 3.708 . 0 0 "[ . 1 . 2]" 1
17 1 3 PHE QD 1 29 LEU QD . . 4.120 2.678 2.598 2.797 . 0 0 "[ . 1 . 2]" 1
18 1 3 PHE QD 1 32 ALA MB . . 3.830 2.972 2.759 3.179 . 0 0 "[ . 1 . 2]" 1
19 1 3 PHE QD 1 33 GLN QB . . 4.620 3.526 2.127 4.183 . 0 0 "[ . 1 . 2]" 1
20 1 3 PHE QD 1 33 GLN HG2 . . 3.710 2.256 2.027 2.730 . 0 0 "[ . 1 . 2]" 1
21 1 3 PHE QD 1 38 VAL QG . . 4.340 3.921 3.740 4.347 0.007 12 0 "[ . 1 . 2]" 1
22 1 3 PHE QE 1 4 GLU QG . . 5.500 3.538 3.217 3.935 . 0 0 "[ . 1 . 2]" 1
23 1 3 PHE QE 1 7 LYS HD2 . . 4.870 3.684 3.486 3.830 . 0 0 "[ . 1 . 2]" 1
24 1 3 PHE QE 1 7 LYS HD3 . . 5.040 2.634 2.567 2.729 . 0 0 "[ . 1 . 2]" 1
25 1 3 PHE QE 1 7 LYS HE2 . . 5.240 3.841 3.408 4.314 . 0 0 "[ . 1 . 2]" 1
26 1 3 PHE QE 1 7 LYS HG2 . . 5.500 5.559 5.528 5.598 0.098 5 0 "[ . 1 . 2]" 1
27 1 3 PHE QE 1 29 LEU HA . . 3.510 3.094 2.665 3.368 . 0 0 "[ . 1 . 2]" 1
28 1 3 PHE QE 1 29 LEU HB2 . . 4.280 4.116 3.977 4.285 0.005 14 0 "[ . 1 . 2]" 1
29 1 3 PHE QE 1 29 LEU HB3 . . 4.270 2.568 2.371 2.916 . 0 0 "[ . 1 . 2]" 1
30 1 3 PHE QE 1 29 LEU QD . . 4.150 2.741 2.300 3.188 . 0 0 "[ . 1 . 2]" 1
31 1 3 PHE QE 1 33 GLN HA . . 5.030 4.954 4.613 5.125 0.095 10 0 "[ . 1 . 2]" 1
32 1 3 PHE QE 1 33 GLN QB . . 4.870 3.440 2.140 4.104 . 0 0 "[ . 1 . 2]" 1
33 1 3 PHE QE 1 33 GLN HG2 . . 4.220 3.023 2.232 4.245 0.025 12 0 "[ . 1 . 2]" 1
34 1 3 PHE QE 1 33 GLN HG3 . . 4.780 2.978 2.204 4.360 . 0 0 "[ . 1 . 2]" 1
35 1 3 PHE QE 1 36 ASN HB2 . . 5.120 3.389 3.140 3.759 . 0 0 "[ . 1 . 2]" 1
36 1 3 PHE QE 1 36 ASN HB3 . . 4.860 4.310 3.893 4.881 0.021 3 0 "[ . 1 . 2]" 1
37 1 3 PHE QE 1 38 VAL QG . . 3.900 2.215 2.013 2.738 . 0 0 "[ . 1 . 2]" 1
38 1 3 PHE QE 1 39 GLY HA2 . . 4.850 4.605 4.221 4.843 . 0 0 "[ . 1 . 2]" 1
39 1 3 PHE QE 1 39 GLY HA3 . . 5.190 4.442 4.156 4.650 . 0 0 "[ . 1 . 2]" 1
40 1 3 PHE HZ 1 29 LEU HB2 . . 4.770 4.058 3.789 4.250 . 0 0 "[ . 1 . 2]" 1
41 1 3 PHE HZ 1 36 ASN HB3 . . 5.110 3.574 2.975 4.370 . 0 0 "[ . 1 . 2]" 1
42 1 3 PHE HZ 1 38 VAL QG . . 3.960 2.635 2.187 3.531 . 0 0 "[ . 1 . 2]" 1
43 1 3 PHE HZ 1 39 GLY HA3 . . 3.680 3.634 3.338 3.733 0.053 15 0 "[ . 1 . 2]" 1
44 1 4 GLU H 1 4 GLU HB2 . . 4.010 2.417 2.392 2.457 . 0 0 "[ . 1 . 2]" 1
45 1 4 GLU H 1 4 GLU HB3 . . 3.610 3.615 3.585 3.662 0.052 18 0 "[ . 1 . 2]" 1
46 1 4 GLU H 1 4 GLU QG . . 3.440 2.394 2.225 2.682 . 0 0 "[ . 1 . 2]" 1
47 1 4 GLU HA 1 4 GLU QG . . 3.470 2.338 2.287 2.388 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLU HA 1 7 LYS HB2 . . 4.320 3.778 3.399 4.264 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLU HA 1 7 LYS HE2 . . 4.420 2.902 2.193 3.856 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLU HA 1 7 LYS HE3 . . 4.470 3.573 2.699 4.415 . 0 0 "[ . 1 . 2]" 1
51 1 4 GLU HA 1 29 LEU QD . . 5.190 3.922 3.496 4.418 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLU QG 1 7 LYS HD2 . . 5.310 5.307 5.029 5.362 0.052 20 0 "[ . 1 . 2]" 1
53 1 5 LYS H 1 5 LYS HB2 . . 3.470 2.473 2.230 2.931 . 0 0 "[ . 1 . 2]" 1
54 1 5 LYS H 1 5 LYS HB3 . . 3.470 2.933 2.481 3.638 0.168 5 0 "[ . 1 . 2]" 1
55 1 5 LYS H 1 5 LYS QD . . 4.330 3.781 2.218 4.427 0.097 18 0 "[ . 1 . 2]" 1
56 1 5 LYS H 1 5 LYS HG2 . . 4.590 4.187 2.427 4.740 0.150 14 0 "[ . 1 . 2]" 1
57 1 5 LYS H 1 5 LYS HG3 . . 4.440 4.297 3.782 4.527 0.087 18 0 "[ . 1 . 2]" 1
58 1 5 LYS H 1 6 GLN H . . 3.360 2.541 1.987 2.875 . 0 0 "[ . 1 . 2]" 1
59 1 5 LYS HA 1 5 LYS HB3 . . 2.880 2.836 2.503 3.011 0.131 1 0 "[ . 1 . 2]" 1
60 1 5 LYS HA 1 5 LYS QD . . 3.590 2.756 1.904 3.729 0.139 17 0 "[ . 1 . 2]" 1
61 1 5 LYS HA 1 5 LYS QE . . 4.460 4.166 3.903 4.447 . 0 0 "[ . 1 . 2]" 1
62 1 5 LYS HA 1 5 LYS HG2 . . 3.670 3.387 2.700 3.718 0.048 2 0 "[ . 1 . 2]" 1
63 1 5 LYS HA 1 9 GLN HG3 . . 3.600 3.581 3.323 3.680 0.080 19 0 "[ . 1 . 2]" 1
64 1 5 LYS HB2 1 6 GLN H . . 3.880 3.339 2.367 3.943 0.063 12 0 "[ . 1 . 2]" 1
65 1 5 LYS HB3 1 5 LYS QE . . 4.910 4.157 3.942 4.524 . 0 0 "[ . 1 . 2]" 1
66 1 5 LYS HB3 1 6 GLN H . . 3.960 2.812 2.317 3.700 . 0 0 "[ . 1 . 2]" 1
67 1 5 LYS QE 1 5 LYS HG2 . . 3.660 2.461 2.293 2.899 . 0 0 "[ . 1 . 2]" 1
68 1 5 LYS HG2 1 6 GLN H . . 4.810 4.364 3.533 4.855 0.045 6 0 "[ . 1 . 2]" 1
69 1 5 LYS HG3 1 9 GLN QG . . 5.350 4.075 2.753 5.426 0.076 15 0 "[ . 1 . 2]" 1
70 1 6 GLN H 1 6 GLN HB2 . . 3.260 2.047 2.021 2.101 . 0 0 "[ . 1 . 2]" 1
71 1 6 GLN H 1 6 GLN HB3 . . 4.010 3.027 2.975 3.102 . 0 0 "[ . 1 . 2]" 1
72 1 6 GLN H 1 6 GLN HE21 . . 5.400 5.256 4.829 5.370 . 0 0 "[ . 1 . 2]" 1
73 1 6 GLN H 1 6 GLN QG . . 3.540 3.608 3.571 3.653 0.113 12 0 "[ . 1 . 2]" 1
74 1 6 GLN H 1 29 LEU QD . . 4.670 4.356 4.118 4.480 . 0 0 "[ . 1 . 2]" 1
75 1 6 GLN HA 1 6 GLN HE21 . . 4.250 3.973 2.544 4.132 . 0 0 "[ . 1 . 2]" 1
76 1 6 GLN HA 1 6 GLN QG . . 3.590 2.359 2.094 2.420 . 0 0 "[ . 1 . 2]" 1
77 1 6 GLN HB2 1 6 GLN HE21 . . 4.740 3.813 3.721 4.004 . 0 0 "[ . 1 . 2]" 1
78 1 6 GLN HB2 1 29 LEU QD . . 4.170 4.180 4.009 4.229 0.059 20 0 "[ . 1 . 2]" 1
79 1 6 GLN HB3 1 29 LEU QD . . 4.200 3.490 3.340 3.606 . 0 0 "[ . 1 . 2]" 1
80 1 6 GLN HE21 1 7 LYS H . . 4.890 4.780 4.392 4.911 0.021 15 0 "[ . 1 . 2]" 1
81 1 6 GLN HE21 1 28 GLN HE22 . . 4.570 3.218 3.016 4.225 . 0 0 "[ . 1 . 2]" 1
82 1 6 GLN HE22 1 7 LYS HA . . 4.580 4.616 4.591 4.637 0.057 20 0 "[ . 1 . 2]" 1
83 1 6 GLN HE22 1 25 CYS HB3 . . 4.840 3.204 2.509 4.004 . 0 0 "[ . 1 . 2]" 1
84 1 6 GLN QG 1 29 LEU QD . . 4.710 4.701 4.635 4.736 0.026 12 0 "[ . 1 . 2]" 1
85 1 7 LYS H 1 7 LYS HB2 . . 3.720 2.402 2.320 2.562 . 0 0 "[ . 1 . 2]" 1
86 1 7 LYS H 1 7 LYS HG2 . . 4.560 4.408 4.372 4.441 . 0 0 "[ . 1 . 2]" 1
87 1 7 LYS H 1 7 LYS HG3 . . 4.650 4.445 4.408 4.549 . 0 0 "[ . 1 . 2]" 1
88 1 7 LYS H 1 29 LEU QD . . 4.110 3.294 3.119 3.611 . 0 0 "[ . 1 . 2]" 1
89 1 7 LYS HA 1 7 LYS HD2 . . 4.870 4.912 4.867 4.937 0.067 9 0 "[ . 1 . 2]" 1
90 1 7 LYS HA 1 7 LYS HD3 . . 4.840 4.561 4.508 4.641 . 0 0 "[ . 1 . 2]" 1
91 1 7 LYS HA 1 7 LYS HE3 . . 4.640 4.612 4.433 4.739 0.099 8 0 "[ . 1 . 2]" 1
92 1 7 LYS HA 1 7 LYS HG2 . . 3.960 2.879 2.821 2.942 . 0 0 "[ . 1 . 2]" 1
93 1 7 LYS HA 1 7 LYS HG3 . . 4.060 2.802 2.716 2.870 . 0 0 "[ . 1 . 2]" 1
94 1 7 LYS HA 1 8 GLU QB . . 5.210 5.184 5.015 5.341 0.131 2 0 "[ . 1 . 2]" 1
95 1 7 LYS HA 1 10 GLY H . . 4.840 4.228 3.724 4.814 . 0 0 "[ . 1 . 2]" 1
96 1 7 LYS HA 1 26 TYR QE . . 4.080 3.605 3.168 4.084 0.004 14 0 "[ . 1 . 2]" 1
97 1 7 LYS HA 1 29 LEU QD . . 3.830 3.100 2.511 3.562 . 0 0 "[ . 1 . 2]" 1
98 1 7 LYS HA 1 29 LEU HG . . 5.500 4.945 4.592 5.450 . 0 0 "[ . 1 . 2]" 1
99 1 7 LYS HB2 1 7 LYS HE3 . . 4.980 3.799 3.363 4.161 . 0 0 "[ . 1 . 2]" 1
100 1 7 LYS HB2 1 8 GLU H . . 4.270 3.890 3.621 4.165 . 0 0 "[ . 1 . 2]" 1
101 1 7 LYS HB2 1 8 GLU QB . . 5.500 5.296 5.096 5.561 0.061 11 0 "[ . 1 . 2]" 1
102 1 7 LYS HB2 1 26 TYR HA . . 4.470 3.992 3.659 4.330 . 0 0 "[ . 1 . 2]" 1
103 1 7 LYS HB2 1 26 TYR QD . . 4.960 3.918 3.500 4.397 . 0 0 "[ . 1 . 2]" 1
104 1 7 LYS HB2 1 29 LEU QD . . 4.530 1.889 1.819 1.966 . 0 0 "[ . 1 . 2]" 1
105 1 7 LYS HB3 1 7 LYS HE3 . . 4.510 2.453 1.886 2.984 . 0 0 "[ . 1 . 2]" 1
106 1 7 LYS HB3 1 28 GLN HE21 . . 4.080 4.362 4.241 4.622 0.542 20 2 "[ . 1 -. +]" 1
107 1 7 LYS HB3 1 29 LEU QD . . 4.810 3.070 2.927 3.169 . 0 0 "[ . 1 . 2]" 1
108 1 7 LYS HD2 1 26 TYR HB3 . . 5.500 5.002 4.692 5.514 0.014 11 0 "[ . 1 . 2]" 1
109 1 7 LYS HD2 1 29 LEU QD . . 4.980 3.072 2.454 3.611 . 0 0 "[ . 1 . 2]" 1
110 1 7 LYS HD2 1 38 VAL QG . . 4.240 2.204 2.086 2.352 . 0 0 "[ . 1 . 2]" 1
111 1 7 LYS HD2 1 39 GLY H . . 5.050 5.141 5.080 5.198 0.148 8 0 "[ . 1 . 2]" 1
112 1 7 LYS HD3 1 29 LEU QD . . 5.290 2.481 2.001 3.004 . 0 0 "[ . 1 . 2]" 1
113 1 7 LYS HD3 1 38 VAL QG . . 4.620 2.853 2.707 2.949 . 0 0 "[ . 1 . 2]" 1
114 1 7 LYS HE2 1 8 GLU H . . 4.500 4.287 3.715 4.599 0.099 2 0 "[ . 1 . 2]" 1
115 1 7 LYS HE2 1 8 GLU HA . . 5.150 5.002 4.442 5.188 0.038 13 0 "[ . 1 . 2]" 1
116 1 7 LYS HE2 1 29 LEU QD . . 5.280 4.018 3.659 4.631 . 0 0 "[ . 1 . 2]" 1
117 1 7 LYS HE3 1 8 GLU H . . 4.350 3.682 2.803 4.445 0.095 11 0 "[ . 1 . 2]" 1
118 1 7 LYS HE3 1 8 GLU HA . . 4.600 3.908 3.596 4.243 . 0 0 "[ . 1 . 2]" 1
119 1 7 LYS HE3 1 8 GLU QG . . 5.000 4.299 1.917 5.027 0.027 14 0 "[ . 1 . 2]" 1
120 1 7 LYS HE3 1 29 LEU QD . . 5.500 4.216 3.856 4.551 . 0 0 "[ . 1 . 2]" 1
121 1 7 LYS HE3 1 38 VAL QG . . 4.600 3.701 3.456 3.914 . 0 0 "[ . 1 . 2]" 1
122 1 7 LYS HG2 1 26 TYR HA . . 4.970 4.402 4.212 4.597 . 0 0 "[ . 1 . 2]" 1
123 1 7 LYS HG2 1 26 TYR HB3 . . 4.840 4.893 4.853 4.934 0.094 19 0 "[ . 1 . 2]" 1
124 1 7 LYS HG2 1 26 TYR QD . . 4.720 2.778 2.590 3.035 . 0 0 "[ . 1 . 2]" 1
125 1 7 LYS HG2 1 28 GLN HE22 . . 5.500 4.564 4.426 4.653 . 0 0 "[ . 1 . 2]" 1
126 1 7 LYS HG2 1 29 LEU QD . . 5.410 3.318 3.210 3.401 . 0 0 "[ . 1 . 2]" 1
127 1 7 LYS HG3 1 26 TYR QD . . 5.500 2.318 2.057 2.987 . 0 0 "[ . 1 . 2]" 1
128 1 7 LYS HG3 1 29 LEU QD . . 4.880 1.985 1.909 2.025 . 0 0 "[ . 1 . 2]" 1
129 1 8 GLU H 1 8 GLU QB . . 3.020 2.254 2.070 2.803 . 0 0 "[ . 1 . 2]" 1
130 1 8 GLU H 1 8 GLU QG . . 3.750 3.470 2.178 3.938 0.188 6 0 "[ . 1 . 2]" 1
131 1 8 GLU HA 1 8 GLU QB . . 2.640 2.380 2.158 2.446 . 0 0 "[ . 1 . 2]" 1
132 1 8 GLU HA 1 8 GLU QG . . 3.530 2.590 2.232 3.341 . 0 0 "[ . 1 . 2]" 1
133 1 8 GLU HA 1 11 ASN H . . 3.590 3.130 3.026 3.232 . 0 0 "[ . 1 . 2]" 1
134 1 8 GLU HA 1 11 ASN HB2 . . 4.060 4.096 4.067 4.157 0.097 19 0 "[ . 1 . 2]" 1
135 1 8 GLU HA 1 11 ASN HB3 . . 3.660 2.509 2.468 2.542 . 0 0 "[ . 1 . 2]" 1
136 1 8 GLU HA 1 11 ASN HD21 . . 4.890 3.555 3.290 4.491 . 0 0 "[ . 1 . 2]" 1
137 1 8 GLU QB 1 11 ASN H . . 4.780 4.754 4.368 4.937 0.157 12 0 "[ . 1 . 2]" 1
138 1 8 GLU QB 1 11 ASN HB3 . . 4.830 4.341 3.876 4.567 . 0 0 "[ . 1 . 2]" 1
139 1 9 GLN H 1 9 GLN QB . . 2.870 2.321 2.228 2.543 . 0 0 "[ . 1 . 2]" 1
140 1 9 GLN H 1 9 GLN QG . . 3.520 2.605 2.411 3.188 . 0 0 "[ . 1 . 2]" 1
141 1 9 GLN H 1 10 GLY H . . 3.830 2.623 1.893 2.821 . 0 0 "[ . 1 . 2]" 1
142 1 9 GLN HA 1 9 GLN QB . . 2.800 2.432 2.402 2.453 . 0 0 "[ . 1 . 2]" 1
143 1 9 GLN HA 1 9 GLN HE21 . . 5.500 4.757 4.503 4.944 . 0 0 "[ . 1 . 2]" 1
144 1 9 GLN HA 1 9 GLN HG2 . . 3.760 2.389 2.308 2.453 . 0 0 "[ . 1 . 2]" 1
145 1 9 GLN HA 1 9 GLN QG . . 3.190 2.276 2.231 2.337 . 0 0 "[ . 1 . 2]" 1
146 1 9 GLN HA 1 9 GLN HG3 . . 3.580 2.874 2.727 3.087 . 0 0 "[ . 1 . 2]" 1
147 1 9 GLN HA 1 10 GLY H . . 3.560 3.281 3.178 3.341 . 0 0 "[ . 1 . 2]" 1
148 1 9 GLN QB 1 10 GLY H . . 3.490 3.496 3.450 3.525 0.035 18 0 "[ . 1 . 2]" 1
149 1 9 GLN QB 1 10 GLY HA3 . . 4.730 4.605 4.512 4.720 . 0 0 "[ . 1 . 2]" 1
150 1 10 GLY H 1 11 ASN H . . 3.390 1.957 1.797 2.047 . 0 0 "[ . 1 . 2]" 1
151 1 10 GLY H 1 26 TYR QE . . 4.790 3.914 3.668 4.362 . 0 0 "[ . 1 . 2]" 1
152 1 10 GLY HA2 1 13 LEU HB3 . . 4.910 3.932 2.680 4.204 . 0 0 "[ . 1 . 2]" 1
153 1 10 GLY HA2 1 13 LEU QD . . 5.500 2.196 2.062 3.050 . 0 0 "[ . 1 . 2]" 1
154 1 10 GLY HA2 1 25 CYS HB2 . . 4.540 4.444 3.928 4.618 0.078 15 0 "[ . 1 . 2]" 1
155 1 10 GLY HA2 1 25 CYS HB3 . . 4.340 4.163 3.910 4.401 0.061 17 0 "[ . 1 . 2]" 1
156 1 10 GLY HA3 1 12 SER H . . 4.510 4.527 4.440 4.556 0.046 14 0 "[ . 1 . 2]" 1
157 1 10 GLY HA3 1 13 LEU HB3 . . 4.670 4.675 3.397 4.776 0.106 5 0 "[ . 1 . 2]" 1
158 1 10 GLY HA3 1 13 LEU QD . . 5.500 3.034 2.650 3.636 . 0 0 "[ . 1 . 2]" 1
159 1 10 GLY HA3 1 22 ALA HA . . 4.590 3.863 3.550 4.161 . 0 0 "[ . 1 . 2]" 1
160 1 10 GLY HA3 1 22 ALA MB . . 4.920 4.390 4.000 4.793 . 0 0 "[ . 1 . 2]" 1
161 1 10 GLY HA3 1 25 CYS HB2 . . 4.540 2.956 2.369 3.212 . 0 0 "[ . 1 . 2]" 1
162 1 10 GLY HA3 1 25 CYS HB3 . . 4.460 2.607 2.233 3.271 . 0 0 "[ . 1 . 2]" 1
163 1 10 GLY HA3 1 26 TYR QE . . 5.500 3.984 3.550 4.717 . 0 0 "[ . 1 . 2]" 1
164 1 11 ASN H 1 11 ASN HB2 . . 4.070 3.502 3.460 3.549 . 0 0 "[ . 1 . 2]" 1
165 1 11 ASN H 1 11 ASN HD21 . . 5.270 2.952 2.442 4.624 . 0 0 "[ . 1 . 2]" 1
166 1 11 ASN H 1 11 ASN HD22 . . 4.590 4.208 4.018 4.636 0.046 19 0 "[ . 1 . 2]" 1
167 1 11 ASN H 1 26 TYR QE . . 4.520 3.757 3.379 4.131 . 0 0 "[ . 1 . 2]" 1
168 1 11 ASN HA 1 11 ASN HD22 . . 5.490 5.200 5.120 5.392 . 0 0 "[ . 1 . 2]" 1
169 1 11 ASN HA 1 12 SER HA . . 5.500 4.703 4.625 4.747 . 0 0 "[ . 1 . 2]" 1
170 1 11 ASN HA 1 14 PHE H . . 4.290 3.579 3.430 3.768 . 0 0 "[ . 1 . 2]" 1
171 1 11 ASN HA 1 14 PHE HB2 . . 3.800 3.636 3.346 3.851 0.051 19 0 "[ . 1 . 2]" 1
172 1 11 ASN HA 1 14 PHE HB3 . . 3.850 2.941 2.719 3.340 . 0 0 "[ . 1 . 2]" 1
173 1 11 ASN HA 1 14 PHE QD . . 4.150 3.885 3.615 4.090 . 0 0 "[ . 1 . 2]" 1
174 1 11 ASN HA 1 15 LYS QD . . 5.110 5.123 5.002 5.166 0.056 18 0 "[ . 1 . 2]" 1
175 1 11 ASN HA 1 15 LYS QE . . 5.120 3.809 3.584 4.226 . 0 0 "[ . 1 . 2]" 1
176 1 11 ASN HA 1 22 ALA MB . . 5.040 4.643 4.438 5.046 0.006 19 0 "[ . 1 . 2]" 1
177 1 11 ASN HA 1 26 TYR QE . . 4.930 3.345 3.033 3.609 . 0 0 "[ . 1 . 2]" 1
178 1 11 ASN HB2 1 12 SER H . . 4.170 4.186 4.020 4.239 0.069 6 0 "[ . 1 . 2]" 1
179 1 11 ASN HB2 1 12 SER HA . . 5.120 5.062 4.673 5.170 0.050 2 0 "[ . 1 . 2]" 1
180 1 11 ASN HB3 1 12 SER H . . 4.020 3.782 3.682 4.041 0.021 12 0 "[ . 1 . 2]" 1
181 1 11 ASN HB3 1 12 SER HA . . 5.500 5.595 5.544 5.724 0.224 19 0 "[ . 1 . 2]" 1
182 1 11 ASN HD22 1 12 SER QB . . 4.890 3.521 3.079 4.388 . 0 0 "[ . 1 . 2]" 1
183 1 11 ASN HD22 1 15 LYS QE . . 5.500 5.398 5.052 6.062 0.562 19 2 "[ . 1 - . +2]" 1
184 1 12 SER H 1 12 SER QB . . 3.060 2.497 2.257 2.726 . 0 0 "[ . 1 . 2]" 1
185 1 12 SER H 1 13 LEU H . . 3.410 2.415 2.234 2.512 . 0 0 "[ . 1 . 2]" 1
186 1 12 SER HA 1 12 SER QB . . 2.700 2.280 2.196 2.386 . 0 0 "[ . 1 . 2]" 1
187 1 12 SER HA 1 15 LYS QB . . 3.290 2.731 2.645 2.822 . 0 0 "[ . 1 . 2]" 1
188 1 12 SER HA 1 15 LYS QD . . 3.600 2.602 2.462 2.835 . 0 0 "[ . 1 . 2]" 1
189 1 12 SER HA 1 15 LYS QE . . 4.120 3.868 3.671 4.153 0.033 19 0 "[ . 1 . 2]" 1
190 1 12 SER HA 1 16 GLN H . . 4.700 4.749 4.721 4.774 0.074 14 0 "[ . 1 . 2]" 1
191 1 12 SER HA 1 16 GLN HG2 . . 5.500 5.550 5.519 5.650 0.150 19 0 "[ . 1 . 2]" 1
192 1 12 SER HA 1 16 GLN HG3 . . 5.360 4.465 4.116 4.649 . 0 0 "[ . 1 . 2]" 1
193 1 12 SER QB 1 13 LEU H . . 3.550 3.125 2.642 3.551 0.001 15 0 "[ . 1 . 2]" 1
194 1 12 SER QB 1 13 LEU QD . . 4.630 3.486 2.552 4.463 . 0 0 "[ . 1 . 2]" 1
195 1 13 LEU H 1 13 LEU HB2 . . 3.760 2.250 2.139 2.416 . 0 0 "[ . 1 . 2]" 1
196 1 13 LEU H 1 13 LEU HB3 . . 3.360 3.434 2.691 3.508 0.148 11 0 "[ . 1 . 2]" 1
197 1 13 LEU H 1 13 LEU MD1 . . 3.780 2.792 2.116 3.765 . 0 0 "[ . 1 . 2]" 1
198 1 13 LEU H 1 14 PHE H . . 3.890 2.638 2.587 2.710 . 0 0 "[ . 1 . 2]" 1
199 1 13 LEU HA 1 13 LEU MD1 . . 3.250 2.974 1.998 3.844 0.594 1 8 "[+ ** **1* - * 2]" 1
200 1 13 LEU HA 1 13 LEU QD . . 3.280 2.239 1.991 2.447 . 0 0 "[ . 1 . 2]" 1
201 1 13 LEU HA 1 14 PHE HA . . 4.910 4.861 4.841 4.888 . 0 0 "[ . 1 . 2]" 1
202 1 13 LEU HA 1 15 LYS H . . 4.940 3.710 3.554 3.966 . 0 0 "[ . 1 . 2]" 1
203 1 13 LEU HA 1 16 GLN H . . 3.700 3.126 2.984 3.348 . 0 0 "[ . 1 . 2]" 1
204 1 13 LEU HA 1 16 GLN HB2 . . 3.350 2.692 2.523 2.798 . 0 0 "[ . 1 . 2]" 1
205 1 13 LEU HA 1 16 GLN HB3 . . 4.190 4.177 4.039 4.242 0.052 8 0 "[ . 1 . 2]" 1
206 1 13 LEU HA 1 16 GLN HE21 . . 4.550 2.382 1.976 3.008 . 0 0 "[ . 1 . 2]" 1
207 1 13 LEU HA 1 16 GLN HG2 . . 4.370 4.107 3.879 4.375 0.005 1 0 "[ . 1 . 2]" 1
208 1 13 LEU HA 1 18 LEU QD . . 3.210 2.631 2.422 2.816 . 0 0 "[ . 1 . 2]" 1
209 1 13 LEU HB2 1 22 ALA HA . . 4.720 3.649 3.251 4.766 0.046 19 0 "[ . 1 . 2]" 1
210 1 13 LEU HB3 1 14 PHE H . . 4.060 3.535 2.862 3.740 . 0 0 "[ . 1 . 2]" 1
211 1 13 LEU HB3 1 16 GLN HE21 . . 5.130 4.041 3.846 5.331 0.201 1 0 "[ . 1 . 2]" 1
212 1 13 LEU HB3 1 18 LEU QD . . 4.220 2.519 2.183 3.935 . 0 0 "[ . 1 . 2]" 1
213 1 13 LEU HB3 1 22 ALA HA . . 4.610 3.792 3.170 4.121 . 0 0 "[ . 1 . 2]" 1
214 1 13 LEU QD 1 21 GLU HG3 . . 4.410 3.531 2.963 4.055 . 0 0 "[ . 1 . 2]" 1
215 1 13 LEU QD 1 22 ALA HA . . 4.980 3.683 2.754 3.984 . 0 0 "[ . 1 . 2]" 1
216 1 13 LEU QD 1 22 ALA MB . . 3.830 3.741 3.262 3.848 0.018 3 0 "[ . 1 . 2]" 1
217 1 13 LEU MD1 1 14 PHE H . . 4.610 4.356 4.097 4.780 0.170 19 0 "[ . 1 . 2]" 1
218 1 13 LEU MD1 1 16 GLN HE22 . . 5.110 3.929 2.695 5.009 . 0 0 "[ . 1 . 2]" 1
219 1 14 PHE H 1 14 PHE HB2 . . 3.690 2.599 2.549 2.646 . 0 0 "[ . 1 . 2]" 1
220 1 14 PHE H 1 14 PHE HB3 . . 4.190 2.242 2.177 2.285 . 0 0 "[ . 1 . 2]" 1
221 1 14 PHE H 1 14 PHE QD . . 4.510 4.086 4.037 4.105 . 0 0 "[ . 1 . 2]" 1
222 1 14 PHE H 1 15 LYS H . . 3.750 2.633 2.559 2.660 . 0 0 "[ . 1 . 2]" 1
