NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
554454 |
2m0y   |
18832 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m0y
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 868
_Distance_constraint_stats_list.Viol_count 344
_Distance_constraint_stats_list.Viol_total 136.906
_Distance_constraint_stats_list.Viol_max 0.196
_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 0.0199
_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 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 TRP 0.776 0.074 12 0 "[ . 1 . 2]"
1 5 VAL 0.117 0.036 9 0 "[ . 1 . 2]"
1 6 PRO 0.112 0.036 9 0 "[ . 1 . 2]"
1 7 THR 0.009 0.009 2 0 "[ . 1 . 2]"
1 10 GLU 0.047 0.047 1 0 "[ . 1 . 2]"
1 11 GLU 0.012 0.012 11 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TYR 0.085 0.013 16 0 "[ . 1 . 2]"
1 14 GLY 0.001 0.001 4 0 "[ . 1 . 2]"
1 15 VAL 0.004 0.003 15 0 "[ . 1 . 2]"
1 16 ALA 0.832 0.143 20 0 "[ . 1 . 2]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASN 0.195 0.014 4 0 "[ . 1 . 2]"
1 20 TYR 0.055 0.007 13 0 "[ . 1 . 2]"
1 21 ASP 0.090 0.026 15 0 "[ . 1 . 2]"
1 22 ALA 0.092 0.026 15 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.005 0.003 20 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASP 0.002 0.002 4 0 "[ . 1 . 2]"
1 27 GLU 0.004 0.003 20 0 "[ . 1 . 2]"
1 28 LEU 0.141 0.041 2 0 "[ . 1 . 2]"
1 29 SER 0.084 0.014 7 0 "[ . 1 . 2]"
1 30 LEU 2.235 0.196 18 0 "[ . 1 . 2]"
1 31 GLN 0.005 0.003 2 0 "[ . 1 . 2]"
1 32 ILE 0.273 0.014 4 0 "[ . 1 . 2]"
1 33 GLY 0.075 0.013 10 0 "[ . 1 . 2]"
1 34 ASP 0.111 0.015 4 0 "[ . 1 . 2]"
1 35 THR 0.005 0.003 15 0 "[ . 1 . 2]"
1 36 VAL 2.940 0.196 18 0 "[ . 1 . 2]"
1 37 HIS 0.152 0.016 10 0 "[ . 1 . 2]"
1 38 ILE 0.297 0.116 1 0 "[ . 1 . 2]"
1 39 LEU 0.009 0.004 7 0 "[ . 1 . 2]"
1 40 GLU 0.022 0.005 3 0 "[ . 1 . 2]"
1 41 THR 0.014 0.009 2 0 "[ . 1 . 2]"
1 42 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.255 0.031 4 0 "[ . 1 . 2]"
1 44 GLY 0.255 0.031 4 0 "[ . 1 . 2]"
1 45 TRP 0.828 0.040 18 0 "[ . 1 . 2]"
1 46 TYR 0.015 0.013 16 0 "[ . 1 . 2]"
1 47 ARG 0.043 0.018 10 0 "[ . 1 . 2]"
1 48 GLY 0.013 0.005 3 0 "[ . 1 . 2]"
1 49 TYR 0.000 0.000 18 0 "[ . 1 . 2]"
1 50 THR 1.611 0.130 17 0 "[ . 1 . 2]"
1 51 LEU 0.001 0.001 13 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.059 0.041 2 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LYS 0.007 0.007 16 0 "[ . 1 . 2]"
1 57 LYS 0.016 0.014 13 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.449 0.027 2 0 "[ . 1 . 2]"
1 60 PHE 0.144 0.065 15 0 "[ . 1 . 2]"
1 61 PRO 0.006 0.006 5 0 "[ . 1 . 2]"
1 62 ALA 0.180 0.019 16 0 "[ . 1 . 2]"
1 63 SER 0.071 0.018 20 0 "[ . 1 . 2]"
1 64 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 0.072 0.018 20 0 "[ . 1 . 2]"
1 66 HIS 0.006 0.004 8 0 "[ . 1 . 2]"
1 67 LEU 0.277 0.116 1 0 "[ . 1 . 2]"
1 68 LYS 0.006 0.004 2 0 "[ . 1 . 2]"
1 69 GLU 0.042 0.036 14 0 "[ . 1 . 2]"
1 70 ALA 0.084 0.036 14 0 "[ . 1 . 2]"
1 71 ILE 0.119 0.049 19 0 "[ . 1 . 2]"
1 72 VAL 0.006 0.005 19 0 "[ . 1 . 2]"
1 73 GLU 0.011 0.006 6 0 "[ . 1 . 2]"
1 74 GLY 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 10 GLU HB3 1 11 GLU H 4.860 . 4.860 3.000 1.878 4.421 . 0 0 "[ . 1 . 2]" 1
2 1 10 GLU HB2 1 11 GLU H 4.860 . 4.860 3.898 2.604 4.666 . 0 0 "[ . 1 . 2]" 1
3 1 10 GLU QG 1 11 GLU H 5.850 . 5.850 2.958 1.972 4.229 . 0 0 "[ . 1 . 2]" 1
4 1 11 GLU QG 1 12 LYS QD 6.600 . 6.600 4.280 2.261 5.124 . 0 0 "[ . 1 . 2]" 1
5 1 11 GLU QG 1 12 LYS QG 6.880 . 6.880 4.296 2.320 5.383 . 0 0 "[ . 1 . 2]" 1
6 1 12 LYS HA 1 12 LYS QD 5.120 . 5.120 3.793 2.482 4.472 . 0 0 "[ . 1 . 2]" 1
7 1 12 LYS HA 1 12 LYS QE 5.660 . 5.660 4.353 1.964 4.830 . 0 0 "[ . 1 . 2]" 1
8 1 13 TYR HA 1 14 GLY H 3.560 . 3.560 2.524 2.405 2.597 . 0 0 "[ . 1 . 2]" 1
9 1 13 TYR HA 1 37 HIS HA 4.630 . 4.630 2.654 2.405 2.866 . 0 0 "[ . 1 . 2]" 1
10 1 13 TYR HA 1 37 HIS H 5.430 . 5.430 5.394 5.225 5.443 0.013 16 0 "[ . 1 . 2]" 1
11 1 13 TYR HA 1 38 ILE QG 5.690 . 5.690 4.176 2.943 4.886 . 0 0 "[ . 1 . 2]" 1
12 1 13 TYR HA 1 38 ILE H 4.030 . 4.030 2.969 2.562 3.637 . 0 0 "[ . 1 . 2]" 1
13 1 13 TYR HB3 1 14 GLY H 4.780 . 4.780 3.355 2.331 3.740 . 0 0 "[ . 1 . 2]" 1
14 1 13 TYR HB3 1 35 THR MG 5.830 . 5.830 3.737 2.382 4.545 . 0 0 "[ . 1 . 2]" 1
15 1 13 TYR HB2 1 14 GLY H 4.780 . 4.780 2.269 2.036 2.851 . 0 0 "[ . 1 . 2]" 1
16 1 13 TYR HB2 1 35 THR MG 5.830 . 5.830 2.594 1.953 3.270 . 0 0 "[ . 1 . 2]" 1
17 1 13 TYR QB 1 14 GLY H 4.850 . 4.850 2.186 2.021 2.410 . 0 0 "[ . 1 . 2]" 1
18 1 13 TYR QB 1 35 THR MG 5.900 . 5.900 2.516 1.939 3.200 . 0 0 "[ . 1 . 2]" 1
19 1 13 TYR QD 1 14 GLY H 6.860 . 6.860 3.621 3.236 4.258 . 0 0 "[ . 1 . 2]" 1
20 1 14 GLY HA3 1 68 LYS H 3.950 . 3.950 3.059 2.560 3.951 0.001 4 0 "[ . 1 . 2]" 1
21 1 14 GLY HA2 1 68 LYS H 3.950 . 3.950 2.087 2.000 2.510 . 0 0 "[ . 1 . 2]" 1
22 1 14 GLY QA 1 15 VAL H 3.940 . 3.940 2.236 2.157 2.283 . 0 0 "[ . 1 . 2]" 1
23 1 14 GLY QA 1 36 VAL QG 7.140 . 7.140 3.606 3.124 3.946 . 0 0 "[ . 1 . 2]" 1
24 1 14 GLY QA 1 38 ILE MD 6.410 . 6.410 3.349 2.423 3.840 . 0 0 "[ . 1 . 2]" 1
25 1 14 GLY QA 1 65 ILE MG 5.500 . 5.500 3.398 3.065 3.748 . 0 0 "[ . 1 . 2]" 1
26 1 14 GLY QA 1 67 LEU HA 4.820 . 4.820 2.058 1.869 2.371 . 0 0 "[ . 1 . 2]" 1
27 1 14 GLY QA 1 67 LEU QD 7.010 . 7.010 2.683 2.113 3.215 . 0 0 "[ . 1 . 2]" 1
28 1 14 GLY QA 1 68 LYS QG 6.060 . 6.060 2.786 1.926 3.802 . 0 0 "[ . 1 . 2]" 1
29 1 14 GLY H 1 15 VAL H 4.650 . 4.650 4.308 4.169 4.444 . 0 0 "[ . 1 . 2]" 1
30 1 14 GLY H 1 35 THR MG 5.940 . 5.940 3.209 2.614 3.665 . 0 0 "[ . 1 . 2]" 1
31 1 14 GLY H 1 36 VAL QG 5.990 . 5.990 3.123 2.646 3.538 . 0 0 "[ . 1 . 2]" 1
32 1 14 GLY H 1 36 VAL H 3.980 . 3.980 3.224 2.757 3.644 . 0 0 "[ . 1 . 2]" 1
33 1 14 GLY H 1 37 HIS HA 5.320 . 5.320 3.396 3.107 3.845 . 0 0 "[ . 1 . 2]" 1
34 1 15 VAL HA 1 16 ALA H 2.660 . 2.660 2.259 2.181 2.322 . 0 0 "[ . 1 . 2]" 1
35 1 15 VAL HA 1 35 THR HA 3.140 . 3.140 2.179 2.012 2.308 . 0 0 "[ . 1 . 2]" 1
36 1 15 VAL HA 1 35 THR MG 5.310 . 5.310 3.264 3.066 3.462 . 0 0 "[ . 1 . 2]" 1
37 1 15 VAL HA 1 36 VAL QG 6.510 . 6.510 3.140 2.674 3.665 . 0 0 "[ . 1 . 2]" 1
38 1 15 VAL HA 1 36 VAL H 3.790 . 3.790 3.022 2.565 3.651 . 0 0 "[ . 1 . 2]" 1
39 1 15 VAL HB 1 16 ALA H 4.110 . 4.110 3.799 3.647 3.989 . 0 0 "[ . 1 . 2]" 1
40 1 15 VAL HB 1 35 THR HA 5.130 . 5.130 4.966 4.759 5.133 0.003 15 0 "[ . 1 . 2]" 1
41 1 15 VAL HB 1 35 THR MG 6.400 . 6.400 5.108 4.959 5.195 . 0 0 "[ . 1 . 2]" 1
42 1 15 VAL HB 1 66 HIS HB3 5.030 . 5.030 3.145 2.433 3.550 . 0 0 "[ . 1 . 2]" 1
43 1 15 VAL HB 1 66 HIS HB2 5.030 . 5.030 4.594 3.592 4.982 . 0 0 "[ . 1 . 2]" 1
44 1 15 VAL HB 1 66 HIS QB 5.160 . 5.160 3.093 2.407 3.456 . 0 0 "[ . 1 . 2]" 1
45 1 15 VAL HB 1 66 HIS H 4.570 . 4.570 4.103 3.547 4.480 . 0 0 "[ . 1 . 2]" 1
46 1 15 VAL MG1 1 16 ALA H 5.020 . 5.020 2.067 1.921 2.228 . 0 0 "[ . 1 . 2]" 1
47 1 15 VAL MG1 1 35 THR HA 5.010 . 5.010 3.144 2.928 3.520 . 0 0 "[ . 1 . 2]" 1
48 1 15 VAL MG1 1 66 HIS H 6.520 . 6.520 4.840 4.496 5.103 . 0 0 "[ . 1 . 2]" 1
49 1 15 VAL MG1 1 68 LYS QE 7.400 . 7.400 4.250 3.490 5.356 . 0 0 "[ . 1 . 2]" 1
50 1 15 VAL MG1 1 68 LYS QG 6.360 . 6.360 4.390 4.174 4.622 . 0 0 "[ . 1 . 2]" 1
51 1 15 VAL MG2 1 16 ALA H 5.020 . 5.020 3.935 3.838 4.008 . 0 0 "[ . 1 . 2]" 1
52 1 15 VAL MG2 1 35 THR HA 5.010 . 5.010 3.158 2.826 3.509 . 0 0 "[ . 1 . 2]" 1
53 1 15 VAL MG2 1 66 HIS H 6.520 . 6.520 4.891 4.467 5.166 . 0 0 "[ . 1 . 2]" 1
54 1 15 VAL MG2 1 68 LYS QE 7.400 . 7.400 2.422 1.816 3.700 . 0 0 "[ . 1 . 2]" 1
55 1 15 VAL MG2 1 68 LYS QG 6.360 . 6.360 1.984 1.823 2.247 . 0 0 "[ . 1 . 2]" 1
56 1 15 VAL QG 1 16 ALA H 5.300 . 5.300 2.060 1.917 2.217 . 0 0 "[ . 1 . 2]" 1
57 1 15 VAL QG 1 32 ILE HA 6.910 . 6.910 4.405 4.226 4.450 . 0 0 "[ . 1 . 2]" 1
58 1 15 VAL QG 1 33 GLY QA 6.680 . 6.680 3.105 2.572 3.395 . 0 0 "[ . 1 . 2]" 1
59 1 15 VAL QG 1 33 GLY H 6.080 . 6.080 3.151 2.799 3.312 . 0 0 "[ . 1 . 2]" 1
60 1 15 VAL QG 1 34 ASP H 6.400 . 6.400 3.515 3.234 3.653 . 0 0 "[ . 1 . 2]" 1
