NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
589622 |
2mo5   |
19921 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mo5
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 1618
_Distance_constraint_stats_list.Viol_count 1851
_Distance_constraint_stats_list.Viol_total 2870.807
_Distance_constraint_stats_list.Viol_max 2.039
_Distance_constraint_stats_list.Viol_rms 0.0972
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0177
_Distance_constraint_stats_list.Viol_average_violations_only 0.1551
_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 7 HIS 0.000 0.000 . 0 "[ . 1]"
1 8 VAL 11.454 1.221 4 10 [*-*+******]
1 9 GLY 1.575 0.190 3 0 "[ . 1]"
1 10 THR 21.017 1.953 4 10 [***+-*****]
1 11 GLN 14.441 1.221 4 10 [*-*+******]
1 12 ALA 0.208 0.051 8 0 "[ . 1]"
1 13 PHE 0.611 0.119 5 0 "[ . 1]"
1 14 ASP 17.847 1.953 4 10 [***+-*****]
1 15 SER 2.554 0.236 9 0 "[ . 1]"
1 16 THR 0.936 0.380 6 0 "[ . 1]"
1 17 TRP 9.035 0.848 4 4 "[ +. * *-]"
1 18 LYS 6.195 0.618 3 2 "[- + . 1]"
1 19 VAL 4.896 1.338 4 3 "[ +. - *]"
1 20 ASP 0.062 0.022 1 0 "[ . 1]"
1 21 ARG 3.495 0.401 9 0 "[ . 1]"
1 22 SER 1.500 0.147 9 0 "[ . 1]"
1 23 GLU 5.317 0.717 9 3 "[ .-* +1]"
1 24 ASN 4.687 0.688 7 1 "[ . + 1]"
1 25 TYR 1.982 0.222 1 0 "[ . 1]"
1 26 ASP 1.224 0.393 2 0 "[ . 1]"
1 27 LYS 3.731 0.794 3 2 "[ + . - 1]"
1 28 PHE 0.104 0.049 6 0 "[ . 1]"
1 29 MET 8.152 0.583 8 2 "[ - + 1]"
1 30 GLU 10.307 0.894 6 4 "[ .+-**1]"
1 31 LYS 7.458 0.871 7 4 "[ * - + *1]"
1 32 MET 3.711 0.780 2 3 "[ + *- 1]"
1 33 GLY 0.612 0.088 2 0 "[ . 1]"
1 34 VAL 0.977 0.067 6 0 "[ . 1]"
1 35 ASN 2.129 0.218 8 0 "[ . 1]"
1 36 ILE 7.645 0.902 3 5 "[-*+ . * *]"
1 37 VAL 2.161 0.242 1 0 "[ . 1]"
1 38 LYS 5.552 0.375 2 0 "[ . 1]"
1 39 ARG 12.835 0.902 3 8 "[**+ .*-***]"
1 40 LYS 6.750 0.407 10 0 "[ . 1]"
1 41 LEU 7.291 0.375 2 0 "[ . 1]"
1 42 ALA 1.442 0.984 7 1 "[ . + 1]"
1 43 ALA 0.281 0.112 7 0 "[ . 1]"
1 44 HIS 2.028 0.114 10 0 "[ . 1]"
1 45 ASP 2.708 0.984 7 1 "[ . + 1]"
1 46 ASN 6.058 0.653 3 3 "[ +*. - 1]"
1 47 LEU 2.653 0.489 8 0 "[ . 1]"
1 48 LYS 5.559 0.690 3 2 "[- + . 1]"
1 49 LEU 10.259 0.848 4 6 "[* *+. * *-]"
1 50 THR 3.830 0.236 9 0 "[ . 1]"
1 51 ILE 1.654 0.136 2 0 "[ . 1]"
1 52 THR 0.899 0.114 5 0 "[ . 1]"
1 53 GLN 5.784 0.347 9 0 "[ . 1]"
1 54 GLU 2.362 0.239 5 0 "[ . 1]"
1 55 GLY 1.918 0.239 5 0 "[ . 1]"
1 56 ASN 25.778 2.039 8 10 [*****-*+**]
1 57 LYS 21.741 2.039 8 10 [*****-*+**]
1 58 PHE 2.103 0.163 8 0 "[ . 1]"
1 59 THR 1.389 0.163 8 0 "[ . 1]"
1 60 VAL 1.014 0.097 10 0 "[ . 1]"
1 61 LYS 1.899 0.214 3 0 "[ . 1]"
1 62 GLU 1.325 0.426 10 0 "[ . 1]"
1 63 SER 1.431 0.426 10 0 "[ . 1]"
1 64 SER 7.764 0.653 3 4 "[ +*. *- 1]"
1 65 ALA 3.054 0.596 4 1 "[ +. 1]"
1 66 PHE 1.860 0.396 7 0 "[ . 1]"
1 67 ARG 1.224 0.396 7 0 "[ . 1]"
1 68 ASN 0.076 0.039 9 0 "[ . 1]"
1 69 ILE 0.000 0.000 . 0 "[ . 1]"
1 70 GLU 3.000 0.699 7 1 "[ . + 1]"
1 71 VAL 2.192 0.699 7 1 "[ . + 1]"
1 72 VAL 0.000 0.000 . 0 "[ . 1]"
1 73 PHE 0.425 0.095 7 0 "[ . 1]"
1 74 GLU 1.850 0.095 7 0 "[ . 1]"
1 75 LEU 3.789 0.139 6 0 "[ . 1]"
1 76 GLY 1.453 0.114 7 0 "[ . 1]"
1 77 VAL 0.000 0.000 . 0 "[ . 1]"
1 78 THR 0.006 0.006 10 0 "[ . 1]"
1 79 PHE 0.030 0.030 1 0 "[ . 1]"
1 80 ASN 0.602 0.097 7 0 "[ . 1]"
1 81 TYR 1.032 0.189 10 0 "[ . 1]"
1 82 ASN 2.869 0.543 9 1 "[ . +1]"
1 83 LEU 5.201 0.908 8 2 "[ - . + 1]"
1 84 ALA 0.120 0.120 8 0 "[ . 1]"
1 85 ASP 1.027 0.908 8 1 "[ . + 1]"
1 86 GLY 0.089 0.089 6 0 "[ . 1]"
1 87 THR 4.371 0.896 2 1 "[ + . 1]"
1 88 GLU 8.962 0.873 7 4 "[ *. +-*1]"
1 89 LEU 7.022 0.543 9 1 "[ . +1]"
1 90 ARG 2.839 0.369 9 0 "[ . 1]"
1 91 GLY 1.768 0.221 4 0 "[ . 1]"
1 92 THR 0.442 0.079 6 0 "[ . 1]"
1 93 TRP 3.737 0.633 10 2 "[ . - +]"
1 94 SER 3.369 0.222 2 0 "[ . 1]"
1 95 LEU 0.370 0.256 6 0 "[ . 1]"
1 96 GLU 2.643 0.439 1 0 "[ . 1]"
1 97 GLY 3.793 0.470 1 0 "[ . 1]"
1 98 ASN 7.166 0.470 1 0 "[ . 1]"
1 99 LYS 1.267 0.247 6 0 "[ . 1]"
1 100 LEU 7.513 0.633 10 2 "[ . - +]"
1 101 ILE 4.654 0.439 1 0 "[ . 1]"
1 102 GLY 1.784 0.143 10 0 "[ . 1]"
1 103 LYS 1.208 0.128 4 0 "[ . 1]"
1 104 PHE 0.994 0.084 7 0 "[ . 1]"
1 105 LYS 2.633 0.369 9 0 "[ . 1]"
1 106 ARG 3.854 0.321 8 0 "[ . 1]"
1 107 THR 7.918 0.873 7 5 "[ -*. +**1]"
1 108 ASP 3.634 0.525 3 1 "[ + . 1]"
1 109 ASN 1.540 0.113 3 0 "[ . 1]"
1 110 GLY 0.752 0.147 5 0 "[ . 1]"
1 111 ASN 5.759 0.786 6 2 "[ .+ - 1]"
1 112 GLU 9.940 0.830 2 4 "[ +- * *]"
1 113 LEU 7.321 0.627 10 4 "[ *- * +]"
1 114 ASN 6.095 0.830 2 3 "[ + * -]"
1 115 THR 1.394 0.143 10 0 "[ . 1]"
1 116 VAL 1.775 0.220 2 0 "[ . 1]"
1 117 ARG 3.334 0.450 2 0 "[ . 1]"
1 118 GLU 7.030 1.286 1 5 "[+ * .* -*1]"
1 119 ILE 2.847 0.333 8 0 "[ . 1]"
1 120 ILE 6.264 1.286 1 5 "[+ * .* -*1]"
1 121 GLY 0.000 0.000 . 0 "[ . 1]"
1 122 ASP 2.136 0.333 8 0 "[ . 1]"
1 123 GLU 4.326 0.966 10 2 "[ * +]"
1 124 LEU 3.869 0.234 2 0 "[ . 1]"
1 125 VAL 6.752 0.273 2 0 "[ . 1]"
1 126 GLN 1.586 0.450 2 0 "[ . 1]"
1 127 THR 0.003 0.003 1 0 "[ . 1]"
1 128 TYR 0.634 0.421 4 0 "[ . 1]"
1 129 VAL 2.527 0.220 2 0 "[ . 1]"
1 130 TYR 1.344 0.780 2 2 "[ + .- 1]"
1 131 GLU 8.558 0.874 5 4 "[ +**- 1]"
1 132 GLY 0.533 0.137 4 0 "[ . 1]"
1 133 VAL 7.179 0.874 5 2 "[ + - 1]"
1 134 GLU 2.574 0.510 7 1 "[ . + 1]"
1 135 ALA 0.515 0.204 4 0 "[ . 1]"
1 136 LYS 0.753 0.421 4 0 "[ . 1]"
1 137 ARG 2.869 1.338 4 3 "[ +. - *]"
1 138 ILE 4.173 0.717 9 2 "[ .- +1]"
1 139 PHE 2.074 0.292 6 0 "[ . 1]"
1 140 LYS 6.941 0.966 10 2 "[ * +]"
1 141 LYS 9.122 0.437 8 0 "[ . 1]"
1 142 ASP 9.779 0.576 1 1 "[+ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 HIS HA 1 8 VAL QG 4.910 . 4.910 3.738 2.952 4.128 . 0 0 "[ . 1]" 1
2 1 7 HIS QB 1 8 VAL HB 4.730 . 4.730 4.608 4.505 4.698 . 0 0 "[ . 1]" 1
3 1 8 VAL H 1 8 VAL HB 3.330 . 3.330 3.113 2.795 3.323 . 0 0 "[ . 1]" 1
4 1 8 VAL H 1 8 VAL QG 3.380 . 3.380 2.723 2.524 2.989 . 0 0 "[ . 1]" 1
5 1 8 VAL HA 1 9 GLY H 2.610 . 2.610 2.438 2.336 2.639 0.029 8 0 "[ . 1]" 1
6 1 8 VAL HB 1 9 GLY H 4.030 . 4.030 3.894 3.371 4.046 0.016 10 0 "[ . 1]" 1
7 1 8 VAL QG 1 9 GLY H 3.750 . 3.750 1.991 1.921 2.084 . 0 0 "[ . 1]" 1
8 1 8 VAL QG 1 9 GLY HA3 5.500 . 5.500 3.774 3.628 3.899 . 0 0 "[ . 1]" 1
9 1 8 VAL QG 1 10 THR H 4.600 . 4.600 4.661 4.510 4.830 0.230 6 0 "[ . 1]" 1
10 1 8 VAL QG 1 10 THR HB 4.650 . 4.650 3.887 3.622 4.081 . 0 0 "[ . 1]" 1
11 1 8 VAL QG 1 11 GLN H 5.410 . 5.410 6.471 6.225 6.631 1.221 4 10 [*-*+******] 1
12 1 9 GLY H 1 10 THR HA 5.400 . 5.400 5.012 4.958 5.075 . 0 0 "[ . 1]" 1
13 1 9 GLY H 1 10 THR H 3.910 . 3.910 4.062 4.013 4.100 0.190 3 0 "[ . 1]" 1
14 1 10 THR HA 1 11 GLN H 2.920 . 2.920 2.129 2.113 2.161 . 0 0 "[ . 1]" 1
15 1 10 THR HA 1 11 GLN HB2 5.500 . 5.500 4.496 4.445 4.570 . 0 0 "[ . 1]" 1
16 1 10 THR HB 1 11 GLN H 4.500 . 4.500 4.358 4.322 4.406 . 0 0 "[ . 1]" 1
17 1 10 THR H 1 11 GLN H 3.240 . 3.240 3.474 3.430 3.516 0.276 6 0 "[ . 1]" 1
18 1 10 THR HA 1 14 ASP QB 4.880 . 4.880 6.518 6.044 6.833 1.953 4 10 [***+-*****] 1
19 1 11 GLN HA 1 11 GLN QE 4.750 . 4.750 4.585 4.554 4.606 . 0 0 "[ . 1]" 1
20 1 11 GLN HB2 1 11 GLN QE 4.110 . 4.110 2.901 2.710 3.053 . 0 0 "[ . 1]" 1
21 1 11 GLN HB3 1 11 GLN QE 4.100 . 4.100 2.706 2.603 2.766 . 0 0 "[ . 1]" 1
22 1 11 GLN H 1 11 GLN QE . . 5.410 4.595 4.423 4.726 . 0 0 "[ . 1]" 1
23 1 11 GLN H 1 11 GLN HB2 3.290 . 3.290 2.447 2.364 2.525 . 0 0 "[ . 1]" 1
24 1 11 GLN H 1 11 GLN HB3 3.830 . 3.830 3.610 3.597 3.626 . 0 0 "[ . 1]" 1
25 1 11 GLN HA 1 12 ALA H 2.970 . 2.970 2.457 2.426 2.481 . 0 0 "[ . 1]" 1
26 1 11 GLN HB2 1 12 ALA H 4.040 . 4.040 3.621 3.545 3.742 . 0 0 "[ . 1]" 1
27 1 11 GLN HB3 1 12 ALA H 3.690 . 3.690 2.300 2.232 2.360 . 0 0 "[ . 1]" 1
28 1 11 GLN HB3 1 12 ALA HA 5.500 . 5.500 4.473 4.417 4.527 . 0 0 "[ . 1]" 1
29 1 11 GLN QE 1 12 ALA H 5.500 . 5.500 4.746 4.681 4.865 . 0 0 "[ . 1]" 1
30 1 11 GLN HA 1 13 PHE H 4.560 . 4.560 4.621 4.587 4.679 0.119 5 0 "[ . 1]" 1
31 1 11 GLN HB2 1 13 PHE H 5.260 . 5.260 4.853 4.757 5.029 . 0 0 "[ . 1]" 1
32 1 11 GLN HB3 1 13 PHE H 5.080 . 5.080 3.395 3.300 3.470 . 0 0 "[ . 1]" 1
33 1 11 GLN HA 1 14 ASP H 5.280 . 5.280 5.097 4.987 5.201 . 0 0 "[ . 1]" 1
34 1 11 GLN HB2 1 14 ASP H 5.410 . 5.410 3.570 3.520 3.691 . 0 0 "[ . 1]" 1
35 1 11 GLN HB2 1 14 ASP HA 5.240 . 5.240 5.329 5.305 5.360 0.120 1 0 "[ . 1]" 1
36 1 11 GLN HB3 1 14 ASP H 5.110 . 5.110 2.906 2.695 3.114 . 0 0 "[ . 1]" 1
37 1 11 GLN QE 1 14 ASP H 4.380 . 4.380 3.893 3.764 4.039 . 0 0 "[ . 1]" 1
38 1 11 GLN QE 1 14 ASP HA 5.500 . 5.500 4.625 4.377 4.807 . 0 0 "[ . 1]" 1
39 1 11 GLN H 1 14 ASP QB 5.460 . 5.460 4.918 4.462 5.234 . 0 0 "[ . 1]" 1
40 1 11 GLN QE 1 53 GLN HB2 . . 4.780 4.240 4.144 4.315 . 0 0 "[ . 1]" 1
41 1 11 GLN QE 1 53 GLN H 5.500 . 5.500 3.257 3.081 3.391 . 0 0 "[ . 1]" 1
42 1 11 GLN QE 1 53 GLN HG2 5.500 . 5.500 5.013 4.802 5.102 . 0 0 "[ . 1]" 1
43 1 11 GLN QE 1 53 GLN HB3 4.970 . 4.970 2.915 2.797 2.989 . 0 0 "[ . 1]" 1
44 1 12 ALA HA 1 13 PHE HA 5.100 . 5.100 4.770 4.706 4.818 . 0 0 "[ . 1]" 1
45 1 12 ALA H 1 13 PHE HA 5.500 . 5.500 4.883 4.860 4.904 . 0 0 "[ . 1]" 1
46 1 12 ALA HA 1 14 ASP H 4.270 . 4.270 4.286 4.237 4.321 0.051 8 0 "[ . 1]" 1
47 1 12 ALA H 1 14 ASP H 4.880 . 4.880 3.535 3.444 3.618 . 0 0 "[ . 1]" 1
48 1 13 PHE H 1 14 ASP H 3.140 . 3.140 2.749 2.657 2.849 . 0 0 "[ . 1]" 1
49 1 13 PHE H 1 14 ASP QB 5.500 . 5.500 4.714 4.395 4.915 . 0 0 "[ . 1]" 1
50 1 13 PHE HA 1 17 TRP HE1 4.390 . 4.390 3.636 3.510 3.847 . 0 0 "[ . 1]" 1
51 1 13 PHE HA 1 119 ILE HB 5.500 . 5.500 5.185 4.959 5.319 . 0 0 "[ . 1]" 1
52 1 14 ASP H 1 14 ASP QB 3.250 . 3.250 2.345 2.094 2.501 . 0 0 "[ . 1]" 1
53 1 14 ASP HA 1 15 SER H 3.000 . 3.000 2.400 2.355 2.430 . 0 0 "[ . 1]" 1
54 1 14 ASP HA 1 15 SER HA 5.500 . 5.500 4.360 4.351 4.371 . 0 0 "[ . 1]" 1
55 1 14 ASP QB 1 15 SER H 4.430 . 4.430 3.920 3.876 3.951 . 0 0 "[ . 1]" 1
56 1 14 ASP QB 1 15 SER HA 5.500 . 5.500 4.442 4.240 4.608 . 0 0 "[ . 1]" 1
57 1 14 ASP H 1 15 SER H 4.420 . 4.420 3.973 3.896 4.028 . 0 0 "[ . 1]" 1
58 1 14 ASP HA 1 17 TRP HE1 5.160 . 5.160 4.618 4.524 4.722 . 0 0 "[ . 1]" 1
59 1 14 ASP H 1 17 TRP HZ2 4.870 . 4.870 4.907 4.866 4.944 0.074 2 0 "[ . 1]" 1
60 1 14 ASP HA 1 51 ILE HB 3.830 . 3.830 2.300 2.101 2.557 . 0 0 "[ . 1]" 1
61 1 14 ASP HA 1 51 ILE HG13 5.500 . 5.500 4.462 4.272 4.729 . 0 0 "[ . 1]" 1
62 1 14 ASP HA 1 51 ILE H 4.870 . 4.870 4.338 4.218 4.477 . 0 0 "[ . 1]" 1
63 1 14 ASP QB 1 52 THR HA . . 4.840 3.268 3.069 3.581 . 0 0 "[ . 1]" 1
64 1 14 ASP QB 1 53 GLN H 5.500 . 5.500 3.743 3.465 4.173 . 0 0 "[ . 1]" 1
65 1 15 SER HA 1 16 THR H 2.980 . 2.980 2.747 2.674 2.848 . 0 0 "[ . 1]" 1
66 1 15 SER HA 1 16 THR HB 5.130 . 5.130 4.735 4.521 4.966 . 0 0 "[ . 1]" 1
67 1 15 SER QB 1 16 THR H . . 3.610 2.022 1.910 2.408 . 0 0 "[ . 1]" 1
68 1 15 SER H 1 16 THR H 4.700 . 4.700 4.326 4.261 4.376 . 0 0 "[ . 1]" 1
69 1 15 SER HA 1 17 TRP HE1 5.440 . 5.440 4.568 4.496 4.612 . 0 0 "[ . 1]" 1
70 1 15 SER QB 1 17 TRP HE1 . . 4.060 2.653 2.385 3.502 . 0 0 "[ . 1]" 1
71 1 15 SER QB 1 17 TRP HZ2 4.120 . 4.120 2.913 2.464 3.814 . 0 0 "[ . 1]" 1
72 1 15 SER QB 1 17 TRP HD1 5.450 . 5.450 3.909 3.765 4.372 . 0 0 "[ . 1]" 1
73 1 15 SER QB 1 17 TRP HA 5.500 . 5.500 5.043 4.899 5.139 . 0 0 "[ . 1]" 1
74 1 15 SER H 1 17 TRP HE1 3.930 . 3.930 2.590 2.511 2.680 . 0 0 "[ . 1]" 1
75 1 15 SER H 1 17 TRP HD1 4.410 . 4.410 4.335 4.227 4.428 0.018 7 0 "[ . 1]" 1
76 1 15 SER H 1 50 THR HA 4.710 . 4.710 4.896 4.865 4.946 0.236 9 0 "[ . 1]" 1
77 1 15 SER HA 1 51 ILE H 5.500 . 5.500 4.450 4.358 4.571 . 0 0 "[ . 1]" 1
78 1 15 SER H 1 51 ILE HG12 5.150 . 5.150 3.273 3.107 3.469 . 0 0 "[ . 1]" 1
79 1 15 SER H 1 51 ILE H 3.780 . 3.780 3.098 3.075 3.134 . 0 0 "[ . 1]" 1
80 1 15 SER H 1 51 ILE HB 3.420 . 3.420 1.984 1.899 2.057 . 0 0 "[ . 1]" 1
81 1 15 SER H 1 51 ILE HA 4.650 . 4.650 4.643 4.589 4.685 0.035 9 0 "[ . 1]" 1
82 1 15 SER H 1 52 THR HA 5.110 . 5.110 5.171 5.135 5.224 0.114 5 0 "[ . 1]" 1
83 1 15 SER QB 1 141 LYS QE . . 4.520 2.789 2.080 3.983 . 0 0 "[ . 1]" 1
84 1 15 SER QB 1 141 LYS HD2 5.500 . 5.500 3.227 2.310 4.365 . 0 0 "[ . 1]" 1
85 1 15 SER QB 1 141 LYS HD3 5.500 . 5.500 2.798 2.437 3.379 . 0 0 "[ . 1]" 1
86 1 15 SER QB 1 141 LYS QG . . 4.980 4.089 3.903 4.450 . 0 0 "[ . 1]" 1
87 1 16 THR H 1 16 THR HB 3.220 . 3.220 2.609 2.460 2.742 . 0 0 "[ . 1]" 1
88 1 16 THR HA 1 17 TRP H 3.250 . 3.250 2.190 2.176 2.214 . 0 0 "[ . 1]" 1
89 1 16 THR HA 1 17 TRP HA 4.480 . 4.480 4.400 4.397 4.405 . 0 0 "[ . 1]" 1
90 1 16 THR HA 1 17 TRP HD1 4.100 . 4.100 3.231 3.151 3.314 . 0 0 "[ . 1]" 1
91 1 16 THR HB 1 17 TRP H 4.830 . 4.830 4.443 4.323 4.534 . 0 0 "[ . 1]" 1
92 1 16 THR H 1 17 TRP HD1 5.500 . 5.500 4.499 4.383 4.676 . 0 0 "[ . 1]" 1
93 1 16 THR H 1 17 TRP H 4.650 . 4.650 4.077 3.993 4.220 . 0 0 "[ . 1]" 1
94 1 16 THR H 1 17 TRP HA 5.240 . 5.240 4.783 4.694 4.947 . 0 0 "[ . 1]" 1
95 1 16 THR HA 1 50 THR HA 3.400 . 3.400 2.129 1.981 2.273 . 0 0 "[ . 1]" 1
96 1 16 THR HB 1 50 THR HA 5.160 . 5.160 4.847 4.741 5.074 . 0 0 "[ . 1]" 1
97 1 16 THR HA 1 51 ILE H 4.290 . 4.290 3.176 3.026 3.330 . 0 0 "[ . 1]" 1
98 1 16 THR H 1 141 LYS QG 5.470 . 5.470 5.044 4.672 5.566 0.096 8 0 "[ . 1]" 1
99 1 16 THR H 1 141 LYS HD2 5.500 . 5.500 4.020 3.000 5.169 . 0 0 "[ . 1]" 1
100 1 16 THR HA 1 142 ASP H 5.500 . 5.500 4.831 4.693 4.989 . 0 0 "[ . 1]" 1
101 1 16 THR HB 1 142 ASP H 4.290 . 4.290 3.558 3.179 3.995 . 0 0 "[ . 1]" 1
102 1 16 THR HB 1 142 ASP HB3 4.140 . 4.140 3.933 3.222 4.520 0.380 6 0 "[ . 1]" 1
103 1 17 TRP HA 1 17 TRP HE3 4.080 . 4.080 3.935 3.853 4.019 . 0 0 "[ . 1]" 1
104 1 17 TRP QB 1 17 TRP HD1 . . 3.350 2.927 2.904 2.960 . 0 0 "[ . 1]" 1
105 1 17 TRP QB 1 17 TRP HE3 3.440 . 3.440 2.225 2.205 2.241 . 0 0 "[ . 1]" 1
106 1 17 TRP H 1 17 TRP HE3 5.370 . 5.370 5.451 5.400 5.493 0.123 5 0 "[ . 1]" 1
107 1 17 TRP H 1 17 TRP HD1 3.540 . 3.540 1.981 1.930 2.081 . 0 0 "[ . 1]" 1
108 1 17 TRP HA 1 18 LYS H 3.100 . 3.100 2.122 2.095 2.141 . 0 0 "[ . 1]" 1
109 1 17 TRP QB 1 18 LYS H 4.110 . 4.110 3.147 3.048 3.227 . 0 0 "[ . 1]" 1
110 1 17 TRP QB 1 18 LYS HA 5.500 . 5.500 4.338 4.277 4.364 . 0 0 "[ . 1]" 1
111 1 17 TRP H 1 18 LYS H 4.960 . 4.960 4.352 4.316 4.422 . 0 0 "[ . 1]" 1
112 1 17 TRP QB 1 49 LEU H . . 4.200 4.547 4.376 4.773 0.573 7 2 "[ -. + 1]" 1
113 1 17 TRP QB 1 49 LEU HB3 4.440 . 4.440 4.378 3.912 5.170 0.730 4 2 "[ +. -]" 1
114 1 17 TRP QB 1 49 LEU HB2 4.910 . 4.910 3.572 3.411 3.776 . 0 0 "[ . 1]" 1
115 1 17 TRP HD1 1 49 LEU H 5.500 . 5.500 5.308 5.115 5.467 . 0 0 "[ . 1]" 1
116 1 17 TRP HD1 1 49 LEU HB2 5.430 . 5.430 4.060 3.804 4.365 . 0 0 "[ . 1]" 1
117 1 17 TRP HD1 1 49 LEU HB3 3.690 . 3.690 3.755 3.400 4.538 0.848 4 3 "[ +. -*]" 1
118 1 17 TRP H 1 49 LEU HA 5.020 . 5.020 5.026 4.961 5.086 0.066 4 0 "[ . 1]" 1
119 1 17 TRP H 1 49 LEU HB3 5.040 . 5.040 3.912 3.461 4.488 . 0 0 "[ . 1]" 1
120 1 17 TRP H 1 49 LEU H 4.280 . 4.280 4.008 3.886 4.173 . 0 0 "[ . 1]" 1
121 1 17 TRP HD1 1 50 THR HA 5.280 . 5.280 3.730 3.522 3.926 . 0 0 "[ . 1]" 1
122 1 17 TRP H 1 50 THR HA 4.330 . 4.330 3.263 3.073 3.389 . 0 0 "[ . 1]" 1
123 1 17 TRP HD1 1 51 ILE HB 5.500 . 5.500 4.516 4.247 4.663 . 0 0 "[ . 1]" 1
124 1 17 TRP HD1 1 51 ILE H 3.820 . 3.820 3.642 3.440 3.816 . 0 0 "[ . 1]" 1
125 1 17 TRP HD1 1 51 ILE HG12 3.440 . 3.440 2.379 2.206 2.509 . 0 0 "[ . 1]" 1
126 1 17 TRP HE1 1 51 ILE H 5.340 . 5.340 3.916 3.724 4.020 . 0 0 "[ . 1]" 1
127 1 17 TRP HE1 1 51 ILE HB 4.020 . 4.020 3.158 3.026 3.298 . 0 0 "[ . 1]" 1
128 1 17 TRP H 1 51 ILE H 4.910 . 4.910 4.199 3.998 4.312 . 0 0 "[ . 1]" 1
129 1 17 TRP HE3 1 123 GLU HA 5.390 . 5.390 3.180 2.800 3.415 . 0 0 "[ . 1]" 1
130 1 17 TRP HZ3 1 123 GLU H 5.310 . 5.310 4.423 3.955 4.690 . 0 0 "[ . 1]" 1
131 1 17 TRP HZ3 1 123 GLU HA 3.950 . 3.950 2.668 2.143 3.148 . 0 0 "[ . 1]" 1
132 1 17 TRP QB 1 124 LEU H 4.660 . 4.660 3.820 3.675 3.931 . 0 0 "[ . 1]" 1
133 1 17 TRP QB 1 124 LEU QB 4.430 . 4.430 3.162 3.050 3.269 . 0 0 "[ . 1]" 1
134 1 17 TRP HE3 1 124 LEU H 4.290 . 4.290 2.893 2.708 3.040 . 0 0 "[ . 1]" 1
135 1 17 TRP HE3 1 124 LEU QB 5.180 . 5.180 3.428 3.199 3.597 . 0 0 "[ . 1]" 1
136 1 17 TRP HE3 1 124 LEU HA 5.500 . 5.500 5.338 5.153 5.519 0.019 2 0 "[ . 1]" 1
137 1 17 TRP HZ3 1 124 LEU H 4.150 . 4.150 3.437 3.164 3.606 . 0 0 "[ . 1]" 1
138 1 17 TRP HZ3 1 124 LEU QB 5.500 . 5.500 3.944 3.710 4.156 . 0 0 "[ . 1]" 1
139 1 17 TRP HA 1 140 LYS H 4.650 . 4.650 4.636 4.579 4.672 0.022 7 0 "[ . 1]" 1
140 1 17 TRP HE3 1 140 LYS HA 4.340 . 4.340 2.499 2.280 2.605 . 0 0 "[ . 1]" 1
141 1 17 TRP HZ3 1 140 LYS HA 4.250 . 4.250 4.118 3.927 4.209 . 0 0 "[ . 1]" 1
142 1 17 TRP HA 1 141 LYS H 5.410 . 5.410 3.846 3.776 3.962 . 0 0 "[ . 1]" 1
143 1 17 TRP HA 1 141 LYS HA 3.610 . 3.610 1.875 1.797 1.984 . 0 0 "[ . 1]" 1
144 1 17 TRP HE3 1 141 LYS HB3 5.450 . 5.450 4.870 4.767 4.986 . 0 0 "[ . 1]" 1
145 1 17 TRP HE3 1 141 LYS HB2 5.470 . 5.470 4.837 4.741 4.950 . 0 0 "[ . 1]" 1
146 1 17 TRP HE3 1 141 LYS QG 5.070 . 5.070 2.491 2.359 2.703 . 0 0 "[ . 1]" 1
147 1 17 TRP HE3 1 141 LYS HA 4.360 . 4.360 3.461 3.350 3.545 . 0 0 "[ . 1]" 1
148 1 17 TRP HE3 1 141 LYS H 3.690 . 3.690 2.394 2.321 2.486 . 0 0 "[ . 1]" 1
149 1 17 TRP HH2 1 141 LYS QE . . 4.240 3.283 2.497 4.317 0.077 1 0 "[ . 1]" 1
150 1 17 TRP HH2 1 141 LYS HD2 5.500 . 5.500 5.157 4.418 5.457 . 0 0 "[ . 1]" 1
151 1 17 TRP H 1 141 LYS HA 5.500 . 5.500 4.194 4.153 4.299 . 0 0 "[ . 1]" 1
152 1 17 TRP HZ3 1 141 LYS H 4.410 . 4.410 3.684 3.602 3.812 . 0 0 "[ . 1]" 1
153 1 17 TRP HZ3 1 141 LYS HB2 5.450 . 5.450 5.489 5.436 5.564 0.114 7 0 "[ . 1]" 1
154 1 17 TRP HZ3 1 141 LYS HD2 5.500 . 5.500 4.800 3.986 5.231 . 0 0 "[ . 1]" 1
155 1 17 TRP HZ3 1 141 LYS HA 5.430 . 5.430 5.186 5.046 5.318 . 0 0 "[ . 1]" 1
156 1 17 TRP HZ3 1 141 LYS QG 4.200 . 4.200 2.783 2.710 2.896 . 0 0 "[ . 1]" 1
157 1 17 TRP HA 1 142 ASP H 3.690 . 3.690 2.644 2.607 2.697 . 0 0 "[ . 1]" 1
158 1 17 TRP HA 1 142 ASP HB3 5.500 . 5.500 4.352 4.124 4.721 . 0 0 "[ . 1]" 1
159 1 17 TRP HA 1 142 ASP HB2 5.500 . 5.500 3.468 3.291 3.648 . 0 0 "[ . 1]" 1
160 1 17 TRP QB 1 142 ASP H 5.500 . 5.500 4.447 4.413 4.475 . 0 0 "[ . 1]" 1
161 1 17 TRP H 1 142 ASP H 5.460 . 5.460 4.529 4.433 4.617 . 0 0 "[ . 1]" 1
162 1 18 LYS H 1 18 LYS HB3 3.630 . 3.630 2.627 2.326 2.868 . 0 0 "[ . 1]" 1
163 1 18 LYS H 1 18 LYS HB2 3.680 . 3.680 3.653 3.559 3.694 0.014 1 0 "[ . 1]" 1
