NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
434093 |
2jvw   |
15491 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jvw
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 1411
_Distance_constraint_stats_list.Viol_count 272
_Distance_constraint_stats_list.Viol_total 210.350
_Distance_constraint_stats_list.Viol_max 0.317
_Distance_constraint_stats_list.Viol_rms 0.0054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0387
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.013 0.013 5 0 "[ . 1 . 2]"
1 4 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLN 0.001 0.001 10 0 "[ . 1 . 2]"
1 8 GLN 0.067 0.055 19 0 "[ . 1 . 2]"
1 9 ASN 0.313 0.169 5 0 "[ . 1 . 2]"
1 10 ASN 0.264 0.169 5 0 "[ . 1 . 2]"
1 11 PRO 0.243 0.104 7 0 "[ . 1 . 2]"
1 12 LEU 1.523 0.317 3 0 "[ . 1 . 2]"
1 13 HIS 0.380 0.140 10 0 "[ . 1 . 2]"
1 14 GLY 0.169 0.107 18 0 "[ . 1 . 2]"
1 15 ILE 0.480 0.107 18 0 "[ . 1 . 2]"
1 16 THR 0.061 0.037 4 0 "[ . 1 . 2]"
1 17 LEU 0.622 0.058 13 0 "[ . 1 . 2]"
1 18 GLN 0.642 0.058 13 0 "[ . 1 . 2]"
1 19 LYS 0.556 0.145 11 0 "[ . 1 . 2]"
1 20 LEU 0.085 0.029 3 0 "[ . 1 . 2]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.029 0.029 15 0 "[ . 1 . 2]"
1 23 GLU 0.187 0.050 17 0 "[ . 1 . 2]"
1 24 LEU 0.260 0.040 12 0 "[ . 1 . 2]"
1 25 VAL 0.082 0.043 6 0 "[ . 1 . 2]"
1 26 GLU 0.220 0.091 4 0 "[ . 1 . 2]"
1 27 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 TYR 0.513 0.132 11 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TRP 0.247 0.047 17 0 "[ . 1 . 2]"
1 31 GLU 0.119 0.099 16 0 "[ . 1 . 2]"
1 32 GLU 0.631 0.132 11 0 "[ . 1 . 2]"
1 33 LEU 0.624 0.074 2 0 "[ . 1 . 2]"
1 34 SER 0.116 0.039 7 0 "[ . 1 . 2]"
1 35 TYR 0.305 0.116 2 0 "[ . 1 . 2]"
1 36 MET 0.700 0.116 2 0 "[ . 1 . 2]"
1 37 VAL 0.444 0.054 18 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.098 0.040 7 0 "[ . 1 . 2]"
1 40 ASN 0.239 0.079 13 0 "[ . 1 . 2]"
1 41 CYS 0.078 0.040 7 0 "[ . 1 . 2]"
1 42 PHE 0.252 0.051 4 0 "[ . 1 . 2]"
1 43 LYS 0.243 0.079 13 0 "[ . 1 . 2]"
1 44 LYS 0.736 0.197 6 0 "[ . 1 . 2]"
1 45 ASP 0.513 0.147 4 0 "[ . 1 . 2]"
1 46 PRO 0.131 0.108 11 0 "[ . 1 . 2]"
1 47 SER 0.328 0.104 5 0 "[ . 1 . 2]"
1 48 ILE 0.142 0.036 12 0 "[ . 1 . 2]"
1 49 LYS 0.399 0.104 5 0 "[ . 1 . 2]"
1 50 SER 0.015 0.015 18 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.047 0.026 15 0 "[ . 1 . 2]"
1 53 LYS 0.015 0.015 18 0 "[ . 1 . 2]"
1 54 PHE 0.020 0.020 17 0 "[ . 1 . 2]"
1 55 LEU 0.020 0.020 2 0 "[ . 1 . 2]"
1 56 ARG 0.024 0.024 19 0 "[ . 1 . 2]"
1 57 LYS 0.127 0.080 9 0 "[ . 1 . 2]"
1 58 THR 0.157 0.044 6 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 TRP 0.040 0.040 6 0 "[ . 1 . 2]"
1 61 ALA 0.107 0.044 6 0 "[ . 1 . 2]"
1 62 ARG 0.138 0.045 13 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.344 0.069 11 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.080 0.069 11 0 "[ . 1 . 2]"
1 68 ILE 0.146 0.029 20 0 "[ . 1 . 2]"
1 69 TYR 0.157 0.050 17 0 "[ . 1 . 2]"
1 70 LEU 0.057 0.023 1 0 "[ . 1 . 2]"
1 71 LYS 0.101 0.078 6 0 "[ . 1 . 2]"
1 72 LEU 0.233 0.118 20 0 "[ . 1 . 2]"
1 73 GLN 0.336 0.134 5 0 "[ . 1 . 2]"
1 74 ARG 0.732 0.154 5 0 "[ . 1 . 2]"
1 75 HIS 0.403 0.154 5 0 "[ . 1 . 2]"
1 76 LYS 0.134 0.134 5 0 "[ . 1 . 2]"
1 77 GLU 0.014 0.014 7 0 "[ . 1 . 2]"
1 78 ARG 0.423 0.133 5 0 "[ . 1 . 2]"
1 79 ASN 0.487 0.133 5 0 "[ . 1 . 2]"
1 80 GLN 0.349 0.086 3 0 "[ . 1 . 2]"
1 81 LEU 0.563 0.101 13 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 30 TRP HZ2 1 47 SER HA 4.270 . 4.700 3.424 2.587 4.574 . 0 0 "[ . 1 . 2]" 1
2 1 30 TRP HZ2 1 48 ILE HG13 4.660 . 5.130 4.458 3.797 5.018 . 0 0 "[ . 1 . 2]" 1
3 1 58 THR MG 1 60 TRP HZ2 5.070 . 5.580 3.350 2.926 4.204 . 0 0 "[ . 1 . 2]" 1
4 1 30 TRP HZ3 1 42 PHE QE 4.740 . 5.210 2.889 2.237 3.677 . 0 0 "[ . 1 . 2]" 1
5 1 30 TRP HZ3 1 42 PHE QD 4.770 . 5.250 2.260 1.783 2.989 0.017 19 0 "[ . 1 . 2]" 1
6 1 21 LEU MD1 1 30 TRP HZ3 5.060 . 5.570 3.274 2.891 3.788 . 0 0 "[ . 1 . 2]" 1
7 1 21 LEU MD2 1 30 TRP HE3 5.500 . 6.050 5.130 4.713 5.651 . 0 0 "[ . 1 . 2]" 1
8 1 24 LEU HB3 1 28 TYR QD 5.290 . 5.820 3.136 2.674 4.034 . 0 0 "[ . 1 . 2]" 1
9 1 24 LEU MD1 1 69 TYR QD 4.150 . 4.570 3.671 3.141 4.168 . 0 0 "[ . 1 . 2]" 1
10 1 35 TYR QD 1 36 MET HA 5.290 . 5.820 4.201 3.494 5.936 0.116 2 0 "[ . 1 . 2]" 1
11 1 23 GLU HB2 1 69 TYR QE 4.300 . 4.730 2.728 1.882 4.184 . 0 0 "[ . 1 . 2]" 1
12 1 28 TYR QE 1 68 ILE HB 5.500 . 6.050 5.405 4.518 6.079 0.029 20 0 "[ . 1 . 2]" 1
13 1 28 TYR QE 1 72 LEU MD2 4.240 . 4.660 2.534 1.782 3.996 0.018 18 0 "[ . 1 . 2]" 1
14 1 30 TRP HE3 1 42 PHE HB2 4.990 . 5.490 4.129 3.549 4.774 . 0 0 "[ . 1 . 2]" 1
15 1 30 TRP HE3 1 42 PHE HB3 4.990 . 5.490 2.489 1.825 3.144 . 0 0 "[ . 1 . 2]" 1
16 1 34 SER HA 1 42 PHE QD 5.020 . 5.520 2.196 1.909 2.683 . 0 0 "[ . 1 . 2]" 1
17 1 21 LEU MD1 1 42 PHE QD 5.500 . 6.050 4.152 3.335 4.711 . 0 0 "[ . 1 . 2]" 1
18 1 39 ILE MD 1 54 PHE QD 4.990 . 5.490 2.681 2.056 3.239 . 0 0 "[ . 1 . 2]" 1
19 1 54 PHE QE 1 55 LEU MD2 4.910 . 5.400 3.838 3.117 4.627 . 0 0 "[ . 1 . 2]" 1
20 1 64 ARG HA 1 67 ASN HB3 4.200 . 4.620 2.780 2.273 4.631 0.011 15 0 "[ . 1 . 2]" 1
21 1 73 GLN H 1 73 GLN HG3 4.260 . 4.690 3.692 3.479 3.903 . 0 0 "[ . 1 . 2]" 1
22 1 37 VAL HB 1 42 PHE QE 4.460 . 4.910 2.177 1.758 2.744 0.042 15 0 "[ . 1 . 2]" 1
23 1 37 VAL HB 1 42 PHE QD 4.480 . 4.930 3.270 2.468 4.156 . 0 0 "[ . 1 . 2]" 1
24 1 40 ASN HA 1 44 LYS H 5.500 . 6.050 4.245 3.310 5.766 . 0 0 "[ . 1 . 2]" 1
25 1 80 GLN QG 1 81 LEU HB2 5.170 . 5.690 4.722 3.232 5.776 0.086 3 0 "[ . 1 . 2]" 1
26 1 80 GLN QG 1 81 LEU HG 5.460 . 6.010 4.622 2.947 6.039 0.029 6 0 "[ . 1 . 2]" 1
27 1 80 GLN QG 1 81 LEU HB3 5.170 . 5.690 5.101 3.069 5.752 0.062 16 0 "[ . 1 . 2]" 1
28 1 37 VAL HA 1 64 ARG QD 4.380 . 4.820 4.144 2.909 4.865 0.045 8 0 "[ . 1 . 2]" 1
29 1 36 MET ME 1 68 ILE MG 3.330 . 3.660 2.358 1.901 3.073 . 0 0 "[ . 1 . 2]" 1
30 1 36 MET ME 1 68 ILE MD 3.700 . 4.070 2.222 1.798 4.033 0.002 11 0 "[ . 1 . 2]" 1
31 1 33 LEU MD2 1 36 MET ME 3.800 . 4.180 2.383 1.906 2.971 . 0 0 "[ . 1 . 2]" 1
32 1 32 GLU HG3 1 36 MET ME 4.700 . 5.170 4.260 2.079 5.134 . 0 0 "[ . 1 . 2]" 1
33 1 32 GLU HB2 1 36 MET ME 4.240 . 4.660 3.423 2.767 4.442 . 0 0 "[ . 1 . 2]" 1
34 1 36 MET HB2 1 36 MET ME 4.470 . 4.920 2.275 2.027 3.975 . 0 0 "[ . 1 . 2]" 1
35 1 32 GLU HB3 1 36 MET ME 4.240 . 4.660 2.566 1.986 4.072 . 0 0 "[ . 1 . 2]" 1
36 1 28 TYR HB2 1 36 MET ME 5.030 . 5.530 3.981 3.368 5.053 . 0 0 "[ . 1 . 2]" 1
37 1 32 GLU HA 1 36 MET ME 4.260 . 4.690 3.842 3.449 4.111 . 0 0 "[ . 1 . 2]" 1
38 1 28 TYR QE 1 36 MET ME 3.930 . 4.320 3.708 3.216 4.366 0.046 6 0 "[ . 1 . 2]" 1
39 1 28 TYR QD 1 36 MET ME 4.180 . 4.600 3.174 2.696 4.022 . 0 0 "[ . 1 . 2]" 1
40 1 33 LEU MD1 1 36 MET ME 4.640 . 5.100 4.634 4.230 5.174 0.074 2 0 "[ . 1 . 2]" 1
41 1 36 MET HB3 1 37 VAL MG2 3.710 . 4.080 3.300 2.836 3.741 . 0 0 "[ . 1 . 2]" 1
42 1 37 VAL MG2 1 42 PHE QE 3.990 . 4.390 2.970 2.210 3.467 . 0 0 "[ . 1 . 2]" 1
43 1 42 PHE HZ 1 65 VAL MG1 4.060 . 4.470 3.802 3.186 4.118 . 0 0 "[ . 1 . 2]" 1
44 1 65 VAL H 1 65 VAL MG1 3.910 . 4.300 3.782 3.768 3.790 . 0 0 "[ . 1 . 2]" 1
45 1 16 THR H 1 19 LYS HB3 4.620 . 5.080 3.007 2.356 3.824 . 0 0 "[ . 1 . 2]" 1
46 1 19 LYS HA 1 19 LYS HD2 4.340 . 4.770 3.087 2.017 4.700 . 0 0 "[ . 1 . 2]" 1
47 1 18 GLN HA 1 18 GLN HG2 4.160 . 4.580 3.052 2.463 3.306 . 0 0 "[ . 1 . 2]" 1
48 1 25 VAL HA 1 25 VAL MG2 3.550 . 3.900 2.397 2.365 2.430 . 0 0 "[ . 1 . 2]" 1
49 1 31 GLU HA 1 31 GLU HG2 3.790 . 4.170 2.913 2.395 3.743 . 0 0 "[ . 1 . 2]" 1
50 1 32 GLU HA 1 32 GLU HG2 3.850 . 4.230 3.224 2.425 3.789 . 0 0 "[ . 1 . 2]" 1
51 1 36 MET HA 1 36 MET HG2 3.860 . 4.250 2.752 2.473 3.731 . 0 0 "[ . 1 . 2]" 1
52 1 37 VAL HA 1 37 VAL MG2 3.550 . 3.900 2.467 2.424 2.513 . 0 0 "[ . 1 . 2]" 1
53 1 43 LYS HA 1 43 LYS HG2 4.240 . 4.660 2.739 2.375 3.740 . 0 0 "[ . 1 . 2]" 1
54 1 49 LYS HA 1 49 LYS HG2 3.990 . 4.390 2.991 2.360 3.854 . 0 0 "[ . 1 . 2]" 1
55 1 64 ARG HA 1 64 ARG HG2 4.160 . 4.580 2.811 2.356 3.665 . 0 0 "[ . 1 . 2]" 1
56 1 66 GLU HA 1 66 GLU HG2 4.180 . 4.600 2.794 2.459 3.763 . 0 0 "[ . 1 . 2]" 1
57 1 73 GLN HA 1 73 GLN HG2 3.880 . 4.270 3.238 2.752 3.726 . 0 0 "[ . 1 . 2]" 1
58 1 74 ARG HA 1 74 ARG HG2 4.190 . 4.610 3.536 2.301 4.265 . 0 0 "[ . 1 . 2]" 1
59 1 76 LYS HA 1 76 LYS HG2 3.910 . 4.300 3.366 2.908 4.226 . 0 0 "[ . 1 . 2]" 1
60 1 77 GLU HA 1 77 GLU HG2 3.820 . 4.200 3.411 2.606 3.816 . 0 0 "[ . 1 . 2]" 1
61 1 8 GLN HA 1 8 GLN QG 3.800 . 4.180 2.745 2.357 3.513 . 0 0 "[ . 1 . 2]" 1
62 1 18 GLN HA 1 18 GLN HG3 4.160 . 4.580 2.789 2.560 3.662 . 0 0 "[ . 1 . 2]" 1
63 1 31 GLU HA 1 31 GLU HG3 3.790 . 4.170 3.278 2.499 3.797 . 0 0 "[ . 1 . 2]" 1
64 1 32 GLU HA 1 32 GLU HG3 3.850 . 4.230 3.296 2.402 3.787 . 0 0 "[ . 1 . 2]" 1
65 1 36 MET HA 1 36 MET HG3 3.860 . 4.250 2.867 2.368 3.159 . 0 0 "[ . 1 . 2]" 1
66 1 43 LYS HA 1 43 LYS HG3 4.240 . 4.660 3.370 2.387 3.808 . 0 0 "[ . 1 . 2]" 1
67 1 56 ARG HA 1 56 ARG HG3 3.930 . 4.320 3.352 2.788 3.835 . 0 0 "[ . 1 . 2]" 1
68 1 66 GLU HA 1 66 GLU HG3 4.180 . 4.600 3.340 3.042 3.878 . 0 0 "[ . 1 . 2]" 1
69 1 73 GLN HA 1 73 GLN HG3 3.880 . 4.270 3.605 2.376 3.807 . 0 0 "[ . 1 . 2]" 1
70 1 76 LYS HA 1 76 LYS QD 4.780 . 5.260 3.448 2.025 4.528 . 0 0 "[ . 1 . 2]" 1
71 1 76 LYS HA 1 76 LYS HG3 3.910 . 4.300 2.972 2.533 3.813 . 0 0 "[ . 1 . 2]" 1
72 1 77 GLU HA 1 77 GLU HG3 3.820 . 4.200 3.391 2.468 3.829 . 0 0 "[ . 1 . 2]" 1
73 1 20 LEU HA 1 20 LEU HG 3.820 . 4.200 2.534 2.506 2.567 . 0 0 "[ . 1 . 2]" 1
74 1 21 LEU HA 1 21 LEU HG 3.570 . 3.930 3.149 3.122 3.183 . 0 0 "[ . 1 . 2]" 1
75 1 24 LEU HA 1 24 LEU HG 3.830 . 4.210 3.161 3.080 3.246 . 0 0 "[ . 1 . 2]" 1
76 1 33 LEU HA 1 33 LEU HG 3.800 . 4.180 3.146 3.049 3.253 . 0 0 "[ . 1 . 2]" 1
77 1 33 LEU HA 1 36 MET ME 3.830 . 4.210 2.456 2.080 3.617 . 0 0 "[ . 1 . 2]" 1
78 1 52 LEU HA 1 52 LEU HG 3.930 . 4.320 3.109 3.050 3.219 . 0 0 "[ . 1 . 2]" 1
79 1 70 LEU HA 1 70 LEU HG 3.660 . 4.030 3.163 3.104 3.212 . 0 0 "[ . 1 . 2]" 1
80 1 72 LEU HA 1 72 LEU HG 3.760 . 4.140 3.176 3.050 3.286 . 0 0 "[ . 1 . 2]" 1
81 1 81 LEU HA 1 81 LEU HG 3.810 . 4.190 3.157 2.455 3.743 . 0 0 "[ . 1 . 2]" 1
82 1 3 LEU HA 1 3 LEU MD1 4.460 . 4.910 3.361 1.958 4.142 . 0 0 "[ . 1 . 2]" 1
83 1 4 ILE HA 1 4 ILE MD 4.360 . 4.800 3.558 2.039 4.211 . 0 0 "[ . 1 . 2]" 1
84 1 12 LEU HA 1 12 LEU MD1 4.030 . 4.430 3.520 1.949 4.149 . 0 0 "[ . 1 . 2]" 1
85 1 15 ILE HA 1 15 ILE MG 3.530 . 3.880 2.468 2.415 2.527 . 0 0 "[ . 1 . 2]" 1
86 1 20 LEU HA 1 20 LEU MD1 4.220 . 4.640 3.665 3.601 3.721 . 0 0 "[ . 1 . 2]" 1
87 1 21 LEU HA 1 21 LEU MD1 3.230 . 3.550 2.089 2.035 2.134 . 0 0 "[ . 1 . 2]" 1
88 1 70 LEU HA 1 70 LEU MD2 3.490 . 3.840 2.033 1.968 2.088 . 0 0 "[ . 1 . 2]" 1
89 1 24 LEU HA 1 24 LEU MD1 3.960 . 4.360 3.834 3.809 3.856 . 0 0 "[ . 1 . 2]" 1
90 1 35 TYR HA 1 35 TYR QD 3.870 . 4.260 2.612 2.024 3.145 . 0 0 "[ . 1 . 2]" 1
91 1 39 ILE HA 1 39 ILE MD 4.570 . 5.030 4.208 4.195 4.218 . 0 0 "[ . 1 . 2]" 1
92 1 42 PHE HA 1 42 PHE QD 3.780 . 4.160 2.215 1.902 2.614 . 0 0 "[ . 1 . 2]" 1
93 1 54 PHE HA 1 54 PHE QD 3.910 . 4.300 2.781 2.610 2.913 . 0 0 "[ . 1 . 2]" 1
94 1 55 LEU HA 1 55 LEU MD1 4.350 . 4.790 3.866 3.848 3.896 . 0 0 "[ . 1 . 2]" 1
95 1 60 TRP HA 1 60 TRP HD1 4.490 . 4.940 4.426 4.267 4.573 . 0 0 "[ . 1 . 2]" 1
96 1 68 ILE HA 1 68 ILE MD 4.400 . 4.840 3.840 3.779 3.893 . 0 0 "[ . 1 . 2]" 1
97 1 70 LEU HA 1 70 LEU MD1 3.960 . 4.360 3.872 3.854 3.893 . 0 0 "[ . 1 . 2]" 1
98 1 3 LEU HA 1 3 LEU MD2 4.460 . 4.910 2.923 1.982 4.050 . 0 0 "[ . 1 . 2]" 1
99 1 20 LEU HA 1 20 LEU MD2 4.280 . 4.710 3.266 3.204 3.374 . 0 0 "[ . 1 . 2]" 1
100 1 21 LEU HA 1 21 LEU MD2 4.130 . 4.540 3.900 3.877 3.916 . 0 0 "[ . 1 . 2]" 1
101 1 28 TYR HA 1 28 TYR QD 3.700 . 4.070 2.898 2.451 3.171 . 0 0 "[ . 1 . 2]" 1
102 1 34 SER HB3 1 42 PHE HB3 4.910 . 5.400 3.887 2.773 5.426 0.026 13 0 "[ . 1 . 2]" 1
103 1 69 TYR HA 1 69 TYR QD 4.010 . 4.410 2.622 2.289 2.850 . 0 0 "[ . 1 . 2]" 1
104 1 72 LEU HA 1 72 LEU MD2 4.110 . 4.520 3.909 3.878 3.988 . 0 0 "[ . 1 . 2]" 1
105 1 56 ARG HA 1 56 ARG HD2 5.500 . 6.050 4.452 2.058 5.552 . 0 0 "[ . 1 . 2]" 1
106 1 56 ARG HA 1 56 ARG HD3 5.500 . 6.050 4.491 2.038 5.551 . 0 0 "[ . 1 . 2]" 1
107 1 57 LYS HA 1 57 LYS QD 4.650 . 5.120 4.273 3.960 4.562 . 0 0 "[ . 1 . 2]" 1
108 1 64 ARG HA 1 64 ARG QD 4.000 . 4.400 3.419 1.987 4.229 . 0 0 "[ . 1 . 2]" 1
109 1 74 ARG HA 1 74 ARG QD 4.130 . 4.540 3.812 2.044 4.560 0.020 17 0 "[ . 1 . 2]" 1
110 1 78 ARG HA 1 78 ARG QD 4.600 . 5.060 3.470 1.845 4.488 . 0 0 "[ . 1 . 2]" 1
111 1 15 ILE HA 1 15 ILE HG12 3.910 . 4.300 2.472 2.353 2.560 . 0 0 "[ . 1 . 2]" 1
112 1 68 ILE HA 1 68 ILE HG12 3.930 . 4.320 2.537 2.430 2.643 . 0 0 "[ . 1 . 2]" 1
113 1 15 ILE HA 1 15 ILE HG13 3.610 . 3.970 3.023 2.949 3.074 . 0 0 "[ . 1 . 2]" 1
114 1 68 ILE HA 1 68 ILE HG13 3.930 . 4.320 3.002 2.907 3.085 . 0 0 "[ . 1 . 2]" 1
115 1 37 VAL HA 1 37 VAL MG1 3.510 . 3.860 2.366 2.335 2.403 . 0 0 "[ . 1 . 2]" 1
116 1 65 VAL HA 1 65 VAL MG1 3.480 . 3.830 2.442 2.411 2.481 . 0 0 "[ . 1 . 2]" 1
117 1 30 TRP HA 1 30 TRP HE3 3.900 . 4.290 2.702 2.429 3.134 . 0 0 "[ . 1 . 2]" 1
118 1 19 LYS H 1 19 LYS HB2 3.850 . 4.230 2.535 2.366 2.798 . 0 0 "[ . 1 . 2]" 1
119 1 23 GLU H 1 23 GLU HB2 3.790 . 4.170 2.476 2.348 2.697 . 0 0 "[ . 1 . 2]" 1
120 1 38 ASN H 1 38 ASN HB2 3.930 . 4.320 2.633 2.416 3.683 . 0 0 "[ . 1 . 2]" 1
121 1 53 LYS H 1 53 LYS QB 3.340 . 3.670 2.329 2.211 2.539 . 0 0 "[ . 1 . 2]" 1
122 1 79 ASN H 1 79 ASN HB2 3.780 . 4.160 2.933 2.456 4.075 . 0 0 "[ . 1 . 2]" 1
123 1 80 GLN H 1 80 GLN HB2 3.810 . 4.190 3.321 2.497 4.027 . 0 0 "[ . 1 . 2]" 1
124 1 69 TYR HA 1 72 LEU HB3 4.100 . 4.510 2.650 2.259 3.090 . 0 0 "[ . 1 . 2]" 1
125 1 72 LEU H 1 72 LEU HG 4.530 . 4.980 4.471 4.363 4.515 . 0 0 "[ . 1 . 2]" 1
126 1 70 LEU HB2 1 70 LEU HG 2.620 . 2.880 2.459 2.441 2.474 . 0 0 "[ . 1 . 2]" 1
127 1 12 LEU HA 1 12 LEU HG 4.130 . 4.540 3.628 3.169 3.800 . 0 0 "[ . 1 . 2]" 1
128 1 23 GLU HA 1 23 GLU HG2 4.120 . 4.530 2.820 2.368 3.264 . 0 0 "[ . 1 . 2]" 1
129 1 56 ARG HA 1 56 ARG HG2 3.930 . 4.320 2.998 2.447 3.801 . 0 0 "[ . 1 . 2]" 1
130 1 70 LEU HA 1 73 GLN HG2 4.490 . 4.940 3.021 1.865 4.046 . 0 0 "[ . 1 . 2]" 1
131 1 80 GLN HA 1 80 GLN QG 3.760 . 4.140 2.834 2.388 3.506 . 0 0 "[ . 1 . 2]" 1
132 1 23 GLU HA 1 23 GLU HG3 4.120 . 4.530 3.521 3.006 3.847 . 0 0 "[ . 1 . 2]" 1
133 1 49 LYS HA 1 49 LYS HG3 3.990 . 4.390 3.188 2.410 3.792 . 0 0 "[ . 1 . 2]" 1
134 1 64 ARG HA 1 64 ARG HG3 4.160 . 4.580 3.329 2.436 3.800 . 0 0 "[ . 1 . 2]" 1
135 1 70 LEU HA 1 73 GLN HG3 4.490 . 4.940 3.595 2.804 4.956 0.016 5 0 "[ . 1 . 2]" 1
136 1 74 ARG HA 1 74 ARG HG3 4.190 . 4.610 3.668 2.575 3.857 . 0 0 "[ . 1 . 2]" 1
137 1 44 LYS H 1 44 LYS HG2 4.850 . 5.330 4.222 2.061 4.749 . 0 0 "[ . 1 . 2]" 1
138 1 56 ARG H 1 56 ARG HG2 4.190 . 4.610 2.957 2.017 3.883 . 0 0 "[ . 1 . 2]" 1
139 1 76 LYS H 1 76 LYS HG2 4.610 . 5.070 3.987 2.107 4.656 . 0 0 "[ . 1 . 2]" 1
140 1 78 ARG H 1 78 ARG HG2 4.570 . 5.030 3.485 2.010 4.660 . 0 0 "[ . 1 . 2]" 1
141 1 7 GLN H 1 7 GLN QG 4.250 . 4.680 3.069 1.840 4.223 . 0 0 "[ . 1 . 2]" 1
142 1 18 GLN H 1 18 GLN HG3 4.800 . 5.280 4.501 4.448 4.634 . 0 0 "[ . 1 . 2]" 1
143 1 23 GLU H 1 23 GLU HG3 3.820 . 4.200 3.196 2.212 3.766 . 0 0 "[ . 1 . 2]" 1
144 1 44 LYS H 1 44 LYS HG3 4.850 . 5.330 4.405 2.900 4.850 . 0 0 "[ . 1 . 2]" 1
145 1 76 LYS H 1 76 LYS HG3 4.610 . 5.070 4.135 2.138 4.696 . 0 0 "[ . 1 . 2]" 1
146 1 78 ARG H 1 78 ARG HG3 4.570 . 5.030 3.492 2.217 4.501 . 0 0 "[ . 1 . 2]" 1
147 1 64 ARG HE 1 64 ARG HG3 4.160 . 4.580 3.106 2.255 3.981 . 0 0 "[ . 1 . 2]" 1
148 1 52 LEU HB3 1 52 LEU MD1 3.470 . 3.820 2.382 2.359 2.408 . 0 0 "[ . 1 . 2]" 1
149 1 12 LEU H 1 12 LEU HB3 3.820 . 4.200 3.409 2.654 3.768 . 0 0 "[ . 1 . 2]" 1
150 1 32 GLU H 1 32 GLU HB3 3.730 . 4.100 3.519 2.581 3.649 . 0 0 "[ . 1 . 2]" 1
