NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593134 |
2mqi   |
17368 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mqi
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 1556
_Distance_constraint_stats_list.Viol_count 2152
_Distance_constraint_stats_list.Viol_total 4561.694
_Distance_constraint_stats_list.Viol_max 5.010
_Distance_constraint_stats_list.Viol_rms 0.1247
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.1060
_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 1 TRP 151.036 5.010 11 3 "[ -. 1+ . *2]"
1 2 TYR 6.583 1.248 11 3 "[ -. 1+ . *2]"
1 3 PHE 2.165 0.179 14 0 "[ . 1 . 2]"
1 4 GLY 1.849 0.225 12 0 "[ . 1 . 2]"
1 5 LYS 1.420 0.191 12 0 "[ . 1 . 2]"
1 6 LEU 6.388 0.195 12 0 "[ . 1 . 2]"
1 7 GLY 0.459 0.078 14 0 "[ . 1 . 2]"
1 8 ARG 0.021 0.015 20 0 "[ . 1 . 2]"
1 9 LYS 1.487 0.120 18 0 "[ . 1 . 2]"
1 10 ASP 2.085 0.120 18 0 "[ . 1 . 2]"
1 11 ALA 1.964 0.085 5 0 "[ . 1 . 2]"
1 12 GLU 1.515 0.113 11 0 "[ . 1 . 2]"
1 13 ARG 2.027 0.113 11 0 "[ . 1 . 2]"
1 14 GLN 0.983 0.071 18 0 "[ . 1 . 2]"
1 15 LEU 1.812 0.107 5 0 "[ . 1 . 2]"
1 16 LEU 1.080 0.091 9 0 "[ . 1 . 2]"
1 17 SER 0.460 0.091 6 0 "[ . 1 . 2]"
1 18 PHE 0.029 0.029 6 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.379 0.074 7 0 "[ . 1 . 2]"
1 21 PRO 0.721 0.071 3 0 "[ . 1 . 2]"
1 22 ARG 1.063 0.071 3 0 "[ . 1 . 2]"
1 23 GLY 0.857 0.065 14 0 "[ . 1 . 2]"
1 24 THR 0.665 0.074 7 0 "[ . 1 . 2]"
1 25 PHE 0.067 0.067 14 0 "[ . 1 . 2]"
1 26 LEU 1.284 0.084 1 0 "[ . 1 . 2]"
1 27 ILE 80.783 4.783 11 3 "[ -. 1+ . *2]"
1 28 ARG 4.580 0.125 14 0 "[ . 1 . 2]"
1 29 GLU 3.467 0.225 12 0 "[ . 1 . 2]"
1 30 SER 0.674 0.072 14 0 "[ . 1 . 2]"
1 31 GLU 0.592 0.119 9 0 "[ . 1 . 2]"
1 32 THR 1.264 0.141 15 0 "[ . 1 . 2]"
1 33 THR 3.501 0.141 15 0 "[ . 1 . 2]"
1 34 LYS 2.325 0.125 12 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 3.164 0.125 12 0 "[ . 1 . 2]"
1 37 TYR 1.257 0.099 17 0 "[ . 1 . 2]"
1 38 SER 0.083 0.021 17 0 "[ . 1 . 2]"
1 39 LEU 0.204 0.042 3 0 "[ . 1 . 2]"
1 40 SER 1.435 0.098 11 0 "[ . 1 . 2]"
1 41 ILE 0.615 0.034 6 0 "[ . 1 . 2]"
1 42 ARG 0.159 0.141 17 0 "[ . 1 . 2]"
1 43 ASP 0.018 0.018 8 0 "[ . 1 . 2]"
1 44 TRP 2.805 0.343 17 0 "[ . 1 . 2]"
1 45 ASP 4.656 0.266 17 0 "[ . 1 . 2]"
1 46 ASP 3.179 0.152 13 0 "[ . 1 . 2]"
1 47 MET 0.775 0.212 17 0 "[ . 1 . 2]"
1 48 LYS 0.430 0.062 17 0 "[ . 1 . 2]"
1 49 GLY 3.515 0.343 17 0 "[ . 1 . 2]"
1 50 ASP 1.026 0.139 17 0 "[ . 1 . 2]"
1 51 HIS 1.082 0.084 5 0 "[ . 1 . 2]"
1 52 VAL 0.933 0.141 17 0 "[ . 1 . 2]"
1 53 LYS 0.411 0.057 8 0 "[ . 1 . 2]"
1 54 HIS 0.170 0.083 17 0 "[ . 1 . 2]"
1 55 TYR 0.684 0.064 7 0 "[ . 1 . 2]"
1 56 LYS 0.560 0.081 7 0 "[ . 1 . 2]"
1 57 ILE 0.725 0.081 7 0 "[ . 1 . 2]"
1 58 ARG 0.217 0.060 17 0 "[ . 1 . 2]"
1 59 LYS 0.810 0.116 10 0 "[ . 1 . 2]"
1 60 LEU 2.154 0.116 10 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASN 0.565 0.059 2 0 "[ . 1 . 2]"
1 63 GLY 0.054 0.024 10 0 "[ . 1 . 2]"
1 64 GLY 0.730 0.071 4 0 "[ . 1 . 2]"
1 65 TYR 2.097 0.106 19 0 "[ . 1 . 2]"
1 66 TYR 0.304 0.109 5 0 "[ . 1 . 2]"
1 67 ILE 3.392 0.162 16 0 "[ . 1 . 2]"
1 68 THR 0.612 0.067 11 0 "[ . 1 . 2]"
1 69 THR 0.963 0.107 5 0 "[ . 1 . 2]"
1 70 ARG 2.634 0.115 9 0 "[ . 1 . 2]"
1 71 ALA 1.406 0.083 15 0 "[ . 1 . 2]"
1 72 GLN 2.587 0.137 5 0 "[ . 1 . 2]"
1 73 PHE 3.407 0.137 5 0 "[ . 1 . 2]"
1 74 GLU 1.178 0.088 11 0 "[ . 1 . 2]"
1 75 THR 1.472 0.102 16 0 "[ . 1 . 2]"
1 76 LEU 16.893 5.010 11 3 "[ -. 1+ . *2]"
1 77 GLN 42.447 3.631 11 3 "[ *. 1+ . -2]"
1 78 GLN 5.532 0.132 8 0 "[ . 1 . 2]"
1 79 LEU 5.413 0.162 16 0 "[ . 1 . 2]"
1 80 VAL 14.542 3.961 11 3 "[ -. 1+ . *2]"
1 81 GLN 5.456 0.182 14 0 "[ . 1 . 2]"
1 82 HIS 0.707 0.046 14 0 "[ . 1 . 2]"
1 83 TYR 1.857 0.142 6 0 "[ . 1 . 2]"
1 84 SER 1.301 0.171 6 0 "[ . 1 . 2]"
1 85 GLU 0.366 0.096 6 0 "[ . 1 . 2]"
1 86 ARG 0.706 0.055 6 0 "[ . 1 . 2]"
1 87 ALA 0.842 0.170 6 0 "[ . 1 . 2]"
1 88 ALA 0.260 0.087 6 0 "[ . 1 . 2]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 1.156 0.086 6 0 "[ . 1 . 2]"
1 91 CYS 0.194 0.030 14 0 "[ . 1 . 2]"
1 92 CYS 0.406 0.086 6 0 "[ . 1 . 2]"
1 93 ARG 0.510 0.170 6 0 "[ . 1 . 2]"
1 94 LEU 1.268 0.171 6 0 "[ . 1 . 2]"
1 95 VAL 0.570 0.065 14 0 "[ . 1 . 2]"
1 96 VAL 0.275 0.062 13 0 "[ . 1 . 2]"
1 97 PRO 0.014 0.010 15 0 "[ . 1 . 2]"
1 98 CYS 0.020 0.010 15 0 "[ . 1 . 2]"
1 99 HIS 0.755 0.162 1 0 "[ . 1 . 2]"
1 100 LYS 0.701 0.125 15 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 55 TYR HA 1 55 TYR QD 3.115 . 4.430 2.961 2.710 3.223 . 0 0 "[ . 1 . 2]" 1
2 1 99 HIS HA 1 99 HIS HD2 3.130 . 4.460 3.777 2.472 4.476 0.016 14 0 "[ . 1 . 2]" 1
3 1 68 THR HB 1 69 THR H 3.125 . 4.450 3.860 3.374 3.996 . 0 0 "[ . 1 . 2]" 1
4 1 10 ASP HA 1 13 ARG H 3.105 . 4.410 3.856 3.498 4.211 . 0 0 "[ . 1 . 2]" 1
5 1 10 ASP HA 1 14 GLN H 3.360 . 4.920 4.622 4.018 4.972 0.052 20 0 "[ . 1 . 2]" 1
6 1 3 PHE HA 1 3 PHE QD 3.040 . 4.280 3.007 2.286 3.723 . 0 0 "[ . 1 . 2]" 1
7 1 29 GLU HA 1 37 TYR QD 2.930 . 4.060 2.740 2.360 3.407 . 0 0 "[ . 1 . 2]" 1
8 1 60 LEU H 1 64 GLY HA2 3.325 . 4.850 4.162 3.793 4.475 . 0 0 "[ . 1 . 2]" 1
9 1 34 LYS HA 1 36 ALA H 3.030 . 4.260 4.230 4.097 4.319 0.059 14 0 "[ . 1 . 2]" 1
10 1 78 GLN HA 1 81 GLN HE21 2.720 . 3.640 2.311 1.811 2.776 . 0 0 "[ . 1 . 2]" 1
11 1 44 TRP HE1 1 49 GLY HA3 3.100 . 4.400 3.198 2.730 4.743 0.343 17 0 "[ . 1 . 2]" 1
12 1 78 GLN HA 1 78 GLN HE22 3.215 . 4.630 3.214 3.035 3.386 . 0 0 "[ . 1 . 2]" 1
13 1 73 PHE QD 1 78 GLN HA 3.355 . 4.910 4.065 3.893 4.129 . 0 0 "[ . 1 . 2]" 1
14 1 9 LYS HA 1 13 ARG H 3.070 . 4.340 3.772 3.347 4.251 . 0 0 "[ . 1 . 2]" 1
15 1 78 GLN HA 1 78 GLN HE21 2.955 . 4.110 2.432 2.253 2.531 . 0 0 "[ . 1 . 2]" 1
16 1 44 TRP HE1 1 46 ASP HA 3.340 . 4.880 4.495 4.118 4.933 0.053 17 0 "[ . 1 . 2]" 1
17 1 44 TRP HZ2 1 46 ASP HA 2.830 . 3.860 3.014 2.797 3.547 . 0 0 "[ . 1 . 2]" 1
18 1 15 LEU HA 1 20 ASN HD21 3.520 . 5.240 3.772 2.469 5.298 0.058 18 0 "[ . 1 . 2]" 1
19 1 33 THR HB 1 34 LYS H 3.105 . 4.410 3.791 3.622 4.013 . 0 0 "[ . 1 . 2]" 1
20 1 12 GLU HA 1 15 LEU H 2.990 . 4.180 3.352 3.083 3.629 . 0 0 "[ . 1 . 2]" 1
21 1 11 ALA HA 1 14 GLN H 3.065 . 4.330 3.728 3.431 4.054 . 0 0 "[ . 1 . 2]" 1
22 1 99 HIS HB3 1 100 LYS H 3.155 . 4.510 4.169 3.942 4.399 . 0 0 "[ . 1 . 2]" 1
23 1 99 HIS HB2 1 100 LYS H 3.155 . 4.510 4.171 2.943 4.516 0.006 5 0 "[ . 1 . 2]" 1
24 1 92 CYS HB3 1 93 ARG H 3.020 . 4.240 3.603 2.658 3.867 . 0 0 "[ . 1 . 2]" 1
25 1 51 HIS HB2 1 52 VAL H 2.935 . 4.070 3.839 1.991 4.154 0.084 5 0 "[ . 1 . 2]" 1
26 1 86 ARG H 1 86 ARG HD2 3.650 . 5.500 4.740 4.129 5.171 . 0 0 "[ . 1 . 2]" 1
27 1 86 ARG H 1 86 ARG HD3 3.650 . 5.500 4.910 4.616 5.264 . 0 0 "[ . 1 . 2]" 1
28 1 80 VAL HA 1 83 TYR H 3.075 . 4.350 3.146 2.891 3.321 . 0 0 "[ . 1 . 2]" 1
29 1 44 TRP HB3 1 44 TRP HZ3 3.450 . 5.100 4.910 4.672 5.021 . 0 0 "[ . 1 . 2]" 1
30 1 44 TRP HH2 1 46 ASP HB3 3.330 . 4.860 4.094 2.871 4.907 0.047 20 0 "[ . 1 . 2]" 1
31 1 73 PHE QE 1 82 HIS HB2 3.150 . 4.500 2.521 2.040 3.226 . 0 0 "[ . 1 . 2]" 1
32 1 65 TYR HB2 1 66 TYR H 2.975 . 4.150 3.853 3.689 4.038 . 0 0 "[ . 1 . 2]" 1
33 1 75 THR H 1 78 GLN HG3 2.945 . 4.090 2.841 2.559 3.072 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLY H 1 10 ASP HB2 2.785 . 3.770 2.740 2.121 3.554 . 0 0 "[ . 1 . 2]" 1
35 1 29 GLU HG2 1 37 TYR QE 3.465 . 5.130 2.867 2.096 4.900 . 0 0 "[ . 1 . 2]" 1
36 1 29 GLU HG3 1 37 TYR QE 3.465 . 5.130 3.495 2.770 4.881 . 0 0 "[ . 1 . 2]" 1
37 1 50 ASP HB3 1 51 HIS H 3.130 . 4.460 4.321 3.896 4.470 0.010 20 0 "[ . 1 . 2]" 1
38 1 81 GLN HG2 1 82 HIS H 2.970 . 4.140 2.551 2.266 2.874 . 0 0 "[ . 1 . 2]" 1
39 1 47 MET H 1 47 MET HG3 3.020 . 4.240 3.321 2.174 4.260 0.020 3 0 "[ . 1 . 2]" 1
40 1 81 GLN H 1 81 GLN HG2 2.840 . 3.880 3.246 2.595 3.750 . 0 0 "[ . 1 . 2]" 1
41 1 81 GLN HE22 1 81 GLN HG2 2.855 . 3.910 3.619 3.415 3.818 . 0 0 "[ . 1 . 2]" 1
42 1 73 PHE QD 1 78 GLN HB3 2.975 . 4.150 1.997 1.942 2.103 . 0 0 "[ . 1 . 2]" 1
43 1 77 GLN QB 1 78 GLN HE21 3.205 . 4.610 2.904 2.669 2.998 . 0 0 "[ . 1 . 2]" 1
44 1 74 GLU HB3 1 75 THR H 2.725 . 3.650 2.490 2.224 2.726 . 0 0 "[ . 1 . 2]" 1
45 1 14 GLN H 1 14 GLN HG2 2.925 . 4.050 2.829 2.256 3.945 . 0 0 "[ . 1 . 2]" 1
46 1 77 GLN QB 1 77 GLN HE21 2.890 . 3.980 3.511 3.247 3.618 . 0 0 "[ . 1 . 2]" 1
47 1 1 TRP HZ2 1 77 GLN QB 3.650 . 4.720 4.123 2.774 5.869 1.149 11 3 "[ *. 1+ . -2]" 1
48 1 75 THR H 1 77 GLN QB 3.650 . 5.500 5.105 4.898 5.299 . 0 0 "[ . 1 . 2]" 1
49 1 81 GLN HB2 1 82 HIS H 3.245 . 4.690 4.154 4.004 4.304 . 0 0 "[ . 1 . 2]" 1
50 1 1 TRP HH2 1 27 ILE HB 3.245 . 4.690 4.990 3.566 9.473 4.783 11 3 "[ -. 1+ . *2]" 1
51 1 81 GLN HB3 1 81 GLN HE21 2.900 . 4.000 2.280 1.785 2.871 0.015 17 0 "[ . 1 . 2]" 1
52 1 39 LEU HB2 1 55 TYR QD 3.505 . 5.210 4.785 4.142 5.067 . 0 0 "[ . 1 . 2]" 1
53 1 14 GLN HB3 1 15 LEU H 3.080 . 4.360 3.752 3.524 3.901 . 0 0 "[ . 1 . 2]" 1
54 1 47 MET HB2 1 48 LYS H 3.230 . 4.660 2.953 2.121 3.899 . 0 0 "[ . 1 . 2]" 1
55 1 47 MET HB3 1 48 LYS H 3.230 . 4.660 3.491 2.397 4.091 . 0 0 "[ . 1 . 2]" 1
56 1 6 LEU H 1 29 GLU HB2 3.510 . 5.220 3.976 3.620 5.176 . 0 0 "[ . 1 . 2]" 1
57 1 29 GLU HB2 1 30 SER H 3.115 . 4.430 4.079 3.895 4.356 . 0 0 "[ . 1 . 2]" 1
58 1 97 PRO QB 1 98 CYS H 2.840 . 3.880 2.941 2.592 3.401 . 0 0 "[ . 1 . 2]" 1
59 1 70 ARG HB2 1 71 ALA H 2.930 . 4.060 3.884 2.650 4.142 0.082 7 0 "[ . 1 . 2]" 1
60 1 72 GLN HB2 1 72 GLN HE21 2.965 . 4.130 3.338 2.975 3.621 . 0 0 "[ . 1 . 2]" 1
61 1 27 ILE HG12 1 40 SER H 3.095 . 4.390 3.813 3.470 4.469 0.079 12 0 "[ . 1 . 2]" 1
62 1 6 LEU H 1 28 ARG HG3 2.900 . 4.000 4.014 3.653 4.099 0.099 10 0 "[ . 1 . 2]" 1
63 1 60 LEU HG 1 66 TYR QD 2.860 . 3.920 2.245 2.056 2.492 . 0 0 "[ . 1 . 2]" 1
64 1 60 LEU HG 1 64 GLY H 3.040 . 4.280 3.777 3.599 3.993 . 0 0 "[ . 1 . 2]" 1
65 1 60 LEU HG 1 66 TYR QE 2.850 . 3.900 2.824 2.481 3.407 . 0 0 "[ . 1 . 2]" 1
66 1 13 ARG HG3 1 14 GLN H 2.900 . 4.000 2.729 2.394 3.070 . 0 0 "[ . 1 . 2]" 1
67 1 39 LEU HG 1 41 ILE H 3.650 . 5.500 4.241 3.991 4.417 . 0 0 "[ . 1 . 2]" 1
68 1 60 LEU HB2 1 66 TYR QD 3.310 . 4.820 4.419 4.170 4.716 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU HB2 1 11 ALA H 3.105 . 4.410 4.138 3.923 4.422 0.012 10 0 "[ . 1 . 2]" 1
70 1 6 LEU HB2 1 10 ASP H 3.140 . 4.480 4.500 4.262 4.591 0.111 10 0 "[ . 1 . 2]" 1
71 1 39 LEU HG 1 55 TYR QD 3.035 . 4.270 3.295 2.793 3.456 . 0 0 "[ . 1 . 2]" 1
72 1 26 LEU HG 1 27 ILE H 3.135 . 4.470 4.455 3.989 4.554 0.084 1 0 "[ . 1 . 2]" 1
73 1 60 LEU HB3 1 61 ASP H 3.165 . 4.530 3.253 3.002 3.579 . 0 0 "[ . 1 . 2]" 1
74 1 36 ALA MB 1 57 ILE H 3.055 . 4.310 3.715 3.167 4.201 . 0 0 "[ . 1 . 2]" 1
75 1 80 VAL H 1 80 VAL HB 2.790 . 3.780 3.701 3.662 3.742 . 0 0 "[ . 1 . 2]" 1
76 1 58 ARG H 1 58 ARG HG2 3.410 . 5.020 3.869 1.922 4.879 . 0 0 "[ . 1 . 2]" 1
77 1 41 ILE HB 1 55 TYR QD 3.500 . 5.200 4.089 3.290 5.052 . 0 0 "[ . 1 . 2]" 1
78 1 59 LYS HD2 1 65 TYR QE 3.240 . 4.680 3.368 2.180 4.198 . 0 0 "[ . 1 . 2]" 1
79 1 59 LYS HD3 1 65 TYR QE 3.240 . 4.680 3.657 2.362 4.685 0.005 20 0 "[ . 1 . 2]" 1
80 1 79 LEU HG 1 83 TYR QE 3.200 . 4.600 2.542 1.926 4.633 0.033 10 0 "[ . 1 . 2]" 1
81 1 56 LYS H 1 56 LYS HG2 3.125 . 4.450 3.171 1.909 4.361 . 0 0 "[ . 1 . 2]" 1
82 1 56 LYS H 1 56 LYS HG3 3.125 . 4.450 3.263 2.050 4.467 0.017 3 0 "[ . 1 . 2]" 1
83 1 86 ARG HG2 1 87 ALA H 3.650 . 5.500 4.697 4.201 5.107 . 0 0 "[ . 1 . 2]" 1
84 1 3 PHE QE 1 26 LEU HB2 3.055 . 4.310 3.178 2.046 4.063 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLY H 1 11 ALA MB 3.525 . 5.250 4.868 4.579 5.292 0.042 11 0 "[ . 1 . 2]" 1
86 1 11 ALA MB 1 28 ARG H 3.650 . 5.500 5.014 4.770 5.508 0.008 9 0 "[ . 1 . 2]" 1
87 1 26 LEU HB3 1 98 CYS H 3.305 . 4.810 3.165 2.747 3.948 . 0 0 "[ . 1 . 2]" 1
88 1 26 LEU HB2 1 98 CYS H 3.500 . 5.200 4.340 3.693 5.210 0.010 18 0 "[ . 1 . 2]" 1
89 1 83 TYR QE 1 90 LEU HG 2.975 . 4.150 3.241 2.501 3.960 . 0 0 "[ . 1 . 2]" 1
90 1 88 ALA MB 1 89 GLY H 2.930 . 4.060 3.607 3.494 3.670 . 0 0 "[ . 1 . 2]" 1
91 1 5 LYS HG2 1 6 LEU H 3.170 . 4.540 3.950 3.429 4.644 0.104 20 0 "[ . 1 . 2]" 1
92 1 75 THR H 1 75 THR MG 2.855 . 3.910 2.452 2.285 2.748 . 0 0 "[ . 1 . 2]" 1
93 1 75 THR MG 1 77 GLN H 3.040 . 4.280 2.402 1.993 2.687 . 0 0 "[ . 1 . 2]" 1
94 1 87 ALA MB 1 94 LEU H 3.650 . 5.500 5.213 4.938 5.548 0.048 6 0 "[ . 1 . 2]" 1
95 1 32 THR H 1 32 THR MG 2.665 . 3.530 2.549 2.199 3.000 . 0 0 "[ . 1 . 2]" 1
96 1 87 ALA MB 1 93 ARG H 2.875 . 3.950 3.126 2.740 3.522 . 0 0 "[ . 1 . 2]" 1
97 1 27 ILE H 1 27 ILE MG 3.155 . 4.510 3.815 3.683 3.898 . 0 0 "[ . 1 . 2]" 1
98 1 24 THR H 1 24 THR MG 2.875 . 3.950 3.743 3.615 3.805 . 0 0 "[ . 1 . 2]" 1
99 1 95 VAL MG1 1 96 VAL H 2.970 . 4.140 2.846 2.152 3.323 . 0 0 "[ . 1 . 2]" 1
100 1 96 VAL H 1 96 VAL MG1 3.135 . 4.470 2.972 2.156 3.362 . 0 0 "[ . 1 . 2]" 1
101 1 8 ARG H 1 8 ARG HG2 3.185 . 4.570 2.456 1.857 4.358 . 0 0 "[ . 1 . 2]" 1
102 1 84 SER H 1 94 LEU HG 3.160 . 4.520 4.196 3.967 4.518 . 0 0 "[ . 1 . 2]" 1
103 1 55 TYR QD 1 67 ILE MG 2.720 . 3.640 3.273 3.011 3.654 0.014 16 0 "[ . 1 . 2]" 1
104 1 15 LEU H 1 15 LEU HB2 2.810 . 3.820 2.435 2.334 2.515 . 0 0 "[ . 1 . 2]" 1
105 1 37 TYR QD 1 57 ILE MG 2.685 . 3.570 3.338 2.688 3.598 0.028 4 0 "[ . 1 . 2]" 1
106 1 79 LEU H 1 79 LEU MD1 3.115 . 4.430 4.213 4.091 4.282 . 0 0 "[ . 1 . 2]" 1
107 1 79 LEU MD1 1 83 TYR QE 3.050 . 4.300 2.582 1.889 3.356 . 0 0 "[ . 1 . 2]" 1
108 1 41 ILE MD 1 92 CYS H 3.495 . 5.190 3.687 3.104 4.477 . 0 0 "[ . 1 . 2]" 1
109 1 39 LEU MD1 1 55 TYR QD 3.310 . 4.820 4.728 4.299 4.862 0.042 3 0 "[ . 1 . 2]" 1
110 1 60 LEU MD1 1 66 TYR QD 2.815 . 3.830 3.474 3.163 3.765 . 0 0 "[ . 1 . 2]" 1
111 1 41 ILE MG 1 92 CYS H 3.170 . 4.540 3.946 3.046 4.449 . 0 0 "[ . 1 . 2]" 1
112 1 60 LEU MD1 1 72 GLN HE21 2.910 . 4.020 3.165 2.748 4.026 0.006 2 0 "[ . 1 . 2]" 1
113 1 41 ILE H 1 41 ILE MG 2.870 . 3.940 3.857 3.829 3.885 . 0 0 "[ . 1 . 2]" 1
114 1 6 LEU MD1 1 11 ALA H 3.295 . 4.790 2.763 2.420 4.633 . 0 0 "[ . 1 . 2]" 1
115 1 3 PHE QD 1 26 LEU MD1 3.120 . 4.440 3.416 3.203 4.256 . 0 0 "[ . 1 . 2]" 1
116 1 3 PHE QE 1 26 LEU MD1 3.395 . 4.990 4.052 2.221 4.917 . 0 0 "[ . 1 . 2]" 1
117 1 8 ARG H 1 8 ARG HG3 3.185 . 4.570 3.327 2.077 4.452 . 0 0 "[ . 1 . 2]" 1
118 1 39 LEU MD2 1 55 TYR QD 3.310 . 4.820 3.122 2.497 3.643 . 0 0 "[ . 1 . 2]" 1
119 1 67 ILE MD 1 83 TYR QE 2.965 . 4.130 2.268 1.926 4.140 0.010 5 0 "[ . 1 . 2]" 1
120 1 1 TRP HE1 1 80 VAL MG2 3.375 . 4.950 2.836 1.800 3.964 . 0 0 "[ . 1 . 2]" 1
121 1 37 TYR QD 1 76 LEU MD1 3.120 . 4.440 3.335 2.608 4.504 0.064 11 0 "[ . 1 . 2]" 1
122 1 3 PHE QD 1 26 LEU MD2 3.110 . 4.420 3.332 2.696 4.495 0.075 14 0 "[ . 1 . 2]" 1
123 1 3 PHE QE 1 26 LEU MD2 3.175 . 4.550 3.163 2.150 3.586 . 0 0 "[ . 1 . 2]" 1
124 1 3 PHE HZ 1 26 LEU MD2 3.445 . 5.090 4.385 2.062 5.101 0.011 9 0 "[ . 1 . 2]" 1
125 1 55 TYR QD 1 90 LEU MD1 3.540 . 5.280 3.576 2.988 4.194 . 0 0 "[ . 1 . 2]" 1
126 1 90 LEU H 1 90 LEU MD1 2.855 . 3.910 3.843 3.713 3.951 0.041 6 0 "[ . 1 . 2]" 1
127 1 83 TYR QE 1 90 LEU MD1 3.120 . 4.440 3.303 3.018 3.645 . 0 0 "[ . 1 . 2]" 1
128 1 25 PHE HZ 1 94 LEU MD1 3.460 . 5.120 3.496 3.124 3.855 . 0 0 "[ . 1 . 2]" 1
129 1 90 LEU MD2 1 91 CYS H 2.810 . 3.820 3.716 3.544 3.850 0.030 14 0 "[ . 1 . 2]" 1
130 1 83 TYR QE 1 90 LEU MD2 3.100 . 4.400 3.593 2.971 4.097 . 0 0 "[ . 1 . 2]" 1
131 1 13 ARG HG2 1 14 GLN H 3.035 . 4.270 2.812 2.390 3.018 . 0 0 "[ . 1 . 2]" 1
132 1 44 TRP HE1 1 49 GLY H 3.580 . 5.360 5.109 3.983 5.422 0.062 1 0 "[ . 1 . 2]" 1
133 1 38 SER H 1 39 LEU H 3.170 . 4.540 4.120 4.011 4.226 . 0 0 "[ . 1 . 2]" 1
134 1 65 TYR H 1 65 TYR QE 3.115 . 4.430 4.468 4.439 4.507 0.077 10 0 "[ . 1 . 2]" 1
135 1 43 ASP H 1 44 TRP H 3.215 . 4.630 4.463 4.372 4.567 . 0 0 "[ . 1 . 2]" 1
136 1 27 ILE H 1 28 ARG H 3.165 . 4.530 4.147 4.026 4.378 . 0 0 "[ . 1 . 2]" 1
137 1 77 GLN H 1 78 GLN HE21 3.575 . 5.350 4.673 4.293 4.922 . 0 0 "[ . 1 . 2]" 1
138 1 37 TYR H 1 57 ILE H 3.030 . 4.260 3.304 2.887 3.708 . 0 0 "[ . 1 . 2]" 1
139 1 49 GLY H 1 50 ASP H 3.255 . 4.710 4.460 3.561 4.619 . 0 0 "[ . 1 . 2]" 1
140 1 53 LYS H 1 54 HIS H 3.280 . 4.760 4.312 4.192 4.411 . 0 0 "[ . 1 . 2]" 1
141 1 58 ARG H 1 59 LYS H 3.205 . 4.610 4.463 4.400 4.539 . 0 0 "[ . 1 . 2]" 1
142 1 63 GLY H 1 64 GLY H 2.925 . 4.050 3.941 3.716 4.074 0.024 10 0 "[ . 1 . 2]" 1
143 1 14 GLN H 1 16 LEU H 3.055 . 4.310 3.881 3.743 4.093 . 0 0 "[ . 1 . 2]" 1
144 1 78 GLN H 1 81 GLN H 3.280 . 4.760 4.747 4.619 4.794 0.034 17 0 "[ . 1 . 2]" 1
145 1 33 THR H 1 36 ALA H 3.225 . 4.650 4.587 4.209 4.730 0.080 19 0 "[ . 1 . 2]" 1
146 1 33 THR H 1 34 LYS H 3.240 . 4.680 4.385 4.111 4.555 . 0 0 "[ . 1 . 2]" 1
147 1 30 SER H 1 33 THR H 3.650 . 5.500 5.219 4.942 5.550 0.050 20 0 "[ . 1 . 2]" 1
148 1 80 VAL H 1 82 HIS H 3.090 . 4.380 4.113 3.820 4.386 0.006 5 0 "[ . 1 . 2]" 1
149 1 11 ALA H 1 13 ARG H 3.085 . 4.370 4.329 4.198 4.402 0.032 9 0 "[ . 1 . 2]" 1
150 1 77 GLN HE22 1 81 GLN HE21 3.165 . 4.530 3.262 2.044 4.554 0.024 14 0 "[ . 1 . 2]" 1
151 1 78 GLN H 1 78 GLN HE21 3.040 . 4.280 3.031 2.814 3.127 . 0 0 "[ . 1 . 2]" 1
152 1 30 SER H 1 36 ALA H 3.040 . 4.280 3.804 3.505 4.097 . 0 0 "[ . 1 . 2]" 1
153 1 1 TRP HZ2 1 80 VAL H 3.260 . 4.720 4.996 4.028 8.681 3.961 11 3 "[ -. 1+ . *2]" 1
154 1 2 TYR H 1 3 PHE QD 3.200 . 4.600 4.479 3.373 4.667 0.067 5 0 "[ . 1 . 2]" 1
155 1 72 GLN H 1 72 GLN HE21 3.290 . 4.780 3.356 2.287 3.961 . 0 0 "[ . 1 . 2]" 1
156 1 3 PHE H 1 3 PHE QD 2.905 . 4.010 2.585 2.019 3.704 . 0 0 "[ . 1 . 2]" 1
157 1 83 TYR QD 1 90 LEU H 3.455 . 5.110 4.623 3.886 5.143 0.033 6 0 "[ . 1 . 2]" 1
158 1 77 GLN HE21 1 78 GLN HE22 2.830 . 3.860 3.842 3.409 3.909 0.049 6 0 "[ . 1 . 2]" 1
159 1 73 PHE QD 1 78 GLN HE21 3.650 . 5.500 5.613 5.582 5.632 0.132 8 0 "[ . 1 . 2]" 1
160 1 77 GLN HE22 1 78 GLN HE21 2.975 . 4.150 2.847 2.639 3.182 . 0 0 "[ . 1 . 2]" 1
161 1 75 THR H 1 79 LEU H 2.980 . 4.160 4.189 3.903 4.262 0.102 16 0 "[ . 1 . 2]" 1
162 1 78 GLN HE21 1 79 LEU H 3.380 . 4.960 4.912 4.742 4.997 0.037 7 0 "[ . 1 . 2]" 1
163 1 2 TYR QD 1 3 PHE H 3.095 . 4.390 3.411 2.352 4.017 . 0 0 "[ . 1 . 2]" 1
164 1 65 TYR QD 1 66 TYR H 3.065 . 4.330 4.071 3.764 4.361 0.031 6 0 "[ . 1 . 2]" 1
165 1 78 GLN HE22 1 81 GLN HE22 2.730 . 3.660 2.351 1.998 2.929 . 0 0 "[ . 1 . 2]" 1
166 1 51 HIS HD2 1 52 VAL H 3.085 . 4.370 3.123 1.878 4.409 0.039 10 0 "[ . 1 . 2]" 1
167 1 2 TYR QD 1 4 GLY H 3.280 . 4.760 3.351 1.822 4.476 . 0 0 "[ . 1 . 2]" 1
168 1 54 HIS HA 1 55 TYR QD 3.480 . 5.160 3.471 2.876 3.975 . 0 0 "[ . 1 . 2]" 1
169 1 4 GLY H 1 5 LYS H 3.165 . 4.530 4.245 3.602 4.414 . 0 0 "[ . 1 . 2]" 1
170 1 2 TYR QE 1 4 GLY H 3.050 . 4.300 4.050 3.018 4.470 0.170 14 0 "[ . 1 . 2]" 1
171 1 40 SER HA 1 55 TYR H 3.135 . 4.470 3.737 3.412 4.051 . 0 0 "[ . 1 . 2]" 1
172 1 66 TYR HA 1 66 TYR QD 3.170 . 4.540 3.754 3.720 3.770 . 0 0 "[ . 1 . 2]" 1
173 1 37 TYR HA 1 37 TYR QD 3.015 . 4.230 2.927 2.721 3.163 . 0 0 "[ . 1 . 2]" 1
174 1 2 TYR HA 1 4 GLY H 3.190 . 4.580 3.858 3.007 4.594 0.014 5 0 "[ . 1 . 2]" 1
175 1 4 GLY H 1 28 ARG HA 3.055 . 4.310 3.648 2.788 4.416 0.106 4 0 "[ . 1 . 2]" 1
176 1 66 TYR QD 1 68 THR HA 3.255 . 4.710 3.518 3.134 4.014 . 0 0 "[ . 1 . 2]" 1
177 1 66 TYR QD 1 72 GLN HA 3.460 . 5.120 4.392 4.044 4.699 . 0 0 "[ . 1 . 2]" 1
178 1 36 ALA HA 1 37 TYR QD 2.805 . 3.810 3.366 3.053 3.820 0.010 9 0 "[ . 1 . 2]" 1
179 1 65 TYR QE 1 75 THR HA 3.100 . 4.400 2.721 2.333 3.890 . 0 0 "[ . 1 . 2]" 1
180 1 59 LYS HA 1 65 TYR QD 2.945 . 4.090 3.509 2.624 4.155 0.065 13 0 "[ . 1 . 2]" 1
181 1 65 TYR QD 1 75 THR HA 3.130 . 4.460 2.253 1.885 2.792 . 0 0 "[ . 1 . 2]" 1
182 1 83 TYR HA 1 83 TYR QD 2.840 . 3.880 2.274 2.070 2.750 . 0 0 "[ . 1 . 2]" 1
183 1 73 PHE HA 1 73 PHE QD 2.840 . 3.880 2.995 2.838 3.102 . 0 0 "[ . 1 . 2]" 1
184 1 44 TRP HA 1 44 TRP HD1 2.945 . 4.090 3.038 2.314 3.279 . 0 0 "[ . 1 . 2]" 1
185 1 66 TYR HB3 1 67 ILE H 3.285 . 4.770 4.090 4.029 4.156 . 0 0 "[ . 1 . 2]" 1
186 1 15 LEU MD1 1 40 SER H 3.650 . 5.500 4.523 4.192 5.051 . 0 0 "[ . 1 . 2]" 1
187 1 15 LEU MD2 1 40 SER H 3.650 . 5.500 5.020 4.577 5.522 0.022 10 0 "[ . 1 . 2]" 1
188 1 26 LEU MD1 1 28 ARG H 2.945 . 4.090 2.943 2.638 3.411 . 0 0 "[ . 1 . 2]" 1
189 1 5 LYS H 1 29 GLU HB2 3.385 . 4.970 4.170 2.562 5.004 0.034 12 0 "[ . 1 . 2]" 1
190 1 59 LYS HB2 1 60 LEU H 3.055 . 4.310 4.070 3.814 4.253 . 0 0 "[ . 1 . 2]" 1
191 1 16 LEU MD2 1 52 VAL H 3.110 . 4.420 3.720 3.060 4.315 . 0 0 "[ . 1 . 2]" 1
192 1 16 LEU MD1 1 52 VAL H 3.110 . 4.420 3.664 2.713 4.406 . 0 0 "[ . 1 . 2]" 1
193 1 95 VAL H 1 95 VAL MG2 2.965 . 4.130 2.871 2.191 3.905 . 0 0 "[ . 1 . 2]" 1
194 1 86 ARG HG3 1 87 ALA H 3.650 . 5.500 4.085 3.416 5.121 . 0 0 "[ . 1 . 2]" 1
195 1 87 ALA H 1 88 ALA MB 3.650 . 5.500 4.450 4.217 4.634 . 0 0 "[ . 1 . 2]" 1
196 1 15 LEU H 1 15 LEU HG 2.925 . 4.050 2.889 2.361 4.157 0.107 5 0 "[ . 1 . 2]" 1
197 1 58 ARG H 1 58 ARG HG3 3.410 . 5.020 4.027 2.516 4.679 . 0 0 "[ . 1 . 2]" 1
198 1 11 ALA MB 1 15 LEU H 3.650 . 5.500 4.751 4.366 5.099 . 0 0 "[ . 1 . 2]" 1
199 1 16 LEU H 1 16 LEU MD2 2.875 . 3.950 3.387 3.085 3.889 . 0 0 "[ . 1 . 2]" 1
200 1 79 LEU HG 1 80 VAL H 3.025 . 4.250 3.792 1.943 4.323 0.073 14 0 "[ . 1 . 2]" 1
201 1 71 ALA MB 1 72 GLN H 2.630 . 3.460 3.101 2.638 3.490 0.030 19 0 "[ . 1 . 2]" 1
202 1 6 LEU H 1 28 ARG HB2 3.070 . 4.340 2.545 2.124 2.905 . 0 0 "[ . 1 . 2]" 1
203 1 5 LYS HG3 1 6 LEU H 3.170 . 4.540 4.013 3.246 4.397 . 0 0 "[ . 1 . 2]" 1
204 1 75 THR H 1 78 GLN HG2 3.165 . 4.530 2.791 2.387 3.136 . 0 0 "[ . 1 . 2]" 1
205 1 90 LEU MD1 1 91 CYS H 3.245 . 4.690 4.272 4.123 4.537 . 0 0 "[ . 1 . 2]" 1
206 1 79 LEU HG 1 83 TYR QD 2.935 . 4.070 3.239 2.798 4.100 0.030 20 0 "[ . 1 . 2]" 1
207 1 83 TYR QD 1 90 LEU MD1 2.865 . 3.930 2.876 2.583 3.044 . 0 0 "[ . 1 . 2]" 1
208 1 83 TYR QD 1 94 LEU MD1 3.125 . 4.450 3.057 2.568 3.683 . 0 0 "[ . 1 . 2]" 1
209 1 83 TYR QD 1 90 LEU MD2 3.175 . 4.550 4.271 3.772 4.626 0.076 6 0 "[ . 1 . 2]" 1
210 1 71 ALA MB 1 73 PHE QD 3.260 . 4.720 3.966 3.439 4.345 . 0 0 "[ . 1 . 2]" 1
211 1 96 VAL H 1 96 VAL MG2 3.135 . 4.470 2.910 2.279 4.006 . 0 0 "[ . 1 . 2]" 1
212 1 73 PHE QE 1 82 HIS HB3 3.150 . 4.500 3.275 2.707 3.623 . 0 0 "[ . 1 . 2]" 1
213 1 25 PHE HZ 1 80 VAL MG2 3.500 . 5.200 3.847 3.094 4.620 . 0 0 "[ . 1 . 2]" 1
214 1 68 THR MG 1 83 TYR QE 3.415 . 5.030 3.549 3.114 4.182 . 0 0 "[ . 1 . 2]" 1
