NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
618421 |
5mpl   |
34080 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5mpl
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 1878
_Distance_constraint_stats_list.Viol_count 3124
_Distance_constraint_stats_list.Viol_total 2948.100
_Distance_constraint_stats_list.Viol_max 0.770
_Distance_constraint_stats_list.Viol_rms 0.0202
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0472
_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 4 PRO 1.128 0.130 17 0 "[ . 1 . 2]"
1 5 GLY 0.164 0.060 18 0 "[ . 1 . 2]"
1 6 ALA 1.514 0.130 17 0 "[ . 1 . 2]"
1 7 HIS 0.787 0.071 19 0 "[ . 1 . 2]"
1 8 LEU 1.393 0.071 19 0 "[ . 1 . 2]"
1 9 THR 1.448 0.114 7 0 "[ . 1 . 2]"
1 10 VAL 3.614 0.166 12 0 "[ . 1 . 2]"
1 11 LYS 1.820 0.198 12 0 "[ . 1 . 2]"
1 12 LYS 4.600 0.198 12 0 "[ . 1 . 2]"
1 13 ILE 9.890 0.141 4 0 "[ . 1 . 2]"
1 14 PHE 3.074 0.770 9 1 "[ . +1 . 2]"
1 15 VAL 1.966 0.076 7 0 "[ . 1 . 2]"
1 16 GLY 0.918 0.171 19 0 "[ . 1 . 2]"
1 17 GLY 0.274 0.050 13 0 "[ . 1 . 2]"
1 18 ILE 3.146 0.242 16 0 "[ . 1 . 2]"
1 22 THR 1.343 0.145 15 0 "[ . 1 . 2]"
1 23 GLU 2.790 0.155 18 0 "[ . 1 . 2]"
1 24 GLU 1.540 0.083 17 0 "[ . 1 . 2]"
1 25 HIS 2.938 0.155 18 0 "[ . 1 . 2]"
1 26 HIS 2.125 0.090 4 0 "[ . 1 . 2]"
1 27 LEU 4.743 0.163 10 0 "[ . 1 . 2]"
1 28 ARG 10.525 0.455 5 0 "[ . 1 . 2]"
1 29 ASP 0.799 0.103 7 0 "[ . 1 . 2]"
1 30 TYR 1.863 0.117 18 0 "[ . 1 . 2]"
1 31 PHE 3.408 0.116 10 0 "[ . 1 . 2]"
1 32 GLU 3.265 0.116 10 0 "[ . 1 . 2]"
1 33 GLN 3.632 0.116 10 0 "[ . 1 . 2]"
1 34 TYR 5.149 0.221 9 0 "[ . 1 . 2]"
1 35 GLY 0.126 0.042 14 0 "[ . 1 . 2]"
1 36 LYS 5.176 0.201 11 0 "[ . 1 . 2]"
1 37 ILE 3.655 0.145 6 0 "[ . 1 . 2]"
1 38 GLU 8.840 0.613 9 5 "[ . +1* . -**]"
1 39 VAL 0.574 0.143 17 0 "[ . 1 . 2]"
1 40 ILE 11.058 0.455 5 0 "[ . 1 . 2]"
1 41 GLU 0.637 0.096 20 0 "[ . 1 . 2]"
1 42 ILE 1.815 0.116 16 0 "[ . 1 . 2]"
1 43 MET 2.955 0.129 17 0 "[ . 1 . 2]"
1 44 THR 2.083 0.112 13 0 "[ . 1 . 2]"
1 45 ASP 1.306 0.207 2 0 "[ . 1 . 2]"
1 46 ARG 4.163 0.176 11 0 "[ . 1 . 2]"
1 47 GLY 0.342 0.060 17 0 "[ . 1 . 2]"
1 48 SER 2.512 0.162 14 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 3.767 0.207 2 0 "[ . 1 . 2]"
1 51 LYS 0.716 0.151 7 0 "[ . 1 . 2]"
1 52 ARG 2.456 0.272 7 0 "[ . 1 . 2]"
1 53 GLY 0.073 0.073 8 0 "[ . 1 . 2]"
1 54 PHE 1.849 0.143 13 0 "[ . 1 . 2]"
1 55 ALA 2.079 0.109 5 0 "[ . 1 . 2]"
1 56 PHE 3.142 0.134 10 0 "[ . 1 . 2]"
1 57 VAL 4.812 0.105 12 0 "[ . 1 . 2]"
1 58 THR 6.657 0.418 11 0 "[ . 1 . 2]"
1 59 PHE 3.694 0.116 10 0 "[ . 1 . 2]"
1 60 ASP 1.495 0.131 11 0 "[ . 1 . 2]"
1 61 ASP 5.656 0.613 9 5 "[ . +1* . -**]"
1 62 HIS 2.129 0.098 1 0 "[ . 1 . 2]"
1 63 ASP 0.506 0.170 18 0 "[ . 1 . 2]"
1 64 SER 1.215 0.129 18 0 "[ . 1 . 2]"
1 65 VAL 2.145 0.127 8 0 "[ . 1 . 2]"
1 66 ASP 1.194 0.135 9 0 "[ . 1 . 2]"
1 67 LYS 5.689 0.221 9 0 "[ . 1 . 2]"
1 68 ILE 2.115 0.096 3 0 "[ . 1 . 2]"
1 69 VAL 4.293 0.166 12 0 "[ . 1 . 2]"
1 70 ILE 3.868 0.148 6 0 "[ . 1 . 2]"
1 71 GLN 2.776 0.148 6 0 "[ . 1 . 2]"
1 72 LYS 5.783 0.143 13 0 "[ . 1 . 2]"
1 73 TYR 3.602 0.136 7 0 "[ . 1 . 2]"
1 74 HIS 4.597 0.229 8 0 "[ . 1 . 2]"
1 75 THR 1.492 0.159 6 0 "[ . 1 . 2]"
1 76 VAL 2.222 0.117 18 0 "[ . 1 . 2]"
1 77 ASN 0.975 0.090 6 0 "[ . 1 . 2]"
1 78 GLY 0.030 0.030 14 0 "[ . 1 . 2]"
1 79 HIS 0.286 0.082 14 0 "[ . 1 . 2]"
1 80 ASN 0.315 0.051 11 0 "[ . 1 . 2]"
1 81 CYS 0.233 0.038 7 0 "[ . 1 . 2]"
1 82 GLU 4.193 0.136 7 0 "[ . 1 . 2]"
1 83 VAL 5.282 0.229 8 0 "[ . 1 . 2]"
1 84 ARG 2.319 0.770 9 1 "[ . +1 . 2]"
1 85 LYS 3.126 0.099 4 0 "[ . 1 . 2]"
1 86 ALA 2.168 0.132 3 0 "[ . 1 . 2]"
1 87 LEU 2.822 0.113 6 0 "[ . 1 . 2]"
1 88 SER 0.206 0.054 14 0 "[ . 1 . 2]"
1 89 LYS 4.631 0.182 12 0 "[ . 1 . 2]"
1 90 GLN 0.289 0.089 19 0 "[ . 1 . 2]"
1 91 GLU 5.600 0.383 10 0 "[ . 1 . 2]"
1 92 MET 0.925 0.094 6 0 "[ . 1 . 2]"
1 93 ALA 0.944 0.080 19 0 "[ . 1 . 2]"
1 94 SER 5.087 0.383 10 0 "[ . 1 . 2]"
1 95 ALA 1.709 0.161 4 0 "[ . 1 . 2]"
1 96 SER 1.517 0.161 4 0 "[ . 1 . 2]"
1 101 GLY 0.193 0.095 10 0 "[ . 1 . 2]"
1 102 ARG 0.193 0.095 10 0 "[ . 1 . 2]"
2 1 U 3.481 0.242 16 0 "[ . 1 . 2]"
2 2 C 6.568 0.217 2 0 "[ . 1 . 2]"
2 3 A 3.800 0.113 6 0 "[ . 1 . 2]"
2 4 G 6.932 0.182 12 0 "[ . 1 . 2]"
2 5 U 6.036 0.171 12 0 "[ . 1 . 2]"
2 6 U 0.164 0.044 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 PRO HA 1 6 ALA H 5.330 . 5.490 4.594 3.589 5.481 . 0 0 "[ . 1 . 2]" 1
2 1 4 PRO HA 1 6 ALA MB 5.500 . 5.660 5.264 4.359 5.790 0.130 17 0 "[ . 1 . 2]" 1
3 1 4 PRO HA 1 5 GLY QA 4.560 . 4.700 4.060 3.858 4.327 . 0 0 "[ . 1 . 2]" 1
4 1 4 PRO QB 1 87 LEU QD 3.310 . 3.410 2.158 1.728 3.240 0.072 10 0 "[ . 1 . 2]" 1
5 1 4 PRO QB 1 5 GLY QA 4.790 . 4.930 3.803 3.402 4.328 . 0 0 "[ . 1 . 2]" 1
6 1 4 PRO QD 1 85 LYS QD 3.120 . 3.210 2.917 2.052 3.289 0.079 18 0 "[ . 1 . 2]" 1
7 1 4 PRO QD 1 87 LEU QD 4.790 . 4.930 3.579 2.279 4.290 . 0 0 "[ . 1 . 2]" 1
8 1 4 PRO QG 1 87 LEU QD 3.370 . 3.470 2.300 1.768 3.496 0.032 20 0 "[ . 1 . 2]" 1
9 1 5 GLY QA 1 6 ALA HA 4.660 . 4.800 4.090 3.984 4.152 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLY QA 1 8 LEU HG 4.060 . 4.180 2.886 2.435 4.229 0.049 18 0 "[ . 1 . 2]" 1
11 1 5 GLY QA 1 8 LEU MD1 5.120 . 5.270 2.130 1.764 3.887 0.036 3 0 "[ . 1 . 2]" 1
12 1 5 GLY QA 1 8 LEU MD2 4.350 . 4.480 4.078 3.771 4.540 0.060 18 0 "[ . 1 . 2]" 1
13 1 6 ALA H 1 6 ALA MB 3.110 . 3.200 2.261 2.231 2.316 . 0 0 "[ . 1 . 2]" 1
14 1 6 ALA H 1 85 LYS QD 5.340 . 5.500 4.448 3.758 5.152 . 0 0 "[ . 1 . 2]" 1
15 1 6 ALA HA 1 7 HIS HA 4.750 . 4.890 4.646 4.288 4.754 . 0 0 "[ . 1 . 2]" 1
16 1 6 ALA HA 1 8 LEU H 5.420 . 5.580 3.556 3.251 3.837 . 0 0 "[ . 1 . 2]" 1
17 1 6 ALA HA 1 8 LEU HG 5.500 . 5.660 5.546 4.191 5.713 0.053 3 0 "[ . 1 . 2]" 1
18 1 6 ALA HA 1 8 LEU MD1 5.500 . 5.660 5.628 4.685 5.728 0.068 3 0 "[ . 1 . 2]" 1
19 1 6 ALA HA 1 85 LYS QD 4.990 . 5.140 3.360 2.628 5.030 . 0 0 "[ . 1 . 2]" 1
20 1 6 ALA MB 1 7 HIS HA 3.970 . 4.090 3.983 3.869 4.138 0.048 18 0 "[ . 1 . 2]" 1
21 1 6 ALA MB 1 85 LYS QD 4.150 . 4.270 3.682 2.651 4.311 0.041 14 0 "[ . 1 . 2]" 1
22 1 6 ALA MB 1 85 LYS QG 4.910 . 5.060 4.631 3.118 5.107 0.047 8 0 "[ . 1 . 2]" 1
23 1 7 HIS HA 1 7 HIS HD2 4.470 . 4.600 4.461 4.171 4.667 0.067 3 0 "[ . 1 . 2]" 1
24 1 7 HIS HA 1 7 HIS QB 2.500 . 2.570 2.187 2.181 2.190 . 0 0 "[ . 1 . 2]" 1
25 1 7 HIS HA 1 8 LEU HA 4.680 . 4.820 4.601 4.491 4.719 . 0 0 "[ . 1 . 2]" 1
26 1 7 HIS HD2 1 8 LEU HG 3.990 . 4.110 3.304 2.872 3.964 . 0 0 "[ . 1 . 2]" 1
27 1 7 HIS HD2 1 8 LEU MD1 4.890 . 5.040 4.298 3.796 5.017 . 0 0 "[ . 1 . 2]" 1
28 1 7 HIS HD2 1 8 LEU MD2 3.980 . 4.100 3.378 2.439 4.171 0.071 19 0 "[ . 1 . 2]" 1
29 1 7 HIS HE1 1 8 LEU HG 4.600 . 4.740 3.983 3.536 4.656 . 0 0 "[ . 1 . 2]" 1
30 1 7 HIS HE1 1 8 LEU MD2 4.390 . 4.520 3.580 2.665 4.553 0.033 15 0 "[ . 1 . 2]" 1
31 1 8 LEU H 1 8 LEU HB3 3.880 . 4.000 3.685 3.602 3.828 . 0 0 "[ . 1 . 2]" 1
32 1 8 LEU H 1 8 LEU HG 3.780 . 3.890 2.620 2.326 3.004 . 0 0 "[ . 1 . 2]" 1
33 1 8 LEU H 1 8 LEU MD1 4.480 . 4.610 3.787 3.631 4.021 . 0 0 "[ . 1 . 2]" 1
34 1 8 LEU H 1 8 LEU MD2 4.340 . 4.470 3.586 3.355 3.880 . 0 0 "[ . 1 . 2]" 1
35 1 8 LEU H 1 9 THR H 5.220 . 5.380 4.427 4.024 4.596 . 0 0 "[ . 1 . 2]" 1
36 1 8 LEU HA 1 8 LEU HB3 2.820 . 2.900 2.444 2.405 2.476 . 0 0 "[ . 1 . 2]" 1
37 1 8 LEU HA 1 8 LEU HG 3.330 . 3.430 3.139 3.089 3.250 . 0 0 "[ . 1 . 2]" 1
38 1 8 LEU HA 1 8 LEU MD2 3.030 . 3.120 2.102 2.012 2.239 . 0 0 "[ . 1 . 2]" 1
39 1 8 LEU HB3 1 8 LEU MD2 2.610 . 2.690 2.344 2.303 2.377 . 0 0 "[ . 1 . 2]" 1
40 1 8 LEU HB3 1 9 THR H 3.830 . 3.940 2.941 1.891 3.701 . 0 0 "[ . 1 . 2]" 1
41 1 8 LEU HB3 1 10 VAL QG 5.440 . 5.600 4.448 2.990 5.219 . 0 0 "[ . 1 . 2]" 1
42 1 8 LEU HG 1 9 THR H 5.220 . 5.380 5.022 4.381 5.229 . 0 0 "[ . 1 . 2]" 1
43 1 8 LEU MD2 1 9 THR H 3.740 . 3.850 3.656 3.426 3.881 0.031 18 0 "[ . 1 . 2]" 1
44 1 9 THR H 1 9 THR HB 3.760 . 3.870 3.399 2.679 3.683 . 0 0 "[ . 1 . 2]" 1
45 1 9 THR H 1 10 VAL H 4.730 . 4.870 4.216 2.370 4.580 . 0 0 "[ . 1 . 2]" 1
46 1 9 THR HB 1 10 VAL H 3.690 . 3.800 3.697 2.444 3.914 0.114 7 0 "[ . 1 . 2]" 1
47 1 9 THR HB 1 10 VAL HA 4.970 . 5.120 4.690 4.418 4.876 . 0 0 "[ . 1 . 2]" 1
48 1 9 THR HB 1 10 VAL QG 5.440 . 5.600 4.918 4.684 5.119 . 0 0 "[ . 1 . 2]" 1
49 1 9 THR HB 1 11 LYS HG3 5.500 . 5.660 4.520 3.957 5.330 . 0 0 "[ . 1 . 2]" 1
50 1 9 THR HB 1 62 HIS HB2 4.200 . 4.330 3.184 2.085 4.179 . 0 0 "[ . 1 . 2]" 1
51 1 9 THR HB 1 62 HIS HE1 4.970 . 5.120 4.415 3.449 5.161 0.041 13 0 "[ . 1 . 2]" 1
52 1 9 THR HB 1 62 HIS QB 3.500 . 3.600 2.870 2.050 3.683 0.083 19 0 "[ . 1 . 2]" 1
53 1 9 THR MG 1 62 HIS HB2 4.360 . 4.490 2.952 1.781 3.874 0.019 11 0 "[ . 1 . 2]" 1
54 1 9 THR MG 1 62 HIS HD2 3.800 . 3.910 3.417 2.897 3.941 0.031 9 0 "[ . 1 . 2]" 1
55 1 9 THR MG 1 62 HIS HE1 3.510 . 3.620 3.514 2.790 3.684 0.064 16 0 "[ . 1 . 2]" 1
56 1 9 THR MG 1 62 HIS QB 3.730 . 3.840 2.830 1.767 3.540 0.033 11 0 "[ . 1 . 2]" 1
57 1 10 VAL H 1 11 LYS H 4.560 . 4.700 4.393 2.245 4.580 . 0 0 "[ . 1 . 2]" 1
58 1 10 VAL H 1 11 LYS QE 4.900 . 5.050 4.539 3.762 5.127 0.077 3 0 "[ . 1 . 2]" 1
59 1 10 VAL H 1 12 LYS H 5.500 . 5.660 5.402 4.365 5.680 0.020 8 0 "[ . 1 . 2]" 1
60 1 10 VAL HA 1 10 VAL MG1 3.200 . 3.300 2.904 2.264 3.222 . 0 0 "[ . 1 . 2]" 1
61 1 10 VAL HA 1 10 VAL MG2 3.200 . 3.300 2.412 2.156 3.210 . 0 0 "[ . 1 . 2]" 1
62 1 10 VAL HA 1 10 VAL QG 2.670 . 2.750 2.227 2.119 2.393 . 0 0 "[ . 1 . 2]" 1
63 1 10 VAL HA 1 12 LYS H 4.070 . 4.190 3.804 3.571 4.090 . 0 0 "[ . 1 . 2]" 1
64 1 10 VAL HA 1 62 HIS QB 5.340 . 5.500 4.341 4.045 5.158 . 0 0 "[ . 1 . 2]" 1
65 1 10 VAL HA 1 85 LYS QB 5.340 . 5.500 5.226 4.954 5.501 0.001 1 0 "[ . 1 . 2]" 1
66 1 10 VAL HB 1 11 LYS QE 5.440 . 5.600 5.383 4.518 5.682 0.082 1 0 "[ . 1 . 2]" 1
67 1 10 VAL HB 1 62 HIS QB 5.340 . 5.500 5.265 4.717 5.553 0.053 16 0 "[ . 1 . 2]" 1
68 1 10 VAL HB 1 65 VAL QG 5.440 . 5.600 3.590 2.132 4.446 . 0 0 "[ . 1 . 2]" 1
69 1 10 VAL HB 1 69 VAL MG1 4.950 . 5.100 4.321 3.014 5.126 0.026 4 0 "[ . 1 . 2]" 1
70 1 10 VAL HB 1 85 LYS HA 5.170 . 5.330 4.670 3.948 5.177 . 0 0 "[ . 1 . 2]" 1
71 1 10 VAL HB 1 85 LYS QB 3.890 . 4.010 3.274 2.822 3.898 . 0 0 "[ . 1 . 2]" 1
72 1 10 VAL HB 1 85 LYS QG 4.560 . 4.700 4.008 2.943 4.730 0.030 1 0 "[ . 1 . 2]" 1
73 1 10 VAL HB 1 86 ALA H 5.500 . 5.660 4.860 4.120 5.262 . 0 0 "[ . 1 . 2]" 1
74 1 10 VAL MG1 1 69 VAL MG1 3.830 . 3.940 2.910 2.119 4.025 0.085 14 0 "[ . 1 . 2]" 1
75 1 10 VAL MG1 1 85 LYS HA 4.070 . 4.190 3.062 2.429 3.855 . 0 0 "[ . 1 . 2]" 1
76 1 10 VAL MG1 1 85 LYS HB2 4.860 . 5.010 3.602 1.901 4.277 . 0 0 "[ . 1 . 2]" 1
77 1 10 VAL MG1 1 86 ALA H 4.030 . 4.150 3.369 2.400 4.167 0.017 15 0 "[ . 1 . 2]" 1
78 1 10 VAL MG2 1 69 VAL MG1 3.830 . 3.940 3.680 2.320 4.106 0.166 12 0 "[ . 1 . 2]" 1
79 1 10 VAL MG2 1 85 LYS HA 4.070 . 4.190 3.279 2.570 3.813 . 0 0 "[ . 1 . 2]" 1
80 1 10 VAL MG2 1 85 LYS HB2 4.860 . 5.010 3.462 2.095 4.090 . 0 0 "[ . 1 . 2]" 1
81 1 10 VAL MG2 1 86 ALA H 4.030 . 4.150 3.105 2.384 4.196 0.046 8 0 "[ . 1 . 2]" 1
82 1 10 VAL QG 1 11 LYS QE 4.410 . 4.540 4.068 3.350 4.529 . 0 0 "[ . 1 . 2]" 1
83 1 10 VAL QG 1 12 LYS H 3.650 . 3.760 1.823 1.730 2.273 0.069 12 0 "[ . 1 . 2]" 1
84 1 10 VAL QG 1 12 LYS HA 4.330 . 4.460 4.007 3.874 4.305 . 0 0 "[ . 1 . 2]" 1
85 1 10 VAL QG 1 12 LYS HB3 3.880 . 4.000 3.367 2.838 4.073 0.073 14 0 "[ . 1 . 2]" 1
86 1 10 VAL QG 1 65 VAL HB 5.440 . 5.600 3.381 2.623 4.491 . 0 0 "[ . 1 . 2]" 1
87 1 10 VAL QG 1 65 VAL QG 3.380 . 3.480 2.085 1.729 2.971 0.071 2 0 "[ . 1 . 2]" 1
88 1 10 VAL QG 1 69 VAL MG1 3.010 . 3.100 2.654 2.099 3.195 0.095 9 0 "[ . 1 . 2]" 1
89 1 10 VAL QG 1 85 LYS HA 3.450 . 3.550 2.762 2.364 3.122 . 0 0 "[ . 1 . 2]" 1
90 1 10 VAL QG 1 85 LYS QB 2.690 . 2.770 1.954 1.701 2.299 0.099 4 0 "[ . 1 . 2]" 1
91 1 10 VAL QG 1 85 LYS QG 3.150 . 3.240 2.546 1.843 3.337 0.097 4 0 "[ . 1 . 2]" 1
92 1 10 VAL QG 1 86 ALA H 3.080 . 3.170 2.580 2.325 2.867 . 0 0 "[ . 1 . 2]" 1
93 1 11 LYS H 1 12 LYS H 3.110 . 3.200 2.181 1.984 2.650 . 0 0 "[ . 1 . 2]" 1
94 1 11 LYS QE 1 11 LYS HG3 3.060 . 3.150 2.330 2.270 2.409 . 0 0 "[ . 1 . 2]" 1
95 1 11 LYS HG3 1 61 ASP HA 4.630 . 4.770 4.614 3.846 4.865 0.095 11 0 "[ . 1 . 2]" 1
96 1 11 LYS HG3 1 62 HIS HA 3.770 . 3.880 2.941 2.525 3.471 . 0 0 "[ . 1 . 2]" 1
97 1 11 LYS HG3 1 62 HIS HB2 4.560 . 4.700 3.411 2.964 4.361 . 0 0 "[ . 1 . 2]" 1
98 1 11 LYS HG3 1 62 HIS QB 3.980 . 4.100 1.951 1.760 2.712 0.040 5 0 "[ . 1 . 2]" 1
99 1 11 LYS HG3 1 65 VAL QG 4.340 . 4.470 3.588 3.214 3.965 . 0 0 "[ . 1 . 2]" 1
100 1 11 LYS QB 1 11 LYS QE 3.520 . 3.630 2.125 1.796 3.713 0.083 9 0 "[ . 1 . 2]" 1
101 1 11 LYS QB 1 58 THR MG 3.470 . 3.570 3.388 3.081 3.585 0.015 11 0 "[ . 1 . 2]" 1
102 1 11 LYS QB 1 59 PHE H 3.690 . 3.800 3.384 3.118 3.689 . 0 0 "[ . 1 . 2]" 1
103 1 11 LYS QB 1 59 PHE HB3 5.430 . 5.590 5.035 4.610 5.303 . 0 0 "[ . 1 . 2]" 1
104 1 11 LYS QB 1 59 PHE QD 5.460 . 5.620 4.783 4.431 5.107 . 0 0 "[ . 1 . 2]" 1
105 1 11 LYS QB 1 60 ASP H 5.500 . 5.660 5.463 5.071 5.718 0.058 11 0 "[ . 1 . 2]" 1
106 1 11 LYS QB 1 60 ASP HA 4.830 . 4.970 4.511 4.088 4.841 . 0 0 "[ . 1 . 2]" 1
107 1 11 LYS QB 1 61 ASP H 5.060 . 5.210 4.724 4.246 5.135 . 0 0 "[ . 1 . 2]" 1
108 1 11 LYS QB 1 61 ASP HA 5.330 . 5.490 5.004 4.477 5.506 0.016 18 0 "[ . 1 . 2]" 1
109 1 11 LYS QE 1 12 LYS H 4.820 . 4.960 4.700 3.983 5.158 0.198 12 0 "[ . 1 . 2]" 1
110 1 11 LYS QE 1 62 HIS H 5.440 . 5.600 5.057 3.939 5.615 0.015 10 0 "[ . 1 . 2]" 1
111 1 12 LYS H 1 12 LYS HB3 3.180 . 3.280 2.818 2.663 2.985 . 0 0 "[ . 1 . 2]" 1
112 1 12 LYS H 1 13 ILE H 4.360 . 4.490 4.261 4.146 4.372 . 0 0 "[ . 1 . 2]" 1
113 1 12 LYS H 1 13 ILE MG 4.200 . 4.330 4.207 4.004 4.410 0.080 9 0 "[ . 1 . 2]" 1
114 1 12 LYS H 1 59 PHE H 4.540 . 4.680 4.600 4.404 4.731 0.051 11 0 "[ . 1 . 2]" 1
115 1 12 LYS H 1 85 LYS HA 5.430 . 5.590 5.468 5.270 5.638 0.048 9 0 "[ . 1 . 2]" 1
116 1 12 LYS H 1 86 ALA H 4.620 . 4.760 4.406 4.248 4.608 . 0 0 "[ . 1 . 2]" 1
117 1 12 LYS HA 1 12 LYS HD3 5.130 . 5.280 3.945 3.773 4.410 . 0 0 "[ . 1 . 2]" 1
118 1 12 LYS HA 1 12 LYS HG3 3.430 . 3.530 2.494 2.451 2.563 . 0 0 "[ . 1 . 2]" 1
119 1 12 LYS HA 1 12 LYS QE 5.160 . 5.310 4.514 4.358 5.055 . 0 0 "[ . 1 . 2]" 1
120 1 12 LYS HA 1 13 ILE HA 4.630 . 4.770 4.361 4.330 4.375 . 0 0 "[ . 1 . 2]" 1
121 1 12 LYS HA 1 13 ILE HG12 5.500 . 5.660 4.367 4.094 4.999 . 0 0 "[ . 1 . 2]" 1
122 1 12 LYS HA 1 13 ILE HG13 5.500 . 5.660 4.786 4.057 5.070 . 0 0 "[ . 1 . 2]" 1
123 1 12 LYS HA 1 13 ILE MG 4.080 . 4.200 3.453 3.373 3.522 . 0 0 "[ . 1 . 2]" 1
124 1 12 LYS HA 1 57 VAL HB 4.990 . 5.140 4.667 4.502 4.819 . 0 0 "[ . 1 . 2]" 1
125 1 12 LYS HA 1 58 THR H 4.790 . 4.930 4.641 4.510 4.834 . 0 0 "[ . 1 . 2]" 1
126 1 12 LYS HA 1 58 THR HA 3.090 . 3.180 2.306 2.112 2.532 . 0 0 "[ . 1 . 2]" 1
127 1 12 LYS HA 1 58 THR HB 5.500 . 5.660 5.317 5.059 5.552 . 0 0 "[ . 1 . 2]" 1
128 1 12 LYS HA 1 58 THR MG 4.230 . 4.360 3.775 3.536 4.136 . 0 0 "[ . 1 . 2]" 1
129 1 12 LYS HA 1 59 PHE QD 3.940 . 4.060 2.775 2.433 3.116 . 0 0 "[ . 1 . 2]" 1
130 1 12 LYS HA 1 59 PHE QE 4.720 . 4.860 3.997 3.692 4.370 . 0 0 "[ . 1 . 2]" 1
131 1 12 LYS HA 1 65 VAL QG 4.220 . 4.350 3.431 3.215 3.697 . 0 0 "[ . 1 . 2]" 1
132 1 12 LYS HA 1 86 ALA H 5.310 . 5.470 5.243 5.081 5.349 . 0 0 "[ . 1 . 2]" 1
133 1 12 LYS HA 1 86 ALA MB 4.250 . 4.380 4.102 3.992 4.212 . 0 0 "[ . 1 . 2]" 1
134 1 12 LYS HB3 1 12 LYS HD3 3.580 . 3.690 3.308 2.685 3.454 . 0 0 "[ . 1 . 2]" 1
135 1 12 LYS HB3 1 12 LYS QE 4.070 . 4.190 2.398 2.129 3.809 . 0 0 "[ . 1 . 2]" 1
136 1 12 LYS HB3 1 58 THR HA 4.490 . 4.620 4.097 3.887 4.346 . 0 0 "[ . 1 . 2]" 1
137 1 12 LYS HB3 1 65 VAL QG 5.440 . 5.600 4.924 4.557 5.273 . 0 0 "[ . 1 . 2]" 1
138 1 12 LYS HB3 1 86 ALA MB 3.130 . 3.220 2.664 2.440 2.765 . 0 0 "[ . 1 . 2]" 1
139 1 12 LYS HD3 1 58 THR HA 5.500 . 5.660 3.041 2.706 4.662 . 0 0 "[ . 1 . 2]" 1
140 1 12 LYS HD3 1 58 THR MG 3.750 . 3.860 2.965 2.554 3.890 0.030 14 0 "[ . 1 . 2]" 1
141 1 12 LYS HD3 1 86 ALA MB 5.000 . 5.150 4.476 3.788 4.638 . 0 0 "[ . 1 . 2]" 1
142 1 12 LYS HG3 1 56 PHE HA 4.900 . 5.050 4.091 3.939 4.320 . 0 0 "[ . 1 . 2]" 1
143 1 12 LYS HG3 1 56 PHE HB3 5.180 . 5.340 2.766 2.435 2.933 . 0 0 "[ . 1 . 2]" 1
144 1 12 LYS HG3 1 58 THR HA 3.830 . 3.940 2.870 2.609 3.259 . 0 0 "[ . 1 . 2]" 1
145 1 12 LYS HG3 1 58 THR HB 5.500 . 5.660 5.082 4.933 5.257 . 0 0 "[ . 1 . 2]" 1
146 1 12 LYS HG3 1 86 ALA MB 3.230 . 3.330 3.328 3.081 3.366 0.036 9 0 "[ . 1 . 2]" 1
147 1 12 LYS QE 1 58 THR H 5.500 . 5.660 5.652 5.197 5.717 0.057 18 0 "[ . 1 . 2]" 1
148 1 12 LYS QE 1 58 THR HA 4.940 . 5.090 4.540 4.302 5.066 . 0 0 "[ . 1 . 2]" 1
149 1 12 LYS QE 1 58 THR HB 5.500 . 5.660 5.703 5.614 5.773 0.113 20 0 "[ . 1 . 2]" 1
150 1 12 LYS QE 1 58 THR MG 5.040 . 5.190 3.913 3.505 4.954 . 0 0 "[ . 1 . 2]" 1
151 1 12 LYS QE 1 86 ALA MB 3.210 . 3.310 2.974 2.649 3.262 . 0 0 "[ . 1 . 2]" 1
152 1 13 ILE H 1 13 ILE HB 3.820 . 3.930 3.749 3.720 3.790 . 0 0 "[ . 1 . 2]" 1
153 1 13 ILE H 1 13 ILE MD 4.060 . 4.180 3.896 3.642 4.028 . 0 0 "[ . 1 . 2]" 1
154 1 13 ILE H 1 13 ILE MG 3.070 . 3.160 2.520 2.411 2.568 . 0 0 "[ . 1 . 2]" 1
155 1 13 ILE H 1 14 PHE H 4.700 . 4.840 4.510 4.497 4.520 . 0 0 "[ . 1 . 2]" 1
156 1 13 ILE H 1 56 PHE HB3 4.670 . 4.810 4.490 4.236 4.680 . 0 0 "[ . 1 . 2]" 1
157 1 13 ILE H 1 57 VAL H 3.230 . 3.330 2.877 2.716 3.110 . 0 0 "[ . 1 . 2]" 1
158 1 13 ILE H 1 57 VAL HA 4.720 . 4.860 4.684 4.612 4.775 . 0 0 "[ . 1 . 2]" 1
159 1 13 ILE H 1 57 VAL MG2 4.540 . 4.680 4.376 4.201 4.513 . 0 0 "[ . 1 . 2]" 1
160 1 13 ILE H 1 58 THR H 5.010 . 5.160 4.911 4.844 5.044 . 0 0 "[ . 1 . 2]" 1
161 1 13 ILE H 1 85 LYS HA 5.500 . 5.660 5.604 5.104 5.736 0.076 13 0 "[ . 1 . 2]" 1
162 1 13 ILE H 1 86 ALA H 4.570 . 4.710 4.499 4.323 4.644 . 0 0 "[ . 1 . 2]" 1
163 1 13 ILE H 1 86 ALA MB 3.560 . 3.670 3.576 3.401 3.714 0.044 17 0 "[ . 1 . 2]" 1
164 1 13 ILE HA 1 13 ILE MD 3.830 . 3.940 3.999 3.718 4.081 0.141 4 0 "[ . 1 . 2]" 1
165 1 13 ILE HA 1 13 ILE MG 2.910 . 3.000 2.404 2.373 2.447 . 0 0 "[ . 1 . 2]" 1
166 1 13 ILE HA 1 14 PHE H 2.650 . 2.730 2.335 2.284 2.380 . 0 0 "[ . 1 . 2]" 1
167 1 13 ILE HA 1 14 PHE HB2 4.740 . 4.880 4.517 4.395 4.604 . 0 0 "[ . 1 . 2]" 1
168 1 13 ILE HA 1 15 VAL QG 5.440 . 5.600 5.201 5.097 5.398 . 0 0 "[ . 1 . 2]" 1
169 1 13 ILE HA 1 68 ILE MG 5.030 . 5.180 4.998 4.768 5.147 . 0 0 "[ . 1 . 2]" 1
170 1 13 ILE HA 1 69 VAL MG1 4.430 . 4.560 3.435 3.134 3.775 . 0 0 "[ . 1 . 2]" 1
171 1 13 ILE HA 1 83 VAL QG 4.990 . 5.140 4.471 3.878 5.154 0.014 5 0 "[ . 1 . 2]" 1
172 1 13 ILE HA 1 85 LYS HA 3.420 . 3.520 2.806 2.219 2.936 . 0 0 "[ . 1 . 2]" 1
173 1 13 ILE HA 1 85 LYS QG 5.340 . 5.500 4.981 4.652 5.492 . 0 0 "[ . 1 . 2]" 1
174 1 13 ILE HA 1 86 ALA H 2.900 . 2.990 2.162 2.042 2.433 . 0 0 "[ . 1 . 2]" 1
175 1 13 ILE HA 1 86 ALA MB 3.790 . 3.900 2.785 2.647 3.034 . 0 0 "[ . 1 . 2]" 1
176 1 13 ILE HB 1 13 ILE MD 3.310 . 3.410 2.215 2.186 2.252 . 0 0 "[ . 1 . 2]" 1
177 1 13 ILE HB 1 14 PHE H 3.030 . 3.120 2.468 2.320 2.653 . 0 0 "[ . 1 . 2]" 1
178 1 13 ILE HB 1 15 VAL QG 4.830 . 4.970 3.980 3.813 4.270 . 0 0 "[ . 1 . 2]" 1
179 1 13 ILE HB 1 57 VAL HB 5.210 . 5.370 4.634 4.528 4.805 . 0 0 "[ . 1 . 2]" 1
180 1 13 ILE HB 1 59 PHE HZ 5.500 . 5.660 5.668 5.443 5.707 0.047 12 0 "[ . 1 . 2]" 1
181 1 13 ILE HB 1 59 PHE QE 4.680 . 4.820 4.097 3.958 4.160 . 0 0 "[ . 1 . 2]" 1
182 1 13 ILE HB 1 68 ILE MG 3.860 . 3.980 3.206 2.890 3.361 . 0 0 "[ . 1 . 2]" 1
183 1 13 ILE HB 1 69 VAL H 5.490 . 5.650 5.632 5.428 5.704 0.054 6 0 "[ . 1 . 2]" 1
184 1 13 ILE HB 1 83 VAL HA 5.230 . 5.390 4.825 4.598 5.197 . 0 0 "[ . 1 . 2]" 1
185 1 13 ILE HB 1 83 VAL QG 3.320 . 3.420 2.776 2.112 3.527 0.107 5 0 "[ . 1 . 2]" 1
186 1 13 ILE HB 1 85 LYS HA 4.520 . 4.660 4.112 3.479 4.350 . 0 0 "[ . 1 . 2]" 1
187 1 13 ILE HB 1 86 ALA MB 5.500 . 5.660 4.435 4.311 4.637 . 0 0 "[ . 1 . 2]" 1
188 1 13 ILE HG12 1 56 PHE HA 5.500 . 5.660 5.228 4.934 5.763 0.103 11 0 "[ . 1 . 2]" 1
189 1 13 ILE HG12 1 57 VAL HB 4.130 . 4.250 1.925 1.799 2.416 0.001 19 0 "[ . 1 . 2]" 1
190 1 13 ILE HG12 1 59 PHE QD 5.110 . 5.260 3.852 3.562 4.157 . 0 0 "[ . 1 . 2]" 1
191 1 13 ILE HG12 1 59 PHE QE 3.700 . 3.810 1.803 1.777 1.839 0.023 12 0 "[ . 1 . 2]" 1
192 1 13 ILE HG13 1 56 PHE HA 5.500 . 5.660 3.771 3.572 4.179 . 0 0 "[ . 1 . 2]" 1
193 1 13 ILE HG13 1 57 VAL HB 4.130 . 4.250 2.395 1.844 2.712 . 0 0 "[ . 1 . 2]" 1
194 1 13 ILE HG13 1 59 PHE QD 5.110 . 5.260 5.097 4.208 5.295 0.035 2 0 "[ . 1 . 2]" 1
195 1 13 ILE HG13 1 59 PHE QE 3.700 . 3.810 3.391 2.534 3.562 . 0 0 "[ . 1 . 2]" 1
196 1 13 ILE MD 1 14 PHE H 3.530 . 3.640 3.614 3.204 3.715 0.075 3 0 "[ . 1 . 2]" 1
197 1 13 ILE MD 1 15 VAL H 4.140 . 4.260 4.178 3.424 4.327 0.067 4 0 "[ . 1 . 2]" 1
198 1 13 ILE MD 1 15 VAL HA 5.070 . 5.220 3.835 3.376 4.148 . 0 0 "[ . 1 . 2]" 1