61 1 15 VAL QG 1 35 THR HA 5.530 . 5.530 2.801 2.560 3.131 . 0 0 "[ . 1 . 2]" 1
62 1 15 VAL QG 1 35 THR MG 7.190 . 7.190 2.681 2.344 2.962 . 0 0 "[ . 1 . 2]" 1
63 1 15 VAL QG 1 36 VAL H 6.990 . 6.990 3.939 3.634 4.475 . 0 0 "[ . 1 . 2]" 1
64 1 15 VAL QG 1 66 HIS QB 7.680 . 7.680 3.646 3.103 3.910 . 0 0 "[ . 1 . 2]" 1
65 1 15 VAL QG 1 68 LYS QD 7.010 . 7.010 2.793 1.833 3.844 . 0 0 "[ . 1 . 2]" 1
66 1 15 VAL QG 1 68 LYS QE 7.160 . 7.160 2.404 1.810 3.627 . 0 0 "[ . 1 . 2]" 1
67 1 15 VAL QG 1 68 LYS QG 6.600 . 6.600 1.981 1.821 2.242 . 0 0 "[ . 1 . 2]" 1
68 1 15 VAL QG 1 68 LYS H 6.960 . 6.960 4.404 3.966 4.627 . 0 0 "[ . 1 . 2]" 1
69 1 15 VAL H 1 15 VAL HB 3.520 . 3.520 2.697 2.561 2.797 . 0 0 "[ . 1 . 2]" 1
70 1 15 VAL H 1 36 VAL QG 6.910 . 6.910 4.057 3.427 4.575 . 0 0 "[ . 1 . 2]" 1
71 1 15 VAL H 1 65 ILE MG 4.800 . 4.800 3.761 3.377 3.913 . 0 0 "[ . 1 . 2]" 1
72 1 15 VAL H 1 66 HIS QB 5.480 . 5.480 3.262 2.670 3.550 . 0 0 "[ . 1 . 2]" 1
73 1 15 VAL H 1 66 HIS H 3.720 . 3.720 2.956 2.538 3.269 . 0 0 "[ . 1 . 2]" 1
74 1 15 VAL H 1 67 LEU HA 4.200 . 4.200 3.701 3.419 4.094 . 0 0 "[ . 1 . 2]" 1
75 1 15 VAL H 1 67 LEU QD 6.520 . 6.520 4.330 4.135 4.557 . 0 0 "[ . 1 . 2]" 1
76 1 15 VAL H 1 68 LYS QG 5.560 . 5.560 3.288 2.721 4.172 . 0 0 "[ . 1 . 2]" 1
77 1 16 ALA HA 1 17 PHE H 3.090 . 3.090 2.174 2.155 2.194 . 0 0 "[ . 1 . 2]" 1
78 1 16 ALA HA 1 30 LEU QD 6.700 . 6.700 3.880 3.634 4.144 . 0 0 "[ . 1 . 2]" 1
79 1 16 ALA HA 1 65 ILE HA 3.280 . 3.280 2.712 2.266 3.028 . 0 0 "[ . 1 . 2]" 1
80 1 16 ALA HA 1 65 ILE MD 4.390 . 4.390 2.573 2.268 2.809 . 0 0 "[ . 1 . 2]" 1
81 1 16 ALA HA 1 65 ILE MG 5.040 . 5.040 3.842 3.347 4.087 . 0 0 "[ . 1 . 2]" 1
82 1 16 ALA HA 1 66 HIS H 4.140 . 4.140 3.783 3.478 4.070 . 0 0 "[ . 1 . 2]" 1
83 1 16 ALA MB 1 17 PHE H 4.700 . 4.700 3.364 3.109 3.468 . 0 0 "[ . 1 . 2]" 1
84 1 16 ALA MB 1 18 TYR H 5.040 . 5.040 3.980 3.924 4.060 . 0 0 "[ . 1 . 2]" 1
85 1 16 ALA MB 1 30 LEU HB3 5.500 . 5.500 3.283 2.704 4.288 . 0 0 "[ . 1 . 2]" 1
86 1 16 ALA MB 1 30 LEU HB2 5.500 . 5.500 4.277 3.860 4.573 . 0 0 "[ . 1 . 2]" 1
87 1 16 ALA MB 1 30 LEU QB 5.810 . 5.810 3.166 2.654 3.885 . 0 0 "[ . 1 . 2]" 1
88 1 16 ALA MB 1 30 LEU MD1 5.710 . 5.710 1.971 1.657 2.399 0.143 20 0 "[ . 1 . 2]" 1
89 1 16 ALA MB 1 30 LEU MD2 5.710 . 5.710 2.281 1.760 3.453 0.040 17 0 "[ . 1 . 2]" 1
90 1 16 ALA MB 1 31 GLN H 5.280 . 5.280 4.212 4.129 4.285 . 0 0 "[ . 1 . 2]" 1
91 1 16 ALA MB 1 32 ILE HA 5.900 . 5.900 4.616 4.360 4.741 . 0 0 "[ . 1 . 2]" 1
92 1 16 ALA MB 1 34 ASP HB3 5.830 . 5.830 4.657 4.534 4.720 . 0 0 "[ . 1 . 2]" 1
93 1 16 ALA MB 1 34 ASP HB2 5.060 . 5.060 4.004 3.890 4.065 . 0 0 "[ . 1 . 2]" 1
94 1 16 ALA MB 1 36 VAL MG1 6.480 . 6.480 2.438 1.914 2.984 . 0 0 "[ . 1 . 2]" 1
95 1 16 ALA MB 1 36 VAL MG2 6.480 . 6.480 2.249 1.867 2.683 . 0 0 "[ . 1 . 2]" 1
96 1 16 ALA MB 1 65 ILE HA 5.480 . 5.480 3.492 3.121 3.863 . 0 0 "[ . 1 . 2]" 1
97 1 16 ALA MB 1 65 ILE MD 5.400 . 5.400 2.017 1.842 2.244 . 0 0 "[ . 1 . 2]" 1
98 1 16 ALA H 1 17 PHE H 4.500 . 4.500 4.157 4.021 4.382 . 0 0 "[ . 1 . 2]" 1
99 1 16 ALA H 1 32 ILE HA 5.500 . 5.500 5.151 4.948 5.381 . 0 0 "[ . 1 . 2]" 1
100 1 16 ALA H 1 33 GLY H 5.270 . 5.270 4.446 3.970 4.805 . 0 0 "[ . 1 . 2]" 1
101 1 16 ALA H 1 34 ASP HB3 5.100 . 5.100 5.091 5.017 5.115 0.015 4 0 "[ . 1 . 2]" 1
102 1 16 ALA H 1 34 ASP HB2 4.600 . 4.600 4.504 4.414 4.601 0.001 6 0 "[ . 1 . 2]" 1
103 1 16 ALA H 1 34 ASP H 4.200 . 4.200 4.045 3.686 4.214 0.014 16 0 "[ . 1 . 2]" 1
104 1 16 ALA H 1 35 THR HA 3.770 . 3.770 3.330 3.128 3.515 . 0 0 "[ . 1 . 2]" 1
105 1 16 ALA H 1 36 VAL MG1 6.520 . 6.520 3.946 3.550 4.522 . 0 0 "[ . 1 . 2]" 1
106 1 16 ALA H 1 36 VAL MG2 6.520 . 6.520 3.409 2.839 3.886 . 0 0 "[ . 1 . 2]" 1
107 1 16 ALA H 1 36 VAL QG 6.060 . 6.060 3.203 2.764 3.584 . 0 0 "[ . 1 . 2]" 1
108 1 16 ALA H 1 65 ILE MD 5.840 . 5.840 4.478 4.138 4.746 . 0 0 "[ . 1 . 2]" 1
109 1 17 PHE HA 1 32 ILE HA 4.580 . 4.580 1.876 1.818 1.950 . 0 0 "[ . 1 . 2]" 1
110 1 17 PHE HA 1 32 ILE MG 4.560 . 4.560 2.463 2.145 2.721 . 0 0 "[ . 1 . 2]" 1
111 1 17 PHE QB 1 18 TYR H 5.290 . 5.290 3.719 3.699 3.735 . 0 0 "[ . 1 . 2]" 1
112 1 17 PHE QB 1 32 ILE MG 6.570 . 6.570 2.177 1.988 2.391 . 0 0 "[ . 1 . 2]" 1
113 1 17 PHE H 1 17 PHE HB3 4.100 . 4.100 3.100 2.893 3.458 . 0 0 "[ . 1 . 2]" 1
114 1 17 PHE H 1 17 PHE HB2 4.100 . 4.100 3.645 3.516 3.742 . 0 0 "[ . 1 . 2]" 1
115 1 17 PHE H 1 18 TYR H 4.240 . 4.240 4.000 3.895 4.065 . 0 0 "[ . 1 . 2]" 1
116 1 17 PHE H 1 30 LEU QD 7.050 . 7.050 4.782 4.360 5.092 . 0 0 "[ . 1 . 2]" 1
117 1 17 PHE H 1 32 ILE MG 6.400 . 6.400 4.709 4.500 4.861 . 0 0 "[ . 1 . 2]" 1
118 1 17 PHE H 1 65 ILE MD 6.200 . 6.200 3.997 3.632 4.307 . 0 0 "[ . 1 . 2]" 1
119 1 18 TYR HA 1 19 ASN H 2.910 . 2.910 2.493 2.353 2.560 . 0 0 "[ . 1 . 2]" 1
120 1 18 TYR HA 1 32 ILE MD 4.880 . 4.880 3.386 3.221 3.686 . 0 0 "[ . 1 . 2]" 1
121 1 18 TYR HA 1 32 ILE HG13 4.160 . 4.160 3.481 3.241 4.014 . 0 0 "[ . 1 . 2]" 1
122 1 18 TYR HA 1 32 ILE HG12 3.890 . 3.890 3.140 2.941 3.512 . 0 0 "[ . 1 . 2]" 1
123 1 18 TYR HB3 1 19 ASN H 4.020 . 4.020 2.865 2.594 3.450 . 0 0 "[ . 1 . 2]" 1
124 1 18 TYR HB2 1 19 ASN H 4.020 . 4.020 3.869 3.794 3.990 . 0 0 "[ . 1 . 2]" 1
125 1 18 TYR QB 1 19 ASN HA 5.240 . 5.240 4.187 4.067 4.438 . 0 0 "[ . 1 . 2]" 1
126 1 18 TYR QB 1 19 ASN H 4.020 . 4.020 2.782 2.555 3.255 . 0 0 "[ . 1 . 2]" 1
127 1 18 TYR QB 1 20 TYR H 4.620 . 4.620 2.884 2.650 3.144 . 0 0 "[ . 1 . 2]" 1
128 1 18 TYR QB 1 30 LEU QB 5.750 . 5.750 3.244 2.749 3.693 . 0 0 "[ . 1 . 2]" 1
129 1 18 TYR QB 1 30 LEU QD 6.860 . 6.860 3.652 2.034 4.213 . 0 0 "[ . 1 . 2]" 1
130 1 18 TYR QB 1 32 ILE HG12 6.220 . 6.220 4.496 4.254 4.831 . 0 0 "[ . 1 . 2]" 1
131 1 18 TYR QD 1 19 ASN H 6.600 . 6.600 2.288 2.011 2.638 . 0 0 "[ . 1 . 2]" 1
132 1 18 TYR H 1 18 TYR HB3 4.040 . 4.040 3.360 3.162 3.499 . 0 0 "[ . 1 . 2]" 1
133 1 18 TYR H 1 18 TYR HB2 4.040 . 4.040 3.097 2.991 3.281 . 0 0 "[ . 1 . 2]" 1
134 1 18 TYR H 1 19 ASN H 4.490 . 4.490 4.367 4.345 4.374 . 0 0 "[ . 1 . 2]" 1
135 1 18 TYR H 1 30 LEU QD 7.110 . 7.110 4.273 3.732 4.803 . 0 0 "[ . 1 . 2]" 1
136 1 18 TYR H 1 32 ILE HA 4.780 . 4.780 2.538 2.331 2.626 . 0 0 "[ . 1 . 2]" 1
137 1 18 TYR H 1 32 ILE MD 5.840 . 5.840 3.883 3.766 4.021 . 0 0 "[ . 1 . 2]" 1
138 1 18 TYR H 1 32 ILE HG13 4.020 . 4.020 2.609 2.235 3.190 . 0 0 "[ . 1 . 2]" 1
139 1 18 TYR H 1 32 ILE HG12 4.380 . 4.380 2.566 2.212 2.927 . 0 0 "[ . 1 . 2]" 1
140 1 18 TYR H 1 32 ILE MG 5.880 . 5.880 3.726 3.469 3.882 . 0 0 "[ . 1 . 2]" 1
141 1 19 ASN HA 1 20 TYR H 3.010 . 3.010 2.595 2.507 2.668 . 0 0 "[ . 1 . 2]" 1
142 1 19 ASN HA 1 31 GLN HA 3.410 . 3.410 3.020 2.888 3.315 . 0 0 "[ . 1 . 2]" 1
143 1 19 ASN HA 1 32 ILE H 3.960 . 3.960 3.967 3.935 3.974 0.014 4 0 "[ . 1 . 2]" 1
144 1 19 ASN HD21 1 32 ILE MD 5.520 . 5.520 3.082 2.458 3.794 . 0 0 "[ . 1 . 2]" 1
145 1 19 ASN HD22 1 32 ILE MD 5.520 . 5.520 2.163 1.833 4.376 . 0 0 "[ . 1 . 2]" 1
146 1 19 ASN QD 1 32 ILE MD 5.730 . 5.730 2.072 1.794 3.131 0.006 1 0 "[ . 1 . 2]" 1
147 1 19 ASN H 1 19 ASN HD21 4.770 . 4.770 3.331 2.224 4.451 . 0 0 "[ . 1 . 2]" 1
148 1 19 ASN H 1 19 ASN HD22 4.770 . 4.770 4.345 3.750 4.774 0.004 20 0 "[ . 1 . 2]" 1
149 1 19 ASN H 1 19 ASN QD 5.060 . 5.060 3.190 2.210 4.091 . 0 0 "[ . 1 . 2]" 1
150 1 19 ASN H 1 32 ILE MD 5.320 . 5.320 4.246 4.149 4.315 . 0 0 "[ . 1 . 2]" 1
151 1 19 ASN H 1 32 ILE HG13 4.590 . 4.590 4.433 4.374 4.531 . 0 0 "[ . 1 . 2]" 1
152 1 19 ASN H 1 32 ILE HG12 5.170 . 5.170 4.956 4.435 5.180 0.010 10 0 "[ . 1 . 2]" 1
153 1 20 TYR HA 1 21 ASP H 2.880 . 2.880 2.199 2.145 2.242 . 0 0 "[ . 1 . 2]" 1
154 1 20 TYR HB3 1 30 LEU H 4.590 . 4.590 2.268 1.936 2.924 . 0 0 "[ . 1 . 2]" 1
155 1 20 TYR HB2 1 30 LEU H 4.590 . 4.590 3.964 3.538 4.593 0.003 17 0 "[ . 1 . 2]" 1
156 1 20 TYR QB 1 21 ASP H 4.980 . 4.980 3.576 3.420 3.719 . 0 0 "[ . 1 . 2]" 1
157 1 20 TYR QB 1 30 LEU QB 5.680 . 5.680 2.141 1.794 2.627 0.006 5 0 "[ . 1 . 2]" 1
158 1 20 TYR QB 1 30 LEU QD 7.120 . 7.120 3.496 2.832 4.020 . 0 0 "[ . 1 . 2]" 1