215 1 1 TRP HZ3 1 27 ILE MG 3.105 . 4.410 3.755 2.630 8.527 4.117 11 3 "[ -. 1+ . *2]" 1
216 1 60 LEU HB2 1 66 TYR QE 3.585 . 5.370 4.711 4.379 5.373 0.003 5 0 "[ . 1 . 2]" 1
217 1 60 LEU HB3 1 66 TYR QE 3.650 . 5.500 4.724 4.448 5.258 . 0 0 "[ . 1 . 2]" 1
218 1 27 ILE HA 1 57 ILE MD 3.500 . 5.200 4.089 3.738 4.419 . 0 0 "[ . 1 . 2]" 1
219 1 38 SER HA 1 57 ILE HG13 3.250 . 4.700 2.788 2.204 3.578 . 0 0 "[ . 1 . 2]" 1
220 1 59 LYS HA 1 59 LYS HG3 2.915 . 4.030 2.614 2.530 2.716 . 0 0 "[ . 1 . 2]" 1
221 1 59 LYS HA 1 59 LYS HG2 2.915 . 4.030 3.077 2.831 3.207 . 0 0 "[ . 1 . 2]" 1
222 1 83 TYR HA 1 90 LEU MD1 3.275 . 4.750 4.252 4.005 4.503 . 0 0 "[ . 1 . 2]" 1
223 1 83 TYR HA 1 94 LEU MD1 3.540 . 5.280 4.492 4.380 4.604 . 0 0 "[ . 1 . 2]" 1
224 1 30 SER HB3 1 33 THR H 3.240 . 4.680 2.730 1.942 3.833 . 0 0 "[ . 1 . 2]" 1
225 1 99 HIS HD2 1 100 LYS HA 3.220 . 4.640 4.124 3.331 4.716 0.076 19 0 "[ . 1 . 2]" 1
226 1 63 GLY HA2 1 64 GLY HA2 3.610 . 5.420 4.402 4.297 4.493 . 0 0 "[ . 1 . 2]" 1
227 1 10 ASP HA 1 13 ARG HD3 3.485 . 5.170 3.061 1.991 4.337 . 0 0 "[ . 1 . 2]" 1
228 1 45 ASP HB2 1 49 GLY HA2 2.900 . 4.000 4.006 3.456 4.091 0.091 20 0 "[ . 1 . 2]" 1
229 1 83 TYR HB3 1 87 ALA HA 3.120 . 4.440 3.896 3.569 4.582 0.142 6 0 "[ . 1 . 2]" 1
230 1 21 PRO HB2 1 22 ARG HA 3.520 . 5.240 4.618 4.491 4.975 . 0 0 "[ . 1 . 2]" 1
231 1 22 ARG HA 1 42 ARG HB3 3.605 . 5.410 3.182 2.724 4.369 . 0 0 "[ . 1 . 2]" 1
232 1 87 ALA HA 1 90 LEU HB2 2.710 . 3.620 3.112 2.859 3.513 . 0 0 "[ . 1 . 2]" 1
233 1 13 ARG HA 1 16 LEU HB3 3.555 . 5.310 4.595 4.061 5.054 . 0 0 "[ . 1 . 2]" 1
234 1 16 LEU HA 1 16 LEU HG 3.035 . 4.270 3.024 2.470 3.302 . 0 0 "[ . 1 . 2]" 1
235 1 86 ARG HA 1 93 ARG HB3 2.960 . 4.120 3.396 2.955 4.005 . 0 0 "[ . 1 . 2]" 1
236 1 5 LYS HA 1 5 LYS HG3 2.915 . 4.030 2.583 2.436 3.093 . 0 0 "[ . 1 . 2]" 1
237 1 5 LYS HA 1 5 LYS HG2 2.915 . 4.030 3.103 2.760 3.821 . 0 0 "[ . 1 . 2]" 1
238 1 31 GLU HA 1 32 THR MG 3.645 . 5.490 4.778 4.501 5.008 . 0 0 "[ . 1 . 2]" 1
239 1 87 ALA MB 1 88 ALA HA 3.105 . 4.410 4.274 4.102 4.348 . 0 0 "[ . 1 . 2]" 1
240 1 48 LYS HA 1 48 LYS HG2 2.820 . 3.840 2.891 2.561 3.398 . 0 0 "[ . 1 . 2]" 1
241 1 48 LYS HA 1 48 LYS HG3 2.820 . 3.840 3.343 2.438 3.886 0.046 19 0 "[ . 1 . 2]" 1
242 1 60 LEU MD1 1 64 GLY HA3 3.240 . 4.680 3.943 3.374 4.215 . 0 0 "[ . 1 . 2]" 1
243 1 90 LEU HA 1 90 LEU MD1 3.110 . 4.420 3.872 3.834 3.922 . 0 0 "[ . 1 . 2]" 1
244 1 90 LEU MD1 1 93 ARG HA 3.280 . 4.760 3.519 2.791 4.367 . 0 0 "[ . 1 . 2]" 1
245 1 80 VAL HA 1 94 LEU MD2 3.265 . 4.730 4.487 4.306 4.647 . 0 0 "[ . 1 . 2]" 1
246 1 55 TYR HB3 1 67 ILE MD 3.080 . 4.360 2.907 2.227 3.532 . 0 0 "[ . 1 . 2]" 1
247 1 27 ILE MG 1 37 TYR HB3 2.930 . 4.060 2.063 1.870 2.404 . 0 0 "[ . 1 . 2]" 1
248 1 37 TYR HB3 1 57 ILE MD 3.230 . 4.660 2.459 2.174 2.898 . 0 0 "[ . 1 . 2]" 1
249 1 26 LEU HB3 1 98 CYS HB2 3.175 . 4.550 2.802 1.927 3.464 . 0 0 "[ . 1 . 2]" 1
250 1 26 LEU MD1 1 28 ARG HD2 3.145 . 4.490 4.026 3.605 4.553 0.063 18 0 "[ . 1 . 2]" 1
251 1 11 ALA MB 1 28 ARG HD2 2.990 . 4.180 3.018 2.424 3.980 . 0 0 "[ . 1 . 2]" 1
252 1 73 PHE HB3 1 78 GLN HB2 3.020 . 4.240 1.886 1.828 1.955 . 0 0 "[ . 1 . 2]" 1
253 1 74 GLU HB3 1 78 GLN HG3 2.410 . 3.020 2.326 1.967 2.895 . 0 0 "[ . 1 . 2]" 1
254 1 74 GLU HB3 1 75 THR MG 2.655 . 3.510 2.839 2.588 3.270 . 0 0 "[ . 1 . 2]" 1
255 1 77 GLN QB 1 78 GLN HG2 3.050 . 4.300 3.510 3.209 3.913 . 0 0 "[ . 1 . 2]" 1
256 1 79 LEU HA 1 79 LEU MD2 2.970 . 4.140 3.715 3.504 4.132 . 0 0 "[ . 1 . 2]" 1
257 1 14 GLN HB2 1 26 LEU MD2 3.170 . 4.540 2.864 2.182 3.584 . 0 0 "[ . 1 . 2]" 1
258 1 15 LEU HB3 1 42 ARG HB2 2.680 . 3.560 1.999 1.805 2.339 . 0 0 "[ . 1 . 2]" 1
259 1 41 ILE MD 1 90 LEU HB2 2.990 . 4.180 3.912 3.433 4.193 0.013 4 0 "[ . 1 . 2]" 1
260 1 60 LEU MD1 1 72 GLN HB2 2.820 . 3.840 2.615 2.304 2.997 . 0 0 "[ . 1 . 2]" 1
261 1 27 ILE HG12 1 39 LEU HB2 2.595 . 3.390 2.954 2.409 3.403 0.013 17 0 "[ . 1 . 2]" 1
262 1 27 ILE HG12 1 57 ILE MD 2.995 . 4.190 2.723 2.161 3.124 . 0 0 "[ . 1 . 2]" 1
263 1 27 ILE HG12 1 76 LEU HG 3.650 . 5.500 5.160 4.751 5.748 0.248 12 0 "[ . 1 . 2]" 1
264 1 76 LEU HG 1 79 LEU HB3 3.650 . 5.500 4.670 3.921 5.587 0.087 19 0 "[ . 1 . 2]" 1
265 1 27 ILE HG12 1 27 ILE MG 2.675 . 3.550 2.401 2.061 2.497 . 0 0 "[ . 1 . 2]" 1
266 1 67 ILE HB 1 67 ILE MD 2.675 . 3.550 2.446 2.411 2.497 . 0 0 "[ . 1 . 2]" 1
267 1 15 LEU HG 1 26 LEU MD2 2.905 . 4.010 2.815 2.124 4.064 0.054 13 0 "[ . 1 . 2]" 1
268 1 39 LEU HG 1 67 ILE MD 3.075 . 4.350 3.988 3.845 4.261 . 0 0 "[ . 1 . 2]" 1
269 1 80 VAL HB 1 94 LEU MD1 2.980 . 4.160 2.182 2.036 2.300 . 0 0 "[ . 1 . 2]" 1
270 1 33 THR MG 1 36 ALA MB 2.330 . 2.860 2.092 1.993 2.161 . 0 0 "[ . 1 . 2]" 1
271 1 41 ILE HB 1 41 ILE MD 2.575 . 3.350 2.440 2.408 2.481 . 0 0 "[ . 1 . 2]" 1
272 1 26 LEU HB3 1 98 CYS HB3 3.175 . 4.550 2.410 2.041 3.271 . 0 0 "[ . 1 . 2]" 1
273 1 67 ILE MD 1 79 LEU HG 3.080 . 4.360 3.462 2.872 4.453 0.093 18 0 "[ . 1 . 2]" 1
274 1 68 THR MG 1 90 LEU MD2 3.125 . 4.450 4.074 3.023 4.517 0.067 11 0 "[ . 1 . 2]" 1
275 1 26 LEU HB2 1 26 LEU MD1 2.540 . 3.280 2.272 2.193 2.345 . 0 0 "[ . 1 . 2]" 1
276 1 39 LEU HB3 1 67 ILE MD 3.080 . 4.360 2.602 2.324 3.235 . 0 0 "[ . 1 . 2]" 1
277 1 39 LEU HB3 1 39 LEU MD2 2.835 . 3.870 2.327 2.285 2.357 . 0 0 "[ . 1 . 2]" 1
278 1 26 LEU MD1 1 28 ARG HB2 2.885 . 3.970 3.640 3.314 3.997 0.027 13 0 "[ . 1 . 2]" 1
279 1 75 THR MG 1 78 GLN HG2 3.115 . 4.430 1.920 1.793 2.483 0.007 16 0 "[ . 1 . 2]" 1
280 1 75 THR MG 1 78 GLN HG3 2.855 . 3.910 2.880 2.719 3.583 . 0 0 "[ . 1 . 2]" 1
281 1 79 LEU HB2 1 79 LEU MD1 2.910 . 4.020 2.066 2.000 2.238 . 0 0 "[ . 1 . 2]" 1
282 1 67 ILE HB 1 79 LEU HB2 3.410 . 5.020 5.138 5.017 5.182 0.162 16 0 "[ . 1 . 2]" 1
283 1 67 ILE HG13 1 79 LEU HB2 3.490 . 5.180 4.913 3.718 5.202 0.022 1 0 "[ . 1 . 2]" 1
284 1 45 ASP HB2 1 48 LYS HB2 3.000 . 4.200 2.378 1.874 2.907 . 0 0 "[ . 1 . 2]" 1
285 1 15 LEU HG 1 24 THR MG 3.070 . 4.340 4.337 4.186 4.394 0.054 15 0 "[ . 1 . 2]" 1
286 1 6 LEU MD2 1 11 ALA MB 2.570 . 3.340 3.101 1.779 3.410 0.070 18 0 "[ . 1 . 2]" 1
287 1 6 LEU MD2 1 26 LEU MD2 3.070 . 4.340 3.670 3.325 4.198 . 0 0 "[ . 1 . 2]" 1
288 1 24 THR MG 1 26 LEU MD2 3.270 . 4.740 4.164 3.832 4.599 . 0 0 "[ . 1 . 2]" 1
289 1 41 ILE MD 1 94 LEU HG 3.065 . 4.330 3.948 3.716 4.222 . 0 0 "[ . 1 . 2]" 1
290 1 41 ILE MG 1 90 LEU HB3 3.495 . 5.190 4.836 4.244 5.210 0.020 18 0 "[ . 1 . 2]" 1
291 1 67 ILE MG 1 90 LEU MD1 2.960 . 4.120 3.320 2.743 3.798 . 0 0 "[ . 1 . 2]" 1
292 1 39 LEU HB3 1 67 ILE MG 3.385 . 4.970 4.549 4.018 4.827 . 0 0 "[ . 1 . 2]" 1
293 1 39 LEU HB3 1 67 ILE HG12 3.510 . 5.220 4.313 3.866 4.665 . 0 0 "[ . 1 . 2]" 1
294 1 15 LEU HB2 1 16 LEU MD1 3.140 . 4.480 3.821 2.123 4.473 . 0 0 "[ . 1 . 2]" 1
295 1 57 ILE MG 1 76 LEU HG 3.010 . 4.220 3.994 2.337 4.258 0.038 5 0 "[ . 1 . 2]" 1
296 1 57 ILE MG 1 76 LEU MD2 3.005 . 4.210 3.408 1.858 4.195 . 0 0 "[ . 1 . 2]" 1
297 1 16 LEU HB3 1 16 LEU MD1 2.620 . 3.440 2.566 2.359 3.230 . 0 0 "[ . 1 . 2]" 1
298 1 16 LEU MD1 1 52 VAL HB 3.270 . 4.740 3.900 3.358 4.562 . 0 0 "[ . 1 . 2]" 1
299 1 57 ILE HG12 1 57 ILE MG 2.460 . 3.120 2.395 2.327 2.477 . 0 0 "[ . 1 . 2]" 1
300 1 57 ILE MD 1 76 LEU MD1 2.985 . 4.170 2.169 1.812 3.709 . 0 0 "[ . 1 . 2]" 1
301 1 60 LEU MD1 1 72 GLN HG3 2.855 . 3.910 2.439 2.030 3.351 . 0 0 "[ . 1 . 2]" 1
302 1 39 LEU HB3 1 39 LEU MD1 2.835 . 3.870 3.210 3.200 3.219 . 0 0 "[ . 1 . 2]" 1
303 1 39 LEU HB3 1 57 ILE MD 2.855 . 3.910 3.317 2.960 3.547 . 0 0 "[ . 1 . 2]" 1
304 1 39 LEU HB2 1 57 ILE MD 2.950 . 4.100 1.979 1.879 2.086 . 0 0 "[ . 1 . 2]" 1
305 1 27 ILE MG 1 57 ILE MD 2.580 . 3.360 2.239 1.974 2.523 . 0 0 "[ . 1 . 2]" 1
306 1 25 PHE HB2 1 41 ILE MG 3.035 . 4.270 3.981 3.672 4.244 . 0 0 "[ . 1 . 2]" 1
307 1 6 LEU MD1 1 26 LEU MD1 2.785 . 3.770 3.010 2.489 3.635 . 0 0 "[ . 1 . 2]" 1
308 1 6 LEU MD2 1 26 LEU MD1 2.785 . 3.770 2.520 2.080 3.023 . 0 0 "[ . 1 . 2]" 1
309 1 27 ILE MG 1 76 LEU HG 3.035 . 4.270 3.293 2.317 3.986 . 0 0 "[ . 1 . 2]" 1
310 1 16 LEU MD2 1 52 VAL HB 3.270 . 4.740 4.314 3.994 4.784 0.044 5 0 "[ . 1 . 2]" 1
311 1 15 LEU HB2 1 16 LEU MD2 3.140 . 4.480 3.551 3.152 4.571 0.091 9 0 "[ . 1 . 2]" 1
312 1 15 LEU MD2 1 26 LEU HG 3.145 . 4.490 2.507 2.129 3.465 . 0 0 "[ . 1 . 2]" 1
313 1 27 ILE MD 1 80 VAL MG2 2.825 . 3.850 3.603 3.137 3.882 0.032 8 0 "[ . 1 . 2]" 1
314 1 67 ILE MD 1 90 LEU MD2 2.635 . 3.470 3.192 2.758 3.525 0.055 11 0 "[ . 1 . 2]" 1
315 1 27 ILE MG 1 76 LEU MD1 2.850 . 3.900 2.911 1.808 3.664 . 0 0 "[ . 1 . 2]" 1
316 1 94 LEU HB2 1 94 LEU MD1 2.665 . 3.530 2.381 2.340 2.443 . 0 0 "[ . 1 . 2]" 1
317 1 57 ILE MD 1 76 LEU MD2 2.985 . 4.170 2.927 1.844 4.163 . 0 0 "[ . 1 . 2]" 1
318 1 58 ARG HA 1 58 ARG HG2 2.990 . 4.180 3.148 2.447 3.794 . 0 0 "[ . 1 . 2]" 1
319 1 58 ARG HA 1 58 ARG HG3 2.990 . 4.180 3.069 2.495 3.844 . 0 0 "[ . 1 . 2]" 1
320 1 67 ILE HA 1 67 ILE HG12 2.820 . 3.840 2.380 2.320 2.505 . 0 0 "[ . 1 . 2]" 1
321 1 23 GLY HA3 1 95 VAL HB 3.050 . 4.300 2.713 2.124 3.453 . 0 0 "[ . 1 . 2]" 1
322 1 67 ILE HA 1 67 ILE HG13 3.010 . 4.220 2.723 2.550 2.987 . 0 0 "[ . 1 . 2]" 1
323 1 60 LEU HA 1 60 LEU HG 2.930 . 4.060 3.106 3.025 3.210 . 0 0 "[ . 1 . 2]" 1
324 1 10 ASP HA 1 13 ARG HG3 2.910 . 4.020 3.663 3.203 4.043 0.023 4 0 "[ . 1 . 2]" 1
325 1 10 ASP HA 1 13 ARG HG2 2.870 . 3.940 2.325 1.949 2.685 . 0 0 "[ . 1 . 2]" 1
326 1 57 ILE HA 1 67 ILE HG13 3.305 . 4.810 2.958 2.425 3.622 . 0 0 "[ . 1 . 2]" 1
327 1 85 GLU HB2 1 86 ARG HA 3.480 . 5.160 4.520 4.129 4.733 . 0 0 "[ . 1 . 2]" 1
328 1 85 GLU HB3 1 86 ARG HA 3.650 . 5.500 4.767 4.381 5.048 . 0 0 "[ . 1 . 2]" 1
329 1 70 ARG HA 1 70 ARG HG2 2.975 . 4.150 3.519 2.604 4.214 0.064 16 0 "[ . 1 . 2]" 1
330 1 70 ARG HA 1 70 ARG HG3 2.975 . 4.150 3.350 2.503 3.741 . 0 0 "[ . 1 . 2]" 1
331 1 90 LEU HA 1 90 LEU HG 3.020 . 4.240 3.358 3.262 3.443 . 0 0 "[ . 1 . 2]" 1
332 1 82 HIS HA 1 85 GLU HB2 3.100 . 4.400 3.529 3.043 4.120 . 0 0 "[ . 1 . 2]" 1
333 1 9 LYS HA 1 13 ARG QB 3.250 . 4.700 4.642 4.078 4.797 0.097 18 0 "[ . 1 . 2]" 1
334 1 9 LYS HA 1 9 LYS HG3 2.905 . 4.010 3.390 2.864 3.827 . 0 0 "[ . 1 . 2]" 1
335 1 94 LEU HA 1 95 VAL HB 3.315 . 4.830 4.560 4.463 4.757 . 0 0 "[ . 1 . 2]" 1
336 1 12 GLU HA 1 15 LEU HG 3.195 . 4.590 3.840 3.027 4.643 0.053 18 0 "[ . 1 . 2]" 1
337 1 24 THR HB 1 42 ARG HB3 2.855 . 3.910 2.539 1.967 2.918 . 0 0 "[ . 1 . 2]" 1
338 1 15 LEU HB3 1 24 THR HB 2.995 . 4.190 3.377 2.625 4.216 0.026 10 0 "[ . 1 . 2]" 1
339 1 76 LEU HA 1 79 LEU HB3 3.080 . 4.360 2.814 2.177 3.801 . 0 0 "[ . 1 . 2]" 1
340 1 26 LEU MD1 1 28 ARG HD3 3.145 . 4.490 3.096 2.409 3.917 . 0 0 "[ . 1 . 2]" 1
341 1 37 TYR HB2 1 57 ILE HB 3.055 . 4.310 2.062 1.849 2.333 . 0 0 "[ . 1 . 2]" 1
342 1 80 VAL HB 1 83 TYR HB2 3.155 . 4.510 4.415 4.107 4.541 0.031 20 0 "[ . 1 . 2]" 1
343 1 67 ILE MD 1 90 LEU MD1 2.735 . 3.670 3.096 2.622 3.684 0.014 9 0 "[ . 1 . 2]" 1
344 1 53 LYS HG2 1 54 HIS H 3.650 . 5.500 4.289 2.911 5.095 . 0 0 "[ . 1 . 2]" 1
345 1 53 LYS HG3 1 54 HIS H 3.650 . 5.500 4.750 3.172 5.514 0.014 20 0 "[ . 1 . 2]" 1
346 1 59 LYS HB3 1 60 LEU H 3.055 . 4.310 3.976 3.518 4.259 . 0 0 "[ . 1 . 2]" 1
347 1 25 PHE HZ 1 80 VAL MG1 3.500 . 5.200 4.394 3.827 4.932 . 0 0 "[ . 1 . 2]" 1
348 1 60 LEU H 1 66 TYR QD 3.185 . 4.570 3.193 2.800 3.702 . 0 0 "[ . 1 . 2]" 1
349 1 17 SER HB2 1 18 PHE H 3.500 . 5.200 3.553 2.102 4.307 . 0 0 "[ . 1 . 2]" 1
350 1 17 SER HB3 1 18 PHE H 3.500 . 5.200 3.457 2.571 4.135 . 0 0 "[ . 1 . 2]" 1
351 1 75 THR H 1 78 GLN HB2 2.800 . 3.800 2.532 2.238 2.746 . 0 0 "[ . 1 . 2]" 1
352 1 60 LEU HA 1 66 TYR QE 3.190 . 4.580 3.164 2.682 3.987 . 0 0 "[ . 1 . 2]" 1
353 1 67 ILE MG 1 83 TYR QE 3.045 . 4.290 3.463 3.135 4.296 0.006 5 0 "[ . 1 . 2]" 1
354 1 87 ALA HA 1 93 ARG HA 2.625 . 3.450 2.513 2.115 3.033 . 0 0 "[ . 1 . 2]" 1
355 1 13 ARG HG3 1 14 GLN HA 2.645 . 3.490 3.444 3.075 3.561 0.071 18 0 "[ . 1 . 2]" 1
356 1 15 LEU HA 1 15 LEU HG 2.760 . 3.720 3.186 2.897 3.714 . 0 0 "[ . 1 . 2]" 1
357 1 87 ALA HA 1 90 LEU HG 3.005 . 4.210 4.017 3.508 4.256 0.046 6 0 "[ . 1 . 2]" 1
358 1 87 ALA HA 1 90 LEU H 3.195 . 4.590 3.808 3.528 3.999 . 0 0 "[ . 1 . 2]" 1
359 1 41 ILE HA 1 41 ILE MG 2.855 . 3.910 2.387 2.349 2.424 . 0 0 "[ . 1 . 2]" 1
360 1 52 VAL HA 1 52 VAL MG2 2.885 . 3.970 2.390 2.249 3.108 . 0 0 "[ . 1 . 2]" 1
361 1 52 VAL HA 1 52 VAL MG1 2.885 . 3.970 2.438 2.285 2.495 . 0 0 "[ . 1 . 2]" 1
362 1 79 LEU HA 1 79 LEU MD1 2.970 . 4.140 3.561 2.380 3.672 . 0 0 "[ . 1 . 2]" 1
363 1 39 LEU HB2 1 67 ILE HG12 3.650 . 5.500 4.514 4.167 4.893 . 0 0 "[ . 1 . 2]" 1
364 1 80 VAL MG2 1 94 LEU MD1 2.785 . 3.770 3.475 3.353 3.574 . 0 0 "[ . 1 . 2]" 1
365 1 90 LEU HB3 1 90 LEU MD2 2.770 . 3.740 2.470 2.397 2.517 . 0 0 "[ . 1 . 2]" 1
366 1 78 GLN H 1 79 LEU H 2.565 . 3.330 2.382 2.272 2.507 . 0 0 "[ . 1 . 2]" 1
367 1 78 GLN HG2 1 79 LEU H 3.045 . 4.290 4.194 4.017 4.314 0.024 10 0 "[ . 1 . 2]" 1
368 1 79 LEU H 1 79 LEU HB3 2.605 . 3.410 2.359 2.280 2.453 . 0 0 "[ . 1 . 2]" 1
369 1 79 LEU H 1 79 LEU MD2 3.115 . 4.430 3.803 3.070 4.143 . 0 0 "[ . 1 . 2]" 1
370 1 78 GLN HB2 1 79 LEU H 2.675 . 3.550 2.644 2.536 2.741 . 0 0 "[ . 1 . 2]" 1
371 1 79 LEU H 1 79 LEU HG 3.155 . 4.510 4.173 2.761 4.542 0.032 7 0 "[ . 1 . 2]" 1
372 1 79 LEU H 1 80 VAL H 2.570 . 3.340 2.770 2.583 2.924 . 0 0 "[ . 1 . 2]" 1
373 1 79 LEU H 1 79 LEU HB2 2.745 . 3.690 2.986 2.725 3.673 . 0 0 "[ . 1 . 2]" 1
374 1 59 LYS H 1 59 LYS HG3 3.305 . 4.810 4.701 4.655 4.788 . 0 0 "[ . 1 . 2]" 1
375 1 59 LYS H 1 59 LYS HB3 2.615 . 3.430 2.633 2.419 2.870 . 0 0 "[ . 1 . 2]" 1
376 1 58 ARG HA 1 59 LYS H 2.530 . 3.260 2.359 2.124 2.572 . 0 0 "[ . 1 . 2]" 1
377 1 59 LYS H 1 59 LYS HB2 2.615 . 3.430 3.053 2.906 3.222 . 0 0 "[ . 1 . 2]" 1
378 1 59 LYS H 1 59 LYS HG2 3.305 . 4.810 4.421 4.288 4.594 . 0 0 "[ . 1 . 2]" 1
379 1 59 LYS H 1 60 LEU H 3.200 . 4.600 4.323 4.237 4.438 . 0 0 "[ . 1 . 2]" 1
380 1 41 ILE H 1 41 ILE MD 3.115 . 4.430 3.936 3.844 4.047 . 0 0 "[ . 1 . 2]" 1
381 1 40 SER HB3 1 41 ILE H 3.140 . 4.480 3.925 3.672 4.320 . 0 0 "[ . 1 . 2]" 1
382 1 40 SER HB2 1 41 ILE H 3.140 . 4.480 4.384 4.282 4.505 0.025 14 0 "[ . 1 . 2]" 1
383 1 41 ILE H 1 41 ILE HB 2.710 . 3.620 2.614 2.562 2.659 . 0 0 "[ . 1 . 2]" 1
384 1 40 SER HA 1 41 ILE H 2.550 . 3.300 2.174 2.136 2.196 . 0 0 "[ . 1 . 2]" 1
385 1 22 ARG HA 1 23 GLY H 2.590 . 3.380 2.248 2.094 2.375 . 0 0 "[ . 1 . 2]" 1
386 1 22 ARG HB3 1 23 GLY H 3.070 . 4.340 3.735 2.679 4.247 . 0 0 "[ . 1 . 2]" 1
387 1 22 ARG HB2 1 23 GLY H 3.070 . 4.340 3.097 2.536 4.260 . 0 0 "[ . 1 . 2]" 1
388 1 91 CYS HB2 1 92 CYS H 3.280 . 4.760 3.606 2.843 4.345 . 0 0 "[ . 1 . 2]" 1
389 1 92 CYS H 1 92 CYS HB2 3.000 . 4.200 3.267 2.763 3.762 . 0 0 "[ . 1 . 2]" 1
390 1 92 CYS H 1 92 CYS HB3 3.000 . 4.200 3.044 2.685 3.949 . 0 0 "[ . 1 . 2]" 1
391 1 92 CYS H 1 93 ARG H 3.095 . 4.390 4.243 4.135 4.326 . 0 0 "[ . 1 . 2]" 1
392 1 91 CYS HB3 1 92 CYS H 3.280 . 4.760 3.654 2.779 4.180 . 0 0 "[ . 1 . 2]" 1
393 1 62 ASN HB3 1 62 ASN HD22 2.875 . 3.950 3.720 3.462 4.009 0.059 2 0 "[ . 1 . 2]" 1
394 1 62 ASN HB2 1 62 ASN HD22 2.875 . 3.950 3.670 3.439 4.006 0.056 19 0 "[ . 1 . 2]" 1
395 1 42 ARG H 1 42 ARG HB2 2.735 . 3.670 2.668 2.316 2.856 . 0 0 "[ . 1 . 2]" 1
396 1 41 ILE HB 1 42 ARG H 3.030 . 4.260 4.023 3.885 4.120 . 0 0 "[ . 1 . 2]" 1
397 1 42 ARG H 1 43 ASP H 3.195 . 4.590 4.232 4.080 4.446 . 0 0 "[ . 1 . 2]" 1
398 1 41 ILE HA 1 42 ARG H 2.620 . 3.440 2.152 2.089 2.224 . 0 0 "[ . 1 . 2]" 1
399 1 42 ARG H 1 42 ARG HB3 2.805 . 3.810 2.460 2.321 2.595 . 0 0 "[ . 1 . 2]" 1
400 1 66 TYR HB2 1 67 ILE H 3.285 . 4.770 3.048 2.922 3.107 . 0 0 "[ . 1 . 2]" 1
401 1 67 ILE H 1 67 ILE HB 2.885 . 3.970 2.256 2.116 2.443 . 0 0 "[ . 1 . 2]" 1
402 1 67 ILE H 1 67 ILE MG 3.085 . 4.370 3.593 3.435 3.788 . 0 0 "[ . 1 . 2]" 1
403 1 67 ILE H 1 67 ILE HG12 3.360 . 4.920 4.119 3.650 4.290 . 0 0 "[ . 1 . 2]" 1
404 1 67 ILE H 1 67 ILE MD 3.370 . 4.940 4.033 3.769 4.207 . 0 0 "[ . 1 . 2]" 1
405 1 67 ILE H 1 67 ILE HG13 3.120 . 4.440 3.115 2.473 3.371 . 0 0 "[ . 1 . 2]" 1
406 1 40 SER H 1 40 SER HB3 2.870 . 3.940 3.278 2.513 3.656 . 0 0 "[ . 1 . 2]" 1
407 1 40 SER H 1 40 SER HB2 2.870 . 3.940 2.521 2.433 2.791 . 0 0 "[ . 1 . 2]" 1
408 1 26 LEU HG 1 40 SER H 3.295 . 4.790 3.981 3.778 4.403 . 0 0 "[ . 1 . 2]" 1
409 1 39 LEU HG 1 40 SER H 3.495 . 5.190 3.726 3.106 3.949 . 0 0 "[ . 1 . 2]" 1
410 1 39 LEU HA 1 40 SER H 2.510 . 3.220 2.108 2.065 2.167 . 0 0 "[ . 1 . 2]" 1
411 1 16 LEU H 1 16 LEU MD1 2.875 . 3.950 3.365 2.358 3.757 . 0 0 "[ . 1 . 2]" 1
412 1 16 LEU H 1 16 LEU HB2 2.555 . 3.310 2.416 2.138 2.550 . 0 0 "[ . 1 . 2]" 1
413 1 16 LEU H 1 16 LEU HG 2.875 . 3.950 2.654 2.218 4.027 0.077 6 0 "[ . 1 . 2]" 1
414 1 15 LEU HB3 1 16 LEU H 2.780 . 3.760 3.591 3.378 3.840 0.080 10 0 "[ . 1 . 2]" 1
415 1 16 LEU H 1 16 LEU HB3 2.805 . 3.810 3.567 3.436 3.680 . 0 0 "[ . 1 . 2]" 1
416 1 15 LEU HB2 1 16 LEU H 2.905 . 4.010 2.604 2.406 2.880 . 0 0 "[ . 1 . 2]" 1
417 1 15 LEU H 1 16 LEU H 2.625 . 3.450 2.357 2.201 2.660 . 0 0 "[ . 1 . 2]" 1
418 1 2 TYR H 1 3 PHE H 3.055 . 4.310 4.103 3.790 4.320 0.010 5 0 "[ . 1 . 2]" 1
419 1 2 TYR H 1 2 TYR HB2 2.620 . 3.440 3.198 1.923 3.954 0.514 4 1 "[ +. 1 . 2]" 1
420 1 1 TRP HB3 1 2 TYR H 3.300 . 4.800 3.739 3.120 4.118 . 0 0 "[ . 1 . 2]" 1
421 1 2 TYR H 1 2 TYR HB3 2.620 . 3.440 2.761 2.174 3.267 . 0 0 "[ . 1 . 2]" 1
422 1 2 TYR H 1 2 TYR QD 3.115 . 4.430 3.831 2.313 4.420 . 0 0 "[ . 1 . 2]" 1
423 1 32 THR HB 1 33 THR H 2.930 . 4.060 3.818 3.229 4.147 0.087 6 0 "[ . 1 . 2]" 1
424 1 33 THR H 1 36 ALA MB 3.105 . 4.410 4.263 3.719 4.489 0.079 9 0 "[ . 1 . 2]" 1
425 1 33 THR H 1 33 THR HB 2.635 . 3.470 2.681 2.482 2.898 . 0 0 "[ . 1 . 2]" 1
426 1 32 THR H 1 33 THR H 2.545 . 3.290 2.341 2.144 2.711 . 0 0 "[ . 1 . 2]" 1
427 1 33 THR H 1 33 THR MG 2.875 . 3.950 3.827 3.693 3.978 0.028 17 0 "[ . 1 . 2]" 1
428 1 77 GLN QB 1 77 GLN HE22 3.365 . 4.930 4.018 3.748 4.132 . 0 0 "[ . 1 . 2]" 1
429 1 52 VAL HB 1 53 LYS H 2.980 . 4.160 4.090 3.056 4.217 0.057 8 0 "[ . 1 . 2]" 1
430 1 53 LYS H 1 53 LYS HB2 2.845 . 3.890 2.724 2.397 3.823 . 0 0 "[ . 1 . 2]" 1
431 1 41 ILE HB 1 53 LYS H 3.290 . 4.780 3.572 3.202 3.996 . 0 0 "[ . 1 . 2]" 1
432 1 52 VAL HA 1 53 LYS H 2.545 . 3.290 2.085 1.984 2.211 . 0 0 "[ . 1 . 2]" 1
433 1 53 LYS H 1 53 LYS HB3 2.845 . 3.890 3.498 2.551 3.778 . 0 0 "[ . 1 . 2]" 1
434 1 53 LYS H 1 53 LYS HG2 3.455 . 5.110 3.799 2.339 4.539 . 0 0 "[ . 1 . 2]" 1
435 1 53 LYS H 1 53 LYS HG3 3.455 . 5.110 3.341 2.702 4.678 . 0 0 "[ . 1 . 2]" 1
436 1 70 ARG H 1 71 ALA H 2.580 . 3.360 2.612 2.400 2.768 . 0 0 "[ . 1 . 2]" 1
437 1 71 ALA H 1 72 GLN H 3.000 . 4.200 3.964 3.764 4.173 . 0 0 "[ . 1 . 2]" 1
438 1 68 THR MG 1 71 ALA H 2.740 . 3.680 2.514 1.978 3.705 0.025 5 0 "[ . 1 . 2]" 1
439 1 71 ALA H 1 71 ALA MB 2.460 . 3.120 2.714 2.473 2.844 . 0 0 "[ . 1 . 2]" 1
440 1 70 ARG HB3 1 71 ALA H 2.930 . 4.060 3.565 2.247 4.062 0.002 9 0 "[ . 1 . 2]" 1
441 1 94 LEU H 1 94 LEU HB2 2.810 . 3.820 2.543 2.393 2.664 . 0 0 "[ . 1 . 2]" 1
442 1 94 LEU H 1 94 LEU MD2 2.985 . 4.170 3.075 2.925 3.184 . 0 0 "[ . 1 . 2]" 1
443 1 94 LEU H 1 94 LEU MD1 2.855 . 3.910 3.759 3.674 3.817 . 0 0 "[ . 1 . 2]" 1
444 1 93 ARG HA 1 94 LEU H 2.575 . 3.350 2.480 2.378 2.590 . 0 0 "[ . 1 . 2]" 1
445 1 94 LEU H 1 94 LEU HG 2.605 . 3.410 2.327 2.191 2.442 . 0 0 "[ . 1 . 2]" 1
446 1 94 LEU H 1 94 LEU HB3 2.790 . 3.780 3.602 3.541 3.625 . 0 0 "[ . 1 . 2]" 1
447 1 93 ARG HB2 1 94 LEU H 2.830 . 3.860 2.400 2.160 3.895 0.035 6 0 "[ . 1 . 2]" 1
448 1 37 TYR H 1 57 ILE MG 3.130 . 4.460 3.794 3.511 4.201 . 0 0 "[ . 1 . 2]" 1
449 1 37 TYR H 1 37 TYR QE 3.490 . 5.180 5.027 4.609 5.212 0.032 17 0 "[ . 1 . 2]" 1
450 1 36 ALA HA 1 37 TYR H 2.525 . 3.250 2.657 2.526 2.998 . 0 0 "[ . 1 . 2]" 1
451 1 37 TYR H 1 37 TYR QD 2.920 . 4.040 3.051 2.769 3.271 . 0 0 "[ . 1 . 2]" 1
452 1 36 ALA H 1 37 TYR H 3.250 . 4.700 4.357 4.138 4.459 . 0 0 "[ . 1 . 2]" 1
453 1 36 ALA MB 1 37 TYR H 2.495 . 3.190 2.026 1.943 2.122 . 0 0 "[ . 1 . 2]" 1
454 1 68 THR H 1 68 THR MG 2.765 . 3.730 2.248 1.976 2.876 . 0 0 "[ . 1 . 2]" 1
455 1 67 ILE H 1 68 THR H 2.665 . 3.530 2.089 1.969 2.315 . 0 0 "[ . 1 . 2]" 1
456 1 67 ILE MG 1 68 THR H 2.810 . 3.820 3.160 2.929 3.774 . 0 0 "[ . 1 . 2]" 1
457 1 67 ILE HB 1 68 THR H 2.700 . 3.600 2.955 2.286 3.162 . 0 0 "[ . 1 . 2]" 1
458 1 77 GLN QB 1 78 GLN H 2.775 . 3.750 2.876 2.703 3.112 . 0 0 "[ . 1 . 2]" 1
459 1 77 GLN H 1 78 GLN H 2.790 . 3.780 2.626 2.516 2.749 . 0 0 "[ . 1 . 2]" 1
460 1 78 GLN H 1 78 GLN HG2 2.555 . 3.310 2.407 2.314 2.482 . 0 0 "[ . 1 . 2]" 1
461 1 78 GLN H 1 78 GLN HB2 2.435 . 3.070 2.553 2.450 2.643 . 0 0 "[ . 1 . 2]" 1
462 1 78 GLN H 1 78 GLN HG3 2.870 . 3.940 3.808 3.731 3.866 . 0 0 "[ . 1 . 2]" 1
463 1 81 GLN H 1 81 GLN HB2 2.610 . 3.420 3.228 2.680 3.497 0.077 5 0 "[ . 1 . 2]" 1
464 1 77 GLN HE21 1 81 GLN H 3.095 . 4.390 3.951 3.427 4.305 . 0 0 "[ . 1 . 2]" 1
465 1 83 TYR QE 1 90 LEU H 3.410 . 5.020 4.504 3.725 5.032 0.012 3 0 "[ . 1 . 2]" 1
466 1 80 VAL HB 1 81 GLN H 2.940 . 4.080 3.953 3.844 4.080 0.000 7 0 "[ . 1 . 2]" 1
467 1 80 VAL H 1 81 GLN H 2.465 . 3.130 2.471 2.192 2.635 . 0 0 "[ . 1 . 2]" 1
468 1 81 GLN H 1 81 GLN HB3 2.560 . 3.320 2.049 1.929 2.186 . 0 0 "[ . 1 . 2]" 1
469 1 64 GLY H 1 64 GLY HA3 2.365 . 2.930 2.443 2.345 2.506 . 0 0 "[ . 1 . 2]" 1
470 1 63 GLY HA2 1 64 GLY H 2.540 . 3.280 3.090 2.916 3.244 . 0 0 "[ . 1 . 2]" 1
471 1 60 LEU HB2 1 64 GLY H 2.585 . 3.370 2.555 2.298 2.662 . 0 0 "[ . 1 . 2]" 1
472 1 63 GLY HA3 1 64 GLY H 2.270 . 2.740 2.146 2.109 2.206 . 0 0 "[ . 1 . 2]" 1
473 1 90 LEU H 1 90 LEU MD2 2.695 . 3.590 3.213 3.026 3.385 . 0 0 "[ . 1 . 2]" 1
474 1 89 GLY H 1 90 LEU H 2.675 . 3.550 2.256 2.109 2.402 . 0 0 "[ . 1 . 2]" 1
475 1 90 LEU H 1 90 LEU HG 2.475 . 3.150 2.466 2.318 2.632 . 0 0 "[ . 1 . 2]" 1
476 1 90 LEU H 1 90 LEU HB2 2.615 . 3.430 2.574 2.525 2.617 . 0 0 "[ . 1 . 2]" 1
477 1 90 LEU H 1 90 LEU HB3 2.765 . 3.730 3.650 3.620 3.704 . 0 0 "[ . 1 . 2]" 1
478 1 90 LEU H 1 91 CYS H 3.230 . 4.660 4.559 4.506 4.623 . 0 0 "[ . 1 . 2]" 1
479 1 56 LYS H 1 57 ILE H 3.245 . 4.690 4.396 4.252 4.522 . 0 0 "[ . 1 . 2]" 1
480 1 55 TYR HA 1 56 LYS H 2.460 . 3.120 2.157 1.977 2.411 . 0 0 "[ . 1 . 2]" 1
481 1 55 TYR H 1 56 LYS H 3.175 . 4.550 4.397 4.225 4.554 0.004 18 0 "[ . 1 . 2]" 1