199 1 13 ILE MD 1 15 VAL MG1 3.870 . 3.990 3.830 3.526 4.011 0.021 12 0 "[ . 1 . 2]" 1
200 1 13 ILE MD 1 15 VAL MG2 3.870 . 3.990 2.070 1.934 2.218 . 0 0 "[ . 1 . 2]" 1
201 1 13 ILE MD 1 15 VAL QG 2.690 . 2.770 2.061 1.927 2.207 . 0 0 "[ . 1 . 2]" 1
202 1 13 ILE MD 1 31 PHE QD 4.120 . 4.240 3.302 3.106 3.596 . 0 0 "[ . 1 . 2]" 1
203 1 13 ILE MD 1 31 PHE QE 3.310 . 3.410 2.697 2.604 2.878 . 0 0 "[ . 1 . 2]" 1
204 1 13 ILE MD 1 55 ALA MB 5.500 . 5.660 5.508 4.852 5.713 0.053 17 0 "[ . 1 . 2]" 1
205 1 13 ILE MD 1 56 PHE HA 4.990 . 5.140 4.614 3.570 5.040 . 0 0 "[ . 1 . 2]" 1
206 1 13 ILE MD 1 57 VAL H 3.810 . 3.920 3.709 3.059 3.970 0.050 14 0 "[ . 1 . 2]" 1
207 1 13 ILE MD 1 57 VAL HB 3.350 . 3.450 2.607 2.350 2.938 . 0 0 "[ . 1 . 2]" 1
208 1 13 ILE MD 1 65 VAL QG 5.440 . 5.600 4.388 3.991 5.221 . 0 0 "[ . 1 . 2]" 1
209 1 13 ILE MD 1 68 ILE HB 5.050 . 5.200 3.905 3.571 4.935 . 0 0 "[ . 1 . 2]" 1
210 1 13 ILE MD 1 68 ILE MD 3.800 . 3.910 2.734 2.261 3.802 . 0 0 "[ . 1 . 2]" 1
211 1 13 ILE MD 1 68 ILE MG 2.970 . 3.060 1.940 1.761 2.854 0.039 5 0 "[ . 1 . 2]" 1
212 1 13 ILE MD 1 69 VAL HA 5.500 . 5.660 5.297 5.036 5.709 0.049 11 0 "[ . 1 . 2]" 1
213 1 13 ILE MD 1 69 VAL MG1 4.930 . 5.080 4.169 3.946 4.657 . 0 0 "[ . 1 . 2]" 1
214 1 13 ILE MD 1 83 VAL HB 4.180 . 4.310 3.382 1.998 4.293 . 0 0 "[ . 1 . 2]" 1
215 1 13 ILE MD 1 83 VAL MG1 3.400 . 3.500 2.250 1.788 3.079 0.012 3 0 "[ . 1 . 2]" 1
216 1 13 ILE MD 1 83 VAL MG2 3.400 . 3.500 2.889 2.438 3.099 . 0 0 "[ . 1 . 2]" 1
217 1 13 ILE MD 1 83 VAL QG 2.730 . 2.810 2.128 1.772 2.692 0.028 3 0 "[ . 1 . 2]" 1
218 1 13 ILE MD 1 85 LYS HA 5.500 . 5.660 5.637 5.158 5.745 0.085 10 0 "[ . 1 . 2]" 1
219 1 13 ILE MD 1 86 ALA H 5.500 . 5.660 5.723 5.491 5.792 0.132 3 0 "[ . 1 . 2]" 1
220 1 13 ILE QG 1 15 VAL QG 3.570 . 3.680 2.764 2.537 3.454 . 0 0 "[ . 1 . 2]" 1
221 1 13 ILE QG 1 57 VAL HB 3.590 . 3.700 1.800 1.752 1.913 0.048 19 0 "[ . 1 . 2]" 1
222 1 13 ILE QG 1 59 PHE HZ 5.020 . 5.170 3.281 2.826 3.499 . 0 0 "[ . 1 . 2]" 1
223 1 13 ILE QG 1 59 PHE QE 3.180 . 3.280 1.794 1.772 1.833 0.028 12 0 "[ . 1 . 2]" 1
224 1 13 ILE QG 1 68 ILE MG 3.860 . 3.980 3.467 2.835 3.714 . 0 0 "[ . 1 . 2]" 1
225 1 13 ILE QG 1 83 VAL QG 4.330 . 4.460 3.631 3.223 4.229 . 0 0 "[ . 1 . 2]" 1
226 1 13 ILE MD 1 13 ILE MG 3.080 . 3.170 2.349 2.127 3.020 . 0 0 "[ . 1 . 2]" 1
227 1 13 ILE QG 1 13 ILE MG 3.190 . 3.290 2.156 2.075 2.222 . 0 0 "[ . 1 . 2]" 1
228 1 13 ILE MG 1 57 VAL HB 3.860 . 3.980 3.669 3.531 3.836 . 0 0 "[ . 1 . 2]" 1
229 1 13 ILE MG 1 57 VAL MG2 4.780 . 4.920 4.534 4.394 4.698 . 0 0 "[ . 1 . 2]" 1
230 1 13 ILE MG 1 58 THR HA 5.190 . 5.350 5.097 4.817 5.330 . 0 0 "[ . 1 . 2]" 1
231 1 13 ILE MG 1 59 PHE H 5.230 . 5.390 4.941 4.765 5.069 . 0 0 "[ . 1 . 2]" 1
232 1 13 ILE MG 1 59 PHE HB3 5.500 . 5.660 5.711 5.657 5.752 0.092 7 0 "[ . 1 . 2]" 1
233 1 13 ILE MG 1 59 PHE QD 3.230 . 3.330 2.806 2.693 2.856 . 0 0 "[ . 1 . 2]" 1
234 1 13 ILE MG 1 59 PHE QE 3.390 . 3.490 1.965 1.853 2.183 . 0 0 "[ . 1 . 2]" 1
235 1 13 ILE MG 1 65 VAL H 5.070 . 5.220 4.978 4.729 5.213 . 0 0 "[ . 1 . 2]" 1
236 1 13 ILE MG 1 65 VAL HA 3.590 . 3.700 2.953 2.727 3.155 . 0 0 "[ . 1 . 2]" 1
237 1 13 ILE MG 1 65 VAL HB 4.180 . 4.310 3.443 2.169 4.285 . 0 0 "[ . 1 . 2]" 1
238 1 13 ILE MG 1 68 ILE MD 3.350 . 3.450 2.658 2.371 2.961 . 0 0 "[ . 1 . 2]" 1
239 1 13 ILE MG 1 68 ILE MG 3.110 . 3.200 2.327 2.123 2.587 . 0 0 "[ . 1 . 2]" 1
240 1 13 ILE MG 1 69 VAL H 4.270 . 4.400 3.818 3.533 4.006 . 0 0 "[ . 1 . 2]" 1
241 1 13 ILE MG 1 85 LYS HA 3.700 . 3.810 3.428 3.135 3.642 . 0 0 "[ . 1 . 2]" 1
242 1 14 PHE H 1 14 PHE HB2 3.000 . 3.090 3.071 2.978 3.204 0.114 20 0 "[ . 1 . 2]" 1
243 1 14 PHE H 1 14 PHE QD 4.180 . 4.310 4.157 4.085 4.226 . 0 0 "[ . 1 . 2]" 1
244 1 14 PHE H 1 15 VAL H 4.420 . 4.550 4.321 4.196 4.442 . 0 0 "[ . 1 . 2]" 1
245 1 14 PHE H 1 83 VAL HA 4.750 . 4.890 4.387 4.202 4.630 . 0 0 "[ . 1 . 2]" 1
246 1 14 PHE H 1 83 VAL QG 4.310 . 4.440 3.561 2.911 4.429 . 0 0 "[ . 1 . 2]" 1
247 1 14 PHE H 1 85 LYS HA 3.840 . 3.960 3.591 2.965 3.765 . 0 0 "[ . 1 . 2]" 1
248 1 14 PHE H 1 86 ALA H 3.340 . 3.440 3.291 3.205 3.451 0.011 13 0 "[ . 1 . 2]" 1
249 1 14 PHE HA 1 14 PHE QD 3.610 . 3.720 2.651 2.474 2.765 . 0 0 "[ . 1 . 2]" 1
250 1 14 PHE HA 1 15 VAL H 2.620 . 2.700 2.151 2.128 2.165 . 0 0 "[ . 1 . 2]" 1
251 1 14 PHE HA 1 15 VAL HB 5.500 . 5.660 4.766 4.675 4.895 . 0 0 "[ . 1 . 2]" 1
252 1 14 PHE HA 1 15 VAL QG 4.180 . 4.310 3.519 3.369 3.637 . 0 0 "[ . 1 . 2]" 1
253 1 14 PHE HA 1 55 ALA H 5.500 . 5.660 5.062 4.896 5.342 . 0 0 "[ . 1 . 2]" 1
254 1 14 PHE HA 1 55 ALA MB 5.500 . 5.660 5.519 5.250 5.707 0.047 2 0 "[ . 1 . 2]" 1
255 1 14 PHE HA 1 56 PHE HA 3.810 . 3.920 2.847 2.697 3.047 . 0 0 "[ . 1 . 2]" 1
256 1 14 PHE HA 1 56 PHE HB3 5.410 . 5.570 4.148 3.942 4.382 . 0 0 "[ . 1 . 2]" 1
257 1 14 PHE HA 1 84 ARG H 4.900 . 5.050 4.546 4.370 4.795 . 0 0 "[ . 1 . 2]" 1
258 1 14 PHE HA 1 86 ALA H 5.370 . 5.530 5.041 4.761 5.180 . 0 0 "[ . 1 . 2]" 1
259 1 14 PHE HB2 1 15 VAL H 4.540 . 4.680 4.248 4.153 4.381 . 0 0 "[ . 1 . 2]" 1
260 1 14 PHE HB2 1 84 ARG HB2 5.460 . 5.620 4.367 3.397 5.917 0.297 3 0 "[ . 1 . 2]" 1
261 1 14 PHE HB2 1 84 ARG QD 5.340 . 5.500 5.070 4.384 6.270 0.770 9 1 "[ . +1 . 2]" 1
262 1 14 PHE HB2 1 86 ALA H 4.490 . 4.620 4.121 3.800 4.292 . 0 0 "[ . 1 . 2]" 1
263 1 14 PHE QD 1 15 VAL H 3.960 . 4.080 3.439 3.239 3.605 . 0 0 "[ . 1 . 2]" 1
264 1 14 PHE QD 1 15 VAL HA 4.790 . 4.930 4.496 4.310 4.663 . 0 0 "[ . 1 . 2]" 1
265 1 14 PHE QD 1 15 VAL QG 5.140 . 5.290 4.652 4.551 4.746 . 0 0 "[ . 1 . 2]" 1
266 1 14 PHE QD 1 54 PHE QE 5.070 . 5.220 4.854 4.291 5.229 0.009 10 0 "[ . 1 . 2]" 1
267 1 14 PHE QD 1 56 PHE HA 5.290 . 5.450 4.353 4.071 4.583 . 0 0 "[ . 1 . 2]" 1
268 1 14 PHE QD 1 83 VAL HA 4.860 . 5.010 4.030 3.720 4.271 . 0 0 "[ . 1 . 2]" 1
269 1 14 PHE QD 1 84 ARG H 3.800 . 3.910 3.219 2.807 3.545 . 0 0 "[ . 1 . 2]" 1
270 1 14 PHE QD 1 84 ARG HA 5.430 . 5.590 5.006 4.499 5.560 . 0 0 "[ . 1 . 2]" 1
271 1 14 PHE QD 1 84 ARG HB2 4.920 . 5.070 3.214 2.348 4.574 . 0 0 "[ . 1 . 2]" 1
272 1 14 PHE QD 1 84 ARG HD2 4.570 . 4.710 3.019 2.147 4.597 . 0 0 "[ . 1 . 2]" 1
273 1 14 PHE QD 1 84 ARG HG2 4.410 . 4.540 3.348 2.399 3.974 . 0 0 "[ . 1 . 2]" 1
274 1 14 PHE QD 1 84 ARG QD 3.990 . 4.110 2.838 2.132 3.823 . 0 0 "[ . 1 . 2]" 1
275 1 14 PHE QD 1 86 ALA HA 5.500 . 5.660 4.288 4.063 4.570 . 0 0 "[ . 1 . 2]" 1
276 1 14 PHE QD 1 86 ALA MB 4.710 . 4.850 3.745 3.472 3.923 . 0 0 "[ . 1 . 2]" 1
277 1 14 PHE QE 1 54 PHE QE 3.960 . 4.080 3.790 3.285 4.146 0.066 11 0 "[ . 1 . 2]" 1
278 1 14 PHE QE 1 55 ALA HA 5.500 . 5.660 5.617 5.274 5.706 0.046 14 0 "[ . 1 . 2]" 1
279 1 15 VAL H 1 15 VAL HB 3.320 . 3.420 2.664 2.588 2.798 . 0 0 "[ . 1 . 2]" 1
280 1 15 VAL H 1 15 VAL MG1 3.920 . 4.040 3.850 3.833 3.881 . 0 0 "[ . 1 . 2]" 1
281 1 15 VAL H 1 15 VAL MG2 3.920 . 4.040 2.374 2.216 2.497 . 0 0 "[ . 1 . 2]" 1
282 1 15 VAL H 1 15 VAL QG 2.740 . 2.820 2.353 2.203 2.467 . 0 0 "[ . 1 . 2]" 1
283 1 15 VAL H 1 16 GLY H 4.470 . 4.600 4.195 4.044 4.298 . 0 0 "[ . 1 . 2]" 1
284 1 15 VAL H 1 55 ALA H 3.680 . 3.790 3.354 3.147 3.599 . 0 0 "[ . 1 . 2]" 1
285 1 15 VAL H 1 55 ALA HA 5.500 . 5.660 4.964 4.796 5.129 . 0 0 "[ . 1 . 2]" 1
286 1 15 VAL H 1 55 ALA MB 4.280 . 4.410 4.133 3.772 4.412 0.002 7 0 "[ . 1 . 2]" 1
287 1 15 VAL H 1 56 PHE H 4.930 . 5.080 4.842 4.624 5.039 . 0 0 "[ . 1 . 2]" 1
288 1 15 VAL H 1 56 PHE HA 3.520 . 3.630 3.023 2.900 3.110 . 0 0 "[ . 1 . 2]" 1
289 1 15 VAL H 1 56 PHE HB3 5.020 . 5.170 5.180 5.115 5.209 0.039 15 0 "[ . 1 . 2]" 1
290 1 15 VAL H 1 57 VAL H 4.600 . 4.740 4.408 3.997 4.749 0.009 1 0 "[ . 1 . 2]" 1
291 1 15 VAL H 1 83 VAL HA 5.050 . 5.200 4.861 4.732 5.120 . 0 0 "[ . 1 . 2]" 1
292 1 15 VAL H 1 84 ARG H 5.340 . 5.500 4.994 4.778 5.280 . 0 0 "[ . 1 . 2]" 1
293 1 15 VAL HA 1 15 VAL MG1 3.200 . 3.300 2.324 2.249 2.371 . 0 0 "[ . 1 . 2]" 1
294 1 15 VAL HA 1 15 VAL MG2 3.200 . 3.300 2.476 2.418 2.577 . 0 0 "[ . 1 . 2]" 1
295 1 15 VAL HA 1 31 PHE QE 5.260 . 5.420 5.263 5.034 5.434 0.014 8 0 "[ . 1 . 2]" 1
296 1 15 VAL HA 1 81 CYS QB 5.060 . 5.210 4.363 3.854 4.673 . 0 0 "[ . 1 . 2]" 1
297 1 15 VAL HA 1 83 VAL HA 3.330 . 3.430 2.648 2.412 2.958 . 0 0 "[ . 1 . 2]" 1
298 1 15 VAL HA 1 83 VAL HB 5.110 . 5.260 4.389 3.178 5.240 . 0 0 "[ . 1 . 2]" 1
299 1 15 VAL HA 1 83 VAL QG 3.550 . 3.660 2.541 2.213 2.916 . 0 0 "[ . 1 . 2]" 1
300 1 15 VAL HB 1 18 ILE MD 4.750 . 4.890 3.730 3.191 4.475 . 0 0 "[ . 1 . 2]" 1
301 1 15 VAL HB 1 27 LEU QD 3.710 . 3.820 2.914 2.237 3.386 . 0 0 "[ . 1 . 2]" 1
302 1 15 VAL HB 1 31 PHE HZ 5.500 . 5.660 5.508 5.090 5.722 0.062 11 0 "[ . 1 . 2]" 1
303 1 15 VAL HB 1 31 PHE QE 5.440 . 5.600 4.667 4.166 5.114 . 0 0 "[ . 1 . 2]" 1
304 1 15 VAL HB 1 55 ALA H 5.220 . 5.380 2.884 2.461 3.173 . 0 0 "[ . 1 . 2]" 1
305 1 15 VAL HB 1 55 ALA MB 3.520 . 3.630 2.761 2.303 3.180 . 0 0 "[ . 1 . 2]" 1
306 1 15 VAL HB 1 57 VAL MG2 4.800 . 4.940 3.954 3.645 4.356 . 0 0 "[ . 1 . 2]" 1
307 1 15 VAL HB 1 83 VAL QG 5.400 . 5.560 4.364 3.955 4.696 . 0 0 "[ . 1 . 2]" 1
308 1 15 VAL MG1 1 31 PHE HZ 3.830 . 3.940 3.393 2.946 3.705 . 0 0 "[ . 1 . 2]" 1
309 1 15 VAL MG1 1 31 PHE QD 5.500 . 5.660 5.186 4.846 5.517 . 0 0 "[ . 1 . 2]" 1
310 1 15 VAL MG1 1 31 PHE QE 3.600 . 3.710 3.292 2.906 3.642 . 0 0 "[ . 1 . 2]" 1
311 1 15 VAL MG1 1 55 ALA MB 3.820 . 3.930 3.640 3.006 3.959 0.029 7 0 "[ . 1 . 2]" 1
312 1 15 VAL MG2 1 31 PHE HZ 3.830 . 3.940 2.811 2.496 3.114 . 0 0 "[ . 1 . 2]" 1
313 1 15 VAL MG2 1 31 PHE QD 5.500 . 5.660 3.919 3.655 4.280 . 0 0 "[ . 1 . 2]" 1
314 1 15 VAL MG2 1 31 PHE QE 3.600 . 3.710 2.274 1.890 2.590 . 0 0 "[ . 1 . 2]" 1
315 1 15 VAL MG2 1 55 ALA MB 3.820 . 3.930 3.434 2.886 3.788 . 0 0 "[ . 1 . 2]" 1
316 1 15 VAL QG 1 16 GLY QA 4.450 . 4.580 3.596 3.352 3.962 . 0 0 "[ . 1 . 2]" 1
317 1 15 VAL QG 1 17 GLY QA 5.280 . 5.440 4.954 4.416 5.240 . 0 0 "[ . 1 . 2]" 1
318 1 15 VAL QG 1 18 ILE MD 3.110 . 3.200 2.993 2.259 3.276 0.076 18 0 "[ . 1 . 2]" 1
319 1 15 VAL QG 1 27 LEU HA 5.440 . 5.600 4.095 3.798 4.359 . 0 0 "[ . 1 . 2]" 1
320 1 15 VAL QG 1 27 LEU HG 4.370 . 4.500 2.794 1.805 4.207 . 0 0 "[ . 1 . 2]" 1
321 1 15 VAL QG 1 27 LEU QD 2.710 . 2.790 1.846 1.724 2.112 0.076 7 0 "[ . 1 . 2]" 1
322 1 15 VAL QG 1 31 PHE HZ 3.290 . 3.390 2.671 2.418 2.861 . 0 0 "[ . 1 . 2]" 1
323 1 15 VAL QG 1 31 PHE QD 4.350 . 4.480 3.808 3.566 4.142 . 0 0 "[ . 1 . 2]" 1
324 1 15 VAL QG 1 31 PHE QE 3.080 . 3.170 2.233 1.871 2.538 . 0 0 "[ . 1 . 2]" 1
325 1 15 VAL QG 1 55 ALA H 4.520 . 4.660 3.615 3.324 3.792 . 0 0 "[ . 1 . 2]" 1
326 1 15 VAL QG 1 55 ALA HA 5.440 . 5.600 4.946 4.528 5.218 . 0 0 "[ . 1 . 2]" 1
327 1 15 VAL QG 1 56 PHE HA 4.310 . 4.440 3.234 2.886 3.677 . 0 0 "[ . 1 . 2]" 1
328 1 15 VAL QG 1 57 VAL MG2 4.980 . 5.130 2.149 1.985 2.296 . 0 0 "[ . 1 . 2]" 1
329 1 15 VAL QG 1 76 VAL QG 4.210 . 4.340 2.733 2.264 3.191 . 0 0 "[ . 1 . 2]" 1
330 1 15 VAL QG 1 81 CYS HA 5.440 . 5.600 4.804 3.997 5.245 . 0 0 "[ . 1 . 2]" 1
331 1 15 VAL QG 1 81 CYS QB 3.440 . 3.540 2.665 2.118 3.135 . 0 0 "[ . 1 . 2]" 1
332 1 15 VAL QG 1 83 VAL HA 4.610 . 4.750 3.541 3.218 3.876 . 0 0 "[ . 1 . 2]" 1
333 1 15 VAL QG 1 83 VAL QG 3.110 . 3.200 2.136 1.790 2.422 0.010 3 0 "[ . 1 . 2]" 1
334 1 16 GLY QA 1 55 ALA H 5.340 . 5.500 3.824 3.251 4.257 . 0 0 "[ . 1 . 2]" 1
335 1 17 GLY HA2 1 81 CYS QB 5.090 . 5.240 5.007 4.150 5.276 0.036 9 0 "[ . 1 . 2]" 1
336 1 17 GLY QA 1 18 ILE MG 4.210 . 4.340 3.943 3.681 4.231 . 0 0 "[ . 1 . 2]" 1
337 1 17 GLY QA 1 81 CYS HA 4.010 . 4.130 3.361 2.754 4.081 . 0 0 "[ . 1 . 2]" 1
338 1 17 GLY QA 1 81 CYS QB 4.400 . 4.530 3.744 2.891 4.187 . 0 0 "[ . 1 . 2]" 1
339 1 18 ILE MD 1 22 THR MG 3.850 . 3.970 3.168 2.344 3.981 0.011 12 0 "[ . 1 . 2]" 1
340 1 18 ILE MD 1 27 LEU QD 3.730 . 3.840 3.143 2.544 3.875 0.035 16 0 "[ . 1 . 2]" 1
341 1 18 ILE MD 1 55 ALA H 4.220 . 4.350 3.406 2.484 4.170 . 0 0 "[ . 1 . 2]" 1
342 1 18 ILE MD 1 55 ALA HA 5.340 . 5.500 4.793 3.637 5.579 0.079 19 0 "[ . 1 . 2]" 1
343 1 18 ILE MD 1 55 ALA MB 3.590 . 3.700 3.008 1.981 3.771 0.071 16 0 "[ . 1 . 2]" 1
344 1 18 ILE MD 1 81 CYS QB 5.500 . 5.660 4.686 3.678 5.104 . 0 0 "[ . 1 . 2]" 1
345 1 18 ILE MD 1 18 ILE MG 2.590 . 2.670 1.898 1.827 1.938 . 0 0 "[ . 1 . 2]" 1
346 1 18 ILE MG 1 22 THR MG 3.210 . 3.310 2.815 2.201 3.339 0.029 10 0 "[ . 1 . 2]" 1
347 1 18 ILE MG 1 27 LEU QD 3.020 . 3.110 2.907 2.517 3.273 0.163 10 0 "[ . 1 . 2]" 1
348 1 18 ILE MG 1 31 PHE QE 5.500 . 5.660 5.421 4.989 5.734 0.074 11 0 "[ . 1 . 2]" 1
349 1 18 ILE MG 1 76 VAL QG 4.540 . 4.680 3.397 2.780 4.079 . 0 0 "[ . 1 . 2]" 1
350 1 18 ILE MG 1 81 CYS H 5.410 . 5.570 4.986 4.586 5.527 . 0 0 "[ . 1 . 2]" 1
351 1 18 ILE MG 1 81 CYS HA 4.370 . 4.500 4.023 3.450 4.517 0.017 13 0 "[ . 1 . 2]" 1
352 1 18 ILE MG 1 81 CYS QB 3.600 . 3.710 2.296 1.779 3.138 0.021 7 0 "[ . 1 . 2]" 1
353 1 22 THR HA 1 26 HIS HE1 4.510 . 4.650 3.485 3.253 3.769 . 0 0 "[ . 1 . 2]" 1
354 1 22 THR HA 1 27 LEU QD 4.600 . 4.740 4.372 3.994 4.806 0.066 13 0 "[ . 1 . 2]" 1
355 1 22 THR MG 1 23 GLU H 3.240 . 3.340 2.746 2.315 3.153 . 0 0 "[ . 1 . 2]" 1
356 1 22 THR MG 1 23 GLU HA 4.840 . 4.990 3.879 3.610 4.272 . 0 0 "[ . 1 . 2]" 1
357 1 22 THR MG 1 23 GLU HG3 5.500 . 5.660 5.154 4.567 5.696 0.036 9 0 "[ . 1 . 2]" 1
358 1 22 THR MG 1 24 GLU H 5.500 . 5.660 5.442 5.164 5.699 0.039 9 0 "[ . 1 . 2]" 1
359 1 22 THR MG 1 24 GLU HA 5.470 . 5.630 5.296 4.957 5.651 0.021 7 0 "[ . 1 . 2]" 1
360 1 22 THR MG 1 26 HIS HA 4.520 . 4.660 4.366 4.114 4.601 . 0 0 "[ . 1 . 2]" 1
361 1 22 THR MG 1 26 HIS HB3 3.250 . 3.350 2.222 1.955 2.540 . 0 0 "[ . 1 . 2]" 1
362 1 22 THR MG 1 26 HIS HD2 4.440 . 4.570 4.246 3.809 4.505 . 0 0 "[ . 1 . 2]" 1
363 1 22 THR MG 1 27 LEU H 3.300 . 3.400 3.330 3.000 3.474 0.074 16 0 "[ . 1 . 2]" 1
364 1 22 THR MG 1 27 LEU HA 4.960 . 5.110 4.075 3.733 4.309 . 0 0 "[ . 1 . 2]" 1
365 1 22 THR MG 1 27 LEU MD1 3.390 . 3.490 2.506 1.807 3.500 0.010 17 0 "[ . 1 . 2]" 1
366 1 22 THR MG 1 27 LEU MD2 3.390 . 3.490 2.479 2.081 3.635 0.145 15 0 "[ . 1 . 2]" 1
367 1 22 THR MG 1 27 LEU QD 2.900 . 2.990 2.007 1.802 2.219 . 0 0 "[ . 1 . 2]" 1
368 1 22 THR MG 1 76 VAL HA 5.500 . 5.660 5.267 4.758 5.655 . 0 0 "[ . 1 . 2]" 1
369 1 22 THR MG 1 76 VAL HB 5.330 . 5.490 3.947 3.093 5.190 . 0 0 "[ . 1 . 2]" 1
370 1 22 THR MG 1 76 VAL QG 2.990 . 3.080 2.468 2.098 2.686 . 0 0 "[ . 1 . 2]" 1
371 1 22 THR MG 1 77 ASN H 4.790 . 4.930 4.819 4.386 4.976 0.046 10 0 "[ . 1 . 2]" 1
372 1 22 THR MG 1 77 ASN HA 5.140 . 5.290 4.908 4.337 5.329 0.039 4 0 "[ . 1 . 2]" 1
373 1 22 THR MG 1 77 ASN HB2 4.250 . 4.380 2.811 2.210 3.389 . 0 0 "[ . 1 . 2]" 1
374 1 22 THR MG 1 77 ASN QB 3.560 . 3.670 2.676 2.164 3.146 . 0 0 "[ . 1 . 2]" 1
375 1 23 GLU H 1 23 GLU HB3 3.590 . 3.700 2.985 2.788 3.297 . 0 0 "[ . 1 . 2]" 1
376 1 23 GLU H 1 23 GLU HG3 3.690 . 3.800 3.233 2.687 3.670 . 0 0 "[ . 1 . 2]" 1
377 1 23 GLU H 1 24 GLU H 4.550 . 4.690 4.316 4.245 4.454 . 0 0 "[ . 1 . 2]" 1
378 1 23 GLU H 1 25 HIS HD2 4.850 . 5.000 4.199 3.844 4.363 . 0 0 "[ . 1 . 2]" 1
379 1 23 GLU H 1 26 HIS H 5.090 . 5.240 3.300 3.052 3.625 . 0 0 "[ . 1 . 2]" 1
380 1 23 GLU H 1 26 HIS HE1 4.200 . 4.330 3.341 3.187 3.738 . 0 0 "[ . 1 . 2]" 1
381 1 23 GLU H 1 27 LEU H 4.730 . 4.870 4.171 3.578 4.554 . 0 0 "[ . 1 . 2]" 1
382 1 23 GLU HA 1 23 GLU HG3 3.640 . 3.750 3.685 3.541 3.787 0.037 19 0 "[ . 1 . 2]" 1
383 1 23 GLU HA 1 24 GLU HA 4.660 . 4.800 4.277 4.213 4.362 . 0 0 "[ . 1 . 2]" 1
384 1 23 GLU HA 1 42 ILE HB 5.500 . 5.660 5.212 4.836 5.670 0.010 20 0 "[ . 1 . 2]" 1
385 1 23 GLU HA 1 42 ILE MD 3.180 . 3.280 2.618 2.275 2.993 . 0 0 "[ . 1 . 2]" 1
386 1 23 GLU HA 1 42 ILE MG 3.850 . 3.970 2.954 2.522 3.296 . 0 0 "[ . 1 . 2]" 1
387 1 23 GLU HB3 1 24 GLU H 3.660 . 3.770 3.502 3.424 3.571 . 0 0 "[ . 1 . 2]" 1
388 1 23 GLU HB3 1 25 HIS H 4.890 . 5.040 4.862 4.653 5.046 0.006 6 0 "[ . 1 . 2]" 1
389 1 23 GLU HB3 1 25 HIS HD2 4.050 . 4.170 4.253 4.165 4.325 0.155 18 0 "[ . 1 . 2]" 1
390 1 23 GLU HB3 1 26 HIS HE1 4.690 . 4.830 4.042 3.825 4.207 . 0 0 "[ . 1 . 2]" 1
391 1 23 GLU HB3 1 42 ILE MD 4.970 . 5.120 3.503 3.175 3.966 . 0 0 "[ . 1 . 2]" 1
392 1 23 GLU HG3 1 24 GLU H 3.070 . 3.160 2.618 2.343 2.930 . 0 0 "[ . 1 . 2]" 1
393 1 23 GLU HG3 1 25 HIS H 5.170 . 5.330 2.082 1.867 2.240 . 0 0 "[ . 1 . 2]" 1
394 1 23 GLU HG3 1 25 HIS HD2 4.090 . 4.210 2.164 1.939 2.428 . 0 0 "[ . 1 . 2]" 1
395 1 23 GLU HG3 1 42 ILE MD 4.480 . 4.610 3.885 3.433 4.242 . 0 0 "[ . 1 . 2]" 1
396 1 23 GLU HG3 1 42 ILE MG 5.500 . 5.660 5.655 5.167 5.776 0.116 16 0 "[ . 1 . 2]" 1
397 1 24 GLU H 1 24 GLU HA 2.830 . 2.910 2.771 2.735 2.799 . 0 0 "[ . 1 . 2]" 1
398 1 24 GLU H 1 24 GLU HB3 2.630 . 2.710 2.258 2.138 2.380 . 0 0 "[ . 1 . 2]" 1
399 1 24 GLU H 1 25 HIS H 3.340 . 3.440 2.872 2.753 2.967 . 0 0 "[ . 1 . 2]" 1
400 1 24 GLU H 1 25 HIS HB3 4.900 . 5.050 4.933 4.651 5.064 0.014 4 0 "[ . 1 . 2]" 1
401 1 24 GLU H 1 27 LEU H 5.390 . 5.550 5.054 4.925 5.198 . 0 0 "[ . 1 . 2]" 1
402 1 24 GLU H 1 40 ILE HB 4.760 . 4.900 4.725 4.354 4.963 0.063 13 0 "[ . 1 . 2]" 1
403 1 24 GLU H 1 42 ILE HB 5.310 . 5.470 5.222 5.020 5.407 . 0 0 "[ . 1 . 2]" 1
404 1 24 GLU H 1 42 ILE QG 3.770 . 3.880 3.034 2.745 3.418 . 0 0 "[ . 1 . 2]" 1
405 1 24 GLU HA 1 24 GLU HG2 3.800 . 3.910 3.329 2.637 3.645 . 0 0 "[ . 1 . 2]" 1
406 1 24 GLU HA 1 24 GLU QG 3.190 . 3.290 2.690 2.575 2.797 . 0 0 "[ . 1 . 2]" 1
407 1 24 GLU HA 1 27 LEU H 4.060 . 4.180 3.717 3.536 3.913 . 0 0 "[ . 1 . 2]" 1
408 1 24 GLU HA 1 27 LEU QD 3.650 . 3.760 3.013 2.603 3.459 . 0 0 "[ . 1 . 2]" 1
409 1 24 GLU HA 1 28 ARG H 3.850 . 3.970 3.852 3.675 4.008 0.038 3 0 "[ . 1 . 2]" 1
410 1 24 GLU HA 1 40 ILE HA 5.450 . 5.610 4.956 4.711 5.241 . 0 0 "[ . 1 . 2]" 1
411 1 24 GLU HA 1 40 ILE MG 3.170 . 3.270 1.753 1.717 1.789 0.083 17 0 "[ . 1 . 2]" 1
412 1 24 GLU HA 1 42 ILE MD 3.560 . 3.670 3.270 2.830 3.522 . 0 0 "[ . 1 . 2]" 1
413 1 24 GLU HA 1 42 ILE QG 3.780 . 3.890 3.127 2.831 3.296 . 0 0 "[ . 1 . 2]" 1
414 1 24 GLU HA 1 42 ILE MG 5.040 . 5.190 4.902 4.316 5.198 0.008 7 0 "[ . 1 . 2]" 1
415 1 24 GLU HB3 1 25 HIS H 3.470 . 3.570 2.691 2.433 2.875 . 0 0 "[ . 1 . 2]" 1
416 1 24 GLU HB3 1 40 ILE HB 4.530 . 4.670 3.712 3.605 3.803 . 0 0 "[ . 1 . 2]" 1
417 1 24 GLU HB3 1 40 ILE MG 4.510 . 4.650 4.063 3.869 4.243 . 0 0 "[ . 1 . 2]" 1
418 1 24 GLU HB3 1 42 ILE MD 3.640 . 3.750 2.465 2.224 2.698 . 0 0 "[ . 1 . 2]" 1
419 1 24 GLU HG2 1 40 ILE HB 3.700 . 3.810 3.253 1.795 3.729 0.005 5 0 "[ . 1 . 2]" 1
420 1 24 GLU QG 1 25 HIS H 4.430 . 4.560 3.043 2.748 3.962 . 0 0 "[ . 1 . 2]" 1
421 1 24 GLU QG 1 28 ARG HA 5.340 . 5.500 5.188 4.846 5.481 . 0 0 "[ . 1 . 2]" 1
422 1 24 GLU QG 1 37 ILE MG 5.340 . 5.500 4.855 4.560 5.060 . 0 0 "[ . 1 . 2]" 1
423 1 24 GLU QG 1 40 ILE H 5.150 . 5.300 3.444 2.782 3.875 . 0 0 "[ . 1 . 2]" 1
424 1 24 GLU QG 1 40 ILE HA 5.270 . 5.430 4.407 4.114 4.571 . 0 0 "[ . 1 . 2]" 1
425 1 24 GLU QG 1 40 ILE HB 3.220 . 3.320 1.876 1.755 2.106 0.045 12 0 "[ . 1 . 2]" 1
426 1 24 GLU QG 1 40 ILE HG12 4.350 . 4.480 2.390 2.139 2.628 . 0 0 "[ . 1 . 2]" 1
427 1 24 GLU QG 1 40 ILE MD 3.710 . 3.820 3.469 3.341 3.566 . 0 0 "[ . 1 . 2]" 1
428 1 24 GLU QG 1 40 ILE MG 3.390 . 3.490 2.907 2.728 3.116 . 0 0 "[ . 1 . 2]" 1
429 1 24 GLU QG 1 42 ILE MD 4.110 . 4.230 3.970 3.673 4.243 0.013 8 0 "[ . 1 . 2]" 1
430 1 25 HIS H 1 25 HIS HD2 3.860 . 3.980 3.043 2.785 3.446 . 0 0 "[ . 1 . 2]" 1
431 1 25 HIS H 1 26 HIS H 4.930 . 5.080 2.650 2.599 2.695 . 0 0 "[ . 1 . 2]" 1
432 1 25 HIS H 1 27 LEU H 4.990 . 5.140 4.576 4.426 4.809 . 0 0 "[ . 1 . 2]" 1
433 1 25 HIS H 1 28 ARG H 5.430 . 5.590 4.847 4.752 4.958 . 0 0 "[ . 1 . 2]" 1
434 1 25 HIS H 1 28 ARG HB3 4.950 . 5.100 4.850 4.637 5.049 . 0 0 "[ . 1 . 2]" 1
435 1 25 HIS H 1 40 ILE HG13 5.500 . 5.660 5.078 4.863 5.267 . 0 0 "[ . 1 . 2]" 1
436 1 25 HIS H 1 42 ILE MD 4.650 . 4.790 4.103 3.850 4.365 . 0 0 "[ . 1 . 2]" 1
437 1 25 HIS HA 1 25 HIS HB3 2.990 . 3.080 2.670 2.622 2.760 . 0 0 "[ . 1 . 2]" 1
438 1 25 HIS HA 1 25 HIS HD2 5.130 . 5.280 4.692 4.607 4.784 . 0 0 "[ . 1 . 2]" 1
439 1 25 HIS HA 1 28 ARG HE 4.350 . 4.480 4.114 3.717 4.499 0.019 10 0 "[ . 1 . 2]" 1
440 1 25 HIS HA 1 28 ARG HG3 5.430 . 5.590 5.125 4.740 5.509 . 0 0 "[ . 1 . 2]" 1
441 1 25 HIS HB3 1 26 HIS H 5.420 . 5.580 3.746 3.557 3.882 . 0 0 "[ . 1 . 2]" 1
442 1 25 HIS HD2 1 26 HIS HA 4.740 . 4.880 4.859 4.590 4.967 0.087 4 0 "[ . 1 . 2]" 1
443 1 25 HIS HD2 1 26 HIS HE1 3.770 . 3.880 3.708 3.316 3.898 0.018 14 0 "[ . 1 . 2]" 1
444 1 25 HIS HE1 1 26 HIS HA 4.170 . 4.300 4.331 4.168 4.390 0.090 4 0 "[ . 1 . 2]" 1
445 1 26 HIS H 1 27 LEU H 3.420 . 3.520 2.758 2.657 2.815 . 0 0 "[ . 1 . 2]" 1
446 1 26 HIS HA 1 26 HIS HD2 3.260 . 3.360 2.828 2.623 3.185 . 0 0 "[ . 1 . 2]" 1
447 1 26 HIS HA 1 27 LEU HA 5.130 . 5.280 4.772 4.750 4.804 . 0 0 "[ . 1 . 2]" 1
448 1 26 HIS HA 1 76 VAL QG 3.800 . 3.910 3.797 3.426 3.958 0.048 16 0 "[ . 1 . 2]" 1