164 1 18 LYS HA 1 19 VAL HB 4.560 . 4.560 4.711 4.654 4.745 0.185 4 0 "[ . 1]" 1
165 1 18 LYS HA 1 19 VAL H 3.060 . 3.060 2.338 2.302 2.380 . 0 0 "[ . 1]" 1
166 1 18 LYS HA 1 19 VAL HA 5.380 . 5.380 4.299 4.289 4.312 . 0 0 "[ . 1]" 1
167 1 18 LYS HB2 1 19 VAL H 4.260 . 4.260 2.840 2.543 3.344 . 0 0 "[ . 1]" 1
168 1 18 LYS HB3 1 19 VAL H 4.120 . 4.120 4.059 3.855 4.285 0.165 8 0 "[ . 1]" 1
169 1 18 LYS H 1 19 VAL H 5.060 . 5.060 4.562 4.543 4.574 . 0 0 "[ . 1]" 1
170 1 18 LYS HA 1 48 LYS H 5.500 . 5.500 5.113 4.898 5.289 . 0 0 "[ . 1]" 1
171 1 18 LYS HA 1 48 LYS HG3 4.810 . 4.810 4.026 3.216 5.428 0.618 3 1 "[ + . 1]" 1
172 1 18 LYS HA 1 48 LYS HA 3.420 . 3.420 2.335 2.053 2.531 . 0 0 "[ . 1]" 1
173 1 18 LYS HB2 1 48 LYS HA 3.530 . 3.530 3.137 2.963 3.288 . 0 0 "[ . 1]" 1
174 1 18 LYS HA 1 49 LEU H 4.220 . 4.220 2.511 2.242 2.627 . 0 0 "[ . 1]" 1
175 1 18 LYS H 1 139 PHE HB2 5.500 . 5.500 5.177 4.959 5.352 . 0 0 "[ . 1]" 1
176 1 18 LYS H 1 140 LYS H 3.880 . 3.880 3.655 3.494 3.844 . 0 0 "[ . 1]" 1
177 1 18 LYS H 1 141 LYS H 5.270 . 5.270 4.698 4.584 4.792 . 0 0 "[ . 1]" 1
178 1 18 LYS H 1 141 LYS HA 4.150 . 4.150 3.479 3.339 3.593 . 0 0 "[ . 1]" 1
179 1 18 LYS HB2 1 142 ASP HB2 3.980 . 3.980 3.563 3.318 3.770 . 0 0 "[ . 1]" 1
180 1 18 LYS HB2 1 142 ASP HB3 4.760 . 4.760 4.969 4.418 5.336 0.576 1 1 "[+ . 1]" 1
181 1 18 LYS HB2 1 142 ASP HA 5.160 . 5.160 5.238 5.171 5.293 0.133 6 0 "[ . 1]" 1
182 1 18 LYS H 1 142 ASP H 4.270 . 4.270 3.504 3.301 3.723 . 0 0 "[ . 1]" 1
183 1 18 LYS H 1 142 ASP HA 5.500 . 5.500 3.883 3.708 4.088 . 0 0 "[ . 1]" 1
184 1 18 LYS H 1 142 ASP HB3 4.820 . 4.820 4.180 3.958 4.401 . 0 0 "[ . 1]" 1
185 1 18 LYS H 1 142 ASP HB2 4.710 . 4.710 2.620 2.468 2.820 . 0 0 "[ . 1]" 1
186 1 19 VAL H 1 19 VAL HB 3.160 . 3.160 2.380 2.359 2.438 . 0 0 "[ . 1]" 1
187 1 19 VAL HA 1 20 ASP HB3 5.470 . 5.470 5.215 4.794 5.400 . 0 0 "[ . 1]" 1
188 1 19 VAL HA 1 20 ASP HA 5.500 . 5.500 4.366 4.354 4.381 . 0 0 "[ . 1]" 1
189 1 19 VAL HA 1 20 ASP H 3.150 . 3.150 2.098 2.079 2.120 . 0 0 "[ . 1]" 1
190 1 19 VAL HA 1 20 ASP HB2 4.830 . 4.830 4.151 4.094 4.253 . 0 0 "[ . 1]" 1
191 1 19 VAL HB 1 20 ASP H 5.280 . 5.280 4.422 4.338 4.479 . 0 0 "[ . 1]" 1
192 1 19 VAL H 1 20 ASP H 5.130 . 5.130 4.387 4.279 4.454 . 0 0 "[ . 1]" 1
193 1 19 VAL HA 1 21 ARG H 3.900 . 3.900 3.407 3.306 3.524 . 0 0 "[ . 1]" 1
194 1 19 VAL H 1 47 LEU H 4.970 . 4.970 4.482 4.281 4.772 . 0 0 "[ . 1]" 1
195 1 19 VAL H 1 48 LYS HA 4.070 . 4.070 3.306 3.009 3.527 . 0 0 "[ . 1]" 1
196 1 19 VAL HB 1 137 ARG QD 5.420 . 5.420 5.412 4.396 6.758 1.338 4 3 "[ +. - *]" 1
197 1 19 VAL HA 1 138 ILE H 5.500 . 5.500 5.414 5.266 5.526 0.026 9 0 "[ . 1]" 1
198 1 19 VAL HA 1 139 PHE HB3 4.710 . 4.710 3.509 3.311 3.624 . 0 0 "[ . 1]" 1
199 1 19 VAL HA 1 139 PHE HA 3.340 . 3.340 2.561 2.451 2.620 . 0 0 "[ . 1]" 1
200 1 19 VAL H 1 139 PHE HB3 5.500 . 5.500 4.303 4.111 4.424 . 0 0 "[ . 1]" 1
201 1 19 VAL H 1 139 PHE HA 5.340 . 5.340 4.627 4.471 4.722 . 0 0 "[ . 1]" 1
202 1 19 VAL HA 1 140 LYS H 3.850 . 3.850 3.859 3.771 3.940 0.090 4 0 "[ . 1]" 1
203 1 20 ASP H 1 20 ASP HB2 3.790 . 3.790 2.336 2.165 2.549 . 0 0 "[ . 1]" 1
204 1 20 ASP H 1 20 ASP HB3 3.840 . 3.840 3.141 2.736 3.326 . 0 0 "[ . 1]" 1
205 1 20 ASP HA 1 21 ARG QD 5.500 . 5.500 4.375 3.796 5.267 . 0 0 "[ . 1]" 1
206 1 20 ASP HB2 1 21 ARG H 3.750 . 3.750 3.551 3.375 3.767 0.017 5 0 "[ . 1]" 1
207 1 20 ASP HB2 1 21 ARG QD 5.500 . 5.500 3.764 3.178 4.493 . 0 0 "[ . 1]" 1
208 1 20 ASP HB3 1 21 ARG H 3.520 . 3.520 3.327 2.901 3.542 0.022 1 0 "[ . 1]" 1
209 1 20 ASP HB3 1 21 ARG HG3 5.500 . 5.500 4.385 4.149 4.747 . 0 0 "[ . 1]" 1
210 1 20 ASP H 1 21 ARG H 3.200 . 3.200 2.026 1.913 2.116 . 0 0 "[ . 1]" 1
211 1 20 ASP HB3 1 138 ILE HB 5.270 . 5.270 4.293 3.264 4.713 . 0 0 "[ . 1]" 1
212 1 20 ASP H 1 138 ILE HB 5.500 . 5.500 4.591 4.209 4.884 . 0 0 "[ . 1]" 1
213 1 20 ASP HB2 1 139 PHE HA 5.010 . 5.010 3.067 2.807 3.295 . 0 0 "[ . 1]" 1
214 1 20 ASP HB3 1 139 PHE HA 4.890 . 4.890 4.325 3.719 4.656 . 0 0 "[ . 1]" 1
215 1 20 ASP H 1 139 PHE HB3 5.240 . 5.240 4.291 4.099 4.498 . 0 0 "[ . 1]" 1
216 1 20 ASP H 1 139 PHE HA 3.650 . 3.650 2.248 2.097 2.441 . 0 0 "[ . 1]" 1
217 1 20 ASP HB2 1 140 LYS QE 5.500 . 5.500 4.014 3.640 4.292 . 0 0 "[ . 1]" 1
218 1 20 ASP HB2 1 140 LYS HB2 4.800 . 4.800 2.625 2.302 3.053 . 0 0 "[ . 1]" 1
219 1 20 ASP HB2 1 140 LYS H 4.420 . 4.420 1.995 1.811 2.140 . 0 0 "[ . 1]" 1
220 1 20 ASP HB3 1 140 LYS H 4.630 . 4.630 3.646 3.307 3.871 . 0 0 "[ . 1]" 1
221 1 20 ASP H 1 140 LYS H 4.230 . 4.230 2.914 2.697 3.156 . 0 0 "[ . 1]" 1
222 1 21 ARG HA 1 21 ARG HE 5.500 . 5.500 5.079 3.752 5.553 0.053 1 0 "[ . 1]" 1
223 1 21 ARG HA 1 21 ARG HG2 3.860 . 3.860 3.538 3.511 3.566 . 0 0 "[ . 1]" 1
224 1 21 ARG H 1 21 ARG HG3 4.540 . 4.540 3.984 3.764 4.139 . 0 0 "[ . 1]" 1
225 1 21 ARG H 1 21 ARG HG2 4.360 . 4.360 2.480 2.366 2.579 . 0 0 "[ . 1]" 1
226 1 21 ARG HA 1 22 SER H 2.960 . 2.960 2.492 2.416 2.567 . 0 0 "[ . 1]" 1
227 1 21 ARG HG2 1 22 SER H 4.610 . 4.610 4.266 4.183 4.382 . 0 0 "[ . 1]" 1
228 1 21 ARG HG2 1 22 SER HA 4.640 . 4.640 4.738 4.691 4.787 0.147 9 0 "[ . 1]" 1
229 1 21 ARG HG3 1 22 SER H 4.540 . 4.540 3.876 3.521 4.320 . 0 0 "[ . 1]" 1
230 1 21 ARG H 1 22 SER H 4.600 . 4.600 4.351 4.335 4.364 . 0 0 "[ . 1]" 1
231 1 21 ARG QD 1 138 ILE HB 5.500 . 5.500 3.042 2.534 3.424 . 0 0 "[ . 1]" 1
232 1 21 ARG HE 1 138 ILE HB 5.500 . 5.500 4.392 3.833 5.009 . 0 0 "[ . 1]" 1
233 1 21 ARG H 1 138 ILE H 4.260 . 4.260 3.729 3.559 3.840 . 0 0 "[ . 1]" 1
234 1 21 ARG H 1 138 ILE HB 4.340 . 4.340 3.600 3.363 3.734 . 0 0 "[ . 1]" 1
235 1 21 ARG H 1 139 PHE HA 4.340 . 4.340 3.796 3.670 3.929 . 0 0 "[ . 1]" 1
236 1 21 ARG QD 1 140 LYS HB3 5.500 . 5.500 4.974 4.280 5.901 0.401 9 0 "[ . 1]" 1
237 1 21 ARG QD 1 140 LYS QG 5.400 . 5.400 5.116 4.498 5.546 0.146 1 0 "[ . 1]" 1
238 1 21 ARG QD 1 140 LYS HB2 5.500 . 5.500 4.115 3.530 4.597 . 0 0 "[ . 1]" 1
239 1 21 ARG HG2 1 140 LYS H 5.130 . 5.130 5.301 5.258 5.369 0.239 9 0 "[ . 1]" 1
240 1 22 SER H 1 22 SER QB 3.890 . 3.890 3.034 2.714 3.247 . 0 0 "[ . 1]" 1
241 1 22 SER HA 1 23 GLU H 3.240 . 3.240 2.427 2.336 2.543 . 0 0 "[ . 1]" 1
242 1 22 SER HA 1 23 GLU HG2 5.440 . 5.440 5.184 3.865 5.470 0.030 9 0 "[ . 1]" 1
243 1 22 SER HA 1 23 GLU HG3 5.000 . 5.000 3.801 3.338 4.360 . 0 0 "[ . 1]" 1
244 1 22 SER HA 1 23 GLU QB 5.150 . 5.150 4.265 4.015 4.485 . 0 0 "[ . 1]" 1
245 1 22 SER QB 1 23 GLU H . . 3.720 2.680 2.207 3.289 . 0 0 "[ . 1]" 1
246 1 22 SER H 1 23 GLU H 4.730 . 4.730 4.379 4.339 4.412 . 0 0 "[ . 1]" 1
247 1 22 SER HA 1 25 TYR H 5.500 . 5.500 5.528 5.416 5.582 0.082 9 0 "[ . 1]" 1
248 1 22 SER HA 1 25 TYR HB2 5.200 . 5.200 4.956 4.821 5.141 . 0 0 "[ . 1]" 1
249 1 22 SER QB 1 25 TYR HB3 . . 4.430 3.842 3.079 4.322 . 0 0 "[ . 1]" 1
250 1 22 SER QB 1 25 TYR HB2 4.270 . 4.270 2.661 2.387 3.384 . 0 0 "[ . 1]" 1
251 1 22 SER QB 1 25 TYR H . . 4.520 3.778 3.426 4.609 0.089 5 0 "[ . 1]" 1
252 1 22 SER HA 1 137 ARG H 5.500 . 5.500 4.872 4.776 5.049 . 0 0 "[ . 1]" 1
253 1 22 SER HA 1 137 ARG HA 3.490 . 3.490 2.167 2.016 2.377 . 0 0 "[ . 1]" 1
254 1 22 SER QB 1 137 ARG HG2 5.380 . 5.380 3.664 1.933 4.748 . 0 0 "[ . 1]" 1
255 1 22 SER QB 1 137 ARG HG3 5.050 . 5.050 3.068 2.059 4.876 . 0 0 "[ . 1]" 1
256 1 22 SER QB 1 137 ARG HE 5.500 . 5.500 2.917 2.245 4.471 . 0 0 "[ . 1]" 1
257 1 22 SER QB 1 137 ARG HA 3.680 . 3.680 3.009 2.403 3.526 . 0 0 "[ . 1]" 1
258 1 22 SER QB 1 137 ARG QD 5.500 . 5.500 2.720 1.828 3.853 . 0 0 "[ . 1]" 1
259 1 22 SER HA 1 138 ILE H 4.130 . 4.130 2.509 2.330 2.777 . 0 0 "[ . 1]" 1
260 1 23 GLU HA 1 23 GLU HG3 3.910 . 3.910 2.830 2.437 3.572 . 0 0 "[ . 1]" 1
261 1 23 GLU HA 1 23 GLU HG2 4.220 . 4.220 2.781 2.158 3.343 . 0 0 "[ . 1]" 1
262 1 23 GLU H 1 23 GLU QB 3.720 . 3.720 2.723 2.649 2.890 . 0 0 "[ . 1]" 1
263 1 23 GLU H 1 23 GLU HG3 4.320 . 4.320 3.392 3.005 4.022 . 0 0 "[ . 1]" 1
264 1 23 GLU H 1 23 GLU HG2 4.500 . 4.500 4.352 3.463 4.554 0.054 9 0 "[ . 1]" 1
265 1 23 GLU HA 1 24 ASN H 2.710 . 2.710 2.127 2.112 2.145 . 0 0 "[ . 1]" 1
266 1 23 GLU QB 1 24 ASN HB3 . . 5.030 4.027 3.901 4.097 . 0 0 "[ . 1]" 1
267 1 23 GLU QB 1 24 ASN H . . 3.980 3.169 2.890 3.382 . 0 0 "[ . 1]" 1
268 1 23 GLU QB 1 24 ASN HB2 4.990 . 4.990 3.469 3.339 3.658 . 0 0 "[ . 1]" 1
269 1 23 GLU HG2 1 24 ASN H 4.570 . 4.570 4.426 3.830 4.700 0.130 4 0 "[ . 1]" 1
270 1 23 GLU HG3 1 24 ASN H 4.770 . 4.770 4.827 4.377 5.458 0.688 7 1 "[ . + 1]" 1
271 1 23 GLU H 1 24 ASN H 4.120 . 4.120 4.188 4.081 4.284 0.164 4 0 "[ . 1]" 1
272 1 23 GLU HA 1 25 TYR HB2 4.950 . 4.950 4.896 4.629 5.172 0.222 1 0 "[ . 1]" 1
273 1 23 GLU QB 1 25 TYR H 5.500 . 5.500 4.545 4.455 4.714 . 0 0 "[ . 1]" 1
274 1 23 GLU H 1 25 TYR HB2 5.170 . 5.170 3.879 3.669 4.195 . 0 0 "[ . 1]" 1
275 1 23 GLU H 1 25 TYR H 4.720 . 4.720 3.621 3.384 3.839 . 0 0 "[ . 1]" 1
276 1 23 GLU QB 1 135 ALA HA 4.750 . 4.750 4.246 4.030 4.361 . 0 0 "[ . 1]" 1
277 1 23 GLU HA 1 136 LYS H 5.070 . 5.070 4.933 4.851 5.021 . 0 0 "[ . 1]" 1
278 1 23 GLU QB 1 136 LYS QB . . 4.220 3.905 3.591 4.036 . 0 0 "[ . 1]" 1
279 1 23 GLU QB 1 136 LYS H 3.860 . 3.860 3.175 2.795 3.354 . 0 0 "[ . 1]" 1
280 1 23 GLU H 1 136 LYS HA 5.500 . 5.500 4.923 4.868 5.048 . 0 0 "[ . 1]" 1
281 1 23 GLU H 1 136 LYS H 3.570 . 3.570 3.168 3.024 3.373 . 0 0 "[ . 1]" 1
282 1 23 GLU H 1 136 LYS QB 5.500 . 5.500 4.442 4.173 4.638 . 0 0 "[ . 1]" 1
283 1 23 GLU HG3 1 138 ILE HB 5.370 . 5.370 5.442 4.633 6.087 0.717 9 2 "[ .- +1]" 1
284 1 24 ASN HB2 1 24 ASN HD22 4.000 . 4.000 4.040 4.020 4.054 0.054 2 0 "[ . 1]" 1
285 1 24 ASN HB3 1 24 ASN HD22 3.690 . 3.690 3.474 3.449 3.492 . 0 0 "[ . 1]" 1
286 1 24 ASN H 1 24 ASN HB3 3.960 . 3.960 3.748 3.667 3.769 . 0 0 "[ . 1]" 1
287 1 24 ASN HA 1 25 TYR H 3.540 . 3.540 3.233 3.175 3.294 . 0 0 "[ . 1]" 1
288 1 24 ASN HD22 1 25 TYR HA 5.500 . 5.500 5.617 5.590 5.666 0.166 3 0 "[ . 1]" 1
289 1 24 ASN H 1 25 TYR HB3 5.500 . 5.500 5.203 4.959 5.502 0.002 4 0 "[ . 1]" 1
290 1 24 ASN H 1 25 TYR H 3.680 . 3.680 2.720 2.616 2.806 . 0 0 "[ . 1]" 1
291 1 24 ASN HA 1 26 ASP H 4.180 . 4.180 3.606 3.505 3.738 . 0 0 "[ . 1]" 1
292 1 24 ASN H 1 26 ASP H 4.840 . 4.840 4.173 4.076 4.352 . 0 0 "[ . 1]" 1
293 1 24 ASN HA 1 27 LYS H 4.550 . 4.550 3.661 3.495 3.838 . 0 0 "[ . 1]" 1
294 1 24 ASN HD21 1 27 LYS H 5.380 . 5.380 4.057 3.663 4.372 . 0 0 "[ . 1]" 1
295 1 24 ASN HD21 1 27 LYS HB3 5.070 . 5.070 3.056 2.730 3.547 . 0 0 "[ . 1]" 1
296 1 24 ASN HD21 1 27 LYS HB2 4.230 . 4.230 4.062 3.640 4.249 0.019 8 0 "[ . 1]" 1
297 1 24 ASN HD21 1 27 LYS QG 5.490 . 5.490 4.689 4.381 5.118 . 0 0 "[ . 1]" 1
298 1 24 ASN HD22 1 27 LYS HB3 5.380 . 5.380 2.182 1.852 2.705 . 0 0 "[ . 1]" 1
299 1 24 ASN HD22 1 27 LYS HB2 5.500 . 5.500 3.102 2.721 3.377 . 0 0 "[ . 1]" 1
300 1 24 ASN HD22 1 27 LYS QG 5.500 . 5.500 3.473 3.083 3.948 . 0 0 "[ . 1]" 1
301 1 24 ASN HA 1 28 PHE H 5.370 . 5.370 5.121 4.921 5.385 0.015 5 0 "[ . 1]" 1
302 1 24 ASN HB2 1 133 VAL QG 5.500 . 5.500 4.822 4.709 5.083 . 0 0 "[ . 1]" 1
303 1 24 ASN HD21 1 133 VAL HA 5.210 . 5.210 4.979 4.667 5.224 0.014 3 0 "[ . 1]" 1
304 1 24 ASN HD21 1 133 VAL QG 3.480 . 3.480 2.428 2.267 2.606 . 0 0 "[ . 1]" 1
305 1 24 ASN HD22 1 133 VAL QG 4.570 . 4.570 1.838 1.759 1.926 . 0 0 "[ . 1]" 1
306 1 24 ASN HD22 1 133 VAL HA 5.500 . 5.500 3.861 3.492 4.231 . 0 0 "[ . 1]" 1
307 1 24 ASN HD22 1 134 GLU H 5.120 . 5.120 4.067 3.621 4.699 . 0 0 "[ . 1]" 1
308 1 24 ASN HB2 1 135 ALA HA 3.390 . 3.390 3.247 3.076 3.395 0.005 7 0 "[ . 1]" 1
309 1 24 ASN HB3 1 135 ALA HA 3.530 . 3.530 1.989 1.812 2.188 . 0 0 "[ . 1]" 1
310 1 24 ASN HD22 1 135 ALA HA 4.770 . 4.770 4.492 4.203 4.696 . 0 0 "[ . 1]" 1
311 1 24 ASN HB2 1 136 LYS H 4.380 . 4.380 4.394 4.192 4.450 0.070 3 0 "[ . 1]" 1
312 1 24 ASN HB3 1 136 LYS H 4.570 . 4.570 3.358 3.276 3.445 . 0 0 "[ . 1]" 1
313 1 25 TYR H 1 25 TYR HB3 3.340 . 3.340 2.827 2.608 2.943 . 0 0 "[ . 1]" 1
314 1 25 TYR H 1 25 TYR HB2 3.360 . 3.360 2.286 2.199 2.452 . 0 0 "[ . 1]" 1
315 1 25 TYR HB3 1 26 ASP H 3.900 . 3.900 2.697 2.560 2.823 . 0 0 "[ . 1]" 1
316 1 25 TYR HB3 1 26 ASP HA 5.230 . 5.230 3.906 3.838 4.047 . 0 0 "[ . 1]" 1
317 1 25 TYR HB2 1 26 ASP H 4.080 . 4.080 3.716 3.597 3.844 . 0 0 "[ . 1]" 1
318 1 25 TYR H 1 26 ASP H 3.350 . 3.350 2.755 2.627 2.843 . 0 0 "[ . 1]" 1
319 1 25 TYR H 1 27 LYS H 5.410 . 5.410 4.682 4.607 4.881 . 0 0 "[ . 1]" 1
320 1 25 TYR HA 1 28 PHE H 4.100 . 4.100 3.365 3.235 3.583 . 0 0 "[ . 1]" 1
321 1 25 TYR HA 1 28 PHE HB3 5.120 . 5.120 2.620 2.340 3.047 . 0 0 "[ . 1]" 1
322 1 25 TYR HA 1 28 PHE HB2 3.650 . 3.650 3.372 3.135 3.611 . 0 0 "[ . 1]" 1
323 1 25 TYR HA 1 29 MET H 4.810 . 4.810 4.170 3.886 4.688 . 0 0 "[ . 1]" 1
324 1 26 ASP H 1 27 LYS H 3.480 . 3.480 2.983 2.882 3.074 . 0 0 "[ . 1]" 1
325 1 26 ASP HA 1 29 MET H 4.170 . 4.170 3.916 3.693 4.142 . 0 0 "[ . 1]" 1
326 1 26 ASP HA 1 29 MET QB 4.180 . 4.180 3.894 2.990 4.573 0.393 2 0 "[ . 1]" 1
327 1 27 LYS HA 1 27 LYS QG . . 3.850 2.275 2.062 2.551 . 0 0 "[ . 1]" 1
328 1 27 LYS H 1 27 LYS HB2 3.130 . 3.130 2.293 2.199 2.373 . 0 0 "[ . 1]" 1
329 1 27 LYS H 1 27 LYS HB3 3.330 . 3.330 2.821 2.679 2.956 . 0 0 "[ . 1]" 1
330 1 27 LYS H 1 27 LYS QG 4.100 . 4.100 3.981 3.873 4.076 . 0 0 "[ . 1]" 1
331 1 27 LYS HB2 1 28 PHE H 3.810 . 3.810 3.697 3.602 3.819 0.009 1 0 "[ . 1]" 1
332 1 27 LYS HB3 1 28 PHE H 3.870 . 3.870 2.697 2.578 2.909 . 0 0 "[ . 1]" 1
333 1 27 LYS H 1 28 PHE H 3.280 . 3.280 2.652 2.570 2.745 . 0 0 "[ . 1]" 1
334 1 27 LYS HA 1 30 GLU H 3.720 . 3.720 3.575 3.407 3.756 0.036 7 0 "[ . 1]" 1
335 1 27 LYS HA 1 30 GLU HG2 4.640 . 4.640 4.434 3.374 4.663 0.023 10 0 "[ . 1]" 1
336 1 27 LYS HA 1 30 GLU HG3 4.510 . 4.510 3.463 1.720 4.425 . 0 0 "[ . 1]" 1
337 1 27 LYS HA 1 30 GLU QB . . 3.130 2.617 2.318 3.230 0.100 8 0 "[ . 1]" 1
338 1 27 LYS QG 1 30 GLU QB 5.500 . 5.500 3.760 3.493 4.049 . 0 0 "[ . 1]" 1
339 1 27 LYS QG 1 30 GLU H 5.500 . 5.500 5.085 4.844 5.346 . 0 0 "[ . 1]" 1
340 1 27 LYS HB3 1 31 LYS QE 5.200 . 5.200 5.550 5.223 5.994 0.794 3 2 "[ + . - 1]" 1
341 1 27 LYS QG 1 31 LYS QE 4.310 . 4.310 3.981 3.768 4.163 . 0 0 "[ . 1]" 1
342 1 27 LYS HA 1 133 VAL QG 5.500 . 5.500 3.896 3.679 4.178 . 0 0 "[ . 1]" 1
343 1 27 LYS HB2 1 133 VAL QG 4.850 . 4.850 3.231 2.934 3.476 . 0 0 "[ . 1]" 1
344 1 27 LYS QG 1 133 VAL QG 4.690 . 4.690 1.795 1.650 1.909 . 0 0 "[ . 1]" 1
345 1 27 LYS H 1 133 VAL QG 5.260 . 5.260 4.122 3.825 4.374 . 0 0 "[ . 1]" 1
346 1 28 PHE H 1 28 PHE HB2 3.300 . 3.300 2.590 2.470 2.761 . 0 0 "[ . 1]" 1
347 1 28 PHE H 1 28 PHE HB3 3.350 . 3.350 2.482 2.307 2.608 . 0 0 "[ . 1]" 1
348 1 28 PHE HB2 1 29 MET H 4.460 . 4.460 3.923 3.783 4.042 . 0 0 "[ . 1]" 1
349 1 28 PHE HB3 1 29 MET H 3.950 . 3.950 2.586 2.435 2.750 . 0 0 "[ . 1]" 1
350 1 28 PHE HB3 1 29 MET HG3 5.500 . 5.500 4.110 3.003 5.179 . 0 0 "[ . 1]" 1
351 1 28 PHE H 1 29 MET H 3.530 . 3.530 2.827 2.722 2.910 . 0 0 "[ . 1]" 1
352 1 28 PHE H 1 30 GLU H 4.700 . 4.700 4.295 4.027 4.587 . 0 0 "[ . 1]" 1
353 1 28 PHE HA 1 31 LYS H 4.380 . 4.380 3.772 3.601 3.950 . 0 0 "[ . 1]" 1
354 1 28 PHE HA 1 31 LYS HB2 4.990 . 4.990 2.984 2.557 3.374 . 0 0 "[ . 1]" 1
355 1 28 PHE HA 1 32 MET H 5.500 . 5.500 4.533 4.053 4.826 . 0 0 "[ . 1]" 1
356 1 28 PHE HA 1 133 VAL HB 4.390 . 4.390 4.172 3.690 4.439 0.049 6 0 "[ . 1]" 1
357 1 28 PHE HA 1 133 VAL QG 3.300 . 3.300 2.738 2.293 3.088 . 0 0 "[ . 1]" 1
358 1 28 PHE HB2 1 133 VAL QG 5.500 . 5.500 2.989 2.645 3.286 . 0 0 "[ . 1]" 1
359 1 28 PHE HB3 1 133 VAL QG 4.890 . 4.890 4.195 3.827 4.560 . 0 0 "[ . 1]" 1
360 1 28 PHE H 1 133 VAL QG 4.090 . 4.090 3.114 2.693 3.426 . 0 0 "[ . 1]" 1
361 1 29 MET HA 1 29 MET HG3 4.020 . 4.020 3.355 2.838 3.703 . 0 0 "[ . 1]" 1
362 1 29 MET HA 1 29 MET HG2 3.730 . 3.730 3.102 2.388 3.819 0.089 10 0 "[ . 1]" 1
363 1 29 MET H 1 29 MET QB 3.500 . 3.500 2.568 2.291 2.838 . 0 0 "[ . 1]" 1
364 1 29 MET H 1 29 MET HG2 4.010 . 4.010 2.928 2.075 3.876 . 0 0 "[ . 1]" 1
365 1 29 MET H 1 29 MET HG3 4.300 . 4.300 2.486 1.951 2.796 . 0 0 "[ . 1]" 1
366 1 29 MET QB 1 30 GLU H . . 3.050 2.765 2.251 3.438 0.388 1 0 "[ . 1]" 1
367 1 29 MET QB 1 30 GLU QB 4.820 . 4.820 4.594 4.153 5.084 0.264 1 0 "[ . 1]" 1
368 1 29 MET HG3 1 30 GLU H 5.500 . 5.500 3.326 1.908 4.486 . 0 0 "[ . 1]" 1
369 1 29 MET H 1 30 GLU H 3.750 . 3.750 2.632 2.540 2.691 . 0 0 "[ . 1]" 1
370 1 29 MET H 1 30 GLU HA 5.210 . 5.210 5.234 5.169 5.272 0.062 6 0 "[ . 1]" 1
371 1 29 MET H 1 30 GLU QB 4.480 . 4.480 4.614 4.340 5.063 0.583 8 1 "[ . + 1]" 1
372 1 29 MET HA 1 31 LYS H 4.950 . 4.950 4.258 4.079 4.439 . 0 0 "[ . 1]" 1
373 1 29 MET HA 1 32 MET H 4.040 . 4.040 3.791 3.655 3.927 . 0 0 "[ . 1]" 1
374 1 29 MET HA 1 32 MET QG . . 5.030 4.581 3.730 5.103 0.073 9 0 "[ . 1]" 1
375 1 29 MET HA 1 32 MET HB3 4.840 . 4.840 4.932 3.917 5.409 0.569 5 1 "[ + 1]" 1
376 1 29 MET HA 1 32 MET HB2 3.750 . 3.750 3.412 3.022 3.704 . 0 0 "[ . 1]" 1
377 1 29 MET HA 1 33 GLY H 4.660 . 4.660 4.689 4.625 4.748 0.088 2 0 "[ . 1]" 1
378 1 29 MET HA 1 34 VAL H 4.780 . 4.780 4.387 4.170 4.578 . 0 0 "[ . 1]" 1
379 1 29 MET HA 1 34 VAL HB 5.500 . 5.500 3.963 3.665 4.286 . 0 0 "[ . 1]" 1
380 1 29 MET QB 1 34 VAL H 5.500 . 5.500 4.226 4.026 4.400 . 0 0 "[ . 1]" 1
381 1 29 MET QB 1 34 VAL HB 4.370 . 4.370 2.677 2.390 2.893 . 0 0 "[ . 1]" 1
382 1 29 MET QB 1 39 ARG HE 5.500 . 5.500 4.027 2.785 5.125 . 0 0 "[ . 1]" 1
383 1 29 MET QB 1 39 ARG QD . . 4.190 2.804 2.311 3.158 . 0 0 "[ . 1]" 1
384 1 29 MET QB 1 39 ARG HB3 4.680 . 4.680 3.763 3.386 4.057 . 0 0 "[ . 1]" 1
385 1 29 MET QB 1 39 ARG HG2 5.500 . 5.500 2.420 1.910 2.824 . 0 0 "[ . 1]" 1
386 1 29 MET QB 1 39 ARG HA 4.680 . 4.680 3.829 3.655 3.973 . 0 0 "[ . 1]" 1
387 1 29 MET H 1 133 VAL QG 5.470 . 5.470 4.976 4.528 5.329 . 0 0 "[ . 1]" 1
388 1 30 GLU HA 1 30 GLU HG2 3.820 . 3.820 2.636 2.333 3.015 . 0 0 "[ . 1]" 1
389 1 30 GLU HA 1 30 GLU HG3 3.670 . 3.670 3.686 3.591 3.761 0.091 5 0 "[ . 1]" 1
390 1 30 GLU H 1 30 GLU QB 3.240 . 3.240 2.444 2.188 2.943 . 0 0 "[ . 1]" 1
391 1 30 GLU H 1 30 GLU HG2 4.050 . 4.050 2.505 2.074 2.863 . 0 0 "[ . 1]" 1
392 1 30 GLU H 1 30 GLU HG3 4.290 . 4.290 3.144 2.039 3.938 . 0 0 "[ . 1]" 1
393 1 30 GLU QB 1 31 LYS H 3.870 . 3.870 2.770 2.619 2.933 . 0 0 "[ . 1]" 1
