NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
518047 |
2lge   |
17806 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lge
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 1605
_Distance_constraint_stats_list.Viol_count 3449
_Distance_constraint_stats_list.Viol_total 6542.999
_Distance_constraint_stats_list.Viol_max 0.973
_Distance_constraint_stats_list.Viol_rms 0.0480
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.0949
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.477 0.081 12 0 "[ . 1 . 2]"
1 3 ASP 1.203 0.092 7 0 "[ . 1 . 2]"
1 4 ASP 1.897 0.404 20 0 "[ . 1 . 2]"
1 5 GLU 0.922 0.082 3 0 "[ . 1 . 2]"
1 6 PRO 1.952 0.111 2 0 "[ . 1 . 2]"
1 7 GLY 1.473 0.111 2 0 "[ . 1 . 2]"
1 8 GLY 3.999 0.711 17 3 "[ *- . 1 . + 2]"
1 9 LYS 12.347 0.711 17 4 "[ -* . 1 . + *2]"
1 10 GLY 8.064 0.626 19 2 "[ - . 1 . +2]"
1 11 ALA 9.432 0.798 7 6 "[ .*+ *1 * . *-2]"
1 12 MET 12.241 0.699 4 7 "[ +. * 1* ** * -]"
1 13 TYR 1.210 0.259 17 0 "[ . 1 . 2]"
1 14 GLU 1.826 0.087 4 0 "[ . 1 . 2]"
1 15 VAL 5.988 0.510 8 1 "[ . + 1 . 2]"
1 16 THR 5.319 0.427 8 0 "[ . 1 . 2]"
1 17 ILE 10.434 0.124 12 0 "[ . 1 . 2]"
1 18 GLU 2.515 0.108 15 0 "[ . 1 . 2]"
1 19 GLN 5.173 0.112 12 0 "[ . 1 . 2]"
1 20 SER 2.804 0.127 14 0 "[ . 1 . 2]"
1 21 GLY 2.811 0.443 8 0 "[ . 1 . 2]"
1 22 ASP 3.384 0.774 14 1 "[ . 1 +. 2]"
1 23 PHE 4.121 0.559 18 1 "[ . 1 . + 2]"
1 24 ARG 9.328 0.559 18 4 "[ * - 1 .* + 2]"
1 25 SER 0.336 0.075 14 0 "[ . 1 . 2]"
1 26 PHE 3.694 0.107 7 0 "[ . 1 . 2]"
1 27 ILE 2.988 0.105 1 0 "[ . 1 . 2]"
1 28 LYS 1.409 0.970 17 1 "[ . 1 . + 2]"
1 29 SER 3.136 0.517 2 1 "[ + . 1 . 2]"
1 30 VAL 4.392 0.517 2 1 "[ + . 1 . 2]"
1 31 VAL 3.212 0.111 14 0 "[ . 1 . 2]"
1 32 VAL 0.538 0.081 15 0 "[ . 1 . 2]"
1 33 VAL 5.386 0.626 11 1 "[ . 1+ . 2]"
1 34 ALA 1.184 0.112 1 0 "[ . 1 . 2]"
1 35 ASN 6.226 0.861 19 2 "[ . - . +2]"
1 36 GLY 1.217 0.091 19 0 "[ . 1 . 2]"
1 37 THR 2.872 0.106 6 0 "[ . 1 . 2]"
1 38 GLN 7.553 0.853 13 1 "[ . 1 + . 2]"
1 39 LEU 3.750 0.213 18 0 "[ . 1 . 2]"
1 40 LYS 6.183 0.106 10 0 "[ . 1 . 2]"
1 41 ASP 1.864 0.080 6 0 "[ . 1 . 2]"
1 42 GLY 2.176 0.100 14 0 "[ . 1 . 2]"
1 43 ALA 1.436 0.106 12 0 "[ . 1 . 2]"
1 44 THR 3.578 0.106 12 0 "[ . 1 . 2]"
1 45 GLY 2.745 0.087 19 0 "[ . 1 . 2]"
1 46 GLU 2.429 0.452 14 0 "[ . 1 . 2]"
1 47 SER 8.370 0.710 4 2 "[ +. -1 . 2]"
1 48 LEU 7.212 0.213 18 0 "[ . 1 . 2]"
1 49 ALA 5.249 0.117 7 0 "[ . 1 . 2]"
1 50 SER 6.310 0.477 3 0 "[ . 1 . 2]"
1 51 PRO 6.336 0.626 11 1 "[ . 1+ . 2]"
1 52 VAL 18.905 0.525 17 2 "[ - . 1 . + 2]"
1 53 ILE 10.109 0.293 2 0 "[ . 1 . 2]"
1 54 LEU 3.194 0.361 7 0 "[ . 1 . 2]"
1 55 SER 3.505 0.366 1 0 "[ . 1 . 2]"
1 56 ASP 3.985 0.366 1 0 "[ . 1 . 2]"
1 57 GLU 2.470 0.089 5 0 "[ . 1 . 2]"
1 58 GLU 3.731 0.101 6 0 "[ . 1 . 2]"
1 59 LEU 3.685 0.092 8 0 "[ . 1 . 2]"
1 60 ALA 3.259 0.112 12 0 "[ . 1 . 2]"
1 61 VAL 4.900 0.110 8 0 "[ . 1 . 2]"
1 62 GLU 5.913 0.868 6 1 "[ .+ 1 . 2]"
1 63 LYS 11.961 0.868 6 1 "[ .+ 1 . 2]"
1 64 VAL 5.037 0.110 8 0 "[ . 1 . 2]"
1 65 THR 4.323 0.112 16 0 "[ . 1 . 2]"
1 66 LEU 2.261 0.091 17 0 "[ . 1 . 2]"
1 67 SER 2.079 0.091 17 0 "[ . 1 . 2]"
1 68 THR 3.320 0.093 13 0 "[ . 1 . 2]"
1 69 THR 5.443 0.710 4 1 "[ +. 1 . 2]"
1 70 GLY 1.879 0.085 17 0 "[ . 1 . 2]"
1 71 LYS 5.302 0.368 17 0 "[ . 1 . 2]"
1 72 ALA 2.838 0.112 1 0 "[ . 1 . 2]"
1 73 ILE 4.133 0.127 13 0 "[ . 1 . 2]"
1 74 GLU 5.885 0.861 19 2 "[ . - . +2]"
1 75 PHE 8.347 0.855 12 2 "[ . - 1 + . 2]"
1 76 ALA 7.704 0.582 13 2 "[ . 1 + - 2]"
1 77 VAL 1.316 0.106 12 0 "[ . 1 . 2]"
1 78 SER 2.105 0.117 5 0 "[ . 1 . 2]"
1 79 GLY 0.535 0.089 3 0 "[ . 1 . 2]"
1 80 GLY 2.199 0.180 10 0 "[ . 1 . 2]"
1 81 VAL 1.357 0.171 13 0 "[ . 1 . 2]"
1 82 VAL 2.876 0.112 6 0 "[ . 1 . 2]"
1 83 ASP 1.890 0.410 8 0 "[ . 1 . 2]"
1 84 GLY 1.175 0.410 8 0 "[ . 1 . 2]"
1 85 GLU 7.617 0.874 18 3 "[ - . * . + 2]"
1 86 ASP 4.208 0.874 18 3 "[ - . * . + 2]"
1 87 GLY 1.095 0.085 16 0 "[ . 1 . 2]"
1 88 VAL 2.810 0.473 19 0 "[ . 1 . 2]"
1 89 VAL 3.412 0.885 2 4 "[-+ . *1 . * 2]"
1 90 ASN 5.172 0.885 2 4 "[-+ . *1 . * 2]"
1 91 GLU 2.455 0.279 5 0 "[ . 1 . 2]"
1 92 PRO 3.458 0.774 14 1 "[ . 1 +. 2]"
1 93 MET 6.347 0.357 8 0 "[ . 1 . 2]"
1 94 GLN 4.855 0.443 8 0 "[ . 1 . 2]"
1 95 TRP 3.082 0.970 17 1 "[ . 1 . + 2]"
1 96 VAL 1.518 0.103 8 0 "[ . 1 . 2]"
1 97 VAL 4.567 0.111 13 0 "[ . 1 . 2]"
1 98 THR 2.117 0.098 10 0 "[ . 1 . 2]"
1 99 VAL 3.908 0.798 8 1 "[ . + 1 . 2]"
1 100 TYR 4.027 0.798 8 1 "[ . + 1 . 2]"
1 101 LYS 11.328 0.932 1 7 "[+ .** *1 * . *-2]"
1 102 ASN 10.510 0.699 4 7 "[ +. * 1* ** * -]"
1 103 GLY 1.706 0.092 4 0 "[ . 1 . 2]"
1 104 LYS 17.246 0.870 2 9 "[ + . * 1****** - 2]"
1 105 GLU 8.296 0.870 2 9 "[ + . * 1****** - 2]"
1 106 ILE 5.861 0.932 1 1 "[+ . 1 . 2]"
1 107 GLU 4.158 0.469 17 0 "[ . 1 . 2]"
1 108 LYS 2.938 0.469 17 0 "[ . 1 . 2]"
1 109 LYS 7.774 0.541 6 3 "[ -+ 1 . *2]"
1 110 SER 2.091 0.211 9 0 "[ . 1 . 2]"
1 111 LEU 2.479 0.096 17 0 "[ . 1 . 2]"
1 112 VAL 2.398 0.110 9 0 "[ . 1 . 2]"
1 113 PHE 0.431 0.093 11 0 "[ . 1 . 2]"
1 114 ARG 0.870 0.110 9 0 "[ . 1 . 2]"
1 115 ASP 1.143 0.091 17 0 "[ . 1 . 2]"
1 116 GLY 4.638 0.805 6 4 "[ * .+ 1 * . - 2]"
1 117 LYS 14.315 0.973 7 6 "[ * .*+* 1 * . - 2]"
1 118 GLU 6.025 0.973 7 2 "[ . +- 1 . 2]"
1 119 ILE 8.137 0.120 13 0 "[ . 1 . 2]"
1 120 SER 2.621 0.092 2 0 "[ . 1 . 2]"
1 121 THR 2.735 0.095 7 0 "[ . 1 . 2]"
1 122 ASP 1.453 0.248 9 0 "[ . 1 . 2]"
1 123 ASP 3.375 0.403 6 0 "[ . 1 . 2]"
1 124 LEU 0.996 0.403 6 0 "[ . 1 . 2]"
1 125 ASN 1.535 0.099 3 0 "[ . 1 . 2]"
1 126 LEU 4.181 0.580 13 4 "[ . * 1 +-* 2]"
1 127 TYR 8.850 0.582 13 4 "[ . * 1 +-* 2]"
1 128 TYR 7.214 0.643 8 1 "[ . + 1 . 2]"
1 129 ASN 4.014 0.855 12 1 "[ . 1 + . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP H 1 3 ASP H . . 3.930 3.367 2.202 4.011 0.081 12 0 "[ . 1 . 2]" 1
2 1 2 ASP HA 1 3 ASP QB . . 4.360 4.117 3.547 4.331 . 0 0 "[ . 1 . 2]" 1
3 1 3 ASP H 1 4 ASP H . . 4.040 3.654 1.968 4.132 0.092 7 0 "[ . 1 . 2]" 1
4 1 3 ASP QB 1 4 ASP H . . 4.960 3.571 2.543 4.131 . 0 0 "[ . 1 . 2]" 1
5 1 4 ASP H 1 4 ASP HB2 . . 3.700 3.226 2.301 4.104 0.404 20 0 "[ . 1 . 2]" 1
6 1 4 ASP H 1 4 ASP HB3 . . 4.180 3.232 2.626 3.922 . 0 0 "[ . 1 . 2]" 1
7 1 4 ASP HB3 1 5 GLU H . . 4.650 3.659 2.087 4.535 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLU H 1 6 PRO HB3 . . 4.560 4.531 4.113 4.642 0.082 3 0 "[ . 1 . 2]" 1
9 1 6 PRO HA 1 7 GLY H . . 3.050 2.322 2.050 2.656 . 0 0 "[ . 1 . 2]" 1
10 1 6 PRO HB3 1 7 GLY QA . . 5.210 5.221 4.949 5.321 0.111 2 0 "[ . 1 . 2]" 1
11 1 7 GLY H 1 8 GLY H . . 3.790 3.257 2.275 3.869 0.079 11 0 "[ . 1 . 2]" 1
12 1 7 GLY QA 1 8 GLY H . . 2.870 2.477 2.073 2.961 0.091 6 0 "[ . 1 . 2]" 1
13 1 8 GLY H 1 9 LYS HA . . 5.050 4.871 4.527 5.137 0.087 20 0 "[ . 1 . 2]" 1
14 1 8 GLY HA2 1 9 LYS H . . 2.940 2.909 2.240 3.651 0.711 17 3 "[ *- . 1 . + 2]" 1
15 1 9 LYS H 1 9 LYS HB2 . . 3.670 3.187 2.596 3.757 0.087 4 0 "[ . 1 . 2]" 1
16 1 9 LYS H 1 9 LYS HB3 . . 3.260 3.292 2.862 3.742 0.482 19 0 "[ . 1 . 2]" 1
17 1 9 LYS H 1 10 GLY H . . 4.100 4.164 3.815 4.194 0.094 8 0 "[ . 1 . 2]" 1
18 1 9 LYS HA 1 10 GLY H . . 2.750 2.225 1.980 2.524 . 0 0 "[ . 1 . 2]" 1
19 1 9 LYS HA 1 71 LYS QE . . 4.590 3.562 2.707 4.186 . 0 0 "[ . 1 . 2]" 1
20 1 9 LYS HB2 1 10 GLY H . . 3.770 3.799 2.516 4.396 0.626 19 2 "[ - . 1 . +2]" 1
21 1 9 LYS HB3 1 10 GLY H . . 4.320 3.502 2.617 4.373 0.053 4 0 "[ . 1 . 2]" 1
22 1 10 GLY H 1 11 ALA MB . . 5.000 4.844 3.983 5.082 0.082 11 0 "[ . 1 . 2]" 1
23 1 10 GLY H 1 71 LYS QD . . 4.320 2.814 1.684 4.415 0.095 20 0 "[ . 1 . 2]" 1
24 1 10 GLY H 1 71 LYS QE . . 3.130 2.896 2.402 3.175 0.045 18 0 "[ . 1 . 2]" 1
25 1 10 GLY HA2 1 11 ALA H . . 3.170 3.098 2.070 3.614 0.444 19 0 "[ . 1 . 2]" 1
26 1 10 GLY HA2 1 11 ALA MB . . 5.500 3.929 3.532 4.426 . 0 0 "[ . 1 . 2]" 1
27 1 11 ALA H 1 11 ALA MB . . 3.480 2.639 2.464 2.933 . 0 0 "[ . 1 . 2]" 1
28 1 11 ALA H 1 71 LYS HA . . 4.400 4.272 3.515 4.477 0.077 10 0 "[ . 1 . 2]" 1
29 1 11 ALA H 1 71 LYS QD . . 4.640 3.753 2.091 4.414 . 0 0 "[ . 1 . 2]" 1
30 1 11 ALA H 1 71 LYS QE . . 3.280 3.213 2.946 3.296 0.016 12 0 "[ . 1 . 2]" 1
31 1 11 ALA H 1 72 ALA H . . 3.350 3.167 2.853 3.421 0.071 1 0 "[ . 1 . 2]" 1
32 1 11 ALA H 1 72 ALA MB . . 4.930 4.521 3.764 4.997 0.067 2 0 "[ . 1 . 2]" 1
33 1 11 ALA HA 1 12 MET H . . 2.960 2.559 2.127 2.949 . 0 0 "[ . 1 . 2]" 1
34 1 11 ALA HA 1 102 ASN HD21 . . 5.120 3.280 1.970 4.887 . 0 0 "[ . 1 . 2]" 1
35 1 11 ALA HA 1 102 ASN HD22 . . 4.690 3.463 2.051 4.761 0.071 15 0 "[ . 1 . 2]" 1
36 1 11 ALA MB 1 12 MET H . . 3.570 2.318 1.887 3.313 . 0 0 "[ . 1 . 2]" 1
37 1 11 ALA MB 1 72 ALA H . . 4.800 4.208 3.816 4.795 . 0 0 "[ . 1 . 2]" 1
38 1 11 ALA MB 1 101 LYS HD2 . . 3.520 3.318 2.322 3.843 0.323 6 0 "[ . 1 . 2]" 1
39 1 11 ALA MB 1 101 LYS HE2 . . 3.280 3.246 2.045 4.078 0.798 7 6 "[ .*+ *1 * . *-2]" 1
40 1 11 ALA MB 1 101 LYS HE3 . . 3.990 3.087 2.073 4.061 0.071 16 0 "[ . 1 . 2]" 1
41 1 11 ALA MB 1 101 LYS QG . . 4.010 2.566 2.097 3.944 . 0 0 "[ . 1 . 2]" 1
42 1 11 ALA MB 1 102 ASN H . . 4.350 3.367 2.698 3.904 . 0 0 "[ . 1 . 2]" 1
43 1 11 ALA MB 1 102 ASN HD21 . . 3.130 2.585 1.882 3.235 0.105 3 0 "[ . 1 . 2]" 1
44 1 11 ALA MB 1 102 ASN HD22 . . 3.620 3.101 1.856 3.707 0.087 14 0 "[ . 1 . 2]" 1
45 1 12 MET H 1 12 MET HB2 . . 3.500 2.645 2.297 2.939 . 0 0 "[ . 1 . 2]" 1
46 1 12 MET H 1 12 MET HB3 . . 3.980 3.712 3.544 3.850 . 0 0 "[ . 1 . 2]" 1
47 1 12 MET H 1 12 MET ME . . 5.000 4.962 4.703 5.105 0.105 6 0 "[ . 1 . 2]" 1
48 1 12 MET H 1 12 MET HG2 . . 3.750 3.532 2.505 3.887 0.137 20 0 "[ . 1 . 2]" 1
49 1 12 MET H 1 12 MET HG3 . . 3.800 3.191 2.440 3.839 0.039 17 0 "[ . 1 . 2]" 1
50 1 12 MET H 1 71 LYS HA . . 5.340 4.840 3.860 5.408 0.068 1 0 "[ . 1 . 2]" 1
51 1 12 MET H 1 102 ASN H . . 4.180 3.165 2.509 3.733 . 0 0 "[ . 1 . 2]" 1
52 1 12 MET H 1 102 ASN HA . . 4.090 3.934 3.539 4.166 0.076 7 0 "[ . 1 . 2]" 1
53 1 12 MET HA 1 12 MET ME . . 4.010 3.194 2.687 3.696 . 0 0 "[ . 1 . 2]" 1
54 1 12 MET HA 1 12 MET HG2 . . 4.070 2.382 2.073 3.384 . 0 0 "[ . 1 . 2]" 1
55 1 12 MET HA 1 12 MET HG3 . . 3.910 3.391 3.153 3.857 . 0 0 "[ . 1 . 2]" 1
56 1 12 MET HA 1 13 TYR H . . 2.860 2.371 2.177 2.613 . 0 0 "[ . 1 . 2]" 1
57 1 12 MET HA 1 71 LYS HA . . 4.010 3.324 2.486 4.062 0.052 1 0 "[ . 1 . 2]" 1
58 1 12 MET HA 1 72 ALA H . . 5.240 3.148 2.311 3.876 . 0 0 "[ . 1 . 2]" 1
59 1 12 MET HB2 1 13 TYR H . . 4.700 3.584 3.193 3.929 . 0 0 "[ . 1 . 2]" 1
60 1 12 MET HB2 1 102 ASN H . . 4.320 3.560 2.857 4.260 . 0 0 "[ . 1 . 2]" 1
61 1 12 MET HB2 1 102 ASN HA . . 3.540 2.421 2.191 2.913 . 0 0 "[ . 1 . 2]" 1
62 1 12 MET HB3 1 13 TYR H . . 4.670 2.441 2.099 2.906 . 0 0 "[ . 1 . 2]" 1
63 1 12 MET HB3 1 102 ASN H . . 5.010 4.938 4.424 5.087 0.077 7 0 "[ . 1 . 2]" 1
64 1 12 MET HB3 1 102 ASN HA . . 4.180 3.854 3.375 4.242 0.062 7 0 "[ . 1 . 2]" 1
65 1 12 MET ME 1 12 MET HG2 . . 3.290 2.484 2.345 3.409 0.119 17 0 "[ . 1 . 2]" 1
66 1 12 MET ME 1 12 MET HG3 . . 3.670 3.348 2.385 3.473 . 0 0 "[ . 1 . 2]" 1
67 1 12 MET ME 1 13 TYR H . . 4.070 3.302 2.566 3.776 . 0 0 "[ . 1 . 2]" 1
68 1 12 MET ME 1 68 THR H . . 4.650 3.303 2.951 3.856 . 0 0 "[ . 1 . 2]" 1
69 1 12 MET ME 1 68 THR HB . . 3.960 3.243 2.363 3.642 . 0 0 "[ . 1 . 2]" 1
70 1 12 MET ME 1 68 THR MG . . 4.130 4.005 3.489 4.223 0.093 13 0 "[ . 1 . 2]" 1
71 1 12 MET ME 1 69 THR HA . . 4.060 3.846 3.261 4.135 0.075 20 0 "[ . 1 . 2]" 1
72 1 12 MET ME 1 69 THR MG . . 5.500 5.109 4.644 5.356 . 0 0 "[ . 1 . 2]" 1
73 1 12 MET ME 1 70 GLY H . . 4.240 3.245 2.734 4.295 0.055 15 0 "[ . 1 . 2]" 1
74 1 12 MET ME 1 70 GLY HA2 . . 3.430 3.114 2.624 3.515 0.085 17 0 "[ . 1 . 2]" 1
75 1 12 MET ME 1 70 GLY HA3 . . 4.530 4.187 3.835 4.612 0.082 15 0 "[ . 1 . 2]" 1
76 1 12 MET ME 1 71 LYS H . . 4.450 4.399 3.910 4.555 0.105 14 0 "[ . 1 . 2]" 1
77 1 12 MET HG2 1 13 TYR H . . 4.600 4.154 3.646 4.859 0.259 17 0 "[ . 1 . 2]" 1
78 1 12 MET HG2 1 71 LYS HA . . 4.980 2.894 2.198 4.492 . 0 0 "[ . 1 . 2]" 1
79 1 12 MET HG2 1 71 LYS QG . . 5.340 4.431 3.513 5.422 0.082 19 0 "[ . 1 . 2]" 1
80 1 12 MET HG2 1 102 ASN HA . . 4.800 5.034 3.848 5.499 0.699 4 7 "[ +. * 1* ** * -]" 1
81 1 12 MET HG3 1 71 LYS HA . . 4.670 4.123 3.361 5.038 0.368 17 0 "[ . 1 . 2]" 1
82 1 12 MET HG3 1 102 ASN HA . . 5.400 3.832 2.996 4.681 . 0 0 "[ . 1 . 2]" 1
83 1 13 TYR H 1 13 TYR QB . . 3.260 2.885 2.519 3.369 0.109 15 0 "[ . 1 . 2]" 1
84 1 13 TYR H 1 14 GLU H . . 5.500 4.265 4.002 4.369 . 0 0 "[ . 1 . 2]" 1
85 1 13 TYR H 1 14 GLU HA . . 5.120 4.861 4.611 5.032 . 0 0 "[ . 1 . 2]" 1
86 1 13 TYR H 1 68 THR H . . 4.080 3.722 3.037 4.160 0.080 15 0 "[ . 1 . 2]" 1
87 1 13 TYR H 1 68 THR MG . . 4.410 3.403 2.159 4.482 0.072 3 0 "[ . 1 . 2]" 1
88 1 13 TYR HA 1 14 GLU H . . 2.910 2.274 2.090 2.515 . 0 0 "[ . 1 . 2]" 1
89 1 13 TYR HA 1 101 LYS H . . 5.500 4.778 3.952 5.522 0.022 7 0 "[ . 1 . 2]" 1
90 1 13 TYR HA 1 101 LYS HA . . 3.550 2.474 2.054 3.134 . 0 0 "[ . 1 . 2]" 1
91 1 13 TYR QB 1 14 GLU H . . 3.530 2.795 2.237 3.604 0.074 14 0 "[ . 1 . 2]" 1
92 1 13 TYR QB 1 14 GLU HA . . 4.770 4.061 3.792 4.224 . 0 0 "[ . 1 . 2]" 1
93 1 13 TYR QB 1 75 PHE QD . . 4.240 2.775 2.210 4.145 . 0 0 "[ . 1 . 2]" 1
94 1 13 TYR QE 1 74 GLU H . . 4.550 3.153 2.210 4.610 0.060 17 0 "[ . 1 . 2]" 1
95 1 13 TYR QE 1 74 GLU QG . . 4.950 4.666 4.454 4.840 . 0 0 "[ . 1 . 2]" 1
96 1 14 GLU H 1 14 GLU HB2 . . 4.130 3.419 3.222 3.622 . 0 0 "[ . 1 . 2]" 1
97 1 14 GLU H 1 14 GLU HB3 . . 3.990 2.717 2.518 2.989 . 0 0 "[ . 1 . 2]" 1
98 1 14 GLU H 1 14 GLU HG3 . . 5.100 4.777 4.673 4.895 . 0 0 "[ . 1 . 2]" 1
99 1 14 GLU H 1 99 VAL MG1 . . 4.980 3.401 2.768 4.116 . 0 0 "[ . 1 . 2]" 1
100 1 14 GLU H 1 100 TYR H . . 3.690 2.976 2.694 3.217 . 0 0 "[ . 1 . 2]" 1
101 1 14 GLU H 1 100 TYR HB2 . . 4.190 3.431 2.645 3.923 . 0 0 "[ . 1 . 2]" 1
102 1 14 GLU H 1 100 TYR HB3 . . 4.820 4.587 3.988 4.898 0.078 8 0 "[ . 1 . 2]" 1
103 1 14 GLU H 1 100 TYR QD . . 5.290 4.776 4.102 5.373 0.083 14 0 "[ . 1 . 2]" 1
104 1 14 GLU H 1 101 LYS HA . . 5.310 3.811 3.512 4.089 . 0 0 "[ . 1 . 2]" 1
105 1 14 GLU HA 1 14 GLU HG2 . . 4.160 3.322 3.042 3.480 . 0 0 "[ . 1 . 2]" 1
106 1 14 GLU HA 1 14 GLU HG3 . . 3.920 2.761 2.538 3.019 . 0 0 "[ . 1 . 2]" 1
107 1 14 GLU HA 1 15 VAL H . . 2.840 2.239 2.176 2.334 . 0 0 "[ . 1 . 2]" 1
108 1 14 GLU HA 1 15 VAL QG . . 4.500 3.652 3.252 3.864 . 0 0 "[ . 1 . 2]" 1
109 1 14 GLU HA 1 66 LEU H . . 4.990 4.636 4.413 5.033 0.043 8 0 "[ . 1 . 2]" 1
110 1 14 GLU HA 1 67 SER HA . . 3.090 2.131 1.933 2.286 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLU HA 1 67 SER QB . . 4.480 3.045 2.684 3.264 . 0 0 "[ . 1 . 2]" 1
112 1 14 GLU HA 1 68 THR H . . 4.090 4.005 3.688 4.177 0.087 4 0 "[ . 1 . 2]" 1
113 1 14 GLU HB2 1 67 SER HA . . 3.910 3.371 3.078 3.576 . 0 0 "[ . 1 . 2]" 1
114 1 14 GLU HB2 1 67 SER QB . . 4.080 2.619 2.281 2.859 . 0 0 "[ . 1 . 2]" 1
115 1 14 GLU HB2 1 68 THR H . . 4.990 4.159 3.763 4.493 . 0 0 "[ . 1 . 2]" 1
116 1 14 GLU HB2 1 100 TYR HB2 . . 4.000 3.938 3.710 4.080 0.080 4 0 "[ . 1 . 2]" 1
117 1 14 GLU HB3 1 67 SER HA . . 4.800 4.716 4.456 4.873 0.073 11 0 "[ . 1 . 2]" 1
118 1 14 GLU HB3 1 100 TYR HB2 . . 3.940 2.233 2.101 2.353 . 0 0 "[ . 1 . 2]" 1
119 1 14 GLU HB3 1 100 TYR HB3 . . 4.170 3.503 3.135 3.754 . 0 0 "[ . 1 . 2]" 1
120 1 14 GLU HB3 1 100 TYR QD . . 4.430 3.842 3.280 4.206 . 0 0 "[ . 1 . 2]" 1
121 1 14 GLU HB3 1 100 TYR QR . . 4.190 3.793 3.255 4.142 . 0 0 "[ . 1 . 2]" 1
122 1 14 GLU HG2 1 15 VAL H . . 3.740 3.303 2.578 3.821 0.081 11 0 "[ . 1 . 2]" 1
123 1 14 GLU HG2 1 16 THR MG . . 4.490 3.405 2.533 4.442 . 0 0 "[ . 1 . 2]" 1
124 1 14 GLU HG2 1 65 THR MG . . 4.220 3.215 2.366 4.306 0.086 16 0 "[ . 1 . 2]" 1
125 1 14 GLU HG2 1 67 SER HA . . 5.250 4.887 4.586 5.169 . 0 0 "[ . 1 . 2]" 1
126 1 14 GLU HG2 1 100 TYR QR . . 4.680 3.136 2.495 3.772 . 0 0 "[ . 1 . 2]" 1
127 1 14 GLU HG3 1 15 VAL H . . 3.860 3.186 2.554 3.904 0.044 4 0 "[ . 1 . 2]" 1
128 1 14 GLU HG3 1 65 THR MG . . 3.820 2.800 2.291 3.660 . 0 0 "[ . 1 . 2]" 1
129 1 14 GLU HG3 1 66 LEU H . . 5.170 3.814 3.278 4.360 . 0 0 "[ . 1 . 2]" 1
130 1 14 GLU HG3 1 67 SER HA . . 4.340 3.623 3.193 3.966 . 0 0 "[ . 1 . 2]" 1
131 1 14 GLU HG3 1 67 SER QB . . 4.170 2.495 2.100 3.145 . 0 0 "[ . 1 . 2]" 1
132 1 15 VAL H 1 15 VAL HB . . 3.730 3.138 2.587 3.806 0.076 19 0 "[ . 1 . 2]" 1
133 1 15 VAL H 1 15 VAL QG . . 3.150 2.148 1.942 2.400 . 0 0 "[ . 1 . 2]" 1
134 1 15 VAL H 1 16 THR MG . . 5.480 4.667 4.188 5.285 . 0 0 "[ . 1 . 2]" 1
135 1 15 VAL H 1 65 THR MG . . 4.580 4.280 3.252 4.685 0.105 16 0 "[ . 1 . 2]" 1
136 1 15 VAL H 1 66 LEU H . . 3.810 3.138 2.748 3.537 . 0 0 "[ . 1 . 2]" 1
137 1 15 VAL H 1 66 LEU HB2 . . 4.790 3.733 3.145 4.186 . 0 0 "[ . 1 . 2]" 1
138 1 15 VAL H 1 67 SER HA . . 3.720 3.513 3.307 3.734 0.014 4 0 "[ . 1 . 2]" 1
139 1 15 VAL H 1 67 SER QB . . 4.500 4.278 3.825 4.443 . 0 0 "[ . 1 . 2]" 1
140 1 15 VAL H 1 75 PHE QD . . 4.740 4.811 4.338 4.848 0.108 12 0 "[ . 1 . 2]" 1
