NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438153 |
2k4d   |
15796 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k4d
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 1077
_Distance_constraint_stats_list.Viol_count 1198
_Distance_constraint_stats_list.Viol_total 781.986
_Distance_constraint_stats_list.Viol_max 0.205
_Distance_constraint_stats_list.Viol_rms 0.0104
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0326
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLN 0.089 0.043 15 0 "[ . 1 . 2]"
1 5 ASP 0.089 0.043 15 0 "[ . 1 . 2]"
1 6 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 1.081 0.142 7 0 "[ . 1 . 2]"
1 8 LYS 1.085 0.142 7 0 "[ . 1 . 2]"
1 9 VAL 0.765 0.119 11 0 "[ . 1 . 2]"
1 10 THR 0.441 0.105 19 0 "[ . 1 . 2]"
1 11 GLN 0.136 0.072 7 0 "[ . 1 . 2]"
1 12 GLU 0.048 0.046 5 0 "[ . 1 . 2]"
1 13 GLN 0.456 0.067 19 0 "[ . 1 . 2]"
1 14 TYR 1.905 0.131 14 0 "[ . 1 . 2]"
1 15 GLU 1.475 0.172 20 0 "[ . 1 . 2]"
1 16 LEU 3.172 0.172 20 0 "[ . 1 . 2]"
1 17 TYR 1.329 0.136 6 0 "[ . 1 . 2]"
1 18 CYS 0.171 0.086 2 0 "[ . 1 . 2]"
1 19 GLU 0.043 0.043 11 0 "[ . 1 . 2]"
1 20 MET 0.634 0.078 12 0 "[ . 1 . 2]"
1 21 GLY 0.591 0.078 12 0 "[ . 1 . 2]"
1 23 THR 0.200 0.074 15 0 "[ . 1 . 2]"
1 24 PHE 0.364 0.090 5 0 "[ . 1 . 2]"
1 25 GLN 0.653 0.125 6 0 "[ . 1 . 2]"
1 26 LEU 1.230 0.111 14 0 "[ . 1 . 2]"
1 27 CYS 0.524 0.077 2 0 "[ . 1 . 2]"
1 28 LYS 0.503 0.079 7 0 "[ . 1 . 2]"
1 29 ILE 1.192 0.103 19 0 "[ . 1 . 2]"
1 30 CYS 0.452 0.047 2 0 "[ . 1 . 2]"
1 31 ALA 0.574 0.047 2 0 "[ . 1 . 2]"
1 32 GLU 0.606 0.088 19 0 "[ . 1 . 2]"
1 33 ASN 1.160 0.111 14 0 "[ . 1 . 2]"
1 34 ASP 0.592 0.098 19 0 "[ . 1 . 2]"
1 35 LYS 1.122 0.108 6 0 "[ . 1 . 2]"
1 36 ASP 0.110 0.046 2 0 "[ . 1 . 2]"
1 37 VAL 1.083 0.083 6 0 "[ . 1 . 2]"
1 38 LYS 0.983 0.091 7 0 "[ . 1 . 2]"
1 39 ILE 3.298 0.080 5 0 "[ . 1 . 2]"
1 40 GLU 0.608 0.156 19 0 "[ . 1 . 2]"
1 41 PRO 0.067 0.021 13 0 "[ . 1 . 2]"
1 42 CYS 0.834 0.146 7 0 "[ . 1 . 2]"
1 43 GLY 0.701 0.091 7 0 "[ . 1 . 2]"
1 44 HIS 2.141 0.130 13 0 "[ . 1 . 2]"
1 45 LEU 2.131 0.109 18 0 "[ . 1 . 2]"
1 46 MET 0.713 0.108 6 0 "[ . 1 . 2]"
1 47 CYS 0.722 0.140 5 0 "[ . 1 . 2]"
1 48 THR 0.598 0.052 15 0 "[ . 1 . 2]"
1 49 SER 0.167 0.050 1 0 "[ . 1 . 2]"
1 50 CYS 0.064 0.020 4 0 "[ . 1 . 2]"
1 51 LEU 1.736 0.140 5 0 "[ . 1 . 2]"
1 52 THR 2.362 0.145 14 0 "[ . 1 . 2]"
1 53 SER 2.178 0.145 14 0 "[ . 1 . 2]"
1 54 TRP 1.150 0.072 5 0 "[ . 1 . 2]"
1 55 GLN 0.736 0.072 17 0 "[ . 1 . 2]"
1 56 GLU 2.277 0.168 20 0 "[ . 1 . 2]"
1 57 SER 0.893 0.168 20 0 "[ . 1 . 2]"
1 58 GLU 0.744 0.094 11 0 "[ . 1 . 2]"
1 59 GLY 0.303 0.060 2 0 "[ . 1 . 2]"
1 60 GLN 0.839 0.087 18 0 "[ . 1 . 2]"
1 61 GLY 0.266 0.087 18 0 "[ . 1 . 2]"
1 62 CYS 1.638 0.063 12 0 "[ . 1 . 2]"
1 63 PRO 3.405 0.071 11 0 "[ . 1 . 2]"
1 64 PHE 2.428 0.103 19 0 "[ . 1 . 2]"
1 65 CYS 1.673 0.130 13 0 "[ . 1 . 2]"
1 66 ARG 0.981 0.079 9 0 "[ . 1 . 2]"
1 67 CYS 0.304 0.058 13 0 "[ . 1 . 2]"
1 68 GLU 1.448 0.146 7 0 "[ . 1 . 2]"
1 69 ILE 1.272 0.064 7 0 "[ . 1 . 2]"
1 70 LYS 0.110 0.028 5 0 "[ . 1 . 2]"
1 71 GLY 0.346 0.156 19 0 "[ . 1 . 2]"
1 72 THR 0.231 0.039 7 0 "[ . 1 . 2]"
1 73 GLU 0.488 0.047 8 0 "[ . 1 . 2]"
1 74 PRO 0.836 0.085 3 0 "[ . 1 . 2]"
1 75 ILE 1.711 0.205 15 0 "[ . 1 . 2]"
1 76 VAL 2.643 0.205 15 0 "[ . 1 . 2]"
1 77 VAL 2.117 0.133 2 0 "[ . 1 . 2]"
1 78 ASP 0.468 0.104 14 0 "[ . 1 . 2]"
1 79 PRO 0.967 0.104 14 0 "[ . 1 . 2]"
1 80 PHE 0.031 0.031 20 0 "[ . 1 . 2]"
1 81 ASP 0.031 0.031 20 0 "[ . 1 . 2]"
1 82 PRO 0.597 0.090 4 0 "[ . 1 . 2]"
1 83 ARG 0.250 0.065 3 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 41 PRO HD3 1 70 LYS H 4.390 . 4.390 3.169 2.685 3.742 . 0 0 "[ . 1 . 2]" 1
2 1 70 LYS H 1 70 LYS HB2 3.900 . 3.900 2.762 2.420 3.099 . 0 0 "[ . 1 . 2]" 1
3 1 70 LYS H 1 70 LYS HB3 3.900 . 3.900 3.102 2.415 3.844 . 0 0 "[ . 1 . 2]" 1
4 1 70 LYS H 1 70 LYS HG2 5.450 . 5.450 4.216 2.503 4.972 . 0 0 "[ . 1 . 2]" 1
5 1 70 LYS H 1 70 LYS HG3 5.450 . 5.450 3.986 2.737 4.800 . 0 0 "[ . 1 . 2]" 1
6 1 39 ILE MG 1 70 LYS H 4.320 . 4.320 3.286 3.088 3.516 . 0 0 "[ . 1 . 2]" 1
7 1 28 LYS H 1 28 LYS HB2 3.820 . 3.820 2.485 2.316 2.665 . 0 0 "[ . 1 . 2]" 1
8 1 28 LYS H 1 28 LYS HB3 3.820 . 3.820 2.883 2.439 3.653 . 0 0 "[ . 1 . 2]" 1
9 1 77 VAL HB 1 78 ASP H 4.490 . 4.490 3.542 1.805 4.326 . 0 0 "[ . 1 . 2]" 1
10 1 77 VAL MG2 1 78 ASP H 4.480 . 4.480 3.677 3.089 4.301 . 0 0 "[ . 1 . 2]" 1
11 1 77 VAL MG1 1 78 ASP H 4.870 . 4.870 3.844 2.540 4.424 . 0 0 "[ . 1 . 2]" 1
12 1 49 SER HB3 1 50 CYS H 3.790 . 3.790 3.455 2.320 3.810 0.020 4 0 "[ . 1 . 2]" 1
13 1 48 THR HA 1 50 CYS H 4.630 . 4.630 4.392 4.104 4.646 0.016 18 0 "[ . 1 . 2]" 1
14 1 50 CYS H 1 50 CYS HB2 3.310 . 3.310 2.542 2.509 2.603 . 0 0 "[ . 1 . 2]" 1
15 1 83 ARG H 1 83 ARG HB3 4.000 . 4.000 3.520 2.787 4.008 0.008 10 0 "[ . 1 . 2]" 1
16 1 83 ARG H 1 83 ARG HG2 5.380 . 5.380 3.457 1.984 5.230 . 0 0 "[ . 1 . 2]" 1
17 1 83 ARG H 1 83 ARG HG3 5.380 . 5.380 3.463 2.305 4.796 . 0 0 "[ . 1 . 2]" 1
18 1 39 ILE H 1 45 LEU HA 4.380 . 4.380 3.757 3.540 4.050 . 0 0 "[ . 1 . 2]" 1
19 1 38 LYS HA 1 39 ILE H 3.080 . 3.080 2.106 2.029 2.180 . 0 0 "[ . 1 . 2]" 1
20 1 39 ILE H 1 39 ILE HB 3.330 . 3.330 2.395 2.336 2.447 . 0 0 "[ . 1 . 2]" 1
21 1 39 ILE H 1 39 ILE HG13 3.490 . 3.490 3.539 3.513 3.570 0.080 5 0 "[ . 1 . 2]" 1
22 1 38 LYS HG2 1 39 ILE H 4.160 . 4.160 3.687 3.401 3.957 . 0 0 "[ . 1 . 2]" 1
23 1 39 ILE H 1 39 ILE MD 3.840 . 3.840 2.064 1.988 2.129 . 0 0 "[ . 1 . 2]" 1
24 1 37 VAL MG2 1 39 ILE H 4.710 . 4.710 4.099 3.922 4.239 . 0 0 "[ . 1 . 2]" 1
25 1 38 LYS H 1 72 THR MG 4.740 . 4.740 4.579 4.221 4.768 0.028 20 0 "[ . 1 . 2]" 1
26 1 38 LYS H 1 73 GLU H 3.840 . 3.840 2.831 2.627 2.962 . 0 0 "[ . 1 . 2]" 1
27 1 37 VAL HA 1 38 LYS H 2.950 . 2.950 2.088 2.046 2.171 . 0 0 "[ . 1 . 2]" 1
28 1 38 LYS H 1 72 THR HB 4.610 . 4.610 4.263 3.830 4.609 . 0 0 "[ . 1 . 2]" 1
29 1 37 VAL HB 1 38 LYS H 4.290 . 4.290 4.126 4.067 4.190 . 0 0 "[ . 1 . 2]" 1
30 1 38 LYS H 1 38 LYS HB3 3.510 . 3.510 2.415 2.267 2.590 . 0 0 "[ . 1 . 2]" 1
31 1 38 LYS H 1 38 LYS HB2 3.730 . 3.730 2.959 2.827 3.100 . 0 0 "[ . 1 . 2]" 1
32 1 37 VAL MG2 1 38 LYS H 3.180 . 3.180 2.500 2.404 2.623 . 0 0 "[ . 1 . 2]" 1
33 1 68 GLU HA 1 69 ILE H 2.840 . 2.840 2.097 1.976 2.170 . 0 0 "[ . 1 . 2]" 1
34 1 69 ILE H 1 69 ILE HB 3.450 . 3.450 2.657 2.567 2.777 . 0 0 "[ . 1 . 2]" 1
35 1 69 ILE H 1 69 ILE HG13 3.530 . 3.530 2.947 2.667 3.122 . 0 0 "[ . 1 . 2]" 1
36 1 76 VAL HA 1 77 VAL H 2.900 . 2.900 2.162 2.010 2.618 . 0 0 "[ . 1 . 2]" 1
37 1 77 VAL H 1 77 VAL HB 3.970 . 3.970 3.673 3.409 3.862 . 0 0 "[ . 1 . 2]" 1
38 1 77 VAL H 1 77 VAL MG2 3.380 . 3.380 1.974 1.706 2.304 . 0 0 "[ . 1 . 2]" 1
39 1 31 ALA H 1 32 GLU H 3.770 . 3.770 2.657 2.504 3.253 . 0 0 "[ . 1 . 2]" 1
40 1 31 ALA H 1 31 ALA HA 2.940 . 2.940 2.200 2.176 2.226 . 0 0 "[ . 1 . 2]" 1
41 1 29 ILE HA 1 31 ALA H 5.030 . 5.030 4.906 4.800 5.030 . 0 0 "[ . 1 . 2]" 1
42 1 27 CYS HB3 1 31 ALA H 4.520 . 4.520 3.412 2.746 3.766 . 0 0 "[ . 1 . 2]" 1
43 1 30 CYS HB3 1 31 ALA H 4.350 . 4.350 4.245 4.151 4.361 0.011 5 0 "[ . 1 . 2]" 1
44 1 26 LEU HB3 1 31 ALA H 5.320 . 5.320 4.184 3.767 4.475 . 0 0 "[ . 1 . 2]" 1
45 1 27 CYS H 1 34 ASP HA 4.250 . 4.250 2.705 2.297 3.110 . 0 0 "[ . 1 . 2]" 1
46 1 27 CYS H 1 27 CYS HB2 3.860 . 3.860 2.667 2.485 2.886 . 0 0 "[ . 1 . 2]" 1
47 1 26 LEU HB3 1 27 CYS H 4.540 . 4.540 2.725 2.171 3.370 . 0 0 "[ . 1 . 2]" 1
48 1 26 LEU HB2 1 27 CYS H 4.300 . 4.300 3.880 3.481 4.249 . 0 0 "[ . 1 . 2]" 1
49 1 40 GLU H 1 69 ILE MG 4.750 . 4.750 4.189 3.818 4.400 . 0 0 "[ . 1 . 2]" 1
50 1 39 ILE HA 1 40 GLU H 2.890 . 2.890 2.116 2.052 2.208 . 0 0 "[ . 1 . 2]" 1
51 1 40 GLU H 1 69 ILE HA 4.730 . 4.730 4.391 4.105 4.685 . 0 0 "[ . 1 . 2]" 1
52 1 39 ILE HB 1 40 GLU H 4.270 . 4.270 4.284 4.227 4.306 0.036 15 0 "[ . 1 . 2]" 1
53 1 40 GLU H 1 40 GLU HG2 4.530 . 4.530 2.967 2.290 3.791 . 0 0 "[ . 1 . 2]" 1
54 1 40 GLU H 1 40 GLU HG3 4.530 . 4.530 3.706 2.267 4.168 . 0 0 "[ . 1 . 2]" 1
55 1 40 GLU H 1 40 GLU HB2 3.910 . 3.910 2.553 2.357 3.783 . 0 0 "[ . 1 . 2]" 1
56 1 39 ILE HG13 1 40 GLU H 4.650 . 4.650 4.259 4.109 4.386 . 0 0 "[ . 1 . 2]" 1
57 1 75 ILE H 1 76 VAL H 4.640 . 4.640 4.209 2.347 4.557 . 0 0 "[ . 1 . 2]" 1
58 1 75 ILE HA 1 76 VAL H 3.190 . 3.190 2.422 2.117 3.395 0.205 15 0 "[ . 1 . 2]" 1
59 1 76 VAL H 1 76 VAL HB 3.900 . 3.900 3.436 2.741 3.906 0.006 17 0 "[ . 1 . 2]" 1
60 1 75 ILE HG13 1 76 VAL H 5.240 . 5.240 4.830 3.530 5.065 . 0 0 "[ . 1 . 2]" 1
61 1 76 VAL H 1 77 VAL MG2 3.810 . 3.810 3.893 3.825 3.943 0.133 2 0 "[ . 1 . 2]" 1
62 1 76 VAL H 1 77 VAL MG1 4.090 . 4.090 3.442 2.826 4.150 0.060 10 0 "[ . 1 . 2]" 1
63 1 75 ILE MG 1 76 VAL H 3.810 . 3.810 2.279 1.804 3.064 . 0 0 "[ . 1 . 2]" 1
64 1 62 CYS H 1 67 CYS H 4.180 . 4.180 2.660 1.916 2.972 . 0 0 "[ . 1 . 2]" 1
65 1 62 CYS H 1 66 ARG HA 3.790 . 3.790 2.990 2.702 3.314 . 0 0 "[ . 1 . 2]" 1
66 1 62 CYS H 1 69 ILE HA 5.290 . 5.290 5.281 5.186 5.334 0.044 3 0 "[ . 1 . 2]" 1
67 1 61 GLY HA3 1 62 CYS H 3.300 . 3.300 2.775 2.605 2.990 . 0 0 "[ . 1 . 2]" 1
68 1 62 CYS H 1 62 CYS HB3 3.660 . 3.660 3.559 3.459 3.643 . 0 0 "[ . 1 . 2]" 1
69 1 54 TRP H 1 54 TRP HE3 5.090 . 5.090 4.802 4.672 4.920 . 0 0 "[ . 1 . 2]" 1
70 1 54 TRP H 1 54 TRP HB3 3.250 . 3.250 2.327 2.266 2.432 . 0 0 "[ . 1 . 2]" 1
71 1 54 TRP H 1 54 TRP HB2 3.260 . 3.260 2.602 2.506 2.693 . 0 0 "[ . 1 . 2]" 1
72 1 28 LYS H 1 29 ILE H 3.800 . 3.800 2.691 2.475 2.956 . 0 0 "[ . 1 . 2]" 1
73 1 29 ILE H 1 29 ILE HB 3.360 . 3.360 2.678 2.579 2.792 . 0 0 "[ . 1 . 2]" 1
74 1 28 LYS HB2 1 29 ILE H 4.610 . 4.610 3.893 2.985 4.278 . 0 0 "[ . 1 . 2]" 1
75 1 28 LYS HB3 1 29 ILE H 4.610 . 4.610 3.435 2.951 4.286 . 0 0 "[ . 1 . 2]" 1
76 1 29 ILE H 1 29 ILE HG12 3.750 . 3.750 3.234 3.022 3.458 . 0 0 "[ . 1 . 2]" 1
77 1 29 ILE H 1 29 ILE MG 4.170 . 4.170 3.793 3.766 3.818 . 0 0 "[ . 1 . 2]" 1
78 1 29 ILE H 1 29 ILE HG13 3.750 . 3.750 1.981 1.846 2.146 . 0 0 "[ . 1 . 2]" 1
79 1 29 ILE H 1 29 ILE MD 4.130 . 4.130 3.546 3.483 3.621 . 0 0 "[ . 1 . 2]" 1
80 1 27 CYS HA 1 29 ILE H 4.600 . 4.600 3.769 3.677 3.916 . 0 0 "[ . 1 . 2]" 1
81 1 60 GLN H 1 60 GLN HB3 3.620 . 3.620 2.819 2.398 3.662 0.042 17 0 "[ . 1 . 2]" 1
82 1 59 GLY H 1 60 GLN H 4.600 . 4.600 3.804 2.671 4.295 . 0 0 "[ . 1 . 2]" 1
83 1 40 GLU HA 1 42 CYS H 4.000 . 4.000 2.686 2.361 2.917 . 0 0 "[ . 1 . 2]" 1
84 1 42 CYS H 1 42 CYS HB2 3.530 . 3.530 2.371 2.264 2.502 . 0 0 "[ . 1 . 2]" 1
85 1 42 CYS H 1 42 CYS HB3 3.890 . 3.890 2.566 2.348 3.568 . 0 0 "[ . 1 . 2]" 1
86 1 42 CYS H 1 68 GLU HB3 4.630 . 4.630 4.627 4.283 4.694 0.064 20 0 "[ . 1 . 2]" 1
87 1 39 ILE MG 1 42 CYS H 4.030 . 4.030 2.983 2.833 3.210 . 0 0 "[ . 1 . 2]" 1
88 1 67 CYS HA 1 68 GLU H 2.830 . 2.830 2.446 2.122 2.874 0.044 3 0 "[ . 1 . 2]" 1
89 1 68 GLU H 1 68 GLU HG3 4.430 . 4.430 2.429 1.813 3.784 . 0 0 "[ . 1 . 2]" 1
90 1 68 GLU H 1 68 GLU HB3 3.650 . 3.650 3.589 3.500 3.669 0.019 13 0 "[ . 1 . 2]" 1
91 1 37 VAL H 1 37 VAL HB 3.950 . 3.950 3.107 2.953 3.216 . 0 0 "[ . 1 . 2]" 1
92 1 37 VAL H 1 75 ILE HG13 4.480 . 4.480 3.526 3.293 3.808 . 0 0 "[ . 1 . 2]" 1
93 1 37 VAL H 1 37 VAL MG2 4.120 . 4.120 3.954 3.875 4.017 . 0 0 "[ . 1 . 2]" 1
94 1 50 CYS HB2 1 51 LEU H 3.720 . 3.720 2.507 2.348 2.624 . 0 0 "[ . 1 . 2]" 1
95 1 50 CYS HB3 1 51 LEU H 3.920 . 3.920 3.683 3.613 3.800 . 0 0 "[ . 1 . 2]" 1
96 1 46 MET HG3 1 51 LEU H 4.370 . 4.370 3.729 3.472 4.007 . 0 0 "[ . 1 . 2]" 1
97 1 51 LEU H 1 51 LEU HB3 3.280 . 3.280 2.509 2.282 2.891 . 0 0 "[ . 1 . 2]" 1
98 1 51 LEU H 1 51 LEU HB2 3.280 . 3.280 2.443 2.149 2.517 . 0 0 "[ . 1 . 2]" 1
99 1 51 LEU H 1 51 LEU MD1 4.370 . 4.370 4.077 4.020 4.202 . 0 0 "[ . 1 . 2]" 1
100 1 51 LEU H 1 51 LEU MD2 4.370 . 4.370 4.219 4.118 4.280 . 0 0 "[ . 1 . 2]" 1
101 1 37 VAL MG1 1 51 LEU H 4.490 . 4.490 3.922 3.711 4.114 . 0 0 "[ . 1 . 2]" 1