394 1 30 GLU H 1 31 LYS H 3.680 . 3.680 2.694 2.597 2.796 . 0 0 "[ . 1]" 1
395 1 30 GLU HA 1 32 MET H 4.980 . 4.980 4.708 4.603 4.809 . 0 0 "[ . 1]" 1
396 1 30 GLU H 1 32 MET H 5.110 . 5.110 4.653 4.468 4.824 . 0 0 "[ . 1]" 1
397 1 30 GLU HA 1 33 GLY H 4.070 . 4.070 3.445 3.292 3.613 . 0 0 "[ . 1]" 1
398 1 30 GLU H 1 33 GLY H 5.500 . 5.500 4.957 4.889 5.042 . 0 0 "[ . 1]" 1
399 1 30 GLU HA 1 34 VAL H 4.180 . 4.180 3.408 3.111 3.713 . 0 0 "[ . 1]" 1
400 1 30 GLU HA 1 39 ARG HE 5.500 . 5.500 5.346 4.985 5.508 0.008 4 0 "[ . 1]" 1
401 1 30 GLU HA 1 39 ARG QD . . 4.190 3.219 2.843 3.496 . 0 0 "[ . 1]" 1
402 1 30 GLU HA 1 39 ARG HG2 4.920 . 4.920 4.981 4.927 5.030 0.110 6 0 "[ . 1]" 1
403 1 30 GLU QB 1 39 ARG QD . . 4.030 4.440 4.152 4.924 0.894 6 3 "[ .+- *1]" 1
404 1 30 GLU HG2 1 39 ARG HG2 5.500 . 5.500 4.921 4.555 5.350 . 0 0 "[ . 1]" 1
405 1 30 GLU HG2 1 39 ARG QD 5.500 . 5.500 3.083 2.523 4.029 . 0 0 "[ . 1]" 1
406 1 30 GLU H 1 39 ARG QD 4.300 . 4.300 4.019 3.680 4.271 . 0 0 "[ . 1]" 1
407 1 30 GLU H 1 133 VAL QG 5.480 . 5.480 5.532 5.130 5.735 0.255 3 0 "[ . 1]" 1
408 1 31 LYS HA 1 31 LYS QE 5.220 . 5.220 4.466 4.162 4.691 . 0 0 "[ . 1]" 1
409 1 31 LYS HA 1 31 LYS HD2 3.410 . 3.410 3.391 3.100 3.471 0.061 9 0 "[ . 1]" 1
410 1 31 LYS HA 1 31 LYS HB3 2.950 . 2.950 2.918 2.734 2.990 0.040 3 0 "[ . 1]" 1
411 1 31 LYS HA 1 31 LYS HG2 3.260 . 3.260 3.083 2.202 3.475 0.215 1 0 "[ . 1]" 1
412 1 31 LYS H 1 31 LYS HB3 3.670 . 3.670 3.072 2.828 3.466 . 0 0 "[ . 1]" 1
413 1 31 LYS H 1 31 LYS HD3 4.240 . 4.240 4.383 3.951 5.111 0.871 7 3 "[ - + *1]" 1
414 1 31 LYS H 1 31 LYS HB2 3.330 . 3.330 2.176 2.067 2.285 . 0 0 "[ . 1]" 1
415 1 31 LYS H 1 31 LYS HG2 4.990 . 4.990 4.249 3.015 4.675 . 0 0 "[ . 1]" 1
416 1 31 LYS H 1 31 LYS HD2 5.200 . 5.200 4.746 3.880 5.118 . 0 0 "[ . 1]" 1
417 1 31 LYS H 1 31 LYS HG3 5.500 . 5.500 4.162 3.866 4.304 . 0 0 "[ . 1]" 1
418 1 31 LYS HB2 1 32 MET H 3.970 . 3.970 3.213 2.640 3.539 . 0 0 "[ . 1]" 1
419 1 31 LYS HB3 1 32 MET H 5.350 . 5.350 2.399 2.127 2.764 . 0 0 "[ . 1]" 1
420 1 31 LYS HG3 1 32 MET H 5.490 . 5.490 4.547 4.302 4.820 . 0 0 "[ . 1]" 1
421 1 31 LYS H 1 32 MET HA 5.500 . 5.500 5.437 5.289 5.531 0.031 9 0 "[ . 1]" 1
422 1 31 LYS H 1 32 MET H 3.570 . 3.570 2.889 2.686 3.032 . 0 0 "[ . 1]" 1
423 1 31 LYS H 1 33 GLY H 4.750 . 4.750 3.969 3.881 4.037 . 0 0 "[ . 1]" 1
424 1 31 LYS QE 1 131 GLU HB2 3.730 . 3.730 1.794 1.688 1.999 . 0 0 "[ . 1]" 1
425 1 31 LYS QE 1 131 GLU HG3 . . 4.070 3.224 2.033 3.618 . 0 0 "[ . 1]" 1
426 1 31 LYS QE 1 131 GLU H 5.500 . 5.500 4.532 4.122 4.915 . 0 0 "[ . 1]" 1
427 1 31 LYS QE 1 132 GLY H 5.500 . 5.500 4.729 4.554 4.867 . 0 0 "[ . 1]" 1
428 1 31 LYS HB3 1 133 VAL QG 4.450 . 4.450 4.144 3.931 4.464 0.014 1 0 "[ . 1]" 1
429 1 31 LYS HD2 1 133 VAL QG 4.720 . 4.720 2.962 2.010 3.782 . 0 0 "[ . 1]" 1
430 1 31 LYS HD3 1 133 VAL QG 3.550 . 3.550 2.524 1.749 3.711 0.161 8 0 "[ . 1]" 1
431 1 31 LYS QE 1 133 VAL H 5.480 . 5.480 3.201 2.536 4.091 . 0 0 "[ . 1]" 1
432 1 31 LYS QE 1 133 VAL QG 3.950 . 3.950 1.920 1.707 2.130 . 0 0 "[ . 1]" 1
433 1 31 LYS HG2 1 133 VAL QG 5.290 . 5.290 3.515 2.147 4.229 . 0 0 "[ . 1]" 1
434 1 31 LYS HG3 1 133 VAL QG 4.750 . 4.750 3.557 1.894 4.582 . 0 0 "[ . 1]" 1
435 1 31 LYS H 1 133 VAL QG 4.850 . 4.850 4.455 3.975 4.739 . 0 0 "[ . 1]" 1
436 1 32 MET HA 1 32 MET QG 3.980 . 3.980 2.308 2.131 2.630 . 0 0 "[ . 1]" 1
437 1 32 MET H 1 32 MET HB2 3.550 . 3.550 2.263 2.049 2.473 . 0 0 "[ . 1]" 1
438 1 32 MET H 1 32 MET QG 4.070 . 4.070 3.138 2.339 3.860 . 0 0 "[ . 1]" 1
439 1 32 MET H 1 32 MET HB3 3.750 . 3.750 3.485 3.225 3.593 . 0 0 "[ . 1]" 1
440 1 32 MET HB2 1 33 GLY H 4.390 . 4.390 3.042 2.819 3.468 . 0 0 "[ . 1]" 1
441 1 32 MET HB3 1 33 GLY H 4.780 . 4.780 3.538 3.083 3.898 . 0 0 "[ . 1]" 1
442 1 32 MET H 1 33 GLY H 3.590 . 3.590 2.695 2.654 2.770 . 0 0 "[ . 1]" 1
443 1 32 MET HB2 1 34 VAL H 4.930 . 4.930 3.578 3.232 4.014 . 0 0 "[ . 1]" 1
444 1 32 MET QG 1 130 TYR QB 5.500 . 5.500 5.226 4.425 6.280 0.780 2 2 "[ + .- 1]" 1
445 1 33 GLY HA2 1 34 VAL HB 5.280 . 5.280 5.206 5.143 5.265 . 0 0 "[ . 1]" 1
446 1 33 GLY H 1 34 VAL H 3.150 . 3.150 2.149 2.110 2.235 . 0 0 "[ . 1]" 1
447 1 33 GLY H 1 34 VAL HB 4.440 . 4.440 4.468 4.432 4.507 0.067 6 0 "[ . 1]" 1
448 1 33 GLY H 1 34 VAL HA 5.500 . 5.500 4.726 4.677 4.856 . 0 0 "[ . 1]" 1
449 1 34 VAL H 1 34 VAL HB 3.200 . 3.200 2.538 2.497 2.573 . 0 0 "[ . 1]" 1
450 1 34 VAL HA 1 35 ASN H 2.800 . 2.800 2.190 2.162 2.248 . 0 0 "[ . 1]" 1
451 1 34 VAL HA 1 35 ASN HB2 4.490 . 4.490 4.504 4.423 4.530 0.040 4 0 "[ . 1]" 1
452 1 34 VAL HA 1 35 ASN HB3 4.700 . 4.700 4.557 4.475 4.713 0.013 8 0 "[ . 1]" 1
453 1 34 VAL HA 1 35 ASN HA 4.380 . 4.380 4.355 4.344 4.366 . 0 0 "[ . 1]" 1
454 1 34 VAL HB 1 35 ASN H 4.770 . 4.770 3.985 3.853 4.069 . 0 0 "[ . 1]" 1
455 1 34 VAL H 1 35 ASN H 4.560 . 4.560 4.596 4.573 4.613 0.053 6 0 "[ . 1]" 1
456 1 34 VAL HA 1 38 LYS HB3 5.500 . 5.500 4.278 4.138 4.461 . 0 0 "[ . 1]" 1
457 1 34 VAL HA 1 38 LYS HG2 5.310 . 5.310 5.141 4.237 5.342 0.032 6 0 "[ . 1]" 1
458 1 34 VAL HA 1 38 LYS HB2 5.220 . 5.220 3.746 3.581 3.946 . 0 0 "[ . 1]" 1
459 1 34 VAL HB 1 39 ARG QD 5.110 . 5.110 2.682 2.287 2.905 . 0 0 "[ . 1]" 1
460 1 34 VAL HB 1 39 ARG HG3 4.700 . 4.700 2.753 2.340 2.990 . 0 0 "[ . 1]" 1
461 1 34 VAL HB 1 39 ARG H 5.500 . 5.500 4.601 4.480 4.754 . 0 0 "[ . 1]" 1
462 1 34 VAL H 1 39 ARG QD 5.500 . 5.500 4.004 3.735 4.286 . 0 0 "[ . 1]" 1
463 1 35 ASN HA 1 35 ASN HD22 5.270 . 5.270 4.626 4.537 4.667 . 0 0 "[ . 1]" 1
464 1 35 ASN HA 1 35 ASN HD21 4.500 . 4.500 4.313 4.222 4.352 . 0 0 "[ . 1]" 1
465 1 35 ASN H 1 35 ASN HD21 5.500 . 5.500 4.440 4.376 4.606 . 0 0 "[ . 1]" 1
466 1 35 ASN H 1 35 ASN HB2 3.280 . 3.280 2.636 2.427 2.771 . 0 0 "[ . 1]" 1
467 1 35 ASN H 1 35 ASN HB3 3.300 . 3.300 2.392 2.338 2.533 . 0 0 "[ . 1]" 1
468 1 35 ASN HA 1 36 ILE HA 4.690 . 4.690 4.302 4.293 4.307 . 0 0 "[ . 1]" 1
469 1 35 ASN HA 1 36 ILE H 2.840 . 2.840 2.292 2.256 2.335 . 0 0 "[ . 1]" 1
470 1 35 ASN HB2 1 36 ILE H 4.000 . 4.000 3.899 3.815 3.993 . 0 0 "[ . 1]" 1
471 1 35 ASN HB3 1 36 ILE H 3.940 . 3.940 3.866 3.775 3.929 . 0 0 "[ . 1]" 1
472 1 35 ASN HD22 1 36 ILE H 5.430 . 5.430 3.776 3.634 3.908 . 0 0 "[ . 1]" 1
473 1 35 ASN HD21 1 36 ILE H 5.060 . 5.060 4.068 3.848 4.186 . 0 0 "[ . 1]" 1
474 1 35 ASN H 1 36 ILE H 4.660 . 4.660 4.610 4.587 4.621 . 0 0 "[ . 1]" 1
475 1 35 ASN HA 1 37 VAL H 4.460 . 4.460 4.384 4.305 4.444 . 0 0 "[ . 1]" 1
476 1 35 ASN HB2 1 37 VAL H 4.540 . 4.540 4.648 4.612 4.687 0.147 10 0 "[ . 1]" 1
477 1 35 ASN HB3 1 37 VAL H 4.660 . 4.660 3.600 3.462 3.654 . 0 0 "[ . 1]" 1
478 1 35 ASN HD22 1 37 VAL H 5.230 . 5.230 2.397 2.334 2.551 . 0 0 "[ . 1]" 1
479 1 35 ASN HD22 1 37 VAL HA 5.500 . 5.500 4.674 4.574 4.876 . 0 0 "[ . 1]" 1
480 1 35 ASN HD22 1 37 VAL HB 5.500 . 5.500 2.788 2.609 3.105 . 0 0 "[ . 1]" 1
481 1 35 ASN HA 1 38 LYS H 5.500 . 5.500 4.556 4.438 4.679 . 0 0 "[ . 1]" 1
482 1 35 ASN HB2 1 38 LYS H 4.920 . 4.920 4.326 4.114 4.451 . 0 0 "[ . 1]" 1
483 1 35 ASN HB2 1 38 LYS HB2 4.590 . 4.590 4.097 3.732 4.239 . 0 0 "[ . 1]" 1
484 1 35 ASN HB2 1 38 LYS HG2 5.060 . 5.060 3.917 3.145 4.225 . 0 0 "[ . 1]" 1
485 1 35 ASN HB3 1 38 LYS H 4.350 . 4.350 2.644 2.396 2.762 . 0 0 "[ . 1]" 1
486 1 35 ASN HB3 1 38 LYS HB2 4.280 . 4.280 2.708 2.450 2.803 . 0 0 "[ . 1]" 1
487 1 35 ASN HB3 1 38 LYS HG2 4.310 . 4.310 2.465 2.180 2.776 . 0 0 "[ . 1]" 1
488 1 35 ASN HB3 1 38 LYS HA 4.980 . 4.980 4.760 4.388 4.995 0.015 1 0 "[ . 1]" 1
489 1 35 ASN HD22 1 38 LYS H 4.700 . 4.700 3.870 3.744 3.974 . 0 0 "[ . 1]" 1
490 1 35 ASN HD22 1 38 LYS HG2 5.230 . 5.230 4.803 4.348 5.448 0.218 8 0 "[ . 1]" 1
491 1 35 ASN HD21 1 38 LYS HB2 5.500 . 5.500 4.028 3.971 4.114 . 0 0 "[ . 1]" 1
492 1 35 ASN HD21 1 38 LYS HG3 5.500 . 5.500 4.572 4.191 5.375 . 0 0 "[ . 1]" 1
493 1 35 ASN HD21 1 38 LYS HG2 5.430 . 5.430 3.109 2.634 3.897 . 0 0 "[ . 1]" 1
494 1 35 ASN H 1 38 LYS HB2 4.520 . 4.520 2.367 2.238 2.493 . 0 0 "[ . 1]" 1
495 1 35 ASN H 1 38 LYS HG2 5.040 . 5.040 3.487 2.725 3.718 . 0 0 "[ . 1]" 1
496 1 35 ASN H 1 38 LYS HB3 5.230 . 5.230 3.654 3.554 3.830 . 0 0 "[ . 1]" 1
497 1 35 ASN H 1 39 ARG H 5.500 . 5.500 4.413 4.185 4.568 . 0 0 "[ . 1]" 1
498 1 36 ILE HA 1 36 ILE QG 3.610 . 3.610 2.332 2.277 2.386 . 0 0 "[ . 1]" 1
499 1 36 ILE HA 1 36 ILE HB 2.890 . 2.890 2.439 2.425 2.455 . 0 0 "[ . 1]" 1
500 1 36 ILE H 1 36 ILE QG 4.330 . 4.330 3.982 3.971 4.006 . 0 0 "[ . 1]" 1
501 1 36 ILE H 1 36 ILE HB 3.020 . 3.020 2.478 2.425 2.509 . 0 0 "[ . 1]" 1
502 1 36 ILE HB 1 37 VAL H 3.830 . 3.830 3.893 3.862 3.915 0.085 8 0 "[ . 1]" 1
503 1 36 ILE QG 1 37 VAL H . . 5.050 3.741 3.509 4.167 . 0 0 "[ . 1]" 1
504 1 36 ILE H 1 37 VAL HB 5.500 . 5.500 5.307 5.202 5.453 . 0 0 "[ . 1]" 1
505 1 36 ILE H 1 37 VAL H 3.580 . 3.580 2.951 2.864 2.995 . 0 0 "[ . 1]" 1
506 1 36 ILE HA 1 39 ARG H 3.690 . 3.690 3.563 3.450 3.711 0.021 3 0 "[ . 1]" 1
507 1 36 ILE HA 1 39 ARG HE 5.070 . 5.070 4.129 2.863 5.080 0.010 5 0 "[ . 1]" 1
508 1 36 ILE HA 1 39 ARG HB3 3.900 . 3.900 4.400 3.966 4.802 0.902 3 4 "[ *+ . - *]" 1
509 1 36 ILE HA 1 39 ARG HB2 3.890 . 3.890 2.805 2.456 3.239 . 0 0 "[ . 1]" 1
510 1 36 ILE HA 1 39 ARG HG2 4.810 . 4.810 4.832 4.748 4.896 0.086 8 0 "[ . 1]" 1
511 1 36 ILE HA 1 39 ARG QD . . 4.560 3.422 2.436 4.339 . 0 0 "[ . 1]" 1
512 1 36 ILE HB 1 39 ARG QD 5.500 . 5.500 5.136 4.196 6.053 0.553 1 1 "[+ . 1]" 1
513 1 36 ILE QG 1 40 LYS H . . 5.300 4.693 4.427 5.111 . 0 0 "[ . 1]" 1
514 1 37 VAL H 1 37 VAL HB 2.910 . 2.910 2.614 2.535 2.693 . 0 0 "[ . 1]" 1
515 1 37 VAL HA 1 38 LYS HA 5.500 . 5.500 4.781 4.758 4.802 . 0 0 "[ . 1]" 1
516 1 37 VAL HB 1 38 LYS H 3.290 . 3.290 2.639 2.560 2.759 . 0 0 "[ . 1]" 1
517 1 37 VAL HB 1 38 LYS HG3 5.370 . 5.370 5.314 5.040 5.612 0.242 1 0 "[ . 1]" 1
518 1 37 VAL HA 1 40 LYS H 3.870 . 3.870 3.358 3.294 3.443 . 0 0 "[ . 1]" 1
519 1 37 VAL HA 1 40 LYS HG2 5.230 . 5.230 3.543 2.620 4.369 . 0 0 "[ . 1]" 1
520 1 37 VAL HA 1 41 LEU H 4.750 . 4.750 4.739 4.572 4.798 0.048 6 0 "[ . 1]" 1
521 1 38 LYS HA 1 38 LYS HG2 3.920 . 3.920 3.130 2.861 3.736 . 0 0 "[ . 1]" 1
522 1 38 LYS HA 1 38 LYS HG3 3.800 . 3.800 3.569 2.900 3.727 . 0 0 "[ . 1]" 1
523 1 38 LYS H 1 38 LYS HB2 3.220 . 3.220 2.325 2.254 2.420 . 0 0 "[ . 1]" 1
524 1 38 LYS H 1 38 LYS HG2 3.400 . 3.400 2.670 2.268 3.485 0.085 8 0 "[ . 1]" 1
525 1 38 LYS H 1 38 LYS HG3 3.890 . 3.890 3.872 3.685 4.206 0.316 1 0 "[ . 1]" 1
526 1 38 LYS H 1 38 LYS HB3 3.670 . 3.670 3.554 3.531 3.575 . 0 0 "[ . 1]" 1
527 1 38 LYS HB3 1 39 ARG H 4.290 . 4.290 3.634 3.476 3.779 . 0 0 "[ . 1]" 1
528 1 38 LYS HG3 1 39 ARG H 5.500 . 5.500 5.177 4.992 5.360 . 0 0 "[ . 1]" 1
529 1 38 LYS H 1 39 ARG H 3.140 . 3.140 2.579 2.552 2.598 . 0 0 "[ . 1]" 1
530 1 38 LYS H 1 39 ARG HA 5.170 . 5.170 5.210 5.193 5.229 0.059 10 0 "[ . 1]" 1
531 1 38 LYS HA 1 41 LEU H 3.910 . 3.910 3.876 3.785 3.937 0.027 7 0 "[ . 1]" 1
532 1 38 LYS HB3 1 41 LEU H 5.500 . 5.500 5.818 5.711 5.875 0.375 2 0 "[ . 1]" 1
533 1 38 LYS H 1 41 LEU H 5.350 . 5.350 5.408 5.331 5.451 0.101 5 0 "[ . 1]" 1
534 1 39 ARG HA 1 39 ARG HG2 3.700 . 3.700 2.616 2.397 3.061 . 0 0 "[ . 1]" 1
535 1 39 ARG HA 1 39 ARG HG3 3.320 . 3.320 3.132 2.289 3.452 0.132 2 0 "[ . 1]" 1
536 1 39 ARG HA 1 39 ARG QD 5.040 . 5.040 4.027 3.781 4.287 . 0 0 "[ . 1]" 1
537 1 39 ARG HB2 1 39 ARG HE 4.290 . 4.290 2.849 2.293 3.283 . 0 0 "[ . 1]" 1
538 1 39 ARG HB3 1 39 ARG HE 4.590 . 4.590 2.418 1.964 2.709 . 0 0 "[ . 1]" 1
539 1 39 ARG H 1 39 ARG HB3 3.630 . 3.630 3.602 3.516 3.635 0.005 2 0 "[ . 1]" 1
540 1 39 ARG H 1 39 ARG HB2 3.350 . 3.350 2.481 2.224 2.618 . 0 0 "[ . 1]" 1
541 1 39 ARG H 1 39 ARG QD 5.500 . 5.500 3.947 3.059 4.422 . 0 0 "[ . 1]" 1
542 1 39 ARG H 1 39 ARG HG2 4.170 . 4.170 3.446 3.090 4.232 0.062 6 0 "[ . 1]" 1
543 1 39 ARG HB2 1 40 LYS HA 4.800 . 4.800 4.355 4.230 4.716 . 0 0 "[ . 1]" 1
544 1 39 ARG HB2 1 40 LYS H 4.420 . 4.420 3.116 2.926 3.293 . 0 0 "[ . 1]" 1
545 1 39 ARG HG3 1 40 LYS H 5.020 . 5.020 4.518 4.312 4.915 . 0 0 "[ . 1]" 1
546 1 39 ARG H 1 40 LYS H 3.360 . 3.360 2.506 2.435 2.586 . 0 0 "[ . 1]" 1
547 1 39 ARG HA 1 41 LEU H 4.690 . 4.690 4.719 4.697 4.752 0.062 5 0 "[ . 1]" 1
548 1 39 ARG H 1 41 LEU H 4.860 . 4.860 4.708 4.654 4.767 . 0 0 "[ . 1]" 1
549 1 39 ARG HA 1 42 ALA H 4.170 . 4.170 3.656 3.596 3.805 . 0 0 "[ . 1]" 1
550 1 39 ARG HA 1 43 ALA H 5.020 . 5.020 4.202 4.045 4.342 . 0 0 "[ . 1]" 1
551 1 40 LYS HA 1 40 LYS HG2 3.470 . 3.470 2.441 2.253 3.140 . 0 0 "[ . 1]" 1
552 1 40 LYS HA 1 40 LYS HG3 3.300 . 3.300 3.538 3.238 3.707 0.407 10 0 "[ . 1]" 1
553 1 40 LYS H 1 40 LYS HG2 3.340 . 3.340 2.906 2.552 3.360 0.020 4 0 "[ . 1]" 1
554 1 40 LYS H 1 40 LYS HG3 3.810 . 3.810 3.103 2.503 4.065 0.255 1 0 "[ . 1]" 1
555 1 40 LYS HG2 1 41 LEU H 5.500 . 5.500 4.711 4.561 4.899 . 0 0 "[ . 1]" 1
556 1 40 LYS H 1 41 LEU H 3.190 . 3.190 2.826 2.712 2.913 . 0 0 "[ . 1]" 1
557 1 40 LYS H 1 41 LEU QB 5.130 . 5.130 5.433 5.323 5.497 0.367 2 0 "[ . 1]" 1
558 1 40 LYS H 1 41 LEU HG 5.500 . 5.500 4.239 4.041 4.359 . 0 0 "[ . 1]" 1
559 1 40 LYS HA 1 42 ALA H 4.790 . 4.790 4.712 4.625 4.811 0.021 5 0 "[ . 1]" 1
560 1 40 LYS H 1 42 ALA H 5.410 . 5.410 3.980 3.827 4.121 . 0 0 "[ . 1]" 1
561 1 40 LYS HA 1 43 ALA H 4.050 . 4.050 4.070 4.013 4.162 0.112 7 0 "[ . 1]" 1
562 1 40 LYS HA 1 44 HIS HD2 3.570 . 3.570 2.973 2.887 3.043 . 0 0 "[ . 1]" 1
563 1 40 LYS H 1 44 HIS HD2 5.500 . 5.500 5.569 5.524 5.601 0.101 10 0 "[ . 1]" 1
564 1 41 LEU H 1 41 LEU QB . . 3.360 2.942 2.892 2.980 . 0 0 "[ . 1]" 1
565 1 41 LEU H 1 41 LEU HG 3.730 . 3.730 1.925 1.848 2.040 . 0 0 "[ . 1]" 1
566 1 41 LEU QB 1 42 ALA H 3.810 . 3.810 3.404 3.285 3.512 . 0 0 "[ . 1]" 1
567 1 41 LEU HG 1 42 ALA H 5.180 . 5.180 3.468 3.207 3.572 . 0 0 "[ . 1]" 1
568 1 41 LEU H 1 42 ALA H 3.130 . 3.130 2.502 2.442 2.580 . 0 0 "[ . 1]" 1
569 1 41 LEU QB 1 43 ALA H 4.740 . 4.740 4.559 4.547 4.573 . 0 0 "[ . 1]" 1
570 1 41 LEU H 1 43 ALA H 3.990 . 3.990 3.918 3.849 3.975 . 0 0 "[ . 1]" 1
571 1 41 LEU HA 1 44 HIS HB3 5.370 . 5.370 4.849 4.652 5.013 . 0 0 "[ . 1]" 1
572 1 41 LEU HA 1 44 HIS HB2 4.720 . 4.720 3.219 2.999 3.376 . 0 0 "[ . 1]" 1
573 1 41 LEU HA 1 44 HIS H 4.970 . 4.970 3.045 2.875 3.135 . 0 0 "[ . 1]" 1
574 1 41 LEU QB 1 44 HIS H 5.380 . 5.380 4.540 4.390 4.655 . 0 0 "[ . 1]" 1
575 1 42 ALA H 1 43 ALA H 3.510 . 3.510 2.583 2.532 2.637 . 0 0 "[ . 1]" 1
576 1 42 ALA H 1 43 ALA HA 5.360 . 5.360 5.194 5.122 5.255 . 0 0 "[ . 1]" 1
577 1 42 ALA HA 1 44 HIS H 5.500 . 5.500 4.503 4.407 4.577 . 0 0 "[ . 1]" 1
578 1 42 ALA H 1 44 HIS H 5.490 . 5.490 4.140 4.099 4.178 . 0 0 "[ . 1]" 1
579 1 42 ALA HA 1 45 ASP HB3 3.460 . 3.460 2.921 2.662 4.444 0.984 7 1 "[ . + 1]" 1
580 1 42 ALA HA 1 66 PHE HZ 4.010 . 4.010 4.053 4.034 4.096 0.086 3 0 "[ . 1]" 1
581 1 43 ALA HA 1 44 HIS HA 5.160 . 5.160 4.591 4.560 4.619 . 0 0 "[ . 1]" 1
582 1 43 ALA H 1 44 HIS H 3.220 . 3.220 2.109 2.043 2.150 . 0 0 "[ . 1]" 1
583 1 43 ALA H 1 44 HIS HA 5.210 . 5.210 4.845 4.773 4.894 . 0 0 "[ . 1]" 1
584 1 44 HIS HB2 1 44 HIS HD2 3.250 . 3.250 2.860 2.785 2.926 . 0 0 "[ . 1]" 1
585 1 44 HIS H 1 44 HIS HB2 3.500 . 3.500 2.627 2.569 2.684 . 0 0 "[ . 1]" 1
586 1 44 HIS H 1 44 HIS HB3 3.860 . 3.860 3.742 3.706 3.781 . 0 0 "[ . 1]" 1
587 1 44 HIS H 1 44 HIS HD2 4.010 . 4.010 2.853 2.690 3.096 . 0 0 "[ . 1]" 1
588 1 44 HIS HA 1 45 ASP H 3.130 . 3.130 2.783 2.757 2.807 . 0 0 "[ . 1]" 1
589 1 44 HIS HA 1 45 ASP HA 5.300 . 5.300 4.654 4.606 4.674 . 0 0 "[ . 1]" 1
590 1 44 HIS HB3 1 45 ASP H 4.430 . 4.430 4.490 4.474 4.508 0.078 7 0 "[ . 1]" 1
591 1 44 HIS HB2 1 45 ASP H 5.500 . 5.500 4.229 4.215 4.261 . 0 0 "[ . 1]" 1
592 1 44 HIS H 1 45 ASP H 3.330 . 3.330 2.844 2.766 2.910 . 0 0 "[ . 1]" 1
593 1 44 HIS HA 1 46 ASN HD22 5.500 . 5.500 4.314 4.074 4.716 . 0 0 "[ . 1]" 1
594 1 44 HIS HA 1 46 ASN H 3.800 . 3.800 3.376 3.313 3.423 . 0 0 "[ . 1]" 1
595 1 44 HIS HB3 1 46 ASN HD22 5.500 . 5.500 3.557 3.358 4.056 . 0 0 "[ . 1]" 1
596 1 44 HIS HB3 1 46 ASN HD21 5.500 . 5.500 4.245 3.768 4.832 . 0 0 "[ . 1]" 1
597 1 44 HIS HB3 1 46 ASN H 5.500 . 5.500 4.961 4.829 5.018 . 0 0 "[ . 1]" 1
598 1 44 HIS H 1 46 ASN H 4.960 . 4.960 5.034 4.966 5.074 0.114 10 0 "[ . 1]" 1
599 1 45 ASP H 1 45 ASP HB3 3.340 . 3.340 2.234 2.117 3.128 . 0 0 "[ . 1]" 1
600 1 45 ASP H 1 45 ASP HB2 3.910 . 3.910 3.323 2.218 3.466 . 0 0 "[ . 1]" 1
601 1 45 ASP H 1 46 ASN H 3.160 . 3.160 2.504 2.420 2.576 . 0 0 "[ . 1]" 1
602 1 45 ASP H 1 46 ASN HD21 4.820 . 4.820 4.558 4.278 4.835 0.015 8 0 "[ . 1]" 1
603 1 45 ASP H 1 46 ASN HA 4.910 . 4.910 4.772 4.680 4.844 . 0 0 "[ . 1]" 1
604 1 45 ASP HA 1 47 LEU H 5.230 . 5.230 5.211 5.037 5.298 0.068 7 0 "[ . 1]" 1
605 1 45 ASP HB2 1 47 LEU H 5.210 . 5.210 4.952 4.695 5.069 . 0 0 "[ . 1]" 1
606 1 45 ASP H 1 47 LEU H 4.840 . 4.840 4.459 4.268 4.553 . 0 0 "[ . 1]" 1
607 1 45 ASP H 1 47 LEU HB2 5.500 . 5.500 5.438 5.325 5.539 0.039 3 0 "[ . 1]" 1
608 1 45 ASP HB2 1 64 SER QB . . 3.880 2.548 2.286 3.499 . 0 0 "[ . 1]" 1
609 1 45 ASP HB2 1 64 SER HA 4.880 . 4.880 3.879 3.604 5.501 0.621 7 1 "[ . + 1]" 1
610 1 45 ASP HA 1 65 ALA H 3.870 . 3.870 2.877 2.719 3.302 . 0 0 "[ . 1]" 1
611 1 45 ASP HB3 1 65 ALA H 4.390 . 4.390 4.013 2.849 4.245 . 0 0 "[ . 1]" 1
612 1 45 ASP HB2 1 65 ALA H 4.430 . 4.430 2.652 2.369 4.075 . 0 0 "[ . 1]" 1
613 1 45 ASP H 1 65 ALA H 5.270 . 5.270 5.271 5.150 5.340 0.070 7 0 "[ . 1]" 1
614 1 46 ASN HA 1 46 ASN HD22 5.290 . 5.290 4.283 4.078 4.598 . 0 0 "[ . 1]" 1
615 1 46 ASN HB3 1 46 ASN HD22 4.090 . 4.090 4.056 4.025 4.081 . 0 0 "[ . 1]" 1
616 1 46 ASN HB2 1 46 ASN HD22 3.550 . 3.550 3.495 3.462 3.530 . 0 0 "[ . 1]" 1
617 1 46 ASN H 1 46 ASN HA 2.850 . 2.850 2.277 2.269 2.285 . 0 0 "[ . 1]" 1
618 1 46 ASN H 1 46 ASN HB3 4.120 . 4.120 4.116 4.046 4.139 0.019 10 0 "[ . 1]" 1
619 1 46 ASN H 1 46 ASN HD21 5.440 . 5.440 3.377 3.067 3.717 . 0 0 "[ . 1]" 1
620 1 46 ASN H 1 46 ASN HB2 3.870 . 3.870 3.564 3.481 3.703 . 0 0 "[ . 1]" 1
621 1 46 ASN HA 1 47 LEU H 3.490 . 3.490 2.606 2.567 2.701 . 0 0 "[ . 1]" 1
622 1 46 ASN HB3 1 47 LEU H 4.430 . 4.430 4.388 4.355 4.446 0.016 3 0 "[ . 1]" 1
623 1 46 ASN HB2 1 47 LEU H 4.740 . 4.740 4.376 4.295 4.414 . 0 0 "[ . 1]" 1