159 1 20 TYR QB 1 30 LEU HG 6.160 . 6.160 4.308 3.831 5.124 . 0 0 "[ . 1 . 2]" 1
160 1 20 TYR QB 1 30 LEU H 4.590 . 4.590 2.254 1.928 2.892 . 0 0 "[ . 1 . 2]" 1
161 1 20 TYR QD 1 21 ASP H 5.860 . 5.860 2.370 2.011 2.795 . 0 0 "[ . 1 . 2]" 1
162 1 20 TYR QD 1 22 ALA H 6.590 . 6.590 3.837 2.373 5.642 . 0 0 "[ . 1 . 2]" 1
163 1 20 TYR QD 1 30 LEU H 6.200 . 6.200 3.276 2.301 3.893 . 0 0 "[ . 1 . 2]" 1
164 1 20 TYR QE 1 21 ASP H 6.890 . 6.890 3.738 3.477 4.101 . 0 0 "[ . 1 . 2]" 1
165 1 20 TYR QE 1 22 ALA H 6.660 . 6.660 4.477 3.030 5.827 . 0 0 "[ . 1 . 2]" 1
166 1 20 TYR QE 1 23 ARG H 6.370 . 6.370 4.605 3.683 5.722 . 0 0 "[ . 1 . 2]" 1
167 1 20 TYR QE 1 28 LEU H 6.390 . 6.390 3.958 3.160 4.914 . 0 0 "[ . 1 . 2]" 1
168 1 20 TYR QE 1 29 SER H 7.480 . 7.480 6.004 4.875 6.546 . 0 0 "[ . 1 . 2]" 1
169 1 20 TYR H 1 20 TYR HB3 3.950 . 3.950 2.643 2.501 2.788 . 0 0 "[ . 1 . 2]" 1
170 1 20 TYR H 1 20 TYR HB2 3.950 . 3.950 2.570 2.355 2.889 . 0 0 "[ . 1 . 2]" 1
171 1 20 TYR H 1 21 ASP H 4.590 . 4.590 4.557 4.490 4.595 0.005 5 0 "[ . 1 . 2]" 1
172 1 20 TYR H 1 30 LEU HB3 4.230 . 4.230 3.496 2.501 4.091 . 0 0 "[ . 1 . 2]" 1
173 1 20 TYR H 1 30 LEU HB2 4.230 . 4.230 3.930 3.306 4.232 0.002 17 0 "[ . 1 . 2]" 1
174 1 20 TYR H 1 30 LEU QD 7.060 . 7.060 4.550 3.796 4.920 . 0 0 "[ . 1 . 2]" 1
175 1 20 TYR H 1 30 LEU H 3.710 . 3.710 3.639 3.361 3.717 0.007 13 0 "[ . 1 . 2]" 1
176 1 20 TYR H 1 31 GLN HA 4.200 . 4.200 3.699 3.484 3.971 . 0 0 "[ . 1 . 2]" 1
177 1 21 ASP HA 1 22 ALA H 3.170 . 3.170 2.200 2.139 2.318 . 0 0 "[ . 1 . 2]" 1
178 1 21 ASP HA 1 29 SER HA 4.150 . 4.150 2.734 2.290 3.236 . 0 0 "[ . 1 . 2]" 1
179 1 21 ASP HA 1 29 SER HB3 4.640 . 4.640 3.268 2.085 4.620 . 0 0 "[ . 1 . 2]" 1
180 1 21 ASP HA 1 29 SER HB2 4.640 . 4.640 3.197 1.991 4.343 . 0 0 "[ . 1 . 2]" 1
181 1 21 ASP HA 1 29 SER QB 4.850 . 4.850 2.670 1.962 3.556 . 0 0 "[ . 1 . 2]" 1
182 1 21 ASP HB3 1 22 ALA H 4.520 . 4.520 4.082 3.263 4.472 . 0 0 "[ . 1 . 2]" 1
183 1 21 ASP HB2 1 22 ALA H 4.520 . 4.520 4.394 3.554 4.546 0.026 15 0 "[ . 1 . 2]" 1
184 1 21 ASP QB 1 22 ALA H 4.690 . 4.690 3.733 3.157 4.015 . 0 0 "[ . 1 . 2]" 1
185 1 21 ASP H 1 21 ASP QB 3.840 . 3.840 2.594 2.401 2.986 . 0 0 "[ . 1 . 2]" 1
186 1 21 ASP H 1 22 ALA H 4.730 . 4.730 4.057 3.593 4.506 . 0 0 "[ . 1 . 2]" 1
187 1 22 ALA HA 1 23 ARG H 2.960 . 2.960 2.251 2.137 2.440 . 0 0 "[ . 1 . 2]" 1
188 1 22 ALA HA 1 27 GLU HB3 4.060 . 4.060 2.800 2.276 3.361 . 0 0 "[ . 1 . 2]" 1
189 1 22 ALA HA 1 27 GLU HB2 4.200 . 4.200 3.475 2.901 3.861 . 0 0 "[ . 1 . 2]" 1
190 1 22 ALA HA 1 27 GLU QG 5.930 . 5.930 3.945 2.979 4.405 . 0 0 "[ . 1 . 2]" 1
191 1 22 ALA MB 1 23 ARG H 4.000 . 4.000 2.801 2.369 3.224 . 0 0 "[ . 1 . 2]" 1
192 1 22 ALA MB 1 24 GLY H 3.800 . 3.800 2.640 2.373 2.878 . 0 0 "[ . 1 . 2]" 1
193 1 22 ALA MB 1 27 GLU HA 5.720 . 5.720 3.958 3.625 4.232 . 0 0 "[ . 1 . 2]" 1
194 1 22 ALA MB 1 27 GLU HB3 4.730 . 4.730 2.311 1.832 2.784 . 0 0 "[ . 1 . 2]" 1
195 1 22 ALA MB 1 27 GLU HB2 4.980 . 4.980 3.008 2.029 3.703 . 0 0 "[ . 1 . 2]" 1
196 1 22 ALA MB 1 27 GLU QG 6.190 . 6.190 3.834 3.187 4.310 . 0 0 "[ . 1 . 2]" 1
197 1 22 ALA MB 1 27 GLU H 4.970 . 4.970 3.715 3.213 4.005 . 0 0 "[ . 1 . 2]" 1
198 1 22 ALA MB 1 28 LEU HA 5.060 . 5.060 2.359 2.088 2.672 . 0 0 "[ . 1 . 2]" 1
199 1 22 ALA MB 1 28 LEU H 4.870 . 4.870 2.710 2.100 3.241 . 0 0 "[ . 1 . 2]" 1
200 1 22 ALA MB 1 29 SER HA 5.130 . 5.130 2.905 2.632 3.126 . 0 0 "[ . 1 . 2]" 1
201 1 22 ALA MB 1 29 SER H 3.500 . 3.500 2.218 1.935 2.748 . 0 0 "[ . 1 . 2]" 1
202 1 22 ALA H 1 23 ARG H 4.730 . 4.730 4.587 4.493 4.637 . 0 0 "[ . 1 . 2]" 1
203 1 22 ALA H 1 29 SER HA 3.370 . 3.370 2.115 1.946 2.857 . 0 0 "[ . 1 . 2]" 1
204 1 22 ALA H 1 29 SER HB3 4.380 . 4.380 2.896 1.986 4.381 0.001 5 0 "[ . 1 . 2]" 1
205 1 22 ALA H 1 29 SER HB2 4.380 . 4.380 2.981 2.020 3.859 . 0 0 "[ . 1 . 2]" 1
206 1 22 ALA H 1 29 SER QB 4.590 . 4.590 2.405 1.937 3.439 . 0 0 "[ . 1 . 2]" 1
207 1 22 ALA H 1 30 LEU H 4.680 . 4.680 4.025 3.743 4.685 0.005 13 0 "[ . 1 . 2]" 1
208 1 23 ARG HA 1 23 ARG HG3 4.200 . 4.200 2.784 2.099 4.095 . 0 0 "[ . 1 . 2]" 1
209 1 23 ARG HA 1 23 ARG HG2 4.200 . 4.200 2.979 2.151 3.730 . 0 0 "[ . 1 . 2]" 1
210 1 23 ARG QB 1 24 GLY H 4.640 . 4.640 3.427 2.846 4.020 . 0 0 "[ . 1 . 2]" 1
211 1 23 ARG H 1 23 ARG QD 5.520 . 5.520 4.046 1.980 4.839 . 0 0 "[ . 1 . 2]" 1
212 1 23 ARG H 1 23 ARG QG 5.010 . 5.010 3.478 2.163 4.266 . 0 0 "[ . 1 . 2]" 1
213 1 23 ARG H 1 24 GLY H 2.900 . 2.900 2.357 1.999 2.792 . 0 0 "[ . 1 . 2]" 1
214 1 23 ARG H 1 27 GLU HB3 4.630 . 4.630 3.549 2.467 4.234 . 0 0 "[ . 1 . 2]" 1
215 1 23 ARG H 1 27 GLU HB2 3.950 . 3.950 3.052 2.449 3.559 . 0 0 "[ . 1 . 2]" 1
216 1 24 GLY HA3 1 26 ASP H 4.000 . 4.000 3.289 3.153 3.348 . 0 0 "[ . 1 . 2]" 1
217 1 24 GLY HA3 1 27 GLU H 4.460 . 4.460 3.906 3.548 4.272 . 0 0 "[ . 1 . 2]" 1
218 1 24 GLY HA2 1 25 ALA HA 4.430 . 4.430 4.310 4.289 4.337 . 0 0 "[ . 1 . 2]" 1
219 1 24 GLY HA2 1 26 ASP H 4.490 . 4.490 4.354 4.174 4.492 0.002 4 0 "[ . 1 . 2]" 1
220 1 24 GLY H 1 25 ALA H 4.910 . 4.910 4.368 4.280 4.440 . 0 0 "[ . 1 . 2]" 1
221 1 24 GLY H 1 27 GLU HB3 5.150 . 5.150 4.369 3.062 4.802 . 0 0 "[ . 1 . 2]" 1
222 1 24 GLY H 1 27 GLU HB2 3.940 . 3.940 3.459 2.877 3.943 0.003 20 0 "[ . 1 . 2]" 1
223 1 24 GLY H 1 27 GLU H 4.480 . 4.480 3.674 3.037 4.002 . 0 0 "[ . 1 . 2]" 1
224 1 25 ALA HA 1 27 GLU H 4.700 . 4.700 4.011 3.691 4.358 . 0 0 "[ . 1 . 2]" 1
225 1 25 ALA MB 1 26 ASP H 4.440 . 4.440 2.839 2.750 2.992 . 0 0 "[ . 1 . 2]" 1
226 1 25 ALA MB 1 27 GLU H 5.660 . 5.660 4.525 4.317 4.749 . 0 0 "[ . 1 . 2]" 1
227 1 25 ALA H 1 26 ASP H 4.350 . 4.350 2.543 2.508 2.678 . 0 0 "[ . 1 . 2]" 1
228 1 25 ALA H 1 27 GLU H 4.770 . 4.770 4.250 4.042 4.528 . 0 0 "[ . 1 . 2]" 1
229 1 26 ASP HB3 1 27 GLU H 4.220 . 4.220 3.254 2.778 3.936 . 0 0 "[ . 1 . 2]" 1
230 1 26 ASP HB2 1 27 GLU H 4.220 . 4.220 3.256 2.737 3.834 . 0 0 "[ . 1 . 2]" 1
231 1 26 ASP H 1 26 ASP HB3 3.760 . 3.760 3.276 2.803 3.591 . 0 0 "[ . 1 . 2]" 1
232 1 26 ASP H 1 26 ASP HB2 3.760 . 3.760 2.228 2.067 2.657 . 0 0 "[ . 1 . 2]" 1
233 1 26 ASP H 1 27 GLU HB2 4.930 . 4.930 4.761 4.506 4.930 0.000 15 0 "[ . 1 . 2]" 1
234 1 26 ASP H 1 27 GLU H 3.180 . 3.180 2.667 2.572 2.775 . 0 0 "[ . 1 . 2]" 1
235 1 27 GLU HA 1 28 LEU H 3.280 . 3.280 2.491 2.213 2.673 . 0 0 "[ . 1 . 2]" 1
236 1 27 GLU HA 1 59 ILE QG 5.100 . 5.100 2.881 2.026 3.394 . 0 0 "[ . 1 . 2]" 1
237 1 27 GLU HA 1 59 ILE H 4.230 . 4.230 2.765 2.345 3.183 . 0 0 "[ . 1 . 2]" 1
238 1 27 GLU HB3 1 28 LEU H 3.740 . 3.740 2.367 1.996 3.155 . 0 0 "[ . 1 . 2]" 1
239 1 27 GLU HB3 1 59 ILE H 5.500 . 5.500 4.710 4.316 5.189 . 0 0 "[ . 1 . 2]" 1
240 1 27 GLU HB2 1 28 LEU H 4.380 . 4.380 3.764 3.438 4.286 . 0 0 "[ . 1 . 2]" 1
241 1 27 GLU QG 1 28 LEU H 5.470 . 5.470 3.125 2.348 3.387 . 0 0 "[ . 1 . 2]" 1
242 1 27 GLU QG 1 59 ILE MD 6.760 . 6.760 3.245 2.436 3.994 . 0 0 "[ . 1 . 2]" 1
243 1 27 GLU QG 1 59 ILE QG 6.150 . 6.150 2.651 2.242 3.451 . 0 0 "[ . 1 . 2]" 1
244 1 27 GLU QG 1 59 ILE H 5.750 . 5.750 3.569 2.829 4.761 . 0 0 "[ . 1 . 2]" 1
245 1 27 GLU H 1 27 GLU HB2 3.350 . 3.350 2.377 2.198 2.548 . 0 0 "[ . 1 . 2]" 1
246 1 28 LEU HA 1 29 SER H 3.560 . 3.560 2.169 2.147 2.189 . 0 0 "[ . 1 . 2]" 1
247 1 28 LEU HB3 1 29 SER H 4.120 . 4.120 4.015 3.470 4.134 0.014 7 0 "[ . 1 . 2]" 1
248 1 28 LEU HB3 1 30 LEU QD 6.900 . 6.900 3.952 2.571 4.586 . 0 0 "[ . 1 . 2]" 1
249 1 28 LEU HB3 1 50 THR MG 6.520 . 6.520 5.130 4.820 5.309 . 0 0 "[ . 1 . 2]" 1
250 1 28 LEU HB2 1 58 GLY H 4.550 . 4.550 3.637 2.923 4.207 . 0 0 "[ . 1 . 2]" 1
251 1 28 LEU MD1 1 29 SER H 5.570 . 5.570 4.150 2.939 4.696 . 0 0 "[ . 1 . 2]" 1
252 1 28 LEU MD1 1 49 TYR HA 5.220 . 5.220 2.801 1.987 3.595 . 0 0 "[ . 1 . 2]" 1
253 1 28 LEU MD1 1 50 THR MG 6.110 . 6.110 3.690 3.204 4.043 . 0 0 "[ . 1 . 2]" 1
254 1 28 LEU MD1 1 50 THR H 5.490 . 5.490 2.873 2.217 3.413 . 0 0 "[ . 1 . 2]" 1
255 1 28 LEU MD1 1 53 LYS QE 6.910 . 6.910 3.474 1.902 5.064 . 0 0 "[ . 1 . 2]" 1