482 1 55 TYR HB3 1 56 LYS H 2.965 . 4.130 3.096 2.365 3.433 . 0 0 "[ . 1 . 2]" 1
483 1 55 TYR HB2 1 56 LYS H 2.965 . 4.130 4.045 3.386 4.194 0.064 7 0 "[ . 1 . 2]" 1
484 1 9 LYS H 1 9 LYS QB 2.360 . 2.920 2.472 2.318 2.626 . 0 0 "[ . 1 . 2]" 1
485 1 9 LYS H 1 9 LYS HG2 2.805 . 3.810 2.993 2.044 3.818 0.008 11 0 "[ . 1 . 2]" 1
486 1 9 LYS H 1 9 LYS HG3 2.805 . 3.810 2.905 2.270 3.875 0.065 2 0 "[ . 1 . 2]" 1
487 1 74 GLU H 1 78 GLN HG3 2.540 . 3.280 2.988 2.602 3.239 . 0 0 "[ . 1 . 2]" 1
488 1 74 GLU H 1 75 THR H 2.560 . 3.320 2.630 2.479 2.774 . 0 0 "[ . 1 . 2]" 1
489 1 73 PHE HB2 1 74 GLU H 2.775 . 3.750 3.711 3.410 3.773 0.023 14 0 "[ . 1 . 2]" 1
490 1 74 GLU H 1 78 GLN HG2 3.045 . 4.290 4.193 3.855 4.354 0.064 19 0 "[ . 1 . 2]" 1
491 1 74 GLU H 1 74 GLU HB2 2.450 . 3.100 2.483 2.348 2.626 . 0 0 "[ . 1 . 2]" 1
492 1 74 GLU H 1 74 GLU HB3 2.550 . 3.300 2.488 2.377 2.589 . 0 0 "[ . 1 . 2]" 1
493 1 73 PHE HA 1 74 GLU H 2.405 . 3.010 2.296 2.139 2.566 . 0 0 "[ . 1 . 2]" 1
494 1 73 PHE HB3 1 74 GLU H 2.775 . 3.750 2.448 2.070 2.609 . 0 0 "[ . 1 . 2]" 1
495 1 74 GLU H 1 78 GLN HB2 2.445 . 3.090 3.119 3.092 3.178 0.088 11 0 "[ . 1 . 2]" 1
496 1 7 GLY HA3 1 8 ARG H 2.505 . 3.210 2.647 2.393 2.911 . 0 0 "[ . 1 . 2]" 1
497 1 8 ARG H 1 8 ARG HB2 2.775 . 3.750 3.580 2.587 3.693 . 0 0 "[ . 1 . 2]" 1
498 1 7 GLY HA2 1 8 ARG H 2.505 . 3.210 2.398 2.205 2.534 . 0 0 "[ . 1 . 2]" 1
499 1 8 ARG H 1 8 ARG HD2 3.640 . 5.480 4.584 3.778 5.041 . 0 0 "[ . 1 . 2]" 1
500 1 8 ARG H 1 8 ARG HD3 3.640 . 5.480 4.448 3.193 4.920 . 0 0 "[ . 1 . 2]" 1
501 1 8 ARG H 1 8 ARG HB3 2.775 . 3.750 2.610 2.451 2.835 . 0 0 "[ . 1 . 2]" 1
502 1 7 GLY H 1 8 ARG H 3.325 . 4.850 4.465 4.325 4.539 . 0 0 "[ . 1 . 2]" 1
503 1 69 THR HB 1 70 ARG H 2.890 . 3.980 3.987 3.803 4.067 0.087 5 0 "[ . 1 . 2]" 1
504 1 69 THR H 1 70 ARG H 3.465 . 5.130 2.500 2.234 2.750 . 0 0 "[ . 1 . 2]" 1
505 1 70 ARG H 1 70 ARG HB2 2.740 . 3.680 3.179 2.118 3.680 0.000 9 0 "[ . 1 . 2]" 1
506 1 70 ARG H 1 70 ARG HD2 3.650 . 5.500 4.581 4.004 5.576 0.076 1 0 "[ . 1 . 2]" 1
507 1 70 ARG H 1 70 ARG HD3 3.650 . 5.500 4.721 4.039 5.590 0.090 3 0 "[ . 1 . 2]" 1
508 1 70 ARG H 1 70 ARG HG2 2.935 . 4.070 3.079 2.337 4.161 0.091 1 0 "[ . 1 . 2]" 1
509 1 70 ARG H 1 70 ARG HG3 2.935 . 4.070 3.513 1.874 4.167 0.097 5 0 "[ . 1 . 2]" 1
510 1 70 ARG H 1 70 ARG HB3 2.740 . 3.680 2.498 2.146 3.624 . 0 0 "[ . 1 . 2]" 1
511 1 78 GLN H 1 78 GLN HE22 3.310 . 4.820 4.697 4.497 4.788 . 0 0 "[ . 1 . 2]" 1
512 1 78 GLN HE22 1 78 GLN HG2 2.700 . 3.600 3.441 3.417 3.498 . 0 0 "[ . 1 . 2]" 1
513 1 78 GLN HB3 1 78 GLN HE22 3.170 . 4.540 4.328 4.258 4.414 . 0 0 "[ . 1 . 2]" 1
514 1 69 THR H 1 69 THR MG 2.970 . 4.140 2.570 2.111 2.933 . 0 0 "[ . 1 . 2]" 1
515 1 39 LEU H 1 40 SER H 3.215 . 4.630 4.250 4.120 4.480 . 0 0 "[ . 1 . 2]" 1
516 1 38 SER HB2 1 39 LEU H 3.210 . 4.620 4.310 4.118 4.400 . 0 0 "[ . 1 . 2]" 1
517 1 39 LEU H 1 39 LEU HB2 2.840 . 3.880 2.722 2.645 2.796 . 0 0 "[ . 1 . 2]" 1
518 1 38 SER HB3 1 39 LEU H 3.210 . 4.620 3.796 3.372 4.419 . 0 0 "[ . 1 . 2]" 1
519 1 38 SER HA 1 39 LEU H 2.500 . 3.200 2.096 2.050 2.155 . 0 0 "[ . 1 . 2]" 1
520 1 39 LEU H 1 39 LEU HB3 2.960 . 4.120 2.392 2.330 2.475 . 0 0 "[ . 1 . 2]" 1
521 1 39 LEU H 1 39 LEU HG 3.275 . 4.750 4.401 4.361 4.461 . 0 0 "[ . 1 . 2]" 1
522 1 39 LEU H 1 57 ILE HG13 2.920 . 4.040 2.507 2.202 2.937 . 0 0 "[ . 1 . 2]" 1
523 1 39 LEU H 1 57 ILE MD 2.985 . 4.170 2.932 2.606 3.330 . 0 0 "[ . 1 . 2]" 1
524 1 57 ILE H 1 57 ILE MG 2.870 . 3.940 3.773 3.686 3.807 . 0 0 "[ . 1 . 2]" 1
525 1 56 LYS HB2 1 57 ILE H 3.315 . 4.830 3.818 2.891 4.351 . 0 0 "[ . 1 . 2]" 1
526 1 56 LYS HB3 1 57 ILE H 3.315 . 4.830 3.838 3.157 4.418 . 0 0 "[ . 1 . 2]" 1
527 1 56 LYS HG2 1 57 ILE H 3.525 . 5.250 4.641 3.310 5.331 0.081 7 0 "[ . 1 . 2]" 1
528 1 56 LYS HG3 1 57 ILE H 3.525 . 5.250 4.505 3.076 5.313 0.063 6 0 "[ . 1 . 2]" 1
529 1 57 ILE H 1 58 ARG H 3.435 . 5.070 4.212 4.034 4.441 . 0 0 "[ . 1 . 2]" 1
530 1 57 ILE H 1 57 ILE HB 2.590 . 3.380 2.533 2.312 2.591 . 0 0 "[ . 1 . 2]" 1
531 1 57 ILE H 1 57 ILE HG13 2.825 . 3.850 2.333 2.108 2.504 . 0 0 "[ . 1 . 2]" 1
532 1 56 LYS HA 1 57 ILE H 2.500 . 3.200 2.076 2.002 2.157 . 0 0 "[ . 1 . 2]" 1
533 1 24 THR HA 1 25 PHE H 2.575 . 3.350 2.232 2.154 2.339 . 0 0 "[ . 1 . 2]" 1
534 1 24 THR HB 1 25 PHE H 3.020 . 4.240 4.057 3.791 4.214 . 0 0 "[ . 1 . 2]" 1
535 1 25 PHE H 1 42 ARG H 3.650 . 5.500 4.822 4.706 4.974 . 0 0 "[ . 1 . 2]" 1
536 1 10 ASP H 1 11 ALA H 2.490 . 3.180 2.489 2.282 2.646 . 0 0 "[ . 1 . 2]" 1
537 1 10 ASP HB2 1 11 ALA H 2.715 . 3.630 2.953 2.341 3.715 0.085 5 0 "[ . 1 . 2]" 1
538 1 10 ASP HB3 1 11 ALA H 2.780 . 3.760 3.181 2.145 3.754 . 0 0 "[ . 1 . 2]" 1
539 1 11 ALA H 1 11 ALA MB 2.385 . 2.970 2.235 2.200 2.267 . 0 0 "[ . 1 . 2]" 1
540 1 11 ALA H 1 12 GLU H 2.555 . 3.310 2.742 2.527 2.934 . 0 0 "[ . 1 . 2]" 1
541 1 71 ALA HA 1 72 GLN H 2.215 . 2.630 2.081 1.968 2.175 . 0 0 "[ . 1 . 2]" 1
542 1 72 GLN H 1 72 GLN HB2 2.805 . 3.810 3.687 3.598 3.738 . 0 0 "[ . 1 . 2]" 1
543 1 72 GLN H 1 72 GLN HB3 2.565 . 3.330 3.181 2.939 3.345 0.015 4 0 "[ . 1 . 2]" 1
544 1 72 GLN H 1 72 GLN HG2 2.550 . 3.300 2.398 1.793 2.608 0.007 6 0 "[ . 1 . 2]" 1
545 1 72 GLN H 1 73 PHE H 3.215 . 4.630 4.418 4.290 4.532 . 0 0 "[ . 1 . 2]" 1
546 1 38 SER H 1 38 SER HB2 2.905 . 4.010 2.877 2.489 3.273 . 0 0 "[ . 1 . 2]" 1
547 1 37 TYR HB3 1 38 SER H 2.860 . 3.920 2.492 2.173 2.903 . 0 0 "[ . 1 . 2]" 1
548 1 38 SER H 1 38 SER HB3 2.905 . 4.010 3.384 2.575 3.870 . 0 0 "[ . 1 . 2]" 1
549 1 37 TYR H 1 38 SER H 3.215 . 4.630 4.387 4.324 4.433 . 0 0 "[ . 1 . 2]" 1
550 1 37 TYR HA 1 38 SER H 2.550 . 3.300 2.368 2.209 2.519 . 0 0 "[ . 1 . 2]" 1
551 1 28 ARG HG2 1 38 SER H 3.125 . 4.450 3.333 2.672 3.660 . 0 0 "[ . 1 . 2]" 1
552 1 37 TYR HB2 1 38 SER H 2.860 . 3.920 3.655 3.460 3.912 . 0 0 "[ . 1 . 2]" 1
553 1 81 GLN HA 1 84 SER H 2.995 . 4.190 3.510 3.367 3.666 . 0 0 "[ . 1 . 2]" 1
554 1 83 TYR H 1 84 SER H 2.430 . 3.060 2.566 2.463 2.707 . 0 0 "[ . 1 . 2]" 1
555 1 83 TYR HB2 1 84 SER H 3.495 . 5.190 3.491 3.340 3.844 . 0 0 "[ . 1 . 2]" 1
556 1 4 GLY HA2 1 5 LYS H 2.650 . 3.500 2.680 2.087 3.166 . 0 0 "[ . 1 . 2]" 1
557 1 4 GLY HA3 1 5 LYS H 2.650 . 3.500 2.476 2.185 3.466 . 0 0 "[ . 1 . 2]" 1
558 1 5 LYS H 1 5 LYS HB2 2.680 . 3.560 2.784 2.400 3.414 . 0 0 "[ . 1 . 2]" 1
559 1 5 LYS H 1 5 LYS HG3 3.290 . 4.780 4.544 4.205 4.740 . 0 0 "[ . 1 . 2]" 1
560 1 5 LYS H 1 5 LYS HB3 2.680 . 3.560 2.555 2.376 2.923 . 0 0 "[ . 1 . 2]" 1
561 1 5 LYS H 1 5 LYS HG2 3.290 . 4.780 4.436 4.323 4.625 . 0 0 "[ . 1 . 2]" 1
562 1 2 TYR HA 1 3 PHE H 2.665 . 3.530 2.009 1.785 2.185 0.015 14 0 "[ . 1 . 2]" 1
563 1 3 PHE H 1 3 PHE HB2 2.965 . 4.130 2.578 2.128 3.855 . 0 0 "[ . 1 . 2]" 1
564 1 3 PHE H 1 4 GLY H 2.850 . 3.900 2.461 2.092 2.826 . 0 0 "[ . 1 . 2]" 1
565 1 3 PHE H 1 3 PHE HB3 2.965 . 4.130 3.554 3.022 3.800 . 0 0 "[ . 1 . 2]" 1
566 1 94 LEU HA 1 95 VAL H 2.650 . 3.500 2.135 2.062 2.203 . 0 0 "[ . 1 . 2]" 1
567 1 94 LEU HB2 1 95 VAL H 3.225 . 4.650 4.225 4.026 4.395 . 0 0 "[ . 1 . 2]" 1
568 1 94 LEU MD2 1 95 VAL H 3.380 . 4.960 3.879 3.730 4.100 . 0 0 "[ . 1 . 2]" 1
569 1 94 LEU H 1 95 VAL H 3.375 . 4.950 4.325 4.075 4.469 . 0 0 "[ . 1 . 2]" 1
570 1 95 VAL H 1 95 VAL MG1 2.965 . 4.130 3.384 2.171 3.819 . 0 0 "[ . 1 . 2]" 1
571 1 94 LEU HB3 1 95 VAL H 2.860 . 3.920 3.559 3.184 3.956 0.036 6 0 "[ . 1 . 2]" 1
572 1 95 VAL H 1 96 VAL H 2.905 . 4.010 2.400 2.145 2.634 . 0 0 "[ . 1 . 2]" 1
573 1 95 VAL H 1 95 VAL HB 2.800 . 3.800 2.563 2.416 2.924 . 0 0 "[ . 1 . 2]" 1
574 1 81 GLN H 1 81 GLN HE21 3.350 . 4.900 3.996 3.553 4.530 . 0 0 "[ . 1 . 2]" 1
575 1 81 GLN HB2 1 81 GLN HE21 3.020 . 4.240 3.163 2.471 3.974 . 0 0 "[ . 1 . 2]" 1
576 1 81 GLN HE21 1 81 GLN HG2 2.540 . 3.280 2.569 2.093 3.006 . 0 0 "[ . 1 . 2]" 1
577 1 66 TYR H 1 67 ILE H 3.340 . 4.880 4.159 4.116 4.208 . 0 0 "[ . 1 . 2]" 1
578 1 65 TYR HB3 1 66 TYR H 2.975 . 4.150 2.834 2.681 3.006 . 0 0 "[ . 1 . 2]" 1
579 1 66 TYR H 1 66 TYR QD 2.855 . 3.910 2.628 2.323 3.104 . 0 0 "[ . 1 . 2]" 1
580 1 65 TYR HA 1 66 TYR H 2.460 . 3.120 2.253 2.210 2.326 . 0 0 "[ . 1 . 2]" 1
581 1 66 TYR H 1 66 TYR QE 3.425 . 5.050 4.351 4.205 4.653 . 0 0 "[ . 1 . 2]" 1
582 1 85 GLU H 1 85 GLU HG3 2.785 . 3.770 2.792 2.225 3.823 0.053 2 0 "[ . 1 . 2]" 1
583 1 84 SER H 1 85 GLU H 2.320 . 2.840 2.343 2.189 2.492 . 0 0 "[ . 1 . 2]" 1
584 1 85 GLU H 1 85 GLU HG2 2.785 . 3.770 3.283 2.277 3.802 0.032 5 0 "[ . 1 . 2]" 1
585 1 84 SER HB3 1 85 GLU H 3.035 . 4.270 3.830 3.008 4.283 0.013 6 0 "[ . 1 . 2]" 1
586 1 84 SER HB2 1 85 GLU H 3.035 . 4.270 3.467 2.780 4.249 . 0 0 "[ . 1 . 2]" 1
587 1 85 GLU H 1 85 GLU HB2 2.385 . 2.970 2.509 2.370 2.681 . 0 0 "[ . 1 . 2]" 1
588 1 85 GLU H 1 86 ARG H 2.335 . 2.870 2.270 2.103 2.430 . 0 0 "[ . 1 . 2]" 1
589 1 83 TYR HA 1 85 GLU H 2.935 . 4.070 3.456 2.930 3.878 . 0 0 "[ . 1 . 2]" 1
590 1 9 LYS H 1 10 ASP H 2.430 . 3.060 2.469 2.220 2.679 . 0 0 "[ . 1 . 2]" 1
591 1 10 ASP H 1 10 ASP HB2 2.435 . 3.070 2.424 2.319 2.559 . 0 0 "[ . 1 . 2]" 1
592 1 10 ASP H 1 10 ASP HB3 2.700 . 3.600 3.253 2.520 3.619 0.019 20 0 "[ . 1 . 2]" 1
593 1 9 LYS QB 1 10 ASP H 2.490 . 3.180 2.983 2.652 3.300 0.120 18 0 "[ . 1 . 2]" 1
594 1 28 ARG HB2 1 29 GLU H 2.835 . 3.870 2.450 2.112 2.768 . 0 0 "[ . 1 . 2]" 1
595 1 28 ARG HB3 1 29 GLU H 2.835 . 3.870 3.818 3.551 3.940 0.070 14 0 "[ . 1 . 2]" 1
596 1 5 LYS HA 1 29 GLU H 2.735 . 3.670 2.513 2.154 3.000 . 0 0 "[ . 1 . 2]" 1
597 1 29 GLU H 1 29 GLU HB2 2.640 . 3.480 2.339 2.215 2.469 . 0 0 "[ . 1 . 2]" 1
598 1 28 ARG HA 1 29 GLU H 2.550 . 3.300 2.365 2.056 2.517 . 0 0 "[ . 1 . 2]" 1
599 1 28 ARG HG2 1 29 GLU H 2.930 . 4.060 4.135 4.072 4.185 0.125 14 0 "[ . 1 . 2]" 1
600 1 28 ARG H 1 29 GLU H 3.180 . 4.560 4.396 4.256 4.476 . 0 0 "[ . 1 . 2]" 1
601 1 29 GLU H 1 29 GLU HB3 2.705 . 3.610 3.547 2.900 3.641 0.031 14 0 "[ . 1 . 2]" 1
602 1 29 GLU H 1 29 GLU HG2 3.245 . 4.690 3.732 2.537 4.615 . 0 0 "[ . 1 . 2]" 1
603 1 29 GLU H 1 29 GLU HG3 3.245 . 4.690 2.868 2.441 4.345 . 0 0 "[ . 1 . 2]" 1
604 1 77 GLN H 1 77 GLN HG3 3.215 . 4.630 4.528 4.466 4.595 . 0 0 "[ . 1 . 2]" 1
605 1 77 GLN H 1 77 GLN QB 2.715 . 3.550 2.188 2.141 2.235 . 0 0 "[ . 1 . 2]" 1
606 1 77 GLN H 1 78 GLN HG2 3.110 . 4.420 4.309 4.123 4.435 0.015 17 0 "[ . 1 . 2]" 1
607 1 77 GLN H 1 77 GLN HG2 3.215 . 4.630 4.445 4.379 4.510 . 0 0 "[ . 1 . 2]" 1
608 1 76 LEU QB 1 77 GLN H 3.065 . 3.810 2.683 2.496 2.928 . 0 0 "[ . 1 . 2]" 1
609 1 86 ARG HA 1 87 ALA H 2.365 . 2.930 2.300 2.141 2.420 . 0 0 "[ . 1 . 2]" 1
610 1 86 ARG H 1 87 ALA H 3.105 . 4.410 4.305 4.220 4.380 . 0 0 "[ . 1 . 2]" 1
611 1 87 ALA H 1 87 ALA MB 2.390 . 2.980 2.233 2.205 2.252 . 0 0 "[ . 1 . 2]" 1
612 1 87 ALA H 1 93 ARG HB3 2.635 . 3.470 2.838 2.367 3.640 0.170 6 0 "[ . 1 . 2]" 1
613 1 48 LYS HB3 1 49 GLY H 3.250 . 4.700 4.428 4.072 4.504 . 0 0 "[ . 1 . 2]" 1
614 1 45 ASP HB2 1 49 GLY H 3.330 . 4.860 4.303 2.399 4.904 0.044 18 0 "[ . 1 . 2]" 1
615 1 48 LYS H 1 49 GLY H 2.490 . 3.180 2.638 2.364 2.817 . 0 0 "[ . 1 . 2]" 1
616 1 34 LYS HA 1 35 GLY H 2.475 . 3.150 2.196 2.113 2.274 . 0 0 "[ . 1 . 2]" 1
617 1 34 LYS HB2 1 35 GLY H 3.425 . 5.050 4.494 4.396 4.569 . 0 0 "[ . 1 . 2]" 1
618 1 34 LYS HB3 1 35 GLY H 3.580 . 5.360 4.347 4.227 4.447 . 0 0 "[ . 1 . 2]" 1
619 1 29 GLU HA 1 30 SER H 2.505 . 3.210 2.209 2.123 2.312 . 0 0 "[ . 1 . 2]" 1
620 1 29 GLU H 1 30 SER H 3.240 . 4.680 4.552 4.484 4.657 . 0 0 "[ . 1 . 2]" 1
621 1 30 SER H 1 36 ALA MB 3.085 . 4.370 3.998 3.762 4.359 . 0 0 "[ . 1 . 2]" 1
622 1 30 SER H 1 31 GLU H 3.330 . 4.860 4.306 3.903 4.488 . 0 0 "[ . 1 . 2]" 1
623 1 30 SER H 1 30 SER HB2 2.725 . 3.650 2.606 2.237 3.630 . 0 0 "[ . 1 . 2]" 1
624 1 29 GLU HB3 1 30 SER H 2.845 . 3.890 3.017 2.673 3.548 . 0 0 "[ . 1 . 2]" 1
625 1 30 SER H 1 30 SER HB3 2.725 . 3.650 3.290 2.520 3.669 0.019 20 0 "[ . 1 . 2]" 1
626 1 39 LEU HG 1 55 TYR H 3.335 . 4.870 4.116 3.877 4.411 . 0 0 "[ . 1 . 2]" 1
627 1 54 HIS H 1 55 TYR H 3.165 . 4.530 4.273 4.158 4.375 . 0 0 "[ . 1 . 2]" 1
628 1 55 TYR H 1 55 TYR HB3 2.810 . 3.820 3.665 3.597 3.766 . 0 0 "[ . 1 . 2]" 1
629 1 54 HIS HA 1 55 TYR H 2.440 . 3.080 2.046 1.990 2.146 . 0 0 "[ . 1 . 2]" 1
630 1 55 TYR H 1 55 TYR QD 2.780 . 3.760 2.548 2.048 3.008 . 0 0 "[ . 1 . 2]" 1
631 1 55 TYR H 1 55 TYR HB2 2.810 . 3.820 2.500 2.426 2.655 . 0 0 "[ . 1 . 2]" 1
632 1 27 ILE HA 1 28 ARG H 2.640 . 3.480 2.089 1.990 2.254 . 0 0 "[ . 1 . 2]" 1
633 1 28 ARG H 1 28 ARG HD3 3.280 . 4.760 3.968 3.785 4.189 . 0 0 "[ . 1 . 2]" 1
634 1 28 ARG H 1 28 ARG HD2 3.280 . 4.760 4.781 4.703 4.828 0.068 13 0 "[ . 1 . 2]" 1
635 1 28 ARG H 1 28 ARG HG3 2.945 . 4.090 3.540 3.256 3.802 . 0 0 "[ . 1 . 2]" 1
636 1 28 ARG H 1 28 ARG HG2 2.790 . 3.780 2.233 1.968 2.403 . 0 0 "[ . 1 . 2]" 1
637 1 12 GLU HB2 1 13 ARG H 2.510 . 3.220 2.567 2.228 2.888 . 0 0 "[ . 1 . 2]" 1
638 1 13 ARG H 1 13 ARG HG2 2.665 . 3.530 2.317 2.175 2.503 . 0 0 "[ . 1 . 2]" 1
639 1 13 ARG H 1 13 ARG HG3 2.800 . 3.800 3.484 3.360 3.744 . 0 0 "[ . 1 . 2]" 1
640 1 12 GLU HB3 1 13 ARG H 2.605 . 3.410 3.426 3.231 3.523 0.113 11 0 "[ . 1 . 2]" 1
641 1 13 ARG H 1 13 ARG HD2 3.650 . 5.500 4.543 3.586 4.972 . 0 0 "[ . 1 . 2]" 1
642 1 13 ARG H 1 13 ARG HD3 3.650 . 5.500 4.451 3.955 4.906 . 0 0 "[ . 1 . 2]" 1
643 1 13 ARG H 1 13 ARG QB 2.260 . 2.720 2.477 2.389 2.592 . 0 0 "[ . 1 . 2]" 1
644 1 12 GLU H 1 13 ARG H 2.575 . 3.350 2.835 2.667 2.969 . 0 0 "[ . 1 . 2]" 1
645 1 88 ALA H 1 88 ALA HA 2.315 . 2.830 2.266 2.245 2.283 . 0 0 "[ . 1 . 2]" 1
646 1 88 ALA H 1 89 GLY H 2.475 . 3.150 2.789 2.696 2.967 . 0 0 "[ . 1 . 2]" 1
647 1 87 ALA H 1 88 ALA H 2.590 . 3.380 2.575 2.399 3.115 . 0 0 "[ . 1 . 2]" 1
648 1 86 ARG HB3 1 88 ALA H 3.195 . 4.590 4.258 2.798 4.645 0.055 6 0 "[ . 1 . 2]" 1
649 1 88 ALA H 1 88 ALA MB 2.390 . 2.980 2.843 2.760 2.921 . 0 0 "[ . 1 . 2]" 1
650 1 87 ALA MB 1 88 ALA H 2.560 . 3.320 2.598 2.415 2.683 . 0 0 "[ . 1 . 2]" 1
651 1 42 ARG HA 1 43 ASP H 2.505 . 3.210 2.142 1.964 2.228 . 0 0 "[ . 1 . 2]" 1
652 1 43 ASP H 1 43 ASP HB3 2.915 . 4.030 2.614 2.181 3.591 . 0 0 "[ . 1 . 2]" 1
653 1 42 ARG HB3 1 43 ASP H 3.210 . 4.620 4.346 4.225 4.455 . 0 0 "[ . 1 . 2]" 1
654 1 43 ASP H 1 43 ASP HB2 2.915 . 4.030 2.925 2.352 3.940 . 0 0 "[ . 1 . 2]" 1
655 1 54 HIS H 1 54 HIS HD2 2.920 . 4.040 3.112 2.357 4.123 0.083 17 0 "[ . 1 . 2]" 1
656 1 53 LYS HA 1 54 HIS H 2.390 . 2.980 2.179 2.070 2.350 . 0 0 "[ . 1 . 2]" 1
657 1 53 LYS HB2 1 54 HIS H 3.060 . 4.320 4.038 2.549 4.329 0.009 18 0 "[ . 1 . 2]" 1
658 1 53 LYS HB3 1 54 HIS H 3.060 . 4.320 3.416 2.772 4.090 . 0 0 "[ . 1 . 2]" 1
659 1 16 LEU MD1 1 51 HIS H 3.310 . 4.820 4.600 3.637 4.889 0.069 4 0 "[ . 1 . 2]" 1
660 1 50 ASP HA 1 51 HIS H 2.415 . 3.030 2.208 2.038 2.311 . 0 0 "[ . 1 . 2]" 1
661 1 50 ASP HB2 1 51 HIS H 3.270 . 4.740 4.550 4.457 4.635 . 0 0 "[ . 1 . 2]" 1
662 1 50 ASP H 1 51 HIS H 2.990 . 4.180 3.060 2.750 3.603 . 0 0 "[ . 1 . 2]" 1
663 1 52 VAL H 1 52 VAL HB 2.900 . 4.000 2.642 2.411 3.647 . 0 0 "[ . 1 . 2]" 1
664 1 51 HIS H 1 52 VAL H 3.105 . 4.410 4.288 4.021 4.387 . 0 0 "[ . 1 . 2]" 1
665 1 52 VAL H 1 52 VAL MG2 2.925 . 4.050 2.689 1.933 2.980 . 0 0 "[ . 1 . 2]" 1
666 1 51 HIS HA 1 52 VAL H 2.525 . 3.250 2.358 1.976 2.755 . 0 0 "[ . 1 . 2]" 1
667 1 52 VAL H 1 52 VAL MG1 2.925 . 4.050 3.778 2.739 3.912 . 0 0 "[ . 1 . 2]" 1
668 1 51 HIS HB3 1 52 VAL H 2.935 . 4.070 3.747 3.442 4.129 0.059 5 0 "[ . 1 . 2]" 1
669 1 6 LEU H 1 6 LEU MD2 2.900 . 4.000 1.953 1.774 2.461 0.026 9 0 "[ . 1 . 2]" 1
670 1 6 LEU H 1 6 LEU HB3 2.615 . 3.430 3.213 3.018 3.477 0.047 14 0 "[ . 1 . 2]" 1
671 1 5 LYS H 1 6 LEU H 2.970 . 4.140 3.977 3.240 4.190 0.050 20 0 "[ . 1 . 2]" 1
672 1 6 LEU H 1 6 LEU HG 2.935 . 4.070 3.156 2.872 4.121 0.051 11 0 "[ . 1 . 2]" 1
673 1 6 LEU H 1 6 LEU MD1 2.900 . 4.000 3.999 1.968 4.195 0.195 12 0 "[ . 1 . 2]" 1
674 1 5 LYS HA 1 6 LEU H 2.320 . 2.840 2.197 2.013 2.330 . 0 0 "[ . 1 . 2]" 1
675 1 23 GLY H 1 24 THR H 2.760 . 3.720 2.231 2.083 2.384 . 0 0 "[ . 1 . 2]" 1
676 1 24 THR H 1 25 PHE H 3.305 . 4.810 4.547 4.465 4.618 . 0 0 "[ . 1 . 2]" 1
677 1 24 THR H 1 24 THR HB 2.605 . 3.410 2.559 2.409 2.779 . 0 0 "[ . 1 . 2]" 1
678 1 57 ILE HA 1 58 ARG H 2.495 . 3.190 2.137 2.079 2.221 . 0 0 "[ . 1 . 2]" 1
679 1 58 ARG H 1 58 ARG HB3 2.730 . 3.660 3.096 2.448 3.680 0.020 5 0 "[ . 1 . 2]" 1
680 1 58 ARG H 1 66 TYR H 2.805 . 3.810 3.265 3.100 3.529 . 0 0 "[ . 1 . 2]" 1
681 1 58 ARG H 1 58 ARG HD2 3.650 . 5.500 4.583 2.436 5.269 . 0 0 "[ . 1 . 2]" 1
682 1 58 ARG H 1 58 ARG HD3 3.650 . 5.500 4.658 2.721 5.373 . 0 0 "[ . 1 . 2]" 1
683 1 57 ILE HB 1 58 ARG H 3.200 . 4.600 4.220 4.061 4.325 . 0 0 "[ . 1 . 2]" 1
684 1 58 ARG H 1 58 ARG HB2 2.730 . 3.660 2.626 2.273 3.653 . 0 0 "[ . 1 . 2]" 1
685 1 35 GLY H 1 36 ALA H 2.555 . 3.310 2.835 2.699 2.943 . 0 0 "[ . 1 . 2]" 1
686 1 36 ALA H 1 36 ALA MB 2.330 . 2.860 2.359 2.307 2.467 . 0 0 "[ . 1 . 2]" 1
687 1 82 HIS HB2 1 83 TYR H 2.885 . 3.970 3.871 3.687 4.006 0.036 6 0 "[ . 1 . 2]" 1
688 1 83 TYR H 1 83 TYR QE 3.595 . 5.390 4.654 4.303 4.813 . 0 0 "[ . 1 . 2]" 1
689 1 83 TYR H 1 83 TYR HB3 2.790 . 3.780 3.633 3.608 3.661 . 0 0 "[ . 1 . 2]" 1
690 1 83 TYR H 1 83 TYR QD 2.750 . 3.700 3.148 2.664 3.386 . 0 0 "[ . 1 . 2]" 1
691 1 83 TYR H 1 83 TYR HB2 2.840 . 3.880 2.505 2.444 2.642 . 0 0 "[ . 1 . 2]" 1
692 1 82 HIS HB3 1 83 TYR H 2.885 . 3.970 2.638 2.397 2.836 . 0 0 "[ . 1 . 2]" 1
693 1 82 HIS H 1 83 TYR H 2.570 . 3.340 2.501 2.356 2.653 . 0 0 "[ . 1 . 2]" 1
694 1 19 GLY H 1 20 ASN H 2.830 . 3.860 2.479 2.049 3.254 . 0 0 "[ . 1 . 2]" 1
695 1 20 ASN H 1 20 ASN HB3 2.890 . 3.980 3.525 3.079 3.773 . 0 0 "[ . 1 . 2]" 1
696 1 20 ASN H 1 20 ASN HB2 2.890 . 3.980 2.994 2.431 3.969 . 0 0 "[ . 1 . 2]" 1
697 1 31 GLU H 1 31 GLU HB3 2.850 . 3.900 3.564 3.400 3.644 . 0 0 "[ . 1 . 2]" 1
698 1 31 GLU H 1 31 GLU HB2 2.850 . 3.900 2.603 2.366 3.242 . 0 0 "[ . 1 . 2]" 1
699 1 31 GLU H 1 31 GLU HG2 2.970 . 4.140 3.525 3.171 3.705 . 0 0 "[ . 1 . 2]" 1
700 1 30 SER HB2 1 31 GLU H 3.450 . 5.100 4.158 3.375 4.457 . 0 0 "[ . 1 . 2]" 1
701 1 31 GLU H 1 31 GLU HG3 2.970 . 4.140 2.283 1.935 2.814 . 0 0 "[ . 1 . 2]" 1
702 1 30 SER HB3 1 31 GLU H 3.450 . 5.100 3.716 3.234 4.362 . 0 0 "[ . 1 . 2]" 1
703 1 30 SER HA 1 31 GLU H 2.595 . 3.390 2.112 2.024 2.199 . 0 0 "[ . 1 . 2]" 1
704 1 16 LEU H 1 17 SER H 2.570 . 3.340 2.634 2.475 2.823 . 0 0 "[ . 1 . 2]" 1
705 1 16 LEU HB2 1 17 SER H 2.930 . 4.060 3.743 3.472 3.982 . 0 0 "[ . 1 . 2]" 1
706 1 17 SER H 1 17 SER HB2 2.710 . 3.620 2.788 2.402 3.639 0.019 14 0 "[ . 1 . 2]" 1
707 1 17 SER H 1 17 SER HB3 2.710 . 3.620 2.896 2.477 3.682 0.062 6 0 "[ . 1 . 2]" 1
708 1 17 SER H 1 18 PHE H 3.305 . 4.810 4.461 3.053 4.629 . 0 0 "[ . 1 . 2]" 1
709 1 98 CYS H 1 98 CYS HB2 2.795 . 3.790 2.551 2.411 2.756 . 0 0 "[ . 1 . 2]" 1
710 1 98 CYS H 1 98 CYS HB3 2.795 . 3.790 2.516 2.430 2.636 . 0 0 "[ . 1 . 2]" 1
711 1 97 PRO HA 1 98 CYS H 2.520 . 3.240 2.241 2.145 2.348 . 0 0 "[ . 1 . 2]" 1
712 1 43 ASP HB3 1 44 TRP H 3.235 . 4.670 3.700 2.298 4.149 . 0 0 "[ . 1 . 2]" 1
713 1 44 TRP H 1 45 ASP H 3.270 . 4.740 4.302 4.103 4.645 . 0 0 "[ . 1 . 2]" 1
714 1 43 ASP HA 1 44 TRP H 2.580 . 3.360 2.350 2.111 2.586 . 0 0 "[ . 1 . 2]" 1
715 1 43 ASP HB2 1 44 TRP H 3.235 . 4.670 3.830 2.302 4.369 . 0 0 "[ . 1 . 2]" 1
716 1 44 TRP H 1 44 TRP HB2 2.715 . 3.630 3.150 2.760 3.286 . 0 0 "[ . 1 . 2]" 1
717 1 95 VAL HB 1 96 VAL H 2.915 . 4.030 2.732 2.163 4.042 0.012 18 0 "[ . 1 . 2]" 1
718 1 62 ASN HB3 1 62 ASN HD21 2.875 . 3.950 2.792 2.190 3.485 . 0 0 "[ . 1 . 2]" 1
719 1 62 ASN HB2 1 62 ASN HD21 2.875 . 3.950 2.704 2.189 3.507 . 0 0 "[ . 1 . 2]" 1
720 1 78 GLN HG2 1 81 GLN HE22 3.455 . 5.110 4.642 4.445 4.828 . 0 0 "[ . 1 . 2]" 1
721 1 78 GLN HE21 1 78 GLN HG2 2.660 . 3.520 2.176 2.125 2.243 . 0 0 "[ . 1 . 2]" 1
722 1 78 GLN HB2 1 78 GLN HE21 3.055 . 4.310 3.885 3.816 3.921 . 0 0 "[ . 1 . 2]" 1
723 1 78 GLN HB3 1 78 GLN HE21 3.180 . 4.560 3.744 3.701 3.801 . 0 0 "[ . 1 . 2]" 1
724 1 48 LYS H 1 48 LYS HB3 2.830 . 3.860 3.678 3.590 3.763 . 0 0 "[ . 1 . 2]" 1
725 1 45 ASP HB2 1 48 LYS H 3.150 . 4.500 3.275 1.770 4.209 0.030 16 0 "[ . 1 . 2]" 1
726 1 48 LYS H 1 48 LYS HB2 2.480 . 3.160 2.613 2.424 2.872 . 0 0 "[ . 1 . 2]" 1
727 1 22 ARG H 1 23 GLY H 3.200 . 4.600 4.610 4.542 4.657 0.057 1 0 "[ . 1 . 2]" 1
728 1 21 PRO HB2 1 22 ARG H 2.510 . 3.220 2.641 2.357 3.192 . 0 0 "[ . 1 . 2]" 1
729 1 21 PRO HB3 1 22 ARG H 2.720 . 3.640 3.575 3.363 3.677 0.037 11 0 "[ . 1 . 2]" 1
730 1 22 ARG H 1 22 ARG HD3 3.075 . 4.350 3.083 1.926 4.309 . 0 0 "[ . 1 . 2]" 1
731 1 21 PRO HA 1 22 ARG H 2.445 . 3.090 2.394 2.170 2.478 . 0 0 "[ . 1 . 2]" 1
732 1 22 ARG H 1 22 ARG HB3 2.710 . 3.620 2.863 2.405 3.631 0.011 4 0 "[ . 1 . 2]" 1
733 1 22 ARG H 1 22 ARG HB2 2.710 . 3.620 3.405 2.407 3.658 0.038 11 0 "[ . 1 . 2]" 1
734 1 22 ARG H 1 22 ARG HD2 3.075 . 4.350 2.923 1.959 4.234 . 0 0 "[ . 1 . 2]" 1
735 1 81 GLN H 1 81 GLN HE22 3.650 . 5.500 5.413 5.258 5.563 0.063 2 0 "[ . 1 . 2]" 1
736 1 81 GLN HB2 1 81 GLN HE22 3.220 . 4.640 4.017 3.631 4.503 . 0 0 "[ . 1 . 2]" 1
737 1 78 GLN HB3 1 81 GLN HE22 3.025 . 4.250 3.871 3.072 4.267 0.017 1 0 "[ . 1 . 2]" 1
738 1 32 THR H 1 32 THR HB 2.925 . 4.050 3.483 3.381 3.606 . 0 0 "[ . 1 . 2]" 1
739 1 31 GLU HB3 1 32 THR H 3.110 . 4.420 4.005 3.536 4.330 . 0 0 "[ . 1 . 2]" 1
740 1 31 GLU HB2 1 32 THR H 3.110 . 4.420 2.959 2.409 3.439 . 0 0 "[ . 1 . 2]" 1
741 1 31 GLU H 1 32 THR H 2.725 . 3.650 2.233 1.936 2.625 . 0 0 "[ . 1 . 2]" 1
742 1 44 TRP HB3 1 45 ASP H 3.065 . 4.330 3.909 3.732 4.131 . 0 0 "[ . 1 . 2]" 1
743 1 44 TRP HA 1 45 ASP H 2.535 . 3.270 2.145 1.998 2.311 . 0 0 "[ . 1 . 2]" 1
744 1 45 ASP H 1 46 ASP H 3.310 . 4.820 4.229 4.136 4.400 . 0 0 "[ . 1 . 2]" 1
745 1 45 ASP H 1 45 ASP HB2 2.980 . 4.160 2.895 2.531 3.197 . 0 0 "[ . 1 . 2]" 1
746 1 45 ASP H 1 49 GLY HA2 2.745 . 3.690 2.027 1.729 3.956 0.266 17 0 "[ . 1 . 2]" 1
747 1 86 ARG H 1 86 ARG HG2 2.870 . 3.940 2.605 2.097 3.949 0.009 3 0 "[ . 1 . 2]" 1
748 1 86 ARG H 1 86 ARG HB2 2.965 . 4.130 3.685 2.643 3.953 . 0 0 "[ . 1 . 2]" 1
749 1 85 GLU HB2 1 86 ARG H 2.540 . 3.280 2.383 1.837 3.020 . 0 0 "[ . 1 . 2]" 1
750 1 86 ARG H 1 86 ARG HG3 2.870 . 3.940 3.218 2.520 3.732 . 0 0 "[ . 1 . 2]" 1