223 1 14 PHE H 1 15 LYS HA . . 5.260 5.276 5.236 5.290 0.030 12 0 "[ . 1 . 2]" 1
224 1 14 PHE H 1 15 LYS QB . . 4.870 4.650 4.569 4.682 . 0 0 "[ . 1 . 2]" 1
225 1 14 PHE H 1 22 ALA MB . . 3.940 2.879 2.575 3.037 . 0 0 "[ . 1 . 2]" 1
226 1 14 PHE HA 1 14 PHE QD . . 3.600 2.420 2.200 2.596 . 0 0 "[ . 1 . 2]" 1
227 1 14 PHE HA 1 17 GLY H . . 4.470 4.330 4.162 4.512 0.042 19 0 "[ . 1 . 2]" 1
228 1 14 PHE HA 1 18 LEU QD . . 5.500 3.910 3.693 4.151 . 0 0 "[ . 1 . 2]" 1
229 1 14 PHE HA 1 19 TYR HA . . 4.860 3.022 2.808 3.435 . 0 0 "[ . 1 . 2]" 1
230 1 14 PHE HA 1 19 TYR QD . . 3.920 2.624 2.448 2.862 . 0 0 "[ . 1 . 2]" 1
231 1 14 PHE HA 1 19 TYR QE . . 4.330 4.135 3.845 4.359 0.029 19 0 "[ . 1 . 2]" 1
232 1 14 PHE HA 1 22 ALA MB . . 4.030 2.165 1.982 2.335 . 0 0 "[ . 1 . 2]" 1
233 1 14 PHE HB2 1 15 LYS H . . 4.350 4.228 4.066 4.306 . 0 0 "[ . 1 . 2]" 1
234 1 14 PHE HB2 1 22 ALA MB . . 3.780 2.054 1.978 2.268 . 0 0 "[ . 1 . 2]" 1
235 1 14 PHE HB2 1 46 ALA MB . . 5.210 3.475 3.233 3.846 . 0 0 "[ . 1 . 2]" 1
236 1 14 PHE HB3 1 15 LYS H . . 4.460 3.102 2.833 3.273 . 0 0 "[ . 1 . 2]" 1
237 1 14 PHE QD 1 15 LYS H . . 4.070 4.182 4.152 4.224 0.154 1 0 "[ . 1 . 2]" 1
238 1 14 PHE QD 1 15 LYS HA . . 4.430 4.422 4.335 4.461 0.031 1 0 "[ . 1 . 2]" 1
239 1 14 PHE QD 1 15 LYS QB . . 4.730 4.624 4.441 4.787 0.057 19 0 "[ . 1 . 2]" 1
240 1 14 PHE QD 1 15 LYS QD . . 4.610 4.137 3.894 4.344 . 0 0 "[ . 1 . 2]" 1
241 1 14 PHE QD 1 15 LYS HG2 . . 4.370 3.336 2.980 3.612 . 0 0 "[ . 1 . 2]" 1
242 1 14 PHE QD 1 15 LYS HG3 . . 4.410 2.631 2.414 2.907 . 0 0 "[ . 1 . 2]" 1
243 1 14 PHE QD 1 19 TYR HA . . 4.410 3.449 3.141 4.004 . 0 0 "[ . 1 . 2]" 1
244 1 14 PHE QD 1 19 TYR HB3 . . 4.030 3.534 3.199 3.915 . 0 0 "[ . 1 . 2]" 1
245 1 14 PHE QD 1 19 TYR QD . . 3.680 2.371 2.111 2.721 . 0 0 "[ . 1 . 2]" 1
246 1 14 PHE QD 1 19 TYR QE . . 3.830 3.856 3.731 3.893 0.063 9 0 "[ . 1 . 2]" 1
247 1 14 PHE QD 1 22 ALA HA . . 5.500 5.499 5.231 5.556 0.056 9 0 "[ . 1 . 2]" 1
248 1 14 PHE QD 1 22 ALA MB . . 3.870 2.816 2.598 3.175 . 0 0 "[ . 1 . 2]" 1
249 1 14 PHE QD 1 23 VAL MG2 . . 5.500 5.017 3.927 5.325 . 0 0 "[ . 1 . 2]" 1
250 1 14 PHE QD 1 46 ALA MB . . 3.560 2.452 2.342 2.548 . 0 0 "[ . 1 . 2]" 1
251 1 14 PHE QE 1 19 TYR QE . . 4.170 4.036 3.731 4.173 0.003 17 0 "[ . 1 . 2]" 1
252 1 14 PHE QE 1 45 MET QB . . 4.190 4.031 2.896 4.239 0.049 4 0 "[ . 1 . 2]" 1
253 1 14 PHE QE 1 45 MET QG . . 4.010 3.918 3.473 4.092 0.082 1 0 "[ . 1 . 2]" 1
254 1 14 PHE QE 1 46 ALA HA . . 3.360 2.029 1.910 2.133 . 0 0 "[ . 1 . 2]" 1
255 1 14 PHE QE 1 48 ILE MD . . 4.880 4.543 4.277 4.678 . 0 0 "[ . 1 . 2]" 1
256 1 14 PHE QE 1 48 ILE HG12 . . 5.150 5.125 4.792 5.200 0.050 14 0 "[ . 1 . 2]" 1
257 1 14 PHE QE 1 49 LYS HA . . 4.840 4.862 4.719 4.892 0.052 15 0 "[ . 1 . 2]" 1
258 1 14 PHE QE 1 49 LYS HB2 . . 4.700 2.456 2.250 2.552 . 0 0 "[ . 1 . 2]" 1
259 1 14 PHE QE 1 49 LYS HB3 . . 4.650 3.281 2.786 3.589 . 0 0 "[ . 1 . 2]" 1
260 1 14 PHE QE 1 49 LYS HD2 . . 4.240 2.165 2.071 2.362 . 0 0 "[ . 1 . 2]" 1
261 1 14 PHE QE 1 49 LYS HD3 . . 4.090 3.445 3.283 3.719 . 0 0 "[ . 1 . 2]" 1
262 1 14 PHE QE 1 49 LYS QE . . 3.840 3.839 3.760 3.890 0.050 20 0 "[ . 1 . 2]" 1
263 1 14 PHE QE 1 49 LYS HG2 . . 4.020 2.655 2.403 2.859 . 0 0 "[ . 1 . 2]" 1
264 1 14 PHE QE 1 49 LYS HG3 . . 4.570 4.086 3.875 4.237 . 0 0 "[ . 1 . 2]" 1
265 1 14 PHE QE 1 50 LEU QD . . 5.500 5.382 4.842 5.624 0.124 20 0 "[ . 1 . 2]" 1
266 1 14 PHE HZ 1 15 LYS QE . . 5.500 5.552 5.509 5.587 0.087 8 0 "[ . 1 . 2]" 1
267 1 14 PHE HZ 1 48 ILE HG12 . . 5.500 5.490 5.163 5.589 0.089 7 0 "[ . 1 . 2]" 1
268 1 14 PHE HZ 1 49 LYS HG2 . . 5.500 4.139 3.563 4.462 . 0 0 "[ . 1 . 2]" 1
269 1 14 PHE HZ 1 49 LYS HG3 . . 5.500 5.245 4.774 5.535 0.035 1 0 "[ . 1 . 2]" 1
270 1 15 LYS H 1 15 LYS QB . . 3.080 2.455 2.390 2.526 . 0 0 "[ . 1 . 2]" 1
271 1 15 LYS H 1 15 LYS QD . . 3.960 3.842 3.765 3.952 . 0 0 "[ . 1 . 2]" 1
272 1 15 LYS H 1 15 LYS QE . . 4.400 4.331 4.206 4.449 0.049 18 0 "[ . 1 . 2]" 1
273 1 15 LYS H 1 15 LYS HG2 . . 4.360 3.809 3.692 4.018 . 0 0 "[ . 1 . 2]" 1
274 1 15 LYS H 1 15 LYS HG3 . . 3.980 2.537 2.406 2.732 . 0 0 "[ . 1 . 2]" 1
275 1 15 LYS H 1 16 GLN H . . 3.690 2.189 2.069 2.324 . 0 0 "[ . 1 . 2]" 1
276 1 15 LYS H 1 17 GLY H . . 4.670 4.098 4.002 4.369 . 0 0 "[ . 1 . 2]" 1
277 1 15 LYS HA 1 15 LYS QB . . 2.760 2.366 2.354 2.382 . 0 0 "[ . 1 . 2]" 1
278 1 15 LYS HA 1 15 LYS QE . . 4.520 4.545 4.472 4.627 0.107 10 0 "[ . 1 . 2]" 1
279 1 15 LYS HA 1 15 LYS HG2 . . 3.510 2.547 2.517 2.586 . 0 0 "[ . 1 . 2]" 1
280 1 15 LYS HA 1 15 LYS HG3 . . 3.170 2.940 2.772 2.999 . 0 0 "[ . 1 . 2]" 1
281 1 15 LYS HA 1 17 GLY H . . 4.750 3.625 3.503 3.801 . 0 0 "[ . 1 . 2]" 1
282 1 15 LYS HA 1 19 TYR QE . . 5.500 3.614 3.411 3.878 . 0 0 "[ . 1 . 2]" 1
283 1 15 LYS QB 1 15 LYS QD . . 3.160 2.163 2.146 2.178 . 0 0 "[ . 1 . 2]" 1
284 1 15 LYS QB 1 15 LYS QE . . 4.380 3.533 3.503 3.582 . 0 0 "[ . 1 . 2]" 1
285 1 15 LYS QB 1 16 GLN HG3 . . 4.940 4.102 3.758 4.285 . 0 0 "[ . 1 . 2]" 1
286 1 15 LYS QD 1 15 LYS HG2 . . 2.660 2.349 2.329 2.379 . 0 0 "[ . 1 . 2]" 1
287 1 15 LYS QE 1 15 LYS HG2 . . 3.440 2.422 2.335 2.793 . 0 0 "[ . 1 . 2]" 1
288 1 16 GLN H 1 16 GLN HB2 . . 3.340 2.387 2.258 2.434 . 0 0 "[ . 1 . 2]" 1
289 1 16 GLN H 1 16 GLN HB3 . . 3.960 3.604 3.547 3.621 . 0 0 "[ . 1 . 2]" 1
290 1 16 GLN H 1 16 GLN HG2 . . 3.750 3.504 3.390 3.790 0.040 1 0 "[ . 1 . 2]" 1
291 1 16 GLN H 1 16 GLN HG3 . . 3.750 2.595 2.508 2.680 . 0 0 "[ . 1 . 2]" 1
292 1 16 GLN H 1 17 GLY H . . 3.560 2.531 2.493 2.577 . 0 0 "[ . 1 . 2]" 1
293 1 16 GLN H 1 17 GLY HA2 . . 5.240 4.868 4.819 4.922 . 0 0 "[ . 1 . 2]" 1
294 1 16 GLN H 1 18 LEU QD . . 5.040 3.652 3.589 3.711 . 0 0 "[ . 1 . 2]" 1
295 1 16 GLN HA 1 16 GLN HE21 . . 5.500 4.685 4.630 4.774 . 0 0 "[ . 1 . 2]" 1
296 1 16 GLN HA 1 16 GLN HG2 . . 3.420 2.264 2.241 2.287 . 0 0 "[ . 1 . 2]" 1
297 1 16 GLN HA 1 16 GLN HG3 . . 3.580 3.106 2.660 3.253 . 0 0 "[ . 1 . 2]" 1
298 1 16 GLN HB2 1 17 GLY H . . 4.420 3.296 3.186 3.356 . 0 0 "[ . 1 . 2]" 1
299 1 16 GLN HB2 1 18 LEU H . . 4.750 3.409 3.317 3.553 . 0 0 "[ . 1 . 2]" 1
300 1 16 GLN HB2 1 18 LEU QD . . 3.550 2.414 2.310 2.551 . 0 0 "[ . 1 . 2]" 1
301 1 16 GLN HB2 1 18 LEU HG . . 4.850 2.412 2.320 2.792 . 0 0 "[ . 1 . 2]" 1
302 1 16 GLN HB3 1 17 GLY H . . 4.330 4.066 3.943 4.120 . 0 0 "[ . 1 . 2]" 1
303 1 16 GLN HB3 1 18 LEU QD . . 4.190 2.990 2.908 3.191 . 0 0 "[ . 1 . 2]" 1
304 1 16 GLN HB3 1 18 LEU HG . . 4.490 2.851 2.704 3.050 . 0 0 "[ . 1 . 2]" 1
305 1 16 GLN HE21 1 18 LEU QD . . 4.200 2.335 2.028 4.597 0.397 19 0 "[ . 1 . 2]" 1
306 1 16 GLN HG3 1 18 LEU QD . . 4.790 3.803 3.686 4.110 . 0 0 "[ . 1 . 2]" 1
307 1 16 GLN HG3 1 18 LEU HG . . 5.270 4.779 4.659 5.256 . 0 0 "[ . 1 . 2]" 1
308 1 17 GLY H 1 18 LEU HB3 . . 5.290 5.306 5.243 5.320 0.030 7 0 "[ . 1 . 2]" 1
309 1 17 GLY H 1 18 LEU QD . . 4.810 3.695 3.492 3.797 . 0 0 "[ . 1 . 2]" 1
310 1 17 GLY H 1 19 TYR QE . . 4.700 3.510 3.192 4.280 . 0 0 "[ . 1 . 2]" 1
311 1 17 GLY HA3 1 18 LEU HA . . 4.980 4.661 4.649 4.672 . 0 0 "[ . 1 . 2]" 1
312 1 17 GLY HA3 1 19 TYR QE . . 4.510 4.519 4.304 4.565 0.055 15 0 "[ . 1 . 2]" 1
313 1 18 LEU H 1 18 LEU HB3 . . 3.530 3.443 3.405 3.504 . 0 0 "[ . 1 . 2]" 1
314 1 18 LEU H 1 18 LEU QD . . 3.780 2.311 2.176 2.394 . 0 0 "[ . 1 . 2]" 1
315 1 18 LEU H 1 18 LEU HG . . 3.900 2.398 2.354 2.457 . 0 0 "[ . 1 . 2]" 1
316 1 18 LEU H 1 19 TYR H . . 4.090 2.834 2.763 2.985 . 0 0 "[ . 1 . 2]" 1
317 1 18 LEU HA 1 18 LEU QD . . 3.280 3.344 3.333 3.351 0.071 10 0 "[ . 1 . 2]" 1
318 1 18 LEU HA 1 18 LEU HG . . 3.720 3.688 3.663 3.704 . 0 0 "[ . 1 . 2]" 1
319 1 18 LEU HA 1 19 TYR H . . 3.150 2.566 2.493 2.607 . 0 0 "[ . 1 . 2]" 1
320 1 18 LEU HA 1 20 ARG H . . 4.700 3.545 3.366 3.611 . 0 0 "[ . 1 . 2]" 1
321 1 18 LEU HB2 1 19 TYR H . . 4.740 4.424 4.388 4.442 . 0 0 "[ . 1 . 2]" 1
322 1 18 LEU HB2 1 21 GLU HG2 . . 4.670 3.152 3.024 3.225 . 0 0 "[ . 1 . 2]" 1
323 1 18 LEU HB3 1 19 TYR H . . 4.870 4.580 4.562 4.607 . 0 0 "[ . 1 . 2]" 1
324 1 18 LEU HB3 1 21 GLU HG2 . . 4.960 4.913 4.781 4.985 0.025 20 0 "[ . 1 . 2]" 1
325 1 18 LEU QD 1 19 TYR H . . 5.050 3.720 3.658 3.823 . 0 0 "[ . 1 . 2]" 1
326 1 18 LEU QD 1 21 GLU H . . 4.170 3.226 3.151 3.370 . 0 0 "[ . 1 . 2]" 1
327 1 18 LEU QD 1 21 GLU QB . . 4.480 2.502 2.218 3.766 . 0 0 "[ . 1 . 2]" 1
328 1 18 LEU QD 1 21 GLU HG2 . . 4.170 2.781 2.489 2.987 . 0 0 "[ . 1 . 2]" 1
329 1 18 LEU QD 1 21 GLU HG3 . . 4.020 2.185 2.006 2.429 . 0 0 "[ . 1 . 2]" 1
330 1 18 LEU QD 1 22 ALA H . . 4.000 3.523 3.205 4.035 0.035 18 0 "[ . 1 . 2]" 1
331 1 18 LEU QD 1 22 ALA MB . . 4.070 3.212 2.434 3.503 . 0 0 "[ . 1 . 2]" 1
332 1 19 TYR H 1 19 TYR HB2 . . 3.860 2.743 2.698 2.783 . 0 0 "[ . 1 . 2]" 1
333 1 19 TYR H 1 19 TYR HB3 . . 3.970 3.502 3.483 3.514 . 0 0 "[ . 1 . 2]" 1
334 1 19 TYR H 1 19 TYR QD . . 3.910 2.776 2.328 2.887 . 0 0 "[ . 1 . 2]" 1
335 1 19 TYR H 1 19 TYR QE . . 5.050 3.967 3.793 4.053 . 0 0 "[ . 1 . 2]" 1
336 1 19 TYR H 1 20 ARG H . . 3.650 3.092 2.968 3.168 . 0 0 "[ . 1 . 2]" 1
337 1 19 TYR H 1 20 ARG HB2 . . 5.170 5.069 4.882 5.232 0.062 1 0 "[ . 1 . 2]" 1
338 1 19 TYR H 1 50 LEU QD . . 4.660 3.397 3.299 3.545 . 0 0 "[ . 1 . 2]" 1
339 1 19 TYR HA 1 19 TYR QD . . 3.360 2.409 2.285 2.947 . 0 0 "[ . 1 . 2]" 1
340 1 19 TYR HA 1 22 ALA MB . . 3.620 2.153 1.951 2.268 . 0 0 "[ . 1 . 2]" 1
341 1 19 TYR HA 1 46 ALA MB . . 4.550 3.878 3.628 4.296 . 0 0 "[ . 1 . 2]" 1
342 1 19 TYR HA 1 50 LEU QD . . 4.850 3.792 3.544 3.932 . 0 0 "[ . 1 . 2]" 1
343 1 19 TYR HB2 1 20 ARG H . . 4.510 3.014 2.817 3.169 . 0 0 "[ . 1 . 2]" 1
344 1 19 TYR HB2 1 22 ALA MB . . 5.290 4.470 4.198 4.751 . 0 0 "[ . 1 . 2]" 1
345 1 19 TYR HB2 1 50 LEU HA . . 4.590 4.391 3.845 4.652 0.062 14 0 "[ . 1 . 2]" 1
346 1 19 TYR HB2 1 50 LEU HB3 . . 4.750 4.764 4.015 4.938 0.188 17 0 "[ . 1 . 2]" 1
347 1 19 TYR HB2 1 50 LEU QD . . 3.890 1.867 1.756 1.963 . 0 0 "[ . 1 . 2]" 1
348 1 19 TYR HB2 1 50 LEU HG . . 4.500 2.852 2.157 4.411 . 0 0 "[ . 1 . 2]" 1
349 1 19 TYR HB3 1 20 ARG H . . 4.630 4.118 3.974 4.223 . 0 0 "[ . 1 . 2]" 1
350 1 19 TYR HB3 1 23 VAL MG2 . . 4.580 3.388 2.415 3.697 . 0 0 "[ . 1 . 2]" 1
351 1 19 TYR HB3 1 46 ALA MB . . 4.440 3.084 2.715 3.442 . 0 0 "[ . 1 . 2]" 1
352 1 19 TYR HB3 1 50 LEU HA . . 5.500 5.387 4.897 5.571 0.071 8 0 "[ . 1 . 2]" 1
353 1 19 TYR HB3 1 50 LEU QD . . 3.680 2.637 2.041 2.945 . 0 0 "[ . 1 . 2]" 1
354 1 19 TYR HB3 1 50 LEU HG . . 5.500 3.619 2.855 5.521 0.021 20 0 "[ . 1 . 2]" 1
355 1 19 TYR QD 1 20 ARG H . . 4.630 4.382 3.911 4.556 . 0 0 "[ . 1 . 2]" 1
356 1 19 TYR QD 1 22 ALA MB . . 4.180 3.331 2.941 3.507 . 0 0 "[ . 1 . 2]" 1
357 1 19 TYR QD 1 46 ALA MB . . 4.320 3.889 3.584 4.016 . 0 0 "[ . 1 . 2]" 1
358 1 19 TYR QD 1 49 LYS HB3 . . 5.110 2.900 2.754 3.259 . 0 0 "[ . 1 . 2]" 1
359 1 19 TYR QD 1 50 LEU HA . . 3.920 3.374 2.943 3.815 . 0 0 "[ . 1 . 2]" 1
360 1 19 TYR QD 1 50 LEU QD . . 3.950 2.113 2.038 2.187 . 0 0 "[ . 1 . 2]" 1
361 1 19 TYR QD 1 50 LEU HG . . 5.500 3.417 2.501 5.130 . 0 0 "[ . 1 . 2]" 1
362 1 19 TYR QE 1 22 ALA MB . . 5.230 5.111 4.731 5.250 0.020 10 0 "[ . 1 . 2]" 1
363 1 19 TYR QE 1 46 ALA MB . . 5.350 5.341 5.181 5.396 0.046 1 0 "[ . 1 . 2]" 1
364 1 19 TYR QE 1 49 LYS HA . . 4.970 4.650 4.439 5.028 0.058 20 0 "[ . 1 . 2]" 1
365 1 19 TYR QE 1 49 LYS HB2 . . 4.640 4.685 4.458 4.759 0.119 18 0 "[ . 1 . 2]" 1
366 1 19 TYR QE 1 49 LYS HB3 . . 4.980 3.687 3.545 3.885 . 0 0 "[ . 1 . 2]" 1
367 1 19 TYR QE 1 49 LYS HD2 . . 5.180 4.570 4.307 4.735 . 0 0 "[ . 1 . 2]" 1
368 1 19 TYR QE 1 49 LYS QE . . 5.070 5.047 4.733 5.151 0.081 7 0 "[ . 1 . 2]" 1
369 1 19 TYR QE 1 49 LYS HG2 . . 4.290 2.770 2.092 2.927 . 0 0 "[ . 1 . 2]" 1
370 1 19 TYR QE 1 50 LEU HA . . 4.570 4.579 4.343 4.618 0.048 7 0 "[ . 1 . 2]" 1
371 1 19 TYR QE 1 50 LEU QD . . 5.100 3.800 3.669 4.009 . 0 0 "[ . 1 . 2]" 1
372 1 20 ARG H 1 20 ARG HB2 . . 3.920 2.184 2.011 2.454 . 0 0 "[ . 1 . 2]" 1
373 1 20 ARG H 1 20 ARG HB3 . . 3.990 2.863 2.378 3.230 . 0 0 "[ . 1 . 2]" 1
374 1 20 ARG H 1 20 ARG QD . . 4.250 4.261 4.089 4.425 0.175 6 0 "[ . 1 . 2]" 1
375 1 20 ARG H 1 20 ARG QG . . 4.600 3.687 3.404 4.010 . 0 0 "[ . 1 . 2]" 1
376 1 20 ARG H 1 21 GLU H . . 3.630 2.746 2.678 2.841 . 0 0 "[ . 1 . 2]" 1
377 1 20 ARG H 1 22 ALA H . . 4.870 4.093 3.922 4.170 . 0 0 "[ . 1 . 2]" 1
378 1 20 ARG H 1 50 LEU QD . . 4.490 2.661 2.411 3.004 . 0 0 "[ . 1 . 2]" 1
379 1 20 ARG HA 1 20 ARG QD . . 3.420 2.246 1.972 3.450 0.030 15 0 "[ . 1 . 2]" 1
380 1 20 ARG HA 1 20 ARG QG . . 3.380 2.582 2.370 3.129 . 0 0 "[ . 1 . 2]" 1
381 1 20 ARG HA 1 23 VAL H . . 4.440 3.766 3.444 4.516 0.076 17 0 "[ . 1 . 2]" 1
382 1 20 ARG HA 1 23 VAL HB . . 3.860 3.687 3.158 3.910 0.050 17 0 "[ . 1 . 2]" 1
383 1 20 ARG HA 1 23 VAL MG2 . . 4.010 2.876 2.183 3.752 . 0 0 "[ . 1 . 2]" 1
384 1 20 ARG HA 1 24 HIS H . . 4.730 4.777 4.745 4.928 0.198 15 0 "[ . 1 . 2]" 1
385 1 20 ARG HA 1 50 LEU QD . . 3.620 2.414 2.018 3.022 . 0 0 "[ . 1 . 2]" 1
386 1 20 ARG HB2 1 21 GLU H . . 4.270 3.798 3.474 4.318 0.048 17 0 "[ . 1 . 2]" 1
387 1 20 ARG HB2 1 50 LEU QD . . 4.650 2.918 2.290 3.228 . 0 0 "[ . 1 . 2]" 1
388 1 20 ARG HB3 1 20 ARG QD . . 3.620 2.671 2.214 3.463 . 0 0 "[ . 1 . 2]" 1
389 1 20 ARG HB3 1 21 GLU H . . 4.180 3.141 2.553 3.656 . 0 0 "[ . 1 . 2]" 1
390 1 20 ARG HB3 1 50 LEU QD . . 5.110 3.969 3.405 4.343 . 0 0 "[ . 1 . 2]" 1
391 1 20 ARG QD 1 21 GLU H . . 4.540 4.299 3.277 4.566 0.026 10 0 "[ . 1 . 2]" 1
392 1 20 ARG QD 1 21 GLU HG2 . . 5.290 5.008 3.402 5.360 0.070 1 0 "[ . 1 . 2]" 1
393 1 20 ARG QD 1 23 VAL HB . . 4.510 3.814 3.290 4.524 0.014 14 0 "[ . 1 . 2]" 1
394 1 20 ARG QD 1 24 HIS HE1 . . 4.670 4.417 2.350 4.697 0.027 20 0 "[ . 1 . 2]" 1
395 1 20 ARG QD 1 50 LEU QD . . 4.190 3.488 2.973 4.246 0.056 9 0 "[ . 1 . 2]" 1
396 1 20 ARG QG 1 21 GLU H . . 4.840 4.505 3.839 4.901 0.061 14 0 "[ . 1 . 2]" 1
397 1 21 GLU H 1 21 GLU HG2 . . 3.960 2.082 1.859 2.288 . 0 0 "[ . 1 . 2]" 1
398 1 21 GLU H 1 21 GLU HG3 . . 3.920 3.328 2.806 3.463 . 0 0 "[ . 1 . 2]" 1
399 1 21 GLU H 1 22 ALA H . . 3.550 2.263 1.992 2.480 . 0 0 "[ . 1 . 2]" 1
400 1 21 GLU H 1 22 ALA MB . . 4.580 3.862 3.373 4.107 . 0 0 "[ . 1 . 2]" 1
401 1 21 GLU HA 1 21 GLU HG2 . . 3.340 3.193 3.038 3.588 0.248 14 0 "[ . 1 . 2]" 1
402 1 21 GLU HA 1 21 GLU HG3 . . 3.810 3.824 3.748 3.873 0.063 15 0 "[ . 1 . 2]" 1
403 1 21 GLU HA 1 24 HIS H . . 4.000 3.687 3.546 3.781 . 0 0 "[ . 1 . 2]" 1
404 1 21 GLU HA 1 24 HIS HB3 . . 4.190 3.534 3.258 4.389 0.199 15 0 "[ . 1 . 2]" 1
405 1 21 GLU HG2 1 22 ALA H . . 5.020 3.936 3.842 4.127 . 0 0 "[ . 1 . 2]" 1
406 1 21 GLU HG3 1 22 ALA H . . 4.430 4.473 3.935 4.597 0.167 20 0 "[ . 1 . 2]" 1
407 1 21 GLU HG3 1 22 ALA MB . . 5.440 5.209 3.449 5.544 0.104 15 0 "[ . 1 . 2]" 1
408 1 22 ALA H 1 22 ALA MB . . 3.340 2.235 2.156 2.578 . 0 0 "[ . 1 . 2]" 1
409 1 22 ALA HA 1 25 CYS H . . 4.360 3.513 3.142 3.692 . 0 0 "[ . 1 . 2]" 1
410 1 22 ALA HA 1 25 CYS HB2 . . 4.180 2.632 2.140 4.195 0.015 7 0 "[ . 1 . 2]" 1
411 1 22 ALA HA 1 25 CYS HB3 . . 4.210 3.632 2.483 4.010 . 0 0 "[ . 1 . 2]" 1
412 1 22 ALA MB 1 23 VAL H . . 4.300 3.133 2.963 3.570 . 0 0 "[ . 1 . 2]" 1
413 1 22 ALA MB 1 23 VAL HA . . 4.530 4.127 4.019 4.427 . 0 0 "[ . 1 . 2]" 1
414 1 22 ALA MB 1 23 VAL HB . . 5.050 5.011 4.893 5.088 0.038 7 0 "[ . 1 . 2]" 1
415 1 22 ALA MB 1 25 CYS HB3 . . 5.310 4.785 4.043 5.036 . 0 0 "[ . 1 . 2]" 1
416 1 22 ALA MB 1 26 TYR QE . . 4.600 3.212 2.891 4.138 . 0 0 "[ . 1 . 2]" 1
417 1 22 ALA MB 1 46 ALA MB . . 4.160 2.796 2.421 3.790 . 0 0 "[ . 1 . 2]" 1
418 1 23 VAL H 1 23 VAL HB . . 3.520 2.372 2.217 2.454 . 0 0 "[ . 1 . 2]" 1
419 1 23 VAL H 1 23 VAL MG1 . . 4.160 3.743 3.684 3.767 . 0 0 "[ . 1 . 2]" 1
420 1 23 VAL H 1 23 VAL MG2 . . 3.810 2.349 2.201 2.918 . 0 0 "[ . 1 . 2]" 1
421 1 23 VAL H 1 24 HIS H . . 3.660 2.100 1.807 2.575 . 0 0 "[ . 1 . 2]" 1
422 1 23 VAL H 1 24 HIS HB3 . . 4.670 4.826 4.725 4.878 0.208 8 0 "[ . 1 . 2]" 1
423 1 23 VAL H 1 25 CYS H . . 4.140 3.674 2.769 3.857 . 0 0 "[ . 1 . 2]" 1
424 1 23 VAL HA 1 23 VAL MG1 . . 3.630 2.449 2.398 2.550 . 0 0 "[ . 1 . 2]" 1
425 1 23 VAL HA 1 23 VAL MG2 . . 3.540 2.411 2.340 2.444 . 0 0 "[ . 1 . 2]" 1
426 1 23 VAL HA 1 26 TYR H . . 4.010 3.969 3.798 4.085 0.075 15 0 "[ . 1 . 2]" 1
427 1 23 VAL HA 1 26 TYR HB2 . . 4.700 3.955 3.629 4.369 . 0 0 "[ . 1 . 2]" 1
428 1 23 VAL HA 1 26 TYR QD . . 3.900 3.136 2.580 3.348 . 0 0 "[ . 1 . 2]" 1