449 1 26 HIS HA 1 77 ASN H 5.190 . 5.350 4.980 4.476 5.372 0.022 13 0 "[ . 1 . 2]" 1
450 1 26 HIS HA 1 77 ASN HA 5.450 . 5.610 4.913 4.511 5.259 . 0 0 "[ . 1 . 2]" 1
451 1 26 HIS HA 1 77 ASN QB 4.600 . 4.740 4.313 3.958 4.745 0.005 16 0 "[ . 1 . 2]" 1
452 1 26 HIS HB3 1 26 HIS HD2 3.280 . 3.380 2.957 2.801 3.057 . 0 0 "[ . 1 . 2]" 1
453 1 26 HIS HB3 1 76 VAL QG 3.630 . 3.740 2.482 2.153 2.799 . 0 0 "[ . 1 . 2]" 1
454 1 26 HIS HB3 1 77 ASN H 5.330 . 5.490 4.218 3.625 4.640 . 0 0 "[ . 1 . 2]" 1
455 1 26 HIS HB3 1 77 ASN HA 5.070 . 5.220 4.271 3.832 4.662 . 0 0 "[ . 1 . 2]" 1
456 1 26 HIS HB3 1 77 ASN HB2 4.740 . 4.880 2.631 2.271 2.943 . 0 0 "[ . 1 . 2]" 1
457 1 26 HIS HB3 1 77 ASN QB 4.050 . 4.170 2.603 2.256 2.914 . 0 0 "[ . 1 . 2]" 1
458 1 26 HIS HD2 1 76 VAL QG 4.220 . 4.350 4.261 3.725 4.414 0.064 12 0 "[ . 1 . 2]" 1
459 1 26 HIS HD2 1 77 ASN H 5.090 . 5.240 4.487 3.818 4.922 . 0 0 "[ . 1 . 2]" 1
460 1 26 HIS HD2 1 77 ASN HA 3.900 . 4.020 3.177 2.608 3.648 . 0 0 "[ . 1 . 2]" 1
461 1 26 HIS HD2 1 77 ASN QB 2.930 . 3.020 2.895 2.414 3.110 0.090 6 0 "[ . 1 . 2]" 1
462 1 27 LEU H 1 27 LEU QD 3.030 . 3.120 2.285 1.888 3.029 . 0 0 "[ . 1 . 2]" 1
463 1 27 LEU H 1 28 ARG H 2.930 . 3.020 2.751 2.669 2.843 . 0 0 "[ . 1 . 2]" 1
464 1 27 LEU H 1 28 ARG HB3 4.930 . 5.080 4.803 4.660 4.907 . 0 0 "[ . 1 . 2]" 1
465 1 27 LEU H 1 29 ASP H 4.520 . 4.660 4.291 4.120 4.478 . 0 0 "[ . 1 . 2]" 1
466 1 27 LEU H 1 30 TYR H 4.900 . 5.050 5.018 4.882 5.105 0.055 10 0 "[ . 1 . 2]" 1
467 1 27 LEU H 1 57 VAL MG2 5.260 . 5.420 4.907 4.749 5.143 . 0 0 "[ . 1 . 2]" 1
468 1 27 LEU H 1 76 VAL QG 3.490 . 3.590 3.523 3.147 3.644 0.054 18 0 "[ . 1 . 2]" 1
469 1 27 LEU HA 1 27 LEU HG 4.230 . 4.360 3.247 2.470 3.611 . 0 0 "[ . 1 . 2]" 1
470 1 27 LEU HA 1 27 LEU MD1 4.040 . 4.160 2.590 1.849 3.869 . 0 0 "[ . 1 . 2]" 1
471 1 27 LEU HA 1 27 LEU MD2 4.040 . 4.160 3.081 2.018 3.818 . 0 0 "[ . 1 . 2]" 1
472 1 27 LEU HA 1 27 LEU QD 2.880 . 2.970 2.043 1.842 2.730 . 0 0 "[ . 1 . 2]" 1
473 1 27 LEU HA 1 29 ASP H 5.410 . 5.570 4.584 4.403 4.821 . 0 0 "[ . 1 . 2]" 1
474 1 27 LEU HA 1 30 TYR H 3.780 . 3.890 3.709 3.578 3.898 0.008 2 0 "[ . 1 . 2]" 1
475 1 27 LEU HA 1 30 TYR HB3 4.590 . 4.730 3.170 2.817 3.369 . 0 0 "[ . 1 . 2]" 1
476 1 27 LEU HA 1 30 TYR QD 5.020 . 5.170 4.186 3.607 4.577 . 0 0 "[ . 1 . 2]" 1
477 1 27 LEU HA 1 31 PHE H 4.180 . 4.310 4.099 3.939 4.245 . 0 0 "[ . 1 . 2]" 1
478 1 27 LEU HA 1 31 PHE QD 3.790 . 3.900 3.183 2.822 3.488 . 0 0 "[ . 1 . 2]" 1
479 1 27 LEU HA 1 31 PHE QE 4.310 . 4.440 3.178 2.995 3.538 . 0 0 "[ . 1 . 2]" 1
480 1 27 LEU HA 1 76 VAL MG1 4.330 . 4.460 2.787 1.922 3.941 . 0 0 "[ . 1 . 2]" 1
481 1 27 LEU HA 1 76 VAL MG2 4.330 . 4.460 2.911 1.790 3.625 0.010 5 0 "[ . 1 . 2]" 1
482 1 27 LEU HA 1 76 VAL QG 3.310 . 3.410 2.168 1.785 2.510 0.015 5 0 "[ . 1 . 2]" 1
483 1 27 LEU HB3 1 27 LEU MD1 3.370 . 3.470 2.699 2.343 3.199 . 0 0 "[ . 1 . 2]" 1
484 1 27 LEU HB3 1 27 LEU MD2 3.370 . 3.470 2.742 2.294 3.133 . 0 0 "[ . 1 . 2]" 1
485 1 27 LEU HB3 1 27 LEU QD 2.900 . 2.990 2.371 2.106 2.569 . 0 0 "[ . 1 . 2]" 1
486 1 27 LEU HB3 1 28 ARG HA 4.650 . 4.790 4.164 3.942 4.490 . 0 0 "[ . 1 . 2]" 1
487 1 27 LEU HB3 1 29 ASP H 5.500 . 5.660 5.570 5.306 5.711 0.051 13 0 "[ . 1 . 2]" 1
488 1 27 LEU HB3 1 31 PHE H 5.120 . 5.270 4.782 4.641 4.941 . 0 0 "[ . 1 . 2]" 1
489 1 27 LEU HB3 1 31 PHE QD 4.110 . 4.230 2.300 2.148 2.461 . 0 0 "[ . 1 . 2]" 1
490 1 27 LEU HB3 1 40 ILE MG 3.620 . 3.730 3.138 2.818 3.476 . 0 0 "[ . 1 . 2]" 1
491 1 27 LEU HB3 1 57 VAL MG2 4.610 . 4.750 2.070 1.902 2.337 . 0 0 "[ . 1 . 2]" 1
492 1 27 LEU HG 1 31 PHE QE 4.960 . 5.110 3.376 1.805 4.870 . 0 0 "[ . 1 . 2]" 1
493 1 27 LEU MD1 1 31 PHE QD 4.680 . 4.820 3.839 3.081 4.831 0.011 20 0 "[ . 1 . 2]" 1
494 1 27 LEU MD1 1 31 PHE QE 4.660 . 4.800 2.670 1.786 4.178 0.014 2 0 "[ . 1 . 2]" 1
495 1 27 LEU MD2 1 31 PHE QD 4.680 . 4.820 4.296 3.624 4.872 0.052 3 0 "[ . 1 . 2]" 1
496 1 27 LEU MD2 1 31 PHE QE 4.660 . 4.800 3.421 1.882 4.580 . 0 0 "[ . 1 . 2]" 1
497 1 27 LEU QD 1 30 TYR HB3 5.100 . 5.250 4.233 3.877 4.804 . 0 0 "[ . 1 . 2]" 1
498 1 27 LEU QD 1 30 TYR QD 4.620 . 4.760 4.374 3.605 4.870 0.110 19 0 "[ . 1 . 2]" 1
499 1 27 LEU QD 1 31 PHE HZ 4.460 . 4.590 3.743 3.214 4.617 0.027 15 0 "[ . 1 . 2]" 1
500 1 27 LEU QD 1 31 PHE QD 4.020 . 4.140 3.424 3.041 3.691 . 0 0 "[ . 1 . 2]" 1
501 1 27 LEU QD 1 31 PHE QE 3.320 . 3.420 2.142 1.785 3.075 0.015 2 0 "[ . 1 . 2]" 1
502 1 27 LEU QD 1 40 ILE HA 5.080 . 5.230 4.699 4.334 5.076 . 0 0 "[ . 1 . 2]" 1
503 1 27 LEU QD 1 42 ILE HA 4.600 . 4.740 4.149 3.491 4.518 . 0 0 "[ . 1 . 2]" 1
504 1 27 LEU QD 1 55 ALA HA 4.840 . 4.990 4.472 4.186 4.816 . 0 0 "[ . 1 . 2]" 1
505 1 27 LEU QD 1 55 ALA MB 2.830 . 2.910 2.104 1.783 2.393 0.017 16 0 "[ . 1 . 2]" 1
506 1 27 LEU QD 1 56 PHE H 4.010 . 4.130 4.107 3.771 4.264 0.134 10 0 "[ . 1 . 2]" 1
507 1 27 LEU QD 1 57 VAL MG1 5.120 . 5.270 4.112 3.747 4.515 . 0 0 "[ . 1 . 2]" 1
508 1 27 LEU QD 1 76 VAL HB 3.880 . 4.000 3.510 3.082 4.008 0.008 12 0 "[ . 1 . 2]" 1
509 1 27 LEU QD 1 76 VAL QG 2.770 . 2.850 1.792 1.721 1.999 0.079 4 0 "[ . 1 . 2]" 1
510 1 27 LEU QD 1 77 ASN H 5.140 . 5.290 5.198 4.845 5.368 0.078 1 0 "[ . 1 . 2]" 1
511 1 28 ARG H 1 28 ARG HB3 2.870 . 2.960 2.404 2.325 2.461 . 0 0 "[ . 1 . 2]" 1
512 1 28 ARG H 1 28 ARG HE 4.610 . 4.750 4.488 4.304 4.687 . 0 0 "[ . 1 . 2]" 1
513 1 28 ARG H 1 29 ASP H 3.130 . 3.220 2.795 2.678 2.880 . 0 0 "[ . 1 . 2]" 1
514 1 28 ARG H 1 29 ASP QB 4.870 . 5.020 4.529 4.416 4.749 . 0 0 "[ . 1 . 2]" 1
515 1 28 ARG H 1 30 TYR H 4.340 . 4.470 4.161 4.073 4.280 . 0 0 "[ . 1 . 2]" 1
516 1 28 ARG H 1 37 ILE MD 4.120 . 4.240 4.177 4.003 4.293 0.053 20 0 "[ . 1 . 2]" 1
517 1 28 ARG H 1 40 ILE HG13 3.280 . 3.380 2.956 2.701 3.243 . 0 0 "[ . 1 . 2]" 1
518 1 28 ARG H 1 57 VAL MG2 4.670 . 4.810 4.431 4.182 4.661 . 0 0 "[ . 1 . 2]" 1
519 1 28 ARG HA 1 28 ARG HD2 4.110 . 4.230 4.374 4.220 4.612 0.382 19 0 "[ . 1 . 2]" 1
520 1 28 ARG HA 1 28 ARG HE 4.740 . 4.880 4.326 3.953 4.619 . 0 0 "[ . 1 . 2]" 1
521 1 28 ARG HA 1 28 ARG HG3 3.540 . 3.650 2.681 2.581 2.759 . 0 0 "[ . 1 . 2]" 1
522 1 28 ARG HA 1 29 ASP HA 4.870 . 5.020 4.811 4.747 4.870 . 0 0 "[ . 1 . 2]" 1
523 1 28 ARG HA 1 30 TYR H 4.220 . 4.350 4.102 3.942 4.230 . 0 0 "[ . 1 . 2]" 1
524 1 28 ARG HA 1 31 PHE HB3 4.540 . 4.680 4.688 4.526 4.733 0.053 4 0 "[ . 1 . 2]" 1
525 1 28 ARG HA 1 31 PHE QD 4.350 . 4.480 3.722 3.475 4.057 . 0 0 "[ . 1 . 2]" 1
526 1 28 ARG HA 1 32 GLU H 3.520 . 3.630 3.661 3.611 3.695 0.065 1 0 "[ . 1 . 2]" 1
527 1 28 ARG HA 1 32 GLU HA 5.020 . 5.170 4.993 4.841 5.088 . 0 0 "[ . 1 . 2]" 1
528 1 28 ARG HA 1 32 GLU HG3 5.210 . 5.370 5.189 5.006 5.284 . 0 0 "[ . 1 . 2]" 1
529 1 28 ARG HA 1 37 ILE MD 2.970 . 3.060 1.959 1.786 2.065 0.014 5 0 "[ . 1 . 2]" 1
530 1 28 ARG HA 1 37 ILE MG 3.830 . 3.940 3.305 3.216 3.421 . 0 0 "[ . 1 . 2]" 1
531 1 28 ARG HA 1 40 ILE HG13 3.840 . 3.960 3.785 3.577 3.963 0.003 7 0 "[ . 1 . 2]" 1
532 1 28 ARG HA 1 40 ILE MD 3.070 . 3.160 2.530 2.363 2.690 . 0 0 "[ . 1 . 2]" 1
533 1 28 ARG HA 1 40 ILE MG 4.930 . 5.080 4.632 4.503 4.770 . 0 0 "[ . 1 . 2]" 1
534 1 28 ARG HA 1 57 VAL MG1 4.160 . 4.280 3.502 3.406 3.706 . 0 0 "[ . 1 . 2]" 1
535 1 28 ARG HB3 1 28 ARG HE 3.800 . 3.910 2.842 2.438 3.134 . 0 0 "[ . 1 . 2]" 1
536 1 28 ARG HB3 1 29 ASP H 3.410 . 3.510 2.608 2.458 2.813 . 0 0 "[ . 1 . 2]" 1
537 1 28 ARG HB3 1 30 TYR H 5.220 . 5.380 4.926 4.824 5.026 . 0 0 "[ . 1 . 2]" 1
538 1 28 ARG HB3 1 37 ILE MG 5.100 . 5.250 4.838 4.625 5.044 . 0 0 "[ . 1 . 2]" 1
539 1 28 ARG HB3 1 40 ILE HG12 4.300 . 4.430 4.332 3.934 4.475 0.045 3 0 "[ . 1 . 2]" 1
540 1 28 ARG HB3 1 40 ILE MD 3.750 . 3.860 3.723 3.555 3.860 . 3 0 "[ . 1 . 2]" 1
541 1 28 ARG HB3 1 40 ILE MG 4.470 . 4.600 4.669 4.632 4.738 0.138 5 0 "[ . 1 . 2]" 1
542 1 28 ARG HB3 1 57 VAL MG1 5.340 . 5.500 5.533 5.433 5.600 0.100 14 0 "[ . 1 . 2]" 1
543 1 28 ARG HD2 1 37 ILE MD 4.000 . 4.120 3.104 2.867 3.350 . 0 0 "[ . 1 . 2]" 1
544 1 28 ARG HD2 1 37 ILE MG 4.660 . 4.800 3.662 3.513 4.006 . 0 0 "[ . 1 . 2]" 1
545 1 28 ARG HD2 1 40 ILE MD 3.960 . 4.080 4.241 3.951 4.535 0.455 5 0 "[ . 1 . 2]" 1
546 1 28 ARG HE 1 29 ASP H 5.470 . 5.630 5.402 5.185 5.649 0.019 20 0 "[ . 1 . 2]" 1
547 1 28 ARG HE 1 37 ILE HB 5.500 . 5.660 4.781 4.345 5.177 . 0 0 "[ . 1 . 2]" 1
548 1 28 ARG HE 1 37 ILE MD 4.140 . 4.260 4.202 3.938 4.345 0.085 1 0 "[ . 1 . 2]" 1
549 1 28 ARG HE 1 39 VAL HA 5.150 . 5.300 4.955 4.048 5.328 0.028 7 0 "[ . 1 . 2]" 1
550 1 28 ARG HE 1 40 ILE H 5.380 . 5.540 4.651 3.924 5.183 . 0 0 "[ . 1 . 2]" 1
551 1 28 ARG HE 1 40 ILE HB 5.500 . 5.660 4.483 3.977 4.991 . 0 0 "[ . 1 . 2]" 1
552 1 28 ARG HE 1 40 ILE HG12 3.550 . 3.660 2.738 1.976 3.223 . 0 0 "[ . 1 . 2]" 1
553 1 28 ARG HE 1 28 ARG HG3 3.810 . 3.920 3.626 3.584 3.791 . 0 0 "[ . 1 . 2]" 1
554 1 28 ARG HG3 1 29 ASP H 4.410 . 4.540 3.799 3.606 4.124 . 0 0 "[ . 1 . 2]" 1
555 1 28 ARG HG3 1 29 ASP HA 4.770 . 4.910 3.770 3.505 4.156 . 0 0 "[ . 1 . 2]" 1
556 1 28 ARG HG3 1 32 GLU H 4.640 . 4.780 3.934 3.832 4.055 . 0 0 "[ . 1 . 2]" 1
557 1 28 ARG HG3 1 32 GLU HB3 5.030 . 5.180 2.521 2.406 2.698 . 0 0 "[ . 1 . 2]" 1
558 1 28 ARG HG3 1 32 GLU HG3 4.730 . 4.870 4.405 4.245 4.627 . 0 0 "[ . 1 . 2]" 1
559 1 28 ARG HG3 1 37 ILE MD 3.580 . 3.690 2.220 1.818 2.500 . 0 0 "[ . 1 . 2]" 1
560 1 28 ARG HG3 1 37 ILE MG 4.590 . 4.730 4.049 3.852 4.251 . 0 0 "[ . 1 . 2]" 1
561 1 28 ARG HG3 1 40 ILE MD 4.130 . 4.250 3.994 3.807 4.211 . 0 0 "[ . 1 . 2]" 1
562 1 29 ASP H 1 29 ASP HB2 3.700 . 3.810 2.550 2.315 2.663 . 0 0 "[ . 1 . 2]" 1
563 1 29 ASP H 1 29 ASP QB 3.060 . 3.150 2.248 2.206 2.288 . 0 0 "[ . 1 . 2]" 1
564 1 29 ASP H 1 30 TYR H 2.950 . 3.040 2.695 2.607 2.795 . 0 0 "[ . 1 . 2]" 1
565 1 29 ASP H 1 30 TYR HB3 4.910 . 5.060 4.917 4.813 5.062 0.002 3 0 "[ . 1 . 2]" 1
566 1 29 ASP H 1 31 PHE H 4.140 . 4.260 4.273 4.186 4.305 0.045 17 0 "[ . 1 . 2]" 1
567 1 29 ASP H 1 32 GLU H 5.340 . 5.500 4.837 4.754 4.924 . 0 0 "[ . 1 . 2]" 1
568 1 29 ASP H 1 32 GLU HB3 5.490 . 5.650 5.226 5.114 5.327 . 0 0 "[ . 1 . 2]" 1
569 1 29 ASP H 1 32 GLU HG3 5.030 . 5.180 5.160 4.982 5.283 0.103 7 0 "[ . 1 . 2]" 1
570 1 29 ASP H 1 37 ILE MD 4.780 . 4.920 4.573 4.414 4.709 . 0 0 "[ . 1 . 2]" 1
571 1 29 ASP HA 1 32 GLU H 4.310 . 4.440 4.055 3.820 4.300 . 0 0 "[ . 1 . 2]" 1
572 1 29 ASP HA 1 32 GLU HB3 4.300 . 4.430 4.000 3.810 4.174 . 0 0 "[ . 1 . 2]" 1
573 1 29 ASP HA 1 32 GLU HG3 4.450 . 4.580 3.168 2.914 3.510 . 0 0 "[ . 1 . 2]" 1
574 1 29 ASP QB 1 30 TYR H 3.100 . 3.190 2.816 2.719 2.944 . 0 0 "[ . 1 . 2]" 1
575 1 29 ASP QB 1 30 TYR HA 5.330 . 5.490 4.263 3.934 4.377 . 0 0 "[ . 1 . 2]" 1
576 1 29 ASP QB 1 31 PHE H 5.340 . 5.500 4.916 4.812 5.072 . 0 0 "[ . 1 . 2]" 1
577 1 30 TYR H 1 30 TYR HB3 2.650 . 2.730 2.425 2.356 2.501 . 0 0 "[ . 1 . 2]" 1
578 1 30 TYR H 1 31 PHE H 2.610 . 2.690 2.397 2.321 2.477 . 0 0 "[ . 1 . 2]" 1
579 1 30 TYR H 1 32 GLU H 3.670 . 3.780 3.788 3.713 3.841 0.061 14 0 "[ . 1 . 2]" 1
580 1 30 TYR H 1 32 GLU HB3 5.500 . 5.660 5.458 5.288 5.556 . 0 0 "[ . 1 . 2]" 1
581 1 30 TYR H 1 33 GLN H 5.370 . 5.530 5.440 5.273 5.569 0.039 19 0 "[ . 1 . 2]" 1
582 1 30 TYR H 1 33 GLN HE21 5.400 . 5.560 4.940 4.682 5.568 0.008 2 0 "[ . 1 . 2]" 1
583 1 30 TYR H 1 37 ILE MD 4.790 . 4.930 4.626 4.462 4.759 . 0 0 "[ . 1 . 2]" 1
584 1 30 TYR H 1 76 VAL QG 3.970 . 4.090 3.668 3.375 4.107 0.017 2 0 "[ . 1 . 2]" 1
585 1 30 TYR HA 1 30 TYR QD 3.260 . 3.360 2.508 2.338 2.668 . 0 0 "[ . 1 . 2]" 1
586 1 30 TYR HA 1 30 TYR QE 5.190 . 5.350 4.582 4.501 4.628 . 0 0 "[ . 1 . 2]" 1
587 1 30 TYR HA 1 33 GLN H 4.270 . 4.400 4.338 4.233 4.419 0.019 20 0 "[ . 1 . 2]" 1
588 1 30 TYR HA 1 33 GLN HE21 3.250 . 3.350 2.370 2.079 3.029 . 0 0 "[ . 1 . 2]" 1
589 1 30 TYR HA 1 33 GLN HE22 3.510 . 3.620 2.990 2.670 3.445 . 0 0 "[ . 1 . 2]" 1
590 1 30 TYR HA 1 76 VAL HA 5.410 . 5.570 5.372 5.198 5.627 0.057 15 0 "[ . 1 . 2]" 1
591 1 30 TYR HA 1 76 VAL QG 4.990 . 5.140 4.397 4.118 4.865 . 0 0 "[ . 1 . 2]" 1
592 1 30 TYR HB3 1 31 PHE H 3.020 . 3.110 2.667 2.500 2.872 . 0 0 "[ . 1 . 2]" 1
593 1 30 TYR HB3 1 31 PHE QD 5.110 . 5.260 3.885 3.687 4.036 . 0 0 "[ . 1 . 2]" 1
594 1 30 TYR HB3 1 31 PHE QE 5.000 . 5.150 4.308 4.094 4.437 . 0 0 "[ . 1 . 2]" 1
595 1 30 TYR HB3 1 33 GLN HE21 5.170 . 5.330 4.697 4.451 5.262 . 0 0 "[ . 1 . 2]" 1
596 1 30 TYR HB3 1 33 GLN HE22 5.310 . 5.470 5.385 5.176 5.542 0.072 8 0 "[ . 1 . 2]" 1
597 1 30 TYR HB3 1 76 VAL HA 4.090 . 4.210 4.015 3.683 4.234 0.024 13 0 "[ . 1 . 2]" 1
598 1 30 TYR HB3 1 76 VAL MG1 4.380 . 4.510 3.351 2.459 4.549 0.039 6 0 "[ . 1 . 2]" 1
599 1 30 TYR HB3 1 76 VAL MG2 4.380 . 4.510 2.719 2.314 3.134 . 0 0 "[ . 1 . 2]" 1
600 1 30 TYR HB3 1 76 VAL QG 3.670 . 3.780 2.480 2.307 2.815 . 0 0 "[ . 1 . 2]" 1
601 1 30 TYR QD 1 31 PHE HA 4.390 . 4.520 3.834 3.408 4.216 . 0 0 "[ . 1 . 2]" 1
602 1 30 TYR QD 1 31 PHE HZ 4.490 . 4.620 3.445 3.211 3.730 . 0 0 "[ . 1 . 2]" 1
603 1 30 TYR QD 1 31 PHE QD 3.860 . 3.980 3.323 2.985 3.581 . 0 0 "[ . 1 . 2]" 1
604 1 30 TYR QD 1 31 PHE QE 3.890 . 4.010 3.063 2.745 3.190 . 0 0 "[ . 1 . 2]" 1
605 1 30 TYR QD 1 34 TYR QD 4.930 . 5.080 4.778 4.417 5.117 0.037 9 0 "[ . 1 . 2]" 1
606 1 30 TYR QD 1 74 HIS HB3 4.920 . 5.070 3.863 3.547 4.095 . 0 0 "[ . 1 . 2]" 1
607 1 30 TYR QD 1 76 VAL HA 4.330 . 4.460 3.713 3.422 3.906 . 0 0 "[ . 1 . 2]" 1
608 1 30 TYR QD 1 76 VAL MG1 4.020 . 4.140 3.631 3.272 3.795 . 0 0 "[ . 1 . 2]" 1
609 1 30 TYR QD 1 76 VAL MG2 4.020 . 4.140 2.561 1.891 3.269 . 0 0 "[ . 1 . 2]" 1
610 1 30 TYR QD 1 76 VAL QG 3.450 . 3.550 2.486 1.883 3.025 . 0 0 "[ . 1 . 2]" 1
611 1 30 TYR QE 1 31 PHE QD 4.330 . 4.460 3.854 3.523 4.196 . 0 0 "[ . 1 . 2]" 1
612 1 30 TYR QE 1 31 PHE QE 3.250 . 3.350 2.681 2.498 2.916 . 0 0 "[ . 1 . 2]" 1
613 1 30 TYR QE 1 68 ILE MD 5.500 . 5.660 5.059 4.755 5.339 . 0 0 "[ . 1 . 2]" 1
614 1 30 TYR QE 1 68 ILE MG 4.560 . 4.700 4.168 3.880 4.380 . 0 0 "[ . 1 . 2]" 1
615 1 30 TYR QE 1 74 HIS HA 4.250 . 4.380 4.065 3.746 4.412 0.032 10 0 "[ . 1 . 2]" 1
616 1 30 TYR QE 1 74 HIS HB3 3.270 . 3.370 2.057 1.758 2.477 0.042 6 0 "[ . 1 . 2]" 1
617 1 30 TYR QE 1 74 HIS HE1 4.380 . 4.510 4.071 3.613 4.523 0.013 9 0 "[ . 1 . 2]" 1
618 1 30 TYR QE 1 75 THR HA 5.500 . 5.660 5.261 4.947 5.643 . 0 0 "[ . 1 . 2]" 1
619 1 30 TYR QE 1 75 THR HB 5.150 . 5.300 3.784 2.946 4.443 . 0 0 "[ . 1 . 2]" 1
620 1 30 TYR QE 1 76 VAL HA 4.760 . 4.900 4.550 4.186 4.773 . 0 0 "[ . 1 . 2]" 1
621 1 30 TYR QE 1 76 VAL MG1 4.920 . 5.070 4.708 4.066 5.089 0.019 7 0 "[ . 1 . 2]" 1
622 1 30 TYR QE 1 76 VAL MG2 4.920 . 5.070 3.645 2.866 4.747 . 0 0 "[ . 1 . 2]" 1
623 1 30 TYR QE 1 76 VAL QG 3.730 . 3.840 3.376 2.845 3.957 0.117 18 0 "[ . 1 . 2]" 1
624 1 30 TYR QE 1 83 VAL QG 4.440 . 4.570 3.887 3.580 4.252 . 0 0 "[ . 1 . 2]" 1
625 1 31 PHE H 1 32 GLU HB3 5.240 . 5.400 4.734 4.619 4.890 . 0 0 "[ . 1 . 2]" 1
626 1 31 PHE H 1 33 GLN H 4.750 . 4.890 4.282 4.049 4.461 . 0 0 "[ . 1 . 2]" 1
627 1 31 PHE H 1 33 GLN HE21 4.840 . 4.990 4.574 4.378 5.014 0.024 2 0 "[ . 1 . 2]" 1
628 1 31 PHE H 1 33 GLN QG 5.140 . 5.290 4.924 4.550 5.104 . 0 0 "[ . 1 . 2]" 1
629 1 31 PHE H 1 34 TYR H 5.400 . 5.560 5.396 5.266 5.528 . 0 0 "[ . 1 . 2]" 1
630 1 31 PHE HA 1 31 PHE QD 3.190 . 3.290 2.246 2.136 2.360 . 0 0 "[ . 1 . 2]" 1
631 1 31 PHE HA 1 31 PHE QE 4.520 . 4.660 4.324 4.274 4.364 . 0 0 "[ . 1 . 2]" 1
632 1 31 PHE HA 1 34 TYR HA 5.500 . 5.660 5.537 5.383 5.680 0.020 5 0 "[ . 1 . 2]" 1
633 1 31 PHE HA 1 34 TYR HB2 4.940 . 5.090 3.448 3.130 3.644 . 0 0 "[ . 1 . 2]" 1
634 1 31 PHE HA 1 34 TYR QD 3.030 . 3.120 1.882 1.753 2.088 0.047 19 0 "[ . 1 . 2]" 1
635 1 31 PHE HA 1 34 TYR QE 3.270 . 3.370 3.072 2.787 3.370 . 0 0 "[ . 1 . 2]" 1
636 1 31 PHE HA 1 37 ILE MD 4.280 . 4.410 3.916 3.831 4.015 . 0 0 "[ . 1 . 2]" 1
637 1 31 PHE HA 1 59 PHE HZ 4.610 . 4.750 4.160 4.026 4.312 . 0 0 "[ . 1 . 2]" 1
638 1 31 PHE HA 1 59 PHE QE 4.520 . 4.660 4.087 3.929 4.173 . 0 0 "[ . 1 . 2]" 1
639 1 31 PHE HA 1 68 ILE MD 4.090 . 4.210 3.309 3.024 3.629 . 0 0 "[ . 1 . 2]" 1
640 1 31 PHE HA 1 68 ILE MG 5.140 . 5.290 5.057 4.775 5.251 . 0 0 "[ . 1 . 2]" 1
641 1 31 PHE HB3 1 37 ILE MD 3.390 . 3.490 2.864 2.739 3.014 . 0 0 "[ . 1 . 2]" 1
642 1 31 PHE HB3 1 37 ILE MG 4.550 . 4.690 4.645 4.465 4.704 0.014 5 0 "[ . 1 . 2]" 1
643 1 31 PHE HB3 1 57 VAL MG1 4.300 . 4.430 2.947 2.699 3.130 . 0 0 "[ . 1 . 2]" 1
644 1 31 PHE HB3 1 57 VAL MG2 5.140 . 5.290 4.301 4.029 4.559 . 0 0 "[ . 1 . 2]" 1
645 1 31 PHE HB3 1 59 PHE HZ 4.080 . 4.200 1.902 1.763 2.059 0.037 13 0 "[ . 1 . 2]" 1
646 1 31 PHE HB3 1 59 PHE QD 4.620 . 4.760 4.440 4.345 4.535 . 0 0 "[ . 1 . 2]" 1
647 1 31 PHE HB3 1 59 PHE QE 4.110 . 4.230 2.160 2.056 2.303 . 0 0 "[ . 1 . 2]" 1
648 1 31 PHE HB3 1 68 ILE MD 4.910 . 5.060 2.659 2.466 2.917 . 0 0 "[ . 1 . 2]" 1
649 1 31 PHE HZ 1 57 VAL MG2 4.800 . 4.940 4.121 3.973 4.279 . 0 0 "[ . 1 . 2]" 1
650 1 31 PHE HZ 1 68 ILE MG 4.030 . 4.150 3.667 3.462 3.830 . 0 0 "[ . 1 . 2]" 1
651 1 31 PHE HZ 1 74 HIS HB3 4.970 . 5.120 3.905 3.313 4.486 . 0 0 "[ . 1 . 2]" 1
652 1 31 PHE HZ 1 76 VAL MG1 5.360 . 5.520 4.321 3.631 5.004 . 0 0 "[ . 1 . 2]" 1
653 1 31 PHE HZ 1 76 VAL MG2 5.360 . 5.520 3.471 2.582 5.053 . 0 0 "[ . 1 . 2]" 1
654 1 31 PHE HZ 1 76 VAL QG 4.710 . 4.850 3.084 2.559 3.998 . 0 0 "[ . 1 . 2]" 1
655 1 31 PHE HZ 1 83 VAL HB 4.800 . 4.940 4.373 3.693 4.952 0.012 13 0 "[ . 1 . 2]" 1
656 1 31 PHE HZ 1 83 VAL MG1 3.790 . 3.900 2.915 2.045 3.659 . 0 0 "[ . 1 . 2]" 1
657 1 31 PHE HZ 1 83 VAL MG2 3.790 . 3.900 2.890 1.911 3.979 0.079 15 0 "[ . 1 . 2]" 1
658 1 31 PHE HZ 1 83 VAL QG 3.030 . 3.120 2.194 1.896 2.405 . 0 0 "[ . 1 . 2]" 1
659 1 31 PHE QD 1 34 TYR QD 3.360 . 3.460 3.101 2.759 3.405 . 0 0 "[ . 1 . 2]" 1
660 1 31 PHE QD 1 34 TYR QE 3.590 . 3.700 3.447 3.166 3.734 0.034 11 0 "[ . 1 . 2]" 1
661 1 31 PHE QD 1 37 ILE MD 3.930 . 4.050 3.592 3.384 3.798 . 0 0 "[ . 1 . 2]" 1
662 1 31 PHE QD 1 57 VAL HA 5.200 . 5.360 5.363 5.288 5.391 0.031 12 0 "[ . 1 . 2]" 1
663 1 31 PHE QD 1 57 VAL HB 5.150 . 5.300 4.023 3.878 4.190 . 0 0 "[ . 1 . 2]" 1
664 1 31 PHE QD 1 57 VAL MG1 3.540 . 3.650 2.649 2.370 2.829 . 0 0 "[ . 1 . 2]" 1
665 1 31 PHE QD 1 57 VAL MG2 3.270 . 3.370 2.134 1.959 2.257 . 0 0 "[ . 1 . 2]" 1
666 1 31 PHE QD 1 59 PHE HZ 3.950 . 4.070 3.171 3.058 3.296 . 0 0 "[ . 1 . 2]" 1
667 1 31 PHE QD 1 59 PHE QD 5.500 . 5.660 5.713 5.667 5.776 0.116 10 0 "[ . 1 . 2]" 1
668 1 31 PHE QD 1 68 ILE HA 5.500 . 5.660 5.016 4.888 5.232 . 0 0 "[ . 1 . 2]" 1
669 1 31 PHE QD 1 68 ILE HB 5.190 . 5.350 4.887 4.667 5.017 . 0 0 "[ . 1 . 2]" 1
670 1 31 PHE QD 1 68 ILE MD 3.210 . 3.310 2.151 1.876 2.266 . 0 0 "[ . 1 . 2]" 1
671 1 31 PHE QD 1 68 ILE QG 4.190 . 4.320 2.677 2.541 2.855 . 0 0 "[ . 1 . 2]" 1
672 1 31 PHE QD 1 68 ILE MG 3.670 . 3.780 3.157 2.934 3.300 . 0 0 "[ . 1 . 2]" 1
673 1 31 PHE QD 1 76 VAL MG1 5.500 . 5.660 4.729 4.253 5.406 . 0 0 "[ . 1 . 2]" 1
674 1 31 PHE QD 1 76 VAL MG2 5.500 . 5.660 4.217 3.913 4.580 . 0 0 "[ . 1 . 2]" 1
675 1 31 PHE QD 1 76 VAL QG 4.650 . 4.790 3.933 3.621 4.346 . 0 0 "[ . 1 . 2]" 1
676 1 31 PHE QE 1 34 TYR QD 5.300 . 5.460 4.954 4.686 5.210 . 0 0 "[ . 1 . 2]" 1
677 1 31 PHE QE 1 34 TYR QE 4.700 . 4.840 4.333 4.085 4.621 . 0 0 "[ . 1 . 2]" 1
678 1 31 PHE QE 1 57 VAL MG2 3.690 . 3.800 2.453 2.271 2.632 . 0 0 "[ . 1 . 2]" 1
679 1 31 PHE QE 1 68 ILE HA 4.860 . 5.010 4.520 4.236 4.785 . 0 0 "[ . 1 . 2]" 1
680 1 31 PHE QE 1 68 ILE HB 5.500 . 5.660 4.910 4.701 5.147 . 0 0 "[ . 1 . 2]" 1
681 1 31 PHE QE 1 68 ILE HG12 5.250 . 5.410 3.323 3.061 3.700 . 0 0 "[ . 1 . 2]" 1
682 1 31 PHE QE 1 68 ILE HG13 5.250 . 5.410 4.947 4.719 5.274 . 0 0 "[ . 1 . 2]" 1
683 1 31 PHE QE 1 68 ILE QG 4.570 . 4.710 3.274 3.024 3.631 . 0 0 "[ . 1 . 2]" 1
684 1 31 PHE QE 1 68 ILE MG 2.770 . 2.850 2.279 2.061 2.499 . 0 0 "[ . 1 . 2]" 1
685 1 31 PHE QE 1 74 HIS HE1 4.500 . 4.640 3.751 3.134 4.380 . 0 0 "[ . 1 . 2]" 1
686 1 31 PHE QE 1 76 VAL MG1 4.570 . 4.710 3.680 3.340 4.014 . 0 0 "[ . 1 . 2]" 1
687 1 31 PHE QE 1 76 VAL MG2 4.570 . 4.710 3.216 2.600 3.865 . 0 0 "[ . 1 . 2]" 1
688 1 31 PHE QE 1 76 VAL QG 4.010 . 4.130 2.982 2.535 3.418 . 0 0 "[ . 1 . 2]" 1
689 1 31 PHE QE 1 83 VAL HB 4.860 . 5.010 4.544 4.123 4.895 . 0 0 "[ . 1 . 2]" 1
690 1 31 PHE QE 1 83 VAL MG1 3.820 . 3.930 3.189 2.777 3.633 . 0 0 "[ . 1 . 2]" 1
691 1 31 PHE QE 1 83 VAL MG2 3.820 . 3.930 3.139 2.681 3.697 . 0 0 "[ . 1 . 2]" 1
692 1 31 PHE QE 1 83 VAL QG 3.160 . 3.250 2.764 2.429 2.972 . 0 0 "[ . 1 . 2]" 1
693 1 32 GLU H 1 32 GLU HG3 3.060 . 3.150 2.174 2.022 2.277 . 0 0 "[ . 1 . 2]" 1
694 1 32 GLU H 1 33 GLN H 2.870 . 2.960 2.605 2.511 2.707 . 0 0 "[ . 1 . 2]" 1
695 1 32 GLU H 1 33 GLN HA 5.430 . 5.590 5.211 5.131 5.294 . 0 0 "[ . 1 . 2]" 1
696 1 32 GLU H 1 33 GLN QG 4.820 . 4.960 3.956 3.485 4.366 . 0 0 "[ . 1 . 2]" 1
697 1 32 GLU H 1 34 TYR H 4.310 . 4.440 4.122 4.035 4.241 . 0 0 "[ . 1 . 2]" 1