102 1 72 THR HA 1 73 GLU H 2.960 . 2.960 2.181 2.123 2.284 . 0 0 "[ . 1 . 2]" 1
103 1 39 ILE HA 1 73 GLU H 4.600 . 4.600 3.852 3.613 4.116 . 0 0 "[ . 1 . 2]" 1
104 1 72 THR HB 1 73 GLU H 3.330 . 3.330 3.107 2.712 3.369 0.039 7 0 "[ . 1 . 2]" 1
105 1 73 GLU H 1 73 GLU HG2 5.500 . 5.500 4.103 2.352 4.751 . 0 0 "[ . 1 . 2]" 1
106 1 73 GLU H 1 73 GLU HG3 5.500 . 5.500 3.812 2.750 4.696 . 0 0 "[ . 1 . 2]" 1
107 1 73 GLU H 1 73 GLU HB2 4.110 . 4.110 2.845 2.543 3.795 . 0 0 "[ . 1 . 2]" 1
108 1 73 GLU H 1 73 GLU HB3 4.110 . 4.110 3.193 2.474 3.849 . 0 0 "[ . 1 . 2]" 1
109 1 38 LYS HB3 1 73 GLU H 4.300 . 4.300 3.172 2.848 3.585 . 0 0 "[ . 1 . 2]" 1
110 1 37 VAL MG2 1 73 GLU H 3.560 . 3.560 3.108 2.900 3.277 . 0 0 "[ . 1 . 2]" 1
111 1 44 HIS H 1 44 HIS HB2 3.810 . 3.810 2.496 2.407 2.572 . 0 0 "[ . 1 . 2]" 1
112 1 44 HIS H 1 44 HIS HB3 3.810 . 3.810 3.696 3.647 3.749 . 0 0 "[ . 1 . 2]" 1
113 1 42 CYS HB3 1 44 HIS H 4.670 . 4.670 2.783 2.595 3.199 . 0 0 "[ . 1 . 2]" 1
114 1 39 ILE HB 1 44 HIS H 3.780 . 3.780 2.870 2.682 3.145 . 0 0 "[ . 1 . 2]" 1
115 1 39 ILE MG 1 44 HIS H 4.390 . 4.390 3.780 3.611 4.099 . 0 0 "[ . 1 . 2]" 1
116 1 15 GLU HB2 1 16 LEU H 4.640 . 4.640 3.910 3.117 4.175 . 0 0 "[ . 1 . 2]" 1
117 1 15 GLU HB3 1 16 LEU H 4.640 . 4.640 3.268 2.761 4.251 . 0 0 "[ . 1 . 2]" 1
118 1 16 LEU H 1 16 LEU HB2 4.010 . 4.010 3.393 2.396 3.729 . 0 0 "[ . 1 . 2]" 1
119 1 33 ASN HD21 1 34 ASP H 5.500 . 5.500 5.241 4.731 5.520 0.020 19 0 "[ . 1 . 2]" 1
120 1 33 ASN HA 1 34 ASP H 2.980 . 2.980 2.355 2.231 2.661 . 0 0 "[ . 1 . 2]" 1
121 1 33 ASN HB2 1 34 ASP H 4.000 . 4.000 3.642 3.257 4.010 0.010 2 0 "[ . 1 . 2]" 1
122 1 33 ASN HB3 1 34 ASP H 3.500 . 3.500 2.465 1.980 3.091 . 0 0 "[ . 1 . 2]" 1
123 1 34 ASP H 1 34 ASP HB3 3.700 . 3.700 3.245 2.257 3.708 0.008 19 0 "[ . 1 . 2]" 1
124 1 66 ARG HB2 1 67 CYS H 4.700 . 4.700 4.262 4.090 4.573 . 0 0 "[ . 1 . 2]" 1
125 1 66 ARG HB3 1 67 CYS H 4.700 . 4.700 4.363 4.093 4.488 . 0 0 "[ . 1 . 2]" 1
126 1 13 GLN HB2 1 14 TYR H 4.680 . 4.680 3.742 2.539 4.438 . 0 0 "[ . 1 . 2]" 1
127 1 13 GLN HB3 1 14 TYR H 4.680 . 4.680 3.752 2.365 4.619 . 0 0 "[ . 1 . 2]" 1
128 1 49 SER H 1 49 SER HB2 3.690 . 3.690 2.571 2.425 2.697 . 0 0 "[ . 1 . 2]" 1
129 1 49 SER H 1 49 SER HB3 3.690 . 3.690 3.355 2.521 3.579 . 0 0 "[ . 1 . 2]" 1
130 1 47 CYS HB3 1 49 SER H 4.690 . 4.690 4.319 4.082 4.535 . 0 0 "[ . 1 . 2]" 1
131 1 10 THR HB 1 12 GLU H 4.930 . 4.930 4.002 2.608 4.846 . 0 0 "[ . 1 . 2]" 1
132 1 12 GLU H 1 12 GLU HG2 5.390 . 5.390 3.841 2.199 5.325 . 0 0 "[ . 1 . 2]" 1
133 1 12 GLU H 1 12 GLU HG3 5.390 . 5.390 3.929 2.637 5.181 . 0 0 "[ . 1 . 2]" 1
134 1 14 TYR QD 1 15 GLU H 4.750 . 4.750 4.499 2.519 4.828 0.078 1 0 "[ . 1 . 2]" 1
135 1 14 TYR HB2 1 15 GLU H 4.490 . 4.490 3.824 2.977 4.158 . 0 0 "[ . 1 . 2]" 1
136 1 15 GLU H 1 15 GLU HG2 5.200 . 5.200 3.946 1.883 4.670 . 0 0 "[ . 1 . 2]" 1
137 1 15 GLU H 1 15 GLU HG3 5.200 . 5.200 4.128 2.418 4.603 . 0 0 "[ . 1 . 2]" 1
138 1 15 GLU H 1 15 GLU HB2 4.180 . 4.180 2.562 2.117 3.619 . 0 0 "[ . 1 . 2]" 1
139 1 15 GLU H 1 15 GLU HB3 4.180 . 4.180 2.612 2.332 3.569 . 0 0 "[ . 1 . 2]" 1
140 1 33 ASN H 1 34 ASP H 4.620 . 4.620 4.508 4.414 4.545 . 0 0 "[ . 1 . 2]" 1
141 1 32 GLU H 1 33 ASN H 3.070 . 3.070 2.167 1.968 2.522 . 0 0 "[ . 1 . 2]" 1
142 1 27 CYS HB3 1 33 ASN H 4.230 . 4.230 3.369 2.998 3.604 . 0 0 "[ . 1 . 2]" 1
143 1 33 ASN H 1 33 ASN HB2 3.510 . 3.510 2.466 2.205 2.616 . 0 0 "[ . 1 . 2]" 1
144 1 33 ASN H 1 33 ASN HB3 3.850 . 3.850 3.612 2.780 3.736 . 0 0 "[ . 1 . 2]" 1
145 1 30 CYS HB3 1 33 ASN H 5.500 . 5.500 4.537 4.248 4.834 . 0 0 "[ . 1 . 2]" 1
146 1 33 ASN H 1 47 CYS HB3 5.500 . 5.500 5.035 4.314 5.506 0.006 5 0 "[ . 1 . 2]" 1
147 1 32 GLU HB2 1 33 ASN H 3.700 . 3.700 2.774 2.145 3.740 0.040 15 0 "[ . 1 . 2]" 1
148 1 26 LEU MD2 1 33 ASN H 5.400 . 5.400 4.043 3.627 5.137 . 0 0 "[ . 1 . 2]" 1
149 1 26 LEU MD1 1 33 ASN H 5.400 . 5.400 5.273 4.664 5.445 0.045 1 0 "[ . 1 . 2]" 1
150 1 47 CYS HB3 1 48 THR H 4.230 . 4.230 3.878 3.800 3.996 . 0 0 "[ . 1 . 2]" 1
151 1 48 THR H 1 48 THR MG 3.780 . 3.780 3.683 3.526 3.770 . 0 0 "[ . 1 . 2]" 1
152 1 37 VAL MG2 1 48 THR H 4.640 . 4.640 4.645 4.494 4.692 0.052 15 0 "[ . 1 . 2]" 1
153 1 37 VAL MG1 1 48 THR H 4.010 . 4.010 2.780 2.679 2.925 . 0 0 "[ . 1 . 2]" 1
154 1 13 GLN H 1 13 GLN HB2 4.190 . 4.190 2.975 2.464 3.729 . 0 0 "[ . 1 . 2]" 1
155 1 13 GLN H 1 13 GLN HB3 4.190 . 4.190 2.980 2.382 3.665 . 0 0 "[ . 1 . 2]" 1
156 1 16 LEU HG 1 17 TYR H 5.200 . 5.200 4.259 2.975 5.336 0.136 6 0 "[ . 1 . 2]" 1
157 1 74 PRO HB3 1 75 ILE H 4.380 . 4.380 3.777 3.377 4.396 0.016 3 0 "[ . 1 . 2]" 1
158 1 75 ILE H 1 75 ILE HG13 3.890 . 3.890 2.435 2.191 2.829 . 0 0 "[ . 1 . 2]" 1
159 1 75 ILE H 1 75 ILE HG12 4.060 . 4.060 3.603 3.338 3.811 . 0 0 "[ . 1 . 2]" 1
160 1 75 ILE H 1 75 ILE HB 3.690 . 3.690 2.701 2.526 3.691 0.001 3 0 "[ . 1 . 2]" 1
161 1 47 CYS H 1 47 CYS HB2 4.090 . 4.090 3.681 3.623 3.748 . 0 0 "[ . 1 . 2]" 1
162 1 27 CYS HA 1 47 CYS H 5.010 . 5.010 4.052 3.719 4.408 . 0 0 "[ . 1 . 2]" 1
163 1 47 CYS H 1 50 CYS HB2 4.210 . 4.210 3.455 3.281 3.700 . 0 0 "[ . 1 . 2]" 1
164 1 46 MET HG3 1 47 CYS H 3.690 . 3.690 3.094 2.912 3.245 . 0 0 "[ . 1 . 2]" 1
165 1 37 VAL MG1 1 47 CYS H 4.620 . 4.620 3.863 3.705 4.016 . 0 0 "[ . 1 . 2]" 1
166 1 54 TRP H 1 56 GLU H 4.390 . 4.390 4.043 3.887 4.292 . 0 0 "[ . 1 . 2]" 1
167 1 53 SER HA 1 56 GLU H 4.010 . 4.010 3.628 3.321 3.895 . 0 0 "[ . 1 . 2]" 1
168 1 56 GLU H 1 57 SER HB2 5.500 . 5.500 4.682 4.252 5.021 . 0 0 "[ . 1 . 2]" 1
169 1 56 GLU H 1 57 SER HB3 5.500 . 5.500 4.988 4.585 5.668 0.168 20 0 "[ . 1 . 2]" 1
170 1 55 GLN HB2 1 56 GLU H 3.850 . 3.850 2.882 2.581 3.179 . 0 0 "[ . 1 . 2]" 1
171 1 56 GLU H 1 56 GLU HG3 4.450 . 4.450 3.017 2.289 3.952 . 0 0 "[ . 1 . 2]" 1
172 1 52 THR MG 1 56 GLU H 4.710 . 4.710 3.897 3.647 4.202 . 0 0 "[ . 1 . 2]" 1
173 1 80 PHE H 1 81 ASP H 3.990 . 3.990 2.874 2.177 4.021 0.031 20 0 "[ . 1 . 2]" 1
174 1 80 PHE H 1 80 PHE QD 4.590 . 4.590 3.649 2.311 4.433 . 0 0 "[ . 1 . 2]" 1
175 1 80 PHE H 1 80 PHE HB2 3.860 . 3.860 2.773 2.416 3.661 . 0 0 "[ . 1 . 2]" 1
176 1 34 ASP HA 1 35 LYS H 3.250 . 3.250 2.337 2.126 2.538 . 0 0 "[ . 1 . 2]" 1
177 1 26 LEU HA 1 35 LYS H 4.100 . 4.100 3.294 2.559 4.043 . 0 0 "[ . 1 . 2]" 1
178 1 35 LYS HB2 1 36 ASP H 4.610 . 4.610 4.069 3.364 4.613 0.003 6 0 "[ . 1 . 2]" 1
179 1 35 LYS HB3 1 36 ASP H 4.610 . 4.610 4.060 3.397 4.505 . 0 0 "[ . 1 . 2]" 1
180 1 35 LYS HA 1 36 ASP H 3.240 . 3.240 2.102 1.947 2.274 . 0 0 "[ . 1 . 2]" 1
181 1 64 PHE H 1 66 ARG H 4.740 . 4.740 3.489 3.089 3.729 . 0 0 "[ . 1 . 2]" 1
182 1 62 CYS HB2 1 66 ARG H 3.760 . 3.760 2.626 2.316 2.997 . 0 0 "[ . 1 . 2]" 1
183 1 66 ARG H 1 66 ARG HG2 4.730 . 4.730 3.611 3.198 4.717 . 0 0 "[ . 1 . 2]" 1
184 1 45 LEU H 1 45 LEU MD2 4.190 . 4.190 2.853 1.957 3.653 . 0 0 "[ . 1 . 2]" 1
185 1 45 LEU H 1 45 LEU MD1 4.190 . 4.190 3.463 2.653 3.822 . 0 0 "[ . 1 . 2]" 1
186 1 44 HIS HA 1 45 LEU H 2.950 . 2.950 2.172 2.093 2.259 . 0 0 "[ . 1 . 2]" 1
187 1 44 HIS HB2 1 45 LEU H 4.260 . 4.260 4.016 3.877 4.161 . 0 0 "[ . 1 . 2]" 1
188 1 44 HIS HB3 1 45 LEU H 4.260 . 4.260 2.823 2.629 3.084 . 0 0 "[ . 1 . 2]" 1
189 1 45 LEU H 1 45 LEU HB2 3.910 . 3.910 2.609 2.326 2.718 . 0 0 "[ . 1 . 2]" 1
190 1 45 LEU H 1 45 LEU HB3 3.910 . 3.910 3.687 3.524 3.778 . 0 0 "[ . 1 . 2]" 1
191 1 54 TRP HB2 1 55 GLN H 4.000 . 4.000 3.940 3.870 4.011 0.011 1 0 "[ . 1 . 2]" 1
192 1 55 GLN H 1 55 GLN HB3 3.800 . 3.800 3.633 3.566 3.667 . 0 0 "[ . 1 . 2]" 1
193 1 54 TRP HB3 1 55 GLN H 3.600 . 3.600 2.604 2.493 2.780 . 0 0 "[ . 1 . 2]" 1
194 1 55 GLN H 1 55 GLN HG3 3.820 . 3.820 2.453 2.184 3.489 . 0 0 "[ . 1 . 2]" 1
195 1 32 GLU H 1 33 ASN HB2 4.660 . 4.660 4.427 4.107 4.690 0.030 5 0 "[ . 1 . 2]" 1
196 1 30 CYS HB3 1 32 GLU H 5.180 . 5.180 4.270 4.063 4.623 . 0 0 "[ . 1 . 2]" 1
197 1 32 GLU H 1 32 GLU HG2 4.890 . 4.890 3.805 2.575 4.839 . 0 0 "[ . 1 . 2]" 1
198 1 32 GLU H 1 32 GLU HB2 3.910 . 3.910 2.611 2.278 3.252 . 0 0 "[ . 1 . 2]" 1
199 1 32 GLU H 1 32 GLU HB3 3.910 . 3.910 3.375 2.459 3.773 . 0 0 "[ . 1 . 2]" 1
200 1 64 PHE H 1 64 PHE HB3 3.680 . 3.680 3.642 3.601 3.691 0.011 20 0 "[ . 1 . 2]" 1
201 1 53 SER H 1 55 GLN H 5.020 . 5.020 4.200 4.087 4.402 . 0 0 "[ . 1 . 2]" 1
202 1 53 SER H 1 56 GLU H 5.500 . 5.500 4.672 4.527 4.760 . 0 0 "[ . 1 . 2]" 1
203 1 53 SER H 1 53 SER HB2 3.110 . 3.110 2.345 2.052 2.495 . 0 0 "[ . 1 . 2]" 1
204 1 52 THR MG 1 53 SER H 3.780 . 3.780 3.644 3.504 3.778 . 0 0 "[ . 1 . 2]" 1
205 1 9 VAL HB 1 10 THR H 4.290 . 4.290 3.814 2.482 4.358 0.068 3 0 "[ . 1 . 2]" 1
206 1 10 THR H 1 10 THR MG 3.890 . 3.890 3.424 2.388 3.907 0.017 20 0 "[ . 1 . 2]" 1
207 1 30 CYS H 1 30 CYS HB2 4.120 . 4.120 3.561 3.508 3.658 . 0 0 "[ . 1 . 2]" 1
208 1 30 CYS H 1 30 CYS HB3 3.750 . 3.750 3.188 3.071 3.308 . 0 0 "[ . 1 . 2]" 1
209 1 29 ILE HB 1 30 CYS H 3.220 . 3.220 2.563 2.402 2.796 . 0 0 "[ . 1 . 2]" 1
210 1 29 ILE MG 1 30 CYS H 3.800 . 3.800 3.634 3.402 3.825 0.025 14 0 "[ . 1 . 2]" 1
211 1 29 ILE MD 1 30 CYS H 4.580 . 4.580 4.439 4.317 4.592 0.012 3 0 "[ . 1 . 2]" 1
212 1 55 GLN H 1 58 GLU H 5.500 . 5.500 5.198 4.585 5.482 . 0 0 "[ . 1 . 2]" 1
213 1 58 GLU H 1 58 GLU HA 2.920 . 2.920 2.228 2.146 2.748 . 0 0 "[ . 1 . 2]" 1
214 1 58 GLU H 1 58 GLU HG2 4.800 . 4.800 3.773 3.075 4.828 0.028 10 0 "[ . 1 . 2]" 1
215 1 50 CYS H 1 52 THR H 4.730 . 4.730 4.297 4.121 4.528 . 0 0 "[ . 1 . 2]" 1
216 1 48 THR HA 1 52 THR H 4.040 . 4.040 3.614 3.403 3.849 . 0 0 "[ . 1 . 2]" 1
217 1 51 LEU HB3 1 52 THR H 3.490 . 3.490 2.580 2.376 2.799 . 0 0 "[ . 1 . 2]" 1
218 1 51 LEU HB2 1 52 THR H 3.950 . 3.950 3.872 3.440 3.996 0.046 5 0 "[ . 1 . 2]" 1
219 1 36 ASP H 1 46 MET H 4.720 . 4.720 4.190 3.703 4.618 . 0 0 "[ . 1 . 2]" 1
220 1 45 LEU HA 1 46 MET H 2.970 . 2.970 2.206 2.162 2.307 . 0 0 "[ . 1 . 2]" 1
221 1 38 LYS HA 1 46 MET H 4.510 . 4.510 3.747 3.513 4.054 . 0 0 "[ . 1 . 2]" 1
222 1 46 MET H 1 46 MET HG3 4.010 . 4.010 3.613 3.511 3.790 . 0 0 "[ . 1 . 2]" 1
223 1 46 MET H 1 46 MET HG2 3.480 . 3.480 2.642 2.494 2.836 . 0 0 "[ . 1 . 2]" 1
224 1 35 LYS HB2 1 46 MET H 4.840 . 4.840 3.904 2.671 4.881 0.041 11 0 "[ . 1 . 2]" 1
225 1 35 LYS HB3 1 46 MET H 4.840 . 4.840 3.687 2.964 4.841 0.001 6 0 "[ . 1 . 2]" 1
226 1 45 LEU HB3 1 46 MET H 4.240 . 4.240 3.243 2.931 3.545 . 0 0 "[ . 1 . 2]" 1
227 1 37 VAL MG1 1 46 MET H 3.680 . 3.680 3.154 3.035 3.354 . 0 0 "[ . 1 . 2]" 1
228 1 56 GLU H 1 57 SER H 3.400 . 3.400 2.488 2.215 2.694 . 0 0 "[ . 1 . 2]" 1
229 1 54 TRP HA 1 57 SER H 4.340 . 4.340 3.573 3.295 3.807 . 0 0 "[ . 1 . 2]" 1
230 1 56 GLU HB2 1 57 SER H 4.180 . 4.180 3.325 2.928 4.183 0.003 14 0 "[ . 1 . 2]" 1
231 1 56 GLU HB3 1 57 SER H 4.180 . 4.180 4.010 3.798 4.211 0.031 9 0 "[ . 1 . 2]" 1
232 1 39 ILE MG 1 43 GLY H 4.410 . 4.410 3.581 3.461 3.891 . 0 0 "[ . 1 . 2]" 1
233 1 60 GLN HB2 1 61 GLY H 4.770 . 4.770 4.330 3.847 4.523 . 0 0 "[ . 1 . 2]" 1
234 1 60 GLN HB3 1 61 GLY H 4.770 . 4.770 4.310 3.596 4.614 . 0 0 "[ . 1 . 2]" 1
235 1 61 GLY H 1 69 ILE MD 4.570 . 4.570 2.649 2.094 3.139 . 0 0 "[ . 1 . 2]" 1
236 1 72 THR H 1 73 GLU H 4.560 . 4.560 4.261 4.107 4.390 . 0 0 "[ . 1 . 2]" 1
237 1 71 GLY HA2 1 72 THR H 3.110 . 3.110 2.504 2.384 2.750 . 0 0 "[ . 1 . 2]" 1
238 1 72 THR H 1 72 THR MG 3.670 . 3.670 3.235 2.958 3.449 . 0 0 "[ . 1 . 2]" 1
239 1 55 GLN HA 1 59 GLY H 3.770 . 3.770 2.331 1.871 3.283 . 0 0 "[ . 1 . 2]" 1
240 1 58 GLU HA 1 59 GLY H 3.460 . 3.460 2.195 1.995 3.509 0.049 11 0 "[ . 1 . 2]" 1
241 1 40 GLU HB3 1 71 GLY H 4.650 . 4.650 4.100 3.637 4.657 0.007 2 0 "[ . 1 . 2]" 1
242 1 39 ILE MG 1 71 GLY H 4.260 . 4.260 3.889 3.564 4.178 . 0 0 "[ . 1 . 2]" 1
243 1 69 ILE HA 1 71 GLY H 4.870 . 4.870 3.783 3.391 4.285 . 0 0 "[ . 1 . 2]" 1