151 1 38 ASN H 1 38 ASN HB3 3.930 . 4.320 3.140 2.531 4.129 . 0 0 "[ . 1 . 2]" 1
152 1 50 SER H 1 50 SER HB3 3.730 . 4.100 2.912 2.423 3.625 . 0 0 "[ . 1 . 2]" 1
153 1 63 GLU H 1 63 GLU QB 3.590 . 3.950 2.494 2.387 2.583 . 0 0 "[ . 1 . 2]" 1
154 1 64 ARG H 1 64 ARG HB3 4.050 . 4.460 3.612 3.577 3.630 . 0 0 "[ . 1 . 2]" 1
155 1 67 ASN H 1 67 ASN HB3 3.580 . 3.940 2.680 2.525 3.586 . 0 0 "[ . 1 . 2]" 1
156 1 33 LEU HB2 1 33 LEU MD1 3.450 . 3.790 2.354 2.330 2.399 . 0 0 "[ . 1 . 2]" 1
157 1 52 LEU HB2 1 52 LEU MD1 3.470 . 3.820 2.357 2.331 2.392 . 0 0 "[ . 1 . 2]" 1
158 1 17 LEU MD2 1 52 LEU MD2 3.050 . 3.360 2.497 2.095 3.079 . 0 0 "[ . 1 . 2]" 1
159 1 12 LEU HB2 1 12 LEU MD1 3.340 . 3.670 2.528 2.205 3.218 . 0 0 "[ . 1 . 2]" 1
160 1 70 LEU HB2 1 70 LEU MD1 3.200 . 3.520 2.359 2.341 2.388 . 0 0 "[ . 1 . 2]" 1
161 1 20 LEU HB3 1 20 LEU MD2 3.300 . 3.630 2.263 2.235 2.285 . 0 0 "[ . 1 . 2]" 1
162 1 24 LEU HB3 1 33 LEU MD2 4.160 . 4.580 1.880 1.770 2.189 0.030 12 0 "[ . 1 . 2]" 1
163 1 70 LEU HB2 1 70 LEU MD2 3.340 . 3.670 3.215 3.212 3.218 . 0 0 "[ . 1 . 2]" 1
164 1 12 LEU HB3 1 12 LEU MD1 3.340 . 3.670 2.483 2.329 3.117 . 0 0 "[ . 1 . 2]" 1
165 1 17 LEU HB2 1 17 LEU MD1 3.170 . 3.490 2.402 2.371 2.430 . 0 0 "[ . 1 . 2]" 1
166 1 20 LEU HB2 1 20 LEU MD1 3.390 . 3.730 2.208 2.178 2.233 . 0 0 "[ . 1 . 2]" 1
167 1 70 LEU HB3 1 70 LEU MD1 3.350 . 3.690 2.385 2.362 2.415 . 0 0 "[ . 1 . 2]" 1
168 1 17 LEU HB2 1 17 LEU MD2 3.220 . 3.540 2.401 2.363 2.435 . 0 0 "[ . 1 . 2]" 1
169 1 20 LEU MD2 1 24 LEU MD1 3.450 . 3.790 2.140 2.011 2.348 . 0 0 "[ . 1 . 2]" 1
170 1 70 LEU HB3 1 70 LEU MD2 3.080 . 3.390 2.413 2.391 2.437 . 0 0 "[ . 1 . 2]" 1
171 1 72 LEU HB2 1 72 LEU MD2 3.480 . 3.830 2.415 2.383 2.515 . 0 0 "[ . 1 . 2]" 1
172 1 57 LYS HB3 1 57 LYS QD 2.820 . 3.100 2.472 2.345 2.941 . 0 0 "[ . 1 . 2]" 1
173 1 74 ARG QB 1 74 ARG QD 3.190 . 3.510 2.384 2.100 2.899 . 0 0 "[ . 1 . 2]" 1
174 1 57 LYS HB2 1 57 LYS QD 2.820 . 3.100 2.588 2.281 3.018 . 0 0 "[ . 1 . 2]" 1
175 1 56 ARG QB 1 56 ARG HD2 3.430 . 3.770 2.802 2.340 3.318 . 0 0 "[ . 1 . 2]" 1
176 1 56 ARG QB 1 56 ARG HD3 3.430 . 3.770 2.662 2.308 3.486 . 0 0 "[ . 1 . 2]" 1
177 1 15 ILE HB 1 15 ILE MD 3.560 . 3.920 2.470 2.433 2.533 . 0 0 "[ . 1 . 2]" 1
178 1 36 MET HB3 1 68 ILE MD 3.810 . 4.190 2.729 1.983 3.847 . 0 0 "[ . 1 . 2]" 1
179 1 4 ILE MD 1 4 ILE MG 2.400 . 2.640 1.962 1.929 2.036 . 0 0 "[ . 1 . 2]" 1
180 1 48 ILE MD 1 48 ILE MG 2.470 . 2.720 2.008 1.976 2.042 . 0 0 "[ . 1 . 2]" 1
181 1 37 VAL MG2 1 68 ILE MD 3.180 . 3.500 2.015 1.777 2.602 0.023 4 0 "[ . 1 . 2]" 1
182 1 15 ILE HA 1 15 ILE MD 3.940 . 4.330 3.805 3.727 3.853 . 0 0 "[ . 1 . 2]" 1
183 1 17 LEU HA 1 17 LEU MD1 3.360 . 3.700 2.099 2.052 2.154 . 0 0 "[ . 1 . 2]" 1
184 1 33 LEU HA 1 33 LEU MD1 4.000 . 4.400 3.870 3.843 3.897 . 0 0 "[ . 1 . 2]" 1
185 1 48 ILE HA 1 48 ILE MD 3.590 . 3.950 2.044 1.996 2.128 . 0 0 "[ . 1 . 2]" 1
186 1 65 VAL HA 1 68 ILE MD 3.580 . 3.940 2.334 1.999 2.725 . 0 0 "[ . 1 . 2]" 1
187 1 81 LEU HA 1 81 LEU MD1 4.210 . 4.630 3.573 2.854 4.138 . 0 0 "[ . 1 . 2]" 1
188 1 39 ILE MD 1 39 ILE MG 3.370 . 3.710 1.953 1.906 2.000 . 0 0 "[ . 1 . 2]" 1
189 1 48 ILE MG 1 52 LEU MD1 3.510 . 3.860 2.267 2.016 2.658 . 0 0 "[ . 1 . 2]" 1
190 1 68 ILE MD 1 68 ILE MG 3.380 . 3.720 1.947 1.910 1.990 . 0 0 "[ . 1 . 2]" 1
191 1 6 THR HA 1 6 THR MG 3.480 . 3.830 2.464 2.330 3.222 . 0 0 "[ . 1 . 2]" 1
192 1 16 THR HA 1 16 THR MG 3.290 . 3.620 2.415 2.374 2.454 . 0 0 "[ . 1 . 2]" 1
193 1 39 ILE HA 1 39 ILE MG 3.510 . 3.860 2.330 2.298 2.378 . 0 0 "[ . 1 . 2]" 1
194 1 48 ILE HA 1 48 ILE MG 3.500 . 3.850 2.425 2.336 2.478 . 0 0 "[ . 1 . 2]" 1
195 1 58 THR HA 1 58 THR MG 3.540 . 3.890 2.380 2.317 2.493 . 0 0 "[ . 1 . 2]" 1
196 1 65 VAL HA 1 65 VAL MG2 3.540 . 3.890 2.383 2.349 2.423 . 0 0 "[ . 1 . 2]" 1
197 1 68 ILE HA 1 68 ILE MG 3.550 . 3.900 2.446 2.376 2.529 . 0 0 "[ . 1 . 2]" 1
198 1 6 THR H 1 6 THR MG 4.080 . 4.490 3.203 2.073 4.074 . 0 0 "[ . 1 . 2]" 1
199 1 15 ILE H 1 15 ILE MG 4.030 . 4.430 3.788 3.746 3.908 . 0 0 "[ . 1 . 2]" 1
200 1 39 ILE H 1 39 ILE MG 4.270 . 4.700 2.970 2.087 3.291 . 0 0 "[ . 1 . 2]" 1
201 1 68 ILE MG 1 69 TYR H 4.430 . 4.870 3.427 3.216 3.658 . 0 0 "[ . 1 . 2]" 1
202 1 15 ILE HG13 1 15 ILE MG 3.530 . 3.880 3.218 3.209 3.222 . 0 0 "[ . 1 . 2]" 1
203 1 42 PHE H 1 42 PHE QD 4.740 . 5.210 3.118 2.648 3.405 . 0 0 "[ . 1 . 2]" 1
204 1 68 ILE H 1 68 ILE MD 4.080 . 4.490 3.589 3.505 3.747 . 0 0 "[ . 1 . 2]" 1
205 1 72 LEU H 1 72 LEU MD1 4.430 . 4.870 4.141 4.040 4.254 . 0 0 "[ . 1 . 2]" 1
206 1 81 LEU H 1 81 LEU MD1 4.720 . 5.190 3.034 1.913 4.461 . 0 0 "[ . 1 . 2]" 1
207 1 60 TRP HA 1 61 ALA HA 5.010 . 5.510 4.787 4.677 4.872 . 0 0 "[ . 1 . 2]" 1
208 1 3 LEU HA 1 4 ILE H 3.470 . 3.820 2.575 2.122 3.581 . 0 0 "[ . 1 . 2]" 1
209 1 4 ILE HA 1 5 MET H 3.370 . 3.710 2.306 2.148 3.333 . 0 0 "[ . 1 . 2]" 1
210 1 9 ASN HA 1 10 ASN H 3.510 . 3.860 2.538 2.136 3.581 . 0 0 "[ . 1 . 2]" 1
211 1 37 VAL HA 1 38 ASN H 3.500 . 3.850 2.295 2.163 3.387 . 0 0 "[ . 1 . 2]" 1
212 1 24 LEU HA 1 28 TYR H 4.710 . 5.180 3.350 2.970 3.850 . 0 0 "[ . 1 . 2]" 1
213 1 75 HIS HA 1 76 LYS H 3.490 . 3.840 3.425 3.237 3.537 . 0 0 "[ . 1 . 2]" 1
214 1 78 ARG HA 1 79 ASN H 3.280 . 3.610 2.323 2.157 3.537 . 0 0 "[ . 1 . 2]" 1
215 1 79 ASN HA 1 80 GLN H 3.470 . 3.820 2.430 2.134 3.535 . 0 0 "[ . 1 . 2]" 1
216 1 7 GLN HB3 1 8 GLN H 4.290 . 4.720 3.704 2.434 4.480 . 0 0 "[ . 1 . 2]" 1
217 1 9 ASN HB3 1 10 ASN H 4.120 . 4.530 3.654 1.897 4.408 . 0 0 "[ . 1 . 2]" 1
218 1 13 HIS HB3 1 14 GLY H 4.820 . 5.300 3.682 2.468 4.553 . 0 0 "[ . 1 . 2]" 1
219 1 17 LEU HB2 1 18 GLN H 4.350 . 4.790 3.988 3.865 4.087 . 0 0 "[ . 1 . 2]" 1
220 1 19 LYS HB3 1 20 LEU H 4.460 . 4.910 2.686 2.369 2.942 . 0 0 "[ . 1 . 2]" 1
221 1 42 PHE HB3 1 43 LYS H 4.470 . 4.920 4.149 3.793 4.497 . 0 0 "[ . 1 . 2]" 1
222 1 43 LYS HB3 1 44 LYS H 4.460 . 4.910 3.445 2.227 4.367 . 0 0 "[ . 1 . 2]" 1
223 1 44 LYS HB3 1 45 ASP H 4.900 . 5.390 4.050 2.373 4.477 . 0 0 "[ . 1 . 2]" 1
224 1 66 GLU HB3 1 67 ASN H 3.900 . 4.290 3.758 3.507 4.182 . 0 0 "[ . 1 . 2]" 1
225 1 73 GLN HB3 1 74 ARG H 4.570 . 5.030 3.739 3.102 4.376 . 0 0 "[ . 1 . 2]" 1
226 1 76 LYS HB3 1 77 GLU H 4.680 . 5.150 4.217 3.511 4.515 . 0 0 "[ . 1 . 2]" 1
227 1 77 GLU HB3 1 78 ARG H 4.330 . 4.760 3.829 2.739 4.555 . 0 0 "[ . 1 . 2]" 1
228 1 78 ARG HB3 1 79 ASN H 4.020 . 4.420 3.735 2.363 4.463 0.043 10 0 "[ . 1 . 2]" 1
229 1 7 GLN HB2 1 8 GLN H 4.290 . 4.720 3.960 2.178 4.473 . 0 0 "[ . 1 . 2]" 1
230 1 9 ASN HB2 1 10 ASN H 4.120 . 4.530 3.324 2.019 4.580 0.050 5 0 "[ . 1 . 2]" 1
231 1 19 LYS HB2 1 20 LEU H 4.460 . 4.910 3.914 3.685 4.099 . 0 0 "[ . 1 . 2]" 1
232 1 20 LEU HB3 1 21 LEU H 4.170 . 4.590 2.291 2.236 2.407 . 0 0 "[ . 1 . 2]" 1
233 1 42 PHE HB2 1 43 LYS H 4.470 . 4.920 3.265 2.721 3.817 . 0 0 "[ . 1 . 2]" 1
234 1 43 LYS HB2 1 44 LYS H 4.460 . 4.910 3.123 2.216 4.384 . 0 0 "[ . 1 . 2]" 1
235 1 62 ARG HB2 1 63 GLU H 4.030 . 4.430 3.388 2.083 3.968 . 0 0 "[ . 1 . 2]" 1
236 1 77 GLU HB2 1 78 ARG H 4.330 . 4.760 3.415 2.261 4.497 . 0 0 "[ . 1 . 2]" 1
237 1 79 ASN HB2 1 80 GLN H 4.000 . 4.400 3.569 2.002 4.437 0.037 3 0 "[ . 1 . 2]" 1
238 1 6 THR HB 1 7 GLN H 4.090 . 4.500 3.965 2.272 4.463 . 0 0 "[ . 1 . 2]" 1
239 1 15 ILE HB 1 16 THR H 4.190 . 4.610 4.257 3.958 4.462 . 0 0 "[ . 1 . 2]" 1
240 1 68 ILE HB 1 69 TYR H 4.110 . 4.520 2.665 2.559 2.808 . 0 0 "[ . 1 . 2]" 1
241 1 11 PRO HG2 1 12 LEU H 4.730 . 5.200 2.746 1.934 3.796 . 0 0 "[ . 1 . 2]" 1
242 1 57 LYS H 1 57 LYS QD 4.640 . 5.100 3.996 3.702 4.600 . 0 0 "[ . 1 . 2]" 1
243 1 52 LEU HA 1 52 LEU MD1 4.120 . 4.530 3.860 3.839 3.886 . 0 0 "[ . 1 . 2]" 1
244 1 72 LEU HA 1 72 LEU MD1 3.390 . 3.730 2.119 2.027 2.334 . 0 0 "[ . 1 . 2]" 1
245 1 12 LEU HA 1 12 LEU MD2 3.220 . 3.540 3.070 2.053 3.857 0.317 3 0 "[ . 1 . 2]" 1
246 1 17 LEU HA 1 17 LEU MD2 4.040 . 4.440 3.895 3.867 3.925 . 0 0 "[ . 1 . 2]" 1
247 1 21 LEU MD2 1 51 SER HB3 4.270 . 4.700 2.764 2.084 3.675 . 0 0 "[ . 1 . 2]" 1
248 1 24 LEU HA 1 24 LEU MD2 3.430 . 3.770 1.978 1.935 2.061 . 0 0 "[ . 1 . 2]" 1
249 1 33 LEU HA 1 33 LEU MD2 3.600 . 3.960 2.021 1.947 2.075 . 0 0 "[ . 1 . 2]" 1
250 1 52 LEU HA 1 52 LEU MD2 3.330 . 3.660 1.995 1.944 2.048 . 0 0 "[ . 1 . 2]" 1
251 1 55 LEU HA 1 55 LEU MD2 3.360 . 3.700 2.029 1.983 2.091 . 0 0 "[ . 1 . 2]" 1
252 1 69 TYR HA 1 72 LEU MD2 4.310 . 4.740 3.330 2.996 3.740 . 0 0 "[ . 1 . 2]" 1
253 1 81 LEU HA 1 81 LEU MD2 4.210 . 4.630 3.219 2.001 4.117 . 0 0 "[ . 1 . 2]" 1
254 1 25 VAL MG2 1 33 LEU MD1 3.630 . 3.990 2.248 1.997 2.482 . 0 0 "[ . 1 . 2]" 1
255 1 21 LEU MD2 1 25 VAL MG2 4.310 . 4.740 3.529 3.271 3.950 . 0 0 "[ . 1 . 2]" 1
256 1 21 LEU MD1 1 25 VAL MG2 3.390 . 3.730 2.798 2.571 3.215 . 0 0 "[ . 1 . 2]" 1
257 1 25 VAL MG2 1 30 TRP HA 5.090 . 5.600 3.808 3.257 4.144 . 0 0 "[ . 1 . 2]" 1
258 1 21 LEU HA 1 25 VAL MG2 4.790 . 5.270 3.920 3.735 4.263 . 0 0 "[ . 1 . 2]" 1
259 1 25 VAL MG2 1 30 TRP HZ2 4.570 . 5.030 3.015 2.643 3.336 . 0 0 "[ . 1 . 2]" 1
260 1 25 VAL MG2 1 30 TRP HZ3 4.730 . 5.200 3.760 3.243 4.806 . 0 0 "[ . 1 . 2]" 1
261 1 25 VAL MG2 1 30 TRP HH2 4.530 . 4.980 3.264 2.860 4.055 . 0 0 "[ . 1 . 2]" 1
262 1 39 ILE MD 1 61 ALA MB 3.880 . 4.270 2.410 2.104 2.834 . 0 0 "[ . 1 . 2]" 1
263 1 37 VAL HB 1 39 ILE MD 5.500 . 6.050 3.745 3.328 4.371 . 0 0 "[ . 1 . 2]" 1
264 1 39 ILE MD 1 42 PHE QD 4.930 . 5.420 3.675 3.181 4.155 . 0 0 "[ . 1 . 2]" 1
265 1 39 ILE MD 1 42 PHE QE 4.710 . 5.180 2.857 2.490 3.186 . 0 0 "[ . 1 . 2]" 1
266 1 39 ILE MD 1 42 PHE H 3.780 . 5.000 3.864 3.066 4.523 . 0 0 "[ . 1 . 2]" 1
267 1 54 PHE QE 1 61 ALA MB 3.830 . 4.210 2.667 1.968 3.628 . 0 0 "[ . 1 . 2]" 1
268 1 28 TYR QE 1 72 LEU MD1 4.210 . 4.630 2.580 1.878 3.795 . 0 0 "[ . 1 . 2]" 1
269 1 21 LEU MD1 1 33 LEU MD1 3.530 . 3.880 2.358 2.135 2.848 . 0 0 "[ . 1 . 2]" 1
270 1 24 LEU MD1 1 33 LEU MD1 3.740 . 4.110 3.407 2.970 3.793 . 0 0 "[ . 1 . 2]" 1
271 1 25 VAL HA 1 33 LEU MD1 3.960 . 4.360 2.746 2.230 3.243 . 0 0 "[ . 1 . 2]" 1
272 1 24 LEU HB2 1 33 LEU MD1 4.430 . 4.870 2.820 2.472 3.245 . 0 0 "[ . 1 . 2]" 1
273 1 30 TRP HA 1 33 LEU MD1 4.210 . 4.630 2.477 2.123 2.723 . 0 0 "[ . 1 . 2]" 1
274 1 28 TYR QD 1 33 LEU MD1 4.730 . 5.200 4.620 3.421 5.134 . 0 0 "[ . 1 . 2]" 1
275 1 25 VAL H 1 33 LEU MD1 4.560 . 5.020 3.310 2.981 3.749 . 0 0 "[ . 1 . 2]" 1
276 1 25 VAL MG2 1 33 LEU MD2 3.960 . 4.360 4.135 3.863 4.403 0.043 6 0 "[ . 1 . 2]" 1
277 1 21 LEU MD1 1 33 LEU MD2 3.710 . 4.080 3.550 3.242 4.023 . 0 0 "[ . 1 . 2]" 1
278 1 33 LEU MD2 1 68 ILE MG 3.910 . 4.300 2.553 2.037 3.113 . 0 0 "[ . 1 . 2]" 1
279 1 24 LEU MD2 1 33 LEU MD2 3.680 . 4.050 3.156 2.785 3.508 . 0 0 "[ . 1 . 2]" 1
280 1 24 LEU HB2 1 33 LEU MD2 4.160 . 4.580 3.123 2.795 3.484 . 0 0 "[ . 1 . 2]" 1
281 1 33 LEU MD2 1 68 ILE HB 5.110 . 5.620 3.858 3.498 4.485 . 0 0 "[ . 1 . 2]" 1
282 1 24 LEU HA 1 33 LEU MD2 4.770 . 5.250 3.780 3.510 4.146 . 0 0 "[ . 1 . 2]" 1
283 1 28 TYR QD 1 33 LEU MD2 4.000 . 4.400 3.294 2.182 3.775 . 0 0 "[ . 1 . 2]" 1
284 1 24 LEU MD2 1 72 LEU MD2 3.470 . 3.820 2.448 1.887 3.339 . 0 0 "[ . 1 . 2]" 1
285 1 24 LEU HG 1 72 LEU MD2 5.500 . 6.050 4.337 3.646 5.350 . 0 0 "[ . 1 . 2]" 1
286 1 69 TYR QE 1 72 LEU MD2 4.770 . 5.250 2.990 2.217 4.028 . 0 0 "[ . 1 . 2]" 1
287 1 72 LEU H 1 72 LEU MD2 4.180 . 4.600 4.268 4.174 4.302 . 0 0 "[ . 1 . 2]" 1
288 1 58 THR MG 1 61 ALA MB 3.450 . 3.790 2.112 1.888 2.980 . 0 0 "[ . 1 . 2]" 1
289 1 54 PHE QE 1 58 THR MG 3.980 . 4.380 2.826 2.294 3.274 . 0 0 "[ . 1 . 2]" 1
290 1 54 PHE HZ 1 58 THR MG 4.060 . 4.470 3.222 2.867 3.986 . 0 0 "[ . 1 . 2]" 1
291 1 58 THR MG 1 60 TRP HD1 3.960 . 4.360 2.991 2.655 3.529 . 0 0 "[ . 1 . 2]" 1
292 1 17 LEU MD1 1 20 LEU MD1 3.700 . 4.070 2.936 2.509 3.359 . 0 0 "[ . 1 . 2]" 1
293 1 20 LEU MD1 1 24 LEU HG 4.820 . 5.300 5.108 4.893 5.287 . 0 0 "[ . 1 . 2]" 1
294 1 17 LEU HB2 1 20 LEU MD1 4.770 . 5.250 4.407 3.854 4.993 . 0 0 "[ . 1 . 2]" 1
295 1 20 LEU MD1 1 69 TYR HB2 4.270 . 4.700 3.113 2.532 3.345 . 0 0 "[ . 1 . 2]" 1
296 1 20 LEU MD1 1 69 TYR HB3 4.110 . 4.520 2.707 2.457 2.946 . 0 0 "[ . 1 . 2]" 1
297 1 20 LEU MD1 1 66 GLU HA 3.650 . 4.020 2.233 1.895 2.617 . 0 0 "[ . 1 . 2]" 1
298 1 20 LEU MD1 1 69 TYR QD 4.120 . 4.530 3.067 2.696 3.446 . 0 0 "[ . 1 . 2]" 1
299 1 20 LEU MD2 1 24 LEU HG 4.260 . 4.690 2.688 2.362 2.993 . 0 0 "[ . 1 . 2]" 1
300 1 17 LEU HG 1 20 LEU MD2 5.260 . 5.790 4.527 4.059 4.892 . 0 0 "[ . 1 . 2]" 1
301 1 20 LEU MD2 1 21 LEU HG 5.500 . 6.050 5.355 5.239 5.507 . 0 0 "[ . 1 . 2]" 1
302 1 20 LEU MD2 1 69 TYR HB2 4.530 . 4.980 2.154 1.893 2.434 . 0 0 "[ . 1 . 2]" 1
303 1 20 LEU MD2 1 66 GLU HA 4.020 . 4.420 2.221 1.831 2.679 . 0 0 "[ . 1 . 2]" 1
304 1 20 LEU MD2 1 69 TYR QD 4.450 . 4.890 3.432 3.086 3.679 . 0 0 "[ . 1 . 2]" 1
305 1 55 LEU MD2 1 61 ALA MB 3.420 . 3.760 2.260 2.028 2.583 . 0 0 "[ . 1 . 2]" 1
306 1 39 ILE MD 1 55 LEU MD2 3.920 . 4.310 2.876 2.249 3.623 . 0 0 "[ . 1 . 2]" 1
307 1 55 LEU MD2 1 62 ARG HA 3.610 . 3.970 2.612 1.838 3.990 0.020 2 0 "[ . 1 . 2]" 1
308 1 42 PHE HZ 1 55 LEU MD2 3.950 . 4.350 2.858 2.020 3.564 . 0 0 "[ . 1 . 2]" 1
309 1 54 PHE QD 1 55 LEU MD2 4.160 . 4.580 2.573 2.025 3.101 . 0 0 "[ . 1 . 2]" 1
310 1 15 ILE MD 1 20 LEU HA 3.960 . 4.360 4.127 3.438 4.389 0.029 3 0 "[ . 1 . 2]" 1
311 1 15 ILE MD 1 19 LYS QE 4.750 . 5.220 4.436 2.933 5.287 0.067 16 0 "[ . 1 . 2]" 1
312 1 15 ILE MD 1 69 TYR QE 4.180 . 4.600 2.826 2.209 3.837 . 0 0 "[ . 1 . 2]" 1
313 1 15 ILE MD 1 20 LEU H 5.110 . 5.620 5.100 4.583 5.287 . 0 0 "[ . 1 . 2]" 1
314 1 15 ILE MD 1 16 THR H 5.040 . 5.540 5.089 4.774 5.461 . 0 0 "[ . 1 . 2]" 1
315 1 15 ILE MG 1 16 THR H 3.800 . 4.180 2.760 2.286 3.349 . 0 0 "[ . 1 . 2]" 1
316 1 39 ILE MG 1 61 ALA MB 3.720 . 4.090 2.942 2.249 3.839 . 0 0 "[ . 1 . 2]" 1
317 1 39 ILE MG 1 54 PHE HZ 4.320 . 4.750 3.506 2.721 4.081 . 0 0 "[ . 1 . 2]" 1
318 1 39 ILE MG 1 60 TRP HH2 3.890 . 4.280 2.418 1.995 3.676 . 0 0 "[ . 1 . 2]" 1
319 1 39 ILE MG 1 54 PHE QE 3.550 . 3.900 2.712 1.943 3.587 . 0 0 "[ . 1 . 2]" 1
320 1 39 ILE MG 1 60 TRP HZ2 4.170 . 4.590 3.321 2.250 4.558 . 0 0 "[ . 1 . 2]" 1
321 1 11 PRO HG2 1 12 LEU MD2 4.200 . 4.620 2.467 1.805 4.021 . 0 0 "[ . 1 . 2]" 1
322 1 11 PRO HG3 1 12 LEU MD2 4.200 . 4.620 3.782 3.207 4.724 0.104 7 0 "[ . 1 . 2]" 1
323 1 81 LEU H 1 81 LEU MD2 4.720 . 5.190 3.520 1.756 4.550 0.044 7 0 "[ . 1 . 2]" 1
324 1 18 GLN HB2 1 52 LEU MD1 4.070 . 4.480 2.694 2.032 3.090 . 0 0 "[ . 1 . 2]" 1
325 1 17 LEU MD2 1 62 ARG HD3 4.500 . 4.950 3.503 2.409 4.506 . 0 0 "[ . 1 . 2]" 1
326 1 37 VAL MG1 1 61 ALA MB 4.150 . 4.570 2.988 2.343 3.567 . 0 0 "[ . 1 . 2]" 1
327 1 37 VAL MG1 1 65 VAL MG2 3.560 . 3.920 3.073 2.413 3.890 . 0 0 "[ . 1 . 2]" 1
328 1 37 VAL MG1 1 64 ARG HB2 4.300 . 4.730 3.024 2.714 3.800 . 0 0 "[ . 1 . 2]" 1
329 1 37 VAL MG1 1 64 ARG HB3 4.300 . 4.730 3.503 2.826 4.709 . 0 0 "[ . 1 . 2]" 1
330 1 37 VAL MG1 1 64 ARG QD 4.230 . 4.650 3.389 2.449 4.559 . 0 0 "[ . 1 . 2]" 1
331 1 37 VAL MG1 1 60 TRP HH2 4.970 . 5.470 4.238 3.114 5.190 . 0 0 "[ . 1 . 2]" 1
332 1 37 VAL MG1 1 60 TRP HZ3 4.230 . 4.650 3.387 2.513 4.496 . 0 0 "[ . 1 . 2]" 1
333 1 37 VAL MG2 1 64 ARG QD 4.510 . 4.960 3.436 2.375 4.281 . 0 0 "[ . 1 . 2]" 1
334 1 25 VAL MG1 1 48 ILE MD 4.040 . 4.440 3.164 2.346 3.853 . 0 0 "[ . 1 . 2]" 1
335 1 25 VAL MG2 1 48 ILE MD 3.560 . 3.920 2.267 2.010 3.166 . 0 0 "[ . 1 . 2]" 1
336 1 21 LEU HG 1 48 ILE MD 3.610 . 3.970 2.697 2.196 3.403 . 0 0 "[ . 1 . 2]" 1
337 1 22 THR HA 1 48 ILE MD 3.570 . 3.930 2.686 2.116 3.850 . 0 0 "[ . 1 . 2]" 1
338 1 30 TRP HZ2 1 48 ILE MD 4.090 . 4.500 2.479 1.801 3.203 . 0 0 "[ . 1 . 2]" 1
339 1 30 TRP HH2 1 48 ILE MD 4.070 . 4.480 2.214 1.927 2.744 . 0 0 "[ . 1 . 2]" 1
340 1 33 LEU MD1 1 68 ILE MG 5.440 . 5.980 4.583 4.002 5.081 . 0 0 "[ . 1 . 2]" 1
341 1 28 TYR QE 1 68 ILE MG 3.790 . 4.170 2.986 2.134 3.602 . 0 0 "[ . 1 . 2]" 1