429 1 23 VAL HA 1 26 TYR QE . . 4.390 4.210 3.180 4.426 0.036 1 0 "[ . 1 . 2]" 1
430 1 23 VAL HA 1 43 LYS HA . . 4.270 3.410 3.240 3.689 . 0 0 "[ . 1 . 2]" 1
431 1 23 VAL HA 1 46 ALA MB . . 4.110 2.984 2.382 3.203 . 0 0 "[ . 1 . 2]" 1
432 1 23 VAL HB 1 24 HIS H . . 3.720 2.168 2.003 2.253 . 0 0 "[ . 1 . 2]" 1
433 1 23 VAL HB 1 24 HIS HA . . 4.790 4.048 3.969 4.332 . 0 0 "[ . 1 . 2]" 1
434 1 23 VAL HB 1 24 HIS HB3 . . 4.650 4.822 3.560 4.998 0.348 17 0 "[ . 1 . 2]" 1
435 1 23 VAL HB 1 24 HIS HE1 . . 5.320 5.225 3.624 5.645 0.325 15 0 "[ . 1 . 2]" 1
436 1 23 VAL HB 1 46 ALA MB . . 5.040 4.927 4.241 5.098 0.058 6 0 "[ . 1 . 2]" 1
437 1 23 VAL MG1 1 24 HIS H . . 4.190 3.269 2.854 3.389 . 0 0 "[ . 1 . 2]" 1
438 1 23 VAL MG1 1 24 HIS HA . . 4.390 3.450 2.989 3.564 . 0 0 "[ . 1 . 2]" 1
439 1 23 VAL MG1 1 24 HIS HB2 . . 5.320 4.362 4.266 4.643 . 0 0 "[ . 1 . 2]" 1
440 1 23 VAL MG1 1 24 HIS HB3 . . 5.390 5.177 3.209 5.389 . 0 0 "[ . 1 . 2]" 1
441 1 23 VAL MG1 1 27 ASP H . . 4.780 4.564 4.328 4.908 0.128 14 0 "[ . 1 . 2]" 1
442 1 23 VAL MG1 1 43 LYS HA . . 4.480 3.937 3.087 4.298 . 0 0 "[ . 1 . 2]" 1
443 1 23 VAL MG2 1 24 HIS H . . 4.710 3.565 3.507 3.756 . 0 0 "[ . 1 . 2]" 1
444 1 23 VAL MG2 1 26 TYR HB2 . . 5.300 5.616 5.328 5.849 0.549 18 2 "[ . - 1 . + 2]" 1
445 1 23 VAL MG2 1 26 TYR QD . . 5.170 4.623 4.155 4.837 . 0 0 "[ . 1 . 2]" 1
446 1 23 VAL MG2 1 26 TYR QE . . 5.500 4.975 4.131 5.231 . 0 0 "[ . 1 . 2]" 1
447 1 23 VAL MG2 1 43 LYS HA . . 4.370 4.174 3.849 4.316 . 0 0 "[ . 1 . 2]" 1
448 1 23 VAL MG2 1 46 ALA H . . 5.500 4.585 4.010 4.946 . 0 0 "[ . 1 . 2]" 1
449 1 23 VAL MG2 1 46 ALA MB . . 3.540 2.747 2.021 2.978 . 0 0 "[ . 1 . 2]" 1
450 1 23 VAL MG2 1 47 LEU H . . 4.620 3.629 3.130 4.035 . 0 0 "[ . 1 . 2]" 1
451 1 23 VAL MG2 1 47 LEU QD . . 4.150 2.433 2.190 3.073 . 0 0 "[ . 1 . 2]" 1
452 1 24 HIS H 1 24 HIS HB2 . . 3.590 1.913 1.781 3.564 . 0 0 "[ . 1 . 2]" 1
453 1 24 HIS H 1 24 HIS HB3 . . 3.030 3.021 2.302 3.253 0.223 14 0 "[ . 1 . 2]" 1
454 1 24 HIS HA 1 24 HIS HD2 . . 5.200 3.723 3.267 4.242 . 0 0 "[ . 1 . 2]" 1
455 1 24 HIS HA 1 26 TYR H . . 4.790 3.819 3.392 4.030 . 0 0 "[ . 1 . 2]" 1
456 1 24 HIS HA 1 27 ASP H . . 4.000 3.519 2.746 3.863 . 0 0 "[ . 1 . 2]" 1
457 1 24 HIS HA 1 27 ASP HB2 . . 3.710 3.078 2.302 3.499 . 0 0 "[ . 1 . 2]" 1
458 1 24 HIS HA 1 27 ASP HB3 . . 3.530 3.225 2.436 3.535 0.005 10 0 "[ . 1 . 2]" 1
459 1 24 HIS HB2 1 24 HIS HD2 . . 3.800 3.729 2.965 3.820 0.020 20 0 "[ . 1 . 2]" 1
460 1 24 HIS HB3 1 25 CYS H . . 3.860 3.929 3.905 4.042 0.182 15 0 "[ . 1 . 2]" 1
461 1 25 CYS H 1 25 CYS HB2 . . 4.010 2.710 2.369 3.758 . 0 0 "[ . 1 . 2]" 1
462 1 25 CYS H 1 25 CYS HB3 . . 3.930 3.456 2.458 3.682 . 0 0 "[ . 1 . 2]" 1
463 1 25 CYS H 1 26 TYR H . . 3.390 2.055 1.884 2.642 . 0 0 "[ . 1 . 2]" 1
464 1 25 CYS HB2 1 26 TYR H . . 4.040 3.650 3.408 4.240 0.200 20 0 "[ . 1 . 2]" 1
465 1 25 CYS HB3 1 26 TYR H . . 3.910 4.105 4.058 4.160 0.250 17 0 "[ . 1 . 2]" 1
466 1 26 TYR H 1 26 TYR HB2 . . 3.570 2.697 2.636 2.782 . 0 0 "[ . 1 . 2]" 1
467 1 26 TYR H 1 26 TYR HB3 . . 4.130 3.813 3.769 3.857 . 0 0 "[ . 1 . 2]" 1
468 1 26 TYR H 1 27 ASP H . . 3.530 1.956 1.837 2.217 . 0 0 "[ . 1 . 2]" 1
469 1 26 TYR H 1 29 LEU QD . . 5.500 4.514 4.088 5.108 . 0 0 "[ . 1 . 2]" 1
470 1 26 TYR HA 1 26 TYR QD . . 4.020 2.324 2.232 2.386 . 0 0 "[ . 1 . 2]" 1
471 1 26 TYR HA 1 28 GLN HE21 . . 3.920 3.904 3.580 4.381 0.461 20 0 "[ . 1 . 2]" 1
472 1 26 TYR HA 1 29 LEU H . . 3.950 3.884 3.761 3.975 0.025 20 0 "[ . 1 . 2]" 1
473 1 26 TYR HA 1 29 LEU HB2 . . 4.440 4.301 4.144 4.422 . 0 0 "[ . 1 . 2]" 1
474 1 26 TYR HA 1 29 LEU QD . . 3.810 2.313 1.922 2.851 . 0 0 "[ . 1 . 2]" 1
475 1 26 TYR HA 1 29 LEU HG . . 4.530 3.696 2.671 4.487 . 0 0 "[ . 1 . 2]" 1
476 1 26 TYR HB2 1 27 ASP H . . 4.850 3.405 3.223 3.765 . 0 0 "[ . 1 . 2]" 1
477 1 26 TYR HB2 1 29 LEU QD . . 4.830 4.044 3.762 4.385 . 0 0 "[ . 1 . 2]" 1
478 1 26 TYR HB2 1 43 LYS H . . 4.870 3.458 3.273 3.629 . 0 0 "[ . 1 . 2]" 1
479 1 26 TYR HB2 1 43 LYS HA . . 4.820 3.265 2.964 3.611 . 0 0 "[ . 1 . 2]" 1
480 1 26 TYR HB2 1 43 LYS HB2 . . 4.610 2.158 2.005 4.047 . 0 0 "[ . 1 . 2]" 1
481 1 26 TYR HB3 1 29 LEU QD . . 5.110 2.842 2.619 3.048 . 0 0 "[ . 1 . 2]" 1
482 1 26 TYR HB3 1 30 ILE MD . . 5.280 4.355 4.023 4.514 . 0 0 "[ . 1 . 2]" 1
483 1 26 TYR HB3 1 43 LYS H . . 4.700 3.106 2.955 3.177 . 0 0 "[ . 1 . 2]" 1
484 1 26 TYR HB3 1 43 LYS HA . . 4.550 4.272 4.095 4.589 0.039 20 0 "[ . 1 . 2]" 1
485 1 26 TYR HB3 1 43 LYS HB3 . . 4.050 4.075 3.485 4.149 0.099 4 0 "[ . 1 . 2]" 1
486 1 26 TYR QD 1 29 LEU QD . . 4.440 3.150 2.911 3.399 . 0 0 "[ . 1 . 2]" 1
487 1 26 TYR QD 1 29 LEU HG . . 5.500 4.931 4.460 5.421 . 0 0 "[ . 1 . 2]" 1
488 1 26 TYR QD 1 30 ILE MD . . 5.500 5.467 5.215 5.532 0.032 20 0 "[ . 1 . 2]" 1
489 1 26 TYR QD 1 42 ASN HA . . 4.880 4.607 4.466 4.885 0.005 14 0 "[ . 1 . 2]" 1
490 1 26 TYR QD 1 43 LYS H . . 4.940 3.263 3.153 3.556 . 0 0 "[ . 1 . 2]" 1
491 1 26 TYR QD 1 43 LYS HA . . 4.370 2.034 1.921 2.455 . 0 0 "[ . 1 . 2]" 1
492 1 26 TYR QD 1 43 LYS HB3 . . 4.110 4.137 2.932 4.269 0.159 18 0 "[ . 1 . 2]" 1
493 1 26 TYR QE 1 29 LEU QD . . 5.070 4.818 4.649 4.967 . 0 0 "[ . 1 . 2]" 1
494 1 26 TYR QE 1 46 ALA H . . 5.050 4.504 4.123 4.855 . 0 0 "[ . 1 . 2]" 1
495 1 26 TYR QE 1 46 ALA MB . . 3.940 2.192 2.005 2.433 . 0 0 "[ . 1 . 2]" 1
496 1 27 ASP H 1 27 ASP HB2 . . 3.460 2.392 2.333 2.491 . 0 0 "[ . 1 . 2]" 1
497 1 27 ASP H 1 27 ASP HB3 . . 3.190 2.504 2.468 2.590 . 0 0 "[ . 1 . 2]" 1
498 1 27 ASP H 1 28 GLN H . . 3.380 2.532 2.374 2.619 . 0 0 "[ . 1 . 2]" 1
499 1 27 ASP H 1 29 LEU H . . 4.580 4.229 4.153 4.317 . 0 0 "[ . 1 . 2]" 1
500 1 27 ASP H 1 30 ILE MD . . 5.020 4.499 4.222 4.607 . 0 0 "[ . 1 . 2]" 1
501 1 27 ASP HA 1 29 LEU H . . 4.190 3.729 3.506 4.016 . 0 0 "[ . 1 . 2]" 1
502 1 27 ASP HA 1 30 ILE H . . 4.530 3.461 3.275 3.902 . 0 0 "[ . 1 . 2]" 1
503 1 27 ASP HA 1 30 ILE HB . . 3.690 3.291 3.181 3.483 . 0 0 "[ . 1 . 2]" 1
504 1 27 ASP HA 1 30 ILE MD . . 3.700 2.049 1.961 2.169 . 0 0 "[ . 1 . 2]" 1
505 1 27 ASP HA 1 30 ILE HG12 . . 4.790 4.895 4.854 4.939 0.149 10 0 "[ . 1 . 2]" 1
506 1 27 ASP HB2 1 28 GLN H . . 3.870 4.004 3.967 4.023 0.153 2 0 "[ . 1 . 2]" 1
507 1 27 ASP HB3 1 28 GLN H . . 3.890 2.954 2.902 3.011 . 0 0 "[ . 1 . 2]" 1
508 1 27 ASP HB3 1 28 GLN HA . . 4.790 4.137 4.082 4.191 . 0 0 "[ . 1 . 2]" 1
509 1 27 ASP HB3 1 30 ILE MD . . 5.110 4.738 4.573 4.821 . 0 0 "[ . 1 . 2]" 1
510 1 28 GLN H 1 28 GLN HB3 . . 3.540 2.570 2.435 3.559 0.019 14 0 "[ . 1 . 2]" 1
511 1 28 GLN H 1 28 GLN HE22 . . 4.080 3.773 3.606 3.833 . 0 0 "[ . 1 . 2]" 1
512 1 28 GLN H 1 28 GLN HG2 . . 3.370 3.431 3.377 3.459 0.089 4 0 "[ . 1 . 2]" 1
513 1 28 GLN H 1 28 GLN HG3 . . 3.790 3.674 2.277 3.837 0.047 3 0 "[ . 1 . 2]" 1
514 1 28 GLN H 1 29 LEU HB2 . . 5.390 4.884 4.816 4.918 . 0 0 "[ . 1 . 2]" 1
515 1 28 GLN H 1 29 LEU QD . . 4.460 3.438 2.725 4.100 . 0 0 "[ . 1 . 2]" 1
516 1 28 GLN HA 1 28 GLN HG2 . . 3.430 3.593 3.572 3.725 0.295 14 0 "[ . 1 . 2]" 1
517 1 28 GLN HA 1 29 LEU QD . . 4.600 4.327 3.871 4.656 0.056 5 0 "[ . 1 . 2]" 1
518 1 28 GLN HA 1 31 THR H . . 4.080 3.313 3.060 3.621 . 0 0 "[ . 1 . 2]" 1
519 1 28 GLN HA 1 31 THR MG . . 4.370 4.001 3.582 4.396 0.026 20 0 "[ . 1 . 2]" 1
520 1 28 GLN HA 1 32 ALA H . . 4.480 4.172 3.917 4.451 . 0 0 "[ . 1 . 2]" 1
521 1 28 GLN HB3 1 29 LEU QD . . 5.160 4.269 3.351 4.635 . 0 0 "[ . 1 . 2]" 1
522 1 28 GLN HE21 1 29 LEU HB2 . . 4.880 4.944 4.801 5.355 0.475 14 0 "[ . 1 . 2]" 1
523 1 28 GLN HE21 1 29 LEU QD . . 4.760 1.790 1.643 2.175 . 0 0 "[ . 1 . 2]" 1
524 1 28 GLN HE21 1 29 LEU HG . . 4.650 3.404 2.488 4.499 . 0 0 "[ . 1 . 2]" 1
525 1 28 GLN HE22 1 29 LEU HB2 . . 5.500 4.984 4.960 5.003 . 0 0 "[ . 1 . 2]" 1
526 1 28 GLN HG2 1 29 LEU H . . 4.330 3.357 3.163 4.578 0.248 20 0 "[ . 1 . 2]" 1
527 1 29 LEU H 1 29 LEU QD . . 4.250 2.245 1.524 2.940 . 0 0 "[ . 1 . 2]" 1
528 1 29 LEU H 1 29 LEU HG . . 3.880 3.098 2.071 3.952 0.072 13 0 "[ . 1 . 2]" 1
529 1 29 LEU H 1 30 ILE HA . . 5.190 5.073 4.988 5.311 0.121 14 0 "[ . 1 . 2]" 1
530 1 29 LEU HA 1 29 LEU QD . . 3.490 2.070 2.036 2.136 . 0 0 "[ . 1 . 2]" 1
531 1 29 LEU HA 1 30 ILE HA . . 4.650 4.732 4.561 4.758 0.108 4 0 "[ . 1 . 2]" 1
532 1 29 LEU HA 1 32 ALA MB . . 3.610 2.584 2.307 3.081 . 0 0 "[ . 1 . 2]" 1
533 1 29 LEU HA 1 33 GLN H . . 4.200 3.362 2.936 3.896 . 0 0 "[ . 1 . 2]" 1
534 1 29 LEU HA 1 33 GLN HG2 . . 4.570 4.050 3.683 4.626 0.056 12 0 "[ . 1 . 2]" 1
535 1 29 LEU HB3 1 30 ILE H . . 5.110 3.811 3.678 4.352 . 0 0 "[ . 1 . 2]" 1
536 1 29 LEU HB3 1 30 ILE HA . . 4.970 4.550 4.358 4.855 . 0 0 "[ . 1 . 2]" 1
537 1 29 LEU HB3 1 30 ILE MD . . 5.500 5.235 4.754 5.442 . 0 0 "[ . 1 . 2]" 1
538 1 29 LEU HB3 1 39 GLY H . . 4.310 4.011 3.496 4.308 . 0 0 "[ . 1 . 2]" 1
539 1 29 LEU HB3 1 39 GLY HA2 . . 4.920 3.302 2.611 3.653 . 0 0 "[ . 1 . 2]" 1
540 1 29 LEU HB3 1 39 GLY HA3 . . 4.730 2.885 2.471 3.106 . 0 0 "[ . 1 . 2]" 1
541 1 29 LEU QD 1 32 ALA MB . . 4.850 3.221 2.994 3.408 . 0 0 "[ . 1 . 2]" 1
542 1 29 LEU QD 1 38 VAL QG . . 3.760 3.258 2.447 3.779 0.019 10 0 "[ . 1 . 2]" 1
543 1 29 LEU QD 1 39 GLY H . . 5.500 4.130 3.416 4.801 . 0 0 "[ . 1 . 2]" 1
544 1 29 LEU QD 1 39 GLY HA2 . . 4.340 2.300 1.977 2.868 . 0 0 "[ . 1 . 2]" 1
545 1 29 LEU QD 1 39 GLY HA3 . . 3.890 3.297 2.906 3.763 . 0 0 "[ . 1 . 2]" 1
546 1 30 ILE H 1 30 ILE HB . . 3.930 2.363 2.286 2.471 . 0 0 "[ . 1 . 2]" 1
547 1 30 ILE H 1 30 ILE MD . . 3.890 3.044 2.446 3.379 . 0 0 "[ . 1 . 2]" 1
548 1 30 ILE H 1 30 ILE HG12 . . 4.490 3.659 3.493 4.198 . 0 0 "[ . 1 . 2]" 1
549 1 30 ILE H 1 30 ILE HG13 . . 4.990 2.246 2.070 2.904 . 0 0 "[ . 1 . 2]" 1
550 1 30 ILE H 1 30 ILE MG . . 3.760 3.724 3.689 3.792 0.032 14 0 "[ . 1 . 2]" 1
551 1 30 ILE H 1 31 THR H . . 3.990 2.352 1.793 2.512 . 0 0 "[ . 1 . 2]" 1
552 1 30 ILE H 1 31 THR HA . . 5.200 5.076 4.609 5.182 . 0 0 "[ . 1 . 2]" 1
553 1 30 ILE HA 1 30 ILE MD . . 3.950 3.878 3.761 3.910 . 0 0 "[ . 1 . 2]" 1
554 1 30 ILE HA 1 30 ILE HG12 . . 3.850 2.798 2.700 3.111 . 0 0 "[ . 1 . 2]" 1
555 1 30 ILE HA 1 30 ILE HG13 . . 3.980 2.775 2.439 2.880 . 0 0 "[ . 1 . 2]" 1
556 1 30 ILE HA 1 30 ILE MG . . 3.440 2.452 2.426 2.483 . 0 0 "[ . 1 . 2]" 1
557 1 30 ILE HA 1 34 PRO HA . . 3.820 2.408 2.345 2.476 . 0 0 "[ . 1 . 2]" 1
558 1 30 ILE HB 1 31 THR H . . 3.380 3.153 3.040 3.402 0.022 5 0 "[ . 1 . 2]" 1
559 1 30 ILE HB 1 34 PRO HA . . 5.400 5.431 5.362 5.480 0.080 8 0 "[ . 1 . 2]" 1
560 1 30 ILE MD 1 30 ILE MG . . 3.260 2.154 2.057 2.597 . 0 0 "[ . 1 . 2]" 1
561 1 30 ILE MD 1 31 THR H . . 4.450 4.592 4.481 4.624 0.174 14 0 "[ . 1 . 2]" 1
562 1 30 ILE MD 1 34 PRO HA . . 5.490 5.466 5.369 5.526 0.036 3 0 "[ . 1 . 2]" 1
563 1 30 ILE MD 1 40 TYR H . . 4.750 4.739 4.544 4.833 0.083 17 0 "[ . 1 . 2]" 1
564 1 30 ILE MD 1 40 TYR HA . . 3.550 3.334 2.826 3.604 0.054 5 0 "[ . 1 . 2]" 1
565 1 30 ILE MD 1 40 TYR HB2 . . 5.500 5.313 4.941 5.597 0.097 5 0 "[ . 1 . 2]" 1
566 1 30 ILE MD 1 40 TYR QD . . 4.320 3.428 2.892 3.912 . 0 0 "[ . 1 . 2]" 1
567 1 30 ILE MD 1 40 TYR QE . . 4.650 3.477 2.964 4.030 . 0 0 "[ . 1 . 2]" 1
568 1 30 ILE MD 1 41 SER H . . 5.500 5.483 5.326 5.610 0.110 13 0 "[ . 1 . 2]" 1
569 1 30 ILE MD 1 43 LYS H . . 4.520 4.573 4.472 4.601 0.081 12 0 "[ . 1 . 2]" 1
570 1 30 ILE MD 1 43 LYS HB2 . . 4.350 3.389 3.103 4.429 0.079 20 0 "[ . 1 . 2]" 1
571 1 30 ILE MD 1 43 LYS HB3 . . 5.500 3.136 2.964 3.963 . 0 0 "[ . 1 . 2]" 1
572 1 30 ILE MD 1 44 ALA MB . . 5.500 5.122 4.897 5.482 . 0 0 "[ . 1 . 2]" 1
573 1 30 ILE MD 1 59 MET HA . . 5.500 4.849 4.468 5.490 . 0 0 "[ . 1 . 2]" 1
574 1 30 ILE MD 1 59 MET ME . . 5.010 2.734 2.377 3.519 . 0 0 "[ . 1 . 2]" 1
575 1 30 ILE MD 1 59 MET QG . . 4.970 3.924 2.647 4.382 . 0 0 "[ . 1 . 2]" 1
576 1 30 ILE HG12 1 34 PRO HA . . 5.500 4.238 4.003 4.723 . 0 0 "[ . 1 . 2]" 1
577 1 30 ILE HG12 1 39 GLY HA2 . . 4.940 4.975 4.951 5.029 0.089 5 0 "[ . 1 . 2]" 1
578 1 30 ILE HG12 1 39 GLY HA3 . . 4.890 3.720 3.601 3.899 . 0 0 "[ . 1 . 2]" 1
579 1 30 ILE HG12 1 40 TYR H . . 5.220 4.991 4.728 5.249 0.029 5 0 "[ . 1 . 2]" 1
580 1 30 ILE HG12 1 40 TYR HA . . 4.930 4.578 4.056 4.821 . 0 0 "[ . 1 . 2]" 1
581 1 30 ILE HG12 1 40 TYR QD . . 5.500 3.635 3.516 3.784 . 0 0 "[ . 1 . 2]" 1
582 1 30 ILE HG12 1 40 TYR QE . . 5.300 3.061 2.909 3.222 . 0 0 "[ . 1 . 2]" 1
583 1 30 ILE HG13 1 34 PRO HA . . 5.010 4.512 4.110 4.686 . 0 0 "[ . 1 . 2]" 1
584 1 30 ILE HG13 1 39 GLY HA3 . . 4.290 2.976 2.619 3.243 . 0 0 "[ . 1 . 2]" 1
585 1 30 ILE HG13 1 40 TYR QD . . 5.500 4.635 4.346 4.784 . 0 0 "[ . 1 . 2]" 1
586 1 30 ILE HG13 1 40 TYR QE . . 5.500 4.351 3.931 4.547 . 0 0 "[ . 1 . 2]" 1
587 1 30 ILE HG13 1 59 MET ME . . 4.840 4.951 4.906 5.004 0.164 20 0 "[ . 1 . 2]" 1
588 1 30 ILE MG 1 31 THR H . . 3.910 3.915 3.848 3.981 0.071 5 0 "[ . 1 . 2]" 1
589 1 30 ILE MG 1 31 THR HA . . 4.120 3.975 3.894 4.033 . 0 0 "[ . 1 . 2]" 1
590 1 30 ILE MG 1 31 THR HB . . 5.500 5.345 5.173 5.465 . 0 0 "[ . 1 . 2]" 1
591 1 30 ILE MG 1 31 THR MG . . 5.500 5.039 4.954 5.182 . 0 0 "[ . 1 . 2]" 1
592 1 30 ILE MG 1 34 PRO HA . . 3.880 3.838 3.642 3.899 0.019 5 0 "[ . 1 . 2]" 1
593 1 30 ILE MG 1 34 PRO HB2 . . 4.710 3.595 3.433 3.720 . 0 0 "[ . 1 . 2]" 1
594 1 30 ILE MG 1 34 PRO HB3 . . 4.430 2.648 2.434 2.880 . 0 0 "[ . 1 . 2]" 1
595 1 30 ILE MG 1 40 TYR QD . . 4.520 4.128 3.938 4.365 . 0 0 "[ . 1 . 2]" 1
596 1 30 ILE MG 1 40 TYR QE . . 3.930 2.715 2.482 3.032 . 0 0 "[ . 1 . 2]" 1
597 1 31 THR H 1 31 THR HB . . 3.050 2.520 2.406 2.592 . 0 0 "[ . 1 . 2]" 1
598 1 31 THR H 1 31 THR MG . . 3.840 3.827 3.779 3.864 0.024 5 0 "[ . 1 . 2]" 1
599 1 31 THR H 1 32 ALA H . . 3.490 2.192 1.989 2.303 . 0 0 "[ . 1 . 2]" 1
600 1 31 THR H 1 32 ALA HA . . 4.850 4.885 4.727 4.946 0.096 4 0 "[ . 1 . 2]" 1
601 1 31 THR H 1 32 ALA MB . . 4.810 3.917 3.761 3.981 . 0 0 "[ . 1 . 2]" 1
602 1 31 THR HA 1 31 THR MG . . 3.000 2.360 2.330 2.407 . 0 0 "[ . 1 . 2]" 1
603 1 31 THR HA 1 32 ALA MB . . 5.280 4.960 4.847 5.044 . 0 0 "[ . 1 . 2]" 1
604 1 31 THR HB 1 32 ALA H . . 3.220 3.169 2.962 3.273 0.053 9 0 "[ . 1 . 2]" 1
605 1 31 THR HB 1 32 ALA MB . . 4.150 3.953 3.681 4.161 0.011 5 0 "[ . 1 . 2]" 1
606 1 31 THR MG 1 32 ALA H . . 4.080 3.937 3.788 4.014 . 0 0 "[ . 1 . 2]" 1
607 1 31 THR MG 1 32 ALA HA . . 3.800 3.811 3.769 3.837 0.037 12 0 "[ . 1 . 2]" 1
608 1 31 THR MG 1 32 ALA MB . . 4.740 4.122 3.813 4.340 . 0 0 "[ . 1 . 2]" 1
609 1 32 ALA H 1 32 ALA MB . . 3.130 2.313 2.221 2.448 . 0 0 "[ . 1 . 2]" 1
610 1 32 ALA H 1 33 GLN H . . 3.570 2.280 2.113 2.474 . 0 0 "[ . 1 . 2]" 1
611 1 32 ALA HA 1 33 GLN HE21 . . 5.500 4.509 3.927 6.177 0.677 4 3 "[ +. - * . 2]" 1
612 1 32 ALA MB 1 33 GLN H . . 3.550 2.631 2.294 2.919 . 0 0 "[ . 1 . 2]" 1
613 1 32 ALA MB 1 33 GLN HA . . 5.200 4.386 4.124 4.577 . 0 0 "[ . 1 . 2]" 1
614 1 32 ALA MB 1 33 GLN HE22 . . 5.450 3.914 3.502 4.946 . 0 0 "[ . 1 . 2]" 1
615 1 33 GLN H 1 33 GLN HG2 . . 5.030 2.836 2.649 3.170 . 0 0 "[ . 1 . 2]" 1
616 1 33 GLN H 1 33 GLN HG3 . . 4.810 4.062 3.784 4.460 . 0 0 "[ . 1 . 2]" 1
617 1 33 GLN H 1 34 PRO HD2 . . 4.470 3.662 3.412 3.916 . 0 0 "[ . 1 . 2]" 1
618 1 33 GLN H 1 34 PRO HD3 . . 4.630 2.783 2.484 3.144 . 0 0 "[ . 1 . 2]" 1
619 1 33 GLN H 1 35 GLN H . . 5.150 4.779 4.687 4.919 . 0 0 "[ . 1 . 2]" 1
620 1 33 GLN HA 1 33 GLN HG2 . . 4.150 3.505 3.225 3.669 . 0 0 "[ . 1 . 2]" 1
621 1 33 GLN HA 1 34 PRO HB3 . . 5.160 5.176 5.109 5.248 0.088 12 0 "[ . 1 . 2]" 1
622 1 33 GLN HA 1 34 PRO HD2 . . 3.760 2.018 1.942 2.136 . 0 0 "[ . 1 . 2]" 1
623 1 33 GLN HA 1 34 PRO HD3 . . 3.760 2.870 2.769 3.071 . 0 0 "[ . 1 . 2]" 1
624 1 33 GLN HA 1 34 PRO HG2 . . 4.400 4.179 4.098 4.297 . 0 0 "[ . 1 . 2]" 1
625 1 33 GLN HA 1 35 GLN H . . 4.210 3.242 3.093 3.329 . 0 0 "[ . 1 . 2]" 1
626 1 33 GLN QB 1 33 GLN HE22 . . 4.600 3.678 3.335 4.464 . 0 0 "[ . 1 . 2]" 1
627 1 33 GLN QB 1 35 GLN HE21 . . 4.110 2.840 1.855 4.332 0.222 8 0 "[ . 1 . 2]" 1
628 1 33 GLN QB 1 36 ASN HB2 . . 4.990 4.643 3.694 4.911 . 0 0 "[ . 1 . 2]" 1
629 1 33 GLN HG3 1 35 GLN HE21 . . 5.410 4.414 3.245 6.351 0.941 8 5 "[ - . *+*1 .* 2]" 1
630 1 34 PRO HA 1 35 GLN QG . . 5.050 4.832 4.634 5.089 0.039 8 0 "[ . 1 . 2]" 1
631 1 34 PRO HA 1 40 TYR QD . . 5.500 5.178 5.011 5.300 . 0 0 "[ . 1 . 2]" 1
632 1 34 PRO HA 1 40 TYR QE . . 4.340 3.215 2.937 3.403 . 0 0 "[ . 1 . 2]" 1
633 1 34 PRO HD2 1 35 GLN H . . 4.820 3.130 2.979 3.247 . 0 0 "[ . 1 . 2]" 1