244 1 54 TRP HE1 1 63 PRO HA 4.220 . 4.220 3.149 2.909 3.592 . 0 0 "[ . 1 . 2]" 1
245 1 54 TRP HE1 1 69 ILE MD 4.430 . 4.430 3.509 3.284 3.796 . 0 0 "[ . 1 . 2]" 1
246 1 54 TRP HE1 1 63 PRO HB3 4.750 . 4.750 4.424 4.233 4.730 . 0 0 "[ . 1 . 2]" 1
247 1 64 PHE H 1 65 CYS H 3.510 . 3.510 2.688 2.213 2.963 . 0 0 "[ . 1 . 2]" 1
248 1 65 CYS H 1 67 CYS H 4.690 . 4.690 3.991 3.699 4.687 . 0 0 "[ . 1 . 2]" 1
249 1 65 CYS H 1 66 ARG HA 4.360 . 4.360 4.379 4.289 4.407 0.047 7 0 "[ . 1 . 2]" 1
250 1 62 CYS HB3 1 65 CYS H 4.400 . 4.400 3.802 3.229 4.125 . 0 0 "[ . 1 . 2]" 1
251 1 64 PHE HB3 1 65 CYS H 3.830 . 3.830 2.959 2.676 3.217 . 0 0 "[ . 1 . 2]" 1
252 1 81 ASP H 1 81 ASP HB2 4.100 . 4.100 3.389 2.617 4.010 . 0 0 "[ . 1 . 2]" 1
253 1 81 ASP H 1 81 ASP HB3 4.100 . 4.100 3.068 2.605 3.742 . 0 0 "[ . 1 . 2]" 1
254 1 29 ILE HB 1 31 ALA H 4.770 . 4.770 4.603 4.457 4.782 0.012 8 0 "[ . 1 . 2]" 1
255 1 30 CYS H 1 32 GLU H 4.560 . 4.560 3.983 3.797 4.568 0.008 19 0 "[ . 1 . 2]" 1
256 1 76 VAL H 1 77 VAL H 4.800 . 4.800 3.488 2.915 4.106 . 0 0 "[ . 1 . 2]" 1
257 1 55 GLN HB3 1 56 GLU H 4.100 . 4.100 3.769 3.431 4.016 . 0 0 "[ . 1 . 2]" 1
258 1 14 TYR H 1 15 GLU H 4.500 . 4.500 2.514 1.953 2.804 . 0 0 "[ . 1 . 2]" 1
259 1 27 CYS H 1 35 LYS H 5.070 . 5.070 3.750 3.449 4.482 . 0 0 "[ . 1 . 2]" 1
260 1 57 SER H 1 59 GLY H 5.250 . 5.250 4.502 4.011 5.127 . 0 0 "[ . 1 . 2]" 1
261 1 75 ILE MD 1 76 VAL H 5.040 . 5.040 4.673 3.677 5.052 0.012 16 0 "[ . 1 . 2]" 1
262 1 40 GLU HA 1 43 GLY H 3.600 . 3.600 2.772 2.489 3.149 . 0 0 "[ . 1 . 2]" 1
263 1 41 PRO HA 1 43 GLY H 5.070 . 5.070 4.093 3.778 4.372 . 0 0 "[ . 1 . 2]" 1
264 1 16 LEU H 1 17 TYR H 4.120 . 4.120 2.746 2.441 3.109 . 0 0 "[ . 1 . 2]" 1
265 1 38 LYS H 1 74 PRO HA 4.210 . 4.210 3.692 3.547 3.866 . 0 0 "[ . 1 . 2]" 1
266 1 43 GLY H 1 44 HIS H 3.430 . 3.430 2.274 2.197 2.411 . 0 0 "[ . 1 . 2]" 1
267 1 46 MET H 1 47 CYS H 4.910 . 4.910 4.331 4.291 4.397 . 0 0 "[ . 1 . 2]" 1
268 1 37 VAL HA 1 73 GLU H 4.430 . 4.430 4.386 4.239 4.454 0.024 17 0 "[ . 1 . 2]" 1
269 1 10 THR MG 1 11 GLN H 4.900 . 4.900 3.423 2.466 3.835 . 0 0 "[ . 1 . 2]" 1
270 1 12 GLU H 1 13 GLN H 4.820 . 4.820 3.429 1.862 4.491 . 0 0 "[ . 1 . 2]" 1
271 1 71 GLY H 1 72 THR H 4.750 . 4.750 4.330 4.215 4.434 . 0 0 "[ . 1 . 2]" 1
272 1 54 TRP HE1 1 60 GLN H 4.610 . 4.610 3.734 2.719 4.408 . 0 0 "[ . 1 . 2]" 1
273 1 37 VAL HB 1 48 THR H 4.910 . 4.910 3.322 3.114 3.442 . 0 0 "[ . 1 . 2]" 1
274 1 46 MET ME 1 46 MET HG2 3.650 . 3.650 2.458 2.422 2.479 . 0 0 "[ . 1 . 2]" 1
275 1 46 MET HA 1 46 MET ME 4.470 . 4.470 4.099 4.061 4.148 . 0 0 "[ . 1 . 2]" 1
276 1 81 ASP HA 1 82 PRO HD2 3.540 . 3.540 2.339 2.031 2.780 . 0 0 "[ . 1 . 2]" 1
277 1 38 LYS HG2 1 43 GLY HA2 4.210 . 4.210 3.200 2.189 3.714 . 0 0 "[ . 1 . 2]" 1
278 1 39 ILE MG 1 43 GLY HA2 5.340 . 5.340 5.354 5.248 5.394 0.054 13 0 "[ . 1 . 2]" 1
279 1 8 LYS HB2 1 8 LYS HE2 5.320 . 5.320 3.911 1.987 5.365 0.045 18 0 "[ . 1 . 2]" 1
280 1 8 LYS HB2 1 8 LYS HE3 5.320 . 5.320 3.771 2.003 4.758 . 0 0 "[ . 1 . 2]" 1
281 1 38 LYS HE2 1 43 GLY HA3 5.480 . 5.480 4.058 3.130 5.486 0.006 11 0 "[ . 1 . 2]" 1
282 1 38 LYS HE3 1 43 GLY HA3 5.480 . 5.480 5.101 3.665 5.571 0.091 7 0 "[ . 1 . 2]" 1
283 1 33 ASN HB3 1 47 CYS HB2 4.150 . 4.150 3.061 2.794 3.477 . 0 0 "[ . 1 . 2]" 1
284 1 38 LYS HB2 1 75 ILE HG12 4.230 . 4.230 2.070 1.893 2.260 . 0 0 "[ . 1 . 2]" 1
285 1 27 CYS HB2 1 47 CYS HB2 5.500 . 5.500 4.126 3.830 4.417 . 0 0 "[ . 1 . 2]" 1
286 1 27 CYS HB2 1 47 CYS HB3 4.180 . 4.180 2.545 2.216 2.863 . 0 0 "[ . 1 . 2]" 1
287 1 30 CYS HB2 1 31 ALA H 4.480 . 4.480 3.687 3.589 3.793 . 0 0 "[ . 1 . 2]" 1
288 1 62 CYS HB3 1 67 CYS H 4.820 . 4.820 4.653 4.432 4.870 0.050 15 0 "[ . 1 . 2]" 1
289 1 39 ILE MG 1 62 CYS HB3 4.360 . 4.360 4.303 3.915 4.411 0.051 20 0 "[ . 1 . 2]" 1
290 1 29 ILE MD 1 63 PRO HB2 4.250 . 4.250 2.794 2.351 3.176 . 0 0 "[ . 1 . 2]" 1
291 1 29 ILE MD 1 63 PRO HB3 4.170 . 4.170 3.503 3.207 3.755 . 0 0 "[ . 1 . 2]" 1
292 1 39 ILE MD 1 63 PRO HG2 5.050 . 5.050 5.016 4.792 5.070 0.020 13 0 "[ . 1 . 2]" 1
293 1 51 LEU HA 1 63 PRO HG3 4.290 . 4.290 3.159 2.905 3.394 . 0 0 "[ . 1 . 2]" 1
294 1 45 LEU MD2 1 75 ILE MD 3.980 . 3.980 2.936 1.898 4.008 0.028 10 0 "[ . 1 . 2]" 1
295 1 16 LEU HA 1 16 LEU MD1 4.130 . 4.130 3.733 2.786 4.134 0.004 20 0 "[ . 1 . 2]" 1
296 1 37 VAL MG2 1 51 LEU HG 4.970 . 4.970 4.480 2.932 4.857 . 0 0 "[ . 1 . 2]" 1
297 1 37 VAL HB 1 48 THR MG 4.100 . 4.100 3.482 2.771 3.983 . 0 0 "[ . 1 . 2]" 1
298 1 29 ILE MG 1 30 CYS HA 4.240 . 4.240 3.693 3.454 3.937 . 0 0 "[ . 1 . 2]" 1
299 1 29 ILE MG 1 50 CYS HB3 3.860 . 3.860 2.495 2.177 3.109 . 0 0 "[ . 1 . 2]" 1
300 1 39 ILE HB 1 46 MET ME 4.230 . 4.230 3.870 3.558 4.186 . 0 0 "[ . 1 . 2]" 1
301 1 46 MET ME 1 63 PRO HG2 3.870 . 3.870 2.654 2.373 2.852 . 0 0 "[ . 1 . 2]" 1
302 1 46 MET ME 1 62 CYS HA 4.190 . 4.190 3.448 3.279 3.811 . 0 0 "[ . 1 . 2]" 1
303 1 46 MET ME 1 63 PRO HD3 3.740 . 3.740 3.635 3.435 3.743 0.003 14 0 "[ . 1 . 2]" 1
304 1 46 MET ME 1 63 PRO HD2 3.840 . 3.840 2.079 1.906 2.168 . 0 0 "[ . 1 . 2]" 1
305 1 46 MET ME 1 63 PRO HG3 4.240 . 4.240 3.634 3.259 3.844 . 0 0 "[ . 1 . 2]" 1
306 1 29 ILE MD 1 46 MET ME 3.930 . 3.930 2.843 2.428 3.415 . 0 0 "[ . 1 . 2]" 1
307 1 38 LYS HB2 1 75 ILE MD 4.220 . 4.220 2.430 2.012 2.759 . 0 0 "[ . 1 . 2]" 1
308 1 39 ILE MG 1 69 ILE MD 3.630 . 3.630 3.188 3.105 3.296 . 0 0 "[ . 1 . 2]" 1
309 1 29 ILE MD 1 46 MET HB2 4.610 . 4.610 2.541 2.271 3.312 . 0 0 "[ . 1 . 2]" 1
310 1 29 ILE MD 1 46 MET HB3 4.610 . 4.610 3.115 2.792 3.898 . 0 0 "[ . 1 . 2]" 1
311 1 7 ILE HA 1 7 ILE MD 4.190 . 4.190 3.471 2.076 4.221 0.031 1 0 "[ . 1 . 2]" 1
312 1 55 GLN HA 1 58 GLU HA 4.500 . 4.500 3.734 3.330 4.570 0.070 12 0 "[ . 1 . 2]" 1
313 1 39 ILE MD 1 63 PRO HD3 4.550 . 4.550 4.584 4.567 4.612 0.062 9 0 "[ . 1 . 2]" 1
314 1 39 ILE MD 1 63 PRO HD2 4.990 . 4.990 3.856 3.755 3.930 . 0 0 "[ . 1 . 2]" 1
315 1 28 LYS HA 1 28 LYS HD2 5.490 . 5.490 3.771 1.961 4.851 . 0 0 "[ . 1 . 2]" 1
316 1 28 LYS HA 1 28 LYS HD3 5.490 . 5.490 3.830 2.171 4.918 . 0 0 "[ . 1 . 2]" 1
317 1 17 TYR HA 1 17 TYR QD 4.250 . 4.250 3.754 3.683 3.778 . 0 0 "[ . 1 . 2]" 1
318 1 77 VAL HA 1 77 VAL MG1 3.600 . 3.600 2.247 2.071 2.364 . 0 0 "[ . 1 . 2]" 1
319 1 51 LEU HA 1 54 TRP HB2 4.130 . 4.130 3.806 3.508 4.053 . 0 0 "[ . 1 . 2]" 1
320 1 68 GLU HA 1 68 GLU HG2 3.900 . 3.900 2.972 2.396 3.704 . 0 0 "[ . 1 . 2]" 1
321 1 62 CYS HB2 1 66 ARG HA 3.780 . 3.780 3.707 3.350 3.815 0.035 13 0 "[ . 1 . 2]" 1
322 1 39 ILE MD 1 62 CYS HA 4.600 . 4.600 4.224 3.935 4.474 . 0 0 "[ . 1 . 2]" 1
323 1 16 LEU HA 1 18 CYS H 4.050 . 4.050 3.410 2.965 3.886 . 0 0 "[ . 1 . 2]" 1
324 1 8 LYS HA 1 9 VAL HA 4.510 . 4.510 4.358 4.213 4.515 0.005 10 0 "[ . 1 . 2]" 1
325 1 26 LEU HB2 1 31 ALA HA 4.970 . 4.970 3.852 3.318 4.392 . 0 0 "[ . 1 . 2]" 1
326 1 50 CYS HA 1 54 TRP H 4.740 . 4.740 4.203 3.863 4.556 . 0 0 "[ . 1 . 2]" 1
327 1 52 THR HA 1 55 GLN HB2 4.130 . 4.130 2.661 2.318 3.085 . 0 0 "[ . 1 . 2]" 1
328 1 71 GLY HA2 1 72 THR MG 4.300 . 4.300 3.648 3.468 3.865 . 0 0 "[ . 1 . 2]" 1
329 1 68 GLU HA 1 69 ILE MG 5.500 . 5.500 5.506 5.432 5.534 0.034 7 0 "[ . 1 . 2]" 1
330 1 78 ASP HA 1 79 PRO HD2 3.440 . 3.440 2.579 2.225 3.190 . 0 0 "[ . 1 . 2]" 1
331 1 70 LYS HA 1 71 GLY HA3 5.080 . 5.080 5.007 4.903 5.100 0.020 19 0 "[ . 1 . 2]" 1
332 1 70 LYS HA 1 71 GLY HA2 4.590 . 4.590 4.510 4.419 4.585 . 0 0 "[ . 1 . 2]" 1
333 1 37 VAL MG2 1 72 THR MG 3.510 . 3.510 2.371 2.151 2.586 . 0 0 "[ . 1 . 2]" 1
334 1 37 VAL MG2 1 39 ILE MD 3.600 . 3.600 2.959 2.784 3.145 . 0 0 "[ . 1 . 2]" 1
335 1 26 LEU MD1 1 31 ALA MB 4.830 . 4.830 3.232 2.593 4.864 0.034 14 0 "[ . 1 . 2]" 1
336 1 23 THR MG 1 26 LEU MD1 4.730 . 4.730 2.711 1.892 3.692 . 0 0 "[ . 1 . 2]" 1
337 1 41 PRO HD2 1 70 LYS H 4.390 . 4.390 3.452 3.221 3.683 . 0 0 "[ . 1 . 2]" 1
338 1 49 SER HB2 1 50 CYS H 3.790 . 3.790 2.628 2.194 3.795 0.005 12 0 "[ . 1 . 2]" 1
339 1 82 PRO HA 1 83 ARG H 3.570 . 3.570 2.895 2.149 3.568 . 0 0 "[ . 1 . 2]" 1
340 1 83 ARG H 1 83 ARG HB2 4.000 . 4.000 3.245 2.354 4.027 0.027 5 0 "[ . 1 . 2]" 1
341 1 38 LYS HB3 1 39 ILE H 4.690 . 4.690 4.304 4.190 4.420 . 0 0 "[ . 1 . 2]" 1
342 1 38 LYS HB2 1 39 ILE H 5.020 . 5.020 4.259 4.171 4.334 . 0 0 "[ . 1 . 2]" 1
343 1 38 LYS HG3 1 39 ILE H 4.160 . 4.160 3.352 2.952 3.599 . 0 0 "[ . 1 . 2]" 1
344 1 69 ILE H 1 69 ILE MD 4.220 . 4.220 4.153 3.938 4.263 0.043 7 0 "[ . 1 . 2]" 1
345 1 40 GLU H 1 72 THR HA 3.790 . 3.790 2.797 2.597 3.105 . 0 0 "[ . 1 . 2]" 1
346 1 40 GLU H 1 40 GLU HB3 3.910 . 3.910 3.564 2.903 3.734 . 0 0 "[ . 1 . 2]" 1
347 1 61 GLY HA2 1 62 CYS H 3.300 . 3.300 2.459 2.261 2.624 . 0 0 "[ . 1 . 2]" 1
348 1 62 CYS H 1 62 CYS HB2 3.150 . 3.150 2.852 2.720 2.946 . 0 0 "[ . 1 . 2]" 1
349 1 62 CYS H 1 69 ILE HG13 4.030 . 4.030 2.863 2.740 3.028 . 0 0 "[ . 1 . 2]" 1
350 1 60 GLN H 1 60 GLN HB2 3.620 . 3.620 2.916 2.402 3.677 0.057 18 0 "[ . 1 . 2]" 1
351 1 41 PRO HD3 1 42 CYS H 4.040 . 4.040 3.733 3.553 3.911 . 0 0 "[ . 1 . 2]" 1
352 1 41 PRO HG2 1 42 CYS H 3.890 . 3.890 3.472 3.199 3.719 . 0 0 "[ . 1 . 2]" 1
353 1 68 GLU H 1 68 GLU HG2 4.430 . 4.430 3.358 2.433 3.745 . 0 0 "[ . 1 . 2]" 1
354 1 68 GLU H 1 68 GLU HB2 3.090 . 3.090 2.638 2.350 3.005 . 0 0 "[ . 1 . 2]" 1
355 1 67 CYS HB2 1 68 GLU H 3.620 . 3.620 2.383 1.781 3.640 0.020 5 0 "[ . 1 . 2]" 1
356 1 35 LYS HA 1 37 VAL H 3.980 . 3.980 3.480 3.301 3.707 . 0 0 "[ . 1 . 2]" 1
357 1 72 THR MG 1 73 GLU H 3.970 . 3.970 3.688 3.535 3.829 . 0 0 "[ . 1 . 2]" 1
358 1 34 ASP H 1 34 ASP HB2 3.700 . 3.700 2.877 2.375 3.651 . 0 0 "[ . 1 . 2]" 1
359 1 62 CYS HB2 1 67 CYS H 3.450 . 3.450 3.093 2.785 3.350 . 0 0 "[ . 1 . 2]" 1
360 1 67 CYS H 1 67 CYS HB3 3.800 . 3.800 2.882 2.510 3.356 . 0 0 "[ . 1 . 2]" 1
361 1 47 CYS HB2 1 49 SER H 4.060 . 4.060 2.634 2.368 2.876 . 0 0 "[ . 1 . 2]" 1
362 1 48 THR MG 1 49 SER H 4.330 . 4.330 3.851 3.746 3.997 . 0 0 "[ . 1 . 2]" 1
363 1 32 GLU HB3 1 33 ASN H 3.700 . 3.700 3.119 2.090 3.712 0.012 20 0 "[ . 1 . 2]" 1
364 1 47 CYS H 1 47 CYS HB3 4.050 . 4.050 2.996 2.925 3.083 . 0 0 "[ . 1 . 2]" 1
365 1 27 CYS HB2 1 47 CYS H 4.170 . 4.170 2.673 2.422 3.100 . 0 0 "[ . 1 . 2]" 1
366 1 33 ASN HD21 1 47 CYS HB2 4.150 . 4.150 3.430 3.006 4.183 0.033 1 0 "[ . 1 . 2]" 1
367 1 45 LEU H 1 45 LEU HG 4.330 . 4.330 3.350 2.399 4.364 0.034 18 0 "[ . 1 . 2]" 1
368 1 52 THR HA 1 55 GLN H 4.140 . 4.140 3.336 3.147 3.567 . 0 0 "[ . 1 . 2]" 1
369 1 55 GLN H 1 55 GLN HG2 3.820 . 3.820 3.476 2.417 3.719 . 0 0 "[ . 1 . 2]" 1
370 1 55 GLN H 1 55 GLN HB2 3.200 . 3.200 2.493 2.354 2.582 . 0 0 "[ . 1 . 2]" 1
371 1 30 CYS HB2 1 32 GLU H 4.470 . 4.470 2.794 2.558 3.109 . 0 0 "[ . 1 . 2]" 1
372 1 64 PHE H 1 64 PHE HB2 3.680 . 3.680 2.478 2.367 2.541 . 0 0 "[ . 1 . 2]" 1
373 1 63 PRO HB2 1 64 PHE H 4.210 . 4.210 3.341 2.949 3.754 . 0 0 "[ . 1 . 2]" 1
374 1 50 CYS HA 1 53 SER H 4.170 . 4.170 3.830 3.596 4.092 . 0 0 "[ . 1 . 2]" 1
375 1 52 THR H 1 53 SER HB2 5.500 . 5.500 4.682 4.041 5.122 . 0 0 "[ . 1 . 2]" 1
376 1 52 THR H 1 53 SER HB3 5.500 . 5.500 5.183 4.803 5.645 0.145 14 0 "[ . 1 . 2]" 1
377 1 58 GLU HG2 1 59 GLY H 5.500 . 5.500 4.343 2.910 5.155 . 0 0 "[ . 1 . 2]" 1
378 1 58 GLU HG3 1 59 GLY H 5.500 . 5.500 4.907 3.888 5.560 0.060 2 0 "[ . 1 . 2]" 1
379 1 70 LYS HB3 1 71 GLY H 4.220 . 4.220 3.006 2.270 4.077 . 0 0 "[ . 1 . 2]" 1
380 1 40 GLU HB2 1 71 GLY H 4.650 . 4.650 3.091 2.497 4.330 . 0 0 "[ . 1 . 2]" 1
381 1 64 PHE HB2 1 65 CYS H 3.830 . 3.830 1.969 1.797 2.157 . 0 0 "[ . 1 . 2]" 1
382 1 62 CYS HB2 1 65 CYS H 3.790 . 3.790 2.570 2.108 2.759 . 0 0 "[ . 1 . 2]" 1
383 1 54 TRP HE1 1 63 PRO HD3 4.470 . 4.470 3.554 3.342 3.755 . 0 0 "[ . 1 . 2]" 1
384 1 83 ARG H 1 83 ARG HD2 5.500 . 5.500 4.876 1.862 5.524 0.024 7 0 "[ . 1 . 2]" 1
385 1 83 ARG H 1 83 ARG HD3 5.500 . 5.500 4.747 3.533 5.565 0.065 3 0 "[ . 1 . 2]" 1