698 1 32 GLU H 1 35 GLY H 5.060 . 5.210 5.013 4.942 5.102 . 0 0 "[ . 1 . 2]" 1
699 1 32 GLU H 1 37 ILE HG12 4.710 . 4.850 4.821 4.627 4.879 0.029 11 0 "[ . 1 . 2]" 1
700 1 32 GLU HA 1 32 GLU HG3 3.730 . 3.840 3.629 3.587 3.659 . 0 0 "[ . 1 . 2]" 1
701 1 32 GLU HA 1 35 GLY HA3 5.500 . 5.660 5.290 5.018 5.519 . 0 0 "[ . 1 . 2]" 1
702 1 32 GLU HA 1 36 LYS HA 4.410 . 4.540 4.358 3.730 4.584 0.044 18 0 "[ . 1 . 2]" 1
703 1 32 GLU HA 1 37 ILE HB 4.570 . 4.710 4.427 4.241 4.591 . 0 0 "[ . 1 . 2]" 1
704 1 32 GLU HA 1 37 ILE HG12 4.120 . 4.240 3.536 3.352 3.664 . 0 0 "[ . 1 . 2]" 1
705 1 32 GLU HA 1 37 ILE HG13 3.810 . 3.920 2.314 2.180 2.454 . 0 0 "[ . 1 . 2]" 1
706 1 32 GLU HA 1 37 ILE MD 3.210 . 3.310 2.502 2.405 2.732 . 0 0 "[ . 1 . 2]" 1
707 1 32 GLU HA 1 59 PHE QE 4.360 . 4.490 3.894 3.612 4.185 . 0 0 "[ . 1 . 2]" 1
708 1 32 GLU HB3 1 33 GLN H 4.220 . 4.350 4.133 4.097 4.216 . 0 0 "[ . 1 . 2]" 1
709 1 32 GLU HB3 1 37 ILE H 4.920 . 5.070 4.768 4.262 5.036 . 0 0 "[ . 1 . 2]" 1
710 1 32 GLU HB3 1 37 ILE HG12 5.350 . 5.510 4.711 4.458 4.943 . 0 0 "[ . 1 . 2]" 1
711 1 32 GLU HB3 1 37 ILE HG13 5.290 . 5.450 3.405 3.039 3.711 . 0 0 "[ . 1 . 2]" 1
712 1 32 GLU HB3 1 37 ILE MD 3.800 . 3.910 2.386 2.204 2.593 . 0 0 "[ . 1 . 2]" 1
713 1 32 GLU HB3 1 37 ILE MG 5.390 . 5.550 4.850 4.616 5.168 . 0 0 "[ . 1 . 2]" 1
714 1 32 GLU HG3 1 33 GLN H 3.540 . 3.650 2.446 2.282 2.637 . 0 0 "[ . 1 . 2]" 1
715 1 32 GLU HG3 1 33 GLN HA 4.970 . 5.120 4.274 4.024 4.682 . 0 0 "[ . 1 . 2]" 1
716 1 32 GLU HG3 1 33 GLN HE21 4.570 . 4.710 4.320 4.210 4.726 0.016 18 0 "[ . 1 . 2]" 1
717 1 32 GLU HG3 1 33 GLN HE22 5.500 . 5.660 5.732 5.695 5.776 0.116 10 0 "[ . 1 . 2]" 1
718 1 32 GLU HG3 1 37 ILE HG13 5.500 . 5.660 5.516 5.240 5.700 0.040 19 0 "[ . 1 . 2]" 1
719 1 32 GLU HG3 1 37 ILE MD 3.880 . 4.000 3.992 3.902 4.035 0.035 7 0 "[ . 1 . 2]" 1
720 1 33 GLN H 1 33 GLN HA 2.850 . 2.940 2.840 2.811 2.869 . 0 0 "[ . 1 . 2]" 1
721 1 33 GLN H 1 33 GLN HE22 4.940 . 5.090 4.844 4.796 4.905 . 0 0 "[ . 1 . 2]" 1
722 1 33 GLN H 1 33 GLN QB 2.680 . 2.760 2.494 2.372 2.591 . 0 0 "[ . 1 . 2]" 1
723 1 33 GLN H 1 33 GLN QG 2.790 . 2.870 2.096 1.840 2.354 . 0 0 "[ . 1 . 2]" 1
724 1 33 GLN H 1 34 TYR H 2.860 . 2.950 2.518 2.439 2.623 . 0 0 "[ . 1 . 2]" 1
725 1 33 GLN HA 1 33 GLN HE21 5.090 . 5.240 4.922 4.520 5.062 . 0 0 "[ . 1 . 2]" 1
726 1 33 GLN HA 1 33 GLN QG 3.520 . 3.630 2.819 2.454 3.335 . 0 0 "[ . 1 . 2]" 1
727 1 33 GLN HA 1 34 TYR HA 5.120 . 5.270 4.672 4.629 4.705 . 0 0 "[ . 1 . 2]" 1
728 1 33 GLN HA 1 34 TYR QD 5.230 . 5.390 5.021 4.834 5.264 . 0 0 "[ . 1 . 2]" 1
729 1 33 GLN HE21 1 34 TYR H 4.520 . 4.660 4.655 4.432 4.731 0.071 1 0 "[ . 1 . 2]" 1
730 1 33 GLN HE21 1 34 TYR QE 3.550 . 3.660 3.357 3.091 3.508 . 0 0 "[ . 1 . 2]" 1
731 1 33 GLN HE22 1 34 TYR QE 3.840 . 3.960 4.012 3.966 4.048 0.088 14 0 "[ . 1 . 2]" 1
732 1 33 GLN QB 1 33 GLN HE21 3.490 . 3.590 2.604 1.732 2.829 0.068 2 0 "[ . 1 . 2]" 1
733 1 33 GLN QB 1 33 GLN HE22 3.740 . 3.850 3.502 3.173 3.586 . 0 0 "[ . 1 . 2]" 1
734 1 33 GLN QB 1 34 TYR H 3.610 . 3.720 3.147 2.670 3.721 0.001 8 0 "[ . 1 . 2]" 1
735 1 33 GLN QB 1 34 TYR QE 5.200 . 5.360 3.976 3.377 4.938 . 0 0 "[ . 1 . 2]" 1
736 1 33 GLN HE21 1 33 GLN QG 2.930 . 3.020 2.263 2.174 2.731 . 0 0 "[ . 1 . 2]" 1
737 1 33 GLN HE22 1 33 GLN QG 3.510 . 3.620 3.304 3.271 3.463 . 0 0 "[ . 1 . 2]" 1
738 1 33 GLN QG 1 34 TYR H 4.160 . 4.280 3.490 2.467 4.183 . 0 0 "[ . 1 . 2]" 1
739 1 33 GLN QG 1 34 TYR QD 4.640 . 4.780 3.645 2.204 4.635 . 0 0 "[ . 1 . 2]" 1
740 1 33 GLN QG 1 34 TYR QE 5.020 . 5.170 4.155 2.871 5.197 0.027 18 0 "[ . 1 . 2]" 1
741 1 34 TYR H 1 35 GLY H 2.660 . 2.740 2.340 2.254 2.431 . 0 0 "[ . 1 . 2]" 1
742 1 34 TYR HA 1 34 TYR QD 3.300 . 3.400 3.075 2.971 3.164 . 0 0 "[ . 1 . 2]" 1
743 1 34 TYR HA 1 64 SER HA 5.240 . 5.400 4.929 4.588 5.278 . 0 0 "[ . 1 . 2]" 1
744 1 34 TYR HA 1 68 ILE MD 5.270 . 5.430 4.873 4.572 5.100 . 0 0 "[ . 1 . 2]" 1
745 1 34 TYR HB2 1 59 PHE QE 4.890 . 5.040 3.561 3.422 3.686 . 0 0 "[ . 1 . 2]" 1
746 1 34 TYR HB2 1 64 SER HA 5.000 . 5.150 4.617 4.134 5.004 . 0 0 "[ . 1 . 2]" 1
747 1 34 TYR HB2 1 67 LYS QG 5.310 . 5.470 5.049 4.093 5.691 0.221 9 0 "[ . 1 . 2]" 1
748 1 34 TYR HB2 1 68 ILE HG12 5.320 . 5.480 3.916 3.553 4.114 . 0 0 "[ . 1 . 2]" 1
749 1 34 TYR HB2 1 68 ILE HG13 5.320 . 5.480 3.639 3.414 3.902 . 0 0 "[ . 1 . 2]" 1
750 1 34 TYR HB2 1 68 ILE MD 4.010 . 4.130 2.370 2.044 2.577 . 0 0 "[ . 1 . 2]" 1
751 1 34 TYR HB2 1 68 ILE QG 4.660 . 4.800 3.346 3.114 3.562 . 0 0 "[ . 1 . 2]" 1
752 1 34 TYR HB2 1 68 ILE MG 5.500 . 5.660 5.295 4.960 5.454 . 0 0 "[ . 1 . 2]" 1
753 1 34 TYR QD 1 37 ILE MD 4.940 . 5.090 4.975 4.803 5.107 0.017 14 0 "[ . 1 . 2]" 1
754 1 34 TYR QD 1 59 PHE HZ 5.500 . 5.660 5.101 4.823 5.430 . 0 0 "[ . 1 . 2]" 1
755 1 34 TYR QD 1 59 PHE QE 4.860 . 5.010 4.665 4.451 4.932 . 0 0 "[ . 1 . 2]" 1
756 1 34 TYR QD 1 64 SER HA 4.990 . 5.140 5.006 4.554 5.246 0.106 20 0 "[ . 1 . 2]" 1
757 1 34 TYR QD 1 67 LYS HA 4.660 . 4.800 4.416 4.231 4.756 . 0 0 "[ . 1 . 2]" 1
758 1 34 TYR QD 1 67 LYS HG2 4.710 . 4.850 3.426 2.851 3.822 . 0 0 "[ . 1 . 2]" 1
759 1 34 TYR QD 1 67 LYS QD 4.690 . 4.830 3.448 2.553 4.592 . 0 0 "[ . 1 . 2]" 1
760 1 34 TYR QD 1 67 LYS QE 4.710 . 4.850 4.615 4.295 4.998 0.148 16 0 "[ . 1 . 2]" 1
761 1 34 TYR QD 1 67 LYS QG 4.140 . 4.260 3.004 2.159 3.515 . 0 0 "[ . 1 . 2]" 1
762 1 34 TYR QD 1 68 ILE HA 4.330 . 4.460 4.249 3.932 4.441 . 0 0 "[ . 1 . 2]" 1
763 1 34 TYR QD 1 68 ILE HG12 4.140 . 4.260 3.328 3.047 3.501 . 0 0 "[ . 1 . 2]" 1
764 1 34 TYR QD 1 68 ILE HG13 4.140 . 4.260 2.970 2.767 3.176 . 0 0 "[ . 1 . 2]" 1
765 1 34 TYR QD 1 68 ILE MD 3.590 . 3.700 3.210 2.965 3.425 . 0 0 "[ . 1 . 2]" 1
766 1 34 TYR QD 1 68 ILE QG 3.520 . 3.630 2.773 2.581 2.939 . 0 0 "[ . 1 . 2]" 1
767 1 34 TYR QD 1 68 ILE MG 4.710 . 4.850 4.708 4.497 4.852 0.002 14 0 "[ . 1 . 2]" 1
768 1 34 TYR QD 1 74 HIS HE1 4.860 . 5.010 4.613 4.306 4.955 . 0 0 "[ . 1 . 2]" 1
769 1 34 TYR QE 1 67 LYS HA 4.980 . 5.130 4.873 4.640 5.126 . 0 0 "[ . 1 . 2]" 1
770 1 34 TYR QE 1 67 LYS QG 5.320 . 5.480 4.597 3.965 4.954 . 0 0 "[ . 1 . 2]" 1
771 1 34 TYR QE 1 68 ILE HA 3.680 . 3.790 3.706 3.460 3.860 0.070 16 0 "[ . 1 . 2]" 1
772 1 34 TYR QE 1 68 ILE HG12 3.980 . 4.100 3.554 3.428 3.692 . 0 0 "[ . 1 . 2]" 1
773 1 34 TYR QE 1 68 ILE HG13 3.980 . 4.100 4.051 3.889 4.135 0.035 11 0 "[ . 1 . 2]" 1
774 1 34 TYR QE 1 68 ILE MD 4.310 . 4.440 4.207 3.982 4.395 . 0 0 "[ . 1 . 2]" 1
775 1 34 TYR QE 1 68 ILE MG 4.480 . 4.610 4.518 4.336 4.628 0.018 3 0 "[ . 1 . 2]" 1
776 1 34 TYR QE 1 70 ILE MD 4.540 . 4.680 4.628 4.330 4.742 0.062 13 0 "[ . 1 . 2]" 1
777 1 34 TYR QE 1 71 GLN QE 5.340 . 5.500 4.731 4.260 5.296 . 0 0 "[ . 1 . 2]" 1
778 1 34 TYR QE 1 74 HIS HE1 3.290 . 3.390 3.231 2.914 3.424 0.034 9 0 "[ . 1 . 2]" 1
779 1 35 GLY H 1 35 GLY HA3 2.930 . 3.020 2.831 2.766 2.874 . 0 0 "[ . 1 . 2]" 1
780 1 35 GLY H 1 36 LYS H 4.580 . 4.720 4.350 4.274 4.392 . 0 0 "[ . 1 . 2]" 1
781 1 35 GLY H 1 37 ILE H 5.500 . 5.660 5.493 5.310 5.702 0.042 14 0 "[ . 1 . 2]" 1
782 1 35 GLY HA3 1 36 LYS H 3.220 . 3.320 2.390 2.189 2.618 . 0 0 "[ . 1 . 2]" 1
783 1 35 GLY HA3 1 36 LYS HA 5.060 . 5.210 4.517 4.423 4.608 . 0 0 "[ . 1 . 2]" 1
784 1 35 GLY HA3 1 59 PHE HB3 5.490 . 5.650 5.097 4.721 5.492 . 0 0 "[ . 1 . 2]" 1
785 1 35 GLY HA3 1 59 PHE QD 4.310 . 4.440 4.188 3.850 4.441 0.001 16 0 "[ . 1 . 2]" 1
786 1 35 GLY HA3 1 59 PHE QE 5.090 . 5.240 4.946 4.724 5.225 . 0 0 "[ . 1 . 2]" 1
787 1 36 LYS H 1 36 LYS HG2 4.590 . 4.730 4.022 2.279 4.524 . 0 0 "[ . 1 . 2]" 1
788 1 36 LYS H 1 36 LYS QB 2.820 . 2.900 2.217 2.083 2.546 . 0 0 "[ . 1 . 2]" 1
789 1 36 LYS H 1 36 LYS QE 5.500 . 5.660 5.504 4.393 5.861 0.201 11 0 "[ . 1 . 2]" 1
790 1 36 LYS H 1 36 LYS QG 3.870 . 3.990 3.624 2.249 3.895 . 0 0 "[ . 1 . 2]" 1
791 1 36 LYS H 1 37 ILE H 4.670 . 4.810 4.428 4.338 4.544 . 0 0 "[ . 1 . 2]" 1
792 1 36 LYS H 1 37 ILE HA 5.500 . 5.660 5.287 5.130 5.427 . 0 0 "[ . 1 . 2]" 1
793 1 36 LYS HA 1 36 LYS HG2 3.950 . 4.070 3.615 3.317 3.947 . 0 0 "[ . 1 . 2]" 1
794 1 36 LYS HA 1 36 LYS QD 4.380 . 4.510 3.661 2.276 4.528 0.018 5 0 "[ . 1 . 2]" 1
795 1 36 LYS HA 1 36 LYS QE 4.570 . 4.710 4.266 1.842 4.760 0.050 10 0 "[ . 1 . 2]" 1
796 1 36 LYS HA 1 36 LYS QG 3.200 . 3.300 2.861 2.543 3.332 0.032 14 0 "[ . 1 . 2]" 1
797 1 36 LYS HA 1 37 ILE H 2.400 . 2.470 2.098 2.074 2.129 . 0 0 "[ . 1 . 2]" 1
798 1 36 LYS HA 1 37 ILE HA 4.820 . 4.960 4.364 4.316 4.392 . 0 0 "[ . 1 . 2]" 1
799 1 36 LYS HA 1 37 ILE HB 5.490 . 5.650 4.628 4.553 4.694 . 0 0 "[ . 1 . 2]" 1
800 1 36 LYS HA 1 37 ILE HG12 4.730 . 4.870 4.867 4.718 4.912 0.042 18 0 "[ . 1 . 2]" 1
801 1 36 LYS HA 1 37 ILE HG13 4.630 . 4.770 3.665 3.482 3.725 . 0 0 "[ . 1 . 2]" 1
802 1 36 LYS HA 1 37 ILE MD 4.870 . 5.020 5.050 4.894 5.098 0.078 18 0 "[ . 1 . 2]" 1
803 1 36 LYS HA 1 37 ILE MG 5.500 . 5.660 5.424 5.374 5.442 . 0 0 "[ . 1 . 2]" 1
804 1 36 LYS HA 1 59 PHE QD 5.210 . 5.370 4.716 4.558 5.068 . 0 0 "[ . 1 . 2]" 1
805 1 36 LYS QE 1 36 LYS HG2 3.680 . 3.790 2.611 2.272 3.303 . 0 0 "[ . 1 . 2]" 1
806 1 36 LYS HG2 1 60 ASP H 4.340 . 4.470 3.529 2.874 4.475 0.005 12 0 "[ . 1 . 2]" 1
807 1 36 LYS HG2 1 60 ASP HB2 4.330 . 4.460 2.974 2.295 4.389 . 0 0 "[ . 1 . 2]" 1
808 1 36 LYS QB 1 37 ILE H 4.020 . 4.140 3.686 3.027 3.854 . 0 0 "[ . 1 . 2]" 1
809 1 36 LYS QD 1 60 ASP HB2 3.640 . 3.750 3.490 3.098 3.881 0.131 11 0 "[ . 1 . 2]" 1
810 1 36 LYS QE 1 37 ILE H 4.900 . 5.050 4.381 2.230 5.055 0.005 7 0 "[ . 1 . 2]" 1
811 1 36 LYS QE 1 38 GLU HA 4.830 . 4.970 3.841 2.608 4.829 . 0 0 "[ . 1 . 2]" 1
812 1 36 LYS QE 1 38 GLU HG2 5.500 . 5.660 3.809 2.901 5.096 . 0 0 "[ . 1 . 2]" 1
813 1 36 LYS QE 1 60 ASP H 5.180 . 5.340 4.267 3.878 4.549 . 0 0 "[ . 1 . 2]" 1
814 1 36 LYS QE 1 36 LYS QG 3.150 . 3.240 2.163 2.089 2.341 . 0 0 "[ . 1 . 2]" 1
815 1 36 LYS QG 1 37 ILE H 3.600 . 3.710 3.252 2.822 3.855 0.145 6 0 "[ . 1 . 2]" 1
816 1 36 LYS QG 1 37 ILE MG 5.340 . 5.500 5.131 4.904 5.511 0.011 5 0 "[ . 1 . 2]" 1
817 1 36 LYS QG 1 38 GLU H 5.010 . 5.160 4.485 4.184 4.911 . 0 0 "[ . 1 . 2]" 1
818 1 36 LYS QG 1 38 GLU HA 4.940 . 5.090 4.304 3.908 5.143 0.053 6 0 "[ . 1 . 2]" 1
819 1 36 LYS QG 1 38 GLU HG2 5.340 . 5.500 3.827 3.404 4.424 . 0 0 "[ . 1 . 2]" 1
820 1 36 LYS QG 1 60 ASP H 3.710 . 3.820 2.887 2.694 3.009 . 0 0 "[ . 1 . 2]" 1
821 1 36 LYS QG 1 60 ASP HA 5.340 . 5.500 4.405 4.074 4.646 . 0 0 "[ . 1 . 2]" 1
822 1 36 LYS QG 1 60 ASP QB 3.180 . 3.280 1.954 1.674 2.163 0.126 11 0 "[ . 1 . 2]" 1
823 1 36 LYS QG 1 61 ASP H 5.340 . 5.500 4.238 3.435 4.752 . 0 0 "[ . 1 . 2]" 1
824 1 37 ILE H 1 37 ILE HG13 2.580 . 2.660 2.350 2.149 2.494 . 0 0 "[ . 1 . 2]" 1
825 1 37 ILE H 1 38 GLU H 4.540 . 4.680 4.500 4.444 4.539 . 0 0 "[ . 1 . 2]" 1
826 1 37 ILE H 1 60 ASP H 5.140 . 5.290 4.706 4.456 5.142 . 0 0 "[ . 1 . 2]" 1
827 1 37 ILE HA 1 37 ILE HG12 3.530 . 3.640 2.556 2.509 2.629 . 0 0 "[ . 1 . 2]" 1
828 1 37 ILE HA 1 37 ILE HG13 3.480 . 3.580 3.145 3.101 3.195 . 0 0 "[ . 1 . 2]" 1
829 1 37 ILE HA 1 37 ILE MD 4.030 . 4.150 3.826 3.800 3.863 . 0 0 "[ . 1 . 2]" 1
830 1 37 ILE HA 1 37 ILE MG 3.000 . 3.090 2.351 2.315 2.388 . 0 0 "[ . 1 . 2]" 1
831 1 37 ILE HA 1 38 GLU HA 5.010 . 5.160 4.372 4.343 4.411 . 0 0 "[ . 1 . 2]" 1
832 1 37 ILE HA 1 40 ILE MD 4.710 . 4.850 4.810 4.745 4.851 0.001 14 0 "[ . 1 . 2]" 1
833 1 37 ILE HA 1 57 VAL MG1 4.370 . 4.500 4.058 3.920 4.265 . 0 0 "[ . 1 . 2]" 1
834 1 37 ILE HA 1 58 THR MG 5.500 . 5.660 5.328 5.090 5.567 . 0 0 "[ . 1 . 2]" 1
835 1 37 ILE HA 1 59 PHE HA 3.030 . 3.120 2.046 1.933 2.350 . 0 0 "[ . 1 . 2]" 1
836 1 37 ILE HA 1 59 PHE QD 3.430 . 3.530 2.644 2.447 2.798 . 0 0 "[ . 1 . 2]" 1
837 1 37 ILE HA 1 59 PHE QE 4.450 . 4.580 4.147 4.011 4.286 . 0 0 "[ . 1 . 2]" 1
838 1 37 ILE HA 1 60 ASP H 3.120 . 3.210 3.046 2.833 3.231 0.021 14 0 "[ . 1 . 2]" 1
839 1 37 ILE HB 1 37 ILE MD 2.890 . 2.980 2.441 2.410 2.459 . 0 0 "[ . 1 . 2]" 1
840 1 37 ILE HB 1 38 GLU HA 5.500 . 5.660 4.934 4.785 5.035 . 0 0 "[ . 1 . 2]" 1
841 1 37 ILE HB 1 57 VAL MG1 4.310 . 4.440 4.422 4.309 4.480 0.040 8 0 "[ . 1 . 2]" 1
842 1 37 ILE HB 1 59 PHE HA 5.500 . 5.660 4.925 4.820 5.100 . 0 0 "[ . 1 . 2]" 1
843 1 37 ILE HB 1 59 PHE QD 5.190 . 5.350 4.831 4.683 5.049 . 0 0 "[ . 1 . 2]" 1
844 1 37 ILE HG12 1 57 VAL MG1 3.950 . 4.070 3.137 2.948 3.344 . 0 0 "[ . 1 . 2]" 1
845 1 37 ILE HG12 1 59 PHE QD 4.610 . 4.750 2.494 2.387 2.696 . 0 0 "[ . 1 . 2]" 1
846 1 37 ILE HG12 1 59 PHE QE 4.610 . 4.750 2.178 2.043 2.273 . 0 0 "[ . 1 . 2]" 1
847 1 37 ILE HG13 1 57 VAL MG1 4.820 . 4.960 4.406 4.225 4.556 . 0 0 "[ . 1 . 2]" 1
848 1 37 ILE HG13 1 59 PHE QD 4.110 . 4.230 3.469 3.374 3.831 . 0 0 "[ . 1 . 2]" 1
849 1 37 ILE HG13 1 59 PHE QE 3.890 . 4.010 3.307 3.203 3.523 . 0 0 "[ . 1 . 2]" 1
850 1 37 ILE MD 1 57 VAL MG1 2.990 . 3.080 2.465 2.304 2.650 . 0 0 "[ . 1 . 2]" 1
851 1 37 ILE MD 1 59 PHE HZ 4.530 . 4.670 3.882 3.702 4.070 . 0 0 "[ . 1 . 2]" 1
852 1 37 ILE MD 1 59 PHE QD 4.560 . 4.700 4.025 3.939 4.178 . 0 0 "[ . 1 . 2]" 1
853 1 37 ILE MD 1 59 PHE QE 3.940 . 4.060 2.864 2.753 3.020 . 0 0 "[ . 1 . 2]" 1
854 1 37 ILE HG12 1 37 ILE MG 3.140 . 3.230 2.414 2.395 2.425 . 0 0 "[ . 1 . 2]" 1
855 1 37 ILE HG13 1 37 ILE MG 3.330 . 3.430 3.200 3.197 3.204 . 0 0 "[ . 1 . 2]" 1
856 1 37 ILE MD 1 37 ILE MG 2.550 . 2.630 1.899 1.871 1.936 . 0 0 "[ . 1 . 2]" 1
857 1 37 ILE MG 1 38 GLU HA 4.540 . 4.680 3.903 3.811 4.012 . 0 0 "[ . 1 . 2]" 1
858 1 37 ILE MG 1 38 GLU HB2 4.920 . 5.070 3.866 3.696 3.982 . 0 0 "[ . 1 . 2]" 1
859 1 37 ILE MG 1 38 GLU HG2 5.500 . 5.660 4.937 4.720 5.434 . 0 0 "[ . 1 . 2]" 1
860 1 37 ILE MG 1 40 ILE HA 4.260 . 4.390 4.023 3.893 4.163 . 0 0 "[ . 1 . 2]" 1
861 1 37 ILE MG 1 40 ILE HG12 3.950 . 4.070 3.158 2.902 3.383 . 0 0 "[ . 1 . 2]" 1
862 1 37 ILE MG 1 40 ILE HG13 4.320 . 4.450 3.834 3.646 3.956 . 0 0 "[ . 1 . 2]" 1
863 1 37 ILE MG 1 40 ILE MD 2.560 . 2.640 1.774 1.736 1.826 0.064 5 0 "[ . 1 . 2]" 1
864 1 37 ILE MG 1 57 VAL HA 3.890 . 4.010 3.910 3.705 4.029 0.019 1 0 "[ . 1 . 2]" 1
865 1 37 ILE MG 1 57 VAL MG1 2.630 . 2.710 2.162 2.100 2.242 . 0 0 "[ . 1 . 2]" 1
866 1 37 ILE MG 1 58 THR HA 4.650 . 4.790 4.692 4.562 4.772 . 0 0 "[ . 1 . 2]" 1
867 1 37 ILE MG 1 58 THR HB 4.280 . 4.410 4.096 3.986 4.264 . 0 0 "[ . 1 . 2]" 1
868 1 37 ILE MG 1 58 THR MG 4.600 . 4.740 4.601 4.460 4.710 . 0 0 "[ . 1 . 2]" 1
869 1 37 ILE MG 1 59 PHE HA 3.450 . 3.550 3.120 2.978 3.276 . 0 0 "[ . 1 . 2]" 1
870 1 37 ILE MG 1 59 PHE HB3 5.060 . 5.210 4.802 4.637 4.974 . 0 0 "[ . 1 . 2]" 1
871 1 37 ILE MG 1 59 PHE HZ 4.580 . 4.720 4.592 4.390 4.731 0.011 6 0 "[ . 1 . 2]" 1
872 1 37 ILE MG 1 59 PHE QD 3.590 . 3.700 3.633 3.423 3.730 0.030 13 0 "[ . 1 . 2]" 1
873 1 37 ILE MG 1 59 PHE QE 4.460 . 4.590 3.802 3.620 3.910 . 0 0 "[ . 1 . 2]" 1
874 1 38 GLU H 1 38 GLU HG2 3.720 . 3.830 3.072 2.753 3.681 . 0 0 "[ . 1 . 2]" 1
875 1 38 GLU H 1 39 VAL H 2.900 . 2.990 2.795 2.709 2.868 . 0 0 "[ . 1 . 2]" 1
876 1 38 GLU H 1 58 THR HB 4.350 . 4.480 3.888 3.674 4.260 . 0 0 "[ . 1 . 2]" 1
877 1 38 GLU H 1 58 THR MG 4.030 . 4.150 3.781 3.489 3.959 . 0 0 "[ . 1 . 2]" 1
878 1 38 GLU H 1 59 PHE H 4.300 . 4.430 4.196 4.145 4.268 . 0 0 "[ . 1 . 2]" 1
879 1 38 GLU H 1 59 PHE HB3 4.330 . 4.460 4.462 4.356 4.512 0.052 10 0 "[ . 1 . 2]" 1
880 1 38 GLU H 1 60 ASP H 3.240 . 3.340 3.135 2.838 3.265 . 0 0 "[ . 1 . 2]" 1
881 1 38 GLU H 1 60 ASP QB 4.870 . 5.020 4.140 3.750 4.313 . 0 0 "[ . 1 . 2]" 1
882 1 38 GLU H 1 61 ASP H 5.210 . 5.370 5.357 5.033 5.451 0.081 4 0 "[ . 1 . 2]" 1
883 1 38 GLU HA 1 38 GLU HB2 2.910 . 3.000 2.998 2.986 3.008 0.008 9 0 "[ . 1 . 2]" 1
884 1 38 GLU HA 1 38 GLU HG2 3.720 . 3.830 2.520 2.257 2.735 . 0 0 "[ . 1 . 2]" 1
885 1 38 GLU HA 1 39 VAL QG 3.910 . 4.030 3.664 3.613 3.723 . 0 0 "[ . 1 . 2]" 1
886 1 38 GLU HA 1 58 THR HB 5.410 . 5.570 5.193 4.901 5.414 . 0 0 "[ . 1 . 2]" 1
887 1 38 GLU HA 1 58 THR MG 4.770 . 4.910 4.876 4.599 4.933 0.023 1 0 "[ . 1 . 2]" 1
888 1 38 GLU HA 1 59 PHE HA 5.210 . 5.370 4.666 4.560 4.744 . 0 0 "[ . 1 . 2]" 1
889 1 38 GLU HA 1 60 ASP H 4.380 . 4.510 4.450 4.237 4.555 0.045 1 0 "[ . 1 . 2]" 1
890 1 38 GLU HA 1 60 ASP HA 4.960 . 5.110 5.002 4.739 5.192 0.082 16 0 "[ . 1 . 2]" 1
891 1 38 GLU HA 1 60 ASP QB 4.230 . 4.360 3.707 3.300 4.058 . 0 0 "[ . 1 . 2]" 1
892 1 38 GLU HB2 1 39 VAL HA 5.190 . 5.350 4.895 4.818 4.967 . 0 0 "[ . 1 . 2]" 1
893 1 38 GLU HB2 1 39 VAL QG 3.620 . 3.730 3.111 3.023 3.353 . 0 0 "[ . 1 . 2]" 1
894 1 38 GLU HB2 1 58 THR HB 3.550 . 3.660 2.653 2.370 2.898 . 0 0 "[ . 1 . 2]" 1
895 1 38 GLU HB2 1 58 THR MG 3.100 . 3.190 2.264 1.942 2.375 . 0 0 "[ . 1 . 2]" 1
896 1 38 GLU HB2 1 59 PHE HA 5.500 . 5.660 3.423 3.125 3.632 . 0 0 "[ . 1 . 2]" 1
897 1 38 GLU HB2 1 60 ASP HA 4.870 . 5.020 4.211 3.985 4.308 . 0 0 "[ . 1 . 2]" 1
898 1 38 GLU HG2 1 58 THR HB 5.120 . 5.270 5.285 4.933 5.688 0.418 11 0 "[ . 1 . 2]" 1
899 1 38 GLU HG2 1 58 THR MG 3.810 . 3.920 4.009 3.826 4.308 0.388 9 0 "[ . 1 . 2]" 1
900 1 38 GLU HG2 1 59 PHE HA 5.440 . 5.600 3.834 3.281 4.878 . 0 0 "[ . 1 . 2]" 1
901 1 38 GLU HG2 1 60 ASP H 3.980 . 4.100 2.910 2.413 3.885 . 0 0 "[ . 1 . 2]" 1
902 1 38 GLU HG2 1 60 ASP HA 3.840 . 3.960 2.594 2.180 3.111 . 0 0 "[ . 1 . 2]" 1
903 1 38 GLU HG2 1 60 ASP HB2 4.600 . 4.740 2.137 1.820 2.533 . 0 0 "[ . 1 . 2]" 1
904 1 38 GLU HG2 1 60 ASP QB 3.880 . 4.000 2.121 1.813 2.512 . 0 0 "[ . 1 . 2]" 1
905 1 38 GLU HG2 1 61 ASP H 4.950 . 5.100 4.886 4.387 5.713 0.613 9 5 "[ . +1* . -**]" 1
906 1 39 VAL H 1 39 VAL HA 2.920 . 3.010 2.921 2.909 2.938 . 0 0 "[ . 1 . 2]" 1
907 1 39 VAL H 1 40 ILE HA 4.710 . 4.850 4.689 4.619 4.735 . 0 0 "[ . 1 . 2]" 1
908 1 39 VAL H 1 58 THR H 3.450 . 3.550 3.450 3.205 3.580 0.030 18 0 "[ . 1 . 2]" 1
909 1 39 VAL H 1 58 THR HB 2.690 . 2.770 2.074 1.844 2.418 . 0 0 "[ . 1 . 2]" 1
910 1 39 VAL H 1 58 THR MG 3.470 . 3.570 3.332 3.159 3.553 . 0 0 "[ . 1 . 2]" 1
911 1 39 VAL H 1 59 PHE H 5.070 . 5.220 5.109 5.009 5.211 . 0 0 "[ . 1 . 2]" 1
912 1 39 VAL HA 1 39 VAL HB 2.810 . 2.890 2.550 2.474 2.984 0.094 13 0 "[ . 1 . 2]" 1
913 1 39 VAL HA 1 40 ILE H 2.400 . 2.470 2.328 2.195 2.428 . 0 0 "[ . 1 . 2]" 1
914 1 39 VAL HB 1 40 ILE HA 5.230 . 5.390 4.452 4.268 4.583 . 0 0 "[ . 1 . 2]" 1
915 1 39 VAL HB 1 40 ILE HB 5.500 . 5.660 5.182 4.903 5.803 0.143 17 0 "[ . 1 . 2]" 1
916 1 39 VAL QG 1 58 THR MG 3.810 . 3.920 2.836 2.569 3.483 . 0 0 "[ . 1 . 2]" 1
917 1 40 ILE H 1 40 ILE HB 3.080 . 3.170 2.721 2.631 2.797 . 0 0 "[ . 1 . 2]" 1
918 1 40 ILE H 1 40 ILE HG12 2.450 . 2.520 2.480 2.259 2.568 0.048 5 0 "[ . 1 . 2]" 1
919 1 40 ILE H 1 58 THR H 4.800 . 4.940 4.913 4.833 4.973 0.033 2 0 "[ . 1 . 2]" 1
920 1 40 ILE HA 1 40 ILE HG12 3.950 . 4.070 3.201 3.126 3.285 . 0 0 "[ . 1 . 2]" 1
921 1 40 ILE HA 1 40 ILE HG13 4.020 . 4.140 3.815 3.791 3.854 . 0 0 "[ . 1 . 2]" 1
922 1 40 ILE HA 1 40 ILE MD 3.070 . 3.160 2.199 2.147 2.279 . 0 0 "[ . 1 . 2]" 1
923 1 40 ILE HA 1 40 ILE MG 2.980 . 3.070 2.255 2.201 2.306 . 0 0 "[ . 1 . 2]" 1
924 1 40 ILE HA 1 41 GLU HA 4.530 . 4.670 4.379 4.359 4.414 . 0 0 "[ . 1 . 2]" 1
925 1 40 ILE HA 1 41 GLU HG2 5.290 . 5.450 4.880 3.722 5.420 . 0 0 "[ . 1 . 2]" 1
926 1 40 ILE HA 1 41 GLU QG 4.420 . 4.550 3.813 3.599 4.056 . 0 0 "[ . 1 . 2]" 1
927 1 40 ILE HA 1 57 VAL H 5.260 . 5.420 5.157 5.006 5.302 . 0 0 "[ . 1 . 2]" 1
928 1 40 ILE HA 1 57 VAL MG1 3.850 . 3.970 3.512 3.266 3.719 . 0 0 "[ . 1 . 2]" 1
929 1 40 ILE HA 1 57 VAL MG2 3.850 . 3.970 3.646 3.304 3.926 . 0 0 "[ . 1 . 2]" 1
930 1 40 ILE HA 1 58 THR HB 4.850 . 5.000 4.771 4.578 5.010 0.010 14 0 "[ . 1 . 2]" 1
931 1 40 ILE HB 1 40 ILE HG12 2.910 . 3.000 2.473 2.448 2.497 . 0 0 "[ . 1 . 2]" 1
932 1 40 ILE HB 1 41 GLU HA 4.670 . 4.810 4.792 4.576 4.906 0.096 20 0 "[ . 1 . 2]" 1
933 1 40 ILE HB 1 57 VAL HA 5.140 . 5.290 5.192 5.082 5.294 0.004 13 0 "[ . 1 . 2]" 1
934 1 40 ILE HG12 1 57 VAL HA 5.320 . 5.480 4.915 4.646 5.065 . 0 0 "[ . 1 . 2]" 1
935 1 40 ILE HG12 1 57 VAL MG1 4.340 . 4.470 4.053 3.970 4.121 . 0 0 "[ . 1 . 2]" 1
936 1 40 ILE HG13 1 57 VAL HA 5.110 . 5.260 5.169 4.979 5.308 0.048 14 0 "[ . 1 . 2]" 1
937 1 40 ILE HG13 1 57 VAL MG1 3.860 . 3.980 4.059 4.038 4.083 0.103 1 0 "[ . 1 . 2]" 1
938 1 40 ILE HG13 1 57 VAL MG2 4.740 . 4.880 4.311 4.037 4.546 . 0 0 "[ . 1 . 2]" 1
939 1 40 ILE MD 1 57 VAL H 5.470 . 5.630 4.865 4.596 5.096 . 0 0 "[ . 1 . 2]" 1
940 1 40 ILE MD 1 57 VAL HB 4.910 . 5.060 3.985 3.881 4.062 . 0 0 "[ . 1 . 2]" 1
941 1 40 ILE MD 1 57 VAL MG1 2.910 . 3.000 1.736 1.695 1.763 0.105 12 0 "[ . 1 . 2]" 1
942 1 40 ILE MD 1 57 VAL MG2 3.190 . 3.290 2.231 2.024 2.425 . 0 0 "[ . 1 . 2]" 1
943 1 40 ILE MD 1 58 THR HB 5.220 . 5.380 4.775 4.612 5.068 . 0 0 "[ . 1 . 2]" 1
944 1 40 ILE MD 1 59 PHE QE 4.960 . 5.110 4.776 4.636 4.867 . 0 0 "[ . 1 . 2]" 1
945 1 40 ILE MG 1 41 GLU HA 4.470 . 4.600 4.140 3.798 4.374 . 0 0 "[ . 1 . 2]" 1
946 1 40 ILE MG 1 42 ILE HA 5.280 . 5.440 3.859 3.399 4.105 . 0 0 "[ . 1 . 2]" 1