624 1 46 ASN H 1 47 LEU H 3.500 . 3.500 2.662 2.618 2.703 . 0 0 "[ . 1]" 1
625 1 46 ASN HB3 1 64 SER HA 5.410 . 5.410 5.515 4.924 6.063 0.653 3 3 "[ +*. - 1]" 1
626 1 46 ASN HB2 1 64 SER HA 4.870 . 4.870 4.479 3.968 5.169 0.299 4 0 "[ . 1]" 1
627 1 46 ASN HB2 1 65 ALA H 4.400 . 4.400 4.679 4.361 4.996 0.596 4 1 "[ +. 1]" 1
628 1 47 LEU HA 1 47 LEU HG 3.980 . 3.980 2.923 2.806 3.055 . 0 0 "[ . 1]" 1
629 1 47 LEU H 1 47 LEU HB3 3.240 . 3.240 2.562 2.334 2.711 . 0 0 "[ . 1]" 1
630 1 47 LEU H 1 47 LEU HB2 3.390 . 3.390 2.414 2.273 2.681 . 0 0 "[ . 1]" 1
631 1 47 LEU HA 1 48 LYS HB2 5.480 . 5.480 4.334 4.245 4.578 . 0 0 "[ . 1]" 1
632 1 47 LEU HA 1 48 LYS H 3.120 . 3.120 2.144 2.121 2.174 . 0 0 "[ . 1]" 1
633 1 47 LEU HB3 1 48 LYS H 5.020 . 5.020 4.319 4.196 4.488 . 0 0 "[ . 1]" 1
634 1 47 LEU HG 1 48 LYS H 5.020 . 5.020 3.373 3.116 3.551 . 0 0 "[ . 1]" 1
635 1 47 LEU H 1 48 LYS H 4.500 . 4.500 4.411 4.338 4.485 . 0 0 "[ . 1]" 1
636 1 47 LEU HG 1 62 GLU HB3 5.500 . 5.500 3.531 2.977 4.375 . 0 0 "[ . 1]" 1
637 1 47 LEU HG 1 62 GLU HG2 4.090 . 4.090 3.682 3.125 4.135 0.045 8 0 "[ . 1]" 1
638 1 47 LEU HA 1 64 SER QB 4.130 . 4.130 4.250 3.482 4.619 0.489 8 0 "[ . 1]" 1
639 1 47 LEU HA 1 64 SER HA 4.040 . 4.040 3.103 2.852 3.275 . 0 0 "[ . 1]" 1
640 1 47 LEU H 1 64 SER HA 4.870 . 4.870 4.575 4.444 4.727 . 0 0 "[ . 1]" 1
641 1 48 LYS HA 1 48 LYS HG3 3.840 . 3.840 2.744 2.352 3.570 . 0 0 "[ . 1]" 1
642 1 48 LYS H 1 48 LYS HB3 3.860 . 3.860 3.218 2.618 3.568 . 0 0 "[ . 1]" 1
643 1 48 LYS H 1 48 LYS HB2 3.800 . 3.800 2.369 2.242 2.569 . 0 0 "[ . 1]" 1
644 1 48 LYS HA 1 49 LEU H 2.980 . 2.980 2.182 2.162 2.222 . 0 0 "[ . 1]" 1
645 1 48 LYS HB3 1 49 LEU H 4.820 . 4.820 3.748 3.512 4.002 . 0 0 "[ . 1]" 1
646 1 48 LYS HG2 1 49 LEU H 4.240 . 4.240 3.866 3.238 4.279 0.039 6 0 "[ . 1]" 1
647 1 48 LYS HG3 1 49 LEU H 4.630 . 4.630 4.242 2.385 5.320 0.690 3 2 "[- + . 1]" 1
648 1 48 LYS HB2 1 63 SER H 4.790 . 4.790 3.656 3.283 4.201 . 0 0 "[ . 1]" 1
649 1 48 LYS HB2 1 63 SER QB . . 3.790 3.562 2.673 3.939 0.149 6 0 "[ . 1]" 1
650 1 48 LYS HB3 1 63 SER H 5.270 . 5.270 3.713 2.932 4.507 . 0 0 "[ . 1]" 1
651 1 48 LYS H 1 63 SER H 4.500 . 4.500 2.596 2.448 2.851 . 0 0 "[ . 1]" 1
652 1 48 LYS H 1 63 SER QB 4.770 . 4.770 3.792 3.266 4.119 . 0 0 "[ . 1]" 1
653 1 48 LYS H 1 64 SER QB 5.500 . 5.500 5.560 5.055 5.962 0.462 9 0 "[ . 1]" 1
654 1 48 LYS H 1 64 SER HA 4.270 . 4.270 4.254 3.773 4.358 0.088 9 0 "[ . 1]" 1
655 1 49 LEU H 1 49 LEU HB3 4.070 . 4.070 3.581 3.441 3.768 . 0 0 "[ . 1]" 1
656 1 49 LEU H 1 49 LEU HB2 3.900 . 3.900 2.411 2.273 2.656 . 0 0 "[ . 1]" 1
657 1 49 LEU H 1 49 LEU HG 4.320 . 4.320 4.356 4.293 4.419 0.099 7 0 "[ . 1]" 1
658 1 49 LEU HA 1 50 THR H 3.230 . 3.230 2.140 2.107 2.174 . 0 0 "[ . 1]" 1
659 1 49 LEU HA 1 50 THR HB 5.420 . 5.420 4.711 4.578 4.921 . 0 0 "[ . 1]" 1
660 1 49 LEU HB2 1 50 THR H 4.170 . 4.170 4.118 3.816 4.264 0.094 7 0 "[ . 1]" 1
661 1 49 LEU HB3 1 50 THR H 4.820 . 4.820 3.003 2.755 3.194 . 0 0 "[ . 1]" 1
662 1 49 LEU HG 1 50 THR H 5.500 . 5.500 3.871 3.349 4.831 . 0 0 "[ . 1]" 1
663 1 49 LEU H 1 50 THR H 4.630 . 4.630 4.468 4.401 4.512 . 0 0 "[ . 1]" 1
664 1 49 LEU H 1 50 THR HA 5.500 . 5.500 5.207 5.112 5.295 . 0 0 "[ . 1]" 1
665 1 49 LEU HA 1 62 GLU HA 4.540 . 4.540 2.982 2.781 3.175 . 0 0 "[ . 1]" 1
666 1 49 LEU HB2 1 62 GLU HA 5.500 . 5.500 5.504 5.388 5.569 0.069 4 0 "[ . 1]" 1
667 1 49 LEU HG 1 62 GLU HG3 5.500 . 5.500 3.006 1.973 4.861 . 0 0 "[ . 1]" 1
668 1 50 THR H 1 50 THR HB 4.180 . 4.180 2.880 2.770 3.051 . 0 0 "[ . 1]" 1
669 1 50 THR HA 1 51 ILE HB 4.750 . 4.750 4.851 4.815 4.886 0.136 2 0 "[ . 1]" 1
670 1 50 THR HA 1 51 ILE H 3.180 . 3.180 2.115 2.094 2.126 . 0 0 "[ . 1]" 1
671 1 50 THR HB 1 51 ILE H 5.350 . 5.350 4.085 3.931 4.302 . 0 0 "[ . 1]" 1
672 1 50 THR H 1 51 ILE H 4.940 . 4.940 4.186 4.051 4.251 . 0 0 "[ . 1]" 1
673 1 50 THR HB 1 60 VAL HA 4.020 . 4.020 4.008 3.817 4.079 0.059 10 0 "[ . 1]" 1
674 1 50 THR HB 1 61 LYS HB2 3.280 . 3.280 3.074 2.718 3.330 0.050 7 0 "[ . 1]" 1
675 1 50 THR HB 1 61 LYS HB3 3.540 . 3.540 2.814 2.295 3.377 . 0 0 "[ . 1]" 1
676 1 50 THR HB 1 61 LYS H 3.700 . 3.700 2.598 2.330 2.758 . 0 0 "[ . 1]" 1
677 1 50 THR HB 1 61 LYS HG3 5.430 . 5.430 5.128 4.635 5.644 0.214 3 0 "[ . 1]" 1
678 1 50 THR HB 1 61 LYS HA 5.050 . 5.050 4.866 4.608 5.061 0.011 4 0 "[ . 1]" 1
679 1 51 ILE H 1 51 ILE HG13 4.550 . 4.550 3.493 3.394 3.549 . 0 0 "[ . 1]" 1
680 1 51 ILE H 1 51 ILE HB 3.700 . 3.700 2.797 2.755 2.878 . 0 0 "[ . 1]" 1
681 1 51 ILE H 1 51 ILE HG12 3.540 . 3.540 2.018 1.920 2.064 . 0 0 "[ . 1]" 1
682 1 51 ILE HA 1 52 THR H 3.100 . 3.100 2.137 2.124 2.154 . 0 0 "[ . 1]" 1
683 1 51 ILE HB 1 52 THR H 4.830 . 4.830 3.987 3.918 4.070 . 0 0 "[ . 1]" 1
684 1 51 ILE HA 1 60 VAL H 5.500 . 5.500 5.350 5.218 5.444 . 0 0 "[ . 1]" 1
685 1 51 ILE HA 1 61 LYS H 4.350 . 4.350 4.405 4.314 4.443 0.093 10 0 "[ . 1]" 1
686 1 52 THR H 1 52 THR HB 3.720 . 3.720 3.727 3.640 3.772 0.052 5 0 "[ . 1]" 1
687 1 52 THR HA 1 53 GLN HB2 5.500 . 5.500 4.467 4.407 4.558 . 0 0 "[ . 1]" 1
688 1 52 THR HA 1 53 GLN HB3 4.840 . 4.840 4.609 4.567 4.638 . 0 0 "[ . 1]" 1
689 1 52 THR HA 1 53 GLN H 3.120 . 3.120 2.186 2.166 2.203 . 0 0 "[ . 1]" 1
690 1 52 THR HB 1 53 GLN H 4.100 . 4.100 3.497 3.365 3.614 . 0 0 "[ . 1]" 1
691 1 52 THR H 1 53 GLN H 4.420 . 4.420 4.119 4.045 4.191 . 0 0 "[ . 1]" 1
692 1 52 THR H 1 53 GLN HB2 4.640 . 4.640 4.516 4.422 4.615 . 0 0 "[ . 1]" 1
693 1 52 THR HB 1 59 THR H 4.630 . 4.630 4.609 4.452 4.672 0.042 1 0 "[ . 1]" 1
694 1 52 THR H 1 59 THR H 4.010 . 4.010 3.491 3.425 3.564 . 0 0 "[ . 1]" 1
695 1 52 THR H 1 60 VAL H 5.500 . 5.500 5.119 5.012 5.230 . 0 0 "[ . 1]" 1
696 1 52 THR H 1 60 VAL HA 4.450 . 4.450 3.464 3.318 3.600 . 0 0 "[ . 1]" 1
697 1 52 THR H 1 61 LYS H 5.500 . 5.500 5.179 4.902 5.409 . 0 0 "[ . 1]" 1
698 1 53 GLN HA 1 53 GLN HG2 3.960 . 3.960 2.619 2.552 2.716 . 0 0 "[ . 1]" 1
699 1 53 GLN H 1 53 GLN HB2 3.760 . 3.760 3.073 3.022 3.139 . 0 0 "[ . 1]" 1
700 1 53 GLN H 1 53 GLN HG3 5.080 . 5.080 4.914 4.859 4.966 . 0 0 "[ . 1]" 1
701 1 53 GLN H 1 53 GLN HB3 3.960 . 3.960 2.694 2.624 2.766 . 0 0 "[ . 1]" 1
702 1 53 GLN HA 1 54 GLU H 3.180 . 3.180 2.233 2.210 2.267 . 0 0 "[ . 1]" 1
703 1 53 GLN HB2 1 54 GLU H 4.570 . 4.570 3.951 3.887 3.989 . 0 0 "[ . 1]" 1
704 1 53 GLN HB3 1 54 GLU H 4.670 . 4.670 3.807 3.750 3.856 . 0 0 "[ . 1]" 1
705 1 53 GLN HE21 1 54 GLU H 5.300 . 5.300 5.257 5.148 5.312 0.012 6 0 "[ . 1]" 1
706 1 53 GLN HG2 1 54 GLU H 5.000 . 5.000 1.919 1.839 1.994 . 0 0 "[ . 1]" 1
707 1 53 GLN HG3 1 54 GLU H 3.950 . 3.950 3.440 3.218 3.616 . 0 0 "[ . 1]" 1
708 1 53 GLN H 1 54 GLU H 5.500 . 5.500 4.451 4.418 4.478 . 0 0 "[ . 1]" 1
709 1 53 GLN HE21 1 55 GLY H 5.200 . 5.200 5.122 5.007 5.209 0.009 8 0 "[ . 1]" 1
710 1 53 GLN HG2 1 55 GLY H 4.120 . 4.120 3.045 2.841 3.331 . 0 0 "[ . 1]" 1
711 1 53 GLN HG2 1 55 GLY HA3 5.500 . 5.500 4.695 4.594 4.795 . 0 0 "[ . 1]" 1
712 1 53 GLN HG3 1 55 GLY H 4.890 . 4.890 4.542 4.428 4.733 . 0 0 "[ . 1]" 1
713 1 53 GLN HE21 1 56 ASN HA 5.500 . 5.500 4.196 3.894 4.298 . 0 0 "[ . 1]" 1
714 1 53 GLN HE22 1 56 ASN HA 5.500 . 5.500 4.327 4.039 4.459 . 0 0 "[ . 1]" 1
715 1 53 GLN HG2 1 56 ASN H 4.760 . 4.760 4.941 4.912 4.965 0.205 5 0 "[ . 1]" 1
716 1 53 GLN HG3 1 56 ASN H 5.500 . 5.500 5.799 5.730 5.847 0.347 9 0 "[ . 1]" 1
717 1 53 GLN HA 1 57 LYS H 5.090 . 5.090 5.098 5.062 5.139 0.049 5 0 "[ . 1]" 1
718 1 53 GLN HA 1 57 LYS QG 5.500 . 5.500 4.903 4.558 5.282 . 0 0 "[ . 1]" 1
719 1 53 GLN HG2 1 57 LYS H 3.310 . 3.310 3.190 3.115 3.311 0.001 5 0 "[ . 1]" 1
720 1 53 GLN HG3 1 57 LYS H 5.500 . 5.500 3.897 3.788 4.014 . 0 0 "[ . 1]" 1
721 1 53 GLN HA 1 58 PHE H 5.500 . 5.500 5.036 4.937 5.114 . 0 0 "[ . 1]" 1
722 1 53 GLN HA 1 58 PHE HB3 5.500 . 5.500 5.002 4.869 5.088 . 0 0 "[ . 1]" 1
723 1 53 GLN HA 1 58 PHE HA 4.080 . 4.080 2.317 2.191 2.405 . 0 0 "[ . 1]" 1
724 1 53 GLN HB2 1 58 PHE HA 3.930 . 3.930 3.023 2.845 3.347 . 0 0 "[ . 1]" 1
725 1 53 GLN HG3 1 58 PHE HA 5.190 . 5.190 2.760 2.592 3.121 . 0 0 "[ . 1]" 1
726 1 53 GLN HA 1 59 THR H 4.280 . 4.280 3.020 2.843 3.235 . 0 0 "[ . 1]" 1
727 1 53 GLN HE21 1 75 LEU HG 5.500 . 5.500 4.722 4.594 4.839 . 0 0 "[ . 1]" 1
728 1 53 GLN HE22 1 75 LEU HG 5.430 . 5.430 5.509 5.476 5.553 0.123 5 0 "[ . 1]" 1
729 1 54 GLU HA 1 54 GLU HG3 3.550 . 3.550 2.924 2.316 3.643 0.093 5 0 "[ . 1]" 1
730 1 54 GLU HB3 1 54 GLU HG3 2.900 . 2.900 2.838 2.451 2.992 0.092 9 0 "[ . 1]" 1
731 1 54 GLU H 1 54 GLU HB2 3.380 . 3.380 2.858 2.659 3.385 0.005 3 0 "[ . 1]" 1
732 1 54 GLU HA 1 55 GLY H 3.100 . 3.100 2.343 2.317 2.368 . 0 0 "[ . 1]" 1
733 1 54 GLU HA 1 55 GLY HA3 4.710 . 4.710 4.372 4.357 4.386 . 0 0 "[ . 1]" 1
734 1 54 GLU HB2 1 55 GLY H 4.270 . 4.270 4.409 4.268 4.509 0.239 5 0 "[ . 1]" 1
735 1 54 GLU HB3 1 55 GLY H 5.040 . 5.040 4.215 4.161 4.375 . 0 0 "[ . 1]" 1
736 1 54 GLU HG2 1 55 GLY H 5.500 . 5.500 5.339 4.800 5.687 0.187 6 0 "[ . 1]" 1
737 1 54 GLU H 1 55 GLY H 4.540 . 4.540 3.314 3.239 3.439 . 0 0 "[ . 1]" 1
738 1 54 GLU HA 1 57 LYS H 5.500 . 5.500 5.317 5.253 5.361 . 0 0 "[ . 1]" 1
739 1 54 GLU H 1 57 LYS H 4.320 . 4.320 3.536 3.465 3.601 . 0 0 "[ . 1]" 1
740 1 54 GLU H 1 58 PHE HA 4.410 . 4.410 3.464 3.287 3.596 . 0 0 "[ . 1]" 1
741 1 55 GLY HA3 1 56 ASN H 3.110 . 3.110 2.068 2.061 2.078 . 0 0 "[ . 1]" 1
742 1 55 GLY HA3 1 56 ASN HA 4.650 . 4.650 4.363 4.356 4.374 . 0 0 "[ . 1]" 1
743 1 55 GLY HA3 1 56 ASN QB 5.500 . 5.500 4.016 3.992 4.054 . 0 0 "[ . 1]" 1
744 1 55 GLY H 1 56 ASN H 4.370 . 4.370 4.357 4.330 4.375 0.005 5 0 "[ . 1]" 1
745 1 55 GLY HA3 1 57 LYS H 4.050 . 4.050 3.353 3.298 3.387 . 0 0 "[ . 1]" 1
746 1 55 GLY H 1 57 LYS H 5.120 . 5.120 4.136 4.106 4.184 . 0 0 "[ . 1]" 1
747 1 56 ASN HA 1 56 ASN HD22 5.500 . 5.500 4.956 4.916 4.992 . 0 0 "[ . 1]" 1
748 1 56 ASN QB 1 56 ASN HD22 . . 3.780 3.253 3.236 3.267 . 0 0 "[ . 1]" 1
749 1 56 ASN H 1 56 ASN QB . . 3.660 2.424 2.359 2.530 . 0 0 "[ . 1]" 1
750 1 56 ASN QB 1 57 LYS H 4.570 . 4.570 3.925 3.893 3.953 . 0 0 "[ . 1]" 1
751 1 56 ASN QB 1 57 LYS QG 4.380 . 4.380 6.372 6.310 6.419 2.039 8 10 [*****-*+**] 1
752 1 56 ASN H 1 57 LYS HB2 4.770 . 4.770 4.442 4.361 4.578 . 0 0 "[ . 1]" 1
753 1 56 ASN H 1 57 LYS H 3.100 . 3.100 2.416 2.349 2.471 . 0 0 "[ . 1]" 1
754 1 56 ASN HA 1 75 LEU HG 3.470 . 3.470 3.565 3.530 3.595 0.125 8 0 "[ . 1]" 1
755 1 56 ASN QB 1 75 LEU H 4.160 . 4.160 3.461 3.376 3.549 . 0 0 "[ . 1]" 1
756 1 56 ASN QB 1 75 LEU HB3 5.170 . 5.170 4.002 3.813 4.286 . 0 0 "[ . 1]" 1
757 1 56 ASN QB 1 75 LEU HB2 . . 3.950 2.494 2.350 2.698 . 0 0 "[ . 1]" 1
758 1 56 ASN QB 1 75 LEU HG 4.040 . 4.040 3.873 3.778 3.962 . 0 0 "[ . 1]" 1
759 1 56 ASN HD22 1 75 LEU HG 5.500 . 5.500 5.480 5.354 5.535 0.035 3 0 "[ . 1]" 1
760 1 57 LYS HA 1 57 LYS QG 3.910 . 3.910 2.638 2.529 2.763 . 0 0 "[ . 1]" 1
761 1 57 LYS H 1 57 LYS QG 4.590 . 4.590 3.988 3.876 4.126 . 0 0 "[ . 1]" 1
762 1 57 LYS H 1 57 LYS HB2 3.550 . 3.550 3.325 3.239 3.410 . 0 0 "[ . 1]" 1
763 1 57 LYS HA 1 58 PHE HB2 4.860 . 4.860 4.131 3.974 4.206 . 0 0 "[ . 1]" 1
764 1 57 LYS HA 1 58 PHE H 3.120 . 3.120 2.129 2.113 2.167 . 0 0 "[ . 1]" 1
765 1 57 LYS HB2 1 58 PHE H 4.490 . 4.490 4.228 3.950 4.355 . 0 0 "[ . 1]" 1
766 1 57 LYS HB3 1 58 PHE H 4.520 . 4.520 4.434 4.296 4.530 0.010 2 0 "[ . 1]" 1
767 1 57 LYS QG 1 58 PHE H 4.380 . 4.380 3.070 2.739 3.290 . 0 0 "[ . 1]" 1
768 1 57 LYS QG 1 58 PHE HA 4.810 . 4.810 3.882 3.438 4.150 . 0 0 "[ . 1]" 1
769 1 57 LYS H 1 58 PHE H 4.540 . 4.540 4.108 3.957 4.317 . 0 0 "[ . 1]" 1
770 1 57 LYS H 1 58 PHE HB2 5.020 . 5.020 5.102 5.074 5.142 0.122 5 0 "[ . 1]" 1
771 1 57 LYS HA 1 74 GLU HA 3.330 . 3.330 2.366 2.251 2.475 . 0 0 "[ . 1]" 1
772 1 57 LYS HB2 1 74 GLU HA 3.670 . 3.670 3.725 3.706 3.741 0.071 9 0 "[ . 1]" 1
773 1 57 LYS HB3 1 74 GLU HA 4.990 . 4.990 5.014 4.974 5.066 0.076 6 0 "[ . 1]" 1
774 1 57 LYS H 1 74 GLU HA 5.410 . 5.410 4.726 4.656 4.791 . 0 0 "[ . 1]" 1
775 1 57 LYS HA 1 75 LEU H 4.140 . 4.140 3.760 3.662 3.821 . 0 0 "[ . 1]" 1
776 1 58 PHE H 1 58 PHE HB3 3.740 . 3.740 3.074 3.047 3.146 . 0 0 "[ . 1]" 1
777 1 58 PHE H 1 58 PHE HB2 4.070 . 4.070 2.358 2.241 2.523 . 0 0 "[ . 1]" 1
778 1 58 PHE HA 1 59 THR H 3.190 . 3.190 2.182 2.165 2.219 . 0 0 "[ . 1]" 1
779 1 58 PHE HB2 1 59 THR H 4.130 . 4.130 4.257 4.218 4.293 0.163 8 0 "[ . 1]" 1
780 1 58 PHE H 1 59 THR H 4.750 . 4.750 4.491 4.408 4.551 . 0 0 "[ . 1]" 1
781 1 58 PHE H 1 73 PHE H 4.250 . 4.250 3.142 2.723 3.527 . 0 0 "[ . 1]" 1
782 1 59 THR H 1 59 THR HB 3.620 . 3.620 2.830 2.730 2.946 . 0 0 "[ . 1]" 1
783 1 59 THR HB 1 60 VAL H 4.990 . 4.990 4.242 4.105 4.373 . 0 0 "[ . 1]" 1
784 1 59 THR H 1 60 VAL H 4.730 . 4.730 4.141 4.059 4.231 . 0 0 "[ . 1]" 1
785 1 60 VAL H 1 60 VAL HB 3.720 . 3.720 3.758 3.716 3.790 0.070 10 0 "[ . 1]" 1
786 1 60 VAL HA 1 61 LYS H 3.280 . 3.280 2.163 2.129 2.215 . 0 0 "[ . 1]" 1
787 1 60 VAL H 1 61 LYS H 4.940 . 4.940 4.381 4.276 4.464 . 0 0 "[ . 1]" 1
788 1 60 VAL HB 1 71 VAL H 5.290 . 5.290 5.321 5.192 5.387 0.097 10 0 "[ . 1]" 1
789 1 60 VAL H 1 71 VAL HB 4.770 . 4.770 3.862 3.547 4.199 . 0 0 "[ . 1]" 1
790 1 60 VAL H 1 72 VAL H 5.500 . 5.500 5.241 5.036 5.365 . 0 0 "[ . 1]" 1
791 1 60 VAL H 1 72 VAL HA 4.040 . 4.040 3.746 3.499 3.975 . 0 0 "[ . 1]" 1
792 1 60 VAL H 1 73 PHE H 5.440 . 5.440 5.186 4.789 5.451 0.011 9 0 "[ . 1]" 1
793 1 61 LYS H 1 61 LYS HG2 4.800 . 4.800 4.523 4.022 4.770 . 0 0 "[ . 1]" 1
794 1 61 LYS H 1 61 LYS HB2 3.630 . 3.630 2.490 2.174 2.682 . 0 0 "[ . 1]" 1
795 1 61 LYS H 1 61 LYS HB3 3.600 . 3.600 2.851 2.546 3.071 . 0 0 "[ . 1]" 1
796 1 61 LYS H 1 61 LYS HG3 4.620 . 4.620 4.503 4.301 4.743 0.123 2 0 "[ . 1]" 1
797 1 61 LYS HA 1 62 GLU H 3.500 . 3.500 2.146 2.130 2.168 . 0 0 "[ . 1]" 1
798 1 61 LYS HB3 1 62 GLU H 5.500 . 5.500 4.002 3.692 4.327 . 0 0 "[ . 1]" 1
799 1 61 LYS HA 1 70 GLU HG2 5.400 . 5.400 4.561 2.968 5.375 . 0 0 "[ . 1]" 1
800 1 61 LYS HA 1 70 GLU HA 3.380 . 3.380 2.375 2.093 2.519 . 0 0 "[ . 1]" 1
801 1 61 LYS HG2 1 70 GLU HA 5.500 . 5.500 3.976 3.034 5.157 . 0 0 "[ . 1]" 1
802 1 61 LYS HG3 1 70 GLU HG3 5.420 . 5.420 4.322 2.054 5.295 . 0 0 "[ . 1]" 1
803 1 61 LYS H 1 70 GLU HA 4.990 . 4.990 4.976 4.754 5.045 0.055 7 0 "[ . 1]" 1
804 1 61 LYS HA 1 71 VAL H 4.890 . 4.890 3.502 3.251 3.775 . 0 0 "[ . 1]" 1
805 1 61 LYS HB2 1 71 VAL H 5.450 . 5.450 5.491 5.441 5.594 0.144 4 0 "[ . 1]" 1
806 1 62 GLU HA 1 62 GLU HG2 4.150 . 4.150 3.144 2.344 3.555 . 0 0 "[ . 1]" 1
807 1 62 GLU HA 1 63 SER H 3.250 . 3.250 2.158 2.139 2.190 . 0 0 "[ . 1]" 1
808 1 62 GLU HA 1 63 SER QB 4.970 . 4.970 4.633 4.368 4.827 . 0 0 "[ . 1]" 1
809 1 62 GLU HA 1 63 SER HA 5.500 . 5.500 4.402 4.390 4.415 . 0 0 "[ . 1]" 1
810 1 62 GLU HG3 1 63 SER H 4.940 . 4.940 4.500 3.752 5.366 0.426 10 0 "[ . 1]" 1
811 1 62 GLU HB2 1 68 ASN HA 5.490 . 5.490 5.217 4.742 5.500 0.010 3 0 "[ . 1]" 1
812 1 62 GLU H 1 70 GLU HA 5.190 . 5.190 3.125 2.644 3.411 . 0 0 "[ . 1]" 1
813 1 63 SER H 1 63 SER QB . . 3.450 2.997 2.674 3.188 . 0 0 "[ . 1]" 1
814 1 63 SER HA 1 64 SER H 3.070 . 3.070 2.176 2.148 2.242 . 0 0 "[ . 1]" 1
815 1 63 SER QB 1 64 SER HA 4.900 . 4.900 4.216 4.108 4.397 . 0 0 "[ . 1]" 1
816 1 63 SER QB 1 64 SER H 4.080 . 4.080 3.115 2.906 3.314 . 0 0 "[ . 1]" 1
817 1 63 SER HA 1 67 ARG H 5.490 . 5.490 5.427 5.314 5.512 0.022 10 0 "[ . 1]" 1
818 1 63 SER HA 1 68 ASN HA 3.400 . 3.400 2.227 1.963 2.419 . 0 0 "[ . 1]" 1
819 1 63 SER QB 1 68 ASN HA . . 4.750 3.753 3.499 3.978 . 0 0 "[ . 1]" 1
820 1 64 SER HA 1 65 ALA H 3.270 . 3.270 2.595 2.507 2.739 . 0 0 "[ . 1]" 1
821 1 64 SER HA 1 65 ALA HA 4.840 . 4.840 4.315 4.296 4.340 . 0 0 "[ . 1]" 1
822 1 64 SER QB 1 65 ALA H 3.730 . 3.730 2.125 2.003 2.296 . 0 0 "[ . 1]" 1
823 1 64 SER HA 1 66 PHE H 4.890 . 4.890 4.499 4.405 4.828 . 0 0 "[ . 1]" 1
824 1 64 SER QB 1 66 PHE H 4.690 . 4.690 2.832 2.619 3.169 . 0 0 "[ . 1]" 1
825 1 64 SER H 1 66 PHE H 4.740 . 4.740 4.766 4.686 4.820 0.080 7 0 "[ . 1]" 1
826 1 64 SER HA 1 67 ARG H 4.960 . 4.960 4.645 4.551 4.831 . 0 0 "[ . 1]" 1
827 1 64 SER QB 1 67 ARG H 5.500 . 5.500 2.893 2.272 3.603 . 0 0 "[ . 1]" 1
828 1 64 SER H 1 67 ARG H 3.880 . 3.880 3.448 3.335 3.551 . 0 0 "[ . 1]" 1
829 1 64 SER H 1 68 ASN HA 4.160 . 4.160 2.847 2.658 3.112 . 0 0 "[ . 1]" 1
830 1 65 ALA H 1 66 PHE H 3.930 . 3.930 2.626 2.451 2.741 . 0 0 "[ . 1]" 1
831 1 65 ALA HA 1 67 ARG H 5.500 . 5.500 4.423 4.210 4.679 . 0 0 "[ . 1]" 1
832 1 66 PHE H 1 66 PHE HB2 4.160 . 4.160 3.688 3.633 3.737 . 0 0 "[ . 1]" 1
833 1 66 PHE H 1 66 PHE HB3 3.810 . 3.810 3.148 3.049 3.221 . 0 0 "[ . 1]" 1
834 1 66 PHE HB2 1 67 ARG H 4.270 . 4.270 4.152 3.841 4.296 0.026 3 0 "[ . 1]" 1
835 1 66 PHE HB2 1 67 ARG HG2 5.280 . 5.280 4.425 4.136 5.096 . 0 0 "[ . 1]" 1
836 1 66 PHE HB3 1 67 ARG HG2 5.500 . 5.500 5.457 5.179 5.896 0.396 7 0 "[ . 1]" 1
837 1 66 PHE HB3 1 67 ARG H 4.460 . 4.460 4.497 4.385 4.576 0.116 3 0 "[ . 1]" 1
838 1 66 PHE H 1 67 ARG H 3.330 . 3.330 2.275 2.219 2.380 . 0 0 "[ . 1]" 1
839 1 66 PHE H 1 67 ARG HG2 5.200 . 5.200 4.334 4.166 4.576 . 0 0 "[ . 1]" 1
840 1 67 ARG H 1 67 ARG HG2 4.180 . 4.180 3.311 2.793 3.525 . 0 0 "[ . 1]" 1
841 1 67 ARG H 1 67 ARG HG3 4.550 . 4.550 3.193 2.861 3.605 . 0 0 "[ . 1]" 1
842 1 67 ARG HA 1 68 ASN H 3.280 . 3.280 2.474 2.257 2.678 . 0 0 "[ . 1]" 1
843 1 67 ARG HA 1 68 ASN HA 4.710 . 4.710 4.569 4.466 4.705 . 0 0 "[ . 1]" 1
844 1 67 ARG HB2 1 68 ASN H 4.540 . 4.540 2.332 2.040 2.785 . 0 0 "[ . 1]" 1
845 1 67 ARG HB3 1 68 ASN H 4.610 . 4.610 3.751 3.561 4.066 . 0 0 "[ . 1]" 1
846 1 67 ARG HG2 1 68 ASN HA 5.500 . 5.500 5.292 5.027 5.539 0.039 9 0 "[ . 1]" 1
847 1 67 ARG H 1 68 ASN H 4.940 . 4.940 4.368 4.263 4.438 . 0 0 "[ . 1]" 1
848 1 68 ASN HA 1 69 ILE H 3.100 . 3.100 2.189 2.166 2.211 . 0 0 "[ . 1]" 1
849 1 68 ASN HA 1 69 ILE HA 5.130 . 5.130 4.433 4.429 4.441 . 0 0 "[ . 1]" 1
850 1 68 ASN H 1 69 ILE H 5.500 . 5.500 4.127 4.025 4.233 . 0 0 "[ . 1]" 1
851 1 69 ILE HA 1 70 GLU H 3.470 . 3.470 2.406 2.274 2.508 . 0 0 "[ . 1]" 1
852 1 69 ILE HB 1 70 GLU H 3.480 . 3.480 2.336 2.107 2.670 . 0 0 "[ . 1]" 1
853 1 70 GLU HA 1 70 GLU HG3 3.800 . 3.800 3.253 2.147 4.256 0.456 4 0 "[ . 1]" 1
854 1 70 GLU H 1 70 GLU HG3 5.030 . 5.030 4.335 3.785 4.867 . 0 0 "[ . 1]" 1