256 1 28 LEU MD1 1 58 GLY HA3 6.400 . 6.400 2.999 2.007 3.702 . 0 0 "[ . 1 . 2]" 1
257 1 28 LEU MD1 1 58 GLY HA2 6.400 . 6.400 4.034 3.242 4.692 . 0 0 "[ . 1 . 2]" 1
258 1 28 LEU MD1 1 58 GLY H 5.680 . 5.680 2.860 1.961 3.904 . 0 0 "[ . 1 . 2]" 1
259 1 28 LEU MD2 1 29 SER H 5.570 . 5.570 3.111 2.116 4.150 . 0 0 "[ . 1 . 2]" 1
260 1 28 LEU MD2 1 49 TYR HA 5.220 . 5.220 3.761 2.092 4.186 . 0 0 "[ . 1 . 2]" 1
261 1 28 LEU MD2 1 50 THR MG 6.110 . 6.110 2.685 2.180 3.809 . 0 0 "[ . 1 . 2]" 1
262 1 28 LEU MD2 1 50 THR H 5.490 . 5.490 3.294 2.559 3.932 . 0 0 "[ . 1 . 2]" 1
263 1 28 LEU MD2 1 53 LYS QE 6.910 . 6.910 3.309 2.001 4.977 . 0 0 "[ . 1 . 2]" 1
264 1 28 LEU MD2 1 58 GLY HA3 6.400 . 6.400 3.824 3.339 4.155 . 0 0 "[ . 1 . 2]" 1
265 1 28 LEU MD2 1 58 GLY HA2 6.400 . 6.400 5.210 4.624 5.388 . 0 0 "[ . 1 . 2]" 1
266 1 28 LEU MD2 1 58 GLY H 5.680 . 5.680 4.318 3.231 4.632 . 0 0 "[ . 1 . 2]" 1
267 1 28 LEU QD 1 29 SER H 5.820 . 5.820 2.936 2.113 3.406 . 0 0 "[ . 1 . 2]" 1
268 1 28 LEU QD 1 30 LEU QD 8.410 . 8.410 2.711 1.978 3.506 . 0 0 "[ . 1 . 2]" 1
269 1 28 LEU QD 1 49 TYR HA 5.420 . 5.420 2.651 1.973 3.347 . 0 0 "[ . 1 . 2]" 1
270 1 28 LEU QD 1 49 TYR QB 7.680 . 7.680 3.524 2.786 4.134 . 0 0 "[ . 1 . 2]" 1
271 1 28 LEU QD 1 50 THR MG 6.580 . 6.580 2.583 2.171 3.378 . 0 0 "[ . 1 . 2]" 1
272 1 28 LEU QD 1 50 THR H 5.780 . 5.780 2.658 2.178 3.098 . 0 0 "[ . 1 . 2]" 1
273 1 28 LEU QD 1 53 LYS QD 7.050 . 7.050 3.226 1.873 4.120 . 0 0 "[ . 1 . 2]" 1
274 1 28 LEU QD 1 53 LYS QE 6.970 . 6.970 2.861 1.759 3.874 0.041 2 0 "[ . 1 . 2]" 1
275 1 28 LEU QD 1 57 LYS HA 6.950 . 6.950 2.580 1.933 3.187 . 0 0 "[ . 1 . 2]" 1
276 1 28 LEU QD 1 58 GLY QA 6.660 . 6.660 2.780 1.981 3.173 . 0 0 "[ . 1 . 2]" 1
277 1 28 LEU QD 1 58 GLY H 6.020 . 6.020 2.776 1.959 3.526 . 0 0 "[ . 1 . 2]" 1
278 1 28 LEU HG 1 29 SER H 4.100 . 4.100 2.831 2.429 4.103 0.003 13 0 "[ . 1 . 2]" 1
279 1 28 LEU HG 1 58 GLY QA 5.190 . 5.190 3.988 2.277 4.404 . 0 0 "[ . 1 . 2]" 1
280 1 28 LEU H 1 28 LEU HB3 4.030 . 4.030 2.853 2.536 3.420 . 0 0 "[ . 1 . 2]" 1
281 1 28 LEU H 1 28 LEU HB2 4.180 . 4.180 3.094 2.712 3.317 . 0 0 "[ . 1 . 2]" 1
282 1 28 LEU H 1 28 LEU HG 4.790 . 4.790 4.569 4.307 4.664 . 0 0 "[ . 1 . 2]" 1
283 1 28 LEU H 1 29 SER H 4.670 . 4.670 4.298 4.136 4.440 . 0 0 "[ . 1 . 2]" 1
284 1 28 LEU H 1 59 ILE QG 6.190 . 6.190 4.041 3.522 4.325 . 0 0 "[ . 1 . 2]" 1
285 1 28 LEU H 1 59 ILE H 4.370 . 4.370 3.174 2.682 3.952 . 0 0 "[ . 1 . 2]" 1
286 1 29 SER HA 1 30 LEU H 3.000 . 3.000 2.180 2.142 2.275 . 0 0 "[ . 1 . 2]" 1
287 1 29 SER QB 1 30 LEU H 4.450 . 4.450 3.292 2.727 3.840 . 0 0 "[ . 1 . 2]" 1
288 1 29 SER H 1 29 SER HB3 3.760 . 3.760 2.879 2.351 3.593 . 0 0 "[ . 1 . 2]" 1
289 1 29 SER H 1 29 SER HB2 3.760 . 3.760 2.936 2.079 3.620 . 0 0 "[ . 1 . 2]" 1
290 1 29 SER H 1 29 SER QB 3.880 . 3.880 2.394 2.053 2.877 . 0 0 "[ . 1 . 2]" 1
291 1 29 SER H 1 30 LEU H 4.920 . 4.920 4.539 4.371 4.631 . 0 0 "[ . 1 . 2]" 1
292 1 30 LEU HA 1 31 GLN H 3.560 . 3.560 2.175 2.140 2.214 . 0 0 "[ . 1 . 2]" 1
293 1 30 LEU HA 1 50 THR MG 5.290 . 5.290 3.671 3.311 4.178 . 0 0 "[ . 1 . 2]" 1
294 1 30 LEU QB 1 31 GLN H 4.710 . 4.710 3.298 3.027 3.713 . 0 0 "[ . 1 . 2]" 1
295 1 30 LEU QD 1 31 GLN H 5.790 . 5.790 2.358 1.885 3.231 . 0 0 "[ . 1 . 2]" 1
296 1 30 LEU QD 1 34 ASP HB3 6.760 . 6.760 3.523 3.104 4.367 . 0 0 "[ . 1 . 2]" 1
297 1 30 LEU QD 1 34 ASP HB2 6.540 . 6.540 3.121 2.760 3.990 . 0 0 "[ . 1 . 2]" 1
298 1 30 LEU QD 1 34 ASP H 7.540 . 7.540 4.458 4.004 5.078 . 0 0 "[ . 1 . 2]" 1
299 1 30 LEU QD 1 36 VAL QG 7.630 . 7.630 1.775 1.604 2.061 0.196 18 0 "[ . 1 . 2]" 1
300 1 30 LEU QD 1 50 THR MG 6.240 . 6.240 2.319 1.851 2.822 . 0 0 "[ . 1 . 2]" 1
301 1 30 LEU QD 1 60 PHE QB 6.610 . 6.610 2.083 1.735 2.696 0.065 15 0 "[ . 1 . 2]" 1
302 1 30 LEU QD 1 65 ILE MD 7.250 . 7.250 2.841 2.278 3.506 . 0 0 "[ . 1 . 2]" 1
303 1 30 LEU HG 1 60 PHE QB 6.220 . 6.220 3.566 2.517 4.808 . 0 0 "[ . 1 . 2]" 1
304 1 30 LEU H 1 30 LEU MD1 5.680 . 5.680 4.294 4.054 4.476 . 0 0 "[ . 1 . 2]" 1
305 1 30 LEU H 1 30 LEU MD2 5.680 . 5.680 4.059 3.243 4.578 . 0 0 "[ . 1 . 2]" 1
306 1 30 LEU H 1 30 LEU HG 4.760 . 4.760 4.209 3.610 4.772 0.012 20 0 "[ . 1 . 2]" 1
307 1 31 GLN HA 1 32 ILE H 2.810 . 2.810 2.336 2.239 2.407 . 0 0 "[ . 1 . 2]" 1
308 1 31 GLN HB3 1 32 ILE H 3.640 . 3.640 2.619 2.421 2.860 . 0 0 "[ . 1 . 2]" 1
309 1 31 GLN HB2 1 32 ILE H 4.350 . 4.350 3.764 3.490 4.023 . 0 0 "[ . 1 . 2]" 1
310 1 31 GLN HB2 1 34 ASP H 4.820 . 4.820 4.501 4.025 4.820 . 0 0 "[ . 1 . 2]" 1
311 1 31 GLN QG 1 32 ILE H 5.350 . 5.350 3.954 3.518 4.326 . 0 0 "[ . 1 . 2]" 1
312 1 31 GLN H 1 31 GLN HB3 3.980 . 3.980 3.764 3.608 3.848 . 0 0 "[ . 1 . 2]" 1
313 1 31 GLN H 1 31 GLN HB2 3.380 . 3.380 2.652 2.431 2.834 . 0 0 "[ . 1 . 2]" 1
314 1 31 GLN H 1 31 GLN QG 4.570 . 4.570 3.128 2.728 3.792 . 0 0 "[ . 1 . 2]" 1
315 1 31 GLN H 1 32 ILE H 4.640 . 4.640 4.463 4.429 4.496 . 0 0 "[ . 1 . 2]" 1
316 1 31 GLN H 1 34 ASP HB3 4.110 . 4.110 4.018 3.802 4.113 0.003 2 0 "[ . 1 . 2]" 1
317 1 31 GLN H 1 34 ASP HB2 4.010 . 4.010 2.881 2.686 3.019 . 0 0 "[ . 1 . 2]" 1
318 1 31 GLN H 1 34 ASP H 4.790 . 4.790 4.507 4.360 4.678 . 0 0 "[ . 1 . 2]" 1
319 1 31 GLN H 1 50 THR MG 6.130 . 6.130 4.116 3.853 4.432 . 0 0 "[ . 1 . 2]" 1
320 1 32 ILE HA 1 32 ILE HG13 3.970 . 3.970 2.872 2.706 3.141 . 0 0 "[ . 1 . 2]" 1
321 1 32 ILE HA 1 32 ILE HG12 3.760 . 3.760 2.778 2.559 2.941 . 0 0 "[ . 1 . 2]" 1
322 1 32 ILE HA 1 33 GLY H 2.820 . 2.820 2.175 2.144 2.225 . 0 0 "[ . 1 . 2]" 1
323 1 32 ILE HA 1 34 ASP H 3.860 . 3.860 3.305 3.196 3.396 . 0 0 "[ . 1 . 2]" 1
324 1 32 ILE HB 1 33 GLY H 4.400 . 4.400 4.026 3.874 4.161 . 0 0 "[ . 1 . 2]" 1
325 1 32 ILE HG13 1 33 GLY H 5.220 . 5.220 4.895 4.745 5.126 . 0 0 "[ . 1 . 2]" 1
326 1 32 ILE HG12 1 33 GLY H 4.520 . 4.520 4.507 4.431 4.533 0.013 10 0 "[ . 1 . 2]" 1
327 1 32 ILE MG 1 33 GLY QA 5.730 . 5.730 3.087 2.941 3.260 . 0 0 "[ . 1 . 2]" 1
328 1 32 ILE MG 1 33 GLY H 4.510 . 4.510 2.312 1.983 2.625 . 0 0 "[ . 1 . 2]" 1
329 1 32 ILE MG 1 34 ASP H 5.490 . 5.490 4.283 4.146 4.432 . 0 0 "[ . 1 . 2]" 1
330 1 32 ILE H 1 32 ILE HB 3.210 . 3.210 2.606 2.587 2.627 . 0 0 "[ . 1 . 2]" 1
331 1 32 ILE H 1 32 ILE MD 4.950 . 4.950 3.218 2.936 3.562 . 0 0 "[ . 1 . 2]" 1
332 1 32 ILE H 1 32 ILE HG13 3.740 . 3.740 2.001 1.957 2.054 . 0 0 "[ . 1 . 2]" 1
333 1 32 ILE H 1 32 ILE HG12 3.570 . 3.570 3.458 3.173 3.574 0.004 16 0 "[ . 1 . 2]" 1
334 1 32 ILE H 1 33 GLY H 4.610 . 4.610 4.580 4.536 4.615 0.005 2 0 "[ . 1 . 2]" 1
335 1 33 GLY H 1 34 ASP H 3.710 . 3.710 2.477 2.385 2.581 . 0 0 "[ . 1 . 2]" 1
336 1 34 ASP HA 1 35 THR H 2.820 . 2.820 2.234 2.180 2.297 . 0 0 "[ . 1 . 2]" 1
337 1 34 ASP HB3 1 35 THR H 3.890 . 3.890 2.924 2.715 3.164 . 0 0 "[ . 1 . 2]" 1
338 1 34 ASP HB3 1 50 THR MG 5.010 . 5.010 2.564 2.482 2.720 . 0 0 "[ . 1 . 2]" 1
339 1 34 ASP HB2 1 35 THR H 4.290 . 4.290 4.102 3.967 4.248 . 0 0 "[ . 1 . 2]" 1
340 1 34 ASP HB2 1 50 THR MG 5.120 . 5.120 3.596 3.464 3.711 . 0 0 "[ . 1 . 2]" 1
341 1 34 ASP H 1 34 ASP HB3 3.650 . 3.650 3.583 3.560 3.595 . 0 0 "[ . 1 . 2]" 1
342 1 34 ASP H 1 34 ASP HB2 2.970 . 2.970 2.323 2.294 2.341 . 0 0 "[ . 1 . 2]" 1
343 1 34 ASP H 1 35 THR H 4.720 . 4.720 4.555 4.518 4.587 . 0 0 "[ . 1 . 2]" 1
344 1 34 ASP H 1 50 THR MG 6.520 . 6.520 5.371 5.278 5.425 . 0 0 "[ . 1 . 2]" 1
345 1 35 THR HA 1 36 VAL H 3.070 . 3.070 2.264 2.161 2.392 . 0 0 "[ . 1 . 2]" 1
346 1 35 THR HB 1 36 VAL H 4.390 . 4.390 3.800 3.335 4.159 . 0 0 "[ . 1 . 2]" 1
347 1 35 THR HB 1 51 LEU QB 5.270 . 5.270 2.466 1.986 3.051 . 0 0 "[ . 1 . 2]" 1
348 1 35 THR HB 1 51 LEU MD1 5.680 . 5.680 3.961 1.971 4.540 . 0 0 "[ . 1 . 2]" 1
349 1 35 THR HB 1 51 LEU MD2 5.680 . 5.680 2.422 1.908 4.722 . 0 0 "[ . 1 . 2]" 1
350 1 35 THR HB 1 51 LEU QD 5.590 . 5.590 2.145 1.905 2.779 . 0 0 "[ . 1 . 2]" 1
351 1 35 THR HB 1 51 LEU HG 4.140 . 4.140 2.879 2.338 4.141 0.001 13 0 "[ . 1 . 2]" 1
352 1 35 THR HB 1 51 LEU H 4.500 . 4.500 3.322 2.878 3.792 . 0 0 "[ . 1 . 2]" 1