342 1 21 LEU MD1 1 42 PHE QE 4.230 . 4.650 2.893 2.108 4.021 . 0 0 "[ . 1 . 2]" 1
343 1 21 LEU MD1 1 42 PHE HZ 3.990 . 4.390 3.378 2.362 4.151 . 0 0 "[ . 1 . 2]" 1
344 1 69 TYR QD 1 70 LEU MD2 3.960 . 4.360 2.999 2.403 3.372 . 0 0 "[ . 1 . 2]" 1
345 1 18 GLN HG3 1 48 ILE MG 4.360 . 4.800 2.825 1.786 4.825 0.025 1 0 "[ . 1 . 2]" 1
346 1 18 GLN HA 1 48 ILE MG 4.570 . 5.030 3.413 2.400 4.273 . 0 0 "[ . 1 . 2]" 1
347 1 52 LEU HA 1 55 LEU MD1 4.000 . 4.400 2.546 2.215 3.050 . 0 0 "[ . 1 . 2]" 1
348 1 42 PHE HZ 1 55 LEU MD1 4.210 . 4.630 3.330 2.467 4.259 . 0 0 "[ . 1 . 2]" 1
349 1 15 ILE MG 1 20 LEU HB2 4.000 . 4.400 2.399 2.073 2.947 . 0 0 "[ . 1 . 2]" 1
350 1 17 LEU HA 1 20 LEU HB2 4.480 . 4.930 3.058 2.716 3.502 . 0 0 "[ . 1 . 2]" 1
351 1 17 LEU HA 1 20 LEU HB3 4.310 . 4.740 2.292 2.019 2.586 . 0 0 "[ . 1 . 2]" 1
352 1 24 LEU MD2 1 33 LEU MD1 4.660 . 5.130 4.402 4.054 4.782 . 0 0 "[ . 1 . 2]" 1
353 1 24 LEU MD2 1 72 LEU HB3 4.950 . 5.440 3.546 3.133 4.128 . 0 0 "[ . 1 . 2]" 1
354 1 24 LEU MD2 1 68 ILE HB 4.600 . 5.060 3.243 2.867 3.829 . 0 0 "[ . 1 . 2]" 1
355 1 24 LEU MD2 1 69 TYR HB3 4.860 . 5.350 3.855 3.632 4.306 . 0 0 "[ . 1 . 2]" 1
356 1 24 LEU MD2 1 69 TYR HB2 4.330 . 4.760 2.560 2.207 3.124 . 0 0 "[ . 1 . 2]" 1
357 1 24 LEU MD2 1 69 TYR HA 3.370 . 3.710 1.942 1.764 2.263 0.036 13 0 "[ . 1 . 2]" 1
358 1 24 LEU MD2 1 28 TYR QD 3.980 . 4.380 2.618 2.394 2.914 . 0 0 "[ . 1 . 2]" 1
359 1 24 LEU MD2 1 69 TYR QD 3.770 . 4.150 2.360 1.992 3.194 . 0 0 "[ . 1 . 2]" 1
360 1 24 LEU MD2 1 28 TYR QE 3.600 . 3.960 2.373 1.856 2.908 . 0 0 "[ . 1 . 2]" 1
361 1 24 LEU MD2 1 69 TYR H 4.530 . 4.980 3.146 2.897 3.576 . 0 0 "[ . 1 . 2]" 1
362 1 37 VAL MG1 1 42 PHE QE 4.340 . 4.770 2.781 2.091 3.702 . 0 0 "[ . 1 . 2]" 1
363 1 67 ASN HA 1 70 LEU HB2 3.850 . 4.230 2.684 2.413 2.865 . 0 0 "[ . 1 . 2]" 1
364 1 16 THR HA 1 17 LEU HB2 4.930 . 5.420 4.686 4.541 4.855 . 0 0 "[ . 1 . 2]" 1
365 1 60 TRP HA 1 63 GLU QB 3.990 . 4.390 3.110 2.212 4.169 . 0 0 "[ . 1 . 2]" 1
366 1 50 SER HA 1 53 LYS QB 3.920 . 4.310 3.137 2.439 4.048 . 0 0 "[ . 1 . 2]" 1
367 1 50 SER HA 1 53 LYS QD 4.430 . 4.870 3.370 2.333 4.885 0.015 18 0 "[ . 1 . 2]" 1
368 1 64 ARG HA 1 67 ASN HB2 4.200 . 4.620 3.153 2.486 3.586 . 0 0 "[ . 1 . 2]" 1
369 1 45 ASP HA 1 46 PRO HD2 3.770 . 4.150 2.412 2.035 2.943 . 0 0 "[ . 1 . 2]" 1
370 1 34 SER HB3 1 42 PHE HB2 4.910 . 5.400 3.160 1.782 4.901 0.018 7 0 "[ . 1 . 2]" 1
371 1 24 LEU HA 1 72 LEU MD2 5.380 . 5.920 3.439 2.710 4.497 . 0 0 "[ . 1 . 2]" 1
372 1 24 LEU HA 1 28 TYR QD 4.260 . 4.690 2.202 1.824 2.749 . 0 0 "[ . 1 . 2]" 1
373 1 32 GLU HA 1 35 TYR QD 4.180 . 4.600 3.818 2.088 4.472 . 0 0 "[ . 1 . 2]" 1
374 1 24 LEU HA 1 28 TYR QE 4.350 . 4.790 3.493 2.927 4.174 . 0 0 "[ . 1 . 2]" 1
375 1 30 TRP HA 1 33 LEU HB3 4.600 . 5.060 4.195 3.587 4.539 . 0 0 "[ . 1 . 2]" 1
376 1 30 TRP HA 1 33 LEU HB2 4.130 . 4.540 2.607 1.997 2.975 . 0 0 "[ . 1 . 2]" 1
377 1 19 LYS HA 1 22 THR HB 3.930 . 4.320 2.470 2.040 2.837 . 0 0 "[ . 1 . 2]" 1
378 1 22 THR MG 1 23 GLU HA 4.670 . 5.140 3.384 3.185 3.576 . 0 0 "[ . 1 . 2]" 1
379 1 63 GLU HA 1 66 GLU H 4.350 . 4.790 3.703 3.105 4.181 . 0 0 "[ . 1 . 2]" 1
380 1 69 TYR HA 1 72 LEU H 4.690 . 5.160 3.219 2.968 3.562 . 0 0 "[ . 1 . 2]" 1
381 1 69 TYR HA 1 72 LEU HB2 4.540 . 4.990 3.114 2.711 3.422 . 0 0 "[ . 1 . 2]" 1
382 1 69 TYR HA 1 70 LEU MD2 5.030 . 5.530 5.394 5.197 5.530 . 0 0 "[ . 1 . 2]" 1
383 1 21 LEU MD2 1 48 ILE HA 4.050 . 4.460 2.636 2.225 3.382 . 0 0 "[ . 1 . 2]" 1
384 1 30 TRP HH2 1 48 ILE HA 4.010 . 4.410 2.466 2.017 3.112 . 0 0 "[ . 1 . 2]" 1
385 1 30 TRP HZ2 1 48 ILE HA 4.790 . 5.270 3.827 3.065 4.697 . 0 0 "[ . 1 . 2]" 1
386 1 49 LYS HA 1 52 LEU MD1 3.910 . 4.300 2.514 2.014 3.416 . 0 0 "[ . 1 . 2]" 1
387 1 48 ILE MG 1 49 LYS HA 4.250 . 4.680 3.285 2.990 3.584 . 0 0 "[ . 1 . 2]" 1
388 1 66 GLU HA 1 69 TYR HB3 4.510 . 4.960 2.967 2.348 3.506 . 0 0 "[ . 1 . 2]" 1
389 1 33 LEU HA 1 36 MET HB2 4.310 . 4.740 3.076 2.537 3.732 . 0 0 "[ . 1 . 2]" 1
390 1 52 LEU HA 1 55 LEU HG 4.860 . 5.350 3.220 2.827 3.576 . 0 0 "[ . 1 . 2]" 1
391 1 20 LEU MD2 1 21 LEU HA 4.180 . 4.600 2.730 2.612 2.863 . 0 0 "[ . 1 . 2]" 1
392 1 69 TYR QD 1 70 LEU HA 4.540 . 4.990 3.863 3.426 4.358 . 0 0 "[ . 1 . 2]" 1
393 1 25 VAL MG1 1 26 GLU HA 4.550 . 5.010 3.495 3.244 3.683 . 0 0 "[ . 1 . 2]" 1
394 1 10 ASN HB3 1 11 PRO HD3 5.030 . 5.530 4.751 3.900 5.220 . 0 0 "[ . 1 . 2]" 1
395 1 10 ASN HB2 1 11 PRO HD2 5.030 . 5.530 4.415 2.376 5.190 . 0 0 "[ . 1 . 2]" 1
396 1 10 ASN HB2 1 11 PRO HD3 5.030 . 5.530 4.968 3.717 5.304 . 0 0 "[ . 1 . 2]" 1
397 1 18 GLN HA 1 52 LEU MD1 3.810 . 4.190 2.621 1.908 3.284 . 0 0 "[ . 1 . 2]" 1
398 1 68 ILE HA 1 71 LYS QD 4.460 . 4.910 2.992 1.887 4.529 . 0 0 "[ . 1 . 2]" 1
399 1 68 ILE HA 1 71 LYS QB 3.610 . 3.970 2.561 2.064 3.083 . 0 0 "[ . 1 . 2]" 1
400 1 55 LEU HA 1 58 THR HB 4.610 . 5.070 3.199 2.374 4.886 . 0 0 "[ . 1 . 2]" 1
401 1 55 LEU HA 1 61 ALA MB 4.700 . 5.170 3.005 2.639 3.355 . 0 0 "[ . 1 . 2]" 1
402 1 54 PHE QD 1 55 LEU HA 4.650 . 5.120 3.446 2.931 3.710 . 0 0 "[ . 1 . 2]" 1
403 1 65 VAL HA 1 68 ILE H 4.130 . 4.540 3.490 3.191 3.654 . 0 0 "[ . 1 . 2]" 1
404 1 65 VAL HA 1 68 ILE HB 3.910 . 4.300 3.016 2.631 3.419 . 0 0 "[ . 1 . 2]" 1
405 1 62 ARG HA 1 65 VAL HB 4.300 . 4.730 2.857 2.465 3.292 . 0 0 "[ . 1 . 2]" 1
406 1 62 ARG HA 1 65 VAL MG1 4.430 . 4.870 4.174 3.787 4.563 . 0 0 "[ . 1 . 2]" 1
407 1 21 LEU HG 1 22 THR HA 4.750 . 5.220 3.827 3.702 3.938 . 0 0 "[ . 1 . 2]" 1
408 1 22 THR HA 1 25 VAL MG2 4.660 . 5.130 3.055 2.683 3.303 . 0 0 "[ . 1 . 2]" 1
409 1 34 SER HA 1 42 PHE HB2 4.810 . 5.290 3.000 2.414 3.876 . 0 0 "[ . 1 . 2]" 1
410 1 34 SER HA 1 42 PHE HB3 4.810 . 5.290 4.120 2.482 5.211 . 0 0 "[ . 1 . 2]" 1
411 1 34 SER HB2 1 42 PHE HB2 4.910 . 5.400 3.118 1.889 4.226 . 0 0 "[ . 1 . 2]" 1
412 1 32 GLU HA 1 35 TYR HB3 4.840 . 5.320 2.982 2.236 4.976 . 0 0 "[ . 1 . 2]" 1
413 1 71 LYS HA 1 74 ARG QD 4.180 . 4.600 3.298 2.156 4.678 0.078 6 0 "[ . 1 . 2]" 1
414 1 60 TRP HZ3 1 64 ARG QD 4.530 . 4.980 3.606 2.423 4.635 . 0 0 "[ . 1 . 2]" 1
415 1 20 LEU HA 1 69 TYR QE 4.460 . 4.910 3.691 3.188 4.423 . 0 0 "[ . 1 . 2]" 1
416 1 20 LEU HA 1 23 GLU HB2 4.740 . 5.210 3.272 2.560 3.621 . 0 0 "[ . 1 . 2]" 1
417 1 20 LEU HA 1 23 GLU HB3 4.740 . 5.210 4.888 4.115 5.227 0.017 15 0 "[ . 1 . 2]" 1
418 1 15 ILE MG 1 20 LEU HA 3.960 . 4.360 2.766 2.380 3.175 . 0 0 "[ . 1 . 2]" 1
419 1 37 VAL MG1 1 61 ALA HA 4.570 . 5.030 3.053 2.464 3.463 . 0 0 "[ . 1 . 2]" 1
420 1 60 TRP HE3 1 61 ALA HA 4.320 . 4.750 3.403 2.904 3.953 . 0 0 "[ . 1 . 2]" 1
421 1 60 TRP HZ3 1 61 ALA HA 4.920 . 5.410 4.114 3.594 4.815 . 0 0 "[ . 1 . 2]" 1
422 1 66 GLU HA 1 69 TYR HB2 4.750 . 5.220 3.336 2.749 4.030 . 0 0 "[ . 1 . 2]" 1
423 1 24 LEU MD1 1 69 TYR HB3 4.410 . 4.850 3.905 3.508 4.253 . 0 0 "[ . 1 . 2]" 1
424 1 24 LEU MD1 1 69 TYR HB2 4.170 . 4.590 2.526 2.089 3.016 . 0 0 "[ . 1 . 2]" 1
425 1 72 LEU HA 1 75 HIS HB2 4.650 . 5.120 3.386 2.034 4.395 . 0 0 "[ . 1 . 2]" 1
426 1 72 LEU HA 1 75 HIS HB3 4.650 . 5.120 2.977 1.953 4.278 . 0 0 "[ . 1 . 2]" 1
427 1 17 LEU MD2 1 62 ARG HD2 4.500 . 4.950 3.142 1.973 4.571 . 0 0 "[ . 1 . 2]" 1
428 1 17 LEU MD1 1 62 ARG HD2 5.010 . 5.510 3.939 2.920 5.423 . 0 0 "[ . 1 . 2]" 1
429 1 17 LEU MD1 1 62 ARG HD3 5.010 . 5.510 4.238 3.092 5.323 . 0 0 "[ . 1 . 2]" 1
430 1 32 GLU HA 1 35 TYR HB2 4.840 . 5.320 3.240 2.431 3.816 . 0 0 "[ . 1 . 2]" 1
431 1 45 ASP HA 1 46 PRO HD3 3.770 . 4.150 2.680 2.075 3.126 . 0 0 "[ . 1 . 2]" 1
432 1 27 HIS HB2 1 72 LEU MD2 4.890 . 5.380 3.228 2.536 4.182 . 0 0 "[ . 1 . 2]" 1
433 1 24 LEU MD2 1 27 HIS HB2 5.190 . 5.710 4.390 3.697 5.445 . 0 0 "[ . 1 . 2]" 1
434 1 27 HIS HB3 1 72 LEU MD2 4.890 . 5.380 3.454 2.869 4.255 . 0 0 "[ . 1 . 2]" 1
435 1 41 CYS HB2 1 51 SER HA 5.500 . 6.050 4.535 3.373 5.780 . 0 0 "[ . 1 . 2]" 1
436 1 41 CYS HB3 1 51 SER HA 5.500 . 6.050 4.275 1.996 5.547 . 0 0 "[ . 1 . 2]" 1
437 1 58 THR HB 1 61 ALA MB 4.070 . 4.480 2.465 2.021 2.887 . 0 0 "[ . 1 . 2]" 1
438 1 28 TYR HB3 1 32 GLU HB2 5.010 . 5.510 2.457 1.889 4.536 . 0 0 "[ . 1 . 2]" 1
439 1 28 TYR HB3 1 32 GLU HB3 5.010 . 5.510 2.865 2.208 4.350 . 0 0 "[ . 1 . 2]" 1
440 1 28 TYR HB3 1 36 MET ME 5.030 . 5.530 3.355 2.782 4.052 . 0 0 "[ . 1 . 2]" 1
441 1 10 ASN HB3 1 11 PRO HD2 5.030 . 5.530 3.950 2.423 4.952 . 0 0 "[ . 1 . 2]" 1
442 1 39 ILE HA 1 40 ASN HB2 5.000 . 5.500 4.459 4.259 4.586 . 0 0 "[ . 1 . 2]" 1
443 1 39 ILE HA 1 40 ASN HB3 5.000 . 5.500 4.832 4.689 4.979 . 0 0 "[ . 1 . 2]" 1
444 1 20 LEU MD1 1 66 GLU HG2 4.450 . 4.890 2.759 1.913 4.797 . 0 0 "[ . 1 . 2]" 1
445 1 20 LEU MD1 1 66 GLU HG3 4.450 . 4.890 3.845 3.412 4.631 . 0 0 "[ . 1 . 2]" 1
446 1 23 GLU HG3 1 69 TYR QE 4.850 . 5.330 3.230 1.829 4.372 . 0 0 "[ . 1 . 2]" 1
447 1 23 GLU HG2 1 69 TYR QE 4.850 . 5.330 4.199 3.174 4.897 . 0 0 "[ . 1 . 2]" 1
448 1 28 TYR QD 1 32 GLU HG3 4.970 . 5.470 3.926 2.416 5.357 . 0 0 "[ . 1 . 2]" 1
449 1 28 TYR QD 1 32 GLU HG2 4.970 . 5.470 4.432 2.512 5.492 0.022 9 0 "[ . 1 . 2]" 1
450 1 32 GLU HG2 1 36 MET ME 4.700 . 5.170 4.554 1.880 5.190 0.020 6 0 "[ . 1 . 2]" 1
451 1 22 THR MG 1 26 GLU HG2 4.870 . 5.360 3.158 2.527 5.056 . 0 0 "[ . 1 . 2]" 1
452 1 22 THR MG 1 26 GLU HG3 4.870 . 5.360 2.966 2.309 4.594 . 0 0 "[ . 1 . 2]" 1
453 1 36 MET HB2 1 37 VAL MG2 4.750 . 5.220 3.000 2.798 3.139 . 0 0 "[ . 1 . 2]" 1
454 1 8 GLN H 1 8 GLN QG 4.710 . 5.180 3.187 1.839 4.138 . 0 0 "[ . 1 . 2]" 1
455 1 8 GLN QG 1 9 ASN H 4.840 . 5.320 3.908 1.789 4.931 0.011 16 0 "[ . 1 . 2]" 1
456 1 23 GLU HA 1 26 GLU HB3 4.260 . 4.690 4.164 2.654 4.713 0.023 9 0 "[ . 1 . 2]" 1
457 1 23 GLU HB3 1 69 TYR QE 4.300 . 4.730 2.962 2.026 4.760 0.030 17 0 "[ . 1 . 2]" 1
458 1 18 GLN HG3 1 52 LEU MD1 4.290 . 4.720 2.607 2.045 3.373 . 0 0 "[ . 1 . 2]" 1
459 1 18 GLN HG2 1 52 LEU MD1 4.290 . 4.720 3.685 1.873 4.703 . 0 0 "[ . 1 . 2]" 1
460 1 18 GLN HG2 1 48 ILE MG 4.360 . 4.800 3.416 2.482 4.394 . 0 0 "[ . 1 . 2]" 1
461 1 24 LEU HG 1 69 TYR QD 4.400 . 4.840 2.947 2.247 3.960 . 0 0 "[ . 1 . 2]" 1
462 1 20 LEU MD2 1 65 VAL HB 5.080 . 5.590 3.812 3.601 4.212 . 0 0 "[ . 1 . 2]" 1
463 1 55 LEU MD2 1 65 VAL HB 5.280 . 5.810 3.743 3.240 4.276 . 0 0 "[ . 1 . 2]" 1
464 1 21 LEU HA 1 24 LEU HB2 4.800 . 5.280 2.724 2.577 2.965 . 0 0 "[ . 1 . 2]" 1
465 1 21 LEU HA 1 24 LEU HB3 4.800 . 5.280 4.280 4.091 4.498 . 0 0 "[ . 1 . 2]" 1
466 1 24 LEU MD2 1 72 LEU MD1 4.290 . 4.720 3.897 3.356 4.565 . 0 0 "[ . 1 . 2]" 1
467 1 68 ILE MG 1 72 LEU MD1 4.940 . 5.430 4.768 4.318 5.459 0.029 4 0 "[ . 1 . 2]" 1
468 1 30 TRP HE3 1 33 LEU MD1 4.570 . 5.030 3.163 2.799 3.657 . 0 0 "[ . 1 . 2]" 1
469 1 15 ILE MG 1 69 TYR QE 4.340 . 4.770 3.642 2.872 4.272 . 0 0 "[ . 1 . 2]" 1
470 1 15 ILE MG 1 19 LYS HA 5.290 . 5.820 4.269 3.987 4.753 . 0 0 "[ . 1 . 2]" 1
471 1 18 GLN HG2 1 52 LEU MD2 5.220 . 5.740 4.783 3.153 5.657 . 0 0 "[ . 1 . 2]" 1
472 1 18 GLN HG3 1 52 LEU MD2 5.220 . 5.740 4.095 3.249 5.068 . 0 0 "[ . 1 . 2]" 1
473 1 17 LEU HG 1 52 LEU MD2 3.200 . 3.520 2.322 1.919 3.044 . 0 0 "[ . 1 . 2]" 1
474 1 21 LEU MD2 1 52 LEU MD2 3.620 . 3.980 2.485 2.017 3.188 . 0 0 "[ . 1 . 2]" 1
475 1 18 GLN HA 1 52 LEU MD2 3.630 . 3.990 2.406 1.885 3.190 . 0 0 "[ . 1 . 2]" 1
476 1 37 VAL HB 1 68 ILE MD 4.760 . 5.240 4.034 3.657 4.554 . 0 0 "[ . 1 . 2]" 1
477 1 36 MET HB2 1 68 ILE MD 4.130 . 4.540 2.530 2.174 3.094 . 0 0 "[ . 1 . 2]" 1
478 1 33 LEU MD2 1 68 ILE MD 4.380 . 4.820 2.487 2.090 3.519 . 0 0 "[ . 1 . 2]" 1
479 1 17 LEU MD2 1 52 LEU HA 4.100 . 4.510 3.456 2.895 4.128 . 0 0 "[ . 1 . 2]" 1
480 1 37 VAL MG1 1 39 ILE MD 3.730 . 4.100 2.327 2.165 2.711 . 0 0 "[ . 1 . 2]" 1
481 1 17 LEU MD1 1 20 LEU HB3 3.540 . 3.890 2.763 2.442 3.063 . 0 0 "[ . 1 . 2]" 1
482 1 17 LEU MD1 1 20 LEU MD2 3.320 . 3.650 2.451 1.915 2.789 . 0 0 "[ . 1 . 2]" 1
483 1 68 ILE MG 1 69 TYR HA 4.620 . 5.080 3.494 3.262 3.706 . 0 0 "[ . 1 . 2]" 1
484 1 68 ILE MG 1 69 TYR HB2 5.370 . 5.910 4.515 4.253 4.799 . 0 0 "[ . 1 . 2]" 1
485 1 68 ILE MG 1 71 LYS QE 5.500 . 6.050 4.134 2.177 6.074 0.024 10 0 "[ . 1 . 2]" 1
486 1 24 LEU MD1 1 33 LEU MD2 4.020 . 4.420 2.526 2.245 2.878 . 0 0 "[ . 1 . 2]" 1
487 1 15 ILE MG 1 20 LEU HB3 4.080 . 4.490 3.762 3.467 4.163 . 0 0 "[ . 1 . 2]" 1
488 1 17 LEU MD2 1 55 LEU HB3 4.500 . 4.950 2.538 1.957 3.399 . 0 0 "[ . 1 . 2]" 1
489 1 17 LEU MD2 1 55 LEU HB2 4.500 . 4.950 2.617 1.980 3.243 . 0 0 "[ . 1 . 2]" 1
490 1 21 LEU MD2 1 52 LEU HG 4.110 . 4.520 2.959 2.311 3.707 . 0 0 "[ . 1 . 2]" 1
491 1 21 LEU MD2 1 51 SER HB2 4.270 . 4.700 2.801 2.011 3.544 . 0 0 "[ . 1 . 2]" 1
492 1 55 LEU MD2 1 65 VAL MG2 3.470 . 3.820 2.271 2.029 2.579 . 0 0 "[ . 1 . 2]" 1
493 1 39 ILE MD 1 65 VAL MG2 4.430 . 4.870 3.762 3.192 4.295 . 0 0 "[ . 1 . 2]" 1
494 1 62 ARG HA 1 65 VAL MG2 4.090 . 4.500 3.038 2.454 3.536 . 0 0 "[ . 1 . 2]" 1
495 1 42 PHE QE 1 65 VAL MG2 4.240 . 4.660 3.143 2.699 3.638 . 0 0 "[ . 1 . 2]" 1
496 1 42 PHE HZ 1 65 VAL MG2 3.870 . 4.260 2.433 2.025 3.028 . 0 0 "[ . 1 . 2]" 1
497 1 19 LYS HA 1 22 THR MG 4.600 . 5.060 3.728 3.387 4.042 . 0 0 "[ . 1 . 2]" 1
498 1 15 ILE HG13 1 16 THR H 5.080 . 5.590 5.071 4.979 5.155 . 0 0 "[ . 1 . 2]" 1
499 1 20 LEU HG 1 69 TYR QD 4.780 . 5.260 2.940 2.440 3.096 . 0 0 "[ . 1 . 2]" 1
500 1 20 LEU HG 1 21 LEU HA 5.500 . 6.050 5.038 4.830 5.184 . 0 0 "[ . 1 . 2]" 1
501 1 72 LEU HG 1 73 GLN HA 5.500 . 6.050 3.676 3.165 3.982 . 0 0 "[ . 1 . 2]" 1
502 1 39 ILE HB 1 54 PHE QE 5.250 . 5.780 3.360 2.338 4.297 . 0 0 "[ . 1 . 2]" 1
503 1 39 ILE HB 1 41 CYS H 4.900 . 5.390 3.230 2.379 4.290 . 0 0 "[ . 1 . 2]" 1
504 1 19 LYS HA 1 19 LYS HG2 4.220 . 4.640 3.661 2.399 3.912 . 0 0 "[ . 1 . 2]" 1
505 1 71 LYS H 1 71 LYS HG2 4.680 . 5.150 4.058 3.371 4.529 . 0 0 "[ . 1 . 2]" 1
506 1 28 TYR HB2 1 33 LEU HG 4.970 . 5.470 3.253 2.678 3.716 . 0 0 "[ . 1 . 2]" 1
507 1 28 TYR HB3 1 33 LEU HG 4.970 . 5.470 3.749 3.209 4.266 . 0 0 "[ . 1 . 2]" 1
508 1 44 LYS HA 1 44 LYS HD2 5.410 . 5.950 4.232 2.139 4.875 . 0 0 "[ . 1 . 2]" 1
509 1 44 LYS HA 1 44 LYS HD3 5.410 . 5.950 4.391 2.049 5.556 . 0 0 "[ . 1 . 2]" 1
510 1 25 VAL HB 1 48 ILE MD 4.630 . 5.090 3.375 2.662 4.516 . 0 0 "[ . 1 . 2]" 1
511 1 22 THR HA 1 25 VAL HB 4.330 . 4.760 2.927 2.670 3.215 . 0 0 "[ . 1 . 2]" 1
512 1 21 LEU HG 1 25 VAL MG2 4.490 . 4.940 2.528 2.268 2.952 . 0 0 "[ . 1 . 2]" 1
513 1 67 ASN HA 1 70 LEU HB3 4.700 . 5.170 4.202 3.926 4.415 . 0 0 "[ . 1 . 2]" 1
514 1 30 TRP HZ2 1 48 ILE HG12 4.660 . 5.130 3.063 2.232 3.766 . 0 0 "[ . 1 . 2]" 1
515 1 54 PHE HA 1 57 LYS QD 4.150 . 4.570 3.186 2.206 4.590 0.020 17 0 "[ . 1 . 2]" 1
516 1 19 LYS HA 1 19 LYS HD3 4.340 . 4.770 2.797 2.044 4.670 . 0 0 "[ . 1 . 2]" 1
517 1 71 LYS HA 1 71 LYS QD 4.820 . 5.300 4.058 2.802 4.327 . 0 0 "[ . 1 . 2]" 1
518 1 73 GLN HA 1 76 LYS HB3 4.800 . 5.280 3.281 2.363 4.687 . 0 0 "[ . 1 . 2]" 1
519 1 73 GLN HA 1 76 LYS HB2 4.800 . 5.280 3.172 1.913 4.822 . 0 0 "[ . 1 . 2]" 1
520 1 40 ASN HA 1 43 LYS HB2 4.570 . 5.030 3.089 1.971 4.365 . 0 0 "[ . 1 . 2]" 1
521 1 40 ASN HA 1 43 LYS HB3 4.570 . 5.030 4.056 2.262 5.109 0.079 13 0 "[ . 1 . 2]" 1
522 1 71 LYS QB 1 71 LYS QD 3.300 . 3.630 2.293 2.125 2.413 . 0 0 "[ . 1 . 2]" 1
523 1 74 ARG QB 1 75 HIS HA 4.760 . 5.240 4.378 3.788 4.783 . 0 0 "[ . 1 . 2]" 1
524 1 28 TYR HB2 1 32 GLU HB2 5.010 . 5.510 3.734 3.135 5.630 0.120 11 0 "[ . 1 . 2]" 1
525 1 28 TYR HB2 1 32 GLU HB3 5.010 . 5.510 4.418 3.660 5.642 0.132 11 0 "[ . 1 . 2]" 1
526 1 18 GLN HB3 1 52 LEU MD1 4.070 . 4.480 4.033 3.580 4.506 0.026 15 0 "[ . 1 . 2]" 1
527 1 69 TYR QD 1 70 LEU HG 4.550 . 5.010 4.015 3.334 4.317 . 0 0 "[ . 1 . 2]" 1
528 1 37 VAL MG2 1 64 ARG HB3 4.500 . 4.950 2.264 1.784 2.974 0.016 15 0 "[ . 1 . 2]" 1
529 1 37 VAL MG2 1 64 ARG HB2 4.500 . 4.950 2.703 2.432 3.395 . 0 0 "[ . 1 . 2]" 1
530 1 15 ILE MG 1 19 LYS HD3 5.500 . 6.050 4.326 2.581 4.916 . 0 0 "[ . 1 . 2]" 1
531 1 15 ILE MD 1 19 LYS HD3 5.500 . 6.050 5.383 3.596 6.092 0.042 18 0 "[ . 1 . 2]" 1