855 1 70 GLU HA 1 71 VAL HA 5.200 . 5.200 4.405 4.374 4.414 . 0 0 "[ . 1]" 1
856 1 70 GLU HA 1 71 VAL H 3.450 . 3.450 2.204 2.189 2.229 . 0 0 "[ . 1]" 1
857 1 70 GLU HG3 1 71 VAL H 4.790 . 4.790 3.885 2.264 5.109 0.319 4 0 "[ . 1]" 1
858 1 70 GLU HG2 1 71 VAL H 4.910 . 4.910 3.547 2.422 4.393 . 0 0 "[ . 1]" 1
859 1 70 GLU HG2 1 71 VAL HA 5.500 . 5.500 4.505 3.782 6.199 0.699 7 1 "[ . + 1]" 1
860 1 71 VAL H 1 71 VAL HB 4.170 . 4.170 2.620 2.553 2.725 . 0 0 "[ . 1]" 1
861 1 71 VAL HA 1 72 VAL H 3.190 . 3.190 2.188 2.141 2.231 . 0 0 "[ . 1]" 1
862 1 71 VAL HB 1 72 VAL H 4.750 . 4.750 4.077 3.950 4.241 . 0 0 "[ . 1]" 1
863 1 71 VAL H 1 72 VAL H 5.350 . 5.350 4.439 4.335 4.485 . 0 0 "[ . 1]" 1
864 1 72 VAL H 1 72 VAL HB 3.490 . 3.490 3.208 3.098 3.282 . 0 0 "[ . 1]" 1
865 1 72 VAL HA 1 73 PHE HB3 5.500 . 5.500 4.118 3.976 4.383 . 0 0 "[ . 1]" 1
866 1 72 VAL HA 1 73 PHE H 3.080 . 3.080 2.191 2.127 2.280 . 0 0 "[ . 1]" 1
867 1 72 VAL HB 1 73 PHE H 4.580 . 4.580 4.131 3.952 4.309 . 0 0 "[ . 1]" 1
868 1 72 VAL H 1 73 PHE H 4.820 . 4.820 4.331 4.133 4.459 . 0 0 "[ . 1]" 1
869 1 73 PHE HA 1 74 GLU HB3 5.500 . 5.500 5.529 5.431 5.595 0.095 7 0 "[ . 1]" 1
870 1 73 PHE HA 1 74 GLU H 3.220 . 3.220 2.495 2.380 2.642 . 0 0 "[ . 1]" 1
871 1 73 PHE HB2 1 74 GLU H 4.100 . 4.100 2.661 2.227 2.878 . 0 0 "[ . 1]" 1
872 1 73 PHE HB3 1 74 GLU H 4.180 . 4.180 3.888 3.689 4.055 . 0 0 "[ . 1]" 1
873 1 73 PHE H 1 74 GLU H 4.810 . 4.810 4.426 4.384 4.470 . 0 0 "[ . 1]" 1
874 1 74 GLU H 1 74 GLU HB2 3.830 . 3.830 2.642 2.507 2.707 . 0 0 "[ . 1]" 1
875 1 74 GLU H 1 74 GLU HB3 3.830 . 3.830 3.573 3.441 3.645 . 0 0 "[ . 1]" 1
876 1 74 GLU HA 1 75 LEU HG 4.690 . 4.690 4.359 4.144 4.567 . 0 0 "[ . 1]" 1
877 1 74 GLU HA 1 75 LEU H 3.180 . 3.180 2.182 2.164 2.200 . 0 0 "[ . 1]" 1
878 1 74 GLU HB2 1 75 LEU H 4.540 . 4.540 4.438 4.388 4.510 . 0 0 "[ . 1]" 1
879 1 74 GLU HB3 1 75 LEU H 4.840 . 4.840 3.436 3.329 3.591 . 0 0 "[ . 1]" 1
880 1 74 GLU HA 1 76 GLY H 5.500 . 5.500 5.561 5.532 5.579 0.079 10 0 "[ . 1]" 1
881 1 74 GLU H 1 76 GLY H 5.240 . 5.240 5.148 5.055 5.235 . 0 0 "[ . 1]" 1
882 1 74 GLU HB2 1 77 VAL HB 3.560 . 3.560 2.268 2.106 2.409 . 0 0 "[ . 1]" 1
883 1 74 GLU HB3 1 77 VAL H 5.310 . 5.310 3.756 3.166 4.037 . 0 0 "[ . 1]" 1
884 1 74 GLU HB3 1 77 VAL HB 3.610 . 3.610 2.700 2.310 3.005 . 0 0 "[ . 1]" 1
885 1 74 GLU H 1 77 VAL HB 4.300 . 4.300 3.348 3.187 3.537 . 0 0 "[ . 1]" 1
886 1 75 LEU HA 1 75 LEU QD 3.430 . 3.430 1.904 1.813 1.996 . 0 0 "[ . 1]" 1
887 1 75 LEU H 1 75 LEU HB2 3.850 . 3.850 2.377 2.300 2.529 . 0 0 "[ . 1]" 1
888 1 75 LEU H 1 75 LEU QD 4.350 . 4.350 3.225 3.127 3.310 . 0 0 "[ . 1]" 1
889 1 75 LEU H 1 75 LEU HG 3.400 . 3.400 2.600 2.340 2.781 . 0 0 "[ . 1]" 1
890 1 75 LEU HA 1 76 GLY H 3.250 . 3.250 2.129 2.115 2.136 . 0 0 "[ . 1]" 1
891 1 75 LEU HA 1 76 GLY HA3 4.340 . 4.340 4.363 4.355 4.376 0.036 10 0 "[ . 1]" 1
892 1 75 LEU HB2 1 76 GLY H 4.760 . 4.760 4.464 4.402 4.502 . 0 0 "[ . 1]" 1
893 1 75 LEU HB3 1 76 GLY H 4.570 . 4.570 3.686 3.660 3.711 . 0 0 "[ . 1]" 1
894 1 75 LEU HG 1 76 GLY H 5.040 . 5.040 5.102 5.070 5.154 0.114 7 0 "[ . 1]" 1
895 1 75 LEU H 1 76 GLY H 5.500 . 5.500 4.373 4.356 4.383 . 0 0 "[ . 1]" 1
896 1 75 LEU QD 1 76 GLY H 4.100 . 4.100 3.385 3.293 3.585 . 0 0 "[ . 1]" 1
897 1 75 LEU QD 1 77 VAL H 5.500 . 5.500 4.990 4.886 5.148 . 0 0 "[ . 1]" 1
898 1 75 LEU QD 1 93 TRP H 5.420 . 5.420 4.330 4.022 4.562 . 0 0 "[ . 1]" 1
899 1 75 LEU HB2 1 94 SER HA 4.920 . 4.920 5.030 4.970 5.059 0.139 6 0 "[ . 1]" 1
900 1 75 LEU QD 1 94 SER H 5.500 . 5.500 3.691 3.571 3.983 . 0 0 "[ . 1]" 1
901 1 75 LEU QD 1 94 SER QB 5.500 . 5.500 3.801 3.441 4.108 . 0 0 "[ . 1]" 1
902 1 75 LEU QD 1 94 SER HA 3.950 . 3.950 2.140 1.862 2.604 . 0 0 "[ . 1]" 1
903 1 75 LEU QD 1 95 LEU H 4.270 . 4.270 2.332 1.859 3.118 . 0 0 "[ . 1]" 1
904 1 75 LEU QD 1 95 LEU HB3 5.120 . 5.120 2.798 2.454 3.077 . 0 0 "[ . 1]" 1
905 1 75 LEU QD 1 95 LEU HB2 4.330 . 4.330 3.236 3.057 3.459 . 0 0 "[ . 1]" 1
906 1 76 GLY H 1 77 VAL H 3.890 . 3.890 2.440 2.351 2.670 . 0 0 "[ . 1]" 1
907 1 76 GLY H 1 92 THR HB 4.190 . 4.190 3.982 3.726 4.145 . 0 0 "[ . 1]" 1
908 1 76 GLY H 1 93 TRP H 4.740 . 4.740 4.265 3.976 4.455 . 0 0 "[ . 1]" 1
909 1 76 GLY H 1 94 SER HA 4.250 . 4.250 3.335 3.210 3.529 . 0 0 "[ . 1]" 1
910 1 76 GLY H 1 94 SER QB 5.030 . 5.030 3.442 2.800 4.049 . 0 0 "[ . 1]" 1
911 1 77 VAL H 1 77 VAL HB 3.560 . 3.560 2.788 2.749 2.858 . 0 0 "[ . 1]" 1
912 1 77 VAL HA 1 78 THR H 2.690 . 2.690 2.192 2.157 2.217 . 0 0 "[ . 1]" 1
913 1 77 VAL HB 1 78 THR H 5.310 . 5.310 4.328 4.119 4.404 . 0 0 "[ . 1]" 1
914 1 77 VAL H 1 78 THR H 4.420 . 4.420 4.074 3.940 4.396 . 0 0 "[ . 1]" 1
915 1 78 THR H 1 78 THR HB 3.100 . 3.100 2.596 2.422 2.745 . 0 0 "[ . 1]" 1
916 1 78 THR HA 1 79 PHE H 3.090 . 3.090 2.171 2.130 2.211 . 0 0 "[ . 1]" 1
917 1 78 THR HA 1 79 PHE HA 4.640 . 4.640 4.407 4.381 4.432 . 0 0 "[ . 1]" 1
918 1 78 THR HB 1 79 PHE H 4.770 . 4.770 4.020 3.782 4.261 . 0 0 "[ . 1]" 1
919 1 78 THR H 1 79 PHE H 4.640 . 4.640 4.583 4.536 4.627 . 0 0 "[ . 1]" 1
920 1 78 THR HA 1 91 GLY H 5.040 . 5.040 4.753 4.219 4.968 . 0 0 "[ . 1]" 1
921 1 78 THR H 1 92 THR HB 5.500 . 5.500 5.287 5.134 5.506 0.006 10 0 "[ . 1]" 1
922 1 79 PHE HA 1 80 ASN H 3.280 . 3.280 2.516 2.407 2.635 . 0 0 "[ . 1]" 1
923 1 79 PHE HA 1 80 ASN HA 5.500 . 5.500 4.371 4.327 4.409 . 0 0 "[ . 1]" 1
924 1 79 PHE HB2 1 80 ASN H 3.810 . 3.810 2.407 2.029 2.652 . 0 0 "[ . 1]" 1
925 1 79 PHE HB3 1 80 ASN H 3.950 . 3.950 3.814 3.524 3.980 0.030 1 0 "[ . 1]" 1
926 1 79 PHE H 1 80 ASN H 5.250 . 5.250 4.413 4.389 4.435 . 0 0 "[ . 1]" 1
927 1 79 PHE H 1 90 ARG HA 5.500 . 5.500 4.580 4.367 4.887 . 0 0 "[ . 1]" 1
928 1 79 PHE H 1 91 GLY H 3.940 . 3.940 3.454 3.131 3.626 . 0 0 "[ . 1]" 1
929 1 79 PHE H 1 91 GLY HA2 5.300 . 5.300 4.677 4.488 4.888 . 0 0 "[ . 1]" 1
930 1 79 PHE H 1 92 THR HA 5.500 . 5.500 4.873 4.719 4.972 . 0 0 "[ . 1]" 1
931 1 80 ASN HA 1 81 TYR H 3.270 . 3.270 2.149 2.134 2.206 . 0 0 "[ . 1]" 1
932 1 80 ASN HA 1 81 TYR HB3 5.360 . 5.360 4.558 4.365 4.704 . 0 0 "[ . 1]" 1
933 1 80 ASN HD22 1 81 TYR HA 4.470 . 4.470 4.482 4.357 4.553 0.083 3 0 "[ . 1]" 1
934 1 80 ASN H 1 81 TYR H 5.500 . 5.500 4.402 4.297 4.523 . 0 0 "[ . 1]" 1
935 1 80 ASN HA 1 90 ARG HA 3.620 . 3.620 2.729 2.594 2.895 . 0 0 "[ . 1]" 1
936 1 80 ASN HA 1 90 ARG HG3 5.500 . 5.500 3.569 2.736 4.813 . 0 0 "[ . 1]" 1
937 1 80 ASN HA 1 90 ARG HG2 4.600 . 4.600 3.775 2.842 4.462 . 0 0 "[ . 1]" 1
938 1 80 ASN H 1 90 ARG HG2 5.500 . 5.500 5.105 4.431 5.520 0.020 3 0 "[ . 1]" 1
939 1 80 ASN HA 1 91 GLY H 4.950 . 4.950 3.798 3.648 4.047 . 0 0 "[ . 1]" 1
940 1 80 ASN H 1 91 GLY H 5.500 . 5.500 5.507 5.432 5.597 0.097 7 0 "[ . 1]" 1
941 1 81 TYR HA 1 82 ASN H 3.420 . 3.420 2.228 2.195 2.299 . 0 0 "[ . 1]" 1
942 1 81 TYR HB2 1 82 ASN H 5.500 . 5.500 4.084 3.982 4.183 . 0 0 "[ . 1]" 1
943 1 81 TYR HB2 1 89 LEU QB 5.400 . 5.400 4.995 4.599 5.217 . 0 0 "[ . 1]" 1
944 1 81 TYR HB3 1 89 LEU H 3.920 . 3.920 3.653 3.422 3.859 . 0 0 "[ . 1]" 1
945 1 81 TYR HB3 1 89 LEU QB 5.500 . 5.500 3.476 3.209 3.723 . 0 0 "[ . 1]" 1
946 1 81 TYR H 1 89 LEU H 5.470 . 5.470 3.129 3.023 3.235 . 0 0 "[ . 1]" 1
947 1 81 TYR H 1 89 LEU QB 5.500 . 5.500 3.945 3.846 4.057 . 0 0 "[ . 1]" 1
948 1 81 TYR HB3 1 90 ARG HA 5.150 . 5.150 5.169 4.774 5.339 0.189 10 0 "[ . 1]" 1
949 1 81 TYR H 1 90 ARG HA 5.500 . 5.500 3.563 3.493 3.691 . 0 0 "[ . 1]" 1
950 1 82 ASN HA 1 82 ASN HD22 5.270 . 5.270 3.546 3.277 3.903 . 0 0 "[ . 1]" 1
951 1 82 ASN H 1 82 ASN HD22 5.500 . 5.500 5.443 5.157 5.593 0.093 7 0 "[ . 1]" 1
952 1 82 ASN H 1 82 ASN HB3 4.120 . 4.120 3.278 2.933 3.614 . 0 0 "[ . 1]" 1
953 1 82 ASN H 1 82 ASN HB2 4.160 . 4.160 2.423 2.254 2.607 . 0 0 "[ . 1]" 1
954 1 82 ASN HA 1 83 LEU HB2 5.500 . 5.500 4.497 4.251 4.764 . 0 0 "[ . 1]" 1
955 1 82 ASN HA 1 83 LEU HG 5.210 . 5.210 3.921 3.400 4.443 . 0 0 "[ . 1]" 1
956 1 82 ASN HA 1 83 LEU H 3.440 . 3.440 2.261 2.191 2.428 . 0 0 "[ . 1]" 1
957 1 82 ASN HB2 1 83 LEU H 4.660 . 4.660 4.144 3.974 4.299 . 0 0 "[ . 1]" 1
958 1 82 ASN HB3 1 83 LEU H 4.640 . 4.640 3.139 2.693 3.621 . 0 0 "[ . 1]" 1
959 1 82 ASN H 1 83 LEU H 5.420 . 5.420 4.529 4.430 4.571 . 0 0 "[ . 1]" 1
960 1 82 ASN HB3 1 86 GLY H 5.500 . 5.500 4.924 4.348 5.589 0.089 6 0 "[ . 1]" 1
961 1 82 ASN HA 1 87 THR H 5.500 . 5.500 5.221 4.518 5.527 0.027 4 0 "[ . 1]" 1
962 1 82 ASN HA 1 88 GLU H 5.430 . 5.430 4.669 4.346 5.013 . 0 0 "[ . 1]" 1
963 1 82 ASN HA 1 88 GLU HA 3.780 . 3.780 2.312 1.999 2.613 . 0 0 "[ . 1]" 1
964 1 82 ASN HB2 1 88 GLU HA 4.900 . 4.900 4.769 4.460 4.942 0.042 8 0 "[ . 1]" 1
965 1 82 ASN HB3 1 88 GLU HA 5.410 . 5.410 4.927 4.373 5.484 0.074 3 0 "[ . 1]" 1
966 1 82 ASN HD21 1 88 GLU HB3 5.500 . 5.500 2.658 2.074 3.222 . 0 0 "[ . 1]" 1
967 1 82 ASN HD22 1 88 GLU HB3 5.500 . 5.500 2.602 2.042 4.220 . 0 0 "[ . 1]" 1
968 1 82 ASN HD22 1 88 GLU HA 5.500 . 5.500 3.874 2.964 4.581 . 0 0 "[ . 1]" 1
969 1 82 ASN HD22 1 88 GLU HB2 5.500 . 5.500 4.156 3.763 4.842 . 0 0 "[ . 1]" 1
970 1 82 ASN HA 1 89 LEU QB 5.500 . 5.500 5.734 5.486 6.043 0.543 9 1 "[ . +1]" 1
971 1 82 ASN HA 1 89 LEU H 4.300 . 4.300 3.616 3.458 3.803 . 0 0 "[ . 1]" 1
972 1 83 LEU H 1 83 LEU HB2 4.080 . 4.080 2.411 2.205 2.607 . 0 0 "[ . 1]" 1
973 1 83 LEU H 1 83 LEU HG 3.820 . 3.820 2.878 2.438 3.538 . 0 0 "[ . 1]" 1
974 1 83 LEU HA 1 84 ALA H 3.490 . 3.490 2.608 2.500 2.793 . 0 0 "[ . 1]" 1
975 1 83 LEU HA 1 84 ALA HA 5.500 . 5.500 4.327 4.297 4.385 . 0 0 "[ . 1]" 1
976 1 83 LEU HB3 1 84 ALA H 4.080 . 4.080 2.080 1.867 2.220 . 0 0 "[ . 1]" 1
977 1 83 LEU HA 1 85 ASP H 4.700 . 4.700 4.317 4.165 4.465 . 0 0 "[ . 1]" 1
978 1 83 LEU HB3 1 85 ASP H 4.190 . 4.190 2.748 2.380 3.201 . 0 0 "[ . 1]" 1
979 1 83 LEU HB3 1 85 ASP HB2 4.730 . 4.730 4.333 3.919 5.638 0.908 8 1 "[ . + 1]" 1
980 1 83 LEU HB2 1 85 ASP H 4.600 . 4.600 2.983 2.464 3.412 . 0 0 "[ . 1]" 1
981 1 83 LEU HB3 1 86 GLY H 5.270 . 5.270 3.850 3.432 4.606 . 0 0 "[ . 1]" 1
982 1 83 LEU HB2 1 86 GLY H 4.900 . 4.900 3.036 2.743 3.366 . 0 0 "[ . 1]" 1
983 1 83 LEU H 1 86 GLY H 4.850 . 4.850 3.439 3.308 3.699 . 0 0 "[ . 1]" 1
984 1 83 LEU HB3 1 87 THR H 4.280 . 4.280 4.164 3.312 5.176 0.896 2 1 "[ + . 1]" 1
985 1 83 LEU HB3 1 87 THR HB 4.440 . 4.440 3.947 3.522 4.566 0.126 2 0 "[ . 1]" 1
986 1 83 LEU HB2 1 87 THR H 3.930 . 3.930 2.735 2.113 3.458 . 0 0 "[ . 1]" 1
987 1 83 LEU HB2 1 87 THR HB 4.260 . 4.260 2.645 2.158 3.171 . 0 0 "[ . 1]" 1
988 1 83 LEU HB2 1 87 THR HA 4.490 . 4.490 4.675 4.280 5.346 0.856 2 1 "[ + . 1]" 1
989 1 83 LEU HG 1 87 THR HB 4.450 . 4.450 3.495 2.341 4.052 . 0 0 "[ . 1]" 1
990 1 83 LEU H 1 87 THR H 4.470 . 4.470 3.491 2.822 3.951 . 0 0 "[ . 1]" 1
991 1 83 LEU H 1 87 THR HB 5.140 . 5.140 3.894 3.530 4.304 . 0 0 "[ . 1]" 1
992 1 83 LEU H 1 88 GLU HA 4.920 . 4.920 3.626 3.140 3.916 . 0 0 "[ . 1]" 1
993 1 84 ALA H 1 85 ASP HB2 5.500 . 5.500 5.017 4.500 5.620 0.120 8 0 "[ . 1]" 1
994 1 84 ALA H 1 85 ASP H 4.080 . 4.080 2.634 2.440 2.758 . 0 0 "[ . 1]" 1
995 1 84 ALA HA 1 86 GLY H 4.440 . 4.440 4.171 3.890 4.308 . 0 0 "[ . 1]" 1
996 1 85 ASP H 1 85 ASP HB2 4.120 . 4.120 2.638 2.388 3.478 . 0 0 "[ . 1]" 1
997 1 85 ASP H 1 85 ASP HB3 3.810 . 3.810 3.647 3.484 3.749 . 0 0 "[ . 1]" 1
998 1 85 ASP HB2 1 86 GLY H 5.160 . 5.160 3.366 3.057 4.023 . 0 0 "[ . 1]" 1
999 1 85 ASP H 1 86 GLY H 3.380 . 3.380 2.271 2.121 2.427 . 0 0 "[ . 1]" 1
1000 1 85 ASP HB2 1 87 THR H 5.180 . 5.180 3.256 3.019 3.632 . 0 0 "[ . 1]" 1
1001 1 85 ASP H 1 87 THR H 4.180 . 4.180 3.590 3.314 3.915 . 0 0 "[ . 1]" 1
1002 1 85 ASP H 1 87 THR HB 5.500 . 5.500 4.872 4.568 5.253 . 0 0 "[ . 1]" 1
1003 1 86 GLY H 1 87 THR H 3.480 . 3.480 2.367 2.017 2.656 . 0 0 "[ . 1]" 1
1004 1 86 GLY H 1 87 THR HB 5.500 . 5.500 4.515 4.262 4.853 . 0 0 "[ . 1]" 1
1005 1 87 THR H 1 87 THR HB 3.580 . 3.580 2.634 2.503 2.865 . 0 0 "[ . 1]" 1
1006 1 87 THR HB 1 88 GLU H 4.970 . 4.970 4.024 3.653 4.307 . 0 0 "[ . 1]" 1
1007 1 87 THR H 1 88 GLU H 4.700 . 4.700 4.567 4.454 4.653 . 0 0 "[ . 1]" 1
1008 1 88 GLU H 1 88 GLU HB2 3.480 . 3.480 3.560 2.782 3.763 0.283 8 0 "[ . 1]" 1
1009 1 88 GLU H 1 88 GLU QG 4.700 . 4.700 2.097 1.783 2.461 . 0 0 "[ . 1]" 1
1010 1 88 GLU HA 1 89 LEU H 3.420 . 3.420 2.153 2.121 2.218 . 0 0 "[ . 1]" 1
1011 1 88 GLU HA 1 89 LEU HG 5.500 . 5.500 5.481 5.354 5.558 0.058 3 0 "[ . 1]" 1
1012 1 88 GLU HA 1 89 LEU HA 5.420 . 5.420 4.397 4.387 4.409 . 0 0 "[ . 1]" 1
1013 1 88 GLU HB3 1 89 LEU H 4.820 . 4.820 3.915 3.300 4.202 . 0 0 "[ . 1]" 1
1014 1 88 GLU HB3 1 89 LEU HA 5.500 . 5.500 5.655 4.859 5.816 0.316 2 0 "[ . 1]" 1
1015 1 88 GLU HB2 1 89 LEU H 4.940 . 4.940 3.355 2.949 3.990 . 0 0 "[ . 1]" 1
1016 1 88 GLU QG 1 89 LEU H 4.510 . 4.510 4.400 4.106 4.601 0.091 6 0 "[ . 1]" 1
1017 1 88 GLU QG 1 89 LEU HA 5.500 . 5.500 4.720 4.288 5.842 0.342 7 0 "[ . 1]" 1
1018 1 88 GLU H 1 89 LEU H 4.880 . 4.880 4.398 4.250 4.525 . 0 0 "[ . 1]" 1
1019 1 88 GLU HB2 1 107 THR HB 4.940 . 4.940 5.011 4.036 5.734 0.794 9 3 "[ *. -+1]" 1
1020 1 88 GLU QG 1 107 THR H 5.500 . 5.500 5.187 4.528 6.373 0.873 7 1 "[ . + 1]" 1
1021 1 88 GLU QG 1 107 THR HB 4.660 . 4.660 3.841 3.044 5.379 0.719 7 1 "[ . + 1]" 1
1022 1 88 GLU H 1 107 THR HB 5.500 . 5.500 4.568 4.212 5.024 . 0 0 "[ . 1]" 1
1023 1 89 LEU H 1 89 LEU HG 4.340 . 4.340 4.126 4.017 4.180 . 0 0 "[ . 1]" 1
1024 1 89 LEU HA 1 90 ARG H 3.260 . 3.260 2.322 2.263 2.489 . 0 0 "[ . 1]" 1
1025 1 89 LEU QB 1 90 ARG H . . 4.210 2.619 2.304 2.735 . 0 0 "[ . 1]" 1
1026 1 89 LEU HG 1 90 ARG H 5.500 . 5.500 4.958 4.617 5.087 . 0 0 "[ . 1]" 1
1027 1 89 LEU H 1 90 ARG H 5.500 . 5.500 4.493 4.458 4.511 . 0 0 "[ . 1]" 1
1028 1 89 LEU QB 1 104 PHE QB . . 4.420 2.690 2.469 2.821 . 0 0 "[ . 1]" 1
1029 1 89 LEU HA 1 105 LYS H 4.570 . 4.570 4.531 4.266 4.679 0.109 2 0 "[ . 1]" 1
1030 1 89 LEU HA 1 106 ARG QG 5.160 . 5.160 5.297 5.165 5.465 0.305 5 0 "[ . 1]" 1
1031 1 89 LEU HA 1 106 ARG H 5.500 . 5.500 5.501 5.465 5.553 0.053 6 0 "[ . 1]" 1
1032 1 89 LEU HA 1 106 ARG HA 3.610 . 3.610 3.544 3.399 3.645 0.035 9 0 "[ . 1]" 1
1033 1 89 LEU HA 1 107 THR H 4.130 . 4.130 3.656 3.328 4.059 . 0 0 "[ . 1]" 1
1034 1 90 ARG HA 1 90 ARG HD2 5.500 . 5.500 4.389 3.772 4.634 . 0 0 "[ . 1]" 1
1035 1 90 ARG H 1 90 ARG HG3 5.490 . 5.490 4.218 3.752 4.733 . 0 0 "[ . 1]" 1
1036 1 90 ARG H 1 90 ARG HG2 5.300 . 5.300 4.563 4.218 4.813 . 0 0 "[ . 1]" 1
1037 1 90 ARG HA 1 91 GLY H 3.170 . 3.170 2.154 2.121 2.175 . 0 0 "[ . 1]" 1
1038 1 90 ARG HG2 1 91 GLY H 4.460 . 4.460 3.734 3.116 4.361 . 0 0 "[ . 1]" 1
1039 1 90 ARG HG2 1 91 GLY HA2 5.500 . 5.500 5.135 4.445 5.585 0.085 3 0 "[ . 1]" 1
1040 1 90 ARG HG3 1 91 GLY H 4.880 . 4.880 4.505 3.674 5.101 0.221 4 0 "[ . 1]" 1
1041 1 90 ARG H 1 91 GLY HA2 5.230 . 5.230 5.247 5.092 5.292 0.062 10 0 "[ . 1]" 1
1042 1 90 ARG H 1 104 PHE QB 5.330 . 5.330 4.633 4.349 4.964 . 0 0 "[ . 1]" 1
1043 1 90 ARG H 1 105 LYS H 3.700 . 3.700 3.059 2.845 3.294 . 0 0 "[ . 1]" 1
1044 1 90 ARG H 1 105 LYS QG 5.120 . 5.120 5.135 4.345 5.489 0.369 9 0 "[ . 1]" 1
1045 1 90 ARG H 1 106 ARG HA 5.500 . 5.500 4.815 4.641 4.901 . 0 0 "[ . 1]" 1
1046 1 91 GLY HA2 1 92 THR H 3.350 . 3.350 2.551 2.510 2.644 . 0 0 "[ . 1]" 1
1047 1 91 GLY H 1 92 THR H 5.500 . 5.500 4.390 4.367 4.400 . 0 0 "[ . 1]" 1
1048 1 91 GLY HA2 1 103 LYS H 5.500 . 5.500 5.051 4.785 5.291 . 0 0 "[ . 1]" 1
1049 1 91 GLY HA2 1 104 PHE H 5.500 . 5.500 5.352 5.154 5.531 0.031 7 0 "[ . 1]" 1
1050 1 91 GLY HA2 1 104 PHE QB 5.500 . 5.500 4.737 4.582 4.928 . 0 0 "[ . 1]" 1
1051 1 91 GLY HA2 1 104 PHE HA 3.690 . 3.690 3.055 2.895 3.232 . 0 0 "[ . 1]" 1
1052 1 91 GLY HA2 1 105 LYS H 4.220 . 4.220 4.305 4.262 4.353 0.133 3 0 "[ . 1]" 1
1053 1 92 THR H 1 92 THR HB 4.070 . 4.070 3.760 3.694 3.870 . 0 0 "[ . 1]" 1
1054 1 92 THR HA 1 93 TRP H 3.290 . 3.290 2.746 2.701 2.805 . 0 0 "[ . 1]" 1
1055 1 92 THR HB 1 93 TRP H 3.420 . 3.420 1.985 1.852 2.108 . 0 0 "[ . 1]" 1
1056 1 92 THR HB 1 93 TRP HA 4.950 . 4.950 4.114 4.082 4.158 . 0 0 "[ . 1]" 1
1057 1 92 THR H 1 93 TRP H 4.810 . 4.810 4.359 4.346 4.385 . 0 0 "[ . 1]" 1
1058 1 92 THR HB 1 103 LYS H 5.500 . 5.500 5.338 5.244 5.420 . 0 0 "[ . 1]" 1
1059 1 92 THR H 1 103 LYS HA 5.470 . 5.470 4.861 4.773 4.972 . 0 0 "[ . 1]" 1
1060 1 92 THR H 1 103 LYS H 3.840 . 3.840 2.996 2.813 3.126 . 0 0 "[ . 1]" 1
1061 1 92 THR H 1 103 LYS HB2 4.450 . 4.450 4.314 4.167 4.471 0.021 3 0 "[ . 1]" 1
1062 1 92 THR H 1 103 LYS HB3 5.360 . 5.360 4.397 4.213 4.610 . 0 0 "[ . 1]" 1
1063 1 92 THR H 1 104 PHE HA 3.840 . 3.840 3.872 3.751 3.919 0.079 6 0 "[ . 1]" 1
1064 1 92 THR H 1 104 PHE QB 5.460 . 5.460 4.947 4.894 5.019 . 0 0 "[ . 1]" 1
1065 1 93 TRP HA 1 93 TRP HE3 4.010 . 4.010 3.689 3.444 4.024 0.014 7 0 "[ . 1]" 1
1066 1 93 TRP HA 1 94 SER H 3.160 . 3.160 2.270 2.204 2.359 . 0 0 "[ . 1]" 1
1067 1 93 TRP HE3 1 94 SER H 4.220 . 4.220 3.375 3.088 3.543 . 0 0 "[ . 1]" 1
1068 1 93 TRP HA 1 100 LEU QB 5.500 . 5.500 5.859 5.575 6.133 0.633 10 2 "[ . - +]" 1
1069 1 93 TRP HE3 1 100 LEU QB . . 4.320 2.566 2.398 2.662 . 0 0 "[ . 1]" 1
1070 1 93 TRP HE3 1 100 LEU HG 4.380 . 4.380 4.292 4.099 4.431 0.051 9 0 "[ . 1]" 1
1071 1 93 TRP HZ3 1 100 LEU QB 4.130 . 4.130 2.404 2.162 2.621 . 0 0 "[ . 1]" 1
1072 1 93 TRP HE3 1 101 ILE H 4.800 . 4.800 3.692 3.428 3.866 . 0 0 "[ . 1]" 1
1073 1 93 TRP HE3 1 101 ILE HB 5.500 . 5.500 5.105 4.864 5.260 . 0 0 "[ . 1]" 1
1074 1 93 TRP HA 1 102 GLY H 4.910 . 4.910 4.591 4.478 4.679 . 0 0 "[ . 1]" 1
1075 1 93 TRP HE3 1 102 GLY H 5.500 . 5.500 4.331 3.950 4.622 . 0 0 "[ . 1]" 1
1076 1 93 TRP HZ3 1 102 GLY H 4.600 . 4.600 4.146 3.615 4.611 0.011 4 0 "[ . 1]" 1
1077 1 93 TRP HA 1 103 LYS H 4.190 . 4.190 3.362 3.121 3.527 . 0 0 "[ . 1]" 1
1078 1 93 TRP HA 1 103 LYS HB2 5.500 . 5.500 5.238 4.967 5.507 0.007 3 0 "[ . 1]" 1
1079 1 93 TRP HZ3 1 116 VAL HA 4.590 . 4.590 2.539 2.235 2.781 . 0 0 "[ . 1]" 1
1080 1 93 TRP HE3 1 117 ARG QD 5.500 . 5.500 5.103 4.904 5.322 . 0 0 "[ . 1]" 1
1081 1 93 TRP HH2 1 117 ARG H 5.500 . 5.500 3.117 2.846 3.355 . 0 0 "[ . 1]" 1
1082 1 93 TRP HH2 1 117 ARG QD 5.500 . 5.500 4.639 4.415 5.018 . 0 0 "[ . 1]" 1
1083 1 93 TRP HH2 1 117 ARG HG3 4.160 . 4.160 2.563 2.264 3.048 . 0 0 "[ . 1]" 1
1084 1 93 TRP HZ3 1 117 ARG H 4.480 . 4.480 1.949 1.879 2.035 . 0 0 "[ . 1]" 1