634 1 34 PRO HD2 1 35 GLN QG . . 5.240 3.987 3.119 4.417 . 0 0 "[ . 1 . 2]" 1
635 1 34 PRO HD3 1 35 GLN H . . 4.220 4.115 4.003 4.196 . 0 0 "[ . 1 . 2]" 1
636 1 35 GLN H 1 35 GLN HB2 . . 3.720 3.354 2.521 3.583 . 0 0 "[ . 1 . 2]" 1
637 1 35 GLN H 1 35 GLN QG . . 3.380 2.071 1.751 2.443 . 0 0 "[ . 1 . 2]" 1
638 1 35 GLN H 1 36 ASN H . . 3.300 2.954 2.764 3.071 . 0 0 "[ . 1 . 2]" 1
639 1 35 GLN H 1 36 ASN HB2 . . 4.790 4.660 4.456 4.808 0.018 19 0 "[ . 1 . 2]" 1
640 1 35 GLN HA 1 35 GLN QG . . 3.260 3.133 2.516 3.415 0.155 12 0 "[ . 1 . 2]" 1
641 1 35 GLN HA 1 66 TYR QD . . 4.860 2.930 2.706 3.351 . 0 0 "[ . 1 . 2]" 1
642 1 35 GLN HA 1 66 TYR QE . . 3.590 2.610 2.492 2.740 . 0 0 "[ . 1 . 2]" 1
643 1 35 GLN HB3 1 36 ASN HD21 . . 5.500 5.275 4.420 5.563 0.063 19 0 "[ . 1 . 2]" 1
644 1 35 GLN HB3 1 66 TYR QD . . 4.700 4.482 3.781 4.738 0.038 6 0 "[ . 1 . 2]" 1
645 1 35 GLN HB3 1 66 TYR QE . . 4.190 3.969 3.415 4.205 0.015 4 0 "[ . 1 . 2]" 1
646 1 35 GLN QG 1 36 ASN H . . 4.480 3.731 3.172 4.550 0.070 7 0 "[ . 1 . 2]" 1
647 1 35 GLN QG 1 36 ASN HD21 . . 4.550 3.430 2.794 4.593 0.043 3 0 "[ . 1 . 2]" 1
648 1 35 GLN QG 1 36 ASN HD22 . . 5.030 3.299 2.491 5.071 0.041 12 0 "[ . 1 . 2]" 1
649 1 36 ASN H 1 36 ASN HB2 . . 3.830 2.641 2.608 2.711 . 0 0 "[ . 1 . 2]" 1
650 1 36 ASN HA 1 37 PRO HA . . 4.890 4.444 4.394 4.485 . 0 0 "[ . 1 . 2]" 1
651 1 36 ASN HA 1 37 PRO HD2 . . 3.710 2.119 2.056 2.201 . 0 0 "[ . 1 . 2]" 1
652 1 36 ASN HA 1 37 PRO HD3 . . 3.630 2.347 2.297 2.395 . 0 0 "[ . 1 . 2]" 1
653 1 36 ASN HA 1 37 PRO HG2 . . 4.420 4.378 4.333 4.432 0.012 7 0 "[ . 1 . 2]" 1
654 1 36 ASN HA 1 37 PRO HG3 . . 4.460 4.427 4.407 4.447 . 0 0 "[ . 1 . 2]" 1
655 1 36 ASN HA 1 38 VAL H . . 4.570 3.892 3.846 4.013 . 0 0 "[ . 1 . 2]" 1
656 1 36 ASN HA 1 38 VAL QG . . 5.380 4.322 4.157 4.468 . 0 0 "[ . 1 . 2]" 1
657 1 36 ASN HA 1 66 TYR HB2 . . 4.700 3.769 3.614 3.955 . 0 0 "[ . 1 . 2]" 1
658 1 36 ASN HA 1 66 TYR QD . . 5.060 4.211 4.038 4.393 . 0 0 "[ . 1 . 2]" 1
659 1 36 ASN HA 1 72 HIS HE1 . . 5.500 4.223 3.924 4.658 . 0 0 "[ . 1 . 2]" 1
660 1 36 ASN HB2 1 38 VAL QG . . 5.300 3.248 2.805 4.019 . 0 0 "[ . 1 . 2]" 1
661 1 36 ASN HB3 1 37 PRO HD2 . . 3.730 2.797 2.487 3.020 . 0 0 "[ . 1 . 2]" 1
662 1 36 ASN HB3 1 38 VAL QG . . 3.420 2.429 2.254 2.703 . 0 0 "[ . 1 . 2]" 1
663 1 36 ASN HB3 1 39 GLY H . . 4.770 3.865 3.443 4.396 . 0 0 "[ . 1 . 2]" 1
664 1 36 ASN HD21 1 38 VAL QG . . 5.000 4.724 4.403 5.049 0.049 3 0 "[ . 1 . 2]" 1
665 1 37 PRO HA 1 40 TYR H . . 4.280 3.374 3.317 3.449 . 0 0 "[ . 1 . 2]" 1
666 1 37 PRO HA 1 40 TYR HB2 . . 4.660 3.405 3.278 3.599 . 0 0 "[ . 1 . 2]" 1
667 1 37 PRO HA 1 40 TYR QD . . 3.500 1.982 1.903 2.147 . 0 0 "[ . 1 . 2]" 1
668 1 37 PRO HA 1 40 TYR QE . . 3.910 3.400 3.098 3.573 . 0 0 "[ . 1 . 2]" 1
669 1 37 PRO HA 1 63 GLY QA . . 4.610 2.520 2.338 2.718 . 0 0 "[ . 1 . 2]" 1
670 1 37 PRO HA 1 66 TYR HB3 . . 3.870 4.015 3.989 4.036 0.166 14 0 "[ . 1 . 2]" 1
671 1 37 PRO HA 1 66 TYR QD . . 4.320 3.215 3.171 3.280 . 0 0 "[ . 1 . 2]" 1
672 1 37 PRO HA 1 67 THR MG . . 4.330 4.028 3.887 4.128 . 0 0 "[ . 1 . 2]" 1
673 1 37 PRO HA 1 75 ILE MG . . 4.030 4.049 3.996 4.075 0.045 14 0 "[ . 1 . 2]" 1
674 1 37 PRO HA 1 79 LEU QD . . 4.370 3.589 3.312 3.801 . 0 0 "[ . 1 . 2]" 1
675 1 37 PRO HB2 1 40 TYR QD . . 5.170 4.297 4.174 4.390 . 0 0 "[ . 1 . 2]" 1
676 1 37 PRO HB2 1 41 SER HB2 . . 4.190 3.810 3.579 3.954 . 0 0 "[ . 1 . 2]" 1
677 1 37 PRO HB2 1 75 ILE MD . . 5.070 3.301 3.028 3.622 . 0 0 "[ . 1 . 2]" 1
678 1 37 PRO HB2 1 75 ILE MG . . 3.340 1.961 1.919 2.021 . 0 0 "[ . 1 . 2]" 1
679 1 37 PRO HB2 1 79 LEU QD . . 4.750 2.812 2.293 3.093 . 0 0 "[ . 1 . 2]" 1
680 1 37 PRO HB3 1 67 THR MG . . 3.880 2.095 2.044 2.144 . 0 0 "[ . 1 . 2]" 1
681 1 37 PRO HB3 1 75 ILE MG . . 4.460 3.377 3.252 3.516 . 0 0 "[ . 1 . 2]" 1
682 1 37 PRO HB3 1 79 LEU QD . . 4.940 3.505 3.092 3.746 . 0 0 "[ . 1 . 2]" 1
683 1 37 PRO HD2 1 38 VAL H . . 5.070 2.839 2.682 2.931 . 0 0 "[ . 1 . 2]" 1
684 1 37 PRO HD2 1 66 TYR HA . . 5.240 5.364 5.336 5.391 0.151 4 0 "[ . 1 . 2]" 1
685 1 37 PRO HD2 1 66 TYR HB2 . . 4.660 3.968 3.918 4.016 . 0 0 "[ . 1 . 2]" 1
686 1 37 PRO HD2 1 66 TYR HB3 . . 3.210 3.330 3.309 3.348 0.138 19 0 "[ . 1 . 2]" 1
687 1 37 PRO HD2 1 67 THR MG . . 4.780 4.401 4.210 4.490 . 0 0 "[ . 1 . 2]" 1
688 1 37 PRO HD2 1 72 HIS HE1 . . 5.150 2.870 2.700 3.171 . 0 0 "[ . 1 . 2]" 1
689 1 37 PRO HD3 1 38 VAL H . . 4.620 3.923 3.821 3.994 . 0 0 "[ . 1 . 2]" 1
690 1 37 PRO HD3 1 66 TYR QD . . 5.500 4.024 3.999 4.059 . 0 0 "[ . 1 . 2]" 1
691 1 37 PRO HD3 1 67 THR MG . . 5.010 3.664 3.422 3.786 . 0 0 "[ . 1 . 2]" 1
692 1 37 PRO HD3 1 72 HIS HE1 . . 4.750 4.222 3.972 4.515 . 0 0 "[ . 1 . 2]" 1
693 1 37 PRO HG2 1 67 THR HA . . 5.130 4.511 4.086 4.820 . 0 0 "[ . 1 . 2]" 1
694 1 37 PRO HG2 1 67 THR MG . . 3.730 3.185 3.096 3.254 . 0 0 "[ . 1 . 2]" 1
695 1 37 PRO HG2 1 72 HIS HD2 . . 4.970 4.848 4.634 4.983 0.013 10 0 "[ . 1 . 2]" 1
696 1 37 PRO HG2 1 72 HIS HE1 . . 4.710 3.900 3.707 4.068 . 0 0 "[ . 1 . 2]" 1
697 1 37 PRO HG3 1 72 HIS HE1 . . 5.270 4.165 4.046 4.391 . 0 0 "[ . 1 . 2]" 1
698 1 38 VAL H 1 38 VAL HB . . 3.140 2.458 2.379 2.625 . 0 0 "[ . 1 . 2]" 1
699 1 38 VAL H 1 38 VAL QG . . 3.570 2.085 1.866 2.214 . 0 0 "[ . 1 . 2]" 1
700 1 38 VAL H 1 39 GLY H . . 3.710 2.617 2.559 2.744 . 0 0 "[ . 1 . 2]" 1
701 1 38 VAL H 1 40 TYR H . . 4.670 3.979 3.874 4.086 . 0 0 "[ . 1 . 2]" 1
702 1 38 VAL H 1 75 ILE MD . . 4.720 3.576 3.403 3.729 . 0 0 "[ . 1 . 2]" 1
703 1 38 VAL HA 1 38 VAL QG . . 3.310 2.205 2.117 2.258 . 0 0 "[ . 1 . 2]" 1
704 1 38 VAL HA 1 40 TYR H . . 4.820 3.593 3.503 3.702 . 0 0 "[ . 1 . 2]" 1
705 1 38 VAL HA 1 41 SER H . . 4.160 3.211 2.745 3.549 . 0 0 "[ . 1 . 2]" 1
706 1 38 VAL HA 1 41 SER HB3 . . 4.260 2.174 2.100 2.339 . 0 0 "[ . 1 . 2]" 1
707 1 38 VAL HA 1 42 ASN H . . 4.840 4.845 4.613 4.901 0.061 3 0 "[ . 1 . 2]" 1
708 1 38 VAL HA 1 75 ILE HG12 . . 5.250 4.493 4.272 4.661 . 0 0 "[ . 1 . 2]" 1
709 1 38 VAL HA 1 75 ILE MG . . 4.000 3.443 3.166 3.726 . 0 0 "[ . 1 . 2]" 1
710 1 38 VAL HB 1 39 GLY H . . 3.910 3.613 2.412 3.984 0.074 11 0 "[ . 1 . 2]" 1
711 1 38 VAL QG 1 39 GLY H . . 4.520 2.524 2.171 3.278 . 0 0 "[ . 1 . 2]" 1
712 1 38 VAL QG 1 39 GLY HA2 . . 5.500 3.353 3.139 3.925 . 0 0 "[ . 1 . 2]" 1
713 1 38 VAL QG 1 41 SER HB2 . . 4.310 3.875 3.506 4.170 . 0 0 "[ . 1 . 2]" 1
714 1 38 VAL QG 1 41 SER HB3 . . 5.420 2.887 2.599 3.314 . 0 0 "[ . 1 . 2]" 1
715 1 38 VAL QG 1 42 ASN HB2 . . 5.330 4.323 4.091 4.481 . 0 0 "[ . 1 . 2]" 1
716 1 39 GLY H 1 40 TYR H . . 3.970 2.676 2.595 2.775 . 0 0 "[ . 1 . 2]" 1
717 1 39 GLY H 1 41 SER H . . 5.060 4.113 3.800 4.336 . 0 0 "[ . 1 . 2]" 1
718 1 40 TYR H 1 40 TYR QD . . 4.230 2.242 2.056 2.421 . 0 0 "[ . 1 . 2]" 1
719 1 40 TYR H 1 41 SER H . . 4.020 2.280 1.868 2.487 . 0 0 "[ . 1 . 2]" 1
720 1 40 TYR HA 1 40 TYR QD . . 3.880 3.230 3.085 3.374 . 0 0 "[ . 1 . 2]" 1
721 1 40 TYR HB2 1 59 MET HA . . 5.430 5.580 5.172 5.926 0.496 13 0 "[ . 1 . 2]" 1
722 1 40 TYR HB2 1 60 CYS HA . . 5.460 4.177 4.112 4.234 . 0 0 "[ . 1 . 2]" 1
723 1 40 TYR HB2 1 63 GLY QA . . 4.620 2.149 2.009 2.436 . 0 0 "[ . 1 . 2]" 1
724 1 40 TYR HB2 1 79 LEU QD . . 3.440 2.246 2.060 2.609 . 0 0 "[ . 1 . 2]" 1
725 1 40 TYR HB3 1 41 SER H . . 4.320 4.443 4.057 4.581 0.261 16 0 "[ . 1 . 2]" 1
726 1 40 TYR HB3 1 44 ALA MB . . 3.650 2.926 2.780 3.151 . 0 0 "[ . 1 . 2]" 1
727 1 40 TYR HB3 1 60 CYS HA . . 3.980 3.602 3.447 3.774 . 0 0 "[ . 1 . 2]" 1
728 1 40 TYR HB3 1 63 GLY H . . 5.130 3.810 3.359 4.203 . 0 0 "[ . 1 . 2]" 1
729 1 40 TYR HB3 1 63 GLY QA . . 4.900 3.096 2.941 3.281 . 0 0 "[ . 1 . 2]" 1
730 1 40 TYR QD 1 44 ALA MB . . 5.470 4.237 3.993 4.570 . 0 0 "[ . 1 . 2]" 1
731 1 40 TYR QD 1 59 MET HA . . 4.060 2.705 2.269 2.979 . 0 0 "[ . 1 . 2]" 1
732 1 40 TYR QD 1 59 MET HB2 . . 5.420 4.070 3.889 4.574 . 0 0 "[ . 1 . 2]" 1
733 1 40 TYR QD 1 59 MET HB3 . . 5.440 2.790 2.273 4.432 . 0 0 "[ . 1 . 2]" 1
734 1 40 TYR QD 1 59 MET ME . . 4.340 2.102 1.985 2.673 . 0 0 "[ . 1 . 2]" 1
735 1 40 TYR QD 1 59 MET QG . . 5.500 3.607 2.008 4.419 . 0 0 "[ . 1 . 2]" 1
736 1 40 TYR QD 1 62 GLN HB2 . . 4.320 2.805 2.375 3.165 . 0 0 "[ . 1 . 2]" 1
737 1 40 TYR QD 1 62 GLN HB3 . . 4.930 3.783 3.311 4.343 . 0 0 "[ . 1 . 2]" 1
738 1 40 TYR QD 1 62 GLN HG3 . . 5.370 4.592 4.181 5.236 . 0 0 "[ . 1 . 2]" 1
739 1 40 TYR QD 1 63 GLY H . . 5.400 3.972 3.562 4.293 . 0 0 "[ . 1 . 2]" 1
740 1 40 TYR QD 1 63 GLY QA . . 4.190 2.725 2.573 3.010 . 0 0 "[ . 1 . 2]" 1
741 1 40 TYR QD 1 66 TYR QE . . 4.810 4.832 4.773 4.879 0.069 18 0 "[ . 1 . 2]" 1
742 1 40 TYR QD 1 79 LEU QD . . 4.620 3.741 3.556 3.984 . 0 0 "[ . 1 . 2]" 1
743 1 40 TYR QE 1 59 MET HA . . 4.510 3.762 3.516 4.157 . 0 0 "[ . 1 . 2]" 1
744 1 40 TYR QE 1 59 MET ME . . 4.410 2.155 2.048 2.378 . 0 0 "[ . 1 . 2]" 1
745 1 40 TYR QE 1 62 GLN HB2 . . 4.800 2.785 2.523 3.163 . 0 0 "[ . 1 . 2]" 1
746 1 40 TYR QE 1 62 GLN HB3 . . 4.870 2.569 2.322 2.820 . 0 0 "[ . 1 . 2]" 1
747 1 40 TYR QE 1 63 GLY QA . . 4.320 3.431 3.158 3.702 . 0 0 "[ . 1 . 2]" 1
748 1 40 TYR QE 1 66 TYR QE . . 3.980 3.360 3.100 3.549 . 0 0 "[ . 1 . 2]" 1
749 1 41 SER H 1 41 SER HB2 . . 4.110 2.854 2.390 3.096 . 0 0 "[ . 1 . 2]" 1
750 1 41 SER H 1 79 LEU QD . . 4.260 3.690 3.129 3.954 . 0 0 "[ . 1 . 2]" 1
751 1 41 SER HA 1 44 ALA MB . . 3.760 2.852 2.566 3.492 . 0 0 "[ . 1 . 2]" 1
752 1 41 SER HA 1 79 LEU QD . . 3.750 2.157 1.938 2.380 . 0 0 "[ . 1 . 2]" 1
753 1 41 SER HB2 1 42 ASN H . . 4.450 4.343 4.233 4.424 . 0 0 "[ . 1 . 2]" 1
754 1 41 SER HB2 1 75 ILE MG . . 3.840 2.190 2.100 2.416 . 0 0 "[ . 1 . 2]" 1
755 1 41 SER HB2 1 79 LEU QD . . 4.780 2.667 2.324 3.185 . 0 0 "[ . 1 . 2]" 1
756 1 41 SER HB3 1 79 LEU QD . . 5.080 3.904 3.681 4.271 . 0 0 "[ . 1 . 2]" 1
757 1 42 ASN H 1 42 ASN HB2 . . 3.680 2.619 2.544 2.664 . 0 0 "[ . 1 . 2]" 1
758 1 42 ASN H 1 42 ASN HB3 . . 3.860 3.757 3.724 3.780 . 0 0 "[ . 1 . 2]" 1
759 1 42 ASN H 1 44 ALA H . . 5.000 2.981 2.733 3.317 . 0 0 "[ . 1 . 2]" 1
760 1 42 ASN HA 1 44 ALA H . . 4.870 4.378 4.215 4.493 . 0 0 "[ . 1 . 2]" 1
761 1 42 ASN HA 1 45 MET H . . 4.110 3.566 3.493 3.648 . 0 0 "[ . 1 . 2]" 1
762 1 42 ASN HA 1 45 MET QB . . 3.740 2.634 2.412 2.918 . 0 0 "[ . 1 . 2]" 1
763 1 42 ASN HA 1 46 ALA H . . 4.650 4.696 4.669 4.729 0.079 10 0 "[ . 1 . 2]" 1
764 1 43 LYS H 1 43 LYS HB2 . . 3.530 2.483 2.350 3.606 0.076 20 0 "[ . 1 . 2]" 1
765 1 43 LYS H 1 44 ALA H . . 3.460 2.447 2.352 2.531 . 0 0 "[ . 1 . 2]" 1
766 1 43 LYS H 1 45 MET H . . 4.710 3.878 3.795 3.987 . 0 0 "[ . 1 . 2]" 1
767 1 43 LYS HA 1 46 ALA MB . . 4.630 2.642 2.282 2.790 . 0 0 "[ . 1 . 2]" 1
768 1 43 LYS HB2 1 44 ALA H . . 3.540 3.696 3.655 3.739 0.199 19 0 "[ . 1 . 2]" 1
769 1 43 LYS HB3 1 44 ALA H . . 4.510 2.552 2.314 4.099 . 0 0 "[ . 1 . 2]" 1
770 1 44 ALA H 1 44 ALA MB . . 3.210 2.209 2.192 2.235 . 0 0 "[ . 1 . 2]" 1
771 1 44 ALA H 1 45 MET H . . 3.640 2.834 2.759 2.887 . 0 0 "[ . 1 . 2]" 1
772 1 44 ALA HA 1 47 LEU HB2 . . 4.810 4.078 3.284 4.773 . 0 0 "[ . 1 . 2]" 1
773 1 44 ALA HA 1 48 ILE HG12 . . 5.500 4.865 4.565 5.221 . 0 0 "[ . 1 . 2]" 1
774 1 44 ALA HA 1 48 ILE MG . . 4.180 3.799 3.334 4.217 0.037 10 0 "[ . 1 . 2]" 1
775 1 44 ALA MB 1 45 MET H . . 3.800 3.372 3.317 3.424 . 0 0 "[ . 1 . 2]" 1
776 1 44 ALA MB 1 45 MET ME . . 5.500 3.838 3.087 5.522 0.022 16 0 "[ . 1 . 2]" 1
777 1 44 ALA MB 1 46 ALA H . . 5.360 4.694 4.602 4.809 . 0 0 "[ . 1 . 2]" 1
778 1 44 ALA MB 1 59 MET H . . 5.160 4.645 3.777 5.154 . 0 0 "[ . 1 . 2]" 1
779 1 44 ALA MB 1 59 MET HA . . 5.310 4.802 4.272 5.314 0.004 19 0 "[ . 1 . 2]" 1
780 1 44 ALA MB 1 59 MET HB2 . . 4.810 3.227 2.214 4.317 . 0 0 "[ . 1 . 2]" 1
781 1 44 ALA MB 1 59 MET HB3 . . 4.360 3.036 2.153 3.766 . 0 0 "[ . 1 . 2]" 1
782 1 44 ALA MB 1 59 MET ME . . 5.500 4.989 4.565 5.434 . 0 0 "[ . 1 . 2]" 1
783 1 44 ALA MB 1 59 MET QG . . 4.940 3.824 2.156 4.777 . 0 0 "[ . 1 . 2]" 1
784 1 44 ALA MB 1 60 CYS HA . . 4.470 3.137 2.685 3.333 . 0 0 "[ . 1 . 2]" 1
785 1 44 ALA MB 1 60 CYS HB3 . . 5.290 4.306 3.859 4.511 . 0 0 "[ . 1 . 2]" 1
786 1 45 MET H 1 45 MET QB . . 3.450 2.606 2.570 2.643 . 0 0 "[ . 1 . 2]" 1
787 1 45 MET H 1 45 MET QG . . 4.740 4.044 2.961 4.327 . 0 0 "[ . 1 . 2]" 1
788 1 45 MET H 1 46 ALA H . . 3.710 1.839 1.796 1.887 . 0 0 "[ . 1 . 2]" 1
789 1 45 MET HA 1 48 ILE MD . . 3.690 2.349 2.193 2.550 . 0 0 "[ . 1 . 2]" 1
790 1 45 MET HA 1 48 ILE HG12 . . 4.160 2.190 2.122 2.314 . 0 0 "[ . 1 . 2]" 1
791 1 45 MET HA 1 48 ILE MG . . 4.440 3.277 3.087 3.492 . 0 0 "[ . 1 . 2]" 1
792 1 45 MET HA 1 49 LYS H . . 4.880 4.939 4.909 4.996 0.116 17 0 "[ . 1 . 2]" 1
793 1 45 MET HA 1 49 LYS QE . . 4.340 4.404 4.342 4.443 0.103 18 0 "[ . 1 . 2]" 1
794 1 45 MET QB 1 46 ALA H . . 3.690 3.438 3.140 3.521 . 0 0 "[ . 1 . 2]" 1
795 1 45 MET ME 1 78 LYS QE . . 4.920 2.653 2.250 4.144 . 0 0 "[ . 1 . 2]" 1
796 1 45 MET QG 1 48 ILE MD . . 5.120 2.797 2.229 4.289 . 0 0 "[ . 1 . 2]" 1
797 1 45 MET QG 1 48 ILE HG12 . . 5.330 4.114 3.555 5.080 . 0 0 "[ . 1 . 2]" 1
798 1 45 MET QG 1 78 LYS QE . . 4.510 4.551 4.530 4.570 0.060 13 0 "[ . 1 . 2]" 1
799 1 46 ALA H 1 46 ALA MB . . 3.390 2.460 2.350 2.505 . 0 0 "[ . 1 . 2]" 1
800 1 46 ALA H 1 47 LEU H . . 3.500 1.903 1.794 2.152 . 0 0 "[ . 1 . 2]" 1
801 1 46 ALA H 1 48 ILE H . . 5.210 3.368 3.110 3.843 . 0 0 "[ . 1 . 2]" 1
802 1 46 ALA HA 1 49 LYS H . . 4.070 3.055 2.879 3.208 . 0 0 "[ . 1 . 2]" 1
803 1 46 ALA HA 1 49 LYS HB2 . . 4.470 2.100 1.992 2.184 . 0 0 "[ . 1 . 2]" 1
804 1 46 ALA HA 1 49 LYS HD2 . . 3.170 3.217 3.172 3.259 0.089 20 0 "[ . 1 . 2]" 1
805 1 46 ALA MB 1 47 LEU H . . 3.680 2.927 2.843 3.044 . 0 0 "[ . 1 . 2]" 1
806 1 46 ALA MB 1 49 LYS HD2 . . 4.590 4.477 4.349 4.589 . 0 0 "[ . 1 . 2]" 1
807 1 46 ALA MB 1 50 LEU QD . . 4.780 3.997 3.304 4.322 . 0 0 "[ . 1 . 2]" 1
808 1 47 LEU H 1 47 LEU QD . . 4.060 3.454 3.201 3.715 . 0 0 "[ . 1 . 2]" 1
809 1 47 LEU H 1 47 LEU HG . . 4.360 3.478 2.515 4.417 0.057 14 0 "[ . 1 . 2]" 1
810 1 47 LEU H 1 48 ILE HA . . 5.500 5.132 4.995 5.293 . 0 0 "[ . 1 . 2]" 1
811 1 47 LEU H 1 48 ILE MG . . 5.280 4.030 3.923 4.176 . 0 0 "[ . 1 . 2]" 1
812 1 47 LEU HA 1 47 LEU QD . . 3.370 2.021 1.976 2.059 . 0 0 "[ . 1 . 2]" 1
813 1 47 LEU HA 1 50 LEU H . . 4.120 3.925 3.590 4.152 0.032 4 0 "[ . 1 . 2]" 1
814 1 47 LEU HA 1 50 LEU HB2 . . 4.490 3.657 3.201 4.028 . 0 0 "[ . 1 . 2]" 1
815 1 47 LEU HA 1 50 LEU QD . . 3.570 2.895 2.213 3.574 0.004 20 0 "[ . 1 . 2]" 1
816 1 47 LEU HB2 1 48 ILE H . . 4.620 3.373 2.603 4.054 . 0 0 "[ . 1 . 2]" 1
817 1 47 LEU HB3 1 48 ILE H . . 4.920 3.234 2.824 3.726 . 0 0 "[ . 1 . 2]" 1
818 1 47 LEU QD 1 48 ILE H . . 4.930 4.132 4.073 4.217 . 0 0 "[ . 1 . 2]" 1
819 1 47 LEU QD 1 52 GLU H . . 4.330 4.149 3.870 4.368 0.038 2 0 "[ . 1 . 2]" 1
820 1 47 LEU QD 1 52 GLU HA . . 4.770 4.678 4.501 4.781 0.011 15 0 "[ . 1 . 2]" 1
821 1 47 LEU QD 1 52 GLU HB3 . . 4.390 2.998 2.661 3.392 . 0 0 "[ . 1 . 2]" 1
822 1 47 LEU QD 1 52 GLU HG2 . . 4.400 4.288 4.074 4.436 0.036 20 0 "[ . 1 . 2]" 1
823 1 47 LEU QD 1 52 GLU HG3 . . 4.410 3.747 3.481 4.073 . 0 0 "[ . 1 . 2]" 1
824 1 47 LEU QD 1 55 GLN H . . 4.720 3.913 3.736 4.235 . 0 0 "[ . 1 . 2]" 1
825 1 47 LEU QD 1 55 GLN HA . . 4.520 3.830 3.654 4.023 . 0 0 "[ . 1 . 2]" 1
826 1 47 LEU QD 1 55 GLN HB2 . . 3.890 2.283 2.022 2.605 . 0 0 "[ . 1 . 2]" 1
827 1 47 LEU QD 1 55 GLN HB3 . . 4.100 2.171 2.035 2.546 . 0 0 "[ . 1 . 2]" 1
828 1 47 LEU QD 1 55 GLN HE22 . . 5.090 4.652 3.981 5.399 0.309 7 0 "[ . 1 . 2]" 1
829 1 47 LEU QD 1 55 GLN HG2 . . 4.300 3.621 3.198 4.044 . 0 0 "[ . 1 . 2]" 1
830 1 47 LEU QD 1 55 GLN HG3 . . 5.500 4.059 3.808 4.554 . 0 0 "[ . 1 . 2]" 1
831 1 47 LEU QD 1 56 ALA HA . . 3.360 2.418 2.086 2.904 . 0 0 "[ . 1 . 2]" 1
832 1 47 LEU QD 1 56 ALA MB . . 3.640 3.060 2.749 3.335 . 0 0 "[ . 1 . 2]" 1
833 1 47 LEU QD 1 59 MET H . . 4.660 4.577 4.194 4.690 0.030 3 0 "[ . 1 . 2]" 1
834 1 47 LEU QD 1 59 MET HB2 . . 3.670 3.559 3.004 3.897 0.227 6 0 "[ . 1 . 2]" 1
835 1 47 LEU QD 1 59 MET HB3 . . 4.230 4.225 3.244 4.625 0.395 4 0 "[ . 1 . 2]" 1
836 1 47 LEU QD 1 59 MET ME . . 4.910 4.510 4.029 4.731 . 0 0 "[ . 1 . 2]" 1
837 1 47 LEU QD 1 59 MET QG . . 4.000 2.612 2.087 3.936 . 0 0 "[ . 1 . 2]" 1
838 1 47 LEU HG 1 48 ILE H . . 5.010 4.336 4.047 4.608 . 0 0 "[ . 1 . 2]" 1
839 1 47 LEU HG 1 56 ALA MB . . 5.050 3.680 2.454 4.836 . 0 0 "[ . 1 . 2]" 1