386 1 38 LYS H 1 73 GLU HB2 5.500 . 5.500 4.435 3.392 5.129 . 0 0 "[ . 1 . 2]" 1
387 1 38 LYS H 1 73 GLU HB3 5.500 . 5.500 4.338 3.400 5.507 0.007 8 0 "[ . 1 . 2]" 1
388 1 68 GLU HB3 1 69 ILE H 4.430 . 4.430 3.444 3.128 3.711 . 0 0 "[ . 1 . 2]" 1
389 1 76 VAL H 1 77 VAL HA 5.110 . 5.110 4.533 3.971 4.988 . 0 0 "[ . 1 . 2]" 1
390 1 4 GLN HG2 1 5 ASP H 5.060 . 5.060 4.422 2.816 5.085 0.025 8 0 "[ . 1 . 2]" 1
391 1 13 GLN H 1 13 GLN HG2 5.060 . 5.060 3.147 1.814 4.784 . 0 0 "[ . 1 . 2]" 1
392 1 26 LEU HB3 1 32 GLU H 4.940 . 4.940 4.461 3.540 5.028 0.088 19 0 "[ . 1 . 2]" 1
393 1 31 ALA MB 1 32 GLU H 4.440 . 4.440 3.416 2.729 3.605 . 0 0 "[ . 1 . 2]" 1
394 1 46 MET ME 1 64 PHE H 4.320 . 4.320 3.366 3.189 3.591 . 0 0 "[ . 1 . 2]" 1
395 1 30 CYS H 1 31 ALA MB 4.400 . 4.400 4.319 4.204 4.403 0.003 17 0 "[ . 1 . 2]" 1
396 1 61 GLY H 1 66 ARG HA 4.900 . 4.900 4.593 3.871 4.937 0.037 14 0 "[ . 1 . 2]" 1
397 1 23 THR MG 1 24 PHE H 4.380 . 4.380 3.260 2.203 4.231 . 0 0 "[ . 1 . 2]" 1
398 1 44 HIS HE1 1 65 CYS HB3 3.650 . 3.650 2.811 2.136 3.596 . 0 0 "[ . 1 . 2]" 1
399 1 29 ILE MD 1 64 PHE HZ 4.200 . 4.200 3.536 3.142 3.795 . 0 0 "[ . 1 . 2]" 1
400 1 54 TRP HZ2 1 63 PRO HA 3.950 . 3.950 3.480 3.231 3.946 . 0 0 "[ . 1 . 2]" 1
401 1 63 PRO HD2 1 64 PHE QE 5.320 . 5.320 4.602 4.376 5.007 . 0 0 "[ . 1 . 2]" 1
402 1 14 TYR HA 1 14 TYR QD 3.670 . 3.670 2.656 1.956 3.720 0.050 6 0 "[ . 1 . 2]" 1
403 1 44 HIS HD2 1 45 LEU H 4.160 . 4.160 4.176 4.126 4.223 0.063 5 0 "[ . 1 . 2]" 1
404 1 29 ILE MD 1 64 PHE QE 4.030 . 4.030 2.209 2.011 2.500 . 0 0 "[ . 1 . 2]" 1
405 1 40 GLU H 1 72 THR MG 4.170 . 4.170 3.509 3.125 3.977 . 0 0 "[ . 1 . 2]" 1
406 1 39 ILE H 1 39 ILE MG 4.110 . 4.110 3.735 3.693 3.764 . 0 0 "[ . 1 . 2]" 1
407 1 39 ILE MG 1 40 GLU H 3.410 . 3.410 2.854 2.753 2.955 . 0 0 "[ . 1 . 2]" 1
408 1 39 ILE MG 1 62 CYS H 4.530 . 4.530 3.832 3.494 4.257 . 0 0 "[ . 1 . 2]" 1
409 1 69 ILE H 1 69 ILE MG 4.090 . 4.090 3.857 3.822 3.899 . 0 0 "[ . 1 . 2]" 1
410 1 9 VAL H 1 9 VAL MG1 4.500 . 4.500 2.502 1.991 3.858 . 0 0 "[ . 1 . 2]" 1
411 1 9 VAL H 1 9 VAL MG2 4.500 . 4.500 2.998 1.846 4.023 . 0 0 "[ . 1 . 2]" 1
412 1 54 TRP H 1 63 PRO HG3 5.500 . 5.500 5.152 4.940 5.451 . 0 0 "[ . 1 . 2]" 1
413 1 62 CYS H 1 69 ILE MD 3.860 . 3.860 3.311 3.047 3.515 . 0 0 "[ . 1 . 2]" 1
414 1 37 VAL MG1 1 38 LYS H 4.120 . 4.120 3.802 3.718 3.890 . 0 0 "[ . 1 . 2]" 1
415 1 37 VAL H 1 37 VAL MG1 3.220 . 3.220 2.361 2.171 2.529 . 0 0 "[ . 1 . 2]" 1
416 1 36 ASP H 1 37 VAL MG1 4.070 . 4.070 3.544 3.323 3.685 . 0 0 "[ . 1 . 2]" 1
417 1 37 VAL H 1 75 ILE MD 4.040 . 4.040 2.815 2.476 3.116 . 0 0 "[ . 1 . 2]" 1
418 1 52 THR H 1 52 THR MG 3.910 . 3.910 3.752 3.702 3.791 . 0 0 "[ . 1 . 2]" 1
419 1 32 GLU H 1 32 GLU HG3 4.890 . 4.890 3.654 2.461 4.755 . 0 0 "[ . 1 . 2]" 1
420 1 28 LYS HB2 1 64 PHE HZ 4.040 . 4.040 3.179 1.889 4.044 0.004 18 0 "[ . 1 . 2]" 1
421 1 28 LYS HB2 1 64 PHE QE 4.160 . 4.160 3.647 2.013 4.239 0.079 7 0 "[ . 1 . 2]" 1
422 1 28 LYS HB3 1 64 PHE HZ 4.040 . 4.040 2.519 1.899 4.017 . 0 0 "[ . 1 . 2]" 1
423 1 28 LYS HB3 1 64 PHE QE 4.160 . 4.160 2.872 2.442 3.352 . 0 0 "[ . 1 . 2]" 1
424 1 70 LYS HB2 1 71 GLY H 4.220 . 4.220 3.286 2.341 3.992 . 0 0 "[ . 1 . 2]" 1
425 1 46 MET ME 1 64 PHE QE 3.650 . 3.650 2.047 1.885 2.188 . 0 0 "[ . 1 . 2]" 1
426 1 7 ILE HB 1 8 LYS H 4.260 . 4.260 3.491 2.024 4.333 0.073 9 0 "[ . 1 . 2]" 1
427 1 45 LEU HB2 1 46 MET H 4.240 . 4.240 4.038 3.853 4.223 . 0 0 "[ . 1 . 2]" 1
428 1 39 ILE H 1 39 ILE HG12 4.210 . 4.210 4.032 3.978 4.078 . 0 0 "[ . 1 . 2]" 1
429 1 75 ILE HB 1 76 VAL H 3.910 . 3.910 3.483 1.688 3.956 0.046 17 0 "[ . 1 . 2]" 1
430 1 29 ILE HG12 1 64 PHE QE 4.340 . 4.340 2.969 2.610 3.326 . 0 0 "[ . 1 . 2]" 1
431 1 31 ALA H 1 31 ALA MB 3.480 . 3.480 2.906 2.850 2.953 . 0 0 "[ . 1 . 2]" 1
432 1 54 TRP HD1 1 63 PRO HG3 3.940 . 3.940 3.944 3.835 3.983 0.043 1 0 "[ . 1 . 2]" 1
433 1 55 GLN HE22 1 69 ILE MG 4.040 . 4.040 3.180 2.443 3.800 . 0 0 "[ . 1 . 2]" 1
434 1 63 PRO HG3 1 64 PHE QD 4.390 . 4.390 4.436 4.412 4.461 0.071 11 0 "[ . 1 . 2]" 1
435 1 24 PHE QE 1 77 VAL MG1 4.330 . 4.330 3.438 2.195 4.358 0.028 9 0 "[ . 1 . 2]" 1
436 1 54 TRP HD1 1 69 ILE MD 4.320 . 4.320 3.242 2.920 3.722 . 0 0 "[ . 1 . 2]" 1
437 1 29 ILE MG 1 64 PHE QD 5.060 . 5.060 5.107 5.042 5.163 0.103 19 0 "[ . 1 . 2]" 1
438 1 29 ILE HG13 1 64 PHE QE 4.340 . 4.340 2.726 2.413 3.113 . 0 0 "[ . 1 . 2]" 1
439 1 45 LEU HA 1 45 LEU MD2 4.200 . 4.200 2.876 2.200 3.882 . 0 0 "[ . 1 . 2]" 1
440 1 45 LEU HA 1 45 LEU MD1 4.200 . 4.200 3.135 2.283 3.943 . 0 0 "[ . 1 . 2]" 1
441 1 37 VAL MG1 1 47 CYS HA 4.000 . 4.000 2.734 2.580 2.846 . 0 0 "[ . 1 . 2]" 1
442 1 37 VAL MG1 1 45 LEU HA 4.840 . 4.840 4.378 4.027 4.638 . 0 0 "[ . 1 . 2]" 1
443 1 45 LEU HA 1 75 ILE MD 4.420 . 4.420 2.460 2.232 2.891 . 0 0 "[ . 1 . 2]" 1
444 1 45 LEU HA 1 46 MET ME 4.660 . 4.660 4.237 3.910 4.414 . 0 0 "[ . 1 . 2]" 1
445 1 63 PRO HD2 1 64 PHE QD 4.080 . 4.080 3.397 3.189 3.617 . 0 0 "[ . 1 . 2]" 1
446 1 46 MET HB2 1 64 PHE QD 5.500 . 5.500 5.368 4.919 5.511 0.011 10 0 "[ . 1 . 2]" 1
447 1 46 MET HB3 1 64 PHE QD 5.500 . 5.500 4.398 3.918 4.624 . 0 0 "[ . 1 . 2]" 1
448 1 46 MET ME 1 64 PHE QD 3.590 . 3.590 2.220 2.012 2.311 . 0 0 "[ . 1 . 2]" 1
449 1 35 LYS HA 1 47 CYS H 4.440 . 4.440 3.630 3.359 3.873 . 0 0 "[ . 1 . 2]" 1
450 1 36 ASP H 1 47 CYS HB3 5.120 . 5.120 3.251 2.914 3.551 . 0 0 "[ . 1 . 2]" 1
451 1 74 PRO HB2 1 75 ILE H 4.380 . 4.380 3.310 2.892 3.997 . 0 0 "[ . 1 . 2]" 1
452 1 54 TRP HD1 1 55 GLN HG2 4.280 . 4.280 3.722 2.786 4.217 . 0 0 "[ . 1 . 2]" 1
453 1 54 TRP HD1 1 55 GLN HG3 4.280 . 4.280 3.430 2.648 4.352 0.072 17 0 "[ . 1 . 2]" 1
454 1 27 CYS H 1 27 CYS HB3 3.610 . 3.610 2.200 2.118 2.314 . 0 0 "[ . 1 . 2]" 1
455 1 27 CYS HB3 1 30 CYS H 4.450 . 4.450 3.440 2.991 3.629 . 0 0 "[ . 1 . 2]" 1
456 1 62 CYS H 1 63 PRO HD3 5.000 . 5.000 5.038 5.020 5.063 0.063 12 0 "[ . 1 . 2]" 1
457 1 44 HIS HE1 1 65 CYS HB2 3.650 . 3.650 3.080 2.215 3.616 . 0 0 "[ . 1 . 2]" 1
458 1 54 TRP HB2 1 54 TRP HE3 3.790 . 3.790 2.951 2.881 3.079 . 0 0 "[ . 1 . 2]" 1
459 1 63 PRO HD2 1 66 ARG H 5.500 . 5.500 5.320 5.134 5.511 0.011 14 0 "[ . 1 . 2]" 1
460 1 67 CYS H 1 67 CYS HB2 3.800 . 3.800 3.488 2.679 3.821 0.021 17 0 "[ . 1 . 2]" 1
461 1 54 TRP HD1 1 63 PRO HD3 4.140 . 4.140 2.425 2.277 2.495 . 0 0 "[ . 1 . 2]" 1
462 1 33 ASN HB2 1 33 ASN HD22 4.090 . 4.090 3.452 3.414 3.474 . 0 0 "[ . 1 . 2]" 1
463 1 48 THR H 1 48 THR HB 3.230 . 3.230 2.621 2.517 2.722 . 0 0 "[ . 1 . 2]" 1
464 1 26 LEU H 1 34 ASP HA 4.900 . 4.900 4.186 2.429 4.603 . 0 0 "[ . 1 . 2]" 1
465 1 54 TRP HE1 1 66 ARG HA 4.790 . 4.790 4.125 3.869 4.368 . 0 0 "[ . 1 . 2]" 1
466 1 44 HIS HA 1 44 HIS HD2 3.070 . 3.070 2.211 2.154 2.266 . 0 0 "[ . 1 . 2]" 1
467 1 64 PHE HA 1 64 PHE QD 3.510 . 3.510 3.157 3.029 3.258 . 0 0 "[ . 1 . 2]" 1
468 1 24 PHE HA 1 24 PHE QD 4.160 . 4.160 2.713 2.419 3.749 . 0 0 "[ . 1 . 2]" 1
469 1 17 TYR QD 1 18 CYS HA 4.350 . 4.350 4.053 3.608 4.436 0.086 2 0 "[ . 1 . 2]" 1
470 1 16 LEU HA 1 17 TYR QD 4.620 . 4.620 4.564 4.103 4.718 0.098 10 0 "[ . 1 . 2]" 1
471 1 33 ASN HD22 1 49 SER HB2 4.080 . 4.080 3.291 2.629 3.988 . 0 0 "[ . 1 . 2]" 1
472 1 13 GLN HA 1 14 TYR QD 5.260 . 5.260 5.163 4.078 5.327 0.067 19 0 "[ . 1 . 2]" 1
473 1 33 ASN HD22 1 49 SER HB3 4.080 . 4.080 3.366 2.921 4.107 0.027 2 0 "[ . 1 . 2]" 1
474 1 69 ILE HA 1 70 LYS H 3.110 . 3.110 2.177 2.101 2.237 . 0 0 "[ . 1 . 2]" 1
475 1 24 PHE QD 1 25 GLN HA 4.620 . 4.620 4.100 3.497 4.644 0.024 12 0 "[ . 1 . 2]" 1
476 1 54 TRP HE1 1 55 GLN HA 5.500 . 5.500 5.271 4.985 5.516 0.016 1 0 "[ . 1 . 2]" 1
477 1 54 TRP HD1 1 55 GLN HA 4.610 . 4.610 4.190 3.899 4.515 . 0 0 "[ . 1 . 2]" 1
478 1 37 VAL H 1 47 CYS HA 3.960 . 3.960 2.855 2.638 3.106 . 0 0 "[ . 1 . 2]" 1
479 1 36 ASP H 1 47 CYS HA 3.330 . 3.330 1.975 1.770 2.175 . 0 0 "[ . 1 . 2]" 1
480 1 31 ALA H 1 33 ASN H 4.430 . 4.430 4.030 3.590 4.202 . 0 0 "[ . 1 . 2]" 1
481 1 33 ASN H 1 33 ASN HD21 4.280 . 4.280 3.915 2.851 4.332 0.052 2 0 "[ . 1 . 2]" 1
482 1 40 GLU H 1 71 GLY H 3.870 . 3.870 3.106 2.926 3.237 . 0 0 "[ . 1 . 2]" 1
483 1 44 HIS H 1 44 HIS HD2 4.360 . 4.360 3.518 3.384 3.661 . 0 0 "[ . 1 . 2]" 1
484 1 54 TRP HD1 1 55 GLN H 4.150 . 4.150 3.823 3.464 4.142 . 0 0 "[ . 1 . 2]" 1
485 1 64 PHE H 1 64 PHE QD 4.070 . 4.070 2.262 2.045 2.578 . 0 0 "[ . 1 . 2]" 1
486 1 58 GLU H 1 59 GLY H 3.460 . 3.460 3.209 2.794 3.482 0.022 8 0 "[ . 1 . 2]" 1
487 1 49 SER H 1 50 CYS H 3.270 . 3.270 2.882 2.792 2.980 . 0 0 "[ . 1 . 2]" 1
488 1 36 ASP H 1 48 THR H 4.300 . 4.300 3.550 3.147 3.796 . 0 0 "[ . 1 . 2]" 1
489 1 50 CYS H 1 51 LEU H 3.430 . 3.430 2.493 2.360 2.596 . 0 0 "[ . 1 . 2]" 1
490 1 54 TRP H 1 55 GLN H 3.410 . 3.410 2.685 2.579 2.863 . 0 0 "[ . 1 . 2]" 1
491 1 14 TYR H 1 14 TYR QD 4.290 . 4.290 2.788 1.822 3.426 . 0 0 "[ . 1 . 2]" 1
492 1 17 TYR H 1 17 TYR QD 4.050 . 4.050 2.085 1.831 2.889 . 0 0 "[ . 1 . 2]" 1
493 1 54 TRP HZ2 1 60 GLN H 3.860 . 3.860 3.634 2.396 3.911 0.051 6 0 "[ . 1 . 2]" 1
494 1 57 SER H 1 58 GLU H 3.300 . 3.300 2.324 2.121 2.511 . 0 0 "[ . 1 . 2]" 1
495 1 30 CYS H 1 31 ALA H 3.300 . 3.300 2.059 1.948 2.118 . 0 0 "[ . 1 . 2]" 1
496 1 42 CYS H 1 43 GLY H 3.600 . 3.600 2.933 2.633 3.233 . 0 0 "[ . 1 . 2]" 1
497 1 15 GLU H 1 16 LEU H 3.930 . 3.930 2.564 2.332 2.917 . 0 0 "[ . 1 . 2]" 1
498 1 52 THR H 1 53 SER H 3.340 . 3.340 2.611 2.387 2.787 . 0 0 "[ . 1 . 2]" 1
499 1 51 LEU H 1 52 THR H 3.310 . 3.310 2.806 2.726 2.899 . 0 0 "[ . 1 . 2]" 1
500 1 65 CYS H 1 66 ARG H 3.380 . 3.380 2.264 2.172 2.318 . 0 0 "[ . 1 . 2]" 1
501 1 39 ILE H 1 44 HIS H 4.350 . 4.350 3.302 2.940 3.884 . 0 0 "[ . 1 . 2]" 1
502 1 70 LYS H 1 71 GLY H 3.310 . 3.310 2.074 1.844 2.366 . 0 0 "[ . 1 . 2]" 1
503 1 29 ILE H 1 30 CYS H 3.450 . 3.450 2.538 2.340 2.742 . 0 0 "[ . 1 . 2]" 1
504 1 47 CYS H 1 51 LEU H 4.750 . 4.750 4.552 4.204 4.766 0.016 16 0 "[ . 1 . 2]" 1
505 1 47 CYS HA 1 48 THR H 3.040 . 3.040 2.197 2.141 2.256 . 0 0 "[ . 1 . 2]" 1
506 1 27 CYS HA 1 28 LYS H 3.150 . 3.150 2.197 2.131 2.279 . 0 0 "[ . 1 . 2]" 1
507 1 27 CYS HA 1 35 LYS H 4.650 . 4.650 4.389 3.957 4.646 . 0 0 "[ . 1 . 2]" 1
508 1 40 GLU H 1 72 THR HB 5.500 . 5.500 5.222 4.888 5.501 0.001 19 0 "[ . 1 . 2]" 1
509 1 53 SER HB3 1 55 GLN H 5.500 . 5.500 5.281 5.011 5.571 0.071 19 0 "[ . 1 . 2]" 1
510 1 33 ASN HD21 1 49 SER HB2 3.870 . 3.870 2.496 2.006 3.472 . 0 0 "[ . 1 . 2]" 1
511 1 33 ASN HD21 1 49 SER HA 5.500 . 5.500 5.103 4.630 5.550 0.050 1 0 "[ . 1 . 2]" 1
512 1 42 CYS HA 1 44 HIS H 5.500 . 5.500 4.638 4.327 5.069 . 0 0 "[ . 1 . 2]" 1
513 1 15 GLU H 1 16 LEU HA 5.190 . 5.190 5.142 4.926 5.285 0.095 4 0 "[ . 1 . 2]" 1
514 1 13 GLN HA 1 15 GLU H 4.260 . 4.260 3.578 2.863 4.128 . 0 0 "[ . 1 . 2]" 1
515 1 7 ILE HA 1 8 LYS H 3.290 . 3.290 2.489 2.036 3.432 0.142 7 0 "[ . 1 . 2]" 1
516 1 53 SER H 1 53 SER HB3 3.250 . 3.250 2.846 2.501 3.363 0.113 18 0 "[ . 1 . 2]" 1
517 1 53 SER HB3 1 54 TRP H 3.610 . 3.610 2.858 2.381 3.438 . 0 0 "[ . 1 . 2]" 1
518 1 9 VAL HA 1 10 THR H 3.290 . 3.290 2.254 2.024 3.395 0.105 19 0 "[ . 1 . 2]" 1
519 1 72 THR H 1 72 THR HB 4.200 . 4.200 3.739 3.624 3.812 . 0 0 "[ . 1 . 2]" 1
520 1 15 GLU HA 1 17 TYR H 4.020 . 4.020 3.497 3.289 3.821 . 0 0 "[ . 1 . 2]" 1
521 1 49 SER HA 1 51 LEU H 4.710 . 4.710 4.616 4.455 4.733 0.023 14 0 "[ . 1 . 2]" 1
522 1 48 THR HA 1 51 LEU H 3.770 . 3.770 3.257 3.012 3.536 . 0 0 "[ . 1 . 2]" 1
523 1 31 ALA HA 1 33 ASN H 4.640 . 4.640 4.552 4.081 4.674 0.034 10 0 "[ . 1 . 2]" 1
524 1 56 GLU HA 1 58 GLU H 4.250 . 4.250 3.412 3.073 4.208 . 0 0 "[ . 1 . 2]" 1
525 1 47 CYS HB2 1 48 THR H 3.730 . 3.730 2.820 2.725 2.961 . 0 0 "[ . 1 . 2]" 1
526 1 50 CYS H 1 50 CYS HB3 3.730 . 3.730 3.584 3.548 3.621 . 0 0 "[ . 1 . 2]" 1
527 1 66 ARG H 1 66 ARG HG3 4.730 . 4.730 3.057 2.649 3.990 . 0 0 "[ . 1 . 2]" 1