353 1 35 THR MG 1 36 VAL HB 6.520 . 6.520 5.206 5.182 5.277 . 0 0 "[ . 1 . 2]" 1
354 1 35 THR MG 1 36 VAL H 4.600 . 4.600 2.182 1.952 2.589 . 0 0 "[ . 1 . 2]" 1
355 1 35 THR MG 1 51 LEU QB 6.130 . 6.130 3.635 3.206 4.102 . 0 0 "[ . 1 . 2]" 1
356 1 35 THR MG 1 51 LEU QD 7.720 . 7.720 1.994 1.822 2.150 . 0 0 "[ . 1 . 2]" 1
357 1 35 THR MG 1 51 LEU HG 4.940 . 4.940 2.939 2.304 3.872 . 0 0 "[ . 1 . 2]" 1
358 1 35 THR H 1 35 THR HB 3.430 . 3.430 2.625 2.505 2.789 . 0 0 "[ . 1 . 2]" 1
359 1 35 THR H 1 36 VAL H 4.710 . 4.710 4.549 4.466 4.585 . 0 0 "[ . 1 . 2]" 1
360 1 35 THR H 1 51 LEU QD 6.820 . 6.820 4.015 3.483 4.509 . 0 0 "[ . 1 . 2]" 1
361 1 36 VAL HA 1 37 HIS H 3.360 . 3.360 2.188 2.172 2.225 . 0 0 "[ . 1 . 2]" 1
362 1 36 VAL HB 1 37 HIS H 4.440 . 4.440 2.989 2.837 3.048 . 0 0 "[ . 1 . 2]" 1
363 1 36 VAL HB 1 50 THR HA 4.480 . 4.480 3.870 3.608 4.173 . 0 0 "[ . 1 . 2]" 1
364 1 36 VAL HB 1 50 THR MG 5.520 . 5.520 3.745 3.528 3.978 . 0 0 "[ . 1 . 2]" 1
365 1 36 VAL MG1 1 37 HIS H 5.460 . 5.460 3.737 3.604 3.854 . 0 0 "[ . 1 . 2]" 1
366 1 36 VAL MG1 1 50 THR HA 5.900 . 5.900 2.628 2.204 3.213 . 0 0 "[ . 1 . 2]" 1
367 1 36 VAL MG1 1 65 ILE MD 6.130 . 6.130 3.721 3.269 4.056 . 0 0 "[ . 1 . 2]" 1
368 1 36 VAL MG2 1 37 HIS H 5.460 . 5.460 3.947 3.768 4.060 . 0 0 "[ . 1 . 2]" 1
369 1 36 VAL MG2 1 50 THR HA 5.900 . 5.900 4.583 4.402 4.797 . 0 0 "[ . 1 . 2]" 1
370 1 36 VAL MG2 1 65 ILE MD 6.130 . 6.130 2.534 2.039 2.777 . 0 0 "[ . 1 . 2]" 1
371 1 36 VAL QG 1 37 HIS H 5.770 . 5.770 3.410 3.360 3.454 . 0 0 "[ . 1 . 2]" 1
372 1 36 VAL QG 1 38 ILE MD 6.850 . 6.850 3.232 2.281 3.569 . 0 0 "[ . 1 . 2]" 1
373 1 36 VAL QG 1 38 ILE QG 6.960 . 6.960 3.106 2.696 4.038 . 0 0 "[ . 1 . 2]" 1
374 1 36 VAL QG 1 50 THR HA 5.590 . 5.590 2.610 2.198 3.167 . 0 0 "[ . 1 . 2]" 1
375 1 36 VAL QG 1 50 THR HB 6.740 . 6.740 3.847 3.554 4.213 . 0 0 "[ . 1 . 2]" 1
376 1 36 VAL QG 1 50 THR MG 6.280 . 6.280 1.730 1.670 1.875 0.130 17 0 "[ . 1 . 2]" 1
377 1 36 VAL QG 1 50 THR H 6.680 . 6.680 3.694 3.380 4.258 . 0 0 "[ . 1 . 2]" 1
378 1 36 VAL QG 1 51 LEU H 6.590 . 6.590 3.951 3.650 4.348 . 0 0 "[ . 1 . 2]" 1
379 1 36 VAL QG 1 65 ILE MD 6.090 . 6.090 2.491 2.023 2.723 . 0 0 "[ . 1 . 2]" 1
380 1 36 VAL QG 1 65 ILE MG 6.820 . 6.820 2.777 2.517 3.061 . 0 0 "[ . 1 . 2]" 1
381 1 36 VAL H 1 37 HIS H 5.140 . 5.140 4.365 4.287 4.462 . 0 0 "[ . 1 . 2]" 1
382 1 36 VAL H 1 51 LEU QD 7.420 . 7.420 3.582 3.189 4.309 . 0 0 "[ . 1 . 2]" 1
383 1 37 HIS HB3 1 51 LEU MD1 6.520 . 6.520 5.118 4.475 5.346 . 0 0 "[ . 1 . 2]" 1
384 1 37 HIS HB3 1 51 LEU MD2 6.520 . 6.520 4.117 3.623 5.285 . 0 0 "[ . 1 . 2]" 1
385 1 37 HIS HB2 1 51 LEU MD1 6.520 . 6.520 4.027 3.448 4.666 . 0 0 "[ . 1 . 2]" 1
386 1 37 HIS HB2 1 51 LEU MD2 6.520 . 6.520 3.052 2.400 4.493 . 0 0 "[ . 1 . 2]" 1
387 1 37 HIS QB 1 51 LEU QD 6.770 . 6.770 2.843 2.355 3.683 . 0 0 "[ . 1 . 2]" 1
388 1 37 HIS H 1 37 HIS HB3 3.930 . 3.930 2.617 2.441 3.638 . 0 0 "[ . 1 . 2]" 1
389 1 37 HIS H 1 37 HIS HB2 3.930 . 3.930 2.805 2.415 2.960 . 0 0 "[ . 1 . 2]" 1
390 1 37 HIS H 1 49 TYR QD 6.620 . 6.620 4.280 3.803 4.665 . 0 0 "[ . 1 . 2]" 1
391 1 37 HIS H 1 49 TYR QE 7.480 . 7.480 4.986 4.733 5.487 . 0 0 "[ . 1 . 2]" 1
392 1 37 HIS H 1 49 TYR H 4.100 . 4.100 2.875 2.626 3.407 . 0 0 "[ . 1 . 2]" 1
393 1 37 HIS H 1 50 THR HA 3.290 . 3.290 3.208 2.719 3.306 0.016 10 0 "[ . 1 . 2]" 1
394 1 38 ILE HA 1 39 LEU H 3.170 . 3.170 2.147 2.123 2.182 . 0 0 "[ . 1 . 2]" 1
395 1 38 ILE HA 1 40 GLU H 4.530 . 4.530 3.702 3.482 4.031 . 0 0 "[ . 1 . 2]" 1
396 1 38 ILE HA 1 48 GLY HA3 4.210 . 4.210 2.532 2.215 2.831 . 0 0 "[ . 1 . 2]" 1
397 1 38 ILE HA 1 48 GLY HA2 4.210 . 4.210 3.522 3.117 3.970 . 0 0 "[ . 1 . 2]" 1
398 1 38 ILE MD 1 65 ILE MD 7.040 . 7.040 4.247 3.534 4.591 . 0 0 "[ . 1 . 2]" 1
399 1 38 ILE MD 1 65 ILE QG 6.680 . 6.680 4.276 3.755 4.711 . 0 0 "[ . 1 . 2]" 1
400 1 38 ILE MD 1 65 ILE MG 5.730 . 5.730 2.419 1.940 2.748 . 0 0 "[ . 1 . 2]" 1
401 1 38 ILE MD 1 67 LEU QD 6.450 . 6.450 2.087 1.684 3.100 0.116 1 0 "[ . 1 . 2]" 1
402 1 38 ILE MG 1 39 LEU H 5.060 . 5.060 2.647 2.304 3.046 . 0 0 "[ . 1 . 2]" 1
403 1 38 ILE MG 1 40 GLU H 4.620 . 4.620 2.682 2.189 3.208 . 0 0 "[ . 1 . 2]" 1
404 1 38 ILE MG 1 41 THR MG 6.140 . 6.140 3.379 1.949 4.202 . 0 0 "[ . 1 . 2]" 1
405 1 38 ILE MG 1 46 TYR HB3 5.340 . 5.340 2.035 1.805 2.466 . 0 0 "[ . 1 . 2]" 1
406 1 38 ILE MG 1 46 TYR HB2 5.340 . 5.340 2.741 2.140 3.268 . 0 0 "[ . 1 . 2]" 1
407 1 38 ILE MG 1 46 TYR QB 5.640 . 5.640 1.977 1.787 2.367 0.013 16 0 "[ . 1 . 2]" 1
408 1 38 ILE MG 1 47 ARG H 5.240 . 5.240 3.271 2.785 4.049 . 0 0 "[ . 1 . 2]" 1
409 1 38 ILE H 1 38 ILE HB 3.670 . 3.670 2.639 2.528 2.940 . 0 0 "[ . 1 . 2]" 1
410 1 38 ILE H 1 38 ILE MD 5.330 . 5.330 2.681 2.189 3.614 . 0 0 "[ . 1 . 2]" 1
411 1 38 ILE H 1 38 ILE HG13 4.140 . 4.140 2.367 1.998 3.479 . 0 0 "[ . 1 . 2]" 1
412 1 38 ILE H 1 38 ILE HG12 4.140 . 4.140 3.511 1.910 3.798 . 0 0 "[ . 1 . 2]" 1
413 1 38 ILE H 1 38 ILE QG 4.410 . 4.410 2.196 1.901 2.415 . 0 0 "[ . 1 . 2]" 1
414 1 39 LEU HB3 1 40 GLU H 4.160 . 4.160 3.584 2.392 4.164 0.004 16 0 "[ . 1 . 2]" 1
415 1 39 LEU HB2 1 40 GLU H 4.160 . 4.160 3.905 3.572 4.164 0.004 7 0 "[ . 1 . 2]" 1
416 1 39 LEU QB 1 40 GLU QB 6.520 . 6.520 4.005 3.409 4.505 . 0 0 "[ . 1 . 2]" 1
417 1 39 LEU QB 1 40 GLU H 4.310 . 4.310 3.222 2.363 3.688 . 0 0 "[ . 1 . 2]" 1
418 1 39 LEU QB 1 48 GLY QA 5.810 . 5.810 2.930 1.986 3.748 . 0 0 "[ . 1 . 2]" 1
419 1 39 LEU QB 1 49 TYR H 6.100 . 6.100 4.603 3.746 5.259 . 0 0 "[ . 1 . 2]" 1
420 1 39 LEU MD1 1 57 LYS QG 7.400 . 7.400 4.367 2.496 5.375 . 0 0 "[ . 1 . 2]" 1
421 1 39 LEU MD2 1 57 LYS QG 7.400 . 7.400 3.635 2.314 5.552 . 0 0 "[ . 1 . 2]" 1
422 1 39 LEU QD 1 40 GLU H 6.880 . 6.880 2.751 1.934 3.218 . 0 0 "[ . 1 . 2]" 1
423 1 39 LEU QD 1 48 GLY QA 6.890 . 6.890 2.550 1.871 3.920 . 0 0 "[ . 1 . 2]" 1
424 1 39 LEU QD 1 49 TYR H 6.990 . 6.990 4.174 3.566 5.265 . 0 0 "[ . 1 . 2]" 1
425 1 39 LEU QD 1 57 LYS QD 7.340 . 7.340 3.167 1.998 4.242 . 0 0 "[ . 1 . 2]" 1
426 1 39 LEU QD 1 57 LYS QE 7.170 . 7.170 2.697 1.863 4.198 . 0 0 "[ . 1 . 2]" 1
427 1 39 LEU QD 1 57 LYS QG 7.150 . 7.150 3.154 2.302 4.384 . 0 0 "[ . 1 . 2]" 1
428 1 39 LEU HG 1 48 GLY QA 5.600 . 5.600 3.178 1.935 4.739 . 0 0 "[ . 1 . 2]" 1
429 1 39 LEU H 1 39 LEU MD1 5.480 . 5.480 3.643 2.723 4.427 . 0 0 "[ . 1 . 2]" 1
430 1 39 LEU H 1 39 LEU MD2 5.480 . 5.480 3.631 3.116 4.238 . 0 0 "[ . 1 . 2]" 1
431 1 39 LEU H 1 40 GLU H 3.170 . 3.170 2.033 1.887 2.300 . 0 0 "[ . 1 . 2]" 1
432 1 39 LEU H 1 47 ARG H 5.060 . 5.060 4.031 3.784 4.332 . 0 0 "[ . 1 . 2]" 1
433 1 39 LEU H 1 48 GLY HA3 4.180 . 4.180 2.959 2.433 3.368 . 0 0 "[ . 1 . 2]" 1
434 1 39 LEU H 1 48 GLY HA2 4.180 . 4.180 2.761 2.103 3.412 . 0 0 "[ . 1 . 2]" 1
435 1 39 LEU H 1 49 TYR H 5.390 . 5.390 4.678 4.001 5.098 . 0 0 "[ . 1 . 2]" 1
436 1 40 GLU H 1 40 GLU HB3 3.980 . 3.980 3.519 3.174 3.781 . 0 0 "[ . 1 . 2]" 1
437 1 40 GLU H 1 40 GLU HB2 3.980 . 3.980 2.604 2.410 2.833 . 0 0 "[ . 1 . 2]" 1
438 1 40 GLU H 1 47 ARG HA 5.240 . 5.240 4.690 4.416 4.999 . 0 0 "[ . 1 . 2]" 1
439 1 40 GLU H 1 47 ARG QG 5.340 . 5.340 4.593 4.305 4.719 . 0 0 "[ . 1 . 2]" 1
440 1 40 GLU H 1 47 ARG H 4.060 . 4.060 2.815 2.658 3.009 . 0 0 "[ . 1 . 2]" 1
441 1 40 GLU H 1 48 GLY HA3 4.750 . 4.750 4.553 4.275 4.755 0.005 3 0 "[ . 1 . 2]" 1
442 1 40 GLU H 1 48 GLY HA2 4.750 . 4.750 4.133 3.643 4.415 . 0 0 "[ . 1 . 2]" 1
443 1 40 GLU H 1 48 GLY QA 4.850 . 4.850 3.833 3.452 4.059 . 0 0 "[ . 1 . 2]" 1
444 1 41 THR MG 1 46 TYR QB 6.680 . 6.680 3.907 1.917 4.814 . 0 0 "[ . 1 . 2]" 1
445 1 42 TYR H 1 43 GLU H 2.900 . 2.900 2.302 1.919 2.713 . 0 0 "[ . 1 . 2]" 1
446 1 43 GLU H 1 44 GLY H 3.500 2.080 3.500 3.462 2.509 3.531 0.031 4 0 "[ . 1 . 2]" 1
447 1 44 GLY H 1 45 TRP H 2.900 . 2.900 2.611 2.459 2.700 . 0 0 "[ . 1 . 2]" 1
448 1 43 GLU QB 1 44 GLY H 5.510 . 5.510 3.709 2.002 3.976 . 0 0 "[ . 1 . 2]" 1
449 1 44 GLY HA3 1 62 ALA MB 6.120 . 6.120 3.665 3.261 4.050 . 0 0 "[ . 1 . 2]" 1
450 1 44 GLY HA2 1 62 ALA MB 6.120 . 6.120 2.226 1.873 2.577 . 0 0 "[ . 1 . 2]" 1