947 1 40 ILE MG 1 42 ILE QG 3.920 . 4.040 2.661 2.365 2.966 . 0 0 "[ . 1 . 2]" 1
948 1 40 ILE MG 1 56 PHE H 3.840 . 3.960 3.819 3.543 4.011 0.051 13 0 "[ . 1 . 2]" 1
949 1 40 ILE MG 1 57 VAL MG1 3.400 . 3.500 3.274 3.060 3.509 0.009 10 0 "[ . 1 . 2]" 1
950 1 40 ILE MG 1 57 VAL MG2 2.820 . 2.900 2.281 1.901 2.612 . 0 0 "[ . 1 . 2]" 1
951 1 41 GLU H 1 41 GLU QG 3.900 . 4.020 2.527 2.119 2.908 . 0 0 "[ . 1 . 2]" 1
952 1 41 GLU H 1 42 ILE H 4.300 . 4.430 4.129 3.935 4.382 . 0 0 "[ . 1 . 2]" 1
953 1 41 GLU H 1 42 ILE HA 4.920 . 5.070 4.994 4.768 5.102 0.032 12 0 "[ . 1 . 2]" 1
954 1 41 GLU H 1 56 PHE H 3.520 . 3.630 3.466 3.168 3.670 0.040 19 0 "[ . 1 . 2]" 1
955 1 41 GLU H 1 56 PHE HA 5.000 . 5.150 4.916 4.754 5.042 . 0 0 "[ . 1 . 2]" 1
956 1 41 GLU H 1 56 PHE HB3 4.950 . 5.100 4.600 4.281 4.874 . 0 0 "[ . 1 . 2]" 1
957 1 41 GLU H 1 57 VAL HA 3.370 . 3.470 3.213 2.979 3.476 0.006 10 0 "[ . 1 . 2]" 1
958 1 41 GLU H 1 58 THR H 3.960 . 4.080 3.589 3.277 3.947 . 0 0 "[ . 1 . 2]" 1
959 1 41 GLU H 1 58 THR HB 5.500 . 5.660 5.209 4.810 5.666 0.006 3 0 "[ . 1 . 2]" 1
960 1 41 GLU HA 1 41 GLU HG2 3.900 . 4.020 2.633 2.469 3.145 . 0 0 "[ . 1 . 2]" 1
961 1 41 GLU HA 1 41 GLU QG 3.120 . 3.210 2.522 2.392 3.017 . 0 0 "[ . 1 . 2]" 1
962 1 41 GLU HA 1 42 ILE HA 4.850 . 5.000 4.442 4.369 4.470 . 0 0 "[ . 1 . 2]" 1
963 1 41 GLU HA 1 42 ILE HB 5.500 . 5.660 4.829 4.722 4.928 . 0 0 "[ . 1 . 2]" 1
964 1 41 GLU HA 1 42 ILE MD 5.080 . 5.230 5.086 4.891 5.218 . 0 0 "[ . 1 . 2]" 1
965 1 41 GLU HA 1 42 ILE QG 4.530 . 4.670 3.661 3.359 3.813 . 0 0 "[ . 1 . 2]" 1
966 1 42 ILE H 1 42 ILE HB 2.870 . 2.960 2.702 2.610 2.792 . 0 0 "[ . 1 . 2]" 1
967 1 42 ILE H 1 42 ILE HG12 3.300 . 3.400 3.254 3.090 3.375 . 0 0 "[ . 1 . 2]" 1
968 1 42 ILE H 1 42 ILE HG13 3.300 . 3.400 1.959 1.794 2.118 0.006 13 0 "[ . 1 . 2]" 1
969 1 42 ILE H 1 42 ILE QG 2.730 . 2.810 1.944 1.783 2.096 0.017 13 0 "[ . 1 . 2]" 1
970 1 42 ILE H 1 43 MET H 5.210 . 5.370 3.771 2.250 4.541 . 0 0 "[ . 1 . 2]" 1
971 1 42 ILE H 1 55 ALA MB 4.350 . 4.480 4.270 3.966 4.492 0.012 9 0 "[ . 1 . 2]" 1
972 1 42 ILE H 1 56 PHE H 4.920 . 5.070 4.700 4.546 4.792 . 0 0 "[ . 1 . 2]" 1
973 1 42 ILE HA 1 42 ILE MD 4.050 . 4.170 3.927 3.879 3.971 . 0 0 "[ . 1 . 2]" 1
974 1 42 ILE HA 1 42 ILE QG 3.390 . 3.490 2.589 2.524 2.668 . 0 0 "[ . 1 . 2]" 1
975 1 42 ILE HA 1 42 ILE MG 2.790 . 2.870 2.272 2.229 2.321 . 0 0 "[ . 1 . 2]" 1
976 1 42 ILE HA 1 55 ALA HA 3.360 . 3.460 2.931 2.637 3.169 . 0 0 "[ . 1 . 2]" 1
977 1 42 ILE HA 1 55 ALA MB 3.080 . 3.170 2.197 1.984 2.383 . 0 0 "[ . 1 . 2]" 1
978 1 42 ILE HA 1 56 PHE H 3.580 . 3.690 3.410 3.126 3.643 . 0 0 "[ . 1 . 2]" 1
979 1 42 ILE HB 1 42 ILE MD 3.040 . 3.130 2.382 2.350 2.416 . 0 0 "[ . 1 . 2]" 1
980 1 42 ILE HB 1 55 ALA MB 4.600 . 4.740 4.559 4.361 4.759 0.019 2 0 "[ . 1 . 2]" 1
981 1 42 ILE HG12 1 55 ALA MB 4.230 . 4.360 3.305 2.932 3.656 . 0 0 "[ . 1 . 2]" 1
982 1 42 ILE HG13 1 55 ALA MB 4.230 . 4.360 4.219 3.780 4.391 0.031 4 0 "[ . 1 . 2]" 1
983 1 42 ILE MD 1 51 LYS QG 4.920 . 5.070 3.609 2.485 4.722 . 0 0 "[ . 1 . 2]" 1
984 1 42 ILE QG 1 56 PHE H 5.340 . 5.500 4.767 4.488 5.113 . 0 0 "[ . 1 . 2]" 1
985 1 42 ILE MD 1 42 ILE MG 2.420 . 2.490 1.939 1.875 1.977 . 0 0 "[ . 1 . 2]" 1
986 1 42 ILE QG 1 42 ILE MG 3.190 . 3.290 2.289 2.264 2.320 . 0 0 "[ . 1 . 2]" 1
987 1 42 ILE MG 1 44 THR HA 5.300 . 5.460 4.163 3.331 4.718 . 0 0 "[ . 1 . 2]" 1
988 1 42 ILE MG 1 44 THR MG 3.480 . 3.580 2.816 2.300 3.651 0.071 10 0 "[ . 1 . 2]" 1
989 1 42 ILE MG 1 51 LYS HA 3.970 . 4.090 3.297 2.547 3.837 . 0 0 "[ . 1 . 2]" 1
990 1 42 ILE MG 1 51 LYS QG 2.890 . 2.980 2.413 1.762 2.980 0.038 10 0 "[ . 1 . 2]" 1
991 1 42 ILE MG 1 52 ARG H 4.880 . 5.030 3.909 2.317 4.749 . 0 0 "[ . 1 . 2]" 1
992 1 42 ILE MG 1 53 GLY H 5.310 . 5.470 4.543 3.794 5.543 0.073 8 0 "[ . 1 . 2]" 1
993 1 42 ILE MG 1 55 ALA HA 3.980 . 4.100 4.068 3.707 4.209 0.109 5 0 "[ . 1 . 2]" 1
994 1 42 ILE MG 1 55 ALA MB 2.990 . 3.080 2.626 2.345 2.792 . 0 0 "[ . 1 . 2]" 1
995 1 43 MET HA 1 43 MET QG 3.670 . 3.780 2.927 2.457 3.208 . 0 0 "[ . 1 . 2]" 1
996 1 43 MET HA 1 44 THR H 3.500 . 3.600 2.221 2.069 2.892 . 0 0 "[ . 1 . 2]" 1
997 1 43 MET HA 1 44 THR MG 4.710 . 4.850 4.332 3.939 4.962 0.112 13 0 "[ . 1 . 2]" 1
998 1 43 MET HA 1 54 PHE QE 5.370 . 5.530 5.352 4.903 5.578 0.048 5 0 "[ . 1 . 2]" 1
999 1 43 MET HB2 1 43 MET ME 4.520 . 4.660 3.059 2.171 4.095 . 0 0 "[ . 1 . 2]" 1
1000 1 43 MET HB2 1 54 PHE QE 4.890 . 5.040 3.484 2.864 4.093 . 0 0 "[ . 1 . 2]" 1
1001 1 43 MET HG2 1 54 PHE HZ 4.450 . 4.580 3.485 2.396 4.641 0.061 17 0 "[ . 1 . 2]" 1
1002 1 43 MET HG2 1 54 PHE QE 3.910 . 4.030 2.591 2.012 3.484 . 0 0 "[ . 1 . 2]" 1
1003 1 43 MET QB 1 43 MET ME 3.850 . 3.970 2.809 2.151 3.733 . 0 0 "[ . 1 . 2]" 1
1004 1 43 MET QB 1 44 THR H 4.370 . 4.500 3.880 3.641 4.033 . 0 0 "[ . 1 . 2]" 1
1005 1 43 MET QB 1 44 THR HA 5.340 . 5.500 4.624 4.249 4.878 . 0 0 "[ . 1 . 2]" 1
1006 1 43 MET QB 1 54 PHE HZ 4.790 . 4.930 4.210 3.610 4.839 . 0 0 "[ . 1 . 2]" 1
1007 1 43 MET QB 1 54 PHE QD 4.230 . 4.360 3.257 2.946 3.752 . 0 0 "[ . 1 . 2]" 1
1008 1 43 MET QB 1 54 PHE QE 4.080 . 4.200 3.136 2.610 3.765 . 0 0 "[ . 1 . 2]" 1
1009 1 43 MET QB 1 55 ALA HA 4.510 . 4.650 3.073 2.610 3.689 . 0 0 "[ . 1 . 2]" 1
1010 1 43 MET ME 1 44 THR H 4.150 . 4.270 3.542 2.150 4.297 0.027 11 0 "[ . 1 . 2]" 1
1011 1 43 MET ME 1 44 THR HA 5.500 . 5.660 5.377 4.406 5.747 0.087 7 0 "[ . 1 . 2]" 1
1012 1 43 MET ME 1 54 PHE QE 4.240 . 4.370 3.836 2.507 4.429 0.059 18 0 "[ . 1 . 2]" 1
1013 1 43 MET QG 1 52 ARG H 5.340 . 5.500 4.693 3.536 5.617 0.117 17 0 "[ . 1 . 2]" 1
1014 1 43 MET QG 1 54 PHE HZ 3.840 . 3.960 2.903 2.372 3.541 . 0 0 "[ . 1 . 2]" 1
1015 1 43 MET QG 1 54 PHE QE 3.390 . 3.490 2.299 1.891 2.941 . 0 0 "[ . 1 . 2]" 1
1016 1 43 MET QG 1 55 ALA HA 5.010 . 5.160 4.679 2.342 5.221 0.061 3 0 "[ . 1 . 2]" 1
1017 1 44 THR H 1 44 THR HB 4.170 . 4.300 3.573 3.491 3.663 . 0 0 "[ . 1 . 2]" 1
1018 1 44 THR H 1 44 THR MG 3.900 . 4.020 2.902 2.595 3.407 . 0 0 "[ . 1 . 2]" 1
1019 1 44 THR H 1 45 ASP H 4.650 . 4.790 4.516 4.417 4.599 . 0 0 "[ . 1 . 2]" 1
1020 1 44 THR HA 1 44 THR HB 2.820 . 2.900 2.601 2.558 2.686 . 0 0 "[ . 1 . 2]" 1
1021 1 44 THR HA 1 44 THR MG 2.820 . 2.900 2.228 2.172 2.267 . 0 0 "[ . 1 . 2]" 1
1022 1 44 THR HA 1 51 LYS HA 2.920 . 3.010 2.526 1.790 2.947 0.010 7 0 "[ . 1 . 2]" 1
1023 1 44 THR HA 1 51 LYS QG 4.390 . 4.520 4.245 3.650 4.536 0.016 3 0 "[ . 1 . 2]" 1
1024 1 44 THR HB 1 45 ASP H 2.870 . 2.960 2.556 1.860 2.984 0.024 8 0 "[ . 1 . 2]" 1
1025 1 44 THR HB 1 45 ASP HA 4.880 . 5.030 4.671 4.370 4.903 . 0 0 "[ . 1 . 2]" 1
1026 1 44 THR HB 1 45 ASP HB3 5.500 . 5.660 4.179 3.898 4.527 . 0 0 "[ . 1 . 2]" 1
1027 1 44 THR HB 1 46 ARG HA 5.500 . 5.660 5.427 4.970 5.711 0.051 2 0 "[ . 1 . 2]" 1
1028 1 44 THR HB 1 50 LYS H 3.940 . 4.060 3.218 2.892 3.923 . 0 0 "[ . 1 . 2]" 1
1029 1 44 THR HB 1 50 LYS QG 5.340 . 5.500 4.735 4.309 5.234 . 0 0 "[ . 1 . 2]" 1
1030 1 44 THR HB 1 52 ARG H 5.500 . 5.660 5.004 4.322 5.670 0.010 5 0 "[ . 1 . 2]" 1
1031 1 44 THR MG 1 45 ASP H 3.300 . 3.400 3.340 3.065 3.468 0.068 4 0 "[ . 1 . 2]" 1
1032 1 44 THR MG 1 45 ASP HA 5.500 . 5.660 5.472 5.310 5.553 . 0 0 "[ . 1 . 2]" 1
1033 1 44 THR MG 1 49 GLY HA2 4.600 . 4.740 3.650 3.218 3.964 . 0 0 "[ . 1 . 2]" 1
1034 1 44 THR MG 1 50 LYS H 3.820 . 3.930 3.928 3.621 4.029 0.099 9 0 "[ . 1 . 2]" 1
1035 1 44 THR MG 1 50 LYS HA 4.490 . 4.620 3.461 3.204 3.917 . 0 0 "[ . 1 . 2]" 1
1036 1 44 THR MG 1 50 LYS QG 5.200 . 5.360 4.759 4.397 5.244 . 0 0 "[ . 1 . 2]" 1
1037 1 44 THR MG 1 51 LYS H 4.980 . 5.130 3.242 1.901 4.060 . 0 0 "[ . 1 . 2]" 1
1038 1 44 THR MG 1 51 LYS HA 2.960 . 3.050 2.285 1.788 2.903 0.012 3 0 "[ . 1 . 2]" 1
1039 1 44 THR MG 1 51 LYS QE 4.790 . 4.930 4.399 3.544 5.041 0.111 20 0 "[ . 1 . 2]" 1
1040 1 44 THR MG 1 51 LYS QG 2.990 . 3.080 2.655 2.051 3.140 0.060 14 0 "[ . 1 . 2]" 1
1041 1 44 THR MG 1 52 ARG H 4.060 . 4.180 3.602 3.132 4.133 . 0 0 "[ . 1 . 2]" 1
1042 1 45 ASP H 1 45 ASP HB3 2.990 . 3.080 2.570 2.425 2.682 . 0 0 "[ . 1 . 2]" 1
1043 1 45 ASP H 1 46 ARG H 4.670 . 4.810 4.579 4.485 4.622 . 0 0 "[ . 1 . 2]" 1
1044 1 45 ASP H 1 46 ARG HA 5.500 . 5.660 5.496 5.281 5.625 . 0 0 "[ . 1 . 2]" 1
1045 1 45 ASP H 1 47 GLY H 5.100 . 5.250 5.190 4.995 5.303 0.053 6 0 "[ . 1 . 2]" 1
1046 1 45 ASP H 1 48 SER H 5.190 . 5.350 5.237 4.944 5.362 0.012 20 0 "[ . 1 . 2]" 1
1047 1 45 ASP H 1 48 SER QB 5.340 . 5.500 4.995 4.498 5.559 0.059 13 0 "[ . 1 . 2]" 1
1048 1 45 ASP H 1 49 GLY H 4.210 . 4.340 3.943 3.643 4.174 . 0 0 "[ . 1 . 2]" 1
1049 1 45 ASP H 1 50 LYS H 3.160 . 3.250 2.368 1.782 2.821 0.018 13 0 "[ . 1 . 2]" 1
1050 1 45 ASP H 1 50 LYS HG2 4.460 . 4.590 3.747 3.193 4.797 0.207 2 0 "[ . 1 . 2]" 1
1051 1 45 ASP H 1 50 LYS QB 4.420 . 4.550 4.033 2.669 4.586 0.036 7 0 "[ . 1 . 2]" 1
1052 1 45 ASP H 1 50 LYS QG 3.820 . 3.930 3.238 2.870 3.795 . 0 0 "[ . 1 . 2]" 1
1053 1 45 ASP H 1 51 LYS HA 4.190 . 4.320 3.942 3.132 4.349 0.029 2 0 "[ . 1 . 2]" 1
1054 1 45 ASP H 1 52 ARG H 4.410 . 4.540 3.946 3.225 4.576 0.036 3 0 "[ . 1 . 2]" 1
1055 1 45 ASP HA 1 46 ARG HA 4.590 . 4.730 4.269 4.199 4.324 . 0 0 "[ . 1 . 2]" 1
1056 1 45 ASP HA 1 46 ARG QB 5.220 . 5.380 4.185 3.969 4.475 . 0 0 "[ . 1 . 2]" 1
1057 1 45 ASP HA 1 52 ARG QB 5.500 . 5.660 3.897 2.680 5.463 . 0 0 "[ . 1 . 2]" 1
1058 1 45 ASP HB3 1 46 ARG HA 5.500 . 5.660 5.176 4.948 5.326 . 0 0 "[ . 1 . 2]" 1
1059 1 45 ASP HB3 1 47 GLY H 4.220 . 4.350 3.406 3.227 3.546 . 0 0 "[ . 1 . 2]" 1
1060 1 45 ASP HB3 1 48 SER QB 4.420 . 4.550 2.836 2.355 3.279 . 0 0 "[ . 1 . 2]" 1
1061 1 45 ASP HB3 1 49 GLY H 3.280 . 3.380 2.319 1.892 2.440 . 0 0 "[ . 1 . 2]" 1
1062 1 45 ASP HB3 1 49 GLY HA2 5.500 . 5.660 3.541 3.260 3.780 . 0 0 "[ . 1 . 2]" 1
1063 1 45 ASP HB3 1 50 LYS H 2.830 . 2.910 1.883 1.663 2.133 0.137 3 0 "[ . 1 . 2]" 1
1064 1 45 ASP HB3 1 50 LYS HA 5.440 . 5.600 4.667 4.174 4.996 . 0 0 "[ . 1 . 2]" 1
1065 1 45 ASP HB3 1 50 LYS QB 4.410 . 4.540 3.825 2.681 4.300 . 0 0 "[ . 1 . 2]" 1
1066 1 45 ASP HB3 1 50 LYS QD 4.060 . 4.180 3.915 3.486 4.188 0.008 8 0 "[ . 1 . 2]" 1
1067 1 45 ASP HB3 1 50 LYS QG 4.650 . 4.790 2.123 1.895 2.358 . 0 0 "[ . 1 . 2]" 1
1068 1 46 ARG H 1 46 ARG QD 3.720 . 3.830 2.859 1.651 4.006 0.176 11 0 "[ . 1 . 2]" 1
1069 1 46 ARG H 1 47 GLY H 3.290 . 3.390 2.591 2.327 2.792 . 0 0 "[ . 1 . 2]" 1
1070 1 46 ARG H 1 48 SER H 4.380 . 4.510 4.461 4.236 4.575 0.065 1 0 "[ . 1 . 2]" 1
1071 1 46 ARG H 1 49 GLY H 4.760 . 4.900 4.609 4.384 4.735 . 0 0 "[ . 1 . 2]" 1
1072 1 46 ARG HA 1 46 ARG QB 2.500 . 2.570 2.295 2.146 2.531 . 0 0 "[ . 1 . 2]" 1
1073 1 46 ARG HA 1 46 ARG QD 3.600 . 3.710 2.884 1.767 3.857 0.147 1 0 "[ . 1 . 2]" 1
1074 1 46 ARG HA 1 46 ARG QG 3.460 . 3.560 3.128 2.351 3.507 . 0 0 "[ . 1 . 2]" 1
1075 1 46 ARG QB 1 46 ARG QD 2.800 . 2.880 2.245 2.071 2.363 . 0 0 "[ . 1 . 2]" 1
1076 1 46 ARG QB 1 46 ARG QG 2.400 . 2.470 2.005 1.990 2.018 . 0 0 "[ . 1 . 2]" 1
1077 1 46 ARG QB 1 47 GLY HA2 5.190 . 5.350 4.411 4.152 4.697 . 0 0 "[ . 1 . 2]" 1
1078 1 46 ARG QB 1 47 GLY QA 4.440 . 4.570 4.042 3.708 4.350 . 0 0 "[ . 1 . 2]" 1
1079 1 46 ARG QD 1 47 GLY H 4.720 . 4.860 4.199 2.262 4.920 0.060 17 0 "[ . 1 . 2]" 1
1080 1 46 ARG QG 1 47 GLY HA2 5.500 . 5.660 4.346 3.542 5.287 . 0 0 "[ . 1 . 2]" 1
1081 1 46 ARG QG 1 47 GLY QA 4.670 . 4.810 3.954 3.201 4.868 0.058 20 0 "[ . 1 . 2]" 1
1082 1 47 GLY H 1 48 SER H 2.910 . 3.000 2.230 2.007 2.469 . 0 0 "[ . 1 . 2]" 1
1083 1 47 GLY H 1 48 SER HA 4.840 . 4.990 4.839 4.653 4.963 . 0 0 "[ . 1 . 2]" 1
1084 1 47 GLY H 1 49 GLY H 3.440 . 3.540 3.093 2.832 3.307 . 0 0 "[ . 1 . 2]" 1
1085 1 47 GLY H 1 50 LYS H 5.000 . 5.150 4.922 4.595 5.179 0.029 11 0 "[ . 1 . 2]" 1
1086 1 47 GLY HA2 1 48 SER HA 5.090 . 5.240 4.586 4.512 4.656 . 0 0 "[ . 1 . 2]" 1
1087 1 48 SER H 1 48 SER QB 3.030 . 3.120 2.430 2.286 2.609 . 0 0 "[ . 1 . 2]" 1
1088 1 48 SER H 1 49 GLY H 2.600 . 2.680 2.292 2.007 2.402 . 0 0 "[ . 1 . 2]" 1
1089 1 48 SER H 1 50 LYS H 4.160 . 4.280 4.020 3.696 4.272 . 0 0 "[ . 1 . 2]" 1
1090 1 48 SER H 1 50 LYS QD 4.590 . 4.730 4.701 3.699 4.862 0.132 3 0 "[ . 1 . 2]" 1
1091 1 48 SER H 1 50 LYS QE 5.170 . 5.330 4.538 3.740 5.492 0.162 14 0 "[ . 1 . 2]" 1
1092 1 48 SER H 1 50 LYS QG 4.110 . 4.230 3.739 3.417 3.927 . 0 0 "[ . 1 . 2]" 1
1093 1 48 SER HA 1 49 GLY H 3.420 . 3.520 3.422 3.345 3.504 . 0 0 "[ . 1 . 2]" 1
1094 1 48 SER HA 1 50 LYS QD 5.140 . 5.290 5.107 4.477 5.381 0.091 12 0 "[ . 1 . 2]" 1
1095 1 48 SER HA 1 50 LYS QE 5.500 . 5.660 5.000 4.229 5.693 0.033 14 0 "[ . 1 . 2]" 1
1096 1 48 SER HA 1 50 LYS QG 4.830 . 4.970 4.681 4.145 5.034 0.064 14 0 "[ . 1 . 2]" 1
1097 1 48 SER HB2 1 50 LYS QD 4.000 . 4.120 2.933 1.795 3.614 0.005 14 0 "[ . 1 . 2]" 1
1098 1 48 SER QB 1 50 LYS QD 3.500 . 3.600 2.449 1.771 2.835 0.029 14 0 "[ . 1 . 2]" 1
1099 1 48 SER QB 1 50 LYS QE 4.520 . 4.660 2.521 1.787 3.406 0.013 13 0 "[ . 1 . 2]" 1
1100 1 48 SER QB 1 50 LYS QG 3.300 . 3.400 2.116 1.746 2.494 0.054 10 0 "[ . 1 . 2]" 1
1101 1 49 GLY H 1 50 LYS H 3.150 . 3.240 2.610 2.376 2.879 . 0 0 "[ . 1 . 2]" 1
1102 1 49 GLY H 1 50 LYS QG 3.900 . 4.020 3.471 3.018 3.697 . 0 0 "[ . 1 . 2]" 1
1103 1 49 GLY HA2 1 50 LYS QB 5.500 . 5.660 5.064 4.859 5.224 . 0 0 "[ . 1 . 2]" 1
1104 1 49 GLY HA2 1 50 LYS QG 5.090 . 5.240 4.376 4.060 4.578 . 0 0 "[ . 1 . 2]" 1
1105 1 50 LYS H 1 50 LYS QE 4.510 . 4.650 4.106 3.495 4.661 0.011 13 0 "[ . 1 . 2]" 1
1106 1 50 LYS H 1 50 LYS QG 2.530 . 2.610 2.005 1.772 2.483 0.028 9 0 "[ . 1 . 2]" 1
1107 1 50 LYS HA 1 50 LYS QE 5.500 . 5.660 4.557 1.906 5.637 . 0 0 "[ . 1 . 2]" 1
1108 1 50 LYS HA 1 50 LYS QG 3.450 . 3.550 3.225 2.654 3.353 . 0 0 "[ . 1 . 2]" 1
1109 1 50 LYS HA 1 51 LYS HA 5.350 . 5.510 4.357 4.242 4.800 . 0 0 "[ . 1 . 2]" 1
1110 1 50 LYS HA 1 51 LYS QG 5.340 . 5.500 3.864 3.267 4.652 . 0 0 "[ . 1 . 2]" 1
1111 1 50 LYS QB 1 51 LYS H 3.740 . 3.850 2.842 2.377 4.001 0.151 7 0 "[ . 1 . 2]" 1
1112 1 50 LYS QD 1 50 LYS QG 2.420 . 2.490 2.039 1.977 2.092 . 0 0 "[ . 1 . 2]" 1
1113 1 50 LYS QE 1 50 LYS QG 3.020 . 3.110 2.331 2.122 2.866 . 0 0 "[ . 1 . 2]" 1
1114 1 51 LYS H 1 51 LYS QG 4.520 . 4.660 2.412 2.037 3.710 . 0 0 "[ . 1 . 2]" 1
1115 1 51 LYS HA 1 51 LYS HG2 3.630 . 3.740 2.607 2.320 3.621 . 0 0 "[ . 1 . 2]" 1
1116 1 51 LYS HA 1 51 LYS QE 4.780 . 4.920 4.417 3.658 4.865 . 0 0 "[ . 1 . 2]" 1
1117 1 51 LYS HA 1 51 LYS QG 2.810 . 2.890 2.393 2.251 2.507 . 0 0 "[ . 1 . 2]" 1
1118 1 51 LYS HA 1 52 ARG H 3.330 . 3.430 2.135 2.098 2.172 . 0 0 "[ . 1 . 2]" 1
1119 1 51 LYS HA 1 52 ARG HA 5.500 . 5.660 4.358 4.303 4.410 . 0 0 "[ . 1 . 2]" 1
1120 1 51 LYS QG 1 52 ARG H 4.280 . 4.410 4.113 3.683 4.287 . 0 0 "[ . 1 . 2]" 1
1121 1 52 ARG H 1 52 ARG QD 5.290 . 5.450 4.334 4.052 4.547 . 0 0 "[ . 1 . 2]" 1
1122 1 52 ARG HA 1 52 ARG QD 3.530 . 3.640 3.298 1.912 3.912 0.272 7 0 "[ . 1 . 2]" 1
1123 1 52 ARG HA 1 52 ARG QG 3.420 . 3.520 2.502 2.187 3.067 . 0 0 "[ . 1 . 2]" 1
1124 1 52 ARG QB 1 52 ARG QD 3.030 . 3.120 2.179 2.076 2.394 . 0 0 "[ . 1 . 2]" 1
1125 1 52 ARG QB 1 53 GLY H 5.240 . 5.400 2.764 2.057 3.499 . 0 0 "[ . 1 . 2]" 1
1126 1 52 ARG QD 1 54 PHE HZ 5.040 . 5.190 3.857 2.377 5.211 0.021 20 0 "[ . 1 . 2]" 1
1127 1 52 ARG QD 1 52 ARG QG 2.400 . 2.470 2.070 2.007 2.091 . 0 0 "[ . 1 . 2]" 1
1128 1 54 PHE HZ 1 56 PHE QE 5.490 . 5.650 4.587 4.146 4.860 . 0 0 "[ . 1 . 2]" 1
1129 1 55 ALA HA 1 56 PHE H 2.950 . 3.040 2.444 2.334 2.558 . 0 0 "[ . 1 . 2]" 1
1130 1 55 ALA HA 1 56 PHE HA 5.270 . 5.430 4.442 4.403 4.497 . 0 0 "[ . 1 . 2]" 1
1131 1 55 ALA HA 1 56 PHE HZ 5.480 . 5.640 5.675 5.598 5.723 0.083 17 0 "[ . 1 . 2]" 1
1132 1 55 ALA MB 1 56 PHE H 2.680 . 2.760 2.274 2.118 2.489 . 0 0 "[ . 1 . 2]" 1
1133 1 55 ALA MB 1 56 PHE HA 4.890 . 5.040 4.019 3.973 4.090 . 0 0 "[ . 1 . 2]" 1
1134 1 55 ALA MB 1 56 PHE HB3 5.500 . 5.660 5.449 5.377 5.553 . 0 0 "[ . 1 . 2]" 1
1135 1 55 ALA MB 1 56 PHE QE 5.500 . 5.660 5.371 5.218 5.470 . 0 0 "[ . 1 . 2]" 1
1136 1 55 ALA MB 1 57 VAL H 5.500 . 5.660 5.066 4.788 5.323 . 0 0 "[ . 1 . 2]" 1
1137 1 56 PHE H 1 56 PHE HB3 4.110 . 4.230 3.828 3.789 3.874 . 0 0 "[ . 1 . 2]" 1
1138 1 56 PHE H 1 57 VAL MG2 4.200 . 4.330 4.237 4.011 4.373 0.043 15 0 "[ . 1 . 2]" 1
1139 1 56 PHE HA 1 57 VAL H 2.930 . 3.020 2.204 2.143 2.291 . 0 0 "[ . 1 . 2]" 1
1140 1 56 PHE HA 1 57 VAL HB 5.380 . 5.540 4.678 4.566 4.764 . 0 0 "[ . 1 . 2]" 1
1141 1 56 PHE HA 1 57 VAL MG2 3.930 . 4.050 3.431 3.278 3.556 . 0 0 "[ . 1 . 2]" 1
1142 1 56 PHE HA 1 86 ALA MB 4.370 . 4.500 3.970 3.775 4.312 . 0 0 "[ . 1 . 2]" 1
1143 1 56 PHE HB3 1 57 VAL H 3.770 . 3.880 3.046 2.665 3.397 . 0 0 "[ . 1 . 2]" 1
1144 1 56 PHE HB3 1 58 THR H 5.500 . 5.660 5.012 4.808 5.266 . 0 0 "[ . 1 . 2]" 1
1145 1 56 PHE HB3 1 86 ALA MB 4.960 . 5.110 3.352 3.095 3.653 . 0 0 "[ . 1 . 2]" 1
1146 1 57 VAL H 1 58 THR H 4.230 . 4.360 4.164 4.071 4.269 . 0 0 "[ . 1 . 2]" 1
1147 1 57 VAL H 1 86 ALA MB 4.350 . 4.480 4.177 4.034 4.484 0.004 12 0 "[ . 1 . 2]" 1
1148 1 57 VAL HA 1 58 THR H 2.490 . 2.560 2.150 2.133 2.168 . 0 0 "[ . 1 . 2]" 1
1149 1 57 VAL HA 1 59 PHE QE 5.060 . 5.210 5.091 4.988 5.219 0.009 3 0 "[ . 1 . 2]" 1
1150 1 57 VAL HB 1 58 THR HA 5.490 . 5.650 4.964 4.855 5.037 . 0 0 "[ . 1 . 2]" 1
1151 1 57 VAL HB 1 59 PHE HZ 5.210 . 5.370 3.424 3.212 3.624 . 0 0 "[ . 1 . 2]" 1
1152 1 57 VAL HB 1 59 PHE QD 5.360 . 5.520 4.253 4.100 4.389 . 0 0 "[ . 1 . 2]" 1
1153 1 57 VAL HB 1 59 PHE QE 3.910 . 4.030 2.653 2.472 2.800 . 0 0 "[ . 1 . 2]" 1
1154 1 57 VAL MG1 1 58 THR HA 5.250 . 5.410 4.120 4.018 4.211 . 0 0 "[ . 1 . 2]" 1
1155 1 57 VAL MG1 1 58 THR HB 4.810 . 4.950 4.793 4.695 4.857 . 0 0 "[ . 1 . 2]" 1
1156 1 57 VAL MG1 1 58 THR MG 5.310 . 5.470 5.059 4.937 5.129 . 0 0 "[ . 1 . 2]" 1
1157 1 57 VAL MG1 1 59 PHE H 4.720 . 4.860 4.415 4.257 4.531 . 0 0 "[ . 1 . 2]" 1
1158 1 57 VAL MG1 1 59 PHE HA 4.560 . 4.700 4.160 4.000 4.280 . 0 0 "[ . 1 . 2]" 1
1159 1 57 VAL MG1 1 59 PHE HZ 3.750 . 3.860 2.519 2.416 2.623 . 0 0 "[ . 1 . 2]" 1
1160 1 57 VAL MG1 1 59 PHE QD 3.800 . 3.910 3.472 3.400 3.548 . 0 0 "[ . 1 . 2]" 1
1161 1 57 VAL MG1 1 59 PHE QE 3.490 . 3.590 2.802 2.737 2.857 . 0 0 "[ . 1 . 2]" 1
1162 1 57 VAL MG2 1 59 PHE HZ 5.080 . 5.230 3.883 3.672 4.056 . 0 0 "[ . 1 . 2]" 1
1163 1 58 THR H 1 58 THR HB 2.810 . 2.890 2.600 2.461 2.685 . 0 0 "[ . 1 . 2]" 1
1164 1 58 THR H 1 58 THR MG 3.820 . 3.930 3.790 3.769 3.808 . 0 0 "[ . 1 . 2]" 1
1165 1 58 THR H 1 59 PHE H 4.580 . 4.720 4.476 4.449 4.501 . 0 0 "[ . 1 . 2]" 1
1166 1 58 THR HA 1 58 THR MG 2.970 . 3.060 2.326 2.267 2.425 . 0 0 "[ . 1 . 2]" 1
1167 1 58 THR HA 1 59 PHE QD 4.860 . 5.010 3.625 3.319 3.768 . 0 0 "[ . 1 . 2]" 1
1168 1 58 THR HA 1 59 PHE QE 5.500 . 5.660 4.945 4.626 5.081 . 0 0 "[ . 1 . 2]" 1
1169 1 58 THR HA 1 65 VAL QG 4.990 . 5.140 4.623 4.360 4.857 . 0 0 "[ . 1 . 2]" 1
1170 1 58 THR HA 1 86 ALA MB 5.500 . 5.660 5.411 5.202 5.560 . 0 0 "[ . 1 . 2]" 1
1171 1 58 THR HB 1 59 PHE H 4.310 . 4.440 4.113 4.023 4.240 . 0 0 "[ . 1 . 2]" 1
1172 1 58 THR MG 1 59 PHE H 2.640 . 2.720 2.711 2.536 2.757 0.037 12 0 "[ . 1 . 2]" 1
1173 1 58 THR MG 1 59 PHE HA 4.590 . 4.730 3.894 3.741 4.017 . 0 0 "[ . 1 . 2]" 1
1174 1 58 THR MG 1 60 ASP H 4.810 . 4.950 4.768 4.525 4.928 . 0 0 "[ . 1 . 2]" 1
1175 1 58 THR MG 1 60 ASP HA 4.300 . 4.430 4.267 4.085 4.412 . 0 0 "[ . 1 . 2]" 1
1176 1 58 THR MG 1 61 ASP H 5.500 . 5.660 5.672 5.584 5.764 0.104 19 0 "[ . 1 . 2]" 1
1177 1 59 PHE H 1 59 PHE HB3 3.720 . 3.830 3.702 3.681 3.718 . 0 0 "[ . 1 . 2]" 1
1178 1 59 PHE H 1 59 PHE QE 4.810 . 4.950 4.684 4.573 4.750 . 0 0 "[ . 1 . 2]" 1
1179 1 59 PHE HA 1 59 PHE QD 3.200 . 3.300 2.954 2.858 3.014 . 0 0 "[ . 1 . 2]" 1
1180 1 59 PHE HA 1 60 ASP HA 4.610 . 4.750 4.342 4.313 4.377 . 0 0 "[ . 1 . 2]" 1
1181 1 59 PHE HA 1 60 ASP QB 4.610 . 4.750 4.141 4.050 4.214 . 0 0 "[ . 1 . 2]" 1
1182 1 59 PHE HA 1 65 VAL QG 4.830 . 4.970 4.552 4.339 4.920 . 0 0 "[ . 1 . 2]" 1
1183 1 59 PHE HB3 1 60 ASP H 2.930 . 3.020 2.754 2.582 2.901 . 0 0 "[ . 1 . 2]" 1
1184 1 59 PHE HB3 1 60 ASP HA 5.070 . 5.220 4.825 4.761 4.896 . 0 0 "[ . 1 . 2]" 1
1185 1 59 PHE HB3 1 61 ASP H 2.890 . 2.980 2.407 2.294 2.521 . 0 0 "[ . 1 . 2]" 1
1186 1 59 PHE HB3 1 65 VAL QG 3.950 . 4.070 3.203 2.984 3.608 . 0 0 "[ . 1 . 2]" 1
1187 1 59 PHE HZ 1 65 VAL HA 5.500 . 5.660 4.713 4.514 4.869 . 0 0 "[ . 1 . 2]" 1
1188 1 59 PHE HZ 1 68 ILE MD 3.550 . 3.660 2.165 2.100 2.252 . 0 0 "[ . 1 . 2]" 1
1189 1 59 PHE HZ 1 68 ILE QG 5.340 . 5.500 4.223 4.122 4.322 . 0 0 "[ . 1 . 2]" 1
1190 1 59 PHE HZ 1 68 ILE MG 5.190 . 5.350 3.808 3.522 4.033 . 0 0 "[ . 1 . 2]" 1
1191 1 59 PHE QD 1 62 HIS HA 5.440 . 5.600 5.318 5.085 5.555 . 0 0 "[ . 1 . 2]" 1
1192 1 59 PHE QD 1 65 VAL HB 5.500 . 5.660 4.590 3.823 5.024 . 0 0 "[ . 1 . 2]" 1
1193 1 59 PHE QD 1 65 VAL QG 2.790 . 2.870 2.007 1.805 2.179 . 0 0 "[ . 1 . 2]" 1