528 1 39 ILE H 1 46 MET ME 4.670 . 4.670 4.287 4.027 4.563 . 0 0 "[ . 1 . 2]" 1
529 1 46 MET H 1 46 MET ME 4.940 . 4.940 4.056 3.934 4.207 . 0 0 "[ . 1 . 2]" 1
530 1 56 GLU H 1 56 GLU HG2 4.450 . 4.450 3.167 2.361 3.763 . 0 0 "[ . 1 . 2]" 1
531 1 11 GLN H 1 11 GLN HG2 5.140 . 5.140 3.333 1.919 4.717 . 0 0 "[ . 1 . 2]" 1
532 1 11 GLN H 1 11 GLN HG3 5.140 . 5.140 3.658 2.130 4.572 . 0 0 "[ . 1 . 2]" 1
533 1 67 CYS HB3 1 68 GLU H 3.620 . 3.620 3.528 3.308 3.678 0.058 13 0 "[ . 1 . 2]" 1
534 1 33 ASN HD21 1 47 CYS HB3 4.490 . 4.490 4.115 3.679 4.503 0.013 5 0 "[ . 1 . 2]" 1
535 1 14 TYR HB3 1 15 GLU H 4.490 . 4.490 4.283 3.890 4.479 . 0 0 "[ . 1 . 2]" 1
536 1 20 MET ME 1 21 GLY H 4.660 . 4.660 4.241 2.605 4.705 0.045 11 0 "[ . 1 . 2]" 1
537 1 80 PHE H 1 80 PHE HB3 3.860 . 3.860 3.195 2.462 3.676 . 0 0 "[ . 1 . 2]" 1
538 1 14 TYR H 1 14 TYR HB2 3.850 . 3.850 2.602 2.349 3.611 . 0 0 "[ . 1 . 2]" 1
539 1 14 TYR H 1 14 TYR HB3 3.850 . 3.850 3.540 2.362 3.715 . 0 0 "[ . 1 . 2]" 1
540 1 9 VAL H 1 9 VAL HB 3.820 . 3.820 3.270 2.561 3.754 . 0 0 "[ . 1 . 2]" 1
541 1 17 TYR H 1 17 TYR HB3 3.400 . 3.400 2.547 2.377 2.790 . 0 0 "[ . 1 . 2]" 1
542 1 13 GLN H 1 13 GLN HG3 5.060 . 5.060 3.496 2.070 4.626 . 0 0 "[ . 1 . 2]" 1
543 1 17 TYR HB2 1 18 CYS H 4.660 . 4.660 4.106 3.745 4.452 . 0 0 "[ . 1 . 2]" 1
544 1 17 TYR HB3 1 18 CYS H 4.940 . 4.940 4.141 3.943 4.546 . 0 0 "[ . 1 . 2]" 1
545 1 60 GLN H 1 60 GLN HG2 5.100 . 5.100 3.746 1.851 4.799 . 0 0 "[ . 1 . 2]" 1
546 1 60 GLN H 1 60 GLN HG3 5.100 . 5.100 3.763 2.268 4.602 . 0 0 "[ . 1 . 2]" 1
547 1 51 LEU H 1 51 LEU HG 4.500 . 4.500 4.446 4.098 4.500 . 20 0 "[ . 1 . 2]" 1
548 1 58 GLU H 1 58 GLU HG3 4.800 . 4.800 3.865 2.858 4.810 0.010 12 0 "[ . 1 . 2]" 1
549 1 16 LEU H 1 16 LEU HB3 4.010 . 4.010 2.998 2.550 3.612 . 0 0 "[ . 1 . 2]" 1
550 1 16 LEU H 1 16 LEU HG 4.230 . 4.230 2.560 1.767 3.904 . 0 0 "[ . 1 . 2]" 1
551 1 16 LEU H 1 17 TYR HB3 4.690 . 4.690 4.645 4.321 4.743 0.053 19 0 "[ . 1 . 2]" 1
552 1 46 MET HB2 1 64 PHE QE 4.250 . 4.250 3.490 3.129 3.659 . 0 0 "[ . 1 . 2]" 1
553 1 46 MET HB3 1 64 PHE QE 4.250 . 4.250 2.623 2.251 2.954 . 0 0 "[ . 1 . 2]" 1
554 1 26 LEU H 1 26 LEU HB3 3.940 . 3.940 3.671 3.488 4.037 0.097 1 0 "[ . 1 . 2]" 1
555 1 26 LEU H 1 26 LEU HG 4.240 . 4.240 2.812 2.155 4.277 0.037 14 0 "[ . 1 . 2]" 1
556 1 54 TRP HD1 1 63 PRO HD2 4.210 . 4.210 4.157 3.982 4.232 0.022 20 0 "[ . 1 . 2]" 1
557 1 38 LYS HA 1 45 LEU HA 3.630 . 3.630 2.605 2.447 2.786 . 0 0 "[ . 1 . 2]" 1
558 1 39 ILE HA 1 72 THR HA 3.740 . 3.740 2.671 2.446 2.800 . 0 0 "[ . 1 . 2]" 1
559 1 33 ASN HA 1 34 ASP HA 4.490 . 4.490 4.319 4.228 4.403 . 0 0 "[ . 1 . 2]" 1
560 1 35 LYS HA 1 47 CYS HA 3.710 . 3.710 2.996 2.421 3.356 . 0 0 "[ . 1 . 2]" 1
561 1 73 GLU HA 1 74 PRO HD3 3.060 . 3.060 2.347 1.977 2.468 . 0 0 "[ . 1 . 2]" 1
562 1 73 GLU HA 1 74 PRO HD2 3.130 . 3.130 2.283 2.052 2.635 . 0 0 "[ . 1 . 2]" 1
563 1 37 VAL HA 1 74 PRO HD3 5.500 . 5.500 5.468 5.148 5.558 0.058 3 0 "[ . 1 . 2]" 1
564 1 78 ASP HA 1 79 PRO HD3 3.440 . 3.440 2.137 1.863 2.732 . 0 0 "[ . 1 . 2]" 1
565 1 27 CYS HA 1 46 MET HA 4.530 . 4.530 2.864 2.436 3.195 . 0 0 "[ . 1 . 2]" 1
566 1 39 ILE HA 1 40 GLU HA 4.610 . 4.610 4.371 4.333 4.397 . 0 0 "[ . 1 . 2]" 1
567 1 26 LEU HA 1 34 ASP HA 3.420 . 3.420 1.961 1.807 2.326 . 0 0 "[ . 1 . 2]" 1
568 1 27 CYS HA 1 34 ASP HA 5.050 . 5.050 4.804 4.004 5.115 0.065 6 0 "[ . 1 . 2]" 1
569 1 30 CYS HA 1 31 ALA HA 5.490 . 5.490 5.301 5.241 5.346 . 0 0 "[ . 1 . 2]" 1
570 1 46 MET HA 1 46 MET HG3 3.810 . 3.810 3.820 3.795 3.838 0.028 15 0 "[ . 1 . 2]" 1
571 1 37 VAL HB 1 74 PRO HA 4.770 . 4.770 4.293 3.985 4.786 0.016 12 0 "[ . 1 . 2]" 1
572 1 36 ASP HA 1 75 ILE HB 4.280 . 4.280 2.646 2.069 3.231 . 0 0 "[ . 1 . 2]" 1
573 1 37 VAL HA 1 37 VAL MG2 3.240 . 3.240 2.315 2.289 2.342 . 0 0 "[ . 1 . 2]" 1
574 1 37 VAL MG2 1 74 PRO HA 4.450 . 4.450 3.591 3.309 3.965 . 0 0 "[ . 1 . 2]" 1
575 1 36 ASP HA 1 75 ILE MG 4.700 . 4.700 4.158 3.692 4.719 0.019 1 0 "[ . 1 . 2]" 1
576 1 36 ASP HA 1 75 ILE MD 4.220 . 4.220 3.418 2.884 3.905 . 0 0 "[ . 1 . 2]" 1
577 1 53 SER HA 1 53 SER HB2 3.000 . 3.000 2.667 2.460 2.977 . 0 0 "[ . 1 . 2]" 1
578 1 3 LEU HA 1 3 LEU HG 4.010 . 4.010 3.173 2.514 3.775 . 0 0 "[ . 1 . 2]" 1
579 1 48 THR HB 1 51 LEU HB3 5.190 . 5.190 5.023 4.765 5.222 0.032 2 0 "[ . 1 . 2]" 1
580 1 41 PRO HG2 1 42 CYS HA 4.060 . 4.060 4.018 3.903 4.081 0.021 13 0 "[ . 1 . 2]" 1
581 1 42 CYS HA 1 68 GLU HB2 4.210 . 4.210 3.971 3.590 4.356 0.146 7 0 "[ . 1 . 2]" 1
582 1 51 LEU HA 1 51 LEU HG 4.130 . 4.130 3.152 2.685 3.810 . 0 0 "[ . 1 . 2]" 1
583 1 25 GLN HA 1 25 GLN HG3 4.190 . 4.190 2.838 2.407 3.794 . 0 0 "[ . 1 . 2]" 1
584 1 68 GLU HA 1 68 GLU HG3 3.900 . 3.900 2.805 2.412 3.558 . 0 0 "[ . 1 . 2]" 1
585 1 26 LEU HB3 1 27 CYS HA 5.040 . 5.040 4.693 4.415 5.062 0.022 19 0 "[ . 1 . 2]" 1
586 1 69 ILE HA 1 69 ILE HG12 3.870 . 3.870 2.590 2.507 2.658 . 0 0 "[ . 1 . 2]" 1
587 1 50 CYS HB3 1 51 LEU HA 4.620 . 4.620 4.408 4.296 4.507 . 0 0 "[ . 1 . 2]" 1
588 1 56 GLU HA 1 56 GLU HG2 3.950 . 3.950 2.680 2.317 3.801 . 0 0 "[ . 1 . 2]" 1
589 1 62 CYS HB3 1 63 PRO HD2 3.620 . 3.620 2.412 2.235 2.600 . 0 0 "[ . 1 . 2]" 1
590 1 58 GLU HA 1 58 GLU HG2 3.780 . 3.780 2.760 2.347 3.196 . 0 0 "[ . 1 . 2]" 1
591 1 58 GLU HA 1 58 GLU HG3 3.780 . 3.780 3.072 2.415 3.745 . 0 0 "[ . 1 . 2]" 1
592 1 73 GLU HB2 1 74 PRO HD2 4.390 . 4.390 3.888 2.142 4.408 0.018 13 0 "[ . 1 . 2]" 1
593 1 73 GLU HB3 1 74 PRO HD2 4.390 . 4.390 3.337 2.173 4.295 . 0 0 "[ . 1 . 2]" 1
594 1 39 ILE HG12 1 63 PRO HD2 4.740 . 4.740 4.161 3.923 4.304 . 0 0 "[ . 1 . 2]" 1
595 1 25 GLN HA 1 77 VAL MG2 4.230 . 4.230 3.291 2.311 4.178 . 0 0 "[ . 1 . 2]" 1
596 1 37 VAL MG2 1 48 THR HA 4.070 . 4.070 3.655 3.455 3.872 . 0 0 "[ . 1 . 2]" 1
597 1 26 LEU MD2 1 32 GLU HA 4.110 . 4.110 3.574 2.812 4.141 0.031 7 0 "[ . 1 . 2]" 1
598 1 26 LEU MD1 1 32 GLU HA 4.110 . 4.110 3.984 3.624 4.149 0.039 15 0 "[ . 1 . 2]" 1
599 1 69 ILE MG 1 70 LYS HA 4.430 . 4.430 3.650 3.271 3.993 . 0 0 "[ . 1 . 2]" 1
600 1 60 GLN HA 1 69 ILE MD 5.120 . 5.120 4.156 3.398 4.881 . 0 0 "[ . 1 . 2]" 1
601 1 66 ARG HA 1 69 ILE MD 5.450 . 5.450 4.889 4.750 5.065 . 0 0 "[ . 1 . 2]" 1
602 1 44 HIS HA 1 45 LEU MD1 5.170 . 5.170 3.947 2.675 4.412 . 0 0 "[ . 1 . 2]" 1
603 1 75 ILE HA 1 75 ILE MD 3.930 . 3.930 3.881 3.811 3.935 0.005 10 0 "[ . 1 . 2]" 1
604 1 39 ILE HA 1 39 ILE MD 3.430 . 3.430 3.037 2.887 3.120 . 0 0 "[ . 1 . 2]" 1
605 1 62 CYS HA 1 69 ILE MD 3.650 . 3.650 2.510 2.213 2.788 . 0 0 "[ . 1 . 2]" 1
606 1 29 ILE MD 1 50 CYS HB2 4.120 . 4.120 2.238 2.070 2.523 . 0 0 "[ . 1 . 2]" 1
607 1 29 ILE HB 1 29 ILE MD 3.650 . 3.650 2.416 2.384 2.451 . 0 0 "[ . 1 . 2]" 1
608 1 55 GLN HA 1 55 GLN HG3 3.850 . 3.850 3.104 2.957 3.681 . 0 0 "[ . 1 . 2]" 1
609 1 55 GLN HA 1 55 GLN HG2 3.850 . 3.850 2.511 2.463 2.594 . 0 0 "[ . 1 . 2]" 1
610 1 29 ILE MD 1 29 ILE MG 2.950 . 2.950 1.928 1.874 1.987 . 0 0 "[ . 1 . 2]" 1
611 1 72 THR HA 1 72 THR MG 3.110 . 3.110 2.288 2.226 2.360 . 0 0 "[ . 1 . 2]" 1
612 1 37 VAL MG2 1 72 THR HA 3.840 . 3.840 3.362 3.043 3.745 . 0 0 "[ . 1 . 2]" 1
613 1 29 ILE MD 1 63 PRO HG3 3.930 . 3.930 2.577 2.409 2.802 . 0 0 "[ . 1 . 2]" 1
614 1 29 ILE MG 1 63 PRO HB3 4.450 . 4.450 4.379 4.149 4.491 0.041 19 0 "[ . 1 . 2]" 1
615 1 37 VAL MG1 1 39 ILE MD 3.270 . 3.270 2.367 2.164 2.475 . 0 0 "[ . 1 . 2]" 1
616 1 45 LEU MD1 1 75 ILE MD 3.980 . 3.980 2.581 1.864 3.552 . 0 0 "[ . 1 . 2]" 1
617 1 23 THR MG 1 26 LEU MD2 4.730 . 4.730 3.776 2.497 4.742 0.012 18 0 "[ . 1 . 2]" 1
618 1 37 VAL MG1 1 51 LEU HB3 4.390 . 4.390 2.813 2.451 3.233 . 0 0 "[ . 1 . 2]" 1
619 1 26 LEU HB3 1 26 LEU MD2 3.460 . 3.460 2.386 2.348 2.442 . 0 0 "[ . 1 . 2]" 1
620 1 26 LEU MD2 1 31 ALA MB 4.830 . 4.830 4.383 2.741 4.850 0.020 20 0 "[ . 1 . 2]" 1
621 1 39 ILE MG 1 69 ILE MG 3.010 . 3.010 2.258 2.034 2.651 . 0 0 "[ . 1 . 2]" 1
622 1 39 ILE HG13 1 72 THR MG 3.610 . 3.610 2.493 2.174 3.099 . 0 0 "[ . 1 . 2]" 1
623 1 39 ILE MD 1 51 LEU HB2 3.630 . 3.630 3.281 2.989 3.657 0.027 17 0 "[ . 1 . 2]" 1
624 1 39 ILE MG 1 69 ILE HG12 3.900 . 3.900 1.913 1.832 2.055 . 0 0 "[ . 1 . 2]" 1
625 1 69 ILE HB 1 69 ILE MD 3.000 . 3.000 2.462 2.416 2.486 . 0 0 "[ . 1 . 2]" 1
626 1 37 VAL MG2 1 39 ILE HB 5.500 . 5.500 5.356 5.116 5.504 0.004 19 0 "[ . 1 . 2]" 1
627 1 39 ILE HB 1 69 ILE MD 5.500 . 5.500 5.111 4.930 5.427 . 0 0 "[ . 1 . 2]" 1
628 1 37 VAL MG2 1 46 MET HG2 4.720 . 4.720 4.630 4.395 4.739 0.019 18 0 "[ . 1 . 2]" 1
629 1 37 VAL MG2 1 51 LEU HB3 4.970 . 4.970 4.156 3.857 4.351 . 0 0 "[ . 1 . 2]" 1
630 1 55 GLN HB3 1 69 ILE MD 5.500 . 5.500 5.035 4.423 5.502 0.002 17 0 "[ . 1 . 2]" 1
631 1 50 CYS HB3 1 63 PRO HG3 4.770 . 4.770 3.882 3.524 4.388 . 0 0 "[ . 1 . 2]" 1
632 1 48 THR H 1 49 SER H 3.620 . 3.620 2.718 2.562 2.869 . 0 0 "[ . 1 . 2]" 1
633 1 49 SER H 1 51 LEU H 4.300 . 4.300 4.085 3.988 4.191 . 0 0 "[ . 1 . 2]" 1
634 1 29 ILE H 1 64 PHE HZ 4.650 . 4.650 3.054 2.817 3.329 . 0 0 "[ . 1 . 2]" 1
635 1 44 HIS HE1 1 65 CYS HA 4.940 . 4.940 4.944 4.391 5.070 0.130 13 0 "[ . 1 . 2]" 1
636 1 37 VAL HA 1 75 ILE H 3.890 . 3.890 3.242 2.727 3.943 0.053 3 0 "[ . 1 . 2]" 1
637 1 74 PRO HA 1 75 ILE H 2.980 . 2.980 2.235 2.137 3.065 0.085 3 0 "[ . 1 . 2]" 1
638 1 54 TRP HA 1 54 TRP HE3 3.320 . 3.320 2.441 2.239 2.608 . 0 0 "[ . 1 . 2]" 1
639 1 52 THR H 1 52 THR HB 3.190 . 3.190 2.657 2.567 2.746 . 0 0 "[ . 1 . 2]" 1
640 1 26 LEU HA 1 27 CYS H 3.310 . 3.310 2.120 1.971 2.324 . 0 0 "[ . 1 . 2]" 1
641 1 49 SER HA 1 52 THR H 4.320 . 4.320 3.994 3.702 4.236 . 0 0 "[ . 1 . 2]" 1
642 1 33 ASN HD21 1 49 SER HB3 3.870 . 3.870 3.180 2.371 3.846 . 0 0 "[ . 1 . 2]" 1
643 1 48 THR HB 1 49 SER H 3.400 . 3.400 2.891 2.706 3.031 . 0 0 "[ . 1 . 2]" 1
644 1 60 GLN HA 1 61 GLY H 3.090 . 3.090 2.371 2.039 3.177 0.087 18 0 "[ . 1 . 2]" 1
645 1 20 MET HA 1 21 GLY H 3.410 . 3.410 2.736 2.111 3.488 0.078 12 0 "[ . 1 . 2]" 1
646 1 52 THR HB 1 53 SER H 3.240 . 3.240 2.517 2.328 2.742 . 0 0 "[ . 1 . 2]" 1
647 1 57 SER HB2 1 58 GLU H 5.160 . 5.160 4.223 3.641 4.469 . 0 0 "[ . 1 . 2]" 1
648 1 57 SER HB3 1 58 GLU H 5.160 . 5.160 3.920 3.285 4.402 . 0 0 "[ . 1 . 2]" 1
649 1 62 CYS HB2 1 64 PHE H 4.810 . 4.810 3.015 2.722 3.450 . 0 0 "[ . 1 . 2]" 1
650 1 63 PRO HD2 1 64 PHE H 4.440 . 4.440 3.194 2.950 3.443 . 0 0 "[ . 1 . 2]" 1
651 1 10 THR HB 1 11 GLN H 3.810 . 3.810 2.363 1.819 3.389 . 0 0 "[ . 1 . 2]" 1
652 1 71 GLY HA3 1 72 THR H 3.140 . 3.140 2.635 2.404 2.821 . 0 0 "[ . 1 . 2]" 1
653 1 30 CYS H 1 31 ALA HA 4.230 . 4.230 4.225 4.110 4.277 0.047 2 0 "[ . 1 . 2]" 1
654 1 53 SER HA 1 57 SER H 5.150 . 5.150 4.666 4.197 5.115 . 0 0 "[ . 1 . 2]" 1
655 1 29 ILE H 1 31 ALA H 4.380 . 4.380 3.721 3.465 3.860 . 0 0 "[ . 1 . 2]" 1
656 1 66 ARG H 1 67 CYS H 3.680 . 3.680 2.721 2.518 3.077 . 0 0 "[ . 1 . 2]" 1
657 1 36 ASP H 1 37 VAL H 3.010 . 3.010 2.162 1.935 2.342 . 0 0 "[ . 1 . 2]" 1
658 1 37 VAL H 1 46 MET H 3.800 . 3.800 3.125 2.955 3.269 . 0 0 "[ . 1 . 2]" 1
659 1 46 MET HG2 1 47 CYS H 4.450 . 4.450 4.188 4.054 4.313 . 0 0 "[ . 1 . 2]" 1
660 1 27 CYS HB2 1 28 LYS H 4.690 . 4.690 4.320 4.119 4.427 . 0 0 "[ . 1 . 2]" 1
661 1 63 PRO HD3 1 64 PHE H 4.440 . 4.440 4.175 3.983 4.296 . 0 0 "[ . 1 . 2]" 1
662 1 28 LYS H 1 64 PHE HZ 4.640 . 4.640 3.320 2.448 3.631 . 0 0 "[ . 1 . 2]" 1
663 1 37 VAL H 1 48 THR H 4.630 . 4.630 3.808 3.618 4.103 . 0 0 "[ . 1 . 2]" 1
664 1 45 LEU H 1 46 MET H 4.630 . 4.630 4.406 4.295 4.499 . 0 0 "[ . 1 . 2]" 1
665 1 37 VAL H 1 45 LEU HA 5.190 . 5.190 4.680 4.443 4.826 . 0 0 "[ . 1 . 2]" 1
666 1 51 LEU HA 1 54 TRP H 3.950 . 3.950 3.582 3.408 3.785 . 0 0 "[ . 1 . 2]" 1
667 1 63 PRO HD2 1 65 CYS H 5.500 . 5.500 5.223 5.089 5.368 . 0 0 "[ . 1 . 2]" 1
668 1 27 CYS HB2 1 33 ASN HD21 5.500 . 5.500 5.462 5.037 5.567 0.067 7 0 "[ . 1 . 2]" 1
669 1 36 ASP H 1 46 MET HG3 5.500 . 5.500 5.392 5.054 5.546 0.046 2 0 "[ . 1 . 2]" 1