751 1 86 ARG H 1 86 ARG HB3 2.965 . 4.130 3.366 2.997 3.795 . 0 0 "[ . 1 . 2]" 1
752 1 64 GLY H 1 65 TYR H 3.065 . 4.330 4.097 4.013 4.250 . 0 0 "[ . 1 . 2]" 1
753 1 64 GLY HA3 1 65 TYR H 2.535 . 3.270 2.217 2.176 2.303 . 0 0 "[ . 1 . 2]" 1
754 1 65 TYR H 1 65 TYR HB3 2.770 . 3.740 3.684 3.630 3.749 0.009 6 0 "[ . 1 . 2]" 1
755 1 65 TYR H 1 65 TYR QD 2.720 . 3.640 2.524 2.229 3.105 . 0 0 "[ . 1 . 2]" 1
756 1 64 GLY HA2 1 65 TYR H 2.505 . 3.210 2.915 2.759 2.999 . 0 0 "[ . 1 . 2]" 1
757 1 65 TYR H 1 65 TYR HB2 2.770 . 3.740 2.548 2.463 2.654 . 0 0 "[ . 1 . 2]" 1
758 1 45 ASP HB3 1 46 ASP H 2.435 . 3.070 3.038 2.431 3.222 0.152 13 0 "[ . 1 . 2]" 1
759 1 45 ASP HA 1 46 ASP H 2.405 . 3.010 2.448 2.275 2.667 . 0 0 "[ . 1 . 2]" 1
760 1 45 ASP HB2 1 46 ASP H 2.875 . 3.950 3.885 3.546 3.993 0.043 18 0 "[ . 1 . 2]" 1
761 1 6 LEU HB2 1 7 GLY H 2.825 . 3.850 2.101 1.975 2.214 . 0 0 "[ . 1 . 2]" 1
762 1 6 LEU H 1 7 GLY H 3.220 . 4.640 4.332 4.152 4.427 . 0 0 "[ . 1 . 2]" 1
763 1 6 LEU HA 1 7 GLY H 2.370 . 2.940 2.461 2.407 2.525 . 0 0 "[ . 1 . 2]" 1
764 1 1 TRP HE1 1 80 VAL HB 3.640 . 5.480 4.897 3.849 5.498 0.018 7 0 "[ . 1 . 2]" 1
765 1 72 GLN HB3 1 72 GLN HE21 3.185 . 4.570 1.833 1.724 2.501 0.076 19 0 "[ . 1 . 2]" 1
766 1 14 GLN H 1 14 GLN HB2 2.225 . 2.650 2.370 2.277 2.477 . 0 0 "[ . 1 . 2]" 1
767 1 14 GLN H 1 15 LEU H 2.570 . 3.340 2.422 2.267 2.610 . 0 0 "[ . 1 . 2]" 1
768 1 14 GLN H 1 14 GLN HG3 2.925 . 4.050 3.633 2.559 4.005 . 0 0 "[ . 1 . 2]" 1
769 1 33 THR HA 1 34 LYS H 2.600 . 3.400 2.241 2.052 2.458 . 0 0 "[ . 1 . 2]" 1
770 1 34 LYS H 1 35 GLY H 3.485 . 5.170 4.222 4.130 4.310 . 0 0 "[ . 1 . 2]" 1
771 1 34 LYS H 1 36 ALA MB 2.985 . 4.170 4.010 3.820 4.184 0.014 11 0 "[ . 1 . 2]" 1
772 1 34 LYS H 1 34 LYS HB2 2.685 . 3.570 2.404 2.247 2.555 . 0 0 "[ . 1 . 2]" 1
773 1 34 LYS H 1 34 LYS HB3 2.860 . 3.920 2.438 2.303 2.524 . 0 0 "[ . 1 . 2]" 1
774 1 81 GLN H 1 82 HIS H 2.645 . 3.490 2.579 2.489 2.655 . 0 0 "[ . 1 . 2]" 1
775 1 79 LEU HA 1 82 HIS H 3.220 . 4.640 3.689 3.371 4.040 . 0 0 "[ . 1 . 2]" 1
776 1 82 HIS H 1 82 HIS HB2 2.530 . 3.260 2.569 2.350 2.720 . 0 0 "[ . 1 . 2]" 1
777 1 80 VAL HA 1 82 HIS H 3.130 . 4.460 4.003 3.837 4.083 . 0 0 "[ . 1 . 2]" 1
778 1 82 HIS H 1 82 HIS HD2 3.650 . 5.500 5.112 4.924 5.249 . 0 0 "[ . 1 . 2]" 1
779 1 82 HIS H 1 82 HIS HB3 2.530 . 3.260 2.518 2.363 2.665 . 0 0 "[ . 1 . 2]" 1
780 1 81 GLN HB3 1 82 HIS H 2.720 . 3.640 3.325 2.749 3.677 0.037 5 0 "[ . 1 . 2]" 1
781 1 72 GLN H 1 72 GLN HE22 3.440 . 5.080 3.781 3.316 5.135 0.055 19 0 "[ . 1 . 2]" 1
782 1 72 GLN HB2 1 72 GLN HE22 3.355 . 4.910 4.694 4.070 4.876 . 0 0 "[ . 1 . 2]" 1
783 1 72 GLN HB3 1 72 GLN HE22 3.480 . 5.160 3.373 3.235 3.591 . 0 0 "[ . 1 . 2]" 1
784 1 49 GLY HA2 1 50 ASP H 2.540 . 3.280 2.063 1.743 2.204 0.057 17 0 "[ . 1 . 2]" 1
785 1 50 ASP H 1 50 ASP HB2 2.565 . 3.330 3.194 2.742 3.430 0.100 10 0 "[ . 1 . 2]" 1
786 1 49 GLY HA3 1 50 ASP H 2.440 . 3.080 3.043 2.827 3.219 0.139 17 0 "[ . 1 . 2]" 1
787 1 100 LYS H 1 100 LYS HG3 2.890 . 3.980 3.179 2.426 4.021 0.041 4 0 "[ . 1 . 2]" 1
788 1 100 LYS H 1 100 LYS HG2 2.890 . 3.980 3.117 2.032 4.081 0.101 8 0 "[ . 1 . 2]" 1
789 1 100 LYS H 1 100 LYS HB2 2.800 . 3.800 2.865 2.162 3.833 0.033 12 0 "[ . 1 . 2]" 1
790 1 99 HIS HA 1 100 LYS H 2.325 . 2.850 2.166 2.039 2.265 . 0 0 "[ . 1 . 2]" 1
791 1 100 LYS H 1 100 LYS HB3 2.800 . 3.800 3.526 3.041 3.925 0.125 15 0 "[ . 1 . 2]" 1
792 1 90 LEU HA 1 91 CYS H 2.665 . 3.530 2.495 2.376 2.670 . 0 0 "[ . 1 . 2]" 1
793 1 91 CYS H 1 91 CYS HB2 3.000 . 4.200 2.852 2.464 3.549 . 0 0 "[ . 1 . 2]" 1
794 1 90 LEU HB2 1 91 CYS H 2.830 . 3.860 3.384 3.218 3.610 . 0 0 "[ . 1 . 2]" 1
795 1 90 LEU HB3 1 91 CYS H 2.775 . 3.750 2.346 2.193 2.576 . 0 0 "[ . 1 . 2]" 1
796 1 91 CYS H 1 91 CYS HB3 3.000 . 4.200 2.901 2.382 3.630 . 0 0 "[ . 1 . 2]" 1
797 1 14 GLN HB2 1 15 LEU H 2.505 . 3.210 2.928 2.725 3.172 . 0 0 "[ . 1 . 2]" 1
798 1 15 LEU H 1 15 LEU HB3 2.745 . 3.690 3.583 3.545 3.654 . 0 0 "[ . 1 . 2]" 1
799 1 75 THR H 1 76 LEU H 3.345 . 4.890 4.256 4.183 4.312 . 0 0 "[ . 1 . 2]" 1
800 1 75 THR HA 1 76 LEU H 2.585 . 3.370 2.480 2.346 2.637 . 0 0 "[ . 1 . 2]" 1
801 1 76 LEU H 1 77 GLN H 2.795 . 3.790 2.501 2.358 2.677 . 0 0 "[ . 1 . 2]" 1
802 1 76 LEU H 1 76 LEU HG 3.175 . 4.550 4.297 2.442 4.555 0.005 2 0 "[ . 1 . 2]" 1
803 1 76 LEU H 1 76 LEU MD2 3.000 . 4.200 3.927 1.786 4.212 0.014 3 0 "[ . 1 . 2]" 1
804 1 76 LEU H 1 76 LEU QB 2.860 . 3.430 2.140 1.943 2.584 . 0 0 "[ . 1 . 2]" 1
805 1 76 LEU H 1 76 LEU MD1 3.000 . 4.200 3.733 2.110 4.205 0.005 14 0 "[ . 1 . 2]" 1
806 1 12 GLU H 1 12 GLU HB3 2.710 . 3.620 3.560 3.465 3.626 0.006 18 0 "[ . 1 . 2]" 1
807 1 11 ALA MB 1 12 GLU H 2.630 . 3.460 2.373 2.239 2.580 . 0 0 "[ . 1 . 2]" 1
808 1 12 GLU H 1 12 GLU HB2 2.530 . 3.260 2.423 2.207 2.587 . 0 0 "[ . 1 . 2]" 1
809 1 27 ILE H 1 27 ILE HG12 3.005 . 4.210 4.071 3.939 4.273 0.063 12 0 "[ . 1 . 2]" 1
810 1 27 ILE H 1 27 ILE MD 3.185 . 4.570 4.184 3.665 4.320 . 0 0 "[ . 1 . 2]" 1
811 1 27 ILE H 1 27 ILE HB 2.840 . 3.880 2.638 2.411 2.790 . 0 0 "[ . 1 . 2]" 1
812 1 26 LEU HB2 1 27 ILE H 2.645 . 3.490 2.732 2.550 3.398 . 0 0 "[ . 1 . 2]" 1
813 1 27 ILE H 1 27 ILE HG13 3.010 . 4.220 3.074 2.919 3.179 . 0 0 "[ . 1 . 2]" 1
814 1 26 LEU HA 1 27 ILE H 2.670 . 3.540 2.335 2.251 2.437 . 0 0 "[ . 1 . 2]" 1
815 1 80 VAL H 1 80 VAL MG2 2.750 . 3.700 2.153 1.936 2.276 . 0 0 "[ . 1 . 2]" 1
816 1 80 VAL H 1 80 VAL MG1 2.750 . 3.700 2.317 2.142 2.495 . 0 0 "[ . 1 . 2]" 1
817 1 79 LEU HB3 1 80 VAL H 2.845 . 3.890 3.048 2.472 3.859 . 0 0 "[ . 1 . 2]" 1
818 1 79 LEU HB2 1 80 VAL H 3.055 . 4.310 4.101 3.863 4.200 . 0 0 "[ . 1 . 2]" 1
819 1 59 LYS HG3 1 60 LEU H 2.935 . 4.070 2.958 2.475 3.356 . 0 0 "[ . 1 . 2]" 1
820 1 60 LEU H 1 60 LEU HG 2.550 . 3.300 2.497 2.237 2.668 . 0 0 "[ . 1 . 2]" 1
821 1 60 LEU H 1 60 LEU HB2 2.405 . 3.010 2.407 2.353 2.483 . 0 0 "[ . 1 . 2]" 1
822 1 60 LEU H 1 60 LEU MD1 2.925 . 4.050 3.583 3.388 3.715 . 0 0 "[ . 1 . 2]" 1
823 1 60 LEU H 1 60 LEU MD2 3.095 . 4.390 3.603 3.427 3.742 . 0 0 "[ . 1 . 2]" 1
824 1 59 LYS HA 1 60 LEU H 2.400 . 3.000 2.153 2.046 2.304 . 0 0 "[ . 1 . 2]" 1
825 1 73 PHE H 1 73 PHE HB2 2.900 . 4.000 2.529 2.433 2.822 . 0 0 "[ . 1 . 2]" 1
826 1 72 GLN HA 1 73 PHE H 2.500 . 3.200 2.265 2.118 2.468 . 0 0 "[ . 1 . 2]" 1
827 1 73 PHE H 1 73 PHE QD 2.830 . 3.860 2.799 2.554 3.250 . 0 0 "[ . 1 . 2]" 1
828 1 72 GLN HB2 1 73 PHE H 2.815 . 3.830 2.728 2.110 3.072 . 0 0 "[ . 1 . 2]" 1
829 1 72 GLN HB3 1 73 PHE H 2.820 . 3.840 3.791 3.457 3.866 0.026 4 0 "[ . 1 . 2]" 1
830 1 73 PHE H 1 73 PHE HB3 2.900 . 4.000 3.684 3.627 3.855 . 0 0 "[ . 1 . 2]" 1
831 1 73 PHE H 1 73 PHE QE 3.570 . 5.340 4.921 4.614 5.343 0.003 5 0 "[ . 1 . 2]" 1
832 1 92 CYS HA 1 93 ARG H 2.460 . 3.120 2.310 2.177 2.514 . 0 0 "[ . 1 . 2]" 1
833 1 92 CYS HB2 1 93 ARG H 3.020 . 4.240 3.876 2.770 4.146 . 0 0 "[ . 1 . 2]" 1
834 1 93 ARG H 1 93 ARG HB3 2.500 . 3.200 2.763 2.411 3.238 0.038 2 0 "[ . 1 . 2]" 1
835 1 44 TRP HE1 1 50 ASP HB2 3.650 . 5.500 4.456 2.026 5.529 0.029 13 0 "[ . 1 . 2]" 1
836 1 44 TRP HE1 1 49 GLY HA2 2.780 . 3.760 3.677 3.173 3.986 0.226 17 0 "[ . 1 . 2]" 1
837 1 99 HIS H 1 99 HIS HB3 2.600 . 3.400 2.642 2.424 2.897 . 0 0 "[ . 1 . 2]" 1
838 1 98 CYS HA 1 99 HIS H 2.475 . 3.150 2.236 2.057 2.355 . 0 0 "[ . 1 . 2]" 1
839 1 3 PHE QE 1 99 HIS H 3.650 . 5.500 5.101 4.349 5.561 0.061 19 0 "[ . 1 . 2]" 1
840 1 99 HIS H 1 99 HIS HD2 3.650 . 5.500 4.902 3.954 5.122 . 0 0 "[ . 1 . 2]" 1
841 1 98 CYS HB2 1 99 HIS H 3.360 . 4.920 4.074 3.859 4.429 . 0 0 "[ . 1 . 2]" 1
842 1 98 CYS HB3 1 99 HIS H 3.360 . 4.920 3.929 3.646 4.367 . 0 0 "[ . 1 . 2]" 1
843 1 99 HIS H 1 99 HIS HB2 2.600 . 3.400 3.002 2.526 3.562 0.162 1 0 "[ . 1 . 2]" 1
844 1 47 MET H 1 47 MET HG2 3.020 . 4.240 3.581 2.165 4.281 0.041 18 0 "[ . 1 . 2]" 1
845 1 47 MET H 1 47 MET ME 2.835 . 3.870 3.567 2.072 3.967 0.097 4 0 "[ . 1 . 2]" 1
846 1 47 MET H 1 48 LYS H 2.380 . 2.960 2.265 2.139 2.545 . 0 0 "[ . 1 . 2]" 1
847 1 46 ASP H 1 47 MET H 2.675 . 3.550 2.472 2.253 3.106 . 0 0 "[ . 1 . 2]" 1
848 1 25 PHE HB3 1 26 LEU H 3.080 . 4.360 3.872 3.756 3.963 . 0 0 "[ . 1 . 2]" 1
849 1 25 PHE H 1 26 LEU H 3.270 . 4.740 4.388 4.322 4.429 . 0 0 "[ . 1 . 2]" 1
850 1 26 LEU H 1 26 LEU MD2 3.005 . 4.210 4.074 3.785 4.235 0.025 14 0 "[ . 1 . 2]" 1
851 1 26 LEU H 1 26 LEU MD1 3.160 . 4.520 3.720 3.529 4.213 . 0 0 "[ . 1 . 2]" 1
852 1 26 LEU H 1 26 LEU HB3 2.680 . 3.560 3.333 2.894 3.457 . 0 0 "[ . 1 . 2]" 1
853 1 25 PHE HB2 1 26 LEU H 3.080 . 4.360 2.599 2.404 2.734 . 0 0 "[ . 1 . 2]" 1
854 1 26 LEU H 1 26 LEU HG 2.620 . 3.440 2.826 2.641 3.351 . 0 0 "[ . 1 . 2]" 1
855 1 26 LEU H 1 27 ILE H 3.230 . 4.660 4.239 4.176 4.289 . 0 0 "[ . 1 . 2]" 1
856 1 25 PHE HA 1 26 LEU H 2.610 . 3.420 2.245 2.154 2.318 . 0 0 "[ . 1 . 2]" 1
857 1 62 ASN HB3 1 63 GLY H 3.210 . 4.620 4.201 3.181 4.600 . 0 0 "[ . 1 . 2]" 1
858 1 62 ASN H 1 63 GLY H 2.890 . 3.980 2.449 2.205 2.655 . 0 0 "[ . 1 . 2]" 1
859 1 62 ASN HB2 1 63 GLY H 3.210 . 4.620 4.233 3.612 4.619 . 0 0 "[ . 1 . 2]" 1
860 1 62 ASN HA 1 63 GLY H 2.660 . 3.520 3.177 2.955 3.422 . 0 0 "[ . 1 . 2]" 1
861 1 60 LEU HB2 1 63 GLY H 2.745 . 3.690 2.602 2.262 2.779 . 0 0 "[ . 1 . 2]" 1
862 1 60 LEU HB3 1 63 GLY H 2.855 . 3.910 2.806 2.470 3.187 . 0 0 "[ . 1 . 2]" 1
863 1 1 TRP HE1 1 77 GLN HA 3.105 . 4.410 4.373 2.357 6.323 1.913 4 3 "[ +. 1- . *2]" 1
864 1 1 TRP HE1 1 80 VAL MG1 3.375 . 4.950 4.283 2.543 5.383 0.433 19 0 "[ . 1 . 2]" 1
865 1 3 PHE H 1 26 LEU MD1 3.650 . 5.500 5.004 3.357 5.549 0.049 5 0 "[ . 1 . 2]" 1
866 1 6 LEU H 1 29 GLU HB3 3.650 . 5.500 5.507 5.224 5.599 0.099 3 0 "[ . 1 . 2]" 1
867 1 6 LEU H 1 28 ARG HB3 3.070 . 4.340 4.068 3.579 4.412 0.072 11 0 "[ . 1 . 2]" 1
868 1 6 LEU H 1 28 ARG HA 3.500 . 5.200 4.251 3.581 4.655 . 0 0 "[ . 1 . 2]" 1
869 1 6 LEU H 1 29 GLU H 2.830 . 3.860 3.265 2.874 3.798 . 0 0 "[ . 1 . 2]" 1
870 1 7 GLY H 1 10 ASP HB3 2.950 . 4.100 3.503 2.631 4.123 0.023 1 0 "[ . 1 . 2]" 1
871 1 6 LEU HG 1 7 GLY H 3.110 . 4.420 3.508 2.920 4.314 . 0 0 "[ . 1 . 2]" 1
872 1 6 LEU MD2 1 7 GLY H 3.230 . 4.660 4.330 3.270 4.581 . 0 0 "[ . 1 . 2]" 1
873 1 6 LEU MD1 1 7 GLY H 3.230 . 4.660 3.563 3.415 4.622 . 0 0 "[ . 1 . 2]" 1
874 1 8 ARG HD2 1 9 LYS H 3.650 . 5.500 4.818 3.816 5.506 0.006 14 0 "[ . 1 . 2]" 1
875 1 8 ARG HD3 1 9 LYS H 3.650 . 5.500 4.719 2.095 5.515 0.015 20 0 "[ . 1 . 2]" 1
876 1 7 GLY H 1 10 ASP H 2.950 . 4.100 3.738 3.480 4.014 . 0 0 "[ . 1 . 2]" 1
877 1 10 ASP H 1 11 ALA MB 3.010 . 4.220 4.165 3.991 4.237 0.017 4 0 "[ . 1 . 2]" 1
878 1 7 GLY H 1 11 ALA H 3.155 . 4.510 4.268 4.004 4.543 0.033 11 0 "[ . 1 . 2]" 1
879 1 6 LEU HG 1 11 ALA H 2.670 . 3.540 3.493 2.618 3.613 0.073 4 0 "[ . 1 . 2]" 1
880 1 6 LEU MD2 1 11 ALA H 3.295 . 4.790 4.537 2.136 4.813 0.023 20 0 "[ . 1 . 2]" 1
881 1 9 LYS HA 1 12 GLU H 3.165 . 4.530 3.441 2.560 4.563 0.033 20 0 "[ . 1 . 2]" 1
882 1 12 GLU H 1 52 VAL MG2 3.630 . 5.460 4.278 3.575 4.858 . 0 0 "[ . 1 . 2]" 1
883 1 11 ALA MB 1 13 ARG H 3.550 . 5.300 4.584 4.475 4.702 . 0 0 "[ . 1 . 2]" 1
884 1 11 ALA MB 1 14 GLN H 3.650 . 5.500 4.631 4.488 4.823 . 0 0 "[ . 1 . 2]" 1
885 1 12 GLU HB3 1 15 LEU H 3.510 . 5.220 5.138 4.904 5.292 0.072 6 0 "[ . 1 . 2]" 1
886 1 15 LEU H 1 26 LEU MD2 3.185 . 4.570 3.828 3.494 4.243 . 0 0 "[ . 1 . 2]" 1
887 1 13 ARG HA 1 16 LEU H 2.955 . 4.110 3.593 3.315 3.917 . 0 0 "[ . 1 . 2]" 1
888 1 16 LEU HG 1 17 SER H 3.540 . 5.280 4.779 4.516 5.371 0.091 6 0 "[ . 1 . 2]" 1
889 1 18 PHE HA 1 20 ASN H 2.980 . 4.160 3.245 2.776 4.189 0.029 6 0 "[ . 1 . 2]" 1
890 1 20 ASN H 1 24 THR MG 3.650 . 5.500 5.383 4.692 5.574 0.074 7 0 "[ . 1 . 2]" 1
891 1 15 LEU HA 1 20 ASN HD22 3.520 . 5.240 3.851 2.721 5.110 . 0 0 "[ . 1 . 2]" 1
892 1 23 GLY H 1 24 THR HA 3.635 . 5.470 4.895 4.784 5.024 . 0 0 "[ . 1 . 2]" 1
893 1 23 GLY H 1 43 ASP HA 3.650 . 5.500 3.702 2.854 4.399 . 0 0 "[ . 1 . 2]" 1
894 1 23 GLY H 1 41 ILE MG 3.085 . 4.370 3.443 2.812 4.161 . 0 0 "[ . 1 . 2]" 1
895 1 23 GLY H 1 42 ARG HB3 2.810 . 3.820 2.773 2.248 3.388 . 0 0 "[ . 1 . 2]" 1
896 1 24 THR H 1 42 ARG H 3.125 . 4.450 3.499 3.089 3.849 . 0 0 "[ . 1 . 2]" 1
897 1 24 THR H 1 42 ARG HB3 2.730 . 3.660 2.276 1.907 2.685 . 0 0 "[ . 1 . 2]" 1
898 1 24 THR H 1 42 ARG HB2 3.100 . 4.400 3.791 3.279 4.395 . 0 0 "[ . 1 . 2]" 1
899 1 25 PHE H 1 96 VAL H 3.240 . 4.680 3.819 3.560 4.405 . 0 0 "[ . 1 . 2]" 1
900 1 24 THR MG 1 25 PHE H 2.595 . 3.390 2.620 2.458 2.805 . 0 0 "[ . 1 . 2]" 1
901 1 26 LEU H 1 94 LEU MD2 3.385 . 4.970 4.862 4.509 5.009 0.039 9 0 "[ . 1 . 2]" 1
902 1 24 THR MG 1 26 LEU H 3.485 . 5.170 4.963 4.803 5.171 0.001 9 0 "[ . 1 . 2]" 1
903 1 26 LEU H 1 27 ILE HG13 3.610 . 5.420 4.520 4.180 4.866 . 0 0 "[ . 1 . 2]" 1
904 1 1 TRP HE3 1 27 ILE H 3.540 . 5.280 4.498 3.538 6.284 1.004 11 3 "[ -. 1+ . *2]" 1
905 1 3 PHE QD 1 27 ILE H 3.650 . 5.500 3.860 2.453 5.679 0.179 14 0 "[ . 1 . 2]" 1
906 1 3 PHE QE 1 27 ILE H 3.650 . 5.500 4.178 2.924 5.627 0.127 14 0 "[ . 1 . 2]" 1
907 1 26 LEU MD1 1 27 ILE H 2.985 . 4.170 2.970 2.494 3.157 . 0 0 "[ . 1 . 2]" 1
908 1 26 LEU MD2 1 27 ILE H 3.400 . 5.000 4.694 4.567 4.864 . 0 0 "[ . 1 . 2]" 1
909 1 27 ILE MG 1 28 ARG H 2.670 . 3.540 2.943 2.642 3.235 . 0 0 "[ . 1 . 2]" 1
910 1 4 GLY H 1 29 GLU H 3.295 . 4.790 4.462 3.598 5.015 0.225 12 0 "[ . 1 . 2]" 1
911 1 28 ARG HG3 1 29 GLU H 2.925 . 4.050 3.139 2.833 3.556 . 0 0 "[ . 1 . 2]" 1
912 1 30 SER H 1 37 TYR QD 3.265 . 4.730 4.300 3.993 4.696 . 0 0 "[ . 1 . 2]" 1
913 1 30 SER H 1 37 TYR HA 2.610 . 3.420 2.414 2.020 2.647 . 0 0 "[ . 1 . 2]" 1
914 1 31 GLU H 1 32 THR MG 3.410 . 5.020 3.832 3.306 4.919 . 0 0 "[ . 1 . 2]" 1
915 1 30 SER HA 1 32 THR H 3.065 . 4.330 3.419 2.930 4.075 . 0 0 "[ . 1 . 2]" 1
916 1 31 GLU HG2 1 32 THR H 3.575 . 5.350 4.964 4.532 5.173 . 0 0 "[ . 1 . 2]" 1
917 1 31 GLU H 1 33 THR H 3.180 . 4.560 3.814 3.443 4.117 . 0 0 "[ . 1 . 2]" 1
918 1 30 SER HB2 1 33 THR H 3.240 . 4.680 3.332 1.900 4.387 . 0 0 "[ . 1 . 2]" 1
919 1 33 THR MG 1 34 LYS H 2.915 . 4.030 2.367 2.112 2.829 . 0 0 "[ . 1 . 2]" 1
920 1 33 THR MG 1 36 ALA H 2.730 . 3.660 3.664 3.512 3.699 0.039 20 0 "[ . 1 . 2]" 1
921 1 8 ARG HA 1 10 ASP H 3.340 . 4.880 4.268 3.696 4.523 . 0 0 "[ . 1 . 2]" 1
922 1 13 ARG HD2 1 14 GLN H 3.650 . 5.500 5.007 4.481 5.253 . 0 0 "[ . 1 . 2]" 1
923 1 13 ARG HD3 1 14 GLN H 3.650 . 5.500 4.998 4.564 5.300 . 0 0 "[ . 1 . 2]" 1
924 1 9 LYS H 1 10 ASP HA 3.585 . 5.370 5.105 4.876 5.287 . 0 0 "[ . 1 . 2]" 1
925 1 23 GLY H 1 95 VAL H 3.650 . 5.500 5.453 5.118 5.565 0.065 14 0 "[ . 1 . 2]" 1
926 1 23 GLY H 1 42 ARG HB2 3.650 . 5.500 4.473 3.994 5.069 . 0 0 "[ . 1 . 2]" 1
927 1 26 LEU H 1 39 LEU HA 3.455 . 5.110 4.460 4.272 4.688 . 0 0 "[ . 1 . 2]" 1
928 1 26 LEU H 1 40 SER H 2.745 . 3.690 3.065 2.911 3.230 . 0 0 "[ . 1 . 2]" 1
929 1 1 TRP HB3 1 1 TRP HE1 3.400 . 5.000 4.868 4.695 5.416 0.416 11 0 "[ . 1 . 2]" 1
930 1 7 GLY H 1 9 LYS H 3.375 . 4.950 4.893 4.443 5.028 0.078 14 0 "[ . 1 . 2]" 1
931 1 10 ASP H 1 13 ARG H 3.455 . 5.110 4.795 4.693 4.901 . 0 0 "[ . 1 . 2]" 1
932 1 8 ARG HA 1 12 GLU H 3.375 . 4.950 3.835 3.437 4.225 . 0 0 "[ . 1 . 2]" 1
933 1 12 GLU H 1 52 VAL MG1 3.630 . 5.460 4.276 3.823 4.878 . 0 0 "[ . 1 . 2]" 1
934 1 15 LEU H 1 17 SER H 3.365 . 4.930 3.874 3.651 4.086 . 0 0 "[ . 1 . 2]" 1
935 1 14 GLN H 1 17 SER H 3.440 . 5.080 4.992 4.760 5.145 0.065 14 0 "[ . 1 . 2]" 1
936 1 24 THR H 1 41 ILE MG 3.475 . 5.150 3.971 3.421 4.428 . 0 0 "[ . 1 . 2]" 1
937 1 1 TRP HB2 1 27 ILE H 3.650 . 5.500 4.356 1.763 5.571 0.071 14 0 "[ . 1 . 2]" 1
938 1 32 THR MG 1 33 THR H 2.955 . 4.110 4.097 3.856 4.251 0.141 15 0 "[ . 1 . 2]" 1
939 1 33 THR MG 1 37 TYR H 3.210 . 4.620 4.625 4.349 4.719 0.099 17 0 "[ . 1 . 2]" 1
940 1 37 TYR H 1 57 ILE MD 3.165 . 4.530 4.215 3.985 4.407 . 0 0 "[ . 1 . 2]" 1
941 1 37 TYR H 1 57 ILE HB 2.865 . 3.930 2.624 2.409 2.872 . 0 0 "[ . 1 . 2]" 1
942 1 37 TYR H 1 58 ARG HA 3.310 . 4.820 4.233 3.743 4.755 . 0 0 "[ . 1 . 2]" 1
943 1 28 ARG H 1 38 SER H 2.855 . 3.910 3.091 2.793 3.311 . 0 0 "[ . 1 . 2]" 1
944 1 30 SER H 1 38 SER H 3.200 . 4.600 4.077 3.460 4.462 . 0 0 "[ . 1 . 2]" 1
945 1 37 TYR QD 1 38 SER H 3.070 . 4.340 3.737 3.487 4.219 . 0 0 "[ . 1 . 2]" 1
946 1 29 GLU HA 1 38 SER H 3.220 . 4.640 3.661 3.222 4.090 . 0 0 "[ . 1 . 2]" 1
947 1 27 ILE HG12 1 38 SER H 3.480 . 5.160 5.040 4.520 5.181 0.021 17 0 "[ . 1 . 2]" 1
948 1 27 ILE MG 1 38 SER H 2.885 . 3.970 2.857 2.469 3.348 . 0 0 "[ . 1 . 2]" 1
949 1 38 SER H 1 57 ILE MD 3.225 . 4.650 3.562 3.067 4.343 . 0 0 "[ . 1 . 2]" 1
950 1 27 ILE HG12 1 39 LEU H 3.275 . 4.750 4.336 4.047 4.787 0.037 14 0 "[ . 1 . 2]" 1
951 1 39 LEU H 1 56 LYS HA 3.105 . 4.410 3.844 3.572 4.093 . 0 0 "[ . 1 . 2]" 1
952 1 40 SER H 1 55 TYR H 3.455 . 5.110 4.864 4.725 5.099 . 0 0 "[ . 1 . 2]" 1
953 1 27 ILE HA 1 40 SER H 2.915 . 4.030 2.911 2.669 3.123 . 0 0 "[ . 1 . 2]" 1
954 1 27 ILE MG 1 40 SER H 3.520 . 5.240 4.636 4.253 4.870 . 0 0 "[ . 1 . 2]" 1
955 1 27 ILE HG13 1 40 SER H 3.605 . 5.410 4.390 3.827 4.611 . 0 0 "[ . 1 . 2]" 1
956 1 15 LEU MD1 1 41 ILE H 3.580 . 5.360 4.090 3.324 5.353 . 0 0 "[ . 1 . 2]" 1
957 1 41 ILE H 1 54 HIS HA 2.845 . 3.890 3.147 2.831 3.735 . 0 0 "[ . 1 . 2]" 1
958 1 41 ILE H 1 53 LYS H 2.885 . 3.970 3.161 2.962 3.361 . 0 0 "[ . 1 . 2]" 1
959 1 41 ILE H 1 55 TYR H 3.470 . 5.140 4.450 3.894 4.957 . 0 0 "[ . 1 . 2]" 1
960 1 23 GLY H 1 42 ARG H 3.360 . 4.920 3.905 3.571 4.282 . 0 0 "[ . 1 . 2]" 1
961 1 24 THR HB 1 42 ARG H 3.220 . 4.640 3.580 2.828 3.988 . 0 0 "[ . 1 . 2]" 1
962 1 41 ILE MG 1 42 ARG H 2.655 . 3.510 2.552 2.388 2.692 . 0 0 "[ . 1 . 2]" 1
963 1 24 THR MG 1 42 ARG H 3.430 . 5.060 4.398 4.032 4.790 . 0 0 "[ . 1 . 2]" 1
964 1 43 ASP H 1 52 VAL MG1 3.440 . 5.080 4.457 3.698 4.970 . 0 0 "[ . 1 . 2]" 1
965 1 43 ASP H 1 52 VAL MG2 3.440 . 5.080 3.912 3.226 4.978 . 0 0 "[ . 1 . 2]" 1
966 1 43 ASP H 1 52 VAL HA 2.825 . 3.850 2.760 2.286 3.267 . 0 0 "[ . 1 . 2]" 1
967 1 44 TRP HE1 1 45 ASP H 3.375 . 4.950 4.411 3.638 4.966 0.016 19 0 "[ . 1 . 2]" 1
968 1 45 ASP H 1 48 LYS H 3.270 . 4.740 4.477 3.677 4.800 0.060 17 0 "[ . 1 . 2]" 1
969 1 45 ASP H 1 50 ASP H 3.435 . 5.070 3.107 2.669 4.405 . 0 0 "[ . 1 . 2]" 1
970 1 45 ASP H 1 49 GLY H 2.865 . 3.930 3.815 2.969 4.019 0.089 19 0 "[ . 1 . 2]" 1
971 1 44 TRP HE3 1 45 ASP H 3.055 . 4.310 4.191 3.959 4.416 0.106 17 0 "[ . 1 . 2]" 1
972 1 45 ASP H 1 50 ASP HA 3.530 . 5.260 4.957 4.089 5.317 0.057 7 0 "[ . 1 . 2]" 1
973 1 45 ASP H 1 48 LYS HB2 3.230 . 4.660 4.320 3.508 4.722 0.062 17 0 "[ . 1 . 2]" 1
974 1 46 ASP H 1 47 MET HA 3.550 . 5.300 5.106 4.976 5.393 0.093 17 0 "[ . 1 . 2]" 1
975 1 44 TRP HZ2 1 46 ASP H 3.645 . 5.490 5.529 5.493 5.614 0.124 15 0 "[ . 1 . 2]" 1
976 1 44 TRP HE3 1 46 ASP H 3.520 . 5.240 5.079 4.649 5.274 0.034 18 0 "[ . 1 . 2]" 1
977 1 44 TRP HZ3 1 46 ASP H 3.350 . 4.900 4.641 4.122 4.914 0.014 18 0 "[ . 1 . 2]" 1
978 1 46 ASP H 1 48 LYS H 3.230 . 4.660 3.659 3.458 4.268 . 0 0 "[ . 1 . 2]" 1
979 1 47 MET H 1 49 GLY H 2.895 . 3.990 3.862 3.725 4.023 0.033 17 0 "[ . 1 . 2]" 1
980 1 47 MET H 1 48 LYS HA 3.450 . 5.100 4.985 4.669 5.125 0.025 16 0 "[ . 1 . 2]" 1
981 1 48 LYS H 1 49 GLY HA2 3.310 . 4.820 4.408 4.042 4.822 0.002 17 0 "[ . 1 . 2]" 1
982 1 45 ASP HB3 1 48 LYS H 3.430 . 5.060 2.272 1.911 3.074 . 0 0 "[ . 1 . 2]" 1
983 1 47 MET HB2 1 49 GLY H 3.650 . 5.500 4.970 4.573 5.712 0.212 17 0 "[ . 1 . 2]" 1
984 1 47 MET HB3 1 49 GLY H 3.650 . 5.500 5.074 4.611 5.428 . 0 0 "[ . 1 . 2]" 1
985 1 45 ASP HB3 1 49 GLY H 3.360 . 4.920 3.347 2.886 4.791 . 0 0 "[ . 1 . 2]" 1
986 1 47 MET HA 1 49 GLY H 3.365 . 4.930 3.806 3.539 4.454 . 0 0 "[ . 1 . 2]" 1
987 1 46 ASP H 1 49 GLY H 3.390 . 4.980 4.756 4.267 5.006 0.026 6 0 "[ . 1 . 2]" 1
988 1 44 TRP HE1 1 50 ASP H 3.195 . 4.590 3.857 2.869 4.469 . 0 0 "[ . 1 . 2]" 1
989 1 44 TRP HD1 1 50 ASP H 2.955 . 4.110 2.337 1.883 4.050 . 0 0 "[ . 1 . 2]" 1
990 1 16 LEU MD2 1 51 HIS H 3.310 . 4.820 3.442 3.034 4.674 . 0 0 "[ . 1 . 2]" 1
991 1 44 TRP HA 1 51 HIS H 2.945 . 4.090 3.497 3.112 4.030 . 0 0 "[ . 1 . 2]" 1
992 1 44 TRP HD1 1 51 HIS H 3.475 . 5.150 4.641 3.156 5.190 0.040 8 0 "[ . 1 . 2]" 1
993 1 45 ASP H 1 51 HIS H 3.460 . 5.120 4.906 4.278 5.188 0.068 18 0 "[ . 1 . 2]" 1
994 1 43 ASP H 1 51 HIS H 3.180 . 4.560 3.480 3.170 4.269 . 0 0 "[ . 1 . 2]" 1
995 1 43 ASP H 1 52 VAL H 3.640 . 5.480 4.732 4.443 5.274 . 0 0 "[ . 1 . 2]" 1
996 1 52 VAL MG2 1 53 LYS H 2.900 . 4.000 3.909 3.782 4.020 0.020 13 0 "[ . 1 . 2]" 1
997 1 52 VAL MG1 1 53 LYS H 2.900 . 4.000 2.722 2.434 3.733 . 0 0 "[ . 1 . 2]" 1
998 1 43 ASP H 1 53 LYS H 3.145 . 4.490 3.544 2.848 4.259 . 0 0 "[ . 1 . 2]" 1
999 1 39 LEU HB3 1 55 TYR H 3.340 . 4.880 2.954 2.648 3.144 . 0 0 "[ . 1 . 2]" 1
1000 1 55 TYR H 1 67 ILE MG 3.650 . 5.500 5.378 4.997 5.542 0.042 11 0 "[ . 1 . 2]" 1
1001 1 39 LEU MD2 1 55 TYR H 3.650 . 5.500 4.332 4.043 4.585 . 0 0 "[ . 1 . 2]" 1
1002 1 39 LEU MD1 1 55 TYR H 3.650 . 5.500 5.078 4.950 5.282 . 0 0 "[ . 1 . 2]" 1
1003 1 55 TYR H 1 57 ILE HG13 3.650 . 5.500 5.197 4.809 5.409 . 0 0 "[ . 1 . 2]" 1
1004 1 55 TYR H 1 57 ILE MD 3.650 . 5.500 5.387 4.943 5.538 0.038 6 0 "[ . 1 . 2]" 1
1005 1 39 LEU HB2 1 55 TYR H 3.560 . 5.320 4.543 4.265 4.724 . 0 0 "[ . 1 . 2]" 1
1006 1 39 LEU H 1 55 TYR H 2.810 . 3.820 3.158 2.879 3.490 . 0 0 "[ . 1 . 2]" 1
1007 1 55 TYR QD 1 56 LYS H 3.230 . 4.660 4.099 3.710 4.592 . 0 0 "[ . 1 . 2]" 1
1008 1 38 SER HA 1 56 LYS H 3.650 . 5.500 4.933 4.637 5.242 . 0 0 "[ . 1 . 2]" 1
1009 1 56 LYS H 1 67 ILE MG 3.345 . 4.890 4.322 2.941 4.907 0.017 16 0 "[ . 1 . 2]" 1
1010 1 56 LYS H 1 67 ILE HG12 3.635 . 5.470 4.677 4.044 5.471 0.001 19 0 "[ . 1 . 2]" 1
1011 1 38 SER HA 1 57 ILE H 2.865 . 3.930 2.850 2.346 3.252 . 0 0 "[ . 1 . 2]" 1
1012 1 38 SER H 1 57 ILE H 3.650 . 5.500 4.663 4.370 4.858 . 0 0 "[ . 1 . 2]" 1
1013 1 39 LEU H 1 57 ILE H 3.240 . 4.680 3.875 3.613 4.313 . 0 0 "[ . 1 . 2]" 1
1014 1 57 ILE MG 1 58 ARG H 2.640 . 3.480 3.004 2.661 3.228 . 0 0 "[ . 1 . 2]" 1
1015 1 58 ARG HD2 1 59 LYS H 3.650 . 5.500 4.329 2.185 5.544 0.044 6 0 "[ . 1 . 2]" 1
1016 1 58 ARG HD3 1 59 LYS H 3.650 . 5.500 4.486 3.212 5.560 0.060 17 0 "[ . 1 . 2]" 1
1017 1 60 LEU H 1 66 TYR QE 3.060 . 4.320 3.537 2.898 4.156 . 0 0 "[ . 1 . 2]" 1
1018 1 60 LEU H 1 65 TYR HA 2.930 . 4.060 3.224 2.984 3.533 . 0 0 "[ . 1 . 2]" 1