532 1 15 ILE MG 1 19 LYS HD2 5.500 . 6.050 4.172 2.128 4.589 . 0 0 "[ . 1 . 2]" 1
533 1 15 ILE MD 1 19 LYS HD2 5.500 . 6.050 4.892 2.733 5.789 . 0 0 "[ . 1 . 2]" 1
534 1 19 LYS HA 1 19 LYS QE 5.000 . 5.500 3.909 2.618 4.770 . 0 0 "[ . 1 . 2]" 1
535 1 71 LYS HA 1 71 LYS QE 5.490 . 6.040 4.380 3.882 5.133 . 0 0 "[ . 1 . 2]" 1
536 1 71 LYS HA 1 71 LYS HG3 3.450 . 3.790 2.809 2.373 3.672 . 0 0 "[ . 1 . 2]" 1
537 1 19 LYS HA 1 19 LYS HG3 4.220 . 4.640 3.115 2.417 3.637 . 0 0 "[ . 1 . 2]" 1
538 1 71 LYS HA 1 71 LYS HG2 3.450 . 3.790 2.908 2.531 3.634 . 0 0 "[ . 1 . 2]" 1
539 1 53 LYS HA 1 53 LYS QE 5.500 . 6.050 4.569 3.702 5.481 . 0 0 "[ . 1 . 2]" 1
540 1 73 GLN HA 1 76 LYS QE 5.110 . 5.620 4.016 2.321 5.754 0.134 5 0 "[ . 1 . 2]" 1
541 1 71 LYS QB 1 71 LYS QE 3.800 . 4.180 2.522 1.888 3.881 . 0 0 "[ . 1 . 2]" 1
542 1 43 LYS HA 1 43 LYS QD 4.640 . 5.100 3.362 1.966 4.268 . 0 0 "[ . 1 . 2]" 1
543 1 15 ILE MG 1 19 LYS QE 5.110 . 5.620 4.115 1.789 4.779 0.011 11 0 "[ . 1 . 2]" 1
544 1 49 LYS HA 1 49 LYS QD 4.000 . 4.400 3.359 1.928 4.471 0.071 3 0 "[ . 1 . 2]" 1
545 1 67 ASN HA 1 70 LEU HG 4.420 . 4.860 2.809 2.534 3.292 . 0 0 "[ . 1 . 2]" 1
546 1 42 PHE HA 1 46 PRO HA 4.790 . 5.270 3.390 2.565 4.480 . 0 0 "[ . 1 . 2]" 1
547 1 21 LEU HA 1 24 LEU H 4.310 . 4.740 3.451 3.236 3.554 . 0 0 "[ . 1 . 2]" 1
548 1 69 TYR QD 1 70 LEU MD1 4.880 . 5.370 5.144 4.614 5.393 0.023 1 0 "[ . 1 . 2]" 1
549 1 10 ASN HA 1 11 PRO HG3 5.150 . 5.670 4.558 4.131 5.077 . 0 0 "[ . 1 . 2]" 1
550 1 10 ASN HA 1 11 PRO HG2 5.150 . 5.670 4.311 4.086 4.545 . 0 0 "[ . 1 . 2]" 1
551 1 69 TYR H 1 70 LEU HG 4.650 . 5.120 4.422 4.303 4.521 . 0 0 "[ . 1 . 2]" 1
552 1 51 SER HA 1 54 PHE H 4.570 . 5.030 3.486 3.231 3.651 . 0 0 "[ . 1 . 2]" 1
553 1 54 PHE QD 1 55 LEU HG 4.890 . 5.380 3.703 3.172 4.250 . 0 0 "[ . 1 . 2]" 1
554 1 17 LEU MD1 1 62 ARG HG3 4.950 . 5.440 3.395 1.924 5.480 0.040 2 0 "[ . 1 . 2]" 1
555 1 17 LEU MD1 1 62 ARG HG2 4.950 . 5.440 3.454 1.998 5.459 0.019 17 0 "[ . 1 . 2]" 1
556 1 22 THR HA 1 25 VAL MG1 5.120 . 5.630 4.256 4.037 4.493 . 0 0 "[ . 1 . 2]" 1
557 1 24 LEU HB2 1 28 TYR QD 5.290 . 5.820 4.477 4.183 5.163 . 0 0 "[ . 1 . 2]" 1
558 1 60 TRP HE3 1 61 ALA MB 5.260 . 5.790 4.232 3.690 4.775 . 0 0 "[ . 1 . 2]" 1
559 1 39 ILE MG 1 60 TRP HZ3 5.120 . 5.630 3.418 2.381 4.457 . 0 0 "[ . 1 . 2]" 1
560 1 21 LEU MD2 1 30 TRP HZ3 5.220 . 5.740 3.129 2.553 3.734 . 0 0 "[ . 1 . 2]" 1
561 1 41 CYS HA 1 43 LYS H 4.740 . 5.210 4.027 3.722 4.452 . 0 0 "[ . 1 . 2]" 1
562 1 21 LEU MD2 1 42 PHE QE 4.700 . 5.170 3.183 2.440 4.259 . 0 0 "[ . 1 . 2]" 1
563 1 21 LEU MD2 1 30 TRP HH2 4.740 . 5.210 2.808 1.956 3.894 . 0 0 "[ . 1 . 2]" 1
564 1 44 LYS HG3 1 45 ASP H 4.990 . 5.490 3.731 2.238 5.007 . 0 0 "[ . 1 . 2]" 1
565 1 45 ASP HA 1 46 PRO HG2 5.210 . 5.730 4.517 4.091 5.050 . 0 0 "[ . 1 . 2]" 1
566 1 45 ASP HA 1 46 PRO HG3 5.210 . 5.730 4.666 4.257 4.971 . 0 0 "[ . 1 . 2]" 1
567 1 23 GLU HA 1 26 GLU H 4.000 . 4.400 3.422 3.160 3.725 . 0 0 "[ . 1 . 2]" 1
568 1 23 GLU HA 1 26 GLU HB2 4.260 . 4.690 2.770 2.235 4.735 0.045 13 0 "[ . 1 . 2]" 1
569 1 17 LEU HA 1 20 LEU MD2 4.120 . 4.530 3.489 3.071 3.769 . 0 0 "[ . 1 . 2]" 1
570 1 17 LEU HA 1 20 LEU MD1 4.070 . 4.480 2.981 2.595 3.449 . 0 0 "[ . 1 . 2]" 1
571 1 48 ILE HA 1 51 SER H 5.020 . 5.520 3.797 3.511 4.119 . 0 0 "[ . 1 . 2]" 1
572 1 21 LEU HA 1 24 LEU MD1 3.740 . 4.110 2.466 2.185 2.671 . 0 0 "[ . 1 . 2]" 1
573 1 17 LEU MD2 1 56 ARG HA 4.590 . 5.050 4.194 3.490 5.074 0.024 19 0 "[ . 1 . 2]" 1
574 1 70 LEU HA 1 73 GLN H 4.270 . 4.700 3.245 2.919 3.567 . 0 0 "[ . 1 . 2]" 1
575 1 18 GLN HA 1 21 LEU HB3 4.960 . 5.460 3.319 2.973 3.640 . 0 0 "[ . 1 . 2]" 1
576 1 17 LEU HG 1 18 GLN HA 4.960 . 5.460 3.848 3.568 4.051 . 0 0 "[ . 1 . 2]" 1
577 1 18 GLN HA 1 21 LEU MD2 5.040 . 5.540 4.001 3.657 4.334 . 0 0 "[ . 1 . 2]" 1
578 1 18 GLN HA 1 21 LEU HB2 4.960 . 5.460 4.246 3.954 4.652 . 0 0 "[ . 1 . 2]" 1
579 1 24 LEU MD1 1 65 VAL HA 3.810 . 4.190 3.263 3.022 3.578 . 0 0 "[ . 1 . 2]" 1
580 1 24 LEU MD1 1 69 TYR HA 4.650 . 5.120 3.565 3.156 4.051 . 0 0 "[ . 1 . 2]" 1
581 1 21 LEU HA 1 24 LEU MD2 5.170 . 5.690 4.558 4.256 4.802 . 0 0 "[ . 1 . 2]" 1
582 1 25 VAL MG1 1 30 TRP HZ2 4.610 . 5.070 3.139 2.630 3.985 . 0 0 "[ . 1 . 2]" 1
583 1 58 THR MG 1 61 ALA HA 4.870 . 5.360 3.887 3.628 5.373 0.013 6 0 "[ . 1 . 2]" 1
584 1 37 VAL MG1 1 65 VAL HA 5.230 . 5.750 4.939 4.449 5.567 . 0 0 "[ . 1 . 2]" 1
585 1 24 LEU HB3 1 33 LEU MD1 4.430 . 4.870 2.728 2.295 3.212 . 0 0 "[ . 1 . 2]" 1
586 1 23 GLU HB3 1 24 LEU H 4.000 . 4.400 3.631 3.253 3.832 . 0 0 "[ . 1 . 2]" 1
587 1 23 GLU HB2 1 24 LEU H 4.000 . 4.400 2.709 2.546 2.976 . 0 0 "[ . 1 . 2]" 1
588 1 24 LEU MD2 1 27 HIS HB3 5.190 . 5.710 4.642 3.770 5.584 . 0 0 "[ . 1 . 2]" 1
589 1 54 PHE QD 1 58 THR HB 4.800 . 5.280 3.660 3.074 5.142 . 0 0 "[ . 1 . 2]" 1
590 1 72 LEU MD1 1 75 HIS HB2 5.220 . 5.740 4.068 2.235 5.169 . 0 0 "[ . 1 . 2]" 1
591 1 72 LEU MD1 1 75 HIS HB3 5.220 . 5.740 3.167 2.372 4.257 . 0 0 "[ . 1 . 2]" 1
592 1 65 VAL MG1 1 69 TYR HB2 4.670 . 5.140 4.151 3.906 4.425 . 0 0 "[ . 1 . 2]" 1
593 1 65 VAL MG1 1 69 TYR HB3 5.500 . 6.050 5.023 4.786 5.206 . 0 0 "[ . 1 . 2]" 1
594 1 69 TYR HB3 1 70 LEU MD1 5.500 . 6.050 5.028 4.849 5.238 . 0 0 "[ . 1 . 2]" 1
595 1 17 LEU MD1 1 18 GLN HA 4.360 . 4.800 4.811 4.706 4.858 0.058 13 0 "[ . 1 . 2]" 1
596 1 20 LEU HA 1 69 TYR QD 4.700 . 5.170 3.815 3.351 4.425 . 0 0 "[ . 1 . 2]" 1
597 1 42 PHE QE 1 55 LEU MD1 4.770 . 5.250 3.385 2.564 4.090 . 0 0 "[ . 1 . 2]" 1
598 1 42 PHE QE 1 65 VAL MG1 5.190 . 5.710 4.334 3.822 4.729 . 0 0 "[ . 1 . 2]" 1
599 1 34 SER HB2 1 42 PHE HB3 4.910 . 5.400 3.902 2.077 5.204 . 0 0 "[ . 1 . 2]" 1
600 1 20 LEU MD2 1 65 VAL MG1 3.340 . 3.670 2.103 1.875 2.519 . 0 0 "[ . 1 . 2]" 1
601 1 25 VAL MG2 1 30 TRP HE3 4.840 . 5.320 3.891 3.479 4.644 . 0 0 "[ . 1 . 2]" 1
602 1 37 VAL MG2 1 39 ILE MD 4.040 . 4.440 4.107 3.828 4.389 . 0 0 "[ . 1 . 2]" 1
603 1 25 VAL MG1 1 30 TRP HD1 4.850 . 5.330 3.296 2.708 3.738 . 0 0 "[ . 1 . 2]" 1
604 1 60 TRP HZ2 1 61 ALA MB 5.020 . 5.520 4.385 3.797 5.109 . 0 0 "[ . 1 . 2]" 1
605 1 61 ALA MB 1 64 ARG H 5.500 . 6.050 4.702 4.470 5.064 . 0 0 "[ . 1 . 2]" 1
606 1 28 TYR QD 1 72 LEU MD1 4.820 . 5.300 4.020 3.333 4.837 . 0 0 "[ . 1 . 2]" 1
607 1 25 VAL MG1 1 33 LEU MD1 4.670 . 5.140 3.679 3.378 3.982 . 0 0 "[ . 1 . 2]" 1
608 1 30 TRP HE3 1 33 LEU MD2 5.190 . 5.710 5.629 5.370 5.757 0.047 17 0 "[ . 1 . 2]" 1
609 1 58 THR MG 1 62 ARG H 4.780 . 5.260 3.828 3.523 4.900 . 0 0 "[ . 1 . 2]" 1
610 1 37 VAL MG1 1 42 PHE QD 4.750 . 5.220 4.042 3.514 4.895 . 0 0 "[ . 1 . 2]" 1
611 1 37 VAL MG1 1 64 ARG H 5.500 . 6.050 4.886 4.610 5.464 . 0 0 "[ . 1 . 2]" 1
612 1 37 VAL MG1 1 64 ARG HE 5.500 . 6.050 5.059 3.336 6.070 0.020 11 0 "[ . 1 . 2]" 1
613 1 37 VAL MG1 1 65 VAL H 4.950 . 5.440 4.297 3.706 4.992 . 0 0 "[ . 1 . 2]" 1
614 1 28 TYR QD 1 68 ILE MG 4.740 . 5.210 3.529 2.944 4.128 . 0 0 "[ . 1 . 2]" 1
615 1 37 VAL MG2 1 42 PHE QD 4.580 . 5.040 4.449 3.394 5.091 0.051 4 0 "[ . 1 . 2]" 1
616 1 36 MET H 1 37 VAL MG2 4.750 . 5.220 4.340 3.912 4.748 . 0 0 "[ . 1 . 2]" 1
617 1 21 LEU MD1 1 24 LEU H 4.830 . 5.310 4.422 4.137 4.517 . 0 0 "[ . 1 . 2]" 1
618 1 22 THR MG 1 23 GLU H 4.090 . 4.500 3.261 3.131 3.386 . 0 0 "[ . 1 . 2]" 1
619 1 72 LEU HG 1 73 GLN H 4.930 . 5.420 3.722 3.277 4.130 . 0 0 "[ . 1 . 2]" 1
620 1 56 ARG HG2 1 57 LYS H 5.130 . 5.640 4.353 2.498 5.260 . 0 0 "[ . 1 . 2]" 1
621 1 69 TYR QD 1 72 LEU MD2 4.500 . 4.950 2.899 2.318 3.583 . 0 0 "[ . 1 . 2]" 1
622 1 72 LEU MD2 1 73 GLN HE22 4.810 . 5.290 3.537 2.572 5.408 0.118 20 0 "[ . 1 . 2]" 1
623 1 18 GLN H 1 52 LEU MD1 4.730 . 5.200 4.116 3.698 4.729 . 0 0 "[ . 1 . 2]" 1
624 1 67 ASN HA 1 70 LEU MD1 3.750 . 4.130 2.233 2.017 2.580 . 0 0 "[ . 1 . 2]" 1
625 1 72 LEU MD2 1 73 GLN HE21 4.810 . 5.290 3.242 2.575 4.938 . 0 0 "[ . 1 . 2]" 1
626 1 18 GLN HE21 1 48 ILE MG 4.820 . 5.300 3.372 2.386 5.076 . 0 0 "[ . 1 . 2]" 1
627 1 18 GLN HE22 1 48 ILE MG 4.820 . 5.300 4.637 3.765 5.216 . 0 0 "[ . 1 . 2]" 1
628 1 56 ARG QB 1 56 ARG HE 4.300 . 4.730 2.931 1.892 4.083 . 0 0 "[ . 1 . 2]" 1
629 1 43 LYS H 1 44 LYS H 3.330 . 3.660 2.417 2.059 2.724 . 0 0 "[ . 1 . 2]" 1
630 1 19 LYS H 1 20 LEU H 3.700 . 4.070 2.660 2.556 2.811 . 0 0 "[ . 1 . 2]" 1
631 1 18 GLN HB2 1 19 LYS H 4.160 . 4.580 3.729 3.636 3.872 . 0 0 "[ . 1 . 2]" 1
632 1 19 LYS H 1 20 LEU HB3 4.630 . 5.090 4.836 4.737 4.950 . 0 0 "[ . 1 . 2]" 1
633 1 15 ILE MG 1 19 LYS H 4.870 . 5.360 3.833 3.566 4.129 . 0 0 "[ . 1 . 2]" 1
634 1 53 LYS H 1 56 ARG H 5.500 . 6.050 4.921 4.699 5.142 . 0 0 "[ . 1 . 2]" 1
635 1 50 SER HA 1 53 LYS H 4.330 . 4.760 3.754 3.490 4.059 . 0 0 "[ . 1 . 2]" 1
636 1 52 LEU HB3 1 53 LYS H 4.030 . 4.430 3.600 3.403 3.764 . 0 0 "[ . 1 . 2]" 1
637 1 68 ILE HA 1 71 LYS H 4.490 . 4.940 3.361 3.011 3.785 . 0 0 "[ . 1 . 2]" 1
638 1 70 LEU HB3 1 71 LYS H 4.280 . 4.710 3.615 3.474 3.798 . 0 0 "[ . 1 . 2]" 1
639 1 71 LYS H 1 71 LYS HG3 4.680 . 5.150 3.533 2.085 4.561 . 0 0 "[ . 1 . 2]" 1
640 1 70 LEU MD2 1 71 LYS H 4.750 . 5.220 4.627 4.594 4.685 . 0 0 "[ . 1 . 2]" 1
641 1 70 LEU HB2 1 71 LYS H 3.690 . 4.060 2.549 2.376 2.806 . 0 0 "[ . 1 . 2]" 1
642 1 58 THR MG 1 60 TRP HE1 3.550 . 3.900 2.365 2.048 2.693 . 0 0 "[ . 1 . 2]" 1
643 1 30 TRP HE1 1 48 ILE MD 4.720 . 5.190 4.474 3.440 5.171 . 0 0 "[ . 1 . 2]" 1
644 1 25 VAL MG1 1 30 TRP HE1 3.740 . 4.110 2.574 2.249 2.863 . 0 0 "[ . 1 . 2]" 1
645 1 58 THR MG 1 59 ASP H 4.080 . 4.490 3.307 2.299 3.926 . 0 0 "[ . 1 . 2]" 1
646 1 30 TRP HZ2 1 48 ILE H 4.360 . 4.800 3.405 2.690 4.321 . 0 0 "[ . 1 . 2]" 1
647 1 47 SER HB2 1 48 ILE H 4.230 . 4.650 3.949 3.742 4.341 . 0 0 "[ . 1 . 2]" 1
648 1 47 SER HB3 1 48 ILE H 4.230 . 4.650 3.373 2.559 4.170 . 0 0 "[ . 1 . 2]" 1
649 1 4 ILE HB 1 5 MET H 4.830 . 5.310 4.144 2.880 4.487 . 0 0 "[ . 1 . 2]" 1
650 1 4 ILE MG 1 5 MET H 4.710 . 5.180 3.648 2.085 4.179 . 0 0 "[ . 1 . 2]" 1
651 1 61 ALA H 1 62 ARG H 3.610 . 3.970 2.667 2.405 2.939 . 0 0 "[ . 1 . 2]" 1
652 1 58 THR MG 1 61 ALA H 3.500 . 3.850 2.054 1.774 3.894 0.044 6 0 "[ . 1 . 2]" 1
653 1 6 THR HA 1 7 GLN H 3.340 . 3.670 2.494 2.153 3.594 . 0 0 "[ . 1 . 2]" 1
654 1 22 THR H 1 22 THR HB 3.620 . 3.980 2.595 2.534 2.651 . 0 0 "[ . 1 . 2]" 1
655 1 4 ILE H 1 4 ILE HB 3.950 . 4.350 3.008 2.540 3.707 . 0 0 "[ . 1 . 2]" 1
656 1 15 ILE H 1 15 ILE HB 3.420 . 3.760 2.509 2.399 2.814 . 0 0 "[ . 1 . 2]" 1
657 1 25 VAL H 1 25 VAL HB 3.370 . 3.710 2.539 2.473 2.599 . 0 0 "[ . 1 . 2]" 1
658 1 37 VAL H 1 37 VAL HB 4.050 . 4.460 2.680 2.559 2.835 . 0 0 "[ . 1 . 2]" 1
659 1 48 ILE H 1 48 ILE HB 3.600 . 3.960 2.590 2.510 2.679 . 0 0 "[ . 1 . 2]" 1
660 1 58 THR H 1 58 THR HB 3.870 . 4.260 2.686 2.416 3.780 . 0 0 "[ . 1 . 2]" 1
661 1 61 ALA H 1 61 ALA MB 3.320 . 3.650 2.258 2.226 2.300 . 0 0 "[ . 1 . 2]" 1
662 1 65 VAL H 1 65 VAL HB 3.390 . 3.730 2.543 2.489 2.616 . 0 0 "[ . 1 . 2]" 1
663 1 68 ILE H 1 68 ILE HB 3.380 . 3.720 2.544 2.420 2.648 . 0 0 "[ . 1 . 2]" 1
664 1 3 LEU H 1 3 LEU QB 3.730 . 4.100 2.513 2.216 3.269 . 0 0 "[ . 1 . 2]" 1
665 1 8 GLN H 1 8 GLN HB2 3.940 . 4.330 2.835 2.289 3.717 . 0 0 "[ . 1 . 2]" 1
666 1 9 ASN H 1 9 ASN HB2 3.720 . 4.090 3.165 2.428 4.083 . 0 0 "[ . 1 . 2]" 1
667 1 12 LEU H 1 12 LEU HB2 3.820 . 4.200 3.173 2.402 4.028 . 0 0 "[ . 1 . 2]" 1
668 1 13 HIS H 1 13 HIS HB2 3.220 . 3.540 2.677 2.353 3.160 . 0 0 "[ . 1 . 2]" 1
669 1 17 LEU H 1 17 LEU HB3 3.630 . 3.990 2.534 2.484 2.570 . 0 0 "[ . 1 . 2]" 1
670 1 18 GLN H 1 18 GLN HB2 3.570 . 3.930 2.543 2.414 2.722 . 0 0 "[ . 1 . 2]" 1
671 1 18 GLN HB3 1 19 LYS H 4.160 . 4.580 2.287 2.141 2.493 . 0 0 "[ . 1 . 2]" 1
672 1 20 LEU H 1 20 LEU HB3 3.470 . 3.820 2.553 2.511 2.579 . 0 0 "[ . 1 . 2]" 1
673 1 21 LEU H 1 21 LEU HB2 3.560 . 3.920 2.498 2.462 2.537 . 0 0 "[ . 1 . 2]" 1
674 1 24 LEU H 1 24 LEU HB2 4.080 . 4.490 2.494 2.430 2.563 . 0 0 "[ . 1 . 2]" 1
675 1 26 GLU H 1 26 GLU HB2 3.640 . 4.000 2.500 2.258 3.630 . 0 0 "[ . 1 . 2]" 1
676 1 27 HIS H 1 27 HIS HB2 3.580 . 3.940 2.544 2.364 2.770 . 0 0 "[ . 1 . 2]" 1
677 1 28 TYR H 1 28 TYR HB2 4.130 . 4.540 2.525 2.383 2.717 . 0 0 "[ . 1 . 2]" 1
678 1 30 TRP H 1 30 TRP HB2 4.120 . 4.530 2.515 2.375 2.623 . 0 0 "[ . 1 . 2]" 1
679 1 31 GLU H 1 31 GLU HB2 3.670 . 4.040 2.565 2.407 3.636 . 0 0 "[ . 1 . 2]" 1
680 1 32 GLU H 1 32 GLU HB2 3.730 . 4.100 2.524 2.257 3.692 . 0 0 "[ . 1 . 2]" 1
681 1 35 TYR H 1 35 TYR HB2 3.540 . 3.890 2.628 2.382 2.937 . 0 0 "[ . 1 . 2]" 1
682 1 36 MET H 1 36 MET HB2 3.870 . 4.260 2.422 2.335 2.534 . 0 0 "[ . 1 . 2]" 1
683 1 40 ASN H 1 40 ASN HB2 3.690 . 4.060 2.541 2.424 2.816 . 0 0 "[ . 1 . 2]" 1
684 1 43 LYS H 1 43 LYS HB2 3.810 . 4.190 2.515 2.321 2.737 . 0 0 "[ . 1 . 2]" 1
685 1 44 LYS H 1 44 LYS HB2 3.620 . 3.980 3.014 2.453 3.983 0.003 11 0 "[ . 1 . 2]" 1
686 1 49 LYS H 1 49 LYS HB2 3.570 . 3.930 2.540 2.209 3.606 . 0 0 "[ . 1 . 2]" 1
687 1 50 SER H 1 50 SER HB2 3.730 . 4.100 2.634 2.494 3.607 . 0 0 "[ . 1 . 2]" 1
688 1 54 PHE H 1 54 PHE HB2 3.670 . 4.040 2.640 2.480 2.854 . 0 0 "[ . 1 . 2]" 1
689 1 55 LEU H 1 55 LEU HB2 4.150 . 4.570 2.519 2.475 2.577 . 0 0 "[ . 1 . 2]" 1
690 1 57 LYS H 1 57 LYS HB2 3.730 . 4.100 3.256 2.401 3.767 . 0 0 "[ . 1 . 2]" 1
691 1 59 ASP H 1 59 ASP HB2 3.710 . 4.080 2.541 2.334 3.585 . 0 0 "[ . 1 . 2]" 1
692 1 60 TRP H 1 60 TRP HB2 3.950 . 4.350 3.627 3.604 3.653 . 0 0 "[ . 1 . 2]" 1
693 1 62 ARG H 1 62 ARG HB2 3.760 . 4.140 2.545 2.371 2.749 . 0 0 "[ . 1 . 2]" 1
694 1 64 ARG H 1 64 ARG HB2 4.050 . 4.460 2.477 2.327 2.565 . 0 0 "[ . 1 . 2]" 1
695 1 66 GLU H 1 66 GLU HB2 3.850 . 4.230 2.707 2.461 3.627 . 0 0 "[ . 1 . 2]" 1
696 1 67 ASN H 1 67 ASN HB2 3.580 . 3.940 2.466 2.243 2.549 . 0 0 "[ . 1 . 2]" 1
697 1 69 TYR H 1 69 TYR HB3 3.630 . 3.990 2.596 2.404 2.690 . 0 0 "[ . 1 . 2]" 1
698 1 70 LEU H 1 70 LEU HB2 3.410 . 3.750 2.543 2.506 2.584 . 0 0 "[ . 1 . 2]" 1
699 1 72 LEU H 1 72 LEU HB3 3.510 . 3.860 2.474 2.319 2.566 . 0 0 "[ . 1 . 2]" 1
700 1 75 HIS H 1 75 HIS HB2 3.470 . 3.820 2.638 2.315 3.105 . 0 0 "[ . 1 . 2]" 1
701 1 76 LYS H 1 76 LYS HB2 3.740 . 4.110 2.694 2.075 3.719 . 0 0 "[ . 1 . 2]" 1
702 1 77 GLU H 1 77 GLU HB2 3.740 . 4.110 3.035 2.198 3.630 . 0 0 "[ . 1 . 2]" 1
703 1 78 ARG H 1 78 ARG HB2 3.740 . 4.110 2.758 2.163 4.019 . 0 0 "[ . 1 . 2]" 1
704 1 81 LEU H 1 81 LEU HB2 3.930 . 4.320 2.969 2.391 4.060 . 0 0 "[ . 1 . 2]" 1
705 1 8 GLN H 1 8 GLN HB3 3.940 . 4.330 3.072 2.447 4.043 . 0 0 "[ . 1 . 2]" 1
706 1 9 ASN H 1 9 ASN HB3 3.720 . 4.090 3.276 2.575 3.757 . 0 0 "[ . 1 . 2]" 1
707 1 13 HIS H 1 13 HIS HB3 3.220 . 3.540 2.674 2.367 3.680 0.140 10 0 "[ . 1 . 2]" 1
708 1 17 LEU H 1 17 LEU HB2 3.520 . 3.870 2.486 2.443 2.547 . 0 0 "[ . 1 . 2]" 1
709 1 18 GLN H 1 18 GLN HB3 3.570 . 3.930 2.506 2.384 2.603 . 0 0 "[ . 1 . 2]" 1
710 1 19 LYS H 1 19 LYS HB3 3.850 . 4.230 2.524 2.261 2.709 . 0 0 "[ . 1 . 2]" 1
711 1 20 LEU H 1 20 LEU HB2 3.620 . 3.980 2.384 2.349 2.421 . 0 0 "[ . 1 . 2]" 1
712 1 21 LEU H 1 21 LEU HB3 3.560 . 3.920 2.525 2.486 2.555 . 0 0 "[ . 1 . 2]" 1
713 1 23 GLU H 1 23 GLU HB3 3.790 . 4.170 3.599 3.571 3.612 . 0 0 "[ . 1 . 2]" 1
714 1 24 LEU H 1 24 LEU HB3 4.080 . 4.490 3.603 3.583 3.613 . 0 0 "[ . 1 . 2]" 1
715 1 26 GLU H 1 26 GLU HB3 3.640 . 4.000 3.499 2.533 3.630 . 0 0 "[ . 1 . 2]" 1
716 1 27 HIS H 1 27 HIS HB3 3.580 . 3.940 3.186 2.503 3.701 . 0 0 "[ . 1 . 2]" 1
717 1 28 TYR H 1 28 TYR HB3 4.130 . 4.540 3.689 3.620 3.819 . 0 0 "[ . 1 . 2]" 1
718 1 30 TRP H 1 30 TRP HB3 4.120 . 4.530 3.605 3.583 3.626 . 0 0 "[ . 1 . 2]" 1
719 1 31 GLU H 1 31 GLU HB3 3.670 . 4.040 3.550 2.585 3.624 . 0 0 "[ . 1 . 2]" 1
720 1 31 GLU HB3 1 32 GLU H 3.680 . 4.050 3.615 3.233 4.149 0.099 16 0 "[ . 1 . 2]" 1
721 1 33 LEU H 1 33 LEU HB3 3.830 . 4.210 3.604 3.593 3.613 . 0 0 "[ . 1 . 2]" 1
722 1 35 TYR H 1 35 TYR HB3 3.540 . 3.890 2.665 2.157 3.673 . 0 0 "[ . 1 . 2]" 1