141 1 15 VAL HA 1 15 VAL QG . . 3.260 2.307 1.986 2.432 . 0 0 "[ . 1 . 2]" 1
142 1 15 VAL HA 1 16 THR H . . 2.780 2.302 2.207 2.516 . 0 0 "[ . 1 . 2]" 1
143 1 15 VAL HA 1 16 THR HA . . 5.090 4.475 4.349 4.554 . 0 0 "[ . 1 . 2]" 1
144 1 15 VAL HA 1 16 THR MG . . 4.640 4.154 3.633 4.751 0.111 16 0 "[ . 1 . 2]" 1
145 1 15 VAL HA 1 98 THR H . . 5.040 4.564 3.954 5.118 0.078 15 0 "[ . 1 . 2]" 1
146 1 15 VAL HA 1 98 THR HB . . 4.860 4.866 4.620 4.946 0.086 8 0 "[ . 1 . 2]" 1
147 1 15 VAL HA 1 99 VAL HA . . 3.340 2.358 2.011 2.604 . 0 0 "[ . 1 . 2]" 1
148 1 15 VAL HA 1 99 VAL MG1 . . 4.460 3.375 2.572 4.014 . 0 0 "[ . 1 . 2]" 1
149 1 15 VAL HA 1 99 VAL MG2 . . 4.060 3.417 3.001 4.570 0.510 8 1 "[ . + 1 . 2]" 1
150 1 15 VAL HA 1 100 TYR H . . 3.910 3.341 2.795 3.502 . 0 0 "[ . 1 . 2]" 1
151 1 15 VAL HA 1 100 TYR QR . . 4.290 3.502 2.740 4.330 0.040 10 0 "[ . 1 . 2]" 1
152 1 15 VAL HB 1 16 THR H . . 4.280 3.950 2.839 4.276 . 0 0 "[ . 1 . 2]" 1
153 1 15 VAL HB 1 75 PHE QD . . 3.390 3.200 2.638 3.523 0.133 6 0 "[ . 1 . 2]" 1
154 1 15 VAL HB 1 77 VAL MG2 . . 3.900 3.344 2.539 4.006 0.106 12 0 "[ . 1 . 2]" 1
155 1 15 VAL QG 1 16 THR H . . 3.390 2.399 2.031 3.203 . 0 0 "[ . 1 . 2]" 1
156 1 15 VAL QG 1 16 THR HA . . 5.300 3.454 3.131 4.075 . 0 0 "[ . 1 . 2]" 1
157 1 15 VAL QG 1 65 THR HA . . 4.890 4.133 3.780 4.738 . 0 0 "[ . 1 . 2]" 1
158 1 15 VAL QG 1 66 LEU H . . 3.690 2.944 2.518 3.390 . 0 0 "[ . 1 . 2]" 1
159 1 15 VAL QG 1 66 LEU HA . . 4.410 4.342 4.007 4.443 0.033 12 0 "[ . 1 . 2]" 1
160 1 15 VAL QG 1 66 LEU HB2 . . 3.250 2.209 1.996 2.619 . 0 0 "[ . 1 . 2]" 1
161 1 15 VAL QG 1 77 VAL MG2 . . 3.320 2.347 1.937 2.797 . 0 0 "[ . 1 . 2]" 1
162 1 15 VAL QG 1 98 THR H . . 4.470 3.595 2.840 4.393 . 0 0 "[ . 1 . 2]" 1
163 1 15 VAL QG 1 99 VAL HA . . 3.990 3.125 1.999 3.736 . 0 0 "[ . 1 . 2]" 1
164 1 16 THR H 1 16 THR HB . . 3.700 3.612 2.960 3.771 0.071 11 0 "[ . 1 . 2]" 1
165 1 16 THR H 1 16 THR MG . . 4.350 3.320 2.843 3.787 . 0 0 "[ . 1 . 2]" 1
166 1 16 THR H 1 97 VAL HA . . 4.140 4.134 3.598 4.227 0.087 16 0 "[ . 1 . 2]" 1
167 1 16 THR H 1 98 THR H . . 3.620 2.843 2.481 3.446 . 0 0 "[ . 1 . 2]" 1
168 1 16 THR H 1 98 THR HB . . 4.360 3.793 3.467 4.213 . 0 0 "[ . 1 . 2]" 1
169 1 16 THR H 1 99 VAL MG2 . . 5.130 4.212 3.814 5.557 0.427 8 0 "[ . 1 . 2]" 1
170 1 16 THR H 1 100 TYR H . . 5.250 5.130 4.678 5.325 0.075 12 0 "[ . 1 . 2]" 1
171 1 16 THR H 1 100 TYR QD . . 4.700 4.300 3.679 4.746 0.046 9 0 "[ . 1 . 2]" 1
172 1 16 THR HA 1 16 THR MG . . 3.180 2.296 2.141 2.461 . 0 0 "[ . 1 . 2]" 1
173 1 16 THR HA 1 17 ILE H . . 2.740 2.246 2.049 2.505 . 0 0 "[ . 1 . 2]" 1
174 1 16 THR HA 1 17 ILE HB . . 4.440 4.505 4.363 4.530 0.090 5 0 "[ . 1 . 2]" 1
175 1 16 THR HA 1 65 THR H . . 4.900 4.769 4.539 4.927 0.027 3 0 "[ . 1 . 2]" 1
176 1 16 THR HA 1 65 THR HA . . 3.260 2.321 2.118 2.534 . 0 0 "[ . 1 . 2]" 1
177 1 16 THR HA 1 66 LEU H . . 4.180 3.455 2.957 3.736 . 0 0 "[ . 1 . 2]" 1
178 1 16 THR HB 1 17 ILE H . . 3.750 2.899 2.429 3.828 0.078 16 0 "[ . 1 . 2]" 1
179 1 16 THR HB 1 18 GLU HG2 . . 4.940 4.456 3.033 5.006 0.066 9 0 "[ . 1 . 2]" 1
180 1 16 THR HB 1 18 GLU HG3 . . 4.790 3.948 2.851 4.863 0.073 1 0 "[ . 1 . 2]" 1
181 1 16 THR HB 1 63 LYS QE . . 4.530 3.104 2.022 4.583 0.053 17 0 "[ . 1 . 2]" 1
182 1 16 THR HB 1 63 LYS QG . . 4.720 3.994 3.202 4.792 0.072 8 0 "[ . 1 . 2]" 1
183 1 16 THR HB 1 65 THR HA . . 5.240 4.333 3.894 5.041 . 0 0 "[ . 1 . 2]" 1
184 1 16 THR MG 1 17 ILE H . . 3.680 3.435 2.843 3.768 0.088 15 0 "[ . 1 . 2]" 1
185 1 16 THR MG 1 63 LYS QD . . 4.010 3.734 2.625 4.116 0.106 6 0 "[ . 1 . 2]" 1
186 1 16 THR MG 1 63 LYS QE . . 4.020 2.478 1.867 4.025 0.005 13 0 "[ . 1 . 2]" 1
187 1 16 THR MG 1 65 THR HA . . 3.830 2.590 2.113 3.261 . 0 0 "[ . 1 . 2]" 1
188 1 16 THR MG 1 65 THR HB . . 4.310 3.901 2.264 4.401 0.091 8 0 "[ . 1 . 2]" 1
189 1 16 THR MG 1 66 LEU H . . 4.350 3.870 3.337 4.428 0.078 16 0 "[ . 1 . 2]" 1
190 1 16 THR MG 1 100 TYR QR . . 3.670 2.963 2.130 3.703 0.033 1 0 "[ . 1 . 2]" 1
191 1 17 ILE H 1 17 ILE HB . . 3.450 3.179 2.685 3.362 . 0 0 "[ . 1 . 2]" 1
192 1 17 ILE H 1 17 ILE MD . . 4.280 4.359 4.262 4.404 0.124 12 0 "[ . 1 . 2]" 1
193 1 17 ILE H 1 17 ILE QG . . 4.860 4.110 3.950 4.331 . 0 0 "[ . 1 . 2]" 1
194 1 17 ILE H 1 17 ILE MG . . 4.260 2.274 2.069 2.561 . 0 0 "[ . 1 . 2]" 1
195 1 17 ILE H 1 63 LYS HA . . 5.210 4.402 4.028 4.693 . 0 0 "[ . 1 . 2]" 1
196 1 17 ILE H 1 64 VAL H . . 3.880 2.848 2.394 3.230 . 0 0 "[ . 1 . 2]" 1
197 1 17 ILE H 1 65 THR H . . 4.850 4.916 4.776 4.942 0.092 15 0 "[ . 1 . 2]" 1
198 1 17 ILE H 1 65 THR HA . . 3.930 3.661 3.111 3.981 0.051 10 0 "[ . 1 . 2]" 1
199 1 17 ILE H 1 65 THR MG . . 5.370 5.142 4.686 5.482 0.112 16 0 "[ . 1 . 2]" 1
200 1 17 ILE H 1 66 LEU QD . . 4.970 4.797 4.180 4.996 0.026 1 0 "[ . 1 . 2]" 1
201 1 17 ILE HA 1 17 ILE MD . . 3.340 2.236 2.061 3.427 0.087 12 0 "[ . 1 . 2]" 1
202 1 17 ILE HA 1 17 ILE QG . . 3.900 2.974 2.080 3.185 . 0 0 "[ . 1 . 2]" 1
203 1 17 ILE HA 1 18 GLU H . . 2.890 2.226 2.144 2.326 . 0 0 "[ . 1 . 2]" 1
204 1 17 ILE HA 1 96 VAL H . . 4.960 4.537 4.006 5.013 0.053 20 0 "[ . 1 . 2]" 1
205 1 17 ILE HA 1 97 VAL HB . . 4.690 4.251 3.313 4.780 0.090 16 0 "[ . 1 . 2]" 1
206 1 17 ILE HA 1 98 THR H . . 4.580 4.262 3.674 4.640 0.060 8 0 "[ . 1 . 2]" 1
207 1 17 ILE HB 1 17 ILE MD . . 3.010 2.433 2.069 2.615 . 0 0 "[ . 1 . 2]" 1
208 1 17 ILE HB 1 64 VAL H . . 4.570 4.549 4.064 4.663 0.093 19 0 "[ . 1 . 2]" 1
209 1 17 ILE HB 1 97 VAL HA . . 4.980 4.443 3.845 5.058 0.078 7 0 "[ . 1 . 2]" 1
210 1 17 ILE MD 1 17 ILE MG . . 3.360 3.155 2.125 3.283 . 0 0 "[ . 1 . 2]" 1
211 1 17 ILE MD 1 18 GLU H . . 3.750 2.690 1.987 3.858 0.108 15 0 "[ . 1 . 2]" 1
212 1 17 ILE MD 1 19 GLN H . . 5.480 4.898 4.271 5.581 0.101 7 0 "[ . 1 . 2]" 1
213 1 17 ILE MD 1 19 GLN HE21 . . 5.470 5.330 3.926 5.564 0.094 3 0 "[ . 1 . 2]" 1
214 1 17 ILE MD 1 19 GLN QG . . 3.690 2.934 2.238 3.793 0.103 20 0 "[ . 1 . 2]" 1
215 1 17 ILE MD 1 59 LEU QD . . 4.410 3.623 2.614 4.387 . 0 0 "[ . 1 . 2]" 1
216 1 17 ILE MD 1 64 VAL H . . 5.340 5.130 4.786 5.426 0.086 7 0 "[ . 1 . 2]" 1
217 1 17 ILE MD 1 95 TRP HA . . 4.910 3.484 2.361 4.731 . 0 0 "[ . 1 . 2]" 1
218 1 17 ILE MD 1 95 TRP HB3 . . 4.510 2.894 2.267 4.027 . 0 0 "[ . 1 . 2]" 1
219 1 17 ILE MD 1 95 TRP HD1 . . 4.800 3.632 2.618 4.833 0.033 16 0 "[ . 1 . 2]" 1
220 1 17 ILE MD 1 95 TRP HE1 . . 4.620 3.807 3.239 4.688 0.068 6 0 "[ . 1 . 2]" 1
221 1 17 ILE MD 1 96 VAL H . . 4.600 3.528 2.691 4.698 0.098 12 0 "[ . 1 . 2]" 1
222 1 17 ILE MD 1 97 VAL HA . . 4.310 3.591 3.175 4.395 0.085 12 0 "[ . 1 . 2]" 1
223 1 17 ILE MD 1 97 VAL HB . . 4.020 3.892 2.224 4.131 0.111 13 0 "[ . 1 . 2]" 1
224 1 17 ILE MD 1 97 VAL QG . . 3.870 2.089 1.836 3.472 . 0 0 "[ . 1 . 2]" 1
225 1 17 ILE MD 1 124 LEU QD . . 5.500 3.703 2.940 4.394 . 0 0 "[ . 1 . 2]" 1
226 1 17 ILE MG 1 18 GLU HA . . 4.900 4.155 3.221 4.700 . 0 0 "[ . 1 . 2]" 1
227 1 17 ILE MG 1 59 LEU QD . . 4.450 2.540 2.072 3.225 . 0 0 "[ . 1 . 2]" 1
228 1 17 ILE MG 1 63 LYS HA . . 5.010 3.282 2.347 3.915 . 0 0 "[ . 1 . 2]" 1
229 1 17 ILE MG 1 64 VAL H . . 5.500 2.040 1.612 2.272 . 0 0 "[ . 1 . 2]" 1
230 1 17 ILE MG 1 64 VAL HB . . 4.290 2.390 1.949 3.945 . 0 0 "[ . 1 . 2]" 1
231 1 17 ILE MG 1 64 VAL QG . . 4.060 2.289 1.883 3.320 . 0 0 "[ . 1 . 2]" 1
232 1 17 ILE MG 1 66 LEU QD . . 4.960 3.388 2.765 4.428 . 0 0 "[ . 1 . 2]" 1
233 1 17 ILE MG 1 97 VAL QG . . 5.010 4.126 3.714 4.966 . 0 0 "[ . 1 . 2]" 1
234 1 18 GLU H 1 18 GLU QB . . 3.460 2.495 2.142 3.184 . 0 0 "[ . 1 . 2]" 1
235 1 18 GLU H 1 18 GLU HG3 . . 4.250 3.446 2.508 4.226 . 0 0 "[ . 1 . 2]" 1
236 1 18 GLU H 1 63 LYS HA . . 5.500 4.782 4.301 5.119 . 0 0 "[ . 1 . 2]" 1
237 1 18 GLU H 1 95 TRP HA . . 4.870 4.398 3.849 4.939 0.069 9 0 "[ . 1 . 2]" 1
238 1 18 GLU H 1 96 VAL H . . 3.780 3.032 2.739 3.848 0.068 20 0 "[ . 1 . 2]" 1
239 1 18 GLU HA 1 18 GLU HG2 . . 3.970 2.530 2.128 4.061 0.091 20 0 "[ . 1 . 2]" 1
240 1 18 GLU HA 1 18 GLU HG3 . . 3.760 3.349 2.732 3.686 . 0 0 "[ . 1 . 2]" 1
241 1 18 GLU HA 1 19 GLN H . . 2.860 2.234 2.102 2.651 . 0 0 "[ . 1 . 2]" 1
242 1 18 GLU HA 1 63 LYS HA . . 3.170 2.552 1.892 2.957 . 0 0 "[ . 1 . 2]" 1
243 1 18 GLU HA 1 63 LYS HB2 . . 4.900 3.277 2.272 4.893 . 0 0 "[ . 1 . 2]" 1
244 1 18 GLU HA 1 63 LYS QG . . 4.600 2.951 2.286 4.116 . 0 0 "[ . 1 . 2]" 1
245 1 18 GLU HA 1 64 VAL H . . 4.440 4.078 3.542 4.516 0.076 8 0 "[ . 1 . 2]" 1
246 1 18 GLU QB 1 19 GLN H . . 4.110 3.149 2.131 3.765 . 0 0 "[ . 1 . 2]" 1
247 1 18 GLU QB 1 96 VAL H . . 4.280 3.059 2.290 4.176 . 0 0 "[ . 1 . 2]" 1
248 1 18 GLU QB 1 96 VAL QG . . 3.450 2.642 1.951 3.381 . 0 0 "[ . 1 . 2]" 1
249 1 18 GLU HG2 1 19 GLN H . . 5.050 4.341 3.838 4.789 . 0 0 "[ . 1 . 2]" 1
250 1 18 GLU HG2 1 63 LYS HA . . 4.850 3.971 2.929 4.935 0.085 20 0 "[ . 1 . 2]" 1
251 1 18 GLU HG2 1 63 LYS QD . . 3.990 3.400 2.257 4.089 0.099 12 0 "[ . 1 . 2]" 1
252 1 18 GLU HG2 1 63 LYS QG . . 4.070 2.413 2.009 4.156 0.086 19 0 "[ . 1 . 2]" 1
253 1 18 GLU HG3 1 63 LYS HA . . 5.500 5.084 4.062 5.583 0.083 2 0 "[ . 1 . 2]" 1
254 1 18 GLU HG3 1 63 LYS QG . . 4.040 3.411 2.455 4.140 0.100 19 0 "[ . 1 . 2]" 1
255 1 19 GLN H 1 19 GLN HB2 . . 3.960 2.531 2.310 2.802 . 0 0 "[ . 1 . 2]" 1
256 1 19 GLN H 1 19 GLN HE21 . . 5.500 4.585 3.917 5.300 . 0 0 "[ . 1 . 2]" 1
257 1 19 GLN H 1 62 GLU HA . . 3.980 3.712 3.207 4.000 0.020 1 0 "[ . 1 . 2]" 1
258 1 19 GLN H 1 62 GLU QB . . 4.510 4.175 3.880 4.562 0.052 19 0 "[ . 1 . 2]" 1
259 1 19 GLN H 1 63 LYS HA . . 4.070 3.469 3.011 4.137 0.067 20 0 "[ . 1 . 2]" 1
260 1 19 GLN H 1 95 TRP HD1 . . 5.500 5.423 4.937 5.582 0.082 14 0 "[ . 1 . 2]" 1
261 1 19 GLN HA 1 19 GLN HE21 . . 5.300 4.922 4.143 5.357 0.057 7 0 "[ . 1 . 2]" 1
262 1 19 GLN HA 1 20 SER H . . 3.080 2.246 2.163 2.485 . 0 0 "[ . 1 . 2]" 1
263 1 19 GLN HA 1 95 TRP HD1 . . 3.700 2.664 2.182 3.046 . 0 0 "[ . 1 . 2]" 1
264 1 19 GLN HA 1 96 VAL H . . 4.470 4.074 3.490 4.558 0.088 20 0 "[ . 1 . 2]" 1
265 1 19 GLN HB2 1 19 GLN HE21 . . 4.030 2.783 2.121 3.421 . 0 0 "[ . 1 . 2]" 1
266 1 19 GLN HB2 1 20 SER H . . 4.660 4.302 3.912 4.543 . 0 0 "[ . 1 . 2]" 1
267 1 19 GLN HB2 1 23 PHE HB3 . . 4.850 4.020 3.378 4.866 0.016 12 0 "[ . 1 . 2]" 1
268 1 19 GLN HB2 1 62 GLU HA . . 3.620 2.757 2.388 3.075 . 0 0 "[ . 1 . 2]" 1
269 1 19 GLN HB3 1 20 SER H . . 4.140 3.426 2.557 3.874 . 0 0 "[ . 1 . 2]" 1
270 1 19 GLN HB3 1 20 SER HA . . 4.720 4.569 3.981 4.801 0.081 5 0 "[ . 1 . 2]" 1
271 1 19 GLN HB3 1 62 GLU HA . . 4.270 4.247 3.874 4.349 0.079 6 0 "[ . 1 . 2]" 1
272 1 19 GLN HE21 1 59 LEU HB3 . . 4.670 4.201 3.540 4.725 0.055 13 0 "[ . 1 . 2]" 1
273 1 19 GLN HE21 1 59 LEU QD . . 5.500 3.851 2.395 4.743 . 0 0 "[ . 1 . 2]" 1
274 1 19 GLN HE21 1 62 GLU HA . . 4.570 3.914 3.124 4.645 0.075 6 0 "[ . 1 . 2]" 1
275 1 19 GLN HE22 1 59 LEU HA . . 4.510 3.868 3.409 4.546 0.036 6 0 "[ . 1 . 2]" 1
276 1 19 GLN HE22 1 59 LEU HB2 . . 4.970 4.440 4.010 4.913 . 0 0 "[ . 1 . 2]" 1
277 1 19 GLN HE22 1 59 LEU HB3 . . 4.290 2.937 2.377 3.517 . 0 0 "[ . 1 . 2]" 1
278 1 19 GLN HE22 1 59 LEU QD . . 4.960 3.372 2.666 4.029 . 0 0 "[ . 1 . 2]" 1
279 1 19 GLN HE22 1 60 ALA H . . 4.870 4.877 4.664 4.949 0.079 2 0 "[ . 1 . 2]" 1
280 1 19 GLN HE22 1 60 ALA MB . . 5.200 5.176 4.877 5.312 0.112 12 0 "[ . 1 . 2]" 1
281 1 19 GLN QG 1 95 TRP HD1 . . 4.000 2.887 2.248 3.701 . 0 0 "[ . 1 . 2]" 1
282 1 19 GLN QG 1 95 TRP HE1 . . 4.310 2.729 2.009 3.353 . 0 0 "[ . 1 . 2]" 1
283 1 20 SER H 1 23 PHE HB3 . . 5.020 4.153 3.167 5.091 0.071 19 0 "[ . 1 . 2]" 1
284 1 20 SER H 1 23 PHE QD . . 5.020 4.110 3.003 4.821 . 0 0 "[ . 1 . 2]" 1
285 1 20 SER H 1 93 MET ME . . 4.340 3.378 2.638 4.300 . 0 0 "[ . 1 . 2]" 1
286 1 20 SER H 1 94 GLN H . . 3.730 2.946 2.638 3.377 . 0 0 "[ . 1 . 2]" 1
287 1 20 SER H 1 94 GLN HB2 . . 4.750 3.997 3.221 4.821 0.071 13 0 "[ . 1 . 2]" 1
288 1 20 SER H 1 95 TRP HD1 . . 4.770 3.620 2.553 4.481 . 0 0 "[ . 1 . 2]" 1
289 1 20 SER HA 1 21 GLY H . . 3.010 2.481 2.332 2.693 . 0 0 "[ . 1 . 2]" 1
290 1 20 SER HA 1 23 PHE QD . . 3.970 3.241 2.341 3.970 . 0 0 "[ . 1 . 2]" 1
291 1 20 SER HA 1 23 PHE QE . . 4.540 3.823 2.660 4.626 0.086 19 0 "[ . 1 . 2]" 1
292 1 20 SER HA 1 93 MET ME . . 4.980 5.049 4.848 5.107 0.127 14 0 "[ . 1 . 2]" 1
293 1 20 SER HB2 1 21 GLY H . . 3.670 3.198 2.133 3.740 0.070 10 0 "[ . 1 . 2]" 1
294 1 20 SER HB3 1 21 GLY H . . 3.540 2.690 2.051 3.630 0.090 12 0 "[ . 1 . 2]" 1
295 1 21 GLY H 1 22 ASP H . . 4.910 4.526 3.993 4.730 . 0 0 "[ . 1 . 2]" 1
296 1 21 GLY HA2 1 22 ASP H . . 3.530 3.125 2.781 3.578 0.048 7 0 "[ . 1 . 2]" 1
297 1 21 GLY HA2 1 93 MET HA . . 3.960 3.906 3.649 4.317 0.357 8 0 "[ . 1 . 2]" 1
298 1 21 GLY HA2 1 94 GLN H . . 5.500 5.251 4.547 5.943 0.443 8 0 "[ . 1 . 2]" 1
299 1 21 GLY HA3 1 22 ASP H . . 3.310 2.328 2.181 2.566 . 0 0 "[ . 1 . 2]" 1
300 1 22 ASP H 1 22 ASP HB2 . . 3.620 2.644 2.122 3.425 . 0 0 "[ . 1 . 2]" 1
301 1 22 ASP H 1 22 ASP HB3 . . 3.750 2.752 2.328 3.398 . 0 0 "[ . 1 . 2]" 1
302 1 22 ASP H 1 23 PHE H . . 4.550 3.993 3.262 4.610 0.060 2 0 "[ . 1 . 2]" 1
303 1 22 ASP H 1 93 MET HA . . 3.900 2.887 2.295 3.536 . 0 0 "[ . 1 . 2]" 1
304 1 22 ASP H 1 93 MET HB2 . . 4.890 3.642 2.814 4.676 . 0 0 "[ . 1 . 2]" 1
305 1 22 ASP HA 1 23 PHE H . . 3.080 2.387 2.142 2.809 . 0 0 "[ . 1 . 2]" 1
306 1 22 ASP HB2 1 26 PHE QE . . 4.960 4.536 3.767 5.050 0.090 16 0 "[ . 1 . 2]" 1
307 1 22 ASP HB2 1 91 GLU H . . 4.500 3.218 2.530 4.091 . 0 0 "[ . 1 . 2]" 1
308 1 22 ASP HB2 1 91 GLU HB2 . . 3.620 2.563 2.109 3.686 0.066 15 0 "[ . 1 . 2]" 1
309 1 22 ASP HB3 1 26 PHE QD . . 5.060 4.543 3.514 5.137 0.077 18 0 "[ . 1 . 2]" 1
310 1 22 ASP HB3 1 26 PHE QE . . 4.860 2.986 2.362 4.004 . 0 0 "[ . 1 . 2]" 1
311 1 22 ASP HB3 1 91 GLU H . . 4.250 3.334 2.564 3.814 . 0 0 "[ . 1 . 2]" 1
312 1 22 ASP HB3 1 91 GLU HB2 . . 4.070 3.646 2.484 4.148 0.078 2 0 "[ . 1 . 2]" 1
313 1 22 ASP HB3 1 91 GLU HB3 . . 4.980 4.142 3.164 5.046 0.066 15 0 "[ . 1 . 2]" 1
314 1 22 ASP HB3 1 92 PRO HA . . 4.210 4.309 3.933 4.984 0.774 14 1 "[ . 1 +. 2]" 1
315 1 23 PHE H 1 23 PHE HB2 . . 4.040 3.716 3.522 4.061 0.021 19 0 "[ . 1 . 2]" 1
316 1 23 PHE H 1 23 PHE HB3 . . 3.690 2.904 2.292 3.661 . 0 0 "[ . 1 . 2]" 1
317 1 23 PHE H 1 23 PHE QD . . 3.250 2.794 2.359 3.342 0.092 3 0 "[ . 1 . 2]" 1
318 1 23 PHE H 1 23 PHE QE . . 4.950 4.324 3.879 4.588 . 0 0 "[ . 1 . 2]" 1
319 1 23 PHE H 1 24 ARG H . . 3.690 2.763 1.786 3.361 . 0 0 "[ . 1 . 2]" 1
320 1 23 PHE H 1 93 MET HB3 . . 5.190 4.488 3.334 5.268 0.078 15 0 "[ . 1 . 2]" 1
321 1 23 PHE HA 1 25 SER H . . 4.730 3.902 3.312 4.636 . 0 0 "[ . 1 . 2]" 1
322 1 23 PHE HA 1 26 PHE QD . . 3.510 2.916 2.383 3.597 0.087 18 0 "[ . 1 . 2]" 1
323 1 23 PHE HA 1 93 MET HB2 . . 4.570 3.810 2.853 4.633 0.063 20 0 "[ . 1 . 2]" 1
324 1 23 PHE HA 1 93 MET HB3 . . 3.870 3.617 2.803 3.952 0.082 13 0 "[ . 1 . 2]" 1
325 1 23 PHE HA 1 93 MET ME . . 4.100 2.535 1.875 3.327 . 0 0 "[ . 1 . 2]" 1
326 1 23 PHE HB2 1 93 MET HB2 . . 5.310 4.849 3.663 5.382 0.072 2 0 "[ . 1 . 2]" 1
327 1 23 PHE HB2 1 93 MET ME . . 3.700 2.680 2.231 3.218 . 0 0 "[ . 1 . 2]" 1
328 1 23 PHE HB3 1 93 MET HB2 . . 4.740 3.509 2.527 4.041 . 0 0 "[ . 1 . 2]" 1
329 1 23 PHE HB3 1 93 MET HB3 . . 4.330 4.223 3.641 4.409 0.079 19 0 "[ . 1 . 2]" 1
330 1 23 PHE HB3 1 93 MET ME . . 3.690 2.172 2.029 2.363 . 0 0 "[ . 1 . 2]" 1
331 1 23 PHE QD 1 24 ARG HA . . 4.220 3.738 2.991 4.318 0.098 19 0 "[ . 1 . 2]" 1
332 1 23 PHE QD 1 24 ARG HG2 . . 5.500 4.409 2.863 5.543 0.043 7 0 "[ . 1 . 2]" 1
333 1 23 PHE QD 1 93 MET HB2 . . 5.230 4.658 4.159 5.215 . 0 0 "[ . 1 . 2]" 1
334 1 23 PHE QD 1 93 MET ME . . 4.890 3.722 3.343 4.018 . 0 0 "[ . 1 . 2]" 1
335 1 23 PHE QE 1 24 ARG HG2 . . 5.500 4.538 3.190 5.568 0.068 7 0 "[ . 1 . 2]" 1
336 1 23 PHE QE 1 24 ARG HG3 . . 5.020 4.488 3.294 5.579 0.559 18 1 "[ . 1 . + 2]" 1
337 1 24 ARG H 1 24 ARG HB2 . . 3.930 2.737 2.267 3.902 . 0 0 "[ . 1 . 2]" 1
338 1 24 ARG H 1 24 ARG HB3 . . 3.480 3.556 3.068 3.772 0.292 12 0 "[ . 1 . 2]" 1
339 1 24 ARG H 1 24 ARG HD2 . . 4.930 3.598 1.993 4.744 . 0 0 "[ . 1 . 2]" 1
340 1 24 ARG H 1 24 ARG HD3 . . 5.030 4.519 3.253 5.071 0.041 18 0 "[ . 1 . 2]" 1
341 1 24 ARG H 1 24 ARG HG2 . . 4.150 3.753 2.996 4.225 0.075 17 0 "[ . 1 . 2]" 1
342 1 24 ARG H 1 24 ARG HG3 . . 3.670 2.596 2.025 3.437 . 0 0 "[ . 1 . 2]" 1
343 1 24 ARG H 1 25 SER H . . 3.480 2.530 2.012 2.998 . 0 0 "[ . 1 . 2]" 1
344 1 24 ARG H 1 25 SER QB . . 5.240 4.221 3.391 5.287 0.047 3 0 "[ . 1 . 2]" 1
345 1 24 ARG H 1 26 PHE QD . . 4.310 3.855 3.258 4.398 0.088 12 0 "[ . 1 . 2]" 1
346 1 24 ARG HA 1 24 ARG HD2 . . 4.600 4.421 3.836 4.717 0.117 14 0 "[ . 1 . 2]" 1
347 1 24 ARG HA 1 24 ARG HD3 . . 4.700 4.434 4.079 4.706 0.006 18 0 "[ . 1 . 2]" 1
348 1 24 ARG HA 1 24 ARG HG2 . . 3.650 3.019 2.358 4.164 0.514 5 3 "[ + - 1 .* 2]" 1
349 1 24 ARG HA 1 24 ARG HG3 . . 4.080 3.082 2.551 3.705 . 0 0 "[ . 1 . 2]" 1
350 1 24 ARG HA 1 26 PHE H . . 4.830 4.320 3.851 4.912 0.082 6 0 "[ . 1 . 2]" 1