840 1 48 ILE H 1 48 ILE HB . . 3.670 3.597 3.579 3.613 . 0 0 "[ . 1 . 2]" 1
841 1 48 ILE H 1 48 ILE MD . . 4.020 3.703 3.658 3.750 . 0 0 "[ . 1 . 2]" 1
842 1 48 ILE H 1 48 ILE HG12 . . 4.180 1.996 1.925 2.072 . 0 0 "[ . 1 . 2]" 1
843 1 48 ILE H 1 48 ILE MG . . 3.610 2.248 2.144 2.340 . 0 0 "[ . 1 . 2]" 1
844 1 48 ILE H 1 49 LYS H . . 3.960 2.529 2.425 2.621 . 0 0 "[ . 1 . 2]" 1
845 1 48 ILE H 1 56 ALA MB . . 4.460 3.113 2.806 3.394 . 0 0 "[ . 1 . 2]" 1
846 1 48 ILE HA 1 48 ILE HG12 . . 3.500 3.755 3.732 3.773 0.273 20 0 "[ . 1 . 2]" 1
847 1 48 ILE HA 1 48 ILE HG13 . . 4.190 3.638 3.613 3.661 . 0 0 "[ . 1 . 2]" 1
848 1 48 ILE HA 1 48 ILE MG . . 3.240 2.299 2.285 2.313 . 0 0 "[ . 1 . 2]" 1
849 1 48 ILE HA 1 51 GLY H . . 4.350 3.486 3.249 3.653 . 0 0 "[ . 1 . 2]" 1
850 1 48 ILE HA 1 51 GLY HA2 . . 4.820 4.503 4.036 4.774 . 0 0 "[ . 1 . 2]" 1
851 1 48 ILE HA 1 52 GLU H . . 5.160 3.847 3.373 4.102 . 0 0 "[ . 1 . 2]" 1
852 1 48 ILE HA 1 53 TYR QE . . 3.890 3.793 3.375 3.951 0.061 4 0 "[ . 1 . 2]" 1
853 1 48 ILE HA 1 56 ALA MB . . 3.730 3.190 2.802 3.555 . 0 0 "[ . 1 . 2]" 1
854 1 48 ILE HB 1 49 LYS H . . 4.230 3.898 3.850 3.935 . 0 0 "[ . 1 . 2]" 1
855 1 48 ILE HB 1 51 GLY H . . 5.130 4.926 4.809 5.201 0.071 10 0 "[ . 1 . 2]" 1
856 1 48 ILE HB 1 56 ALA MB . . 4.480 4.201 4.028 4.495 0.015 20 0 "[ . 1 . 2]" 1
857 1 48 ILE MD 1 49 LYS H . . 3.850 3.844 3.807 3.866 0.016 7 0 "[ . 1 . 2]" 1
858 1 48 ILE MD 1 49 LYS HA . . 3.670 3.849 3.827 3.868 0.198 15 0 "[ . 1 . 2]" 1
859 1 48 ILE MD 1 49 LYS HB2 . . 4.460 3.974 3.849 4.055 . 0 0 "[ . 1 . 2]" 1
860 1 48 ILE MD 1 49 LYS QE . . 4.050 2.096 1.904 2.331 . 0 0 "[ . 1 . 2]" 1
861 1 48 ILE MD 1 82 ARG QD . . 4.120 2.663 2.104 3.272 . 0 0 "[ . 1 . 2]" 1
862 1 48 ILE HG12 1 49 LYS HA . . 4.860 4.801 4.730 4.908 0.048 10 0 "[ . 1 . 2]" 1
863 1 48 ILE HG12 1 49 LYS HB2 . . 3.950 3.991 3.913 4.031 0.081 1 0 "[ . 1 . 2]" 1
864 1 48 ILE HG12 1 53 TYR QE . . 5.500 5.220 4.976 5.481 . 0 0 "[ . 1 . 2]" 1
865 1 48 ILE HG13 1 49 LYS QE . . 4.610 1.970 1.833 2.163 . 0 0 "[ . 1 . 2]" 1
866 1 48 ILE MG 1 49 LYS H . . 4.020 4.021 3.993 4.032 0.012 14 0 "[ . 1 . 2]" 1
867 1 48 ILE MG 1 53 TYR HA . . 4.880 2.690 2.226 3.055 . 0 0 "[ . 1 . 2]" 1
868 1 48 ILE MG 1 53 TYR QD . . 3.470 2.383 2.176 2.807 . 0 0 "[ . 1 . 2]" 1
869 1 48 ILE MG 1 53 TYR QE . . 3.250 3.079 2.770 3.278 0.028 11 0 "[ . 1 . 2]" 1
870 1 48 ILE MG 1 56 ALA MB . . 3.430 1.949 1.874 2.127 . 0 0 "[ . 1 . 2]" 1
871 1 49 LYS H 1 49 LYS HB2 . . 3.990 2.094 2.054 2.158 . 0 0 "[ . 1 . 2]" 1
872 1 49 LYS H 1 49 LYS QE . . 5.450 3.044 2.956 3.169 . 0 0 "[ . 1 . 2]" 1
873 1 49 LYS H 1 51 GLY H . . 4.640 4.096 3.817 4.278 . 0 0 "[ . 1 . 2]" 1
874 1 49 LYS HA 1 49 LYS HD2 . . 3.680 3.649 3.567 3.726 0.046 18 0 "[ . 1 . 2]" 1
875 1 49 LYS HA 1 49 LYS QE . . 4.530 1.889 1.808 1.975 . 0 0 "[ . 1 . 2]" 1
876 1 49 LYS HA 1 51 GLY H . . 4.500 4.109 3.741 4.410 . 0 0 "[ . 1 . 2]" 1
877 1 49 LYS HB2 1 49 LYS QE . . 4.650 2.581 2.456 2.748 . 0 0 "[ . 1 . 2]" 1
878 1 49 LYS QE 1 49 LYS HG2 . . 3.440 3.444 3.342 3.498 0.058 19 0 "[ . 1 . 2]" 1
879 1 49 LYS QE 1 49 LYS HG3 . . 3.730 2.773 2.468 2.918 . 0 0 "[ . 1 . 2]" 1
880 1 50 LEU H 1 50 LEU QD . . 4.420 3.225 2.139 3.895 . 0 0 "[ . 1 . 2]" 1
881 1 50 LEU H 1 51 GLY H . . 3.630 2.008 1.799 2.306 . 0 0 "[ . 1 . 2]" 1
882 1 50 LEU H 1 51 GLY HA2 . . 4.740 4.384 4.144 4.691 . 0 0 "[ . 1 . 2]" 1
883 1 50 LEU HA 1 50 LEU QD . . 2.980 2.039 2.021 2.071 . 0 0 "[ . 1 . 2]" 1
884 1 50 LEU HA 1 52 GLU HG3 . . 5.420 5.131 4.695 5.425 0.005 1 0 "[ . 1 . 2]" 1
885 1 50 LEU HB2 1 51 GLY H . . 4.810 3.414 2.676 4.285 . 0 0 "[ . 1 . 2]" 1
886 1 50 LEU HB2 1 52 GLU HG3 . . 4.870 3.090 2.440 4.880 0.010 10 0 "[ . 1 . 2]" 1
887 1 50 LEU HB3 1 52 GLU HG3 . . 5.110 3.192 2.807 3.547 . 0 0 "[ . 1 . 2]" 1
888 1 50 LEU QD 1 51 GLY H . . 5.500 4.246 3.654 4.450 . 0 0 "[ . 1 . 2]" 1
889 1 50 LEU QD 1 52 GLU HG3 . . 4.690 3.872 3.438 4.189 . 0 0 "[ . 1 . 2]" 1
890 1 51 GLY HA2 1 53 TYR H . . 4.780 3.552 3.455 3.767 . 0 0 "[ . 1 . 2]" 1
891 1 51 GLY HA2 1 53 TYR QD . . 4.800 2.960 2.480 3.464 . 0 0 "[ . 1 . 2]" 1
892 1 51 GLY HA2 1 53 TYR QE . . 5.140 2.524 2.265 3.085 . 0 0 "[ . 1 . 2]" 1
893 1 52 GLU H 1 52 GLU HB2 . . 3.950 2.558 2.401 2.943 . 0 0 "[ . 1 . 2]" 1
894 1 52 GLU H 1 52 GLU HB3 . . 4.030 3.639 3.578 3.873 . 0 0 "[ . 1 . 2]" 1
895 1 52 GLU H 1 52 GLU HG2 . . 4.130 3.426 3.156 3.638 . 0 0 "[ . 1 . 2]" 1
896 1 52 GLU H 1 52 GLU HG3 . . 4.140 2.345 2.095 2.707 . 0 0 "[ . 1 . 2]" 1
897 1 52 GLU H 1 53 TYR H . . 3.930 3.351 2.876 3.486 . 0 0 "[ . 1 . 2]" 1
898 1 52 GLU HA 1 52 GLU HG2 . . 3.390 2.486 2.354 2.648 . 0 0 "[ . 1 . 2]" 1
899 1 52 GLU HA 1 52 GLU HG3 . . 3.380 3.177 3.014 3.359 . 0 0 "[ . 1 . 2]" 1
900 1 52 GLU HA 1 53 TYR H . . 3.090 2.747 2.674 2.804 . 0 0 "[ . 1 . 2]" 1
901 1 52 GLU HA 1 53 TYR HB2 . . 4.860 4.813 4.676 4.884 0.024 5 0 "[ . 1 . 2]" 1
902 1 52 GLU HA 1 55 GLN HE21 . . 4.870 3.848 3.123 4.649 . 0 0 "[ . 1 . 2]" 1
903 1 52 GLU HA 1 55 GLN HE22 . . 5.300 3.718 2.890 4.681 . 0 0 "[ . 1 . 2]" 1
904 1 52 GLU HB2 1 55 GLN HG2 . . 4.970 5.058 4.992 5.155 0.185 12 0 "[ . 1 . 2]" 1
905 1 52 GLU HB3 1 53 TYR H . . 4.890 4.493 4.458 4.524 . 0 0 "[ . 1 . 2]" 1
906 1 52 GLU HG3 1 53 TYR H . . 5.500 5.064 4.926 5.174 . 0 0 "[ . 1 . 2]" 1
907 1 52 GLU HG3 1 55 GLN HE22 . . 5.350 4.718 4.533 5.226 . 0 0 "[ . 1 . 2]" 1
908 1 53 TYR H 1 53 TYR HB2 . . 3.500 2.448 2.313 2.538 . 0 0 "[ . 1 . 2]" 1
909 1 53 TYR H 1 53 TYR HB3 . . 3.630 3.571 3.555 3.585 . 0 0 "[ . 1 . 2]" 1
910 1 53 TYR H 1 54 THR H . . 3.330 2.766 2.729 2.842 . 0 0 "[ . 1 . 2]" 1
911 1 53 TYR H 1 54 THR HB . . 4.860 4.934 4.913 4.968 0.108 8 0 "[ . 1 . 2]" 1
912 1 53 TYR H 1 55 GLN H . . 4.470 4.296 4.176 4.426 . 0 0 "[ . 1 . 2]" 1
913 1 53 TYR H 1 56 ALA MB . . 4.410 4.439 4.397 4.464 0.054 3 0 "[ . 1 . 2]" 1
914 1 53 TYR H 1 90 VAL QG . . 4.130 3.751 2.602 4.148 0.018 2 0 "[ . 1 . 2]" 1
915 1 53 TYR HA 1 53 TYR QD . . 3.240 2.855 2.570 3.130 . 0 0 "[ . 1 . 2]" 1
916 1 53 TYR HA 1 56 ALA H . . 3.860 3.017 2.826 3.221 . 0 0 "[ . 1 . 2]" 1
917 1 53 TYR HA 1 56 ALA MB . . 3.480 2.198 2.101 2.324 . 0 0 "[ . 1 . 2]" 1
918 1 53 TYR HB2 1 54 THR H . . 3.940 2.837 2.634 2.955 . 0 0 "[ . 1 . 2]" 1
919 1 53 TYR HB2 1 54 THR HB . . 5.480 5.204 4.926 5.371 . 0 0 "[ . 1 . 2]" 1
920 1 53 TYR HB2 1 56 ALA H . . 5.400 5.191 5.132 5.267 . 0 0 "[ . 1 . 2]" 1
921 1 53 TYR HB2 1 56 ALA MB . . 4.670 4.657 4.599 4.709 0.039 6 0 "[ . 1 . 2]" 1
922 1 53 TYR HB2 1 86 ALA MB . . 4.880 3.912 3.431 4.424 . 0 0 "[ . 1 . 2]" 1
923 1 53 TYR HB2 1 89 ALA MB . . 4.970 4.399 4.043 4.791 . 0 0 "[ . 1 . 2]" 1
924 1 53 TYR HB2 1 90 VAL HA . . 4.340 2.403 2.108 3.033 . 0 0 "[ . 1 . 2]" 1
925 1 53 TYR HB2 1 90 VAL HB . . 4.410 2.781 2.129 3.485 . 0 0 "[ . 1 . 2]" 1
926 1 53 TYR HB2 1 90 VAL QG . . 4.070 2.403 2.190 2.536 . 0 0 "[ . 1 . 2]" 1
927 1 53 TYR HB3 1 54 THR H . . 3.970 3.785 3.661 3.883 . 0 0 "[ . 1 . 2]" 1
928 1 53 TYR HB3 1 57 ILE MD . . 4.710 3.326 2.800 4.283 . 0 0 "[ . 1 . 2]" 1
929 1 53 TYR HB3 1 86 ALA HA . . 3.900 3.328 2.608 3.907 0.007 14 0 "[ . 1 . 2]" 1
930 1 53 TYR HB3 1 86 ALA MB . . 3.770 2.405 2.126 2.867 . 0 0 "[ . 1 . 2]" 1
931 1 53 TYR HB3 1 89 ALA MB . . 4.500 4.095 3.646 4.507 0.007 14 0 "[ . 1 . 2]" 1
932 1 53 TYR HB3 1 90 VAL HA . . 4.310 3.610 2.870 4.315 0.005 4 0 "[ . 1 . 2]" 1
933 1 53 TYR HB3 1 90 VAL QG . . 4.000 3.298 2.708 3.757 . 0 0 "[ . 1 . 2]" 1
934 1 53 TYR QD 1 56 ALA MB . . 3.900 3.513 3.154 3.896 . 0 0 "[ . 1 . 2]" 1
935 1 53 TYR QD 1 86 ALA HA . . 3.660 2.966 2.355 3.530 . 0 0 "[ . 1 . 2]" 1
936 1 53 TYR QD 1 86 ALA MB . . 3.790 2.685 2.289 3.220 . 0 0 "[ . 1 . 2]" 1
937 1 53 TYR QD 1 89 ALA MB . . 3.910 3.352 2.969 3.682 . 0 0 "[ . 1 . 2]" 1
938 1 53 TYR QD 1 90 VAL H . . 5.090 4.561 4.226 4.930 . 0 0 "[ . 1 . 2]" 1
939 1 53 TYR QD 1 90 VAL HA . . 4.310 2.882 2.257 3.648 . 0 0 "[ . 1 . 2]" 1
940 1 53 TYR QD 1 90 VAL HB . . 4.990 4.179 3.506 4.492 . 0 0 "[ . 1 . 2]" 1
941 1 53 TYR QD 1 90 VAL QG . . 4.000 3.652 2.521 4.014 0.014 14 0 "[ . 1 . 2]" 1
942 1 53 TYR QE 1 89 ALA MB . . 3.740 3.068 2.624 3.749 0.009 7 0 "[ . 1 . 2]" 1
943 1 54 THR H 1 54 THR HB . . 3.240 2.452 2.355 2.495 . 0 0 "[ . 1 . 2]" 1
944 1 54 THR H 1 54 THR MG . . 3.930 3.722 3.712 3.734 . 0 0 "[ . 1 . 2]" 1
945 1 54 THR H 1 55 GLN H . . 3.460 2.716 2.640 2.809 . 0 0 "[ . 1 . 2]" 1
946 1 54 THR H 1 57 ILE MD . . 4.800 4.604 4.184 4.855 0.055 18 0 "[ . 1 . 2]" 1
947 1 54 THR HA 1 54 THR MG . . 3.300 2.385 2.355 2.433 . 0 0 "[ . 1 . 2]" 1
948 1 54 THR HA 1 56 ALA MB . . 5.190 5.045 4.753 5.202 0.012 19 0 "[ . 1 . 2]" 1
949 1 54 THR HA 1 57 ILE H . . 4.080 4.000 3.685 4.131 0.051 20 0 "[ . 1 . 2]" 1
950 1 54 THR HA 1 57 ILE MD . . 3.270 2.822 2.431 3.134 . 0 0 "[ . 1 . 2]" 1
951 1 54 THR HA 1 57 ILE HG13 . . 4.130 3.925 2.585 4.173 0.043 15 0 "[ . 1 . 2]" 1
952 1 54 THR HA 1 58 GLN H . . 5.500 4.875 4.671 5.116 . 0 0 "[ . 1 . 2]" 1
953 1 54 THR HA 1 90 VAL QG . . 5.070 2.840 2.343 3.870 . 0 0 "[ . 1 . 2]" 1
954 1 54 THR HB 1 55 GLN H . . 3.190 2.824 2.700 2.957 . 0 0 "[ . 1 . 2]" 1
955 1 54 THR HB 1 55 GLN HB2 . . 4.830 4.680 4.579 4.860 0.030 7 0 "[ . 1 . 2]" 1
956 1 54 THR HB 1 55 GLN HE21 . . 5.090 4.127 3.501 5.084 . 0 0 "[ . 1 . 2]" 1
957 1 54 THR HB 1 55 GLN HE22 . . 5.250 3.937 2.476 5.191 . 0 0 "[ . 1 . 2]" 1
958 1 54 THR HB 1 55 GLN HG3 . . 4.720 3.920 2.580 4.747 0.027 1 0 "[ . 1 . 2]" 1
959 1 54 THR HB 1 90 VAL QG . . 3.800 3.723 3.069 3.818 0.018 20 0 "[ . 1 . 2]" 1
960 1 54 THR MG 1 55 GLN H . . 4.440 3.677 3.572 3.811 . 0 0 "[ . 1 . 2]" 1
961 1 54 THR MG 1 55 GLN HG2 . . 5.320 4.628 3.484 5.235 . 0 0 "[ . 1 . 2]" 1
962 1 54 THR MG 1 55 GLN HG3 . . 4.870 3.812 3.287 4.229 . 0 0 "[ . 1 . 2]" 1
963 1 54 THR MG 1 57 ILE MD . . 4.720 4.089 3.512 4.400 . 0 0 "[ . 1 . 2]" 1
964 1 54 THR MG 1 58 GLN H . . 5.020 5.054 4.996 5.096 0.076 14 0 "[ . 1 . 2]" 1
965 1 55 GLN H 1 55 GLN HB2 . . 3.360 2.365 2.268 2.483 . 0 0 "[ . 1 . 2]" 1
966 1 55 GLN H 1 55 GLN HE21 . . 5.350 3.983 3.088 4.756 . 0 0 "[ . 1 . 2]" 1
967 1 55 GLN H 1 55 GLN HG2 . . 3.940 3.849 3.449 4.019 0.079 1 0 "[ . 1 . 2]" 1
968 1 55 GLN H 1 55 GLN HG3 . . 3.830 3.221 2.192 3.862 0.032 8 0 "[ . 1 . 2]" 1
969 1 55 GLN HA 1 55 GLN HG2 . . 3.440 3.237 2.590 3.597 0.157 8 0 "[ . 1 . 2]" 1
970 1 55 GLN HA 1 55 GLN HG3 . . 3.420 2.595 2.316 3.133 . 0 0 "[ . 1 . 2]" 1
971 1 55 GLN HA 1 56 ALA MB . . 5.060 4.959 4.789 5.022 . 0 0 "[ . 1 . 2]" 1
972 1 55 GLN HA 1 58 GLN H . . 3.880 3.565 3.341 3.906 0.026 16 0 "[ . 1 . 2]" 1
973 1 55 GLN HB2 1 55 GLN HE22 . . 5.090 4.118 3.791 4.513 . 0 0 "[ . 1 . 2]" 1
974 1 55 GLN HE22 1 55 GLN HG3 . . 3.890 3.876 3.469 4.156 0.266 8 0 "[ . 1 . 2]" 1
975 1 56 ALA H 1 56 ALA MB . . 3.120 2.234 2.193 2.377 . 0 0 "[ . 1 . 2]" 1
976 1 56 ALA H 1 57 ILE HA . . 5.400 5.144 4.792 5.317 . 0 0 "[ . 1 . 2]" 1
977 1 56 ALA H 1 57 ILE MD . . 4.750 4.730 4.357 4.814 0.064 18 0 "[ . 1 . 2]" 1
978 1 56 ALA H 1 58 GLN H . . 5.080 3.827 3.327 4.080 . 0 0 "[ . 1 . 2]" 1
979 1 56 ALA HA 1 59 MET H . . 4.160 3.458 2.931 3.756 . 0 0 "[ . 1 . 2]" 1
980 1 56 ALA HA 1 59 MET HB2 . . 4.540 2.936 2.517 3.357 . 0 0 "[ . 1 . 2]" 1
981 1 56 ALA HA 1 59 MET QG . . 4.950 3.193 2.617 4.014 . 0 0 "[ . 1 . 2]" 1
982 1 56 ALA MB 1 57 ILE H . . 3.990 2.574 2.464 2.812 . 0 0 "[ . 1 . 2]" 1
983 1 56 ALA MB 1 57 ILE HA . . 4.120 3.938 3.845 4.085 . 0 0 "[ . 1 . 2]" 1
984 1 56 ALA MB 1 58 GLN H . . 5.300 4.436 4.341 4.521 . 0 0 "[ . 1 . 2]" 1
985 1 57 ILE H 1 57 ILE HB . . 3.640 2.463 2.271 2.774 . 0 0 "[ . 1 . 2]" 1
986 1 57 ILE H 1 57 ILE MD . . 4.040 3.342 3.248 3.513 . 0 0 "[ . 1 . 2]" 1
987 1 57 ILE H 1 57 ILE HG12 . . 4.580 3.276 2.708 3.450 . 0 0 "[ . 1 . 2]" 1
988 1 57 ILE H 1 57 ILE HG13 . . 4.590 1.956 1.788 2.089 . 0 0 "[ . 1 . 2]" 1
989 1 57 ILE H 1 57 ILE MG . . 4.390 3.709 3.675 3.738 . 0 0 "[ . 1 . 2]" 1
990 1 57 ILE H 1 58 GLN H . . 3.710 2.600 2.468 2.719 . 0 0 "[ . 1 . 2]" 1
991 1 57 ILE H 1 86 ALA MB . . 3.890 3.819 3.702 3.932 0.042 14 0 "[ . 1 . 2]" 1
992 1 57 ILE HA 1 57 ILE MD . . 4.160 3.912 3.826 3.965 . 0 0 "[ . 1 . 2]" 1
993 1 57 ILE HA 1 57 ILE MG . . 3.200 2.446 2.209 2.628 . 0 0 "[ . 1 . 2]" 1
994 1 57 ILE HA 1 60 CYS HA . . 4.960 5.057 4.901 5.177 0.217 3 0 "[ . 1 . 2]" 1
995 1 57 ILE HA 1 60 CYS HB2 . . 5.500 2.448 2.363 2.557 . 0 0 "[ . 1 . 2]" 1
996 1 57 ILE HA 1 60 CYS HB3 . . 3.910 4.033 3.945 4.102 0.192 19 0 "[ . 1 . 2]" 1
997 1 57 ILE HA 1 61 GLN HG3 . . 4.990 4.066 3.938 4.168 . 0 0 "[ . 1 . 2]" 1
998 1 57 ILE HA 1 83 LEU HA . . 3.820 3.803 3.535 3.899 0.079 19 0 "[ . 1 . 2]" 1
999 1 57 ILE HA 1 83 LEU QD . . 3.620 3.195 2.238 3.692 0.072 11 0 "[ . 1 . 2]" 1
1000 1 57 ILE HA 1 83 LEU HG . . 5.090 3.971 2.907 5.197 0.107 3 0 "[ . 1 . 2]" 1
1001 1 57 ILE HA 1 86 ALA MB . . 4.080 3.892 3.633 4.117 0.037 7 0 "[ . 1 . 2]" 1
1002 1 57 ILE HB 1 58 GLN H . . 3.760 2.637 2.536 2.764 . 0 0 "[ . 1 . 2]" 1
1003 1 57 ILE MD 1 58 GLN H . . 4.390 4.427 4.394 4.474 0.084 4 0 "[ . 1 . 2]" 1
1004 1 57 ILE MD 1 61 GLN HE21 . . 5.240 4.484 3.935 4.899 . 0 0 "[ . 1 . 2]" 1
1005 1 57 ILE MD 1 61 GLN HE22 . . 5.500 4.858 4.323 5.244 . 0 0 "[ . 1 . 2]" 1
1006 1 57 ILE MD 1 83 LEU QD . . 3.540 3.521 3.350 3.660 0.120 18 0 "[ . 1 . 2]" 1
1007 1 57 ILE MD 1 86 ALA MB . . 4.070 2.049 1.956 2.197 . 0 0 "[ . 1 . 2]" 1
1008 1 57 ILE MD 1 87 GLN H . . 4.620 3.737 3.418 4.084 . 0 0 "[ . 1 . 2]" 1
1009 1 57 ILE MD 1 87 GLN HG2 . . 4.160 2.942 2.525 3.362 . 0 0 "[ . 1 . 2]" 1
1010 1 57 ILE MD 1 87 GLN HG3 . . 4.300 3.408 2.598 4.326 0.026 8 0 "[ . 1 . 2]" 1
1011 1 57 ILE HG12 1 58 GLN H . . 5.020 4.976 4.599 5.075 0.055 14 0 "[ . 1 . 2]" 1
1012 1 57 ILE HG12 1 83 LEU QD . . 4.720 3.276 2.349 4.323 . 0 0 "[ . 1 . 2]" 1
1013 1 57 ILE HG12 1 86 ALA MB . . 5.500 1.970 1.940 2.012 . 0 0 "[ . 1 . 2]" 1
1014 1 57 ILE HG13 1 86 ALA MB . . 3.710 2.344 2.201 2.776 . 0 0 "[ . 1 . 2]" 1
1015 1 57 ILE MG 1 58 GLN H . . 3.940 3.637 3.424 3.891 . 0 0 "[ . 1 . 2]" 1
1016 1 57 ILE MG 1 61 GLN HE21 . . 3.860 1.934 1.720 2.282 . 0 0 "[ . 1 . 2]" 1
1017 1 57 ILE MG 1 61 GLN HE22 . . 4.060 2.674 2.537 2.842 . 0 0 "[ . 1 . 2]" 1
1018 1 57 ILE MG 1 83 LEU QD . . 3.070 2.085 1.811 2.549 . 0 0 "[ . 1 . 2]" 1
1019 1 57 ILE MG 1 86 ALA MB . . 3.310 3.390 3.327 3.440 0.130 17 0 "[ . 1 . 2]" 1
1020 1 57 ILE MG 1 87 GLN H . . 5.070 5.060 4.930 5.105 0.035 13 0 "[ . 1 . 2]" 1
1021 1 57 ILE MG 1 87 GLN HG2 . . 3.760 3.768 3.634 3.801 0.041 1 0 "[ . 1 . 2]" 1
1022 1 58 GLN H 1 58 GLN QB . . 3.420 2.342 2.177 2.448 . 0 0 "[ . 1 . 2]" 1
1023 1 58 GLN H 1 59 MET H . . 3.750 2.640 2.476 2.759 . 0 0 "[ . 1 . 2]" 1
1024 1 58 GLN H 1 59 MET ME . . 5.350 5.419 5.382 5.471 0.121 16 0 "[ . 1 . 2]" 1
1025 1 58 GLN HA 1 61 GLN HE22 . . 4.810 5.023 4.700 5.438 0.628 19 3 "[ . -1 * +2]" 1
1026 1 59 MET H 1 59 MET HB2 . . 3.280 2.481 2.122 2.878 . 0 0 "[ . 1 . 2]" 1
1027 1 59 MET H 1 59 MET HB3 . . 3.720 3.455 2.558 3.718 . 0 0 "[ . 1 . 2]" 1
1028 1 59 MET H 1 59 MET ME . . 3.820 3.840 3.582 3.937 0.117 9 0 "[ . 1 . 2]" 1
1029 1 59 MET H 1 59 MET QG . . 4.460 2.948 2.227 4.091 . 0 0 "[ . 1 . 2]" 1
1030 1 59 MET HA 1 59 MET ME . . 3.340 1.844 1.797 1.918 . 0 0 "[ . 1 . 2]" 1
1031 1 59 MET HA 1 59 MET QG . . 3.950 2.722 2.524 2.816 . 0 0 "[ . 1 . 2]" 1
1032 1 59 MET HA 1 60 CYS HA . . 5.050 4.771 4.729 4.807 . 0 0 "[ . 1 . 2]" 1
1033 1 59 MET HA 1 62 GLN H . . 4.290 3.361 3.154 3.522 . 0 0 "[ . 1 . 2]" 1
1034 1 59 MET HA 1 62 GLN HB2 . . 4.490 2.428 2.290 2.717 . 0 0 "[ . 1 . 2]" 1
1035 1 59 MET HA 1 62 GLN HB3 . . 4.320 4.019 3.853 4.356 0.036 10 0 "[ . 1 . 2]" 1
1036 1 59 MET HA 1 62 GLN HG3 . . 4.670 3.145 2.797 3.504 . 0 0 "[ . 1 . 2]" 1
1037 1 59 MET HA 1 79 LEU QD . . 5.480 5.443 5.316 5.513 0.033 9 0 "[ . 1 . 2]" 1
1038 1 59 MET HB2 1 60 CYS H . . 4.530 3.122 2.790 3.918 . 0 0 "[ . 1 . 2]" 1
1039 1 59 MET HB3 1 60 CYS H . . 4.680 3.707 2.774 4.054 . 0 0 "[ . 1 . 2]" 1
1040 1 59 MET HB3 1 79 LEU QD . . 5.280 4.921 4.497 5.357 0.077 9 0 "[ . 1 . 2]" 1
1041 1 59 MET ME 1 60 CYS H . . 5.010 4.782 4.696 5.005 . 0 0 "[ . 1 . 2]" 1
1042 1 59 MET ME 1 62 GLN H . . 5.110 4.288 4.066 4.455 . 0 0 "[ . 1 . 2]" 1
1043 1 59 MET ME 1 62 GLN HB2 . . 4.830 2.621 2.399 2.772 . 0 0 "[ . 1 . 2]" 1
1044 1 59 MET ME 1 62 GLN HB3 . . 3.830 3.368 3.045 3.604 . 0 0 "[ . 1 . 2]" 1