723 1 36 MET H 1 36 MET HB3 4.090 . 4.500 3.611 3.593 3.638 . 0 0 "[ . 1 . 2]" 1
724 1 40 ASN H 1 40 ASN HB3 3.690 . 4.060 2.572 2.442 2.674 . 0 0 "[ . 1 . 2]" 1
725 1 43 LYS H 1 43 LYS HB3 3.810 . 4.190 3.367 2.578 3.771 . 0 0 "[ . 1 . 2]" 1
726 1 44 LYS H 1 44 LYS HB3 3.620 . 3.980 2.720 2.442 3.443 . 0 0 "[ . 1 . 2]" 1
727 1 49 LYS H 1 49 LYS HB3 3.570 . 3.930 3.044 2.428 3.636 . 0 0 "[ . 1 . 2]" 1
728 1 52 LEU H 1 52 LEU HB3 3.900 . 4.290 3.609 3.597 3.623 . 0 0 "[ . 1 . 2]" 1
729 1 52 LEU HB2 1 53 LYS H 4.030 . 4.430 2.628 2.403 2.764 . 0 0 "[ . 1 . 2]" 1
730 1 54 PHE H 1 54 PHE HB3 3.670 . 4.040 2.519 2.442 2.648 . 0 0 "[ . 1 . 2]" 1
731 1 55 LEU H 1 55 LEU HB3 4.150 . 4.570 3.599 3.590 3.613 . 0 0 "[ . 1 . 2]" 1
732 1 57 LYS H 1 57 LYS HB3 3.730 . 4.100 3.052 2.462 3.791 . 0 0 "[ . 1 . 2]" 1
733 1 59 ASP H 1 59 ASP HB3 3.710 . 4.080 3.177 2.449 3.629 . 0 0 "[ . 1 . 2]" 1
734 1 60 TRP H 1 60 TRP HB3 3.950 . 4.350 2.555 2.410 2.689 . 0 0 "[ . 1 . 2]" 1
735 1 62 ARG H 1 62 ARG HB3 3.760 . 4.140 2.842 2.360 3.616 . 0 0 "[ . 1 . 2]" 1
736 1 66 GLU H 1 66 GLU HB3 3.850 . 4.230 3.458 2.573 3.622 . 0 0 "[ . 1 . 2]" 1
737 1 69 TYR H 1 69 TYR HB2 3.670 . 4.040 2.506 2.425 2.684 . 0 0 "[ . 1 . 2]" 1
738 1 70 LEU H 1 70 LEU HB3 3.860 . 4.250 3.606 3.598 3.618 . 0 0 "[ . 1 . 2]" 1
739 1 71 LYS H 1 71 LYS QB 3.150 . 3.470 2.328 2.209 2.522 . 0 0 "[ . 1 . 2]" 1
740 1 72 LEU H 1 72 LEU HB2 3.500 . 3.850 2.564 2.444 2.695 . 0 0 "[ . 1 . 2]" 1
741 1 73 GLN H 1 73 GLN HB3 3.630 . 3.990 3.558 2.586 3.631 . 0 0 "[ . 1 . 2]" 1
742 1 74 ARG H 1 74 ARG QB 3.190 . 3.510 2.538 2.140 2.910 . 0 0 "[ . 1 . 2]" 1
743 1 75 HIS H 1 75 HIS HB3 3.470 . 3.820 2.758 2.421 3.659 . 0 0 "[ . 1 . 2]" 1
744 1 76 LYS H 1 76 LYS HB3 3.740 . 4.110 2.737 2.402 3.606 . 0 0 "[ . 1 . 2]" 1
745 1 77 GLU H 1 77 GLU HB3 3.740 . 4.110 3.121 2.470 3.661 . 0 0 "[ . 1 . 2]" 1
746 1 78 ARG H 1 78 ARG HB3 3.740 . 4.110 3.250 2.423 3.748 . 0 0 "[ . 1 . 2]" 1
747 1 79 ASN H 1 79 ASN HB3 3.780 . 4.160 3.258 2.538 3.784 . 0 0 "[ . 1 . 2]" 1
748 1 80 GLN H 1 80 GLN HB3 3.810 . 4.190 2.865 2.384 3.680 . 0 0 "[ . 1 . 2]" 1
749 1 81 LEU H 1 81 LEU HB3 3.930 . 4.320 3.470 2.708 4.084 . 0 0 "[ . 1 . 2]" 1
750 1 82 GLU H 1 82 GLU QB 3.290 . 3.620 2.717 2.399 3.100 . 0 0 "[ . 1 . 2]" 1
751 1 5 MET H 1 6 THR H 4.390 . 4.830 3.628 1.996 4.346 . 0 0 "[ . 1 . 2]" 1
752 1 12 LEU H 1 13 HIS H 3.560 . 3.920 2.814 1.842 4.040 0.120 20 0 "[ . 1 . 2]" 1
753 1 18 GLN H 1 19 LYS H 3.920 . 4.310 2.895 2.751 3.038 . 0 0 "[ . 1 . 2]" 1
754 1 21 LEU H 1 22 THR H 3.830 . 4.210 2.748 2.705 2.819 . 0 0 "[ . 1 . 2]" 1
755 1 23 GLU H 1 24 LEU H 2.810 . 3.090 2.780 2.709 2.915 . 0 0 "[ . 1 . 2]" 1
756 1 25 VAL H 1 26 GLU H 3.610 . 3.970 2.659 2.565 2.769 . 0 0 "[ . 1 . 2]" 1
757 1 26 GLU H 1 27 HIS H 3.640 . 4.000 2.678 2.465 2.879 . 0 0 "[ . 1 . 2]" 1
758 1 29 GLY H 1 30 TRP H 4.540 . 4.990 4.302 4.171 4.410 . 0 0 "[ . 1 . 2]" 1
759 1 32 GLU H 1 33 LEU H 3.730 . 4.100 2.634 2.194 2.970 . 0 0 "[ . 1 . 2]" 1
760 1 40 ASN H 1 41 CYS H 4.040 . 4.440 3.098 2.346 3.822 . 0 0 "[ . 1 . 2]" 1
761 1 44 LYS H 1 45 ASP H 4.640 . 5.100 3.984 1.804 4.562 . 0 0 "[ . 1 . 2]" 1
762 1 48 ILE H 1 49 LYS H 3.900 . 4.290 2.917 2.619 3.163 . 0 0 "[ . 1 . 2]" 1
763 1 49 LYS H 1 50 SER H 3.820 . 4.200 2.744 2.580 3.155 . 0 0 "[ . 1 . 2]" 1
764 1 52 LEU H 1 53 LYS H 3.750 . 4.130 2.847 2.755 2.997 . 0 0 "[ . 1 . 2]" 1
765 1 53 LYS H 1 54 PHE H 4.040 . 4.440 2.769 2.644 2.879 . 0 0 "[ . 1 . 2]" 1
766 1 55 LEU H 1 56 ARG H 3.870 . 4.260 2.714 2.613 2.814 . 0 0 "[ . 1 . 2]" 1
767 1 56 ARG H 1 57 LYS H 3.720 . 4.090 2.690 2.483 2.893 . 0 0 "[ . 1 . 2]" 1
768 1 58 THR H 1 59 ASP H 4.790 . 5.270 4.127 3.745 4.510 . 0 0 "[ . 1 . 2]" 1
769 1 59 ASP H 1 60 TRP H 4.180 . 4.600 2.842 2.387 3.141 . 0 0 "[ . 1 . 2]" 1
770 1 62 ARG H 1 63 GLU H 3.800 . 4.180 2.861 2.746 3.161 . 0 0 "[ . 1 . 2]" 1
771 1 65 VAL H 1 66 GLU H 3.740 . 4.110 2.840 2.684 2.986 . 0 0 "[ . 1 . 2]" 1
772 1 66 GLU H 1 67 ASN H 3.700 . 4.070 2.729 2.643 2.881 . 0 0 "[ . 1 . 2]" 1
773 1 67 ASN H 1 68 ILE H 3.630 . 3.990 2.734 2.611 2.863 . 0 0 "[ . 1 . 2]" 1
774 1 70 LEU H 1 71 LYS H 3.820 . 4.200 2.746 2.652 2.862 . 0 0 "[ . 1 . 2]" 1
775 1 71 LYS H 1 72 LEU H 3.500 . 3.850 2.724 2.605 2.822 . 0 0 "[ . 1 . 2]" 1
776 1 73 GLN H 1 74 ARG H 3.650 . 4.020 2.731 2.477 2.973 . 0 0 "[ . 1 . 2]" 1
777 1 74 ARG H 1 75 HIS H 3.590 . 3.950 2.560 2.289 2.691 . 0 0 "[ . 1 . 2]" 1
778 1 76 LYS H 1 77 GLU H 4.340 . 4.770 4.104 2.383 4.654 . 0 0 "[ . 1 . 2]" 1
779 1 80 GLN H 1 81 LEU H 4.160 . 4.580 3.915 2.217 4.574 . 0 0 "[ . 1 . 2]" 1
780 1 5 MET HA 1 6 THR H 3.490 . 3.840 2.507 2.173 3.506 . 0 0 "[ . 1 . 2]" 1
781 1 7 GLN HA 1 8 GLN H 3.260 . 3.590 2.465 2.161 3.591 0.001 10 0 "[ . 1 . 2]" 1
782 1 8 GLN HA 1 9 ASN H 3.200 . 3.520 2.470 2.132 3.575 0.055 19 0 "[ . 1 . 2]" 1
783 1 13 HIS HA 1 14 GLY H 3.250 . 3.580 2.904 2.160 3.582 0.002 9 0 "[ . 1 . 2]" 1
784 1 15 ILE HA 1 16 THR H 3.050 . 3.360 2.184 2.136 2.265 . 0 0 "[ . 1 . 2]" 1
785 1 16 THR HA 1 17 LEU H 3.280 . 3.610 2.429 2.216 2.612 . 0 0 "[ . 1 . 2]" 1
786 1 30 TRP HA 1 33 LEU H 4.370 . 4.810 3.508 3.070 3.806 . 0 0 "[ . 1 . 2]" 1
787 1 39 ILE HA 1 40 ASN H 3.310 . 3.640 2.277 2.143 2.391 . 0 0 "[ . 1 . 2]" 1
788 1 44 LYS HA 1 45 ASP H 3.080 . 3.390 2.389 2.145 3.537 0.147 4 0 "[ . 1 . 2]" 1
789 1 46 PRO HA 1 47 SER H 3.080 . 3.390 2.423 2.168 2.972 . 0 0 "[ . 1 . 2]" 1
790 1 58 THR HA 1 59 ASP H 3.140 . 3.450 2.213 2.104 2.366 . 0 0 "[ . 1 . 2]" 1
791 1 76 LYS HA 1 77 GLU H 3.220 . 3.540 2.346 2.161 3.315 . 0 0 "[ . 1 . 2]" 1
792 1 77 GLU HA 1 78 ARG H 3.240 . 3.560 2.758 2.157 3.574 0.014 7 0 "[ . 1 . 2]" 1
793 1 80 GLN HA 1 81 LEU H 3.550 . 3.900 2.573 2.164 3.499 . 0 0 "[ . 1 . 2]" 1
794 1 3 LEU H 1 3 LEU HG 4.430 . 4.870 3.310 1.787 4.404 0.013 5 0 "[ . 1 . 2]" 1
795 1 12 LEU H 1 12 LEU HG 3.940 . 4.330 3.157 2.125 4.307 . 0 0 "[ . 1 . 2]" 1
796 1 17 LEU H 1 17 LEU HG 4.370 . 4.810 4.510 4.478 4.534 . 0 0 "[ . 1 . 2]" 1
797 1 20 LEU H 1 20 LEU HG 4.610 . 5.070 4.436 4.415 4.459 . 0 0 "[ . 1 . 2]" 1
798 1 17 LEU HG 1 21 LEU H 4.930 . 5.420 4.253 4.077 4.493 . 0 0 "[ . 1 . 2]" 1
799 1 21 LEU H 1 21 LEU HG 5.250 . 5.780 4.501 4.487 4.516 . 0 0 "[ . 1 . 2]" 1
800 1 24 LEU H 1 24 LEU HG 3.340 . 3.670 2.312 2.155 2.489 . 0 0 "[ . 1 . 2]" 1
801 1 33 LEU H 1 33 LEU HB2 3.360 . 3.700 2.529 2.472 2.571 . 0 0 "[ . 1 . 2]" 1
802 1 33 LEU H 1 33 LEU HG 3.870 . 4.260 2.234 2.154 2.337 . 0 0 "[ . 1 . 2]" 1
803 1 52 LEU H 1 52 LEU HB2 3.900 . 4.290 2.525 2.486 2.580 . 0 0 "[ . 1 . 2]" 1
804 1 52 LEU H 1 52 LEU HG 3.700 . 4.070 2.262 2.160 2.362 . 0 0 "[ . 1 . 2]" 1
805 1 55 LEU H 1 55 LEU HG 3.670 . 4.040 2.237 2.106 2.317 . 0 0 "[ . 1 . 2]" 1
806 1 70 LEU H 1 70 LEU HG 3.480 . 3.830 2.209 2.133 2.267 . 0 0 "[ . 1 . 2]" 1
807 1 81 LEU H 1 81 LEU HG 3.270 . 3.600 2.805 1.836 3.701 0.101 13 0 "[ . 1 . 2]" 1
808 1 16 THR H 1 16 THR MG 3.310 . 3.640 2.236 2.055 2.453 . 0 0 "[ . 1 . 2]" 1
809 1 18 GLN H 1 18 GLN HG2 4.800 . 5.280 4.446 4.362 4.484 . 0 0 "[ . 1 . 2]" 1
810 1 22 THR H 1 22 THR MG 4.110 . 4.520 3.796 3.783 3.808 . 0 0 "[ . 1 . 2]" 1
811 1 23 GLU H 1 23 GLU HG2 3.820 . 4.200 2.688 1.988 3.561 . 0 0 "[ . 1 . 2]" 1
812 1 25 VAL H 1 25 VAL MG2 3.340 . 3.670 2.096 2.002 2.205 . 0 0 "[ . 1 . 2]" 1
813 1 26 GLU H 1 26 GLU HG2 3.990 . 4.390 2.811 2.100 4.268 . 0 0 "[ . 1 . 2]" 1
814 1 31 GLU H 1 31 GLU HG2 4.080 . 4.490 2.972 1.986 3.764 . 0 0 "[ . 1 . 2]" 1
815 1 32 GLU H 1 32 GLU HG2 4.240 . 4.660 2.980 2.144 4.546 . 0 0 "[ . 1 . 2]" 1
816 1 36 MET H 1 36 MET HG2 4.170 . 4.590 3.740 3.428 4.138 . 0 0 "[ . 1 . 2]" 1
817 1 37 VAL H 1 37 VAL MG2 3.740 . 4.110 2.472 2.146 2.827 . 0 0 "[ . 1 . 2]" 1
818 1 43 LYS H 1 43 LYS HG2 4.570 . 5.030 3.657 2.322 4.702 . 0 0 "[ . 1 . 2]" 1
819 1 48 ILE H 1 48 ILE MG 4.300 . 4.730 3.788 3.768 3.802 . 0 0 "[ . 1 . 2]" 1
820 1 49 LYS H 1 49 LYS HG2 4.900 . 5.390 3.712 2.074 4.601 . 0 0 "[ . 1 . 2]" 1
821 1 56 ARG H 1 56 ARG QB 3.180 . 3.500 2.463 2.344 2.679 . 0 0 "[ . 1 . 2]" 1
822 1 57 LYS H 1 57 LYS HG2 4.340 . 4.770 2.787 1.916 4.473 . 0 0 "[ . 1 . 2]" 1
823 1 58 THR H 1 58 THR MG 4.430 . 4.870 3.797 2.736 3.953 . 0 0 "[ . 1 . 2]" 1
824 1 62 ARG H 1 62 ARG HG2 5.010 . 5.510 4.030 2.444 4.575 . 0 0 "[ . 1 . 2]" 1
825 1 63 GLU H 1 63 GLU HG2 4.230 . 4.650 2.863 1.925 3.889 . 0 0 "[ . 1 . 2]" 1
826 1 64 ARG H 1 64 ARG HG2 3.680 . 4.050 3.038 2.218 4.029 . 0 0 "[ . 1 . 2]" 1
827 1 65 VAL H 1 65 VAL MG2 3.410 . 3.750 2.059 1.965 2.172 . 0 0 "[ . 1 . 2]" 1
828 1 66 GLU H 1 66 GLU HG2 3.930 . 4.320 2.935 1.857 3.473 . 0 0 "[ . 1 . 2]" 1
829 1 68 ILE H 1 68 ILE MG 3.990 . 4.390 3.787 3.766 3.799 . 0 0 "[ . 1 . 2]" 1
830 1 73 GLN H 1 73 GLN HG2 4.260 . 4.690 2.427 2.016 4.097 . 0 0 "[ . 1 . 2]" 1
831 1 74 ARG H 1 74 ARG HG2 4.000 . 4.400 2.557 1.849 4.410 0.010 18 0 "[ . 1 . 2]" 1
832 1 77 GLU H 1 77 GLU HG2 4.200 . 4.620 2.717 1.861 4.002 . 0 0 "[ . 1 . 2]" 1
833 1 82 GLU H 1 82 GLU HG2 4.150 . 4.570 2.925 1.820 4.026 . 0 0 "[ . 1 . 2]" 1
834 1 7 GLN QG 1 8 GLN H 4.820 . 5.300 3.788 2.362 4.749 . 0 0 "[ . 1 . 2]" 1
835 1 26 GLU H 1 26 GLU HG3 3.990 . 4.390 3.235 2.190 4.481 0.091 4 0 "[ . 1 . 2]" 1
836 1 31 GLU H 1 31 GLU HG3 4.080 . 4.490 2.899 1.919 3.710 . 0 0 "[ . 1 . 2]" 1
837 1 32 GLU H 1 32 GLU HG3 4.240 . 4.660 3.573 2.363 4.439 . 0 0 "[ . 1 . 2]" 1
838 1 36 MET H 1 36 MET HG3 4.170 . 4.590 2.682 2.209 3.664 . 0 0 "[ . 1 . 2]" 1
839 1 43 LYS H 1 43 LYS HG3 4.570 . 5.030 3.476 2.347 4.689 . 0 0 "[ . 1 . 2]" 1
840 1 49 LYS H 1 49 LYS HG3 4.900 . 5.390 3.673 1.908 4.612 . 0 0 "[ . 1 . 2]" 1
841 1 56 ARG H 1 56 ARG HG3 4.190 . 4.610 2.852 2.092 3.774 . 0 0 "[ . 1 . 2]" 1
842 1 57 LYS H 1 57 LYS HG3 4.340 . 4.770 3.088 2.144 4.673 . 0 0 "[ . 1 . 2]" 1
843 1 62 ARG H 1 62 ARG HG3 5.010 . 5.510 3.978 1.997 4.612 . 0 0 "[ . 1 . 2]" 1
844 1 63 GLU H 1 63 GLU HG3 4.230 . 4.650 2.755 2.029 3.701 . 0 0 "[ . 1 . 2]" 1
845 1 64 ARG H 1 64 ARG HG3 3.680 . 4.050 2.962 2.041 3.882 . 0 0 "[ . 1 . 2]" 1
846 1 66 GLU H 1 66 GLU HG3 3.930 . 4.320 2.522 2.096 3.409 . 0 0 "[ . 1 . 2]" 1
847 1 73 GLN H 1 73 GLN HB2 3.630 . 3.990 2.571 2.299 3.629 . 0 0 "[ . 1 . 2]" 1
848 1 74 ARG H 1 74 ARG HG3 4.000 . 4.400 3.287 2.055 4.444 0.044 18 0 "[ . 1 . 2]" 1
849 1 77 GLU H 1 77 GLU HG3 4.200 . 4.620 3.047 2.085 4.099 . 0 0 "[ . 1 . 2]" 1
850 1 80 GLN H 1 80 GLN QG 4.140 . 4.550 3.494 1.934 4.355 . 0 0 "[ . 1 . 2]" 1
851 1 82 GLU H 1 82 GLU HG3 4.150 . 4.570 2.805 1.931 3.906 . 0 0 "[ . 1 . 2]" 1
852 1 4 ILE H 1 4 ILE MD 4.850 . 5.330 3.924 3.022 4.950 . 0 0 "[ . 1 . 2]" 1
853 1 12 LEU H 1 12 LEU MD1 4.170 . 4.590 3.853 3.274 4.441 . 0 0 "[ . 1 . 2]" 1
854 1 15 ILE H 1 15 ILE MD 4.480 . 4.930 3.800 3.562 4.427 . 0 0 "[ . 1 . 2]" 1
855 1 17 LEU H 1 17 LEU MD1 4.350 . 4.790 4.083 4.045 4.140 . 0 0 "[ . 1 . 2]" 1
856 1 20 LEU H 1 20 LEU MD1 4.240 . 4.660 4.174 4.138 4.210 . 0 0 "[ . 1 . 2]" 1
857 1 17 LEU MD1 1 21 LEU H 4.050 . 4.460 3.493 3.179 3.809 . 0 0 "[ . 1 . 2]" 1
858 1 24 LEU H 1 24 LEU MD1 3.930 . 4.320 3.709 3.653 3.795 . 0 0 "[ . 1 . 2]" 1
859 1 28 TYR H 1 28 TYR QD 4.180 . 4.600 2.672 1.998 3.459 . 0 0 "[ . 1 . 2]" 1
860 1 30 TRP H 1 30 TRP HD1 4.150 . 4.570 2.773 2.413 3.054 . 0 0 "[ . 1 . 2]" 1
861 1 33 LEU H 1 33 LEU MD1 4.370 . 4.810 3.642 3.593 3.705 . 0 0 "[ . 1 . 2]" 1
862 1 35 TYR H 1 35 TYR QD 4.430 . 4.870 4.011 2.176 4.270 . 0 0 "[ . 1 . 2]" 1
863 1 48 ILE H 1 48 ILE MD 4.440 . 4.880 3.163 2.913 3.395 . 0 0 "[ . 1 . 2]" 1
864 1 52 LEU H 1 52 LEU MD1 4.170 . 4.590 3.658 3.578 3.715 . 0 0 "[ . 1 . 2]" 1
865 1 55 LEU H 1 55 LEU MD1 4.100 . 4.510 3.648 3.584 3.695 . 0 0 "[ . 1 . 2]" 1
866 1 60 TRP H 1 60 TRP HD1 3.830 . 4.210 2.383 2.035 2.693 . 0 0 "[ . 1 . 2]" 1
867 1 70 LEU H 1 70 LEU MD1 3.860 . 4.250 3.643 3.592 3.681 . 0 0 "[ . 1 . 2]" 1
868 1 12 LEU H 1 12 LEU MD2 4.150 . 4.570 2.327 1.690 3.674 0.110 19 0 "[ . 1 . 2]" 1
869 1 17 LEU H 1 17 LEU MD2 4.450 . 4.890 4.267 4.246 4.295 . 0 0 "[ . 1 . 2]" 1
870 1 20 LEU H 1 20 LEU MD2 4.300 . 4.730 4.218 4.190 4.237 . 0 0 "[ . 1 . 2]" 1
871 1 21 LEU H 1 21 LEU MD2 4.460 . 4.910 4.269 4.248 4.290 . 0 0 "[ . 1 . 2]" 1
872 1 24 LEU H 1 24 LEU MD2 3.900 . 4.290 3.198 3.026 3.375 . 0 0 "[ . 1 . 2]" 1
873 1 33 LEU H 1 33 LEU MD2 4.460 . 4.910 3.206 3.029 3.341 . 0 0 "[ . 1 . 2]" 1
874 1 42 PHE H 1 43 LYS H 3.410 . 3.750 2.525 2.213 2.835 . 0 0 "[ . 1 . 2]" 1
875 1 52 LEU H 1 52 LEU MD2 4.180 . 4.600 3.226 3.014 3.336 . 0 0 "[ . 1 . 2]" 1
876 1 54 PHE H 1 54 PHE QD 4.440 . 4.880 4.219 4.193 4.271 . 0 0 "[ . 1 . 2]" 1
877 1 55 LEU H 1 55 LEU MD2 4.420 . 4.860 3.198 3.091 3.303 . 0 0 "[ . 1 . 2]" 1
878 1 69 TYR H 1 69 TYR QD 4.340 . 4.770 4.204 4.173 4.242 . 0 0 "[ . 1 . 2]" 1
879 1 70 LEU H 1 70 LEU MD2 3.840 . 4.220 3.170 3.052 3.276 . 0 0 "[ . 1 . 2]" 1
880 1 56 ARG H 1 56 ARG HD2 5.500 . 6.050 4.427 3.625 4.849 . 0 0 "[ . 1 . 2]" 1
881 1 56 ARG H 1 56 ARG HD3 5.500 . 6.050 4.329 3.133 5.018 . 0 0 "[ . 1 . 2]" 1
882 1 56 ARG HG3 1 57 LYS H 5.130 . 5.640 4.013 1.918 5.001 . 0 0 "[ . 1 . 2]" 1
883 1 74 ARG H 1 74 ARG QD 4.700 . 5.170 3.834 2.967 4.887 . 0 0 "[ . 1 . 2]" 1
884 1 4 ILE H 1 4 ILE HG12 4.630 . 5.090 3.231 1.811 4.547 . 0 0 "[ . 1 . 2]" 1
885 1 15 ILE H 1 15 ILE HG12 4.190 . 4.610 3.593 3.229 4.251 . 0 0 "[ . 1 . 2]" 1
886 1 39 ILE H 1 39 ILE HG12 4.020 . 4.420 2.267 1.947 2.468 . 0 0 "[ . 1 . 2]" 1
887 1 48 ILE H 1 48 ILE HG12 3.950 . 4.350 2.060 1.897 2.241 . 0 0 "[ . 1 . 2]" 1
888 1 68 ILE H 1 68 ILE HG12 3.920 . 4.310 3.400 3.253 3.677 . 0 0 "[ . 1 . 2]" 1
889 1 4 ILE H 1 4 ILE HG13 4.630 . 5.090 3.401 2.093 4.832 . 0 0 "[ . 1 . 2]" 1
890 1 15 ILE H 1 15 ILE HG13 3.940 . 4.330 2.438 2.040 3.325 . 0 0 "[ . 1 . 2]" 1
891 1 39 ILE H 1 39 ILE HG13 4.020 . 4.420 3.026 2.876 3.308 . 0 0 "[ . 1 . 2]" 1
892 1 48 ILE H 1 48 ILE HG13 3.950 . 4.350 3.560 3.469 3.692 . 0 0 "[ . 1 . 2]" 1
893 1 68 ILE H 1 68 ILE HG13 3.920 . 4.310 2.139 1.983 2.478 . 0 0 "[ . 1 . 2]" 1
894 1 36 MET H 1 36 MET ME 4.920 . 5.410 3.360 2.925 4.252 . 0 0 "[ . 1 . 2]" 1
895 1 25 VAL H 1 25 VAL MG1 4.110 . 4.520 3.786 3.771 3.796 . 0 0 "[ . 1 . 2]" 1
896 1 37 VAL H 1 37 VAL MG1 4.040 . 4.440 3.877 3.809 3.951 . 0 0 "[ . 1 . 2]" 1
897 1 37 VAL MG2 1 65 VAL H 4.200 . 4.620 3.533 3.128 4.092 . 0 0 "[ . 1 . 2]" 1
898 1 54 PHE QD 1 55 LEU H 4.490 . 4.940 3.583 3.145 3.876 . 0 0 "[ . 1 . 2]" 1
899 1 52 LEU HA 1 55 LEU H 4.350 . 4.790 3.286 3.080 3.515 . 0 0 "[ . 1 . 2]" 1
900 1 54 PHE HB2 1 55 LEU H 4.390 . 4.830 3.881 3.783 3.972 . 0 0 "[ . 1 . 2]" 1
901 1 54 PHE HB3 1 55 LEU H 4.390 . 4.830 2.610 2.435 2.723 . 0 0 "[ . 1 . 2]" 1
902 1 39 ILE HB 1 40 ASN H 4.000 . 4.400 2.783 2.418 3.250 . 0 0 "[ . 1 . 2]" 1
903 1 39 ILE MG 1 40 ASN H 4.280 . 4.710 3.740 3.526 3.904 . 0 0 "[ . 1 . 2]" 1
904 1 49 LYS HA 1 52 LEU H 3.990 . 4.390 3.585 3.073 4.144 . 0 0 "[ . 1 . 2]" 1
905 1 21 LEU MD2 1 52 LEU H 4.450 . 4.890 3.544 3.109 4.040 . 0 0 "[ . 1 . 2]" 1
906 1 45 ASP H 1 46 PRO HD2 3.920 . 4.310 3.557 2.949 4.418 0.108 11 0 "[ . 1 . 2]" 1
907 1 45 ASP H 1 46 PRO HD3 3.920 . 4.310 2.586 2.028 3.261 . 0 0 "[ . 1 . 2]" 1
908 1 44 LYS HB2 1 45 ASP H 4.900 . 5.390 4.176 3.165 4.635 . 0 0 "[ . 1 . 2]" 1
909 1 44 LYS HG2 1 45 ASP H 4.990 . 5.490 3.776 2.185 5.363 . 0 0 "[ . 1 . 2]" 1
910 1 48 ILE MG 1 49 LYS H 3.980 . 4.380 3.203 2.849 3.483 . 0 0 "[ . 1 . 2]" 1
911 1 48 ILE HB 1 49 LYS H 3.560 . 3.920 2.381 2.108 2.707 . 0 0 "[ . 1 . 2]" 1
912 1 47 SER HB2 1 49 LYS H 4.310 . 4.740 4.482 3.873 4.844 0.104 5 0 "[ . 1 . 2]" 1
913 1 16 THR MG 1 17 LEU H 4.110 . 4.520 3.748 3.643 3.851 . 0 0 "[ . 1 . 2]" 1
914 1 16 THR HB 1 17 LEU H 3.710 . 4.080 2.394 2.101 2.850 . 0 0 "[ . 1 . 2]" 1
915 1 17 LEU H 1 18 GLN H 3.790 . 4.170 2.806 2.656 3.002 . 0 0 "[ . 1 . 2]" 1
916 1 20 LEU HB2 1 21 LEU H 4.010 . 4.410 3.689 3.638 3.742 . 0 0 "[ . 1 . 2]" 1