1019 1 60 LEU H 1 63 GLY HA3 3.445 . 5.090 4.697 4.424 5.039 . 0 0 "[ . 1 . 2]" 1
1020 1 59 LYS HE2 1 60 LEU H 3.650 . 5.500 5.327 4.796 5.616 0.116 10 0 "[ . 1 . 2]" 1
1021 1 59 LYS HE3 1 60 LEU H 3.650 . 5.500 4.915 4.257 5.513 0.013 18 0 "[ . 1 . 2]" 1
1022 1 59 LYS HG2 1 60 LEU H 2.935 . 4.070 2.714 2.112 3.201 . 0 0 "[ . 1 . 2]" 1
1023 1 60 LEU MD2 1 61 ASP H 3.300 . 4.800 3.745 3.536 4.047 . 0 0 "[ . 1 . 2]" 1
1024 1 60 LEU HB3 1 62 ASN H 3.405 . 5.010 2.920 2.398 3.501 . 0 0 "[ . 1 . 2]" 1
1025 1 60 LEU MD1 1 63 GLY H 3.090 . 4.380 3.980 3.617 4.238 . 0 0 "[ . 1 . 2]" 1
1026 1 60 LEU MD2 1 63 GLY H 3.415 . 5.030 4.670 4.409 4.964 . 0 0 "[ . 1 . 2]" 1
1027 1 60 LEU HA 1 63 GLY H 3.305 . 4.810 4.214 4.016 4.362 . 0 0 "[ . 1 . 2]" 1
1028 1 61 ASP HA 1 63 GLY H 3.310 . 4.820 3.832 3.583 4.124 . 0 0 "[ . 1 . 2]" 1
1029 1 63 GLY H 1 64 GLY HA2 3.605 . 5.410 4.768 4.505 5.175 . 0 0 "[ . 1 . 2]" 1
1030 1 60 LEU H 1 63 GLY H 3.350 . 4.900 4.289 4.076 4.452 . 0 0 "[ . 1 . 2]" 1
1031 1 60 LEU H 1 64 GLY H 3.020 . 4.240 3.937 3.741 4.097 . 0 0 "[ . 1 . 2]" 1
1032 1 60 LEU HA 1 64 GLY H 3.650 . 5.500 5.511 5.324 5.571 0.071 4 0 "[ . 1 . 2]" 1
1033 1 64 GLY H 1 72 GLN HG3 3.650 . 5.500 4.366 3.583 4.988 . 0 0 "[ . 1 . 2]" 1
1034 1 60 LEU MD1 1 64 GLY H 2.635 . 3.470 2.030 1.821 2.252 . 0 0 "[ . 1 . 2]" 1
1035 1 65 TYR H 1 75 THR HA 3.290 . 4.780 3.785 2.062 4.257 . 0 0 "[ . 1 . 2]" 1
1036 1 60 LEU HG 1 65 TYR H 3.650 . 5.500 5.433 5.021 5.569 0.069 5 0 "[ . 1 . 2]" 1
1037 1 60 LEU MD1 1 65 TYR H 3.510 . 5.220 4.817 4.319 5.146 . 0 0 "[ . 1 . 2]" 1
1038 1 57 ILE MG 1 66 TYR H 2.625 . 3.450 3.014 2.841 3.318 . 0 0 "[ . 1 . 2]" 1
1039 1 66 TYR H 1 67 ILE HG13 3.650 . 5.500 5.028 4.764 5.449 . 0 0 "[ . 1 . 2]" 1
1040 1 59 LYS HA 1 66 TYR H 3.020 . 4.240 3.220 2.831 3.601 . 0 0 "[ . 1 . 2]" 1
1041 1 57 ILE HA 1 66 TYR H 3.390 . 4.980 4.304 3.921 4.777 . 0 0 "[ . 1 . 2]" 1
1042 1 60 LEU H 1 66 TYR H 3.625 . 5.450 4.492 4.222 4.881 . 0 0 "[ . 1 . 2]" 1
1043 1 67 ILE MD 1 68 THR H 3.380 . 4.960 4.894 4.361 5.007 0.047 15 0 "[ . 1 . 2]" 1
1044 1 66 TYR HA 1 68 THR H 2.990 . 4.180 3.630 3.396 4.163 . 0 0 "[ . 1 . 2]" 1
1045 1 66 TYR QD 1 68 THR H 3.260 . 4.720 3.392 3.008 3.909 . 0 0 "[ . 1 . 2]" 1
1046 1 68 THR MG 1 69 THR H 3.515 . 5.230 3.693 3.555 3.924 . 0 0 "[ . 1 . 2]" 1
1047 1 69 THR MG 1 70 ARG H 3.130 . 4.460 4.178 2.629 4.438 . 0 0 "[ . 1 . 2]" 1
1048 1 68 THR MG 1 70 ARG H 3.020 . 4.240 2.684 2.346 3.670 . 0 0 "[ . 1 . 2]" 1
1049 1 68 THR HB 1 70 ARG H 3.130 . 4.460 4.103 2.669 4.475 0.015 20 0 "[ . 1 . 2]" 1
1050 1 68 THR HA 1 70 ARG H 3.485 . 5.170 3.911 3.440 4.147 . 0 0 "[ . 1 . 2]" 1
1051 1 68 THR H 1 71 ALA H 3.460 . 5.120 4.258 3.649 4.741 . 0 0 "[ . 1 . 2]" 1
1052 1 68 THR HA 1 71 ALA H 3.650 . 5.500 5.160 4.353 5.525 0.025 16 0 "[ . 1 . 2]" 1
1053 1 71 ALA H 1 72 GLN HA 3.650 . 5.500 4.505 4.246 4.769 . 0 0 "[ . 1 . 2]" 1
1054 1 69 THR HA 1 71 ALA H 3.080 . 4.360 3.795 3.547 4.111 . 0 0 "[ . 1 . 2]" 1
1055 1 60 LEU MD1 1 72 GLN H 3.485 . 5.170 5.079 4.863 5.254 0.084 6 0 "[ . 1 . 2]" 1
1056 1 60 LEU MD1 1 72 GLN HE22 3.145 . 4.490 4.044 2.594 4.504 0.014 13 0 "[ . 1 . 2]" 1
1057 1 60 LEU MD2 1 72 GLN HE22 3.375 . 4.950 4.651 2.729 5.004 0.054 16 0 "[ . 1 . 2]" 1
1058 1 69 THR MG 1 72 GLN HE22 3.335 . 4.870 4.642 4.173 4.901 0.031 1 0 "[ . 1 . 2]" 1
1059 1 69 THR HA 1 72 GLN HE22 3.345 . 4.890 3.924 3.052 4.918 0.028 14 0 "[ . 1 . 2]" 1
1060 1 69 THR HB 1 72 GLN HE22 3.645 . 5.490 4.837 4.008 5.571 0.081 14 0 "[ . 1 . 2]" 1
1061 1 69 THR HA 1 72 GLN HE21 3.215 . 4.630 3.644 2.964 4.357 . 0 0 "[ . 1 . 2]" 1
1062 1 69 THR MG 1 72 GLN HE21 3.350 . 4.900 4.581 3.960 4.963 0.063 5 0 "[ . 1 . 2]" 1
1063 1 60 LEU MD1 1 73 PHE H 3.485 . 5.170 4.681 4.118 5.107 . 0 0 "[ . 1 . 2]" 1
1064 1 72 GLN HG2 1 73 PHE H 3.610 . 5.420 4.325 3.662 4.845 . 0 0 "[ . 1 . 2]" 1
1065 1 72 GLN HG3 1 73 PHE H 3.650 . 5.500 4.724 4.092 5.214 . 0 0 "[ . 1 . 2]" 1
1066 1 73 PHE H 1 78 GLN HB2 3.650 . 5.500 5.501 5.314 5.558 0.058 2 0 "[ . 1 . 2]" 1
1067 1 64 GLY HA3 1 73 PHE H 3.650 . 5.500 4.353 3.974 5.110 . 0 0 "[ . 1 . 2]" 1
1068 1 73 PHE H 1 74 GLU HA 3.555 . 5.310 5.188 4.847 5.355 0.045 4 0 "[ . 1 . 2]" 1
1069 1 72 GLN HE21 1 73 PHE H 3.650 . 5.500 5.453 5.007 5.637 0.137 5 0 "[ . 1 . 2]" 1
1070 1 74 GLU H 1 79 LEU H 3.615 . 5.430 5.348 5.229 5.439 0.009 14 0 "[ . 1 . 2]" 1
1071 1 73 PHE QD 1 74 GLU H 2.915 . 4.030 3.520 3.373 3.704 . 0 0 "[ . 1 . 2]" 1
1072 1 74 GLU H 1 75 THR MG 3.185 . 4.570 4.314 4.065 4.552 . 0 0 "[ . 1 . 2]" 1
1073 1 65 TYR QE 1 76 LEU H 2.920 . 4.040 3.087 2.474 3.888 . 0 0 "[ . 1 . 2]" 1
1074 1 1 TRP HH2 1 76 LEU H 3.650 . 5.500 5.914 4.054 10.510 5.010 11 3 "[ -. 1+ . *2]" 1
1075 1 76 LEU H 1 77 GLN QB 3.515 . 5.230 4.170 4.020 4.308 . 0 0 "[ . 1 . 2]" 1
1076 1 75 THR MG 1 76 LEU H 2.825 . 3.850 3.196 2.781 3.449 . 0 0 "[ . 1 . 2]" 1
1077 1 76 LEU HG 1 77 GLN H 3.470 . 5.140 4.551 4.253 5.152 0.012 3 0 "[ . 1 . 2]" 1
1078 1 75 THR HA 1 77 GLN H 3.185 . 4.570 4.343 4.046 4.618 0.048 10 0 "[ . 1 . 2]" 1
1079 1 1 TRP HH2 1 77 GLN H 3.395 . 4.990 4.898 3.796 8.512 3.522 11 3 "[ -. 1+ . *2]" 1
1080 1 1 TRP HZ2 1 77 GLN H 3.270 . 4.740 4.889 2.902 8.371 3.631 11 3 "[ -. 1+ . *2]" 1
1081 1 75 THR H 1 77 GLN H 3.535 . 5.270 4.718 4.549 4.877 . 0 0 "[ . 1 . 2]" 1
1082 1 75 THR H 1 78 GLN H 2.975 . 4.150 3.398 3.330 3.509 . 0 0 "[ . 1 . 2]" 1
1083 1 75 THR HA 1 78 GLN H 3.340 . 4.880 4.663 4.581 4.840 . 0 0 "[ . 1 . 2]" 1
1084 1 75 THR MG 1 78 GLN H 3.165 . 4.530 2.250 1.979 2.632 . 0 0 "[ . 1 . 2]" 1
1085 1 75 THR MG 1 78 GLN HE22 3.365 . 4.930 4.157 3.603 4.833 . 0 0 "[ . 1 . 2]" 1
1086 1 75 THR MG 1 78 GLN HE21 3.390 . 4.980 2.984 2.525 3.647 . 0 0 "[ . 1 . 2]" 1
1087 1 79 LEU H 1 80 VAL HA 3.650 . 5.500 5.329 5.174 5.438 . 0 0 "[ . 1 . 2]" 1
1088 1 73 PHE HB2 1 79 LEU H 3.140 . 4.480 3.385 2.944 3.831 . 0 0 "[ . 1 . 2]" 1
1089 1 76 LEU HA 1 79 LEU H 2.840 . 3.880 3.342 3.013 3.571 . 0 0 "[ . 1 . 2]" 1
1090 1 79 LEU H 1 81 GLN HE21 3.650 . 5.500 5.368 4.742 5.534 0.034 16 0 "[ . 1 . 2]" 1
1091 1 79 LEU H 1 82 HIS H 3.650 . 5.500 5.032 4.736 5.415 . 0 0 "[ . 1 . 2]" 1
1092 1 77 GLN H 1 79 LEU H 3.180 . 4.560 4.190 4.017 4.403 . 0 0 "[ . 1 . 2]" 1
1093 1 77 GLN HA 1 80 VAL H 2.915 . 4.030 3.657 3.393 3.919 . 0 0 "[ . 1 . 2]" 1
1094 1 76 LEU HA 1 80 VAL H 3.195 . 4.590 4.410 3.850 4.655 0.065 20 0 "[ . 1 . 2]" 1
1095 1 78 GLN HB2 1 80 VAL H 3.595 . 5.390 5.161 5.011 5.346 . 0 0 "[ . 1 . 2]" 1
1096 1 80 VAL H 1 81 GLN HG2 3.650 . 5.500 5.294 4.611 5.682 0.182 14 0 "[ . 1 . 2]" 1
1097 1 79 LEU MD1 1 80 VAL H 3.325 . 4.850 4.342 2.888 4.811 . 0 0 "[ . 1 . 2]" 1
1098 1 79 LEU MD2 1 80 VAL H 3.325 . 4.850 3.019 2.647 3.884 . 0 0 "[ . 1 . 2]" 1
1099 1 80 VAL MG2 1 81 GLN H 2.895 . 3.990 2.431 2.309 2.572 . 0 0 "[ . 1 . 2]" 1
1100 1 87 ALA MB 1 90 LEU H 2.805 . 3.810 2.746 2.488 3.000 . 0 0 "[ . 1 . 2]" 1
1101 1 78 GLN HA 1 81 GLN H 2.620 . 3.440 3.445 3.350 3.501 0.061 17 0 "[ . 1 . 2]" 1
1102 1 79 LEU H 1 81 GLN H 3.025 . 4.250 4.064 3.985 4.177 . 0 0 "[ . 1 . 2]" 1
1103 1 81 GLN HG3 1 82 HIS H 3.610 . 5.420 3.565 2.813 4.246 . 0 0 "[ . 1 . 2]" 1
1104 1 82 HIS H 1 83 TYR QD 3.415 . 5.030 4.800 4.068 5.048 0.018 17 0 "[ . 1 . 2]" 1
1105 1 73 PHE QE 1 82 HIS H 3.135 . 4.470 4.216 3.804 4.499 0.029 19 0 "[ . 1 . 2]" 1
1106 1 81 GLN H 1 83 TYR H 3.235 . 4.670 4.095 3.881 4.182 . 0 0 "[ . 1 . 2]" 1
1107 1 81 GLN HA 1 83 TYR H 3.435 . 5.070 4.507 4.383 4.693 . 0 0 "[ . 1 . 2]" 1
1108 1 83 TYR H 1 94 LEU HG 3.395 . 4.990 4.524 4.452 4.653 . 0 0 "[ . 1 . 2]" 1
1109 1 83 TYR H 1 94 LEU HB2 3.650 . 5.500 5.257 4.937 5.512 0.012 7 0 "[ . 1 . 2]" 1
1110 1 83 TYR H 1 94 LEU MD2 3.650 . 5.500 5.536 5.495 5.569 0.069 6 0 "[ . 1 . 2]" 1
1111 1 83 TYR H 1 94 LEU MD1 2.935 . 4.070 3.626 3.456 3.777 . 0 0 "[ . 1 . 2]" 1
1112 1 84 SER H 1 94 LEU MD1 3.040 . 4.280 3.432 3.226 3.766 . 0 0 "[ . 1 . 2]" 1
1113 1 84 SER H 1 94 LEU HB2 3.165 . 4.530 3.748 3.513 4.146 . 0 0 "[ . 1 . 2]" 1
1114 1 84 SER H 1 94 LEU HB3 3.650 . 5.500 5.332 5.100 5.619 0.119 6 0 "[ . 1 . 2]" 1
1115 1 84 SER H 1 85 GLU HB2 3.440 . 5.080 4.586 4.477 4.732 . 0 0 "[ . 1 . 2]" 1
1116 1 81 GLN HG2 1 84 SER H 3.650 . 5.500 5.368 5.023 5.576 0.076 3 0 "[ . 1 . 2]" 1
1117 1 81 GLN HG3 1 84 SER H 3.650 . 5.500 5.286 5.122 5.522 0.022 14 0 "[ . 1 . 2]" 1
1118 1 80 VAL HA 1 84 SER H 3.310 . 4.820 4.274 3.902 4.482 . 0 0 "[ . 1 . 2]" 1
1119 1 84 SER H 1 85 GLU HA 3.600 . 5.400 4.982 4.873 5.114 . 0 0 "[ . 1 . 2]" 1
1120 1 83 TYR HA 1 86 ARG H 2.770 . 3.740 2.962 2.716 3.495 . 0 0 "[ . 1 . 2]" 1
1121 1 86 ARG HA 1 88 ALA H 3.050 . 4.300 4.130 3.809 4.323 0.023 7 0 "[ . 1 . 2]" 1
1122 1 86 ARG HD2 1 88 ALA H 3.650 . 5.500 4.824 3.963 5.509 0.009 1 0 "[ . 1 . 2]" 1
1123 1 86 ARG HD3 1 88 ALA H 3.650 . 5.500 4.630 3.563 5.452 . 0 0 "[ . 1 . 2]" 1
1124 1 86 ARG HB2 1 88 ALA H 3.195 . 4.590 2.946 2.617 3.646 . 0 0 "[ . 1 . 2]" 1
1125 1 55 TYR QE 1 91 CYS H 3.245 . 4.690 3.302 2.632 4.636 . 0 0 "[ . 1 . 2]" 1
1126 1 90 LEU HG 1 91 CYS H 3.405 . 5.010 4.955 4.863 5.039 0.029 7 0 "[ . 1 . 2]" 1
1127 1 41 ILE MD 1 91 CYS H 3.395 . 4.990 4.288 3.493 4.961 . 0 0 "[ . 1 . 2]" 1
1128 1 90 LEU MD1 1 92 CYS H 3.100 . 4.400 4.094 3.849 4.418 0.018 6 0 "[ . 1 . 2]" 1
1129 1 90 LEU MD2 1 92 CYS H 3.440 . 5.080 4.846 4.662 5.103 0.023 6 0 "[ . 1 . 2]" 1
1130 1 87 ALA MB 1 92 CYS H 2.905 . 4.010 3.486 3.019 3.903 . 0 0 "[ . 1 . 2]" 1
1131 1 90 LEU HB3 1 92 CYS H 2.685 . 3.570 2.838 2.619 3.156 . 0 0 "[ . 1 . 2]" 1
1132 1 90 LEU HG 1 92 CYS H 3.625 . 5.450 5.294 5.043 5.536 0.086 6 0 "[ . 1 . 2]" 1
1133 1 90 LEU HB2 1 92 CYS H 2.690 . 3.580 2.985 2.698 3.237 . 0 0 "[ . 1 . 2]" 1
1134 1 90 LEU HA 1 92 CYS H 3.120 . 4.440 4.302 4.102 4.482 0.042 6 0 "[ . 1 . 2]" 1
1135 1 90 LEU H 1 92 CYS H 3.430 . 5.060 4.992 4.726 5.108 0.048 11 0 "[ . 1 . 2]" 1
1136 1 87 ALA H 1 93 ARG H 3.470 . 5.140 4.945 4.167 5.193 0.053 16 0 "[ . 1 . 2]" 1
1137 1 83 TYR HB2 1 94 LEU H 3.435 . 5.070 4.113 3.898 4.500 . 0 0 "[ . 1 . 2]" 1
1138 1 84 SER HA 1 94 LEU H 2.845 . 3.890 2.756 2.297 3.128 . 0 0 "[ . 1 . 2]" 1
1139 1 23 GLY HA3 1 95 VAL H 3.245 . 4.690 3.088 2.880 3.350 . 0 0 "[ . 1 . 2]" 1
1140 1 24 THR HA 1 96 VAL H 3.190 . 4.580 2.776 2.287 3.281 . 0 0 "[ . 1 . 2]" 1
1141 1 3 PHE QE 1 98 CYS H 3.455 . 5.110 4.076 2.970 5.081 . 0 0 "[ . 1 . 2]" 1
1142 1 24 THR MG 1 98 CYS H 3.070 . 4.340 3.246 2.910 3.700 . 0 0 "[ . 1 . 2]" 1
1143 1 26 LEU MD2 1 98 CYS H 3.650 . 5.500 4.345 3.868 5.124 . 0 0 "[ . 1 . 2]" 1
1144 1 99 HIS HD2 1 100 LYS H 3.335 . 4.870 3.616 2.112 4.788 . 0 0 "[ . 1 . 2]" 1
1145 1 30 SER HA 1 33 THR H 3.475 . 5.150 4.086 3.750 4.439 . 0 0 "[ . 1 . 2]" 1
1146 1 30 SER HB2 1 36 ALA H 2.990 . 4.180 3.224 2.556 4.226 0.046 4 0 "[ . 1 . 2]" 1
1147 1 33 THR HB 1 36 ALA H 2.825 . 3.850 3.282 2.901 3.632 . 0 0 "[ . 1 . 2]" 1
1148 1 30 SER HB3 1 36 ALA H 2.990 . 4.180 3.962 2.808 4.252 0.072 14 0 "[ . 1 . 2]" 1
1149 1 30 SER H 1 37 TYR H 3.295 . 4.790 4.320 4.020 4.626 . 0 0 "[ . 1 . 2]" 1
1150 1 30 SER H 1 37 TYR HB2 3.650 . 5.500 5.321 4.929 5.530 0.030 10 0 "[ . 1 . 2]" 1
1151 1 30 SER H 1 37 TYR HB3 3.650 . 5.500 4.828 4.496 5.055 . 0 0 "[ . 1 . 2]" 1
1152 1 31 GLU HG3 1 32 THR H 3.575 . 5.350 4.188 3.732 4.629 . 0 0 "[ . 1 . 2]" 1
1153 1 34 LYS H 1 36 ALA H 3.650 . 5.500 4.565 4.427 4.758 . 0 0 "[ . 1 . 2]" 1
1154 1 65 TYR QD 1 76 LEU H 3.035 . 4.270 3.105 2.075 3.750 . 0 0 "[ . 1 . 2]" 1
1155 1 76 LEU H 1 79 LEU H 3.550 . 5.300 4.936 4.723 5.142 . 0 0 "[ . 1 . 2]" 1
1156 1 77 GLN H 1 80 VAL H 3.505 . 5.210 4.994 4.760 5.107 . 0 0 "[ . 1 . 2]" 1
1157 1 77 GLN HE22 1 78 GLN H 3.650 . 5.500 5.101 4.924 5.331 . 0 0 "[ . 1 . 2]" 1
1158 1 77 GLN HE22 1 81 GLN H 3.605 . 5.410 5.021 4.598 5.414 0.004 9 0 "[ . 1 . 2]" 1
1159 1 77 GLN HE22 1 81 GLN HB2 3.435 . 5.070 3.499 2.729 4.038 . 0 0 "[ . 1 . 2]" 1
1160 1 77 GLN HE22 1 81 GLN HG2 3.650 . 5.500 5.045 4.712 5.457 . 0 0 "[ . 1 . 2]" 1
1161 1 77 GLN HE22 1 81 GLN HG3 3.650 . 5.500 5.112 4.229 5.533 0.033 16 0 "[ . 1 . 2]" 1
1162 1 77 GLN HE21 1 81 GLN HG2 3.650 . 5.500 5.047 4.805 5.376 . 0 0 "[ . 1 . 2]" 1
1163 1 77 GLN HE21 1 81 GLN HG3 3.650 . 5.500 5.299 4.631 5.563 0.063 4 0 "[ . 1 . 2]" 1
1164 1 77 GLN HE21 1 81 GLN HB2 3.365 . 4.930 3.269 2.465 3.811 . 0 0 "[ . 1 . 2]" 1
1165 1 77 GLN HA 1 77 GLN HE21 3.575 . 5.350 3.512 3.391 3.720 . 0 0 "[ . 1 . 2]" 1
1166 1 77 GLN HE21 1 78 GLN H 3.350 . 4.900 4.557 4.329 4.697 . 0 0 "[ . 1 . 2]" 1
1167 1 76 LEU H 1 78 GLN H 3.505 . 5.210 4.029 3.933 4.200 . 0 0 "[ . 1 . 2]" 1
1168 1 76 LEU HA 1 78 GLN H 3.525 . 5.250 3.938 3.620 4.149 . 0 0 "[ . 1 . 2]" 1
1169 1 78 GLN H 1 79 LEU HB3 3.450 . 5.100 4.406 4.214 4.780 . 0 0 "[ . 1 . 2]" 1
1170 1 77 GLN HA 1 79 LEU H 3.485 . 5.170 4.457 4.233 4.618 . 0 0 "[ . 1 . 2]" 1
1171 1 73 PHE HB3 1 79 LEU H 3.140 . 4.480 3.194 2.999 3.690 . 0 0 "[ . 1 . 2]" 1
1172 1 73 PHE QD 1 79 LEU H 3.010 . 4.220 3.823 3.551 4.155 . 0 0 "[ . 1 . 2]" 1
1173 1 77 GLN HE21 1 80 VAL H 3.650 . 5.500 5.170 4.758 5.515 0.015 3 0 "[ . 1 . 2]" 1
1174 1 80 VAL H 1 83 TYR H 3.650 . 5.500 4.848 4.568 5.180 . 0 0 "[ . 1 . 2]" 1
1175 1 80 VAL H 1 83 TYR QD 3.385 . 4.970 4.667 4.031 4.971 0.001 14 0 "[ . 1 . 2]" 1
1176 1 78 GLN HA 1 80 VAL H 3.120 . 4.440 4.360 4.173 4.473 0.033 15 0 "[ . 1 . 2]" 1
1177 1 27 ILE MD 1 80 VAL H 3.350 . 4.900 4.456 4.056 4.801 . 0 0 "[ . 1 . 2]" 1
1178 1 80 VAL MG1 1 81 GLN H 2.895 . 3.990 3.986 3.897 4.027 0.037 16 0 "[ . 1 . 2]" 1
1179 1 79 LEU HG 1 82 HIS H 3.650 . 5.500 5.436 5.264 5.542 0.042 19 0 "[ . 1 . 2]" 1
1180 1 80 VAL HB 1 82 HIS H 3.650 . 5.500 5.493 5.403 5.546 0.046 14 0 "[ . 1 . 2]" 1
1181 1 83 TYR H 1 85 GLU H 3.050 . 4.300 4.092 3.897 4.283 . 0 0 "[ . 1 . 2]" 1
1182 1 82 HIS HD2 1 83 TYR H 3.395 . 4.990 4.215 3.632 4.796 . 0 0 "[ . 1 . 2]" 1
1183 1 79 LEU HG 1 83 TYR H 3.650 . 5.500 5.099 4.768 5.614 0.114 20 0 "[ . 1 . 2]" 1
1184 1 82 HIS HB3 1 84 SER H 3.650 . 5.500 4.741 4.641 4.871 . 0 0 "[ . 1 . 2]" 1
1185 1 84 SER H 1 94 LEU H 3.265 . 4.730 4.462 4.274 4.901 0.171 6 0 "[ . 1 . 2]" 1
1186 1 85 GLU H 1 93 ARG HB2 3.650 . 5.500 4.584 4.135 5.596 0.096 6 0 "[ . 1 . 2]" 1
1187 1 1 TRP HE3 1 27 ILE MD 3.225 . 4.650 4.384 3.274 6.664 2.014 4 3 "[ +. 1- . *2]" 1
1188 1 1 TRP HZ3 1 27 ILE MD 2.870 . 3.940 3.490 2.185 7.745 3.805 11 3 "[ -. 1+ . *2]" 1
1189 1 27 ILE HA 1 27 ILE MD 3.025 . 4.250 3.791 3.756 3.827 . 0 0 "[ . 1 . 2]" 1
1190 1 27 ILE MD 1 39 LEU HA 3.075 . 4.350 3.756 3.515 4.067 . 0 0 "[ . 1 . 2]" 1
1191 1 1 TRP HH2 1 27 ILE MD 3.010 . 4.220 3.263 1.859 8.144 3.924 11 3 "[ -. 1+ . *2]" 1
1192 1 27 ILE HB 1 27 ILE MD 2.835 . 3.870 2.452 2.302 2.509 . 0 0 "[ . 1 . 2]" 1
1193 1 27 ILE MD 1 80 VAL HB 3.380 . 4.960 4.128 3.913 4.432 . 0 0 "[ . 1 . 2]" 1
1194 1 27 ILE MD 1 57 ILE MD 2.715 . 3.630 2.302 2.102 2.988 . 0 0 "[ . 1 . 2]" 1
1195 1 67 ILE MD 1 83 TYR QD 3.155 . 4.510 3.300 2.993 4.218 . 0 0 "[ . 1 . 2]" 1
1196 1 55 TYR QD 1 67 ILE MD 3.065 . 4.330 3.767 3.165 4.129 . 0 0 "[ . 1 . 2]" 1
1197 1 67 ILE HA 1 67 ILE MD 3.070 . 4.340 3.752 3.696 3.844 . 0 0 "[ . 1 . 2]" 1
1198 1 67 ILE MD 1 67 ILE MG 2.415 . 3.030 1.899 1.825 2.033 . 0 0 "[ . 1 . 2]" 1
1199 1 57 ILE HG12 1 67 ILE MD 2.800 . 3.800 2.243 1.950 2.745 . 0 0 "[ . 1 . 2]" 1
1200 1 57 ILE MD 1 67 ILE MD 2.830 . 3.860 2.760 2.517 2.968 . 0 0 "[ . 1 . 2]" 1
1201 1 37 TYR QD 1 57 ILE MD 3.040 . 4.280 3.826 3.527 4.083 . 0 0 "[ . 1 . 2]" 1
1202 1 38 SER HA 1 57 ILE MD 3.255 . 4.710 3.559 3.211 4.137 . 0 0 "[ . 1 . 2]" 1
1203 1 39 LEU HA 1 57 ILE MD 3.105 . 4.410 3.178 2.937 3.670 . 0 0 "[ . 1 . 2]" 1
1204 1 57 ILE HA 1 57 ILE MD 3.145 . 4.490 3.883 3.840 3.916 . 0 0 "[ . 1 . 2]" 1
1205 1 57 ILE HB 1 57 ILE MD 2.775 . 3.750 2.441 2.395 2.536 . 0 0 "[ . 1 . 2]" 1
1206 1 57 ILE MD 1 57 ILE MG 2.410 . 3.020 1.978 1.915 2.102 . 0 0 "[ . 1 . 2]" 1
1207 1 41 ILE MD 1 55 TYR QD 2.785 . 3.770 2.692 2.327 3.296 . 0 0 "[ . 1 . 2]" 1
1208 1 41 ILE MD 1 55 TYR QE 2.680 . 3.560 2.047 1.912 2.284 . 0 0 "[ . 1 . 2]" 1
1209 1 39 LEU HG 1 41 ILE MD 2.625 . 3.450 2.539 2.313 3.026 . 0 0 "[ . 1 . 2]" 1
1210 1 41 ILE MD 1 94 LEU MD2 2.490 . 3.180 2.140 1.969 2.390 . 0 0 "[ . 1 . 2]" 1
1211 1 41 ILE MD 1 90 LEU MD1 2.565 . 3.330 2.208 2.004 2.432 . 0 0 "[ . 1 . 2]" 1
1212 1 41 ILE MG 1 94 LEU MD2 2.685 . 3.570 2.889 2.550 3.125 . 0 0 "[ . 1 . 2]" 1
1213 1 55 TYR QE 1 67 ILE MG 3.380 . 4.960 4.598 4.041 4.892 . 0 0 "[ . 1 . 2]" 1
1214 1 41 ILE MG 1 55 TYR QE 3.495 . 5.190 3.928 3.390 4.481 . 0 0 "[ . 1 . 2]" 1
1215 1 25 PHE HA 1 41 ILE MG 3.095 . 4.390 3.740 3.346 4.064 . 0 0 "[ . 1 . 2]" 1
1216 1 23 GLY HA3 1 41 ILE MG 3.365 . 4.930 4.118 3.577 4.790 . 0 0 "[ . 1 . 2]" 1
1217 1 67 ILE HA 1 67 ILE MG 2.545 . 3.290 2.745 2.476 2.894 . 0 0 "[ . 1 . 2]" 1
1218 1 23 GLY HA2 1 41 ILE MG 2.790 . 3.780 2.730 2.185 3.368 . 0 0 "[ . 1 . 2]" 1
1219 1 41 ILE MG 1 90 LEU MD1 3.245 . 4.690 4.269 3.659 4.588 . 0 0 "[ . 1 . 2]" 1
1220 1 87 ALA MB 1 89 GLY H 2.550 . 3.300 2.817 2.622 2.942 . 0 0 "[ . 1 . 2]" 1
1221 1 27 ILE MG 1 37 TYR QD 2.625 . 3.450 2.574 2.175 2.859 . 0 0 "[ . 1 . 2]" 1
1222 1 1 TRP HE3 1 27 ILE MG 3.425 . 5.050 4.633 3.050 7.028 1.978 11 3 "[ -. 1+ . *2]" 1
1223 1 27 ILE HA 1 27 ILE MG 2.705 . 3.610 2.514 2.398 2.649 . 0 0 "[ . 1 . 2]" 1
1224 1 27 ILE MG 1 39 LEU HA 2.885 . 3.970 3.389 3.068 3.654 . 0 0 "[ . 1 . 2]" 1
1225 1 8 ARG HA 1 11 ALA MB 2.645 . 3.490 2.692 2.277 3.414 . 0 0 "[ . 1 . 2]" 1
1226 1 11 ALA MB 1 28 ARG HD3 2.990 . 4.180 2.448 1.989 3.437 . 0 0 "[ . 1 . 2]" 1
1227 1 27 ILE MG 1 37 TYR HB2 2.930 . 4.060 3.147 2.930 3.553 . 0 0 "[ . 1 . 2]" 1
1228 1 87 ALA MB 1 92 CYS HA 2.620 . 3.440 3.140 2.866 3.452 0.012 7 0 "[ . 1 . 2]" 1
1229 1 86 ARG HA 1 87 ALA MB 2.935 . 4.070 4.070 3.999 4.098 0.028 8 0 "[ . 1 . 2]" 1
1230 1 87 ALA MB 1 93 ARG HA 2.735 . 3.670 3.291 2.929 3.572 . 0 0 "[ . 1 . 2]" 1
1231 1 87 ALA MB 1 90 LEU HB2 2.905 . 4.010 2.596 2.112 3.159 . 0 0 "[ . 1 . 2]" 1
1232 1 6 LEU MD1 1 11 ALA MB 2.570 . 3.340 2.514 2.130 3.393 0.053 11 0 "[ . 1 . 2]" 1
1233 1 11 ALA MB 1 26 LEU MD1 2.535 . 3.270 2.216 1.839 3.031 . 0 0 "[ . 1 . 2]" 1
1234 1 11 ALA MB 1 26 LEU MD2 2.665 . 3.530 2.403 1.978 3.310 . 0 0 "[ . 1 . 2]" 1
1235 1 87 ALA MB 1 90 LEU MD1 3.200 . 4.600 4.019 3.523 4.607 0.007 6 0 "[ . 1 . 2]" 1
1236 1 6 LEU HG 1 11 ALA MB 2.975 . 4.150 2.647 2.275 3.397 . 0 0 "[ . 1 . 2]" 1
1237 1 83 TYR QD 1 88 ALA MB 2.685 . 3.570 2.519 2.154 3.021 . 0 0 "[ . 1 . 2]" 1
1238 1 83 TYR QE 1 88 ALA MB 2.550 . 3.300 2.099 1.894 2.816 . 0 0 "[ . 1 . 2]" 1
1239 1 57 ILE MG 1 65 TYR QD 2.825 . 3.850 2.624 2.081 3.473 . 0 0 "[ . 1 . 2]" 1
1240 1 36 ALA HA 1 57 ILE MG 3.570 . 5.340 5.004 4.467 5.346 0.006 19 0 "[ . 1 . 2]" 1
1241 1 57 ILE MG 1 59 LYS HA 3.650 . 5.500 4.353 4.095 4.520 . 0 0 "[ . 1 . 2]" 1
1242 1 82 HIS HD2 1 88 ALA MB 2.975 . 4.150 2.859 1.970 3.869 . 0 0 "[ . 1 . 2]" 1
1243 1 83 TYR HA 1 88 ALA MB 3.025 . 4.250 3.807 3.330 4.337 0.087 6 0 "[ . 1 . 2]" 1
1244 1 57 ILE HA 1 57 ILE MG 2.620 . 3.440 2.337 2.258 2.411 . 0 0 "[ . 1 . 2]" 1
1245 1 36 ALA MB 1 57 ILE MG 3.130 . 4.460 4.351 3.862 4.515 0.055 4 0 "[ . 1 . 2]" 1
1246 1 27 ILE MD 1 57 ILE MG 3.300 . 4.800 3.987 3.717 4.721 . 0 0 "[ . 1 . 2]" 1
1247 1 57 ILE MG 1 76 LEU MD1 3.005 . 4.210 2.227 1.807 3.878 . 0 0 "[ . 1 . 2]" 1
1248 1 55 TYR QD 1 90 LEU MD2 2.895 . 3.990 2.969 2.360 3.678 . 0 0 "[ . 1 . 2]" 1
1249 1 55 TYR QE 1 90 LEU MD2 2.795 . 3.790 2.818 2.675 3.023 . 0 0 "[ . 1 . 2]" 1
1250 1 90 LEU HA 1 90 LEU MD2 2.495 . 3.190 2.184 2.083 2.264 . 0 0 "[ . 1 . 2]" 1
1251 1 90 LEU HB2 1 90 LEU MD2 2.740 . 3.680 3.211 3.198 3.239 . 0 0 "[ . 1 . 2]" 1
1252 1 67 ILE MG 1 90 LEU MD2 2.465 . 3.130 2.315 1.921 2.905 . 0 0 "[ . 1 . 2]" 1
1253 1 41 ILE MD 1 90 LEU MD2 2.805 . 3.810 3.597 2.768 3.844 0.034 6 0 "[ . 1 . 2]" 1
1254 1 96 VAL HA 1 96 VAL MG2 2.685 . 3.570 2.944 2.399 3.239 . 0 0 "[ . 1 . 2]" 1
1255 1 21 PRO HG3 1 96 VAL MG2 3.065 . 4.330 3.597 2.920 4.392 0.062 13 0 "[ . 1 . 2]" 1
1256 1 21 PRO HG2 1 96 VAL MG2 3.065 . 4.330 3.035 2.047 4.365 0.035 8 0 "[ . 1 . 2]" 1
1257 1 21 PRO HG3 1 96 VAL MG1 3.065 . 4.330 3.605 2.867 4.350 0.020 10 0 "[ . 1 . 2]" 1
1258 1 21 PRO HG2 1 96 VAL MG1 3.065 . 4.330 3.246 2.167 4.322 . 0 0 "[ . 1 . 2]" 1
1259 1 36 ALA MB 1 58 ARG HA 2.775 . 3.750 2.881 2.479 3.315 . 0 0 "[ . 1 . 2]" 1
1260 1 96 VAL HA 1 96 VAL MG1 2.685 . 3.570 2.640 2.277 3.251 . 0 0 "[ . 1 . 2]" 1
1261 1 68 THR MG 1 71 ALA MB 2.865 . 3.930 3.283 2.346 3.967 0.037 16 0 "[ . 1 . 2]" 1
1262 1 71 ALA MB 1 73 PHE QE 2.695 . 3.590 2.850 2.065 3.600 0.010 17 0 "[ . 1 . 2]" 1
1263 1 95 VAL MG2 1 96 VAL H 2.970 . 4.140 3.794 3.601 4.025 . 0 0 "[ . 1 . 2]" 1
1264 1 23 GLY HA3 1 95 VAL MG2 3.125 . 4.450 2.697 1.987 4.485 0.035 8 0 "[ . 1 . 2]" 1
1265 1 95 VAL HA 1 95 VAL MG2 2.510 . 3.220 2.350 2.287 2.459 . 0 0 "[ . 1 . 2]" 1
1266 1 68 THR HA 1 68 THR MG 2.575 . 3.350 3.170 2.178 3.239 . 0 0 "[ . 1 . 2]" 1
1267 1 68 THR MG 1 70 ARG HD2 3.650 . 5.500 3.268 2.355 4.431 . 0 0 "[ . 1 . 2]" 1
1268 1 68 THR MG 1 70 ARG HD3 3.650 . 5.500 3.317 2.368 4.758 . 0 0 "[ . 1 . 2]" 1
1269 1 67 ILE MG 1 68 THR MG 2.525 . 3.250 2.802 2.023 3.295 0.045 18 0 "[ . 1 . 2]" 1
1270 1 67 ILE HB 1 68 THR MG 2.680 . 3.560 3.265 2.872 3.564 0.004 5 0 "[ . 1 . 2]" 1
1271 1 67 ILE MD 1 68 THR MG 3.335 . 4.870 4.617 4.334 4.879 0.009 3 0 "[ . 1 . 2]" 1
1272 1 80 VAL HA 1 80 VAL MG2 2.645 . 3.490 3.220 3.189 3.239 . 0 0 "[ . 1 . 2]" 1
1273 1 77 GLN HA 1 80 VAL MG2 3.090 . 4.380 2.185 1.983 2.384 . 0 0 "[ . 1 . 2]" 1
1274 1 24 THR MG 1 99 HIS H 3.175 . 4.550 4.002 2.751 4.572 0.022 2 0 "[ . 1 . 2]" 1
1275 1 24 THR HA 1 24 THR MG 2.660 . 3.520 2.378 2.215 2.468 . 0 0 "[ . 1 . 2]" 1
1276 1 16 LEU HA 1 16 LEU MD2 3.010 . 4.220 2.434 2.045 3.807 . 0 0 "[ . 1 . 2]" 1
1277 1 33 THR HA 1 33 THR MG 2.500 . 3.200 2.321 2.251 2.432 . 0 0 "[ . 1 . 2]" 1
1278 1 75 THR HA 1 75 THR MG 2.505 . 3.210 3.224 3.208 3.238 0.028 9 0 "[ . 1 . 2]" 1
1279 1 20 ASN HB3 1 24 THR MG 2.890 . 3.980 2.713 2.001 3.736 . 0 0 "[ . 1 . 2]" 1
1280 1 20 ASN HB2 1 24 THR MG 2.890 . 3.980 3.178 2.169 3.760 . 0 0 "[ . 1 . 2]" 1
1281 1 24 THR MG 1 98 CYS HB2 3.280 . 4.760 2.454 1.999 3.750 . 0 0 "[ . 1 . 2]" 1