1045 1 59 MET ME 1 62 GLN HE21 . . 5.040 3.685 2.339 4.209 . 0 0 "[ . 1 . 2]" 1
1046 1 59 MET ME 1 62 GLN HG3 . . 3.520 2.845 2.334 3.576 0.056 18 0 "[ . 1 . 2]" 1
1047 1 60 CYS H 1 60 CYS HB2 . . 3.400 2.394 2.334 2.467 . 0 0 "[ . 1 . 2]" 1
1048 1 60 CYS H 1 60 CYS HB3 . . 3.990 3.570 3.541 3.587 . 0 0 "[ . 1 . 2]" 1
1049 1 60 CYS H 1 79 LEU QD . . 5.140 4.645 4.267 4.973 . 0 0 "[ . 1 . 2]" 1
1050 1 60 CYS HA 1 63 GLY H . . 4.780 3.451 3.223 3.621 . 0 0 "[ . 1 . 2]" 1
1051 1 60 CYS HA 1 79 LEU HB3 . . 4.900 2.663 2.445 2.867 . 0 0 "[ . 1 . 2]" 1
1052 1 60 CYS HA 1 79 LEU QD . . 3.200 2.439 2.160 2.844 . 0 0 "[ . 1 . 2]" 1
1053 1 60 CYS HA 1 83 LEU QD . . 4.700 4.571 4.274 4.768 0.068 6 0 "[ . 1 . 2]" 1
1054 1 60 CYS HB2 1 61 GLN H . . 3.590 2.579 2.273 2.703 . 0 0 "[ . 1 . 2]" 1
1055 1 60 CYS HB2 1 79 LEU QD . . 5.060 4.609 4.212 4.920 . 0 0 "[ . 1 . 2]" 1
1056 1 60 CYS HB2 1 83 LEU HB2 . . 4.770 3.022 2.909 3.170 . 0 0 "[ . 1 . 2]" 1
1057 1 60 CYS HB2 1 83 LEU HB3 . . 4.630 4.668 4.583 4.739 0.109 10 0 "[ . 1 . 2]" 1
1058 1 60 CYS HB2 1 83 LEU QD . . 4.070 2.478 2.000 2.879 . 0 0 "[ . 1 . 2]" 1
1059 1 60 CYS HB2 1 83 LEU HG . . 5.400 3.952 2.770 5.068 . 0 0 "[ . 1 . 2]" 1
1060 1 60 CYS HB3 1 61 GLN H . . 4.340 3.554 3.352 3.652 . 0 0 "[ . 1 . 2]" 1
1061 1 60 CYS HB3 1 79 LEU H . . 5.420 5.481 5.406 5.554 0.134 19 0 "[ . 1 . 2]" 1
1062 1 60 CYS HB3 1 79 LEU HA . . 4.020 3.366 3.067 4.011 . 0 0 "[ . 1 . 2]" 1
1063 1 60 CYS HB3 1 79 LEU QD . . 3.950 3.676 3.309 3.966 0.016 14 0 "[ . 1 . 2]" 1
1064 1 60 CYS HB3 1 83 LEU HB2 . . 4.440 2.618 2.399 2.857 . 0 0 "[ . 1 . 2]" 1
1065 1 60 CYS HB3 1 83 LEU QD . . 4.050 2.754 2.460 3.043 . 0 0 "[ . 1 . 2]" 1
1066 1 61 GLN H 1 61 GLN HB2 . . 3.820 2.485 2.422 2.541 . 0 0 "[ . 1 . 2]" 1
1067 1 61 GLN H 1 61 GLN HB3 . . 3.800 3.576 3.562 3.592 . 0 0 "[ . 1 . 2]" 1
1068 1 61 GLN H 1 61 GLN HE21 . . 5.180 4.118 3.935 4.262 . 0 0 "[ . 1 . 2]" 1
1069 1 61 GLN H 1 61 GLN HE22 . . 5.440 5.282 5.216 5.317 . 0 0 "[ . 1 . 2]" 1
1070 1 61 GLN H 1 61 GLN HG2 . . 3.490 3.356 3.239 3.463 . 0 0 "[ . 1 . 2]" 1
1071 1 61 GLN H 1 61 GLN HG3 . . 3.650 2.034 1.911 2.114 . 0 0 "[ . 1 . 2]" 1
1072 1 61 GLN H 1 62 GLN H . . 4.050 2.680 2.578 2.780 . 0 0 "[ . 1 . 2]" 1
1073 1 61 GLN H 1 83 LEU QD . . 4.580 3.293 3.000 3.441 . 0 0 "[ . 1 . 2]" 1
1074 1 61 GLN HA 1 61 GLN HG2 . . 3.590 2.624 2.514 2.710 . 0 0 "[ . 1 . 2]" 1
1075 1 61 GLN HA 1 61 GLN HG3 . . 3.650 3.057 2.945 3.135 . 0 0 "[ . 1 . 2]" 1
1076 1 61 GLN HA 1 64 LEU H . . 4.590 3.483 3.173 3.671 . 0 0 "[ . 1 . 2]" 1
1077 1 61 GLN HA 1 64 LEU HB2 . . 3.610 2.787 2.698 2.875 . 0 0 "[ . 1 . 2]" 1
1078 1 61 GLN HA 1 64 LEU HB3 . . 4.330 4.385 4.332 4.523 0.193 16 0 "[ . 1 . 2]" 1
1079 1 61 GLN HA 1 64 LEU QD . . 3.380 2.564 2.135 2.878 . 0 0 "[ . 1 . 2]" 1
1080 1 61 GLN HB2 1 61 GLN HE21 . . 4.680 4.137 3.932 4.269 . 0 0 "[ . 1 . 2]" 1
1081 1 61 GLN HB2 1 61 GLN HE22 . . 4.870 4.503 4.442 4.527 . 0 0 "[ . 1 . 2]" 1
1082 1 61 GLN HB2 1 62 GLN H . . 4.410 3.295 2.751 3.670 . 0 0 "[ . 1 . 2]" 1
1083 1 61 GLN HB3 1 62 GLN H . . 4.920 4.206 3.857 4.412 . 0 0 "[ . 1 . 2]" 1
1084 1 61 GLN HB3 1 83 LEU QD . . 4.060 4.082 3.906 4.129 0.069 18 0 "[ . 1 . 2]" 1
1085 1 61 GLN HE21 1 61 GLN HG2 . . 3.510 2.842 2.740 2.984 . 0 0 "[ . 1 . 2]" 1
1086 1 61 GLN HE21 1 83 LEU QD . . 3.760 1.964 1.567 2.334 . 0 0 "[ . 1 . 2]" 1
1087 1 61 GLN HE21 1 83 LEU HG . . 4.810 3.407 2.864 3.996 . 0 0 "[ . 1 . 2]" 1
1088 1 61 GLN HE22 1 61 GLN HG2 . . 3.820 3.705 3.677 3.746 . 0 0 "[ . 1 . 2]" 1
1089 1 61 GLN HE22 1 61 GLN HG3 . . 4.040 3.493 3.441 3.540 . 0 0 "[ . 1 . 2]" 1
1090 1 61 GLN HE22 1 83 LEU QD . . 4.150 3.127 2.712 3.419 . 0 0 "[ . 1 . 2]" 1
1091 1 61 GLN HE22 1 83 LEU HG . . 5.090 4.822 4.522 4.909 . 0 0 "[ . 1 . 2]" 1
1092 1 61 GLN HG2 1 64 LEU QD . . 5.190 3.644 3.345 3.962 . 0 0 "[ . 1 . 2]" 1
1093 1 61 GLN HG2 1 83 LEU QD . . 4.100 2.169 2.069 2.258 . 0 0 "[ . 1 . 2]" 1
1094 1 61 GLN HG3 1 83 LEU QD . . 3.600 2.257 2.127 2.345 . 0 0 "[ . 1 . 2]" 1
1095 1 61 GLN HG3 1 83 LEU HG . . 5.330 4.130 3.265 4.842 . 0 0 "[ . 1 . 2]" 1
1096 1 62 GLN H 1 62 GLN HB2 . . 3.850 2.412 2.247 2.607 . 0 0 "[ . 1 . 2]" 1
1097 1 62 GLN H 1 62 GLN HB3 . . 3.690 3.634 3.543 3.746 0.056 18 0 "[ . 1 . 2]" 1
1098 1 62 GLN H 1 62 GLN HG2 . . 3.720 2.883 2.231 3.679 . 0 0 "[ . 1 . 2]" 1
1099 1 62 GLN H 1 62 GLN HG3 . . 3.860 3.546 2.370 3.895 0.035 7 0 "[ . 1 . 2]" 1
1100 1 62 GLN H 1 63 GLY H . . 4.170 2.266 2.020 2.642 . 0 0 "[ . 1 . 2]" 1
1101 1 62 GLN HA 1 62 GLN HE22 . . 5.460 4.963 4.133 5.982 0.522 10 2 "[ . + . - 2]" 1
1102 1 62 GLN HA 1 62 GLN HG2 . . 3.520 2.747 2.305 3.036 . 0 0 "[ . 1 . 2]" 1
1103 1 62 GLN HA 1 62 GLN HG3 . . 3.780 3.662 3.148 3.799 0.019 7 0 "[ . 1 . 2]" 1
1104 1 62 GLN HA 1 65 ARG H . . 4.240 3.908 3.717 4.098 . 0 0 "[ . 1 . 2]" 1
1105 1 62 GLN HA 1 65 ARG HB2 . . 4.420 3.792 3.589 4.087 . 0 0 "[ . 1 . 2]" 1
1106 1 62 GLN HA 1 65 ARG HD2 . . 3.800 2.543 2.190 2.685 . 0 0 "[ . 1 . 2]" 1
1107 1 62 GLN HA 1 65 ARG HD3 . . 3.790 2.583 2.197 3.807 0.017 15 0 "[ . 1 . 2]" 1
1108 1 62 GLN HA 1 65 ARG HG2 . . 4.020 4.053 4.026 4.085 0.065 13 0 "[ . 1 . 2]" 1
1109 1 62 GLN HA 1 65 ARG HG3 . . 4.460 2.647 2.557 2.719 . 0 0 "[ . 1 . 2]" 1
1110 1 62 GLN HA 1 66 TYR QD . . 5.320 4.994 4.745 5.323 0.003 3 0 "[ . 1 . 2]" 1
1111 1 62 GLN HA 1 66 TYR QE . . 4.660 4.205 4.036 4.553 . 0 0 "[ . 1 . 2]" 1
1112 1 62 GLN HB2 1 63 GLY H . . 4.020 3.244 2.823 3.672 . 0 0 "[ . 1 . 2]" 1
1113 1 62 GLN HB2 1 63 GLY QA . . 4.690 4.194 3.983 4.421 . 0 0 "[ . 1 . 2]" 1
1114 1 62 GLN HB3 1 63 GLY H . . 4.870 4.075 3.791 4.334 . 0 0 "[ . 1 . 2]" 1
1115 1 62 GLN HG2 1 63 GLY H . . 4.910 4.692 4.432 4.978 0.068 19 0 "[ . 1 . 2]" 1
1116 1 62 GLN HG2 1 65 ARG HD2 . . 4.870 4.348 3.602 4.888 0.018 15 0 "[ . 1 . 2]" 1
1117 1 63 GLY H 1 79 LEU QD . . 4.640 2.943 2.585 3.730 . 0 0 "[ . 1 . 2]" 1
1118 1 63 GLY QA 1 65 ARG H . . 5.150 3.254 3.165 3.418 . 0 0 "[ . 1 . 2]" 1
1119 1 63 GLY QA 1 79 LEU QD . . 4.690 2.018 1.905 2.544 . 0 0 "[ . 1 . 2]" 1
1120 1 64 LEU H 1 64 LEU HB2 . . 3.990 2.247 2.182 2.376 . 0 0 "[ . 1 . 2]" 1
1121 1 64 LEU H 1 64 LEU HB3 . . 3.560 3.522 3.488 3.585 0.025 13 0 "[ . 1 . 2]" 1
1122 1 64 LEU H 1 64 LEU QD . . 4.110 3.058 2.033 3.215 . 0 0 "[ . 1 . 2]" 1
1123 1 64 LEU H 1 64 LEU HG . . 4.180 2.673 2.390 4.111 . 0 0 "[ . 1 . 2]" 1
1124 1 64 LEU H 1 65 ARG H . . 3.570 2.724 2.670 2.841 . 0 0 "[ . 1 . 2]" 1
1125 1 64 LEU H 1 79 LEU HB3 . . 4.700 3.910 3.644 4.216 . 0 0 "[ . 1 . 2]" 1
1126 1 64 LEU H 1 79 LEU QD . . 3.740 2.703 2.419 3.594 . 0 0 "[ . 1 . 2]" 1
1127 1 64 LEU HA 1 64 LEU QD . . 3.350 2.009 1.867 2.058 . 0 0 "[ . 1 . 2]" 1
1128 1 64 LEU HA 1 64 LEU HG . . 3.600 2.838 2.702 3.570 . 0 0 "[ . 1 . 2]" 1
1129 1 64 LEU HA 1 67 THR H . . 4.570 3.357 3.092 3.653 . 0 0 "[ . 1 . 2]" 1
1130 1 64 LEU HA 1 67 THR HB . . 4.330 4.356 4.329 4.401 0.071 2 0 "[ . 1 . 2]" 1
1131 1 64 LEU HA 1 67 THR MG . . 5.060 2.720 2.546 2.814 . 0 0 "[ . 1 . 2]" 1
1132 1 64 LEU HA 1 79 LEU HB2 . . 4.280 4.195 3.869 4.416 0.136 13 0 "[ . 1 . 2]" 1
1133 1 64 LEU HA 1 79 LEU QD . . 3.710 3.199 2.752 3.402 . 0 0 "[ . 1 . 2]" 1
1134 1 64 LEU HB2 1 64 LEU QD . . 3.220 2.205 2.063 2.249 . 0 0 "[ . 1 . 2]" 1
1135 1 64 LEU HB2 1 65 ARG H . . 4.790 3.505 3.406 3.737 . 0 0 "[ . 1 . 2]" 1
1136 1 64 LEU HB3 1 65 ARG H . . 4.800 4.151 4.063 4.342 . 0 0 "[ . 1 . 2]" 1
1137 1 64 LEU QD 1 67 THR H . . 4.890 4.375 4.199 4.596 . 0 0 "[ . 1 . 2]" 1
1138 1 64 LEU QD 1 67 THR HB . . 4.500 3.798 3.573 3.968 . 0 0 "[ . 1 . 2]" 1
1139 1 64 LEU QD 1 79 LEU HB2 . . 4.820 2.240 1.728 2.403 . 0 0 "[ . 1 . 2]" 1
1140 1 64 LEU QD 1 80 GLN H . . 5.000 2.905 2.485 3.520 . 0 0 "[ . 1 . 2]" 1
1141 1 64 LEU QD 1 80 GLN HB3 . . 4.540 4.097 3.894 4.542 0.002 13 0 "[ . 1 . 2]" 1
1142 1 64 LEU QD 1 80 GLN HG2 . . 4.470 2.135 1.925 2.742 . 0 0 "[ . 1 . 2]" 1
1143 1 64 LEU QD 1 80 GLN HG3 . . 4.520 3.311 3.065 4.005 . 0 0 "[ . 1 . 2]" 1
1144 1 64 LEU HG 1 79 LEU H . . 4.190 4.364 4.313 4.524 0.334 13 0 "[ . 1 . 2]" 1
1145 1 64 LEU HG 1 79 LEU HB2 . . 4.210 2.286 2.034 3.535 . 0 0 "[ . 1 . 2]" 1
1146 1 64 LEU HG 1 79 LEU HB3 . . 4.610 2.629 2.161 4.395 . 0 0 "[ . 1 . 2]" 1
1147 1 64 LEU HG 1 79 LEU QD . . 4.010 2.701 2.205 4.136 0.126 13 0 "[ . 1 . 2]" 1
1148 1 65 ARG H 1 65 ARG HB2 . . 3.340 2.460 2.423 2.509 . 0 0 "[ . 1 . 2]" 1
1149 1 65 ARG H 1 65 ARG HB3 . . 3.550 3.588 3.567 3.653 0.103 11 0 "[ . 1 . 2]" 1
1150 1 65 ARG H 1 65 ARG HD2 . . 4.970 4.465 3.875 4.802 . 0 0 "[ . 1 . 2]" 1
1151 1 65 ARG H 1 65 ARG HD3 . . 4.660 4.083 3.886 4.697 0.037 1 0 "[ . 1 . 2]" 1
1152 1 65 ARG H 1 65 ARG HG2 . . 3.790 3.436 3.290 3.658 . 0 0 "[ . 1 . 2]" 1
1153 1 65 ARG H 1 65 ARG HG3 . . 3.390 2.223 2.103 2.488 . 0 0 "[ . 1 . 2]" 1
1154 1 65 ARG H 1 66 TYR HA . . 5.300 5.081 4.857 5.160 . 0 0 "[ . 1 . 2]" 1
1155 1 65 ARG H 1 79 LEU QD . . 4.790 4.450 4.280 4.861 0.071 11 0 "[ . 1 . 2]" 1
1156 1 65 ARG HA 1 65 ARG HG2 . . 3.840 2.628 2.606 2.658 . 0 0 "[ . 1 . 2]" 1
1157 1 65 ARG HA 1 65 ARG HG3 . . 3.950 3.185 3.136 3.249 . 0 0 "[ . 1 . 2]" 1
1158 1 65 ARG HA 1 66 TYR HA . . 5.280 4.644 4.621 4.668 . 0 0 "[ . 1 . 2]" 1
1159 1 65 ARG HA 1 67 THR H . . 4.830 4.177 4.027 4.336 . 0 0 "[ . 1 . 2]" 1
1160 1 65 ARG HB2 1 65 ARG HD2 . . 3.930 3.504 2.419 3.721 . 0 0 "[ . 1 . 2]" 1
1161 1 65 ARG HB2 1 65 ARG HD3 . . 3.760 2.537 2.430 3.003 . 0 0 "[ . 1 . 2]" 1
1162 1 65 ARG HB2 1 66 TYR H . . 3.770 3.561 3.510 3.636 . 0 0 "[ . 1 . 2]" 1
1163 1 65 ARG HB2 1 66 TYR QE . . 4.440 3.045 2.967 3.126 . 0 0 "[ . 1 . 2]" 1
1164 1 65 ARG HB3 1 65 ARG HD3 . . 3.250 2.941 2.402 3.085 . 0 0 "[ . 1 . 2]" 1
1165 1 65 ARG HB3 1 66 TYR H . . 4.480 4.351 4.305 4.368 . 0 0 "[ . 1 . 2]" 1
1166 1 65 ARG HB3 1 66 TYR QD . . 5.330 4.328 4.256 4.391 . 0 0 "[ . 1 . 2]" 1
1167 1 65 ARG HB3 1 66 TYR QE . . 5.140 4.014 3.943 4.106 . 0 0 "[ . 1 . 2]" 1
1168 1 65 ARG HD2 1 66 TYR QE . . 5.050 4.801 3.331 5.075 0.025 19 0 "[ . 1 . 2]" 1
1169 1 65 ARG HD3 1 66 TYR QD . . 5.500 4.786 4.556 5.532 0.032 18 0 "[ . 1 . 2]" 1
1170 1 65 ARG HD3 1 66 TYR QE . . 4.730 3.531 3.345 4.422 . 0 0 "[ . 1 . 2]" 1
1171 1 65 ARG HG2 1 66 TYR QE . . 5.500 5.514 5.486 5.533 0.033 5 0 "[ . 1 . 2]" 1
1172 1 65 ARG HG3 1 66 TYR H . . 4.780 4.548 4.511 4.599 . 0 0 "[ . 1 . 2]" 1
1173 1 66 TYR H 1 66 TYR HB3 . . 3.880 3.807 3.796 3.823 . 0 0 "[ . 1 . 2]" 1
1174 1 66 TYR H 1 66 TYR QD . . 3.760 3.476 3.382 3.556 . 0 0 "[ . 1 . 2]" 1
1175 1 66 TYR H 1 67 THR HA . . 4.740 4.503 4.426 4.549 . 0 0 "[ . 1 . 2]" 1
1176 1 66 TYR HA 1 66 TYR QD . . 3.300 2.366 2.229 2.469 . 0 0 "[ . 1 . 2]" 1
1177 1 66 TYR HA 1 67 THR HA . . 5.500 4.611 4.542 4.696 . 0 0 "[ . 1 . 2]" 1
1178 1 66 TYR HA 1 67 THR MG . . 5.000 4.700 4.521 4.873 . 0 0 "[ . 1 . 2]" 1
1179 1 66 TYR HB2 1 67 THR H . . 5.140 3.758 3.551 3.956 . 0 0 "[ . 1 . 2]" 1
1180 1 66 TYR HB3 1 67 THR MG . . 5.040 4.505 4.332 4.662 . 0 0 "[ . 1 . 2]" 1
1181 1 66 TYR QD 1 67 THR MG . . 4.910 4.862 4.661 4.937 0.027 9 0 "[ . 1 . 2]" 1
1182 1 67 THR H 1 67 THR MG . . 3.820 2.676 2.470 2.838 . 0 0 "[ . 1 . 2]" 1
1183 1 67 THR H 1 68 SER H . . 4.560 2.604 2.349 2.880 . 0 0 "[ . 1 . 2]" 1
1184 1 67 THR HA 1 67 THR MG . . 3.560 2.262 2.105 2.301 . 0 0 "[ . 1 . 2]" 1
1185 1 67 THR HA 1 72 HIS HB2 . . 3.480 2.265 2.113 2.418 . 0 0 "[ . 1 . 2]" 1
1186 1 67 THR HA 1 72 HIS HB3 . . 3.400 3.349 3.078 3.437 0.037 4 0 "[ . 1 . 2]" 1
1187 1 67 THR HA 1 72 HIS HD2 . . 3.450 2.287 2.136 2.406 . 0 0 "[ . 1 . 2]" 1
1188 1 67 THR HB 1 72 HIS HB3 . . 4.780 3.786 3.581 4.018 . 0 0 "[ . 1 . 2]" 1
1189 1 67 THR HB 1 76 ARG H . . 4.330 3.437 3.291 3.871 . 0 0 "[ . 1 . 2]" 1
1190 1 67 THR HB 1 76 ARG HA . . 4.080 2.613 2.355 3.264 . 0 0 "[ . 1 . 2]" 1
1191 1 67 THR HB 1 76 ARG HB2 . . 3.760 2.148 2.083 2.243 . 0 0 "[ . 1 . 2]" 1
1192 1 67 THR HB 1 76 ARG HB3 . . 3.930 3.821 3.762 3.901 . 0 0 "[ . 1 . 2]" 1
1193 1 67 THR HB 1 76 ARG QD . . 3.610 3.460 3.134 3.732 0.122 14 0 "[ . 1 . 2]" 1
1194 1 67 THR HB 1 76 ARG HG2 . . 5.060 4.221 3.873 4.619 . 0 0 "[ . 1 . 2]" 1
1195 1 67 THR HB 1 76 ARG HG3 . . 4.850 2.786 2.272 3.284 . 0 0 "[ . 1 . 2]" 1
1196 1 67 THR MG 1 72 HIS HA . . 4.670 4.350 4.296 4.434 . 0 0 "[ . 1 . 2]" 1
1197 1 67 THR MG 1 72 HIS HB2 . . 4.020 2.450 2.290 2.753 . 0 0 "[ . 1 . 2]" 1
1198 1 67 THR MG 1 72 HIS HB3 . . 3.700 2.252 2.168 2.373 . 0 0 "[ . 1 . 2]" 1
1199 1 67 THR MG 1 72 HIS HD2 . . 3.800 3.820 3.791 3.864 0.064 17 0 "[ . 1 . 2]" 1
1200 1 67 THR MG 1 72 HIS HE1 . . 5.500 5.567 5.537 5.590 0.090 17 0 "[ . 1 . 2]" 1
1201 1 67 THR MG 1 76 ARG H . . 4.660 3.150 3.023 3.265 . 0 0 "[ . 1 . 2]" 1
1202 1 67 THR MG 1 76 ARG HA . . 3.220 2.280 2.054 2.489 . 0 0 "[ . 1 . 2]" 1
1203 1 67 THR MG 1 76 ARG HB2 . . 4.960 3.309 2.954 3.420 . 0 0 "[ . 1 . 2]" 1
1204 1 68 SER H 1 69 THR H . . 4.840 3.050 2.761 4.474 . 0 0 "[ . 1 . 2]" 1
1205 1 68 SER HA 1 68 SER HB3 . . 2.930 2.493 2.433 3.012 0.082 3 0 "[ . 1 . 2]" 1
1206 1 68 SER HA 1 69 THR MG . . 4.960 4.519 4.234 4.820 . 0 0 "[ . 1 . 2]" 1
1207 1 68 SER HB2 1 69 THR MG . . 5.350 3.694 2.571 4.971 . 0 0 "[ . 1 . 2]" 1
1208 1 68 SER HB3 1 69 THR H . . 4.830 4.301 1.969 4.614 . 0 0 "[ . 1 . 2]" 1
1209 1 68 SER HB3 1 69 THR MG . . 4.610 4.377 3.194 4.663 0.053 13 0 "[ . 1 . 2]" 1
1210 1 69 THR H 1 69 THR MG . . 3.800 2.441 2.086 2.847 . 0 0 "[ . 1 . 2]" 1
1211 1 69 THR HA 1 69 THR MG . . 3.360 2.930 2.422 3.229 . 0 0 "[ . 1 . 2]" 1
1212 1 69 THR HA 1 70 ALA MB . . 4.360 4.023 3.986 4.088 . 0 0 "[ . 1 . 2]" 1
1213 1 69 THR HB 1 70 ALA MB . . 5.090 4.754 3.947 5.155 0.065 3 0 "[ . 1 . 2]" 1
1214 1 69 THR HB 1 72 HIS HD2 . . 4.870 4.761 4.520 4.964 0.094 17 0 "[ . 1 . 2]" 1
1215 1 69 THR MG 1 72 HIS HD2 . . 4.630 2.726 2.173 3.895 . 0 0 "[ . 1 . 2]" 1
1216 1 69 THR MG 1 72 HIS HE1 . . 5.380 4.988 4.477 5.430 0.050 11 0 "[ . 1 . 2]" 1
1217 1 70 ALA H 1 71 GLU HA . . 5.330 5.201 4.328 5.378 0.048 9 0 "[ . 1 . 2]" 1
1218 1 70 ALA HA 1 73 VAL H . . 4.540 3.374 3.192 3.816 . 0 0 "[ . 1 . 2]" 1
1219 1 70 ALA HA 1 73 VAL MG1 . . 3.960 4.102 3.775 4.901 0.941 9 3 "[ * . +1 . - 2]" 1
1220 1 70 ALA MB 1 71 GLU H . . 4.740 3.143 3.078 3.365 . 0 0 "[ . 1 . 2]" 1
1221 1 70 ALA MB 1 71 GLU HA . . 4.040 4.032 3.970 4.099 0.059 9 0 "[ . 1 . 2]" 1
1222 1 70 ALA MB 1 71 GLU QG . . 4.150 3.787 3.629 4.168 0.018 12 0 "[ . 1 . 2]" 1
1223 1 70 ALA MB 1 73 VAL H . . 5.080 4.306 4.185 4.589 . 0 0 "[ . 1 . 2]" 1
1224 1 70 ALA MB 1 73 VAL HA . . 5.500 4.980 4.856 5.159 . 0 0 "[ . 1 . 2]" 1
1225 1 70 ALA MB 1 73 VAL HB . . 4.230 3.372 3.198 3.812 . 0 0 "[ . 1 . 2]" 1
1226 1 70 ALA MB 1 73 VAL MG1 . . 4.380 4.029 3.788 4.711 0.331 9 0 "[ . 1 . 2]" 1
1227 1 71 GLU H 1 72 HIS H . . 4.060 2.680 2.622 2.738 . 0 0 "[ . 1 . 2]" 1
1228 1 71 GLU HA 1 71 GLU HB2 . . 2.920 3.020 3.015 3.026 0.106 14 0 "[ . 1 . 2]" 1
1229 1 71 GLU HA 1 71 GLU HB3 . . 2.960 2.475 2.454 2.505 . 0 0 "[ . 1 . 2]" 1
1230 1 71 GLU HA 1 71 GLU QG . . 3.270 2.842 2.329 2.995 . 0 0 "[ . 1 . 2]" 1
1231 1 71 GLU HA 1 72 HIS HA . . 4.750 4.568 4.532 4.610 . 0 0 "[ . 1 . 2]" 1
1232 1 71 GLU HB2 1 72 HIS H . . 4.760 3.460 3.369 3.645 . 0 0 "[ . 1 . 2]" 1
1233 1 71 GLU HB2 1 72 HIS HA . . 5.500 4.870 4.803 4.987 . 0 0 "[ . 1 . 2]" 1
1234 1 71 GLU HB3 1 72 HIS H . . 4.310 4.259 4.181 4.340 0.030 9 0 "[ . 1 . 2]" 1
1235 1 71 GLU HB3 1 72 HIS HE1 . . 4.900 3.862 3.335 4.274 . 0 0 "[ . 1 . 2]" 1
1236 1 71 GLU QG 1 72 HIS HE1 . . 5.030 5.047 4.879 5.106 0.076 16 0 "[ . 1 . 2]" 1
1237 1 72 HIS H 1 73 VAL H . . 3.570 2.243 2.183 2.343 . 0 0 "[ . 1 . 2]" 1
1238 1 72 HIS HA 1 72 HIS HD2 . . 4.760 4.651 4.523 4.748 . 0 0 "[ . 1 . 2]" 1
1239 1 72 HIS HA 1 72 HIS HE1 . . 5.500 5.244 5.138 5.454 . 0 0 "[ . 1 . 2]" 1
1240 1 72 HIS HA 1 73 VAL HA . . 5.240 4.872 4.858 4.886 . 0 0 "[ . 1 . 2]" 1
1241 1 72 HIS HA 1 73 VAL HB . . 5.350 5.283 5.226 5.344 . 0 0 "[ . 1 . 2]" 1
1242 1 72 HIS HA 1 73 VAL MG1 . . 5.210 4.224 4.179 4.288 . 0 0 "[ . 1 . 2]" 1
1243 1 72 HIS HA 1 74 ALA MB . . 4.820 4.468 4.149 4.691 . 0 0 "[ . 1 . 2]" 1
1244 1 72 HIS HA 1 75 ILE HB . . 4.580 3.379 3.024 3.828 . 0 0 "[ . 1 . 2]" 1
1245 1 72 HIS HA 1 75 ILE MD . . 5.070 3.224 3.023 3.617 . 0 0 "[ . 1 . 2]" 1
1246 1 72 HIS HB2 1 73 VAL H . . 4.690 4.066 4.013 4.095 . 0 0 "[ . 1 . 2]" 1
1247 1 72 HIS HB2 1 75 ILE MG . . 4.390 4.424 4.396 4.450 0.060 4 0 "[ . 1 . 2]" 1