351 1 24 ARG HB2 1 24 ARG HD2 . . 3.940 2.610 2.309 3.213 . 0 0 "[ . 1 . 2]" 1
352 1 24 ARG HB2 1 24 ARG HD3 . . 3.790 2.772 2.138 3.226 . 0 0 "[ . 1 . 2]" 1
353 1 24 ARG HB3 1 24 ARG HD2 . . 3.610 3.351 2.880 3.856 0.246 17 0 "[ . 1 . 2]" 1
354 1 24 ARG HB3 1 24 ARG HD3 . . 3.510 2.842 2.278 3.815 0.305 5 0 "[ . 1 . 2]" 1
355 1 24 ARG HB3 1 25 SER H . . 4.880 4.193 3.306 4.708 . 0 0 "[ . 1 . 2]" 1
356 1 25 SER H 1 25 SER QB . . 3.310 2.624 2.405 2.913 . 0 0 "[ . 1 . 2]" 1
357 1 25 SER H 1 26 PHE H . . 3.380 2.808 2.119 3.455 0.075 14 0 "[ . 1 . 2]" 1
358 1 25 SER QB 1 26 PHE H . . 4.170 3.873 3.515 4.179 0.009 2 0 "[ . 1 . 2]" 1
359 1 25 SER QB 1 90 ASN HD21 . . 4.610 3.413 2.689 4.473 . 0 0 "[ . 1 . 2]" 1
360 1 25 SER QB 1 90 ASN HD22 . . 4.410 3.257 2.173 4.482 0.072 12 0 "[ . 1 . 2]" 1
361 1 26 PHE H 1 26 PHE HB2 . . 3.630 2.751 2.498 3.296 . 0 0 "[ . 1 . 2]" 1
362 1 26 PHE H 1 27 ILE H . . 5.280 4.204 3.520 4.465 . 0 0 "[ . 1 . 2]" 1
363 1 26 PHE H 1 27 ILE HA . . 4.710 4.631 4.144 4.793 0.083 15 0 "[ . 1 . 2]" 1
364 1 26 PHE HA 1 27 ILE H . . 3.190 2.285 2.091 2.692 . 0 0 "[ . 1 . 2]" 1
365 1 26 PHE HA 1 27 ILE QG . . 4.050 3.762 3.432 4.028 . 0 0 "[ . 1 . 2]" 1
366 1 26 PHE HB2 1 27 ILE H . . 4.460 4.138 3.103 4.540 0.080 1 0 "[ . 1 . 2]" 1
367 1 26 PHE HB2 1 81 VAL QG . . 4.070 2.859 2.346 3.341 . 0 0 "[ . 1 . 2]" 1
368 1 26 PHE HB3 1 27 ILE H . . 4.100 3.162 1.991 3.832 . 0 0 "[ . 1 . 2]" 1
369 1 26 PHE HB3 1 81 VAL HB . . 4.290 3.000 2.034 4.374 0.084 15 0 "[ . 1 . 2]" 1
370 1 26 PHE HB3 1 81 VAL QG . . 3.720 2.194 1.858 2.536 . 0 0 "[ . 1 . 2]" 1
371 1 26 PHE HB3 1 82 VAL H . . 5.050 4.078 2.800 5.114 0.064 6 0 "[ . 1 . 2]" 1
372 1 26 PHE QD 1 27 ILE H . . 4.950 3.929 2.832 4.643 . 0 0 "[ . 1 . 2]" 1
373 1 26 PHE QD 1 81 VAL HB . . 4.880 3.774 2.264 4.987 0.107 7 0 "[ . 1 . 2]" 1
374 1 26 PHE QD 1 81 VAL QG . . 3.610 2.849 2.023 3.438 . 0 0 "[ . 1 . 2]" 1
375 1 26 PHE QD 1 83 ASP H . . 5.500 4.390 3.143 5.360 . 0 0 "[ . 1 . 2]" 1
376 1 26 PHE QD 1 83 ASP HA . . 3.790 3.213 2.569 3.646 . 0 0 "[ . 1 . 2]" 1
377 1 26 PHE QD 1 83 ASP QB . . 4.930 3.712 2.356 4.772 . 0 0 "[ . 1 . 2]" 1
378 1 26 PHE QD 1 84 GLY H . . 5.420 4.878 4.152 5.512 0.092 14 0 "[ . 1 . 2]" 1
379 1 26 PHE QE 1 81 VAL QG . . 5.480 4.159 2.959 4.781 . 0 0 "[ . 1 . 2]" 1
380 1 26 PHE QE 1 83 ASP HA . . 5.010 3.423 2.349 4.729 . 0 0 "[ . 1 . 2]" 1
381 1 26 PHE QE 1 83 ASP QB . . 5.020 2.904 2.214 4.230 . 0 0 "[ . 1 . 2]" 1
382 1 26 PHE QE 1 93 MET H . . 5.500 4.661 3.775 5.575 0.075 9 0 "[ . 1 . 2]" 1
383 1 26 PHE QE 1 93 MET HB2 . . 5.500 4.939 3.819 5.567 0.067 1 0 "[ . 1 . 2]" 1
384 1 26 PHE QE 1 93 MET QG . . 5.430 3.303 2.532 4.187 . 0 0 "[ . 1 . 2]" 1
385 1 27 ILE H 1 27 ILE HB . . 3.460 2.699 2.439 3.527 0.067 14 0 "[ . 1 . 2]" 1
386 1 27 ILE H 1 27 ILE MD . . 4.160 3.179 1.978 4.254 0.094 6 0 "[ . 1 . 2]" 1
387 1 27 ILE H 1 27 ILE QG . . 4.010 2.437 1.775 3.506 . 0 0 "[ . 1 . 2]" 1
388 1 27 ILE H 1 28 LYS H . . 5.490 4.085 3.598 4.544 . 0 0 "[ . 1 . 2]" 1
389 1 27 ILE H 1 81 VAL QG . . 5.380 3.308 2.401 4.236 . 0 0 "[ . 1 . 2]" 1
390 1 27 ILE H 1 82 VAL H . . 3.950 3.661 2.681 4.017 0.067 12 0 "[ . 1 . 2]" 1
391 1 27 ILE HA 1 27 ILE QG . . 3.910 2.786 2.414 3.381 . 0 0 "[ . 1 . 2]" 1
392 1 27 ILE HA 1 28 LYS H . . 2.890 2.237 2.095 2.362 . 0 0 "[ . 1 . 2]" 1
393 1 27 ILE HB 1 27 ILE MD . . 3.160 2.618 2.211 3.265 0.105 1 0 "[ . 1 . 2]" 1
394 1 27 ILE HB 1 28 LYS H . . 5.040 4.423 4.088 4.542 . 0 0 "[ . 1 . 2]" 1
395 1 27 ILE HB 1 82 VAL H . . 4.370 4.039 2.797 4.463 0.093 6 0 "[ . 1 . 2]" 1
396 1 28 LYS H 1 28 LYS HB2 . . 4.060 3.145 2.148 3.788 . 0 0 "[ . 1 . 2]" 1
397 1 28 LYS H 1 29 SER H . . 5.020 4.613 4.270 4.758 . 0 0 "[ . 1 . 2]" 1
398 1 28 LYS H 1 56 ASP H . . 5.160 4.755 3.517 5.236 0.076 4 0 "[ . 1 . 2]" 1
399 1 28 LYS H 1 56 ASP HA . . 5.170 3.419 2.731 4.966 . 0 0 "[ . 1 . 2]" 1
400 1 28 LYS HA 1 29 SER H . . 2.990 2.358 2.138 3.042 0.052 15 0 "[ . 1 . 2]" 1
401 1 28 LYS HA 1 81 VAL QG . . 4.570 2.409 2.044 4.258 . 0 0 "[ . 1 . 2]" 1
402 1 28 LYS HB2 1 29 SER H . . 5.450 3.313 2.415 4.324 . 0 0 "[ . 1 . 2]" 1
403 1 28 LYS HB2 1 81 VAL QG . . 5.380 3.529 2.140 4.602 . 0 0 "[ . 1 . 2]" 1
404 1 28 LYS HB2 1 95 TRP HZ2 . . 5.090 3.433 2.166 5.176 0.086 15 0 "[ . 1 . 2]" 1
405 1 28 LYS HB3 1 29 SER H . . 4.840 3.393 1.744 4.161 . 0 0 "[ . 1 . 2]" 1
406 1 28 LYS HB3 1 81 VAL QG . . 4.610 2.876 1.978 4.250 . 0 0 "[ . 1 . 2]" 1
407 1 28 LYS HB3 1 95 TRP HZ2 . . 4.180 3.162 2.254 5.150 0.970 17 1 "[ . 1 . + 2]" 1
408 1 29 SER H 1 29 SER HB2 . . 3.640 2.962 2.511 3.729 0.089 17 0 "[ . 1 . 2]" 1
409 1 29 SER H 1 29 SER QB . . 3.690 2.703 2.471 3.225 . 0 0 "[ . 1 . 2]" 1
410 1 29 SER H 1 30 VAL MG2 . . 4.960 3.775 3.222 4.432 . 0 0 "[ . 1 . 2]" 1
411 1 29 SER H 1 80 GLY H . . 3.780 3.296 2.772 3.863 0.083 7 0 "[ . 1 . 2]" 1
412 1 29 SER H 1 81 VAL QG . . 4.460 3.839 3.319 4.330 . 0 0 "[ . 1 . 2]" 1
413 1 29 SER H 1 95 TRP HZ2 . . 5.500 4.355 3.358 5.450 . 0 0 "[ . 1 . 2]" 1
414 1 29 SER HA 1 30 VAL H . . 2.690 2.327 2.237 2.602 . 0 0 "[ . 1 . 2]" 1
415 1 29 SER HA 1 30 VAL HB . . 4.970 4.773 4.390 5.041 0.071 12 0 "[ . 1 . 2]" 1
416 1 29 SER QB 1 80 GLY H . . 4.950 3.727 2.929 5.050 0.100 15 0 "[ . 1 . 2]" 1
417 1 29 SER HB2 1 30 VAL H . . 4.030 3.989 3.355 4.547 0.517 2 1 "[ + . 1 . 2]" 1
418 1 30 VAL H 1 30 VAL HB . . 3.660 2.879 2.637 3.118 . 0 0 "[ . 1 . 2]" 1
419 1 30 VAL H 1 30 VAL MG1 . . 4.180 3.963 3.869 4.074 . 0 0 "[ . 1 . 2]" 1
420 1 30 VAL H 1 30 VAL MG2 . . 4.360 3.039 2.580 3.307 . 0 0 "[ . 1 . 2]" 1
421 1 30 VAL H 1 31 VAL H . . 5.300 4.151 3.786 4.436 . 0 0 "[ . 1 . 2]" 1
422 1 30 VAL H 1 53 ILE HA . . 4.700 4.307 3.836 4.737 0.037 1 0 "[ . 1 . 2]" 1
423 1 30 VAL H 1 53 ILE MG . . 5.050 3.297 2.897 3.541 . 0 0 "[ . 1 . 2]" 1
424 1 30 VAL H 1 54 LEU H . . 3.980 3.078 2.692 3.487 . 0 0 "[ . 1 . 2]" 1
425 1 30 VAL H 1 54 LEU HB2 . . 4.150 3.258 2.472 3.799 . 0 0 "[ . 1 . 2]" 1
426 1 30 VAL H 1 54 LEU HB3 . . 4.880 4.329 3.632 4.941 0.061 4 0 "[ . 1 . 2]" 1
427 1 30 VAL H 1 54 LEU QD . . 5.010 4.503 4.085 4.798 . 0 0 "[ . 1 . 2]" 1
428 1 30 VAL HA 1 30 VAL MG2 . . 3.350 2.480 2.238 2.739 . 0 0 "[ . 1 . 2]" 1
429 1 30 VAL HA 1 31 VAL H . . 2.870 2.241 2.110 2.511 . 0 0 "[ . 1 . 2]" 1
430 1 30 VAL HA 1 79 GLY QA . . 4.050 2.929 2.162 3.655 . 0 0 "[ . 1 . 2]" 1
431 1 30 VAL HB 1 31 VAL H . . 4.740 4.109 3.295 4.497 . 0 0 "[ . 1 . 2]" 1
432 1 30 VAL HB 1 53 ILE HA . . 4.990 4.883 3.919 5.070 0.080 14 0 "[ . 1 . 2]" 1
433 1 30 VAL HB 1 54 LEU H . . 4.370 3.314 2.521 3.760 . 0 0 "[ . 1 . 2]" 1
434 1 30 VAL HB 1 54 LEU HB2 . . 3.390 2.271 2.015 2.581 . 0 0 "[ . 1 . 2]" 1
435 1 30 VAL HB 1 54 LEU HB3 . . 4.040 3.736 2.640 4.106 0.066 19 0 "[ . 1 . 2]" 1
436 1 30 VAL HB 1 54 LEU QD . . 3.290 2.957 2.292 3.332 0.042 19 0 "[ . 1 . 2]" 1
437 1 30 VAL MG1 1 31 VAL H . . 4.280 2.689 1.841 3.304 . 0 0 "[ . 1 . 2]" 1
438 1 30 VAL MG2 1 54 LEU H . . 5.100 4.612 3.672 4.952 . 0 0 "[ . 1 . 2]" 1
439 1 30 VAL MG2 1 54 LEU HB2 . . 4.690 3.351 2.397 3.975 . 0 0 "[ . 1 . 2]" 1
440 1 30 VAL MG2 1 80 GLY H . . 4.790 4.487 3.914 4.893 0.103 17 0 "[ . 1 . 2]" 1
441 1 31 VAL H 1 31 VAL HB . . 3.310 2.700 2.352 3.377 0.067 12 0 "[ . 1 . 2]" 1
442 1 31 VAL H 1 53 ILE MD . . 4.190 4.207 3.853 4.301 0.111 14 0 "[ . 1 . 2]" 1
443 1 31 VAL H 1 78 SER H . . 3.780 2.805 2.402 3.155 . 0 0 "[ . 1 . 2]" 1
444 1 31 VAL H 1 78 SER QB . . 5.420 4.145 3.367 4.960 . 0 0 "[ . 1 . 2]" 1
445 1 31 VAL HA 1 31 VAL MG2 . . 3.030 2.532 2.420 2.645 . 0 0 "[ . 1 . 2]" 1
446 1 31 VAL HA 1 32 VAL H . . 2.770 2.333 2.174 2.794 0.024 14 0 "[ . 1 . 2]" 1
447 1 31 VAL HA 1 53 ILE HA . . 3.320 2.572 2.235 2.850 . 0 0 "[ . 1 . 2]" 1
448 1 31 VAL HA 1 53 ILE MD . . 3.160 2.087 1.983 2.167 . 0 0 "[ . 1 . 2]" 1
449 1 31 VAL HA 1 53 ILE HG13 . . 4.680 4.712 4.361 4.766 0.086 7 0 "[ . 1 . 2]" 1
450 1 31 VAL HA 1 54 LEU H . . 4.870 3.850 3.598 4.247 . 0 0 "[ . 1 . 2]" 1
451 1 31 VAL HB 1 78 SER H . . 4.250 3.254 2.060 4.320 0.070 16 0 "[ . 1 . 2]" 1
452 1 31 VAL HB 1 78 SER QB . . 4.060 3.405 2.075 4.128 0.068 7 0 "[ . 1 . 2]" 1
453 1 31 VAL MG1 1 32 VAL HA . . 4.730 3.808 3.301 4.595 . 0 0 "[ . 1 . 2]" 1
454 1 31 VAL MG1 1 78 SER H . . 4.120 3.120 1.796 4.209 0.089 11 0 "[ . 1 . 2]" 1
455 1 31 VAL MG2 1 78 SER QB . . 5.280 3.477 2.117 4.322 . 0 0 "[ . 1 . 2]" 1
456 1 32 VAL H 1 32 VAL HB . . 3.310 3.061 2.518 3.391 0.081 15 0 "[ . 1 . 2]" 1
457 1 32 VAL H 1 32 VAL QG . . 3.570 2.489 2.103 2.949 . 0 0 "[ . 1 . 2]" 1
458 1 32 VAL H 1 33 VAL HA . . 5.500 4.871 4.615 5.580 0.080 14 0 "[ . 1 . 2]" 1
459 1 32 VAL H 1 54 LEU H . . 5.220 4.699 4.100 5.253 0.033 19 0 "[ . 1 . 2]" 1
460 1 32 VAL HA 1 32 VAL QG . . 3.100 2.254 2.092 2.495 . 0 0 "[ . 1 . 2]" 1
461 1 32 VAL HA 1 33 VAL H . . 2.810 2.247 2.115 2.509 . 0 0 "[ . 1 . 2]" 1
462 1 32 VAL QG 1 33 VAL H . . 3.470 2.476 1.987 2.864 . 0 0 "[ . 1 . 2]" 1
463 1 32 VAL QG 1 33 VAL HA . . 5.500 3.561 2.937 4.127 . 0 0 "[ . 1 . 2]" 1
464 1 32 VAL QG 1 34 ALA MB . . 5.330 3.606 3.007 4.179 . 0 0 "[ . 1 . 2]" 1
465 1 32 VAL QG 1 39 LEU QD . . 3.120 2.001 1.773 2.540 . 0 0 "[ . 1 . 2]" 1
466 1 32 VAL QG 1 39 LEU HG . . 4.920 2.994 2.027 4.044 . 0 0 "[ . 1 . 2]" 1
467 1 32 VAL QG 1 76 ALA H . . 5.390 4.149 3.351 5.254 . 0 0 "[ . 1 . 2]" 1
468 1 33 VAL H 1 33 VAL HB . . 3.230 2.793 2.577 3.290 0.060 11 0 "[ . 1 . 2]" 1
469 1 33 VAL H 1 33 VAL QG . . 3.710 2.787 2.477 2.959 . 0 0 "[ . 1 . 2]" 1
470 1 33 VAL H 1 76 ALA H . . 3.740 2.911 2.233 3.477 . 0 0 "[ . 1 . 2]" 1
471 1 33 VAL H 1 76 ALA HA . . 5.290 5.214 4.826 5.371 0.081 19 0 "[ . 1 . 2]" 1
472 1 33 VAL H 1 76 ALA MB . . 3.710 3.395 2.608 3.778 0.068 10 0 "[ . 1 . 2]" 1
473 1 33 VAL H 1 77 VAL MG2 . . 5.010 4.594 3.932 5.098 0.088 18 0 "[ . 1 . 2]" 1
474 1 33 VAL HA 1 33 VAL QG . . 3.100 2.183 2.131 2.267 . 0 0 "[ . 1 . 2]" 1
475 1 33 VAL HA 1 34 ALA H . . 2.780 2.362 2.199 2.494 . 0 0 "[ . 1 . 2]" 1
476 1 33 VAL HA 1 34 ALA HA . . 4.600 4.533 4.420 4.573 . 0 0 "[ . 1 . 2]" 1
477 1 33 VAL HA 1 34 ALA MB . . 4.510 4.084 3.884 4.316 . 0 0 "[ . 1 . 2]" 1
478 1 33 VAL HA 1 51 PRO HA . . 3.530 2.436 2.130 2.692 . 0 0 "[ . 1 . 2]" 1
479 1 33 VAL HA 1 51 PRO HB2 . . 4.290 3.761 3.093 4.504 0.214 19 0 "[ . 1 . 2]" 1
480 1 33 VAL HA 1 52 VAL H . . 4.260 3.869 3.577 4.204 . 0 0 "[ . 1 . 2]" 1
481 1 33 VAL HA 1 76 ALA MB . . 4.950 4.826 4.412 5.030 0.080 19 0 "[ . 1 . 2]" 1
482 1 33 VAL HB 1 34 ALA H . . 5.110 3.895 3.590 4.274 . 0 0 "[ . 1 . 2]" 1
483 1 33 VAL HB 1 76 ALA H . . 3.650 2.946 2.291 3.724 0.074 11 0 "[ . 1 . 2]" 1
484 1 33 VAL HB 1 76 ALA MB . . 3.010 2.614 2.188 3.044 0.034 12 0 "[ . 1 . 2]" 1
485 1 33 VAL QG 1 34 ALA H . . 3.090 2.327 1.989 2.895 . 0 0 "[ . 1 . 2]" 1
486 1 33 VAL QG 1 34 ALA HA . . 4.940 3.510 3.070 3.972 . 0 0 "[ . 1 . 2]" 1
487 1 33 VAL QG 1 35 ASN H . . 4.410 3.686 2.823 4.516 0.106 5 0 "[ . 1 . 2]" 1
488 1 33 VAL QG 1 35 ASN QB . . 4.860 3.784 3.104 4.246 . 0 0 "[ . 1 . 2]" 1
489 1 33 VAL QG 1 35 ASN HD21 . . 5.500 5.319 4.598 5.609 0.109 15 0 "[ . 1 . 2]" 1
490 1 33 VAL QG 1 50 SER HB2 . . 5.100 4.283 2.716 5.117 0.017 20 0 "[ . 1 . 2]" 1
491 1 33 VAL QG 1 51 PRO HA . . 4.080 3.189 2.380 3.601 . 0 0 "[ . 1 . 2]" 1
492 1 33 VAL QG 1 51 PRO HB2 . . 3.060 2.712 2.411 3.686 0.626 11 1 "[ . 1+ . 2]" 1
493 1 33 VAL QG 1 51 PRO QD . . 5.140 3.336 2.543 3.846 . 0 0 "[ . 1 . 2]" 1
494 1 33 VAL QG 1 51 PRO HG2 . . 4.050 4.126 3.972 4.171 0.121 13 0 "[ . 1 . 2]" 1
495 1 33 VAL QG 1 51 PRO HG3 . . 4.350 3.291 3.005 3.607 . 0 0 "[ . 1 . 2]" 1
496 1 33 VAL QG 1 76 ALA H . . 4.580 3.501 1.874 4.135 . 0 0 "[ . 1 . 2]" 1
497 1 33 VAL QG 1 76 ALA MB . . 3.420 2.386 2.038 2.767 . 0 0 "[ . 1 . 2]" 1
498 1 34 ALA H 1 34 ALA MB . . 3.500 2.700 2.519 2.839 . 0 0 "[ . 1 . 2]" 1
499 1 34 ALA H 1 35 ASN H . . 4.410 3.893 3.472 4.304 . 0 0 "[ . 1 . 2]" 1
500 1 34 ALA H 1 39 LEU QD . . 4.660 4.164 2.825 4.685 0.025 16 0 "[ . 1 . 2]" 1
501 1 34 ALA H 1 50 SER HB2 . . 4.120 3.187 2.444 4.175 0.055 16 0 "[ . 1 . 2]" 1
502 1 34 ALA H 1 50 SER HB3 . . 3.930 3.299 2.067 4.036 0.106 14 0 "[ . 1 . 2]" 1
503 1 34 ALA H 1 51 PRO HA . . 4.170 3.783 3.311 4.244 0.074 13 0 "[ . 1 . 2]" 1
504 1 34 ALA HA 1 35 ASN H . . 2.820 2.190 2.079 2.310 . 0 0 "[ . 1 . 2]" 1
505 1 34 ALA HA 1 37 THR MG . . 5.320 4.667 3.817 5.403 0.083 17 0 "[ . 1 . 2]" 1
506 1 34 ALA HA 1 72 ALA MB . . 4.560 3.353 2.429 4.313 . 0 0 "[ . 1 . 2]" 1
507 1 34 ALA HA 1 74 GLU H . . 4.120 3.838 3.384 4.206 0.086 18 0 "[ . 1 . 2]" 1
508 1 34 ALA HA 1 75 PHE QD . . 3.820 3.247 2.582 3.904 0.084 16 0 "[ . 1 . 2]" 1
509 1 34 ALA MB 1 35 ASN H . . 3.960 3.196 2.468 3.598 . 0 0 "[ . 1 . 2]" 1
510 1 34 ALA MB 1 37 THR H . . 4.440 3.493 3.028 4.061 . 0 0 "[ . 1 . 2]" 1
511 1 34 ALA MB 1 37 THR MG . . 3.250 2.700 2.111 3.279 0.029 17 0 "[ . 1 . 2]" 1
512 1 34 ALA MB 1 39 LEU QD . . 3.200 2.121 1.891 2.654 . 0 0 "[ . 1 . 2]" 1
513 1 34 ALA MB 1 50 SER HB2 . . 4.480 2.957 2.112 3.864 . 0 0 "[ . 1 . 2]" 1
514 1 34 ALA MB 1 50 SER HB3 . . 4.080 3.088 2.484 3.742 . 0 0 "[ . 1 . 2]" 1
515 1 34 ALA MB 1 72 ALA HA . . 4.980 4.516 3.777 5.072 0.092 16 0 "[ . 1 . 2]" 1
516 1 34 ALA MB 1 72 ALA MB . . 3.360 2.717 2.166 3.472 0.112 1 0 "[ . 1 . 2]" 1
517 1 35 ASN H 1 35 ASN QB . . 3.200 2.305 2.156 2.614 . 0 0 "[ . 1 . 2]" 1
518 1 35 ASN H 1 36 GLY H . . 4.920 4.281 3.827 4.563 . 0 0 "[ . 1 . 2]" 1
519 1 35 ASN H 1 72 ALA MB . . 4.010 3.038 1.757 4.065 0.055 1 0 "[ . 1 . 2]" 1
520 1 35 ASN H 1 73 ILE H . . 5.240 3.291 2.471 3.905 . 0 0 "[ . 1 . 2]" 1
521 1 35 ASN H 1 74 GLU H . . 3.780 2.839 2.291 3.226 . 0 0 "[ . 1 . 2]" 1
522 1 35 ASN H 1 74 GLU HB2 . . 4.570 2.939 1.624 5.427 0.857 10 1 "[ . + . 2]" 1
523 1 35 ASN H 1 75 PHE QD . . 5.400 4.905 4.225 5.466 0.066 10 0 "[ . 1 . 2]" 1
524 1 35 ASN HA 1 36 GLY H . . 2.900 2.235 2.164 2.402 . 0 0 "[ . 1 . 2]" 1
525 1 35 ASN HA 1 36 GLY HA2 . . 4.440 4.279 4.134 4.415 . 0 0 "[ . 1 . 2]" 1
526 1 35 ASN QB 1 36 GLY H . . 4.480 3.958 3.807 4.057 . 0 0 "[ . 1 . 2]" 1
527 1 35 ASN QB 1 36 GLY HA3 . . 4.660 4.457 4.257 4.564 . 0 0 "[ . 1 . 2]" 1
528 1 35 ASN QB 1 72 ALA MB . . 5.180 3.676 3.074 4.307 . 0 0 "[ . 1 . 2]" 1
529 1 35 ASN QB 1 73 ILE H . . 4.250 2.235 1.791 2.591 . 0 0 "[ . 1 . 2]" 1
530 1 35 ASN QB 1 73 ILE HB . . 3.910 2.401 2.021 2.886 . 0 0 "[ . 1 . 2]" 1
531 1 35 ASN QB 1 73 ILE MD . . 4.420 4.198 3.728 4.383 . 0 0 "[ . 1 . 2]" 1
532 1 35 ASN QB 1 73 ILE QG . . 4.020 2.830 2.132 3.024 . 0 0 "[ . 1 . 2]" 1
533 1 35 ASN QB 1 74 GLU H . . 3.650 2.707 2.339 3.098 . 0 0 "[ . 1 . 2]" 1
534 1 35 ASN QB 1 74 GLU HB2 . . 3.560 2.522 2.130 3.980 0.420 10 0 "[ . 1 . 2]" 1
535 1 35 ASN QB 1 74 GLU HB3 . . 4.060 3.609 2.835 3.870 . 0 0 "[ . 1 . 2]" 1
536 1 35 ASN QB 1 74 GLU QG . . 4.780 2.464 1.812 3.256 . 0 0 "[ . 1 . 2]" 1
537 1 35 ASN HD21 1 73 ILE HB . . 4.710 3.027 2.320 3.551 . 0 0 "[ . 1 . 2]" 1
538 1 35 ASN HD21 1 73 ILE MD . . 5.500 5.415 4.498 5.608 0.108 15 0 "[ . 1 . 2]" 1
539 1 35 ASN HD21 1 73 ILE QG . . 5.240 4.070 3.515 4.890 . 0 0 "[ . 1 . 2]" 1
540 1 35 ASN HD21 1 73 ILE MG . . 4.370 4.083 3.568 4.460 0.090 6 0 "[ . 1 . 2]" 1
541 1 35 ASN HD21 1 74 GLU HB2 . . 4.220 3.973 3.364 5.081 0.861 19 1 "[ . 1 . +2]" 1
542 1 35 ASN HD21 1 74 GLU QG . . 4.360 2.690 2.133 3.376 . 0 0 "[ . 1 . 2]" 1
543 1 36 GLY H 1 37 THR H . . 3.240 2.776 2.277 3.326 0.086 14 0 "[ . 1 . 2]" 1
544 1 36 GLY H 1 37 THR MG . . 5.500 4.653 4.082 5.252 . 0 0 "[ . 1 . 2]" 1
545 1 36 GLY H 1 73 ILE H . . 4.950 4.992 4.878 5.041 0.091 19 0 "[ . 1 . 2]" 1
546 1 36 GLY HA3 1 73 ILE QG . . 5.370 3.243 2.425 4.059 . 0 0 "[ . 1 . 2]" 1
547 1 37 THR H 1 37 THR HB . . 3.900 3.214 2.349 3.560 . 0 0 "[ . 1 . 2]" 1
548 1 37 THR H 1 37 THR MG . . 3.240 2.548 2.043 2.968 . 0 0 "[ . 1 . 2]" 1
549 1 37 THR H 1 38 GLN H . . 5.250 4.344 4.202 4.579 . 0 0 "[ . 1 . 2]" 1
550 1 37 THR H 1 72 ALA MB . . 5.410 3.855 2.919 5.173 . 0 0 "[ . 1 . 2]" 1
551 1 37 THR HA 1 37 THR HB . . 2.710 2.518 2.446 2.615 . 0 0 "[ . 1 . 2]" 1
552 1 37 THR HA 1 37 THR MG . . 3.120 3.218 3.210 3.226 0.106 6 0 "[ . 1 . 2]" 1
553 1 37 THR HA 1 38 GLN H . . 3.460 2.720 2.515 2.925 . 0 0 "[ . 1 . 2]" 1
554 1 37 THR HB 1 38 GLN H . . 4.030 3.752 3.604 3.916 . 0 0 "[ . 1 . 2]" 1
555 1 37 THR HB 1 72 ALA MB . . 4.370 3.899 2.909 4.464 0.094 19 0 "[ . 1 . 2]" 1
556 1 37 THR MG 1 38 GLN H . . 3.650 2.689 2.259 3.156 . 0 0 "[ . 1 . 2]" 1
557 1 37 THR MG 1 68 THR H . . 5.500 5.043 4.793 5.492 . 0 0 "[ . 1 . 2]" 1
558 1 37 THR MG 1 68 THR HB . . 3.080 2.218 1.966 3.022 . 0 0 "[ . 1 . 2]" 1
559 1 37 THR MG 1 68 THR MG . . 3.990 2.359 2.048 3.002 . 0 0 "[ . 1 . 2]" 1
560 1 37 THR MG 1 69 THR H . . 3.980 2.970 2.389 3.601 . 0 0 "[ . 1 . 2]" 1
561 1 37 THR MG 1 70 GLY H . . 4.040 2.522 1.842 3.691 . 0 0 "[ . 1 . 2]" 1
562 1 37 THR MG 1 71 LYS H . . 5.290 3.809 1.925 5.375 0.085 15 0 "[ . 1 . 2]" 1