451 1 44 GLY QA 1 62 ALA MB 6.140 . 6.140 2.207 1.862 2.549 . 0 0 "[ . 1 . 2]" 1
452 1 45 TRP HA 1 61 PRO HA 3.740 . 3.740 3.006 2.715 3.465 . 0 0 "[ . 1 . 2]" 1
453 1 45 TRP HA 1 62 ALA H 4.050 . 4.050 4.035 3.759 4.069 0.019 16 0 "[ . 1 . 2]" 1
454 1 46 TYR HA 1 47 ARG H 3.540 . 3.540 2.293 2.231 2.425 . 0 0 "[ . 1 . 2]" 1
455 1 46 TYR HB3 1 47 ARG H 4.420 . 4.420 2.749 2.417 2.930 . 0 0 "[ . 1 . 2]" 1
456 1 46 TYR HB2 1 47 ARG H 4.420 . 4.420 3.526 3.185 3.709 . 0 0 "[ . 1 . 2]" 1
457 1 46 TYR QB 1 47 ARG H 4.570 . 4.570 2.656 2.359 2.811 . 0 0 "[ . 1 . 2]" 1
458 1 46 TYR QD 1 47 ARG H 6.240 . 6.240 4.295 4.197 4.401 . 0 0 "[ . 1 . 2]" 1
459 1 47 ARG HA 1 48 GLY H 3.150 . 3.150 2.232 2.149 2.314 . 0 0 "[ . 1 . 2]" 1
460 1 47 ARG HA 1 59 ILE HA 3.360 . 3.360 1.986 1.903 2.389 . 0 0 "[ . 1 . 2]" 1
461 1 47 ARG HA 1 59 ILE MG 4.940 . 4.940 2.183 1.885 2.787 . 0 0 "[ . 1 . 2]" 1
462 1 47 ARG QB 1 48 GLY H 4.990 . 4.990 3.574 2.960 3.973 . 0 0 "[ . 1 . 2]" 1
463 1 47 ARG QG 1 48 GLY H 5.290 . 5.290 2.447 1.978 3.957 . 0 0 "[ . 1 . 2]" 1
464 1 47 ARG QG 1 59 ILE MG 6.870 . 6.870 2.104 1.782 3.007 0.018 10 0 "[ . 1 . 2]" 1
465 1 47 ARG H 1 47 ARG QG 4.980 . 4.980 4.050 3.455 4.125 . 0 0 "[ . 1 . 2]" 1
466 1 47 ARG H 1 48 GLY H 4.950 . 4.950 4.430 4.050 4.540 . 0 0 "[ . 1 . 2]" 1
467 1 47 ARG H 1 59 ILE HB 5.500 . 5.500 5.344 5.021 5.513 0.013 2 0 "[ . 1 . 2]" 1
468 1 48 GLY H 1 49 TYR H 4.680 . 4.680 4.341 4.286 4.463 . 0 0 "[ . 1 . 2]" 1
469 1 48 GLY H 1 59 ILE HA 4.070 . 4.070 3.245 2.863 3.556 . 0 0 "[ . 1 . 2]" 1
470 1 48 GLY H 1 59 ILE MG 5.440 . 5.440 3.736 3.360 4.355 . 0 0 "[ . 1 . 2]" 1
471 1 49 TYR HA 1 50 THR MG 5.670 . 5.670 4.346 3.715 4.656 . 0 0 "[ . 1 . 2]" 1
472 1 49 TYR HA 1 50 THR H 3.230 . 3.230 2.203 2.146 2.291 . 0 0 "[ . 1 . 2]" 1
473 1 49 TYR HB3 1 50 THR H 4.150 . 4.150 4.002 3.780 4.150 0.000 18 0 "[ . 1 . 2]" 1
474 1 49 TYR HB3 1 54 LYS HA 4.740 . 4.740 3.930 3.631 4.320 . 0 0 "[ . 1 . 2]" 1
475 1 49 TYR HB3 1 57 LYS HA 4.150 . 4.150 2.738 2.321 3.319 . 0 0 "[ . 1 . 2]" 1
476 1 49 TYR HB2 1 50 THR H 4.150 . 4.150 3.046 2.706 3.346 . 0 0 "[ . 1 . 2]" 1
477 1 49 TYR HB2 1 54 LYS HA 4.740 . 4.740 2.436 2.030 2.822 . 0 0 "[ . 1 . 2]" 1
478 1 49 TYR HB2 1 57 LYS HA 4.150 . 4.150 3.815 3.253 4.149 . 0 0 "[ . 1 . 2]" 1
479 1 49 TYR QB 1 50 THR H 4.330 . 4.330 2.955 2.652 3.211 . 0 0 "[ . 1 . 2]" 1
480 1 49 TYR QB 1 54 LYS HA 4.750 . 4.750 2.413 2.021 2.787 . 0 0 "[ . 1 . 2]" 1
481 1 49 TYR QB 1 57 LYS HA 4.520 . 4.520 2.673 2.300 3.193 . 0 0 "[ . 1 . 2]" 1
482 1 49 TYR QB 1 58 GLY H 5.480 . 5.480 4.124 3.717 4.612 . 0 0 "[ . 1 . 2]" 1
483 1 49 TYR QD 1 50 THR H 6.170 . 6.170 4.177 3.794 4.428 . 0 0 "[ . 1 . 2]" 1
484 1 49 TYR H 1 49 TYR QE 7.080 . 7.080 4.156 3.788 4.458 . 0 0 "[ . 1 . 2]" 1
485 1 4 TRP H 1 4 TRP HB3 4.190 . 4.190 3.252 2.717 4.054 . 0 0 "[ . 1 . 2]" 1
486 1 4 TRP H 1 4 TRP HB2 4.190 . 4.190 2.537 2.073 3.284 . 0 0 "[ . 1 . 2]" 1
487 1 50 THR HA 1 51 LEU QD 7.160 . 7.160 3.369 2.942 4.497 . 0 0 "[ . 1 . 2]" 1
488 1 50 THR HA 1 51 LEU H 2.810 . 2.810 2.300 2.225 2.423 . 0 0 "[ . 1 . 2]" 1
489 1 50 THR HA 1 52 ARG H 4.330 . 4.330 4.089 3.952 4.318 . 0 0 "[ . 1 . 2]" 1
490 1 50 THR HB 1 51 LEU H 3.280 . 3.280 2.834 2.524 3.084 . 0 0 "[ . 1 . 2]" 1
491 1 50 THR HB 1 52 ARG QG 5.490 . 5.490 4.122 1.980 4.915 . 0 0 "[ . 1 . 2]" 1
492 1 50 THR HB 1 52 ARG H 3.650 . 3.650 2.425 2.336 2.616 . 0 0 "[ . 1 . 2]" 1
493 1 50 THR HB 1 53 LYS H 4.730 . 4.730 2.774 2.294 3.499 . 0 0 "[ . 1 . 2]" 1
494 1 50 THR MG 1 51 LEU H 4.980 . 4.980 3.215 2.976 3.795 . 0 0 "[ . 1 . 2]" 1
495 1 50 THR MG 1 52 ARG H 5.370 . 5.370 3.844 3.659 4.189 . 0 0 "[ . 1 . 2]" 1
496 1 50 THR MG 1 53 LYS QD 7.400 . 7.400 4.452 3.244 5.409 . 0 0 "[ . 1 . 2]" 1
497 1 50 THR MG 1 53 LYS H 5.810 . 5.810 4.200 3.916 4.447 . 0 0 "[ . 1 . 2]" 1
498 1 50 THR H 1 50 THR MG 4.580 . 4.580 2.926 2.359 3.202 . 0 0 "[ . 1 . 2]" 1
499 1 50 THR H 1 51 LEU H 4.760 . 4.760 4.622 4.594 4.638 . 0 0 "[ . 1 . 2]" 1
500 1 50 THR H 1 57 LYS HA 5.500 . 5.500 4.581 4.217 4.944 . 0 0 "[ . 1 . 2]" 1
501 1 51 LEU HA 1 51 LEU HG 3.850 . 3.850 3.539 2.430 3.712 . 0 0 "[ . 1 . 2]" 1
502 1 51 LEU HA 1 54 LYS QB 6.210 . 6.210 5.047 4.521 5.432 . 0 0 "[ . 1 . 2]" 1
503 1 51 LEU HA 1 54 LYS QE 5.010 . 5.010 3.156 1.969 4.103 . 0 0 "[ . 1 . 2]" 1
504 1 51 LEU HA 1 54 LYS QG 4.840 . 4.840 3.039 2.383 3.907 . 0 0 "[ . 1 . 2]" 1
505 1 51 LEU HB3 1 52 ARG H 3.670 . 3.670 3.499 3.358 3.666 . 0 0 "[ . 1 . 2]" 1
506 1 51 LEU HB2 1 52 ARG H 3.670 . 3.670 3.005 2.849 3.135 . 0 0 "[ . 1 . 2]" 1
507 1 51 LEU MD1 1 52 ARG H 6.520 . 6.520 4.677 4.457 4.767 . 0 0 "[ . 1 . 2]" 1
508 1 51 LEU MD2 1 52 ARG H 6.520 . 6.520 4.246 3.952 4.956 . 0 0 "[ . 1 . 2]" 1
509 1 51 LEU QD 1 52 ARG H 6.940 . 6.940 3.930 3.771 4.246 . 0 0 "[ . 1 . 2]" 1
510 1 51 LEU QD 1 54 LYS QE 6.920 . 6.920 2.529 1.841 3.405 . 0 0 "[ . 1 . 2]" 1
511 1 51 LEU H 1 51 LEU HB3 3.690 . 3.690 3.491 3.431 3.547 . 0 0 "[ . 1 . 2]" 1
512 1 51 LEU H 1 51 LEU HB2 3.690 . 3.690 2.192 2.115 2.304 . 0 0 "[ . 1 . 2]" 1
513 1 51 LEU H 1 51 LEU MD1 5.070 . 5.070 3.832 3.013 4.016 . 0 0 "[ . 1 . 2]" 1
514 1 51 LEU H 1 51 LEU MD2 5.070 . 5.070 2.358 1.966 4.134 . 0 0 "[ . 1 . 2]" 1
515 1 51 LEU H 1 52 ARG H 3.620 . 3.620 2.626 2.472 2.695 . 0 0 "[ . 1 . 2]" 1
516 1 51 LEU H 1 53 LYS H 4.950 . 4.950 4.349 3.996 4.874 . 0 0 "[ . 1 . 2]" 1
517 1 52 ARG QB 1 53 LYS H 4.280 . 4.280 2.586 2.006 3.535 . 0 0 "[ . 1 . 2]" 1
518 1 52 ARG QG 1 53 LYS H 5.120 . 5.120 4.113 2.258 4.503 . 0 0 "[ . 1 . 2]" 1
519 1 52 ARG H 1 52 ARG QG 4.310 . 4.310 2.708 1.966 3.469 . 0 0 "[ . 1 . 2]" 1
520 1 52 ARG H 1 53 LYS H 3.400 . 3.400 2.607 2.343 2.920 . 0 0 "[ . 1 . 2]" 1
521 1 53 LYS HA 1 54 LYS H 3.320 . 3.320 2.302 2.183 2.464 . 0 0 "[ . 1 . 2]" 1
522 1 53 LYS HA 1 55 SER H 4.330 . 4.330 3.362 3.050 3.557 . 0 0 "[ . 1 . 2]" 1
523 1 53 LYS QB 1 55 SER H 5.090 . 5.090 3.780 3.514 4.195 . 0 0 "[ . 1 . 2]" 1
524 1 53 LYS QB 1 56 LYS H 4.090 . 4.090 2.824 2.557 3.193 . 0 0 "[ . 1 . 2]" 1
525 1 53 LYS QD 1 56 LYS QB 6.360 . 6.360 3.152 1.975 4.875 . 0 0 "[ . 1 . 2]" 1
526 1 53 LYS QG 1 56 LYS H 5.500 . 5.500 4.013 3.213 4.878 . 0 0 "[ . 1 . 2]" 1
527 1 53 LYS H 1 53 LYS QG 4.890 . 4.890 2.542 1.941 3.745 . 0 0 "[ . 1 . 2]" 1
528 1 53 LYS H 1 54 LYS H 4.230 . 4.230 3.741 3.326 4.084 . 0 0 "[ . 1 . 2]" 1
529 1 54 LYS HA 1 54 LYS QE 5.560 . 5.560 4.512 3.741 4.782 . 0 0 "[ . 1 . 2]" 1
530 1 54 LYS QB 1 55 SER H 4.630 . 4.630 2.873 2.727 3.387 . 0 0 "[ . 1 . 2]" 1
531 1 54 LYS QD 1 55 SER H 6.380 . 6.380 5.006 4.275 5.620 . 0 0 "[ . 1 . 2]" 1
532 1 54 LYS QG 1 55 SER H 5.440 . 5.440 4.247 3.894 4.603 . 0 0 "[ . 1 . 2]" 1
533 1 54 LYS H 1 54 LYS QD 5.090 . 5.090 3.773 2.572 4.333 . 0 0 "[ . 1 . 2]" 1
534 1 54 LYS H 1 54 LYS QG 4.490 . 4.490 2.590 2.046 3.650 . 0 0 "[ . 1 . 2]" 1
535 1 54 LYS H 1 55 SER H 4.340 . 4.340 2.514 2.395 2.639 . 0 0 "[ . 1 . 2]" 1
536 1 54 LYS H 1 56 LYS H 4.930 . 4.930 4.298 3.943 4.923 . 0 0 "[ . 1 . 2]" 1
537 1 55 SER HB3 1 56 LYS H 4.670 . 4.670 3.252 2.246 4.231 . 0 0 "[ . 1 . 2]" 1
538 1 55 SER HB2 1 56 LYS H 4.670 . 4.670 3.350 2.222 4.075 . 0 0 "[ . 1 . 2]" 1
539 1 55 SER QB 1 56 LYS H 4.920 . 4.920 2.763 2.205 3.545 . 0 0 "[ . 1 . 2]" 1
540 1 55 SER H 1 55 SER HB3 3.880 . 3.880 3.041 2.386 3.591 . 0 0 "[ . 1 . 2]" 1
541 1 55 SER H 1 55 SER HB2 3.880 . 3.880 2.636 2.071 3.620 . 0 0 "[ . 1 . 2]" 1
542 1 55 SER H 1 56 LYS QB 6.220 . 6.220 4.427 4.101 4.801 . 0 0 "[ . 1 . 2]" 1
543 1 55 SER H 1 56 LYS H 3.500 . 3.500 2.648 2.271 3.010 . 0 0 "[ . 1 . 2]" 1
544 1 56 LYS HA 1 57 LYS H 2.760 . 2.760 2.213 2.137 2.309 . 0 0 "[ . 1 . 2]" 1
545 1 56 LYS QG 1 57 LYS H 4.660 . 4.660 2.830 2.145 3.438 . 0 0 "[ . 1 . 2]" 1
546 1 56 LYS H 1 56 LYS HB3 3.310 . 3.310 3.020 2.704 3.317 0.007 16 0 "[ . 1 . 2]" 1
547 1 56 LYS H 1 56 LYS HB2 3.310 . 3.310 2.276 2.082 2.631 . 0 0 "[ . 1 . 2]" 1
548 1 56 LYS H 1 56 LYS QD 5.640 . 5.640 4.018 3.199 4.751 . 0 0 "[ . 1 . 2]" 1