917 1 20 LEU MD2 1 21 LEU H 4.070 . 4.480 2.931 2.847 3.090 . 0 0 "[ . 1 . 2]" 1
918 1 17 LEU HA 1 21 LEU H 4.620 . 5.080 3.727 3.505 3.960 . 0 0 "[ . 1 . 2]" 1
919 1 60 TRP H 1 61 ALA H 3.920 . 4.310 2.768 2.642 2.967 . 0 0 "[ . 1 . 2]" 1
920 1 59 ASP HB2 1 60 TRP H 3.900 . 4.290 2.994 2.045 3.988 . 0 0 "[ . 1 . 2]" 1
921 1 58 THR MG 1 60 TRP H 4.170 . 4.590 3.185 2.587 4.630 0.040 6 0 "[ . 1 . 2]" 1
922 1 59 ASP HB3 1 60 TRP H 3.900 . 4.290 3.146 2.252 3.986 . 0 0 "[ . 1 . 2]" 1
923 1 69 TYR HB2 1 70 LEU H 4.410 . 4.850 3.865 3.727 3.999 . 0 0 "[ . 1 . 2]" 1
924 1 69 TYR HB3 1 70 LEU H 4.070 . 4.480 2.606 2.430 2.748 . 0 0 "[ . 1 . 2]" 1
925 1 69 TYR QD 1 70 LEU H 4.440 . 4.880 3.738 3.227 4.003 . 0 0 "[ . 1 . 2]" 1
926 1 28 TYR H 1 29 GLY H 3.520 . 3.870 2.574 2.237 2.780 . 0 0 "[ . 1 . 2]" 1
927 1 27 HIS HB2 1 28 TYR H 4.170 . 4.590 3.249 2.381 4.135 . 0 0 "[ . 1 . 2]" 1
928 1 25 VAL HA 1 28 TYR H 3.930 . 4.320 4.042 3.621 4.343 0.023 14 0 "[ . 1 . 2]" 1
929 1 27 HIS HB3 1 28 TYR H 4.170 . 4.590 3.170 2.186 4.142 . 0 0 "[ . 1 . 2]" 1
930 1 16 THR HB 1 18 GLN H 3.850 . 4.230 2.956 2.652 3.421 . 0 0 "[ . 1 . 2]" 1
931 1 16 THR HA 1 18 GLN H 4.670 . 5.140 4.349 4.067 4.644 . 0 0 "[ . 1 . 2]" 1
932 1 17 LEU HB3 1 18 GLN H 3.900 . 4.290 2.761 2.523 2.936 . 0 0 "[ . 1 . 2]" 1
933 1 16 THR MG 1 18 GLN H 4.520 . 4.970 4.355 4.164 4.732 . 0 0 "[ . 1 . 2]" 1
934 1 18 GLN H 1 52 LEU MD2 4.060 . 4.470 3.757 3.256 4.292 . 0 0 "[ . 1 . 2]" 1
935 1 33 LEU HB2 1 34 SER H 4.020 . 4.420 2.616 2.387 2.844 . 0 0 "[ . 1 . 2]" 1
936 1 33 LEU HB3 1 34 SER H 4.300 . 4.730 3.651 3.405 3.874 . 0 0 "[ . 1 . 2]" 1
937 1 34 SER H 1 35 TYR H 3.970 . 4.370 2.606 2.499 2.668 . 0 0 "[ . 1 . 2]" 1
938 1 65 VAL HB 1 66 GLU H 3.770 . 4.150 2.448 2.327 2.585 . 0 0 "[ . 1 . 2]" 1
939 1 65 VAL MG2 1 66 GLU H 4.160 . 4.580 3.806 3.723 3.896 . 0 0 "[ . 1 . 2]" 1
940 1 65 VAL MG1 1 66 GLU H 4.030 . 4.430 3.248 3.057 3.384 . 0 0 "[ . 1 . 2]" 1
941 1 20 LEU MD1 1 66 GLU H 4.830 . 5.310 4.324 4.144 4.654 . 0 0 "[ . 1 . 2]" 1
942 1 24 LEU HB2 1 25 VAL H 4.270 . 4.700 2.632 2.508 2.744 . 0 0 "[ . 1 . 2]" 1
943 1 24 LEU HB3 1 25 VAL H 4.270 . 4.700 3.636 3.501 3.737 . 0 0 "[ . 1 . 2]" 1
944 1 22 THR HA 1 25 VAL H 4.530 . 4.980 3.515 3.400 3.788 . 0 0 "[ . 1 . 2]" 1
945 1 21 LEU HA 1 25 VAL H 4.820 . 5.300 4.216 4.078 4.472 . 0 0 "[ . 1 . 2]" 1
946 1 24 LEU MD1 1 25 VAL H 4.850 . 5.330 4.599 4.479 4.700 . 0 0 "[ . 1 . 2]" 1
947 1 21 LEU MD1 1 25 VAL H 4.690 . 5.160 3.974 3.837 4.236 . 0 0 "[ . 1 . 2]" 1
948 1 5 MET H 1 5 MET HG2 4.970 . 5.470 3.683 1.970 4.780 . 0 0 "[ . 1 . 2]" 1
949 1 5 MET H 1 5 MET HG3 4.970 . 5.470 3.708 2.262 4.800 . 0 0 "[ . 1 . 2]" 1
950 1 31 GLU H 1 32 GLU H 3.750 . 4.130 2.805 2.655 3.056 . 0 0 "[ . 1 . 2]" 1
951 1 30 TRP HB2 1 31 GLU H 4.340 . 4.770 2.697 2.418 3.078 . 0 0 "[ . 1 . 2]" 1
952 1 30 TRP HB3 1 31 GLU H 4.340 . 4.770 3.665 3.374 3.975 . 0 0 "[ . 1 . 2]" 1
953 1 13 HIS HB2 1 14 GLY H 4.820 . 5.300 4.284 3.799 4.661 . 0 0 "[ . 1 . 2]" 1
954 1 14 GLY H 1 15 ILE H 3.610 . 3.970 3.271 2.549 4.077 0.107 18 0 "[ . 1 . 2]" 1
955 1 36 MET HB2 1 37 VAL H 4.150 . 4.570 2.646 2.216 3.314 . 0 0 "[ . 1 . 2]" 1
956 1 36 MET HB3 1 37 VAL H 4.380 . 4.820 3.548 3.150 3.989 . 0 0 "[ . 1 . 2]" 1
957 1 37 VAL H 1 38 ASN H 4.550 . 5.010 3.984 2.497 4.613 . 0 0 "[ . 1 . 2]" 1
958 1 62 ARG HB3 1 63 GLU H 4.030 . 4.430 2.698 2.222 3.644 . 0 0 "[ . 1 . 2]" 1
959 1 63 GLU H 1 64 ARG H 3.810 . 4.190 2.838 2.716 3.041 . 0 0 "[ . 1 . 2]" 1
960 1 8 GLN HB2 1 9 ASN H 4.580 . 5.040 4.096 2.781 4.648 . 0 0 "[ . 1 . 2]" 1
961 1 8 GLN HB3 1 9 ASN H 4.580 . 5.040 3.983 2.328 4.517 . 0 0 "[ . 1 . 2]" 1
962 1 53 LYS HA 1 56 ARG H 4.320 . 4.750 3.872 3.390 4.411 . 0 0 "[ . 1 . 2]" 1
963 1 55 LEU HB2 1 56 ARG H 4.570 . 5.030 2.863 2.631 3.281 . 0 0 "[ . 1 . 2]" 1
964 1 55 LEU HB3 1 56 ARG H 4.570 . 5.030 3.842 3.683 4.111 . 0 0 "[ . 1 . 2]" 1
965 1 17 LEU MD2 1 56 ARG H 4.760 . 5.240 4.336 3.787 5.148 . 0 0 "[ . 1 . 2]" 1
966 1 55 LEU MD1 1 56 ARG H 4.750 . 5.220 4.753 4.574 5.072 . 0 0 "[ . 1 . 2]" 1
967 1 50 SER H 1 51 SER H 3.660 . 4.030 2.743 2.597 2.859 . 0 0 "[ . 1 . 2]" 1
968 1 49 LYS HB2 1 50 SER H 3.940 . 4.330 3.304 2.560 4.052 . 0 0 "[ . 1 . 2]" 1
969 1 49 LYS HB3 1 50 SER H 3.940 . 4.330 3.137 2.193 3.980 . 0 0 "[ . 1 . 2]" 1
970 1 54 PHE HA 1 57 LYS H 4.700 . 5.170 3.667 3.342 4.049 . 0 0 "[ . 1 . 2]" 1
971 1 57 LYS H 1 58 THR H 3.400 . 3.740 2.348 1.986 2.694 . 0 0 "[ . 1 . 2]" 1
972 1 55 LEU HA 1 58 THR H 4.340 . 4.770 3.399 3.134 3.834 . 0 0 "[ . 1 . 2]" 1
973 1 57 LYS HB2 1 58 THR H 4.280 . 4.710 3.590 2.216 4.364 . 0 0 "[ . 1 . 2]" 1
974 1 53 LYS H 1 53 LYS QD 4.570 . 5.030 3.971 2.120 4.701 . 0 0 "[ . 1 . 2]" 1
975 1 40 ASN HA 1 43 LYS H 4.320 . 4.750 3.518 2.860 4.258 . 0 0 "[ . 1 . 2]" 1
976 1 52 LEU HA 1 54 PHE H 4.460 . 4.910 4.178 3.787 4.530 . 0 0 "[ . 1 . 2]" 1
977 1 53 LYS QB 1 54 PHE H 3.530 . 3.880 2.877 2.504 3.527 . 0 0 "[ . 1 . 2]" 1
978 1 54 PHE H 1 56 ARG H 4.930 . 5.420 3.983 3.669 4.187 . 0 0 "[ . 1 . 2]" 1
979 1 54 PHE H 1 55 LEU H 3.760 . 4.140 2.488 2.221 2.744 . 0 0 "[ . 1 . 2]" 1
980 1 32 GLU HA 1 35 TYR H 4.130 . 4.540 3.382 3.038 3.649 . 0 0 "[ . 1 . 2]" 1
981 1 33 LEU HA 1 35 TYR H 4.990 . 5.490 4.028 3.684 4.309 . 0 0 "[ . 1 . 2]" 1
982 1 35 TYR H 1 36 MET HB2 4.960 . 5.460 4.651 4.341 4.862 . 0 0 "[ . 1 . 2]" 1
983 1 35 TYR H 1 36 MET H 3.530 . 3.880 2.520 2.311 2.696 . 0 0 "[ . 1 . 2]" 1
984 1 35 TYR H 1 37 VAL H 4.720 . 5.190 3.995 3.643 4.452 . 0 0 "[ . 1 . 2]" 1
985 1 16 THR H 1 19 LYS HB2 4.620 . 5.080 3.904 2.990 4.675 . 0 0 "[ . 1 . 2]" 1
986 1 15 ILE HG12 1 16 THR H 4.480 . 4.930 4.344 4.120 4.652 . 0 0 "[ . 1 . 2]" 1
987 1 28 TYR HB2 1 29 GLY H 4.680 . 5.150 2.194 2.006 2.610 . 0 0 "[ . 1 . 2]" 1
988 1 25 VAL HA 1 29 GLY H 3.730 . 4.100 2.502 2.261 2.874 . 0 0 "[ . 1 . 2]" 1
989 1 28 TYR HB3 1 29 GLY H 4.680 . 5.150 3.164 2.850 3.543 . 0 0 "[ . 1 . 2]" 1
990 1 25 VAL MG1 1 29 GLY H 4.640 . 5.100 4.126 3.872 4.495 . 0 0 "[ . 1 . 2]" 1
991 1 71 LYS HA 1 74 ARG H 4.290 . 4.720 3.571 2.936 3.980 . 0 0 "[ . 1 . 2]" 1
992 1 73 GLN HB2 1 74 ARG H 4.570 . 5.030 2.836 2.514 4.327 . 0 0 "[ . 1 . 2]" 1
993 1 71 LYS QB 1 72 LEU H 3.650 . 4.020 2.665 2.419 2.949 . 0 0 "[ . 1 . 2]" 1
994 1 68 ILE MG 1 72 LEU H 4.870 . 5.360 4.118 3.877 4.517 . 0 0 "[ . 1 . 2]" 1
995 1 72 LEU H 1 73 GLN H 3.450 . 3.790 2.690 2.528 2.874 . 0 0 "[ . 1 . 2]" 1
996 1 39 ILE H 1 39 ILE MD 4.780 . 5.260 3.896 3.597 4.065 . 0 0 "[ . 1 . 2]" 1
997 1 28 TYR HB2 1 33 LEU H 4.860 . 5.350 4.492 4.078 4.808 . 0 0 "[ . 1 . 2]" 1
998 1 28 TYR HB3 1 33 LEU H 4.860 . 5.350 4.058 3.518 4.443 . 0 0 "[ . 1 . 2]" 1
999 1 32 GLU HG2 1 33 LEU H 5.500 . 6.050 4.477 2.957 5.124 . 0 0 "[ . 1 . 2]" 1
1000 1 32 GLU HG3 1 33 LEU H 5.500 . 6.050 4.779 2.706 5.191 . 0 0 "[ . 1 . 2]" 1
1001 1 32 GLU HB2 1 33 LEU H 4.110 . 4.520 2.763 2.308 3.986 . 0 0 "[ . 1 . 2]" 1
1002 1 32 GLU HB3 1 33 LEU H 4.110 . 4.520 3.550 2.532 4.133 . 0 0 "[ . 1 . 2]" 1
1003 1 33 LEU H 1 34 SER H 3.770 . 4.150 2.739 2.594 2.884 . 0 0 "[ . 1 . 2]" 1
1004 1 55 LEU MD2 1 62 ARG H 4.410 . 4.850 3.341 2.513 4.303 . 0 0 "[ . 1 . 2]" 1
1005 1 61 ALA MB 1 62 ARG H 3.770 . 4.150 2.476 2.358 2.613 . 0 0 "[ . 1 . 2]" 1
1006 1 59 ASP HA 1 62 ARG H 4.650 . 5.120 3.576 3.051 4.542 . 0 0 "[ . 1 . 2]" 1
1007 1 23 GLU HA 1 27 HIS H 4.490 . 4.940 4.022 3.747 4.299 . 0 0 "[ . 1 . 2]" 1
1008 1 26 GLU HB2 1 27 HIS H 3.910 . 4.300 2.822 2.405 4.197 . 0 0 "[ . 1 . 2]" 1
1009 1 27 HIS H 1 28 TYR H 3.730 . 4.100 2.487 2.097 2.729 . 0 0 "[ . 1 . 2]" 1
1010 1 33 LEU HA 1 36 MET H 4.570 . 5.030 3.493 3.031 3.776 . 0 0 "[ . 1 . 2]" 1
1011 1 35 TYR HB2 1 36 MET H 4.280 . 4.710 3.697 2.495 4.092 . 0 0 "[ . 1 . 2]" 1
1012 1 36 MET H 1 37 VAL H 3.680 . 4.050 2.615 2.386 2.906 . 0 0 "[ . 1 . 2]" 1
1013 1 72 LEU HB3 1 73 GLN H 3.450 . 3.790 2.582 2.247 2.828 . 0 0 "[ . 1 . 2]" 1
1014 1 72 LEU HB2 1 73 GLN H 4.200 . 4.620 3.893 3.695 4.015 . 0 0 "[ . 1 . 2]" 1
1015 1 30 TRP H 1 31 GLU H 3.900 . 4.290 2.805 2.641 3.002 . 0 0 "[ . 1 . 2]" 1
1016 1 25 VAL MG1 1 30 TRP H 4.310 . 4.740 3.180 2.749 3.709 . 0 0 "[ . 1 . 2]" 1
1017 1 74 ARG QB 1 75 HIS H 3.710 . 4.080 3.368 2.465 3.974 . 0 0 "[ . 1 . 2]" 1
1018 1 13 HIS H 1 14 GLY H 4.160 . 4.580 3.282 2.171 4.408 . 0 0 "[ . 1 . 2]" 1
1019 1 19 LYS HA 1 22 THR H 4.440 . 4.880 3.425 3.092 3.830 . 0 0 "[ . 1 . 2]" 1
1020 1 40 ASN HB2 1 41 CYS H 4.680 . 5.150 4.382 3.972 4.654 . 0 0 "[ . 1 . 2]" 1
1021 1 21 LEU HB2 1 22 THR H 4.010 . 4.410 3.894 3.824 3.979 . 0 0 "[ . 1 . 2]" 1
1022 1 21 LEU HG 1 22 THR H 4.700 . 5.170 3.817 3.644 4.010 . 0 0 "[ . 1 . 2]" 1
1023 1 21 LEU HB3 1 22 THR H 4.010 . 4.410 2.612 2.478 2.780 . 0 0 "[ . 1 . 2]" 1
1024 1 22 THR H 1 48 ILE MD 4.260 . 4.690 3.749 3.182 4.719 0.029 15 0 "[ . 1 . 2]" 1
1025 1 39 ILE MG 1 41 CYS H 4.740 . 5.210 4.620 4.062 5.250 0.040 7 0 "[ . 1 . 2]" 1
1026 1 39 ILE HA 1 41 CYS H 4.560 . 5.020 4.257 3.689 5.001 . 0 0 "[ . 1 . 2]" 1
1027 1 41 CYS H 1 42 PHE H 3.850 . 4.230 2.631 1.809 3.081 . 0 0 "[ . 1 . 2]" 1
1028 1 22 THR H 1 23 GLU H 3.680 . 4.050 2.905 2.813 2.980 . 0 0 "[ . 1 . 2]" 1
1029 1 62 ARG HA 1 65 VAL H 4.460 . 4.910 3.537 3.156 3.930 . 0 0 "[ . 1 . 2]" 1
1030 1 55 LEU MD2 1 65 VAL H 4.960 . 5.460 4.362 3.950 4.830 . 0 0 "[ . 1 . 2]" 1
1031 1 65 VAL H 1 68 ILE MD 4.990 . 5.490 4.346 3.958 4.639 . 0 0 "[ . 1 . 2]" 1
1032 1 11 PRO HD2 1 12 LEU H 4.690 . 5.160 2.882 2.140 3.286 . 0 0 "[ . 1 . 2]" 1
1033 1 11 PRO HD3 1 12 LEU H 4.690 . 5.160 3.987 3.556 4.219 . 0 0 "[ . 1 . 2]" 1
1034 1 11 PRO HG3 1 12 LEU H 4.730 . 5.200 4.161 3.562 4.904 . 0 0 "[ . 1 . 2]" 1
1035 1 10 ASN HA 1 12 LEU H 4.750 . 5.220 3.733 3.209 4.695 . 0 0 "[ . 1 . 2]" 1
1036 1 24 LEU H 1 25 VAL H 3.680 . 4.050 2.711 2.622 2.795 . 0 0 "[ . 1 . 2]" 1
1037 1 80 GLN QG 1 81 LEU H 4.880 . 5.370 2.941 1.826 4.376 . 0 0 "[ . 1 . 2]" 1
1038 1 80 GLN HB2 1 81 LEU H 4.360 . 4.800 3.799 1.963 4.581 . 0 0 "[ . 1 . 2]" 1
1039 1 80 GLN HB3 1 81 LEU H 4.360 . 4.800 3.992 2.884 4.513 . 0 0 "[ . 1 . 2]" 1
1040 1 67 ASN HB2 1 68 ILE H 4.210 . 4.630 3.801 2.962 3.970 . 0 0 "[ . 1 . 2]" 1
1041 1 67 ASN HB3 1 68 ILE H 4.210 . 4.630 2.724 2.497 3.827 . 0 0 "[ . 1 . 2]" 1
1042 1 81 LEU HB2 1 82 GLU H 4.440 . 4.880 3.476 2.239 4.499 . 0 0 "[ . 1 . 2]" 1
1043 1 81 LEU HG 1 82 GLU H 5.090 . 5.600 4.534 3.566 5.350 . 0 0 "[ . 1 . 2]" 1
1044 1 81 LEU HB3 1 82 GLU H 4.440 . 4.880 3.156 1.838 4.454 . 0 0 "[ . 1 . 2]" 1
1045 1 66 GLU HA 1 69 TYR H 4.290 . 4.720 3.338 2.886 3.816 . 0 0 "[ . 1 . 2]" 1
1046 1 20 LEU MD1 1 69 TYR H 4.500 . 4.950 4.335 4.072 4.649 . 0 0 "[ . 1 . 2]" 1
1047 1 69 TYR H 1 70 LEU H 3.750 . 4.130 2.714 2.613 2.814 . 0 0 "[ . 1 . 2]" 1
1048 1 20 LEU HA 1 23 GLU H 4.800 . 5.280 3.773 3.450 3.953 . 0 0 "[ . 1 . 2]" 1
1049 1 5 MET HB2 1 6 THR H 4.860 . 5.350 4.345 3.704 4.599 . 0 0 "[ . 1 . 2]" 1
1050 1 6 THR H 1 7 GLN H 4.170 . 4.590 3.879 2.423 4.509 . 0 0 "[ . 1 . 2]" 1
1051 1 75 HIS HB3 1 76 LYS H 4.320 . 4.750 3.278 2.692 4.220 . 0 0 "[ . 1 . 2]" 1
1052 1 75 HIS HB2 1 76 LYS H 4.320 . 4.750 3.970 3.191 4.351 . 0 0 "[ . 1 . 2]" 1
1053 1 25 VAL HB 1 26 GLU H 3.650 . 4.020 2.677 2.522 2.850 . 0 0 "[ . 1 . 2]" 1
1054 1 25 VAL MG1 1 26 GLU H 4.170 . 4.590 3.487 3.256 3.665 . 0 0 "[ . 1 . 2]" 1
1055 1 25 VAL MG2 1 26 GLU H 4.400 . 4.840 3.859 3.795 3.941 . 0 0 "[ . 1 . 2]" 1
1056 1 17 LEU HA 1 20 LEU H 4.220 . 4.640 3.559 3.396 3.725 . 0 0 "[ . 1 . 2]" 1
1057 1 15 ILE MG 1 20 LEU H 3.940 . 4.330 2.641 2.423 2.785 . 0 0 "[ . 1 . 2]" 1
1058 1 20 LEU H 1 21 LEU H 3.750 . 4.130 2.910 2.787 2.982 . 0 0 "[ . 1 . 2]" 1
1059 1 64 ARG HA 1 67 ASN H 4.450 . 4.890 3.496 3.232 3.979 . 0 0 "[ . 1 . 2]" 1
1060 1 63 GLU HA 1 67 ASN H 4.950 . 5.440 4.017 3.624 4.348 . 0 0 "[ . 1 . 2]" 1
1061 1 65 VAL HA 1 67 ASN H 4.980 . 5.480 4.440 4.263 4.777 . 0 0 "[ . 1 . 2]" 1
1062 1 66 GLU HB2 1 67 ASN H 3.900 . 4.290 2.824 2.333 3.960 . 0 0 "[ . 1 . 2]" 1
1063 1 66 GLU HG3 1 67 ASN H 5.130 . 5.640 4.087 2.465 4.678 . 0 0 "[ . 1 . 2]" 1
1064 1 10 ASN H 1 11 PRO HD2 5.500 . 6.050 4.321 2.777 5.216 . 0 0 "[ . 1 . 2]" 1
1065 1 10 ASN H 1 11 PRO HD3 5.500 . 6.050 3.886 2.462 4.991 . 0 0 "[ . 1 . 2]" 1
1066 1 3 LEU QB 1 4 ILE H 4.630 . 5.090 3.210 2.154 4.023 . 0 0 "[ . 1 . 2]" 1
1067 1 76 LYS HB2 1 77 GLU H 4.680 . 5.150 4.335 2.586 4.643 . 0 0 "[ . 1 . 2]" 1
1068 1 78 ARG HB2 1 79 ASN H 4.020 . 4.420 4.017 2.553 4.553 0.133 5 0 "[ . 1 . 2]" 1
1069 1 78 ARG HG2 1 79 ASN H 5.500 . 6.050 4.532 2.776 5.597 . 0 0 "[ . 1 . 2]" 1
1070 1 78 ARG HG3 1 79 ASN H 5.500 . 6.050 4.564 2.229 5.680 . 0 0 "[ . 1 . 2]" 1
1071 1 32 GLU H 1 33 LEU HB2 5.290 . 5.820 4.805 4.340 5.010 . 0 0 "[ . 1 . 2]" 1
1072 1 32 GLU H 1 36 MET ME 5.500 . 6.050 4.999 4.510 5.395 . 0 0 "[ . 1 . 2]" 1
1073 1 38 ASN H 1 39 ILE H 4.920 . 5.410 3.797 2.508 4.081 . 0 0 "[ . 1 . 2]" 1
1074 1 37 VAL MG2 1 38 ASN H 4.410 . 4.850 4.282 3.898 4.355 . 0 0 "[ . 1 . 2]" 1
1075 1 37 VAL MG1 1 38 ASN H 4.290 . 4.720 3.314 1.913 3.980 . 0 0 "[ . 1 . 2]" 1
1076 1 21 LEU H 1 52 LEU MD2 5.150 . 5.670 4.304 3.568 4.957 . 0 0 "[ . 1 . 2]" 1
1077 1 17 LEU MD2 1 18 GLN H 4.840 . 5.320 4.478 4.109 4.698 . 0 0 "[ . 1 . 2]" 1
1078 1 29 GLY HA2 1 31 GLU H 5.080 . 5.590 4.461 4.072 4.830 . 0 0 "[ . 1 . 2]" 1
1079 1 6 THR MG 1 7 GLN H 4.940 . 5.430 3.530 2.739 4.387 . 0 0 "[ . 1 . 2]" 1
1080 1 55 LEU HG 1 56 ARG H 4.690 . 5.160 4.441 4.315 4.631 . 0 0 "[ . 1 . 2]" 1
1081 1 51 SER H 1 52 LEU H 3.710 . 4.080 2.700 2.349 2.953 . 0 0 "[ . 1 . 2]" 1
1082 1 49 LYS HA 1 51 SER H 4.500 . 4.950 4.464 3.909 4.809 . 0 0 "[ . 1 . 2]" 1
1083 1 51 SER H 1 52 LEU HG 5.500 . 6.050 4.480 4.002 4.945 . 0 0 "[ . 1 . 2]" 1
1084 1 51 SER H 1 53 LYS QB 5.500 . 6.050 5.064 4.577 5.725 . 0 0 "[ . 1 . 2]" 1
1085 1 73 GLN HA 1 76 LYS H 4.570 . 5.030 3.246 2.748 3.570 . 0 0 "[ . 1 . 2]" 1
1086 1 22 THR HB 1 23 GLU H 3.900 . 4.290 2.432 2.329 2.538 . 0 0 "[ . 1 . 2]" 1
1087 1 75 HIS H 1 76 LYS H 3.780 . 4.160 2.319 1.873 2.575 . 0 0 "[ . 1 . 2]" 1
1088 1 26 GLU HB3 1 27 HIS H 3.910 . 4.300 3.604 2.288 4.207 . 0 0 "[ . 1 . 2]" 1
1089 1 61 ALA HA 1 64 ARG H 4.050 . 4.460 3.636 3.302 4.160 . 0 0 "[ . 1 . 2]" 1
1090 1 64 ARG H 1 65 VAL H 3.780 . 4.160 2.698 2.468 3.089 . 0 0 "[ . 1 . 2]" 1
1091 1 37 VAL MG2 1 64 ARG H 5.170 . 5.690 4.708 4.418 5.384 . 0 0 "[ . 1 . 2]" 1
1092 1 64 ARG HE 1 64 ARG HG2 4.160 . 4.580 2.674 2.284 3.529 . 0 0 "[ . 1 . 2]" 1
1093 1 39 ILE HG12 1 42 PHE H 4.640 . 5.100 4.302 3.370 5.096 . 0 0 "[ . 1 . 2]" 1
1094 1 39 ILE HG13 1 42 PHE H 4.640 . 5.100 2.870 1.862 3.511 . 0 0 "[ . 1 . 2]" 1
1095 1 57 LYS HG2 1 58 THR H 5.020 . 5.520 3.742 2.559 5.142 . 0 0 "[ . 1 . 2]" 1
1096 1 57 LYS HG3 1 58 THR H 5.020 . 5.520 3.439 1.790 5.017 0.010 1 0 "[ . 1 . 2]" 1
1097 1 56 ARG QB 1 57 LYS H 3.620 . 3.980 3.011 2.385 3.910 . 0 0 "[ . 1 . 2]" 1
1098 1 2 ALA MB 1 3 LEU H 4.020 . 4.420 3.096 2.124 3.649 . 0 0 "[ . 1 . 2]" 1
1099 1 63 GLU QB 1 64 ARG H 3.380 . 3.720 2.826 2.175 3.685 . 0 0 "[ . 1 . 2]" 1
1100 1 25 VAL MG2 1 29 GLY H 5.230 . 5.750 4.365 4.151 4.657 . 0 0 "[ . 1 . 2]" 1
1101 1 29 GLY H 1 33 LEU MD1 5.150 . 5.670 3.559 2.837 3.899 . 0 0 "[ . 1 . 2]" 1
1102 1 24 LEU MD1 1 69 TYR H 3.720 . 4.090 2.907 2.721 3.137 . 0 0 "[ . 1 . 2]" 1
1103 1 24 LEU H 1 69 TYR QD 5.080 . 5.590 4.159 3.734 5.061 . 0 0 "[ . 1 . 2]" 1
1104 1 55 LEU H 1 56 ARG QB 5.140 . 5.650 4.801 4.588 5.132 . 0 0 "[ . 1 . 2]" 1
1105 1 47 SER HB3 1 49 LYS H 4.310 . 4.740 3.728 3.196 4.266 . 0 0 "[ . 1 . 2]" 1
1106 1 16 THR H 1 17 LEU H 5.180 . 5.700 4.612 4.517 4.652 . 0 0 "[ . 1 . 2]" 1
1107 1 20 LEU HG 1 21 LEU H 4.160 . 4.580 4.453 4.351 4.567 . 0 0 "[ . 1 . 2]" 1
1108 1 18 GLN HA 1 21 LEU H 4.760 . 5.240 3.872 3.653 4.084 . 0 0 "[ . 1 . 2]" 1