563 1 37 THR MG 1 71 LYS HA . . 5.080 4.040 3.185 4.731 . 0 0 "[ . 1 . 2]" 1
564 1 37 THR MG 1 72 ALA H . . 4.620 3.827 3.259 4.133 . 0 0 "[ . 1 . 2]" 1
565 1 37 THR MG 1 72 ALA HA . . 3.390 2.975 2.403 3.453 0.063 17 0 "[ . 1 . 2]" 1
566 1 37 THR MG 1 72 ALA MB . . 3.450 2.083 1.854 2.507 . 0 0 "[ . 1 . 2]" 1
567 1 38 GLN H 1 38 GLN QB . . 3.450 2.373 2.229 2.612 . 0 0 "[ . 1 . 2]" 1
568 1 38 GLN H 1 38 GLN HG3 . . 3.920 3.770 3.329 4.773 0.853 13 1 "[ . 1 + . 2]" 1
569 1 38 GLN H 1 39 LEU H . . 4.640 4.436 4.284 4.529 . 0 0 "[ . 1 . 2]" 1
570 1 38 GLN H 1 69 THR H . . 3.910 3.460 2.929 3.991 0.081 17 0 "[ . 1 . 2]" 1
571 1 38 GLN H 1 69 THR MG . . 4.700 3.894 3.502 4.250 . 0 0 "[ . 1 . 2]" 1
572 1 38 GLN H 1 70 GLY H . . 4.220 4.100 3.169 4.297 0.077 4 0 "[ . 1 . 2]" 1
573 1 38 GLN HA 1 38 GLN HE21 . . 5.490 4.469 2.894 4.989 . 0 0 "[ . 1 . 2]" 1
574 1 38 GLN HA 1 38 GLN HG2 . . 3.500 2.909 2.182 3.538 0.038 19 0 "[ . 1 . 2]" 1
575 1 38 GLN HA 1 38 GLN HG3 . . 3.100 2.407 2.025 3.515 0.415 13 0 "[ . 1 . 2]" 1
576 1 38 GLN HA 1 39 LEU H . . 3.260 2.424 2.219 2.661 . 0 0 "[ . 1 . 2]" 1
577 1 38 GLN HA 1 49 ALA HA . . 4.100 3.788 3.102 4.181 0.081 13 0 "[ . 1 . 2]" 1
578 1 38 GLN QB 1 39 LEU H . . 3.130 2.300 1.882 2.614 . 0 0 "[ . 1 . 2]" 1
579 1 38 GLN QB 1 47 SER HB2 . . 4.860 4.108 2.694 4.831 . 0 0 "[ . 1 . 2]" 1
580 1 38 GLN QB 1 47 SER HB3 . . 4.540 3.799 2.870 4.905 0.365 18 0 "[ . 1 . 2]" 1
581 1 38 GLN QB 1 48 LEU H . . 4.200 3.338 2.646 4.111 . 0 0 "[ . 1 . 2]" 1
582 1 38 GLN QB 1 69 THR H . . 5.220 4.032 3.729 4.625 . 0 0 "[ . 1 . 2]" 1
583 1 38 GLN QB 1 69 THR MG . . 3.500 2.865 2.487 3.217 . 0 0 "[ . 1 . 2]" 1
584 1 38 GLN HE21 1 49 ALA HA . . 4.740 3.523 2.662 4.310 . 0 0 "[ . 1 . 2]" 1
585 1 38 GLN HE21 1 49 ALA MB . . 4.570 3.543 2.569 4.348 . 0 0 "[ . 1 . 2]" 1
586 1 38 GLN HE21 1 50 SER H . . 5.500 5.030 4.159 5.581 0.081 4 0 "[ . 1 . 2]" 1
587 1 38 GLN HE22 1 49 ALA MB . . 4.940 4.465 2.849 5.040 0.100 15 0 "[ . 1 . 2]" 1
588 1 38 GLN HG2 1 39 LEU H . . 4.190 3.645 2.932 4.278 0.088 13 0 "[ . 1 . 2]" 1
589 1 38 GLN HG2 1 49 ALA HA . . 3.840 2.591 2.065 3.693 . 0 0 "[ . 1 . 2]" 1
590 1 38 GLN HG2 1 49 ALA MB . . 5.270 3.579 2.698 4.392 . 0 0 "[ . 1 . 2]" 1
591 1 38 GLN HG2 1 50 SER H . . 4.570 3.827 2.821 4.709 0.139 13 0 "[ . 1 . 2]" 1
592 1 38 GLN HG2 1 69 THR MG . . 5.310 5.069 4.581 5.410 0.100 13 0 "[ . 1 . 2]" 1
593 1 38 GLN HG3 1 39 LEU H . . 4.180 3.929 3.213 4.259 0.079 18 0 "[ . 1 . 2]" 1
594 1 38 GLN HG3 1 49 ALA HA . . 3.610 3.104 2.075 3.691 0.081 2 0 "[ . 1 . 2]" 1
595 1 38 GLN HG3 1 49 ALA MB . . 5.270 4.132 2.840 4.866 . 0 0 "[ . 1 . 2]" 1
596 1 38 GLN HG3 1 50 SER H . . 4.680 3.879 2.533 4.760 0.080 7 0 "[ . 1 . 2]" 1
597 1 38 GLN HG3 1 69 THR MG . . 5.370 5.346 4.964 5.466 0.096 16 0 "[ . 1 . 2]" 1
598 1 39 LEU H 1 39 LEU HB2 . . 4.090 2.303 2.120 2.639 . 0 0 "[ . 1 . 2]" 1
599 1 39 LEU H 1 39 LEU HB3 . . 3.600 3.224 2.592 3.788 0.188 18 0 "[ . 1 . 2]" 1
600 1 39 LEU H 1 39 LEU QD . . 4.180 3.276 2.778 3.701 . 0 0 "[ . 1 . 2]" 1
601 1 39 LEU H 1 39 LEU HG . . 4.430 4.205 2.582 4.512 0.082 20 0 "[ . 1 . 2]" 1
602 1 39 LEU H 1 48 LEU H . . 3.800 3.239 2.835 3.661 . 0 0 "[ . 1 . 2]" 1
603 1 39 LEU H 1 48 LEU QB . . 4.790 3.425 2.911 3.927 . 0 0 "[ . 1 . 2]" 1
604 1 39 LEU H 1 69 THR MG . . 4.620 3.965 3.365 4.357 . 0 0 "[ . 1 . 2]" 1
605 1 39 LEU HA 1 39 LEU QD . . 3.110 2.061 1.966 2.268 . 0 0 "[ . 1 . 2]" 1
606 1 39 LEU HA 1 39 LEU HG . . 3.680 3.317 2.466 3.742 0.062 2 0 "[ . 1 . 2]" 1
607 1 39 LEU HA 1 40 LYS H . . 3.000 2.379 2.176 2.493 . 0 0 "[ . 1 . 2]" 1
608 1 39 LEU HA 1 69 THR H . . 3.890 3.453 3.184 3.824 . 0 0 "[ . 1 . 2]" 1
609 1 39 LEU HA 1 69 THR MG . . 4.290 3.617 3.157 3.922 . 0 0 "[ . 1 . 2]" 1
610 1 39 LEU HB2 1 39 LEU QD . . 2.550 2.359 2.108 2.520 . 0 0 "[ . 1 . 2]" 1
611 1 39 LEU HB2 1 40 LYS H . . 3.950 3.957 3.248 4.032 0.082 20 0 "[ . 1 . 2]" 1
612 1 39 LEU HB3 1 40 LYS H . . 4.260 2.821 2.226 3.369 . 0 0 "[ . 1 . 2]" 1
613 1 39 LEU HB3 1 48 LEU QB . . 3.370 2.537 2.103 3.583 0.213 18 0 "[ . 1 . 2]" 1
614 1 39 LEU QD 1 40 LYS H . . 3.850 2.669 2.104 3.423 . 0 0 "[ . 1 . 2]" 1
615 1 39 LEU QD 1 50 SER H . . 5.160 4.042 2.792 4.667 . 0 0 "[ . 1 . 2]" 1
616 1 39 LEU QD 1 50 SER HB2 . . 4.220 3.281 1.987 4.121 . 0 0 "[ . 1 . 2]" 1
617 1 39 LEU QD 1 50 SER HB3 . . 3.670 3.050 2.124 3.789 0.119 7 0 "[ . 1 . 2]" 1
618 1 39 LEU QD 1 67 SER H . . 4.370 3.133 2.403 4.174 . 0 0 "[ . 1 . 2]" 1
619 1 39 LEU QD 1 68 THR H . . 4.820 4.221 3.740 4.752 . 0 0 "[ . 1 . 2]" 1
620 1 39 LEU QD 1 68 THR HA . . 3.640 2.860 2.366 3.260 . 0 0 "[ . 1 . 2]" 1
621 1 39 LEU QD 1 69 THR H . . 4.650 4.279 3.735 4.642 . 0 0 "[ . 1 . 2]" 1
622 1 39 LEU HG 1 40 LYS H . . 4.840 3.837 1.931 4.912 0.072 2 0 "[ . 1 . 2]" 1
623 1 40 LYS H 1 40 LYS HB2 . . 3.270 3.106 2.975 3.330 0.060 14 0 "[ . 1 . 2]" 1
624 1 40 LYS H 1 40 LYS HB3 . . 3.360 2.717 2.535 2.888 . 0 0 "[ . 1 . 2]" 1
625 1 40 LYS H 1 40 LYS HG3 . . 5.340 4.740 4.621 4.862 . 0 0 "[ . 1 . 2]" 1
626 1 40 LYS H 1 41 ASP H . . 4.520 4.196 4.048 4.325 . 0 0 "[ . 1 . 2]" 1
627 1 40 LYS H 1 66 LEU HA . . 4.780 4.329 4.016 4.841 0.061 2 0 "[ . 1 . 2]" 1
628 1 40 LYS H 1 66 LEU HB3 . . 4.720 4.312 3.585 4.725 0.005 7 0 "[ . 1 . 2]" 1
629 1 40 LYS H 1 66 LEU QD . . 4.000 3.663 3.286 4.039 0.039 2 0 "[ . 1 . 2]" 1
630 1 40 LYS H 1 67 SER H . . 3.470 2.777 2.589 3.098 . 0 0 "[ . 1 . 2]" 1
631 1 40 LYS H 1 67 SER QB . . 4.540 4.330 3.843 4.449 . 0 0 "[ . 1 . 2]" 1
632 1 40 LYS H 1 68 THR HA . . 4.580 3.691 3.250 4.345 . 0 0 "[ . 1 . 2]" 1
633 1 40 LYS H 1 69 THR H . . 4.810 4.708 4.426 4.893 0.083 14 0 "[ . 1 . 2]" 1
634 1 40 LYS H 1 69 THR MG . . 4.100 3.893 3.528 4.170 0.070 14 0 "[ . 1 . 2]" 1
635 1 40 LYS HA 1 40 LYS QD . . 4.610 3.996 3.829 4.080 . 0 0 "[ . 1 . 2]" 1
636 1 40 LYS HA 1 40 LYS QE . . 4.620 4.575 4.381 4.699 0.079 12 0 "[ . 1 . 2]" 1
637 1 40 LYS HA 1 40 LYS HG3 . . 3.860 2.531 2.248 2.681 . 0 0 "[ . 1 . 2]" 1
638 1 40 LYS HA 1 41 ASP H . . 2.750 2.147 2.059 2.230 . 0 0 "[ . 1 . 2]" 1
639 1 40 LYS HA 1 41 ASP QB . . 4.720 4.101 3.703 4.301 . 0 0 "[ . 1 . 2]" 1
640 1 40 LYS HB2 1 40 LYS QE . . 4.800 3.969 3.839 4.097 . 0 0 "[ . 1 . 2]" 1
641 1 40 LYS HB2 1 41 ASP H . . 4.270 4.319 4.088 4.350 0.080 6 0 "[ . 1 . 2]" 1
642 1 40 LYS HB2 1 67 SER H . . 4.720 4.665 4.142 4.796 0.076 10 0 "[ . 1 . 2]" 1
643 1 40 LYS HB2 1 69 THR MG . . 3.190 2.257 2.043 2.543 . 0 0 "[ . 1 . 2]" 1
644 1 40 LYS HB3 1 67 SER H . . 4.230 3.213 2.762 3.692 . 0 0 "[ . 1 . 2]" 1
645 1 40 LYS HB3 1 69 THR MG . . 3.840 3.651 3.424 3.915 0.075 4 0 "[ . 1 . 2]" 1
646 1 40 LYS QD 1 45 GLY HA2 . . 4.680 3.874 3.398 4.160 . 0 0 "[ . 1 . 2]" 1
647 1 40 LYS QE 1 40 LYS HG3 . . 3.310 2.433 2.239 2.574 . 0 0 "[ . 1 . 2]" 1
648 1 40 LYS QE 1 45 GLY H . . 4.150 4.076 3.747 4.237 0.087 19 0 "[ . 1 . 2]" 1
649 1 40 LYS QE 1 45 GLY HA2 . . 4.000 2.158 1.936 2.435 . 0 0 "[ . 1 . 2]" 1
650 1 40 LYS QE 1 45 GLY HA3 . . 4.420 2.692 2.270 3.262 . 0 0 "[ . 1 . 2]" 1
651 1 40 LYS QE 1 69 THR MG . . 4.450 4.345 3.961 4.556 0.106 10 0 "[ . 1 . 2]" 1
652 1 40 LYS HG2 1 41 ASP H . . 4.080 3.129 2.704 3.484 . 0 0 "[ . 1 . 2]" 1
653 1 40 LYS HG2 1 41 ASP QB . . 5.210 4.566 4.245 4.799 . 0 0 "[ . 1 . 2]" 1
654 1 40 LYS HG2 1 45 GLY HA2 . . 4.060 2.551 2.077 2.990 . 0 0 "[ . 1 . 2]" 1
655 1 40 LYS HG3 1 41 ASP H . . 3.950 3.392 3.023 3.625 . 0 0 "[ . 1 . 2]" 1
656 1 40 LYS HG3 1 45 GLY H . . 5.360 4.946 4.389 5.370 0.010 4 0 "[ . 1 . 2]" 1
657 1 40 LYS HG3 1 45 GLY HA2 . . 4.780 3.057 2.403 3.515 . 0 0 "[ . 1 . 2]" 1
658 1 40 LYS HG3 1 45 GLY HA3 . . 4.790 4.167 3.677 4.648 . 0 0 "[ . 1 . 2]" 1
659 1 40 LYS HG3 1 47 SER HA . . 3.950 3.711 3.149 4.019 0.069 15 0 "[ . 1 . 2]" 1
660 1 41 ASP H 1 41 ASP QB . . 3.230 2.322 2.072 2.456 . 0 0 "[ . 1 . 2]" 1
661 1 41 ASP H 1 46 GLU H . . 4.500 3.296 2.498 3.657 . 0 0 "[ . 1 . 2]" 1
662 1 41 ASP H 1 48 LEU MD1 . . 4.240 3.530 2.916 4.300 0.060 14 0 "[ . 1 . 2]" 1
663 1 41 ASP H 1 48 LEU HG . . 4.850 2.997 2.593 4.044 . 0 0 "[ . 1 . 2]" 1
664 1 41 ASP H 1 66 LEU QD . . 4.440 3.994 3.638 4.293 . 0 0 "[ . 1 . 2]" 1
665 1 41 ASP HA 1 42 GLY H . . 2.900 2.228 2.116 2.298 . 0 0 "[ . 1 . 2]" 1
666 1 41 ASP HA 1 42 GLY HA2 . . 4.600 4.444 4.349 4.523 . 0 0 "[ . 1 . 2]" 1
667 1 41 ASP HA 1 42 GLY HA3 . . 4.600 4.438 4.335 4.520 . 0 0 "[ . 1 . 2]" 1
668 1 41 ASP HA 1 43 ALA H . . 4.580 3.769 3.543 4.016 . 0 0 "[ . 1 . 2]" 1
669 1 41 ASP HA 1 66 LEU HA . . 4.010 3.616 3.044 4.070 0.060 11 0 "[ . 1 . 2]" 1
670 1 41 ASP HA 1 66 LEU QD . . 3.080 2.036 1.922 2.169 . 0 0 "[ . 1 . 2]" 1
671 1 41 ASP HA 1 66 LEU HG . . 4.710 4.247 2.179 4.780 0.070 3 0 "[ . 1 . 2]" 1
672 1 41 ASP QB 1 42 GLY H . . 4.820 3.790 3.366 4.035 . 0 0 "[ . 1 . 2]" 1
673 1 41 ASP QB 1 43 ALA H . . 4.950 3.280 2.602 3.901 . 0 0 "[ . 1 . 2]" 1
674 1 41 ASP QB 1 44 THR H . . 4.300 3.140 2.650 3.367 . 0 0 "[ . 1 . 2]" 1
675 1 41 ASP QB 1 45 GLY H . . 4.280 3.367 2.794 3.659 . 0 0 "[ . 1 . 2]" 1
676 1 41 ASP QB 1 46 GLU H . . 3.600 2.657 2.278 3.020 . 0 0 "[ . 1 . 2]" 1
677 1 41 ASP QB 1 46 GLU HB2 . . 4.510 2.552 1.977 4.417 . 0 0 "[ . 1 . 2]" 1
678 1 41 ASP QB 1 46 GLU HB3 . . 4.700 3.906 3.213 4.389 . 0 0 "[ . 1 . 2]" 1
679 1 41 ASP QB 1 48 LEU MD1 . . 3.640 2.205 2.009 2.510 . 0 0 "[ . 1 . 2]" 1
680 1 41 ASP QB 1 48 LEU MD2 . . 3.710 2.740 2.162 3.627 . 0 0 "[ . 1 . 2]" 1
681 1 41 ASP QB 1 48 LEU HG . . 4.680 2.877 2.246 3.415 . 0 0 "[ . 1 . 2]" 1
682 1 41 ASP QB 1 66 LEU QD . . 4.460 3.401 2.819 3.727 . 0 0 "[ . 1 . 2]" 1
683 1 42 GLY H 1 43 ALA H . . 3.400 2.777 2.497 2.972 . 0 0 "[ . 1 . 2]" 1
684 1 42 GLY H 1 43 ALA MB . . 4.420 4.399 4.171 4.510 0.090 14 0 "[ . 1 . 2]" 1
685 1 42 GLY H 1 44 THR H . . 5.110 4.932 4.538 5.176 0.066 10 0 "[ . 1 . 2]" 1
686 1 42 GLY H 1 65 THR MG . . 5.200 4.851 3.964 5.300 0.100 14 0 "[ . 1 . 2]" 1
687 1 42 GLY H 1 66 LEU HA . . 4.180 3.295 2.440 3.830 . 0 0 "[ . 1 . 2]" 1
688 1 42 GLY H 1 66 LEU QD . . 3.670 2.564 1.807 3.282 . 0 0 "[ . 1 . 2]" 1
689 1 42 GLY H 1 67 SER H . . 5.210 4.928 4.032 5.288 0.078 17 0 "[ . 1 . 2]" 1
690 1 42 GLY QA 1 43 ALA H . . 3.530 2.974 2.863 3.034 . 0 0 "[ . 1 . 2]" 1
691 1 42 GLY HA2 1 65 THR MG . . 4.900 4.578 3.333 4.989 0.089 19 0 "[ . 1 . 2]" 1
692 1 42 GLY HA2 1 66 LEU QD . . 5.450 4.711 3.994 5.384 . 0 0 "[ . 1 . 2]" 1
693 1 42 GLY HA3 1 43 ALA MB . . 4.940 4.751 4.555 4.977 0.037 2 0 "[ . 1 . 2]" 1
694 1 42 GLY HA3 1 65 THR MG . . 4.780 3.942 2.976 4.711 . 0 0 "[ . 1 . 2]" 1
695 1 43 ALA H 1 43 ALA MB . . 2.840 2.213 2.147 2.256 . 0 0 "[ . 1 . 2]" 1
696 1 43 ALA H 1 44 THR H . . 3.060 2.771 2.494 3.127 0.067 17 0 "[ . 1 . 2]" 1
697 1 43 ALA H 1 44 THR MG . . 5.350 5.129 4.491 5.456 0.106 12 0 "[ . 1 . 2]" 1
698 1 43 ALA H 1 45 GLY H . . 4.200 3.752 3.440 3.972 . 0 0 "[ . 1 . 2]" 1
699 1 43 ALA MB 1 44 THR H . . 3.270 2.323 2.097 2.801 . 0 0 "[ . 1 . 2]" 1
700 1 43 ALA MB 1 44 THR HA . . 4.320 4.101 3.881 4.350 0.030 4 0 "[ . 1 . 2]" 1
701 1 43 ALA MB 1 44 THR MG . . 3.470 2.955 2.337 3.559 0.089 12 0 "[ . 1 . 2]" 1
702 1 43 ALA MB 1 45 GLY H . . 4.580 4.012 3.776 4.474 . 0 0 "[ . 1 . 2]" 1
703 1 44 THR H 1 44 THR MG . . 3.530 3.264 2.784 3.631 0.101 12 0 "[ . 1 . 2]" 1
704 1 44 THR H 1 45 GLY H . . 2.830 2.033 1.810 2.153 . 0 0 "[ . 1 . 2]" 1
705 1 44 THR H 1 45 GLY HA2 . . 4.230 4.261 4.106 4.305 0.075 20 0 "[ . 1 . 2]" 1
706 1 44 THR H 1 45 GLY HA3 . . 4.740 4.738 4.513 4.810 0.070 14 0 "[ . 1 . 2]" 1
707 1 44 THR HA 1 44 THR MG . . 3.150 2.285 2.008 3.252 0.102 17 0 "[ . 1 . 2]" 1
708 1 44 THR HB 1 46 GLU QG . . 3.460 2.706 2.079 3.470 0.010 14 0 "[ . 1 . 2]" 1
709 1 44 THR MG 1 45 GLY H . . 4.430 4.323 3.178 4.515 0.085 10 0 "[ . 1 . 2]" 1
710 1 44 THR MG 1 46 GLU H . . 5.480 4.706 2.660 5.559 0.079 2 0 "[ . 1 . 2]" 1
711 1 44 THR MG 1 46 GLU QG . . 4.690 3.504 1.865 4.123 . 0 0 "[ . 1 . 2]" 1
712 1 45 GLY H 1 46 GLU H . . 3.330 2.396 2.147 2.676 . 0 0 "[ . 1 . 2]" 1
713 1 46 GLU H 1 46 GLU HB2 . . 3.150 2.510 2.176 3.602 0.452 14 0 "[ . 1 . 2]" 1
714 1 46 GLU H 1 46 GLU QG . . 3.830 2.364 1.919 2.837 . 0 0 "[ . 1 . 2]" 1
715 1 46 GLU H 1 47 SER H . . 4.510 4.546 4.433 4.601 0.091 1 0 "[ . 1 . 2]" 1
716 1 46 GLU HA 1 46 GLU QG . . 3.750 2.615 2.232 3.391 . 0 0 "[ . 1 . 2]" 1
717 1 46 GLU HA 1 47 SER H . . 2.640 2.258 2.157 2.550 . 0 0 "[ . 1 . 2]" 1
718 1 46 GLU HA 1 48 LEU MD2 . . 5.440 4.557 4.076 5.071 . 0 0 "[ . 1 . 2]" 1
719 1 46 GLU HB2 1 48 LEU MD2 . . 4.230 2.865 2.439 3.622 . 0 0 "[ . 1 . 2]" 1
720 1 46 GLU HB3 1 47 SER H . . 3.450 3.309 2.417 3.862 0.412 14 0 "[ . 1 . 2]" 1
721 1 46 GLU QG 1 48 LEU MD2 . . 4.450 3.972 2.118 4.316 . 0 0 "[ . 1 . 2]" 1
722 1 47 SER H 1 47 SER HB2 . . 3.120 2.986 2.403 3.668 0.548 9 1 "[ . +1 . 2]" 1
723 1 47 SER H 1 48 LEU H . . 4.750 4.429 4.111 4.667 . 0 0 "[ . 1 . 2]" 1
724 1 47 SER H 1 48 LEU MD2 . . 4.990 4.204 3.606 4.733 . 0 0 "[ . 1 . 2]" 1
725 1 47 SER HA 1 48 LEU H . . 2.790 2.161 1.955 2.358 . 0 0 "[ . 1 . 2]" 1
726 1 47 SER HA 1 48 LEU MD2 . . 4.290 4.218 3.889 4.389 0.099 1 0 "[ . 1 . 2]" 1
727 1 47 SER HA 1 48 LEU HG . . 3.920 3.646 3.202 3.977 0.057 3 0 "[ . 1 . 2]" 1
728 1 47 SER HB2 1 48 LEU H . . 3.970 3.817 3.197 4.070 0.100 14 0 "[ . 1 . 2]" 1
729 1 47 SER HB2 1 69 THR MG . . 4.640 3.842 2.386 4.722 0.082 10 0 "[ . 1 . 2]" 1
730 1 47 SER HB3 1 48 LEU H . . 3.850 3.687 3.022 4.041 0.191 12 0 "[ . 1 . 2]" 1
731 1 47 SER HB3 1 69 THR MG . . 3.970 2.907 2.211 4.680 0.710 4 1 "[ +. 1 . 2]" 1
732 1 48 LEU H 1 48 LEU QB . . 3.400 2.623 2.494 2.998 . 0 0 "[ . 1 . 2]" 1
733 1 48 LEU H 1 48 LEU MD1 . . 3.840 3.919 3.760 3.950 0.110 11 0 "[ . 1 . 2]" 1
734 1 48 LEU H 1 48 LEU MD2 . . 3.870 3.549 3.239 3.809 . 0 0 "[ . 1 . 2]" 1
735 1 48 LEU H 1 48 LEU HG . . 3.110 2.700 2.438 2.912 . 0 0 "[ . 1 . 2]" 1
736 1 48 LEU H 1 49 ALA H . . 4.710 4.446 4.329 4.636 . 0 0 "[ . 1 . 2]" 1
737 1 48 LEU HA 1 48 LEU QB . . 2.640 2.315 2.213 2.353 . 0 0 "[ . 1 . 2]" 1
738 1 48 LEU HA 1 48 LEU MD1 . . 4.250 3.876 3.791 3.987 . 0 0 "[ . 1 . 2]" 1
739 1 48 LEU HA 1 48 LEU MD2 . . 2.820 2.246 2.169 2.371 . 0 0 "[ . 1 . 2]" 1
740 1 48 LEU HA 1 48 LEU HG . . 3.840 3.310 3.189 3.465 . 0 0 "[ . 1 . 2]" 1
741 1 48 LEU HA 1 49 ALA H . . 2.750 2.340 1.991 2.748 . 0 0 "[ . 1 . 2]" 1
742 1 48 LEU HA 1 49 ALA MB . . 3.840 3.832 3.599 3.939 0.099 20 0 "[ . 1 . 2]" 1
743 1 48 LEU QB 1 48 LEU MD1 . . 2.610 2.053 2.015 2.103 . 0 0 "[ . 1 . 2]" 1
744 1 48 LEU QB 1 49 ALA H . . 3.300 2.527 1.956 3.078 . 0 0 "[ . 1 . 2]" 1
745 1 48 LEU MD1 1 49 ALA H . . 4.810 4.487 3.891 4.910 0.100 4 0 "[ . 1 . 2]" 1
746 1 48 LEU MD2 1 49 ALA H . . 3.670 3.738 3.511 3.787 0.117 7 0 "[ . 1 . 2]" 1
747 1 49 ALA H 1 49 ALA MB . . 2.750 2.344 2.129 2.627 . 0 0 "[ . 1 . 2]" 1
748 1 49 ALA H 1 50 SER H . . 3.980 4.000 3.669 4.066 0.086 7 0 "[ . 1 . 2]" 1
749 1 49 ALA H 1 52 VAL MG2 . . 5.210 4.149 3.026 5.051 . 0 0 "[ . 1 . 2]" 1
750 1 49 ALA HA 1 50 SER H . . 2.790 2.285 2.071 2.607 . 0 0 "[ . 1 . 2]" 1
751 1 49 ALA MB 1 50 SER H . . 3.730 3.583 3.339 3.797 0.067 16 0 "[ . 1 . 2]" 1
752 1 50 SER H 1 50 SER HB2 . . 3.300 2.895 2.125 3.512 0.212 4 0 "[ . 1 . 2]" 1
753 1 50 SER H 1 50 SER HB3 . . 3.420 2.913 2.075 3.500 0.080 16 0 "[ . 1 . 2]" 1
754 1 50 SER H 1 51 PRO HA . . 4.900 4.813 4.659 4.952 0.052 11 0 "[ . 1 . 2]" 1
755 1 50 SER HA 1 51 PRO HA . . 2.980 2.503 2.327 2.769 . 0 0 "[ . 1 . 2]" 1
756 1 50 SER HA 1 52 VAL H . . 4.030 3.203 2.740 3.737 . 0 0 "[ . 1 . 2]" 1
757 1 50 SER HA 1 52 VAL MG2 . . 4.260 3.560 1.974 4.737 0.477 3 0 "[ . 1 . 2]" 1
758 1 50 SER HB2 1 51 PRO HA . . 4.340 2.990 2.084 3.977 . 0 0 "[ . 1 . 2]" 1
759 1 50 SER HB3 1 51 PRO HA . . 4.380 2.927 2.108 3.965 . 0 0 "[ . 1 . 2]" 1
760 1 51 PRO HA 1 52 VAL H . . 2.930 2.330 2.175 2.545 . 0 0 "[ . 1 . 2]" 1
761 1 51 PRO HA 1 52 VAL HB . . 4.770 4.290 4.058 4.813 0.043 20 0 "[ . 1 . 2]" 1
762 1 51 PRO HB2 1 52 VAL H . . 4.330 3.142 2.597 3.458 . 0 0 "[ . 1 . 2]" 1
763 1 51 PRO HB3 1 52 VAL H . . 3.710 3.880 3.688 4.084 0.374 7 0 "[ . 1 . 2]" 1
764 1 51 PRO HG2 1 52 VAL H . . 4.810 4.688 4.196 4.880 0.070 11 0 "[ . 1 . 2]" 1
765 1 51 PRO HG2 1 52 VAL HA . . 5.210 4.856 4.352 5.135 . 0 0 "[ . 1 . 2]" 1
766 1 52 VAL H 1 52 VAL HB . . 3.140 3.033 2.469 3.229 0.089 15 0 "[ . 1 . 2]" 1
767 1 52 VAL H 1 52 VAL MG2 . . 3.520 3.687 2.688 4.045 0.525 17 2 "[ - . 1 . + 2]" 1
768 1 52 VAL H 1 53 ILE H . . 4.710 4.377 4.267 4.482 . 0 0 "[ . 1 . 2]" 1
769 1 52 VAL HA 1 52 VAL MG1 . . 3.410 3.012 2.360 3.259 . 0 0 "[ . 1 . 2]" 1
770 1 52 VAL HA 1 52 VAL MG2 . . 3.150 2.370 2.248 2.496 . 0 0 "[ . 1 . 2]" 1
771 1 52 VAL HA 1 53 ILE H . . 2.630 2.311 2.201 2.462 . 0 0 "[ . 1 . 2]" 1
772 1 52 VAL HA 1 53 ILE HB . . 4.580 4.540 4.190 4.651 0.071 8 0 "[ . 1 . 2]" 1
773 1 52 VAL HA 1 53 ILE MD . . 3.760 3.831 3.619 3.867 0.107 1 0 "[ . 1 . 2]" 1