1282 1 75 THR MG 1 77 GLN QB 2.760 . 3.720 2.224 1.988 2.470 . 0 0 "[ . 1 . 2]" 1
1283 1 16 LEU HB2 1 16 LEU MD2 2.660 . 3.520 3.038 2.354 3.236 . 0 0 "[ . 1 . 2]" 1
1284 1 16 LEU HB3 1 16 LEU MD2 2.620 . 3.440 2.391 2.308 2.471 . 0 0 "[ . 1 . 2]" 1
1285 1 15 LEU HB3 1 24 THR MG 3.195 . 4.590 3.733 3.187 4.193 . 0 0 "[ . 1 . 2]" 1
1286 1 33 THR MG 1 34 LYS HB3 2.795 . 3.790 3.508 3.286 3.810 0.020 2 0 "[ . 1 . 2]" 1
1287 1 66 TYR QD 1 69 THR MG 3.085 . 4.370 3.107 2.793 4.335 . 0 0 "[ . 1 . 2]" 1
1288 1 66 TYR QE 1 69 THR MG 2.790 . 3.780 2.505 2.041 3.828 0.048 5 0 "[ . 1 . 2]" 1
1289 1 68 THR HA 1 69 THR MG 3.065 . 4.330 3.807 3.522 4.129 . 0 0 "[ . 1 . 2]" 1
1290 1 32 THR HA 1 32 THR MG 2.325 . 2.850 2.237 2.107 2.291 . 0 0 "[ . 1 . 2]" 1
1291 1 69 THR HA 1 69 THR MG 2.425 . 3.050 2.259 2.130 3.157 0.107 5 0 "[ . 1 . 2]" 1
1292 1 31 GLU HB2 1 32 THR MG 3.040 . 4.280 3.017 2.683 3.506 . 0 0 "[ . 1 . 2]" 1
1293 1 39 LEU MD1 1 94 LEU MD2 2.705 . 3.610 2.288 2.020 2.711 . 0 0 "[ . 1 . 2]" 1
1294 1 39 LEU HG 1 94 LEU MD2 3.110 . 4.420 3.275 3.033 3.582 . 0 0 "[ . 1 . 2]" 1
1295 1 12 GLU HG2 1 52 VAL MG1 3.265 . 4.730 2.541 1.913 3.830 . 0 0 "[ . 1 . 2]" 1
1296 1 25 PHE HB3 1 94 LEU MD2 3.120 . 4.440 2.149 1.945 2.412 . 0 0 "[ . 1 . 2]" 1
1297 1 12 GLU HG3 1 52 VAL MG1 3.265 . 4.730 3.231 2.326 4.000 . 0 0 "[ . 1 . 2]" 1
1298 1 12 GLU HA 1 52 VAL MG1 2.875 . 3.950 3.014 2.398 3.803 . 0 0 "[ . 1 . 2]" 1
1299 1 94 LEU HA 1 94 LEU MD2 2.635 . 3.470 2.129 2.038 2.234 . 0 0 "[ . 1 . 2]" 1
1300 1 42 ARG HA 1 52 VAL MG1 3.090 . 4.380 3.486 2.216 3.920 . 0 0 "[ . 1 . 2]" 1
1301 1 23 GLY HA3 1 95 VAL MG1 3.125 . 4.450 3.328 1.905 4.219 . 0 0 "[ . 1 . 2]" 1
1302 1 77 GLN HA 1 80 VAL MG1 3.090 . 4.380 3.735 3.491 4.006 . 0 0 "[ . 1 . 2]" 1
1303 1 80 VAL HA 1 80 VAL MG1 2.645 . 3.490 2.326 2.244 2.381 . 0 0 "[ . 1 . 2]" 1
1304 1 27 ILE MD 1 80 VAL MG1 2.825 . 3.850 1.947 1.808 2.116 . 0 0 "[ . 1 . 2]" 1
1305 1 80 VAL MG1 1 94 LEU MD1 2.785 . 3.770 2.417 2.255 2.653 . 0 0 "[ . 1 . 2]" 1
1306 1 42 ARG HA 1 52 VAL MG2 3.090 . 4.380 2.657 2.152 4.521 0.141 17 0 "[ . 1 . 2]" 1
1307 1 12 GLU HA 1 52 VAL MG2 2.875 . 3.950 2.084 1.798 3.505 0.002 18 0 "[ . 1 . 2]" 1
1308 1 76 LEU HA 1 76 LEU MD1 3.050 . 4.300 2.253 1.930 3.850 . 0 0 "[ . 1 . 2]" 1
1309 1 12 GLU HG2 1 52 VAL MG2 3.265 . 4.730 2.358 1.795 3.482 0.005 17 0 "[ . 1 . 2]" 1
1310 1 27 ILE MD 1 76 LEU MD1 2.805 . 3.810 2.617 1.861 3.869 0.059 10 0 "[ . 1 . 2]" 1
1311 1 60 LEU MD2 1 66 TYR QD 2.830 . 3.860 3.215 2.796 3.464 . 0 0 "[ . 1 . 2]" 1
1312 1 60 LEU MD2 1 66 TYR QE 2.570 . 3.340 2.336 2.013 2.639 . 0 0 "[ . 1 . 2]" 1
1313 1 37 TYR QD 1 76 LEU MD2 3.120 . 4.440 3.145 2.661 4.512 0.072 17 0 "[ . 1 . 2]" 1
1314 1 39 LEU HA 1 39 LEU MD1 3.120 . 4.440 2.181 2.117 2.241 . 0 0 "[ . 1 . 2]" 1
1315 1 60 LEU HA 1 60 LEU MD2 2.420 . 3.040 2.184 2.122 2.300 . 0 0 "[ . 1 . 2]" 1
1316 1 76 LEU HA 1 76 LEU MD2 3.050 . 4.300 3.553 2.074 3.886 . 0 0 "[ . 1 . 2]" 1
1317 1 60 LEU MD2 1 63 GLY HA3 3.195 . 4.590 4.350 4.167 4.596 0.006 17 0 "[ . 1 . 2]" 1
1318 1 60 LEU HB3 1 60 LEU MD2 2.530 . 3.260 2.309 2.260 2.360 . 0 0 "[ . 1 . 2]" 1
1319 1 15 LEU MD1 1 26 LEU MD2 2.725 . 3.650 2.768 2.066 3.418 . 0 0 "[ . 1 . 2]" 1
1320 1 15 LEU HB3 1 15 LEU MD1 2.700 . 3.600 2.452 2.317 2.644 . 0 0 "[ . 1 . 2]" 1
1321 1 15 LEU MD1 1 26 LEU HB3 3.605 . 5.410 3.967 2.783 4.778 . 0 0 "[ . 1 . 2]" 1
1322 1 27 ILE MG 1 76 LEU MD2 2.850 . 3.900 2.189 1.875 3.622 . 0 0 "[ . 1 . 2]" 1
1323 1 27 ILE MD 1 76 LEU MD2 2.805 . 3.810 2.596 1.801 3.877 0.067 3 0 "[ . 1 . 2]" 1
1324 1 79 LEU MD2 1 83 TYR QE 3.050 . 4.300 2.894 2.235 4.098 . 0 0 "[ . 1 . 2]" 1
1325 1 6 LEU HA 1 6 LEU MD2 3.035 . 4.270 3.608 3.498 3.670 . 0 0 "[ . 1 . 2]" 1
1326 1 6 LEU MD2 1 11 ALA HA 3.090 . 4.380 4.039 3.206 4.423 0.043 9 0 "[ . 1 . 2]" 1
1327 1 6 LEU MD2 1 10 ASP HB3 3.315 . 4.830 4.452 2.191 4.771 . 0 0 "[ . 1 . 2]" 1
1328 1 79 LEU HB3 1 79 LEU MD2 2.945 . 4.090 2.199 2.081 2.274 . 0 0 "[ . 1 . 2]" 1
1329 1 79 LEU HB2 1 79 LEU MD2 2.910 . 4.020 2.990 2.515 3.128 . 0 0 "[ . 1 . 2]" 1
1330 1 57 ILE MD 1 79 LEU MD2 3.090 . 4.380 2.542 1.996 3.117 . 0 0 "[ . 1 . 2]" 1
1331 1 9 LYS HA 1 9 LYS HG2 2.905 . 4.010 2.970 2.275 3.810 . 0 0 "[ . 1 . 2]" 1
1332 1 15 LEU MD1 1 26 LEU HG 3.145 . 4.490 2.647 2.045 3.340 . 0 0 "[ . 1 . 2]" 1
1333 1 60 LEU MD1 1 66 TYR QE 3.025 . 4.250 4.152 3.670 4.359 0.109 5 0 "[ . 1 . 2]" 1
1334 1 16 LEU HA 1 16 LEU MD1 3.010 . 4.220 3.580 2.350 3.892 . 0 0 "[ . 1 . 2]" 1
1335 1 60 LEU HA 1 60 LEU MD1 2.975 . 4.150 3.920 3.888 3.963 . 0 0 "[ . 1 . 2]" 1
1336 1 60 LEU MD1 1 64 GLY HA2 3.185 . 4.570 4.485 4.190 4.600 0.030 3 0 "[ . 1 . 2]" 1
1337 1 60 LEU MD1 1 63 GLY HA3 2.945 . 4.090 2.476 2.265 2.686 . 0 0 "[ . 1 . 2]" 1
1338 1 90 LEU HB2 1 90 LEU MD1 2.785 . 3.770 2.369 2.324 2.421 . 0 0 "[ . 1 . 2]" 1
1339 1 90 LEU HB3 1 90 LEU MD1 2.690 . 3.580 2.313 2.275 2.380 . 0 0 "[ . 1 . 2]" 1
1340 1 60 LEU HB2 1 60 LEU MD1 2.450 . 3.100 2.260 2.222 2.304 . 0 0 "[ . 1 . 2]" 1
1341 1 60 LEU HB3 1 60 LEU MD1 2.600 . 3.400 2.419 2.367 2.467 . 0 0 "[ . 1 . 2]" 1
1342 1 16 LEU HB2 1 16 LEU MD1 2.660 . 3.520 2.379 2.314 2.509 . 0 0 "[ . 1 . 2]" 1
1343 1 26 LEU MD1 1 27 ILE HA 3.200 . 4.600 3.075 2.851 3.563 . 0 0 "[ . 1 . 2]" 1
1344 1 26 LEU MD1 1 28 ARG HA 3.210 . 4.620 3.488 3.029 3.860 . 0 0 "[ . 1 . 2]" 1
1345 1 26 LEU MD1 1 28 ARG HB3 2.885 . 3.970 2.325 2.109 2.613 . 0 0 "[ . 1 . 2]" 1
1346 1 100 LYS HA 1 100 LYS HG2 2.855 . 3.910 3.001 2.300 3.818 . 0 0 "[ . 1 . 2]" 1
1347 1 37 TYR QD 1 76 LEU HG 3.650 . 5.500 5.064 3.876 5.564 0.064 2 0 "[ . 1 . 2]" 1
1348 1 65 TYR QE 1 76 LEU HG 3.650 . 5.500 5.369 3.896 5.606 0.106 19 0 "[ . 1 . 2]" 1
1349 1 11 ALA HA 1 26 LEU MD2 2.840 . 3.880 2.358 2.043 3.066 . 0 0 "[ . 1 . 2]" 1
1350 1 26 LEU HB3 1 26 LEU MD2 2.565 . 3.330 2.197 2.154 2.230 . 0 0 "[ . 1 . 2]" 1
1351 1 26 LEU MD2 1 98 CYS HB3 3.070 . 4.340 2.732 2.234 3.597 . 0 0 "[ . 1 . 2]" 1
1352 1 15 LEU MD2 1 41 ILE H 3.580 . 5.360 5.072 4.486 5.394 0.034 4 0 "[ . 1 . 2]" 1
1353 1 39 LEU HA 1 39 LEU MD2 3.120 . 4.440 3.913 3.888 3.940 . 0 0 "[ . 1 . 2]" 1
1354 1 6 LEU HA 1 6 LEU MD1 3.035 . 4.270 3.995 3.597 4.117 . 0 0 "[ . 1 . 2]" 1
1355 1 6 LEU MD1 1 11 ALA HA 3.090 . 4.380 2.401 2.079 4.345 . 0 0 "[ . 1 . 2]" 1
1356 1 6 LEU MD1 1 10 ASP HB3 3.315 . 4.830 2.211 1.863 4.066 . 0 0 "[ . 1 . 2]" 1
1357 1 15 LEU HB3 1 15 LEU MD2 2.700 . 3.600 2.516 2.247 3.173 . 0 0 "[ . 1 . 2]" 1
1358 1 15 LEU MD2 1 26 LEU HB3 3.605 . 5.410 3.073 2.003 4.182 . 0 0 "[ . 1 . 2]" 1
1359 1 39 LEU MD2 1 94 LEU MD2 2.705 . 3.610 1.983 1.891 2.214 . 0 0 "[ . 1 . 2]" 1
1360 1 15 LEU MD2 1 26 LEU MD2 2.725 . 3.650 2.177 2.048 2.545 . 0 0 "[ . 1 . 2]" 1
1361 1 6 LEU MD1 1 26 LEU MD2 3.070 . 4.340 3.073 2.520 4.273 . 0 0 "[ . 1 . 2]" 1
1362 1 13 ARG HA 1 13 ARG HG2 2.860 . 3.920 3.775 3.672 3.834 . 0 0 "[ . 1 . 2]" 1
1363 1 24 THR MG 1 98 CYS HB3 3.280 . 4.760 3.831 3.544 4.721 . 0 0 "[ . 1 . 2]" 1
1364 1 26 LEU MD2 1 98 CYS HB2 3.070 . 4.340 2.836 2.177 3.753 . 0 0 "[ . 1 . 2]" 1
1365 1 13 ARG HA 1 13 ARG HG3 2.950 . 4.100 3.732 3.635 3.794 . 0 0 "[ . 1 . 2]" 1
1366 1 39 LEU HG 1 90 LEU MD1 3.135 . 4.470 4.179 3.853 4.459 . 0 0 "[ . 1 . 2]" 1
1367 1 79 LEU HB3 1 79 LEU MD1 2.945 . 4.090 2.676 2.480 3.153 . 0 0 "[ . 1 . 2]" 1
1368 1 57 ILE MD 1 79 LEU MD1 3.090 . 4.380 3.062 2.477 4.150 . 0 0 "[ . 1 . 2]" 1
1369 1 78 GLN HE21 1 81 GLN HB2 3.650 . 5.500 5.253 4.485 5.560 0.060 4 0 "[ . 1 . 2]" 1
1370 1 81 GLN HB2 1 84 SER H 3.650 . 5.500 5.502 5.362 5.590 0.090 6 0 "[ . 1 . 2]" 1
1371 1 78 GLN HE21 1 81 GLN HB3 3.165 . 4.530 4.269 3.976 4.463 . 0 0 "[ . 1 . 2]" 1
1372 1 78 GLN HA 1 81 GLN HB3 2.790 . 3.780 2.606 2.253 2.915 . 0 0 "[ . 1 . 2]" 1
1373 1 12 GLU H 1 14 GLN HB2 3.550 . 5.300 5.290 5.070 5.350 0.050 14 0 "[ . 1 . 2]" 1
1374 1 53 LYS HD2 1 91 CYS HB2 3.650 . 5.500 3.881 2.351 5.470 . 0 0 "[ . 1 . 2]" 1
1375 1 53 LYS HD3 1 91 CYS HB2 3.650 . 5.500 4.400 3.247 5.523 0.023 12 0 "[ . 1 . 2]" 1
1376 1 14 GLN HB3 1 26 LEU MD2 3.505 . 5.210 3.423 2.504 4.310 . 0 0 "[ . 1 . 2]" 1
1377 1 12 GLU HB3 1 16 LEU H 3.530 . 5.260 4.793 4.487 5.094 . 0 0 "[ . 1 . 2]" 1
1378 1 9 LYS HA 1 12 GLU HB3 3.610 . 5.420 4.248 3.524 4.854 . 0 0 "[ . 1 . 2]" 1
1379 1 48 LYS HA 1 48 LYS HD2 3.290 . 4.780 4.184 2.164 4.822 0.042 6 0 "[ . 1 . 2]" 1
1380 1 48 LYS HA 1 48 LYS HD3 3.290 . 4.780 3.994 2.096 4.823 0.043 16 0 "[ . 1 . 2]" 1
1381 1 96 VAL HA 1 97 PRO HG2 3.595 . 5.390 4.481 4.390 4.660 . 0 0 "[ . 1 . 2]" 1
1382 1 96 VAL HA 1 97 PRO HG3 3.595 . 5.390 4.241 3.777 4.505 . 0 0 "[ . 1 . 2]" 1
1383 1 59 LYS HA 1 59 LYS HD2 3.600 . 5.400 4.595 4.281 4.934 . 0 0 "[ . 1 . 2]" 1
1384 1 59 LYS HA 1 59 LYS HD3 3.600 . 5.400 4.564 4.338 4.718 . 0 0 "[ . 1 . 2]" 1
1385 1 9 LYS HA 1 9 LYS HD2 3.600 . 5.400 4.437 2.945 4.906 . 0 0 "[ . 1 . 2]" 1
1386 1 9 LYS HA 1 9 LYS HD3 3.600 . 5.400 4.208 1.884 4.966 . 0 0 "[ . 1 . 2]" 1
1387 1 57 ILE HG12 1 67 ILE HG13 3.110 . 4.420 2.229 1.980 2.882 . 0 0 "[ . 1 . 2]" 1
1388 1 57 ILE HG12 1 67 ILE HG12 3.080 . 4.360 2.334 1.943 2.742 . 0 0 "[ . 1 . 2]" 1
1389 1 34 LYS HA 1 34 LYS HD2 3.480 . 5.160 3.733 1.959 4.856 . 0 0 "[ . 1 . 2]" 1
1390 1 34 LYS HA 1 34 LYS HD3 3.480 . 5.160 3.987 2.134 4.910 . 0 0 "[ . 1 . 2]" 1
1391 1 5 LYS HA 1 5 LYS HD2 3.620 . 5.440 4.536 2.088 4.934 . 0 0 "[ . 1 . 2]" 1
1392 1 5 LYS HA 1 5 LYS HD3 3.620 . 5.440 4.605 3.506 4.914 . 0 0 "[ . 1 . 2]" 1
1393 1 53 LYS HD2 1 91 CYS HB3 3.650 . 5.500 3.785 2.030 5.528 0.028 9 0 "[ . 1 . 2]" 1
1394 1 53 LYS HD3 1 91 CYS HB3 3.650 . 5.500 4.332 2.748 5.465 . 0 0 "[ . 1 . 2]" 1
1395 1 10 ASP HA 1 13 ARG QB 2.945 . 4.090 3.962 3.575 4.153 0.063 20 0 "[ . 1 . 2]" 1
1396 1 53 LYS HA 1 53 LYS HD2 3.650 . 5.500 4.537 3.057 5.518 0.018 13 0 "[ . 1 . 2]" 1
1397 1 53 LYS HA 1 53 LYS HD3 3.650 . 5.500 4.285 2.077 4.895 . 0 0 "[ . 1 . 2]" 1
1398 1 27 ILE HG13 1 39 LEU HA 3.155 . 4.510 3.455 2.866 3.773 . 0 0 "[ . 1 . 2]" 1
1399 1 73 PHE HA 1 74 GLU HB2 3.415 . 5.030 4.428 4.180 4.623 . 0 0 "[ . 1 . 2]" 1
1400 1 73 PHE HA 1 74 GLU HB3 3.650 . 5.500 4.774 4.500 5.088 . 0 0 "[ . 1 . 2]" 1
1401 1 5 LYS HA 1 29 GLU HB2 2.855 . 3.910 2.125 1.884 3.073 . 0 0 "[ . 1 . 2]" 1
1402 1 82 HIS HB2 1 84 SER H 3.650 . 5.500 5.391 5.267 5.534 0.034 10 0 "[ . 1 . 2]" 1
1403 1 31 GLU HB3 1 32 THR MG 3.040 . 4.280 4.158 3.538 4.366 0.086 2 0 "[ . 1 . 2]" 1
1404 1 1 TRP HB2 1 3 PHE QD 3.610 . 5.420 3.582 1.925 5.560 0.140 14 0 "[ . 1 . 2]" 1
1405 1 5 LYS HB3 1 5 LYS HE2 3.545 . 5.290 3.601 2.012 4.756 . 0 0 "[ . 1 . 2]" 1
1406 1 5 LYS HB3 1 5 LYS HE3 3.545 . 5.290 3.717 2.667 5.404 0.114 20 0 "[ . 1 . 2]" 1
1407 1 71 ALA HA 1 72 GLN HB3 3.330 . 4.860 4.771 4.496 4.883 0.023 7 0 "[ . 1 . 2]" 1
1408 1 33 THR HA 1 34 LYS HB2 3.240 . 4.680 4.395 4.200 4.603 . 0 0 "[ . 1 . 2]" 1
1409 1 60 LEU MD1 1 72 GLN HB3 3.195 . 4.590 2.788 2.412 3.363 . 0 0 "[ . 1 . 2]" 1
1410 1 47 MET HA 1 47 MET HG2 2.850 . 3.900 3.176 2.510 3.787 . 0 0 "[ . 1 . 2]" 1
1411 1 47 MET HA 1 47 MET HG3 2.850 . 3.900 3.033 2.415 3.893 . 0 0 "[ . 1 . 2]" 1
1412 1 97 PRO QB 1 98 CYS HA 3.220 . 4.640 4.523 4.363 4.650 0.010 15 0 "[ . 1 . 2]" 1
1413 1 78 GLN HA 1 81 GLN HG2 3.335 . 4.870 3.312 2.575 3.867 . 0 0 "[ . 1 . 2]" 1
1414 1 77 GLN HA 1 77 GLN HG2 2.945 . 4.090 2.551 2.459 2.640 . 0 0 "[ . 1 . 2]" 1
1415 1 77 GLN HA 1 77 GLN HG3 2.945 . 4.090 3.656 3.432 3.751 . 0 0 "[ . 1 . 2]" 1
1416 1 14 GLN HA 1 14 GLN HG2 2.775 . 3.750 2.809 2.193 3.118 . 0 0 "[ . 1 . 2]" 1
1417 1 14 GLN HA 1 14 GLN HG3 2.775 . 3.750 3.575 2.826 3.764 0.014 11 0 "[ . 1 . 2]" 1
1418 1 96 VAL HB 1 97 PRO HD2 3.210 . 4.620 3.103 2.247 4.460 . 0 0 "[ . 1 . 2]" 1
1419 1 78 GLN HA 1 78 GLN HG3 2.930 . 4.060 3.797 3.717 3.872 . 0 0 "[ . 1 . 2]" 1
1420 1 96 VAL HB 1 97 PRO HD3 3.210 . 4.620 3.839 2.965 4.623 0.003 8 0 "[ . 1 . 2]" 1
1421 1 73 PHE QD 1 78 GLN HG2 3.405 . 5.010 4.620 4.468 4.806 . 0 0 "[ . 1 . 2]" 1
1422 1 73 PHE QD 1 78 GLN HG3 3.130 . 4.460 3.798 3.637 3.977 . 0 0 "[ . 1 . 2]" 1
1423 1 74 GLU HA 1 74 GLU HG2 2.850 . 3.900 3.416 2.482 3.810 . 0 0 "[ . 1 . 2]" 1
1424 1 74 GLU HA 1 74 GLU HG3 2.850 . 3.900 2.918 2.578 3.708 . 0 0 "[ . 1 . 2]" 1
1425 1 85 GLU HA 1 85 GLU HG2 2.870 . 3.940 2.748 2.501 3.180 . 0 0 "[ . 1 . 2]" 1
1426 1 12 GLU HG3 1 52 VAL MG2 3.265 . 4.730 3.499 2.194 4.207 . 0 0 "[ . 1 . 2]" 1
1427 1 74 GLU HG2 1 75 THR MG 3.160 . 4.520 3.668 2.937 4.588 0.068 15 0 "[ . 1 . 2]" 1
1428 1 74 GLU HG3 1 75 THR MG 3.160 . 4.520 3.973 3.157 4.557 0.037 1 0 "[ . 1 . 2]" 1
1429 1 83 TYR HB2 1 94 LEU HG 3.165 . 4.530 2.369 2.207 2.802 . 0 0 "[ . 1 . 2]" 1
1430 1 83 TYR HB3 1 94 LEU HG 3.315 . 4.830 2.221 1.971 2.437 . 0 0 "[ . 1 . 2]" 1
1431 1 31 GLU HA 1 31 GLU HG2 2.865 . 3.930 2.960 2.366 4.049 0.119 9 0 "[ . 1 . 2]" 1
1432 1 83 TYR HB2 1 94 LEU MD1 2.815 . 3.830 2.215 2.100 2.343 . 0 0 "[ . 1 . 2]" 1
1433 1 83 TYR HB3 1 90 LEU MD1 3.025 . 4.250 2.652 2.380 3.063 . 0 0 "[ . 1 . 2]" 1
1434 1 83 TYR HB3 1 94 LEU MD1 3.150 . 4.500 3.188 3.026 3.381 . 0 0 "[ . 1 . 2]" 1
1435 1 94 LEU HB3 1 94 LEU MD1 2.980 . 4.160 2.309 2.266 2.333 . 0 0 "[ . 1 . 2]" 1
1436 1 37 TYR HB3 1 57 ILE HB 3.055 . 4.310 3.499 3.250 3.973 . 0 0 "[ . 1 . 2]" 1
1437 1 37 TYR QD 1 57 ILE HB 3.175 . 4.550 3.474 2.771 4.030 . 0 0 "[ . 1 . 2]" 1
1438 1 27 ILE HB 1 39 LEU HA 3.445 . 5.090 4.786 4.568 5.096 0.006 17 0 "[ . 1 . 2]" 1
1439 1 1 TRP HE3 1 27 ILE HB 2.935 . 4.070 3.694 2.263 6.389 2.319 11 3 "[ -. 1+ . *2]" 1
1440 1 1 TRP HZ3 1 27 ILE HB 3.185 . 4.570 3.547 2.103 8.359 3.789 11 3 "[ -. 1+ . *2]" 1
1441 1 6 LEU HG 1 10 ASP HB3 3.480 . 5.160 3.923 2.095 4.576 . 0 0 "[ . 1 . 2]" 1
1442 1 10 ASP HB3 1 13 ARG HG2 3.650 . 5.500 4.540 4.051 5.063 . 0 0 "[ . 1 . 2]" 1
1443 1 6 LEU HG 1 10 ASP HB2 3.650 . 5.500 3.903 2.250 5.502 0.002 14 0 "[ . 1 . 2]" 1
1444 1 10 ASP HB2 1 13 ARG HG2 3.650 . 5.500 4.950 4.472 5.219 . 0 0 "[ . 1 . 2]" 1
1445 1 44 TRP HH2 1 46 ASP HB2 3.330 . 4.860 3.845 2.889 4.902 0.042 1 0 "[ . 1 . 2]" 1
1446 1 66 TYR HB2 1 72 GLN HA 3.310 . 4.820 2.910 2.467 3.245 . 0 0 "[ . 1 . 2]" 1
1447 1 66 TYR HB3 1 72 GLN HA 3.310 . 4.820 2.390 2.094 3.577 . 0 0 "[ . 1 . 2]" 1
1448 1 5 LYS HA 1 5 LYS HE2 3.650 . 5.500 4.976 3.852 5.691 0.191 12 0 "[ . 1 . 2]" 1
1449 1 5 LYS HA 1 5 LYS HE3 3.650 . 5.500 4.789 4.132 5.657 0.157 4 0 "[ . 1 . 2]" 1
1450 1 5 LYS HB2 1 5 LYS HE2 3.545 . 5.290 3.432 1.928 4.647 . 0 0 "[ . 1 . 2]" 1
1451 1 5 LYS HB2 1 5 LYS HE3 3.545 . 5.290 3.423 2.013 4.738 . 0 0 "[ . 1 . 2]" 1
1452 1 12 GLU HA 1 15 LEU HB2 3.145 . 4.490 2.880 2.586 3.185 . 0 0 "[ . 1 . 2]" 1
1453 1 60 LEU HB2 1 63 GLY HA3 3.060 . 4.320 2.436 2.161 2.743 . 0 0 "[ . 1 . 2]" 1
1454 1 60 LEU HB3 1 63 GLY HA3 3.350 . 4.900 2.999 2.736 3.393 . 0 0 "[ . 1 . 2]" 1
1455 1 12 GLU H 1 15 LEU HB2 3.650 . 5.500 5.336 4.870 5.565 0.065 13 0 "[ . 1 . 2]" 1
1456 1 86 ARG HA 1 86 ARG HD2 3.650 . 5.500 5.138 4.624 5.522 0.022 15 0 "[ . 1 . 2]" 1
1457 1 86 ARG HA 1 86 ARG HD3 3.650 . 5.500 4.854 4.447 5.535 0.035 2 0 "[ . 1 . 2]" 1
1458 1 85 GLU HB2 1 86 ARG HD2 3.650 . 5.500 4.638 3.652 5.513 0.013 9 0 "[ . 1 . 2]" 1
1459 1 85 GLU HB2 1 86 ARG HD3 3.650 . 5.500 4.858 4.218 5.554 0.054 18 0 "[ . 1 . 2]" 1
1460 1 70 ARG HA 1 70 ARG HD2 3.580 . 5.360 4.830 3.971 5.460 0.100 4 0 "[ . 1 . 2]" 1
1461 1 70 ARG HA 1 70 ARG HD3 3.580 . 5.360 4.885 4.028 5.475 0.115 9 0 "[ . 1 . 2]" 1
1462 1 13 ARG HA 1 13 ARG HD2 3.650 . 5.500 4.937 4.658 5.533 0.033 19 0 "[ . 1 . 2]" 1
1463 1 13 ARG HA 1 13 ARG HD3 3.650 . 5.500 5.043 4.554 5.535 0.035 10 0 "[ . 1 . 2]" 1
1464 1 10 ASP HA 1 13 ARG HD2 3.485 . 5.170 3.383 2.007 4.502 . 0 0 "[ . 1 . 2]" 1
1465 1 73 PHE HB2 1 78 GLN HB2 3.020 . 4.240 3.346 2.897 3.579 . 0 0 "[ . 1 . 2]" 1
1466 1 21 PRO HB2 1 22 ARG HD2 3.380 . 4.960 3.983 2.285 5.018 0.058 16 0 "[ . 1 . 2]" 1
1467 1 21 PRO HB2 1 22 ARG HD3 3.380 . 4.960 4.049 2.512 5.031 0.071 3 0 "[ . 1 . 2]" 1
1468 1 25 PHE HB3 1 41 ILE MG 3.035 . 4.270 2.912 2.493 3.332 . 0 0 "[ . 1 . 2]" 1
1469 1 25 PHE HB2 1 94 LEU MD2 3.120 . 4.440 2.595 2.288 2.903 . 0 0 "[ . 1 . 2]" 1
1470 1 6 LEU HA 1 7 GLY HA3 3.285 . 4.770 4.367 4.257 4.459 . 0 0 "[ . 1 . 2]" 1
1471 1 6 LEU HA 1 7 GLY HA2 3.285 . 4.770 4.195 4.116 4.277 . 0 0 "[ . 1 . 2]" 1
1472 1 60 LEU MD1 1 63 GLY HA2 3.090 . 4.380 3.904 3.712 4.134 . 0 0 "[ . 1 . 2]" 1
1473 1 60 LEU HB2 1 63 GLY HA2 3.170 . 4.540 3.831 3.642 4.066 . 0 0 "[ . 1 . 2]" 1
1474 1 60 LEU HB3 1 63 GLY HA2 3.435 . 5.070 4.456 4.272 4.696 . 0 0 "[ . 1 . 2]" 1
1475 1 23 GLY HA2 1 95 VAL HB 3.295 . 4.790 4.149 3.540 4.821 0.031 8 0 "[ . 1 . 2]" 1
1476 1 22 ARG HA 1 23 GLY HA2 3.205 . 4.610 4.467 4.354 4.554 . 0 0 "[ . 1 . 2]" 1
1477 1 2 TYR QE 1 4 GLY HA3 3.280 . 4.760 4.052 3.175 4.838 0.078 19 0 "[ . 1 . 2]" 1
1478 1 2 TYR QE 1 4 GLY HA2 3.280 . 4.760 3.322 2.382 4.826 0.066 12 0 "[ . 1 . 2]" 1
1479 1 96 VAL HA 1 97 PRO HD2 2.635 . 3.470 2.563 2.253 3.145 . 0 0 "[ . 1 . 2]" 1
1480 1 20 ASN HA 1 21 PRO HD3 2.825 . 3.850 2.263 2.068 2.660 . 0 0 "[ . 1 . 2]" 1
1481 1 20 ASN HA 1 21 PRO HD2 2.825 . 3.850 2.269 2.034 2.607 . 0 0 "[ . 1 . 2]" 1
1482 1 71 ALA HA 1 72 GLN HG2 3.095 . 4.390 4.324 3.674 4.473 0.083 15 0 "[ . 1 . 2]" 1
1483 1 96 VAL HA 1 97 PRO HD3 2.635 . 3.470 2.099 1.885 2.349 . 0 0 "[ . 1 . 2]" 1
1484 1 42 ARG HB3 1 43 ASP HA 3.415 . 5.030 4.868 4.432 5.048 0.018 8 0 "[ . 1 . 2]" 1
1485 1 44 TRP HE3 1 45 ASP HA 3.025 . 4.250 3.674 3.449 4.110 . 0 0 "[ . 1 . 2]" 1
1486 1 44 TRP HZ3 1 45 ASP HA 3.235 . 4.670 4.413 4.146 4.885 0.215 17 0 "[ . 1 . 2]" 1
1487 1 40 SER HA 1 54 HIS HA 2.820 . 3.840 2.351 2.111 2.814 . 0 0 "[ . 1 . 2]" 1
1488 1 83 TYR QD 1 87 ALA HA 3.130 . 4.460 3.547 3.038 4.145 . 0 0 "[ . 1 . 2]" 1
1489 1 86 ARG HA 1 87 ALA HA 3.185 . 4.570 4.345 4.244 4.451 . 0 0 "[ . 1 . 2]" 1
1490 1 87 ALA HA 1 90 LEU MD1 3.050 . 4.300 3.495 2.969 4.082 . 0 0 "[ . 1 . 2]" 1
1491 1 59 LYS HA 1 60 LEU HA 3.180 . 4.560 4.374 4.308 4.414 . 0 0 "[ . 1 . 2]" 1
1492 1 25 PHE HA 1 26 LEU HG 3.395 . 4.990 4.293 3.952 5.057 0.067 14 0 "[ . 1 . 2]" 1
1493 1 25 PHE HA 1 41 ILE HA 2.930 . 4.060 2.336 2.089 2.594 . 0 0 "[ . 1 . 2]" 1
1494 1 25 PHE HA 1 42 ARG H 2.875 . 3.950 3.314 3.112 3.621 . 0 0 "[ . 1 . 2]" 1
1495 1 44 TRP HH2 1 46 ASP HA 3.025 . 4.250 3.212 2.125 4.260 0.010 6 0 "[ . 1 . 2]" 1
1496 1 11 ALA HA 1 14 GLN HB2 2.820 . 3.840 3.059 2.674 3.521 . 0 0 "[ . 1 . 2]" 1
1497 1 44 TRP HA 1 50 ASP HA 3.170 . 4.540 3.641 2.920 4.365 . 0 0 "[ . 1 . 2]" 1
1498 1 42 ARG HA 1 52 VAL HA 2.945 . 4.090 2.612 2.189 3.033 . 0 0 "[ . 1 . 2]" 1
1499 1 5 LYS HA 1 29 GLU HB3 2.940 . 4.080 3.733 3.371 4.114 0.034 12 0 "[ . 1 . 2]" 1
1500 1 29 GLU HA 1 37 TYR HA 2.845 . 3.890 2.436 2.109 2.915 . 0 0 "[ . 1 . 2]" 1
1501 1 65 TYR QE 1 76 LEU HA 3.650 . 5.500 4.756 3.974 5.544 0.044 12 0 "[ . 1 . 2]" 1
1502 1 57 ILE MG 1 65 TYR HA 2.975 . 4.150 3.625 3.379 4.009 . 0 0 "[ . 1 . 2]" 1
1503 1 85 GLU HA 1 85 GLU HG3 2.870 . 3.940 3.378 3.168 3.836 . 0 0 "[ . 1 . 2]" 1
1504 1 59 LYS HA 1 65 TYR HA 2.805 . 3.810 2.092 1.975 2.268 . 0 0 "[ . 1 . 2]" 1
1505 1 38 SER HA 1 56 LYS HA 2.905 . 4.010 2.752 2.466 3.126 . 0 0 "[ . 1 . 2]" 1
1506 1 65 TYR HA 1 65 TYR QD 2.940 . 4.080 2.935 2.402 3.240 . 0 0 "[ . 1 . 2]" 1
1507 1 65 TYR HA 1 66 TYR QD 3.225 . 4.650 3.243 2.806 3.690 . 0 0 "[ . 1 . 2]" 1
1508 1 100 LYS HA 1 100 LYS HG3 2.855 . 3.910 3.480 2.887 3.807 . 0 0 "[ . 1 . 2]" 1
1509 1 31 GLU HA 1 31 GLU HG3 2.865 . 3.930 3.074 2.858 3.296 . 0 0 "[ . 1 . 2]" 1
1510 1 40 SER HA 1 41 ILE HB 3.240 . 4.680 4.693 4.671 4.706 0.026 9 0 "[ . 1 . 2]" 1
1511 1 78 GLN HA 1 78 GLN HG2 2.610 . 3.420 3.132 3.010 3.229 . 0 0 "[ . 1 . 2]" 1
1512 1 78 GLN HA 1 81 GLN HB2 2.965 . 4.130 4.031 3.434 4.203 0.073 12 0 "[ . 1 . 2]" 1
1513 1 81 GLN HA 1 81 GLN HG2 2.825 . 3.850 3.653 3.323 3.820 . 0 0 "[ . 1 . 2]" 1
1514 1 81 GLN HA 1 81 GLN HG3 2.940 . 4.080 3.332 2.908 3.625 . 0 0 "[ . 1 . 2]" 1
1515 1 21 PRO HA 1 22 ARG HA 3.300 . 4.800 4.348 4.292 4.435 . 0 0 "[ . 1 . 2]" 1
1516 1 22 ARG HA 1 23 GLY HA3 3.495 . 5.190 4.379 4.275 4.483 . 0 0 "[ . 1 . 2]" 1
1517 1 1 TRP HE3 1 2 TYR HA 3.270 . 4.740 4.223 3.492 5.988 1.248 11 3 "[ -. 1+ . *2]" 1
1518 1 2 TYR HA 1 3 PHE QD 3.415 . 5.030 3.465 2.107 4.829 . 0 0 "[ . 1 . 2]" 1
1519 1 2 TYR HA 1 2 TYR QD 2.905 . 4.010 2.762 2.046 3.773 . 0 0 "[ . 1 . 2]" 1
1520 1 73 PHE QD 1 79 LEU HA 2.985 . 4.170 3.066 2.524 3.276 . 0 0 "[ . 1 . 2]" 1
1521 1 73 PHE QE 1 79 LEU HA 3.260 . 4.720 3.272 3.052 3.487 . 0 0 "[ . 1 . 2]" 1
1522 1 79 LEU HA 1 79 LEU HG 2.915 . 4.030 2.974 2.723 3.718 . 0 0 "[ . 1 . 2]" 1
1523 1 13 ARG HA 1 16 LEU HB2 2.735 . 3.670 2.978 2.624 3.555 . 0 0 "[ . 1 . 2]" 1
1524 1 64 GLY HA3 1 74 GLU HA 3.010 . 4.220 3.152 2.599 3.580 . 0 0 "[ . 1 . 2]" 1
1525 1 9 LYS HA 1 11 ALA H 3.345 . 4.890 4.395 3.883 4.914 0.024 20 0 "[ . 1 . 2]" 1
1526 1 77 GLN HA 1 80 VAL HB 3.650 . 5.500 5.168 4.915 5.407 . 0 0 "[ . 1 . 2]" 1
1527 1 1 TRP HZ2 1 77 GLN HA 2.795 . 3.790 2.928 2.064 6.136 2.346 11 3 "[ -. 1+ . *2]" 1
1528 1 81 GLN HG2 1 82 HIS HA 3.650 . 5.500 3.556 3.083 4.105 . 0 0 "[ . 1 . 2]" 1
1529 1 81 GLN HG3 1 82 HIS HA 3.650 . 5.500 3.661 2.981 4.362 . 0 0 "[ . 1 . 2]" 1
1530 1 82 HIS HA 1 84 SER H 2.975 . 4.150 3.808 3.591 3.968 . 0 0 "[ . 1 . 2]" 1
1531 1 27 ILE HA 1 39 LEU HA 3.035 . 4.270 2.566 2.197 2.895 . 0 0 "[ . 1 . 2]" 1
1532 1 27 ILE HA 1 28 ARG HG2 3.325 . 4.850 4.157 3.759 4.440 . 0 0 "[ . 1 . 2]" 1
1533 1 24 THR MG 1 98 CYS HA 2.750 . 3.700 2.498 1.854 2.919 . 0 0 "[ . 1 . 2]" 1
1534 1 1 TRP HH2 1 77 GLN HA 3.120 . 4.440 4.311 3.482 6.955 2.515 11 3 "[ -. 1+ . *2]" 1
1535 1 57 ILE HA 1 57 ILE HG12 3.020 . 4.240 2.641 2.570 2.718 . 0 0 "[ . 1 . 2]" 1
1536 1 30 SER HB3 1 36 ALA MB 2.870 . 3.940 3.135 2.456 3.612 . 0 0 "[ . 1 . 2]" 1
1537 1 30 SER HB2 1 36 ALA MB 2.870 . 3.940 2.638 2.080 3.543 . 0 0 "[ . 1 . 2]" 1
1538 1 95 VAL HA 1 95 VAL MG1 2.510 . 3.220 2.655 2.396 3.238 0.018 19 0 "[ . 1 . 2]" 1
1539 1 28 ARG H 1 40 SER HB2 3.650 . 5.500 4.406 4.083 4.684 . 0 0 "[ . 1 . 2]" 1
1540 1 28 ARG H 1 40 SER HB3 3.650 . 5.500 5.375 4.630 5.598 0.098 11 0 "[ . 1 . 2]" 1
1541 1 28 ARG HG3 1 38 SER HB3 3.440 . 5.080 4.049 2.066 5.090 0.010 2 0 "[ . 1 . 2]" 1
1542 1 28 ARG HG3 1 38 SER HB2 3.440 . 5.080 3.553 2.791 4.463 . 0 0 "[ . 1 . 2]" 1