1085 1 93 TRP HZ3 1 117 ARG HG2 5.500 . 5.500 4.465 4.102 5.111 . 0 0 "[ . 1]" 1
1086 1 94 SER H 1 94 SER QB . . 3.730 3.038 2.795 3.351 . 0 0 "[ . 1]" 1
1087 1 94 SER QB 1 96 GLU HA 5.500 . 5.500 5.427 5.102 5.644 0.144 8 0 "[ . 1]" 1
1088 1 94 SER H 1 100 LEU HA 4.660 . 4.660 4.627 4.491 4.679 0.019 9 0 "[ . 1]" 1
1089 1 94 SER H 1 100 LEU QB 5.500 . 5.500 4.856 4.735 4.982 . 0 0 "[ . 1]" 1
1090 1 94 SER HA 1 101 ILE HB 4.720 . 4.720 4.907 4.891 4.942 0.222 2 0 "[ . 1]" 1
1091 1 94 SER QB 1 101 ILE H . . 5.050 4.402 4.265 4.629 . 0 0 "[ . 1]" 1
1092 1 94 SER QB 1 101 ILE HB . . 3.860 3.487 3.111 3.844 . 0 0 "[ . 1]" 1
1093 1 94 SER QB 1 101 ILE HG13 5.500 . 5.500 5.078 4.807 5.429 . 0 0 "[ . 1]" 1
1094 1 94 SER QB 1 101 ILE HG12 5.370 . 5.370 4.731 4.274 5.096 . 0 0 "[ . 1]" 1
1095 1 94 SER H 1 101 ILE H 3.680 . 3.680 3.096 3.021 3.170 . 0 0 "[ . 1]" 1
1096 1 94 SER H 1 101 ILE HB 4.350 . 4.350 3.099 3.006 3.201 . 0 0 "[ . 1]" 1
1097 1 94 SER H 1 103 LYS H 5.130 . 5.130 5.015 4.819 5.171 0.041 3 0 "[ . 1]" 1
1098 1 95 LEU H 1 95 LEU HB3 3.330 . 3.330 2.230 2.179 2.491 . 0 0 "[ . 1]" 1
1099 1 95 LEU H 1 95 LEU HB2 3.490 . 3.490 3.021 2.903 3.342 . 0 0 "[ . 1]" 1
1100 1 95 LEU HA 1 96 GLU HB2 4.770 . 4.770 4.460 4.321 4.610 . 0 0 "[ . 1]" 1
1101 1 95 LEU HA 1 96 GLU H 2.910 . 2.910 2.148 2.127 2.192 . 0 0 "[ . 1]" 1
1102 1 95 LEU HB2 1 96 GLU H 3.970 . 3.970 3.906 3.604 4.226 0.256 6 0 "[ . 1]" 1
1103 1 95 LEU HA 1 99 LYS H 5.420 . 5.420 4.797 4.610 4.908 . 0 0 "[ . 1]" 1
1104 1 95 LEU HA 1 100 LEU H 5.480 . 5.480 4.598 4.448 4.783 . 0 0 "[ . 1]" 1
1105 1 95 LEU HA 1 100 LEU HA 3.750 . 3.750 1.910 1.810 2.079 . 0 0 "[ . 1]" 1
1106 1 95 LEU HA 1 101 ILE H 4.320 . 4.320 2.542 2.453 2.683 . 0 0 "[ . 1]" 1
1107 1 95 LEU HA 1 101 ILE HG13 5.500 . 5.500 5.219 4.995 5.432 . 0 0 "[ . 1]" 1
1108 1 95 LEU H 1 101 ILE H 5.500 . 5.500 4.322 4.202 4.485 . 0 0 "[ . 1]" 1
1109 1 96 GLU H 1 96 GLU HB2 3.510 . 3.510 2.696 2.560 2.794 . 0 0 "[ . 1]" 1
1110 1 96 GLU H 1 96 GLU HB3 3.700 . 3.700 3.802 3.698 3.865 0.165 1 0 "[ . 1]" 1
1111 1 96 GLU HA 1 97 GLY H 2.870 . 2.870 2.164 2.130 2.218 . 0 0 "[ . 1]" 1
1112 1 96 GLU HA 1 97 GLY HA3 5.230 . 5.230 4.442 4.421 4.484 . 0 0 "[ . 1]" 1
1113 1 96 GLU HB3 1 97 GLY H 4.080 . 4.080 3.170 2.980 3.252 . 0 0 "[ . 1]" 1
1114 1 96 GLU HB2 1 97 GLY H 4.700 . 4.700 4.161 4.110 4.205 . 0 0 "[ . 1]" 1
1115 1 96 GLU H 1 99 LYS H 3.840 . 3.840 3.310 3.089 3.619 . 0 0 "[ . 1]" 1
1116 1 96 GLU H 1 99 LYS HB2 5.500 . 5.500 4.761 4.241 5.258 . 0 0 "[ . 1]" 1
1117 1 96 GLU H 1 100 LEU HA 4.100 . 4.100 3.154 3.051 3.323 . 0 0 "[ . 1]" 1
1118 1 96 GLU H 1 100 LEU H 5.500 . 5.500 4.863 4.758 5.007 . 0 0 "[ . 1]" 1
1119 1 96 GLU HB2 1 101 ILE HG13 4.150 . 4.150 3.135 2.874 3.712 . 0 0 "[ . 1]" 1
1120 1 96 GLU HB2 1 101 ILE HG12 4.410 . 4.410 2.737 2.476 3.215 . 0 0 "[ . 1]" 1
1121 1 96 GLU H 1 101 ILE H 4.610 . 4.610 3.607 3.176 3.890 . 0 0 "[ . 1]" 1
1122 1 96 GLU H 1 101 ILE HG13 4.510 . 4.510 4.516 4.183 4.949 0.439 1 0 "[ . 1]" 1
1123 1 96 GLU H 1 101 ILE HG12 4.980 . 4.980 3.028 2.650 3.433 . 0 0 "[ . 1]" 1
1124 1 97 GLY HA3 1 98 ASN H 3.120 . 3.120 2.092 2.077 2.102 . 0 0 "[ . 1]" 1
1125 1 97 GLY HA3 1 98 ASN HB3 5.080 . 5.080 5.237 4.758 5.550 0.470 1 0 "[ . 1]" 1
1126 1 97 GLY H 1 98 ASN H 4.110 . 4.110 4.256 4.233 4.280 0.170 10 0 "[ . 1]" 1
1127 1 97 GLY HA3 1 99 LYS H 4.610 2.100 4.610 3.716 3.647 3.798 . 0 0 "[ . 1]" 1
1128 1 97 GLY H 1 99 LYS H 4.940 . 4.940 4.623 4.575 4.687 . 0 0 "[ . 1]" 1
1129 1 98 ASN HA 1 98 ASN HD22 5.500 . 5.500 4.107 3.298 5.095 . 0 0 "[ . 1]" 1
1130 1 98 ASN HA 1 98 ASN HD21 4.170 . 4.170 3.275 2.154 4.062 . 0 0 "[ . 1]" 1
1131 1 98 ASN HB2 1 98 ASN HD22 3.800 . 3.800 3.563 3.494 3.695 . 0 0 "[ . 1]" 1
1132 1 98 ASN HB3 1 98 ASN HD22 3.820 . 3.820 4.088 4.062 4.105 0.285 6 0 "[ . 1]" 1
1133 1 98 ASN H 1 98 ASN HB3 3.750 . 3.750 3.502 3.360 3.687 . 0 0 "[ . 1]" 1
1134 1 98 ASN H 1 98 ASN HD22 5.500 . 5.500 4.524 3.296 5.329 . 0 0 "[ . 1]" 1
1135 1 98 ASN H 1 98 ASN HB2 3.680 . 3.680 2.856 2.486 3.697 0.017 10 0 "[ . 1]" 1
1136 1 98 ASN HB2 1 99 LYS H 4.100 . 4.100 4.168 4.106 4.294 0.194 10 0 "[ . 1]" 1
1137 1 98 ASN HB3 1 99 LYS H 4.840 . 4.840 4.349 4.073 4.673 . 0 0 "[ . 1]" 1
1138 1 98 ASN H 1 99 LYS HB2 5.020 . 5.020 3.702 3.565 4.108 . 0 0 "[ . 1]" 1
1139 1 98 ASN H 1 99 LYS H 3.120 . 3.120 2.307 2.221 2.397 . 0 0 "[ . 1]" 1
1140 1 99 LYS H 1 99 LYS HB2 3.300 . 3.300 2.761 2.659 2.955 . 0 0 "[ . 1]" 1
1141 1 99 LYS H 1 99 LYS HB3 3.640 . 3.640 3.549 3.079 3.887 0.247 6 0 "[ . 1]" 1
1142 1 99 LYS HA 1 100 LEU H 3.070 . 3.070 2.342 2.240 2.446 . 0 0 "[ . 1]" 1
1143 1 99 LYS HB3 1 100 LEU H 4.230 . 4.230 2.897 2.383 3.433 . 0 0 "[ . 1]" 1
1144 1 99 LYS HB2 1 100 LEU H 4.360 . 4.360 4.026 3.736 4.254 . 0 0 "[ . 1]" 1
1145 1 99 LYS H 1 100 LEU H 4.710 . 4.710 4.454 4.422 4.475 . 0 0 "[ . 1]" 1
1146 1 100 LEU HA 1 100 LEU HG 4.250 . 4.250 2.091 2.008 2.201 . 0 0 "[ . 1]" 1
1147 1 100 LEU HA 1 101 ILE HB 4.990 . 4.990 4.535 4.478 4.653 . 0 0 "[ . 1]" 1
1148 1 100 LEU HA 1 101 ILE HG13 5.230 . 5.230 5.396 5.289 5.544 0.314 6 0 "[ . 1]" 1
1149 1 100 LEU HA 1 101 ILE H 3.070 . 3.070 2.081 2.064 2.099 . 0 0 "[ . 1]" 1
1150 1 100 LEU QB 1 101 ILE H 5.000 . 5.000 3.446 3.283 3.562 . 0 0 "[ . 1]" 1
1151 1 100 LEU HG 1 101 ILE H 4.750 . 4.750 3.631 3.474 3.856 . 0 0 "[ . 1]" 1
1152 1 100 LEU H 1 101 ILE H 5.130 . 5.130 4.411 4.351 4.471 . 0 0 "[ . 1]" 1
1153 1 100 LEU H 1 116 VAL HA 5.500 . 5.500 5.025 4.840 5.148 . 0 0 "[ . 1]" 1
1154 1 100 LEU QB 1 117 ARG H . . 3.960 2.772 2.686 2.806 . 0 0 "[ . 1]" 1
1155 1 100 LEU QB 1 117 ARG QD 5.500 . 5.500 4.410 4.283 4.529 . 0 0 "[ . 1]" 1
1156 1 100 LEU HG 1 117 ARG H 5.500 . 5.500 5.708 5.637 5.733 0.233 7 0 "[ . 1]" 1
1157 1 100 LEU H 1 117 ARG H 4.010 . 4.010 3.869 3.727 3.993 . 0 0 "[ . 1]" 1
1158 1 101 ILE H 1 101 ILE HG12 3.960 . 3.960 2.496 2.378 2.579 . 0 0 "[ . 1]" 1
1159 1 101 ILE H 1 101 ILE HB 3.330 . 3.330 2.519 2.464 2.618 . 0 0 "[ . 1]" 1
1160 1 101 ILE H 1 101 ILE HG13 3.930 . 3.930 3.928 3.849 3.986 0.056 5 0 "[ . 1]" 1
1161 1 101 ILE HA 1 102 GLY H 3.210 . 3.210 2.178 2.148 2.207 . 0 0 "[ . 1]" 1
1162 1 101 ILE HB 1 102 GLY H 4.620 . 4.620 4.036 3.857 4.183 . 0 0 "[ . 1]" 1
1163 1 101 ILE HG12 1 102 GLY H 5.500 . 5.500 5.197 5.102 5.325 . 0 0 "[ . 1]" 1
1164 1 101 ILE HA 1 116 VAL HA 3.860 . 3.860 3.444 3.335 3.607 . 0 0 "[ . 1]" 1
1165 1 101 ILE HA 1 117 ARG H 4.820 . 4.820 4.711 4.530 4.799 . 0 0 "[ . 1]" 1
1166 1 102 GLY HA3 1 103 LYS H 3.250 . 3.250 3.313 3.210 3.378 0.128 4 0 "[ . 1]" 1
1167 1 102 GLY H 1 103 LYS H 4.840 . 4.840 4.158 4.009 4.315 . 0 0 "[ . 1]" 1
1168 1 102 GLY H 1 115 THR HA 5.500 . 5.500 5.025 4.953 5.144 . 0 0 "[ . 1]" 1
1169 1 102 GLY H 1 115 THR HB 5.500 . 5.500 5.610 5.569 5.643 0.143 10 0 "[ . 1]" 1
1170 1 102 GLY H 1 115 THR H 4.140 . 4.140 3.140 2.988 3.334 . 0 0 "[ . 1]" 1
1171 1 102 GLY H 1 116 VAL HA 4.200 . 4.200 3.570 3.291 3.758 . 0 0 "[ . 1]" 1
1172 1 103 LYS H 1 103 LYS HB2 3.740 . 3.740 2.571 2.461 2.690 . 0 0 "[ . 1]" 1
1173 1 103 LYS H 1 103 LYS HB3 3.690 . 3.690 3.530 3.457 3.599 . 0 0 "[ . 1]" 1
1174 1 103 LYS H 1 103 LYS HG3 4.790 . 4.790 3.989 3.815 4.064 . 0 0 "[ . 1]" 1
1175 1 103 LYS H 1 103 LYS HG2 4.820 . 4.820 4.780 4.560 4.877 0.057 7 0 "[ . 1]" 1
1176 1 103 LYS HA 1 104 PHE H 3.190 . 3.190 2.138 2.110 2.153 . 0 0 "[ . 1]" 1
1177 1 103 LYS HB2 1 104 PHE H 4.450 . 4.450 4.305 4.247 4.369 . 0 0 "[ . 1]" 1
1178 1 103 LYS HB3 1 104 PHE H 4.510 . 4.510 3.238 3.133 3.395 . 0 0 "[ . 1]" 1
1179 1 103 LYS HG2 1 104 PHE HA 5.500 . 5.500 5.514 5.324 5.584 0.084 7 0 "[ . 1]" 1
1180 1 103 LYS HG2 1 104 PHE H 4.860 . 4.860 3.467 3.275 3.736 . 0 0 "[ . 1]" 1
1181 1 103 LYS HG3 1 104 PHE H 4.890 . 4.890 4.015 3.651 4.390 . 0 0 "[ . 1]" 1
1182 1 103 LYS H 1 104 PHE H 4.490 . 4.490 4.363 4.320 4.424 . 0 0 "[ . 1]" 1
1183 1 103 LYS HA 1 114 ASN H 5.500 . 5.500 5.153 5.033 5.350 . 0 0 "[ . 1]" 1
1184 1 103 LYS HG2 1 114 ASN HD21 5.500 . 5.500 2.858 2.521 3.525 . 0 0 "[ . 1]" 1
1185 1 103 LYS HA 1 115 THR H 4.180 . 4.180 3.490 3.374 3.640 . 0 0 "[ . 1]" 1
1186 1 104 PHE HA 1 105 LYS H 3.140 . 3.140 2.262 2.215 2.299 . 0 0 "[ . 1]" 1
1187 1 104 PHE HA 1 105 LYS QG 5.500 . 5.500 3.542 3.153 4.337 . 0 0 "[ . 1]" 1
1188 1 104 PHE QB 1 105 LYS H . . 3.850 2.966 2.876 3.085 . 0 0 "[ . 1]" 1
1189 1 104 PHE H 1 105 LYS H 5.360 . 5.360 4.301 4.230 4.358 . 0 0 "[ . 1]" 1
1190 1 104 PHE QB 1 113 LEU H 4.990 . 4.990 4.455 4.113 4.656 . 0 0 "[ . 1]" 1
1191 1 104 PHE QB 1 113 LEU HB3 4.820 . 4.820 3.239 3.067 3.373 . 0 0 "[ . 1]" 1
1192 1 104 PHE QB 1 113 LEU HB2 4.740 . 4.740 4.482 4.345 4.572 . 0 0 "[ . 1]" 1
1193 1 104 PHE H 1 113 LEU H 4.390 . 4.390 3.297 3.080 3.479 . 0 0 "[ . 1]" 1
1194 1 104 PHE H 1 113 LEU HB2 4.890 . 4.890 4.646 4.558 4.780 . 0 0 "[ . 1]" 1
1195 1 104 PHE H 1 113 LEU HB3 5.330 . 5.330 3.080 2.988 3.295 . 0 0 "[ . 1]" 1
1196 1 104 PHE H 1 114 ASN HA 4.330 . 4.330 4.107 3.880 4.242 . 0 0 "[ . 1]" 1
1197 1 104 PHE H 1 115 THR H 5.170 . 5.170 5.180 5.100 5.232 0.062 4 0 "[ . 1]" 1
1198 1 105 LYS HA 1 105 LYS QG 3.800 . 3.800 2.541 2.120 2.858 . 0 0 "[ . 1]" 1
1199 1 105 LYS H 1 105 LYS QG 4.210 . 4.210 2.846 2.310 3.456 . 0 0 "[ . 1]" 1
1200 1 105 LYS HA 1 106 ARG H 3.070 . 3.070 2.174 2.161 2.192 . 0 0 "[ . 1]" 1
1201 1 105 LYS HA 1 106 ARG QG 5.220 . 5.220 4.043 3.594 4.369 . 0 0 "[ . 1]" 1
1202 1 105 LYS QG 1 106 ARG H 4.940 . 4.940 4.172 3.759 4.504 . 0 0 "[ . 1]" 1
1203 1 105 LYS HA 1 111 ASN H 5.130 . 5.130 4.633 4.557 4.727 . 0 0 "[ . 1]" 1
1204 1 105 LYS HA 1 112 GLU HG2 5.440 . 5.440 4.457 4.141 4.866 . 0 0 "[ . 1]" 1
1205 1 105 LYS HA 1 112 GLU HA 3.200 . 3.200 3.072 2.811 3.284 0.084 2 0 "[ . 1]" 1
1206 1 105 LYS QG 1 112 GLU H 5.260 . 5.260 4.347 3.975 4.940 . 0 0 "[ . 1]" 1
1207 1 105 LYS QG 1 112 GLU HG2 4.690 . 4.690 1.993 1.734 2.855 . 0 0 "[ . 1]" 1
1208 1 105 LYS QG 1 112 GLU HA 4.000 . 4.000 2.076 1.752 2.615 . 0 0 "[ . 1]" 1
1209 1 105 LYS HA 1 113 LEU H 3.280 . 3.280 3.199 3.020 3.307 0.027 7 0 "[ . 1]" 1
1210 1 105 LYS QG 1 113 LEU H 5.500 . 5.500 3.101 2.870 3.573 . 0 0 "[ . 1]" 1
1211 1 106 ARG HA 1 106 ARG HD2 4.920 . 4.920 4.645 4.440 4.917 . 0 0 "[ . 1]" 1
1212 1 106 ARG HA 1 106 ARG QG 4.000 . 4.000 2.416 2.304 2.576 . 0 0 "[ . 1]" 1
1213 1 106 ARG QB 1 106 ARG HE 3.770 . 3.770 3.866 2.973 4.091 0.321 8 0 "[ . 1]" 1
1214 1 106 ARG H 1 106 ARG HD2 5.380 . 5.380 3.679 3.549 3.822 . 0 0 "[ . 1]" 1
1215 1 106 ARG H 1 106 ARG QB 3.770 . 3.770 2.334 2.234 2.540 . 0 0 "[ . 1]" 1
1216 1 106 ARG H 1 106 ARG QG 4.130 . 4.130 2.515 2.026 2.803 . 0 0 "[ . 1]" 1
1217 1 106 ARG HA 1 107 THR H 3.360 . 3.360 2.267 2.213 2.324 . 0 0 "[ . 1]" 1
1218 1 106 ARG QB 1 107 THR H . . 4.510 2.845 2.639 3.016 . 0 0 "[ . 1]" 1
1219 1 106 ARG QG 1 107 THR H 5.500 . 5.500 3.846 3.551 4.219 . 0 0 "[ . 1]" 1
1220 1 106 ARG HA 1 108 ASP H 4.320 . 4.320 3.830 3.720 3.947 . 0 0 "[ . 1]" 1
1221 1 106 ARG QB 1 108 ASP H 3.850 . 3.850 2.405 2.286 2.606 . 0 0 "[ . 1]" 1
1222 1 106 ARG QG 1 108 ASP HB2 5.500 . 5.500 4.885 4.362 5.346 . 0 0 "[ . 1]" 1
1223 1 106 ARG QB 1 109 ASN H 4.220 . 4.220 2.979 2.742 3.086 . 0 0 "[ . 1]" 1
1224 1 106 ARG HD2 1 109 ASN HD21 5.370 . 5.370 4.835 3.691 5.122 . 0 0 "[ . 1]" 1
1225 1 106 ARG HD2 1 109 ASN HD22 5.450 . 5.450 5.320 3.780 5.524 0.074 6 0 "[ . 1]" 1
1226 1 106 ARG QG 1 109 ASN H 5.460 . 5.460 4.951 4.731 5.075 . 0 0 "[ . 1]" 1
1227 1 106 ARG QB 1 110 GLY H 4.440 . 4.440 2.784 2.555 3.069 . 0 0 "[ . 1]" 1
1228 1 106 ARG H 1 110 GLY HA3 5.500 . 5.500 5.304 5.086 5.647 0.147 5 0 "[ . 1]" 1
1229 1 106 ARG QB 1 111 ASN H 3.760 . 3.760 2.082 1.979 2.259 . 0 0 "[ . 1]" 1
1230 1 106 ARG HD2 1 111 ASN H 5.150 . 5.150 4.040 3.924 4.199 . 0 0 "[ . 1]" 1
1231 1 106 ARG HD2 1 111 ASN HB2 4.810 . 4.810 2.002 1.801 2.193 . 0 0 "[ . 1]" 1
1232 1 106 ARG HD2 1 111 ASN HB3 4.930 . 4.930 3.217 3.026 3.409 . 0 0 "[ . 1]" 1
1233 1 106 ARG QG 1 111 ASN H 4.840 . 4.840 4.033 3.717 4.192 . 0 0 "[ . 1]" 1
1234 1 106 ARG H 1 111 ASN H 5.050 . 5.050 3.013 2.943 3.108 . 0 0 "[ . 1]" 1
1235 1 107 THR HA 1 107 THR HB 3.000 . 3.000 2.518 2.372 2.633 . 0 0 "[ . 1]" 1
1236 1 107 THR H 1 107 THR HB 3.970 . 3.970 2.603 2.434 2.948 . 0 0 "[ . 1]" 1
1237 1 107 THR HB 1 108 ASP H 4.480 . 4.480 4.200 3.975 4.397 . 0 0 "[ . 1]" 1
1238 1 107 THR H 1 108 ASP H 3.440 . 3.440 2.420 2.250 2.561 . 0 0 "[ . 1]" 1
1239 1 107 THR H 1 108 ASP HB2 5.500 . 5.500 5.003 4.453 5.667 0.167 10 0 "[ . 1]" 1
1240 1 107 THR H 1 108 ASP HB3 5.500 . 5.500 5.716 5.087 6.025 0.525 3 1 "[ + . 1]" 1
1241 1 107 THR HA 1 110 GLY H 4.780 . 4.780 4.194 4.013 4.389 . 0 0 "[ . 1]" 1
1242 1 108 ASP H 1 108 ASP HB2 3.700 . 3.700 2.770 2.255 3.455 . 0 0 "[ . 1]" 1
1243 1 108 ASP H 1 108 ASP HB3 3.870 . 3.870 3.453 3.101 3.639 . 0 0 "[ . 1]" 1
1244 1 108 ASP HB2 1 109 ASN H 4.620 . 4.620 2.266 1.971 2.534 . 0 0 "[ . 1]" 1
1245 1 108 ASP HB3 1 109 ASN H 4.630 . 4.630 3.319 2.767 3.758 . 0 0 "[ . 1]" 1
1246 1 108 ASP H 1 109 ASN H 3.640 . 3.640 2.883 2.555 3.083 . 0 0 "[ . 1]" 1
1247 1 108 ASP H 1 109 ASN HD22 5.500 . 5.500 5.371 4.966 5.534 0.034 9 0 "[ . 1]" 1
1248 1 108 ASP HA 1 110 GLY H 5.500 . 5.500 4.856 4.679 5.033 . 0 0 "[ . 1]" 1
1249 1 108 ASP H 1 110 GLY H 4.450 . 4.450 3.519 3.208 3.833 . 0 0 "[ . 1]" 1
1250 1 109 ASN HA 1 109 ASN HD22 5.290 . 5.290 4.987 4.920 5.097 . 0 0 "[ . 1]" 1
1251 1 109 ASN H 1 109 ASN HD22 5.130 . 5.130 3.337 3.240 3.455 . 0 0 "[ . 1]" 1
1252 1 109 ASN H 1 109 ASN HB3 4.150 . 4.150 3.732 3.643 3.767 . 0 0 "[ . 1]" 1
1253 1 109 ASN H 1 109 ASN HD21 5.500 . 5.500 2.885 2.643 3.207 . 0 0 "[ . 1]" 1
1254 1 109 ASN HB2 1 110 GLY H 5.160 . 5.160 3.526 3.316 3.800 . 0 0 "[ . 1]" 1
1255 1 109 ASN HB3 1 110 GLY H 4.660 . 4.660 4.500 4.400 4.615 . 0 0 "[ . 1]" 1
1256 1 109 ASN H 1 110 GLY H 3.270 . 3.270 2.050 1.978 2.108 . 0 0 "[ . 1]" 1
1257 1 109 ASN H 1 110 GLY HA3 4.700 . 4.700 4.760 4.700 4.813 0.113 3 0 "[ . 1]" 1
1258 1 109 ASN HD21 1 111 ASN H 5.160 . 5.160 3.373 3.008 3.561 . 0 0 "[ . 1]" 1
1259 1 109 ASN HD21 1 111 ASN HD21 5.500 . 5.500 4.092 3.640 4.478 . 0 0 "[ . 1]" 1
1260 1 109 ASN HD21 1 111 ASN HD22 5.460 . 5.460 2.825 2.203 3.637 . 0 0 "[ . 1]" 1
1261 1 109 ASN HD21 1 111 ASN HB2 5.500 . 5.500 4.236 3.334 4.484 . 0 0 "[ . 1]" 1
1262 1 109 ASN HD21 1 111 ASN HA 4.570 . 4.570 4.620 4.571 4.655 0.085 9 0 "[ . 1]" 1
1263 1 109 ASN HD22 1 111 ASN H 5.330 . 5.330 4.826 4.372 5.028 . 0 0 "[ . 1]" 1
1264 1 109 ASN HD22 1 111 ASN HD21 5.500 . 5.500 5.084 4.510 5.436 . 0 0 "[ . 1]" 1
1265 1 109 ASN HD22 1 111 ASN HD22 5.500 . 5.500 3.605 2.851 4.641 . 0 0 "[ . 1]" 1
1266 1 110 GLY H 1 111 ASN H 3.450 . 3.450 2.369 2.238 2.541 . 0 0 "[ . 1]" 1
1267 1 111 ASN H 1 111 ASN HD21 4.840 . 4.840 4.558 4.359 4.865 0.025 5 0 "[ . 1]" 1
1268 1 111 ASN H 1 111 ASN HB2 3.320 . 3.320 2.591 2.428 2.722 . 0 0 "[ . 1]" 1
1269 1 111 ASN H 1 111 ASN HB3 3.470 . 3.470 3.623 3.607 3.632 0.162 4 0 "[ . 1]" 1
1270 1 111 ASN H 1 111 ASN HD22 5.500 . 5.500 4.532 4.384 4.959 . 0 0 "[ . 1]" 1
1271 1 111 ASN HA 1 112 GLU H 3.170 . 3.170 2.136 2.109 2.225 . 0 0 "[ . 1]" 1
1272 1 111 ASN HB2 1 112 GLU H 4.200 . 4.200 4.260 4.078 4.308 0.108 10 0 "[ . 1]" 1
1273 1 111 ASN HB3 1 112 GLU H 3.800 . 3.800 3.506 2.976 3.766 . 0 0 "[ . 1]" 1
1274 1 111 ASN H 1 112 GLU H 5.220 . 5.220 4.426 4.288 4.600 . 0 0 "[ . 1]" 1
1275 1 111 ASN HB2 1 113 LEU H 5.330 . 5.330 5.351 5.283 5.389 0.059 5 0 "[ . 1]" 1
1276 1 111 ASN HB3 1 131 GLU HG2 5.260 . 5.260 4.662 4.201 5.304 0.044 5 0 "[ . 1]" 1
1277 1 111 ASN HB3 1 131 GLU HG3 5.500 . 5.500 5.381 4.851 5.877 0.377 1 0 "[ . 1]" 1
1278 1 111 ASN HD21 1 131 GLU HG3 5.500 . 5.500 4.265 3.813 4.680 . 0 0 "[ . 1]" 1
1279 1 111 ASN HD22 1 131 GLU HG2 5.500 . 5.500 5.636 5.157 6.286 0.786 6 2 "[ .+ - 1]" 1
1280 1 112 GLU HA 1 112 GLU HG3 4.030 . 4.030 3.478 3.317 3.557 . 0 0 "[ . 1]" 1
1281 1 112 GLU HA 1 112 GLU HG2 4.180 . 4.180 2.219 2.101 2.371 . 0 0 "[ . 1]" 1
1282 1 112 GLU H 1 112 GLU HG2 3.590 . 3.590 3.683 3.604 3.798 0.208 8 0 "[ . 1]" 1
1283 1 112 GLU HA 1 113 LEU H 3.010 . 3.010 2.136 2.112 2.171 . 0 0 "[ . 1]" 1
1284 1 112 GLU HG2 1 113 LEU H 4.610 . 4.610 4.103 3.954 4.256 . 0 0 "[ . 1]" 1
1285 1 112 GLU HG3 1 113 LEU H 4.770 . 4.770 5.225 5.048 5.397 0.627 10 4 "[ *- * +]" 1
1286 1 112 GLU H 1 113 LEU H 4.790 . 4.790 4.378 4.286 4.422 . 0 0 "[ . 1]" 1
1287 1 112 GLU H 1 113 LEU HA 5.260 . 5.260 5.258 5.060 5.347 0.087 6 0 "[ . 1]" 1
1288 1 112 GLU HA 1 114 ASN HD22 5.500 . 5.500 4.864 4.679 5.066 . 0 0 "[ . 1]" 1
1289 1 112 GLU HA 1 114 ASN HD21 5.500 . 5.500 4.765 4.587 5.076 . 0 0 "[ . 1]" 1
1290 1 112 GLU HG2 1 114 ASN HD21 5.370 . 5.370 5.396 5.302 5.490 0.120 1 0 "[ . 1]" 1
1291 1 112 GLU HG2 1 114 ASN HD22 5.500 . 5.500 5.515 5.478 5.548 0.048 3 0 "[ . 1]" 1
1292 1 112 GLU HG3 1 114 ASN HD22 5.500 . 5.500 5.170 4.667 5.718 0.218 2 0 "[ . 1]" 1
1293 1 112 GLU HG3 1 114 ASN HD21 5.250 . 5.250 5.356 4.686 6.080 0.830 2 3 "[ + * -]" 1
1294 1 113 LEU HA 1 113 LEU HG 3.950 . 3.950 2.729 2.681 2.844 . 0 0 "[ . 1]" 1
1295 1 113 LEU H 1 113 LEU HB3 4.090 . 4.090 2.628 2.583 2.676 . 0 0 "[ . 1]" 1
1296 1 113 LEU H 1 113 LEU HG 5.230 . 5.230 4.490 4.455 4.519 . 0 0 "[ . 1]" 1
1297 1 113 LEU HA 1 114 ASN H 3.090 . 3.090 2.242 2.212 2.284 . 0 0 "[ . 1]" 1
1298 1 113 LEU HA 1 114 ASN HD22 5.500 . 5.500 3.519 3.470 3.677 . 0 0 "[ . 1]" 1
1299 1 113 LEU HB2 1 114 ASN H 4.610 . 4.610 4.070 4.002 4.110 . 0 0 "[ . 1]" 1
1300 1 113 LEU HB2 1 114 ASN HA 5.440 . 5.440 5.662 5.638 5.677 0.237 8 0 "[ . 1]" 1
1301 1 113 LEU HB3 1 114 ASN H 4.820 . 4.820 3.846 3.794 3.893 . 0 0 "[ . 1]" 1
1302 1 113 LEU HG 1 114 ASN H 4.840 . 4.840 2.143 2.085 2.188 . 0 0 "[ . 1]" 1
1303 1 113 LEU H 1 114 ASN H 5.080 . 5.080 4.499 4.476 4.513 . 0 0 "[ . 1]" 1
1304 1 113 LEU HA 1 130 TYR QB 4.920 . 4.920 4.644 4.520 4.775 . 0 0 "[ . 1]" 1
1305 1 113 LEU HG 1 130 TYR QB 4.730 . 4.730 4.264 4.146 4.488 . 0 0 "[ . 1]" 1
1306 1 114 ASN HA 1 114 ASN HD22 5.220 . 5.220 4.266 4.112 4.368 . 0 0 "[ . 1]" 1
1307 1 114 ASN H 1 114 ASN HD21 5.410 . 5.410 3.296 3.162 3.424 . 0 0 "[ . 1]" 1
1308 1 114 ASN H 1 114 ASN HD22 4.810 . 4.810 3.596 3.507 3.752 . 0 0 "[ . 1]" 1