670 1 51 LEU HG 1 52 THR H 5.040 . 5.040 3.943 3.585 5.013 . 0 0 "[ . 1 . 2]" 1
671 1 39 ILE MD 1 51 LEU H 5.380 . 5.380 5.316 5.023 5.439 0.059 14 0 "[ . 1 . 2]" 1
672 1 14 TYR QD 1 16 LEU MD1 5.500 . 5.500 4.403 3.051 5.533 0.033 20 0 "[ . 1 . 2]" 1
673 1 54 TRP HD1 1 63 PRO HG2 5.170 . 5.170 5.126 4.999 5.183 0.013 8 0 "[ . 1 . 2]" 1
674 1 28 LYS HD2 1 64 PHE QE 5.500 . 5.500 4.025 2.026 5.510 0.010 4 0 "[ . 1 . 2]" 1
675 1 28 LYS HD3 1 64 PHE QE 5.500 . 5.500 3.949 2.110 5.541 0.041 1 0 "[ . 1 . 2]" 1
676 1 46 MET HG2 1 64 PHE QE 5.020 . 5.020 4.737 4.488 4.994 . 0 0 "[ . 1 . 2]" 1
677 1 55 GLN HA 1 58 GLU H 4.290 . 4.290 3.539 2.869 3.987 . 0 0 "[ . 1 . 2]" 1
678 1 41 PRO HD2 1 42 CYS H 4.040 . 4.040 2.570 2.317 2.804 . 0 0 "[ . 1 . 2]" 1
679 1 54 TRP H 1 54 TRP HD1 5.080 . 5.080 4.778 4.683 4.914 . 0 0 "[ . 1 . 2]" 1
680 1 25 GLN H 1 26 LEU H 4.730 . 4.730 2.692 1.751 4.491 . 0 0 "[ . 1 . 2]" 1
681 1 28 LYS H 1 64 PHE QE 4.590 . 4.590 4.395 3.767 4.621 0.031 2 0 "[ . 1 . 2]" 1
682 1 64 PHE QD 1 66 ARG H 5.500 . 5.500 5.245 5.087 5.475 . 0 0 "[ . 1 . 2]" 1
683 1 63 PRO HG2 1 64 PHE QD 4.650 . 4.650 2.726 2.693 2.751 . 0 0 "[ . 1 . 2]" 1
684 1 39 ILE MG 1 72 THR HA 4.630 . 4.630 4.412 4.267 4.551 . 0 0 "[ . 1 . 2]" 1
685 1 47 CYS HA 1 48 THR HA 4.400 . 4.400 4.239 4.184 4.310 . 0 0 "[ . 1 . 2]" 1
686 1 47 CYS HA 1 50 CYS H 5.090 . 5.090 4.831 4.716 5.029 . 0 0 "[ . 1 . 2]" 1
687 1 19 GLU H 1 20 MET HA 5.500 . 5.500 4.767 3.652 5.543 0.043 11 0 "[ . 1 . 2]" 1
688 1 42 CYS H 1 43 GLY HA2 5.500 . 5.500 5.078 4.873 5.315 . 0 0 "[ . 1 . 2]" 1
689 1 47 CYS HA 1 48 THR HB 5.240 . 5.240 4.805 4.646 4.933 . 0 0 "[ . 1 . 2]" 1
690 1 62 CYS HA 1 63 PRO HD3 3.380 . 3.380 2.455 2.414 2.523 . 0 0 "[ . 1 . 2]" 1
691 1 51 LEU HA 1 54 TRP HB3 3.960 . 3.960 2.700 2.582 2.941 . 0 0 "[ . 1 . 2]" 1
692 1 69 ILE HA 1 70 LYS HA 5.340 . 5.340 4.388 4.332 4.441 . 0 0 "[ . 1 . 2]" 1
693 1 62 CYS HA 1 63 PRO HD2 3.420 . 3.420 2.190 2.092 2.259 . 0 0 "[ . 1 . 2]" 1
694 1 53 SER HB3 1 54 TRP HB2 4.800 . 4.800 4.450 3.985 4.872 0.072 5 0 "[ . 1 . 2]" 1
695 1 38 LYS HE2 1 43 GLY HA2 5.200 . 5.200 3.004 2.262 4.627 . 0 0 "[ . 1 . 2]" 1
696 1 38 LYS HE3 1 43 GLY HA2 5.200 . 5.200 4.072 2.788 4.511 . 0 0 "[ . 1 . 2]" 1
697 1 79 PRO HA 1 82 PRO HB3 3.600 . 3.600 3.438 2.480 3.690 0.090 4 0 "[ . 1 . 2]" 1
698 1 25 GLN HA 1 25 GLN HG2 4.190 . 4.190 3.077 2.489 3.782 . 0 0 "[ . 1 . 2]" 1
699 1 56 GLU HA 1 56 GLU HG3 3.950 . 3.950 3.307 2.848 3.745 . 0 0 "[ . 1 . 2]" 1
700 1 39 ILE HA 1 39 ILE HG12 3.910 . 3.910 3.672 3.638 3.704 . 0 0 "[ . 1 . 2]" 1
701 1 68 GLU HA 1 68 GLU HB3 3.010 . 3.010 2.464 2.413 2.563 . 0 0 "[ . 1 . 2]" 1
702 1 26 LEU HB3 1 31 ALA HA 3.300 . 3.300 2.650 2.259 3.003 . 0 0 "[ . 1 . 2]" 1
703 1 52 THR HA 1 52 THR MG 2.810 . 2.810 2.315 2.278 2.371 . 0 0 "[ . 1 . 2]" 1
704 1 10 THR HA 1 10 THR MG 3.170 . 3.170 2.314 2.258 2.425 . 0 0 "[ . 1 . 2]" 1
705 1 23 THR HA 1 23 THR MG 3.540 . 3.540 2.400 2.239 3.247 . 0 0 "[ . 1 . 2]" 1
706 1 52 THR MG 1 53 SER HA 3.920 . 3.920 3.792 3.594 3.925 0.005 9 0 "[ . 1 . 2]" 1
707 1 39 ILE HA 1 72 THR MG 3.520 . 3.520 2.494 1.994 3.128 . 0 0 "[ . 1 . 2]" 1
708 1 39 ILE HA 1 39 ILE MG 3.260 . 3.260 2.543 2.506 2.583 . 0 0 "[ . 1 . 2]" 1
709 1 44 HIS HA 1 45 LEU MD2 5.170 . 5.170 3.199 2.279 4.421 . 0 0 "[ . 1 . 2]" 1
710 1 3 LEU HA 1 3 LEU MD2 4.120 . 4.120 3.461 2.052 3.924 . 0 0 "[ . 1 . 2]" 1
711 1 76 VAL HA 1 77 VAL MG2 3.910 . 3.910 3.523 2.887 4.012 0.102 7 0 "[ . 1 . 2]" 1
712 1 3 LEU HA 1 3 LEU MD1 4.120 . 4.120 2.515 2.053 3.902 . 0 0 "[ . 1 . 2]" 1
713 1 37 VAL MG2 1 39 ILE HA 4.710 . 4.710 3.707 3.457 3.966 . 0 0 "[ . 1 . 2]" 1
714 1 75 ILE MG 1 76 VAL HA 4.170 . 4.170 3.556 3.237 4.203 0.033 8 0 "[ . 1 . 2]" 1
715 1 26 LEU HA 1 26 LEU MD2 4.590 . 4.590 2.125 1.968 3.754 . 0 0 "[ . 1 . 2]" 1
716 1 26 LEU HA 1 26 LEU MD1 4.590 . 4.590 3.735 2.043 3.866 . 0 0 "[ . 1 . 2]" 1
717 1 26 LEU MD1 1 31 ALA HA 4.510 . 4.510 3.147 2.423 4.457 . 0 0 "[ . 1 . 2]" 1
718 1 26 LEU MD2 1 31 ALA HA 4.510 . 4.510 3.766 2.715 4.251 . 0 0 "[ . 1 . 2]" 1
719 1 37 VAL MG1 1 72 THR HB 4.660 . 4.660 4.356 4.082 4.665 0.005 11 0 "[ . 1 . 2]" 1
720 1 29 ILE HA 1 29 ILE HG13 4.010 . 4.010 3.138 3.034 3.205 . 0 0 "[ . 1 . 2]" 1
721 1 16 LEU HA 1 16 LEU MD2 4.130 . 4.130 3.713 2.178 4.116 . 0 0 "[ . 1 . 2]" 1
722 1 9 VAL HA 1 9 VAL MG1 3.520 . 3.520 2.794 2.260 3.263 . 0 0 "[ . 1 . 2]" 1
723 1 9 VAL HA 1 9 VAL MG2 3.520 . 3.520 2.747 2.356 3.247 . 0 0 "[ . 1 . 2]" 1
724 1 7 ILE HA 1 7 ILE MG 3.080 . 3.080 2.509 2.263 3.195 0.115 18 0 "[ . 1 . 2]" 1
725 1 37 VAL MG2 1 72 THR HB 2.810 . 2.810 2.098 1.933 2.419 . 0 0 "[ . 1 . 2]" 1
726 1 69 ILE HA 1 69 ILE MG 3.130 . 3.130 2.452 2.412 2.502 . 0 0 "[ . 1 . 2]" 1
727 1 29 ILE HA 1 29 ILE MG 2.990 . 2.990 2.319 2.269 2.375 . 0 0 "[ . 1 . 2]" 1
728 1 38 LYS HG3 1 43 GLY HA2 4.210 . 4.210 2.885 2.149 3.233 . 0 0 "[ . 1 . 2]" 1
729 1 39 ILE MG 1 69 ILE HA 3.440 . 3.440 2.164 1.900 2.423 . 0 0 "[ . 1 . 2]" 1
730 1 51 LEU HA 1 63 PRO HG2 4.780 . 4.780 4.733 4.509 4.813 0.033 8 0 "[ . 1 . 2]" 1
731 1 71 GLY HA3 1 72 THR MG 4.790 . 4.790 4.472 4.379 4.574 . 0 0 "[ . 1 . 2]" 1
732 1 29 ILE HA 1 29 ILE MD 4.150 . 4.150 3.885 3.862 3.907 . 0 0 "[ . 1 . 2]" 1
733 1 29 ILE MD 1 62 CYS HB3 5.310 . 5.310 5.179 5.003 5.327 0.017 19 0 "[ . 1 . 2]" 1
734 1 62 CYS HB2 1 69 ILE MD 4.980 . 4.980 4.925 4.764 5.011 0.031 15 0 "[ . 1 . 2]" 1
735 1 63 PRO HD2 1 69 ILE MD 5.270 . 5.270 4.083 3.688 4.450 . 0 0 "[ . 1 . 2]" 1
736 1 29 ILE MG 1 50 CYS HB2 4.490 . 4.490 3.797 3.521 4.343 . 0 0 "[ . 1 . 2]" 1
737 1 48 THR HA 1 48 THR MG 2.910 . 2.910 2.330 2.226 2.429 . 0 0 "[ . 1 . 2]" 1
738 1 48 THR HA 1 51 LEU HB2 3.860 . 3.860 3.165 2.585 3.479 . 0 0 "[ . 1 . 2]" 1
739 1 29 ILE HA 1 29 ILE HG12 4.010 . 4.010 2.641 2.590 2.676 . 0 0 "[ . 1 . 2]" 1
740 1 63 PRO HD3 1 69 ILE MD 3.920 . 3.920 3.462 3.012 3.933 0.013 3 0 "[ . 1 . 2]" 1
741 1 37 VAL MG1 1 48 THR HA 3.140 . 3.140 2.182 2.066 2.300 . 0 0 "[ . 1 . 2]" 1
742 1 39 ILE MG 1 62 CYS HB2 5.210 . 5.210 4.897 4.600 5.070 . 0 0 "[ . 1 . 2]" 1
743 1 39 ILE MG 1 63 PRO HD2 5.500 . 5.500 5.157 4.915 5.340 . 0 0 "[ . 1 . 2]" 1
744 1 50 CYS HB2 1 63 PRO HG3 4.990 . 4.990 4.162 3.870 4.526 . 0 0 "[ . 1 . 2]" 1
745 1 62 CYS HB3 1 63 PRO HG3 5.130 . 5.130 5.010 4.839 5.142 0.012 6 0 "[ . 1 . 2]" 1
746 1 39 ILE MD 1 62 CYS HB3 4.330 . 4.330 3.948 3.621 4.304 . 0 0 "[ . 1 . 2]" 1
747 1 30 CYS HB2 1 32 GLU HB2 4.880 . 4.880 2.862 2.387 3.857 . 0 0 "[ . 1 . 2]" 1
748 1 30 CYS HB2 1 32 GLU HB3 4.880 . 4.880 3.883 2.262 4.904 0.024 5 0 "[ . 1 . 2]" 1
749 1 48 THR HA 1 51 LEU HB3 3.320 . 3.320 2.222 1.922 2.608 . 0 0 "[ . 1 . 2]" 1
750 1 73 GLU HG2 1 74 PRO HD3 5.500 . 5.500 4.651 4.048 5.547 0.047 8 0 "[ . 1 . 2]" 1
751 1 73 GLU HG3 1 74 PRO HD3 5.500 . 5.500 4.764 3.831 5.538 0.038 12 0 "[ . 1 . 2]" 1
752 1 8 LYS HB3 1 8 LYS HE2 5.320 . 5.320 4.040 1.930 4.802 . 0 0 "[ . 1 . 2]" 1
753 1 8 LYS HB3 1 8 LYS HE3 5.320 . 5.320 4.099 2.097 5.431 0.111 14 0 "[ . 1 . 2]" 1
754 1 33 ASN HB2 1 47 CYS HB2 4.030 . 4.030 3.328 2.779 4.014 . 0 0 "[ . 1 . 2]" 1
755 1 81 ASP HA 1 82 PRO HD3 3.540 . 3.540 2.300 2.031 2.644 . 0 0 "[ . 1 . 2]" 1
756 1 15 GLU HA 1 17 TYR QD 5.040 . 5.040 2.663 2.180 3.637 . 0 0 "[ . 1 . 2]" 1
757 1 54 TRP HE1 1 63 PRO HD2 5.130 . 5.130 4.827 4.642 4.986 . 0 0 "[ . 1 . 2]" 1
758 1 62 CYS HB3 1 66 ARG H 4.470 . 4.470 4.201 3.878 4.450 . 0 0 "[ . 1 . 2]" 1
759 1 39 ILE HB 1 43 GLY H 4.530 . 4.530 3.820 3.524 4.102 . 0 0 "[ . 1 . 2]" 1
760 1 4 GLN HG3 1 5 ASP H 5.060 . 5.060 4.274 3.143 5.103 0.043 15 0 "[ . 1 . 2]" 1
761 1 54 TRP HH2 1 63 PRO HA 5.130 . 5.130 4.546 4.189 5.009 . 0 0 "[ . 1 . 2]" 1
762 1 54 TRP HD1 1 63 PRO HA 4.650 . 4.650 3.975 3.687 4.378 . 0 0 "[ . 1 . 2]" 1
763 1 46 MET HG3 1 47 CYS HA 5.220 . 5.220 4.151 3.967 4.260 . 0 0 "[ . 1 . 2]" 1
764 1 39 ILE HB 1 40 GLU HA 5.250 . 5.250 4.980 4.812 5.137 . 0 0 "[ . 1 . 2]" 1
765 1 42 CYS HB3 1 44 HIS HA 5.500 . 5.500 5.269 4.176 5.528 0.028 8 0 "[ . 1 . 2]" 1
766 1 73 GLU HG2 1 74 PRO HD2 5.000 . 5.000 3.605 2.572 5.025 0.025 7 0 "[ . 1 . 2]" 1
767 1 73 GLU HG3 1 74 PRO HD2 5.000 . 5.000 3.694 2.194 5.010 0.010 13 0 "[ . 1 . 2]" 1
768 1 33 ASN HB2 1 47 CYS HB3 4.160 . 4.160 2.995 2.489 4.083 . 0 0 "[ . 1 . 2]" 1
769 1 27 CYS HB2 1 33 ASN HB2 4.240 . 4.240 3.826 3.500 4.317 0.077 2 0 "[ . 1 . 2]" 1
770 1 46 MET HG3 1 51 LEU HB2 4.190 . 4.190 2.635 2.066 2.918 . 0 0 "[ . 1 . 2]" 1
771 1 38 LYS HB3 1 38 LYS HE2 5.370 . 5.370 4.515 3.728 4.834 . 0 0 "[ . 1 . 2]" 1
772 1 38 LYS HB3 1 38 LYS HE3 5.370 . 5.370 4.474 2.064 4.894 . 0 0 "[ . 1 . 2]" 1
773 1 37 VAL MG1 1 46 MET HG3 3.760 . 3.760 2.503 2.386 2.679 . 0 0 "[ . 1 . 2]" 1
774 1 37 VAL MG1 1 46 MET HG2 3.630 . 3.630 2.622 2.415 2.789 . 0 0 "[ . 1 . 2]" 1
775 1 29 ILE MD 1 50 CYS HB3 3.540 . 3.540 2.189 2.030 2.290 . 0 0 "[ . 1 . 2]" 1
776 1 46 MET ME 1 63 PRO HB2 4.650 . 4.650 4.527 4.214 4.659 0.009 13 0 "[ . 1 . 2]" 1
777 1 37 VAL MG1 1 46 MET ME 4.830 . 4.830 4.196 3.984 4.345 . 0 0 "[ . 1 . 2]" 1
778 1 29 ILE MD 1 63 PRO HG2 4.150 . 4.150 2.117 1.996 2.278 . 0 0 "[ . 1 . 2]" 1
779 1 26 LEU HB3 1 26 LEU MD1 3.460 . 3.460 2.394 2.325 3.197 . 0 0 "[ . 1 . 2]" 1
780 1 26 LEU HB2 1 26 LEU MD1 3.560 . 3.560 2.331 2.272 2.534 . 0 0 "[ . 1 . 2]" 1
781 1 26 LEU HB2 1 26 LEU MD2 3.560 . 3.560 3.159 2.278 3.224 . 0 0 "[ . 1 . 2]" 1
782 1 37 VAL MG1 1 72 THR MG 3.720 . 3.720 3.642 3.389 3.746 0.026 13 0 "[ . 1 . 2]" 1
783 1 75 ILE HB 1 75 ILE MD 3.560 . 3.560 2.402 2.345 2.452 . 0 0 "[ . 1 . 2]" 1
784 1 38 LYS HB3 1 75 ILE MG 5.030 . 5.030 4.903 4.521 5.072 0.042 18 0 "[ . 1 . 2]" 1
785 1 38 LYS HB2 1 75 ILE MG 4.050 . 4.050 3.853 3.553 4.016 . 0 0 "[ . 1 . 2]" 1
786 1 37 VAL MG1 1 48 THR MG 3.760 . 3.760 3.252 2.924 3.499 . 0 0 "[ . 1 . 2]" 1
787 1 37 VAL MG2 1 48 THR MG 3.590 . 3.590 3.210 2.537 3.616 0.026 19 0 "[ . 1 . 2]" 1
788 1 39 ILE MD 1 46 MET ME 3.080 . 3.080 2.023 1.901 2.255 . 0 0 "[ . 1 . 2]" 1
789 1 39 ILE HG12 1 39 ILE MG 3.730 . 3.730 2.235 2.215 2.265 . 0 0 "[ . 1 . 2]" 1
790 1 48 THR HA 1 51 LEU HG 4.570 . 4.570 4.411 3.539 4.609 0.039 17 0 "[ . 1 . 2]" 1
791 1 39 ILE MG 1 41 PRO HA 5.500 . 5.500 5.119 5.000 5.290 . 0 0 "[ . 1 . 2]" 1
792 1 39 ILE MD 1 46 MET HA 5.500 . 5.500 5.179 5.022 5.323 . 0 0 "[ . 1 . 2]" 1
793 1 38 LYS HA 1 39 ILE MD 5.430 . 5.430 2.990 2.820 3.123 . 0 0 "[ . 1 . 2]" 1
794 1 55 GLN HE21 1 69 ILE MG 4.040 . 4.040 3.365 2.513 4.104 0.064 7 0 "[ . 1 . 2]" 1
795 1 55 GLN HE21 1 69 ILE MD 4.200 . 4.200 3.349 1.862 4.096 . 0 0 "[ . 1 . 2]" 1
796 1 26 LEU H 1 26 LEU MD2 4.600 . 4.600 3.505 2.688 4.039 . 0 0 "[ . 1 . 2]" 1
797 1 14 TYR QD 1 16 LEU MD2 5.500 . 5.500 4.906 3.260 5.631 0.131 14 0 "[ . 1 . 2]" 1
798 1 44 HIS HD2 1 45 LEU MD1 5.500 . 5.500 5.331 4.087 5.587 0.087 11 0 "[ . 1 . 2]" 1
799 1 44 HIS HD2 1 45 LEU MD2 5.500 . 5.500 4.685 3.670 5.609 0.109 18 0 "[ . 1 . 2]" 1
800 1 55 GLN HE22 1 69 ILE MD 4.200 . 4.200 3.786 2.490 4.219 0.019 8 0 "[ . 1 . 2]" 1
801 1 63 PRO HB2 1 64 PHE QE 5.210 . 5.210 4.768 4.460 5.218 0.008 17 0 "[ . 1 . 2]" 1
802 1 75 ILE H 1 75 ILE MG 3.970 . 3.970 3.854 3.799 4.002 0.032 3 0 "[ . 1 . 2]" 1
803 1 75 ILE H 1 75 ILE MD 4.520 . 4.520 3.812 3.619 4.351 . 0 0 "[ . 1 . 2]" 1
804 1 69 ILE MG 1 71 GLY H 4.000 . 4.000 3.608 3.228 4.033 0.033 19 0 "[ . 1 . 2]" 1
805 1 69 ILE MG 1 70 LYS H 3.880 . 3.880 3.155 2.801 3.448 . 0 0 "[ . 1 . 2]" 1
806 1 7 ILE MG 1 8 LYS H 4.320 . 4.320 3.348 1.974 4.234 . 0 0 "[ . 1 . 2]" 1
807 1 39 ILE MD 1 40 GLU H 5.190 . 5.190 4.804 4.688 4.884 . 0 0 "[ . 1 . 2]" 1
808 1 26 LEU H 1 26 LEU MD1 4.600 . 4.600 3.852 2.623 4.648 0.048 1 0 "[ . 1 . 2]" 1
809 1 74 PRO HA 1 75 ILE MG 5.500 . 5.500 5.457 5.411 5.552 0.052 3 0 "[ . 1 . 2]" 1