1194 1 59 PHE QD 1 68 ILE MD 3.920 . 4.040 3.844 3.740 3.902 . 0 0 "[ . 1 . 2]" 1
1195 1 59 PHE QE 1 65 VAL QG 4.010 . 4.130 3.072 2.903 3.213 . 0 0 "[ . 1 . 2]" 1
1196 1 59 PHE QE 1 68 ILE HB 5.500 . 5.660 4.584 4.300 4.818 . 0 0 "[ . 1 . 2]" 1
1197 1 59 PHE QE 1 68 ILE MD 3.330 . 3.430 2.681 2.620 2.725 . 0 0 "[ . 1 . 2]" 1
1198 1 59 PHE QE 1 68 ILE QG 5.180 . 5.340 4.513 4.468 4.554 . 0 0 "[ . 1 . 2]" 1
1199 1 60 ASP H 1 60 ASP HB2 3.040 . 3.130 2.643 2.445 2.742 . 0 0 "[ . 1 . 2]" 1
1200 1 60 ASP H 1 60 ASP QB 2.490 . 2.560 2.261 2.212 2.317 . 0 0 "[ . 1 . 2]" 1
1201 1 60 ASP HA 1 60 ASP QB 2.580 . 2.660 2.349 2.295 2.447 . 0 0 "[ . 1 . 2]" 1
1202 1 60 ASP HA 1 61 ASP HA 4.660 . 4.800 4.542 4.472 4.604 . 0 0 "[ . 1 . 2]" 1
1203 1 60 ASP QB 1 61 ASP H 3.410 . 3.510 3.029 2.757 3.312 . 0 0 "[ . 1 . 2]" 1
1204 1 61 ASP H 1 62 HIS H 4.310 . 4.440 4.389 4.303 4.461 0.021 5 0 "[ . 1 . 2]" 1
1205 1 61 ASP H 1 63 ASP H 5.030 . 5.180 4.980 4.876 5.206 0.026 5 0 "[ . 1 . 2]" 1
1206 1 61 ASP H 1 64 SER H 4.850 . 5.000 4.569 4.263 5.003 0.003 16 0 "[ . 1 . 2]" 1
1207 1 61 ASP H 1 65 VAL H 5.500 . 5.660 5.335 5.017 5.665 0.005 5 0 "[ . 1 . 2]" 1
1208 1 61 ASP HA 1 62 HIS HA 4.940 . 5.090 4.337 4.301 4.375 . 0 0 "[ . 1 . 2]" 1
1209 1 61 ASP HA 1 62 HIS HD2 5.500 . 5.660 5.671 5.368 5.728 0.068 3 0 "[ . 1 . 2]" 1
1210 1 61 ASP HA 1 63 ASP H 3.860 . 3.980 3.684 3.504 3.915 . 0 0 "[ . 1 . 2]" 1
1211 1 61 ASP HA 1 64 SER H 5.050 . 5.200 4.772 4.541 4.999 . 0 0 "[ . 1 . 2]" 1
1212 1 61 ASP HB3 1 62 HIS H 4.400 . 4.530 3.700 2.784 4.215 . 0 0 "[ . 1 . 2]" 1
1213 1 61 ASP HB3 1 62 HIS HA 5.500 . 5.660 4.828 4.570 5.141 . 0 0 "[ . 1 . 2]" 1
1214 1 61 ASP HB3 1 63 ASP H 3.340 . 3.440 2.995 2.290 3.610 0.170 18 0 "[ . 1 . 2]" 1
1215 1 61 ASP HB3 1 64 SER H 3.630 . 3.740 2.632 2.398 3.068 . 0 0 "[ . 1 . 2]" 1
1216 1 61 ASP HB3 1 65 VAL H 5.500 . 5.660 4.660 4.368 5.147 . 0 0 "[ . 1 . 2]" 1
1217 1 62 HIS H 1 63 ASP H 3.640 . 3.750 2.432 2.260 2.564 . 0 0 "[ . 1 . 2]" 1
1218 1 62 HIS H 1 63 ASP HA 5.360 . 5.520 4.970 4.862 5.066 . 0 0 "[ . 1 . 2]" 1
1219 1 62 HIS H 1 64 SER H 4.940 . 5.090 4.347 4.035 4.569 . 0 0 "[ . 1 . 2]" 1
1220 1 62 HIS HA 1 62 HIS HD2 4.650 . 4.790 4.311 4.215 4.569 . 0 0 "[ . 1 . 2]" 1
1221 1 62 HIS HA 1 64 SER H 4.380 . 4.510 4.172 3.866 4.493 . 0 0 "[ . 1 . 2]" 1
1222 1 62 HIS HA 1 65 VAL QG 3.290 . 3.390 2.114 1.892 2.445 . 0 0 "[ . 1 . 2]" 1
1223 1 62 HIS HD2 1 63 ASP HA 3.510 . 3.620 3.078 2.688 3.655 0.035 9 0 "[ . 1 . 2]" 1
1224 1 62 HIS HD2 1 63 ASP QB 5.300 . 5.460 3.315 2.781 4.030 . 0 0 "[ . 1 . 2]" 1
1225 1 62 HIS QB 1 62 HIS HD2 3.050 . 3.140 2.967 2.845 3.041 . 0 0 "[ . 1 . 2]" 1
1226 1 62 HIS QB 1 63 ASP H 4.260 . 4.390 3.779 3.458 3.922 . 0 0 "[ . 1 . 2]" 1
1227 1 62 HIS QB 1 65 VAL HB 5.190 . 5.350 4.392 3.307 5.448 0.098 1 0 "[ . 1 . 2]" 1
1228 1 62 HIS QB 1 65 VAL QG 4.120 . 4.240 3.132 2.707 3.666 . 0 0 "[ . 1 . 2]" 1
1229 1 63 ASP H 1 63 ASP QB 3.270 . 3.370 2.288 2.198 2.452 . 0 0 "[ . 1 . 2]" 1
1230 1 63 ASP H 1 64 SER H 2.810 . 2.890 2.462 2.052 2.790 . 0 0 "[ . 1 . 2]" 1
1231 1 63 ASP H 1 65 VAL H 5.240 . 5.400 3.817 3.471 4.124 . 0 0 "[ . 1 . 2]" 1
1232 1 63 ASP H 1 65 VAL QG 4.530 . 4.670 3.983 3.698 4.230 . 0 0 "[ . 1 . 2]" 1
1233 1 63 ASP H 1 66 ASP H 5.120 . 5.270 4.855 4.357 5.283 0.013 12 0 "[ . 1 . 2]" 1
1234 1 63 ASP HB2 1 64 SER H 3.870 . 3.990 3.779 2.630 4.011 0.021 1 0 "[ . 1 . 2]" 1
1235 1 63 ASP QB 1 64 SER H 3.120 . 3.210 2.569 2.379 2.754 . 0 0 "[ . 1 . 2]" 1
1236 1 63 ASP QB 1 64 SER HA 4.920 . 5.070 4.191 3.900 4.451 . 0 0 "[ . 1 . 2]" 1
1237 1 63 ASP QB 1 66 ASP H 5.340 . 5.500 4.902 4.303 5.260 . 0 0 "[ . 1 . 2]" 1
1238 1 63 ASP QB 1 67 LYS QE 4.270 . 4.400 3.841 2.796 4.155 . 0 0 "[ . 1 . 2]" 1
1239 1 64 SER H 1 65 VAL H 3.530 . 3.640 2.641 2.518 2.751 . 0 0 "[ . 1 . 2]" 1
1240 1 64 SER H 1 66 ASP H 4.210 . 4.340 4.126 3.959 4.311 . 0 0 "[ . 1 . 2]" 1
1241 1 64 SER H 1 67 LYS QD 5.190 . 5.350 4.823 4.216 5.479 0.129 18 0 "[ . 1 . 2]" 1
1242 1 64 SER H 1 67 LYS QE 4.120 . 4.240 4.032 3.457 4.317 0.077 17 0 "[ . 1 . 2]" 1
1243 1 64 SER HA 1 67 LYS QD 5.090 . 5.240 2.950 1.961 4.053 . 0 0 "[ . 1 . 2]" 1
1244 1 64 SER HA 1 67 LYS QG 4.740 . 4.880 3.499 2.086 4.557 . 0 0 "[ . 1 . 2]" 1
1245 1 64 SER HA 1 68 ILE MD 4.900 . 5.050 4.652 4.422 4.868 . 0 0 "[ . 1 . 2]" 1
1246 1 65 VAL H 1 66 ASP H 3.330 . 3.430 2.483 2.390 2.601 . 0 0 "[ . 1 . 2]" 1
1247 1 65 VAL HA 1 66 ASP HA 4.950 . 5.100 4.801 4.732 4.898 . 0 0 "[ . 1 . 2]" 1
1248 1 65 VAL HA 1 68 ILE H 3.720 . 3.830 3.636 3.425 3.760 . 0 0 "[ . 1 . 2]" 1
1249 1 65 VAL HA 1 68 ILE HA 5.500 . 5.660 5.563 5.196 5.679 0.019 14 0 "[ . 1 . 2]" 1
1250 1 65 VAL HA 1 68 ILE HB 3.760 . 3.870 2.865 2.518 2.950 . 0 0 "[ . 1 . 2]" 1
1251 1 65 VAL HA 1 68 ILE HG12 5.500 . 5.660 4.831 4.400 5.064 . 0 0 "[ . 1 . 2]" 1
1252 1 65 VAL HA 1 68 ILE HG13 5.500 . 5.660 3.602 3.170 3.885 . 0 0 "[ . 1 . 2]" 1
1253 1 65 VAL HA 1 68 ILE MD 3.180 . 3.280 2.333 1.906 2.647 . 0 0 "[ . 1 . 2]" 1
1254 1 65 VAL HA 1 68 ILE QG 4.780 . 4.920 3.508 3.103 3.764 . 0 0 "[ . 1 . 2]" 1
1255 1 65 VAL HA 1 68 ILE MG 4.070 . 4.190 4.118 3.812 4.260 0.070 10 0 "[ . 1 . 2]" 1
1256 1 65 VAL HA 1 69 VAL H 4.580 . 4.720 4.094 3.864 4.308 . 0 0 "[ . 1 . 2]" 1
1257 1 65 VAL HA 1 69 VAL MG1 3.660 . 3.770 3.608 3.450 3.776 0.006 4 0 "[ . 1 . 2]" 1
1258 1 65 VAL HB 1 68 ILE MD 5.290 . 5.450 4.683 3.646 5.363 . 0 0 "[ . 1 . 2]" 1
1259 1 65 VAL HB 1 69 VAL MG1 3.580 . 3.690 3.362 2.508 3.817 0.127 8 0 "[ . 1 . 2]" 1
1260 1 65 VAL HB 1 69 VAL MG2 4.160 . 4.280 3.910 3.651 4.300 0.020 8 0 "[ . 1 . 2]" 1
1261 1 65 VAL QG 1 68 ILE HB 4.690 . 4.830 3.638 3.212 4.188 . 0 0 "[ . 1 . 2]" 1
1262 1 65 VAL QG 1 68 ILE MD 4.180 . 4.310 3.326 3.076 3.533 . 0 0 "[ . 1 . 2]" 1
1263 1 65 VAL QG 1 68 ILE MG 4.940 . 5.090 4.118 3.663 4.643 . 0 0 "[ . 1 . 2]" 1
1264 1 65 VAL QG 1 85 LYS HA 5.440 . 5.600 4.170 3.606 5.048 . 0 0 "[ . 1 . 2]" 1
1265 1 66 ASP H 1 66 ASP QB 2.870 . 2.960 2.256 2.128 2.290 . 0 0 "[ . 1 . 2]" 1
1266 1 66 ASP H 1 67 LYS H 3.240 . 3.340 2.705 2.505 3.012 . 0 0 "[ . 1 . 2]" 1
1267 1 66 ASP H 1 67 LYS HA 5.500 . 5.660 5.311 5.154 5.521 . 0 0 "[ . 1 . 2]" 1
1268 1 66 ASP H 1 67 LYS QG 4.370 . 4.500 4.160 3.618 4.612 0.112 13 0 "[ . 1 . 2]" 1
1269 1 66 ASP H 1 68 ILE H 4.050 . 4.170 3.919 3.770 4.032 . 0 0 "[ . 1 . 2]" 1
1270 1 66 ASP H 1 69 VAL MG2 4.020 . 4.140 3.982 3.761 4.144 0.004 13 0 "[ . 1 . 2]" 1
1271 1 66 ASP HA 1 66 ASP QB 2.590 . 2.670 2.347 2.151 2.469 . 0 0 "[ . 1 . 2]" 1
1272 1 66 ASP HA 1 67 LYS HA 5.020 . 5.170 4.782 4.620 4.852 . 0 0 "[ . 1 . 2]" 1
1273 1 66 ASP HA 1 67 LYS QD 5.250 . 5.410 5.024 4.556 5.545 0.135 9 0 "[ . 1 . 2]" 1
1274 1 66 ASP HA 1 68 ILE H 4.100 . 4.220 3.687 3.488 3.856 . 0 0 "[ . 1 . 2]" 1
1275 1 66 ASP HA 1 69 VAL H 4.220 . 4.350 3.420 3.160 3.656 . 0 0 "[ . 1 . 2]" 1
1276 1 66 ASP HA 1 69 VAL HB 4.950 . 5.100 4.940 4.708 5.184 0.084 6 0 "[ . 1 . 2]" 1
1277 1 66 ASP HA 1 69 VAL MG1 3.860 . 3.980 3.816 3.499 4.001 0.021 6 0 "[ . 1 . 2]" 1
1278 1 66 ASP HA 1 69 VAL MG2 2.840 . 2.930 1.979 1.763 2.178 0.037 12 0 "[ . 1 . 2]" 1
1279 1 66 ASP HA 1 70 ILE H 5.500 . 5.660 4.102 3.938 4.344 . 0 0 "[ . 1 . 2]" 1
1280 1 66 ASP HA 1 70 ILE HG12 5.480 . 5.640 5.174 4.940 5.426 . 0 0 "[ . 1 . 2]" 1
1281 1 66 ASP HA 1 70 ILE HG13 5.420 . 5.580 4.908 4.661 5.206 . 0 0 "[ . 1 . 2]" 1
1282 1 66 ASP HA 1 70 ILE MG 4.710 . 4.850 3.482 3.325 3.654 . 0 0 "[ . 1 . 2]" 1
1283 1 66 ASP HB2 1 67 LYS HA 5.500 . 5.660 5.570 4.851 5.703 0.043 10 0 "[ . 1 . 2]" 1
1284 1 66 ASP HB2 1 69 VAL MG2 5.120 . 5.270 4.014 3.796 4.752 . 0 0 "[ . 1 . 2]" 1
1285 1 66 ASP HB2 1 70 ILE MG 5.360 . 5.520 4.707 4.082 5.100 . 0 0 "[ . 1 . 2]" 1
1286 1 66 ASP QB 1 67 LYS H 3.530 . 3.640 2.657 2.419 3.375 . 0 0 "[ . 1 . 2]" 1
1287 1 66 ASP QB 1 67 LYS HA 4.700 . 4.840 4.195 4.048 4.702 . 0 0 "[ . 1 . 2]" 1
1288 1 66 ASP QB 1 67 LYS QG 4.390 . 4.520 3.584 3.093 4.258 . 0 0 "[ . 1 . 2]" 1
1289 1 66 ASP QB 1 68 ILE H 4.630 . 4.770 4.433 4.320 4.712 . 0 0 "[ . 1 . 2]" 1
1290 1 66 ASP QB 1 69 VAL MG2 4.350 . 4.480 3.748 3.578 4.007 . 0 0 "[ . 1 . 2]" 1
1291 1 66 ASP QB 1 70 ILE MG 4.590 . 4.730 4.120 3.706 4.376 . 0 0 "[ . 1 . 2]" 1
1292 1 67 LYS H 1 67 LYS HG2 3.520 . 3.630 2.836 1.771 3.735 0.105 1 0 "[ . 1 . 2]" 1
1293 1 67 LYS H 1 67 LYS QD 4.000 . 4.120 2.129 1.733 2.695 0.067 5 0 "[ . 1 . 2]" 1
1294 1 67 LYS H 1 67 LYS QE 4.130 . 4.250 3.617 3.183 3.886 . 0 0 "[ . 1 . 2]" 1
1295 1 67 LYS H 1 67 LYS QG 3.070 . 3.160 2.097 1.765 2.616 0.035 10 0 "[ . 1 . 2]" 1
1296 1 67 LYS H 1 69 VAL H 5.050 . 5.200 4.423 4.285 4.551 . 0 0 "[ . 1 . 2]" 1
1297 1 67 LYS H 1 69 VAL MG2 4.920 . 5.070 4.431 4.232 4.638 . 0 0 "[ . 1 . 2]" 1
1298 1 67 LYS HA 1 67 LYS QD 4.320 . 4.450 3.442 2.519 4.004 . 0 0 "[ . 1 . 2]" 1
1299 1 67 LYS HA 1 67 LYS QG 3.460 . 3.560 2.919 2.490 3.427 . 0 0 "[ . 1 . 2]" 1
1300 1 67 LYS HA 1 68 ILE HA 5.020 . 5.170 4.627 4.579 4.660 . 0 0 "[ . 1 . 2]" 1
1301 1 67 LYS HA 1 70 ILE H 5.090 . 5.240 4.277 3.924 4.673 . 0 0 "[ . 1 . 2]" 1
1302 1 67 LYS HA 1 70 ILE HG12 4.380 . 4.510 2.630 2.260 3.146 . 0 0 "[ . 1 . 2]" 1
1303 1 67 LYS HA 1 70 ILE HG13 3.940 . 4.060 3.134 2.786 3.490 . 0 0 "[ . 1 . 2]" 1
1304 1 67 LYS HA 1 70 ILE MD 3.180 . 3.280 3.320 3.072 3.416 0.136 10 0 "[ . 1 . 2]" 1
1305 1 67 LYS QD 1 68 ILE H 4.580 . 4.720 4.094 3.657 4.625 . 0 0 "[ . 1 . 2]" 1
1306 1 67 LYS QE 1 67 LYS QG 2.480 . 2.550 2.251 2.091 2.364 . 0 0 "[ . 1 . 2]" 1
1307 1 68 ILE H 1 69 VAL H 2.860 . 2.950 2.296 2.218 2.361 . 0 0 "[ . 1 . 2]" 1
1308 1 68 ILE H 1 69 VAL MG2 3.500 . 3.600 3.450 3.289 3.604 0.004 13 0 "[ . 1 . 2]" 1
1309 1 68 ILE H 1 70 ILE H 4.380 . 4.510 3.616 3.385 3.738 . 0 0 "[ . 1 . 2]" 1
1310 1 68 ILE H 1 70 ILE HG13 5.300 . 5.460 3.799 3.426 3.935 . 0 0 "[ . 1 . 2]" 1
1311 1 68 ILE HA 1 68 ILE HG12 3.440 . 3.540 2.552 2.477 2.594 . 0 0 "[ . 1 . 2]" 1
1312 1 68 ILE HA 1 68 ILE HG13 3.440 . 3.540 2.896 2.816 2.992 . 0 0 "[ . 1 . 2]" 1
1313 1 68 ILE HA 1 68 ILE MD 4.000 . 4.120 3.832 3.797 3.858 . 0 0 "[ . 1 . 2]" 1
1314 1 68 ILE HA 1 68 ILE MG 3.010 . 3.100 2.421 2.380 2.440 . 0 0 "[ . 1 . 2]" 1
1315 1 68 ILE HA 1 69 VAL HA 5.060 . 5.210 4.710 4.628 4.757 . 0 0 "[ . 1 . 2]" 1
1316 1 68 ILE HA 1 69 VAL MG1 5.190 . 5.350 4.884 4.739 4.998 . 0 0 "[ . 1 . 2]" 1
1317 1 68 ILE HA 1 69 VAL MG2 5.040 . 5.190 5.072 4.975 5.171 . 0 0 "[ . 1 . 2]" 1
1318 1 68 ILE HA 1 74 HIS HD2 5.180 . 5.340 5.124 4.868 5.335 . 0 0 "[ . 1 . 2]" 1
1319 1 68 ILE HA 1 74 HIS HE1 2.930 . 3.020 2.157 1.955 2.384 . 0 0 "[ . 1 . 2]" 1
1320 1 68 ILE HA 1 83 VAL QG 4.670 . 4.810 4.095 3.787 4.342 . 0 0 "[ . 1 . 2]" 1
1321 1 68 ILE HB 1 68 ILE MD 3.030 . 3.120 2.375 2.363 2.413 . 0 0 "[ . 1 . 2]" 1
1322 1 68 ILE HB 1 69 VAL HA 4.710 . 4.850 4.194 4.107 4.247 . 0 0 "[ . 1 . 2]" 1
1323 1 68 ILE HB 1 69 VAL MG1 3.640 . 3.750 2.944 2.757 3.108 . 0 0 "[ . 1 . 2]" 1
1324 1 68 ILE HB 1 69 VAL MG2 4.370 . 4.500 3.976 3.782 4.104 . 0 0 "[ . 1 . 2]" 1
1325 1 68 ILE HB 1 74 HIS HE1 4.880 . 5.030 4.772 4.464 5.047 0.017 18 0 "[ . 1 . 2]" 1
1326 1 68 ILE HG12 1 74 HIS HE1 4.310 . 4.440 3.046 2.635 3.415 . 0 0 "[ . 1 . 2]" 1
1327 1 68 ILE HG13 1 74 HIS HE1 4.310 . 4.440 4.236 3.883 4.464 0.024 1 0 "[ . 1 . 2]" 1
1328 1 68 ILE MD 1 69 VAL MG1 4.430 . 4.560 4.202 4.037 4.342 . 0 0 "[ . 1 . 2]" 1
1329 1 68 ILE MD 1 69 VAL MG2 5.160 . 5.310 5.216 4.989 5.331 0.021 7 0 "[ . 1 . 2]" 1
1330 1 68 ILE MD 1 74 HIS HE1 4.900 . 5.050 4.488 4.103 4.834 . 0 0 "[ . 1 . 2]" 1
1331 1 68 ILE MD 1 83 VAL MG1 5.430 . 5.590 4.297 3.723 5.036 . 0 0 "[ . 1 . 2]" 1
1332 1 68 ILE MD 1 83 VAL MG2 5.430 . 5.590 4.656 4.188 5.056 . 0 0 "[ . 1 . 2]" 1
1333 1 68 ILE MD 1 83 VAL QG 4.270 . 4.400 3.874 3.618 4.172 . 0 0 "[ . 1 . 2]" 1
1334 1 68 ILE QG 1 74 HIS HE1 3.680 . 3.790 2.979 2.595 3.313 . 0 0 "[ . 1 . 2]" 1
1335 1 68 ILE QG 1 83 VAL QG 4.670 . 4.810 4.179 4.073 4.303 . 0 0 "[ . 1 . 2]" 1
1336 1 68 ILE HG12 1 68 ILE MG 3.410 . 3.510 2.348 2.333 2.386 . 0 0 "[ . 1 . 2]" 1
1337 1 68 ILE HG13 1 68 ILE MG 3.410 . 3.510 3.200 3.196 3.204 . 0 0 "[ . 1 . 2]" 1
1338 1 68 ILE MD 1 68 ILE MG 2.720 . 2.800 1.984 1.930 2.017 . 0 0 "[ . 1 . 2]" 1
1339 1 68 ILE QG 1 68 ILE MG 2.970 . 3.060 2.292 2.279 2.324 . 0 0 "[ . 1 . 2]" 1
1340 1 68 ILE MG 1 69 VAL HA 3.400 . 3.500 3.177 3.052 3.346 . 0 0 "[ . 1 . 2]" 1
1341 1 68 ILE MG 1 69 VAL HB 5.260 . 5.420 5.010 4.882 5.163 . 0 0 "[ . 1 . 2]" 1
1342 1 68 ILE MG 1 69 VAL MG1 4.070 . 4.190 3.138 2.947 3.263 . 0 0 "[ . 1 . 2]" 1
1343 1 68 ILE MG 1 69 VAL MG2 4.670 . 4.810 4.459 4.328 4.541 . 0 0 "[ . 1 . 2]" 1
1344 1 68 ILE MG 1 71 GLN QE 5.340 . 5.500 4.684 4.318 5.030 . 0 0 "[ . 1 . 2]" 1
1345 1 68 ILE MG 1 74 HIS HD2 3.650 . 3.760 3.722 3.556 3.824 0.064 11 0 "[ . 1 . 2]" 1
1346 1 68 ILE MG 1 74 HIS HE1 3.050 . 3.140 2.728 2.408 3.059 . 0 0 "[ . 1 . 2]" 1
1347 1 68 ILE MG 1 83 VAL HA 5.150 . 5.300 4.947 4.749 5.133 . 0 0 "[ . 1 . 2]" 1
1348 1 68 ILE MG 1 83 VAL HB 3.590 . 3.700 3.231 3.024 3.392 . 0 0 "[ . 1 . 2]" 1
1349 1 68 ILE MG 1 83 VAL MG1 3.320 . 3.420 2.341 1.784 3.251 0.016 19 0 "[ . 1 . 2]" 1
1350 1 68 ILE MG 1 83 VAL MG2 3.320 . 3.420 2.609 1.859 3.335 . 0 0 "[ . 1 . 2]" 1
1351 1 68 ILE MG 1 83 VAL QG 2.580 . 2.660 1.842 1.769 1.980 0.031 19 0 "[ . 1 . 2]" 1
1352 1 68 ILE MG 1 84 ARG H 4.920 . 5.070 4.953 4.537 5.152 0.082 13 0 "[ . 1 . 2]" 1
1353 1 68 ILE MG 1 85 LYS HA 5.500 . 5.660 5.648 5.233 5.756 0.096 3 0 "[ . 1 . 2]" 1
1354 1 69 VAL H 1 69 VAL HB 3.630 . 3.740 3.626 3.605 3.650 . 0 0 "[ . 1 . 2]" 1
1355 1 69 VAL H 1 69 VAL MG2 2.950 . 3.040 2.024 1.923 2.108 . 0 0 "[ . 1 . 2]" 1
1356 1 69 VAL H 1 70 ILE H 3.970 . 4.090 2.644 2.527 2.746 . 0 0 "[ . 1 . 2]" 1
1357 1 69 VAL H 1 70 ILE HA 5.500 . 5.660 5.172 5.036 5.286 . 0 0 "[ . 1 . 2]" 1
1358 1 69 VAL H 1 71 GLN H 4.420 . 4.550 4.361 4.154 4.569 0.019 6 0 "[ . 1 . 2]" 1
1359 1 69 VAL H 1 83 VAL QG 4.930 . 5.080 4.430 4.188 4.661 . 0 0 "[ . 1 . 2]" 1
1360 1 69 VAL HA 1 69 VAL HB 3.020 . 3.110 2.449 2.420 2.487 . 0 0 "[ . 1 . 2]" 1
1361 1 69 VAL HA 1 69 VAL MG2 3.330 . 3.430 3.207 3.201 3.213 . 0 0 "[ . 1 . 2]" 1
1362 1 69 VAL HA 1 70 ILE HG13 5.500 . 5.660 4.946 4.861 5.040 . 0 0 "[ . 1 . 2]" 1
1363 1 69 VAL HA 1 74 HIS HD2 5.500 . 5.660 5.568 5.297 5.721 0.061 18 0 "[ . 1 . 2]" 1
1364 1 69 VAL HA 1 83 VAL QG 4.220 . 4.350 3.029 2.602 3.428 . 0 0 "[ . 1 . 2]" 1
1365 1 69 VAL HA 1 84 ARG HA 4.610 . 4.750 3.608 2.833 4.309 . 0 0 "[ . 1 . 2]" 1
1366 1 69 VAL HA 1 85 LYS QG 5.340 . 5.500 4.251 3.648 5.508 0.008 16 0 "[ . 1 . 2]" 1
1367 1 69 VAL HB 1 70 ILE H 5.500 . 5.660 4.123 3.984 4.277 . 0 0 "[ . 1 . 2]" 1
1368 1 69 VAL HB 1 70 ILE HA 4.960 . 5.110 4.634 4.513 4.770 . 0 0 "[ . 1 . 2]" 1
1369 1 69 VAL HB 1 84 ARG HA 4.420 . 4.550 4.120 3.263 4.391 . 0 0 "[ . 1 . 2]" 1
1370 1 69 VAL HB 1 85 LYS H 3.920 . 4.040 3.687 3.036 4.038 . 0 0 "[ . 1 . 2]" 1
1371 1 69 VAL HB 1 85 LYS QB 5.340 . 5.500 3.930 2.171 4.538 . 0 0 "[ . 1 . 2]" 1
1372 1 69 VAL HB 1 85 LYS QD 5.340 . 5.500 3.019 1.763 4.898 0.037 9 0 "[ . 1 . 2]" 1
1373 1 69 VAL HB 1 85 LYS QE 4.990 . 5.140 2.986 1.748 4.728 0.052 13 0 "[ . 1 . 2]" 1
1374 1 69 VAL MG1 1 84 ARG HA 5.050 . 5.200 3.725 2.906 4.144 . 0 0 "[ . 1 . 2]" 1
1375 1 69 VAL MG1 1 85 LYS HA 3.080 . 3.170 2.424 2.159 2.656 . 0 0 "[ . 1 . 2]" 1
1376 1 69 VAL MG1 1 85 LYS QD 4.320 . 4.450 3.513 2.922 4.464 0.014 4 0 "[ . 1 . 2]" 1
1377 1 69 VAL MG1 1 85 LYS QG 3.620 . 3.730 2.208 1.781 3.820 0.090 16 0 "[ . 1 . 2]" 1
1378 1 69 VAL MG2 1 70 ILE H 3.770 . 3.880 2.654 2.486 2.907 . 0 0 "[ . 1 . 2]" 1
1379 1 69 VAL MG2 1 70 ILE HG12 4.800 . 4.940 4.658 4.483 4.938 . 0 0 "[ . 1 . 2]" 1
1380 1 69 VAL MG2 1 70 ILE HG13 4.010 . 4.130 3.943 3.767 4.153 0.023 17 0 "[ . 1 . 2]" 1
1381 1 69 VAL MG2 1 84 ARG HA 5.420 . 5.580 5.430 4.727 5.687 0.107 13 0 "[ . 1 . 2]" 1
1382 1 69 VAL MG2 1 85 LYS QE 4.040 . 4.160 2.719 1.765 3.918 0.035 2 0 "[ . 1 . 2]" 1
1383 1 69 VAL MG2 1 85 LYS QG 4.230 . 4.360 2.892 2.334 4.408 0.048 16 0 "[ . 1 . 2]" 1
1384 1 70 ILE H 1 70 ILE HB 3.730 . 3.840 3.628 3.608 3.649 . 0 0 "[ . 1 . 2]" 1
1385 1 70 ILE H 1 70 ILE HG12 4.160 . 4.280 3.178 3.066 3.266 . 0 0 "[ . 1 . 2]" 1
1386 1 70 ILE H 1 70 ILE HG13 4.190 . 4.320 1.766 1.677 1.855 0.123 6 0 "[ . 1 . 2]" 1
1387 1 70 ILE H 1 71 GLN H 2.950 . 3.040 2.522 2.360 2.642 . 0 0 "[ . 1 . 2]" 1
1388 1 70 ILE HA 1 70 ILE HB 2.840 . 2.930 2.533 2.500 2.578 . 0 0 "[ . 1 . 2]" 1
1389 1 70 ILE HA 1 70 ILE HG13 3.740 . 3.850 3.556 3.531 3.575 . 0 0 "[ . 1 . 2]" 1
1390 1 70 ILE HA 1 70 ILE MD 3.740 . 3.850 3.773 3.745 3.827 . 0 0 "[ . 1 . 2]" 1
1391 1 70 ILE HA 1 70 ILE MG 2.720 . 2.800 2.242 2.202 2.282 . 0 0 "[ . 1 . 2]" 1
1392 1 70 ILE HA 1 71 GLN H 3.560 . 3.670 3.470 3.417 3.500 . 0 0 "[ . 1 . 2]" 1
1393 1 70 ILE HA 1 71 GLN HA 4.880 . 5.030 4.531 4.445 4.582 . 0 0 "[ . 1 . 2]" 1
1394 1 70 ILE HB 1 70 ILE MD 2.940 . 3.030 2.280 2.254 2.310 . 0 0 "[ . 1 . 2]" 1
1395 1 70 ILE HB 1 71 GLN HA 4.880 . 5.030 4.538 4.473 4.614 . 0 0 "[ . 1 . 2]" 1
1396 1 70 ILE HG12 1 71 GLN H 3.880 . 4.000 4.083 4.047 4.148 0.148 6 0 "[ . 1 . 2]" 1
1397 1 70 ILE HG13 1 71 GLN H 3.440 . 3.540 2.547 2.437 2.818 . 0 0 "[ . 1 . 2]" 1
1398 1 70 ILE HG13 1 71 GLN HA 5.220 . 5.380 4.990 4.746 5.391 0.011 6 0 "[ . 1 . 2]" 1
1399 1 70 ILE MD 1 71 GLN H 3.360 . 3.460 2.305 1.932 2.539 . 0 0 "[ . 1 . 2]" 1
1400 1 70 ILE MD 1 71 GLN QE 4.670 . 4.810 4.573 4.153 4.859 0.049 10 0 "[ . 1 . 2]" 1
1401 1 70 ILE HG12 1 70 ILE MG 2.910 . 3.000 2.168 2.154 2.187 . 0 0 "[ . 1 . 2]" 1
1402 1 70 ILE HG13 1 70 ILE MG 2.840 . 2.930 2.691 2.635 2.756 . 0 0 "[ . 1 . 2]" 1
1403 1 71 GLN H 1 71 GLN QE 5.200 . 5.360 4.896 4.338 5.245 . 0 0 "[ . 1 . 2]" 1
1404 1 71 GLN HA 1 72 LYS HA 4.950 . 5.100 4.364 4.323 4.460 . 0 0 "[ . 1 . 2]" 1
1405 1 71 GLN HA 1 73 TYR H 5.090 . 5.240 4.827 4.585 5.203 . 0 0 "[ . 1 . 2]" 1
1406 1 71 GLN HE21 1 74 HIS HA 3.240 . 3.340 2.769 2.393 3.376 0.036 5 0 "[ . 1 . 2]" 1
1407 1 71 GLN HE21 1 74 HIS HE1 3.980 . 4.100 3.452 2.945 4.110 0.010 13 0 "[ . 1 . 2]" 1
1408 1 71 GLN HE22 1 74 HIS HA 3.240 . 3.340 3.097 2.837 3.361 0.021 15 0 "[ . 1 . 2]" 1
1409 1 71 GLN HE22 1 74 HIS HE1 3.980 . 4.100 3.991 3.721 4.131 0.031 13 0 "[ . 1 . 2]" 1
1410 1 71 GLN QE 1 72 LYS HA 5.340 . 5.500 5.418 4.705 5.581 0.081 6 0 "[ . 1 . 2]" 1
1411 1 71 GLN QE 1 73 TYR H 4.930 . 5.080 4.564 3.663 5.111 0.031 12 0 "[ . 1 . 2]" 1
1412 1 71 GLN QE 1 74 HIS H 4.600 . 4.740 4.289 3.895 4.701 . 0 0 "[ . 1 . 2]" 1
1413 1 71 GLN QE 1 74 HIS HA 2.790 . 2.870 2.572 2.273 2.880 0.010 5 0 "[ . 1 . 2]" 1
1414 1 71 GLN QE 1 74 HIS HB3 4.740 . 4.880 3.958 3.620 4.268 . 0 0 "[ . 1 . 2]" 1
1415 1 71 GLN QE 1 75 THR H 4.000 . 4.120 4.042 3.675 4.191 0.071 13 0 "[ . 1 . 2]" 1
1416 1 71 GLN QE 1 83 VAL QG 4.900 . 5.050 4.307 3.827 4.763 . 0 0 "[ . 1 . 2]" 1
1417 1 72 LYS HA 1 72 LYS HG2 3.520 . 3.630 3.258 3.037 3.574 . 0 0 "[ . 1 . 2]" 1
1418 1 72 LYS HA 1 72 LYS QD 4.310 . 4.440 3.974 3.635 4.068 . 0 0 "[ . 1 . 2]" 1
1419 1 72 LYS HA 1 72 LYS QE 4.960 . 5.110 4.759 4.587 5.018 . 0 0 "[ . 1 . 2]" 1
1420 1 72 LYS HA 1 72 LYS QG 2.980 . 3.070 2.521 2.423 2.593 . 0 0 "[ . 1 . 2]" 1
1421 1 72 LYS HA 1 73 TYR HA 4.980 . 5.130 4.599 4.513 4.654 . 0 0 "[ . 1 . 2]" 1
1422 1 72 LYS HA 1 73 TYR QD 4.870 . 5.020 4.845 4.306 5.094 0.074 13 0 "[ . 1 . 2]" 1
1423 1 72 LYS HA 1 74 HIS HD2 3.970 . 4.090 3.660 3.492 3.947 . 0 0 "[ . 1 . 2]" 1
1424 1 72 LYS HA 1 82 GLU HA 5.330 . 5.490 4.275 3.949 4.712 . 0 0 "[ . 1 . 2]" 1
1425 1 72 LYS HA 1 83 VAL HB 5.500 . 5.660 4.476 3.535 5.756 0.096 5 0 "[ . 1 . 2]" 1
1426 1 72 LYS HA 1 83 VAL MG1 4.530 . 4.670 4.553 4.419 4.675 0.005 14 0 "[ . 1 . 2]" 1
1427 1 72 LYS HA 1 83 VAL MG2 4.530 . 4.670 4.002 2.861 4.760 0.090 1 0 "[ . 1 . 2]" 1
1428 1 72 LYS HA 1 83 VAL QG 3.960 . 4.080 3.642 2.830 4.189 0.109 4 0 "[ . 1 . 2]" 1
1429 1 72 LYS QE 1 72 LYS HG2 2.920 . 3.010 2.401 2.306 2.547 . 0 0 "[ . 1 . 2]" 1
1430 1 72 LYS HG2 1 73 TYR H 5.130 . 5.280 3.074 2.818 3.476 . 0 0 "[ . 1 . 2]" 1
1431 1 72 LYS HG2 1 73 TYR HA 5.030 . 5.180 3.438 3.258 3.766 . 0 0 "[ . 1 . 2]" 1
1432 1 72 LYS HG2 1 73 TYR QD 3.890 . 4.010 2.405 1.868 2.701 . 0 0 "[ . 1 . 2]" 1
1433 1 72 LYS HG2 1 82 GLU HA 4.700 . 4.840 3.037 2.601 3.522 . 0 0 "[ . 1 . 2]" 1
1434 1 72 LYS HG2 1 82 GLU HG2 4.280 . 4.410 3.647 1.840 4.295 . 0 0 "[ . 1 . 2]" 1
1435 1 72 LYS QB 1 72 LYS QE 4.160 . 4.280 3.532 3.503 3.654 . 0 0 "[ . 1 . 2]" 1
1436 1 72 LYS QB 1 73 TYR HA 4.970 . 5.120 4.260 4.126 4.346 . 0 0 "[ . 1 . 2]" 1
1437 1 72 LYS QB 1 73 TYR QD 4.790 . 4.930 3.623 2.755 4.053 . 0 0 "[ . 1 . 2]" 1
1438 1 72 LYS QB 1 73 TYR QE 5.500 . 5.660 4.404 3.788 4.679 . 0 0 "[ . 1 . 2]" 1
1439 1 72 LYS QB 1 83 VAL QG 5.440 . 5.600 4.952 4.394 5.339 . 0 0 "[ . 1 . 2]" 1
1440 1 72 LYS QD 1 73 TYR H 4.310 . 4.440 3.986 3.565 4.353 . 0 0 "[ . 1 . 2]" 1