1109 1 58 THR HA 1 60 TRP H 4.940 . 5.430 4.154 3.625 5.023 . 0 0 "[ . 1 . 2]" 1
1110 1 60 TRP H 1 60 TRP HE1 5.200 . 5.720 4.519 4.188 4.810 . 0 0 "[ . 1 . 2]" 1
1111 1 60 TRP H 1 61 ALA MB 5.070 . 5.580 4.452 4.343 4.579 . 0 0 "[ . 1 . 2]" 1
1112 1 67 ASN HA 1 70 LEU H 4.230 . 4.650 3.254 3.102 3.420 . 0 0 "[ . 1 . 2]" 1
1113 1 34 SER H 1 42 PHE HB2 5.500 . 6.050 3.868 2.964 5.279 . 0 0 "[ . 1 . 2]" 1
1114 1 34 SER H 1 42 PHE HB3 5.500 . 6.050 3.848 3.148 4.669 . 0 0 "[ . 1 . 2]" 1
1115 1 31 GLU HA 1 34 SER H 3.990 . 4.390 3.633 3.120 4.410 0.020 11 0 "[ . 1 . 2]" 1
1116 1 23 GLU HA 1 25 VAL H 5.070 . 5.580 4.458 4.236 4.653 . 0 0 "[ . 1 . 2]" 1
1117 1 29 GLY HA3 1 31 GLU H 5.080 . 5.590 3.703 3.228 4.124 . 0 0 "[ . 1 . 2]" 1
1118 1 31 GLU H 1 33 LEU H 5.010 . 5.510 4.198 3.989 4.485 . 0 0 "[ . 1 . 2]" 1
1119 1 36 MET HG2 1 37 VAL H 4.990 . 5.490 5.037 4.841 5.323 . 0 0 "[ . 1 . 2]" 1
1120 1 36 MET HG3 1 37 VAL H 4.990 . 5.490 4.537 4.213 4.965 . 0 0 "[ . 1 . 2]" 1
1121 1 33 LEU HA 1 37 VAL H 5.180 . 5.700 3.746 3.170 4.106 . 0 0 "[ . 1 . 2]" 1
1122 1 60 TRP HA 1 63 GLU H 4.960 . 5.460 3.533 3.154 3.974 . 0 0 "[ . 1 . 2]" 1
1123 1 51 SER H 1 53 LYS H 4.950 . 5.440 4.185 4.010 4.414 . 0 0 "[ . 1 . 2]" 1
1124 1 49 LYS H 1 51 SER H 4.940 . 5.430 4.269 3.936 4.539 . 0 0 "[ . 1 . 2]" 1
1125 1 79 ASN HB3 1 80 GLN H 4.000 . 4.400 3.400 2.217 4.405 0.005 3 0 "[ . 1 . 2]" 1
1126 1 66 GLU HG2 1 67 ASN H 5.130 . 5.640 4.551 2.619 5.082 . 0 0 "[ . 1 . 2]" 1
1127 1 65 VAL MG1 1 67 ASN H 5.500 . 6.050 4.967 4.753 5.142 . 0 0 "[ . 1 . 2]" 1
1128 1 67 ASN H 1 70 LEU MD2 5.500 . 6.050 5.849 5.719 6.007 . 0 0 "[ . 1 . 2]" 1
1129 1 22 THR MG 1 26 GLU H 5.010 . 5.510 4.022 3.861 4.294 . 0 0 "[ . 1 . 2]" 1
1130 1 22 THR HA 1 26 GLU H 5.170 . 5.690 4.203 3.980 4.561 . 0 0 "[ . 1 . 2]" 1
1131 1 5 MET HB3 1 6 THR H 4.860 . 5.350 4.293 3.702 4.667 . 0 0 "[ . 1 . 2]" 1
1132 1 24 LEU H 1 25 VAL MG2 5.010 . 5.510 4.131 3.997 4.222 . 0 0 "[ . 1 . 2]" 1
1133 1 50 SER H 1 52 LEU H 5.020 . 5.520 4.307 3.946 4.505 . 0 0 "[ . 1 . 2]" 1
1134 1 41 CYS H 1 43 LYS H 4.820 . 5.300 3.515 2.444 4.288 . 0 0 "[ . 1 . 2]" 1
1135 1 72 LEU HA 1 75 HIS H 4.470 . 4.920 3.450 2.970 3.741 . 0 0 "[ . 1 . 2]" 1
1136 1 71 LYS HA 1 73 GLN H 4.700 . 5.170 4.477 4.205 4.751 . 0 0 "[ . 1 . 2]" 1
1137 1 16 THR HA 1 19 LYS H 4.960 . 5.460 4.990 4.714 5.201 . 0 0 "[ . 1 . 2]" 1
1138 1 16 THR HB 1 19 LYS H 4.260 . 4.690 4.176 3.712 4.727 0.037 4 0 "[ . 1 . 2]" 1
1139 1 28 TYR QD 1 29 GLY H 5.140 . 5.650 3.938 3.654 4.148 . 0 0 "[ . 1 . 2]" 1
1140 1 57 LYS HB3 1 58 THR H 4.280 . 4.710 3.904 3.118 4.532 . 0 0 "[ . 1 . 2]" 1
1141 1 60 TRP HD1 1 61 ALA H 4.900 . 5.390 3.862 3.109 4.554 . 0 0 "[ . 1 . 2]" 1
1142 1 61 ALA H 1 63 GLU H 5.090 . 5.600 4.297 4.083 4.668 . 0 0 "[ . 1 . 2]" 1
1143 1 40 ASN HB3 1 41 CYS H 4.680 . 5.150 3.737 2.845 4.495 . 0 0 "[ . 1 . 2]" 1
1144 1 20 LEU MD2 1 69 TYR H 4.480 . 4.930 3.388 3.073 3.682 . 0 0 "[ . 1 . 2]" 1
1145 1 17 LEU MD1 1 62 ARG HE 4.910 . 5.400 3.821 2.120 5.445 0.045 13 0 "[ . 1 . 2]" 1
1146 1 37 VAL MG2 1 64 ARG HE 5.370 . 5.910 4.850 2.461 5.964 0.054 18 0 "[ . 1 . 2]" 1
1147 1 25 VAL MG2 1 30 TRP HE1 4.860 . 5.350 3.873 2.770 4.386 . 0 0 "[ . 1 . 2]" 1
1148 1 70 LEU H 1 72 LEU H 5.090 . 5.600 4.038 3.857 4.196 . 0 0 "[ . 1 . 2]" 1
1149 1 64 ARG H 1 66 GLU H 4.970 . 5.470 4.310 4.080 4.640 . 0 0 "[ . 1 . 2]" 1
1150 1 42 PHE H 1 44 LYS H 4.950 . 5.440 4.335 3.887 4.919 . 0 0 "[ . 1 . 2]" 1
1151 1 56 ARG H 1 58 THR H 5.000 . 5.500 4.074 3.750 4.466 . 0 0 "[ . 1 . 2]" 1
1152 1 23 GLU H 1 69 TYR QE 5.420 . 5.960 4.963 4.142 6.010 0.050 17 0 "[ . 1 . 2]" 1
1153 1 37 VAL MG1 1 39 ILE H 4.470 . 4.920 3.196 1.780 3.654 0.020 20 0 "[ . 1 . 2]" 1
1154 1 31 GLU HB2 1 32 GLU H 3.680 . 4.050 2.675 2.070 3.857 . 0 0 "[ . 1 . 2]" 1
1155 1 20 LEU MD1 1 21 LEU H 4.580 . 5.040 4.423 4.325 4.546 . 0 0 "[ . 1 . 2]" 1
1156 1 35 TYR HB3 1 36 MET H 4.280 . 4.710 2.759 2.393 3.665 . 0 0 "[ . 1 . 2]" 1
1157 1 3 LEU QD 1 4 ILE H 5.230 . 5.750 3.858 3.067 4.399 . 0 0 "[ . 1 . 2]" 1
1158 1 5 MET H 1 5 MET QB 3.660 . 4.030 2.496 2.237 2.956 . 0 0 "[ . 1 . 2]" 1
1159 1 5 MET QB 1 6 THR H 4.230 . 4.650 3.821 3.498 4.066 . 0 0 "[ . 1 . 2]" 1
1160 1 7 GLN H 1 7 GLN QB 3.550 . 3.900 2.572 2.244 3.367 . 0 0 "[ . 1 . 2]" 1
1161 1 7 GLN QB 1 8 GLN H 3.740 . 4.110 3.282 2.163 3.933 . 0 0 "[ . 1 . 2]" 1
1162 1 8 GLN H 1 8 GLN QB 3.330 . 3.660 2.476 2.202 3.312 . 0 0 "[ . 1 . 2]" 1
1163 1 8 GLN QB 1 9 ASN H 3.960 . 4.360 3.517 2.307 4.037 . 0 0 "[ . 1 . 2]" 1
1164 1 9 ASN QB 1 10 ASN H 3.480 . 3.830 2.925 1.877 3.999 0.169 5 0 "[ . 1 . 2]" 1
1165 1 10 ASN H 1 10 ASN QB 3.430 . 3.770 2.833 2.390 3.372 . 0 0 "[ . 1 . 2]" 1
1166 1 10 ASN H 1 11 PRO QD 4.760 . 5.240 3.591 2.375 4.426 . 0 0 "[ . 1 . 2]" 1
1167 1 10 ASN HA 1 11 PRO QG 4.520 . 4.970 3.934 3.774 4.226 . 0 0 "[ . 1 . 2]" 1
1168 1 10 ASN HA 1 11 PRO QD 2.950 . 3.250 2.032 1.860 2.424 . 0 0 "[ . 1 . 2]" 1
1169 1 10 ASN QB 1 11 PRO QD 3.850 . 4.230 3.381 2.315 3.888 . 0 0 "[ . 1 . 2]" 1
1170 1 10 ASN QB 1 12 LEU H 4.830 . 5.310 3.612 2.487 4.899 . 0 0 "[ . 1 . 2]" 1
1171 1 10 ASN QB 1 13 HIS H 4.610 . 5.070 3.941 2.554 5.087 0.017 19 0 "[ . 1 . 2]" 1
1172 1 10 ASN QB 1 13 HIS QB 4.760 . 5.240 3.270 1.889 4.817 . 0 0 "[ . 1 . 2]" 1
1173 1 11 PRO QB 1 12 LEU H 4.090 . 4.500 3.309 2.580 3.898 . 0 0 "[ . 1 . 2]" 1
1174 1 11 PRO QB 1 12 LEU MD2 4.490 . 4.940 3.076 1.967 3.945 . 0 0 "[ . 1 . 2]" 1
1175 1 11 PRO QG 1 12 LEU H 3.970 . 4.370 2.700 1.926 3.605 . 0 0 "[ . 1 . 2]" 1
1176 1 11 PRO QG 1 12 LEU HG 4.490 . 4.940 4.049 2.322 4.993 0.053 12 0 "[ . 1 . 2]" 1
1177 1 11 PRO QG 1 12 LEU MD2 3.510 . 3.860 2.428 1.798 3.811 0.002 17 0 "[ . 1 . 2]" 1
1178 1 11 PRO QD 1 12 LEU H 4.050 . 4.460 2.816 2.123 3.178 . 0 0 "[ . 1 . 2]" 1
1179 1 12 LEU H 1 12 LEU QB 3.180 . 3.500 2.743 2.368 3.272 . 0 0 "[ . 1 . 2]" 1
1180 1 12 LEU QB 1 12 LEU HG 2.440 . 2.680 2.344 2.167 2.516 . 0 0 "[ . 1 . 2]" 1
1181 1 12 LEU QB 1 12 LEU MD1 2.910 . 3.200 2.177 2.087 2.401 . 0 0 "[ . 1 . 2]" 1
1182 1 12 LEU QB 1 13 HIS H 4.030 . 4.430 3.430 2.153 4.070 . 0 0 "[ . 1 . 2]" 1
1183 1 15 ILE MG 1 19 LYS QB 3.610 . 3.970 2.006 1.784 2.442 0.016 16 0 "[ . 1 . 2]" 1
1184 1 15 ILE MG 1 19 LYS QG 4.420 . 4.860 2.351 2.050 3.333 . 0 0 "[ . 1 . 2]" 1
1185 1 16 THR H 1 19 LYS QB 3.900 . 4.290 2.907 2.273 3.661 . 0 0 "[ . 1 . 2]" 1
1186 1 17 LEU MD1 1 62 ARG QG 4.330 . 4.760 2.865 1.902 4.610 . 0 0 "[ . 1 . 2]" 1
1187 1 17 LEU MD1 1 62 ARG QD 4.220 . 4.640 3.518 2.843 4.266 . 0 0 "[ . 1 . 2]" 1
1188 1 17 LEU MD1 1 66 GLU QG 4.400 . 4.840 2.997 2.196 4.496 . 0 0 "[ . 1 . 2]" 1
1189 1 17 LEU MD2 1 55 LEU QB 3.950 . 4.350 2.265 1.898 2.953 . 0 0 "[ . 1 . 2]" 1
1190 1 17 LEU MD2 1 62 ARG QG 4.220 . 4.640 2.678 1.898 4.321 . 0 0 "[ . 1 . 2]" 1
1191 1 17 LEU MD2 1 62 ARG QD 3.900 . 4.290 2.695 1.963 3.743 . 0 0 "[ . 1 . 2]" 1
1192 1 18 GLN HA 1 18 GLN QG 3.640 . 4.000 2.498 2.426 2.575 . 0 0 "[ . 1 . 2]" 1
1193 1 18 GLN QB 1 19 LYS H 3.510 . 3.860 2.268 2.127 2.465 . 0 0 "[ . 1 . 2]" 1
1194 1 18 GLN QB 1 52 LEU MD1 3.450 . 3.790 2.655 2.021 3.039 . 0 0 "[ . 1 . 2]" 1
1195 1 18 GLN QB 1 52 LEU MD2 4.610 . 5.070 3.483 2.902 4.166 . 0 0 "[ . 1 . 2]" 1
1196 1 18 GLN QG 1 19 LYS H 4.620 . 5.080 3.337 2.979 4.061 . 0 0 "[ . 1 . 2]" 1
1197 1 18 GLN QG 1 48 ILE MG 3.610 . 3.970 2.576 1.777 3.474 0.023 18 0 "[ . 1 . 2]" 1
1198 1 18 GLN QG 1 52 LEU MD1 3.730 . 4.100 2.442 1.850 3.302 . 0 0 "[ . 1 . 2]" 1
1199 1 18 GLN QG 1 52 LEU MD2 4.480 . 4.930 3.787 3.081 4.518 . 0 0 "[ . 1 . 2]" 1
1200 1 18 GLN QE 1 48 ILE MG 4.110 . 4.520 3.279 2.361 4.556 0.036 12 0 "[ . 1 . 2]" 1
1201 1 18 GLN QE 1 52 LEU MD1 4.510 . 4.960 3.740 2.786 4.623 . 0 0 "[ . 1 . 2]" 1
1202 1 19 LYS H 1 19 LYS QB 3.240 . 3.560 2.240 2.170 2.292 . 0 0 "[ . 1 . 2]" 1
1203 1 19 LYS H 1 19 LYS QG 4.460 . 4.910 4.025 3.918 4.085 . 0 0 "[ . 1 . 2]" 1
1204 1 19 LYS HA 1 19 LYS QG 3.380 . 3.720 2.915 2.337 3.256 . 0 0 "[ . 1 . 2]" 1
1205 1 19 LYS HA 1 19 LYS QD 3.480 . 3.830 2.384 1.975 3.975 0.145 11 0 "[ . 1 . 2]" 1
1206 1 19 LYS QB 1 20 LEU H 3.800 . 4.180 2.641 2.342 2.880 . 0 0 "[ . 1 . 2]" 1
1207 1 19 LYS QE 1 19 LYS QG 3.260 . 3.590 2.350 2.145 2.817 . 0 0 "[ . 1 . 2]" 1
1208 1 19 LYS QG 1 23 GLU QG 4.020 . 4.420 2.863 2.309 3.705 . 0 0 "[ . 1 . 2]" 1
1209 1 20 LEU HA 1 23 GLU QB 4.170 . 4.590 3.224 2.536 3.558 . 0 0 "[ . 1 . 2]" 1
1210 1 20 LEU HA 1 23 GLU QG 4.750 . 5.220 3.532 2.868 4.328 . 0 0 "[ . 1 . 2]" 1
1211 1 20 LEU MD1 1 66 GLU QB 4.940 . 5.430 2.869 2.180 3.454 . 0 0 "[ . 1 . 2]" 1
1212 1 20 LEU MD1 1 66 GLU QG 3.870 . 4.260 2.638 1.903 4.195 . 0 0 "[ . 1 . 2]" 1
1213 1 20 LEU MD2 1 66 GLU QG 4.580 . 5.040 3.302 2.558 4.667 . 0 0 "[ . 1 . 2]" 1
1214 1 21 LEU H 1 21 LEU QB 3.060 . 3.370 2.237 2.226 2.254 . 0 0 "[ . 1 . 2]" 1
1215 1 21 LEU MD2 1 51 SER QB 3.600 . 3.960 2.364 1.960 2.992 . 0 0 "[ . 1 . 2]" 1
1216 1 22 THR MG 1 23 GLU QG 4.820 . 5.300 3.776 3.378 4.112 . 0 0 "[ . 1 . 2]" 1
1217 1 22 THR MG 1 26 GLU QG 4.010 . 4.410 2.637 2.269 4.265 . 0 0 "[ . 1 . 2]" 1
1218 1 23 GLU HA 1 23 GLU QG 3.550 . 3.900 2.708 2.298 3.096 . 0 0 "[ . 1 . 2]" 1
1219 1 23 GLU HA 1 26 GLU QB 3.440 . 3.780 2.675 2.220 3.732 . 0 0 "[ . 1 . 2]" 1
1220 1 23 GLU QB 1 72 LEU MD2 5.340 . 5.870 3.040 1.987 4.094 . 0 0 "[ . 1 . 2]" 1
1221 1 23 GLU QG 1 69 TYR QE 4.060 . 4.470 3.092 1.821 3.949 . 0 0 "[ . 1 . 2]" 1
1222 1 24 LEU H 1 24 LEU QB 3.240 . 3.560 2.451 2.394 2.511 . 0 0 "[ . 1 . 2]" 1
1223 1 24 LEU QB 1 25 VAL H 3.620 . 3.980 2.573 2.465 2.675 . 0 0 "[ . 1 . 2]" 1
1224 1 24 LEU QB 1 25 VAL MG2 4.610 . 5.070 3.151 3.022 3.273 . 0 0 "[ . 1 . 2]" 1
1225 1 24 LEU QB 1 33 LEU MD1 3.880 . 4.270 2.460 2.180 2.876 . 0 0 "[ . 1 . 2]" 1
1226 1 24 LEU QB 1 33 LEU MD2 3.320 . 3.650 1.865 1.760 2.167 0.040 12 0 "[ . 1 . 2]" 1
1227 1 25 VAL HA 1 29 GLY QA 4.680 . 5.150 2.700 2.362 3.260 . 0 0 "[ . 1 . 2]" 1
1228 1 25 VAL MG1 1 29 GLY QA 4.760 . 5.240 2.865 2.502 3.469 . 0 0 "[ . 1 . 2]" 1
1229 1 26 GLU H 1 26 GLU QB 3.110 . 3.420 2.402 2.149 2.501 . 0 0 "[ . 1 . 2]" 1
1230 1 26 GLU H 1 26 GLU QG 3.490 . 3.840 2.393 2.082 3.890 0.050 4 0 "[ . 1 . 2]" 1
1231 1 26 GLU HA 1 26 GLU QG 3.520 . 3.870 2.735 2.377 3.452 . 0 0 "[ . 1 . 2]" 1
1232 1 26 GLU QG 1 27 HIS H 5.020 . 5.520 4.057 2.434 4.349 . 0 0 "[ . 1 . 2]" 1
1233 1 27 HIS QB 1 28 TYR H 3.540 . 3.890 2.607 2.170 3.219 . 0 0 "[ . 1 . 2]" 1
1234 1 27 HIS QB 1 72 LEU MD2 4.210 . 4.630 2.929 2.440 3.638 . 0 0 "[ . 1 . 2]" 1
1235 1 28 TYR H 1 28 TYR QB 3.490 . 3.840 2.484 2.353 2.656 . 0 0 "[ . 1 . 2]" 1
1236 1 28 TYR H 1 29 GLY QA 4.970 . 5.470 4.228 3.846 4.409 . 0 0 "[ . 1 . 2]" 1
1237 1 28 TYR QB 1 29 GLY H 3.980 . 4.380 2.154 1.984 2.546 . 0 0 "[ . 1 . 2]" 1
1238 1 28 TYR QB 1 32 GLU QB 3.670 . 4.040 2.215 1.854 3.814 . 0 0 "[ . 1 . 2]" 1
1239 1 28 TYR QB 1 33 LEU H 4.210 . 4.630 3.766 3.321 4.029 . 0 0 "[ . 1 . 2]" 1
1240 1 28 TYR QB 1 33 LEU HG 4.320 . 4.750 3.057 2.604 3.460 . 0 0 "[ . 1 . 2]" 1
1241 1 28 TYR QB 1 33 LEU MD2 4.300 . 4.730 2.690 2.319 3.171 . 0 0 "[ . 1 . 2]" 1
1242 1 28 TYR QB 1 36 MET ME 4.400 . 4.840 3.179 2.665 3.878 . 0 0 "[ . 1 . 2]" 1
1243 1 28 TYR QD 1 32 GLU QG 4.340 . 4.770 3.498 2.397 4.765 . 0 0 "[ . 1 . 2]" 1
1244 1 28 TYR QE 1 32 GLU QB 5.340 . 5.870 5.010 4.468 5.942 0.072 11 0 "[ . 1 . 2]" 1
1245 1 29 GLY QA 1 31 GLU H 4.410 . 4.850 3.531 3.118 3.905 . 0 0 "[ . 1 . 2]" 1
1246 1 30 TRP H 1 30 TRP QB 3.500 . 3.850 2.469 2.344 2.563 . 0 0 "[ . 1 . 2]" 1
1247 1 30 TRP QB 1 31 GLU H 3.710 . 4.080 2.631 2.367 2.980 . 0 0 "[ . 1 . 2]" 1
1248 1 30 TRP QB 1 46 PRO QB 4.590 . 5.050 3.082 2.446 3.680 . 0 0 "[ . 1 . 2]" 1
1249 1 30 TRP QB 1 46 PRO QG 4.660 . 5.130 4.004 2.750 5.150 0.020 4 0 "[ . 1 . 2]" 1
1250 1 30 TRP HE3 1 42 PHE QB 4.250 . 4.680 2.468 1.819 3.100 . 0 0 "[ . 1 . 2]" 1
1251 1 30 TRP HE3 1 46 PRO QB 5.340 . 5.870 3.921 2.886 5.012 . 0 0 "[ . 1 . 2]" 1
1252 1 30 TRP HZ2 1 48 ILE QG 4.090 . 4.500 3.009 2.217 3.664 . 0 0 "[ . 1 . 2]" 1
1253 1 31 GLU H 1 31 GLU QB 3.220 . 3.540 2.467 2.372 2.656 . 0 0 "[ . 1 . 2]" 1
1254 1 31 GLU QB 1 31 GLU QG 2.360 . 2.600 2.049 1.980 2.094 . 0 0 "[ . 1 . 2]" 1
1255 1 31 GLU QB 1 32 GLU H 3.190 . 3.510 2.597 2.047 3.492 . 0 0 "[ . 1 . 2]" 1
1256 1 31 GLU QB 1 32 GLU HA 4.330 . 4.760 3.992 3.821 4.584 . 0 0 "[ . 1 . 2]" 1
1257 1 32 GLU H 1 32 GLU QB 3.180 . 3.500 2.428 2.233 2.743 . 0 0 "[ . 1 . 2]" 1
1258 1 32 GLU H 1 32 GLU QG 3.670 . 4.040 2.674 2.112 4.000 . 0 0 "[ . 1 . 2]" 1
1259 1 32 GLU HA 1 35 TYR QB 4.120 . 4.530 2.617 2.166 3.268 . 0 0 "[ . 1 . 2]" 1
1260 1 32 GLU QB 1 36 MET ME 3.470 . 3.820 2.438 1.976 3.461 . 0 0 "[ . 1 . 2]" 1
1261 1 32 GLU QG 1 36 MET ME 3.900 . 4.290 3.851 1.856 4.333 0.043 5 0 "[ . 1 . 2]" 1
1262 1 34 SER H 1 34 SER QB 3.410 . 3.750 2.422 2.218 2.584 . 0 0 "[ . 1 . 2]" 1
1263 1 34 SER H 1 35 TYR QB 5.340 . 5.870 4.413 4.271 4.757 . 0 0 "[ . 1 . 2]" 1
1264 1 34 SER H 1 42 PHE QB 4.620 . 5.080 3.405 2.759 4.061 . 0 0 "[ . 1 . 2]" 1
1265 1 34 SER QB 1 35 TYR H 4.260 . 4.690 3.227 2.706 3.789 . 0 0 "[ . 1 . 2]" 1
1266 1 34 SER QB 1 42 PHE QB 3.770 . 4.150 2.292 1.761 3.447 0.039 7 0 "[ . 1 . 2]" 1
1267 1 34 SER QB 1 42 PHE QD 4.890 . 5.380 3.314 2.271 4.083 . 0 0 "[ . 1 . 2]" 1
1268 1 34 SER QB 1 43 LYS QG 3.940 . 4.330 3.193 2.074 4.333 0.003 1 0 "[ . 1 . 2]" 1
1269 1 35 TYR H 1 36 MET QG 5.070 . 5.580 4.581 3.838 5.597 0.017 8 0 "[ . 1 . 2]" 1
1270 1 35 TYR QB 1 36 MET H 3.760 . 4.140 2.572 2.367 2.842 . 0 0 "[ . 1 . 2]" 1
1271 1 36 MET H 1 36 MET QG 3.550 . 3.900 2.608 2.184 3.431 . 0 0 "[ . 1 . 2]" 1
1272 1 36 MET HA 1 36 MET QG 3.390 . 3.730 2.395 2.338 2.519 . 0 0 "[ . 1 . 2]" 1
1273 1 36 MET QG 1 37 VAL H 4.250 . 4.680 4.216 4.007 4.511 . 0 0 "[ . 1 . 2]" 1
1274 1 37 VAL MG1 1 39 ILE QG 3.820 . 4.200 2.072 1.885 2.288 . 0 0 "[ . 1 . 2]" 1
1275 1 37 VAL MG1 1 64 ARG QB 3.640 . 4.000 2.846 2.493 3.648 . 0 0 "[ . 1 . 2]" 1
1276 1 37 VAL MG2 1 64 ARG QB 3.910 . 4.300 2.130 1.766 2.794 0.034 15 0 "[ . 1 . 2]" 1
1277 1 37 VAL MG2 1 64 ARG QG 4.150 . 4.570 3.637 2.936 4.590 0.020 20 0 "[ . 1 . 2]" 1
1278 1 37 VAL MG2 1 68 ILE QG 4.690 . 5.160 3.379 2.856 4.084 . 0 0 "[ . 1 . 2]" 1
1279 1 39 ILE QG 1 40 ASN H 4.710 . 5.180 3.892 3.660 4.169 . 0 0 "[ . 1 . 2]" 1
1280 1 39 ILE QG 1 41 CYS H 4.910 . 5.400 2.827 2.331 3.383 . 0 0 "[ . 1 . 2]" 1
1281 1 39 ILE MD 1 41 CYS QB 5.340 . 5.870 2.454 1.986 3.775 . 0 0 "[ . 1 . 2]" 1
1282 1 40 ASN H 1 40 ASN QB 3.180 . 3.500 2.272 2.223 2.384 . 0 0 "[ . 1 . 2]" 1
1283 1 40 ASN HA 1 43 LYS QG 4.350 . 4.790 3.662 2.606 4.839 0.049 1 0 "[ . 1 . 2]" 1
1284 1 40 ASN QB 1 41 CYS H 3.880 . 4.270 3.510 2.786 4.071 . 0 0 "[ . 1 . 2]" 1
1285 1 41 CYS H 1 41 CYS QB 3.550 . 3.900 2.528 2.249 2.870 . 0 0 "[ . 1 . 2]" 1
1286 1 41 CYS QB 1 51 SER HA 4.770 . 5.250 3.802 1.987 5.030 . 0 0 "[ . 1 . 2]" 1
1287 1 42 PHE H 1 42 PHE QB 3.590 . 3.950 2.527 2.388 2.656 . 0 0 "[ . 1 . 2]" 1
1288 1 42 PHE HA 1 46 PRO QB 5.340 . 5.870 3.832 2.085 5.812 . 0 0 "[ . 1 . 2]" 1
1289 1 43 LYS H 1 43 LYS QB 3.300 . 3.630 2.422 2.210 2.613 . 0 0 "[ . 1 . 2]" 1
1290 1 43 LYS H 1 43 LYS QG 3.750 . 4.130 2.985 2.301 4.107 . 0 0 "[ . 1 . 2]" 1
1291 1 43 LYS HA 1 43 LYS QG 3.630 . 3.990 2.571 2.312 3.016 . 0 0 "[ . 1 . 2]" 1
1292 1 43 LYS QB 1 43 LYS QE 4.140 . 4.550 2.851 1.942 3.865 . 0 0 "[ . 1 . 2]" 1
1293 1 44 LYS H 1 44 LYS QG 4.240 . 4.660 3.815 2.038 4.237 . 0 0 "[ . 1 . 2]" 1
1294 1 44 LYS HA 1 44 LYS QD 4.660 . 5.130 3.747 2.039 4.563 . 0 0 "[ . 1 . 2]" 1
1295 1 44 LYS HA 1 46 PRO QD 4.580 . 5.040 3.683 2.640 4.966 . 0 0 "[ . 1 . 2]" 1
1296 1 44 LYS QB 1 44 LYS QD 2.310 . 2.540 2.288 2.126 2.737 0.197 6 0 "[ . 1 . 2]" 1
1297 1 44 LYS QB 1 45 ASP H 4.030 . 4.430 3.611 2.348 4.049 . 0 0 "[ . 1 . 2]" 1
1298 1 44 LYS QG 1 45 ASP H 4.250 . 4.680 3.217 2.106 4.301 . 0 0 "[ . 1 . 2]" 1