774 1 52 VAL MG1 1 53 ILE H . . 3.750 3.096 1.983 3.786 0.036 8 0 "[ . 1 . 2]" 1
775 1 52 VAL MG1 1 53 ILE HA . . 3.920 3.946 3.610 4.213 0.293 2 0 "[ . 1 . 2]" 1
776 1 52 VAL MG1 1 54 LEU H . . 4.280 4.120 2.882 4.641 0.361 7 0 "[ . 1 . 2]" 1
777 1 52 VAL MG2 1 53 ILE H . . 3.830 2.706 1.928 3.932 0.102 20 0 "[ . 1 . 2]" 1
778 1 53 ILE H 1 53 ILE HB . . 3.120 2.605 2.447 2.741 . 0 0 "[ . 1 . 2]" 1
779 1 53 ILE H 1 53 ILE MD . . 3.660 3.504 3.367 3.717 0.057 12 0 "[ . 1 . 2]" 1
780 1 53 ILE H 1 53 ILE HG12 . . 3.700 2.838 2.636 2.958 . 0 0 "[ . 1 . 2]" 1
781 1 53 ILE H 1 53 ILE HG13 . . 4.160 4.170 4.017 4.234 0.074 11 0 "[ . 1 . 2]" 1
782 1 53 ILE H 1 53 ILE MG . . 3.930 3.848 3.760 3.900 . 0 0 "[ . 1 . 2]" 1
783 1 53 ILE H 1 54 LEU H . . 4.830 4.160 3.662 4.378 . 0 0 "[ . 1 . 2]" 1
784 1 53 ILE H 1 54 LEU QD . . 4.950 4.192 3.223 4.894 . 0 0 "[ . 1 . 2]" 1
785 1 53 ILE HA 1 53 ILE MD . . 3.960 2.310 2.106 2.470 . 0 0 "[ . 1 . 2]" 1
786 1 53 ILE HA 1 53 ILE HG12 . . 3.700 3.392 3.296 3.496 . 0 0 "[ . 1 . 2]" 1
787 1 53 ILE HA 1 53 ILE HG13 . . 3.760 3.797 3.712 3.841 0.081 3 0 "[ . 1 . 2]" 1
788 1 53 ILE HA 1 53 ILE MG . . 3.150 2.389 2.248 2.523 . 0 0 "[ . 1 . 2]" 1
789 1 53 ILE HA 1 54 LEU H . . 2.830 2.164 2.036 2.276 . 0 0 "[ . 1 . 2]" 1
790 1 53 ILE HB 1 54 LEU H . . 4.520 4.229 3.883 4.468 . 0 0 "[ . 1 . 2]" 1
791 1 53 ILE MD 1 54 LEU H . . 4.710 4.007 3.671 4.315 . 0 0 "[ . 1 . 2]" 1
792 1 53 ILE HG13 1 53 ILE MG . . 3.560 2.257 2.191 2.310 . 0 0 "[ . 1 . 2]" 1
793 1 53 ILE MG 1 54 LEU H . . 3.520 2.950 2.419 3.589 0.069 13 0 "[ . 1 . 2]" 1
794 1 53 ILE MG 1 55 SER H . . 5.080 4.446 3.302 5.144 0.064 14 0 "[ . 1 . 2]" 1
795 1 53 ILE MG 1 55 SER HB3 . . 5.410 4.845 3.986 5.508 0.098 8 0 "[ . 1 . 2]" 1
796 1 54 LEU H 1 54 LEU HB2 . . 3.740 2.439 2.064 2.697 . 0 0 "[ . 1 . 2]" 1
797 1 54 LEU H 1 54 LEU HB3 . . 4.160 3.612 3.242 3.799 . 0 0 "[ . 1 . 2]" 1
798 1 54 LEU H 1 54 LEU QD . . 4.170 3.002 2.222 3.531 . 0 0 "[ . 1 . 2]" 1
799 1 54 LEU H 1 54 LEU HG . . 4.770 3.573 2.555 4.819 0.049 20 0 "[ . 1 . 2]" 1
800 1 54 LEU H 1 55 SER H . . 4.850 4.432 4.098 4.594 . 0 0 "[ . 1 . 2]" 1
801 1 54 LEU HA 1 54 LEU QD . . 3.040 2.079 2.002 2.168 . 0 0 "[ . 1 . 2]" 1
802 1 54 LEU HA 1 54 LEU HG . . 3.970 3.402 2.966 3.813 . 0 0 "[ . 1 . 2]" 1
803 1 54 LEU HA 1 55 SER H . . 2.790 2.163 2.066 2.350 . 0 0 "[ . 1 . 2]" 1
804 1 54 LEU HA 1 58 GLU H . . 5.210 5.133 4.405 5.298 0.088 12 0 "[ . 1 . 2]" 1
805 1 54 LEU HA 1 58 GLU HB2 . . 4.590 3.582 2.578 4.678 0.088 14 0 "[ . 1 . 2]" 1
806 1 54 LEU HA 1 58 GLU HB3 . . 5.080 4.178 3.421 4.739 . 0 0 "[ . 1 . 2]" 1
807 1 54 LEU HA 1 58 GLU QG . . 4.530 2.676 1.992 4.071 . 0 0 "[ . 1 . 2]" 1
808 1 54 LEU HB2 1 55 SER H . . 4.520 4.131 3.479 4.590 0.070 17 0 "[ . 1 . 2]" 1
809 1 54 LEU HB3 1 55 SER H . . 4.260 3.115 2.358 3.915 . 0 0 "[ . 1 . 2]" 1
810 1 54 LEU HB3 1 58 GLU H . . 5.110 4.726 4.178 5.171 0.061 17 0 "[ . 1 . 2]" 1
811 1 54 LEU HB3 1 58 GLU HB2 . . 4.560 2.634 2.100 4.234 . 0 0 "[ . 1 . 2]" 1
812 1 54 LEU HB3 1 58 GLU HB3 . . 4.330 3.711 3.107 4.378 0.048 20 0 "[ . 1 . 2]" 1
813 1 54 LEU HB3 1 58 GLU QG . . 5.400 3.239 2.141 4.526 . 0 0 "[ . 1 . 2]" 1
814 1 54 LEU QD 1 55 SER H . . 3.810 3.375 2.862 3.797 . 0 0 "[ . 1 . 2]" 1
815 1 54 LEU QD 1 58 GLU H . . 4.920 4.560 4.159 4.876 . 0 0 "[ . 1 . 2]" 1
816 1 54 LEU QD 1 58 GLU HA . . 4.680 4.247 3.888 4.689 0.009 9 0 "[ . 1 . 2]" 1
817 1 54 LEU QD 1 58 GLU HB2 . . 4.180 2.558 2.166 3.107 . 0 0 "[ . 1 . 2]" 1
818 1 54 LEU QD 1 58 GLU HB3 . . 4.020 2.374 2.044 3.112 . 0 0 "[ . 1 . 2]" 1
819 1 54 LEU QD 1 58 GLU QG . . 3.680 2.448 2.034 3.385 . 0 0 "[ . 1 . 2]" 1
820 1 55 SER H 1 55 SER HB3 . . 4.040 3.508 3.033 3.827 . 0 0 "[ . 1 . 2]" 1
821 1 55 SER H 1 56 ASP H . . 4.950 4.412 4.125 4.578 . 0 0 "[ . 1 . 2]" 1
822 1 55 SER H 1 57 GLU H . . 4.780 4.647 4.190 4.859 0.079 8 0 "[ . 1 . 2]" 1
823 1 55 SER H 1 58 GLU H . . 4.000 3.567 3.224 3.833 . 0 0 "[ . 1 . 2]" 1
824 1 55 SER H 1 58 GLU HB2 . . 4.350 3.207 2.113 4.098 . 0 0 "[ . 1 . 2]" 1
825 1 55 SER H 1 58 GLU HB3 . . 4.470 4.129 3.218 4.527 0.057 9 0 "[ . 1 . 2]" 1
826 1 55 SER H 1 58 GLU QG . . 4.680 2.017 1.621 2.856 . 0 0 "[ . 1 . 2]" 1
827 1 55 SER H 1 59 LEU H . . 4.820 4.731 4.244 4.901 0.081 17 0 "[ . 1 . 2]" 1
828 1 55 SER HA 1 56 ASP H . . 3.020 2.602 2.327 3.057 0.037 11 0 "[ . 1 . 2]" 1
829 1 55 SER HA 1 57 GLU H . . 4.960 4.550 4.082 4.871 . 0 0 "[ . 1 . 2]" 1
830 1 55 SER HA 1 58 GLU H . . 5.380 4.891 4.647 5.308 . 0 0 "[ . 1 . 2]" 1
831 1 55 SER HB2 1 56 ASP H . . 3.070 2.831 1.879 3.436 0.366 1 0 "[ . 1 . 2]" 1
832 1 55 SER HB3 1 56 ASP H . . 3.380 2.603 2.094 3.440 0.060 12 0 "[ . 1 . 2]" 1
833 1 56 ASP H 1 56 ASP HB2 . . 3.110 2.467 2.188 3.026 . 0 0 "[ . 1 . 2]" 1
834 1 56 ASP H 1 56 ASP HB3 . . 3.170 2.453 2.167 2.843 . 0 0 "[ . 1 . 2]" 1
835 1 56 ASP H 1 59 LEU H . . 4.970 4.999 4.749 5.061 0.091 14 0 "[ . 1 . 2]" 1
836 1 56 ASP HA 1 58 GLU H . . 5.240 4.286 3.854 4.569 . 0 0 "[ . 1 . 2]" 1
837 1 56 ASP HA 1 59 LEU H . . 3.630 3.541 3.225 3.698 0.068 9 0 "[ . 1 . 2]" 1
838 1 56 ASP HA 1 59 LEU HB2 . . 3.490 2.839 2.435 3.536 0.046 14 0 "[ . 1 . 2]" 1
839 1 56 ASP HA 1 59 LEU HB3 . . 4.200 4.157 3.735 4.279 0.079 4 0 "[ . 1 . 2]" 1
840 1 56 ASP HA 1 59 LEU QD . . 4.770 3.817 2.965 4.462 . 0 0 "[ . 1 . 2]" 1
841 1 57 GLU H 1 57 GLU HB2 . . 2.960 2.301 2.091 2.416 . 0 0 "[ . 1 . 2]" 1
842 1 57 GLU H 1 57 GLU HB3 . . 3.540 3.537 3.412 3.599 0.059 8 0 "[ . 1 . 2]" 1
843 1 57 GLU H 1 57 GLU QG . . 3.420 2.572 2.253 3.043 . 0 0 "[ . 1 . 2]" 1
844 1 57 GLU H 1 58 GLU H . . 3.210 2.608 2.508 2.786 . 0 0 "[ . 1 . 2]" 1
845 1 57 GLU H 1 58 GLU QG . . 3.720 3.687 3.445 3.737 0.017 17 0 "[ . 1 . 2]" 1
846 1 57 GLU H 1 59 LEU H . . 4.480 4.038 3.784 4.257 . 0 0 "[ . 1 . 2]" 1
847 1 57 GLU H 1 60 ALA MB . . 5.500 4.923 4.455 5.588 0.088 8 0 "[ . 1 . 2]" 1
848 1 57 GLU HA 1 57 GLU HB3 . . 2.870 2.586 2.503 2.725 . 0 0 "[ . 1 . 2]" 1
849 1 57 GLU HA 1 57 GLU QG . . 3.310 2.483 2.161 2.829 . 0 0 "[ . 1 . 2]" 1
850 1 57 GLU HA 1 58 GLU HA . . 4.730 4.760 4.667 4.801 0.071 11 0 "[ . 1 . 2]" 1
851 1 57 GLU HA 1 60 ALA H . . 4.670 4.027 3.422 4.566 . 0 0 "[ . 1 . 2]" 1
852 1 57 GLU HA 1 60 ALA MB . . 3.810 2.805 2.163 3.359 . 0 0 "[ . 1 . 2]" 1
853 1 57 GLU HB2 1 58 GLU H . . 3.490 2.814 2.447 3.067 . 0 0 "[ . 1 . 2]" 1
854 1 57 GLU HB2 1 58 GLU HA . . 5.050 4.499 4.227 4.792 . 0 0 "[ . 1 . 2]" 1
855 1 57 GLU HB3 1 57 GLU QG . . 2.790 2.415 2.162 2.576 . 0 0 "[ . 1 . 2]" 1
856 1 57 GLU HB3 1 58 GLU H . . 3.600 3.602 3.337 3.689 0.089 5 0 "[ . 1 . 2]" 1
857 1 57 GLU HB3 1 58 GLU HA . . 4.740 4.240 3.892 4.495 . 0 0 "[ . 1 . 2]" 1
858 1 57 GLU QG 1 60 ALA MB . . 5.500 4.538 3.560 5.320 . 0 0 "[ . 1 . 2]" 1
859 1 58 GLU H 1 58 GLU HB2 . . 3.120 2.779 2.423 3.218 0.098 11 0 "[ . 1 . 2]" 1
860 1 58 GLU H 1 58 GLU HB3 . . 3.660 3.430 2.048 3.668 0.008 6 0 "[ . 1 . 2]" 1
861 1 58 GLU H 1 58 GLU QG . . 3.910 1.982 1.782 2.378 . 0 0 "[ . 1 . 2]" 1
862 1 58 GLU H 1 60 ALA H . . 5.080 4.195 3.725 4.736 . 0 0 "[ . 1 . 2]" 1
863 1 58 GLU H 1 60 ALA MB . . 5.500 4.686 4.225 5.021 . 0 0 "[ . 1 . 2]" 1
864 1 58 GLU HA 1 58 GLU QG . . 3.640 3.199 2.591 3.484 . 0 0 "[ . 1 . 2]" 1
865 1 58 GLU HA 1 60 ALA H . . 4.560 3.825 3.527 4.352 . 0 0 "[ . 1 . 2]" 1
866 1 58 GLU HA 1 60 ALA MB . . 4.810 4.507 4.111 4.911 0.101 6 0 "[ . 1 . 2]" 1
867 1 58 GLU HB2 1 59 LEU H . . 3.820 2.956 2.312 3.906 0.086 14 0 "[ . 1 . 2]" 1
868 1 58 GLU HB2 1 59 LEU HA . . 5.050 4.347 3.931 4.955 . 0 0 "[ . 1 . 2]" 1
869 1 59 LEU H 1 59 LEU HB2 . . 3.400 2.206 1.881 2.448 . 0 0 "[ . 1 . 2]" 1
870 1 59 LEU H 1 59 LEU HB3 . . 3.790 3.476 3.051 3.646 . 0 0 "[ . 1 . 2]" 1
871 1 59 LEU H 1 59 LEU QD . . 4.000 3.074 2.505 3.712 . 0 0 "[ . 1 . 2]" 1
872 1 59 LEU H 1 59 LEU HG . . 3.870 3.398 2.426 3.962 0.092 8 0 "[ . 1 . 2]" 1
873 1 59 LEU H 1 60 ALA H . . 3.500 2.761 2.264 3.188 . 0 0 "[ . 1 . 2]" 1
874 1 59 LEU H 1 60 ALA MB . . 4.430 4.089 3.726 4.501 0.071 8 0 "[ . 1 . 2]" 1
875 1 59 LEU H 1 61 VAL H . . 5.400 5.085 4.447 5.454 0.054 19 0 "[ . 1 . 2]" 1
876 1 59 LEU HA 1 59 LEU QD . . 3.110 2.142 1.948 2.409 . 0 0 "[ . 1 . 2]" 1
877 1 59 LEU HA 1 59 LEU HG . . 4.010 3.094 2.375 3.748 . 0 0 "[ . 1 . 2]" 1
878 1 59 LEU HA 1 61 VAL H . . 4.250 3.327 2.930 3.745 . 0 0 "[ . 1 . 2]" 1
879 1 59 LEU HB2 1 59 LEU QD . . 3.190 2.315 2.179 2.523 . 0 0 "[ . 1 . 2]" 1
880 1 59 LEU HB3 1 60 ALA H . . 5.320 4.314 4.098 4.520 . 0 0 "[ . 1 . 2]" 1
881 1 60 ALA H 1 60 ALA MB . . 2.810 2.205 2.133 2.303 . 0 0 "[ . 1 . 2]" 1
882 1 60 ALA H 1 61 VAL H . . 3.340 3.100 2.489 3.409 0.069 20 0 "[ . 1 . 2]" 1
883 1 60 ALA H 1 61 VAL MG1 . . 4.490 3.799 3.376 4.299 . 0 0 "[ . 1 . 2]" 1
884 1 60 ALA H 1 61 VAL MG2 . . 4.200 3.645 2.846 4.306 0.106 11 0 "[ . 1 . 2]" 1
885 1 60 ALA HA 1 61 VAL H . . 3.560 3.043 2.671 3.424 . 0 0 "[ . 1 . 2]" 1
886 1 60 ALA MB 1 61 VAL H . . 3.620 3.568 3.131 3.707 0.087 18 0 "[ . 1 . 2]" 1
887 1 60 ALA MB 1 61 VAL MG1 . . 4.210 3.404 2.816 4.233 0.023 13 0 "[ . 1 . 2]" 1
888 1 61 VAL H 1 61 VAL HB . . 4.020 3.711 3.553 3.940 . 0 0 "[ . 1 . 2]" 1
889 1 61 VAL H 1 61 VAL MG1 . . 3.390 2.940 2.353 3.398 0.008 17 0 "[ . 1 . 2]" 1
890 1 61 VAL H 1 61 VAL MG2 . . 2.790 2.128 1.889 2.601 . 0 0 "[ . 1 . 2]" 1
891 1 61 VAL H 1 62 GLU H . . 5.010 4.487 4.318 4.632 . 0 0 "[ . 1 . 2]" 1
892 1 61 VAL HA 1 61 VAL HB . . 2.890 2.509 2.373 2.633 . 0 0 "[ . 1 . 2]" 1
893 1 61 VAL HA 1 61 VAL MG1 . . 2.990 2.327 2.227 2.499 . 0 0 "[ . 1 . 2]" 1
894 1 61 VAL HA 1 61 VAL MG2 . . 3.420 3.263 3.219 3.292 . 0 0 "[ . 1 . 2]" 1
895 1 61 VAL HA 1 62 GLU H . . 2.830 2.443 2.260 2.830 . 11 0 "[ . 1 . 2]" 1
896 1 61 VAL HA 1 62 GLU HA . . 4.950 4.407 4.301 4.641 . 0 0 "[ . 1 . 2]" 1
897 1 61 VAL HA 1 62 GLU HG2 . . 4.630 4.342 4.016 4.697 0.067 5 0 "[ . 1 . 2]" 1
898 1 61 VAL HA 1 63 LYS H . . 4.550 4.305 4.019 4.578 0.028 11 0 "[ . 1 . 2]" 1
899 1 61 VAL HB 1 62 GLU H . . 3.060 2.457 1.955 2.913 . 0 0 "[ . 1 . 2]" 1
900 1 61 VAL HB 1 63 LYS H . . 3.600 2.705 2.501 3.280 . 0 0 "[ . 1 . 2]" 1
901 1 61 VAL MG1 1 62 GLU H . . 3.820 3.614 3.343 3.856 0.036 16 0 "[ . 1 . 2]" 1
902 1 61 VAL MG1 1 63 LYS H . . 4.180 4.255 4.170 4.287 0.107 8 0 "[ . 1 . 2]" 1
903 1 61 VAL MG1 1 64 VAL HA . . 5.450 5.380 4.746 5.554 0.104 11 0 "[ . 1 . 2]" 1
904 1 61 VAL MG2 1 62 GLU H . . 3.800 3.580 2.707 3.890 0.090 2 0 "[ . 1 . 2]" 1
905 1 61 VAL MG2 1 62 GLU HA . . 5.110 4.512 3.874 4.971 . 0 0 "[ . 1 . 2]" 1
906 1 61 VAL MG2 1 63 LYS H . . 3.390 2.795 1.795 3.419 0.029 10 0 "[ . 1 . 2]" 1
907 1 61 VAL MG2 1 63 LYS HA . . 5.150 4.012 3.473 4.994 . 0 0 "[ . 1 . 2]" 1
908 1 61 VAL MG2 1 64 VAL HA . . 4.210 3.763 3.283 4.320 0.110 8 0 "[ . 1 . 2]" 1
909 1 62 GLU H 1 62 GLU QB . . 3.100 2.577 2.299 2.977 . 0 0 "[ . 1 . 2]" 1
910 1 62 GLU H 1 62 GLU HG2 . . 3.600 2.122 1.892 2.446 . 0 0 "[ . 1 . 2]" 1
911 1 62 GLU H 1 62 GLU HG3 . . 3.690 3.086 2.151 3.694 0.004 3 0 "[ . 1 . 2]" 1
912 1 62 GLU H 1 63 LYS H . . 3.290 2.637 2.088 2.998 . 0 0 "[ . 1 . 2]" 1
913 1 62 GLU HA 1 62 GLU HG2 . . 3.780 3.779 3.690 3.868 0.088 6 0 "[ . 1 . 2]" 1
914 1 62 GLU HA 1 62 GLU HG3 . . 3.660 3.721 3.627 3.745 0.085 18 0 "[ . 1 . 2]" 1
915 1 62 GLU QB 1 63 LYS H . . 3.610 3.630 3.357 3.704 0.094 12 0 "[ . 1 . 2]" 1
916 1 62 GLU QB 1 63 LYS HB2 . . 4.820 3.870 3.164 4.610 . 0 0 "[ . 1 . 2]" 1
917 1 62 GLU HG2 1 63 LYS H . . 4.390 2.982 2.392 3.650 . 0 0 "[ . 1 . 2]" 1
918 1 62 GLU HG2 1 63 LYS HB2 . . 4.880 4.462 2.597 5.748 0.868 6 1 "[ .+ 1 . 2]" 1
919 1 62 GLU HG3 1 63 LYS H . . 4.460 2.602 1.961 3.343 . 0 0 "[ . 1 . 2]" 1
920 1 62 GLU HG3 1 63 LYS HB2 . . 4.680 2.950 2.348 4.467 . 0 0 "[ . 1 . 2]" 1
921 1 63 LYS H 1 63 LYS HB2 . . 3.170 3.283 2.688 3.658 0.488 14 0 "[ . 1 . 2]" 1
922 1 63 LYS H 1 63 LYS QD . . 4.790 4.589 3.981 4.892 0.102 20 0 "[ . 1 . 2]" 1
923 1 63 LYS H 1 63 LYS QG . . 4.770 4.240 3.957 4.426 . 0 0 "[ . 1 . 2]" 1
924 1 63 LYS H 1 64 VAL H . . 4.790 4.247 3.808 4.391 . 0 0 "[ . 1 . 2]" 1
925 1 63 LYS HA 1 63 LYS QD . . 4.370 3.554 2.370 4.144 . 0 0 "[ . 1 . 2]" 1
926 1 63 LYS HA 1 63 LYS QG . . 3.460 2.535 2.194 3.154 . 0 0 "[ . 1 . 2]" 1
927 1 63 LYS HA 1 64 VAL H . . 2.790 2.296 2.149 2.415 . 0 0 "[ . 1 . 2]" 1
928 1 63 LYS HA 1 64 VAL HA . . 4.370 4.438 4.417 4.450 0.080 7 0 "[ . 1 . 2]" 1
929 1 63 LYS HA 1 64 VAL QG . . 4.870 3.746 3.310 4.197 . 0 0 "[ . 1 . 2]" 1
930 1 63 LYS HB2 1 63 LYS QE . . 4.720 4.175 3.630 4.581 . 0 0 "[ . 1 . 2]" 1
931 1 63 LYS QG 1 64 VAL H . . 3.700 2.869 2.263 3.789 0.089 3 0 "[ . 1 . 2]" 1
932 1 64 VAL H 1 64 VAL HB . . 3.300 3.083 2.785 3.389 0.089 13 0 "[ . 1 . 2]" 1
933 1 64 VAL H 1 64 VAL QG . . 4.040 2.757 2.543 3.191 . 0 0 "[ . 1 . 2]" 1
934 1 64 VAL HA 1 64 VAL QG . . 3.150 2.164 2.039 2.300 . 0 0 "[ . 1 . 2]" 1
935 1 64 VAL HA 1 65 THR H . . 2.600 2.329 2.077 2.587 . 0 0 "[ . 1 . 2]" 1
936 1 64 VAL HA 1 65 THR HB . . 4.670 4.561 4.295 4.730 0.060 6 0 "[ . 1 . 2]" 1
937 1 64 VAL HB 1 65 THR H . . 4.570 3.829 3.169 4.487 . 0 0 "[ . 1 . 2]" 1
938 1 64 VAL QG 1 65 THR H . . 3.300 2.367 1.784 3.399 0.099 3 0 "[ . 1 . 2]" 1
939 1 64 VAL QG 1 65 THR HB . . 5.220 4.336 3.783 5.053 . 0 0 "[ . 1 . 2]" 1
940 1 65 THR H 1 65 THR HB . . 3.090 2.675 2.313 3.073 . 0 0 "[ . 1 . 2]" 1
941 1 65 THR H 1 65 THR MG . . 4.460 3.779 2.383 3.992 . 0 0 "[ . 1 . 2]" 1
942 1 65 THR HA 1 65 THR MG . . 3.170 2.413 2.223 3.188 0.018 16 0 "[ . 1 . 2]" 1
943 1 65 THR HA 1 66 LEU H . . 2.780 2.279 2.185 2.368 . 0 0 "[ . 1 . 2]" 1
944 1 65 THR HA 1 66 LEU QD . . 5.230 3.770 2.830 4.559 . 0 0 "[ . 1 . 2]" 1
945 1 65 THR HB 1 66 LEU H . . 4.430 4.203 3.958 4.441 0.011 18 0 "[ . 1 . 2]" 1
946 1 65 THR MG 1 66 LEU H . . 3.220 2.837 2.463 3.286 0.066 18 0 "[ . 1 . 2]" 1
947 1 65 THR MG 1 66 LEU HA . . 4.140 3.873 3.506 4.221 0.081 15 0 "[ . 1 . 2]" 1
948 1 65 THR MG 1 67 SER H . . 5.300 4.707 4.139 5.198 . 0 0 "[ . 1 . 2]" 1
949 1 65 THR MG 1 67 SER QB . . 5.000 3.643 2.932 4.519 . 0 0 "[ . 1 . 2]" 1
950 1 66 LEU H 1 66 LEU HB2 . . 3.580 2.662 2.467 2.968 . 0 0 "[ . 1 . 2]" 1
951 1 66 LEU H 1 66 LEU QD . . 4.350 3.178 2.720 3.733 . 0 0 "[ . 1 . 2]" 1
952 1 66 LEU H 1 66 LEU HG . . 5.060 4.152 3.110 4.811 . 0 0 "[ . 1 . 2]" 1
953 1 66 LEU H 1 67 SER H . . 5.500 4.338 4.211 4.441 . 0 0 "[ . 1 . 2]" 1
954 1 66 LEU HA 1 66 LEU QD . . 3.090 2.219 1.987 2.960 . 0 0 "[ . 1 . 2]" 1
955 1 66 LEU HA 1 66 LEU HG . . 3.710 3.269 2.221 3.767 0.057 5 0 "[ . 1 . 2]" 1
956 1 66 LEU HA 1 67 SER H . . 2.770 2.209 2.078 2.406 . 0 0 "[ . 1 . 2]" 1
957 1 66 LEU HB2 1 67 SER H . . 4.120 4.050 3.598 4.211 0.091 17 0 "[ . 1 . 2]" 1
958 1 66 LEU HB3 1 66 LEU QD . . 3.140 2.267 2.074 2.457 . 0 0 "[ . 1 . 2]" 1
959 1 66 LEU HB3 1 67 SER H . . 3.670 2.913 2.370 3.180 . 0 0 "[ . 1 . 2]" 1
960 1 66 LEU QD 1 67 SER H . . 3.710 3.269 2.879 3.642 . 0 0 "[ . 1 . 2]" 1
961 1 66 LEU HG 1 67 SER H . . 5.040 4.803 3.910 5.095 0.055 6 0 "[ . 1 . 2]" 1
962 1 67 SER H 1 67 SER QB . . 3.690 2.863 2.641 3.197 . 0 0 "[ . 1 . 2]" 1
963 1 67 SER HA 1 68 THR H . . 2.920 2.532 2.279 2.719 . 0 0 "[ . 1 . 2]" 1
964 1 67 SER HA 1 68 THR MG . . 4.240 3.807 3.430 4.040 . 0 0 "[ . 1 . 2]" 1
965 1 67 SER QB 1 68 THR H . . 3.720 2.895 2.148 3.401 . 0 0 "[ . 1 . 2]" 1
966 1 68 THR H 1 68 THR MG . . 3.280 2.922 2.430 3.329 0.049 7 0 "[ . 1 . 2]" 1
967 1 68 THR HA 1 68 THR MG . . 3.570 2.234 2.125 2.466 . 0 0 "[ . 1 . 2]" 1
968 1 68 THR HA 1 69 THR H . . 2.890 2.289 2.136 2.430 . 0 0 "[ . 1 . 2]" 1
969 1 68 THR HA 1 69 THR MG . . 4.240 3.734 3.410 4.000 . 0 0 "[ . 1 . 2]" 1
970 1 68 THR HA 1 70 GLY H . . 4.150 3.929 3.736 4.231 0.081 17 0 "[ . 1 . 2]" 1
971 1 68 THR HB 1 69 THR H . . 4.870 2.952 2.558 3.365 . 0 0 "[ . 1 . 2]" 1
972 1 68 THR HB 1 69 THR HA . . 4.580 4.655 4.588 4.671 0.091 15 0 "[ . 1 . 2]" 1
973 1 68 THR HB 1 70 GLY H . . 3.350 2.454 2.076 3.383 0.033 17 0 "[ . 1 . 2]" 1
974 1 68 THR MG 1 69 THR H . . 4.350 3.571 3.258 4.137 . 0 0 "[ . 1 . 2]" 1
975 1 68 THR MG 1 70 GLY H . . 4.700 4.008 3.750 4.691 . 0 0 "[ . 1 . 2]" 1
976 1 68 THR MG 1 72 ALA MB . . 3.350 2.086 1.963 2.265 . 0 0 "[ . 1 . 2]" 1
977 1 69 THR H 1 69 THR HB . . 4.140 3.595 3.492 3.690 . 0 0 "[ . 1 . 2]" 1
978 1 69 THR H 1 69 THR MG . . 3.280 2.385 2.028 2.607 . 0 0 "[ . 1 . 2]" 1
979 1 69 THR H 1 70 GLY H . . 3.140 2.621 2.456 2.895 . 0 0 "[ . 1 . 2]" 1
980 1 69 THR HA 1 69 THR HB . . 2.880 2.495 2.334 2.582 . 0 0 "[ . 1 . 2]" 1
981 1 69 THR HA 1 69 THR MG . . 3.080 2.376 2.290 2.617 . 0 0 "[ . 1 . 2]" 1
982 1 69 THR MG 1 70 GLY H . . 4.390 4.206 3.728 4.387 . 0 0 "[ . 1 . 2]" 1
983 1 70 GLY H 1 71 LYS H . . 4.450 4.033 2.936 4.454 0.004 15 0 "[ . 1 . 2]" 1
984 1 70 GLY HA2 1 71 LYS H . . 3.320 2.863 2.478 3.402 0.082 17 0 "[ . 1 . 2]" 1
985 1 70 GLY HA3 1 71 LYS H . . 3.130 2.357 2.184 2.638 . 0 0 "[ . 1 . 2]" 1
986 1 71 LYS H 1 71 LYS QB . . 3.260 2.350 1.984 3.152 . 0 0 "[ . 1 . 2]" 1