1309 1 114 ASN H 1 114 ASN QB 3.760 . 3.760 3.073 2.980 3.135 . 0 0 "[ . 1]" 1
1310 1 114 ASN HA 1 115 THR H 2.970 . 2.970 2.174 2.148 2.249 . 0 0 "[ . 1]" 1
1311 1 114 ASN QB 1 115 THR H 3.950 . 3.950 3.117 2.924 3.236 . 0 0 "[ . 1]" 1
1312 1 114 ASN H 1 115 THR H 4.740 . 4.740 4.368 4.307 4.454 . 0 0 "[ . 1]" 1
1313 1 114 ASN HA 1 129 VAL HB 5.150 . 5.150 5.201 5.169 5.233 0.083 10 0 "[ . 1]" 1
1314 1 114 ASN QB 1 129 VAL H . . 4.950 3.718 3.437 4.043 . 0 0 "[ . 1]" 1
1315 1 114 ASN QB 1 129 VAL HB . . 3.530 3.159 2.776 3.377 . 0 0 "[ . 1]" 1
1316 1 114 ASN HD22 1 129 VAL HB 5.040 . 5.040 4.473 4.263 4.738 . 0 0 "[ . 1]" 1
1317 1 114 ASN H 1 129 VAL HB 4.040 . 4.040 3.239 3.128 3.463 . 0 0 "[ . 1]" 1
1318 1 114 ASN H 1 129 VAL H 3.930 . 3.930 2.980 2.872 3.084 . 0 0 "[ . 1]" 1
1319 1 115 THR HA 1 116 VAL HA 5.500 . 5.500 4.411 4.395 4.429 . 0 0 "[ . 1]" 1
1320 1 115 THR HA 1 116 VAL HB 5.100 . 5.100 4.870 4.646 4.998 . 0 0 "[ . 1]" 1
1321 1 115 THR HA 1 116 VAL H 3.270 . 3.270 2.176 2.124 2.221 . 0 0 "[ . 1]" 1
1322 1 115 THR HB 1 116 VAL H 4.090 . 4.090 4.029 3.898 4.121 0.031 8 0 "[ . 1]" 1
1323 1 115 THR H 1 116 VAL H 5.140 . 5.140 4.331 4.204 4.411 . 0 0 "[ . 1]" 1
1324 1 115 THR HA 1 127 THR H 5.160 . 5.160 4.873 4.607 5.142 . 0 0 "[ . 1]" 1
1325 1 115 THR HA 1 128 TYR HA 3.850 . 3.850 2.243 2.156 2.406 . 0 0 "[ . 1]" 1
1326 1 115 THR HA 1 128 TYR QR 5.280 . 5.280 3.949 3.715 4.300 . 0 0 "[ . 1]" 1
1327 1 115 THR HB 1 128 TYR QR 5.460 . 5.460 2.291 2.095 2.610 . 0 0 "[ . 1]" 1
1328 1 115 THR HB 1 128 TYR HA 5.040 . 5.040 2.881 2.667 3.151 . 0 0 "[ . 1]" 1
1329 1 115 THR H 1 128 TYR HA 5.420 . 5.420 4.653 4.617 4.726 . 0 0 "[ . 1]" 1
1330 1 115 THR HA 1 129 VAL H 4.360 . 4.360 3.414 3.319 3.536 . 0 0 "[ . 1]" 1
1331 1 116 VAL H 1 116 VAL HB 3.670 . 3.670 2.883 2.704 3.011 . 0 0 "[ . 1]" 1
1332 1 116 VAL HA 1 117 ARG H 3.170 . 3.170 2.279 2.253 2.321 . 0 0 "[ . 1]" 1
1333 1 116 VAL HB 1 117 ARG H 4.350 . 4.350 3.757 3.656 3.911 . 0 0 "[ . 1]" 1
1334 1 116 VAL H 1 117 ARG H 5.180 . 5.180 4.518 4.466 4.567 . 0 0 "[ . 1]" 1
1335 1 116 VAL HA 1 126 GLN HG3 5.500 . 5.500 5.213 5.071 5.393 . 0 0 "[ . 1]" 1
1336 1 116 VAL H 1 126 GLN HA 4.900 . 4.900 4.635 4.448 4.839 . 0 0 "[ . 1]" 1
1337 1 116 VAL H 1 126 GLN HG2 5.130 . 5.130 4.783 4.536 5.150 0.020 6 0 "[ . 1]" 1
1338 1 116 VAL H 1 126 GLN HG3 5.200 . 5.200 4.467 3.897 4.877 . 0 0 "[ . 1]" 1
1339 1 116 VAL HB 1 127 THR H 4.110 . 4.110 3.676 3.425 3.801 . 0 0 "[ . 1]" 1
1340 1 116 VAL HB 1 127 THR HB 3.600 . 3.600 3.105 2.825 3.271 . 0 0 "[ . 1]" 1
1341 1 116 VAL H 1 127 THR H 3.900 . 3.900 3.241 3.026 3.392 . 0 0 "[ . 1]" 1
1342 1 116 VAL H 1 127 THR HB 4.170 . 4.170 3.193 2.748 3.546 . 0 0 "[ . 1]" 1
1343 1 116 VAL H 1 128 TYR QR 5.360 . 5.360 4.740 4.395 5.033 . 0 0 "[ . 1]" 1
1344 1 116 VAL H 1 128 TYR HA 4.750 . 4.750 3.752 3.633 4.010 . 0 0 "[ . 1]" 1
1345 1 116 VAL H 1 129 VAL H 5.070 . 5.070 5.239 5.194 5.290 0.220 2 0 "[ . 1]" 1
1346 1 117 ARG H 1 117 ARG HG2 5.500 . 5.500 4.320 4.099 4.561 . 0 0 "[ . 1]" 1
1347 1 117 ARG HA 1 118 GLU H 3.130 . 3.130 2.185 2.143 2.207 . 0 0 "[ . 1]" 1
1348 1 117 ARG HG2 1 118 GLU H 5.360 . 5.360 3.600 3.178 3.975 . 0 0 "[ . 1]" 1
1349 1 117 ARG HG3 1 118 GLU H 5.500 . 5.500 4.884 4.520 5.216 . 0 0 "[ . 1]" 1
1350 1 117 ARG H 1 118 GLU H 4.850 . 4.850 4.422 4.377 4.499 . 0 0 "[ . 1]" 1
1351 1 117 ARG HA 1 126 GLN HG3 5.500 . 5.500 2.958 2.409 3.793 . 0 0 "[ . 1]" 1
1352 1 117 ARG HA 1 126 GLN HA 3.920 . 3.920 2.665 2.563 2.833 . 0 0 "[ . 1]" 1
1353 1 117 ARG HA 1 126 GLN HB2 4.320 . 4.320 4.251 3.967 4.406 0.086 7 0 "[ . 1]" 1
1354 1 117 ARG HG2 1 126 GLN HB2 5.500 . 5.500 3.474 3.117 4.044 . 0 0 "[ . 1]" 1
1355 1 117 ARG HG3 1 126 GLN HB2 5.120 . 5.120 4.511 3.546 5.570 0.450 2 0 "[ . 1]" 1
1356 1 117 ARG HG3 1 126 GLN HE22 5.500 . 5.500 4.027 2.244 5.138 . 0 0 "[ . 1]" 1
1357 1 117 ARG H 1 126 GLN HA 5.100 . 5.100 5.142 5.065 5.197 0.097 6 0 "[ . 1]" 1
1358 1 117 ARG HA 1 127 THR H 4.590 . 4.590 3.821 3.598 4.117 . 0 0 "[ . 1]" 1
1359 1 118 GLU HA 1 118 GLU QG 3.590 . 3.590 2.327 2.181 2.491 . 0 0 "[ . 1]" 1
1360 1 118 GLU HA 1 119 ILE H 3.090 . 3.090 2.455 2.370 2.566 . 0 0 "[ . 1]" 1
1361 1 118 GLU HB3 1 119 ILE H 4.160 . 4.160 3.304 3.003 3.667 . 0 0 "[ . 1]" 1
1362 1 118 GLU QG 1 119 ILE H 3.700 . 3.700 1.838 1.713 1.999 . 0 0 "[ . 1]" 1
1363 1 118 GLU H 1 119 ILE H 5.500 . 5.500 4.420 4.401 4.446 . 0 0 "[ . 1]" 1
1364 1 118 GLU QG 1 120 ILE QG 4.630 . 4.630 4.335 2.954 5.916 1.286 1 5 "[+ * .* -*1]" 1
1365 1 118 GLU QG 1 120 ILE HA 5.360 . 5.360 4.628 4.325 5.157 . 0 0 "[ . 1]" 1
1366 1 118 GLU H 1 125 VAL HA 5.500 . 5.500 5.145 5.056 5.234 . 0 0 "[ . 1]" 1
1367 1 118 GLU H 1 125 VAL H 4.010 . 4.010 3.659 3.481 3.771 . 0 0 "[ . 1]" 1
1368 1 118 GLU H 1 125 VAL HB 4.190 . 4.190 4.426 4.377 4.463 0.273 2 0 "[ . 1]" 1
1369 1 118 GLU H 1 126 GLN HA 4.400 . 4.400 3.401 3.217 3.556 . 0 0 "[ . 1]" 1
1370 1 119 ILE HA 1 119 ILE HG13 4.080 . 4.080 2.149 2.135 2.172 . 0 0 "[ . 1]" 1
1371 1 119 ILE H 1 119 ILE HB 3.260 . 3.260 3.129 2.984 3.234 . 0 0 "[ . 1]" 1
1372 1 119 ILE HA 1 120 ILE H 3.210 . 3.210 2.145 2.113 2.165 . 0 0 "[ . 1]" 1
1373 1 119 ILE HG12 1 120 ILE H 3.420 . 3.420 3.305 3.120 3.455 0.035 10 0 "[ . 1]" 1
1374 1 119 ILE HG12 1 120 ILE HA 4.610 . 4.610 4.393 4.226 4.546 . 0 0 "[ . 1]" 1
1375 1 119 ILE HG13 1 120 ILE H 3.830 . 3.830 2.486 2.388 2.606 . 0 0 "[ . 1]" 1
1376 1 119 ILE HG13 1 120 ILE HA 5.500 . 5.500 4.708 4.522 4.862 . 0 0 "[ . 1]" 1
1377 1 119 ILE HG13 1 122 ASP H 5.500 . 5.500 5.669 5.528 5.833 0.333 8 0 "[ . 1]" 1
1378 1 119 ILE HG12 1 123 GLU H 3.910 . 3.910 3.829 3.608 3.957 0.047 6 0 "[ . 1]" 1
1379 1 119 ILE HG13 1 123 GLU H 4.440 . 4.440 3.615 3.343 3.911 . 0 0 "[ . 1]" 1
1380 1 119 ILE HA 1 124 LEU HA 3.790 . 3.790 2.548 2.459 2.773 . 0 0 "[ . 1]" 1
1381 1 119 ILE HB 1 124 LEU HA 5.050 . 5.050 3.505 3.350 3.707 . 0 0 "[ . 1]" 1
1382 1 119 ILE HG12 1 124 LEU HA 3.950 . 3.950 4.040 4.013 4.072 0.122 2 0 "[ . 1]" 1
1383 1 119 ILE H 1 124 LEU HA 5.500 . 5.500 5.275 5.186 5.452 . 0 0 "[ . 1]" 1
1384 1 119 ILE HA 1 125 VAL H 4.390 . 4.390 2.823 2.714 3.062 . 0 0 "[ . 1]" 1
1385 1 119 ILE HB 1 125 VAL H 5.500 . 5.500 4.290 4.143 4.439 . 0 0 "[ . 1]" 1
1386 1 120 ILE HA 1 120 ILE QG 3.920 . 3.920 2.955 2.494 3.457 . 0 0 "[ . 1]" 1
1387 1 120 ILE H 1 120 ILE HB 3.580 . 3.580 3.210 2.677 3.728 0.148 3 0 "[ . 1]" 1
1388 1 120 ILE H 1 120 ILE QG . . 4.140 2.228 1.785 2.697 . 0 0 "[ . 1]" 1
1389 1 120 ILE HA 1 121 GLY H 2.890 . 2.890 2.176 2.138 2.230 . 0 0 "[ . 1]" 1
1390 1 120 ILE HA 1 121 GLY HA3 5.020 . 5.020 4.443 4.393 4.498 . 0 0 "[ . 1]" 1
1391 1 120 ILE HB 1 121 GLY H 4.490 . 4.490 3.589 2.971 4.198 . 0 0 "[ . 1]" 1
1392 1 120 ILE QG 1 121 GLY H 4.710 . 4.710 4.261 4.063 4.463 . 0 0 "[ . 1]" 1
1393 1 120 ILE H 1 121 GLY H 4.790 . 4.790 4.395 4.324 4.457 . 0 0 "[ . 1]" 1
1394 1 120 ILE HA 1 122 ASP H 5.440 . 5.440 5.485 5.443 5.559 0.119 8 0 "[ . 1]" 1
1395 1 120 ILE HB 1 122 ASP H 5.500 . 5.500 5.164 4.979 5.261 . 0 0 "[ . 1]" 1
1396 1 120 ILE HB 1 123 GLU H 5.480 . 5.480 4.666 4.371 5.047 . 0 0 "[ . 1]" 1
1397 1 120 ILE HB 1 123 GLU HB2 5.260 . 5.260 4.793 4.044 5.281 0.021 6 0 "[ . 1]" 1
1398 1 120 ILE QG 1 123 GLU H 5.500 . 5.500 4.564 3.285 5.644 0.144 5 0 "[ . 1]" 1
1399 1 120 ILE H 1 123 GLU HB2 4.710 . 4.710 4.349 3.993 4.670 . 0 0 "[ . 1]" 1
1400 1 120 ILE H 1 123 GLU H 3.980 . 3.980 3.627 3.445 3.782 . 0 0 "[ . 1]" 1
1401 1 120 ILE H 1 124 LEU HA 3.930 . 3.930 3.512 3.347 3.726 . 0 0 "[ . 1]" 1
1402 1 120 ILE H 1 125 VAL H 4.700 . 4.700 4.154 4.021 4.456 . 0 0 "[ . 1]" 1
1403 1 121 GLY HA3 1 122 ASP H 3.190 . 3.190 2.113 2.095 2.126 . 0 0 "[ . 1]" 1
1404 1 121 GLY HA3 1 122 ASP HB2 4.370 . 4.370 4.088 4.013 4.197 . 0 0 "[ . 1]" 1
1405 1 121 GLY H 1 122 ASP H 4.640 . 4.640 4.320 4.298 4.352 . 0 0 "[ . 1]" 1
1406 1 121 GLY HA3 1 123 GLU H 4.750 . 4.750 3.729 3.605 3.841 . 0 0 "[ . 1]" 1
1407 1 121 GLY H 1 123 GLU H 4.910 . 4.910 4.721 4.653 4.811 . 0 0 "[ . 1]" 1
1408 1 122 ASP H 1 122 ASP HB3 3.860 . 3.860 3.033 2.839 3.322 . 0 0 "[ . 1]" 1
1409 1 122 ASP H 1 122 ASP HB2 3.750 . 3.750 2.744 2.560 2.905 . 0 0 "[ . 1]" 1
1410 1 122 ASP HB2 1 123 GLU H 4.620 . 4.620 4.381 4.207 4.513 . 0 0 "[ . 1]" 1
1411 1 122 ASP HB3 1 123 GLU H 4.490 . 4.490 4.042 3.859 4.154 . 0 0 "[ . 1]" 1
1412 1 122 ASP HB3 1 123 GLU HA 5.290 . 5.290 4.636 4.513 4.789 . 0 0 "[ . 1]" 1
1413 1 122 ASP H 1 123 GLU HB2 5.000 . 5.000 4.305 3.721 4.870 . 0 0 "[ . 1]" 1
1414 1 122 ASP H 1 123 GLU QG 5.130 . 5.130 3.138 2.552 3.976 . 0 0 "[ . 1]" 1
1415 1 122 ASP H 1 123 GLU HA 5.500 . 5.500 4.706 4.614 4.766 . 0 0 "[ . 1]" 1
1416 1 122 ASP H 1 123 GLU H 3.180 . 3.180 2.328 2.141 2.451 . 0 0 "[ . 1]" 1
1417 1 123 GLU H 1 123 GLU QG 3.840 . 3.840 2.856 2.276 3.521 . 0 0 "[ . 1]" 1
1418 1 123 GLU H 1 123 GLU HB2 3.270 . 3.270 2.896 2.622 3.325 0.055 10 0 "[ . 1]" 1
1419 1 123 GLU H 1 123 GLU HB3 3.900 . 3.900 3.813 3.703 3.883 . 0 0 "[ . 1]" 1
1420 1 123 GLU HA 1 124 LEU QB 4.910 . 4.910 4.078 4.048 4.100 . 0 0 "[ . 1]" 1
1421 1 123 GLU HA 1 124 LEU H 3.240 . 3.240 2.242 2.175 2.306 . 0 0 "[ . 1]" 1
1422 1 123 GLU QG 1 124 LEU H . . 4.750 4.259 3.900 4.592 . 0 0 "[ . 1]" 1
1423 1 123 GLU HA 1 140 LYS QG 5.500 . 5.500 3.878 3.286 4.637 . 0 0 "[ . 1]" 1
1424 1 123 GLU HB3 1 140 LYS HA 4.280 . 4.280 3.407 2.681 4.481 0.201 1 0 "[ . 1]" 1
1425 1 123 GLU QG 1 140 LYS QG . . 4.460 2.892 2.178 3.617 . 0 0 "[ . 1]" 1
1426 1 123 GLU QG 1 140 LYS HA . . 4.530 3.652 2.958 4.653 0.123 10 0 "[ . 1]" 1
1427 1 123 GLU QG 1 140 LYS QE 5.470 . 5.470 5.590 5.097 6.436 0.966 10 2 "[ - +]" 1
1428 1 123 GLU QG 1 140 LYS HB2 4.000 . 4.000 3.372 2.942 4.531 0.531 10 1 "[ . +]" 1
1429 1 123 GLU HA 1 141 LYS H 4.990 . 4.990 4.090 3.710 4.320 . 0 0 "[ . 1]" 1
1430 1 123 GLU QG 1 141 LYS H 5.290 . 5.290 4.675 3.987 5.702 0.412 10 0 "[ . 1]" 1
1431 1 124 LEU HA 1 124 LEU HG 4.140 . 4.140 3.030 3.010 3.074 . 0 0 "[ . 1]" 1
1432 1 124 LEU H 1 124 LEU QB 3.740 . 3.740 2.294 2.260 2.337 . 0 0 "[ . 1]" 1
1433 1 124 LEU H 1 124 LEU HG 4.710 . 4.710 4.449 4.398 4.491 . 0 0 "[ . 1]" 1
1434 1 124 LEU HA 1 125 VAL H 3.230 . 3.230 2.223 2.197 2.238 . 0 0 "[ . 1]" 1
1435 1 124 LEU HA 1 125 VAL HB 5.330 . 5.330 5.544 5.523 5.564 0.234 2 0 "[ . 1]" 1
1436 1 124 LEU QB 1 125 VAL H . . 4.770 3.531 3.495 3.562 . 0 0 "[ . 1]" 1
1437 1 124 LEU HG 1 125 VAL H 4.190 . 4.190 2.422 2.349 2.488 . 0 0 "[ . 1]" 1
1438 1 124 LEU H 1 125 VAL H 4.960 . 4.960 4.592 4.575 4.607 . 0 0 "[ . 1]" 1
1439 1 124 LEU H 1 138 ILE HA 5.290 . 5.290 5.249 5.122 5.313 0.023 9 0 "[ . 1]" 1
1440 1 124 LEU HA 1 139 PHE HB2 5.500 . 5.500 5.461 5.347 5.522 0.022 4 0 "[ . 1]" 1
1441 1 124 LEU QB 1 139 PHE HB3 4.160 . 4.160 4.227 4.134 4.355 0.195 8 0 "[ . 1]" 1
1442 1 124 LEU QB 1 139 PHE H . . 4.950 3.493 3.357 3.576 . 0 0 "[ . 1]" 1
1443 1 124 LEU QB 1 139 PHE HB2 4.250 . 4.250 2.623 2.560 2.702 . 0 0 "[ . 1]" 1
1444 1 124 LEU HG 1 139 PHE HB2 4.680 . 4.680 4.306 4.035 4.647 . 0 0 "[ . 1]" 1
1445 1 124 LEU H 1 139 PHE H 4.200 . 4.200 3.943 3.705 4.137 . 0 0 "[ . 1]" 1
1446 1 124 LEU H 1 139 PHE HB2 4.310 . 4.310 3.995 3.838 4.195 . 0 0 "[ . 1]" 1
1447 1 124 LEU H 1 140 LYS H 5.410 . 5.410 5.203 5.029 5.410 . 0 0 "[ . 1]" 1
1448 1 124 LEU H 1 140 LYS HA 4.970 . 4.970 3.392 3.190 3.609 . 0 0 "[ . 1]" 1
1449 1 125 VAL H 1 125 VAL HB 3.520 . 3.520 3.705 3.670 3.732 0.212 8 0 "[ . 1]" 1
1450 1 125 VAL HA 1 126 GLN HB2 4.380 . 4.380 4.176 4.014 4.364 . 0 0 "[ . 1]" 1
1451 1 125 VAL HA 1 126 GLN H 3.240 . 3.240 2.171 2.148 2.191 . 0 0 "[ . 1]" 1
1452 1 125 VAL HA 1 138 ILE HG12 4.530 . 4.530 4.222 3.834 4.564 0.034 5 0 "[ . 1]" 1
1453 1 125 VAL HA 1 138 ILE HG13 4.900 . 4.900 4.559 3.621 5.095 0.195 9 0 "[ . 1]" 1
1454 1 125 VAL HA 1 138 ILE HA 3.710 . 3.710 2.725 2.655 2.835 . 0 0 "[ . 1]" 1
1455 1 125 VAL HB 1 138 ILE HG12 5.500 . 5.500 4.332 3.925 4.696 . 0 0 "[ . 1]" 1
1456 1 125 VAL HA 1 139 PHE H 4.460 . 4.460 3.341 3.166 3.486 . 0 0 "[ . 1]" 1
1457 1 126 GLN HA 1 126 GLN HG3 3.900 . 3.900 2.228 2.100 2.416 . 0 0 "[ . 1]" 1
1458 1 126 GLN HB2 1 126 GLN HE22 5.500 . 5.500 3.727 3.260 4.506 . 0 0 "[ . 1]" 1
1459 1 126 GLN H 1 126 GLN HB2 4.200 . 4.200 3.031 2.874 3.254 . 0 0 "[ . 1]" 1
1460 1 126 GLN HA 1 127 THR H 3.380 . 3.380 2.183 2.158 2.225 . 0 0 "[ . 1]" 1
1461 1 126 GLN HA 1 127 THR HB 5.290 . 5.290 4.699 4.558 4.886 . 0 0 "[ . 1]" 1
1462 1 126 GLN HB2 1 127 THR H 5.250 . 5.250 4.553 4.389 4.644 . 0 0 "[ . 1]" 1
1463 1 126 GLN HG2 1 127 THR H 4.620 . 4.620 4.062 3.745 4.364 . 0 0 "[ . 1]" 1
1464 1 126 GLN HG3 1 127 THR H 4.550 . 4.550 3.520 2.997 3.892 . 0 0 "[ . 1]" 1
1465 1 126 GLN H 1 127 THR H 4.680 . 4.680 3.937 3.754 4.105 . 0 0 "[ . 1]" 1
1466 1 126 GLN HG3 1 128 TYR QR 5.390 . 5.390 3.910 3.595 4.297 . 0 0 "[ . 1]" 1
1467 1 126 GLN HB3 1 136 LYS HA 5.500 . 5.500 4.844 4.691 5.045 . 0 0 "[ . 1]" 1
1468 1 126 GLN H 1 136 LYS HA 5.390 . 5.390 4.527 4.385 4.666 . 0 0 "[ . 1]" 1
1469 1 126 GLN H 1 137 ARG H 4.090 . 4.090 3.156 2.932 3.312 . 0 0 "[ . 1]" 1
1470 1 126 GLN H 1 138 ILE HG13 5.360 . 5.360 5.083 4.291 5.570 0.210 9 0 "[ . 1]" 1
1471 1 126 GLN H 1 138 ILE HA 4.370 . 4.370 4.030 3.891 4.151 . 0 0 "[ . 1]" 1
1472 1 126 GLN H 1 139 PHE H 5.150 . 5.150 4.884 4.737 5.042 . 0 0 "[ . 1]" 1
1473 1 127 THR H 1 127 THR HB 4.020 . 4.020 2.534 2.395 2.725 . 0 0 "[ . 1]" 1
1474 1 127 THR HA 1 128 TYR H 3.260 . 3.260 2.179 2.144 2.247 . 0 0 "[ . 1]" 1
1475 1 127 THR HB 1 128 TYR H 4.430 . 4.430 4.038 3.687 4.247 . 0 0 "[ . 1]" 1
1476 1 127 THR H 1 128 TYR H 5.500 . 5.500 4.535 4.482 4.574 . 0 0 "[ . 1]" 1
1477 1 127 THR H 1 128 TYR QR 5.500 . 5.500 4.320 3.991 4.777 . 0 0 "[ . 1]" 1
1478 1 127 THR HA 1 135 ALA H 5.230 . 5.230 5.039 4.890 5.233 0.003 1 0 "[ . 1]" 1
1479 1 127 THR HA 1 136 LYS QB 5.270 . 5.270 1.946 1.769 2.242 . 0 0 "[ . 1]" 1
1480 1 127 THR HA 1 136 LYS HG2 4.220 . 4.220 3.577 3.362 3.924 . 0 0 "[ . 1]" 1
1481 1 127 THR HA 1 136 LYS HA 3.680 . 3.680 2.406 2.131 2.668 . 0 0 "[ . 1]" 1
1482 1 127 THR HA 1 137 ARG H 4.710 . 4.710 3.864 3.608 4.061 . 0 0 "[ . 1]" 1
1483 1 128 TYR H 1 128 TYR QR 4.340 . 4.340 2.502 2.359 2.651 . 0 0 "[ . 1]" 1
1484 1 128 TYR H 1 128 TYR HB2 4.090 . 4.090 2.734 2.519 2.944 . 0 0 "[ . 1]" 1
1485 1 128 TYR HA 1 129 VAL H 3.170 . 3.170 2.173 2.105 2.215 . 0 0 "[ . 1]" 1
1486 1 128 TYR HA 1 129 VAL HA 4.780 . 4.780 4.394 4.374 4.419 . 0 0 "[ . 1]" 1
1487 1 128 TYR HA 1 129 VAL HB 5.500 . 5.500 5.034 4.915 5.203 . 0 0 "[ . 1]" 1
1488 1 128 TYR HB3 1 129 VAL H 3.830 . 3.830 2.982 2.849 3.292 . 0 0 "[ . 1]" 1
1489 1 128 TYR HB2 1 129 VAL H 4.990 . 4.990 3.944 3.884 3.999 . 0 0 "[ . 1]" 1
1490 1 128 TYR H 1 129 VAL H 4.990 . 4.990 4.370 4.198 4.455 . 0 0 "[ . 1]" 1
1491 1 128 TYR QR 1 129 VAL H 5.000 . 5.000 4.230 3.978 4.591 . 0 0 "[ . 1]" 1
1492 1 128 TYR H 1 134 GLU HA 4.780 . 4.780 4.460 4.204 4.789 0.009 9 0 "[ . 1]" 1
1493 1 128 TYR H 1 134 GLU QG 5.500 . 5.500 3.834 3.361 4.103 . 0 0 "[ . 1]" 1
1494 1 128 TYR HB3 1 135 ALA H 5.500 . 5.500 4.971 4.780 5.181 . 0 0 "[ . 1]" 1
1495 1 128 TYR HB2 1 135 ALA H 4.240 . 4.240 3.830 3.581 4.088 . 0 0 "[ . 1]" 1
1496 1 128 TYR H 1 135 ALA H 3.610 . 3.610 3.366 3.194 3.565 . 0 0 "[ . 1]" 1
1497 1 128 TYR QR 1 135 ALA H 5.180 . 5.180 4.941 4.417 5.384 0.204 4 0 "[ . 1]" 1
1498 1 128 TYR H 1 136 LYS H 5.370 . 5.370 4.730 4.644 4.809 . 0 0 "[ . 1]" 1
1499 1 128 TYR H 1 136 LYS QB 5.500 . 5.500 3.737 3.533 4.048 . 0 0 "[ . 1]" 1
1500 1 128 TYR H 1 136 LYS HA 3.960 . 3.960 3.115 2.853 3.393 . 0 0 "[ . 1]" 1
1501 1 128 TYR QR 1 136 LYS H 5.500 . 5.500 5.147 4.470 5.921 0.421 4 0 "[ . 1]" 1
1502 1 128 TYR QR 1 136 LYS HA 5.500 . 5.500 2.894 2.247 3.614 . 0 0 "[ . 1]" 1
1503 1 128 TYR QR 1 137 ARG H 4.920 . 4.920 3.387 2.676 4.082 . 0 0 "[ . 1]" 1
1504 1 128 TYR QR 1 137 ARG HB3 5.500 . 5.500 4.313 3.451 4.910 . 0 0 "[ . 1]" 1
1505 1 129 VAL H 1 129 VAL HB 3.480 . 3.480 3.023 2.928 3.185 . 0 0 "[ . 1]" 1
1506 1 129 VAL HA 1 130 TYR H 2.970 . 2.970 2.152 2.137 2.162 . 0 0 "[ . 1]" 1
1507 1 129 VAL HB 1 130 TYR H 4.380 . 4.380 3.978 3.870 4.090 . 0 0 "[ . 1]" 1
1508 1 129 VAL HA 1 132 GLY H 5.430 . 5.430 5.296 5.094 5.449 0.019 5 0 "[ . 1]" 1
1509 1 129 VAL HA 1 133 VAL H 5.000 . 5.000 4.510 3.891 5.025 0.025 9 0 "[ . 1]" 1
1510 1 129 VAL HA 1 133 VAL HB 5.240 . 5.240 4.826 4.501 5.064 . 0 0 "[ . 1]" 1
1511 1 129 VAL HA 1 134 GLU H 5.500 . 5.500 4.452 4.207 4.594 . 0 0 "[ . 1]" 1
1512 1 129 VAL HA 1 134 GLU HB2 3.930 . 3.930 3.956 3.939 3.974 0.044 5 0 "[ . 1]" 1
1513 1 129 VAL HA 1 134 GLU HA 3.520 . 3.520 2.185 2.014 2.388 . 0 0 "[ . 1]" 1
1514 1 129 VAL HA 1 134 GLU QG 5.410 . 5.410 3.289 2.606 3.904 . 0 0 "[ . 1]" 1
1515 1 129 VAL HA 1 135 ALA H 4.170 . 4.170 3.363 3.181 3.490 . 0 0 "[ . 1]" 1
1516 1 130 TYR HA 1 131 GLU HG2 5.500 . 5.500 3.740 3.297 4.006 . 0 0 "[ . 1]" 1
1517 1 130 TYR HA 1 131 GLU H 3.130 . 3.130 2.155 2.144 2.170 . 0 0 "[ . 1]" 1
1518 1 130 TYR QB 1 131 GLU H 4.830 . 4.830 3.932 3.906 3.959 . 0 0 "[ . 1]" 1
1519 1 130 TYR H 1 131 GLU H 4.650 . 4.650 4.051 3.977 4.141 . 0 0 "[ . 1]" 1
1520 1 130 TYR HA 1 132 GLY H 4.620 . 4.620 4.402 4.163 4.628 0.008 7 0 "[ . 1]" 1
1521 1 130 TYR H 1 132 GLY H 4.710 . 4.710 4.302 4.061 4.541 . 0 0 "[ . 1]" 1
1522 1 130 TYR HA 1 133 VAL H 5.380 . 5.380 4.635 4.363 4.869 . 0 0 "[ . 1]" 1
1523 1 130 TYR HA 1 133 VAL QG 5.500 . 5.500 5.066 4.882 5.239 . 0 0 "[ . 1]" 1
1524 1 130 TYR H 1 133 VAL HB 4.330 . 4.330 3.120 2.770 3.424 . 0 0 "[ . 1]" 1
1525 1 130 TYR H 1 133 VAL H 3.540 . 3.540 3.143 2.691 3.475 . 0 0 "[ . 1]" 1
1526 1 130 TYR H 1 133 VAL QG 4.410 . 4.410 3.395 3.175 3.528 . 0 0 "[ . 1]" 1
1527 1 130 TYR H 1 134 GLU HA 4.060 . 4.060 3.594 3.441 3.804 . 0 0 "[ . 1]" 1
1528 1 130 TYR H 1 135 ALA H 5.050 . 5.050 4.338 4.179 4.415 . 0 0 "[ . 1]" 1
1529 1 131 GLU HA 1 131 GLU HG3 4.190 . 4.190 3.781 3.671 4.050 . 0 0 "[ . 1]" 1
1530 1 131 GLU HA 1 131 GLU HG2 3.860 . 3.860 3.069 2.700 3.426 . 0 0 "[ . 1]" 1
1531 1 131 GLU H 1 131 GLU HG3 3.950 . 3.950 4.179 3.455 4.392 0.442 1 0 "[ . 1]" 1
1532 1 131 GLU H 1 131 GLU HG2 3.860 . 3.860 2.737 2.297 2.986 . 0 0 "[ . 1]" 1