1299 1 44 LYS QG 1 45 ASP QB 4.470 . 4.920 3.342 2.775 4.714 . 0 0 "[ . 1 . 2]" 1
1300 1 44 LYS QD 1 45 ASP H 5.200 . 5.720 4.467 2.640 5.738 0.018 19 0 "[ . 1 . 2]" 1
1301 1 45 ASP H 1 46 PRO QD 3.430 . 3.770 2.507 2.010 3.169 . 0 0 "[ . 1 . 2]" 1
1302 1 45 ASP HA 1 46 PRO QG 4.570 . 5.030 4.074 3.840 4.463 . 0 0 "[ . 1 . 2]" 1
1303 1 45 ASP HA 1 46 PRO QD 3.240 . 3.560 2.185 2.003 2.556 . 0 0 "[ . 1 . 2]" 1
1304 1 46 PRO QB 1 47 SER H 4.060 . 4.470 3.807 3.189 4.027 . 0 0 "[ . 1 . 2]" 1
1305 1 47 SER QB 1 48 ILE H 3.690 . 4.060 3.132 2.518 3.671 . 0 0 "[ . 1 . 2]" 1
1306 1 47 SER QB 1 49 LYS H 3.590 . 3.950 3.548 3.053 3.963 0.013 7 0 "[ . 1 . 2]" 1
1307 1 47 SER QB 1 50 SER H 3.770 . 4.150 2.644 2.361 3.155 . 0 0 "[ . 1 . 2]" 1
1308 1 48 ILE H 1 48 ILE QG 3.440 . 3.780 2.047 1.889 2.223 . 0 0 "[ . 1 . 2]" 1
1309 1 48 ILE HA 1 51 SER QB 4.610 . 5.070 3.253 2.620 4.193 . 0 0 "[ . 1 . 2]" 1
1310 1 48 ILE QG 1 48 ILE MG 3.140 . 3.450 2.318 2.298 2.348 . 0 0 "[ . 1 . 2]" 1
1311 1 49 LYS H 1 49 LYS QB 3.060 . 3.370 2.349 2.139 2.572 . 0 0 "[ . 1 . 2]" 1
1312 1 49 LYS H 1 49 LYS QG 4.130 . 4.540 3.119 1.892 4.055 . 0 0 "[ . 1 . 2]" 1
1313 1 49 LYS HA 1 49 LYS QG 3.470 . 3.820 2.613 2.331 3.353 . 0 0 "[ . 1 . 2]" 1
1314 1 49 LYS HA 1 52 LEU QB 3.610 . 3.970 2.748 2.216 3.196 . 0 0 "[ . 1 . 2]" 1
1315 1 49 LYS QB 1 49 LYS QE 4.360 . 4.800 3.110 1.838 3.887 . 0 0 "[ . 1 . 2]" 1
1316 1 49 LYS QB 1 50 SER H 3.430 . 3.770 2.607 2.177 3.449 . 0 0 "[ . 1 . 2]" 1
1317 1 49 LYS QB 1 51 SER H 5.340 . 5.870 4.803 4.476 5.296 . 0 0 "[ . 1 . 2]" 1
1318 1 49 LYS QG 1 50 SER H 4.950 . 5.440 3.879 2.161 4.487 . 0 0 "[ . 1 . 2]" 1
1319 1 50 SER QB 1 51 SER H 3.580 . 3.940 2.628 2.335 3.238 . 0 0 "[ . 1 . 2]" 1
1320 1 51 SER H 1 51 SER QB 3.550 . 3.900 2.423 2.264 2.650 . 0 0 "[ . 1 . 2]" 1
1321 1 51 SER HA 1 54 PHE QB 4.660 . 5.130 2.980 2.496 3.439 . 0 0 "[ . 1 . 2]" 1
1322 1 51 SER QB 1 52 LEU H 3.980 . 4.380 2.685 2.309 3.366 . 0 0 "[ . 1 . 2]" 1
1323 1 52 LEU H 1 52 LEU QB 3.090 . 3.400 2.479 2.445 2.527 . 0 0 "[ . 1 . 2]" 1
1324 1 52 LEU HA 1 55 LEU QB 4.020 . 4.420 2.478 2.074 2.919 . 0 0 "[ . 1 . 2]" 1
1325 1 52 LEU QB 1 52 LEU MD1 3.040 . 3.340 2.110 2.095 2.120 . 0 0 "[ . 1 . 2]" 1
1326 1 52 LEU QB 1 53 LYS H 3.170 . 3.490 2.567 2.357 2.698 . 0 0 "[ . 1 . 2]" 1
1327 1 53 LYS H 1 53 LYS QG 3.750 . 4.130 3.167 2.038 4.001 . 0 0 "[ . 1 . 2]" 1
1328 1 53 LYS HA 1 53 LYS QG 3.600 . 3.960 2.656 2.328 3.362 . 0 0 "[ . 1 . 2]" 1
1329 1 54 PHE QB 1 55 LEU H 3.790 . 4.170 2.572 2.408 2.679 . 0 0 "[ . 1 . 2]" 1
1330 1 54 PHE QB 1 56 ARG H 5.340 . 5.870 4.708 4.504 4.877 . 0 0 "[ . 1 . 2]" 1
1331 1 55 LEU H 1 55 LEU QB 3.520 . 3.870 2.472 2.434 2.523 . 0 0 "[ . 1 . 2]" 1
1332 1 55 LEU H 1 56 ARG QG 5.340 . 5.870 4.228 3.928 4.558 . 0 0 "[ . 1 . 2]" 1
1333 1 55 LEU QB 1 55 LEU MD1 2.490 . 2.740 2.113 2.109 2.122 . 0 0 "[ . 1 . 2]" 1
1334 1 55 LEU QB 1 56 ARG H 3.800 . 4.180 2.788 2.576 3.158 . 0 0 "[ . 1 . 2]" 1
1335 1 56 ARG H 1 56 ARG QG 3.670 . 4.040 2.276 2.001 2.661 . 0 0 "[ . 1 . 2]" 1
1336 1 56 ARG HA 1 56 ARG QG 3.430 . 3.770 2.778 2.350 3.361 . 0 0 "[ . 1 . 2]" 1
1337 1 56 ARG HA 1 56 ARG QD 4.760 . 5.240 3.899 2.019 4.580 . 0 0 "[ . 1 . 2]" 1
1338 1 56 ARG QB 1 56 ARG QD 2.980 . 3.280 2.330 2.127 2.861 . 0 0 "[ . 1 . 2]" 1
1339 1 56 ARG QG 1 57 LYS H 4.460 . 4.910 3.662 1.888 4.424 . 0 0 "[ . 1 . 2]" 1
1340 1 57 LYS H 1 57 LYS QB 3.100 . 3.410 2.628 2.360 3.044 . 0 0 "[ . 1 . 2]" 1
1341 1 57 LYS H 1 57 LYS QG 3.610 . 3.970 2.369 1.897 4.050 0.080 9 0 "[ . 1 . 2]" 1
1342 1 57 LYS QB 1 57 LYS QD 2.460 . 2.710 2.222 2.125 2.374 . 0 0 "[ . 1 . 2]" 1
1343 1 57 LYS QB 1 58 THR H 3.750 . 4.130 3.242 2.183 3.923 . 0 0 "[ . 1 . 2]" 1
1344 1 59 ASP HA 1 62 ARG QB 4.510 . 4.960 3.017 2.311 4.164 . 0 0 "[ . 1 . 2]" 1
1345 1 60 TRP H 1 60 TRP QB 3.400 . 3.740 2.506 2.376 2.623 . 0 0 "[ . 1 . 2]" 1
1346 1 60 TRP HE3 1 64 ARG QG 4.950 . 5.440 3.164 2.042 4.509 . 0 0 "[ . 1 . 2]" 1
1347 1 61 ALA HA 1 64 ARG QB 4.280 . 4.710 3.000 2.545 3.688 . 0 0 "[ . 1 . 2]" 1
1348 1 61 ALA HA 1 64 ARG QG 4.370 . 4.810 3.354 2.530 4.302 . 0 0 "[ . 1 . 2]" 1
1349 1 62 ARG QB 1 63 GLU H 3.430 . 3.770 2.391 2.061 2.637 . 0 0 "[ . 1 . 2]" 1
1350 1 63 GLU H 1 63 GLU QG 3.540 . 3.890 2.202 1.915 3.275 . 0 0 "[ . 1 . 2]" 1
1351 1 63 GLU HA 1 63 GLU QG 3.300 . 3.630 2.800 2.354 3.490 . 0 0 "[ . 1 . 2]" 1
1352 1 63 GLU QG 1 64 ARG H 4.700 . 5.170 3.623 1.973 4.601 . 0 0 "[ . 1 . 2]" 1
1353 1 64 ARG H 1 64 ARG QB 3.230 . 3.550 2.436 2.299 2.515 . 0 0 "[ . 1 . 2]" 1
1354 1 64 ARG H 1 64 ARG QG 3.140 . 3.450 2.359 2.022 3.472 0.022 15 0 "[ . 1 . 2]" 1
1355 1 64 ARG HA 1 64 ARG QG 3.630 . 3.990 2.630 2.317 3.084 . 0 0 "[ . 1 . 2]" 1
1356 1 64 ARG HA 1 67 ASN QB 3.650 . 4.020 2.522 2.155 3.105 . 0 0 "[ . 1 . 2]" 1
1357 1 64 ARG HA 1 67 ASN QD 4.500 . 4.950 3.611 3.100 5.019 0.069 11 0 "[ . 1 . 2]" 1
1358 1 64 ARG QB 1 64 ARG QG 2.310 . 2.540 2.049 1.977 2.096 . 0 0 "[ . 1 . 2]" 1
1359 1 64 ARG QB 1 64 ARG HE 4.530 . 4.980 3.332 2.009 4.043 . 0 0 "[ . 1 . 2]" 1
1360 1 64 ARG QB 1 65 VAL H 3.680 . 4.050 2.512 2.310 2.767 . 0 0 "[ . 1 . 2]" 1
1361 1 64 ARG QB 1 65 VAL MG2 4.220 . 4.640 3.182 2.996 3.421 . 0 0 "[ . 1 . 2]" 1
1362 1 64 ARG QB 1 67 ASN QB 4.890 . 5.380 4.070 3.706 4.876 . 0 0 "[ . 1 . 2]" 1
1363 1 64 ARG HE 1 64 ARG QG 3.630 . 3.990 2.411 2.174 3.141 . 0 0 "[ . 1 . 2]" 1
1364 1 66 GLU H 1 66 GLU QB 3.320 . 3.650 2.509 2.421 2.632 . 0 0 "[ . 1 . 2]" 1
1365 1 66 GLU H 1 66 GLU QG 3.410 . 3.750 2.107 1.849 2.291 . 0 0 "[ . 1 . 2]" 1
1366 1 66 GLU HA 1 66 GLU QG 3.560 . 3.920 2.648 2.382 3.360 . 0 0 "[ . 1 . 2]" 1
1367 1 66 GLU QB 1 66 GLU QG 2.260 . 2.490 2.080 2.006 2.097 . 0 0 "[ . 1 . 2]" 1
1368 1 66 GLU QG 1 67 ASN H 4.410 . 4.850 3.782 2.257 4.153 . 0 0 "[ . 1 . 2]" 1
1369 1 67 ASN H 1 67 ASN QB 3.090 . 3.400 2.253 2.213 2.303 . 0 0 "[ . 1 . 2]" 1
1370 1 67 ASN QB 1 68 ILE H 3.700 . 4.070 2.615 2.466 3.017 . 0 0 "[ . 1 . 2]" 1
1371 1 67 ASN QB 1 68 ILE HB 5.340 . 5.870 4.904 4.786 5.104 . 0 0 "[ . 1 . 2]" 1
1372 1 67 ASN QB 1 70 LEU HG 5.100 . 5.610 4.805 4.573 5.109 . 0 0 "[ . 1 . 2]" 1
1373 1 67 ASN QB 1 70 LEU MD1 4.480 . 4.930 3.673 3.395 3.990 . 0 0 "[ . 1 . 2]" 1
1374 1 68 ILE H 1 68 ILE QG 3.350 . 3.690 2.117 1.966 2.442 . 0 0 "[ . 1 . 2]" 1
1375 1 68 ILE HA 1 68 ILE QG 3.410 . 3.750 2.408 2.314 2.497 . 0 0 "[ . 1 . 2]" 1
1376 1 70 LEU HA 1 73 GLN QG 3.930 . 4.320 2.849 1.853 3.875 . 0 0 "[ . 1 . 2]" 1
1377 1 71 LYS H 1 71 LYS QG 4.100 . 4.510 3.244 2.066 4.008 . 0 0 "[ . 1 . 2]" 1
1378 1 72 LEU HB3 1 73 GLN QE 4.710 . 5.180 3.172 2.029 5.237 0.057 3 0 "[ . 1 . 2]" 1
1379 1 72 LEU MD1 1 75 HIS QB 4.590 . 5.050 2.946 2.186 3.645 . 0 0 "[ . 1 . 2]" 1
1380 1 73 GLN H 1 73 GLN QB 3.060 . 3.370 2.473 2.273 2.575 . 0 0 "[ . 1 . 2]" 1
1381 1 73 GLN H 1 73 GLN QG 3.630 . 3.990 2.351 2.004 3.556 . 0 0 "[ . 1 . 2]" 1
1382 1 73 GLN HA 1 73 GLN QG 3.390 . 3.730 2.952 2.345 3.354 . 0 0 "[ . 1 . 2]" 1
1383 1 73 GLN HA 1 76 LYS QB 4.210 . 4.630 2.715 1.876 4.062 . 0 0 "[ . 1 . 2]" 1
1384 1 73 GLN QB 1 73 GLN QG 2.250 . 2.480 1.996 1.968 2.084 . 0 0 "[ . 1 . 2]" 1
1385 1 73 GLN QB 1 74 ARG H 3.780 . 4.160 2.742 2.467 3.876 . 0 0 "[ . 1 . 2]" 1
1386 1 74 ARG H 1 74 ARG QG 3.450 . 3.790 2.320 1.819 3.944 0.154 18 0 "[ . 1 . 2]" 1
1387 1 74 ARG HA 1 74 ARG QG 3.540 . 3.890 3.158 2.275 3.505 . 0 0 "[ . 1 . 2]" 1
1388 1 74 ARG QG 1 75 HIS HA 5.200 . 5.720 4.483 3.251 5.874 0.154 5 0 "[ . 1 . 2]" 1
1389 1 75 HIS QB 1 76 LYS H 3.790 . 4.170 3.046 2.651 3.471 . 0 0 "[ . 1 . 2]" 1
1390 1 76 LYS H 1 76 LYS QB 3.110 . 3.420 2.339 2.054 2.996 . 0 0 "[ . 1 . 2]" 1
1391 1 76 LYS H 1 76 LYS QG 3.980 . 4.380 3.543 2.055 4.078 . 0 0 "[ . 1 . 2]" 1
1392 1 76 LYS QB 1 77 GLU H 4.020 . 4.420 3.773 2.545 4.054 . 0 0 "[ . 1 . 2]" 1
1393 1 77 GLU H 1 77 GLU QB 3.100 . 3.410 2.504 2.177 2.724 . 0 0 "[ . 1 . 2]" 1
1394 1 77 GLU H 1 77 GLU QG 3.580 . 3.940 2.286 1.848 3.607 . 0 0 "[ . 1 . 2]" 1
1395 1 77 GLU QB 1 78 ARG H 3.700 . 4.070 3.051 2.226 3.864 . 0 0 "[ . 1 . 2]" 1
1396 1 77 GLU QG 1 78 ARG H 4.520 . 4.970 3.801 2.153 4.907 . 0 0 "[ . 1 . 2]" 1
1397 1 78 ARG H 1 78 ARG QB 3.070 . 3.380 2.474 2.141 3.301 . 0 0 "[ . 1 . 2]" 1
1398 1 78 ARG HA 1 78 ARG QG 3.660 . 4.030 2.774 2.405 3.523 . 0 0 "[ . 1 . 2]" 1
1399 1 78 ARG QB 1 78 ARG QD 3.090 . 3.400 2.357 2.111 2.780 . 0 0 "[ . 1 . 2]" 1
1400 1 78 ARG QG 1 79 ASN H 4.720 . 5.190 3.963 2.143 4.868 . 0 0 "[ . 1 . 2]" 1
1401 1 79 ASN H 1 79 ASN QB 3.190 . 3.510 2.583 2.279 3.345 . 0 0 "[ . 1 . 2]" 1
1402 1 80 GLN H 1 80 GLN QB 3.300 . 3.630 2.678 2.247 3.194 . 0 0 "[ . 1 . 2]" 1
1403 1 80 GLN QG 1 81 LEU QB 4.550 . 5.010 4.264 3.026 5.011 0.001 16 0 "[ . 1 . 2]" 1
1404 1 80 GLN QG 1 81 LEU QD 4.880 . 5.370 3.720 1.790 4.608 0.010 19 0 "[ . 1 . 2]" 1
1405 1 81 LEU H 1 81 LEU QB 3.070 . 3.380 2.660 2.358 3.324 . 0 0 "[ . 1 . 2]" 1
1406 1 81 LEU H 1 81 LEU QD 4.110 . 4.520 2.551 1.754 3.304 0.046 7 0 "[ . 1 . 2]" 1
1407 1 81 LEU HA 1 81 LEU QD 3.460 . 3.810 2.763 1.995 3.413 . 0 0 "[ . 1 . 2]" 1
1408 1 81 LEU QB 1 81 LEU QD 2.670 . 2.940 1.951 1.928 1.973 . 0 0 "[ . 1 . 2]" 1
1409 1 81 LEU QB 1 82 GLU H 3.850 . 4.230 2.716 1.820 3.820 . 0 0 "[ . 1 . 2]" 1
1410 1 81 LEU QD 1 82 GLU H 5.070 . 5.580 3.611 2.377 4.426 . 0 0 "[ . 1 . 2]" 1
1411 1 82 GLU HA 1 82 GLU QG 3.700 . 4.070 3.067 2.385 3.545 . 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 4
_Distance_constraint_stats_list.Viol_count 44
_Distance_constraint_stats_list.Viol_total 32.503
_Distance_constraint_stats_list.Viol_max 0.090
_Distance_constraint_stats_list.Viol_rms 0.0250
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0203
_Distance_constraint_stats_list.Viol_average_violations_only 0.0369
_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 33 LEU 0.607 0.090 9 0 "[ . 1 . 2]"
1 39 ILE 1.018 0.081 9 0 "[ . 1 . 2]"
1 42 PHE 1.625 0.090 9 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 39 ILE HG13 1 42 PHE QD 3.500 3.500 8.500 3.577 3.419 4.049 0.081 9 0 "[ . 1 . 2]" 2
2 1 39 ILE HG12 1 42 PHE QD 3.500 3.500 8.500 3.569 3.437 4.076 0.063 3 0 "[ . 1 . 2]" 2
3 1 33 LEU HB3 1 42 PHE QD 3.500 3.500 8.500 3.510 3.410 3.721 0.090 9 0 "[ . 1 . 2]" 2
4 1 33 LEU HB2 1 42 PHE QD 3.500 3.500 8.500 3.687 3.478 4.323 0.022 13 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 67
_Distance_constraint_stats_list.Viol_total 22.020
_Distance_constraint_stats_list.Viol_max 0.054
_Distance_constraint_stats_list.Viol_rms 0.0054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0164
_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 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLN 0.011 0.011 1 0 "[ . 1 . 2]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.238 0.048 7 0 "[ . 1 . 2]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.011 0.011 1 0 "[ . 1 . 2]"
1 23 GLU 0.006 0.006 15 0 "[ . 1 . 2]"
1 24 LEU 0.238 0.048 7 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 HIS 0.006 0.006 15 0 "[ . 1 . 2]"
1 28 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.016 0.012 13 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 0.016 0.012 13 0 "[ . 1 . 2]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.146 0.033 12 0 "[ . 1 . 2]"
1 52 LEU 0.071 0.028 19 0 "[ . 1 . 2]"
1 53 LYS 0.146 0.033 12 0 "[ . 1 . 2]"
1 56 ARG 0.071 0.028 19 0 "[ . 1 . 2]"
1 61 ALA 0.016 0.008 12 0 "[ . 1 . 2]"
1 62 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.026 0.016 7 0 "[ . 1 . 2]"
1 64 ARG 0.013 0.013 13 0 "[ . 1 . 2]"
1 65 VAL 0.256 0.054 12 0 "[ . 1 . 2]"
1 66 GLU 0.019 0.019 5 0 "[ . 1 . 2]"
1 67 ASN 0.043 0.017 14 0 "[ . 1 . 2]"
1 68 ILE 0.013 0.013 13 0 "[ . 1 . 2]"
1 69 TYR 0.262 0.054 12 0 "[ . 1 . 2]"
1 70 LEU 0.126 0.050 13 0 "[ . 1 . 2]"
1 71 LYS 0.017 0.017 14 0 "[ . 1 . 2]"
1 72 LEU 0.152 0.047 8 0 "[ . 1 . 2]"
1 73 GLN 0.022 0.013 5 0 "[ . 1 . 2]"
1 74 ARG 0.107 0.050 13 0 "[ . 1 . 2]"
1 76 LYS 0.152 0.047 8 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 17 LEU O 1 21 LEU N 2.800 2.400 3.300 2.900 2.799 3.015 . 0 0 "[ . 1 . 2]" 3
2 1 17 LEU O 1 21 LEU H 1.800 . 2.300 1.931 1.830 2.039 . 0 0 "[ . 1 . 2]" 3
3 1 18 GLN O 1 22 THR N 2.800 2.400 3.300 2.997 2.792 3.260 . 0 0 "[ . 1 . 2]" 3
4 1 18 GLN O 1 22 THR H 1.800 . 2.300 2.067 1.882 2.311 0.011 1 0 "[ . 1 . 2]" 3
5 1 19 LYS O 1 23 GLU N 2.800 2.400 3.300 2.961 2.797 3.133 . 0 0 "[ . 1 . 2]" 3
6 1 19 LYS O 1 23 GLU H 1.800 . 2.300 1.999 1.837 2.158 . 0 0 "[ . 1 . 2]" 3
7 1 20 LEU O 1 24 LEU N 2.800 2.400 3.300 3.203 2.991 3.298 . 0 0 "[ . 1 . 2]" 3
8 1 20 LEU O 1 24 LEU H 1.800 . 2.300 2.274 2.042 2.348 0.048 7 0 "[ . 1 . 2]" 3
9 1 21 LEU O 1 25 VAL N 2.800 2.400 3.300 2.931 2.819 3.140 . 0 0 "[ . 1 . 2]" 3
10 1 21 LEU O 1 25 VAL H 1.800 . 2.300 2.000 1.900 2.237 . 0 0 "[ . 1 . 2]" 3
11 1 22 THR O 1 26 GLU N 2.800 2.400 3.300 2.915 2.778 3.136 . 0 0 "[ . 1 . 2]" 3
12 1 22 THR O 1 26 GLU H 1.800 . 2.300 1.989 1.865 2.229 . 0 0 "[ . 1 . 2]" 3
13 1 23 GLU O 1 27 HIS N 2.800 2.400 3.300 2.907 2.779 3.147 . 0 0 "[ . 1 . 2]" 3
14 1 23 GLU O 1 27 HIS H 1.800 . 2.300 2.015 1.822 2.306 0.006 15 0 "[ . 1 . 2]" 3
15 1 24 LEU O 1 28 TYR N 2.800 2.400 3.300 2.757 2.669 2.879 . 0 0 "[ . 1 . 2]" 3
16 1 24 LEU O 1 28 TYR H 1.800 . 2.300 1.934 1.864 2.040 . 0 0 "[ . 1 . 2]" 3
17 1 30 TRP O 1 34 SER N 2.800 2.400 3.300 2.860 2.753 2.979 . 0 0 "[ . 1 . 2]" 3
18 1 30 TRP O 1 34 SER H 1.800 . 2.300 1.940 1.865 2.065 . 0 0 "[ . 1 . 2]" 3
19 1 32 GLU O 1 36 MET N 2.800 2.400 3.300 3.042 2.902 3.264 . 0 0 "[ . 1 . 2]" 3
20 1 32 GLU O 1 36 MET H 1.800 . 2.300 2.113 1.955 2.312 0.012 13 0 "[ . 1 . 2]" 3
21 1 48 ILE O 1 52 LEU N 2.800 2.400 3.300 2.959 2.821 3.167 . 0 0 "[ . 1 . 2]" 3
22 1 48 ILE O 1 52 LEU H 1.800 . 2.300 1.999 1.856 2.229 . 0 0 "[ . 1 . 2]" 3
23 1 49 LYS O 1 53 LYS N 2.800 2.400 3.300 3.137 2.862 3.267 . 0 0 "[ . 1 . 2]" 3
24 1 49 LYS O 1 53 LYS H 1.800 . 2.300 2.212 1.938 2.333 0.033 12 0 "[ . 1 . 2]" 3
25 1 52 LEU O 1 56 ARG N 2.800 2.400 3.300 2.981 2.788 3.214 . 0 0 "[ . 1 . 2]" 3
26 1 52 LEU O 1 56 ARG H 1.800 . 2.300 2.106 1.901 2.328 0.028 19 0 "[ . 1 . 2]" 3
27 1 61 ALA O 1 65 VAL N 2.800 2.400 3.300 3.066 2.805 3.263 . 0 0 "[ . 1 . 2]" 3
28 1 61 ALA O 1 65 VAL H 1.800 . 2.300 2.116 1.863 2.308 0.008 12 0 "[ . 1 . 2]" 3
29 1 62 ARG O 1 66 GLU N 2.800 2.400 3.300 2.919 2.761 3.233 . 0 0 "[ . 1 . 2]" 3
30 1 62 ARG O 1 66 GLU H 1.800 . 2.300 1.948 1.788 2.257 . 0 0 "[ . 1 . 2]" 3
31 1 63 GLU O 1 67 ASN N 2.800 2.400 3.300 2.975 2.789 3.214 . 0 0 "[ . 1 . 2]" 3
32 1 63 GLU O 1 67 ASN H 1.800 . 2.300 2.098 1.897 2.316 0.016 7 0 "[ . 1 . 2]" 3
33 1 64 ARG O 1 68 ILE N 2.800 2.400 3.300 2.953 2.726 3.223 . 0 0 "[ . 1 . 2]" 3
34 1 64 ARG O 1 68 ILE H 1.800 . 2.300 2.048 1.888 2.313 0.013 13 0 "[ . 1 . 2]" 3
35 1 65 VAL O 1 69 TYR N 2.800 2.400 3.300 3.189 3.086 3.299 . 0 0 "[ . 1 . 2]" 3
36 1 65 VAL O 1 69 TYR H 1.800 . 2.300 2.278 2.171 2.354 0.054 12 0 "[ . 1 . 2]" 3
37 1 66 GLU O 1 70 LEU N 2.800 2.400 3.300 3.015 2.823 3.269 . 0 0 "[ . 1 . 2]" 3
38 1 66 GLU O 1 70 LEU H 1.800 . 2.300 2.085 1.900 2.319 0.019 5 0 "[ . 1 . 2]" 3
39 1 67 ASN O 1 71 LYS N 2.800 2.400 3.300 2.904 2.745 3.182 . 0 0 "[ . 1 . 2]" 3
40 1 67 ASN O 1 71 LYS H 1.800 . 2.300 1.971 1.812 2.317 0.017 14 0 "[ . 1 . 2]" 3
41 1 69 TYR O 1 73 GLN N 2.800 2.400 3.300 2.950 2.797 3.267 . 0 0 "[ . 1 . 2]" 3
42 1 69 TYR O 1 73 GLN H 1.800 . 2.300 2.047 1.877 2.313 0.013 5 0 "[ . 1 . 2]" 3
43 1 70 LEU O 1 74 ARG N 2.800 2.400 3.300 3.045 2.677 3.305 0.005 13 0 "[ . 1 . 2]" 3
44 1 70 LEU O 1 74 ARG H 1.800 . 2.300 2.140 1.896 2.350 0.050 13 0 "[ . 1 . 2]" 3
45 1 72 LEU O 1 76 LYS N 2.800 2.400 3.300 2.824 2.560 3.106 . 0 0 "[ . 1 . 2]" 3
46 1 72 LEU O 1 76 LYS H 1.800 . 2.300 2.150 1.836 2.347 0.047 8 0 "[ . 1 . 2]" 3
stop_
save_
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