987 1 71 LYS H 1 72 ALA H . . 4.780 4.512 4.055 4.669 . 0 0 "[ . 1 . 2]" 1
988 1 71 LYS H 1 72 ALA HA . . 5.500 5.302 4.363 5.582 0.082 12 0 "[ . 1 . 2]" 1
989 1 71 LYS HA 1 71 LYS QG . . 3.500 2.626 2.307 3.470 . 0 0 "[ . 1 . 2]" 1
990 1 71 LYS HA 1 72 ALA H . . 2.850 2.227 2.116 2.308 . 0 0 "[ . 1 . 2]" 1
991 1 71 LYS HA 1 72 ALA HA . . 4.400 4.457 4.413 4.477 0.077 17 0 "[ . 1 . 2]" 1
992 1 71 LYS HA 1 72 ALA MB . . 4.170 4.009 3.839 4.154 . 0 0 "[ . 1 . 2]" 1
993 1 71 LYS QB 1 71 LYS QD . . 3.460 2.292 2.044 2.865 . 0 0 "[ . 1 . 2]" 1
994 1 71 LYS QB 1 71 LYS QE . . 4.360 2.675 2.024 3.771 . 0 0 "[ . 1 . 2]" 1
995 1 71 LYS QB 1 72 ALA H . . 4.290 3.528 2.659 3.952 . 0 0 "[ . 1 . 2]" 1
996 1 71 LYS QB 1 73 ILE MD . . 4.130 3.983 3.406 4.117 . 0 0 "[ . 1 . 2]" 1
997 1 71 LYS QD 1 72 ALA H . . 5.100 4.309 2.300 5.094 . 0 0 "[ . 1 . 2]" 1
998 1 71 LYS QD 1 73 ILE MD . . 3.740 3.437 2.147 3.867 0.127 13 0 "[ . 1 . 2]" 1
999 1 71 LYS QE 1 72 ALA H . . 4.870 3.904 3.084 4.410 . 0 0 "[ . 1 . 2]" 1
1000 1 71 LYS QE 1 73 ILE MG . . 4.240 3.975 3.457 4.216 . 0 0 "[ . 1 . 2]" 1
1001 1 72 ALA H 1 72 ALA MB . . 3.200 2.563 2.319 2.661 . 0 0 "[ . 1 . 2]" 1
1002 1 72 ALA H 1 73 ILE MD . . 5.500 4.111 3.461 5.252 . 0 0 "[ . 1 . 2]" 1
1003 1 72 ALA HA 1 73 ILE H . . 2.810 2.420 2.217 2.563 . 0 0 "[ . 1 . 2]" 1
1004 1 72 ALA HA 1 73 ILE HB . . 5.110 5.062 4.855 5.182 0.072 14 0 "[ . 1 . 2]" 1
1005 1 72 ALA HA 1 73 ILE QG . . 5.010 3.293 2.925 3.553 . 0 0 "[ . 1 . 2]" 1
1006 1 72 ALA MB 1 73 ILE H . . 3.500 2.455 2.076 2.988 . 0 0 "[ . 1 . 2]" 1
1007 1 72 ALA MB 1 74 GLU H . . 3.550 2.612 2.306 3.273 . 0 0 "[ . 1 . 2]" 1
1008 1 73 ILE H 1 73 ILE HB . . 3.340 2.936 2.707 3.133 . 0 0 "[ . 1 . 2]" 1
1009 1 73 ILE H 1 73 ILE QG . . 3.640 2.301 2.151 2.693 . 0 0 "[ . 1 . 2]" 1
1010 1 73 ILE H 1 73 ILE MG . . 4.680 3.901 3.819 4.019 . 0 0 "[ . 1 . 2]" 1
1011 1 73 ILE H 1 74 GLU H . . 3.060 2.291 2.115 2.559 . 0 0 "[ . 1 . 2]" 1
1012 1 73 ILE HA 1 73 ILE MG . . 3.120 2.214 2.108 2.301 . 0 0 "[ . 1 . 2]" 1
1013 1 73 ILE HB 1 73 ILE MD . . 3.340 3.212 2.517 3.309 . 0 0 "[ . 1 . 2]" 1
1014 1 73 ILE HB 1 74 GLU H . . 4.160 3.740 3.477 4.205 0.045 12 0 "[ . 1 . 2]" 1
1015 1 73 ILE QG 1 73 ILE MG . . 3.260 2.305 2.218 2.494 . 0 0 "[ . 1 . 2]" 1
1016 1 73 ILE QG 1 74 GLU H . . 4.870 4.203 4.021 4.517 . 0 0 "[ . 1 . 2]" 1
1017 1 73 ILE MG 1 74 GLU H . . 5.370 4.383 4.157 4.490 . 0 0 "[ . 1 . 2]" 1
1018 1 73 ILE MG 1 74 GLU HA . . 4.590 4.600 4.348 4.688 0.098 15 0 "[ . 1 . 2]" 1
1019 1 73 ILE MG 1 74 GLU QG . . 4.760 3.838 3.245 4.679 . 0 0 "[ . 1 . 2]" 1
1020 1 74 GLU H 1 74 GLU HB2 . . 3.970 3.065 2.506 3.994 0.024 4 0 "[ . 1 . 2]" 1
1021 1 74 GLU H 1 74 GLU QG . . 4.420 3.352 2.149 3.823 . 0 0 "[ . 1 . 2]" 1
1022 1 74 GLU H 1 75 PHE H . . 4.860 4.276 4.140 4.430 . 0 0 "[ . 1 . 2]" 1
1023 1 74 GLU HA 1 75 PHE H . . 2.840 2.342 2.167 2.578 . 0 0 "[ . 1 . 2]" 1
1024 1 74 GLU HA 1 129 ASN HA . . 3.370 2.159 1.839 2.426 . 0 0 "[ . 1 . 2]" 1
1025 1 74 GLU HA 1 129 ASN HB2 . . 4.250 3.845 3.199 4.312 0.062 16 0 "[ . 1 . 2]" 1
1026 1 74 GLU HA 1 129 ASN HB3 . . 4.280 3.687 2.620 4.353 0.073 12 0 "[ . 1 . 2]" 1
1027 1 74 GLU HB2 1 75 PHE H . . 4.220 3.738 2.790 4.160 . 0 0 "[ . 1 . 2]" 1
1028 1 74 GLU HB3 1 75 PHE H . . 3.940 2.859 2.379 4.251 0.311 4 0 "[ . 1 . 2]" 1
1029 1 74 GLU QG 1 129 ASN HB2 . . 4.940 3.120 2.199 4.492 . 0 0 "[ . 1 . 2]" 1
1030 1 74 GLU QG 1 129 ASN HB3 . . 4.890 2.937 2.130 4.141 . 0 0 "[ . 1 . 2]" 1
1031 1 75 PHE H 1 75 PHE QB . . 3.550 2.855 2.719 3.107 . 0 0 "[ . 1 . 2]" 1
1032 1 75 PHE H 1 75 PHE QD . . 4.970 4.350 3.787 4.539 . 0 0 "[ . 1 . 2]" 1
1033 1 75 PHE H 1 128 TYR H . . 3.680 3.030 2.591 3.748 0.068 13 0 "[ . 1 . 2]" 1
1034 1 75 PHE H 1 128 TYR HB2 . . 4.240 3.028 2.205 3.903 . 0 0 "[ . 1 . 2]" 1
1035 1 75 PHE H 1 128 TYR HB3 . . 4.930 3.893 3.365 4.872 . 0 0 "[ . 1 . 2]" 1
1036 1 75 PHE H 1 128 TYR QD . . 5.500 4.811 3.924 5.359 . 0 0 "[ . 1 . 2]" 1
1037 1 75 PHE H 1 129 ASN HA . . 4.390 3.752 3.375 4.239 . 0 0 "[ . 1 . 2]" 1
1038 1 75 PHE H 1 129 ASN HB3 . . 5.020 4.706 3.652 5.875 0.855 12 1 "[ . 1 + . 2]" 1
1039 1 75 PHE HA 1 75 PHE QD . . 3.580 2.162 2.004 2.775 . 0 0 "[ . 1 . 2]" 1
1040 1 75 PHE HA 1 76 ALA H . . 2.790 2.257 2.169 2.445 . 0 0 "[ . 1 . 2]" 1
1041 1 75 PHE QB 1 128 TYR H . . 5.460 3.829 3.374 4.252 . 0 0 "[ . 1 . 2]" 1
1042 1 75 PHE QB 1 128 TYR HB2 . . 3.960 2.559 2.286 2.912 . 0 0 "[ . 1 . 2]" 1
1043 1 75 PHE QB 1 128 TYR HB3 . . 4.410 3.642 3.177 4.158 . 0 0 "[ . 1 . 2]" 1
1044 1 75 PHE QB 1 128 TYR QD . . 4.130 3.087 2.295 3.978 . 0 0 "[ . 1 . 2]" 1
1045 1 75 PHE QD 1 76 ALA H . . 4.320 3.936 3.373 4.401 0.081 2 0 "[ . 1 . 2]" 1
1046 1 75 PHE QD 1 128 TYR HB3 . . 5.500 5.530 4.991 6.143 0.643 8 1 "[ . + 1 . 2]" 1
1047 1 75 PHE QD 1 128 TYR QD . . 3.940 3.943 3.329 4.065 0.125 9 0 "[ . 1 . 2]" 1
1048 1 76 ALA H 1 76 ALA MB . . 3.290 2.423 2.235 2.822 . 0 0 "[ . 1 . 2]" 1
1049 1 76 ALA HA 1 77 VAL H . . 2.810 2.246 2.063 2.379 . 0 0 "[ . 1 . 2]" 1
1050 1 76 ALA HA 1 77 VAL HB . . 5.250 4.621 4.155 5.333 0.083 3 0 "[ . 1 . 2]" 1
1051 1 76 ALA HA 1 77 VAL MG2 . . 4.480 3.598 3.137 4.048 . 0 0 "[ . 1 . 2]" 1
1052 1 76 ALA HA 1 127 TYR HA . . 3.840 2.111 1.932 2.341 . 0 0 "[ . 1 . 2]" 1
1053 1 76 ALA HA 1 127 TYR HB2 . . 4.560 4.214 3.310 5.142 0.582 13 2 "[ . 1 + - 2]" 1
1054 1 76 ALA HA 1 128 TYR H . . 4.250 3.213 2.676 3.651 . 0 0 "[ . 1 . 2]" 1
1055 1 76 ALA MB 1 77 VAL H . . 3.330 2.883 2.583 3.389 0.059 19 0 "[ . 1 . 2]" 1
1056 1 76 ALA MB 1 78 SER QB . . 5.000 4.498 3.143 5.117 0.117 5 0 "[ . 1 . 2]" 1
1057 1 76 ALA MB 1 127 TYR HA . . 3.660 3.082 2.575 3.578 . 0 0 "[ . 1 . 2]" 1
1058 1 76 ALA MB 1 127 TYR HB2 . . 4.290 3.961 3.349 4.786 0.496 7 0 "[ . 1 . 2]" 1
1059 1 76 ALA MB 1 127 TYR HB3 . . 4.700 4.371 2.487 4.802 0.102 12 0 "[ . 1 . 2]" 1
1060 1 76 ALA MB 1 127 TYR QD . . 3.300 2.591 2.054 3.396 0.096 17 0 "[ . 1 . 2]" 1
1061 1 76 ALA MB 1 128 TYR H . . 4.310 4.072 3.394 4.398 0.088 6 0 "[ . 1 . 2]" 1
1062 1 77 VAL H 1 77 VAL HB . . 3.570 2.883 2.632 3.534 . 0 0 "[ . 1 . 2]" 1
1063 1 77 VAL H 1 77 VAL MG1 . . 4.310 3.907 3.582 4.020 . 0 0 "[ . 1 . 2]" 1
1064 1 77 VAL H 1 77 VAL MG2 . . 3.860 3.004 2.284 3.315 . 0 0 "[ . 1 . 2]" 1
1065 1 77 VAL H 1 78 SER QB . . 5.050 4.569 3.877 5.132 0.082 2 0 "[ . 1 . 2]" 1
1066 1 77 VAL H 1 126 LEU H . . 3.820 3.396 2.959 3.892 0.072 17 0 "[ . 1 . 2]" 1
1067 1 77 VAL H 1 126 LEU HB2 . . 4.490 3.537 2.674 4.407 . 0 0 "[ . 1 . 2]" 1
1068 1 77 VAL H 1 126 LEU HB3 . . 4.660 3.730 2.991 4.501 . 0 0 "[ . 1 . 2]" 1
1069 1 77 VAL H 1 126 LEU QD . . 4.920 4.502 4.184 4.773 . 0 0 "[ . 1 . 2]" 1
1070 1 77 VAL HA 1 77 VAL MG1 . . 3.190 2.377 2.105 2.553 . 0 0 "[ . 1 . 2]" 1
1071 1 77 VAL HA 1 77 VAL MG2 . . 3.310 2.509 2.305 3.163 . 0 0 "[ . 1 . 2]" 1
1072 1 77 VAL HA 1 78 SER H . . 3.050 2.214 2.105 2.350 . 0 0 "[ . 1 . 2]" 1
1073 1 77 VAL HB 1 78 SER H . . 4.710 4.353 3.543 4.575 . 0 0 "[ . 1 . 2]" 1
1074 1 77 VAL HB 1 126 LEU QD . . 3.660 3.024 2.244 3.558 . 0 0 "[ . 1 . 2]" 1
1075 1 77 VAL MG1 1 78 SER H . . 3.470 3.137 2.618 3.552 0.082 10 0 "[ . 1 . 2]" 1
1076 1 77 VAL MG1 1 78 SER HA . . 5.190 3.716 3.168 5.264 0.074 3 0 "[ . 1 . 2]" 1
1077 1 77 VAL MG1 1 126 LEU HB3 . . 5.340 4.556 3.193 5.413 0.073 13 0 "[ . 1 . 2]" 1
1078 1 77 VAL MG2 1 78 SER H . . 4.580 4.290 4.051 4.511 . 0 0 "[ . 1 . 2]" 1
1079 1 77 VAL MG2 1 126 LEU HB2 . . 4.970 3.758 2.134 5.031 0.061 15 0 "[ . 1 . 2]" 1
1080 1 78 SER H 1 78 SER QB . . 3.870 2.824 2.483 3.370 . 0 0 "[ . 1 . 2]" 1
1081 1 78 SER H 1 79 GLY H . . 5.050 4.400 4.295 4.490 . 0 0 "[ . 1 . 2]" 1
1082 1 78 SER HA 1 79 GLY H . . 2.940 2.477 2.315 2.715 . 0 0 "[ . 1 . 2]" 1
1083 1 78 SER HA 1 124 LEU H . . 5.030 4.609 3.687 5.089 0.059 4 0 "[ . 1 . 2]" 1
1084 1 78 SER HA 1 124 LEU QB . . 3.500 2.421 1.919 3.073 . 0 0 "[ . 1 . 2]" 1
1085 1 78 SER HA 1 124 LEU QD . . 4.130 3.030 2.212 3.880 . 0 0 "[ . 1 . 2]" 1
1086 1 78 SER HA 1 125 ASN H . . 5.280 4.296 3.608 4.982 . 0 0 "[ . 1 . 2]" 1
1087 1 78 SER QB 1 79 GLY H . . 3.390 2.803 2.144 3.479 0.089 3 0 "[ . 1 . 2]" 1
1088 1 78 SER QB 1 125 ASN HA . . 4.170 3.310 2.125 4.257 0.087 18 0 "[ . 1 . 2]" 1
1089 1 79 GLY H 1 124 LEU H . . 4.090 3.694 2.925 4.164 0.074 6 0 "[ . 1 . 2]" 1
1090 1 79 GLY H 1 124 LEU QB . . 3.670 2.370 2.038 3.028 . 0 0 "[ . 1 . 2]" 1
1091 1 79 GLY H 1 124 LEU QD . . 4.620 3.554 3.036 4.270 . 0 0 "[ . 1 . 2]" 1
1092 1 79 GLY QA 1 80 GLY H . . 3.050 2.277 2.141 2.479 . 0 0 "[ . 1 . 2]" 1
1093 1 79 GLY QA 1 124 LEU QB . . 4.940 3.425 2.931 3.956 . 0 0 "[ . 1 . 2]" 1
1094 1 80 GLY H 1 81 VAL H . . 4.870 4.336 3.878 4.658 . 0 0 "[ . 1 . 2]" 1
1095 1 80 GLY H 1 81 VAL QG . . 5.500 4.218 3.383 5.014 . 0 0 "[ . 1 . 2]" 1
1096 1 80 GLY HA2 1 81 VAL H . . 3.310 2.642 2.223 3.038 . 0 0 "[ . 1 . 2]" 1
1097 1 80 GLY HA2 1 123 ASP HB2 . . 4.010 3.556 2.316 4.190 0.180 10 0 "[ . 1 . 2]" 1
1098 1 80 GLY HA3 1 81 VAL H . . 3.380 2.625 2.332 3.226 . 0 0 "[ . 1 . 2]" 1
1099 1 80 GLY HA3 1 81 VAL QG . . 5.370 4.100 3.693 4.637 . 0 0 "[ . 1 . 2]" 1
1100 1 80 GLY HA3 1 123 ASP HB2 . . 4.120 3.557 2.264 4.198 0.078 7 0 "[ . 1 . 2]" 1
1101 1 81 VAL H 1 81 VAL HB . . 3.960 3.627 2.931 3.899 . 0 0 "[ . 1 . 2]" 1
1102 1 81 VAL H 1 81 VAL QG . . 4.030 2.414 1.974 2.677 . 0 0 "[ . 1 . 2]" 1
1103 1 81 VAL H 1 82 VAL H . . 5.020 4.230 3.527 4.555 . 0 0 "[ . 1 . 2]" 1
1104 1 81 VAL H 1 82 VAL QG . . 5.500 4.569 3.644 5.277 . 0 0 "[ . 1 . 2]" 1
1105 1 81 VAL H 1 123 ASP HB2 . . 4.830 4.427 3.468 5.001 0.171 13 0 "[ . 1 . 2]" 1
1106 1 81 VAL HA 1 82 VAL H . . 2.980 2.369 2.120 2.734 . 0 0 "[ . 1 . 2]" 1
1107 1 81 VAL HB 1 82 VAL H . . 3.870 3.260 1.852 3.937 0.067 9 0 "[ . 1 . 2]" 1
1108 1 81 VAL QG 1 82 VAL H . . 3.890 2.848 1.809 3.674 . 0 0 "[ . 1 . 2]" 1
1109 1 81 VAL QG 1 82 VAL HA . . 4.740 3.850 2.960 4.538 . 0 0 "[ . 1 . 2]" 1
1110 1 81 VAL QG 1 93 MET ME . . 4.140 3.187 2.422 3.776 . 0 0 "[ . 1 . 2]" 1
1111 1 81 VAL QG 1 93 MET QG . . 5.460 3.346 2.710 4.212 . 0 0 "[ . 1 . 2]" 1
1112 1 81 VAL QG 1 113 PHE HB2 . . 4.860 3.478 2.511 4.391 . 0 0 "[ . 1 . 2]" 1
1113 1 81 VAL QG 1 113 PHE HB3 . . 5.270 3.638 2.252 4.788 . 0 0 "[ . 1 . 2]" 1
1114 1 81 VAL QG 1 113 PHE QD . . 4.240 2.909 2.059 4.108 . 0 0 "[ . 1 . 2]" 1
1115 1 82 VAL H 1 82 VAL HB . . 4.010 3.387 2.641 3.856 . 0 0 "[ . 1 . 2]" 1
1116 1 82 VAL H 1 82 VAL QG . . 3.630 2.266 1.896 2.733 . 0 0 "[ . 1 . 2]" 1
1117 1 82 VAL H 1 119 ILE MD . . 4.650 4.642 4.027 4.762 0.112 6 0 "[ . 1 . 2]" 1
1118 1 82 VAL HA 1 83 ASP H . . 2.990 2.444 2.223 2.794 . 0 0 "[ . 1 . 2]" 1
1119 1 82 VAL HA 1 83 ASP QB . . 4.380 4.096 3.948 4.289 . 0 0 "[ . 1 . 2]" 1
1120 1 82 VAL HB 1 83 ASP H . . 4.140 3.328 1.921 4.183 0.043 4 0 "[ . 1 . 2]" 1
1121 1 82 VAL QG 1 83 ASP H . . 3.690 2.508 1.806 3.122 . 0 0 "[ . 1 . 2]" 1
1122 1 82 VAL QG 1 83 ASP HA . . 5.230 3.698 2.865 4.667 . 0 0 "[ . 1 . 2]" 1
1123 1 82 VAL QG 1 83 ASP QB . . 5.060 3.862 3.423 4.222 . 0 0 "[ . 1 . 2]" 1
1124 1 82 VAL QG 1 84 GLY H . . 5.400 3.701 1.741 5.235 . 0 0 "[ . 1 . 2]" 1
1125 1 83 ASP H 1 83 ASP QB . . 3.330 2.424 1.984 2.895 . 0 0 "[ . 1 . 2]" 1
1126 1 83 ASP H 1 85 GLU H . . 5.270 5.161 4.198 5.359 0.089 16 0 "[ . 1 . 2]" 1
1127 1 83 ASP H 1 117 LYS H . . 5.320 4.721 4.075 5.407 0.087 5 0 "[ . 1 . 2]" 1
1128 1 83 ASP HA 1 84 GLY H . . 3.110 2.337 2.070 3.161 0.051 8 0 "[ . 1 . 2]" 1
1129 1 83 ASP HA 1 84 GLY HA3 . . 4.750 4.470 4.267 5.160 0.410 8 0 "[ . 1 . 2]" 1
1130 1 83 ASP HA 1 85 GLU H . . 4.110 3.789 3.399 4.203 0.093 20 0 "[ . 1 . 2]" 1
1131 1 83 ASP QB 1 84 GLY H . . 5.050 3.707 3.332 4.053 . 0 0 "[ . 1 . 2]" 1
1132 1 83 ASP QB 1 85 GLU H . . 5.170 3.836 2.974 4.890 . 0 0 "[ . 1 . 2]" 1
1133 1 83 ASP QB 1 116 GLY H . . 4.250 3.245 2.348 3.880 . 0 0 "[ . 1 . 2]" 1
1134 1 83 ASP QB 1 117 LYS H . . 4.770 3.318 1.793 4.478 . 0 0 "[ . 1 . 2]" 1
1135 1 84 GLY H 1 85 GLU H . . 3.280 2.568 1.923 3.351 0.071 20 0 "[ . 1 . 2]" 1
1136 1 85 GLU H 1 85 GLU HB2 . . 3.520 2.844 2.198 3.869 0.349 16 0 "[ . 1 . 2]" 1
1137 1 85 GLU H 1 85 GLU HB3 . . 4.110 3.536 2.535 3.887 . 0 0 "[ . 1 . 2]" 1
1138 1 85 GLU H 1 85 GLU HG3 . . 4.380 3.663 2.508 4.461 0.081 20 0 "[ . 1 . 2]" 1
1139 1 85 GLU H 1 86 ASP H . . 4.510 4.405 3.384 4.589 0.079 8 0 "[ . 1 . 2]" 1
1140 1 85 GLU HA 1 85 GLU HG2 . . 3.960 3.153 2.364 4.048 0.088 19 0 "[ . 1 . 2]" 1
1141 1 85 GLU HA 1 85 GLU HG3 . . 4.050 3.544 2.313 4.135 0.085 10 0 "[ . 1 . 2]" 1
1142 1 85 GLU HA 1 86 ASP H . . 3.450 2.401 2.079 3.029 . 0 0 "[ . 1 . 2]" 1
1143 1 85 GLU HB2 1 86 ASP H . . 5.500 3.482 2.250 4.481 . 0 0 "[ . 1 . 2]" 1
1144 1 85 GLU HB2 1 88 VAL H . . 4.980 4.152 3.063 5.037 0.057 11 0 "[ . 1 . 2]" 1
1145 1 85 GLU HB2 1 88 VAL QG . . 4.300 2.873 2.040 4.111 . 0 0 "[ . 1 . 2]" 1
1146 1 85 GLU HB3 1 86 ASP QB . . 5.110 5.063 4.444 5.984 0.874 18 3 "[ - . * . + 2]" 1
1147 1 85 GLU HB3 1 88 VAL H . . 4.580 3.896 2.509 5.053 0.473 19 0 "[ . 1 . 2]" 1
1148 1 85 GLU HB3 1 88 VAL QG . . 4.020 2.669 1.889 4.036 0.016 2 0 "[ . 1 . 2]" 1
1149 1 85 GLU HG3 1 88 VAL QG . . 5.090 3.252 2.052 5.063 . 0 0 "[ . 1 . 2]" 1
1150 1 86 ASP H 1 86 ASP QB . . 3.340 2.753 2.333 3.292 . 0 0 "[ . 1 . 2]" 1
1151 1 86 ASP H 1 87 GLY H . . 3.720 3.019 1.729 3.804 0.084 14 0 "[ . 1 . 2]" 1
1152 1 86 ASP HA 1 87 GLY H . . 3.200 2.588 2.092 3.284 0.084 20 0 "[ . 1 . 2]" 1
1153 1 86 ASP HA 1 88 VAL H . . 4.640 4.026 3.584 4.709 0.069 12 0 "[ . 1 . 2]" 1
1154 1 86 ASP QB 1 87 GLY H . . 3.960 3.775 3.193 4.045 0.085 16 0 "[ . 1 . 2]" 1
1155 1 87 GLY H 1 88 VAL H . . 3.530 2.284 1.826 2.703 . 0 0 "[ . 1 . 2]" 1
1156 1 87 GLY H 1 88 VAL QG . . 5.500 3.477 2.943 4.273 . 0 0 "[ . 1 . 2]" 1
1157 1 87 GLY HA3 1 88 VAL QG . . 5.500 3.960 3.172 4.883 . 0 0 "[ . 1 . 2]" 1
1158 1 88 VAL H 1 88 VAL HB . . 3.520 3.115 2.237 3.605 0.085 10 0 "[ . 1 . 2]" 1
1159 1 88 VAL H 1 88 VAL QG . . 3.530 2.210 1.878 2.817 . 0 0 "[ . 1 . 2]" 1
1160 1 88 VAL H 1 89 VAL H . . 5.050 4.281 3.564 4.667 . 0 0 "[ . 1 . 2]" 1
1161 1 88 VAL HA 1 88 VAL QG . . 3.130 2.259 2.084 2.413 . 0 0 "[ . 1 . 2]" 1
1162 1 88 VAL HA 1 89 VAL H . . 2.870 2.384 2.164 2.798 . 0 0 "[ . 1 . 2]" 1
1163 1 88 VAL HB 1 89 VAL H . . 4.970 3.674 1.974 4.517 . 0 0 "[ . 1 . 2]" 1
1164 1 88 VAL QG 1 89 VAL H . . 3.850 2.746 1.824 3.686 . 0 0 "[ . 1 . 2]" 1
1165 1 88 VAL QG 1 90 ASN HB3 . . 5.410 4.146 2.662 5.012 . 0 0 "[ . 1 . 2]" 1
1166 1 88 VAL QG 1 90 ASN HD21 . . 4.210 3.135 1.718 4.459 0.249 19 0 "[ . 1 . 2]" 1
1167 1 88 VAL QG 1 90 ASN HD22 . . 4.560 3.424 2.308 4.448 . 0 0 "[ . 1 . 2]" 1
1168 1 89 VAL H 1 89 VAL HB . . 3.180 2.853 2.394 3.258 0.078 7 0 "[ . 1 . 2]" 1
1169 1 89 VAL H 1 89 VAL QG . . 3.180 2.265 1.834 2.951 . 0 0 "[ . 1 . 2]" 1
1170 1 89 VAL HA 1 89 VAL QG . . 3.220 2.243 2.084 2.381 . 0 0 "[ . 1 . 2]" 1
1171 1 89 VAL HA 1 90 ASN H . . 2.820 2.226 2.073 2.501 . 0 0 "[ . 1 . 2]" 1
1172 1 89 VAL HA 1 90 ASN HB2 . . 4.960 4.728 4.114 5.845 0.885 2 4 "[-+ . *1 . * 2]" 1
1173 1 89 VAL QG 1 90 ASN H . . 3.570 2.975 2.068 3.475 . 0 0 "[ . 1 . 2]" 1
1174 1 90 ASN H 1 90 ASN HB2 . . 3.600 2.925 2.269 3.827 0.227 1 0 "[ . 1 . 2]" 1
1175 1 90 ASN H 1 90 ASN HB3 . . 4.050 3.467 2.858 3.890 . 0 0 "[ . 1 . 2]" 1
1176 1 90 ASN HA 1 90 ASN HD21 . . 3.790 3.448 1.981 3.882 0.092 1 0 "[ . 1 . 2]" 1
1177 1 90 ASN HA 1 91 GLU H . . 3.130 2.737 2.262 3.125 . 0 0 "[ . 1 . 2]" 1
1178 1 90 ASN HB2 1 91 GLU H . . 4.210 3.238 1.796 4.275 0.065 3 0 "[ . 1 . 2]" 1
1179 1 90 ASN HB3 1 91 GLU H . . 3.880 2.570 1.783 3.711 . 0 0 "[ . 1 . 2]" 1
1180 1 90 ASN HD21 1 91 GLU H . . 5.270 4.520 3.660 5.320 0.050 18 0 "[ . 1 . 2]" 1
1181 1 91 GLU H 1 91 GLU HB2 . . 3.610 2.425 2.154 2.708 . 0 0 "[ . 1 . 2]" 1
1182 1 91 GLU H 1 91 GLU HB3 . . 4.070 3.558 3.329 3.777 . 0 0 "[ . 1 . 2]" 1
1183 1 91 GLU H 1 91 GLU HG2 . . 4.090 3.999 3.457 4.168 0.078 4 0 "[ . 1 . 2]" 1
1184 1 91 GLU H 1 91 GLU HG3 . . 3.880 3.673 3.167 4.159 0.279 5 0 "[ . 1 . 2]" 1
1185 1 91 GLU HA 1 91 GLU HG2 . . 3.480 2.202 2.085 2.455 . 0 0 "[ . 1 . 2]" 1
1186 1 91 GLU HA 1 91 GLU HG3 . . 3.650 3.193 2.856 3.646 . 0 0 "[ . 1 . 2]" 1
1187 1 91 GLU HA 1 92 PRO QB . . 4.630 4.505 4.347 4.702 0.072 9 0 "[ . 1 . 2]" 1
1188 1 91 GLU HA 1 92 PRO HD2 . . 3.050 2.622 2.425 3.002 . 0 0 "[ . 1 . 2]" 1
1189 1 91 GLU HA 1 92 PRO HD3 . . 3.010 2.376 2.232 2.532 . 0 0 "[ . 1 . 2]" 1
1190 1 91 GLU HB2 1 92 PRO HD2 . . 4.660 3.835 3.694 4.029 . 0 0 "[ . 1 . 2]" 1
1191 1 91 GLU HB3 1 92 PRO HD2 . . 3.770 2.266 2.087 2.639 . 0 0 "[ . 1 . 2]" 1
1192 1 91 GLU HG2 1 92 PRO HD2 . . 4.880 3.122 2.337 4.084 . 0 0 "[ . 1 . 2]" 1
1193 1 91 GLU HG3 1 92 PRO HD2 . . 4.450 4.273 3.860 4.521 0.071 15 0 "[ . 1 . 2]" 1
1194 1 92 PRO HA 1 93 MET H . . 3.010 2.643 2.467 2.826 . 0 0 "[ . 1 . 2]" 1
1195 1 92 PRO QB 1 93 MET H . . 4.560 2.333 1.969 2.563 . 0 0 "[ . 1 . 2]" 1
1196 1 92 PRO QB 1 112 VAL QG . . 4.320 4.008 3.297 4.423 0.103 12 0 "[ . 1 . 2]" 1