1543 1 28 ARG HG2 1 38 SER HB3 2.980 . 4.160 3.135 2.018 4.135 . 0 0 "[ . 1 . 2]" 1
1544 1 28 ARG HG2 1 38 SER HB2 2.980 . 4.160 2.913 1.922 4.129 . 0 0 "[ . 1 . 2]" 1
1545 1 80 VAL HA 1 94 LEU MD1 2.680 . 3.560 2.246 2.047 2.509 . 0 0 "[ . 1 . 2]" 1
1546 1 24 THR HB 1 42 ARG HB2 3.250 . 4.700 2.781 2.187 3.508 . 0 0 "[ . 1 . 2]" 1
1547 1 33 THR HB 1 34 LYS HB3 3.650 . 5.500 5.532 5.355 5.617 0.117 11 0 "[ . 1 . 2]" 1
1548 1 33 THR HB 1 36 ALA MB 2.480 . 3.160 2.015 1.883 2.240 . 0 0 "[ . 1 . 2]" 1
1549 1 55 TYR HB2 1 67 ILE MD 3.080 . 4.360 2.568 2.194 2.995 . 0 0 "[ . 1 . 2]" 1
1550 1 27 ILE MD 1 76 LEU HA 3.265 . 4.730 4.483 3.575 4.822 0.092 14 0 "[ . 1 . 2]" 1
1551 1 37 TYR HB2 1 57 ILE MD 3.230 . 4.660 2.268 1.965 2.473 . 0 0 "[ . 1 . 2]" 1
1552 1 27 ILE MG 1 28 ARG HG2 3.355 . 4.910 4.493 4.092 4.833 . 0 0 "[ . 1 . 2]" 1
1553 1 87 ALA MB 1 93 ARG HB3 2.835 . 3.870 2.669 2.310 3.853 . 0 0 "[ . 1 . 2]" 1
1554 1 41 ILE MG 1 94 LEU HA 3.210 . 4.620 3.699 3.392 3.953 . 0 0 "[ . 1 . 2]" 1
1555 1 27 ILE MD 1 27 ILE MG 2.465 . 3.130 1.900 1.838 2.094 . 0 0 "[ . 1 . 2]" 1
1556 1 34 LYS HB3 1 36 ALA MB 3.060 . 4.320 4.379 4.331 4.445 0.125 12 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 474
_Distance_constraint_stats_list.Viol_count 541
_Distance_constraint_stats_list.Viol_total 1260.041
_Distance_constraint_stats_list.Viol_max 4.806
_Distance_constraint_stats_list.Viol_rms 0.1238
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.1165
_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 1 TRP 36.624 4.806 11 3 "[ *. 1+ . *2]"
1 2 TYR 0.160 0.093 11 0 "[ . 1 . 2]"
1 3 PHE 1.778 0.214 14 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 0.040 0.028 20 0 "[ . 1 . 2]"
1 6 LEU 4.577 0.214 14 0 "[ . 1 . 2]"
1 7 GLY 2.439 0.203 10 0 "[ . 1 . 2]"
1 8 ARG 0.189 0.050 14 0 "[ . 1 . 2]"
1 9 LYS 1.068 0.113 17 0 "[ . 1 . 2]"
1 10 ASP 0.166 0.051 11 0 "[ . 1 . 2]"
1 11 ALA 0.072 0.072 20 0 "[ . 1 . 2]"
1 12 GLU 1.597 0.130 17 0 "[ . 1 . 2]"
1 13 ARG 0.098 0.045 9 0 "[ . 1 . 2]"
1 14 GLN 0.959 0.114 20 0 "[ . 1 . 2]"
1 15 LEU 2.578 0.141 3 0 "[ . 1 . 2]"
1 16 LEU 5.251 0.169 3 0 "[ . 1 . 2]"
1 17 SER 0.286 0.114 20 0 "[ . 1 . 2]"
1 20 ASN 0.125 0.046 6 0 "[ . 1 . 2]"
1 21 PRO 0.100 0.066 9 0 "[ . 1 . 2]"
1 22 ARG 0.029 0.017 7 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 THR 0.841 0.127 20 0 "[ . 1 . 2]"
1 25 PHE 0.073 0.028 7 0 "[ . 1 . 2]"
1 26 LEU 0.682 0.176 19 0 "[ . 1 . 2]"
1 27 ILE 0.085 0.039 12 0 "[ . 1 . 2]"
1 28 ARG 0.012 0.012 2 0 "[ . 1 . 2]"
1 29 GLU 1.082 0.147 19 0 "[ . 1 . 2]"
1 30 SER 0.147 0.036 12 0 "[ . 1 . 2]"
1 31 GLU 1.038 0.147 19 0 "[ . 1 . 2]"
1 32 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.157 0.037 12 0 "[ . 1 . 2]"
1 35 GLY 0.234 0.037 12 0 "[ . 1 . 2]"
1 36 ALA 0.023 0.023 10 0 "[ . 1 . 2]"
1 37 TYR 0.033 0.022 10 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.375 0.071 6 0 "[ . 1 . 2]"
1 40 SER 0.023 0.014 14 0 "[ . 1 . 2]"
1 41 ILE 0.160 0.057 17 0 "[ . 1 . 2]"
1 42 ARG 1.101 0.127 20 0 "[ . 1 . 2]"
1 43 ASP 0.126 0.061 15 0 "[ . 1 . 2]"
1 44 TRP 0.327 0.084 14 0 "[ . 1 . 2]"
1 46 ASP 0.327 0.084 14 0 "[ . 1 . 2]"
1 47 MET 1.069 0.245 18 0 "[ . 1 . 2]"
1 48 LYS 0.306 0.083 8 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 1.478 0.169 3 0 "[ . 1 . 2]"
1 51 HIS 0.018 0.018 5 0 "[ . 1 . 2]"
1 52 VAL 0.697 0.130 17 0 "[ . 1 . 2]"
1 53 LYS 0.232 0.085 4 0 "[ . 1 . 2]"
1 54 HIS 0.123 0.057 18 0 "[ . 1 . 2]"
1 55 TYR 0.054 0.034 9 0 "[ . 1 . 2]"
1 56 LYS 0.176 0.073 1 0 "[ . 1 . 2]"
1 57 ILE 0.136 0.041 11 0 "[ . 1 . 2]"
1 58 ARG 0.620 0.069 15 0 "[ . 1 . 2]"
1 59 LYS 0.773 0.069 15 0 "[ . 1 . 2]"
1 60 LEU 0.282 0.094 17 0 "[ . 1 . 2]"
1 61 ASP 0.418 0.094 17 0 "[ . 1 . 2]"
1 62 ASN 0.057 0.023 9 0 "[ . 1 . 2]"
1 63 GLY 0.057 0.023 9 0 "[ . 1 . 2]"
1 65 TYR 0.012 0.008 13 0 "[ . 1 . 2]"
1 66 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 1.492 0.224 10 0 "[ . 1 . 2]"
1 70 ARG 2.506 0.272 15 0 "[ . 1 . 2]"
1 71 ALA 0.458 0.272 15 0 "[ . 1 . 2]"
1 72 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.004 0.004 15 0 "[ . 1 . 2]"
1 75 THR 0.004 0.004 15 0 "[ . 1 . 2]"
1 76 LEU 35.758 4.806 11 3 "[ *. 1+ . -2]"
1 77 GLN 0.026 0.015 10 0 "[ . 1 . 2]"
1 78 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 0.069 0.057 15 0 "[ . 1 . 2]"
1 80 VAL 1.659 0.508 11 1 "[ . 1+ . 2]"
1 81 GLN 0.012 0.012 15 0 "[ . 1 . 2]"
1 82 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 TYR 0.524 0.106 5 0 "[ . 1 . 2]"
1 84 SER 0.130 0.130 6 0 "[ . 1 . 2]"
1 85 GLU 0.362 0.084 2 0 "[ . 1 . 2]"
1 86 ARG 0.158 0.130 6 0 "[ . 1 . 2]"
1 87 ALA 0.650 0.079 12 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLY 0.156 0.031 17 0 "[ . 1 . 2]"
1 90 LEU 0.176 0.071 6 0 "[ . 1 . 2]"
1 91 CYS 0.101 0.085 4 0 "[ . 1 . 2]"
1 92 CYS 0.406 0.076 17 0 "[ . 1 . 2]"
1 93 ARG 2.340 0.262 6 0 "[ . 1 . 2]"
1 94 LEU 0.170 0.057 15 0 "[ . 1 . 2]"
1 95 VAL 1.126 0.117 7 0 "[ . 1 . 2]"
1 96 VAL 1.420 0.117 7 0 "[ . 1 . 2]"
1 97 PRO 0.266 0.076 2 0 "[ . 1 . 2]"
1 98 CYS 0.014 0.014 9 0 "[ . 1 . 2]"
1 99 HIS 0.134 0.061 5 0 "[ . 1 . 2]"
1 100 LYS 0.791 0.117 15 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 1 TRP HE1 1 80 VAL QG 2.805 . 3.810 2.793 1.781 3.868 0.058 19 0 "[ . 1 . 2]" 2
2 1 1 TRP HZ3 1 76 LEU QB 3.060 . 4.320 4.541 2.871 8.839 4.519 11 3 "[ -. 1+ . *2]" 2
3 1 1 TRP HZ3 1 76 LEU QD 3.095 . 4.390 3.232 1.979 8.185 3.795 11 3 "[ *. 1+ . -2]" 2
4 1 1 TRP HZ2 1 77 GLN QG 2.965 . 4.130 3.870 3.364 4.145 0.015 10 0 "[ . 1 . 2]" 2
5 1 1 TRP HZ2 1 80 VAL QG 3.030 . 4.260 2.426 1.758 4.768 0.508 11 1 "[ . 1+ . 2]" 2
6 1 1 TRP HH2 1 76 LEU QD 2.815 . 3.830 3.393 1.918 8.636 4.806 11 3 "[ *. 1+ . -2]" 2
7 1 2 TYR H 1 2 TYR QB 2.405 . 3.010 2.552 1.909 3.103 0.093 11 0 "[ . 1 . 2]" 2
8 1 3 PHE QB 1 6 LEU QD 2.740 . 3.680 2.795 2.045 3.894 0.214 14 0 "[ . 1 . 2]" 2
9 1 3 PHE QB 1 26 LEU MD1 3.245 . 4.690 3.512 2.215 4.866 0.176 19 0 "[ . 1 . 2]" 2
10 1 3 PHE QD 1 6 LEU QD 2.610 . 3.420 3.364 2.803 3.520 0.100 15 0 "[ . 1 . 2]" 2
11 1 3 PHE QE 1 98 CYS QB 2.905 . 4.010 2.709 2.044 3.920 . 0 0 "[ . 1 . 2]" 2
12 1 3 PHE HZ 1 98 CYS QB 3.180 . 4.560 3.156 2.022 4.574 0.014 9 0 "[ . 1 . 2]" 2
13 1 4 GLY QA 1 5 LYS H 2.410 . 3.020 2.216 2.068 2.311 . 0 0 "[ . 1 . 2]" 2
14 1 4 GLY QA 1 6 LEU H 3.570 . 5.340 4.417 3.851 4.848 . 0 0 "[ . 1 . 2]" 2
15 1 4 GLY QA 1 29 GLU H 3.570 . 5.340 4.256 2.089 5.304 . 0 0 "[ . 1 . 2]" 2
16 1 5 LYS H 1 5 LYS QB 2.440 . 3.080 2.352 2.243 2.766 . 0 0 "[ . 1 . 2]" 2
17 1 5 LYS H 1 5 LYS QG 2.985 . 4.170 3.993 3.903 4.084 . 0 0 "[ . 1 . 2]" 2
18 1 5 LYS HA 1 5 LYS QD 3.225 . 4.650 4.036 2.073 4.296 . 0 0 "[ . 1 . 2]" 2
19 1 5 LYS QB 1 5 LYS QE 2.875 . 3.950 2.535 1.891 3.817 . 0 0 "[ . 1 . 2]" 2
20 1 5 LYS QE 1 5 LYS QG 2.540 . 3.280 2.352 2.114 2.855 . 0 0 "[ . 1 . 2]" 2
21 1 5 LYS QG 1 6 LEU H 2.795 . 3.790 3.516 3.187 3.802 0.012 17 0 "[ . 1 . 2]" 2
22 1 5 LYS QG 1 29 GLU HB2 2.795 . 3.790 2.529 2.012 3.818 0.028 20 0 "[ . 1 . 2]" 2
23 1 6 LEU H 1 28 ARG QB 2.765 . 3.730 2.520 2.112 2.866 . 0 0 "[ . 1 . 2]" 2
24 1 6 LEU HA 1 6 LEU QD 2.640 . 3.480 3.355 3.176 3.405 . 0 0 "[ . 1 . 2]" 2
25 1 6 LEU HB2 1 6 LEU QD 2.430 . 3.060 2.109 2.007 2.421 . 0 0 "[ . 1 . 2]" 2
26 1 6 LEU HB2 1 28 ARG QB 3.570 . 5.340 4.889 4.596 5.352 0.012 2 0 "[ . 1 . 2]" 2
27 1 6 LEU HB3 1 28 ARG QB 3.570 . 5.340 4.584 4.343 4.968 . 0 0 "[ . 1 . 2]" 2
28 1 6 LEU QD 1 7 GLY H 2.515 . 3.230 3.349 3.206 3.433 0.203 10 0 "[ . 1 . 2]" 2
29 1 6 LEU QD 1 8 ARG HA 3.445 . 5.090 4.680 3.631 5.119 0.029 14 0 "[ . 1 . 2]" 2
30 1 6 LEU QD 1 9 LYS H 3.620 . 5.440 5.459 5.012 5.535 0.095 20 0 "[ . 1 . 2]" 2
31 1 6 LEU QD 1 10 ASP H 2.985 . 4.170 3.895 3.710 4.132 . 0 0 "[ . 1 . 2]" 2
32 1 6 LEU QD 1 10 ASP HB2 2.655 . 3.510 2.591 1.916 3.561 0.051 11 0 "[ . 1 . 2]" 2
33 1 6 LEU QD 1 10 ASP HB3 2.545 . 3.290 2.114 1.861 2.294 . 0 0 "[ . 1 . 2]" 2
34 1 6 LEU QD 1 11 ALA H 2.790 . 3.780 2.611 2.132 3.003 . 0 0 "[ . 1 . 2]" 2
35 1 6 LEU QD 1 11 ALA HA 2.745 . 3.690 2.328 2.073 3.127 . 0 0 "[ . 1 . 2]" 2
36 1 6 LEU QD 1 26 LEU MD1 2.345 . 2.890 2.394 1.981 2.859 . 0 0 "[ . 1 . 2]" 2
37 1 6 LEU QD 1 26 LEU MD2 2.740 . 3.680 2.913 2.452 3.704 0.024 11 0 "[ . 1 . 2]" 2
38 1 6 LEU QD 1 28 ARG QB 2.575 . 3.350 1.975 1.869 2.760 . 0 0 "[ . 1 . 2]" 2
39 1 7 GLY QA 1 9 LYS H 3.005 . 4.210 3.287 3.023 3.526 . 0 0 "[ . 1 . 2]" 2
40 1 7 GLY QA 1 10 ASP H 2.895 . 3.990 3.439 3.160 3.649 . 0 0 "[ . 1 . 2]" 2
41 1 7 GLY QA 1 10 ASP HB2 2.985 . 4.170 3.801 3.389 4.196 0.026 9 0 "[ . 1 . 2]" 2
42 1 8 ARG H 1 8 ARG QB 2.475 . 3.150 2.545 2.238 2.743 . 0 0 "[ . 1 . 2]" 2
43 1 8 ARG H 1 8 ARG QD 3.255 . 4.710 3.975 3.091 4.425 . 0 0 "[ . 1 . 2]" 2
44 1 8 ARG QB 1 9 LYS H 2.935 . 4.070 3.474 2.555 3.702 . 0 0 "[ . 1 . 2]" 2
45 1 8 ARG QB 1 12 GLU H 3.490 . 5.180 4.523 4.133 5.230 0.050 14 0 "[ . 1 . 2]" 2
46 1 8 ARG QB 1 12 GLU QG 3.360 . 4.920 3.337 2.745 4.884 . 0 0 "[ . 1 . 2]" 2
47 1 8 ARG QG 1 9 LYS H 3.175 . 4.550 2.437 1.870 3.447 . 0 0 "[ . 1 . 2]" 2
48 1 8 ARG QG 1 9 LYS QG 2.805 . 3.810 2.872 1.927 3.850 0.040 16 0 "[ . 1 . 2]" 2
49 1 9 LYS H 1 9 LYS QG 2.550 . 3.300 2.334 2.022 2.644 . 0 0 "[ . 1 . 2]" 2
50 1 9 LYS H 1 9 LYS QD 2.970 . 4.140 3.877 3.661 4.253 0.113 17 0 "[ . 1 . 2]" 2
51 1 9 LYS HA 1 9 LYS QD 3.220 . 4.640 3.797 1.865 4.311 . 0 0 "[ . 1 . 2]" 2
52 1 9 LYS QE 1 9 LYS QG 2.565 . 3.330 2.313 2.127 2.786 . 0 0 "[ . 1 . 2]" 2
53 1 9 LYS QG 1 10 ASP H 3.290 . 4.780 3.538 2.020 4.422 . 0 0 "[ . 1 . 2]" 2
54 1 11 ALA H 1 12 GLU QG 3.505 . 5.210 4.511 4.269 5.282 0.072 20 0 "[ . 1 . 2]" 2
55 1 11 ALA MB 1 15 LEU QD 2.920 . 4.040 2.894 2.421 3.303 . 0 0 "[ . 1 . 2]" 2
56 1 11 ALA MB 1 28 ARG QB 2.985 . 4.170 3.190 2.704 3.749 . 0 0 "[ . 1 . 2]" 2
57 1 11 ALA MB 1 28 ARG QD 2.685 . 3.570 2.326 1.959 3.244 . 0 0 "[ . 1 . 2]" 2
58 1 11 ALA MB 1 52 VAL QG 3.380 . 4.960 3.522 2.626 4.262 . 0 0 "[ . 1 . 2]" 2
59 1 12 GLU H 1 12 GLU QG 2.610 . 3.420 2.330 2.116 3.233 . 0 0 "[ . 1 . 2]" 2
60 1 12 GLU H 1 15 LEU QD 2.995 . 4.190 4.043 3.513 4.245 0.055 2 0 "[ . 1 . 2]" 2
61 1 12 GLU H 1 16 LEU QD 3.435 . 5.070 5.100 4.764 5.168 0.098 4 0 "[ . 1 . 2]" 2
62 1 12 GLU H 1 52 VAL QG 3.280 . 4.760 3.795 3.334 4.337 . 0 0 "[ . 1 . 2]" 2
63 1 12 GLU HA 1 12 GLU QG 2.720 . 3.640 2.367 2.222 2.499 . 0 0 "[ . 1 . 2]" 2
64 1 12 GLU HA 1 15 LEU QD 2.750 . 3.700 2.524 2.156 3.448 . 0 0 "[ . 1 . 2]" 2
65 1 12 GLU HA 1 16 LEU QD 3.115 . 4.430 3.416 2.533 3.795 . 0 0 "[ . 1 . 2]" 2
66 1 12 GLU HA 1 52 VAL QG 2.410 . 3.020 2.002 1.793 2.552 0.007 18 0 "[ . 1 . 2]" 2
67 1 12 GLU HB2 1 16 LEU QD 3.005 . 4.210 3.892 3.586 4.230 0.020 6 0 "[ . 1 . 2]" 2
68 1 12 GLU HB3 1 16 LEU QD 3.085 . 4.370 2.577 2.239 3.027 . 0 0 "[ . 1 . 2]" 2
69 1 12 GLU QG 1 13 ARG H 3.225 . 4.650 4.150 3.927 4.549 . 0 0 "[ . 1 . 2]" 2
70 1 12 GLU QG 1 16 LEU QD 3.020 . 4.240 3.572 3.127 3.984 . 0 0 "[ . 1 . 2]" 2
71 1 12 GLU QG 1 52 VAL H 3.290 . 4.780 4.253 3.240 4.782 0.002 14 0 "[ . 1 . 2]" 2
72 1 12 GLU QG 1 52 VAL HB 2.595 . 3.390 2.194 1.832 3.520 0.130 17 0 "[ . 1 . 2]" 2
73 1 12 GLU QG 1 52 VAL QG 2.445 . 3.090 2.011 1.756 2.660 0.044 17 0 "[ . 1 . 2]" 2
74 1 13 ARG H 1 13 ARG QD 3.290 . 4.780 3.942 3.455 4.255 . 0 0 "[ . 1 . 2]" 2
75 1 13 ARG H 1 15 LEU QD 3.585 . 5.370 5.043 4.453 5.409 0.039 18 0 "[ . 1 . 2]" 2
76 1 13 ARG H 1 16 LEU QD 3.200 . 4.600 4.415 4.111 4.645 0.045 9 0 "[ . 1 . 2]" 2
77 1 13 ARG HA 1 16 LEU QD 3.015 . 4.230 3.549 2.959 4.189 . 0 0 "[ . 1 . 2]" 2
78 1 13 ARG QB 1 13 ARG QD 2.735 . 3.670 2.232 2.037 2.386 . 0 0 "[ . 1 . 2]" 2
79 1 13 ARG HG2 1 14 GLN QG 3.235 . 4.670 3.171 2.683 3.620 . 0 0 "[ . 1 . 2]" 2
80 1 14 GLN H 1 14 GLN QG 2.640 . 3.480 2.599 2.235 2.946 . 0 0 "[ . 1 . 2]" 2
81 1 14 GLN H 1 15 LEU QD 3.620 . 5.440 4.275 3.128 4.752 . 0 0 "[ . 1 . 2]" 2
82 1 14 GLN H 1 16 LEU QD 3.500 . 5.200 5.109 4.865 5.260 0.060 2 0 "[ . 1 . 2]" 2
83 1 14 GLN HA 1 14 GLN QE 3.115 . 4.430 2.996 1.707 4.125 0.093 18 0 "[ . 1 . 2]" 2
84 1 14 GLN HB2 1 15 LEU QD 3.485 . 5.170 3.720 2.293 4.260 . 0 0 "[ . 1 . 2]" 2
85 1 14 GLN HB3 1 14 GLN QE 2.980 . 4.160 2.410 1.849 3.617 . 0 0 "[ . 1 . 2]" 2
86 1 14 GLN QE 1 14 GLN QG 2.505 . 3.210 2.445 2.016 2.799 . 0 0 "[ . 1 . 2]" 2
87 1 14 GLN QE 1 17 SER QB 3.280 . 4.760 4.312 3.121 4.874 0.114 20 0 "[ . 1 . 2]" 2
88 1 14 GLN QE 1 100 LYS H 3.415 . 5.030 4.845 4.214 5.113 0.083 11 0 "[ . 1 . 2]" 2
89 1 14 GLN QE 1 100 LYS HA 2.945 . 4.090 3.066 1.819 4.111 0.021 6 0 "[ . 1 . 2]" 2
90 1 14 GLN QE 1 100 LYS QB 3.490 . 5.180 3.315 1.961 4.975 . 0 0 "[ . 1 . 2]" 2
91 1 14 GLN QE 1 100 LYS QG 2.930 . 4.060 3.370 1.793 4.093 0.033 4 0 "[ . 1 . 2]" 2
92 1 14 GLN QE 1 100 LYS QD 3.490 . 5.180 3.156 1.949 4.833 . 0 0 "[ . 1 . 2]" 2
93 1 15 LEU H 1 15 LEU QD 2.705 . 3.610 2.916 2.007 3.258 . 0 0 "[ . 1 . 2]" 2
94 1 15 LEU H 1 16 LEU QD 3.005 . 4.210 4.195 3.741 4.351 0.141 3 0 "[ . 1 . 2]" 2
95 1 15 LEU HA 1 15 LEU QD 2.450 . 3.100 2.068 2.023 2.146 . 0 0 "[ . 1 . 2]" 2
96 1 15 LEU HA 1 20 ASN QD 3.120 . 4.440 3.223 2.306 4.365 . 0 0 "[ . 1 . 2]" 2
97 1 15 LEU HA 1 52 VAL QG 3.375 . 4.950 4.622 4.190 5.005 0.055 6 0 "[ . 1 . 2]" 2
98 1 15 LEU HB2 1 16 LEU QD 2.480 . 3.160 3.009 2.117 3.298 0.138 14 0 "[ . 1 . 2]" 2
99 1 15 LEU HB3 1 15 LEU QD 2.445 . 3.090 2.187 2.075 2.515 . 0 0 "[ . 1 . 2]" 2
100 1 15 LEU HB3 1 42 ARG QG 3.065 . 4.330 3.479 1.980 4.033 . 0 0 "[ . 1 . 2]" 2
101 1 15 LEU HB3 1 42 ARG QD 3.205 . 4.610 3.194 2.169 4.617 0.007 6 0 "[ . 1 . 2]" 2
102 1 15 LEU HB3 1 52 VAL QG 2.675 . 3.550 2.961 2.494 3.441 . 0 0 "[ . 1 . 2]" 2
103 1 15 LEU QD 1 16 LEU H 3.155 . 4.510 3.942 3.600 4.161 . 0 0 "[ . 1 . 2]" 2
104 1 15 LEU QD 1 24 THR H 3.260 . 4.720 4.369 4.177 4.584 . 0 0 "[ . 1 . 2]" 2
105 1 15 LEU QD 1 24 THR HB 2.830 . 3.860 2.731 2.020 3.148 . 0 0 "[ . 1 . 2]" 2
106 1 15 LEU QD 1 24 THR MG 2.440 . 3.080 2.081 1.997 2.222 . 0 0 "[ . 1 . 2]" 2
107 1 15 LEU QD 1 25 PHE H 2.990 . 4.180 3.513 3.334 3.837 . 0 0 "[ . 1 . 2]" 2
108 1 15 LEU QD 1 25 PHE HA 2.800 . 3.800 2.560 2.366 2.952 . 0 0 "[ . 1 . 2]" 2
109 1 15 LEU QD 1 26 LEU H 2.855 . 3.910 2.884 2.586 3.442 . 0 0 "[ . 1 . 2]" 2
110 1 15 LEU QD 1 26 LEU HB3 2.970 . 4.140 2.774 1.986 3.218 . 0 0 "[ . 1 . 2]" 2
111 1 15 LEU QD 1 26 LEU HG 2.830 . 3.860 2.253 1.973 2.838 . 0 0 "[ . 1 . 2]" 2
112 1 15 LEU QD 1 26 LEU MD2 2.485 . 3.170 2.076 1.862 2.378 . 0 0 "[ . 1 . 2]" 2
113 1 15 LEU QD 1 40 SER QB 2.755 . 3.710 2.229 1.888 2.497 . 0 0 "[ . 1 . 2]" 2
114 1 15 LEU QD 1 41 ILE H 3.210 . 4.620 3.830 3.264 4.530 . 0 0 "[ . 1 . 2]" 2
115 1 15 LEU QD 1 41 ILE HA 3.130 . 4.460 3.181 2.688 3.686 . 0 0 "[ . 1 . 2]" 2
116 1 15 LEU QD 1 42 ARG H 2.750 . 3.700 2.908 2.563 3.465 . 0 0 "[ . 1 . 2]" 2
117 1 15 LEU QD 1 42 ARG HB2 2.760 . 3.720 2.798 1.861 3.459 . 0 0 "[ . 1 . 2]" 2
118 1 15 LEU QD 1 42 ARG QG 3.475 . 5.150 4.105 2.907 4.778 . 0 0 "[ . 1 . 2]" 2
119 1 15 LEU QD 1 52 VAL HB 2.995 . 4.190 3.931 3.224 4.170 . 0 0 "[ . 1 . 2]" 2
120 1 15 LEU QD 1 52 VAL QG 2.280 . 2.760 1.921 1.797 2.165 0.003 4 0 "[ . 1 . 2]" 2
121 1 15 LEU QD 1 53 LYS H 3.620 . 5.440 4.667 4.084 5.452 0.012 19 0 "[ . 1 . 2]" 2
122 1 15 LEU QD 1 98 CYS H 3.620 . 5.440 3.823 3.522 4.180 . 0 0 "[ . 1 . 2]" 2
123 1 15 LEU QD 1 98 CYS HA 3.250 . 4.700 3.819 2.890 4.487 . 0 0 "[ . 1 . 2]" 2
124 1 15 LEU QD 1 98 CYS QB 3.020 . 4.240 2.165 1.843 3.007 . 0 0 "[ . 1 . 2]" 2
125 1 16 LEU H 1 16 LEU QD 2.540 . 3.280 2.903 2.338 3.190 . 0 0 "[ . 1 . 2]" 2
126 1 16 LEU HA 1 16 LEU QD 2.510 . 3.220 2.155 2.037 2.495 . 0 0 "[ . 1 . 2]" 2
127 1 16 LEU HB2 1 16 LEU QD 2.435 . 3.070 2.269 2.131 2.345 . 0 0 "[ . 1 . 2]" 2
128 1 16 LEU HB2 1 52 VAL QG 3.200 . 4.600 4.249 3.908 4.617 0.017 1 0 "[ . 1 . 2]" 2
129 1 16 LEU HB3 1 16 LEU QD 2.365 . 2.930 2.171 2.119 2.352 . 0 0 "[ . 1 . 2]" 2
130 1 16 LEU QD 1 17 SER H 3.160 . 4.520 4.267 4.092 4.367 . 0 0 "[ . 1 . 2]" 2
131 1 16 LEU QD 1 42 ARG QG 2.840 . 3.880 2.162 1.865 3.926 0.046 10 0 "[ . 1 . 2]" 2
132 1 16 LEU QD 1 50 ASP H 3.290 . 4.780 4.842 4.707 4.949 0.169 3 0 "[ . 1 . 2]" 2
133 1 16 LEU QD 1 50 ASP HB2 3.155 . 4.510 4.033 3.036 4.595 0.085 17 0 "[ . 1 . 2]" 2
134 1 16 LEU QD 1 50 ASP HB3 3.005 . 4.210 3.326 1.807 4.118 . 0 0 "[ . 1 . 2]" 2
135 1 16 LEU QD 1 51 HIS H 2.795 . 3.790 3.296 3.004 3.808 0.018 5 0 "[ . 1 . 2]" 2
136 1 16 LEU QD 1 51 HIS QB 3.305 . 4.810 4.064 3.521 4.622 . 0 0 "[ . 1 . 2]" 2
137 1 16 LEU QD 1 52 VAL HB 2.840 . 3.880 3.612 3.221 3.987 0.107 17 0 "[ . 1 . 2]" 2
138 1 16 LEU QD 1 52 VAL QG 2.390 . 2.980 1.859 1.761 2.131 0.039 17 0 "[ . 1 . 2]" 2
139 1 17 SER H 1 17 SER QB 2.425 . 3.050 2.407 2.232 2.654 . 0 0 "[ . 1 . 2]" 2
140 1 17 SER QB 1 20 ASN QD 3.010 . 4.220 2.836 1.986 4.266 0.046 6 0 "[ . 1 . 2]" 2
141 1 20 ASN H 1 20 ASN QB 2.470 . 3.140 2.693 2.397 3.180 0.040 10 0 "[ . 1 . 2]" 2
142 1 20 ASN HA 1 21 PRO QD 2.590 . 3.380 1.988 1.914 2.069 . 0 0 "[ . 1 . 2]" 2
143 1 20 ASN HA 1 96 VAL QG 3.090 . 4.380 3.631 2.762 4.088 . 0 0 "[ . 1 . 2]" 2
144 1 20 ASN QB 1 20 ASN QD 2.455 . 3.110 2.130 2.023 2.200 . 0 0 "[ . 1 . 2]" 2
145 1 20 ASN QB 1 21 PRO QD 3.490 . 5.180 2.804 2.138 3.541 . 0 0 "[ . 1 . 2]" 2
146 1 20 ASN QB 1 24 THR HB 3.085 . 4.370 3.449 2.535 4.398 0.028 18 0 "[ . 1 . 2]" 2
147 1 21 PRO HB2 1 22 ARG QD 3.050 . 4.300 3.309 2.268 4.317 0.017 7 0 "[ . 1 . 2]" 2
148 1 21 PRO HB2 1 95 VAL QG 3.370 . 4.940 3.579 2.925 4.723 . 0 0 "[ . 1 . 2]" 2
149 1 21 PRO HB2 1 96 VAL QG 3.135 . 4.470 4.145 3.601 4.536 0.066 9 0 "[ . 1 . 2]" 2
150 1 21 PRO HB3 1 96 VAL QG 3.350 . 4.900 4.535 4.184 4.849 . 0 0 "[ . 1 . 2]" 2
151 1 21 PRO QG 1 22 ARG H 3.170 . 4.540 4.124 3.939 4.552 0.012 11 0 "[ . 1 . 2]" 2
152 1 21 PRO QG 1 95 VAL QG 2.875 . 3.950 2.757 2.043 3.850 . 0 0 "[ . 1 . 2]" 2
153 1 21 PRO QG 1 96 VAL QG 2.345 . 2.890 2.284 1.957 2.650 . 0 0 "[ . 1 . 2]" 2
154 1 21 PRO QD 1 96 VAL QG 2.480 . 3.160 2.114 1.794 2.493 0.006 6 0 "[ . 1 . 2]" 2
155 1 22 ARG H 1 22 ARG QB 2.420 . 3.040 2.575 2.372 2.917 . 0 0 "[ . 1 . 2]" 2
156 1 22 ARG HA 1 22 ARG QD 3.120 . 4.440 3.661 2.817 4.095 . 0 0 "[ . 1 . 2]" 2
157 1 22 ARG QB 1 22 ARG QD 2.550 . 3.300 2.501 2.157 2.930 . 0 0 "[ . 1 . 2]" 2
158 1 23 GLY H 1 42 ARG QG 3.570 . 5.340 3.440 3.019 4.817 . 0 0 "[ . 1 . 2]" 2
159 1 23 GLY H 1 95 VAL QG 3.270 . 4.740 4.279 4.103 4.477 . 0 0 "[ . 1 . 2]" 2
160 1 23 GLY HA2 1 95 VAL QG 2.720 . 3.640 3.246 2.575 3.568 . 0 0 "[ . 1 . 2]" 2
161 1 23 GLY HA3 1 95 VAL QG 2.510 . 3.220 2.069 1.903 2.205 . 0 0 "[ . 1 . 2]" 2
162 1 24 THR H 1 42 ARG QG 2.845 . 3.890 3.881 3.486 4.017 0.127 20 0 "[ . 1 . 2]" 2
163 1 24 THR H 1 42 ARG QD 3.570 . 5.340 3.414 2.841 5.314 . 0 0 "[ . 1 . 2]" 2
164 1 24 THR H 1 95 VAL QG 3.150 . 4.500 4.213 3.434 4.515 0.015 15 0 "[ . 1 . 2]" 2
165 1 24 THR H 1 96 VAL QG 3.100 . 4.400 3.797 3.282 4.268 . 0 0 "[ . 1 . 2]" 2
166 1 24 THR HA 1 95 VAL QG 3.620 . 5.440 4.169 3.174 4.657 . 0 0 "[ . 1 . 2]" 2
167 1 24 THR HA 1 96 VAL QG 2.590 . 3.380 2.364 1.963 2.780 . 0 0 "[ . 1 . 2]" 2
168 1 24 THR HB 1 96 VAL QG 3.465 . 5.130 4.026 3.784 4.565 . 0 0 "[ . 1 . 2]" 2
169 1 24 THR MG 1 98 CYS QB 2.915 . 4.030 2.422 1.988 3.612 . 0 0 "[ . 1 . 2]" 2
170 1 25 PHE H 1 96 VAL QG 3.080 . 4.360 3.751 3.290 4.133 . 0 0 "[ . 1 . 2]" 2
171 1 25 PHE HA 1 39 LEU QD 3.290 . 4.780 4.025 3.833 4.347 . 0 0 "[ . 1 . 2]" 2
172 1 25 PHE QB 1 26 LEU H 2.665 . 3.530 2.561 2.377 2.688 . 0 0 "[ . 1 . 2]" 2
173 1 25 PHE QB 1 39 LEU QD 2.725 . 3.650 2.234 2.014 2.487 . 0 0 "[ . 1 . 2]" 2
174 1 25 PHE QB 1 41 ILE MD 3.210 . 4.620 3.596 3.266 3.913 . 0 0 "[ . 1 . 2]" 2
175 1 25 PHE QB 1 42 ARG H 3.335 . 4.870 4.073 3.744 4.412 . 0 0 "[ . 1 . 2]" 2
176 1 25 PHE QB 1 94 LEU HB3 3.065 . 4.330 3.642 3.287 4.070 . 0 0 "[ . 1 . 2]" 2
177 1 25 PHE QB 1 94 LEU MD2 2.760 . 3.720 2.045 1.861 2.269 . 0 0 "[ . 1 . 2]" 2
178 1 25 PHE HZ 1 80 VAL QG 2.885 . 3.970 3.604 2.972 3.998 0.028 7 0 "[ . 1 . 2]" 2
179 1 26 LEU H 1 39 LEU QD 2.710 . 3.620 3.243 2.962 3.622 0.002 18 0 "[ . 1 . 2]" 2
180 1 26 LEU HB2 1 98 CYS QB 3.095 . 4.390 3.333 2.987 3.919 . 0 0 "[ . 1 . 2]" 2
181 1 26 LEU MD1 1 28 ARG QD 2.800 . 3.800 2.987 2.383 3.701 . 0 0 "[ . 1 . 2]" 2
182 1 26 LEU MD1 1 40 SER QB 2.950 . 4.100 2.681 2.219 3.726 . 0 0 "[ . 1 . 2]" 2
183 1 26 LEU MD2 1 98 CYS QB 2.755 . 3.710 2.432 2.120 3.103 . 0 0 "[ . 1 . 2]" 2
184 1 27 ILE H 1 39 LEU QD 3.385 . 4.970 4.433 4.064 4.725 . 0 0 "[ . 1 . 2]" 2
185 1 27 ILE HA 1 39 LEU QD 3.030 . 4.260 3.488 3.188 3.752 . 0 0 "[ . 1 . 2]" 2
186 1 27 ILE HB 1 80 VAL QG 3.475 . 5.150 4.382 3.987 4.683 . 0 0 "[ . 1 . 2]" 2
187 1 27 ILE MG 1 37 TYR QB 2.680 . 3.560 2.036 1.850 2.368 . 0 0 "[ . 1 . 2]" 2
188 1 27 ILE MG 1 76 LEU QB 3.490 . 5.180 4.288 3.228 4.712 . 0 0 "[ . 1 . 2]" 2
189 1 27 ILE MG 1 76 LEU QD 2.510 . 3.220 2.019 1.761 2.899 0.039 12 0 "[ . 1 . 2]" 2
190 1 27 ILE HG12 1 39 LEU QD 2.705 . 3.610 2.264 2.107 2.713 . 0 0 "[ . 1 . 2]" 2
191 1 27 ILE HG12 1 80 VAL QG 3.260 . 4.720 3.785 3.502 4.046 . 0 0 "[ . 1 . 2]" 2
192 1 27 ILE HG13 1 39 LEU QD 2.630 . 3.460 2.472 2.029 2.713 . 0 0 "[ . 1 . 2]" 2
193 1 27 ILE HG13 1 80 VAL QG 3.105 . 4.410 3.263 2.773 3.787 . 0 0 "[ . 1 . 2]" 2
194 1 27 ILE MD 1 39 LEU QD 2.530 . 3.260 2.318 2.070 2.485 . 0 0 "[ . 1 . 2]" 2
195 1 27 ILE MD 1 76 LEU QB 3.135 . 4.470 3.711 2.032 4.253 . 0 0 "[ . 1 . 2]" 2
196 1 27 ILE MD 1 76 LEU QD 2.520 . 3.240 2.220 1.777 2.612 0.023 17 0 "[ . 1 . 2]" 2
197 1 27 ILE MD 1 79 LEU QD 2.975 . 4.150 2.743 2.143 3.351 . 0 0 "[ . 1 . 2]" 2
198 1 27 ILE MD 1 80 VAL QG 2.365 . 2.930 1.939 1.797 2.107 0.003 19 0 "[ . 1 . 2]" 2
199 1 28 ARG H 1 28 ARG QB 2.740 . 3.680 2.719 2.612 2.961 . 0 0 "[ . 1 . 2]" 2
200 1 28 ARG H 1 28 ARG QD 2.990 . 4.180 3.783 3.647 3.948 . 0 0 "[ . 1 . 2]" 2
201 1 28 ARG HG2 1 38 SER QB 2.715 . 3.630 2.237 1.915 2.742 . 0 0 "[ . 1 . 2]" 2
202 1 28 ARG HG3 1 38 SER QB 3.085 . 4.370 3.021 2.049 3.421 . 0 0 "[ . 1 . 2]" 2
203 1 29 GLU H 1 29 GLU QG 2.935 . 4.070 2.725 2.399 3.978 . 0 0 "[ . 1 . 2]" 2
204 1 29 GLU HA 1 29 GLU QG 2.700 . 3.600 2.368 2.116 2.737 . 0 0 "[ . 1 . 2]" 2
205 1 29 GLU HB2 1 31 GLU QG 3.120 . 4.440 4.358 3.736 4.570 0.130 12 0 "[ . 1 . 2]" 2
206 1 29 GLU HB3 1 31 GLU QG 3.190 . 4.580 4.349 3.177 4.727 0.147 19 0 "[ . 1 . 2]" 2