1248 1 72 HIS HB3 1 72 HIS HD2 . . 3.910 3.708 3.603 3.771 . 0 0 "[ . 1 . 2]" 1
1249 1 72 HIS HB3 1 73 VAL H . . 4.700 4.582 4.558 4.620 . 0 0 "[ . 1 . 2]" 1
1250 1 72 HIS HB3 1 75 ILE HB . . 4.710 2.094 2.021 2.161 . 0 0 "[ . 1 . 2]" 1
1251 1 72 HIS HB3 1 75 ILE MG . . 4.020 3.324 3.153 3.489 . 0 0 "[ . 1 . 2]" 1
1252 1 72 HIS HE1 1 75 ILE MD . . 5.500 4.657 4.405 4.978 . 0 0 "[ . 1 . 2]" 1
1253 1 73 VAL H 1 73 VAL HB . . 3.030 2.292 2.254 2.325 . 0 0 "[ . 1 . 2]" 1
1254 1 73 VAL H 1 73 VAL MG1 . . 3.180 2.242 2.210 2.293 . 0 0 "[ . 1 . 2]" 1
1255 1 73 VAL H 1 73 VAL MG2 . . 3.730 3.700 3.687 3.713 . 0 0 "[ . 1 . 2]" 1
1256 1 73 VAL H 1 74 ALA H . . 3.770 2.914 2.888 2.942 . 0 0 "[ . 1 . 2]" 1
1257 1 73 VAL H 1 74 ALA MB . . 4.720 4.609 4.563 4.643 . 0 0 "[ . 1 . 2]" 1
1258 1 73 VAL HA 1 73 VAL HB . . 2.930 2.482 2.464 2.500 . 0 0 "[ . 1 . 2]" 1
1259 1 73 VAL HA 1 73 VAL MG1 . . 3.200 3.235 3.229 3.241 0.041 12 0 "[ . 1 . 2]" 1
1260 1 73 VAL HA 1 73 VAL MG2 . . 3.280 2.300 2.287 2.316 . 0 0 "[ . 1 . 2]" 1
1261 1 73 VAL HA 1 74 ALA HA . . 5.030 4.660 4.593 4.749 . 0 0 "[ . 1 . 2]" 1
1262 1 73 VAL HA 1 76 ARG H . . 3.950 3.797 3.465 3.965 0.015 16 0 "[ . 1 . 2]" 1
1263 1 73 VAL HA 1 76 ARG HB2 . . 3.920 3.098 2.788 3.350 . 0 0 "[ . 1 . 2]" 1
1264 1 73 VAL HA 1 76 ARG QD . . 4.020 3.070 2.759 3.822 . 0 0 "[ . 1 . 2]" 1
1265 1 73 VAL HB 1 74 ALA H . . 4.010 4.084 4.071 4.105 0.095 5 0 "[ . 1 . 2]" 1
1266 1 73 VAL MG1 1 74 ALA HA . . 4.510 3.519 3.419 3.623 . 0 0 "[ . 1 . 2]" 1
1267 1 73 VAL MG2 1 74 ALA H . . 3.950 3.931 3.888 4.005 0.055 16 0 "[ . 1 . 2]" 1
1268 1 73 VAL MG2 1 74 ALA HA . . 3.900 3.962 3.911 4.071 0.171 16 0 "[ . 1 . 2]" 1
1269 1 73 VAL MG2 1 74 ALA MB . . 4.370 4.277 4.154 4.476 0.106 9 0 "[ . 1 . 2]" 1
1270 1 73 VAL MG2 1 76 ARG QD . . 4.030 3.441 3.043 4.048 0.018 14 0 "[ . 1 . 2]" 1
1271 1 74 ALA H 1 74 ALA MB . . 3.460 2.277 2.228 2.352 . 0 0 "[ . 1 . 2]" 1
1272 1 74 ALA H 1 75 ILE H . . 3.390 2.385 2.192 2.625 . 0 0 "[ . 1 . 2]" 1
1273 1 74 ALA HA 1 77 SER H . . 3.660 3.618 3.529 3.661 0.001 8 0 "[ . 1 . 2]" 1
1274 1 74 ALA HA 1 77 SER QB . . 3.340 3.386 3.349 3.417 0.077 6 0 "[ . 1 . 2]" 1
1275 1 74 ALA MB 1 75 ILE H . . 3.760 2.551 2.382 2.690 . 0 0 "[ . 1 . 2]" 1
1276 1 74 ALA MB 1 75 ILE HA . . 4.080 3.894 3.843 3.954 . 0 0 "[ . 1 . 2]" 1
1277 1 74 ALA MB 1 77 SER H . . 4.500 4.476 4.412 4.526 0.026 2 0 "[ . 1 . 2]" 1
1278 1 74 ALA MB 1 77 SER QB . . 4.720 4.368 4.188 4.483 . 0 0 "[ . 1 . 2]" 1
1279 1 74 ALA MB 1 78 LYS H . . 5.030 4.682 4.347 5.021 . 0 0 "[ . 1 . 2]" 1
1280 1 75 ILE H 1 75 ILE HB . . 3.420 2.442 2.346 2.545 . 0 0 "[ . 1 . 2]" 1
1281 1 75 ILE H 1 75 ILE HG12 . . 4.540 3.378 3.254 3.548 . 0 0 "[ . 1 . 2]" 1
1282 1 75 ILE H 1 75 ILE HG13 . . 4.720 2.131 2.016 2.227 . 0 0 "[ . 1 . 2]" 1
1283 1 75 ILE H 1 75 ILE MG . . 3.750 3.747 3.725 3.763 0.013 6 0 "[ . 1 . 2]" 1
1284 1 75 ILE H 1 76 ARG H . . 3.570 2.591 2.509 2.624 . 0 0 "[ . 1 . 2]" 1
1285 1 75 ILE HA 1 75 ILE HG12 . . 3.700 2.495 2.425 2.568 . 0 0 "[ . 1 . 2]" 1
1286 1 75 ILE HA 1 75 ILE HG13 . . 3.930 3.019 2.874 3.106 . 0 0 "[ . 1 . 2]" 1
1287 1 75 ILE HA 1 75 ILE MG . . 3.570 2.424 2.346 2.496 . 0 0 "[ . 1 . 2]" 1
1288 1 75 ILE HA 1 78 LYS H . . 3.680 2.703 2.517 2.856 . 0 0 "[ . 1 . 2]" 1
1289 1 75 ILE HA 1 78 LYS HB2 . . 4.250 2.129 1.962 2.427 . 0 0 "[ . 1 . 2]" 1
1290 1 75 ILE HA 1 78 LYS QE . . 5.010 5.065 5.001 5.092 0.082 10 0 "[ . 1 . 2]" 1
1291 1 75 ILE HA 1 78 LYS HG2 . . 3.510 3.042 2.514 3.492 . 0 0 "[ . 1 . 2]" 1
1292 1 75 ILE HA 1 78 LYS HG3 . . 3.880 3.480 2.681 3.799 . 0 0 "[ . 1 . 2]" 1
1293 1 75 ILE HA 1 79 LEU QD . . 4.050 3.427 2.998 4.026 . 0 0 "[ . 1 . 2]" 1
1294 1 75 ILE HB 1 76 ARG H . . 3.930 2.916 2.861 3.015 . 0 0 "[ . 1 . 2]" 1
1295 1 75 ILE HB 1 76 ARG HA . . 4.730 4.469 4.371 4.574 . 0 0 "[ . 1 . 2]" 1
1296 1 75 ILE MD 1 75 ILE MG . . 3.320 1.952 1.936 1.973 . 0 0 "[ . 1 . 2]" 1
1297 1 75 ILE HG12 1 75 ILE MG . . 3.630 2.398 2.333 2.446 . 0 0 "[ . 1 . 2]" 1
1298 1 75 ILE HG12 1 76 ARG H . . 5.500 5.078 5.022 5.164 . 0 0 "[ . 1 . 2]" 1
1299 1 75 ILE HG12 1 79 LEU QD . . 4.990 3.968 3.725 4.231 . 0 0 "[ . 1 . 2]" 1
1300 1 75 ILE HG13 1 75 ILE MG . . 3.430 3.207 3.183 3.218 . 0 0 "[ . 1 . 2]" 1
1301 1 75 ILE HG13 1 78 LYS HG2 . . 5.150 5.123 4.599 5.649 0.499 18 0 "[ . 1 . 2]" 1
1302 1 75 ILE MG 1 76 ARG H . . 3.760 3.664 3.520 3.737 . 0 0 "[ . 1 . 2]" 1
1303 1 75 ILE MG 1 76 ARG HA . . 4.030 3.763 3.528 3.885 . 0 0 "[ . 1 . 2]" 1
1304 1 75 ILE MG 1 77 SER H . . 4.730 4.533 4.469 4.730 . 0 0 "[ . 1 . 2]" 1
1305 1 75 ILE MG 1 78 LYS H . . 5.170 4.012 3.776 4.184 . 0 0 "[ . 1 . 2]" 1
1306 1 75 ILE MG 1 78 LYS HG3 . . 5.400 4.854 4.274 5.297 . 0 0 "[ . 1 . 2]" 1
1307 1 75 ILE MG 1 79 LEU QD . . 3.780 1.904 1.765 2.015 . 0 0 "[ . 1 . 2]" 1
1308 1 76 ARG H 1 76 ARG HB2 . . 3.470 2.308 2.273 2.332 . 0 0 "[ . 1 . 2]" 1
1309 1 76 ARG H 1 76 ARG QD . . 4.680 4.204 4.155 4.617 . 0 0 "[ . 1 . 2]" 1
1310 1 76 ARG H 1 76 ARG HG2 . . 5.440 4.448 4.424 4.503 . 0 0 "[ . 1 . 2]" 1
1311 1 76 ARG H 1 76 ARG HG3 . . 4.300 4.333 4.309 4.356 0.056 18 0 "[ . 1 . 2]" 1
1312 1 76 ARG H 1 77 SER H . . 3.460 2.717 2.677 2.751 . 0 0 "[ . 1 . 2]" 1
1313 1 76 ARG HA 1 76 ARG QD . . 4.620 3.988 3.910 4.151 . 0 0 "[ . 1 . 2]" 1
1314 1 76 ARG HB2 1 77 SER H . . 4.680 4.071 3.991 4.099 . 0 0 "[ . 1 . 2]" 1
1315 1 76 ARG HB3 1 76 ARG QD . . 3.820 2.284 2.244 2.367 . 0 0 "[ . 1 . 2]" 1
1316 1 76 ARG HB3 1 77 SER H . . 4.810 3.045 2.963 3.101 . 0 0 "[ . 1 . 2]" 1
1317 1 76 ARG QD 1 77 SER H . . 4.830 4.916 4.892 4.944 0.114 17 0 "[ . 1 . 2]" 1
1318 1 76 ARG HG2 1 77 SER HA . . 4.910 4.275 4.136 4.373 . 0 0 "[ . 1 . 2]" 1
1319 1 77 SER H 1 77 SER QB . . 3.050 2.479 2.323 2.540 . 0 0 "[ . 1 . 2]" 1
1320 1 77 SER H 1 78 LYS H . . 3.620 2.048 1.904 2.287 . 0 0 "[ . 1 . 2]" 1
1321 1 77 SER HA 1 80 GLN H . . 4.270 3.297 3.141 3.567 . 0 0 "[ . 1 . 2]" 1
1322 1 77 SER HA 1 80 GLN HB2 . . 3.480 2.230 2.162 2.430 . 0 0 "[ . 1 . 2]" 1
1323 1 77 SER HA 1 80 GLN HB3 . . 3.550 3.601 3.523 3.671 0.121 2 0 "[ . 1 . 2]" 1
1324 1 77 SER HA 1 80 GLN HG2 . . 4.330 4.021 3.689 4.387 0.057 6 0 "[ . 1 . 2]" 1
1325 1 77 SER QB 1 78 LYS H . . 3.330 3.175 2.949 3.289 . 0 0 "[ . 1 . 2]" 1
1326 1 77 SER QB 1 78 LYS HA . . 4.050 4.077 4.062 4.117 0.067 6 0 "[ . 1 . 2]" 1
1327 1 77 SER QB 1 78 LYS QD . . 5.500 3.772 3.130 5.216 . 0 0 "[ . 1 . 2]" 1
1328 1 78 LYS H 1 78 LYS HB2 . . 3.880 2.362 2.276 2.460 . 0 0 "[ . 1 . 2]" 1
1329 1 78 LYS H 1 78 LYS HB3 . . 3.500 3.581 3.555 3.621 0.121 19 0 "[ . 1 . 2]" 1
1330 1 78 LYS H 1 78 LYS QD . . 4.560 3.646 3.274 4.537 . 0 0 "[ . 1 . 2]" 1
1331 1 78 LYS H 1 78 LYS QE . . 5.060 4.301 4.051 4.384 . 0 0 "[ . 1 . 2]" 1
1332 1 78 LYS H 1 78 LYS HG2 . . 4.620 2.661 2.524 2.835 . 0 0 "[ . 1 . 2]" 1
1333 1 78 LYS H 1 78 LYS HG3 . . 4.620 3.928 3.481 4.044 . 0 0 "[ . 1 . 2]" 1
1334 1 78 LYS H 1 79 LEU H . . 3.450 2.543 2.434 2.667 . 0 0 "[ . 1 . 2]" 1
1335 1 78 LYS HA 1 78 LYS HB3 . . 3.020 2.539 2.477 2.599 . 0 0 "[ . 1 . 2]" 1
1336 1 78 LYS HA 1 78 LYS QD . . 3.450 2.220 2.110 3.400 . 0 0 "[ . 1 . 2]" 1
1337 1 78 LYS HA 1 78 LYS QE . . 4.090 1.963 1.847 2.058 . 0 0 "[ . 1 . 2]" 1
1338 1 78 LYS HA 1 78 LYS HG2 . . 3.990 3.102 2.539 3.297 . 0 0 "[ . 1 . 2]" 1
1339 1 78 LYS HA 1 78 LYS HG3 . . 4.010 3.683 3.661 3.700 . 0 0 "[ . 1 . 2]" 1
1340 1 78 LYS HA 1 81 TYR H . . 4.030 3.041 2.910 3.321 . 0 0 "[ . 1 . 2]" 1
1341 1 78 LYS HA 1 81 TYR HB2 . . 3.920 3.161 2.986 3.696 . 0 0 "[ . 1 . 2]" 1
1342 1 78 LYS HA 1 81 TYR HB3 . . 3.920 2.265 2.140 2.631 . 0 0 "[ . 1 . 2]" 1
1343 1 78 LYS HA 1 81 TYR QD . . 4.500 3.796 3.657 4.038 . 0 0 "[ . 1 . 2]" 1
1344 1 78 LYS HB2 1 78 LYS QE . . 3.430 3.403 3.350 3.468 0.038 18 0 "[ . 1 . 2]" 1
1345 1 78 LYS HB2 1 79 LEU H . . 4.230 3.035 2.818 3.545 . 0 0 "[ . 1 . 2]" 1
1346 1 78 LYS HB3 1 78 LYS QE . . 4.070 2.119 2.014 2.190 . 0 0 "[ . 1 . 2]" 1
1347 1 78 LYS HB3 1 79 LEU H . . 4.290 3.848 3.742 4.254 . 0 0 "[ . 1 . 2]" 1
1348 1 78 LYS QE 1 78 LYS HG2 . . 3.780 3.285 2.538 3.430 . 0 0 "[ . 1 . 2]" 1
1349 1 78 LYS QE 1 78 LYS HG3 . . 3.890 2.597 2.492 3.334 . 0 0 "[ . 1 . 2]" 1
1350 1 78 LYS QE 1 81 TYR HB2 . . 3.640 3.721 3.681 3.743 0.103 8 0 "[ . 1 . 2]" 1
1351 1 78 LYS QE 1 81 TYR QD . . 4.570 2.785 2.550 3.081 . 0 0 "[ . 1 . 2]" 1
1352 1 78 LYS QE 1 81 TYR QE . . 5.270 4.159 3.874 4.406 . 0 0 "[ . 1 . 2]" 1
1353 1 78 LYS QE 1 82 ARG H . . 5.080 4.152 3.759 4.747 . 0 0 "[ . 1 . 2]" 1
1354 1 79 LEU H 1 79 LEU HB3 . . 3.970 3.539 3.490 3.627 . 0 0 "[ . 1 . 2]" 1
1355 1 79 LEU H 1 79 LEU QD . . 4.360 2.513 2.053 3.305 . 0 0 "[ . 1 . 2]" 1
1356 1 79 LEU H 1 79 LEU HG . . 4.800 3.330 2.181 4.156 . 0 0 "[ . 1 . 2]" 1
1357 1 79 LEU HA 1 79 LEU QD . . 3.150 2.254 1.983 2.520 . 0 0 "[ . 1 . 2]" 1
1358 1 79 LEU QD 1 80 GLN H . . 4.840 3.992 3.695 4.338 . 0 0 "[ . 1 . 2]" 1
1359 1 80 GLN H 1 80 GLN HB2 . . 3.750 2.129 2.019 2.289 . 0 0 "[ . 1 . 2]" 1
1360 1 80 GLN H 1 80 GLN HB3 . . 3.350 3.377 3.075 3.439 0.089 19 0 "[ . 1 . 2]" 1
1361 1 80 GLN H 1 81 TYR H . . 4.150 2.348 1.932 2.644 . 0 0 "[ . 1 . 2]" 1
1362 1 80 GLN HA 1 80 GLN HE21 . . 3.880 2.918 2.416 3.434 . 0 0 "[ . 1 . 2]" 1
1363 1 80 GLN HA 1 80 GLN HE22 . . 4.900 3.312 3.056 3.573 . 0 0 "[ . 1 . 2]" 1
1364 1 80 GLN HA 1 80 GLN HG2 . . 4.080 2.757 2.428 2.888 . 0 0 "[ . 1 . 2]" 1
1365 1 80 GLN HA 1 80 GLN HG3 . . 3.750 3.595 3.538 3.640 . 0 0 "[ . 1 . 2]" 1
1366 1 80 GLN HA 1 83 LEU QD . . 3.350 3.023 2.847 3.276 . 0 0 "[ . 1 . 2]" 1
1367 1 80 GLN HB2 1 81 TYR H . . 3.940 2.849 2.758 3.018 . 0 0 "[ . 1 . 2]" 1
1368 1 80 GLN HB2 1 81 TYR HB3 . . 4.900 4.973 4.927 5.076 0.176 6 0 "[ . 1 . 2]" 1
1369 1 80 GLN HB3 1 81 TYR H . . 4.470 3.176 2.515 3.441 . 0 0 "[ . 1 . 2]" 1
1370 1 80 GLN HB3 1 83 LEU QD . . 5.220 4.826 4.538 5.147 . 0 0 "[ . 1 . 2]" 1
1371 1 80 GLN HE21 1 83 LEU QD . . 4.240 3.659 2.245 4.258 0.018 3 0 "[ . 1 . 2]" 1
1372 1 80 GLN HE22 1 80 GLN HG3 . . 3.790 3.816 3.752 4.002 0.212 14 0 "[ . 1 . 2]" 1
1373 1 80 GLN HE22 1 83 LEU QD . . 4.860 2.781 2.366 3.415 . 0 0 "[ . 1 . 2]" 1
1374 1 80 GLN HE22 1 83 LEU HG . . 5.370 5.188 3.964 5.503 0.133 6 0 "[ . 1 . 2]" 1
1375 1 80 GLN HE22 1 84 GLU HA . . 5.070 4.958 3.752 5.148 0.078 8 0 "[ . 1 . 2]" 1
1376 1 80 GLN HE22 1 84 GLU HG2 . . 5.070 4.123 3.521 4.798 . 0 0 "[ . 1 . 2]" 1
1377 1 80 GLN HE22 1 84 GLU HG3 . . 4.630 3.086 2.661 4.763 0.133 6 0 "[ . 1 . 2]" 1
1378 1 81 TYR H 1 81 TYR HB2 . . 3.560 2.601 2.534 2.650 . 0 0 "[ . 1 . 2]" 1
1379 1 81 TYR H 1 81 TYR HB3 . . 3.550 2.224 2.145 2.286 . 0 0 "[ . 1 . 2]" 1
1380 1 81 TYR H 1 81 TYR QD . . 4.070 4.064 3.983 4.104 0.034 9 0 "[ . 1 . 2]" 1
1381 1 81 TYR H 1 82 ARG H . . 4.690 2.849 2.790 2.938 . 0 0 "[ . 1 . 2]" 1
1382 1 81 TYR HA 1 81 TYR QD . . 3.320 2.955 2.730 3.131 . 0 0 "[ . 1 . 2]" 1
1383 1 81 TYR HA 1 84 GLU H . . 4.150 3.573 3.440 3.681 . 0 0 "[ . 1 . 2]" 1
1384 1 81 TYR HA 1 84 GLU HB3 . . 3.660 3.826 3.779 3.957 0.297 6 0 "[ . 1 . 2]" 1
1385 1 81 TYR HA 1 84 GLU HG3 . . 4.680 4.203 3.148 4.382 . 0 0 "[ . 1 . 2]" 1
1386 1 81 TYR HA 1 85 LEU QD . . 5.420 3.904 3.443 4.396 . 0 0 "[ . 1 . 2]" 1
1387 1 81 TYR HB2 1 82 ARG H . . 4.480 4.006 3.877 4.260 . 0 0 "[ . 1 . 2]" 1
1388 1 81 TYR HB3 1 82 ARG H . . 4.080 2.612 2.413 3.039 . 0 0 "[ . 1 . 2]" 1
1389 1 81 TYR QD 1 82 ARG H . . 4.500 2.909 2.520 3.542 . 0 0 "[ . 1 . 2]" 1
1390 1 81 TYR QD 1 82 ARG HA . . 4.650 3.324 2.850 3.719 . 0 0 "[ . 1 . 2]" 1
1391 1 81 TYR QD 1 82 ARG HB2 . . 3.370 2.961 2.619 3.513 0.143 17 0 "[ . 1 . 2]" 1
1392 1 81 TYR QD 1 82 ARG QD . . 4.410 3.602 2.709 4.421 0.011 6 0 "[ . 1 . 2]" 1
1393 1 81 TYR QD 1 85 LEU QD . . 3.970 3.432 3.276 3.582 . 0 0 "[ . 1 . 2]" 1
1394 1 81 TYR QE 1 82 ARG HA . . 5.390 4.120 3.722 4.612 . 0 0 "[ . 1 . 2]" 1
1395 1 81 TYR QE 1 82 ARG QD . . 4.900 3.379 2.244 4.364 . 0 0 "[ . 1 . 2]" 1
1396 1 81 TYR QE 1 82 ARG HG2 . . 5.500 4.725 2.635 5.533 0.033 3 0 "[ . 1 . 2]" 1
1397 1 81 TYR QE 1 85 LEU QD . . 3.380 3.026 2.739 3.378 . 0 0 "[ . 1 . 2]" 1
1398 1 81 TYR QE 1 85 LEU HG . . 4.810 4.696 4.103 4.844 0.034 8 0 "[ . 1 . 2]" 1
1399 1 82 ARG H 1 82 ARG QD . . 4.840 4.182 3.840 4.485 . 0 0 "[ . 1 . 2]" 1
1400 1 82 ARG H 1 82 ARG HG2 . . 4.970 4.223 2.855 4.817 . 0 0 "[ . 1 . 2]" 1
1401 1 82 ARG H 1 82 ARG HG3 . . 4.890 4.424 4.005 4.601 . 0 0 "[ . 1 . 2]" 1
1402 1 82 ARG H 1 85 LEU QD . . 5.500 4.748 4.555 4.907 . 0 0 "[ . 1 . 2]" 1
1403 1 82 ARG HA 1 82 ARG HG2 . . 3.940 3.441 2.472 3.729 . 0 0 "[ . 1 . 2]" 1
1404 1 82 ARG HA 1 85 LEU QD . . 3.140 3.074 2.809 3.203 0.063 6 0 "[ . 1 . 2]" 1
1405 1 82 ARG HB3 1 83 LEU H . . 4.050 3.208 2.878 3.760 . 0 0 "[ . 1 . 2]" 1
1406 1 82 ARG QD 1 85 LEU H . . 5.050 4.253 3.801 4.822 . 0 0 "[ . 1 . 2]" 1
1407 1 82 ARG QD 1 85 LEU QB . . 4.010 2.729 2.381 3.383 . 0 0 "[ . 1 . 2]" 1
1408 1 82 ARG QD 1 85 LEU QD . . 3.930 3.271 2.478 3.930 . 0 0 "[ . 1 . 2]" 1
1409 1 82 ARG QD 1 85 LEU HG . . 4.630 4.470 4.168 4.674 0.044 7 0 "[ . 1 . 2]" 1
1410 1 83 LEU H 1 83 LEU HB3 . . 3.880 2.504 2.330 2.752 . 0 0 "[ . 1 . 2]" 1
1411 1 83 LEU H 1 83 LEU QD . . 4.470 3.690 3.629 3.729 . 0 0 "[ . 1 . 2]" 1
1412 1 83 LEU H 1 83 LEU HG . . 4.350 4.326 4.134 4.427 0.077 15 0 "[ . 1 . 2]" 1
1413 1 83 LEU H 1 84 GLU H . . 3.540 2.468 2.385 2.542 . 0 0 "[ . 1 . 2]" 1
1414 1 83 LEU H 1 84 GLU HG3 . . 5.200 4.768 4.496 5.192 . 0 0 "[ . 1 . 2]" 1
1415 1 83 LEU HA 1 83 LEU QD . . 3.120 2.569 2.005 3.101 . 0 0 "[ . 1 . 2]" 1
1416 1 83 LEU HA 1 83 LEU HG . . 3.780 2.633 2.381 3.141 . 0 0 "[ . 1 . 2]" 1
1417 1 83 LEU HB3 1 84 GLU H . . 4.190 2.749 2.514 3.132 . 0 0 "[ . 1 . 2]" 1
1418 1 83 LEU QD 1 84 GLU H . . 4.700 3.683 3.152 4.234 . 0 0 "[ . 1 . 2]" 1
1419 1 83 LEU QD 1 84 GLU HG3 . . 5.340 3.729 2.916 5.245 . 0 0 "[ . 1 . 2]" 1
1420 1 83 LEU QD 1 87 GLN H . . 5.330 4.262 3.604 5.148 . 0 0 "[ . 1 . 2]" 1
1421 1 83 LEU QD 1 87 GLN HB2 . . 5.160 4.631 3.729 5.178 0.018 3 0 "[ . 1 . 2]" 1
1422 1 83 LEU HG 1 84 GLU H . . 4.870 4.644 4.056 4.973 0.103 20 0 "[ . 1 . 2]" 1
1423 1 84 GLU H 1 84 GLU HB2 . . 3.630 2.194 2.099 3.614 . 0 0 "[ . 1 . 2]" 1
1424 1 84 GLU H 1 84 GLU HB3 . . 3.680 3.403 2.634 3.469 . 0 0 "[ . 1 . 2]" 1
1425 1 84 GLU H 1 84 GLU HG2 . . 4.560 3.869 2.044 4.191 . 0 0 "[ . 1 . 2]" 1
1426 1 84 GLU H 1 84 GLU HG3 . . 3.410 2.832 2.553 3.130 . 0 0 "[ . 1 . 2]" 1
1427 1 84 GLU H 1 85 LEU H . . 3.560 2.705 2.460 2.845 . 0 0 "[ . 1 . 2]" 1
1428 1 84 GLU H 1 85 LEU QB . . 4.790 4.573 4.337 4.806 0.016 14 0 "[ . 1 . 2]" 1
1429 1 84 GLU HB2 1 85 LEU H . . 3.650 3.653 3.518 3.823 0.173 6 0 "[ . 1 . 2]" 1
1430 1 84 GLU HB3 1 85 LEU QD . . 4.380 3.270 2.446 4.434 0.054 6 0 "[ . 1 . 2]" 1
1431 1 85 LEU H 1 85 LEU QB . . 3.170 2.555 2.246 2.633 . 0 0 "[ . 1 . 2]" 1
1432 1 85 LEU H 1 85 LEU QD . . 3.980 3.217 2.373 3.662 . 0 0 "[ . 1 . 2]" 1
1433 1 85 LEU H 1 86 ALA H . . 4.190 1.857 1.781 2.614 . 0 0 "[ . 1 . 2]" 1
1434 1 85 LEU H 1 86 ALA MB . . 4.790 3.603 3.501 4.299 . 0 0 "[ . 1 . 2]" 1
1435 1 85 LEU HA 1 88 GLY H . . 4.470 3.875 3.600 4.439 . 0 0 "[ . 1 . 2]" 1
1436 1 85 LEU QB 1 85 LEU HG . . 2.400 2.274 2.130 2.407 0.007 19 0 "[ . 1 . 2]" 1
1437 1 85 LEU QB 1 86 ALA H . . 3.440 3.029 2.795 3.148 . 0 0 "[ . 1 . 2]" 1
1438 1 85 LEU QD 1 86 ALA H . . 4.500 4.174 3.944 4.379 . 0 0 "[ . 1 . 2]" 1
1439 1 85 LEU QD 1 88 GLY H . . 5.430 4.877 4.560 5.164 . 0 0 "[ . 1 . 2]" 1
1440 1 86 ALA H 1 86 ALA MB . . 3.160 2.196 2.163 2.225 . 0 0 "[ . 1 . 2]" 1
1441 1 86 ALA H 1 87 GLN H . . 3.590 2.603 2.507 2.766 . 0 0 "[ . 1 . 2]" 1
1442 1 86 ALA H 1 89 ALA MB . . 4.930 4.714 4.116 4.961 0.031 16 0 "[ . 1 . 2]" 1
1443 1 86 ALA HA 1 89 ALA MB . . 3.760 2.585 2.291 2.809 . 0 0 "[ . 1 . 2]" 1
1444 1 86 ALA HA 1 90 VAL H . . 3.950 3.781 3.350 3.958 0.008 2 0 "[ . 1 . 2]" 1
1445 1 86 ALA MB 1 87 GLN H . . 3.770 2.772 2.600 3.159 . 0 0 "[ . 1 . 2]" 1
1446 1 86 ALA MB 1 87 GLN HG3 . . 4.830 3.639 3.089 4.819 . 0 0 "[ . 1 . 2]" 1
1447 1 86 ALA MB 1 88 GLY H . . 5.220 4.108 4.065 4.181 . 0 0 "[ . 1 . 2]" 1
1448 1 86 ALA MB 1 89 ALA H . . 4.840 4.455 4.335 4.575 . 0 0 "[ . 1 . 2]" 1
1449 1 86 ALA MB 1 89 ALA MB . . 4.560 3.950 3.684 4.168 . 0 0 "[ . 1 . 2]" 1
1450 1 86 ALA MB 1 90 VAL H . . 4.370 4.361 4.179 4.449 0.079 4 0 "[ . 1 . 2]" 1
1451 1 86 ALA MB 1 90 VAL QG . . 4.230 3.856 3.521 4.234 0.004 7 0 "[ . 1 . 2]" 1