1197 1 92 PRO QB 1 114 ARG HA . . 4.540 2.276 1.964 3.381 . 0 0 "[ . 1 . 2]" 1
1198 1 92 PRO QB 1 114 ARG QD . . 4.970 3.712 2.113 5.069 0.099 8 0 "[ . 1 . 2]" 1
1199 1 92 PRO QB 1 114 ARG QG . . 4.540 2.816 2.014 4.306 . 0 0 "[ . 1 . 2]" 1
1200 1 93 MET H 1 93 MET QG . . 4.310 2.609 2.305 2.918 . 0 0 "[ . 1 . 2]" 1
1201 1 93 MET H 1 94 GLN QG . . 4.320 4.387 4.189 4.427 0.107 9 0 "[ . 1 . 2]" 1
1202 1 93 MET H 1 112 VAL QG . . 5.080 4.516 3.616 5.173 0.093 6 0 "[ . 1 . 2]" 1
1203 1 93 MET H 1 113 PHE H . . 4.390 3.645 2.978 4.447 0.057 5 0 "[ . 1 . 2]" 1
1204 1 93 MET H 1 114 ARG HA . . 5.170 3.734 3.066 5.024 . 0 0 "[ . 1 . 2]" 1
1205 1 93 MET HA 1 94 GLN H . . 3.080 2.441 2.338 2.633 . 0 0 "[ . 1 . 2]" 1
1206 1 93 MET HB2 1 94 GLN H . . 4.640 2.336 1.961 2.521 . 0 0 "[ . 1 . 2]" 1
1207 1 93 MET HB3 1 93 MET ME . . 3.570 2.969 2.229 3.474 . 0 0 "[ . 1 . 2]" 1
1208 1 93 MET HB3 1 94 GLN H . . 4.190 3.758 3.459 3.910 . 0 0 "[ . 1 . 2]" 1
1209 1 93 MET ME 1 94 GLN H . . 4.410 3.178 2.352 3.862 . 0 0 "[ . 1 . 2]" 1
1210 1 93 MET ME 1 95 TRP HD1 . . 4.060 2.464 2.012 3.574 . 0 0 "[ . 1 . 2]" 1
1211 1 93 MET ME 1 95 TRP HE1 . . 3.530 2.290 1.688 2.960 . 0 0 "[ . 1 . 2]" 1
1212 1 93 MET QG 1 94 GLN HA . . 5.340 3.615 3.036 4.303 . 0 0 "[ . 1 . 2]" 1
1213 1 93 MET QG 1 113 PHE H . . 5.010 3.521 2.899 4.303 . 0 0 "[ . 1 . 2]" 1
1214 1 93 MET QG 1 113 PHE HB2 . . 4.770 2.641 2.022 4.013 . 0 0 "[ . 1 . 2]" 1
1215 1 93 MET QG 1 113 PHE HB3 . . 4.590 3.493 2.159 4.458 . 0 0 "[ . 1 . 2]" 1
1216 1 94 GLN H 1 94 GLN HB3 . . 4.120 3.791 3.696 3.914 . 0 0 "[ . 1 . 2]" 1
1217 1 94 GLN HA 1 94 GLN QG . . 3.820 2.381 2.191 3.279 . 0 0 "[ . 1 . 2]" 1
1218 1 94 GLN HA 1 95 TRP H . . 2.910 2.288 2.091 2.411 . 0 0 "[ . 1 . 2]" 1
1219 1 94 GLN HA 1 95 TRP HB2 . . 4.860 4.304 3.852 4.657 . 0 0 "[ . 1 . 2]" 1
1220 1 94 GLN HA 1 111 LEU HB2 . . 4.470 4.313 3.671 4.539 0.069 11 0 "[ . 1 . 2]" 1
1221 1 94 GLN HA 1 112 VAL HA . . 3.350 2.508 2.133 2.953 . 0 0 "[ . 1 . 2]" 1
1222 1 94 GLN HA 1 112 VAL QG . . 4.340 3.813 3.415 4.378 0.038 9 0 "[ . 1 . 2]" 1
1223 1 94 GLN HA 1 113 PHE H . . 4.190 3.251 2.502 3.869 . 0 0 "[ . 1 . 2]" 1
1224 1 94 GLN HB2 1 94 GLN HE22 . . 5.090 4.279 3.458 4.819 . 0 0 "[ . 1 . 2]" 1
1225 1 94 GLN HB2 1 95 TRP H . . 4.060 3.843 2.438 4.149 0.089 15 0 "[ . 1 . 2]" 1
1226 1 94 GLN HB3 1 94 GLN HE22 . . 5.130 4.526 3.765 5.137 0.007 10 0 "[ . 1 . 2]" 1
1227 1 94 GLN HB3 1 95 TRP H . . 4.080 2.744 2.298 3.597 . 0 0 "[ . 1 . 2]" 1
1228 1 94 GLN QG 1 95 TRP H . . 3.970 3.662 3.298 4.058 0.088 15 0 "[ . 1 . 2]" 1
1229 1 94 GLN QG 1 111 LEU H . . 4.780 4.834 4.517 4.876 0.096 17 0 "[ . 1 . 2]" 1
1230 1 94 GLN QG 1 112 VAL HA . . 4.740 2.341 2.000 4.201 . 0 0 "[ . 1 . 2]" 1
1231 1 94 GLN QG 1 113 PHE H . . 5.440 3.589 2.745 4.869 . 0 0 "[ . 1 . 2]" 1
1232 1 95 TRP H 1 95 TRP HB2 . . 3.950 2.550 2.286 2.736 . 0 0 "[ . 1 . 2]" 1
1233 1 95 TRP H 1 96 VAL H . . 4.770 4.232 3.664 4.478 . 0 0 "[ . 1 . 2]" 1
1234 1 95 TRP H 1 111 LEU H . . 4.290 2.864 2.473 3.530 . 0 0 "[ . 1 . 2]" 1
1235 1 95 TRP H 1 111 LEU HB2 . . 4.870 3.121 2.142 3.586 . 0 0 "[ . 1 . 2]" 1
1236 1 95 TRP H 1 112 VAL HA . . 4.600 3.858 3.469 4.232 . 0 0 "[ . 1 . 2]" 1
1237 1 95 TRP HA 1 95 TRP HD1 . . 3.420 2.373 2.216 2.568 . 0 0 "[ . 1 . 2]" 1
1238 1 95 TRP HA 1 95 TRP HE1 . . 5.040 4.713 4.555 4.980 . 0 0 "[ . 1 . 2]" 1
1239 1 95 TRP HA 1 96 VAL H . . 3.030 2.227 2.135 2.349 . 0 0 "[ . 1 . 2]" 1
1240 1 95 TRP HA 1 97 VAL QG . . 5.270 4.192 3.470 5.085 . 0 0 "[ . 1 . 2]" 1
1241 1 95 TRP HB2 1 96 VAL H . . 5.050 4.336 3.719 4.693 . 0 0 "[ . 1 . 2]" 1
1242 1 95 TRP HB2 1 97 VAL QG . . 4.470 3.700 2.992 4.578 0.108 7 0 "[ . 1 . 2]" 1
1243 1 95 TRP HB2 1 111 LEU H . . 4.940 3.503 2.828 4.285 . 0 0 "[ . 1 . 2]" 1
1244 1 95 TRP HB2 1 111 LEU HB2 . . 4.040 2.532 2.146 2.950 . 0 0 "[ . 1 . 2]" 1
1245 1 95 TRP HB2 1 111 LEU HB3 . . 4.740 4.182 3.467 4.692 . 0 0 "[ . 1 . 2]" 1
1246 1 95 TRP HB2 1 111 LEU QD . . 4.210 2.549 2.097 3.292 . 0 0 "[ . 1 . 2]" 1
1247 1 95 TRP HB3 1 96 VAL H . . 4.440 3.349 2.602 4.191 . 0 0 "[ . 1 . 2]" 1
1248 1 95 TRP HB3 1 96 VAL QG . . 4.950 4.734 4.475 5.053 0.103 8 0 "[ . 1 . 2]" 1
1249 1 95 TRP HB3 1 97 VAL QG . . 3.410 2.582 2.118 3.433 0.023 7 0 "[ . 1 . 2]" 1
1250 1 95 TRP HB3 1 111 LEU H . . 5.000 4.159 3.696 4.873 . 0 0 "[ . 1 . 2]" 1
1251 1 95 TRP HB3 1 111 LEU HB2 . . 4.280 3.940 2.825 4.353 0.073 17 0 "[ . 1 . 2]" 1
1252 1 95 TRP HD1 1 96 VAL H . . 4.570 4.453 4.119 4.637 0.067 20 0 "[ . 1 . 2]" 1
1253 1 95 TRP HE3 1 97 VAL QG . . 4.440 2.917 2.062 3.932 . 0 0 "[ . 1 . 2]" 1
1254 1 95 TRP HE3 1 111 LEU QD . . 3.780 2.505 2.028 3.063 . 0 0 "[ . 1 . 2]" 1
1255 1 95 TRP HE3 1 124 LEU QD . . 4.240 2.536 2.081 2.936 . 0 0 "[ . 1 . 2]" 1
1256 1 96 VAL H 1 96 VAL HB . . 3.420 2.883 2.321 3.513 0.093 17 0 "[ . 1 . 2]" 1
1257 1 96 VAL H 1 96 VAL QG . . 3.810 2.554 2.153 2.963 . 0 0 "[ . 1 . 2]" 1
1258 1 96 VAL H 1 97 VAL H . . 4.740 4.210 3.553 4.546 . 0 0 "[ . 1 . 2]" 1
1259 1 96 VAL H 1 97 VAL QG . . 4.580 3.702 3.029 4.663 0.083 10 0 "[ . 1 . 2]" 1
1260 1 96 VAL HA 1 96 VAL QG . . 3.280 2.175 2.081 2.386 . 0 0 "[ . 1 . 2]" 1
1261 1 96 VAL HA 1 97 VAL H . . 2.960 2.253 2.062 2.358 . 0 0 "[ . 1 . 2]" 1
1262 1 96 VAL HA 1 97 VAL QG . . 3.620 3.318 2.932 3.706 0.086 7 0 "[ . 1 . 2]" 1
1263 1 96 VAL HA 1 110 SER HA . . 3.280 2.421 1.959 3.341 0.061 12 0 "[ . 1 . 2]" 1
1264 1 96 VAL HA 1 111 LEU H . . 4.630 3.718 3.451 4.022 . 0 0 "[ . 1 . 2]" 1
1265 1 96 VAL QG 1 97 VAL H . . 4.170 2.936 2.489 3.659 . 0 0 "[ . 1 . 2]" 1
1266 1 96 VAL QG 1 110 SER HA . . 3.760 3.362 2.655 3.783 0.023 20 0 "[ . 1 . 2]" 1
1267 1 96 VAL QG 1 110 SER QB . . 4.260 2.324 1.884 3.371 . 0 0 "[ . 1 . 2]" 1
1268 1 97 VAL H 1 97 VAL HB . . 3.560 3.469 2.899 3.650 0.090 8 0 "[ . 1 . 2]" 1
1269 1 97 VAL H 1 97 VAL QG . . 3.700 2.222 1.900 2.810 . 0 0 "[ . 1 . 2]" 1
1270 1 97 VAL H 1 98 THR H . . 5.240 4.127 2.998 4.513 . 0 0 "[ . 1 . 2]" 1
1271 1 97 VAL H 1 110 SER HA . . 4.470 3.071 2.651 3.422 . 0 0 "[ . 1 . 2]" 1
1272 1 97 VAL H 1 110 SER QB . . 4.570 3.973 3.393 4.477 . 0 0 "[ . 1 . 2]" 1
1273 1 97 VAL HA 1 97 VAL QG . . 3.010 2.258 2.125 2.452 . 0 0 "[ . 1 . 2]" 1
1274 1 97 VAL HA 1 98 THR H . . 2.850 2.286 2.134 2.612 . 0 0 "[ . 1 . 2]" 1
1275 1 97 VAL HB 1 98 THR H . . 5.100 3.605 2.361 4.464 . 0 0 "[ . 1 . 2]" 1
1276 1 97 VAL QG 1 110 SER HA . . 4.570 3.168 2.214 4.066 . 0 0 "[ . 1 . 2]" 1
1277 1 97 VAL QG 1 110 SER QB . . 5.020 4.432 3.735 4.863 . 0 0 "[ . 1 . 2]" 1
1278 1 98 THR H 1 98 THR HB . . 3.580 2.835 2.450 3.342 . 0 0 "[ . 1 . 2]" 1
1279 1 98 THR HA 1 98 THR MG . . 3.210 2.338 2.172 2.473 . 0 0 "[ . 1 . 2]" 1
1280 1 98 THR HA 1 99 VAL H . . 2.840 2.325 2.235 2.470 . 0 0 "[ . 1 . 2]" 1
1281 1 98 THR HA 1 99 VAL MG2 . . 4.390 3.510 3.259 3.959 . 0 0 "[ . 1 . 2]" 1
1282 1 98 THR HA 1 108 LYS H . . 5.360 4.779 4.376 5.440 0.080 7 0 "[ . 1 . 2]" 1
1283 1 98 THR HA 1 109 LYS H . . 3.940 3.603 2.929 4.007 0.067 9 0 "[ . 1 . 2]" 1
1284 1 98 THR HB 1 100 TYR QR . . 4.150 2.454 2.134 2.919 . 0 0 "[ . 1 . 2]" 1
1285 1 98 THR MG 1 99 VAL H . . 3.210 2.470 2.091 3.008 . 0 0 "[ . 1 . 2]" 1
1286 1 98 THR MG 1 100 TYR QR . . 3.820 2.709 2.230 3.862 0.042 15 0 "[ . 1 . 2]" 1
1287 1 98 THR MG 1 105 GLU HA . . 4.540 3.949 3.365 4.636 0.096 15 0 "[ . 1 . 2]" 1
1288 1 98 THR MG 1 105 GLU HB3 . . 4.880 4.608 4.310 4.978 0.098 10 0 "[ . 1 . 2]" 1
1289 1 98 THR MG 1 105 GLU QG . . 3.580 2.211 1.993 2.536 . 0 0 "[ . 1 . 2]" 1
1290 1 98 THR MG 1 107 GLU H . . 4.480 3.721 3.281 4.356 . 0 0 "[ . 1 . 2]" 1
1291 1 99 VAL H 1 99 VAL HB . . 3.480 2.869 2.649 3.558 0.078 8 0 "[ . 1 . 2]" 1
1292 1 99 VAL H 1 99 VAL MG1 . . 4.650 3.900 2.933 4.071 . 0 0 "[ . 1 . 2]" 1
1293 1 99 VAL H 1 99 VAL MG2 . . 3.640 2.745 1.973 3.119 . 0 0 "[ . 1 . 2]" 1
1294 1 99 VAL H 1 107 GLU H . . 4.050 3.011 2.747 3.793 . 0 0 "[ . 1 . 2]" 1
1295 1 99 VAL H 1 107 GLU HB2 . . 5.030 4.259 3.275 5.091 0.061 8 0 "[ . 1 . 2]" 1
1296 1 99 VAL H 1 109 LYS H . . 4.930 4.955 4.631 5.019 0.089 6 0 "[ . 1 . 2]" 1
1297 1 99 VAL HA 1 99 VAL MG1 . . 3.250 2.317 2.243 2.453 . 0 0 "[ . 1 . 2]" 1
1298 1 99 VAL HA 1 99 VAL MG2 . . 3.300 2.528 2.309 3.183 . 0 0 "[ . 1 . 2]" 1
1299 1 99 VAL HA 1 100 TYR H . . 2.900 2.133 2.039 2.237 . 0 0 "[ . 1 . 2]" 1
1300 1 99 VAL HA 1 100 TYR QR . . 4.270 3.319 2.649 3.950 . 0 0 "[ . 1 . 2]" 1
1301 1 99 VAL HA 1 128 TYR QE . . 5.500 5.381 4.854 5.589 0.089 2 0 "[ . 1 . 2]" 1
1302 1 99 VAL HB 1 106 ILE MD . . 3.530 3.223 2.374 3.615 0.085 8 0 "[ . 1 . 2]" 1
1303 1 99 VAL HB 1 107 GLU H . . 4.440 3.409 2.653 4.525 0.085 8 0 "[ . 1 . 2]" 1
1304 1 99 VAL HB 1 128 TYR QE . . 4.870 3.061 2.326 4.121 . 0 0 "[ . 1 . 2]" 1
1305 1 99 VAL MG1 1 100 TYR H . . 3.520 2.636 2.268 3.398 . 0 0 "[ . 1 . 2]" 1
1306 1 99 VAL MG1 1 100 TYR HA . . 4.570 4.018 3.673 5.368 0.798 8 1 "[ . + 1 . 2]" 1
1307 1 99 VAL MG1 1 128 TYR QD . . 5.210 2.714 2.258 3.957 . 0 0 "[ . 1 . 2]" 1
1308 1 99 VAL MG1 1 128 TYR QE . . 3.740 2.677 2.090 3.495 . 0 0 "[ . 1 . 2]" 1
1309 1 99 VAL MG2 1 100 TYR H . . 4.140 4.081 3.634 4.203 0.063 18 0 "[ . 1 . 2]" 1
1310 1 99 VAL MG2 1 107 GLU HB2 . . 5.070 3.483 2.709 4.567 . 0 0 "[ . 1 . 2]" 1
1311 1 99 VAL MG2 1 128 TYR QD . . 5.500 3.399 2.595 4.209 . 0 0 "[ . 1 . 2]" 1
1312 1 99 VAL MG2 1 128 TYR QE . . 3.620 2.359 2.039 3.058 . 0 0 "[ . 1 . 2]" 1
1313 1 100 TYR H 1 100 TYR HB2 . . 3.810 2.549 2.292 2.810 . 0 0 "[ . 1 . 2]" 1
1314 1 100 TYR H 1 100 TYR QD . . 3.680 2.726 2.435 3.315 . 0 0 "[ . 1 . 2]" 1
1315 1 100 TYR H 1 100 TYR QE . . 5.090 4.832 4.573 5.168 0.078 8 0 "[ . 1 . 2]" 1
1316 1 100 TYR HA 1 101 LYS H . . 2.820 2.264 2.127 2.439 . 0 0 "[ . 1 . 2]" 1
1317 1 100 TYR HA 1 101 LYS HB3 . . 4.900 4.744 4.439 5.138 0.238 20 0 "[ . 1 . 2]" 1
1318 1 100 TYR HA 1 104 LYS H . . 4.600 4.371 4.027 4.667 0.067 15 0 "[ . 1 . 2]" 1
1319 1 100 TYR HA 1 105 GLU HA . . 3.230 2.155 1.974 2.440 . 0 0 "[ . 1 . 2]" 1
1320 1 100 TYR HA 1 105 GLU HB2 . . 4.840 4.508 3.745 4.718 . 0 0 "[ . 1 . 2]" 1
1321 1 100 TYR HA 1 106 ILE H . . 3.770 2.930 2.601 3.497 . 0 0 "[ . 1 . 2]" 1
1322 1 100 TYR HA 1 106 ILE MD . . 4.960 4.208 2.366 4.921 . 0 0 "[ . 1 . 2]" 1
1323 1 100 TYR HA 1 106 ILE MG . . 4.300 3.794 3.285 4.379 0.079 10 0 "[ . 1 . 2]" 1
1324 1 100 TYR HA 1 107 GLU H . . 4.930 4.515 4.162 4.888 . 0 0 "[ . 1 . 2]" 1
1325 1 100 TYR HB2 1 101 LYS H . . 4.480 3.897 3.467 4.315 . 0 0 "[ . 1 . 2]" 1
1326 1 100 TYR HB3 1 101 LYS H . . 3.860 2.854 2.276 3.528 . 0 0 "[ . 1 . 2]" 1
1327 1 100 TYR HB3 1 103 GLY H . . 4.440 4.324 3.753 4.516 0.076 16 0 "[ . 1 . 2]" 1
1328 1 100 TYR HB3 1 104 LYS H . . 4.280 3.731 3.073 4.341 0.061 7 0 "[ . 1 . 2]" 1
1329 1 100 TYR HB3 1 105 GLU HA . . 5.020 3.789 3.561 4.209 . 0 0 "[ . 1 . 2]" 1
1330 1 100 TYR QR 1 105 GLU HA . . 3.830 2.826 2.321 3.283 . 0 0 "[ . 1 . 2]" 1
1331 1 100 TYR QR 1 105 GLU HB2 . . 4.140 2.520 2.217 3.271 . 0 0 "[ . 1 . 2]" 1
1332 1 100 TYR QR 1 105 GLU HB3 . . 4.360 3.898 3.588 4.410 0.050 18 0 "[ . 1 . 2]" 1
1333 1 100 TYR QR 1 105 GLU QG . . 4.960 3.254 2.636 3.954 . 0 0 "[ . 1 . 2]" 1
1334 1 100 TYR QD 1 101 LYS H . . 5.060 4.089 3.537 4.699 . 0 0 "[ . 1 . 2]" 1
1335 1 100 TYR QD 1 104 LYS H . . 4.720 4.114 3.370 4.803 0.083 12 0 "[ . 1 . 2]" 1
1336 1 100 TYR QD 1 104 LYS HA . . 5.490 3.401 2.297 4.260 . 0 0 "[ . 1 . 2]" 1
1337 1 100 TYR QD 1 105 GLU H . . 3.930 3.258 2.262 4.020 0.090 8 0 "[ . 1 . 2]" 1
1338 1 100 TYR QD 1 106 ILE H . . 5.110 4.794 4.451 5.115 0.005 10 0 "[ . 1 . 2]" 1
1339 1 101 LYS H 1 101 LYS HB3 . . 3.960 2.705 2.404 3.124 . 0 0 "[ . 1 . 2]" 1
1340 1 101 LYS H 1 101 LYS HD3 . . 5.280 4.880 4.523 5.560 0.280 6 0 "[ . 1 . 2]" 1
1341 1 101 LYS H 1 101 LYS QG . . 4.350 4.025 3.956 4.075 . 0 0 "[ . 1 . 2]" 1
1342 1 101 LYS H 1 104 LYS H . . 3.730 2.927 2.370 3.429 . 0 0 "[ . 1 . 2]" 1
1343 1 101 LYS H 1 105 GLU HA . . 4.320 3.746 3.222 4.230 . 0 0 "[ . 1 . 2]" 1
1344 1 101 LYS H 1 106 ILE MG . . 4.570 3.223 2.500 4.375 . 0 0 "[ . 1 . 2]" 1
1345 1 101 LYS HA 1 101 LYS HD2 . . 4.150 3.786 2.170 4.318 0.168 6 0 "[ . 1 . 2]" 1
1346 1 101 LYS HA 1 101 LYS HD3 . . 4.540 4.025 2.762 4.590 0.050 14 0 "[ . 1 . 2]" 1
1347 1 101 LYS HA 1 101 LYS QG . . 3.780 2.243 2.014 2.840 . 0 0 "[ . 1 . 2]" 1
1348 1 101 LYS HA 1 102 ASN H . . 2.950 2.749 2.387 3.013 0.063 13 0 "[ . 1 . 2]" 1
1349 1 101 LYS HB2 1 101 LYS HD2 . . 4.230 3.091 2.389 3.600 . 0 0 "[ . 1 . 2]" 1
1350 1 101 LYS HB2 1 101 LYS HD3 . . 3.710 2.463 2.157 4.013 0.303 6 0 "[ . 1 . 2]" 1
1351 1 101 LYS HB2 1 102 ASN H . . 4.850 3.730 3.511 4.079 . 0 0 "[ . 1 . 2]" 1
1352 1 101 LYS HB2 1 106 ILE MG . . 4.940 2.304 2.145 2.961 . 0 0 "[ . 1 . 2]" 1
1353 1 101 LYS HB3 1 106 ILE MG . . 3.160 2.955 2.275 4.092 0.932 1 1 "[+ . 1 . 2]" 1
1354 1 101 LYS HD2 1 102 ASN H . . 4.540 4.164 2.650 4.607 0.067 20 0 "[ . 1 . 2]" 1
1355 1 101 LYS HD2 1 102 ASN HD21 . . 5.250 4.424 3.184 5.315 0.065 10 0 "[ . 1 . 2]" 1
1356 1 101 LYS HD3 1 102 ASN H . . 5.080 4.349 1.995 4.989 . 0 0 "[ . 1 . 2]" 1
1357 1 101 LYS HD3 1 102 ASN HD21 . . 4.910 4.730 3.320 4.991 0.081 19 0 "[ . 1 . 2]" 1
1358 1 101 LYS HE2 1 102 ASN HD22 . . 5.050 3.409 2.470 4.743 . 0 0 "[ . 1 . 2]" 1
1359 1 101 LYS HE3 1 102 ASN HD22 . . 5.070 4.091 2.260 5.132 0.062 17 0 "[ . 1 . 2]" 1
1360 1 101 LYS HE3 1 106 ILE MD . . 5.450 4.597 3.836 5.358 . 0 0 "[ . 1 . 2]" 1
1361 1 101 LYS QG 1 102 ASN H . . 4.690 1.886 1.617 2.487 . 0 0 "[ . 1 . 2]" 1
1362 1 101 LYS QG 1 102 ASN HB3 . . 4.900 3.988 3.467 4.861 . 0 0 "[ . 1 . 2]" 1
1363 1 101 LYS QG 1 102 ASN HD21 . . 5.120 2.337 1.704 4.962 . 0 0 "[ . 1 . 2]" 1
1364 1 102 ASN H 1 102 ASN HD21 . . 4.340 2.324 1.836 3.791 . 0 0 "[ . 1 . 2]" 1
1365 1 102 ASN H 1 103 GLY H . . 3.800 3.832 3.260 3.892 0.092 4 0 "[ . 1 . 2]" 1
1366 1 102 ASN H 1 104 LYS H . . 5.270 4.743 4.075 5.252 . 0 0 "[ . 1 . 2]" 1
1367 1 102 ASN HA 1 103 GLY H . . 3.380 2.429 2.186 3.091 . 0 0 "[ . 1 . 2]" 1
1368 1 102 ASN HB2 1 102 ASN HD21 . . 3.570 3.371 2.240 3.643 0.073 12 0 "[ . 1 . 2]" 1
1369 1 102 ASN HB2 1 103 GLY H . . 4.540 4.246 3.972 4.582 0.042 1 0 "[ . 1 . 2]" 1
1370 1 102 ASN HB3 1 102 ASN HD21 . . 3.660 2.671 2.249 3.618 . 0 0 "[ . 1 . 2]" 1
1371 1 102 ASN HB3 1 103 GLY H . . 4.850 4.555 4.216 4.743 . 0 0 "[ . 1 . 2]" 1
1372 1 103 GLY H 1 104 LYS H . . 3.180 2.757 2.168 3.188 0.008 16 0 "[ . 1 . 2]" 1
1373 1 104 LYS H 1 104 LYS HB2 . . 3.210 3.553 2.931 4.032 0.822 13 9 "[ * . * 1**+*-* * 2]" 1
1374 1 104 LYS H 1 104 LYS QD . . 4.580 4.256 2.803 4.662 0.082 9 0 "[ . 1 . 2]" 1
1375 1 104 LYS H 1 104 LYS QG . . 4.380 3.458 2.420 4.234 . 0 0 "[ . 1 . 2]" 1
1376 1 104 LYS H 1 105 GLU H . . 5.230 4.240 4.017 4.426 . 0 0 "[ . 1 . 2]" 1
1377 1 104 LYS H 1 106 ILE MG . . 5.500 4.489 3.391 5.207 . 0 0 "[ . 1 . 2]" 1
1378 1 104 LYS HA 1 104 LYS QD . . 3.830 3.062 2.111 3.947 0.117 2 0 "[ . 1 . 2]" 1
1379 1 104 LYS HA 1 104 LYS QG . . 3.970 2.876 2.240 3.418 . 0 0 "[ . 1 . 2]" 1
1380 1 104 LYS HA 1 105 GLU H . . 2.660 2.462 2.137 2.638 . 0 0 "[ . 1 . 2]" 1
1381 1 104 LYS HB3 1 105 GLU H . . 2.980 3.232 2.107 3.850 0.870 2 9 "[ + . * 1****** - 2]" 1
1382 1 104 LYS QD 1 105 GLU H . . 4.450 2.711 1.752 4.553 0.103 8 0 "[ . 1 . 2]" 1
1383 1 104 LYS QE 1 104 LYS QG . . 3.300 2.342 2.103 2.872 . 0 0 "[ . 1 . 2]" 1
1384 1 104 LYS QE 1 106 ILE MG . . 5.330 4.420 1.865 5.447 0.117 19 0 "[ . 1 . 2]" 1
1385 1 104 LYS QG 1 105 GLU H . . 4.390 3.522 2.853 4.063 . 0 0 "[ . 1 . 2]" 1
1386 1 105 GLU H 1 105 GLU HB2 . . 3.260 2.488 2.171 3.224 . 0 0 "[ . 1 . 2]" 1
1387 1 105 GLU H 1 105 GLU HB3 . . 3.300 2.537 2.154 2.696 . 0 0 "[ . 1 . 2]" 1
1388 1 105 GLU HA 1 105 GLU QG . . 3.350 2.438 2.280 2.723 . 0 0 "[ . 1 . 2]" 1
1389 1 105 GLU HA 1 106 ILE H . . 2.820 2.303 2.203 2.444 . 0 0 "[ . 1 . 2]" 1
1390 1 105 GLU HA 1 106 ILE MG . . 4.430 3.923 3.585 4.193 . 0 0 "[ . 1 . 2]" 1
1391 1 105 GLU HA 1 107 GLU H . . 3.830 3.810 3.539 3.906 0.076 13 0 "[ . 1 . 2]" 1
1392 1 105 GLU HB3 1 107 GLU H . . 5.020 4.846 4.253 5.091 0.071 6 0 "[ . 1 . 2]" 1
1393 1 105 GLU QG 1 106 ILE H . . 3.650 2.580 2.309 2.845 . 0 0 "[ . 1 . 2]" 1
1394 1 105 GLU QG 1 107 GLU H . . 3.680 2.531 1.998 2.791 . 0 0 "[ . 1 . 2]" 1
1395 1 106 ILE H 1 106 ILE HB . . 4.040 3.783 3.702 3.869 . 0 0 "[ . 1 . 2]" 1
1396 1 106 ILE H 1 106 ILE MD . . 3.870 3.667 2.152 3.981 0.111 19 0 "[ . 1 . 2]" 1
1397 1 106 ILE H 1 106 ILE HG12 . . 3.670 2.600 2.298 3.732 0.062 2 0 "[ . 1 . 2]" 1
1398 1 106 ILE H 1 106 ILE HG13 . . 3.880 2.801 2.230 3.770 . 0 0 "[ . 1 . 2]" 1
1399 1 106 ILE H 1 106 ILE MG . . 3.380 3.090 2.622 3.268 . 0 0 "[ . 1 . 2]" 1
1400 1 106 ILE H 1 107 GLU H . . 2.890 1.947 1.799 2.133 . 0 0 "[ . 1 . 2]" 1
1401 1 106 ILE HA 1 106 ILE HB . . 3.010 2.468 2.338 2.525 . 0 0 "[ . 1 . 2]" 1
1402 1 106 ILE HA 1 106 ILE MD . . 4.280 4.090 3.745 4.238 . 0 0 "[ . 1 . 2]" 1