1533 1 131 GLU HA 1 132 GLY H 3.250 . 3.250 2.631 2.526 2.714 . 0 0 "[ . 1]" 1
1534 1 131 GLU HA 1 132 GLY HA3 5.500 . 5.500 4.334 4.307 4.358 . 0 0 "[ . 1]" 1
1535 1 131 GLU HB2 1 132 GLY H 5.000 . 5.000 4.376 4.313 4.464 . 0 0 "[ . 1]" 1
1536 1 131 GLU HB3 1 132 GLY H 4.620 . 4.620 4.425 4.351 4.486 . 0 0 "[ . 1]" 1
1537 1 131 GLU HG2 1 132 GLY H 5.130 . 5.130 5.034 4.842 5.267 0.137 4 0 "[ . 1]" 1
1538 1 131 GLU H 1 132 GLY H 3.720 . 3.720 2.999 2.869 3.157 . 0 0 "[ . 1]" 1
1539 1 131 GLU HA 1 133 VAL H 4.780 . 4.780 4.329 4.271 4.400 . 0 0 "[ . 1]" 1
1540 1 131 GLU HA 1 133 VAL QG 5.440 . 5.440 5.246 4.709 5.491 0.051 4 0 "[ . 1]" 1
1541 1 131 GLU HB2 1 133 VAL H 4.850 . 4.850 4.067 3.575 4.646 . 0 0 "[ . 1]" 1
1542 1 131 GLU HB3 1 133 VAL H 4.750 . 4.750 4.905 4.347 5.624 0.874 5 2 "[ + - 1]" 1
1543 1 131 GLU H 1 133 VAL H 5.050 . 5.050 4.179 4.001 4.339 . 0 0 "[ . 1]" 1
1544 1 132 GLY H 1 133 VAL HB 4.980 . 4.980 4.993 4.884 5.031 0.051 5 0 "[ . 1]" 1
1545 1 133 VAL HA 1 133 VAL QG 3.040 . 3.040 2.116 2.091 2.145 . 0 0 "[ . 1]" 1
1546 1 133 VAL H 1 133 VAL HB 3.040 . 3.040 2.457 2.256 2.712 . 0 0 "[ . 1]" 1
1547 1 133 VAL H 1 133 VAL QG 3.130 . 3.130 2.654 2.372 2.949 . 0 0 "[ . 1]" 1
1548 1 133 VAL HA 1 134 GLU HB3 4.710 . 4.710 4.898 4.658 5.220 0.510 7 1 "[ . + 1]" 1
1549 1 133 VAL HA 1 134 GLU H 2.750 . 2.750 2.150 2.120 2.196 . 0 0 "[ . 1]" 1
1550 1 133 VAL HA 1 134 GLU HA 5.040 . 5.040 4.399 4.381 4.433 . 0 0 "[ . 1]" 1
1551 1 133 VAL HB 1 134 GLU H 4.410 . 4.410 4.444 4.406 4.477 0.067 2 0 "[ . 1]" 1
1552 1 133 VAL QG 1 134 GLU H 3.410 . 3.410 2.894 2.689 3.242 . 0 0 "[ . 1]" 1
1553 1 133 VAL HA 1 135 ALA H 5.370 . 5.370 5.383 5.199 5.440 0.070 4 0 "[ . 1]" 1
1554 1 134 GLU H 1 134 GLU HB2 3.210 . 3.210 2.643 2.311 2.831 . 0 0 "[ . 1]" 1
1555 1 134 GLU H 1 134 GLU HB3 3.430 . 3.430 2.777 2.568 3.031 . 0 0 "[ . 1]" 1
1556 1 134 GLU HA 1 135 ALA H 2.920 . 2.920 2.151 2.123 2.186 . 0 0 "[ . 1]" 1
1557 1 134 GLU QG 1 135 ALA H . . 3.890 3.315 3.089 3.552 . 0 0 "[ . 1]" 1
1558 1 134 GLU QG 1 135 ALA HA 5.450 . 5.450 4.603 4.301 4.862 . 0 0 "[ . 1]" 1
1559 1 134 GLU H 1 135 ALA H 4.690 . 4.690 4.151 4.032 4.245 . 0 0 "[ . 1]" 1
1560 1 135 ALA HA 1 136 LYS H 3.160 . 3.160 2.350 2.263 2.431 . 0 0 "[ . 1]" 1
1561 1 135 ALA H 1 136 LYS H 4.690 . 4.690 4.515 4.489 4.545 . 0 0 "[ . 1]" 1
1562 1 136 LYS QB 1 136 LYS HG3 2.770 . 2.770 2.421 2.365 2.490 . 0 0 "[ . 1]" 1
1563 1 136 LYS H 1 136 LYS HG2 5.500 . 5.500 4.075 3.954 4.154 . 0 0 "[ . 1]" 1
1564 1 136 LYS HA 1 137 ARG H 3.490 . 3.490 2.255 2.147 2.338 . 0 0 "[ . 1]" 1
1565 1 136 LYS QB 1 137 ARG H . . 4.290 2.718 2.538 2.986 . 0 0 "[ . 1]" 1
1566 1 137 ARG HA 1 137 ARG HE 5.500 . 5.500 4.386 2.678 5.103 . 0 0 "[ . 1]" 1
1567 1 137 ARG HA 1 137 ARG QD 4.360 . 4.360 3.206 2.580 3.941 . 0 0 "[ . 1]" 1
1568 1 137 ARG H 1 137 ARG HG3 5.470 . 5.470 4.393 3.857 4.565 . 0 0 "[ . 1]" 1
1569 1 137 ARG HA 1 138 ILE H 3.330 . 3.330 2.161 2.141 2.173 . 0 0 "[ . 1]" 1
1570 1 138 ILE HA 1 138 ILE HG13 4.200 . 4.200 2.833 2.416 3.121 . 0 0 "[ . 1]" 1
1571 1 138 ILE HA 1 138 ILE HG12 4.130 . 4.130 2.859 2.645 3.359 . 0 0 "[ . 1]" 1
1572 1 138 ILE H 1 138 ILE HB 3.350 . 3.350 2.598 2.532 2.687 . 0 0 "[ . 1]" 1
1573 1 138 ILE H 1 138 ILE HG13 4.200 . 4.200 2.516 2.201 2.994 . 0 0 "[ . 1]" 1
1574 1 138 ILE H 1 138 ILE HG12 4.590 . 4.590 3.855 3.510 4.152 . 0 0 "[ . 1]" 1
1575 1 138 ILE HA 1 139 PHE H 3.310 . 3.310 2.146 2.126 2.162 . 0 0 "[ . 1]" 1
1576 1 138 ILE HB 1 139 PHE H 5.310 . 5.310 4.284 4.035 4.397 . 0 0 "[ . 1]" 1
1577 1 138 ILE HG13 1 139 PHE H 4.830 . 4.830 4.911 4.533 5.122 0.292 6 0 "[ . 1]" 1
1578 1 138 ILE H 1 139 PHE H 5.200 . 5.200 4.315 4.201 4.478 . 0 0 "[ . 1]" 1
1579 1 139 PHE H 1 139 PHE HB2 4.120 . 4.120 2.722 2.649 2.828 . 0 0 "[ . 1]" 1
1580 1 139 PHE HA 1 140 LYS H 3.190 . 3.190 2.139 2.122 2.153 . 0 0 "[ . 1]" 1
1581 1 139 PHE HA 1 140 LYS HB2 4.830 . 4.830 4.547 4.373 4.758 . 0 0 "[ . 1]" 1
1582 1 139 PHE HB2 1 140 LYS H 4.790 . 4.790 4.037 3.976 4.075 . 0 0 "[ . 1]" 1
1583 1 139 PHE HB3 1 140 LYS H 4.020 . 4.020 3.315 3.280 3.366 . 0 0 "[ . 1]" 1
1584 1 139 PHE H 1 140 LYS H 4.970 . 4.970 4.424 4.336 4.479 . 0 0 "[ . 1]" 1
1585 1 140 LYS HA 1 140 LYS QG . . 3.690 2.452 2.231 2.694 . 0 0 "[ . 1]" 1
1586 1 140 LYS H 1 140 LYS QE 5.500 . 5.500 3.955 3.601 4.204 . 0 0 "[ . 1]" 1
1587 1 140 LYS H 1 140 LYS HB2 3.720 . 3.720 2.937 2.738 3.148 . 0 0 "[ . 1]" 1
1588 1 140 LYS H 1 140 LYS HB3 4.150 . 4.150 2.585 2.377 2.784 . 0 0 "[ . 1]" 1
1589 1 140 LYS H 1 140 LYS QG 4.790 . 4.790 4.095 4.001 4.175 . 0 0 "[ . 1]" 1
1590 1 140 LYS HA 1 141 LYS H 2.990 . 2.990 2.252 2.219 2.292 . 0 0 "[ . 1]" 1
1591 1 140 LYS HA 1 141 LYS QG 5.110 . 5.110 3.661 3.515 3.781 . 0 0 "[ . 1]" 1
1592 1 140 LYS HB3 1 141 LYS H 3.900 . 3.900 3.873 3.631 4.166 0.266 5 0 "[ . 1]" 1
1593 1 140 LYS HB2 1 141 LYS H 4.040 . 4.040 4.005 3.918 4.095 0.055 2 0 "[ . 1]" 1
1594 1 140 LYS QG 1 141 LYS H 3.300 . 3.300 2.308 2.109 2.507 . 0 0 "[ . 1]" 1
1595 1 140 LYS H 1 141 LYS H 4.930 . 4.930 4.500 4.481 4.516 . 0 0 "[ . 1]" 1
1596 1 140 LYS QE 1 142 ASP HA 4.490 . 4.490 3.538 3.178 3.886 . 0 0 "[ . 1]" 1
1597 1 141 LYS HA 1 141 LYS QE 4.990 . 4.990 4.376 3.871 4.749 . 0 0 "[ . 1]" 1
1598 1 141 LYS HA 1 141 LYS HD3 5.020 . 5.020 3.424 2.751 3.928 . 0 0 "[ . 1]" 1
1599 1 141 LYS HA 1 141 LYS HD2 5.500 . 5.500 3.613 2.752 4.496 . 0 0 "[ . 1]" 1
1600 1 141 LYS HA 1 141 LYS QG 3.980 . 3.980 2.727 2.533 2.957 . 0 0 "[ . 1]" 1
1601 1 141 LYS HB3 1 141 LYS QE 4.560 . 4.560 3.516 2.879 3.982 . 0 0 "[ . 1]" 1
1602 1 141 LYS H 1 141 LYS QE . . 5.460 4.304 3.941 4.782 . 0 0 "[ . 1]" 1
1603 1 141 LYS H 1 141 LYS QG 3.640 . 3.640 1.869 1.635 2.080 . 0 0 "[ . 1]" 1
1604 1 141 LYS H 1 141 LYS HB3 3.450 . 3.450 3.606 3.570 3.620 0.170 5 0 "[ . 1]" 1
1605 1 141 LYS H 1 141 LYS HB2 3.530 . 3.530 2.874 2.812 2.985 . 0 0 "[ . 1]" 1
1606 1 141 LYS H 1 141 LYS HD3 4.860 . 4.860 4.033 3.613 4.457 . 0 0 "[ . 1]" 1
1607 1 141 LYS HA 1 142 ASP H 2.780 . 2.780 2.197 2.179 2.211 . 0 0 "[ . 1]" 1
1608 1 141 LYS HA 1 142 ASP HB3 5.390 . 5.390 4.781 4.613 5.051 . 0 0 "[ . 1]" 1
1609 1 141 LYS HA 1 142 ASP HB2 5.120 . 5.120 4.282 4.105 4.389 . 0 0 "[ . 1]" 1
1610 1 141 LYS HA 1 142 ASP HA 4.930 . 4.930 4.350 4.325 4.366 . 0 0 "[ . 1]" 1
1611 1 141 LYS HB2 1 142 ASP H 3.580 . 3.580 3.726 3.674 3.770 0.190 6 0 "[ . 1]" 1
1612 1 141 LYS HB2 1 142 ASP HA 4.440 . 4.440 4.587 4.508 4.623 0.183 1 0 "[ . 1]" 1
1613 1 141 LYS HB3 1 142 ASP H 4.350 . 4.350 2.859 2.719 3.047 . 0 0 "[ . 1]" 1
1614 1 141 LYS HD2 1 142 ASP H 5.430 . 5.430 4.680 3.991 5.457 0.027 4 0 "[ . 1]" 1
1615 1 141 LYS QG 1 142 ASP H 4.180 . 4.180 4.427 4.250 4.617 0.437 8 0 "[ . 1]" 1
1616 1 141 LYS H 1 142 ASP H 4.650 . 4.650 4.598 4.579 4.610 . 0 0 "[ . 1]" 1
1617 1 142 ASP H 1 142 ASP HB3 3.350 . 3.350 2.730 2.583 2.960 . 0 0 "[ . 1]" 1
1618 1 142 ASP H 1 142 ASP HB2 3.390 . 3.390 2.774 2.558 2.905 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 106
_Distance_constraint_stats_list.Viol_count 90
_Distance_constraint_stats_list.Viol_total 32.307
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0128
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0359
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 SER 0.000 0.000 . 0 "[ . 1]"
1 17 TRP 0.000 0.000 . 0 "[ . 1]"
1 18 LYS 0.000 0.000 . 0 "[ . 1]"
1 19 VAL 0.000 0.000 . 0 "[ . 1]"
1 21 ARG 0.000 0.000 . 0 "[ . 1]"
1 23 GLU 0.000 0.000 . 0 "[ . 1]"
1 25 TYR 0.000 0.000 . 0 "[ . 1]"
1 26 ASP 0.000 0.000 . 0 "[ . 1]"
1 27 LYS 0.000 0.000 . 0 "[ . 1]"
1 29 MET 0.000 0.000 . 0 "[ . 1]"
1 30 GLU 0.000 0.000 . 0 "[ . 1]"
1 31 LYS 0.000 0.000 . 0 "[ . 1]"
1 35 ASN 0.000 0.000 . 0 "[ . 1]"
1 36 ILE 0.032 0.032 3 0 "[ . 1]"
1 37 VAL 0.529 0.079 8 0 "[ . 1]"
1 39 ARG 0.000 0.000 . 0 "[ . 1]"
1 40 LYS 0.032 0.032 3 0 "[ . 1]"
1 41 LEU 0.529 0.079 8 0 "[ . 1]"
1 47 LEU 0.000 0.000 . 0 "[ . 1]"
1 48 LYS 0.000 0.000 . 0 "[ . 1]"
1 49 LEU 0.000 0.000 . 0 "[ . 1]"
1 50 THR 0.000 0.000 . 0 "[ . 1]"
1 51 ILE 0.000 0.000 . 0 "[ . 1]"
1 54 GLU 0.000 0.000 . 0 "[ . 1]"
1 57 LYS 0.000 0.000 . 0 "[ . 1]"
1 60 VAL 0.000 0.000 . 0 "[ . 1]"
1 61 LYS 0.000 0.000 . 0 "[ . 1]"
1 62 GLU 0.000 0.000 . 0 "[ . 1]"
1 63 SER 0.000 0.000 . 0 "[ . 1]"
1 69 ILE 0.000 0.000 . 0 "[ . 1]"
1 71 VAL 0.000 0.000 . 0 "[ . 1]"
1 79 PHE 0.617 0.080 5 0 "[ . 1]"
1 81 TYR 0.000 0.000 . 0 "[ . 1]"
1 89 LEU 0.000 0.000 . 0 "[ . 1]"
1 90 ARG 0.246 0.061 8 0 "[ . 1]"
1 91 GLY 0.617 0.080 5 0 "[ . 1]"
1 92 THR 0.000 0.000 . 0 "[ . 1]"
1 94 SER 0.033 0.031 4 0 "[ . 1]"
1 96 GLU 0.000 0.000 . 0 "[ . 1]"
1 99 LYS 0.000 0.000 . 0 "[ . 1]"
1 100 LEU 1.004 0.100 7 0 "[ . 1]"
1 101 ILE 0.033 0.031 4 0 "[ . 1]"
1 102 GLY 0.000 0.000 . 0 "[ . 1]"
1 103 LYS 0.000 0.000 . 0 "[ . 1]"
1 104 PHE 0.068 0.031 2 0 "[ . 1]"
1 105 LYS 0.246 0.061 8 0 "[ . 1]"
1 106 ARG 0.193 0.075 9 0 "[ . 1]"
1 110 GLY 0.193 0.075 9 0 "[ . 1]"
1 113 LEU 0.068 0.031 2 0 "[ . 1]"
1 114 ASN 0.037 0.024 6 0 "[ . 1]"
1 115 THR 0.000 0.000 . 0 "[ . 1]"
1 116 VAL 0.000 0.000 . 0 "[ . 1]"
1 117 ARG 1.004 0.100 7 0 "[ . 1]"
1 118 GLU 0.000 0.000 . 0 "[ . 1]"
1 120 ILE 0.000 0.000 . 0 "[ . 1]"
1 123 GLU 0.000 0.000 . 0 "[ . 1]"
1 124 LEU 0.000 0.000 . 0 "[ . 1]"
1 125 VAL 0.000 0.000 . 0 "[ . 1]"
1 126 GLN 0.443 0.063 2 0 "[ . 1]"
1 127 THR 0.000 0.000 . 0 "[ . 1]"
1 128 TYR 0.000 0.000 . 0 "[ . 1]"
1 129 VAL 0.037 0.024 6 0 "[ . 1]"
1 130 TYR 0.028 0.012 6 0 "[ . 1]"
1 133 VAL 0.028 0.012 6 0 "[ . 1]"
1 135 ALA 0.000 0.000 . 0 "[ . 1]"
1 136 LYS 0.000 0.000 . 0 "[ . 1]"
1 137 ARG 0.443 0.063 2 0 "[ . 1]"
1 138 ILE 0.000 0.000 . 0 "[ . 1]"
1 139 PHE 0.000 0.000 . 0 "[ . 1]"
1 140 LYS 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 TRP H 1 49 LEU O 1.650 . 2.600 2.084 1.954 2.170 . 0 0 "[ . 1]" 2
2 1 17 TRP N 1 49 LEU O 2.650 2.450 3.600 2.783 2.691 2.852 . 0 0 "[ . 1]" 2
3 1 18 LYS H 1 140 LYS O 1.650 . 2.600 1.856 1.728 1.975 . 0 0 "[ . 1]" 2
4 1 18 LYS N 1 140 LYS O 2.650 2.450 3.600 2.675 2.612 2.751 . 0 0 "[ . 1]" 2
5 1 19 VAL H 1 47 LEU O 1.650 . 2.600 2.224 2.029 2.575 . 0 0 "[ . 1]" 2
6 1 19 VAL N 1 47 LEU O 2.650 2.450 3.600 3.104 2.943 3.434 . 0 0 "[ . 1]" 2
7 1 23 GLU H 1 136 LYS O 1.650 . 2.600 1.932 1.818 2.036 . 0 0 "[ . 1]" 2
8 1 23 GLU N 1 136 LYS O 2.650 2.450 3.600 2.831 2.757 2.912 . 0 0 "[ . 1]" 2
9 1 25 TYR O 1 29 MET H 1.650 . 2.600 2.073 1.802 2.555 . 0 0 "[ . 1]" 2
10 1 25 TYR O 1 29 MET N 2.650 2.450 3.600 3.023 2.771 3.441 . 0 0 "[ . 1]" 2
11 1 26 ASP O 1 30 GLU H 1.650 . 2.600 2.109 1.854 2.438 . 0 0 "[ . 1]" 2
12 1 26 ASP O 1 30 GLU N 2.650 2.450 3.600 3.052 2.811 3.415 . 0 0 "[ . 1]" 2
13 1 27 LYS O 1 31 LYS H 1.650 . 2.600 1.872 1.657 2.062 . 0 0 "[ . 1]" 2
14 1 27 LYS O 1 31 LYS N 2.650 2.450 3.600 2.733 2.600 2.873 . 0 0 "[ . 1]" 2
15 1 35 ASN O 1 39 ARG H 1.650 . 2.600 1.821 1.707 1.938 . 0 0 "[ . 1]" 2
16 1 35 ASN O 1 39 ARG N 2.650 2.450 3.600 2.729 2.593 2.841 . 0 0 "[ . 1]" 2
17 1 36 ILE O 1 40 LYS H 1.650 . 2.600 2.418 2.076 2.632 0.032 3 0 "[ . 1]" 2
18 1 36 ILE O 1 40 LYS N 2.650 2.450 3.600 3.078 2.842 3.322 . 0 0 "[ . 1]" 2
19 1 37 VAL O 1 41 LEU H 1.650 . 2.600 2.653 2.608 2.679 0.079 8 0 "[ . 1]" 2
20 1 37 VAL O 1 41 LEU N 2.650 2.450 3.600 3.577 3.535 3.602 0.002 6 0 "[ . 1]" 2
21 1 48 LYS H 1 63 SER O 1.650 . 2.600 2.262 1.974 2.347 . 0 0 "[ . 1]" 2
22 1 48 LYS N 1 63 SER O 2.650 2.450 3.600 3.192 2.922 3.272 . 0 0 "[ . 1]" 2
23 1 17 TRP O 1 49 LEU H 1.650 . 2.600 2.128 1.934 2.332 . 0 0 "[ . 1]" 2
24 1 17 TRP O 1 49 LEU N 2.650 2.450 3.600 2.946 2.747 3.156 . 0 0 "[ . 1]" 2
25 1 15 SER O 1 51 ILE H 1.650 . 2.600 1.704 1.660 1.783 . 0 0 "[ . 1]" 2
26 1 15 SER O 1 51 ILE N 2.650 2.450 3.600 2.675 2.633 2.763 . 0 0 "[ . 1]" 2
27 1 54 GLU H 1 57 LYS O 1.650 . 2.600 2.209 2.068 2.311 . 0 0 "[ . 1]" 2
28 1 54 GLU N 1 57 LYS O 2.650 2.450 3.600 3.185 3.046 3.290 . 0 0 "[ . 1]" 2
29 1 50 THR O 1 61 LYS H 1.650 . 2.600 2.313 2.218 2.415 . 0 0 "[ . 1]" 2
30 1 50 THR O 1 61 LYS N 2.650 2.450 3.600 3.158 3.089 3.196 . 0 0 "[ . 1]" 2
31 1 62 GLU H 1 69 ILE O 1.650 . 2.600 2.238 1.863 2.431 . 0 0 "[ . 1]" 2
32 1 62 GLU N 1 69 ILE O 2.650 2.450 3.600 3.175 2.800 3.389 . 0 0 "[ . 1]" 2
33 1 48 LYS O 1 63 SER H 1.650 . 2.600 2.402 2.331 2.479 . 0 0 "[ . 1]" 2
34 1 48 LYS O 1 63 SER N 2.650 2.450 3.600 3.287 3.226 3.340 . 0 0 "[ . 1]" 2
35 1 62 GLU O 1 69 ILE H 1.650 . 2.600 2.211 1.953 2.356 . 0 0 "[ . 1]" 2
36 1 62 GLU O 1 69 ILE N 2.650 2.450 3.600 3.098 2.880 3.282 . 0 0 "[ . 1]" 2
37 1 60 VAL O 1 71 VAL H 1.650 . 2.600 2.170 1.967 2.294 . 0 0 "[ . 1]" 2
38 1 60 VAL O 1 71 VAL N 2.650 2.450 3.600 3.148 2.947 3.265 . 0 0 "[ . 1]" 2
39 1 79 PHE H 1 91 GLY O 1.650 . 2.600 2.647 2.623 2.680 0.080 5 0 "[ . 1]" 2
40 1 79 PHE N 1 91 GLY O 2.650 2.450 3.600 3.615 3.603 3.635 0.035 2 0 "[ . 1]" 2
41 1 81 TYR H 1 89 LEU O 1.650 . 2.600 1.975 1.879 2.157 . 0 0 "[ . 1]" 2
42 1 81 TYR N 1 89 LEU O 2.650 2.450 3.600 2.941 2.849 3.128 . 0 0 "[ . 1]" 2
43 1 90 ARG H 1 105 LYS O 1.650 . 2.600 2.569 2.491 2.618 0.018 5 0 "[ . 1]" 2
44 1 90 ARG N 1 105 LYS O 2.650 2.450 3.600 3.455 3.387 3.500 . 0 0 "[ . 1]" 2
45 1 79 PHE O 1 91 GLY H 1.650 . 2.600 2.477 2.410 2.533 . 0 0 "[ . 1]" 2
46 1 79 PHE O 1 91 GLY N 2.650 2.450 3.600 3.355 3.289 3.491 . 0 0 "[ . 1]" 2
47 1 92 THR H 1 103 LYS O 1.650 . 2.600 1.988 1.938 2.098 . 0 0 "[ . 1]" 2
48 1 92 THR N 1 103 LYS O 2.650 2.450 3.600 2.846 2.772 2.977 . 0 0 "[ . 1]" 2
49 1 94 SER H 1 101 ILE O 1.650 . 2.600 1.695 1.647 1.787 0.003 3 0 "[ . 1]" 2
50 1 94 SER N 1 101 ILE O 2.650 2.450 3.600 2.634 2.593 2.727 . 0 0 "[ . 1]" 2
51 1 96 GLU H 1 99 LYS O 1.650 . 2.600 1.829 1.720 2.041 . 0 0 "[ . 1]" 2
52 1 96 GLU N 1 99 LYS O 2.650 2.450 3.600 2.756 2.693 2.857 . 0 0 "[ . 1]" 2
53 1 96 GLU O 1 99 LYS H 1.650 . 2.600 1.958 1.803 2.068 . 0 0 "[ . 1]" 2
54 1 96 GLU O 1 99 LYS N 2.650 2.450 3.600 2.916 2.756 3.020 . 0 0 "[ . 1]" 2
55 1 94 SER O 1 101 ILE H 1.650 . 2.600 1.868 1.619 2.083 0.031 4 0 "[ . 1]" 2
56 1 94 SER O 1 101 ILE N 2.650 2.450 3.600 2.754 2.500 2.954 . 0 0 "[ . 1]" 2
57 1 102 GLY H 1 115 THR O 1.650 . 2.600 2.101 1.939 2.249 . 0 0 "[ . 1]" 2
58 1 102 GLY N 1 115 THR O 2.650 2.450 3.600 2.707 2.651 2.789 . 0 0 "[ . 1]" 2
59 1 92 THR O 1 103 LYS H 1.650 . 2.600 1.969 1.865 2.086 . 0 0 "[ . 1]" 2
60 1 92 THR O 1 103 LYS N 2.650 2.450 3.600 2.909 2.816 3.019 . 0 0 "[ . 1]" 2
61 1 104 PHE H 1 113 LEU O 1.650 . 2.600 2.525 2.229 2.631 0.031 2 0 "[ . 1]" 2
62 1 104 PHE N 1 113 LEU O 2.650 2.450 3.600 3.461 3.191 3.571 . 0 0 "[ . 1]" 2
63 1 90 ARG O 1 105 LYS H 1.650 . 2.600 2.581 2.350 2.661 0.061 8 0 "[ . 1]" 2
64 1 90 ARG O 1 105 LYS N 2.650 2.450 3.600 3.487 3.246 3.553 . 0 0 "[ . 1]" 2
65 1 106 ARG O 1 110 GLY H 1.650 . 2.600 2.560 2.360 2.675 0.075 9 0 "[ . 1]" 2
66 1 106 ARG O 1 110 GLY N 2.650 2.450 3.600 3.095 2.994 3.200 . 0 0 "[ . 1]" 2
67 1 104 PHE O 1 113 LEU H 1.650 . 2.600 2.167 1.866 2.366 . 0 0 "[ . 1]" 2
68 1 104 PHE O 1 113 LEU N 2.650 2.450 3.600 3.090 2.833 3.265 . 0 0 "[ . 1]" 2
69 1 114 ASN H 1 129 VAL O 1.650 . 2.600 2.266 2.168 2.356 . 0 0 "[ . 1]" 2
70 1 114 ASN N 1 129 VAL O 2.650 2.450 3.600 3.240 3.140 3.328 . 0 0 "[ . 1]" 2
71 1 102 GLY O 1 115 THR H 1.650 . 2.600 1.744 1.654 1.872 . 0 0 "[ . 1]" 2
72 1 102 GLY O 1 115 THR N 2.650 2.450 3.600 2.660 2.598 2.755 . 0 0 "[ . 1]" 2
73 1 116 VAL H 1 127 THR O 1.650 . 2.600 1.937 1.745 2.171 . 0 0 "[ . 1]" 2
74 1 116 VAL N 1 127 THR O 2.650 2.450 3.600 2.845 2.696 2.990 . 0 0 "[ . 1]" 2
75 1 100 LEU O 1 117 ARG H 1.650 . 2.600 2.687 2.673 2.700 0.100 7 0 "[ . 1]" 2
76 1 100 LEU O 1 117 ARG N 2.650 2.450 3.600 3.613 3.598 3.626 0.026 6 0 "[ . 1]" 2
77 1 118 GLU H 1 125 VAL O 1.650 . 2.600 2.107 1.955 2.240 . 0 0 "[ . 1]" 2
78 1 118 GLU N 1 125 VAL O 2.650 2.450 3.600 3.079 2.923 3.179 . 0 0 "[ . 1]" 2
79 1 120 ILE H 1 123 GLU O 1.650 . 2.600 2.150 2.054 2.351 . 0 0 "[ . 1]" 2
80 1 120 ILE N 1 123 GLU O 2.650 2.450 3.600 3.037 2.936 3.228 . 0 0 "[ . 1]" 2
81 1 124 LEU H 1 139 PHE O 1.650 . 2.600 2.167 2.006 2.338 . 0 0 "[ . 1]" 2
82 1 124 LEU N 1 139 PHE O 2.650 2.450 3.600 3.005 2.825 3.155 . 0 0 "[ . 1]" 2
83 1 118 GLU O 1 125 VAL H 1.650 . 2.600 2.035 1.895 2.206 . 0 0 "[ . 1]" 2
84 1 118 GLU O 1 125 VAL N 2.650 2.450 3.600 2.917 2.789 3.102 . 0 0 "[ . 1]" 2
85 1 126 GLN H 1 137 ARG O 1.650 . 2.600 2.644 2.614 2.663 0.063 2 0 "[ . 1]" 2
86 1 126 GLN N 1 137 ARG O 2.650 2.450 3.600 3.517 3.480 3.552 . 0 0 "[ . 1]" 2
87 1 116 VAL O 1 127 THR H 1.650 . 2.600 2.186 2.008 2.449 . 0 0 "[ . 1]" 2
88 1 116 VAL O 1 127 THR N 2.650 2.450 3.600 3.031 2.905 3.179 . 0 0 "[ . 1]" 2
89 1 128 TYR H 1 135 ALA O 1.650 . 2.600 1.706 1.651 1.785 . 0 0 "[ . 1]" 2
90 1 128 TYR N 1 135 ALA O 2.650 2.450 3.600 2.663 2.633 2.699 . 0 0 "[ . 1]" 2
91 1 114 ASN O 1 129 VAL H 1.650 . 2.600 1.690 1.626 1.785 0.024 6 0 "[ . 1]" 2
92 1 114 ASN O 1 129 VAL N 2.650 2.450 3.600 2.624 2.581 2.693 . 0 0 "[ . 1]" 2
93 1 130 TYR H 1 133 VAL O 1.650 . 2.600 1.795 1.717 1.868 . 0 0 "[ . 1]" 2
94 1 130 TYR N 1 133 VAL O 2.650 2.450 3.600 2.752 2.685 2.825 . 0 0 "[ . 1]" 2
95 1 130 TYR O 1 133 VAL H 1.650 . 2.600 2.343 1.920 2.612 0.012 6 0 "[ . 1]" 2
96 1 130 TYR O 1 133 VAL N 2.650 2.450 3.600 3.084 2.827 3.226 . 0 0 "[ . 1]" 2
97 1 128 TYR O 1 135 ALA H 1.650 . 2.600 1.934 1.844 2.020 . 0 0 "[ . 1]" 2
98 1 128 TYR O 1 135 ALA N 2.650 2.450 3.600 2.805 2.708 2.887 . 0 0 "[ . 1]" 2
99 1 23 GLU O 1 136 LYS H 1.650 . 2.600 2.130 2.031 2.424 . 0 0 "[ . 1]" 2
100 1 23 GLU O 1 136 LYS N 2.650 2.450 3.600 3.071 2.978 3.293 . 0 0 "[ . 1]" 2
101 1 126 GLN O 1 137 ARG H 1.650 . 2.600 2.442 2.368 2.582 . 0 0 "[ . 1]" 2
102 1 126 GLN O 1 137 ARG N 2.650 2.450 3.600 3.373 3.298 3.525 . 0 0 "[ . 1]" 2
103 1 21 ARG O 1 138 ILE H 1.650 . 2.600 2.022 1.861 2.179 . 0 0 "[ . 1]" 2
104 1 21 ARG O 1 138 ILE N 2.650 2.450 3.600 2.842 2.693 2.998 . 0 0 "[ . 1]" 2
105 1 18 LYS O 1 140 LYS H 1.650 . 2.600 2.080 1.944 2.174 . 0 0 "[ . 1]" 2
106 1 18 LYS O 1 140 LYS N 2.650 2.450 3.600 2.896 2.777 3.006 . 0 0 "[ . 1]" 2
stop_
save_
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