1452 1 87 GLN H 1 87 GLN HB2 . . 3.710 2.344 2.266 2.410 . 0 0 "[ . 1 . 2]" 1
1453 1 87 GLN H 1 87 GLN HB3 . . 3.460 3.532 3.519 3.550 0.090 4 0 "[ . 1 . 2]" 1
1454 1 87 GLN H 1 87 GLN HG2 . . 3.940 3.166 2.296 3.534 . 0 0 "[ . 1 . 2]" 1
1455 1 87 GLN H 1 87 GLN HG3 . . 3.890 2.570 2.101 3.632 . 0 0 "[ . 1 . 2]" 1
1456 1 87 GLN H 1 88 GLY H . . 3.600 2.760 2.715 2.796 . 0 0 "[ . 1 . 2]" 1
1457 1 87 GLN H 1 88 GLY HA3 . . 4.850 4.868 4.849 4.906 0.056 7 0 "[ . 1 . 2]" 1
1458 1 87 GLN H 1 89 ALA H . . 4.410 4.305 3.876 4.423 0.013 12 0 "[ . 1 . 2]" 1
1459 1 87 GLN H 1 89 ALA MB . . 5.300 5.041 4.587 5.224 . 0 0 "[ . 1 . 2]" 1
1460 1 87 GLN HA 1 87 GLN HG2 . . 3.440 2.587 2.423 2.955 . 0 0 "[ . 1 . 2]" 1
1461 1 87 GLN HB2 1 88 GLY H . . 4.390 3.711 3.646 3.773 . 0 0 "[ . 1 . 2]" 1
1462 1 87 GLN HB3 1 88 GLY H . . 4.370 4.359 4.323 4.386 0.016 17 0 "[ . 1 . 2]" 1
1463 1 88 GLY H 1 89 ALA H . . 3.260 1.979 1.759 2.098 . 0 0 "[ . 1 . 2]" 1
1464 1 88 GLY H 1 89 ALA HA . . 4.760 4.578 4.458 4.658 . 0 0 "[ . 1 . 2]" 1
1465 1 88 GLY H 1 89 ALA MB . . 4.380 3.485 3.362 3.531 . 0 0 "[ . 1 . 2]" 1
1466 1 88 GLY HA2 1 89 ALA MB . . 5.500 4.697 4.598 5.028 . 0 0 "[ . 1 . 2]" 1
1467 1 88 GLY HA3 1 89 ALA MB . . 5.090 4.255 4.135 4.582 . 0 0 "[ . 1 . 2]" 1
1468 1 89 ALA H 1 89 ALA MB . . 2.950 2.551 2.195 2.665 . 0 0 "[ . 1 . 2]" 1
1469 1 89 ALA H 1 90 VAL QG . . 5.320 3.176 2.963 4.097 . 0 0 "[ . 1 . 2]" 1
1470 1 89 ALA HA 1 90 VAL QG . . 5.170 4.642 4.548 4.728 . 0 0 "[ . 1 . 2]" 1
1471 1 89 ALA MB 1 90 VAL H . . 3.690 3.087 2.865 3.228 . 0 0 "[ . 1 . 2]" 1
1472 1 89 ALA MB 1 90 VAL HA . . 4.050 4.040 3.980 4.079 0.029 1 0 "[ . 1 . 2]" 1
1473 1 89 ALA MB 1 90 VAL HB . . 4.650 4.394 4.225 4.574 . 0 0 "[ . 1 . 2]" 1
1474 1 89 ALA MB 1 90 VAL QG . . 4.270 4.216 4.087 4.281 0.011 19 0 "[ . 1 . 2]" 1
1475 1 89 ALA MB 1 92 SER QB . . 4.650 3.914 3.285 4.675 0.025 19 0 "[ . 1 . 2]" 1
1476 1 90 VAL H 1 90 VAL HA . . 2.930 2.863 2.828 2.906 . 0 0 "[ . 1 . 2]" 1
1477 1 90 VAL H 1 90 VAL HB . . 3.130 2.368 2.280 2.434 . 0 0 "[ . 1 . 2]" 1
1478 1 90 VAL H 1 90 VAL QG . . 3.240 2.083 2.016 2.239 . 0 0 "[ . 1 . 2]" 1
1479 1 90 VAL H 1 91 GLY H . . 3.340 2.572 2.435 2.750 . 0 0 "[ . 1 . 2]" 1
1480 1 90 VAL H 1 91 GLY QA . . 4.880 4.538 4.429 4.700 . 0 0 "[ . 1 . 2]" 1
1481 1 90 VAL H 1 92 SER H . . 5.200 4.110 3.380 4.566 . 0 0 "[ . 1 . 2]" 1
1482 1 90 VAL HA 1 90 VAL QG . . 3.080 2.254 2.213 2.287 . 0 0 "[ . 1 . 2]" 1
1483 1 90 VAL HB 1 91 GLY H . . 3.970 4.088 4.051 4.111 0.141 11 0 "[ . 1 . 2]" 1
1484 1 90 VAL QG 1 91 GLY H . . 3.840 2.576 2.479 2.684 . 0 0 "[ . 1 . 2]" 1
1485 1 90 VAL QG 1 91 GLY QA . . 5.390 2.972 2.878 3.038 . 0 0 "[ . 1 . 2]" 1
1486 1 91 GLY H 1 91 GLY QA . . 2.730 2.447 2.335 2.524 . 0 0 "[ . 1 . 2]" 1
1487 1 92 SER H 1 92 SER QB . . 3.140 2.677 2.366 3.220 0.080 19 0 "[ . 1 . 2]" 1
1488 1 92 SER HA 1 92 SER QB . . 2.600 2.345 2.166 2.410 . 0 0 "[ . 1 . 2]" 1
1489 1 92 SER HA 1 93 VAL H . . 2.790 2.602 2.354 2.807 0.017 9 0 "[ . 1 . 2]" 1
1490 1 92 SER HA 1 93 VAL HA . . 4.500 4.527 4.464 4.559 0.059 20 0 "[ . 1 . 2]" 1
1491 1 92 SER HA 1 93 VAL QG . . 3.780 3.232 2.933 3.567 . 0 0 "[ . 1 . 2]" 1
1492 1 92 SER HA 1 94 GLN QE . . 5.500 4.720 2.462 5.263 . 0 0 "[ . 1 . 2]" 1
1493 1 92 SER QB 1 93 VAL H . . 3.220 2.107 1.822 2.474 . 0 0 "[ . 1 . 2]" 1
1494 1 92 SER QB 1 93 VAL HA . . 4.670 4.082 3.943 4.350 . 0 0 "[ . 1 . 2]" 1
1495 1 92 SER QB 1 93 VAL QG . . 3.860 3.848 3.574 3.936 0.076 1 0 "[ . 1 . 2]" 1
1496 1 92 SER QB 1 94 GLN HB3 . . 4.510 4.150 3.402 4.618 0.108 18 0 "[ . 1 . 2]" 1
1497 1 92 SER QB 1 94 GLN QE . . 3.380 2.771 2.051 3.310 . 0 0 "[ . 1 . 2]" 1
1498 1 93 VAL H 1 93 VAL HB . . 3.170 3.028 2.754 3.299 0.129 20 0 "[ . 1 . 2]" 1
1499 1 93 VAL H 1 93 VAL QG . . 3.150 2.572 2.170 2.893 . 0 0 "[ . 1 . 2]" 1
1500 1 93 VAL H 1 94 GLN H . . 3.800 3.282 2.255 4.064 0.264 3 0 "[ . 1 . 2]" 1
1501 1 93 VAL H 1 94 GLN QE . . 4.510 3.768 2.287 4.196 . 0 0 "[ . 1 . 2]" 1
1502 1 93 VAL HA 1 93 VAL HB . . 2.930 2.771 2.413 3.032 0.102 1 0 "[ . 1 . 2]" 1
1503 1 93 VAL HA 1 93 VAL QG . . 2.850 2.187 2.082 2.327 . 0 0 "[ . 1 . 2]" 1
1504 1 93 VAL HA 1 94 GLN H . . 2.730 2.372 2.029 2.788 0.058 19 0 "[ . 1 . 2]" 1
1505 1 93 VAL HA 1 94 GLN QE . . 5.030 3.513 2.902 4.815 . 0 0 "[ . 1 . 2]" 1
1506 1 93 VAL HA 1 94 GLN QG . . 4.580 4.593 4.489 4.727 0.147 7 0 "[ . 1 . 2]" 1
1507 1 93 VAL QG 1 94 GLN H . . 3.630 3.245 2.623 3.749 0.119 7 0 "[ . 1 . 2]" 1
1508 1 93 VAL QG 1 94 GLN HA . . 4.010 3.812 3.365 4.524 0.514 14 1 "[ . 1 +. 2]" 1
1509 1 93 VAL QG 1 95 ILE HA . . 5.230 4.868 4.431 6.352 1.122 7 1 "[ . + 1 . 2]" 1
1510 1 93 VAL QG 1 96 PRO QB . . 4.140 4.518 2.367 5.635 1.495 17 14 "[ ***** **** *.*+*-2]" 1
1511 1 93 VAL QG 1 96 PRO QD . . 3.750 4.202 2.192 5.261 1.511 8 13 "[ -**** +*** *.*** 2]" 1
1512 1 93 VAL QG 1 96 PRO QG . . 4.510 4.825 2.588 6.137 1.627 8 13 "[ ***** +-** *.*** 2]" 1
1513 1 94 GLN H 1 94 GLN HB3 . . 3.180 3.093 2.470 3.537 0.357 7 0 "[ . 1 . 2]" 1
1514 1 94 GLN H 1 94 GLN QE . . 4.600 2.607 1.821 3.690 . 0 0 "[ . 1 . 2]" 1
1515 1 94 GLN H 1 94 GLN QG . . 3.650 2.765 2.040 3.346 . 0 0 "[ . 1 . 2]" 1
1516 1 94 GLN HA 1 94 GLN HB2 . . 2.970 2.561 2.424 3.030 0.060 7 0 "[ . 1 . 2]" 1
1517 1 94 GLN HA 1 94 GLN QG . . 3.480 3.298 2.220 3.518 0.038 5 0 "[ . 1 . 2]" 1
1518 1 94 GLN HB3 1 94 GLN QE . . 4.070 3.264 2.447 3.748 . 0 0 "[ . 1 . 2]" 1
1519 1 94 GLN QE 1 95 ILE QG . . 5.170 3.431 2.158 5.019 . 0 0 "[ . 1 . 2]" 1
1520 1 95 ILE HA 1 95 ILE QG . . 3.510 3.303 2.635 3.346 . 0 0 "[ . 1 . 2]" 1
1521 1 95 ILE HA 1 95 ILE MG . . 3.480 2.268 2.206 2.301 . 0 0 "[ . 1 . 2]" 1
1522 1 95 ILE QG 1 96 PRO QD . . 5.140 3.619 2.065 4.108 . 0 0 "[ . 1 . 2]" 1
1523 1 96 PRO HA 1 97 VAL H . . 2.400 2.359 2.260 2.425 0.025 18 0 "[ . 1 . 2]" 1
1524 1 96 PRO HA 1 97 VAL HA . . 4.460 4.509 4.492 4.521 0.061 5 0 "[ . 1 . 2]" 1
1525 1 96 PRO HA 1 98 VAL H . . 5.220 3.799 2.984 3.991 . 0 0 "[ . 1 . 2]" 1
1526 1 96 PRO QB 1 97 VAL H . . 3.550 2.650 2.455 2.858 . 0 0 "[ . 1 . 2]" 1
1527 1 97 VAL H 1 98 VAL QG . . 3.080 2.840 2.509 3.154 0.074 20 0 "[ . 1 . 2]" 1
1528 1 98 VAL H 1 98 VAL QG . . 3.450 2.153 1.737 2.352 . 0 0 "[ . 1 . 2]" 1
1529 1 98 VAL H 1 99 GLU H . . 3.170 2.519 1.880 3.102 . 0 0 "[ . 1 . 2]" 1
1530 1 98 VAL HA 1 98 VAL HB . . 2.950 2.525 2.414 3.030 0.080 5 0 "[ . 1 . 2]" 1
1531 1 98 VAL HB 1 99 GLU H . . 4.690 4.346 3.262 4.553 . 0 0 "[ . 1 . 2]" 1
1532 1 99 GLU H 1 99 GLU HB2 . . 3.910 3.121 1.969 3.904 . 0 0 "[ . 1 . 2]" 1
1533 1 99 GLU H 1 99 GLU HB3 . . 2.980 2.870 2.460 3.366 0.386 20 0 "[ . 1 . 2]" 1
1534 1 99 GLU H 1 99 GLU QG . . 3.380 2.466 1.976 3.580 0.200 9 0 "[ . 1 . 2]" 1
1535 1 99 GLU HA 1 99 GLU HB3 . . 3.010 2.587 2.448 3.010 . 0 0 "[ . 1 . 2]" 1
1536 1 99 GLU HA 1 99 GLU QG . . 3.620 3.033 2.118 3.533 . 0 0 "[ . 1 . 2]" 1
1537 1 99 GLU HA 1 100 VAL H . . 2.510 2.429 2.192 2.699 0.189 5 0 "[ . 1 . 2]" 1
1538 1 99 GLU HA 1 100 VAL QG . . 3.650 3.571 3.186 3.690 0.040 4 0 "[ . 1 . 2]" 1
1539 1 99 GLU HB2 1 100 VAL QG . . 5.350 4.629 3.922 5.376 0.026 19 0 "[ . 1 . 2]" 1
1540 1 100 VAL H 1 100 VAL HA . . 2.900 2.921 2.822 2.954 0.054 15 0 "[ . 1 . 2]" 1
1541 1 100 VAL H 1 100 VAL HB . . 2.900 2.886 2.422 3.074 0.174 18 0 "[ . 1 . 2]" 1
1542 1 100 VAL H 1 100 VAL QG . . 3.070 2.352 1.855 2.942 . 0 0 "[ . 1 . 2]" 1
1543 1 100 VAL HA 1 100 VAL QG . . 2.830 2.227 2.125 2.334 . 0 0 "[ . 1 . 2]" 1
1544 1 100 VAL HA 1 101 ASP H . . 2.590 2.403 2.250 2.763 0.173 20 0 "[ . 1 . 2]" 1
1545 1 100 VAL QG 1 101 ASP H . . 3.520 2.127 1.814 3.539 0.019 20 0 "[ . 1 . 2]" 1
1546 1 100 VAL QG 1 101 ASP HA . . 4.300 3.354 3.172 3.817 . 0 0 "[ . 1 . 2]" 1
1547 1 100 VAL QG 1 101 ASP HB2 . . 4.670 4.207 3.385 4.470 . 0 0 "[ . 1 . 2]" 1
1548 1 100 VAL QG 1 101 ASP HB3 . . 4.670 4.321 3.327 4.789 0.119 1 0 "[ . 1 . 2]" 1
1549 1 100 VAL QG 1 102 GLU QG . . 4.480 3.730 2.511 5.845 1.365 20 3 "[ . * - . +]" 1
1550 1 101 ASP H 1 101 ASP HB2 . . 3.160 3.101 2.485 3.230 0.070 17 0 "[ . 1 . 2]" 1
1551 1 101 ASP H 1 101 ASP HB3 . . 3.780 2.983 2.453 3.844 0.064 1 0 "[ . 1 . 2]" 1
1552 1 101 ASP HA 1 101 ASP HB3 . . 2.960 2.950 2.505 3.033 0.073 2 0 "[ . 1 . 2]" 1
1553 1 101 ASP HA 1 102 GLU H . . 2.750 2.518 2.324 2.867 0.117 16 0 "[ . 1 . 2]" 1
1554 1 101 ASP HA 1 102 GLU HA . . 4.500 4.471 4.331 4.549 0.049 14 0 "[ . 1 . 2]" 1
1555 1 101 ASP HA 1 102 GLU HB2 . . 5.500 4.895 4.463 5.529 0.029 6 0 "[ . 1 . 2]" 1
1556 1 101 ASP HB2 1 102 GLU H . . 4.320 3.932 3.448 4.447 0.127 14 0 "[ . 1 . 2]" 1
1557 1 101 ASP HB3 1 102 GLU H . . 4.150 3.420 2.191 4.052 . 0 0 "[ . 1 . 2]" 1
1558 1 102 GLU H 1 102 GLU HB2 . . 3.210 2.727 2.539 2.867 . 0 0 "[ . 1 . 2]" 1
1559 1 102 GLU H 1 102 GLU HB3 . . 3.790 3.767 3.574 3.868 0.078 18 0 "[ . 1 . 2]" 1
1560 1 102 GLU H 1 102 GLU QG . . 3.530 2.538 1.976 3.077 . 0 0 "[ . 1 . 2]" 1
1561 1 102 GLU HA 1 102 GLU HB3 . . 2.940 2.396 2.355 2.462 . 0 0 "[ . 1 . 2]" 1
1562 1 102 GLU HA 1 102 GLU QG . . 3.210 2.613 2.426 3.044 . 0 0 "[ . 1 . 2]" 1
1563 1 102 GLU HA 1 103 LEU H . . 2.620 2.631 2.598 2.655 0.035 5 0 "[ . 1 . 2]" 1
1564 1 102 GLU HB2 1 103 LEU H . . 2.920 2.989 2.953 3.039 0.119 13 0 "[ . 1 . 2]" 1
1565 1 102 GLU HB3 1 103 LEU MD2 . . 5.040 4.151 2.173 5.412 0.372 15 0 "[ . 1 . 2]" 1
1566 1 103 LEU H 1 103 LEU HB2 . . 3.370 2.868 2.406 3.602 0.232 15 0 "[ . 1 . 2]" 1
1567 1 103 LEU H 1 103 LEU HB3 . . 3.600 3.438 2.384 3.748 0.148 18 0 "[ . 1 . 2]" 1
1568 1 103 LEU H 1 103 LEU MD2 . . 4.040 2.881 1.678 3.970 . 0 0 "[ . 1 . 2]" 1
1569 1 103 LEU H 1 103 LEU HG . . 3.780 2.611 1.774 3.806 0.026 1 0 "[ . 1 . 2]" 1
1570 1 103 LEU H 1 104 PRO HD2 . . 5.070 4.904 4.779 4.994 . 0 0 "[ . 1 . 2]" 1
1571 1 103 LEU HA 1 103 LEU MD1 . . 4.390 3.375 2.064 4.102 . 0 0 "[ . 1 . 2]" 1
1572 1 103 LEU HA 1 103 LEU MD2 . . 3.390 2.950 2.157 4.091 0.701 13 5 "[ - 1* + * * 2]" 1
1573 1 103 LEU HA 1 103 LEU HG . . 4.030 3.520 3.192 3.771 . 0 0 "[ . 1 . 2]" 1
1574 1 103 LEU HA 1 104 PRO HD2 . . 2.940 2.789 2.434 2.929 . 0 0 "[ . 1 . 2]" 1
1575 1 103 LEU HA 1 104 PRO HD3 . . 2.830 2.197 2.057 2.285 . 0 0 "[ . 1 . 2]" 1
1576 1 103 LEU HB2 1 103 LEU MD1 . . 3.320 2.577 2.275 3.230 . 0 0 "[ . 1 . 2]" 1
1577 1 103 LEU HB2 1 104 PRO HD2 . . 3.850 2.930 1.980 3.486 . 0 0 "[ . 1 . 2]" 1
1578 1 103 LEU HB2 1 104 PRO HD3 . . 4.010 3.933 3.085 4.195 0.185 6 0 "[ . 1 . 2]" 1
1579 1 103 LEU HB2 1 107 TYR QB . . 4.000 3.688 2.780 4.034 0.034 18 0 "[ . 1 . 2]" 1
1580 1 103 LEU HB2 1 107 TYR QD . . 4.940 3.316 2.806 4.956 0.016 16 0 "[ . 1 . 2]" 1
1581 1 103 LEU HB3 1 103 LEU MD1 . . 3.410 2.590 2.324 3.252 . 0 0 "[ . 1 . 2]" 1
1582 1 103 LEU HB3 1 104 PRO HD2 . . 3.560 2.239 1.888 3.520 . 0 0 "[ . 1 . 2]" 1
1583 1 103 LEU HB3 1 104 PRO HD3 . . 3.920 3.194 2.870 4.047 0.127 8 0 "[ . 1 . 2]" 1
1584 1 103 LEU HB3 1 107 TYR H . . 4.990 4.110 3.381 5.033 0.043 8 0 "[ . 1 . 2]" 1
1585 1 103 LEU HB3 1 107 TYR QB . . 3.890 2.856 2.241 3.901 0.011 13 0 "[ . 1 . 2]" 1
1586 1 103 LEU HB3 1 107 TYR QD . . 4.860 3.122 2.438 4.251 . 0 0 "[ . 1 . 2]" 1
1587 1 103 LEU MD1 1 104 PRO HD2 . . 4.500 3.636 2.871 4.036 . 0 0 "[ . 1 . 2]" 1
1588 1 103 LEU MD1 1 107 TYR QB . . 4.510 3.275 2.203 5.104 0.594 11 1 "[ . 1+ . 2]" 1
1589 1 103 LEU MD1 1 107 TYR QD . . 4.430 3.292 2.616 4.646 0.216 13 0 "[ . 1 . 2]" 1
1590 1 103 LEU MD1 1 107 TYR QE . . 4.300 3.735 2.739 4.766 0.466 17 0 "[ . 1 . 2]" 1
1591 1 103 LEU MD2 1 104 PRO HD2 . . 4.060 3.949 3.257 4.708 0.648 20 6 "[* .**- 1 . *+]" 1
1592 1 103 LEU MD2 1 104 PRO HD3 . . 4.560 4.277 3.297 5.269 0.709 11 5 "[ - 1+ * * * 2]" 1
1593 1 103 LEU MD2 1 107 TYR QD . . 4.870 3.786 2.261 4.770 . 0 0 "[ . 1 . 2]" 1
1594 1 103 LEU MD2 1 107 TYR QE . . 5.390 4.115 2.268 5.577 0.187 4 0 "[ . 1 . 2]" 1
1595 1 103 LEU HG 1 105 GLU H . . 4.950 4.715 1.811 5.026 0.076 4 0 "[ . 1 . 2]" 1
1596 1 104 PRO HA 1 105 GLU QB . . 4.070 4.054 3.858 4.185 0.115 20 0 "[ . 1 . 2]" 1
1597 1 104 PRO HB2 1 105 GLU H . . 4.560 4.341 3.988 4.438 . 0 0 "[ . 1 . 2]" 1
1598 1 104 PRO HD2 1 105 GLU H . . 4.750 3.129 2.529 3.601 . 0 0 "[ . 1 . 2]" 1
1599 1 104 PRO HD2 1 107 TYR QB . . 3.920 2.250 2.055 2.650 . 0 0 "[ . 1 . 2]" 1
1600 1 104 PRO HD2 1 107 TYR QD . . 4.700 3.317 2.740 3.869 . 0 0 "[ . 1 . 2]" 1
1601 1 104 PRO HD3 1 105 GLU H . . 4.540 4.109 3.765 4.376 . 0 0 "[ . 1 . 2]" 1
1602 1 104 PRO HD3 1 107 TYR QB . . 4.980 3.531 3.126 3.921 . 0 0 "[ . 1 . 2]" 1
1603 1 104 PRO HD3 1 107 TYR QD . . 5.500 4.824 3.477 5.510 0.010 17 0 "[ . 1 . 2]" 1
1604 1 104 PRO QG 1 105 GLU H . . 4.040 3.667 3.070 3.924 . 0 0 "[ . 1 . 2]" 1
1605 1 104 PRO QG 1 106 GLY H . . 4.080 2.477 2.276 2.920 . 0 0 "[ . 1 . 2]" 1
1606 1 104 PRO QG 1 106 GLY HA3 . . 4.690 3.740 3.382 4.690 . 0 0 "[ . 1 . 2]" 1
1607 1 104 PRO QG 1 107 TYR H . . 4.490 2.798 1.735 3.202 . 0 0 "[ . 1 . 2]" 1
1608 1 104 PRO QG 1 107 TYR QB . . 4.100 3.123 2.386 3.645 . 0 0 "[ . 1 . 2]" 1
1609 1 104 PRO QG 1 107 TYR QD . . 4.700 4.036 2.756 4.607 . 0 0 "[ . 1 . 2]" 1
1610 1 105 GLU H 1 105 GLU QB . . 3.410 3.069 2.749 3.428 0.018 20 0 "[ . 1 . 2]" 1
1611 1 105 GLU H 1 105 GLU QG . . 4.020 3.312 2.581 3.992 . 0 0 "[ . 1 . 2]" 1
1612 1 105 GLU HA 1 105 GLU QB . . 2.690 2.384 2.146 2.432 . 0 0 "[ . 1 . 2]" 1
1613 1 105 GLU HA 1 105 GLU QG . . 3.330 2.456 2.264 3.359 0.029 13 0 "[ . 1 . 2]" 1
1614 1 105 GLU HA 1 106 GLY H . . 3.020 2.985 2.904 3.133 0.113 20 0 "[ . 1 . 2]" 1
1615 1 105 GLU QG 1 106 GLY H . . 5.040 4.383 3.415 4.655 . 0 0 "[ . 1 . 2]" 1
1616 1 106 GLY H 1 107 TYR H . . 3.630 1.842 1.749 1.912 . 0 0 "[ . 1 . 2]" 1
1617 1 106 GLY H 1 107 TYR QD . . 5.120 3.012 2.564 4.465 . 0 0 "[ . 1 . 2]" 1
1618 1 106 GLY HA3 1 107 TYR QD . . 5.350 4.862 4.242 5.420 0.070 16 0 "[ . 1 . 2]" 1
1619 1 107 TYR H 1 107 TYR QD . . 3.740 2.189 1.675 3.766 0.026 16 0 "[ . 1 . 2]" 1
1620 1 107 TYR HA 1 107 TYR QB . . 2.640 2.165 2.116 2.510 . 0 0 "[ . 1 . 2]" 1
1621 1 107 TYR HA 1 107 TYR QD . . 3.640 3.634 2.232 3.728 0.088 6 0 "[ . 1 . 2]" 1
1622 1 107 TYR HA 1 108 ASP H . . 2.800 2.628 2.496 2.880 0.080 20 0 "[ . 1 . 2]" 1
1623 1 107 TYR QB 1 108 ASP H . . 3.310 2.127 1.821 2.637 . 0 0 "[ . 1 . 2]" 1
1624 1 107 TYR QB 1 108 ASP HA . . 5.500 4.541 3.932 4.667 . 0 0 "[ . 1 . 2]" 1
1625 1 107 TYR QB 1 108 ASP HB2 . . 4.650 4.334 3.904 4.810 0.160 16 0 "[ . 1 . 2]" 1
1626 1 107 TYR QD 1 108 ASP H . . 4.290 2.924 2.358 3.762 . 0 0 "[ . 1 . 2]" 1
1627 1 107 TYR QD 1 108 ASP HA . . 4.850 4.601 4.095 4.870 0.020 13 0 "[ . 1 . 2]" 1
1628 1 107 TYR QD 1 108 ASP HB2 . . 5.500 4.753 3.300 5.448 . 0 0 "[ . 1 . 2]" 1
1629 1 107 TYR QD 1 109 ARG HA . . 5.050 3.806 2.281 4.696 . 0 0 "[ . 1 . 2]" 1
1630 1 107 TYR QD 1 109 ARG QG . . 5.270 4.094 1.997 5.299 0.029 7 0 "[ . 1 . 2]" 1
1631 1 107 TYR QD 1 110 SER HA . . 5.500 4.805 3.255 5.536 0.036 16 0 "[ . 1 . 2]" 1
1632 1 107 TYR QE 1 108 ASP H . . 5.370 4.990 3.892 5.416 0.046 14 0 "[ . 1 . 2]" 1
1633 1 107 TYR QE 1 109 ARG HA . . 4.170 3.428 2.354 4.310 0.140 8 0 "[ . 1 . 2]" 1
1634 1 107 TYR QE 1 109 ARG HB2 . . 5.100 4.053 2.079 5.152 0.052 16 0 "[ . 1 . 2]" 1
1635 1 107 TYR QE 1 109 ARG HB3 . . 5.080 3.825 2.047 5.107 0.027 5 0 "[ . 1 . 2]" 1
1636 1 107 TYR QE 1 110 SER HA . . 4.120 3.417 2.426 4.125 0.005 13 0 "[ . 1 . 2]" 1
1637 1 108 ASP H 1 108 ASP HB2 . . 3.050 2.598 2.386 3.105 0.055 16 0 "[ . 1 . 2]" 1
1638 1 108 ASP HA 1 108 ASP HB2 . . 2.940 2.746 2.499 3.028 0.088 7 0 "[ . 1 . 2]" 1
1639 1 108 ASP HA 1 109 ARG H . . 2.930 2.996 2.872 3.096 0.166 3 0 "[ . 1 . 2]" 1
1640 1 109 ARG H 1 109 ARG HB3 . . 3.810 3.565 2.871 3.956 0.146 13 0 "[ . 1 . 2]" 1
1641 1 109 ARG H 1 109 ARG QD . . 5.350 4.374 2.400 5.176 . 0 0 "[ . 1 . 2]" 1
1642 1 109 ARG HA 1 109 ARG HB3 . . 2.930 2.600 2.374 3.018 0.088 10 0 "[ . 1 . 2]" 1
1643 1 109 ARG HA 1 109 ARG QD . . 3.960 3.596 1.956 4.203 0.243 2 0 "[ . 1 . 2]" 1
1644 1 109 ARG HA 1 109 ARG QG . . 3.310 2.630 2.203 3.346 0.036 4 0 "[ . 1 . 2]" 1
1645 1 109 ARG HB2 1 109 ARG QD . . 3.920 2.595 2.224 3.536 . 0 0 "[ . 1 . 2]" 1
1646 1 109 ARG HB3 1 109 ARG QD . . 3.520 2.549 2.309 3.553 0.033 7 0 "[ . 1 . 2]" 1
1647 1 110 SER H 1 110 SER QB . . 3.540 2.659 2.201 3.202 . 0 0 "[ . 1 . 2]" 1
1648 1 110 SER HA 1 110 SER QB . . 2.600 2.317 2.184 2.386 . 0 0 "[ . 1 . 2]" 1
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