1403 1 106 ILE HA 1 106 ILE MG . . 2.990 2.267 2.183 2.362 . 0 0 "[ . 1 . 2]" 1
1404 1 106 ILE HB 1 106 ILE MD . . 3.150 2.449 2.184 3.214 0.064 1 0 "[ . 1 . 2]" 1
1405 1 106 ILE MD 1 106 ILE MG . . 3.010 2.255 2.004 3.114 0.104 2 0 "[ . 1 . 2]" 1
1406 1 106 ILE MD 1 107 GLU H . . 4.670 4.127 3.129 4.697 0.027 4 0 "[ . 1 . 2]" 1
1407 1 106 ILE MD 1 128 TYR HB3 . . 4.710 4.295 3.390 4.815 0.105 19 0 "[ . 1 . 2]" 1
1408 1 106 ILE MD 1 128 TYR QD . . 4.050 3.413 2.881 3.925 . 0 0 "[ . 1 . 2]" 1
1409 1 106 ILE MD 1 128 TYR QE . . 4.010 2.984 2.143 4.099 0.089 17 0 "[ . 1 . 2]" 1
1410 1 106 ILE HG12 1 106 ILE MG . . 3.290 2.482 2.214 3.254 . 0 0 "[ . 1 . 2]" 1
1411 1 106 ILE HG12 1 107 GLU HB2 . . 5.100 4.365 2.652 5.172 0.072 2 0 "[ . 1 . 2]" 1
1412 1 106 ILE HG13 1 107 GLU H . . 4.140 3.016 2.374 4.355 0.215 17 0 "[ . 1 . 2]" 1
1413 1 106 ILE HG13 1 107 GLU HB2 . . 4.470 3.113 2.468 4.386 . 0 0 "[ . 1 . 2]" 1
1414 1 106 ILE HG13 1 128 TYR QE . . 5.330 3.877 2.306 5.125 . 0 0 "[ . 1 . 2]" 1
1415 1 106 ILE MG 1 128 TYR QE . . 5.470 5.154 4.098 5.572 0.102 2 0 "[ . 1 . 2]" 1
1416 1 107 GLU H 1 107 GLU HB2 . . 4.020 3.139 2.919 3.321 . 0 0 "[ . 1 . 2]" 1
1417 1 107 GLU H 1 107 GLU HB3 . . 4.160 2.820 2.526 3.159 . 0 0 "[ . 1 . 2]" 1
1418 1 107 GLU H 1 107 GLU QG . . 4.890 4.236 4.029 4.398 . 0 0 "[ . 1 . 2]" 1
1419 1 107 GLU H 1 108 LYS H . . 4.700 4.352 4.151 4.444 . 0 0 "[ . 1 . 2]" 1
1420 1 107 GLU HA 1 107 GLU QG . . 3.090 2.832 2.285 3.168 0.078 10 0 "[ . 1 . 2]" 1
1421 1 107 GLU HA 1 108 LYS H . . 2.630 2.311 2.093 2.519 . 0 0 "[ . 1 . 2]" 1
1422 1 107 GLU HA 1 108 LYS HB2 . . 5.050 4.592 3.977 5.519 0.469 17 0 "[ . 1 . 2]" 1
1423 1 107 GLU HB2 1 108 LYS H . . 5.040 4.114 3.855 4.436 . 0 0 "[ . 1 . 2]" 1
1424 1 107 GLU HB3 1 128 TYR QE . . 4.100 3.663 2.745 4.184 0.084 6 0 "[ . 1 . 2]" 1
1425 1 107 GLU QG 1 108 LYS H . . 3.550 2.593 2.037 3.369 . 0 0 "[ . 1 . 2]" 1
1426 1 107 GLU QG 1 108 LYS HA . . 5.060 4.138 3.255 5.171 0.111 3 0 "[ . 1 . 2]" 1
1427 1 107 GLU QG 1 109 LYS QG . . 4.690 3.502 2.163 4.783 0.093 8 0 "[ . 1 . 2]" 1
1428 1 107 GLU QG 1 126 LEU QD . . 3.920 2.422 2.006 3.264 . 0 0 "[ . 1 . 2]" 1
1429 1 107 GLU HG2 1 109 LYS H . . 5.470 4.376 2.782 5.549 0.079 16 0 "[ . 1 . 2]" 1
1430 1 108 LYS H 1 108 LYS HB2 . . 3.950 3.400 2.979 3.842 . 0 0 "[ . 1 . 2]" 1
1431 1 108 LYS H 1 108 LYS HB3 . . 3.750 3.098 2.598 3.659 . 0 0 "[ . 1 . 2]" 1
1432 1 108 LYS H 1 109 LYS H . . 4.560 3.032 2.081 4.012 . 0 0 "[ . 1 . 2]" 1
1433 1 108 LYS HA 1 108 LYS HB3 . . 2.990 2.846 2.305 3.064 0.074 12 0 "[ . 1 . 2]" 1
1434 1 108 LYS HA 1 108 LYS QG . . 3.580 2.678 2.240 3.429 . 0 0 "[ . 1 . 2]" 1
1435 1 108 LYS HA 1 109 LYS H . . 2.860 2.558 2.155 2.942 0.082 10 0 "[ . 1 . 2]" 1
1436 1 108 LYS HA 1 109 LYS HA . . 4.980 4.551 4.305 4.836 . 0 0 "[ . 1 . 2]" 1
1437 1 109 LYS H 1 109 LYS HB2 . . 3.510 3.117 2.090 4.051 0.541 6 3 "[ -+ 1 . *2]" 1
1438 1 109 LYS H 1 109 LYS QD . . 4.770 4.479 3.768 4.850 0.080 17 0 "[ . 1 . 2]" 1
1439 1 109 LYS H 1 109 LYS QG . . 4.360 3.079 2.006 4.337 . 0 0 "[ . 1 . 2]" 1
1440 1 109 LYS HA 1 109 LYS QG . . 3.710 2.773 2.055 3.472 . 0 0 "[ . 1 . 2]" 1
1441 1 109 LYS HA 1 110 SER H . . 2.800 2.321 2.133 2.562 . 0 0 "[ . 1 . 2]" 1
1442 1 109 LYS HA 1 111 LEU QD . . 5.440 5.071 4.290 5.405 . 0 0 "[ . 1 . 2]" 1
1443 1 109 LYS HB2 1 109 LYS QE . . 5.130 3.477 2.673 4.142 . 0 0 "[ . 1 . 2]" 1
1444 1 109 LYS HB2 1 109 LYS QG . . 2.620 2.371 2.118 2.575 . 0 0 "[ . 1 . 2]" 1
1445 1 109 LYS HB3 1 109 LYS QE . . 4.680 3.274 2.029 4.190 . 0 0 "[ . 1 . 2]" 1
1446 1 109 LYS HB3 1 110 SER H . . 3.940 3.708 2.284 4.151 0.211 9 0 "[ . 1 . 2]" 1
1447 1 109 LYS QD 1 110 SER H . . 4.130 3.798 2.609 4.233 0.103 20 0 "[ . 1 . 2]" 1
1448 1 109 LYS QD 1 111 LEU QD . . 3.830 2.969 2.067 3.855 0.025 12 0 "[ . 1 . 2]" 1
1449 1 109 LYS QD 1 126 LEU QD . . 3.250 2.876 1.959 3.301 0.051 18 0 "[ . 1 . 2]" 1
1450 1 109 LYS QE 1 111 LEU QD . . 3.980 2.892 1.980 3.782 . 0 0 "[ . 1 . 2]" 1
1451 1 109 LYS QE 1 126 LEU QD . . 3.820 2.174 1.861 2.979 . 0 0 "[ . 1 . 2]" 1
1452 1 109 LYS QE 1 126 LEU HG . . 4.810 4.163 2.505 4.754 . 0 0 "[ . 1 . 2]" 1
1453 1 109 LYS QG 1 110 SER H . . 4.260 3.463 1.871 4.347 0.087 12 0 "[ . 1 . 2]" 1
1454 1 109 LYS QG 1 126 LEU QD . . 3.880 2.981 1.954 3.851 . 0 0 "[ . 1 . 2]" 1
1455 1 110 SER H 1 110 SER QB . . 3.320 2.828 2.474 3.056 . 0 0 "[ . 1 . 2]" 1
1456 1 110 SER HA 1 111 LEU H . . 2.810 2.389 2.187 2.521 . 0 0 "[ . 1 . 2]" 1
1457 1 110 SER HA 1 111 LEU QD . . 5.000 3.424 2.423 4.389 . 0 0 "[ . 1 . 2]" 1
1458 1 110 SER HA 1 111 LEU HG . . 4.730 3.868 3.092 4.806 0.076 20 0 "[ . 1 . 2]" 1
1459 1 110 SER QB 1 111 LEU H . . 3.990 3.079 2.311 3.570 . 0 0 "[ . 1 . 2]" 1
1460 1 111 LEU H 1 111 LEU HB2 . . 3.620 2.803 2.655 2.968 . 0 0 "[ . 1 . 2]" 1
1461 1 111 LEU H 1 111 LEU QD . . 4.060 3.021 1.908 3.670 . 0 0 "[ . 1 . 2]" 1
1462 1 111 LEU H 1 112 VAL H . . 5.050 4.295 4.051 4.450 . 0 0 "[ . 1 . 2]" 1
1463 1 111 LEU HA 1 111 LEU QD . . 3.200 2.593 2.209 3.126 . 0 0 "[ . 1 . 2]" 1
1464 1 111 LEU HA 1 111 LEU HG . . 3.390 3.155 2.536 3.462 0.072 5 0 "[ . 1 . 2]" 1
1465 1 111 LEU HA 1 112 VAL H . . 2.810 2.456 2.165 2.735 . 0 0 "[ . 1 . 2]" 1
1466 1 111 LEU HA 1 112 VAL HB . . 4.700 4.244 3.671 4.738 0.038 3 0 "[ . 1 . 2]" 1
1467 1 111 LEU HB2 1 112 VAL H . . 4.230 3.177 2.368 4.040 . 0 0 "[ . 1 . 2]" 1
1468 1 111 LEU HB2 1 113 PHE QD . . 5.500 4.327 3.381 5.570 0.070 16 0 "[ . 1 . 2]" 1
1469 1 111 LEU HB3 1 112 VAL H . . 3.820 2.335 1.692 3.033 . 0 0 "[ . 1 . 2]" 1
1470 1 111 LEU HB3 1 113 PHE QD . . 5.500 4.213 2.962 5.430 . 0 0 "[ . 1 . 2]" 1
1471 1 111 LEU QD 1 112 VAL H . . 4.000 3.571 3.383 3.859 . 0 0 "[ . 1 . 2]" 1
1472 1 111 LEU QD 1 113 PHE QD . . 4.580 4.083 2.977 4.603 0.023 16 0 "[ . 1 . 2]" 1
1473 1 111 LEU QD 1 123 ASP HA . . 4.010 3.207 1.938 4.013 0.003 16 0 "[ . 1 . 2]" 1
1474 1 111 LEU QD 1 123 ASP HB3 . . 4.010 2.662 2.110 3.964 . 0 0 "[ . 1 . 2]" 1
1475 1 112 VAL H 1 112 VAL HB . . 3.210 3.218 2.664 3.304 0.094 15 0 "[ . 1 . 2]" 1
1476 1 112 VAL H 1 112 VAL QG . . 3.500 2.491 2.197 3.166 . 0 0 "[ . 1 . 2]" 1
1477 1 112 VAL HA 1 112 VAL QG . . 3.280 2.284 2.175 2.394 . 0 0 "[ . 1 . 2]" 1
1478 1 112 VAL HA 1 113 PHE H . . 2.970 2.256 2.119 2.662 . 0 0 "[ . 1 . 2]" 1
1479 1 112 VAL HA 1 113 PHE HA . . 5.260 4.481 4.404 4.648 . 0 0 "[ . 1 . 2]" 1
1480 1 112 VAL QG 1 113 PHE H . . 3.630 2.880 2.296 3.723 0.093 11 0 "[ . 1 . 2]" 1
1481 1 112 VAL QG 1 114 ARG H . . 5.500 4.707 3.819 5.551 0.051 11 0 "[ . 1 . 2]" 1
1482 1 112 VAL QG 1 114 ARG QD . . 4.130 3.639 2.455 4.240 0.110 9 0 "[ . 1 . 2]" 1
1483 1 112 VAL QG 1 114 ARG QG . . 3.890 2.890 2.010 3.587 . 0 0 "[ . 1 . 2]" 1
1484 1 113 PHE H 1 113 PHE HB3 . . 4.020 3.606 2.790 3.906 . 0 0 "[ . 1 . 2]" 1
1485 1 113 PHE HA 1 114 ARG H . . 3.190 2.439 2.066 2.649 . 0 0 "[ . 1 . 2]" 1
1486 1 113 PHE HA 1 114 ARG QG . . 4.060 3.504 2.866 4.017 . 0 0 "[ . 1 . 2]" 1
1487 1 113 PHE HB2 1 114 ARG H . . 4.400 3.850 3.145 4.474 0.074 17 0 "[ . 1 . 2]" 1
1488 1 114 ARG H 1 114 ARG QB . . 3.820 2.812 2.571 3.159 . 0 0 "[ . 1 . 2]" 1
1489 1 114 ARG H 1 114 ARG QD . . 5.170 4.640 2.570 5.069 . 0 0 "[ . 1 . 2]" 1
1490 1 114 ARG H 1 114 ARG QG . . 4.490 3.157 2.868 3.602 . 0 0 "[ . 1 . 2]" 1
1491 1 114 ARG HA 1 114 ARG QG . . 3.950 2.560 2.242 3.023 . 0 0 "[ . 1 . 2]" 1
1492 1 114 ARG HA 1 115 ASP QB . . 5.080 4.299 3.851 4.905 . 0 0 "[ . 1 . 2]" 1
1493 1 114 ARG QB 1 114 ARG QD . . 3.370 2.301 2.073 2.643 . 0 0 "[ . 1 . 2]" 1
1494 1 114 ARG QB 1 115 ASP H . . 3.640 2.592 1.775 3.531 . 0 0 "[ . 1 . 2]" 1
1495 1 114 ARG QB 1 115 ASP QB . . 5.040 4.002 3.285 4.572 . 0 0 "[ . 1 . 2]" 1
1496 1 114 ARG QG 1 115 ASP H . . 4.880 4.048 3.257 4.643 . 0 0 "[ . 1 . 2]" 1
1497 1 115 ASP H 1 115 ASP QB . . 3.470 2.637 2.020 3.198 . 0 0 "[ . 1 . 2]" 1
1498 1 115 ASP H 1 116 GLY H . . 5.250 4.362 3.336 4.742 . 0 0 "[ . 1 . 2]" 1
1499 1 115 ASP HA 1 116 GLY H . . 3.080 2.313 2.102 2.781 . 0 0 "[ . 1 . 2]" 1
1500 1 115 ASP HA 1 116 GLY HA3 . . 4.560 4.458 4.107 4.648 0.088 4 0 "[ . 1 . 2]" 1
1501 1 115 ASP HA 1 117 LYS H . . 4.380 4.376 3.949 4.471 0.091 17 0 "[ . 1 . 2]" 1
1502 1 116 GLY H 1 117 LYS H . . 3.810 2.958 1.805 3.842 0.032 5 0 "[ . 1 . 2]" 1
1503 1 116 GLY HA2 1 117 LYS QG . . 4.570 4.665 3.588 5.375 0.805 6 4 "[ * .+ 1 * . - 2]" 1
1504 1 117 LYS H 1 117 LYS HB2 . . 3.700 2.896 2.167 3.800 0.100 5 0 "[ . 1 . 2]" 1
1505 1 117 LYS H 1 117 LYS HB3 . . 3.410 3.699 3.369 3.799 0.389 11 0 "[ . 1 . 2]" 1
1506 1 117 LYS H 1 117 LYS QG . . 5.000 3.690 2.716 4.083 . 0 0 "[ . 1 . 2]" 1
1507 1 117 LYS H 1 118 GLU H . . 5.040 3.932 2.096 4.535 . 0 0 "[ . 1 . 2]" 1
1508 1 117 LYS HA 1 117 LYS HD2 . . 3.620 3.043 2.208 3.715 0.095 11 0 "[ . 1 . 2]" 1
1509 1 117 LYS HA 1 117 LYS HD3 . . 3.640 2.659 1.925 3.738 0.098 11 0 "[ . 1 . 2]" 1
1510 1 117 LYS HA 1 118 GLU H . . 2.910 2.425 2.031 3.003 0.093 5 0 "[ . 1 . 2]" 1
1511 1 117 LYS HB3 1 118 GLU H . . 5.230 3.142 1.909 4.692 . 0 0 "[ . 1 . 2]" 1
1512 1 117 LYS HD3 1 118 GLU H . . 4.110 3.624 2.010 5.083 0.973 7 2 "[ . +- 1 . 2]" 1
1513 1 117 LYS QG 1 118 GLU H . . 5.380 4.125 3.650 4.861 . 0 0 "[ . 1 . 2]" 1
1514 1 118 GLU H 1 118 GLU HB2 . . 3.980 3.262 2.067 3.858 . 0 0 "[ . 1 . 2]" 1
1515 1 118 GLU H 1 118 GLU HB3 . . 3.620 2.937 2.123 4.048 0.428 13 0 "[ . 1 . 2]" 1
1516 1 118 GLU H 1 118 GLU HG2 . . 4.000 3.000 2.052 4.353 0.353 13 0 "[ . 1 . 2]" 1
1517 1 118 GLU H 1 118 GLU HG3 . . 4.500 3.219 2.035 4.556 0.056 5 0 "[ . 1 . 2]" 1
1518 1 118 GLU H 1 119 ILE MG . . 5.500 4.034 2.843 4.789 . 0 0 "[ . 1 . 2]" 1
1519 1 118 GLU HA 1 118 GLU HG2 . . 3.800 3.422 2.332 3.875 0.075 3 0 "[ . 1 . 2]" 1
1520 1 118 GLU HA 1 118 GLU HG3 . . 3.740 3.383 2.560 3.877 0.137 9 0 "[ . 1 . 2]" 1
1521 1 118 GLU HA 1 119 ILE HA . . 4.610 4.475 4.383 4.581 . 0 0 "[ . 1 . 2]" 1
1522 1 118 GLU HA 1 119 ILE HG12 . . 5.190 5.240 4.939 5.275 0.085 6 0 "[ . 1 . 2]" 1
1523 1 118 GLU HA 1 119 ILE MG . . 4.500 3.944 3.485 4.510 0.010 3 0 "[ . 1 . 2]" 1
1524 1 118 GLU HB2 1 119 ILE MG . . 5.200 4.950 4.256 5.316 0.116 20 0 "[ . 1 . 2]" 1
1525 1 119 ILE H 1 120 SER QB . . 5.450 4.878 4.282 5.258 . 0 0 "[ . 1 . 2]" 1
1526 1 119 ILE HA 1 119 ILE MD . . 3.580 3.681 3.665 3.700 0.120 13 0 "[ . 1 . 2]" 1
1527 1 119 ILE HA 1 119 ILE HG12 . . 4.150 4.209 4.113 4.231 0.081 16 0 "[ . 1 . 2]" 1
1528 1 119 ILE HA 1 119 ILE HG13 . . 3.860 3.657 3.583 3.736 . 0 0 "[ . 1 . 2]" 1
1529 1 119 ILE HA 1 119 ILE MG . . 3.450 2.359 2.185 2.502 . 0 0 "[ . 1 . 2]" 1
1530 1 119 ILE HA 1 120 SER H . . 2.610 2.487 2.279 2.678 0.068 13 0 "[ . 1 . 2]" 1
1531 1 119 ILE HB 1 119 ILE MD . . 2.800 2.234 2.055 2.420 . 0 0 "[ . 1 . 2]" 1
1532 1 119 ILE HB 1 120 SER H . . 2.960 2.316 1.869 2.610 . 0 0 "[ . 1 . 2]" 1
1533 1 119 ILE MD 1 120 SER H . . 3.070 2.851 2.390 3.096 0.026 6 0 "[ . 1 . 2]" 1
1534 1 119 ILE MD 1 120 SER QB . . 4.890 4.096 3.795 4.338 . 0 0 "[ . 1 . 2]" 1
1535 1 119 ILE MD 1 121 THR H . . 4.150 3.130 2.348 4.242 0.092 8 0 "[ . 1 . 2]" 1
1536 1 119 ILE HG12 1 119 ILE MG . . 3.700 2.185 2.146 2.263 . 0 0 "[ . 1 . 2]" 1
1537 1 119 ILE HG12 1 120 SER H . . 4.790 4.631 4.171 4.874 0.084 6 0 "[ . 1 . 2]" 1
1538 1 119 ILE HG13 1 120 SER H . . 4.260 4.257 3.629 4.350 0.090 1 0 "[ . 1 . 2]" 1
1539 1 119 ILE MG 1 120 SER H . . 3.850 3.715 3.317 3.924 0.074 8 0 "[ . 1 . 2]" 1
1540 1 120 SER H 1 120 SER QB . . 3.700 3.048 2.572 3.410 . 0 0 "[ . 1 . 2]" 1
1541 1 120 SER H 1 121 THR H . . 4.300 3.246 1.653 4.367 0.067 5 0 "[ . 1 . 2]" 1
1542 1 120 SER HA 1 121 THR H . . 2.950 2.553 2.197 3.042 0.092 2 0 "[ . 1 . 2]" 1
1543 1 120 SER QB 1 121 THR H . . 4.140 3.419 2.521 3.903 . 0 0 "[ . 1 . 2]" 1
1544 1 121 THR H 1 121 THR HB . . 4.000 3.609 3.297 3.915 . 0 0 "[ . 1 . 2]" 1
1545 1 121 THR H 1 121 THR MG . . 3.540 3.020 2.180 3.596 0.056 11 0 "[ . 1 . 2]" 1
1546 1 121 THR HA 1 121 THR MG . . 3.310 2.384 2.124 3.283 . 0 0 "[ . 1 . 2]" 1
1547 1 121 THR HA 1 122 ASP H . . 3.200 2.578 2.020 3.266 0.066 5 0 "[ . 1 . 2]" 1
1548 1 121 THR HA 1 122 ASP HA . . 4.340 4.368 4.166 4.434 0.094 5 0 "[ . 1 . 2]" 1
1549 1 121 THR HA 1 123 ASP H . . 4.020 3.929 3.242 4.115 0.095 7 0 "[ . 1 . 2]" 1
1550 1 121 THR MG 1 122 ASP H . . 5.010 3.947 2.654 4.586 . 0 0 "[ . 1 . 2]" 1
1551 1 122 ASP H 1 122 ASP HB2 . . 3.700 2.999 2.342 3.948 0.248 9 0 "[ . 1 . 2]" 1
1552 1 122 ASP H 1 122 ASP HB3 . . 3.910 3.253 2.744 3.902 . 0 0 "[ . 1 . 2]" 1
1553 1 122 ASP H 1 123 ASP H . . 3.660 2.741 1.815 3.612 . 0 0 "[ . 1 . 2]" 1
1554 1 122 ASP HA 1 123 ASP H . . 3.540 2.790 2.363 3.450 . 0 0 "[ . 1 . 2]" 1
1555 1 123 ASP H 1 123 ASP HB2 . . 3.610 2.503 2.018 3.905 0.295 12 0 "[ . 1 . 2]" 1
1556 1 123 ASP H 1 123 ASP HB3 . . 4.020 3.257 2.676 3.823 . 0 0 "[ . 1 . 2]" 1
1557 1 123 ASP H 1 124 LEU H . . 3.480 2.832 2.546 3.192 . 0 0 "[ . 1 . 2]" 1
1558 1 123 ASP HB2 1 124 LEU H . . 3.870 3.209 2.087 3.946 0.076 7 0 "[ . 1 . 2]" 1
1559 1 123 ASP HB3 1 124 LEU H . . 3.870 3.160 2.213 3.906 0.036 13 0 "[ . 1 . 2]" 1
1560 1 123 ASP HB3 1 124 LEU QB . . 4.960 3.831 2.604 5.363 0.403 6 0 "[ . 1 . 2]" 1
1561 1 124 LEU H 1 124 LEU QB . . 3.920 2.532 2.283 2.797 . 0 0 "[ . 1 . 2]" 1
1562 1 124 LEU H 1 124 LEU QD . . 5.050 3.673 2.415 4.065 . 0 0 "[ . 1 . 2]" 1
1563 1 124 LEU H 1 125 ASN H . . 4.450 4.074 3.556 4.408 . 0 0 "[ . 1 . 2]" 1
1564 1 124 LEU HA 1 124 LEU QD . . 3.190 2.152 1.930 2.824 . 0 0 "[ . 1 . 2]" 1
1565 1 124 LEU HA 1 125 ASN H . . 2.850 2.102 1.978 2.221 . 0 0 "[ . 1 . 2]" 1
1566 1 124 LEU HA 1 126 LEU QD . . 5.470 4.028 3.514 4.569 . 0 0 "[ . 1 . 2]" 1
1567 1 124 LEU QB 1 125 ASN H . . 4.010 3.631 2.960 3.827 . 0 0 "[ . 1 . 2]" 1
1568 1 124 LEU QD 1 125 ASN H . . 3.630 3.028 2.176 3.658 0.028 6 0 "[ . 1 . 2]" 1
1569 1 125 ASN H 1 125 ASN HB2 . . 3.660 3.427 2.961 3.759 0.099 3 0 "[ . 1 . 2]" 1
1570 1 125 ASN H 1 125 ASN HB3 . . 3.580 3.104 2.593 3.408 . 0 0 "[ . 1 . 2]" 1
1571 1 125 ASN H 1 126 LEU QD . . 3.780 3.309 2.850 3.727 . 0 0 "[ . 1 . 2]" 1
1572 1 125 ASN HA 1 125 ASN HD21 . . 4.210 3.503 2.236 4.274 0.064 16 0 "[ . 1 . 2]" 1
1573 1 125 ASN HA 1 126 LEU H . . 2.730 2.502 2.173 2.807 0.077 13 0 "[ . 1 . 2]" 1
1574 1 125 ASN HB2 1 126 LEU H . . 5.270 4.572 3.598 4.781 . 0 0 "[ . 1 . 2]" 1
1575 1 125 ASN HB3 1 126 LEU H . . 5.320 4.548 4.432 4.715 . 0 0 "[ . 1 . 2]" 1
1576 1 125 ASN HD21 1 126 LEU H . . 5.500 4.731 4.032 5.586 0.086 17 0 "[ . 1 . 2]" 1
1577 1 126 LEU H 1 126 LEU QD . . 4.330 3.405 2.928 3.793 . 0 0 "[ . 1 . 2]" 1
1578 1 126 LEU H 1 127 TYR H . . 4.690 4.420 4.026 4.641 . 0 0 "[ . 1 . 2]" 1
1579 1 126 LEU HA 1 126 LEU QD . . 3.020 2.218 2.094 2.394 . 0 0 "[ . 1 . 2]" 1
1580 1 126 LEU HA 1 127 TYR H . . 2.860 2.221 2.116 2.322 . 0 0 "[ . 1 . 2]" 1
1581 1 126 LEU HA 1 127 TYR HB3 . . 5.050 4.844 3.993 5.630 0.580 13 4 "[ . * 1 +-* 2]" 1
1582 1 126 LEU HB2 1 127 TYR H . . 4.420 4.183 3.856 4.470 0.050 2 0 "[ . 1 . 2]" 1
1583 1 126 LEU HB3 1 127 TYR H . . 3.810 3.198 2.756 3.808 . 0 0 "[ . 1 . 2]" 1
1584 1 126 LEU HB3 1 128 TYR QE . . 4.240 3.965 2.338 4.336 0.096 5 0 "[ . 1 . 2]" 1
1585 1 126 LEU QD 1 127 TYR H . . 3.870 3.621 3.259 3.839 . 0 0 "[ . 1 . 2]" 1
1586 1 126 LEU QD 1 128 TYR QE . . 3.980 2.888 2.037 3.805 . 0 0 "[ . 1 . 2]" 1
1587 1 127 TYR H 1 127 TYR HB2 . . 3.880 3.199 2.652 3.869 . 0 0 "[ . 1 . 2]" 1
1588 1 127 TYR H 1 127 TYR HB3 . . 3.650 3.226 2.644 3.912 0.262 13 0 "[ . 1 . 2]" 1
1589 1 127 TYR H 1 127 TYR QD . . 4.880 4.038 2.955 4.540 . 0 0 "[ . 1 . 2]" 1
1590 1 127 TYR H 1 128 TYR H . . 4.540 3.861 2.738 4.402 . 0 0 "[ . 1 . 2]" 1
1591 1 127 TYR H 1 128 TYR QE . . 5.470 4.832 3.747 5.559 0.089 7 0 "[ . 1 . 2]" 1
1592 1 127 TYR HA 1 128 TYR H . . 3.090 2.273 2.134 2.623 . 0 0 "[ . 1 . 2]" 1
1593 1 127 TYR HB2 1 128 TYR H . . 5.130 4.240 2.684 4.703 . 0 0 "[ . 1 . 2]" 1
1594 1 127 TYR HB3 1 128 TYR H . . 4.750 4.093 2.962 4.535 . 0 0 "[ . 1 . 2]" 1
1595 1 127 TYR QD 1 128 TYR H . . 4.830 3.851 2.208 4.916 0.086 13 0 "[ . 1 . 2]" 1
1596 1 128 TYR H 1 128 TYR HB2 . . 3.880 2.524 2.244 2.830 . 0 0 "[ . 1 . 2]" 1
1597 1 128 TYR H 1 128 TYR QD . . 3.950 3.535 2.684 4.027 0.077 9 0 "[ . 1 . 2]" 1
1598 1 128 TYR H 1 129 ASN H . . 4.660 4.424 4.139 4.667 0.007 7 0 "[ . 1 . 2]" 1
1599 1 128 TYR HA 1 129 ASN H . . 2.660 2.262 2.098 2.439 . 0 0 "[ . 1 . 2]" 1
1600 1 128 TYR HB2 1 129 ASN H . . 4.220 4.013 3.682 4.314 0.094 4 0 "[ . 1 . 2]" 1
1601 1 128 TYR HB3 1 129 ASN H . . 3.720 2.868 2.478 3.567 . 0 0 "[ . 1 . 2]" 1
1602 1 128 TYR QD 1 129 ASN H . . 4.730 3.357 2.485 4.199 . 0 0 "[ . 1 . 2]" 1
1603 1 129 ASN HA 1 129 ASN HD22 . . 5.280 5.108 3.698 5.384 0.104 3 0 "[ . 1 . 2]" 1
1604 1 129 ASN HB2 1 129 ASN HD22 . . 3.940 3.860 3.472 4.128 0.188 13 0 "[ . 1 . 2]" 1
1605 1 129 ASN HB3 1 129 ASN HD22 . . 4.060 3.739 3.479 4.123 0.063 10 0 "[ . 1 . 2]" 1
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