549 1 56 LYS H 1 56 LYS QG 4.940 . 4.940 3.913 3.351 4.119 . 0 0 "[ . 1 . 2]" 1
550 1 56 LYS H 1 57 LYS H 4.650 . 4.650 4.543 4.421 4.620 . 0 0 "[ . 1 . 2]" 1
551 1 57 LYS HA 1 58 GLY H 2.800 . 2.800 2.301 2.179 2.488 . 0 0 "[ . 1 . 2]" 1
552 1 57 LYS HB3 1 58 GLY H 4.330 . 4.330 3.105 2.659 3.947 . 0 0 "[ . 1 . 2]" 1
553 1 57 LYS HB2 1 58 GLY H 4.330 . 4.330 4.019 2.248 4.318 . 0 0 "[ . 1 . 2]" 1
554 1 57 LYS QB 1 58 GLY H 4.360 . 4.360 2.935 2.227 3.614 . 0 0 "[ . 1 . 2]" 1
555 1 57 LYS QD 1 58 GLY H 5.920 . 5.920 4.603 3.919 5.194 . 0 0 "[ . 1 . 2]" 1
556 1 57 LYS QG 1 58 GLY H 4.930 . 4.930 3.071 2.080 3.817 . 0 0 "[ . 1 . 2]" 1
557 1 57 LYS H 1 57 LYS HB3 3.760 . 3.760 3.383 2.691 3.762 0.002 16 0 "[ . 1 . 2]" 1
558 1 57 LYS H 1 57 LYS HB2 3.760 . 3.760 2.674 2.218 3.774 0.014 13 0 "[ . 1 . 2]" 1
559 1 57 LYS H 1 57 LYS QD 5.530 . 5.530 4.239 3.227 4.888 . 0 0 "[ . 1 . 2]" 1
560 1 57 LYS H 1 57 LYS QG 4.940 . 4.940 3.700 1.973 4.192 . 0 0 "[ . 1 . 2]" 1
561 1 57 LYS H 1 58 GLY H 4.840 . 4.840 4.448 4.335 4.572 . 0 0 "[ . 1 . 2]" 1
562 1 58 GLY HA3 1 59 ILE H 3.520 . 3.520 2.491 2.331 2.616 . 0 0 "[ . 1 . 2]" 1
563 1 58 GLY HA2 1 59 ILE H 3.520 . 3.520 2.633 2.492 2.808 . 0 0 "[ . 1 . 2]" 1
564 1 58 GLY QA 1 59 ILE QG 6.790 . 6.790 3.325 3.121 3.629 . 0 0 "[ . 1 . 2]" 1
565 1 58 GLY QA 1 59 ILE H 3.960 . 3.960 2.270 2.223 2.282 . 0 0 "[ . 1 . 2]" 1
566 1 58 GLY H 1 59 ILE H 4.580 . 4.580 4.369 4.285 4.400 . 0 0 "[ . 1 . 2]" 1
567 1 59 ILE HB 1 60 PHE H 3.920 . 3.920 2.569 2.303 2.659 . 0 0 "[ . 1 . 2]" 1
568 1 59 ILE MG 1 60 PHE H 5.330 . 5.330 3.439 3.163 3.720 . 0 0 "[ . 1 . 2]" 1
569 1 59 ILE H 1 59 ILE MD 5.760 . 5.760 3.730 3.645 3.920 . 0 0 "[ . 1 . 2]" 1
570 1 59 ILE H 1 59 ILE HG13 3.960 . 3.960 2.705 2.576 3.061 . 0 0 "[ . 1 . 2]" 1
571 1 59 ILE H 1 59 ILE HG12 3.960 . 3.960 2.067 1.939 2.472 . 0 0 "[ . 1 . 2]" 1
572 1 59 ILE H 1 59 ILE QG 4.300 . 4.300 1.999 1.901 2.250 . 0 0 "[ . 1 . 2]" 1
573 1 5 VAL HB 1 6 PRO QD 5.370 . 5.370 3.462 1.899 4.344 . 0 0 "[ . 1 . 2]" 1
574 1 5 VAL QG 1 6 PRO QD 7.550 . 7.550 2.418 1.764 3.430 0.036 9 0 "[ . 1 . 2]" 1
575 1 60 PHE HA 1 61 PRO HD3 3.910 . 3.910 2.057 1.841 2.327 . 0 0 "[ . 1 . 2]" 1
576 1 60 PHE HA 1 61 PRO HD2 3.910 . 3.910 2.774 2.450 3.117 . 0 0 "[ . 1 . 2]" 1
577 1 60 PHE HA 1 61 PRO QD 4.270 . 4.270 1.980 1.822 2.151 . 0 0 "[ . 1 . 2]" 1
578 1 60 PHE HB3 1 65 ILE MD 5.990 . 5.990 3.956 3.629 4.372 . 0 0 "[ . 1 . 2]" 1
579 1 60 PHE HB2 1 65 ILE MD 5.990 . 5.990 2.856 2.476 3.342 . 0 0 "[ . 1 . 2]" 1
580 1 60 PHE QB 1 61 PRO QD 5.490 . 5.490 2.226 1.950 2.560 . 0 0 "[ . 1 . 2]" 1
581 1 60 PHE QB 1 65 ILE MD 6.250 . 6.250 2.792 2.437 3.242 . 0 0 "[ . 1 . 2]" 1
582 1 61 PRO HA 1 62 ALA MB 6.330 . 6.330 3.950 3.925 3.998 . 0 0 "[ . 1 . 2]" 1
583 1 61 PRO HA 1 62 ALA H 3.430 . 3.430 2.187 2.163 2.212 . 0 0 "[ . 1 . 2]" 1
584 1 61 PRO HA 1 63 SER H 4.380 . 4.380 3.719 3.611 4.152 . 0 0 "[ . 1 . 2]" 1
585 1 61 PRO HB3 1 63 SER H 4.150 . 4.150 3.701 3.339 4.156 0.006 5 0 "[ . 1 . 2]" 1
586 1 61 PRO HB2 1 63 SER H 4.150 . 4.150 2.522 2.289 3.574 . 0 0 "[ . 1 . 2]" 1
587 1 61 PRO QB 1 64 TYR H 5.480 . 5.480 3.767 2.594 4.189 . 0 0 "[ . 1 . 2]" 1
588 1 62 ALA HA 1 64 TYR H 4.880 . 4.880 3.459 3.352 3.811 . 0 0 "[ . 1 . 2]" 1
589 1 62 ALA HA 1 65 ILE HB 4.750 . 4.750 2.587 2.218 3.429 . 0 0 "[ . 1 . 2]" 1
590 1 62 ALA HA 1 65 ILE MD 6.050 . 6.050 3.749 3.531 4.267 . 0 0 "[ . 1 . 2]" 1
591 1 62 ALA HA 1 65 ILE HG13 4.700 . 4.700 2.509 2.239 2.834 . 0 0 "[ . 1 . 2]" 1
592 1 62 ALA HA 1 65 ILE HG12 4.700 . 4.700 2.219 1.965 3.173 . 0 0 "[ . 1 . 2]" 1
593 1 62 ALA HA 1 65 ILE QG 5.010 . 5.010 2.056 1.861 2.585 . 0 0 "[ . 1 . 2]" 1
594 1 62 ALA HA 1 65 ILE H 4.860 . 4.860 3.376 2.842 4.235 . 0 0 "[ . 1 . 2]" 1
595 1 62 ALA MB 1 63 SER H 4.360 . 4.360 3.122 2.526 3.192 . 0 0 "[ . 1 . 2]" 1
596 1 62 ALA H 1 63 SER H 4.080 . 4.080 2.623 2.547 2.677 . 0 0 "[ . 1 . 2]" 1
597 1 63 SER H 1 63 SER HB3 4.010 . 4.010 3.110 2.414 3.581 . 0 0 "[ . 1 . 2]" 1
598 1 63 SER H 1 63 SER HB2 4.010 . 4.010 2.933 2.232 3.587 . 0 0 "[ . 1 . 2]" 1
599 1 63 SER H 1 64 TYR QD 6.710 . 6.710 4.446 4.097 4.943 . 0 0 "[ . 1 . 2]" 1
600 1 63 SER H 1 64 TYR H 3.650 . 3.650 2.809 2.637 2.887 . 0 0 "[ . 1 . 2]" 1
601 1 63 SER H 1 65 ILE H 4.640 . 4.640 4.452 4.155 4.658 0.018 20 0 "[ . 1 . 2]" 1
602 1 64 TYR QB 1 65 ILE MD 6.240 . 6.240 3.865 3.158 4.219 . 0 0 "[ . 1 . 2]" 1
603 1 64 TYR H 1 64 TYR HB3 3.900 . 3.900 3.396 3.208 3.867 . 0 0 "[ . 1 . 2]" 1
604 1 64 TYR H 1 64 TYR HB2 3.900 . 3.900 3.553 2.429 3.871 . 0 0 "[ . 1 . 2]" 1
605 1 64 TYR H 1 65 ILE H 3.460 . 3.460 2.445 2.167 2.925 . 0 0 "[ . 1 . 2]" 1
606 1 65 ILE HA 1 65 ILE MD 4.340 . 4.340 2.030 1.918 2.183 . 0 0 "[ . 1 . 2]" 1
607 1 65 ILE HA 1 66 HIS H 3.070 . 3.070 2.220 2.140 2.384 . 0 0 "[ . 1 . 2]" 1
608 1 65 ILE HB 1 66 HIS H 4.100 . 4.100 3.895 3.431 4.104 0.004 8 0 "[ . 1 . 2]" 1
609 1 65 ILE MD 1 66 HIS H 5.030 . 5.030 3.652 3.435 3.819 . 0 0 "[ . 1 . 2]" 1
610 1 65 ILE MG 1 66 HIS H 4.570 . 4.570 2.243 1.885 2.630 . 0 0 "[ . 1 . 2]" 1
611 1 65 ILE MG 1 67 LEU HA 5.370 . 5.370 4.062 3.874 4.249 . 0 0 "[ . 1 . 2]" 1
612 1 65 ILE MG 1 67 LEU QB 7.240 . 7.240 4.865 4.592 5.125 . 0 0 "[ . 1 . 2]" 1
613 1 65 ILE MG 1 67 LEU HG 6.520 . 6.520 4.546 3.237 5.326 . 0 0 "[ . 1 . 2]" 1
614 1 65 ILE H 1 65 ILE HB 3.480 . 3.480 2.711 2.554 2.891 . 0 0 "[ . 1 . 2]" 1
615 1 65 ILE H 1 65 ILE MD 5.380 . 5.380 3.504 3.309 4.013 . 0 0 "[ . 1 . 2]" 1
616 1 65 ILE H 1 65 ILE HG13 4.560 . 4.560 4.032 3.836 4.241 . 0 0 "[ . 1 . 2]" 1
617 1 65 ILE H 1 65 ILE HG12 4.560 . 4.560 2.619 2.379 3.003 . 0 0 "[ . 1 . 2]" 1
618 1 65 ILE H 1 65 ILE QG 4.590 . 4.590 2.587 2.357 2.944 . 0 0 "[ . 1 . 2]" 1
619 1 66 HIS HA 1 67 LEU H 2.930 . 2.930 2.147 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
620 1 66 HIS HB3 1 67 LEU H 4.550 . 4.550 4.249 4.039 4.356 . 0 0 "[ . 1 . 2]" 1
621 1 66 HIS HB2 1 67 LEU H 4.550 . 4.550 4.413 4.250 4.511 . 0 0 "[ . 1 . 2]" 1
622 1 66 HIS H 1 66 HIS HB3 3.690 . 3.690 2.877 2.730 3.033 . 0 0 "[ . 1 . 2]" 1
623 1 66 HIS H 1 66 HIS HB2 3.690 . 3.690 3.148 2.911 3.323 . 0 0 "[ . 1 . 2]" 1
624 1 66 HIS H 1 67 LEU QD 7.540 . 7.540 4.126 3.580 5.011 . 0 0 "[ . 1 . 2]" 1
625 1 67 LEU HA 1 68 LYS H 2.870 . 2.870 2.184 2.138 2.248 . 0 0 "[ . 1 . 2]" 1
626 1 67 LEU QB 1 68 LYS H 4.150 . 4.150 3.065 2.772 3.362 . 0 0 "[ . 1 . 2]" 1
627 1 67 LEU MD1 1 68 LYS H 6.350 . 6.350 3.975 2.948 5.031 . 0 0 "[ . 1 . 2]" 1
628 1 67 LEU MD2 1 68 LYS H 6.350 . 6.350 4.136 2.963 4.987 . 0 0 "[ . 1 . 2]" 1
629 1 67 LEU QD 1 68 LYS H 5.990 . 5.990 3.342 2.915 4.066 . 0 0 "[ . 1 . 2]" 1
630 1 67 LEU H 1 67 LEU HB3 3.690 . 3.690 3.560 3.502 3.614 . 0 0 "[ . 1 . 2]" 1
631 1 67 LEU H 1 67 LEU HB2 3.690 . 3.690 2.366 2.204 2.680 . 0 0 "[ . 1 . 2]" 1
632 1 67 LEU H 1 67 LEU MD1 5.030 . 5.030 3.360 1.882 3.876 . 0 0 "[ . 1 . 2]" 1
633 1 67 LEU H 1 67 LEU MD2 5.030 . 5.030 2.724 1.878 3.937 . 0 0 "[ . 1 . 2]" 1
634 1 67 LEU H 1 67 LEU HG 4.020 . 4.020 3.359 2.020 3.966 . 0 0 "[ . 1 . 2]" 1
635 1 67 LEU H 1 68 LYS H 4.700 . 4.700 4.567 4.436 4.628 . 0 0 "[ . 1 . 2]" 1
636 1 68 LYS HA 1 68 LYS QD 4.840 . 4.840 3.069 1.992 4.029 . 0 0 "[ . 1 . 2]" 1
637 1 68 LYS HA 1 69 GLU H 2.900 . 2.900 2.582 2.397 2.745 . 0 0 "[ . 1 . 2]" 1
638 1 68 LYS HB3 1 69 GLU H 4.420 . 4.420 2.122 1.955 2.491 . 0 0 "[ . 1 . 2]" 1
639 1 68 LYS HB2 1 69 GLU H 4.420 . 4.420 3.471 2.780 3.883 . 0 0 "[ . 1 . 2]" 1
640 1 68 LYS QB 1 69 GLU H 4.450 . 4.450 2.103 1.928 2.463 . 0 0 "[ . 1 . 2]" 1
641 1 68 LYS QB 1 70 ALA H 5.930 . 5.930 3.747 2.302 5.351 . 0 0 "[ . 1 . 2]" 1
642 1 68 LYS QD 1 69 GLU H 5.440 . 5.440 3.227 2.476 4.156 . 0 0 "[ . 1 . 2]" 1
643 1 68 LYS QG 1 69 GLU H 5.570 . 5.570 3.734 2.826 4.198 . 0 0 "[ . 1 . 2]" 1
644 1 68 LYS H 1 68 LYS HB3 3.790 . 3.790 3.580 3.405 3.794 0.004 2 0 "[ . 1 . 2]" 1
645 1 68 LYS H 1 68 LYS HB2 3.790 . 3.790 2.404 2.198 2.704 . 0 0 "[ . 1 . 2]" 1