1441 1 72 LYS QD 1 73 TYR HA 5.500 . 5.660 5.173 4.840 5.583 . 0 0 "[ . 1 . 2]" 1
1442 1 72 LYS QD 1 73 TYR QD 3.910 . 4.030 3.766 2.641 4.102 0.072 3 0 "[ . 1 . 2]" 1
1443 1 72 LYS QD 1 73 TYR QE 3.530 . 3.640 3.381 2.817 3.675 0.035 20 0 "[ . 1 . 2]" 1
1444 1 72 LYS QD 1 82 GLU HA 5.350 . 5.510 4.910 4.545 5.281 . 0 0 "[ . 1 . 2]" 1
1445 1 72 LYS QD 1 82 GLU HG2 4.470 . 4.600 4.469 3.573 4.711 0.111 1 0 "[ . 1 . 2]" 1
1446 1 72 LYS QD 1 82 GLU QB 5.130 . 5.280 4.489 4.020 4.979 . 0 0 "[ . 1 . 2]" 1
1447 1 72 LYS QD 1 83 VAL H 5.120 . 5.270 5.200 4.925 5.366 0.096 2 0 "[ . 1 . 2]" 1
1448 1 72 LYS QE 1 73 TYR HA 5.500 . 5.660 4.998 4.680 5.453 . 0 0 "[ . 1 . 2]" 1
1449 1 72 LYS QE 1 73 TYR QD 3.640 . 3.750 3.406 2.772 3.774 0.024 17 0 "[ . 1 . 2]" 1
1450 1 72 LYS QE 1 73 TYR QE 3.120 . 3.210 2.045 1.777 2.539 0.023 6 0 "[ . 1 . 2]" 1
1451 1 72 LYS QE 1 82 GLU HA 4.900 . 5.050 4.035 3.583 4.527 . 0 0 "[ . 1 . 2]" 1
1452 1 72 LYS QE 1 82 GLU HG2 4.050 . 4.170 3.199 2.368 3.530 . 0 0 "[ . 1 . 2]" 1
1453 1 72 LYS QE 1 82 GLU QB 3.550 . 3.660 2.917 2.329 3.566 . 0 0 "[ . 1 . 2]" 1
1454 1 72 LYS QE 1 82 GLU QG 3.550 . 3.660 1.887 1.743 2.184 0.057 2 0 "[ . 1 . 2]" 1
1455 1 72 LYS QG 1 73 TYR HA 4.370 . 4.500 3.355 3.193 3.681 . 0 0 "[ . 1 . 2]" 1
1456 1 72 LYS QG 1 73 TYR QD 3.390 . 3.490 2.384 1.862 2.662 . 0 0 "[ . 1 . 2]" 1
1457 1 72 LYS QG 1 73 TYR QE 3.360 . 3.460 3.006 2.789 3.162 . 0 0 "[ . 1 . 2]" 1
1458 1 72 LYS QG 1 74 HIS HD2 5.340 . 5.500 4.953 4.811 5.179 . 0 0 "[ . 1 . 2]" 1
1459 1 72 LYS QG 1 82 GLU HA 4.120 . 4.240 2.866 2.472 3.195 . 0 0 "[ . 1 . 2]" 1
1460 1 72 LYS QG 1 82 GLU QB 3.540 . 3.650 3.179 2.779 3.519 . 0 0 "[ . 1 . 2]" 1
1461 1 72 LYS QG 1 82 GLU QG 3.360 . 3.460 1.825 1.717 2.066 0.083 15 0 "[ . 1 . 2]" 1
1462 1 72 LYS QG 1 83 VAL QG 4.760 . 4.900 4.374 3.860 4.778 . 0 0 "[ . 1 . 2]" 1
1463 1 73 TYR H 1 73 TYR HB3 3.800 . 3.910 3.587 3.475 3.624 . 0 0 "[ . 1 . 2]" 1
1464 1 73 TYR H 1 74 HIS H 4.680 . 4.820 4.326 4.199 4.446 . 0 0 "[ . 1 . 2]" 1
1465 1 73 TYR H 1 74 HIS HD2 5.190 . 5.350 4.526 4.258 4.864 . 0 0 "[ . 1 . 2]" 1
1466 1 73 TYR H 1 82 GLU QB 5.340 . 5.500 5.601 5.523 5.636 0.136 7 0 "[ . 1 . 2]" 1
1467 1 73 TYR HA 1 73 TYR QD 2.880 . 2.970 2.053 1.792 2.836 0.008 7 0 "[ . 1 . 2]" 1
1468 1 73 TYR HA 1 73 TYR QE 4.320 . 4.450 4.287 4.144 4.563 0.113 13 0 "[ . 1 . 2]" 1
1469 1 73 TYR HA 1 74 HIS HA 5.090 . 5.240 4.388 4.368 4.421 . 0 0 "[ . 1 . 2]" 1
1470 1 73 TYR HA 1 74 HIS HD2 4.740 . 4.880 4.112 3.757 4.460 . 0 0 "[ . 1 . 2]" 1
1471 1 73 TYR HA 1 81 CYS QB 5.500 . 5.660 5.027 4.642 5.501 . 0 0 "[ . 1 . 2]" 1
1472 1 73 TYR HA 1 82 GLU HA 3.440 . 3.540 2.606 2.248 2.927 . 0 0 "[ . 1 . 2]" 1
1473 1 73 TYR HA 1 82 GLU QB 4.200 . 4.330 4.098 3.830 4.340 0.010 12 0 "[ . 1 . 2]" 1
1474 1 73 TYR HA 1 82 GLU QG 5.200 . 5.360 4.460 3.973 5.008 . 0 0 "[ . 1 . 2]" 1
1475 1 73 TYR HA 1 83 VAL QG 4.750 . 4.890 4.087 3.545 4.550 . 0 0 "[ . 1 . 2]" 1
1476 1 73 TYR HB3 1 80 ASN HA 5.230 . 5.390 4.440 4.081 4.822 . 0 0 "[ . 1 . 2]" 1
1477 1 73 TYR HB3 1 80 ASN HD21 3.960 . 4.080 3.375 2.466 4.046 . 0 0 "[ . 1 . 2]" 1
1478 1 73 TYR HB3 1 80 ASN HD22 3.960 . 4.080 2.320 1.786 4.092 0.014 10 0 "[ . 1 . 2]" 1
1479 1 73 TYR HB3 1 80 ASN QD 3.430 . 3.530 2.142 1.779 2.550 0.021 10 0 "[ . 1 . 2]" 1
1480 1 73 TYR HB3 1 82 GLU HA 5.400 . 5.560 4.939 4.318 5.393 . 0 0 "[ . 1 . 2]" 1
1481 1 73 TYR QD 1 81 CYS HA 5.470 . 5.630 4.835 3.554 5.645 0.015 2 0 "[ . 1 . 2]" 1
1482 1 73 TYR QD 1 82 GLU HA 3.140 . 3.230 2.618 1.972 3.186 . 0 0 "[ . 1 . 2]" 1
1483 1 73 TYR QD 1 82 GLU HG2 5.210 . 5.370 4.662 2.973 5.407 0.037 13 0 "[ . 1 . 2]" 1
1484 1 73 TYR QD 1 82 GLU QB 3.060 . 3.150 2.990 2.560 3.249 0.099 1 0 "[ . 1 . 2]" 1
1485 1 73 TYR QD 1 82 GLU QG 4.440 . 4.570 3.574 2.678 4.205 . 0 0 "[ . 1 . 2]" 1
1486 1 73 TYR QD 1 83 VAL QG 5.440 . 5.600 5.036 4.389 5.381 . 0 0 "[ . 1 . 2]" 1
1487 1 73 TYR QE 1 80 ASN HD21 5.280 . 5.440 4.927 4.143 5.491 0.051 11 0 "[ . 1 . 2]" 1
1488 1 73 TYR QE 1 80 ASN HD22 5.280 . 5.440 4.210 3.543 5.467 0.027 8 0 "[ . 1 . 2]" 1
1489 1 73 TYR QE 1 80 ASN QD 4.540 . 4.680 3.919 3.378 4.572 . 0 0 "[ . 1 . 2]" 1
1490 1 73 TYR QE 1 82 GLU QB 2.960 . 3.050 2.612 1.941 3.004 . 0 0 "[ . 1 . 2]" 1
1491 1 73 TYR QE 1 82 GLU QG 4.520 . 4.660 3.346 2.161 4.125 . 0 0 "[ . 1 . 2]" 1
1492 1 74 HIS H 1 74 HIS HD2 4.130 . 4.250 3.188 2.910 3.472 . 0 0 "[ . 1 . 2]" 1
1493 1 74 HIS H 1 75 THR H 4.680 . 4.820 4.480 4.351 4.555 . 0 0 "[ . 1 . 2]" 1
1494 1 74 HIS H 1 76 VAL QG 5.040 . 5.190 4.716 4.183 5.087 . 0 0 "[ . 1 . 2]" 1
1495 1 74 HIS H 1 80 ASN QD 5.340 . 5.500 4.901 4.346 5.533 0.033 6 0 "[ . 1 . 2]" 1
1496 1 74 HIS H 1 81 CYS QB 4.650 . 4.790 4.017 3.374 4.599 . 0 0 "[ . 1 . 2]" 1
1497 1 74 HIS H 1 83 VAL H 4.930 . 5.080 3.805 3.494 4.359 . 0 0 "[ . 1 . 2]" 1
1498 1 74 HIS H 1 83 VAL QG 3.550 . 3.660 3.010 2.652 3.573 . 0 0 "[ . 1 . 2]" 1
1499 1 74 HIS HA 1 74 HIS HD2 4.300 . 4.430 3.829 3.660 4.087 . 0 0 "[ . 1 . 2]" 1
1500 1 74 HIS HA 1 74 HIS HE1 5.140 . 5.290 5.058 4.921 5.207 . 0 0 "[ . 1 . 2]" 1
1501 1 74 HIS HA 1 75 THR H 2.940 . 3.030 2.321 2.158 2.691 . 0 0 "[ . 1 . 2]" 1
1502 1 74 HIS HA 1 75 THR HB 4.950 . 5.100 4.764 4.647 4.963 . 0 0 "[ . 1 . 2]" 1
1503 1 74 HIS HA 1 76 VAL QG 5.330 . 5.490 4.854 4.248 5.449 . 0 0 "[ . 1 . 2]" 1
1504 1 74 HIS HA 1 83 VAL QG 4.580 . 4.720 4.325 3.992 4.684 . 0 0 "[ . 1 . 2]" 1
1505 1 74 HIS HB3 1 74 HIS HD2 3.960 . 4.080 3.926 3.898 3.950 . 0 0 "[ . 1 . 2]" 1
1506 1 74 HIS HB3 1 74 HIS HE1 4.790 . 4.930 4.686 4.666 4.701 . 0 0 "[ . 1 . 2]" 1
1507 1 74 HIS HB3 1 75 THR H 3.730 . 3.840 2.724 1.943 3.161 . 0 0 "[ . 1 . 2]" 1
1508 1 74 HIS HB3 1 75 THR HB 5.500 . 5.660 5.160 4.804 5.417 . 0 0 "[ . 1 . 2]" 1
1509 1 74 HIS HB3 1 75 THR MG 5.500 . 5.660 5.664 5.427 5.819 0.159 6 0 "[ . 1 . 2]" 1
1510 1 74 HIS HB3 1 76 VAL HB 5.500 . 5.660 4.913 3.886 5.703 0.043 1 0 "[ . 1 . 2]" 1
1511 1 74 HIS HB3 1 76 VAL QG 4.160 . 4.280 3.156 2.417 3.993 . 0 0 "[ . 1 . 2]" 1
1512 1 74 HIS HB3 1 81 CYS QB 5.500 . 5.660 5.014 3.645 5.698 0.038 7 0 "[ . 1 . 2]" 1
1513 1 74 HIS HB3 1 83 VAL HB 5.500 . 5.660 5.441 4.809 5.889 0.229 8 0 "[ . 1 . 2]" 1
1514 1 74 HIS HB3 1 83 VAL MG1 5.280 . 5.440 4.418 3.052 5.468 0.028 14 0 "[ . 1 . 2]" 1
1515 1 74 HIS HB3 1 83 VAL MG2 5.280 . 5.440 3.847 3.287 4.531 . 0 0 "[ . 1 . 2]" 1
1516 1 74 HIS HB3 1 83 VAL QG 3.930 . 4.050 3.280 2.996 3.616 . 0 0 "[ . 1 . 2]" 1
1517 1 74 HIS HD2 1 82 GLU HA 4.450 . 4.580 4.543 4.357 4.646 0.066 18 0 "[ . 1 . 2]" 1
1518 1 74 HIS HD2 1 83 VAL HA 4.940 . 5.090 4.901 4.560 5.195 0.105 15 0 "[ . 1 . 2]" 1
1519 1 74 HIS HD2 1 83 VAL MG1 3.570 . 3.680 3.135 2.363 3.652 . 0 0 "[ . 1 . 2]" 1
1520 1 74 HIS HD2 1 83 VAL MG2 3.570 . 3.680 2.302 1.797 2.699 0.003 18 0 "[ . 1 . 2]" 1
1521 1 74 HIS HD2 1 83 VAL QG 2.570 . 2.650 2.244 1.772 2.632 0.028 18 0 "[ . 1 . 2]" 1
1522 1 74 HIS HE1 1 83 VAL QG 5.020 . 5.170 4.098 3.832 4.466 . 0 0 "[ . 1 . 2]" 1
1523 1 75 THR H 1 75 THR HB 3.350 . 3.450 2.649 2.524 2.862 . 0 0 "[ . 1 . 2]" 1
1524 1 75 THR H 1 76 VAL H 4.990 . 5.140 4.055 3.807 4.293 . 0 0 "[ . 1 . 2]" 1
1525 1 75 THR H 1 76 VAL QG 5.430 . 5.590 4.062 3.341 4.753 . 0 0 "[ . 1 . 2]" 1
1526 1 75 THR HB 1 76 VAL H 4.570 . 4.710 4.399 4.348 4.457 . 0 0 "[ . 1 . 2]" 1
1527 1 75 THR HB 1 76 VAL QG 5.440 . 5.600 4.947 4.604 5.356 . 0 0 "[ . 1 . 2]" 1
1528 1 75 THR MG 1 78 GLY QA 3.330 . 3.430 2.489 1.936 2.869 . 0 0 "[ . 1 . 2]" 1
1529 1 75 THR MG 1 79 HIS HA 4.570 . 4.710 3.911 3.387 4.316 . 0 0 "[ . 1 . 2]" 1
1530 1 75 THR HA 1 79 HIS H 4.110 . 4.230 4.151 3.889 4.312 0.082 14 0 "[ . 1 . 2]" 1
1531 1 76 VAL H 1 76 VAL MG1 4.170 . 4.300 3.246 1.944 3.898 . 0 0 "[ . 1 . 2]" 1
1532 1 76 VAL H 1 76 VAL MG2 4.170 . 4.300 2.997 2.275 3.885 . 0 0 "[ . 1 . 2]" 1
1533 1 76 VAL H 1 76 VAL QG 3.580 . 3.690 2.356 1.938 2.613 . 0 0 "[ . 1 . 2]" 1
1534 1 76 VAL H 1 77 ASN H 5.270 . 5.430 4.408 4.351 4.468 . 0 0 "[ . 1 . 2]" 1
1535 1 76 VAL H 1 79 HIS H 4.530 . 4.670 3.337 3.038 3.664 . 0 0 "[ . 1 . 2]" 1
1536 1 76 VAL H 1 81 CYS H 4.820 . 4.960 3.543 3.117 3.820 . 0 0 "[ . 1 . 2]" 1
1537 1 76 VAL HA 1 76 VAL MG1 3.340 . 3.440 2.646 2.280 3.218 . 0 0 "[ . 1 . 2]" 1
1538 1 76 VAL HA 1 76 VAL MG2 3.340 . 3.440 2.446 2.391 2.532 . 0 0 "[ . 1 . 2]" 1
1539 1 76 VAL HA 1 76 VAL QG 2.690 . 2.770 2.211 2.116 2.393 . 0 0 "[ . 1 . 2]" 1
1540 1 76 VAL HA 1 77 ASN H 2.980 . 3.070 2.186 2.154 2.237 . 0 0 "[ . 1 . 2]" 1
1541 1 76 VAL HA 1 77 ASN HA 4.940 . 5.090 4.400 4.374 4.460 . 0 0 "[ . 1 . 2]" 1
1542 1 76 VAL HA 1 77 ASN HB2 4.980 . 5.130 4.746 4.511 5.002 . 0 0 "[ . 1 . 2]" 1
1543 1 76 VAL HB 1 77 ASN H 4.290 . 4.420 4.061 3.910 4.140 . 0 0 "[ . 1 . 2]" 1
1544 1 76 VAL HB 1 77 ASN QB 5.340 . 5.500 4.246 3.640 5.050 . 0 0 "[ . 1 . 2]" 1
1545 1 76 VAL MG1 1 77 ASN H 4.330 . 4.460 3.051 2.448 4.028 . 0 0 "[ . 1 . 2]" 1
1546 1 76 VAL MG2 1 77 ASN H 4.330 . 4.460 3.514 2.383 4.172 . 0 0 "[ . 1 . 2]" 1
1547 1 76 VAL QG 1 77 ASN H 3.240 . 3.340 2.500 2.363 2.711 . 0 0 "[ . 1 . 2]" 1
1548 1 76 VAL QG 1 77 ASN HA 4.150 . 4.270 3.712 3.518 3.989 . 0 0 "[ . 1 . 2]" 1
1549 1 76 VAL QG 1 77 ASN QB 3.530 . 3.640 2.568 2.436 2.743 . 0 0 "[ . 1 . 2]" 1
1550 1 76 VAL QG 1 81 CYS QB 4.170 . 4.300 3.155 2.164 3.932 . 0 0 "[ . 1 . 2]" 1
1551 1 77 ASN H 1 77 ASN HB2 4.020 . 4.140 3.197 3.088 3.382 . 0 0 "[ . 1 . 2]" 1
1552 1 77 ASN H 1 77 ASN QB 3.470 . 3.570 2.993 2.928 3.064 . 0 0 "[ . 1 . 2]" 1
1553 1 77 ASN H 1 78 GLY H 2.830 . 2.910 2.659 2.542 2.940 0.030 14 0 "[ . 1 . 2]" 1
1554 1 77 ASN HA 1 78 GLY QA 5.340 . 5.500 4.139 4.072 4.231 . 0 0 "[ . 1 . 2]" 1
1555 1 77 ASN H 1 78 GLY QA 5.340 . 5.500 4.486 4.380 4.559 . 0 0 "[ . 1 . 2]" 1
1556 1 78 GLY QA 1 79 HIS HA 5.340 . 5.500 4.015 3.982 4.051 . 0 0 "[ . 1 . 2]" 1
1557 1 78 GLY H 1 79 HIS H 5.260 . 5.420 2.351 1.969 2.595 . 0 0 "[ . 1 . 2]" 1
1558 1 80 ASN H 1 80 ASN QD 5.150 . 5.300 4.417 4.114 4.622 . 0 0 "[ . 1 . 2]" 1
1559 1 80 ASN QB 1 81 CYS H 3.880 . 4.000 3.870 3.529 3.988 . 0 0 "[ . 1 . 2]" 1
1560 1 80 ASN QD 1 81 CYS H 5.170 . 5.330 4.339 3.805 5.323 . 0 0 "[ . 1 . 2]" 1
1561 1 81 CYS H 1 81 CYS QB 3.790 . 3.900 2.711 2.443 3.025 . 0 0 "[ . 1 . 2]" 1
1562 1 81 CYS HA 1 82 GLU QB 5.320 . 5.480 4.031 3.809 4.148 . 0 0 "[ . 1 . 2]" 1
1563 1 81 CYS HA 1 83 VAL QG 5.440 . 5.600 5.041 4.546 5.420 . 0 0 "[ . 1 . 2]" 1
1564 1 81 CYS QB 1 82 GLU HA 5.500 . 5.660 4.314 4.086 4.514 . 0 0 "[ . 1 . 2]" 1
1565 1 81 CYS QB 1 83 VAL HA 5.500 . 5.660 5.178 4.877 5.327 . 0 0 "[ . 1 . 2]" 1
1566 1 81 CYS QB 1 83 VAL QG 4.120 . 4.240 3.332 2.821 3.757 . 0 0 "[ . 1 . 2]" 1
1567 1 82 GLU HA 1 82 GLU HG2 3.880 . 4.000 2.973 2.470 3.187 . 0 0 "[ . 1 . 2]" 1
1568 1 82 GLU HA 1 82 GLU QG 3.330 . 3.430 2.589 2.428 2.694 . 0 0 "[ . 1 . 2]" 1
1569 1 82 GLU HA 1 83 VAL MG1 5.500 . 5.660 4.618 3.183 5.471 . 0 0 "[ . 1 . 2]" 1
1570 1 82 GLU HA 1 83 VAL MG2 5.500 . 5.660 3.875 3.507 4.422 . 0 0 "[ . 1 . 2]" 1
1571 1 82 GLU HA 1 83 VAL QG 4.260 . 4.390 3.439 3.096 3.628 . 0 0 "[ . 1 . 2]" 1
1572 1 82 GLU HG2 1 84 ARG HG2 5.500 . 5.660 3.215 2.642 4.483 . 0 0 "[ . 1 . 2]" 1
1573 1 82 GLU QB 1 83 VAL QG 4.850 . 5.000 4.461 4.320 4.586 . 0 0 "[ . 1 . 2]" 1
1574 1 82 GLU QG 1 83 VAL QG 5.280 . 5.440 4.083 3.820 4.605 . 0 0 "[ . 1 . 2]" 1
1575 1 82 GLU QG 1 84 ARG HG2 4.700 . 4.840 3.117 2.605 4.269 . 0 0 "[ . 1 . 2]" 1
1576 1 83 VAL HA 1 83 VAL MG1 3.270 . 3.370 2.459 2.354 2.637 . 0 0 "[ . 1 . 2]" 1
1577 1 83 VAL HA 1 83 VAL MG2 3.270 . 3.370 2.693 2.312 3.186 . 0 0 "[ . 1 . 2]" 1
1578 1 83 VAL HA 1 83 VAL QG 2.840 . 2.930 2.256 2.114 2.508 . 0 0 "[ . 1 . 2]" 1
1579 1 83 VAL HA 1 84 ARG H 2.830 . 2.910 2.181 2.103 2.275 . 0 0 "[ . 1 . 2]" 1
1580 1 83 VAL HA 1 84 ARG HA 4.660 . 4.800 4.426 4.391 4.477 . 0 0 "[ . 1 . 2]" 1
1581 1 83 VAL HA 1 84 ARG QD 5.340 . 5.500 5.366 4.526 5.524 0.024 3 0 "[ . 1 . 2]" 1
1582 1 83 VAL QG 1 84 ARG HA 4.200 . 4.330 3.324 2.968 3.579 . 0 0 "[ . 1 . 2]" 1
1583 1 84 ARG H 1 84 ARG QD 5.210 . 5.370 4.360 4.054 4.677 . 0 0 "[ . 1 . 2]" 1
1584 1 84 ARG HA 1 84 ARG HG2 4.070 . 4.190 3.022 2.690 3.637 . 0 0 "[ . 1 . 2]" 1
1585 1 84 ARG HA 1 84 ARG QD 4.960 . 5.110 4.089 3.915 4.250 . 0 0 "[ . 1 . 2]" 1
1586 1 84 ARG HA 1 85 LYS HA 5.500 . 5.660 4.383 4.265 4.458 . 0 0 "[ . 1 . 2]" 1
1587 1 84 ARG HB2 1 84 ARG HD2 3.870 . 3.990 2.592 2.385 3.268 . 0 0 "[ . 1 . 2]" 1
1588 1 84 ARG HB2 1 84 ARG QD 3.330 . 3.430 2.466 2.319 3.099 . 0 0 "[ . 1 . 2]" 1
1589 1 84 ARG QD 1 85 LYS H 5.340 . 5.500 4.374 3.971 4.998 . 0 0 "[ . 1 . 2]" 1
1590 1 85 LYS H 1 86 ALA H 4.510 . 4.650 4.507 4.411 4.587 . 0 0 "[ . 1 . 2]" 1
1591 1 85 LYS HA 1 85 LYS QB 2.590 . 2.670 2.329 2.166 2.411 . 0 0 "[ . 1 . 2]" 1
1592 1 85 LYS HA 1 86 ALA H 2.610 . 2.690 2.185 2.135 2.216 . 0 0 "[ . 1 . 2]" 1
1593 1 85 LYS HA 1 86 ALA MB 4.960 . 5.110 4.029 3.936 4.078 . 0 0 "[ . 1 . 2]" 1
1594 1 87 LEU HA 1 87 LEU HG 3.650 . 3.760 3.738 3.701 3.774 0.014 19 0 "[ . 1 . 2]" 1
1595 1 87 LEU HA 1 87 LEU MD1 4.160 . 4.280 4.106 4.094 4.123 . 0 0 "[ . 1 . 2]" 1
1596 1 87 LEU HA 1 87 LEU MD2 4.160 . 4.280 3.577 3.551 3.605 . 0 0 "[ . 1 . 2]" 1
1597 1 87 LEU HA 1 87 LEU QD 3.370 . 3.470 3.367 3.353 3.383 . 0 0 "[ . 1 . 2]" 1
1598 1 87 LEU HA 1 88 SER HA 4.650 . 4.790 4.297 4.246 4.334 . 0 0 "[ . 1 . 2]" 1
1599 1 87 LEU HA 1 88 SER QB 5.050 . 5.200 4.465 4.058 4.714 . 0 0 "[ . 1 . 2]" 1
1600 1 87 LEU HG 1 88 SER H 4.340 . 4.470 3.976 3.717 4.297 . 0 0 "[ . 1 . 2]" 1
1601 1 87 LEU HG 1 91 GLU H 4.840 . 4.990 4.905 4.564 5.063 0.073 12 0 "[ . 1 . 2]" 1
1602 1 87 LEU HG 1 92 MET H 4.760 . 4.900 3.220 2.837 3.507 . 0 0 "[ . 1 . 2]" 1
1603 1 87 LEU QB 1 87 LEU QD 2.610 . 2.690 1.928 1.917 1.938 . 0 0 "[ . 1 . 2]" 1
1604 1 87 LEU QB 1 88 SER HA 5.310 . 5.470 4.947 4.865 5.015 . 0 0 "[ . 1 . 2]" 1
1605 1 87 LEU QB 1 88 SER QB 5.180 . 5.340 4.464 4.065 4.763 . 0 0 "[ . 1 . 2]" 1
1606 1 87 LEU QB 1 92 MET HA 5.240 . 5.400 4.369 4.023 4.889 . 0 0 "[ . 1 . 2]" 1
1607 1 87 LEU QB 1 92 MET HB3 4.300 . 4.430 3.856 3.610 4.067 . 0 0 "[ . 1 . 2]" 1
1608 1 87 LEU QD 1 88 SER H 4.310 . 4.440 4.080 3.927 4.253 . 0 0 "[ . 1 . 2]" 1
1609 1 87 LEU QD 1 88 SER HA 4.810 . 4.950 4.893 4.721 4.978 0.028 16 0 "[ . 1 . 2]" 1
1610 1 87 LEU QD 1 88 SER QB 5.270 . 5.430 4.831 4.459 5.076 . 0 0 "[ . 1 . 2]" 1
1611 1 87 LEU QD 1 89 LYS HA 5.220 . 5.380 4.546 4.207 4.883 . 0 0 "[ . 1 . 2]" 1
1612 1 87 LEU QD 1 92 MET H 3.670 . 3.780 3.272 3.107 3.447 . 0 0 "[ . 1 . 2]" 1
1613 1 87 LEU QD 1 92 MET HA 3.500 . 3.600 2.075 1.790 2.533 0.010 1 0 "[ . 1 . 2]" 1
1614 1 87 LEU QD 1 92 MET HB3 3.650 . 3.760 2.358 2.019 2.560 . 0 0 "[ . 1 . 2]" 1
1615 1 87 LEU QD 1 92 MET QG 3.640 . 3.750 3.654 3.372 3.761 0.011 1 0 "[ . 1 . 2]" 1
1616 1 87 LEU QD 1 95 ALA MB 3.930 . 4.050 2.591 2.149 3.235 . 0 0 "[ . 1 . 2]" 1
1617 1 88 SER H 1 88 SER QB 3.210 . 3.310 2.506 2.234 2.718 . 0 0 "[ . 1 . 2]" 1
1618 1 88 SER H 1 89 LYS H 4.770 . 4.910 4.632 4.585 4.664 . 0 0 "[ . 1 . 2]" 1
1619 1 88 SER H 1 90 GLN H 5.450 . 5.610 5.242 4.804 5.550 . 0 0 "[ . 1 . 2]" 1
1620 1 88 SER H 1 91 GLU H 4.730 . 4.870 4.245 3.793 4.688 . 0 0 "[ . 1 . 2]" 1
1621 1 88 SER H 1 91 GLU QG 4.490 . 4.620 3.753 3.037 4.421 . 0 0 "[ . 1 . 2]" 1
1622 1 88 SER H 1 92 MET H 4.870 . 5.020 4.705 4.380 5.026 0.006 12 0 "[ . 1 . 2]" 1
1623 1 88 SER HA 1 88 SER QB 2.550 . 2.630 2.316 2.271 2.365 . 0 0 "[ . 1 . 2]" 1
1624 1 88 SER HA 1 89 LYS H 2.820 . 2.900 2.250 2.178 2.367 . 0 0 "[ . 1 . 2]" 1
1625 1 88 SER HA 1 89 LYS HA 5.060 . 5.210 4.331 4.247 4.361 . 0 0 "[ . 1 . 2]" 1
1626 1 88 SER HA 1 89 LYS QB 4.680 . 4.820 4.525 4.424 4.629 . 0 0 "[ . 1 . 2]" 1
1627 1 88 SER HA 1 89 LYS QG 5.340 . 5.500 3.913 3.727 4.148 . 0 0 "[ . 1 . 2]" 1
1628 1 88 SER HA 1 90 GLN H 4.020 . 4.140 3.861 3.669 4.155 0.015 19 0 "[ . 1 . 2]" 1
1629 1 88 SER HA 1 91 GLU H 4.720 . 4.860 4.393 4.194 4.651 . 0 0 "[ . 1 . 2]" 1
1630 1 88 SER HA 1 91 GLU QG 5.180 . 5.340 4.852 4.456 5.333 . 0 0 "[ . 1 . 2]" 1
1631 1 88 SER HA 1 92 MET H 5.250 . 5.410 4.978 4.844 5.118 . 0 0 "[ . 1 . 2]" 1
1632 1 88 SER HB2 1 90 GLN HB3 5.210 . 5.370 3.466 2.375 4.786 . 0 0 "[ . 1 . 2]" 1
1633 1 88 SER QB 1 89 LYS H 3.470 . 3.570 3.110 2.537 3.624 0.054 14 0 "[ . 1 . 2]" 1
1634 1 88 SER QB 1 89 LYS HA 5.020 . 5.170 4.687 4.513 5.011 . 0 0 "[ . 1 . 2]" 1
1635 1 88 SER QB 1 89 LYS QG 5.170 . 5.330 3.985 3.486 4.620 . 0 0 "[ . 1 . 2]" 1
1636 1 88 SER QB 1 90 GLN HB3 4.390 . 4.520 2.902 2.296 3.914 . 0 0 "[ . 1 . 2]" 1
1637 1 88 SER QB 1 91 GLU H 3.830 . 3.940 2.380 2.136 2.756 . 0 0 "[ . 1 . 2]" 1
1638 1 88 SER QB 1 91 GLU QG 4.610 . 4.750 2.065 1.789 2.584 0.011 6 0 "[ . 1 . 2]" 1
1639 1 89 LYS H 1 89 LYS HG2 3.740 . 3.850 2.057 1.931 2.420 . 0 0 "[ . 1 . 2]" 1
1640 1 89 LYS H 1 89 LYS QB 3.010 . 3.100 2.630 2.545 2.723 . 0 0 "[ . 1 . 2]" 1
1641 1 89 LYS H 1 89 LYS QG 3.160 . 3.250 2.021 1.911 2.336 . 0 0 "[ . 1 . 2]" 1
1642 1 89 LYS H 1 90 GLN H 3.740 . 3.850 2.605 2.552 2.703 . 0 0 "[ . 1 . 2]" 1
1643 1 89 LYS H 1 90 GLN HB3 5.380 . 5.540 4.938 4.608 5.611 0.071 19 0 "[ . 1 . 2]" 1
1644 1 89 LYS H 1 91 GLU H 4.610 . 4.750 4.201 3.992 4.484 . 0 0 "[ . 1 . 2]" 1
1645 1 89 LYS H 1 92 MET H 4.870 . 5.020 4.634 4.522 4.706 . 0 0 "[ . 1 . 2]" 1
1646 1 89 LYS HA 1 89 LYS QB 2.580 . 2.660 2.172 2.163 2.182 . 0 0 "[ . 1 . 2]" 1
1647 1 89 LYS HA 1 89 LYS QD 4.450 . 4.580 4.249 4.215 4.283 . 0 0 "[ . 1 . 2]" 1
1648 1 89 LYS HA 1 89 LYS QE 5.430 . 5.590 5.609 5.415 5.690 0.100 2 0 "[ . 1 . 2]" 1
1649 1 89 LYS HA 1 89 LYS QG 3.420 . 3.520 3.341 3.321 3.371 . 0 0 "[ . 1 . 2]" 1
1650 1 89 LYS HA 1 90 GLN H 3.480 . 3.580 3.439 3.372 3.487 . 0 0 "[ . 1 . 2]" 1
1651 1 89 LYS HA 1 91 GLU H 4.500 . 4.640 4.139 3.789 4.512 . 0 0 "[ . 1 . 2]" 1
1652 1 89 LYS HA 1 92 MET H 3.650 . 3.760 3.193 2.935 3.401 . 0 0 "[ . 1 . 2]" 1
1653 1 89 LYS HA 1 92 MET HA 5.500 . 5.660 5.141 4.785 5.436 . 0 0 "[ . 1 . 2]" 1
1654 1 89 LYS HA 1 92 MET HB3 3.970 . 4.090 3.236 2.691 3.648 . 0 0 "[ . 1 . 2]" 1
1655 1 89 LYS HB3 1 90 GLN H 4.880 . 5.030 4.165 4.008 4.340 . 0 0 "[ . 1 . 2]" 1
1656 1 89 LYS QB 1 89 LYS QE 4.320 . 4.450 3.572 3.250 3.639 . 0 0 "[ . 1 . 2]" 1
1657 1 89 LYS QB 1 90 GLN H 4.190 . 4.320 3.573 3.450 3.695 . 0 0 "[ . 1 . 2]" 1
1658 1 89 LYS QD 1 89 LYS QG 2.370 . 2.440 2.087 2.052 2.096 . 0 0 "[ . 1 . 2]" 1
1659 1 89 LYS QE 1 89 LYS QG 3.050 . 3.140 2.294 2.118 2.379 . 0 0 "[ . 1 . 2]" 1
1660 1 89 LYS QG 1 90 GLN H 3.910 . 4.030 2.439 2.068 2.733 . 0 0 "[ . 1 . 2]" 1
1661 1 90 GLN H 1 90 GLN HB3 3.000 . 3.090 2.612 2.409 3.179 0.089 19 0 "[ . 1 . 2]" 1
1662 1 90 GLN H 1 90 GLN QG 3.960 . 4.080 3.932 3.468 4.034 . 0 0 "[ . 1 . 2]" 1
1663 1 90 GLN H 1 91 GLU H 3.260 . 3.360 2.593 2.398 2.727 . 0 0 "[ . 1 . 2]" 1
1664 1 90 GLN H 1 91 GLU QG 4.260 . 4.390 4.121 3.840 4.437 0.047 12 0 "[ . 1 . 2]" 1
1665 1 90 GLN H 1 92 MET H 4.280 . 4.410 3.982 3.740 4.155 . 0 0 "[ . 1 . 2]" 1
1666 1 90 GLN H 1 93 ALA H 5.190 . 5.350 4.852 4.666 5.029 . 0 0 "[ . 1 . 2]" 1
1667 1 90 GLN HA 1 90 GLN QG 3.120 . 3.210 2.525 2.321 2.970 . 0 0 "[ . 1 . 2]" 1
1668 1 90 GLN HA 1 93 ALA MB 3.620 . 3.730 3.269 2.816 3.589 . 0 0 "[ . 1 . 2]" 1
1669 1 90 GLN HB3 1 90 GLN QG 2.680 . 2.760 2.336 2.158 2.476 . 0 0 "[ . 1 . 2]" 1
1670 1 90 GLN HB3 1 91 GLU QG 3.200 . 3.300 2.825 2.532 3.302 0.002 19 0 "[ . 1 . 2]" 1
1671 1 90 GLN HB3 1 93 ALA MB 5.500 . 5.660 5.404 4.878 5.702 0.042 8 0 "[ . 1 . 2]" 1
1672 1 90 GLN QG 1 91 GLU H 4.730 . 4.870 3.902 3.416 4.569 . 0 0 "[ . 1 . 2]" 1
1673 1 90 GLN QG 1 93 ALA MB 4.670 . 4.810 4.422 3.951 4.768 . 0 0 "[ . 1 . 2]" 1
1674 1 91 GLU H 1 91 GLU HB2 3.720 . 3.830 2.497 2.365 2.590 . 0 0 "[ . 1 . 2]" 1
1675 1 91 GLU H 1 91 GLU QG 2.610 . 2.690 2.263 2.012 2.629 . 0 0 "[ . 1 . 2]" 1
1676 1 91 GLU H 1 92 MET H 2.730 . 2.810 2.412 2.201 2.604 . 0 0 "[ . 1 . 2]" 1
1677 1 91 GLU H 1 92 MET HA 5.120 . 5.270 5.046 4.876 5.224 . 0 0 "[ . 1 . 2]" 1
1678 1 91 GLU H 1 92 MET QG 4.780 . 4.920 4.110 3.850 4.415 . 0 0 "[ . 1 . 2]" 1
1679 1 91 GLU H 1 93 ALA H 4.130 . 4.250 3.848 3.675 4.112 . 0 0 "[ . 1 . 2]" 1
1680 1 91 GLU HA 1 91 GLU QG 2.740 . 2.820 2.514 2.368 2.851 0.031 6 0 "[ . 1 . 2]" 1
1681 1 91 GLU HA 1 93 ALA H 3.770 . 3.880 3.910 3.835 3.960 0.080 19 0 "[ . 1 . 2]" 1
1682 1 91 GLU HA 1 94 SER H 3.840 . 3.960 3.363 3.150 3.560 . 0 0 "[ . 1 . 2]" 1
1683 1 91 GLU HA 1 94 SER HA 5.500 . 5.660 5.578 5.375 5.731 0.071 4 0 "[ . 1 . 2]" 1
1684 1 91 GLU HB2 1 94 SER QB 5.050 . 5.200 5.406 5.232 5.583 0.383 10 0 "[ . 1 . 2]" 1
1685 1 91 GLU QG 1 94 SER H 5.500 . 5.660 5.452 5.205 5.641 . 0 0 "[ . 1 . 2]" 1
1686 1 91 GLU QG 1 94 SER QB 4.750 . 4.890 4.796 4.489 4.993 0.103 12 0 "[ . 1 . 2]" 1
1687 1 92 MET H 1 92 MET HA 2.940 . 3.030 2.831 2.813 2.856 . 0 0 "[ . 1 . 2]" 1
1688 1 92 MET H 1 92 MET HB3 2.920 . 3.010 2.391 2.292 2.469 . 0 0 "[ . 1 . 2]" 1