810 1 38 LYS HA 1 75 ILE MG 5.380 . 5.380 5.393 5.233 5.441 0.061 5 0 "[ . 1 . 2]" 1
811 1 38 LYS HA 1 75 ILE MD 4.740 . 4.740 2.771 2.527 3.173 . 0 0 "[ . 1 . 2]" 1
812 1 39 ILE MG 1 40 GLU HA 4.520 . 4.520 3.682 3.441 3.782 . 0 0 "[ . 1 . 2]" 1
813 1 3 LEU HA 1 3 LEU QD 3.590 . 3.590 2.147 2.024 2.681 . 0 0 "[ . 1 . 2]" 1
814 1 4 GLN HA 1 4 GLN QG 3.710 . 3.710 2.760 2.401 3.364 . 0 0 "[ . 1 . 2]" 1
815 1 4 GLN QB 1 5 ASP H 4.180 . 4.180 2.802 1.900 4.035 . 0 0 "[ . 1 . 2]" 1
816 1 4 GLN QG 1 5 ASP H 4.300 . 4.300 3.786 2.627 4.302 0.002 1 0 "[ . 1 . 2]" 1
817 1 6 HIS QB 1 7 ILE H 4.140 . 4.140 3.194 1.808 3.977 . 0 0 "[ . 1 . 2]" 1
818 1 7 ILE QG 1 7 ILE MG 3.220 . 3.220 2.303 2.085 2.422 . 0 0 "[ . 1 . 2]" 1
819 1 8 LYS H 1 8 LYS QB 3.520 . 3.520 2.675 2.235 3.403 . 0 0 "[ . 1 . 2]" 1
820 1 8 LYS HA 1 9 VAL QG 5.390 . 5.390 3.714 3.255 4.520 . 0 0 "[ . 1 . 2]" 1
821 1 8 LYS QB 1 8 LYS QE 4.090 . 4.090 2.941 1.876 3.829 . 0 0 "[ . 1 . 2]" 1
822 1 8 LYS QB 1 9 VAL H 4.330 . 4.330 2.995 1.799 3.964 . 0 0 "[ . 1 . 2]" 1
823 1 8 LYS QE 1 8 LYS QG 3.300 . 3.300 2.345 2.100 2.889 . 0 0 "[ . 1 . 2]" 1
824 1 8 LYS QE 1 9 VAL H 4.510 . 4.510 4.019 2.332 4.611 0.101 10 0 "[ . 1 . 2]" 1
825 1 9 VAL H 1 9 VAL QG 3.680 . 3.680 2.127 1.789 2.626 . 0 0 "[ . 1 . 2]" 1
826 1 9 VAL HA 1 9 VAL QG 3.050 . 3.050 2.306 2.167 2.411 . 0 0 "[ . 1 . 2]" 1
827 1 9 VAL QG 1 10 THR H 4.290 . 4.290 3.031 2.102 3.760 . 0 0 "[ . 1 . 2]" 1
828 1 9 VAL QG 1 14 TYR H 4.560 . 4.560 4.073 3.004 4.679 0.119 11 0 "[ . 1 . 2]" 1
829 1 10 THR HB 1 11 GLN QB 4.530 . 4.530 4.031 3.561 4.602 0.072 7 0 "[ . 1 . 2]" 1
830 1 11 GLN H 1 11 GLN QB 3.350 . 3.350 2.476 2.136 2.871 . 0 0 "[ . 1 . 2]" 1
831 1 11 GLN H 1 11 GLN QG 4.430 . 4.430 2.946 1.893 4.015 . 0 0 "[ . 1 . 2]" 1
832 1 11 GLN QB 1 12 GLU H 3.740 . 3.740 2.978 2.338 3.786 0.046 5 0 "[ . 1 . 2]" 1
833 1 12 GLU H 1 12 GLU QB 3.630 . 3.630 2.763 2.188 3.321 . 0 0 "[ . 1 . 2]" 1
834 1 12 GLU H 1 12 GLU QG 4.580 . 4.580 3.342 2.175 4.550 . 0 0 "[ . 1 . 2]" 1
835 1 13 GLN H 1 13 GLN QB 3.660 . 3.660 2.492 2.221 2.787 . 0 0 "[ . 1 . 2]" 1
836 1 13 GLN H 1 13 GLN QG 4.360 . 4.360 2.731 1.800 4.132 . 0 0 "[ . 1 . 2]" 1
837 1 13 GLN HA 1 13 GLN QG 3.690 . 3.690 2.923 2.418 3.382 . 0 0 "[ . 1 . 2]" 1
838 1 13 GLN QB 1 14 TYR H 4.090 . 4.090 3.195 2.343 4.029 . 0 0 "[ . 1 . 2]" 1
839 1 13 GLN QB 1 16 LEU QD 4.760 . 4.760 3.976 2.055 4.769 0.009 19 0 "[ . 1 . 2]" 1
840 1 13 GLN QG 1 14 TYR QD 5.340 . 5.340 4.074 3.044 5.366 0.026 6 0 "[ . 1 . 2]" 1
841 1 14 TYR H 1 15 GLU QB 4.350 . 4.350 4.104 3.428 4.374 0.024 18 0 "[ . 1 . 2]" 1
842 1 14 TYR HA 1 16 LEU QD 4.960 . 4.960 2.935 2.089 5.063 0.103 17 0 "[ . 1 . 2]" 1
843 1 14 TYR QB 1 15 GLU H 3.890 . 3.890 3.561 2.888 3.742 . 0 0 "[ . 1 . 2]" 1
844 1 15 GLU H 1 15 GLU QB 3.410 . 3.410 2.223 2.026 2.429 . 0 0 "[ . 1 . 2]" 1
845 1 15 GLU H 1 15 GLU QG 4.490 . 4.490 3.511 1.872 4.130 . 0 0 "[ . 1 . 2]" 1
846 1 15 GLU QB 1 16 LEU H 4.050 . 4.050 3.036 2.707 3.719 . 0 0 "[ . 1 . 2]" 1
847 1 15 GLU QB 1 16 LEU HA 4.500 . 4.500 4.183 3.865 4.470 . 0 0 "[ . 1 . 2]" 1
848 1 15 GLU QB 1 16 LEU QD 4.120 . 4.120 3.873 2.650 4.292 0.172 20 0 "[ . 1 . 2]" 1
849 1 16 LEU H 1 16 LEU QB 3.270 . 3.270 2.687 2.362 3.014 . 0 0 "[ . 1 . 2]" 1
850 1 16 LEU H 1 16 LEU QD 4.450 . 4.450 2.343 1.638 2.957 . 0 0 "[ . 1 . 2]" 1
851 1 16 LEU HA 1 16 LEU QD 3.500 . 3.500 3.219 2.167 3.458 . 0 0 "[ . 1 . 2]" 1
852 1 16 LEU QD 1 17 TYR QD 5.440 . 5.440 4.529 3.822 5.213 . 0 0 "[ . 1 . 2]" 1
853 1 20 MET HA 1 21 GLY QA 4.690 . 4.690 4.040 3.848 4.261 . 0 0 "[ . 1 . 2]" 1
854 1 20 MET QB 1 21 GLY QA 4.420 . 4.420 4.016 3.433 4.455 0.035 20 0 "[ . 1 . 2]" 1
855 1 20 MET QG 1 21 GLY H 4.720 . 4.720 3.771 2.756 4.774 0.054 1 0 "[ . 1 . 2]" 1
856 1 23 THR HB 1 26 LEU QD 4.320 . 4.320 3.333 2.018 4.394 0.074 15 0 "[ . 1 . 2]" 1
857 1 23 THR MG 1 26 LEU QD 3.630 . 3.630 2.588 1.888 3.440 . 0 0 "[ . 1 . 2]" 1
858 1 24 PHE QB 1 25 GLN H 4.300 . 4.300 3.065 2.516 3.921 . 0 0 "[ . 1 . 2]" 1
859 1 24 PHE QE 1 45 LEU QD 4.720 . 4.720 4.073 2.426 4.810 0.090 5 0 "[ . 1 . 2]" 1
860 1 25 GLN H 1 25 GLN QB 3.500 . 3.500 2.430 2.115 3.407 . 0 0 "[ . 1 . 2]" 1
861 1 25 GLN HA 1 25 GLN QG 3.330 . 3.330 2.569 2.325 3.321 . 0 0 "[ . 1 . 2]" 1
862 1 25 GLN QB 1 34 ASP HA 5.020 . 5.020 4.356 3.364 5.024 0.004 11 0 "[ . 1 . 2]" 1
863 1 25 GLN QB 1 34 ASP QB 4.360 . 4.360 3.668 1.993 4.419 0.059 6 0 "[ . 1 . 2]" 1
864 1 25 GLN QG 1 26 LEU H 4.540 . 4.540 3.995 2.280 4.444 . 0 0 "[ . 1 . 2]" 1
865 1 25 GLN QG 1 34 ASP QB 4.040 . 4.040 2.934 1.940 4.138 0.098 19 0 "[ . 1 . 2]" 1
866 1 25 GLN QG 1 77 VAL MG2 4.340 . 4.340 3.077 2.020 4.465 0.125 6 0 "[ . 1 . 2]" 1
867 1 26 LEU H 1 26 LEU QD 3.960 . 3.960 3.199 2.581 3.728 . 0 0 "[ . 1 . 2]" 1
868 1 26 LEU HA 1 26 LEU QD 3.150 . 3.150 2.031 1.962 2.111 . 0 0 "[ . 1 . 2]" 1
869 1 26 LEU HB2 1 26 LEU QD 3.060 . 3.060 2.261 2.123 2.306 . 0 0 "[ . 1 . 2]" 1
870 1 26 LEU HB3 1 26 LEU QD 2.960 . 2.960 2.121 2.098 2.339 . 0 0 "[ . 1 . 2]" 1
871 1 26 LEU QD 1 27 CYS H 4.270 . 4.270 3.180 2.824 3.522 . 0 0 "[ . 1 . 2]" 1
872 1 26 LEU QD 1 31 ALA HA 3.670 . 3.670 2.935 2.366 3.358 . 0 0 "[ . 1 . 2]" 1
873 1 26 LEU QD 1 31 ALA MB 3.540 . 3.540 3.065 2.565 3.526 . 0 0 "[ . 1 . 2]" 1
874 1 26 LEU QD 1 32 GLU H 4.690 . 4.690 3.791 3.217 4.315 . 0 0 "[ . 1 . 2]" 1
875 1 26 LEU QD 1 32 GLU HA 3.500 . 3.500 3.300 2.734 3.529 0.029 6 0 "[ . 1 . 2]" 1
876 1 26 LEU QD 1 33 ASN H 4.220 . 4.220 3.894 3.565 4.331 0.111 14 0 "[ . 1 . 2]" 1
877 1 26 LEU QD 1 34 ASP H 4.310 . 4.310 3.916 3.471 4.318 0.008 14 0 "[ . 1 . 2]" 1
878 1 26 LEU QD 1 34 ASP HA 4.090 . 4.090 2.662 2.021 3.228 . 0 0 "[ . 1 . 2]" 1
879 1 28 LYS H 1 28 LYS QB 3.280 . 3.280 2.308 2.173 2.603 . 0 0 "[ . 1 . 2]" 1
880 1 28 LYS H 1 28 LYS QG 5.110 . 5.110 3.468 2.043 4.070 . 0 0 "[ . 1 . 2]" 1
881 1 28 LYS H 1 29 ILE QG 4.390 . 4.390 3.703 3.435 4.044 . 0 0 "[ . 1 . 2]" 1
882 1 28 LYS HA 1 28 LYS QG 3.550 . 3.550 2.636 2.340 3.091 . 0 0 "[ . 1 . 2]" 1
883 1 28 LYS HA 1 28 LYS QD 4.750 . 4.750 3.293 1.939 4.277 . 0 0 "[ . 1 . 2]" 1
884 1 28 LYS QB 1 28 LYS QD 3.250 . 3.250 2.243 2.073 2.426 . 0 0 "[ . 1 . 2]" 1
885 1 28 LYS QB 1 29 ILE H 4.020 . 4.020 3.092 2.880 3.476 . 0 0 "[ . 1 . 2]" 1
886 1 28 LYS QB 1 64 PHE HZ 3.460 . 3.460 2.057 1.876 2.628 . 0 0 "[ . 1 . 2]" 1
887 1 28 LYS QG 1 64 PHE QE 4.310 . 4.310 3.257 2.161 4.337 0.027 10 0 "[ . 1 . 2]" 1
888 1 29 ILE H 1 29 ILE QG 3.140 . 3.140 1.964 1.831 2.126 . 0 0 "[ . 1 . 2]" 1
889 1 29 ILE H 1 46 MET QB 5.340 . 5.340 4.220 3.865 4.702 . 0 0 "[ . 1 . 2]" 1
890 1 29 ILE HA 1 29 ILE QG 3.390 . 3.390 2.510 2.462 2.548 . 0 0 "[ . 1 . 2]" 1
891 1 29 ILE QG 1 30 CYS H 4.130 . 4.130 3.772 3.676 3.859 . 0 0 "[ . 1 . 2]" 1
892 1 29 ILE QG 1 46 MET ME 5.080 . 5.080 3.877 3.620 4.431 . 0 0 "[ . 1 . 2]" 1
893 1 29 ILE QG 1 64 PHE HZ 3.760 . 3.760 2.316 2.152 2.609 . 0 0 "[ . 1 . 2]" 1
894 1 29 ILE MD 1 46 MET QB 3.800 . 3.800 2.433 2.182 3.140 . 0 0 "[ . 1 . 2]" 1
895 1 30 CYS HB2 1 32 GLU QB 4.140 . 4.140 2.649 2.206 3.465 . 0 0 "[ . 1 . 2]" 1
896 1 32 GLU HA 1 32 GLU QG 3.700 . 3.700 2.635 2.405 2.994 . 0 0 "[ . 1 . 2]" 1
897 1 33 ASN HD21 1 49 SER QB 3.290 . 3.290 2.305 1.990 2.673 . 0 0 "[ . 1 . 2]" 1
898 1 34 ASP H 1 34 ASP QB 2.980 . 2.980 2.518 2.193 2.815 . 0 0 "[ . 1 . 2]" 1
899 1 34 ASP QB 1 35 LYS H 3.500 . 3.500 2.575 2.129 3.475 . 0 0 "[ . 1 . 2]" 1
900 1 34 ASP QB 1 36 ASP H 5.340 . 5.340 4.773 3.630 5.349 0.009 17 0 "[ . 1 . 2]" 1
901 1 35 LYS H 1 35 LYS QB 3.490 . 3.490 2.503 2.110 2.853 . 0 0 "[ . 1 . 2]" 1
902 1 35 LYS H 1 35 LYS QG 4.600 . 4.600 2.482 2.050 3.894 . 0 0 "[ . 1 . 2]" 1
903 1 35 LYS HA 1 36 ASP QB 5.340 . 5.340 4.213 3.694 4.570 . 0 0 "[ . 1 . 2]" 1
904 1 35 LYS QB 1 36 ASP H 4.060 . 4.060 3.541 3.219 3.920 . 0 0 "[ . 1 . 2]" 1
905 1 35 LYS QB 1 37 VAL H 4.440 . 4.440 3.834 3.398 4.523 0.083 6 0 "[ . 1 . 2]" 1
906 1 35 LYS QB 1 46 MET H 4.210 . 4.210 2.985 2.638 4.318 0.108 6 0 "[ . 1 . 2]" 1
907 1 35 LYS QG 1 37 VAL H 5.340 . 5.340 4.749 3.362 5.142 . 0 0 "[ . 1 . 2]" 1
908 1 35 LYS QG 1 45 LEU HA 4.500 . 4.500 4.418 3.554 4.580 0.080 9 0 "[ . 1 . 2]" 1
909 1 35 LYS QG 1 45 LEU QD 4.630 . 4.630 3.854 2.469 4.653 0.023 20 0 "[ . 1 . 2]" 1
910 1 35 LYS QG 1 46 MET H 5.190 . 5.190 3.816 2.310 4.730 . 0 0 "[ . 1 . 2]" 1
911 1 35 LYS QE 1 45 LEU QB 4.650 . 4.650 3.026 1.832 4.338 . 0 0 "[ . 1 . 2]" 1
912 1 35 LYS QE 1 45 LEU QD 4.740 . 4.740 3.309 2.084 4.591 . 0 0 "[ . 1 . 2]" 1
913 1 36 ASP QB 1 37 VAL HB 5.030 . 5.030 4.230 3.483 4.714 . 0 0 "[ . 1 . 2]" 1
914 1 36 ASP QB 1 47 CYS HA 4.740 . 4.740 3.380 2.066 4.113 . 0 0 "[ . 1 . 2]" 1
915 1 36 ASP QB 1 47 CYS HB2 5.340 . 5.340 4.110 2.933 5.022 . 0 0 "[ . 1 . 2]" 1
916 1 36 ASP QB 1 48 THR H 4.720 . 4.720 3.409 1.935 4.128 . 0 0 "[ . 1 . 2]" 1
917 1 37 VAL MG1 1 51 LEU QD 2.860 . 2.860 2.060 1.843 2.520 . 0 0 "[ . 1 . 2]" 1
918 1 38 LYS H 1 38 LYS QG 4.600 . 4.600 3.964 3.884 4.024 . 0 0 "[ . 1 . 2]" 1
919 1 38 LYS HA 1 38 LYS QG 3.630 . 3.630 2.557 2.462 2.655 . 0 0 "[ . 1 . 2]" 1
920 1 38 LYS HA 1 45 LEU QD 3.230 . 3.230 2.707 2.222 3.066 . 0 0 "[ . 1 . 2]" 1
921 1 38 LYS HB2 1 45 LEU QD 3.240 . 3.240 2.519 2.240 3.186 . 0 0 "[ . 1 . 2]" 1
922 1 38 LYS HB3 1 38 LYS QE 4.540 . 4.540 3.939 2.054 4.238 . 0 0 "[ . 1 . 2]" 1
923 1 38 LYS HB3 1 45 LEU QD 4.320 . 4.320 3.808 3.578 4.258 . 0 0 "[ . 1 . 2]" 1
924 1 38 LYS QG 1 39 ILE H 3.590 . 3.590 3.102 2.807 3.259 . 0 0 "[ . 1 . 2]" 1
925 1 38 LYS QG 1 43 GLY H 4.370 . 4.370 3.742 3.187 3.979 . 0 0 "[ . 1 . 2]" 1
926 1 38 LYS QG 1 43 GLY HA3 4.620 . 4.620 4.131 3.246 4.539 . 0 0 "[ . 1 . 2]" 1
927 1 38 LYS QG 1 45 LEU QD 3.570 . 3.570 2.195 2.021 2.382 . 0 0 "[ . 1 . 2]" 1
928 1 38 LYS QG 1 75 ILE MD 4.570 . 4.570 3.758 3.303 4.188 . 0 0 "[ . 1 . 2]" 1
929 1 38 LYS QD 1 45 LEU QD 3.320 . 3.320 2.379 1.950 2.893 . 0 0 "[ . 1 . 2]" 1
930 1 38 LYS QD 1 75 ILE HG12 3.950 . 3.950 3.173 2.844 3.533 . 0 0 "[ . 1 . 2]" 1
931 1 38 LYS QD 1 75 ILE MD 4.130 . 4.130 3.640 3.190 4.046 . 0 0 "[ . 1 . 2]" 1
932 1 38 LYS QE 1 43 GLY HA2 4.470 . 4.470 2.794 2.169 4.053 . 0 0 "[ . 1 . 2]" 1
933 1 38 LYS QE 1 43 GLY HA3 4.740 . 4.740 3.814 3.090 4.775 0.035 6 0 "[ . 1 . 2]" 1
934 1 38 LYS QE 1 45 LEU QD 4.260 . 4.260 3.002 2.476 3.797 . 0 0 "[ . 1 . 2]" 1
935 1 39 ILE H 1 44 HIS QB 4.470 . 4.470 3.774 3.337 4.035 . 0 0 "[ . 1 . 2]" 1
936 1 39 ILE H 1 45 LEU QD 4.770 . 4.770 3.803 3.484 4.089 . 0 0 "[ . 1 . 2]" 1
937 1 39 ILE HA 1 51 LEU QD 4.060 . 4.060 3.939 3.710 4.134 0.074 5 0 "[ . 1 . 2]" 1
938 1 39 ILE HB 1 44 HIS QB 4.040 . 4.040 2.681 2.162 3.126 . 0 0 "[ . 1 . 2]" 1
939 1 39 ILE HB 1 45 LEU QD 5.440 . 5.440 5.266 4.945 5.476 0.036 3 0 "[ . 1 . 2]" 1
940 1 39 ILE HB 1 51 LEU QD 4.730 . 4.730 4.331 4.129 4.599 . 0 0 "[ . 1 . 2]" 1
941 1 39 ILE MG 1 44 HIS QB 4.440 . 4.440 3.643 3.188 4.130 . 0 0 "[ . 1 . 2]" 1
942 1 39 ILE MD 1 44 HIS QB 3.590 . 3.590 2.915 2.521 3.215 . 0 0 "[ . 1 . 2]" 1
943 1 40 GLU H 1 40 GLU QB 3.250 . 3.250 2.435 2.327 2.969 . 0 0 "[ . 1 . 2]" 1
944 1 40 GLU H 1 40 GLU QG 3.890 . 3.890 2.701 2.242 2.977 . 0 0 "[ . 1 . 2]" 1
945 1 40 GLU HA 1 41 PRO QB 4.600 . 4.600 3.934 3.846 4.016 . 0 0 "[ . 1 . 2]" 1
946 1 40 GLU QB 1 41 PRO HA 3.510 . 3.510 2.272 2.069 2.519 . 0 0 "[ . 1 . 2]" 1
947 1 40 GLU QB 1 71 GLY H 3.810 . 3.810 2.989 2.459 3.966 0.156 19 0 "[ . 1 . 2]" 1
948 1 40 GLU QB 1 71 GLY HA3 4.660 . 4.660 3.145 2.349 4.534 . 0 0 "[ . 1 . 2]" 1
949 1 40 GLU QG 1 41 PRO HA 4.350 . 4.350 3.747 3.250 4.140 . 0 0 "[ . 1 . 2]" 1
950 1 41 PRO QB 1 42 CYS H 3.980 . 3.980 3.758 3.622 3.891 . 0 0 "[ . 1 . 2]" 1
951 1 41 PRO QD 1 42 CYS H 3.390 . 3.390 2.527 2.288 2.742 . 0 0 "[ . 1 . 2]" 1
952 1 41 PRO QD 1 68 GLU HB3 3.850 . 3.850 2.519 2.053 3.093 . 0 0 "[ . 1 . 2]" 1