207 1 29 GLU QG 1 30 SER H 3.175 . 4.550 3.799 2.392 4.565 0.015 9 0 "[ . 1 . 2]" 2
208 1 29 GLU QG 1 37 TYR QE 3.025 . 4.250 2.653 2.067 3.763 . 0 0 "[ . 1 . 2]" 2
209 1 30 SER H 1 30 SER QB 2.500 . 3.200 2.386 2.214 2.573 . 0 0 "[ . 1 . 2]" 2
210 1 30 SER H 1 31 GLU QG 3.570 . 5.340 4.971 4.469 5.266 . 0 0 "[ . 1 . 2]" 2
211 1 30 SER H 1 37 TYR QB 3.230 . 4.660 4.484 4.192 4.682 0.022 10 0 "[ . 1 . 2]" 2
212 1 30 SER QB 1 31 GLU H 3.115 . 4.430 3.411 3.135 3.791 . 0 0 "[ . 1 . 2]" 2
213 1 30 SER QB 1 32 THR H 3.570 . 5.340 3.233 2.594 4.151 . 0 0 "[ . 1 . 2]" 2
214 1 30 SER QB 1 33 THR H 2.840 . 3.880 2.422 1.894 2.945 . 0 0 "[ . 1 . 2]" 2
215 1 30 SER QB 1 35 GLY H 3.510 . 5.220 4.826 4.389 5.256 0.036 12 0 "[ . 1 . 2]" 2
216 1 30 SER QB 1 36 ALA H 2.715 . 3.630 2.904 2.533 3.653 0.023 10 0 "[ . 1 . 2]" 2
217 1 31 GLU H 1 31 GLU QB 2.610 . 3.420 2.526 2.336 2.953 . 0 0 "[ . 1 . 2]" 2
218 1 31 GLU HA 1 31 GLU QG 2.565 . 3.330 2.605 2.303 3.159 . 0 0 "[ . 1 . 2]" 2
219 1 31 GLU QB 1 32 THR H 2.795 . 3.790 2.882 2.373 3.306 . 0 0 "[ . 1 . 2]" 2
220 1 31 GLU QB 1 32 THR HA 3.225 . 4.650 3.924 3.774 4.197 . 0 0 "[ . 1 . 2]" 2
221 1 31 GLU QB 1 32 THR MG 2.680 . 3.560 2.939 2.630 3.370 . 0 0 "[ . 1 . 2]" 2
222 1 31 GLU QG 1 32 THR H 3.155 . 4.510 3.976 3.575 4.276 . 0 0 "[ . 1 . 2]" 2
223 1 34 LYS HA 1 34 LYS QG 2.745 . 3.690 2.643 2.365 3.004 . 0 0 "[ . 1 . 2]" 2
224 1 34 LYS HA 1 34 LYS QD 3.100 . 4.400 3.317 1.931 4.270 . 0 0 "[ . 1 . 2]" 2
225 1 34 LYS HA 1 35 GLY QA 3.080 . 4.360 3.872 3.814 3.905 . 0 0 "[ . 1 . 2]" 2
226 1 34 LYS QE 1 34 LYS QG 2.550 . 3.300 2.331 2.107 2.838 . 0 0 "[ . 1 . 2]" 2
227 1 34 LYS QG 1 35 GLY H 2.740 . 3.680 3.598 3.392 3.717 0.037 12 0 "[ . 1 . 2]" 2
228 1 35 GLY QA 1 36 ALA H 2.415 . 3.030 2.741 2.671 2.856 . 0 0 "[ . 1 . 2]" 2
229 1 37 TYR H 1 37 TYR QB 2.720 . 3.640 2.649 2.572 2.702 . 0 0 "[ . 1 . 2]" 2
230 1 37 TYR QB 1 38 SER H 2.575 . 3.350 2.451 2.152 2.829 . 0 0 "[ . 1 . 2]" 2
231 1 37 TYR QB 1 57 ILE H 3.435 . 5.070 3.891 3.640 4.203 . 0 0 "[ . 1 . 2]" 2
232 1 37 TYR QB 1 57 ILE MG 2.640 . 3.480 2.850 2.403 3.424 . 0 0 "[ . 1 . 2]" 2
233 1 37 TYR QB 1 57 ILE MD 2.805 . 3.810 2.082 1.889 2.274 . 0 0 "[ . 1 . 2]" 2
234 1 37 TYR QD 1 76 LEU QD 2.710 . 3.620 2.777 2.448 3.070 . 0 0 "[ . 1 . 2]" 2
235 1 37 TYR QE 1 76 LEU QD 3.160 . 4.520 3.243 2.774 3.651 . 0 0 "[ . 1 . 2]" 2
236 1 38 SER H 1 38 SER QB 2.630 . 3.460 2.619 2.450 2.760 . 0 0 "[ . 1 . 2]" 2
237 1 38 SER QB 1 39 LEU H 2.865 . 3.930 3.537 3.253 3.928 . 0 0 "[ . 1 . 2]" 2
238 1 39 LEU H 1 39 LEU QD 3.095 . 4.390 3.782 3.718 3.822 . 0 0 "[ . 1 . 2]" 2
239 1 39 LEU H 1 55 TYR QB 3.315 . 4.830 3.408 3.218 3.631 . 0 0 "[ . 1 . 2]" 2
240 1 39 LEU HA 1 39 LEU QD 2.615 . 3.430 2.170 2.108 2.228 . 0 0 "[ . 1 . 2]" 2
241 1 39 LEU HB3 1 55 TYR QB 3.110 . 4.420 2.256 2.071 2.616 . 0 0 "[ . 1 . 2]" 2
242 1 39 LEU QD 1 40 SER H 2.605 . 3.410 2.757 2.276 2.990 . 0 0 "[ . 1 . 2]" 2
243 1 39 LEU QD 1 41 ILE H 3.210 . 4.620 4.535 4.359 4.639 0.019 6 0 "[ . 1 . 2]" 2
244 1 39 LEU QD 1 55 TYR H 3.210 . 4.620 4.102 3.878 4.294 . 0 0 "[ . 1 . 2]" 2
245 1 39 LEU QD 1 55 TYR QD 2.765 . 3.730 3.077 2.486 3.543 . 0 0 "[ . 1 . 2]" 2
246 1 39 LEU QD 1 55 TYR QE 3.175 . 4.550 4.240 3.449 4.584 0.034 9 0 "[ . 1 . 2]" 2
247 1 39 LEU QD 1 67 ILE MG 3.260 . 4.720 3.586 3.283 3.732 . 0 0 "[ . 1 . 2]" 2
248 1 39 LEU QD 1 67 ILE HG12 3.570 . 5.340 4.164 3.910 4.483 . 0 0 "[ . 1 . 2]" 2
249 1 39 LEU QD 1 79 LEU QD 2.980 . 4.160 2.452 2.042 3.124 . 0 0 "[ . 1 . 2]" 2
250 1 39 LEU QD 1 80 VAL QG 2.995 . 4.190 2.521 2.222 2.821 . 0 0 "[ . 1 . 2]" 2
251 1 39 LEU QD 1 90 LEU MD1 2.515 . 3.230 2.462 2.215 2.777 . 0 0 "[ . 1 . 2]" 2
252 1 39 LEU QD 1 90 LEU MD2 2.770 . 3.740 3.571 3.113 3.811 0.071 6 0 "[ . 1 . 2]" 2
253 1 39 LEU QD 1 94 LEU MD1 2.655 . 3.510 2.341 2.069 2.549 . 0 0 "[ . 1 . 2]" 2
254 1 39 LEU QD 1 94 LEU MD2 2.340 . 2.880 1.865 1.770 2.120 0.030 14 0 "[ . 1 . 2]" 2
255 1 40 SER HA 1 52 VAL QG 3.000 . 4.200 3.154 2.752 3.980 . 0 0 "[ . 1 . 2]" 2
256 1 40 SER QB 1 41 ILE H 2.855 . 3.910 3.658 3.478 3.924 0.014 14 0 "[ . 1 . 2]" 2
257 1 40 SER QB 1 52 VAL QG 2.855 . 3.910 2.741 2.194 3.785 . 0 0 "[ . 1 . 2]" 2
258 1 41 ILE H 1 52 VAL QG 2.750 . 3.700 2.945 2.490 3.757 0.057 17 0 "[ . 1 . 2]" 2
259 1 41 ILE H 1 53 LYS QB 3.570 . 5.340 4.022 3.475 5.122 . 0 0 "[ . 1 . 2]" 2
260 1 41 ILE MD 1 55 TYR QB 3.475 . 5.150 4.103 3.674 4.832 . 0 0 "[ . 1 . 2]" 2
261 1 42 ARG H 1 42 ARG QG 3.175 . 4.550 3.970 3.914 4.020 . 0 0 "[ . 1 . 2]" 2
262 1 42 ARG H 1 42 ARG QD 3.385 . 4.970 4.412 4.268 4.743 . 0 0 "[ . 1 . 2]" 2
263 1 42 ARG HA 1 42 ARG QG 2.745 . 3.690 2.520 2.374 3.151 . 0 0 "[ . 1 . 2]" 2
264 1 42 ARG HA 1 52 VAL QG 2.670 . 3.540 2.483 2.138 2.971 . 0 0 "[ . 1 . 2]" 2
265 1 42 ARG HB2 1 52 VAL QG 2.690 . 3.580 3.285 2.632 3.633 0.053 8 0 "[ . 1 . 2]" 2
266 1 42 ARG QG 1 43 ASP H 2.775 . 3.750 3.373 2.848 3.811 0.061 15 0 "[ . 1 . 2]" 2
267 1 42 ARG QG 1 52 VAL QG 3.210 . 4.620 3.336 2.739 4.559 . 0 0 "[ . 1 . 2]" 2
268 1 43 ASP H 1 43 ASP QB 2.640 . 3.480 2.401 2.119 2.938 . 0 0 "[ . 1 . 2]" 2
269 1 43 ASP H 1 52 VAL QG 2.900 . 4.000 3.639 3.115 4.010 0.010 2 0 "[ . 1 . 2]" 2
270 1 43 ASP QB 1 44 TRP H 2.910 . 4.020 3.282 2.275 3.742 . 0 0 "[ . 1 . 2]" 2
271 1 44 TRP HZ2 1 46 ASP QB 3.130 . 4.460 4.243 3.741 4.544 0.084 14 0 "[ . 1 . 2]" 2
272 1 44 TRP HH2 1 46 ASP QB 2.980 . 4.160 3.332 2.694 4.151 . 0 0 "[ . 1 . 2]" 2
273 1 46 ASP H 1 46 ASP QB 2.430 . 3.060 2.497 2.295 2.790 . 0 0 "[ . 1 . 2]" 2
274 1 46 ASP H 1 47 MET QB 3.535 . 5.270 4.490 3.797 4.884 . 0 0 "[ . 1 . 2]" 2
275 1 46 ASP QB 1 47 MET H 2.780 . 3.760 2.897 2.380 3.612 . 0 0 "[ . 1 . 2]" 2
276 1 47 MET H 1 47 MET QB 2.385 . 2.970 2.386 1.988 2.793 . 0 0 "[ . 1 . 2]" 2
277 1 47 MET H 1 47 MET QG 2.635 . 3.470 2.889 2.150 3.715 0.245 18 0 "[ . 1 . 2]" 2
278 1 47 MET H 1 48 LYS QG 3.020 . 4.240 3.883 3.169 4.323 0.083 8 0 "[ . 1 . 2]" 2
279 1 47 MET QB 1 48 LYS H 2.850 . 3.900 2.633 2.096 3.544 . 0 0 "[ . 1 . 2]" 2
280 1 47 MET QB 1 48 LYS QG 3.020 . 4.240 2.757 2.551 3.904 . 0 0 "[ . 1 . 2]" 2
281 1 47 MET ME 1 47 MET QG 2.670 . 3.540 2.377 2.133 2.511 . 0 0 "[ . 1 . 2]" 2
282 1 47 MET QG 1 48 LYS H 3.395 . 4.990 3.926 2.406 4.492 . 0 0 "[ . 1 . 2]" 2
283 1 48 LYS H 1 48 LYS QG 2.440 . 3.080 2.396 2.126 2.912 . 0 0 "[ . 1 . 2]" 2
284 1 48 LYS H 1 48 LYS QD 3.055 . 4.310 3.783 2.392 4.390 0.080 7 0 "[ . 1 . 2]" 2
285 1 48 LYS H 1 48 LYS QE 3.430 . 5.060 4.426 3.407 4.943 . 0 0 "[ . 1 . 2]" 2
286 1 48 LYS HA 1 48 LYS QG 2.505 . 3.210 2.699 2.384 3.195 . 0 0 "[ . 1 . 2]" 2
287 1 48 LYS HA 1 48 LYS QD 2.950 . 4.100 3.561 2.059 4.155 0.055 6 0 "[ . 1 . 2]" 2
288 1 48 LYS HB3 1 48 LYS QG 2.185 . 2.570 2.326 2.166 2.432 . 0 0 "[ . 1 . 2]" 2
289 1 48 LYS HB3 1 48 LYS QD 2.695 . 3.590 2.536 2.302 3.429 . 0 0 "[ . 1 . 2]" 2
290 1 48 LYS HB3 1 48 LYS QE 3.090 . 4.380 3.645 1.985 4.211 . 0 0 "[ . 1 . 2]" 2
291 1 48 LYS QE 1 48 LYS QG 2.410 . 3.020 2.365 2.110 2.885 . 0 0 "[ . 1 . 2]" 2
292 1 48 LYS QG 1 49 GLY H 3.345 . 4.890 4.394 4.146 4.611 . 0 0 "[ . 1 . 2]" 2
293 1 52 VAL H 1 52 VAL QG 2.560 . 3.320 2.632 1.896 2.882 . 0 0 "[ . 1 . 2]" 2
294 1 52 VAL QG 1 53 LYS H 2.585 . 3.370 2.662 2.413 3.371 0.001 17 0 "[ . 1 . 2]" 2
295 1 52 VAL QG 1 53 LYS QB 3.410 . 5.020 4.171 3.963 4.734 . 0 0 "[ . 1 . 2]" 2
296 1 53 LYS H 1 53 LYS QB 2.590 . 3.380 2.552 2.364 3.115 . 0 0 "[ . 1 . 2]" 2
297 1 53 LYS H 1 53 LYS QG 3.120 . 4.440 3.006 2.256 4.077 . 0 0 "[ . 1 . 2]" 2
298 1 53 LYS HA 1 53 LYS QD 3.280 . 4.760 3.887 2.051 4.531 . 0 0 "[ . 1 . 2]" 2
299 1 53 LYS QB 1 53 LYS QD 2.470 . 3.140 2.184 2.075 2.363 . 0 0 "[ . 1 . 2]" 2
300 1 53 LYS QB 1 54 HIS H 2.730 . 3.660 3.171 2.506 3.717 0.057 18 0 "[ . 1 . 2]" 2
301 1 53 LYS QG 1 54 HIS H 3.260 . 4.720 3.957 2.693 4.691 . 0 0 "[ . 1 . 2]" 2
302 1 53 LYS QD 1 91 CYS QB 2.975 . 4.150 2.978 1.944 4.235 0.085 4 0 "[ . 1 . 2]" 2
303 1 54 HIS H 1 54 HIS QB 2.600 . 3.400 2.945 2.416 3.174 . 0 0 "[ . 1 . 2]" 2
304 1 54 HIS QB 1 55 TYR H 2.570 . 3.340 3.069 2.775 3.343 0.003 17 0 "[ . 1 . 2]" 2
305 1 55 TYR H 1 55 TYR QB 2.575 . 3.350 2.460 2.392 2.603 . 0 0 "[ . 1 . 2]" 2
306 1 55 TYR QB 1 56 LYS H 2.685 . 3.570 3.001 2.322 3.285 . 0 0 "[ . 1 . 2]" 2
307 1 55 TYR QB 1 67 ILE MG 2.760 . 3.720 2.412 2.137 2.662 . 0 0 "[ . 1 . 2]" 2
308 1 55 TYR QB 1 67 ILE HG12 3.100 . 4.400 3.088 2.351 3.788 . 0 0 "[ . 1 . 2]" 2
309 1 55 TYR QB 1 67 ILE MD 2.815 . 3.830 2.400 1.969 2.841 . 0 0 "[ . 1 . 2]" 2
310 1 56 LYS H 1 56 LYS QB 2.700 . 3.600 2.509 2.160 2.947 . 0 0 "[ . 1 . 2]" 2
311 1 56 LYS H 1 56 LYS QG 2.815 . 3.830 2.644 1.879 3.903 0.073 1 0 "[ . 1 . 2]" 2
312 1 56 LYS QB 1 57 ILE H 2.965 . 4.130 3.290 2.823 3.898 . 0 0 "[ . 1 . 2]" 2
313 1 57 ILE MG 1 65 TYR QB 2.645 . 3.490 2.173 1.920 2.731 . 0 0 "[ . 1 . 2]" 2
314 1 57 ILE MG 1 76 LEU QD 2.500 . 3.200 2.025 1.783 3.204 0.017 11 0 "[ . 1 . 2]" 2
315 1 57 ILE HG12 1 79 LEU QD 2.865 . 3.930 2.896 2.388 3.337 . 0 0 "[ . 1 . 2]" 2
316 1 57 ILE MD 1 76 LEU QD 2.530 . 3.260 1.984 1.759 3.136 0.041 11 0 "[ . 1 . 2]" 2
317 1 57 ILE MD 1 79 LEU QD 2.790 . 3.780 2.406 1.917 2.943 . 0 0 "[ . 1 . 2]" 2
318 1 58 ARG H 1 58 ARG QB 2.490 . 3.180 2.384 2.242 2.810 . 0 0 "[ . 1 . 2]" 2
319 1 58 ARG H 1 58 ARG QG 3.085 . 4.370 3.399 1.905 4.143 . 0 0 "[ . 1 . 2]" 2
320 1 58 ARG HA 1 59 LYS QB 3.135 . 4.470 3.919 3.720 4.036 . 0 0 "[ . 1 . 2]" 2
321 1 58 ARG QB 1 59 LYS H 2.550 . 3.300 2.849 2.204 3.369 0.069 15 0 "[ . 1 . 2]" 2
322 1 58 ARG QB 1 66 TYR H 3.570 . 5.340 3.909 3.475 4.807 . 0 0 "[ . 1 . 2]" 2
323 1 58 ARG QG 1 59 LYS H 2.980 . 4.160 3.105 2.017 4.212 0.052 1 0 "[ . 1 . 2]" 2
324 1 59 LYS H 1 59 LYS QB 2.375 . 2.950 2.483 2.306 2.614 . 0 0 "[ . 1 . 2]" 2
325 1 59 LYS H 1 59 LYS QG 2.975 . 4.150 4.049 3.964 4.154 0.004 13 0 "[ . 1 . 2]" 2
326 1 59 LYS H 1 59 LYS QD 3.570 . 5.340 4.805 4.462 5.163 . 0 0 "[ . 1 . 2]" 2
327 1 59 LYS HA 1 59 LYS QG 2.555 . 3.310 2.477 2.401 2.561 . 0 0 "[ . 1 . 2]" 2
328 1 59 LYS HA 1 59 LYS QD 3.230 . 4.660 4.061 3.964 4.152 . 0 0 "[ . 1 . 2]" 2
329 1 59 LYS QB 1 59 LYS QD 2.320 . 2.840 2.223 2.092 2.373 . 0 0 "[ . 1 . 2]" 2
330 1 59 LYS QB 1 59 LYS QE 3.165 . 4.530 2.844 1.853 3.538 . 0 0 "[ . 1 . 2]" 2
331 1 59 LYS QB 1 65 TYR QE 2.980 . 4.160 3.176 2.680 4.168 0.008 13 0 "[ . 1 . 2]" 2
332 1 59 LYS QG 1 60 LEU H 2.680 . 3.560 2.495 2.081 2.901 . 0 0 "[ . 1 . 2]" 2
333 1 59 LYS QG 1 60 LEU HB2 3.125 . 4.450 3.838 3.588 4.314 . 0 0 "[ . 1 . 2]" 2
334 1 59 LYS QG 1 65 TYR QD 3.025 . 4.250 3.426 2.620 3.793 . 0 0 "[ . 1 . 2]" 2
335 1 59 LYS QG 1 65 TYR QE 2.975 . 4.150 3.692 2.833 4.154 0.004 20 0 "[ . 1 . 2]" 2
336 1 59 LYS QD 1 60 LEU H 3.570 . 5.340 4.537 4.164 4.934 . 0 0 "[ . 1 . 2]" 2
337 1 59 LYS QE 1 61 ASP HA 2.730 . 3.660 3.308 2.779 3.702 0.042 12 0 "[ . 1 . 2]" 2
338 1 60 LEU HB3 1 61 ASP QB 3.445 . 5.090 4.942 4.637 5.184 0.094 17 0 "[ . 1 . 2]" 2
339 1 60 LEU MD1 1 66 TYR QB 3.050 . 4.300 3.620 2.643 3.930 . 0 0 "[ . 1 . 2]" 2
340 1 61 ASP QB 1 63 GLY H 3.415 . 5.030 4.573 4.381 4.919 . 0 0 "[ . 1 . 2]" 2
341 1 62 ASN QB 1 62 ASN QD 2.325 . 2.850 2.178 2.099 2.702 . 0 0 "[ . 1 . 2]" 2
342 1 62 ASN QB 1 63 GLY H 2.900 . 4.000 3.701 3.090 4.023 0.023 9 0 "[ . 1 . 2]" 2
343 1 65 TYR H 1 65 TYR QB 2.500 . 3.200 2.504 2.426 2.600 . 0 0 "[ . 1 . 2]" 2
344 1 65 TYR QB 1 66 TYR H 2.680 . 3.560 2.765 2.630 2.928 . 0 0 "[ . 1 . 2]" 2
345 1 65 TYR QB 1 76 LEU QD 3.020 . 4.240 2.627 2.123 3.408 . 0 0 "[ . 1 . 2]" 2
346 1 65 TYR QB 1 79 LEU QD 2.855 . 3.910 2.808 2.292 3.110 . 0 0 "[ . 1 . 2]" 2
347 1 65 TYR QD 1 76 LEU QD 2.910 . 4.020 2.774 2.152 3.575 . 0 0 "[ . 1 . 2]" 2
348 1 65 TYR QD 1 79 LEU QD 3.390 . 4.980 4.220 3.334 4.607 . 0 0 "[ . 1 . 2]" 2
349 1 65 TYR QE 1 76 LEU QD 3.345 . 4.890 3.136 2.784 3.666 . 0 0 "[ . 1 . 2]" 2
350 1 66 TYR QB 1 67 ILE H 2.930 . 4.060 2.969 2.861 3.025 . 0 0 "[ . 1 . 2]" 2
351 1 66 TYR QB 1 68 THR H 3.015 . 4.230 2.970 2.557 3.677 . 0 0 "[ . 1 . 2]" 2
352 1 66 TYR QB 1 72 GLN HA 2.970 . 4.140 2.264 2.032 2.844 . 0 0 "[ . 1 . 2]" 2
353 1 66 TYR QB 1 72 GLN HG2 3.570 . 5.340 4.642 4.327 4.872 . 0 0 "[ . 1 . 2]" 2
354 1 66 TYR QB 1 72 GLN HG3 3.570 . 5.340 4.460 3.950 4.766 . 0 0 "[ . 1 . 2]" 2
355 1 66 TYR QB 1 73 PHE H 3.490 . 5.180 3.333 2.627 3.806 . 0 0 "[ . 1 . 2]" 2
356 1 67 ILE HB 1 79 LEU QD 3.185 . 4.570 2.607 1.928 4.098 . 0 0 "[ . 1 . 2]" 2
357 1 67 ILE HG13 1 79 LEU QD 3.210 . 4.620 2.026 1.824 2.818 . 0 0 "[ . 1 . 2]" 2
358 1 67 ILE MD 1 79 LEU QD 2.590 . 3.380 1.898 1.848 1.963 . 0 0 "[ . 1 . 2]" 2
359 1 68 THR MG 1 70 ARG QB 2.490 . 3.180 2.922 1.993 3.404 0.224 10 0 "[ . 1 . 2]" 2
360 1 70 ARG H 1 70 ARG QB 2.495 . 3.190 2.305 1.975 2.686 . 0 0 "[ . 1 . 2]" 2
361 1 70 ARG H 1 70 ARG QG 2.680 . 3.560 2.730 1.851 3.678 0.118 12 0 "[ . 1 . 2]" 2
362 1 70 ARG HA 1 70 ARG QG 2.705 . 3.610 3.030 2.342 3.453 . 0 0 "[ . 1 . 2]" 2
363 1 70 ARG HA 1 70 ARG QD 3.165 . 4.530 4.279 3.752 4.541 0.011 20 0 "[ . 1 . 2]" 2
364 1 70 ARG QB 1 70 ARG QD 2.545 . 3.290 2.261 2.053 2.453 . 0 0 "[ . 1 . 2]" 2
365 1 70 ARG QB 1 71 ALA MB 3.015 . 4.230 3.622 2.514 3.948 . 0 0 "[ . 1 . 2]" 2
366 1 70 ARG QG 1 71 ALA MB 2.875 . 3.950 2.782 2.265 4.222 0.272 15 0 "[ . 1 . 2]" 2
367 1 73 PHE H 1 73 PHE QB 2.655 . 3.510 2.487 2.398 2.755 . 0 0 "[ . 1 . 2]" 2
368 1 73 PHE H 1 79 LEU QD 3.555 . 5.310 4.297 3.963 4.907 . 0 0 "[ . 1 . 2]" 2
369 1 73 PHE QB 1 75 THR H 2.990 . 4.180 2.759 2.391 3.003 . 0 0 "[ . 1 . 2]" 2
370 1 73 PHE QB 1 78 GLN H 3.040 . 4.280 3.831 3.703 3.949 . 0 0 "[ . 1 . 2]" 2
371 1 73 PHE QB 1 79 LEU H 2.725 . 3.650 2.901 2.791 3.109 . 0 0 "[ . 1 . 2]" 2
372 1 73 PHE QB 1 79 LEU HA 3.050 . 4.300 3.349 2.824 3.758 . 0 0 "[ . 1 . 2]" 2
373 1 73 PHE QB 1 79 LEU HB2 3.300 . 4.800 2.786 2.239 3.776 . 0 0 "[ . 1 . 2]" 2
374 1 73 PHE QB 1 79 LEU QD 3.540 . 5.280 3.428 3.245 3.818 . 0 0 "[ . 1 . 2]" 2
375 1 73 PHE QD 1 79 LEU QD 3.185 . 4.570 3.066 2.465 4.093 . 0 0 "[ . 1 . 2]" 2
376 1 73 PHE QE 1 82 HIS QB 2.875 . 3.950 2.425 2.008 2.908 . 0 0 "[ . 1 . 2]" 2
377 1 74 GLU HA 1 74 GLU QG 2.560 . 3.320 2.727 2.444 3.103 . 0 0 "[ . 1 . 2]" 2
378 1 74 GLU QG 1 75 THR MG 2.840 . 3.880 3.205 2.894 3.884 0.004 15 0 "[ . 1 . 2]" 2
379 1 75 THR MG 1 76 LEU QB 3.245 . 4.690 4.258 3.739 4.572 . 0 0 "[ . 1 . 2]" 2
380 1 76 LEU HA 1 76 LEU QD 2.490 . 3.180 2.065 1.924 2.595 . 0 0 "[ . 1 . 2]" 2
381 1 76 LEU HA 1 79 LEU QD 3.190 . 4.580 2.950 1.890 3.409 . 0 0 "[ . 1 . 2]" 2
382 1 76 LEU QB 1 77 GLN HA 3.570 . 5.340 4.021 3.718 4.342 . 0 0 "[ . 1 . 2]" 2
383 1 76 LEU HG 1 79 LEU QD 3.405 . 5.010 3.455 2.588 4.548 . 0 0 "[ . 1 . 2]" 2
384 1 76 LEU QD 1 77 GLN H 3.410 . 5.020 4.052 3.565 4.216 . 0 0 "[ . 1 . 2]" 2
385 1 76 LEU QD 1 79 LEU H 3.510 . 5.220 4.431 3.779 5.146 . 0 0 "[ . 1 . 2]" 2
386 1 76 LEU QD 1 79 LEU QD 2.605 . 3.410 2.233 1.852 3.029 . 0 0 "[ . 1 . 2]" 2
387 1 76 LEU QD 1 80 VAL QG 2.865 . 3.930 3.333 2.362 3.891 . 0 0 "[ . 1 . 2]" 2
388 1 77 GLN HA 1 80 VAL QG 2.775 . 3.750 2.171 1.974 2.364 . 0 0 "[ . 1 . 2]" 2
389 1 77 GLN QG 1 78 GLN HE21 3.105 . 4.410 3.966 3.843 4.169 . 0 0 "[ . 1 . 2]" 2
390 1 77 GLN HE21 1 80 VAL QG 3.090 . 4.380 3.379 3.030 3.626 . 0 0 "[ . 1 . 2]" 2
391 1 77 GLN HE22 1 80 VAL QG 3.620 . 5.440 4.705 4.422 4.944 . 0 0 "[ . 1 . 2]" 2
392 1 79 LEU H 1 79 LEU QD 2.815 . 3.830 3.523 2.987 3.713 . 0 0 "[ . 1 . 2]" 2
393 1 79 LEU H 1 80 VAL QG 3.125 . 4.450 3.766 3.616 3.895 . 0 0 "[ . 1 . 2]" 2
394 1 79 LEU HA 1 80 VAL QG 3.620 . 5.440 4.476 4.412 4.516 . 0 0 "[ . 1 . 2]" 2
395 1 79 LEU HB3 1 80 VAL QG 3.390 . 4.980 3.533 2.959 4.404 . 0 0 "[ . 1 . 2]" 2
396 1 79 LEU HG 1 80 VAL QG 3.620 . 5.440 3.763 2.132 4.298 . 0 0 "[ . 1 . 2]" 2
397 1 79 LEU QD 1 80 VAL H 2.690 . 3.580 2.825 2.631 3.422 . 0 0 "[ . 1 . 2]" 2
398 1 79 LEU QD 1 80 VAL HA 2.805 . 3.810 2.609 2.350 3.804 . 0 0 "[ . 1 . 2]" 2
399 1 79 LEU QD 1 80 VAL QG 2.635 . 3.470 2.169 2.050 2.631 . 0 0 "[ . 1 . 2]" 2
400 1 79 LEU QD 1 81 GLN H 3.415 . 5.030 4.503 4.389 5.042 0.012 15 0 "[ . 1 . 2]" 2
401 1 79 LEU QD 1 83 TYR H 3.360 . 4.920 4.401 4.006 4.869 . 0 0 "[ . 1 . 2]" 2
402 1 79 LEU QD 1 83 TYR QD 2.570 . 3.340 2.428 1.920 3.274 . 0 0 "[ . 1 . 2]" 2
403 1 79 LEU QD 1 83 TYR QE 2.700 . 3.600 2.306 1.879 2.781 . 0 0 "[ . 1 . 2]" 2
404 1 79 LEU QD 1 94 LEU MD1 2.990 . 4.180 3.428 3.032 4.237 0.057 15 0 "[ . 1 . 2]" 2
405 1 80 VAL H 1 80 VAL QG 2.390 . 2.980 1.977 1.838 2.066 . 0 0 "[ . 1 . 2]" 2
406 1 80 VAL HA 1 80 VAL QG 2.415 . 3.030 2.275 2.201 2.321 . 0 0 "[ . 1 . 2]" 2
407 1 80 VAL QG 1 81 GLN HA 2.990 . 4.180 3.197 2.994 3.373 . 0 0 "[ . 1 . 2]" 2
408 1 80 VAL QG 1 83 TYR QD 3.440 . 5.080 3.653 3.401 3.724 . 0 0 "[ . 1 . 2]" 2
409 1 80 VAL QG 1 83 TYR QE 3.325 . 4.850 4.851 4.558 4.956 0.106 5 0 "[ . 1 . 2]" 2
410 1 80 VAL QG 1 94 LEU MD1 2.530 . 3.260 2.373 2.222 2.571 . 0 0 "[ . 1 . 2]" 2
411 1 80 VAL QG 1 94 LEU MD2 3.100 . 4.400 3.861 3.672 4.038 . 0 0 "[ . 1 . 2]" 2
412 1 81 GLN H 1 82 HIS QB 3.570 . 5.340 4.358 4.212 4.467 . 0 0 "[ . 1 . 2]" 2
413 1 81 GLN HA 1 84 SER QB 2.725 . 3.650 2.803 2.512 3.125 . 0 0 "[ . 1 . 2]" 2
414 1 82 HIS HA 1 85 GLU QG 3.060 . 4.320 2.933 2.194 3.904 . 0 0 "[ . 1 . 2]" 2
415 1 82 HIS QB 1 83 TYR H 2.605 . 3.410 2.596 2.369 2.779 . 0 0 "[ . 1 . 2]" 2
416 1 82 HIS QB 1 84 SER H 3.280 . 4.760 4.449 4.354 4.549 . 0 0 "[ . 1 . 2]" 2
417 1 83 TYR H 1 84 SER QB 3.570 . 5.340 4.557 4.172 4.849 . 0 0 "[ . 1 . 2]" 2
418 1 84 SER H 1 84 SER QB 2.545 . 3.290 2.390 2.247 2.490 . 0 0 "[ . 1 . 2]" 2
419 1 84 SER H 1 85 GLU QG 3.005 . 4.210 3.713 3.079 4.170 . 0 0 "[ . 1 . 2]" 2
420 1 84 SER QB 1 85 GLU H 2.660 . 3.520 3.088 2.719 3.373 . 0 0 "[ . 1 . 2]" 2
421 1 84 SER QB 1 85 GLU QG 3.240 . 4.680 3.329 2.974 3.628 . 0 0 "[ . 1 . 2]" 2
422 1 84 SER QB 1 86 ARG H 3.565 . 5.330 5.039 4.655 5.460 0.130 6 0 "[ . 1 . 2]" 2
423 1 85 GLU H 1 85 GLU QG 2.545 . 3.290 2.425 2.197 2.722 . 0 0 "[ . 1 . 2]" 2
424 1 85 GLU H 1 86 ARG QG 3.150 . 4.500 3.994 3.434 4.394 . 0 0 "[ . 1 . 2]" 2
425 1 85 GLU H 1 93 ARG QG 3.570 . 5.340 5.146 3.299 5.424 0.084 2 0 "[ . 1 . 2]" 2
426 1 85 GLU HA 1 85 GLU QG 2.550 . 3.300 2.633 2.412 3.028 . 0 0 "[ . 1 . 2]" 2
427 1 85 GLU HA 1 93 ARG QG 3.570 . 5.340 4.866 4.097 5.369 0.029 2 0 "[ . 1 . 2]" 2
428 1 85 GLU HB2 1 85 GLU QG 2.200 . 2.600 2.270 2.142 2.338 . 0 0 "[ . 1 . 2]" 2
429 1 85 GLU HB2 1 86 ARG QG 2.555 . 3.310 2.626 1.890 3.245 . 0 0 "[ . 1 . 2]" 2
430 1 85 GLU HB3 1 86 ARG QG 3.570 . 5.340 3.556 2.379 4.404 . 0 0 "[ . 1 . 2]" 2
431 1 85 GLU HB3 1 86 ARG QD 3.570 . 5.340 4.647 3.936 5.235 . 0 0 "[ . 1 . 2]" 2
432 1 85 GLU QG 1 86 ARG H 2.925 . 4.050 3.831 3.475 4.005 . 0 0 "[ . 1 . 2]" 2
433 1 86 ARG H 1 86 ARG QB 2.600 . 3.400 3.047 2.591 3.240 . 0 0 "[ . 1 . 2]" 2
434 1 86 ARG H 1 86 ARG QG 2.550 . 3.300 2.369 2.081 2.769 . 0 0 "[ . 1 . 2]" 2
435 1 86 ARG H 1 86 ARG QD 3.315 . 4.830 4.273 3.956 4.508 . 0 0 "[ . 1 . 2]" 2
436 1 86 ARG HA 1 93 ARG QG 3.295 . 4.790 3.694 2.342 4.818 0.028 19 0 "[ . 1 . 2]" 2
437 1 86 ARG QB 1 86 ARG QD 2.525 . 3.250 2.243 2.081 2.343 . 0 0 "[ . 1 . 2]" 2
438 1 86 ARG QB 1 87 ALA H 2.740 . 3.680 2.736 2.457 3.051 . 0 0 "[ . 1 . 2]" 2
439 1 86 ARG QB 1 88 ALA H 2.800 . 3.800 2.806 2.597 3.038 . 0 0 "[ . 1 . 2]" 2
440 1 86 ARG QB 1 88 ALA MB 3.060 . 4.320 3.442 2.178 4.083 . 0 0 "[ . 1 . 2]" 2
441 1 86 ARG QG 1 87 ALA H 3.255 . 4.710 3.809 3.291 4.294 . 0 0 "[ . 1 . 2]" 2
442 1 86 ARG QG 1 88 ALA H 3.570 . 5.340 3.215 2.265 4.745 . 0 0 "[ . 1 . 2]" 2
443 1 87 ALA H 1 93 ARG QG 3.570 . 5.340 4.243 2.939 5.011 . 0 0 "[ . 1 . 2]" 2
444 1 87 ALA H 1 93 ARG QD 3.345 . 4.890 4.421 2.563 4.969 0.079 12 0 "[ . 1 . 2]" 2
445 1 87 ALA MB 1 89 GLY QA 3.030 . 4.260 4.196 3.911 4.291 0.031 17 0 "[ . 1 . 2]" 2
446 1 91 CYS H 1 91 CYS QB 2.715 . 3.630 2.412 2.213 2.603 . 0 0 "[ . 1 . 2]" 2
447 1 92 CYS QB 1 93 ARG H 2.610 . 3.420 3.279 2.600 3.496 0.076 17 0 "[ . 1 . 2]" 2
448 1 93 ARG H 1 93 ARG QG 2.640 . 3.480 3.058 2.043 3.742 0.262 6 0 "[ . 1 . 2]" 2
449 1 93 ARG H 1 93 ARG QD 2.645 . 3.490 2.256 1.762 3.729 0.239 6 0 "[ . 1 . 2]" 2
450 1 93 ARG HA 1 93 ARG QG 2.735 . 3.670 3.468 2.733 3.564 . 0 0 "[ . 1 . 2]" 2
451 1 93 ARG HA 1 93 ARG QD 2.980 . 4.160 3.756 2.300 4.199 0.039 19 0 "[ . 1 . 2]" 2
452 1 93 ARG HB3 1 93 ARG QD 2.670 . 3.540 2.694 2.179 3.488 . 0 0 "[ . 1 . 2]" 2
453 1 93 ARG QG 1 94 LEU H 3.085 . 4.370 3.114 1.756 4.101 0.044 6 0 "[ . 1 . 2]" 2
454 1 93 ARG QG 1 95 VAL H 3.570 . 5.340 4.412 3.875 5.367 0.027 2 0 "[ . 1 . 2]" 2
455 1 93 ARG QD 1 94 LEU H 3.570 . 5.340 4.256 3.027 4.762 . 0 0 "[ . 1 . 2]" 2
456 1 95 VAL H 1 95 VAL QG 2.575 . 3.350 2.420 2.160 2.632 . 0 0 "[ . 1 . 2]" 2
457 1 95 VAL H 1 96 VAL QG 3.390 . 4.980 3.948 3.615 4.129 . 0 0 "[ . 1 . 2]" 2
458 1 95 VAL HA 1 95 VAL QG 2.285 . 2.770 2.175 2.118 2.292 . 0 0 "[ . 1 . 2]" 2
459 1 95 VAL HA 1 96 VAL QG 3.455 . 5.110 4.031 3.649 4.612 . 0 0 "[ . 1 . 2]" 2
460 1 95 VAL QG 1 96 VAL HA 3.050 . 4.300 3.686 3.571 3.822 . 0 0 "[ . 1 . 2]" 2
461 1 95 VAL QG 1 96 VAL HB 2.880 . 3.960 3.520 2.436 4.077 0.117 7 0 "[ . 1 . 2]" 2
462 1 96 VAL H 1 96 VAL QG 2.565 . 3.330 2.307 2.146 2.430 . 0 0 "[ . 1 . 2]" 2
463 1 96 VAL HA 1 96 VAL QG 2.345 . 2.890 2.305 2.232 2.420 . 0 0 "[ . 1 . 2]" 2
464 1 96 VAL HA 1 97 PRO QG 3.210 . 4.620 3.867 3.588 4.017 . 0 0 "[ . 1 . 2]" 2
465 1 96 VAL HB 1 97 PRO QD 2.830 . 3.860 2.908 2.212 3.870 0.010 6 0 "[ . 1 . 2]" 2
466 1 96 VAL QG 1 97 PRO QG 3.180 . 4.560 4.090 3.556 4.330 . 0 0 "[ . 1 . 2]" 2
467 1 96 VAL QG 1 97 PRO QD 2.300 . 2.800 2.635 2.213 2.876 0.076 2 0 "[ . 1 . 2]" 2
468 1 98 CYS H 1 98 CYS QB 2.545 . 3.290 2.253 2.219 2.346 . 0 0 "[ . 1 . 2]" 2
469 1 98 CYS QB 1 99 HIS H 3.030 . 4.260 3.559 3.352 3.917 . 0 0 "[ . 1 . 2]" 2
470 1 99 HIS HA 1 100 LYS QB 3.230 . 4.660 4.419 4.202 4.659 . 0 0 "[ . 1 . 2]" 2
471 1 99 HIS QB 1 100 LYS H 2.835 . 3.870 3.688 2.877 3.931 0.061 5 0 "[ . 1 . 2]" 2
472 1 100 LYS H 1 100 LYS QB 2.455 . 3.110 2.630 2.141 3.227 0.117 15 0 "[ . 1 . 2]" 2
473 1 100 LYS H 1 100 LYS QG 2.580 . 3.360 2.631 1.978 3.235 . 0 0 "[ . 1 . 2]" 2
474 1 100 LYS HA 1 100 LYS QG 2.615 . 3.430 2.805 2.240 3.376 . 0 0 "[ . 1 . 2]" 2
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