1689 1 92 MET H 1 92 MET QG 2.930 . 3.020 2.463 2.298 2.710 . 0 0 "[ . 1 . 2]" 1
1690 1 92 MET H 1 93 ALA H 2.830 . 2.910 2.571 2.502 2.633 . 0 0 "[ . 1 . 2]" 1
1691 1 92 MET H 1 94 SER H 4.790 . 4.930 4.134 3.912 4.370 . 0 0 "[ . 1 . 2]" 1
1692 1 92 MET HA 1 95 ALA H 4.370 . 4.500 3.130 2.693 3.533 . 0 0 "[ . 1 . 2]" 1
1693 1 92 MET HA 1 95 ALA MB 3.130 . 3.220 2.355 1.881 3.248 0.028 10 0 "[ . 1 . 2]" 1
1694 1 92 MET HA 1 96 SER H 5.500 . 5.660 3.488 2.398 4.315 . 0 0 "[ . 1 . 2]" 1
1695 1 92 MET HB3 1 93 ALA H 4.410 . 4.540 3.996 3.833 4.107 . 0 0 "[ . 1 . 2]" 1
1696 1 92 MET HG2 1 94 SER H 5.500 . 5.660 5.182 4.870 5.371 . 0 0 "[ . 1 . 2]" 1
1697 1 92 MET QG 1 93 ALA H 3.150 . 3.240 2.591 2.476 2.773 . 0 0 "[ . 1 . 2]" 1
1698 1 93 ALA H 1 93 ALA MB 2.400 . 2.470 2.252 2.226 2.285 . 0 0 "[ . 1 . 2]" 1
1699 1 93 ALA H 1 94 SER HA 5.410 . 5.570 5.125 4.967 5.214 . 0 0 "[ . 1 . 2]" 1
1700 1 93 ALA H 1 95 ALA H 4.570 . 4.710 3.874 3.678 4.198 . 0 0 "[ . 1 . 2]" 1
1701 1 93 ALA MB 1 94 SER H 2.980 . 3.070 2.696 2.374 3.102 0.032 10 0 "[ . 1 . 2]" 1
1702 1 93 ALA MB 1 94 SER HA 4.000 . 4.120 3.932 3.803 4.058 . 0 0 "[ . 1 . 2]" 1
1703 1 93 ALA MB 1 94 SER QB 4.210 . 4.340 4.204 3.666 4.387 0.047 7 0 "[ . 1 . 2]" 1
1704 1 94 SER H 1 95 ALA H 4.310 . 4.440 2.376 2.135 2.658 . 0 0 "[ . 1 . 2]" 1
1705 1 94 SER H 1 96 SER H 5.120 . 5.270 3.952 3.347 4.270 . 0 0 "[ . 1 . 2]" 1
1706 1 94 SER HA 1 94 SER QB 2.580 . 2.660 2.338 2.293 2.391 . 0 0 "[ . 1 . 2]" 1
1707 1 94 SER QB 1 95 ALA HA 4.070 . 4.190 3.984 3.741 4.269 0.079 19 0 "[ . 1 . 2]" 1
1708 1 94 SER QB 1 95 ALA MB 4.900 . 5.050 3.739 3.411 3.938 . 0 0 "[ . 1 . 2]" 1
1709 1 94 SER QB 1 96 SER H 5.260 . 5.420 4.799 4.422 5.406 . 0 0 "[ . 1 . 2]" 1
1710 1 95 ALA H 1 95 ALA MB 2.980 . 3.070 2.273 2.211 2.546 . 0 0 "[ . 1 . 2]" 1
1711 1 95 ALA H 1 96 SER QB 4.420 . 4.550 4.478 4.097 4.634 0.084 3 0 "[ . 1 . 2]" 1
1712 1 95 ALA MB 1 96 SER H 4.020 . 4.140 2.560 2.157 3.178 . 0 0 "[ . 1 . 2]" 1
1713 1 95 ALA MB 1 96 SER HA 3.840 . 3.960 3.879 3.674 4.019 0.059 8 0 "[ . 1 . 2]" 1
1714 1 95 ALA MB 1 96 SER QB 3.850 . 3.970 3.843 3.324 4.131 0.161 4 0 "[ . 1 . 2]" 1
1715 1 96 SER HA 1 96 SER QB 2.550 . 2.630 2.372 2.317 2.435 . 0 0 "[ . 1 . 2]" 1
1716 1 101 GLY QA 1 102 ARG H 2.680 . 2.760 2.428 2.109 2.855 0.095 10 0 "[ . 1 . 2]" 1
1717 2 1 U H5' 2 1 U H6 4.450 . 4.580 3.990 2.992 4.639 0.059 20 0 "[ . 1 . 2]" 1
1718 2 1 U H5'' 2 1 U H6 4.450 . 4.580 3.184 1.917 4.399 . 0 0 "[ . 1 . 2]" 1
1719 2 1 U H1' 2 1 U H5' 5.170 . 5.330 4.843 4.655 5.071 . 0 0 "[ . 1 . 2]" 1
1720 2 1 U H1' 2 1 U H5'' 5.170 . 5.330 4.491 3.956 5.048 . 0 0 "[ . 1 . 2]" 1
1721 2 1 U H1' 2 1 U H4' 3.930 . 4.050 3.440 3.086 3.991 . 0 0 "[ . 1 . 2]" 1
1722 2 1 U H3' 2 1 U H5' 3.720 . 3.830 2.916 2.130 3.692 . 0 0 "[ . 1 . 2]" 1
1723 2 1 U H3' 2 1 U H5'' 3.720 . 3.830 2.693 2.246 3.481 . 0 0 "[ . 1 . 2]" 1
1724 2 1 U H2' 2 1 U H5' 4.170 . 4.300 3.843 2.744 4.354 0.054 17 0 "[ . 1 . 2]" 1
1725 2 1 U H2' 2 1 U H5'' 4.170 . 4.300 3.104 2.477 3.798 . 0 0 "[ . 1 . 2]" 1
1726 2 1 U H2' 2 1 U H3' 2.840 . 2.930 2.402 2.336 2.451 . 0 0 "[ . 1 . 2]" 1
1727 2 1 U H3' 2 1 U H6 4.740 . 4.880 4.164 3.597 4.605 . 0 0 "[ . 1 . 2]" 1
1728 2 1 U H2' 2 1 U H6 2.930 . 3.020 2.350 1.646 3.044 0.154 6 0 "[ . 1 . 2]" 1
1729 2 1 U H3' 2 1 U Q5' 3.200 . 3.300 2.289 2.098 2.414 . 0 0 "[ . 1 . 2]" 1
1730 2 1 U Q5' 2 1 U H6 3.800 . 3.910 2.954 1.910 3.688 . 0 0 "[ . 1 . 2]" 1
1731 2 1 U H4' 2 2 C H5 5.500 . 5.660 5.410 4.405 5.761 0.101 1 0 "[ . 1 . 2]" 1
1732 2 1 U H5' 2 2 C H3' 5.500 . 5.660 5.085 4.112 5.725 0.065 1 0 "[ . 1 . 2]" 1
1733 2 1 U H5'' 2 2 C H3' 5.500 . 5.660 4.776 2.568 5.764 0.104 14 0 "[ . 1 . 2]" 1
1734 2 1 U H4' 2 2 C H6 4.770 . 4.910 3.891 2.584 4.851 . 0 0 "[ . 1 . 2]" 1
1735 2 1 U H3' 2 2 C H6 4.870 . 5.020 4.778 4.255 5.096 0.076 14 0 "[ . 1 . 2]" 1
1736 2 2 C H1' 2 2 C H4' 3.820 . 3.930 3.524 3.000 3.897 . 0 0 "[ . 1 . 2]" 1
1737 2 2 C H2' 2 2 C H3' 2.970 . 3.060 2.356 2.317 2.417 . 0 0 "[ . 1 . 2]" 1
1738 2 2 C H4' 2 2 C H6 5.230 . 5.390 3.976 3.542 4.540 . 0 0 "[ . 1 . 2]" 1
1739 2 2 C H2' 2 2 C H6 3.640 . 3.750 3.373 2.638 3.846 0.096 17 0 "[ . 1 . 2]" 1
1740 2 2 C H3' 2 2 C H6 4.170 . 4.300 4.412 4.126 4.517 0.217 2 0 "[ . 1 . 2]" 1
1741 2 2 C Q5' 2 2 C H6 4.550 . 4.690 2.554 1.705 3.323 0.095 12 0 "[ . 1 . 2]" 1
1742 2 3 A H1' 2 3 A H2 5.310 . 5.470 4.537 4.471 4.633 . 0 0 "[ . 1 . 2]" 1
1743 2 3 A H1' 2 3 A H4' 4.100 . 4.220 3.731 3.233 3.895 . 0 0 "[ . 1 . 2]" 1
1744 2 3 A H2' 2 3 A H8 5.120 . 5.270 3.033 2.716 3.274 . 0 0 "[ . 1 . 2]" 1
1745 2 3 A H1' 2 4 G H2' 5.500 . 5.660 5.486 5.172 5.714 0.054 4 0 "[ . 1 . 2]" 1
1746 2 3 A H1' 2 4 G H5'' 5.120 . 5.270 3.361 2.435 3.922 . 0 0 "[ . 1 . 2]" 1
1747 2 3 A H1' 2 4 G H5' 5.120 . 5.270 3.341 2.813 3.896 . 0 0 "[ . 1 . 2]" 1
1748 2 3 A H1' 2 4 G Q5' 4.400 . 4.530 2.962 2.311 3.352 . 0 0 "[ . 1 . 2]" 1
1749 2 4 G H1' 2 4 G H8 2.750 . 2.830 2.518 2.507 2.536 . 0 0 "[ . 1 . 2]" 1
1750 2 4 G H1' 2 4 G H4' 3.920 . 4.040 3.335 2.976 3.514 . 0 0 "[ . 1 . 2]" 1
1751 2 4 G H4' 2 4 G H8 5.500 . 5.660 5.627 5.391 5.755 0.095 2 0 "[ . 1 . 2]" 1
1752 2 4 G H2' 2 4 G H5' 5.120 . 5.270 2.776 2.392 4.023 . 0 0 "[ . 1 . 2]" 1
1753 2 4 G H2' 2 4 G H5'' 5.120 . 5.270 4.097 3.595 4.594 . 0 0 "[ . 1 . 2]" 1
1754 2 4 G H2' 2 4 G H8 4.840 . 4.990 4.491 4.197 4.648 . 0 0 "[ . 1 . 2]" 1
1755 2 4 G H2' 2 4 G Q5' 4.350 . 4.480 2.723 2.369 3.769 . 0 0 "[ . 1 . 2]" 1
1756 2 4 G H1' 2 4 G Q5' 4.180 . 4.310 3.958 3.913 4.061 . 0 0 "[ . 1 . 2]" 1
1757 2 4 G H4' 2 5 U H5 5.500 . 5.660 5.284 4.451 5.758 0.098 1 0 "[ . 1 . 2]" 1
1758 2 4 G H3' 2 5 U H4' 5.500 . 5.660 4.418 3.194 5.460 . 0 0 "[ . 1 . 2]" 1
1759 2 4 G H3' 2 5 U H3' 5.500 . 5.660 4.069 2.999 5.557 . 0 0 "[ . 1 . 2]" 1
1760 2 4 G H4' 2 5 U Q5' 4.640 . 4.780 2.762 1.762 3.504 0.038 9 0 "[ . 1 . 2]" 1
1761 2 4 G H3' 2 5 U Q5' 5.150 . 5.300 3.041 1.761 4.351 0.039 18 0 "[ . 1 . 2]" 1
1762 2 5 U H2' 2 5 U H5 5.170 . 5.330 4.279 4.019 4.557 . 0 0 "[ . 1 . 2]" 1
1763 2 5 U H3' 2 5 U H5' 3.890 . 4.010 3.068 2.123 3.724 . 0 0 "[ . 1 . 2]" 1
1764 2 5 U H3' 2 5 U H5'' 3.890 . 4.010 3.445 2.987 3.744 . 0 0 "[ . 1 . 2]" 1
1765 2 5 U H2' 2 5 U H6 3.380 . 3.480 2.222 1.629 2.712 0.171 12 0 "[ . 1 . 2]" 1
1766 2 5 U H3' 2 5 U Q5' 3.340 . 3.440 2.749 2.099 3.064 . 0 0 "[ . 1 . 2]" 1
1767 2 5 U H1' 2 5 U Q5' 5.180 . 5.340 3.842 3.541 4.075 . 0 0 "[ . 1 . 2]" 1
1768 2 5 U Q5' 2 5 U H6 4.860 . 5.010 1.921 1.664 2.535 0.136 4 0 "[ . 1 . 2]" 1
1769 2 6 U H1' 2 6 U H2' 3.060 . 3.150 3.017 2.798 3.080 . 0 0 "[ . 1 . 2]" 1
1770 2 6 U H1' 2 6 U H4' 4.080 . 4.200 3.565 3.208 3.951 . 0 0 "[ . 1 . 2]" 1
1771 2 6 U H2' 2 6 U H6 2.860 . 2.950 2.180 1.768 2.977 0.032 19 0 "[ . 1 . 2]" 1
1772 2 6 U H4' 2 6 U H6 4.520 . 4.660 4.387 3.850 4.704 0.044 19 0 "[ . 1 . 2]" 1
1773 2 6 U H1' 2 6 U Q5' 4.800 . 4.940 4.068 3.751 4.324 . 0 0 "[ . 1 . 2]" 1
1774 2 6 U H5 2 6 U Q5' 5.340 . 5.500 4.463 3.242 5.465 . 0 0 "[ . 1 . 2]" 1
1775 2 6 U Q5' 2 6 U H6 4.150 . 4.270 2.636 1.785 3.526 0.015 13 0 "[ . 1 . 2]" 1
1776 1 18 ILE MD 2 1 U H4' 5.500 . 5.660 5.142 3.716 5.757 0.097 18 0 "[ . 1 . 2]" 1
1777 1 18 ILE MG 2 1 U H4' 5.300 . 5.460 5.367 4.324 5.702 0.242 16 0 "[ . 1 . 2]" 1
1778 1 18 ILE MG 2 1 U H5' 5.500 . 5.660 5.028 3.520 5.808 0.148 20 0 "[ . 1 . 2]" 1
1779 1 53 GLY HA2 2 1 U H1' 5.000 . 5.150 4.482 2.858 4.779 . 0 0 "[ . 1 . 2]" 1
1780 1 17 GLY HA2 2 2 C H6 4.000 . 4.120 2.888 1.890 3.600 . 0 0 "[ . 1 . 2]" 1
1781 1 17 GLY HA2 2 2 C H5 3.600 . 3.710 2.954 1.791 3.760 0.050 13 0 "[ . 1 . 2]" 1
1782 1 14 PHE HZ 2 2 C H1' 3.460 . 3.560 3.050 2.492 3.607 0.047 8 0 "[ . 1 . 2]" 1
1783 1 14 PHE HZ 2 2 C H4' 4.040 . 4.160 2.491 1.757 4.036 0.043 2 0 "[ . 1 . 2]" 1
1784 1 14 PHE QE 2 2 C H1' 4.070 . 4.190 2.732 2.020 3.605 . 0 0 "[ . 1 . 2]" 1
1785 1 54 PHE QD 2 2 C Q5' 4.630 . 4.770 3.560 2.092 4.820 0.050 5 0 "[ . 1 . 2]" 1
1786 1 16 GLY QA 2 2 C H1' 3.600 . 3.710 3.640 2.337 3.881 0.171 19 0 "[ . 1 . 2]" 1
1787 1 14 PHE HZ 2 2 C H6 6.000 . 6.180 4.963 4.300 5.627 . 0 0 "[ . 1 . 2]" 1
1788 1 54 PHE QD 2 2 C H4' 3.200 . 3.300 3.078 2.126 3.349 0.049 7 0 "[ . 1 . 2]" 1
1789 1 72 LYS QE 2 2 C H5 5.300 . 5.460 5.493 4.971 5.603 0.143 13 0 "[ . 1 . 2]" 1
1790 1 82 GLU HB2 2 2 C H5 5.000 . 5.150 3.948 3.111 4.682 . 0 0 "[ . 1 . 2]" 1
1791 1 87 LEU QB 2 3 A H2 4.630 . 4.770 4.757 4.479 4.854 0.084 14 0 "[ . 1 . 2]" 1
1792 1 92 MET ME 2 3 A H1' 4.300 . 4.430 4.092 2.972 4.436 0.006 17 0 "[ . 1 . 2]" 1
1793 1 92 MET ME 2 3 A H2' 3.510 . 3.620 2.400 1.992 2.905 . 0 0 "[ . 1 . 2]" 1
1794 1 87 LEU HG 2 3 A H2 5.190 . 5.350 4.541 4.271 4.747 . 0 0 "[ . 1 . 2]" 1
1795 1 92 MET ME 2 3 A H8 3.670 . 3.780 2.811 2.355 3.807 0.027 12 0 "[ . 1 . 2]" 1
1796 1 92 MET ME 2 3 A H2 5.500 . 5.660 4.890 3.250 5.457 . 0 0 "[ . 1 . 2]" 1
1797 1 56 PHE QE 2 3 A H2 3.960 . 4.080 2.871 2.582 3.209 . 0 0 "[ . 1 . 2]" 1
1798 1 54 PHE QE 2 3 A H4' 3.270 . 3.370 2.805 2.312 3.179 . 0 0 "[ . 1 . 2]" 1
1799 1 56 PHE QD 2 3 A H2 4.070 . 4.190 3.869 3.529 4.203 0.013 12 0 "[ . 1 . 2]" 1
1800 1 54 PHE HZ 2 3 A H4' 3.230 . 3.330 2.805 2.110 3.349 0.019 8 0 "[ . 1 . 2]" 1
1801 1 54 PHE QD 2 3 A H4' 4.940 . 5.090 3.937 3.358 4.507 . 0 0 "[ . 1 . 2]" 1
1802 1 14 PHE QE 2 3 A H8 4.400 . 4.530 3.849 3.695 4.026 . 0 0 "[ . 1 . 2]" 1
1803 1 14 PHE QE 2 3 A H4' 4.770 . 4.910 4.485 4.028 4.907 . 0 0 "[ . 1 . 2]" 1
1804 1 87 LEU QD 2 3 A H2 3.930 . 4.050 3.023 2.731 3.219 . 0 0 "[ . 1 . 2]" 1
1805 1 87 LEU QD 2 3 A H8 5.110 . 5.260 5.285 5.159 5.350 0.090 5 0 "[ . 1 . 2]" 1
1806 1 12 LYS QE 2 3 A H2 5.500 . 5.660 5.061 4.823 5.498 . 0 0 "[ . 1 . 2]" 1
1807 1 14 PHE HZ 2 3 A H8 5.000 . 5.150 3.544 3.376 3.813 . 0 0 "[ . 1 . 2]" 1
1808 1 54 PHE QE 2 3 A H2' 5.500 . 5.660 5.478 5.127 5.760 0.100 12 0 "[ . 1 . 2]" 1
1809 1 54 PHE HZ 2 3 A H2' 6.000 . 6.180 5.766 5.333 6.232 0.052 3 0 "[ . 1 . 2]" 1
1810 1 86 ALA MB 2 3 A H2 2.800 . 2.880 2.429 2.255 2.671 . 0 0 "[ . 1 . 2]" 1
1811 1 86 ALA HA 2 3 A H2 4.000 . 4.120 2.214 1.931 2.654 . 0 0 "[ . 1 . 2]" 1
1812 1 86 ALA MB 2 3 A H1' 6.000 . 6.180 5.669 5.293 6.061 . 0 0 "[ . 1 . 2]" 1
1813 1 87 LEU MD1 2 3 A H2' 6.500 . 6.700 6.702 6.290 6.813 0.113 6 0 "[ . 1 . 2]" 1
1814 1 89 LYS HD3 2 3 A H1' 6.000 . 6.180 5.725 4.849 6.205 0.025 18 0 "[ . 1 . 2]" 1
1815 1 89 LYS HD3 2 3 A H2' 5.800 . 5.970 5.781 5.104 6.033 0.063 6 0 "[ . 1 . 2]" 1
1816 1 92 MET QB 2 3 A H1' 6.000 . 6.180 6.108 5.676 6.228 0.048 6 0 "[ . 1 . 2]" 1
1817 1 92 MET QB 2 3 A H2 5.000 . 5.150 5.170 5.035 5.244 0.094 6 0 "[ . 1 . 2]" 1
1818 1 43 MET ME 2 4 G H4' 3.350 . 3.450 1.980 1.718 2.416 0.082 17 0 "[ . 1 . 2]" 1
1819 1 89 LYS QE 2 4 G H3' 3.110 . 3.200 2.041 1.776 2.480 0.024 17 0 "[ . 1 . 2]" 1
1820 1 89 LYS QE 2 4 G H2' 3.160 . 3.250 2.385 1.745 2.778 0.055 3 0 "[ . 1 . 2]" 1
1821 1 89 LYS HB3 2 4 G H3' 5.190 . 5.350 4.165 2.807 4.694 . 0 0 "[ . 1 . 2]" 1
1822 1 56 PHE QE 2 4 G H8 4.000 . 4.120 4.117 3.844 4.159 0.039 8 0 "[ . 1 . 2]" 1
1823 1 54 PHE QE 2 4 G H5' 3.830 . 3.940 3.475 2.905 3.962 0.022 17 0 "[ . 1 . 2]" 1
1824 1 54 PHE QE 2 4 G H5'' 3.830 . 3.940 2.191 1.779 2.917 0.021 13 0 "[ . 1 . 2]" 1
1825 1 54 PHE HZ 2 4 G H5' 4.030 . 4.150 4.052 3.332 4.218 0.068 10 0 "[ . 1 . 2]" 1
1826 1 54 PHE HZ 2 4 G H5'' 4.030 . 4.150 2.508 2.037 3.263 . 0 0 "[ . 1 . 2]" 1
1827 1 56 PHE QD 2 4 G H8 4.410 . 4.540 3.740 3.290 4.294 . 0 0 "[ . 1 . 2]" 1
1828 1 54 PHE HZ 2 4 G H4' 4.370 . 4.500 3.715 2.810 4.239 . 0 0 "[ . 1 . 2]" 1
1829 1 43 MET ME 2 4 G Q5' 3.830 . 3.940 3.426 3.081 3.675 . 0 0 "[ . 1 . 2]" 1
1830 1 54 PHE QE 2 4 G Q5' 3.180 . 3.280 2.158 1.764 2.718 0.036 13 0 "[ . 1 . 2]" 1
1831 1 54 PHE HZ 2 4 G Q5' 3.500 . 3.600 2.481 2.019 3.151 . 0 0 "[ . 1 . 2]" 1
1832 1 89 LYS QD 2 4 G Q5' 4.890 . 5.040 2.870 1.794 3.783 0.006 17 0 "[ . 1 . 2]" 1
1833 1 89 LYS QE 2 4 G Q5' 3.820 . 3.930 3.898 3.314 4.112 0.182 12 0 "[ . 1 . 2]" 1
1834 1 89 LYS QB 2 4 G H3' 4.480 . 4.610 3.933 2.750 4.367 . 0 0 "[ . 1 . 2]" 1
1835 1 89 LYS QG 2 4 G H3' 3.950 . 4.070 3.544 2.906 3.988 . 0 0 "[ . 1 . 2]" 1
1836 1 89 LYS QD 2 4 G H3' 3.260 . 3.360 2.065 1.737 2.462 0.063 13 0 "[ . 1 . 2]" 1
1837 1 89 LYS QB 2 4 G H2' 3.470 . 3.570 3.541 3.265 3.671 0.101 3 0 "[ . 1 . 2]" 1
1838 1 89 LYS QG 2 4 G H2' 3.130 . 3.220 2.546 1.996 2.972 . 0 0 "[ . 1 . 2]" 1
1839 1 12 LYS QE 2 4 G H1' 6.000 . 6.180 6.118 5.680 6.205 0.025 8 0 "[ . 1 . 2]" 1
1840 1 12 LYS QE 2 4 G H8 4.000 . 4.120 4.156 3.665 4.223 0.103 12 0 "[ . 1 . 2]" 1
1841 1 41 GLU HB2 2 4 G H8 6.000 . 6.180 4.339 3.118 5.446 . 0 0 "[ . 1 . 2]" 1
1842 1 43 MET ME 2 4 G H1' 2.200 . 2.270 2.188 1.792 2.348 0.078 7 0 "[ . 1 . 2]" 1
1843 1 43 MET ME 2 4 G H2' 4.000 . 4.120 4.103 3.594 4.249 0.129 17 0 "[ . 1 . 2]" 1
1844 1 43 MET ME 2 4 G H3' 4.000 . 4.120 3.761 3.522 4.181 0.061 8 0 "[ . 1 . 2]" 1
1845 1 43 MET ME 2 4 G H8 4.000 . 4.120 3.825 3.174 4.147 0.027 18 0 "[ . 1 . 2]" 1
1846 1 56 PHE QE 2 4 G H1' 6.000 . 6.180 3.743 3.368 4.401 . 0 0 "[ . 1 . 2]" 1
1847 1 86 ALA MB 2 4 G H8 6.000 . 6.180 6.097 5.823 6.256 0.076 1 0 "[ . 1 . 2]" 1
1848 1 89 LYS HB3 2 4 G H4' 6.000 . 6.180 5.832 5.328 6.196 0.016 20 0 "[ . 1 . 2]" 1
1849 1 89 LYS HD3 2 4 G H2' 3.700 . 3.810 2.821 2.219 3.584 . 0 0 "[ . 1 . 2]" 1
1850 1 89 LYS QE 2 4 G H1' 4.300 . 4.430 4.345 4.094 4.514 0.084 17 0 "[ . 1 . 2]" 1
1851 1 89 LYS QE 2 4 G H8 6.000 . 6.180 5.968 5.539 6.210 0.030 1 0 "[ . 1 . 2]" 1
1852 1 46 ARG QD 2 5 U H6 3.670 . 3.780 2.762 2.017 3.555 . 0 0 "[ . 1 . 2]" 1
1853 1 46 ARG QD 2 5 U H5 4.070 . 4.190 3.689 2.889 4.267 0.077 15 0 "[ . 1 . 2]" 1
1854 1 46 ARG QD 2 5 U H4' 5.290 . 5.450 4.647 2.734 5.532 0.082 16 0 "[ . 1 . 2]" 1
1855 1 46 ARG QD 2 5 U H2' 5.500 . 5.660 3.018 1.732 4.688 0.068 6 0 "[ . 1 . 2]" 1
1856 1 43 MET ME 2 5 U H5 4.860 . 5.010 3.507 1.868 5.032 0.022 6 0 "[ . 1 . 2]" 1
1857 1 43 MET ME 2 5 U H6 4.530 . 4.670 3.569 1.760 4.733 0.063 15 0 "[ . 1 . 2]" 1
1858 1 43 MET ME 2 5 U H5'' 4.230 . 4.360 3.798 2.363 4.427 0.067 10 0 "[ . 1 . 2]" 1
1859 1 46 ARG QB 2 5 U H5 3.650 . 3.760 3.472 2.433 3.843 0.083 11 0 "[ . 1 . 2]" 1
1860 1 46 ARG QG 2 5 U H6 4.310 . 4.440 4.071 2.177 4.521 0.081 8 0 "[ . 1 . 2]" 1
1861 1 46 ARG QB 2 5 U H6 4.380 . 4.510 3.296 2.724 4.112 . 0 0 "[ . 1 . 2]" 1
1862 1 89 LYS QE 2 5 U H4' 4.460 . 4.590 4.151 3.319 4.730 0.140 18 0 "[ . 1 . 2]" 1
1863 1 89 LYS QE 2 5 U H3' 4.690 . 4.830 3.404 2.190 4.367 . 0 0 "[ . 1 . 2]" 1
1864 1 46 ARG QD 2 5 U H1' 4.320 . 4.450 3.646 1.968 4.502 0.052 6 0 "[ . 1 . 2]" 1
1865 1 46 ARG QG 2 5 U H1' 4.570 . 4.710 3.983 2.745 4.746 0.036 19 0 "[ . 1 . 2]" 1
1866 1 46 ARG HA 2 5 U H5 5.370 . 5.530 4.408 3.590 5.380 . 0 0 "[ . 1 . 2]" 1
1867 1 46 ARG QB 2 5 U H1' 4.970 . 5.120 4.168 3.283 4.990 . 0 0 "[ . 1 . 2]" 1
1868 1 43 MET ME 2 5 U H5' 4.230 . 4.360 3.332 1.794 4.136 0.006 11 0 "[ . 1 . 2]" 1
1869 1 43 MET ME 2 5 U Q5' 3.490 . 3.590 3.084 1.765 3.643 0.053 10 0 "[ . 1 . 2]" 1
1870 1 46 ARG QG 2 5 U Q5' 5.340 . 5.500 4.515 1.790 5.630 0.130 19 0 "[ . 1 . 2]" 1
1871 1 46 ARG QD 2 5 U Q5' 4.120 . 4.240 3.316 1.730 4.216 0.070 13 0 "[ . 1 . 2]" 1
1872 1 89 LYS QE 2 5 U Q5' 4.050 . 4.170 3.770 3.122 4.292 0.122 4 0 "[ . 1 . 2]" 1
1873 1 46 ARG QG 2 5 U H5 5.500 . 5.660 4.969 3.171 5.640 . 0 0 "[ . 1 . 2]" 1
1874 1 46 ARG QG 2 5 U H3' 5.500 . 5.660 5.144 4.232 5.778 0.118 14 0 "[ . 1 . 2]" 1
1875 1 46 ARG QD 2 5 U H3' 5.000 . 5.150 4.389 3.467 5.317 0.167 15 0 "[ . 1 . 2]" 1
1876 1 54 PHE QE 2 5 U Q5' 5.500 . 5.660 5.174 4.004 5.803 0.143 13 0 "[ . 1 . 2]" 1
1877 1 89 LYS HD3 2 5 U H3' 5.500 . 5.660 4.993 2.693 5.763 0.103 17 0 "[ . 1 . 2]" 1
1878 1 89 LYS QE 2 5 U H6 6.000 . 6.180 5.571 3.910 6.286 0.106 8 0 "[ . 1 . 2]" 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 46
_Distance_constraint_stats_list.Viol_count 51
_Distance_constraint_stats_list.Viol_total 17.579
_Distance_constraint_stats_list.Viol_max 0.047
_Distance_constraint_stats_list.Viol_rms 0.0049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0172
_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 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.001 0.001 19 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 HIS 0.255 0.035 11 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TYR 0.255 0.035 11 0 "[ . 1 . 2]"
1 31 PHE 0.481 0.047 17 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.481 0.047 17 0 "[ . 1 . 2]"
1 39 VAL 0.114 0.021 10 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ALA 0.001 0.001 19 0 "[ . 1 . 2]"
1 56 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 THR 0.114 0.021 10 0 "[ . 1 . 2]"
1 59 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 VAL 0.010 0.009 12 0 "[ . 1 . 2]"
1 79 HIS 0.010 0.009 12 0 "[ . 1 . 2]"
1 81 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 0.019 0.009 10 0 "[ . 1 . 2]"
2 3 A 0.019 0.009 10 0 "[ . 1 . 2]"
2 4 G 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 31 PHE O 1 35 GLY H 1.900 . 2.500 2.524 2.500 2.547 0.047 17 0 "[ . 1 . 2]" 2
2 1 27 LEU O 1 31 PHE H 1.900 . 2.500 1.870 1.771 1.954 . 0 0 "[ . 1 . 2]" 2
3 1 41 GLU O 1 56 PHE H 1.900 . 2.500 1.824 1.630 2.082 . 0 0 "[ . 1 . 2]" 2
4 1 13 ILE H 1 57 VAL O 1.900 . 2.500 1.995 1.903 2.075 . 0 0 "[ . 1 . 2]" 2
5 1 25 HIS O 1 29 ASP H 1.900 . 2.500 2.021 1.790 2.264 . 0 0 "[ . 1 . 2]" 2
6 1 31 PHE O 1 34 TYR H 1.900 . 2.500 2.089 2.008 2.207 . 0 0 "[ . 1 . 2]" 2
7 1 39 VAL H 1 58 THR O 1.900 . 2.500 2.461 2.281 2.521 0.021 10 0 "[ . 1 . 2]" 2
8 1 26 HIS O 1 30 TYR H 1.900 . 2.500 2.493 2.376 2.535 0.035 11 0 "[ . 1 . 2]" 2
9 1 23 GLU O 1 27 LEU H 1.900 . 2.500 2.201 1.986 2.347 . 0 0 "[ . 1 . 2]" 2
10 1 28 ARG O 1 32 GLU H 1.900 . 2.500 1.919 1.768 2.126 . 0 0 "[ . 1 . 2]" 2
11 1 24 GLU O 1 28 ARG H 1.900 . 2.500 1.881 1.707 1.994 . 0 0 "[ . 1 . 2]" 2
12 1 15 VAL O 1 55 ALA H 1.900 . 2.500 2.118 1.725 2.501 0.001 19 0 "[ . 1 . 2]" 2
13 1 13 ILE O 1 57 VAL H 1.900 . 2.500 2.176 2.001 2.376 . 0 0 "[ . 1 . 2]" 2
14 1 39 VAL O 1 58 THR H 1.900 . 2.500 1.954 1.848 2.032 . 0 0 "[ . 1 . 2]" 2
15 1 76 VAL H 1 79 HIS O 1.900 . 2.500 2.144 1.909 2.509 0.009 12 0 "[ . 1 . 2]" 2
16 1 15 VAL H 1 55 ALA O 1.900 . 2.500 1.895 1.744 2.053 . 0 0 "[ . 1 . 2]" 2
17 1 41 GLU H 1 56 PHE O 1.900 . 2.500 1.901 1.754 2.087 . 0 0 "[ . 1 . 2]" 2
18 1 74 HIS O 1 81 CYS H 1.900 . 2.500 1.838 1.647 2.090 . 0 0 "[ . 1 . 2]" 2
19 1 14 PHE H 1 84 ARG O 1.900 . 2.500 1.755 1.672 1.847 . 0 0 "[ . 1 . 2]" 2
20 1 11 LYS O 1 59 PHE H 1.900 . 2.500 1.720 1.653 1.845 . 0 0 "[ . 1 . 2]" 2
21 1 14 PHE O 1 84 ARG H 1.900 . 2.500 1.984 1.792 2.240 . 0 0 "[ . 1 . 2]" 2
22 1 31 PHE O 1 35 GLY N 2.900 2.400 3.600 3.388 3.331 3.446 . 0 0 "[ . 1 . 2]" 2
23 1 27 LEU O 1 31 PHE N 2.900 2.400 3.600 2.814 2.709 2.871 . 0 0 "[ . 1 . 2]" 2
24 1 41 GLU O 1 56 PHE N 2.900 2.400 3.600 2.756 2.604 2.939 . 0 0 "[ . 1 . 2]" 2
25 1 13 ILE N 1 57 VAL O 2.900 2.400 3.600 2.942 2.855 3.018 . 0 0 "[ . 1 . 2]" 2
26 1 25 HIS O 1 29 ASP N 2.900 2.400 3.600 2.918 2.720 3.097 . 0 0 "[ . 1 . 2]" 2
27 1 31 PHE O 1 34 TYR N 2.900 2.400 3.600 2.955 2.873 3.071 . 0 0 "[ . 1 . 2]" 2
28 1 39 VAL N 1 58 THR O 2.900 2.400 3.600 3.260 3.105 3.321 . 0 0 "[ . 1 . 2]" 2
29 1 26 HIS O 1 30 TYR N 2.900 2.400 3.600 3.314 3.176 3.384 . 0 0 "[ . 1 . 2]" 2
30 1 23 GLU O 1 27 LEU N 2.900 2.400 3.600 3.168 2.968 3.304 . 0 0 "[ . 1 . 2]" 2
31 1 28 ARG O 1 32 GLU N 2.900 2.400 3.600 2.775 2.659 2.931 . 0 0 "[ . 1 . 2]" 2
32 1 24 GLU O 1 28 ARG N 2.900 2.400 3.600 2.847 2.686 2.952 . 0 0 "[ . 1 . 2]" 2
33 1 15 VAL O 1 55 ALA N 2.900 2.400 3.600 3.085 2.706 3.479 . 0 0 "[ . 1 . 2]" 2
34 1 13 ILE O 1 57 VAL N 2.900 2.400 3.600 3.097 2.940 3.313 . 0 0 "[ . 1 . 2]" 2
35 1 39 VAL O 1 58 THR N 2.900 2.400 3.600 2.843 2.762 2.895 . 0 0 "[ . 1 . 2]" 2
36 1 76 VAL N 1 79 HIS O 2.900 2.400 3.600 2.945 2.758 3.169 . 0 0 "[ . 1 . 2]" 2
37 1 15 VAL N 1 55 ALA O 2.900 2.400 3.600 2.844 2.718 3.000 . 0 0 "[ . 1 . 2]" 2
38 1 41 GLU N 1 56 PHE O 2.900 2.400 3.600 2.749 2.663 2.843 . 0 0 "[ . 1 . 2]" 2
39 1 74 HIS O 1 81 CYS N 2.900 2.400 3.600 2.790 2.631 3.052 . 0 0 "[ . 1 . 2]" 2
40 1 14 PHE N 1 84 ARG O 2.900 2.400 3.600 2.730 2.656 2.826 . 0 0 "[ . 1 . 2]" 2
41 1 11 LYS O 1 59 PHE N 2.900 2.400 3.600 2.684 2.622 2.783 . 0 0 "[ . 1 . 2]" 2
42 1 14 PHE O 1 84 ARG N 2.900 2.400 3.600 2.906 2.712 3.178 . 0 0 "[ . 1 . 2]" 2
43 1 87 LEU N 2 3 A N1 2.900 2.400 3.600 3.079 2.951 3.245 . 0 0 "[ . 1 . 2]" 2
44 1 87 LEU H 2 3 A N1 1.900 . 2.500 2.321 2.032 2.509 0.009 10 0 "[ . 1 . 2]" 2
45 1 87 LEU O 2 4 G N1 2.900 2.400 3.600 3.011 2.946 3.137 . 0 0 "[ . 1 . 2]" 2
46 1 87 LEU O 2 4 G H1 1.900 . 2.500 2.181 2.133 2.265 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 9, 2024 10:47:44 PM GMT (wattos1)