953 1 41 PRO QD 1 70 LYS H 3.690 . 3.690 2.915 2.581 3.230 . 0 0 "[ . 1 . 2]" 1
954 1 41 PRO QD 1 70 LYS HA 4.920 . 4.920 4.333 4.125 4.568 . 0 0 "[ . 1 . 2]" 1
955 1 41 PRO QD 1 70 LYS QB 3.410 . 3.410 2.049 1.897 2.381 . 0 0 "[ . 1 . 2]" 1
956 1 41 PRO QD 1 70 LYS QG 4.360 . 4.360 3.040 1.953 4.195 . 0 0 "[ . 1 . 2]" 1
957 1 41 PRO QD 1 71 GLY H 4.480 . 4.480 3.745 3.481 3.983 . 0 0 "[ . 1 . 2]" 1
958 1 44 HIS H 1 44 HIS QB 3.120 . 3.120 2.458 2.376 2.530 . 0 0 "[ . 1 . 2]" 1
959 1 44 HIS H 1 45 LEU QD 5.120 . 5.120 4.072 3.787 4.364 . 0 0 "[ . 1 . 2]" 1
960 1 44 HIS QB 1 45 LEU H 3.570 . 3.570 2.769 2.588 3.006 . 0 0 "[ . 1 . 2]" 1
961 1 44 HIS QB 1 46 MET ME 3.780 . 3.780 2.418 2.153 2.662 . 0 0 "[ . 1 . 2]" 1
962 1 44 HIS QB 1 64 PHE QD 4.580 . 4.580 4.182 3.605 4.489 . 0 0 "[ . 1 . 2]" 1
963 1 44 HIS HE1 1 65 CYS QB 3.130 . 3.130 2.546 2.118 2.705 . 0 0 "[ . 1 . 2]" 1
964 1 45 LEU H 1 45 LEU QB 3.270 . 3.270 2.558 2.295 2.659 . 0 0 "[ . 1 . 2]" 1
965 1 45 LEU H 1 45 LEU QD 3.650 . 3.650 2.646 1.941 3.289 . 0 0 "[ . 1 . 2]" 1
966 1 45 LEU HA 1 45 LEU QD 3.110 . 3.110 2.271 2.188 2.423 . 0 0 "[ . 1 . 2]" 1
967 1 45 LEU QB 1 46 MET H 3.470 . 3.470 3.115 2.846 3.370 . 0 0 "[ . 1 . 2]" 1
968 1 45 LEU QB 1 75 ILE MG 4.770 . 4.770 3.926 3.520 4.241 . 0 0 "[ . 1 . 2]" 1
969 1 45 LEU QB 1 75 ILE MD 4.050 . 4.050 2.353 2.045 2.751 . 0 0 "[ . 1 . 2]" 1
970 1 45 LEU QD 1 46 MET H 4.190 . 4.190 3.892 3.700 4.118 . 0 0 "[ . 1 . 2]" 1
971 1 45 LEU QD 1 75 ILE MD 2.720 . 2.720 1.978 1.861 2.653 . 0 0 "[ . 1 . 2]" 1
972 1 46 MET QB 1 46 MET ME 3.600 . 3.600 1.942 1.901 1.965 . 0 0 "[ . 1 . 2]" 1
973 1 46 MET QB 1 47 CYS H 3.320 . 3.320 2.134 2.037 2.252 . 0 0 "[ . 1 . 2]" 1
974 1 46 MET QB 1 64 PHE QD 4.820 . 4.820 4.208 3.772 4.395 . 0 0 "[ . 1 . 2]" 1
975 1 46 MET QB 1 64 PHE QE 3.590 . 3.590 2.548 2.225 2.834 . 0 0 "[ . 1 . 2]" 1
976 1 46 MET ME 1 51 LEU QD 4.170 . 4.170 3.449 3.232 3.833 . 0 0 "[ . 1 . 2]" 1
977 1 47 CYS HA 1 51 LEU QD 5.440 . 5.440 5.472 5.429 5.580 0.140 5 0 "[ . 1 . 2]" 1
978 1 48 THR HA 1 51 LEU QD 3.630 . 3.630 3.002 2.593 3.218 . 0 0 "[ . 1 . 2]" 1
979 1 48 THR MG 1 51 LEU QD 4.840 . 4.840 2.987 2.527 3.470 . 0 0 "[ . 1 . 2]" 1
980 1 49 SER H 1 49 SER QB 3.190 . 3.190 2.479 2.213 2.613 . 0 0 "[ . 1 . 2]" 1
981 1 49 SER QB 1 50 CYS H 3.330 . 3.330 2.383 2.175 2.644 . 0 0 "[ . 1 . 2]" 1
982 1 49 SER QB 1 50 CYS HB2 4.900 . 4.900 4.596 4.395 4.767 . 0 0 "[ . 1 . 2]" 1
983 1 49 SER QB 1 51 LEU H 4.860 . 4.860 4.528 4.367 4.694 . 0 0 "[ . 1 . 2]" 1
984 1 51 LEU HA 1 51 LEU QD 3.010 . 3.010 2.127 2.069 2.304 . 0 0 "[ . 1 . 2]" 1
985 1 51 LEU HB2 1 51 LEU QD 3.020 . 3.020 2.169 2.100 2.479 . 0 0 "[ . 1 . 2]" 1
986 1 51 LEU QD 1 52 THR H 4.370 . 4.370 3.781 3.018 4.064 . 0 0 "[ . 1 . 2]" 1
987 1 51 LEU QD 1 52 THR HA 4.310 . 4.310 4.028 2.750 4.310 . 0 0 "[ . 1 . 2]" 1
988 1 51 LEU QD 1 54 TRP HD1 3.430 . 3.430 2.814 2.457 3.449 0.019 5 0 "[ . 1 . 2]" 1
989 1 51 LEU QD 1 54 TRP HE1 5.440 . 5.440 4.625 4.279 5.211 . 0 0 "[ . 1 . 2]" 1
990 1 51 LEU QD 1 55 GLN H 4.060 . 4.060 3.902 3.515 4.087 0.027 7 0 "[ . 1 . 2]" 1
991 1 51 LEU QD 1 55 GLN QG 3.640 . 3.640 2.622 1.948 2.830 . 0 0 "[ . 1 . 2]" 1
992 1 51 LEU QD 1 55 GLN QE 4.050 . 4.050 3.011 1.849 3.895 . 0 0 "[ . 1 . 2]" 1
993 1 51 LEU QD 1 63 PRO HD2 4.010 . 4.010 3.186 2.702 4.019 0.009 17 0 "[ . 1 . 2]" 1
994 1 51 LEU QD 1 63 PRO HD3 3.350 . 3.350 2.672 2.286 3.340 . 0 0 "[ . 1 . 2]" 1
995 1 51 LEU QD 1 69 ILE HG12 3.950 . 3.950 3.591 3.217 3.972 0.022 17 0 "[ . 1 . 2]" 1
996 1 51 LEU QD 1 69 ILE MD 3.350 . 3.350 2.280 1.977 2.747 . 0 0 "[ . 1 . 2]" 1
997 1 51 LEU QD 1 72 THR HA 4.890 . 4.890 4.531 4.258 4.901 0.011 18 0 "[ . 1 . 2]" 1
998 1 51 LEU QD 1 72 THR HB 4.370 . 4.370 3.689 3.413 4.313 . 0 0 "[ . 1 . 2]" 1
999 1 51 LEU QD 1 72 THR MG 3.190 . 3.190 2.066 1.904 2.505 . 0 0 "[ . 1 . 2]" 1
1000 1 52 THR HA 1 55 GLN QG 5.340 . 5.340 3.558 3.054 4.059 . 0 0 "[ . 1 . 2]" 1
1001 1 52 THR HB 1 56 GLU QB 5.180 . 5.180 5.236 5.032 5.290 0.110 5 0 "[ . 1 . 2]" 1
1002 1 52 THR MG 1 56 GLU QB 4.130 . 4.130 3.616 2.900 4.148 0.018 5 0 "[ . 1 . 2]" 1
1003 1 52 THR MG 1 56 GLU QG 3.800 . 3.800 2.368 2.076 3.775 . 0 0 "[ . 1 . 2]" 1
1004 1 53 SER HA 1 56 GLU QB 3.560 . 3.560 2.805 2.309 3.651 0.091 14 0 "[ . 1 . 2]" 1
1005 1 54 TRP H 1 55 GLN QG 4.730 . 4.730 4.482 4.199 4.735 0.005 7 0 "[ . 1 . 2]" 1
1006 1 54 TRP HA 1 57 SER QB 4.730 . 4.730 2.695 2.308 3.183 . 0 0 "[ . 1 . 2]" 1
1007 1 54 TRP HD1 1 55 GLN QG 3.650 . 3.650 3.126 2.563 3.491 . 0 0 "[ . 1 . 2]" 1
1008 1 54 TRP HE1 1 59 GLY QA 4.260 . 4.260 2.789 2.482 3.054 . 0 0 "[ . 1 . 2]" 1
1009 1 54 TRP HE1 1 66 ARG QG 5.340 . 5.340 3.621 3.012 4.015 . 0 0 "[ . 1 . 2]" 1
1010 1 54 TRP HZ2 1 59 GLY QA 4.810 . 4.810 3.643 3.027 4.775 . 0 0 "[ . 1 . 2]" 1
1011 1 54 TRP HZ2 1 66 ARG QG 4.260 . 4.260 2.387 2.099 2.656 . 0 0 "[ . 1 . 2]" 1
1012 1 54 TRP HZ2 1 66 ARG QD 4.090 . 4.090 2.905 2.327 3.722 . 0 0 "[ . 1 . 2]" 1
1013 1 55 GLN H 1 55 GLN QG 3.170 . 3.170 2.362 2.161 2.486 . 0 0 "[ . 1 . 2]" 1
1014 1 55 GLN HA 1 55 GLN QG 3.280 . 3.280 2.407 2.362 2.545 . 0 0 "[ . 1 . 2]" 1
1015 1 55 GLN HB3 1 59 GLY QA 5.340 . 5.340 4.339 3.317 5.349 0.009 2 0 "[ . 1 . 2]" 1
1016 1 55 GLN QG 1 69 ILE MD 4.190 . 4.190 2.944 2.445 3.466 . 0 0 "[ . 1 . 2]" 1
1017 1 55 GLN QE 1 69 ILE MG 3.400 . 3.400 2.857 2.206 3.340 . 0 0 "[ . 1 . 2]" 1
1018 1 55 GLN QE 1 69 ILE MD 3.570 . 3.570 3.103 1.836 3.603 0.033 2 0 "[ . 1 . 2]" 1
1019 1 56 GLU H 1 56 GLU QB 2.970 . 2.970 2.323 2.207 2.440 . 0 0 "[ . 1 . 2]" 1
1020 1 56 GLU H 1 56 GLU QG 3.700 . 3.700 2.475 2.260 2.656 . 0 0 "[ . 1 . 2]" 1
1021 1 56 GLU HA 1 56 GLU QG 3.330 . 3.330 2.562 2.259 3.339 0.009 14 0 "[ . 1 . 2]" 1
1022 1 56 GLU QB 1 57 SER H 3.640 . 3.640 3.163 2.837 3.642 0.002 14 0 "[ . 1 . 2]" 1
1023 1 56 GLU QG 1 57 SER H 5.200 . 5.200 4.248 2.614 4.497 . 0 0 "[ . 1 . 2]" 1
1024 1 57 SER H 1 57 SER QB 3.230 . 3.230 2.344 2.255 2.435 . 0 0 "[ . 1 . 2]" 1
1025 1 57 SER QB 1 58 GLU H 4.400 . 4.400 3.550 3.175 3.668 . 0 0 "[ . 1 . 2]" 1
1026 1 57 SER QB 1 58 GLU QB 5.000 . 5.000 4.567 3.641 4.852 . 0 0 "[ . 1 . 2]" 1
1027 1 58 GLU H 1 58 GLU QB 3.530 . 3.530 3.296 2.943 3.437 . 0 0 "[ . 1 . 2]" 1
1028 1 58 GLU H 1 58 GLU QG 4.070 . 4.070 3.280 2.748 4.164 0.094 11 0 "[ . 1 . 2]" 1
1029 1 58 GLU HA 1 58 GLU QG 3.240 . 3.240 2.509 2.277 3.018 . 0 0 "[ . 1 . 2]" 1
1030 1 58 GLU QG 1 59 GLY H 4.820 . 4.820 4.053 2.845 4.730 . 0 0 "[ . 1 . 2]" 1
1031 1 59 GLY QA 1 60 GLN H 3.050 . 3.050 2.229 2.061 2.872 . 0 0 "[ . 1 . 2]" 1
1032 1 59 GLY QA 1 61 GLY H 4.690 . 4.690 3.926 2.871 4.706 0.016 6 0 "[ . 1 . 2]" 1
1033 1 60 GLN H 1 60 GLN QB 3.050 . 3.050 2.454 2.218 2.812 . 0 0 "[ . 1 . 2]" 1
1034 1 60 GLN H 1 60 GLN QG 4.370 . 4.370 3.226 1.834 4.110 . 0 0 "[ . 1 . 2]" 1
1035 1 60 GLN H 1 66 ARG QD 5.340 . 5.340 4.930 3.753 5.419 0.079 9 0 "[ . 1 . 2]" 1
1036 1 60 GLN QB 1 61 GLY H 4.190 . 4.190 3.834 3.412 4.000 . 0 0 "[ . 1 . 2]" 1
1037 1 60 GLN QG 1 61 GLY H 4.400 . 4.400 3.832 3.096 4.434 0.034 17 0 "[ . 1 . 2]" 1
1038 1 61 GLY QA 1 66 ARG HA 3.970 . 3.970 2.273 2.025 2.416 . 0 0 "[ . 1 . 2]" 1
1039 1 61 GLY QA 1 67 CYS H 4.300 . 4.300 3.252 2.359 3.684 . 0 0 "[ . 1 . 2]" 1
1040 1 61 GLY QA 1 67 CYS QB 5.180 . 5.180 4.579 4.323 4.844 . 0 0 "[ . 1 . 2]" 1
1041 1 61 GLY QA 1 69 ILE H 4.350 . 4.350 3.344 2.921 4.000 . 0 0 "[ . 1 . 2]" 1
1042 1 61 GLY QA 1 69 ILE HG13 4.150 . 4.150 2.100 1.935 2.461 . 0 0 "[ . 1 . 2]" 1
1043 1 61 GLY QA 1 69 ILE MD 4.620 . 4.620 2.959 2.675 3.250 . 0 0 "[ . 1 . 2]" 1
1044 1 64 PHE H 1 64 PHE QB 3.220 . 3.220 2.439 2.337 2.498 . 0 0 "[ . 1 . 2]" 1
1045 1 64 PHE H 1 65 CYS QB 5.340 . 5.340 4.966 4.655 5.225 . 0 0 "[ . 1 . 2]" 1
1046 1 64 PHE QB 1 65 CYS H 3.250 . 3.250 1.940 1.776 2.126 . 0 0 "[ . 1 . 2]" 1
1047 1 66 ARG H 1 66 ARG QG 4.070 . 4.070 2.886 2.599 3.788 . 0 0 "[ . 1 . 2]" 1
1048 1 66 ARG H 1 66 ARG QD 5.340 . 5.340 4.515 2.351 4.909 . 0 0 "[ . 1 . 2]" 1
1049 1 66 ARG HA 1 66 ARG QD 4.360 . 4.360 3.884 2.543 4.155 . 0 0 "[ . 1 . 2]" 1
1050 1 67 CYS H 1 67 CYS QB 3.090 . 3.090 2.746 2.303 3.112 0.022 18 0 "[ . 1 . 2]" 1
1051 1 67 CYS QB 1 68 GLU H 3.160 . 3.160 2.305 1.774 3.105 . 0 0 "[ . 1 . 2]" 1
1052 1 67 CYS QB 1 68 GLU HB2 5.100 . 5.100 3.899 3.527 4.584 . 0 0 "[ . 1 . 2]" 1
1053 1 68 GLU H 1 68 GLU QG 3.800 . 3.800 2.313 1.799 2.903 . 0 0 "[ . 1 . 2]" 1
1054 1 68 GLU QG 1 69 ILE H 4.230 . 4.230 4.149 3.793 4.291 0.061 13 0 "[ . 1 . 2]" 1
1055 1 70 LYS H 1 70 LYS QB 3.310 . 3.310 2.473 2.280 2.704 . 0 0 "[ . 1 . 2]" 1
1056 1 70 LYS H 1 70 LYS QG 4.640 . 4.640 3.542 2.475 4.203 . 0 0 "[ . 1 . 2]" 1
1057 1 70 LYS HA 1 70 LYS QG 3.740 . 3.740 2.599 2.359 3.085 . 0 0 "[ . 1 . 2]" 1
1058 1 70 LYS HA 1 70 LYS QD 4.220 . 4.220 3.424 1.950 4.248 0.028 5 0 "[ . 1 . 2]" 1
1059 1 70 LYS QB 1 71 GLY H 3.610 . 3.610 2.531 2.251 3.169 . 0 0 "[ . 1 . 2]" 1
1060 1 73 GLU H 1 73 GLU QB 3.480 . 3.480 2.532 2.352 3.106 . 0 0 "[ . 1 . 2]" 1
1061 1 73 GLU H 1 73 GLU QG 4.730 . 4.730 3.420 2.259 4.120 . 0 0 "[ . 1 . 2]" 1
1062 1 73 GLU QB 1 74 PRO HD2 3.630 . 3.630 2.991 2.122 3.659 0.029 11 0 "[ . 1 . 2]" 1
1063 1 78 ASP H 1 78 ASP QB 3.660 . 3.660 2.551 2.193 3.143 . 0 0 "[ . 1 . 2]" 1
1064 1 78 ASP H 1 79 PRO QD 4.750 . 4.750 4.222 3.802 4.409 . 0 0 "[ . 1 . 2]" 1
1065 1 78 ASP HA 1 79 PRO QD 2.980 . 2.980 2.007 1.832 2.300 . 0 0 "[ . 1 . 2]" 1
1066 1 78 ASP QB 1 79 PRO HA 4.820 . 4.820 4.747 4.492 4.924 0.104 14 0 "[ . 1 . 2]" 1
1067 1 78 ASP QB 1 79 PRO QD 3.670 . 3.670 2.967 1.950 3.613 . 0 0 "[ . 1 . 2]" 1
1068 1 79 PRO QB 1 80 PHE H 4.010 . 4.010 3.495 1.924 4.000 . 0 0 "[ . 1 . 2]" 1
1069 1 79 PRO QB 1 82 PRO HB3 3.580 . 3.580 2.603 1.940 3.626 0.046 16 0 "[ . 1 . 2]" 1
1070 1 79 PRO QB 1 82 PRO QG 4.060 . 4.060 2.530 1.966 4.068 0.008 16 0 "[ . 1 . 2]" 1
1071 1 79 PRO QD 1 80 PHE H 4.650 . 4.650 3.925 2.351 4.646 . 0 0 "[ . 1 . 2]" 1
1072 1 80 PHE H 1 80 PHE QB 3.260 . 3.260 2.549 2.222 3.003 . 0 0 "[ . 1 . 2]" 1
1073 1 81 ASP QB 1 82 PRO QD 4.460 . 4.460 3.707 2.893 3.895 . 0 0 "[ . 1 . 2]" 1
1074 1 82 PRO QG 1 83 ARG H 4.280 . 4.280 3.647 2.070 4.328 0.048 13 0 "[ . 1 . 2]" 1
1075 1 82 PRO QD 1 83 ARG H 4.930 . 4.930 3.463 2.248 4.935 0.005 20 0 "[ . 1 . 2]" 1
1076 1 83 ARG H 1 83 ARG QB 3.470 . 3.470 2.868 2.324 3.417 . 0 0 "[ . 1 . 2]" 1
1077 1 83 ARG H 1 83 ARG QG 4.590 . 4.590 2.916 1.954 4.374 . 0 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 8
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 90.444
_Distance_constraint_stats_list.Viol_max 0.347
_Distance_constraint_stats_list.Viol_rms 0.0775
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0283
_Distance_constraint_stats_list.Viol_average_violations_only 0.2261
_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 27 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 HIS 4.522 0.347 13 0 "[ . 1 . 2]"
1 47 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 ZN 0.000 0.000 . 0 "[ . 1 . 2]"
3 1 ZN 4.522 0.347 13 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 27 CYS SG 2 1 ZN ZN 2.400 . 2.400 1.944 1.899 2.018 . 0 0 "[ . 1 . 2]" 2
2 1 30 CYS SG 2 1 ZN ZN 2.400 . 2.400 1.872 1.859 1.884 . 0 0 "[ . 1 . 2]" 2
3 1 47 CYS SG 2 1 ZN ZN 2.400 . 2.400 1.851 1.835 1.867 . 0 0 "[ . 1 . 2]" 2
4 1 50 CYS SG 2 1 ZN ZN 2.400 . 2.400 1.831 1.808 1.848 . 0 0 "[ . 1 . 2]" 2
5 1 42 CYS SG 3 1 ZN ZN 2.400 . 2.400 1.776 1.754 1.799 . 0 0 "[ . 1 . 2]" 2
6 1 62 CYS SG 3 1 ZN ZN 2.400 . 2.400 1.806 1.789 1.824 . 0 0 "[ . 1 . 2]" 2
7 1 44 HIS ND1 3 1 ZN ZN 2.400 . 2.400 2.626 2.552 2.747 0.347 13 0 "[ . 1 . 2]" 2
8 1 65 CYS SG 3 1 ZN ZN 2.400 . 2.400 1.784 1.767 1.832 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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