646 1 68 LYS H 1 68 LYS QD 6.000 . 6.000 4.454 3.802 4.924 . 0 0 "[ . 1 . 2]" 1
647 1 68 LYS H 1 68 LYS QG 4.570 . 4.570 3.046 2.457 3.748 . 0 0 "[ . 1 . 2]" 1
648 1 69 GLU HB3 1 70 ALA H 4.740 . 4.740 3.796 1.948 4.647 . 0 0 "[ . 1 . 2]" 1
649 1 69 GLU HB2 1 70 ALA H 4.740 . 4.740 4.082 2.186 4.662 . 0 0 "[ . 1 . 2]" 1
650 1 69 GLU QB 1 70 ALA MB 6.860 . 6.860 4.350 3.144 5.075 . 0 0 "[ . 1 . 2]" 1
651 1 69 GLU QB 1 70 ALA H 4.840 . 4.840 3.450 1.869 4.031 . 0 0 "[ . 1 . 2]" 1
652 1 69 GLU QG 1 70 ALA MB 7.370 . 7.370 4.729 3.759 5.441 . 0 0 "[ . 1 . 2]" 1
653 1 69 GLU QG 1 70 ALA H 5.450 . 5.450 4.052 3.522 4.584 . 0 0 "[ . 1 . 2]" 1
654 1 69 GLU H 1 69 GLU HB3 3.780 . 3.780 3.194 2.754 3.657 . 0 0 "[ . 1 . 2]" 1
655 1 69 GLU H 1 69 GLU HB2 3.780 . 3.780 2.487 2.098 3.645 . 0 0 "[ . 1 . 2]" 1
656 1 69 GLU H 1 69 GLU QG 4.940 . 4.940 3.419 1.971 4.073 . 0 0 "[ . 1 . 2]" 1
657 1 69 GLU H 1 70 ALA H 4.200 . 4.200 3.514 2.504 4.236 0.036 14 0 "[ . 1 . 2]" 1
658 1 70 ALA HA 1 71 ILE H 3.120 . 3.120 2.293 2.140 2.800 . 0 0 "[ . 1 . 2]" 1
659 1 70 ALA MB 1 71 ILE H 4.970 . 4.970 3.211 1.969 3.719 . 0 0 "[ . 1 . 2]" 1
660 1 70 ALA H 1 71 ILE H 4.420 . 4.420 3.982 2.770 4.429 0.009 19 0 "[ . 1 . 2]" 1
661 1 71 ILE HA 1 71 ILE HG13 4.150 . 4.150 3.193 2.467 3.767 . 0 0 "[ . 1 . 2]" 1
662 1 71 ILE HA 1 71 ILE HG12 4.150 . 4.150 3.651 2.821 4.199 0.049 19 0 "[ . 1 . 2]" 1
663 1 71 ILE HA 1 72 VAL H 2.840 . 2.840 2.251 2.141 2.544 . 0 0 "[ . 1 . 2]" 1
664 1 71 ILE HB 1 72 VAL H 4.230 . 4.230 3.486 2.091 4.229 . 0 0 "[ . 1 . 2]" 1
665 1 71 ILE MG 1 72 VAL H 5.080 . 5.080 3.112 1.890 4.137 . 0 0 "[ . 1 . 2]" 1
666 1 71 ILE H 1 71 ILE HB 3.840 . 3.840 3.403 2.632 3.779 . 0 0 "[ . 1 . 2]" 1
667 1 71 ILE H 1 71 ILE HG13 4.640 . 4.640 2.550 1.837 4.358 . 0 0 "[ . 1 . 2]" 1
668 1 71 ILE H 1 71 ILE HG12 4.640 . 4.640 3.182 2.000 4.397 . 0 0 "[ . 1 . 2]" 1
669 1 71 ILE H 1 71 ILE QG 4.860 . 4.860 2.319 1.830 3.184 . 0 0 "[ . 1 . 2]" 1
670 1 71 ILE H 1 72 VAL H 4.700 . 4.700 4.325 3.645 4.613 . 0 0 "[ . 1 . 2]" 1
671 1 72 VAL HA 1 73 GLU H 3.020 . 3.020 2.338 2.139 2.918 . 0 0 "[ . 1 . 2]" 1
672 1 72 VAL HB 1 73 GLU H 5.340 . 5.340 3.871 1.977 4.657 . 0 0 "[ . 1 . 2]" 1
673 1 72 VAL MG1 1 73 GLU H 5.930 . 5.930 3.793 2.812 4.392 . 0 0 "[ . 1 . 2]" 1
674 1 72 VAL MG2 1 73 GLU H 5.930 . 5.930 3.650 2.058 4.332 . 0 0 "[ . 1 . 2]" 1
675 1 72 VAL QG 1 73 GLU H 5.980 . 5.980 3.165 2.048 3.724 . 0 0 "[ . 1 . 2]" 1
676 1 72 VAL H 1 72 VAL HB 3.790 . 3.790 3.380 2.623 3.791 0.001 1 0 "[ . 1 . 2]" 1
677 1 72 VAL H 1 73 GLU H 4.460 . 4.460 3.945 2.380 4.465 0.005 19 0 "[ . 1 . 2]" 1
678 1 73 GLU HA 1 74 GLY H 3.150 . 3.150 2.292 2.153 2.813 . 0 0 "[ . 1 . 2]" 1
679 1 73 GLU HB3 1 74 GLY H 4.720 . 4.720 3.700 2.249 4.446 . 0 0 "[ . 1 . 2]" 1
680 1 73 GLU HB2 1 74 GLY H 4.720 . 4.720 4.311 2.877 4.669 . 0 0 "[ . 1 . 2]" 1
681 1 73 GLU H 1 73 GLU HB3 4.010 . 4.010 3.411 2.713 4.016 0.006 6 0 "[ . 1 . 2]" 1
682 1 73 GLU H 1 73 GLU HB2 4.010 . 4.010 2.680 2.083 3.736 . 0 0 "[ . 1 . 2]" 1
683 1 2 THR HA 1 2 THR HB 2.700 . 2.700 2.493 2.351 2.672 . 0 0 "[ . 1 . 2]" 1
684 1 3 ARG QB 1 3 ARG QD 3.300 . 5.300 2.124 1.918 2.405 . 0 0 "[ . 1 . 2]" 1
685 1 4 TRP QB 1 40 GLU QB 5.000 . 7.000 3.842 3.281 4.558 . 0 0 "[ . 1 . 2]" 1
686 1 5 VAL HA 1 6 PRO QD 5.000 . 6.000 2.003 1.787 2.204 0.013 1 0 "[ . 1 . 2]" 1
687 1 5 VAL HB 1 7 THR MG 5.000 . 6.500 4.949 3.259 5.333 . 0 0 "[ . 1 . 2]" 1
688 1 5 VAL QG 1 41 THR MG 5.000 . 8.900 3.123 1.795 5.200 0.005 10 0 "[ . 1 . 2]" 1
689 1 6 PRO QG 1 41 THR MG 5.000 . 7.500 4.823 1.860 5.546 . 0 0 "[ . 1 . 2]" 1
690 1 7 THR HB 1 41 THR MG 5.000 . 6.500 2.305 1.868 3.923 . 0 0 "[ . 1 . 2]" 1
691 1 7 THR HB 1 46 TYR QB 5.000 . 6.000 5.042 4.847 5.146 . 0 0 "[ . 1 . 2]" 1
692 1 7 THR HB 1 10 GLU QB 5.000 . 6.000 4.693 3.806 5.298 . 0 0 "[ . 1 . 2]" 1
693 1 7 THR MG 1 38 ILE MG 3.300 . 6.300 2.850 1.831 3.886 . 0 0 "[ . 1 . 2]" 1
694 1 7 THR MG 1 41 THR HB 5.000 . 6.500 3.593 1.875 4.740 . 0 0 "[ . 1 . 2]" 1
695 1 7 THR MG 1 41 THR MG 2.700 . 5.700 2.801 1.791 3.875 0.009 2 0 "[ . 1 . 2]" 1
696 1 10 GLU QG 1 38 ILE MD 5.000 . 7.500 4.070 2.426 5.540 . 0 0 "[ . 1 . 2]" 1
697 1 10 GLU QG 1 67 LEU QD 5.000 . 8.400 2.513 1.753 3.798 0.047 1 0 "[ . 1 . 2]" 1
698 1 11 GLU QB 1 70 ALA MB 5.000 . 7.500 4.452 2.257 5.428 . 0 0 "[ . 1 . 2]" 1
699 1 11 GLU QG 1 70 ALA MB 5.000 . 7.500 3.813 1.788 5.310 0.012 11 0 "[ . 1 . 2]" 1
700 1 4 TRP HA 1 4 TRP HE3 5.000 . 5.000 4.824 4.331 5.074 0.074 12 0 "[ . 1 . 2]" 1
701 1 4 TRP HE3 1 40 GLU QB 5.000 . 6.000 2.104 1.898 2.654 . 0 0 "[ . 1 . 2]" 1
702 1 4 TRP HH2 1 40 GLU QB 3.500 . 4.500 3.987 3.714 4.034 . 0 0 "[ . 1 . 2]" 1
703 1 4 TRP HH2 1 45 TRP HD1 5.000 . 5.000 4.913 4.426 5.019 0.019 16 0 "[ . 1 . 2]" 1
704 1 4 TRP HH2 1 45 TRP HE3 5.000 . 5.000 5.015 4.939 5.040 0.040 18 0 "[ . 1 . 2]" 1
705 1 4 TRP HH2 1 59 ILE MD 3.500 . 5.000 3.764 3.497 4.073 . 0 0 "[ . 1 . 2]" 1
706 1 4 TRP HH2 1 59 ILE MG 3.500 . 5.000 2.070 1.932 2.303 . 0 0 "[ . 1 . 2]" 1
707 1 4 TRP HZ2 1 40 GLU QB 5.000 . 6.000 5.337 5.239 5.378 . 0 0 "[ . 1 . 2]" 1
708 1 4 TRP HZ2 1 59 ILE HB 5.000 . 5.000 4.953 4.603 5.027 0.027 12 0 "[ . 1 . 2]" 1
709 1 4 TRP HZ2 1 59 ILE MD 5.000 . 6.500 4.150 3.115 4.545 . 0 0 "[ . 1 . 2]" 1
710 1 4 TRP HZ2 1 59 ILE MG 5.000 . 6.500 3.765 2.861 4.098 . 0 0 "[ . 1 . 2]" 1
711 1 4 TRP HZ3 1 59 ILE MG 3.500 . 5.900 3.065 2.869 3.928 . 0 0 "[ . 1 . 2]" 1
712 1 4 TRP HZ3 1 47 ARG QB 3.500 . 4.500 1.921 1.804 2.607 . 0 0 "[ . 1 . 2]" 1
713 1 4 TRP HZ3 1 47 ARG QG 3.500 . 4.500 3.845 3.259 4.019 . 0 0 "[ . 1 . 2]" 1
714 1 13 TYR HA 1 13 TYR QD 3.500 . 5.500 3.606 2.582 3.728 . 0 0 "[ . 1 . 2]" 1
715 1 13 TYR QB 1 13 TYR QD 2.900 . 5.900 2.150 2.136 2.169 . 0 0 "[ . 1 . 2]" 1
716 1 13 TYR QD 1 35 THR MG 3.500 . 7.000 2.743 1.856 3.558 . 0 0 "[ . 1 . 2]" 1
717 1 13 TYR QD 1 51 LEU QD 3.500 . 7.900 2.818 1.987 3.622 . 0 0 "[ . 1 . 2]" 1
718 1 13 TYR QD 1 68 LYS QB 5.000 . 8.000 3.277 2.572 4.346 . 0 0 "[ . 1 . 2]" 1
719 1 13 TYR QD 1 70 ALA HA 5.000 . 7.000 4.484 3.617 5.964 . 0 0 "[ . 1 . 2]" 1
720 1 13 TYR QD 1 71 ILE MD 5.000 . 8.500 5.457 3.707 6.308 . 0 0 "[ . 1 . 2]" 1
721 1 13 TYR QE 1 35 THR MG 3.500 . 7.000 3.490 2.092 4.997 . 0 0 "[ . 1 . 2]" 1
722 1 13 TYR QE 1 37 HIS QB 3.500 . 6.500 5.088 4.618 5.168 . 0 0 "[ . 1 . 2]" 1
723 1 13 TYR QE 1 51 LEU QD 2.900 . 7.300 3.057 2.074 4.007 . 0 0 "[ . 1 . 2]" 1
724 1 13 TYR QE 1 68 LYS QB 3.500 . 6.500 3.894 3.104 5.161 . 0 0 "[ . 1 . 2]" 1
725 1 13 TYR QE 1 70 ALA MB 3.500 . 7.000 3.843 2.173 5.034 . 0 0 "[ . 1 . 2]" 1
726 1 13 TYR QE 1 71 ILE MD 2.900 . 6.400 4.144 3.218 4.752 . 0 0 "[ . 1 . 2]" 1
727 1 15 VAL QG 1 17 PHE QD 2.900 . 7.300 3.211 2.740 3.696 . 0 0 "[ . 1 . 2]" 1
728 1 15 VAL QG 1 17 PHE QE 5.000 . 9.400 4.674 3.860 5.257 . 0 0 "[ . 1 . 2]" 1
729 1 16 ALA MB 1 60 PHE QD 3.500 . 7.000 4.196 3.767 4.382 . 0 0 "[ . 1 . 2]" 1
730 1 17 PHE QB 1 17 PHE QD 2.900 . 5.900 2.125 2.123 2.130 . 0 0 "[ . 1 . 2]" 1
731 1 17 PHE QB 1 64 TYR QE 5.000 . 8.000 6.302 6.051 6.367 . 0 0 "[ . 1 . 2]" 1
732 1 17 PHE QE 1 64 TYR HA 5.000 . 7.000 3.117 2.172 3.528 . 0 0 "[ . 1 . 2]" 1
733 1 17 PHE HZ 1 64 TYR HA 5.000 . 5.000 3.264 2.444 4.331 . 0 0 "[ . 1 . 2]" 1
734 1 18 TYR HA 1 18 TYR QD 3.500 . 5.500 2.862 2.736 2.968 . 0 0 "[ . 1 . 2]" 1
735 1 18 TYR HA 1 18 TYR QE 5.000 . 7.000 4.436 4.385 4.546 . 0 0 "[ . 1 . 2]" 1
736 1 18 TYR QB 1 18 TYR QD 2.900 . 5.900 2.136 2.132 2.138 . 0 0 "[ . 1 . 2]" 1
737 1 18 TYR QB 1 64 TYR QD 2.900 . 5.900 2.946 2.564 3.673 . 0 0 "[ . 1 . 2]" 1
738 1 18 TYR QB 1 64 TYR QE 3.500 . 6.500 3.431 2.673 4.989 . 0 0 "[ . 1 . 2]" 1
739 1 18 TYR QD 1 32 ILE MD 5.000 . 8.500 5.193 5.032 5.431 . 0 0 "[ . 1 . 2]" 1
740 1 18 TYR QD 1 32 ILE QG 5.000 . 8.000 4.778 4.638 5.025 . 0 0 "[ . 1 . 2]" 1
741 1 18 TYR QD 1 64 TYR HA 2.900 . 4.900 4.346 4.170 4.417 . 0 0 "[ . 1 . 2]" 1
742 1 18 TYR QD 1 64 TYR QE 2.900 . 6.900 3.640 3.250 3.964 . 0 0 "[ . 1 . 2]" 1
743 1 18 TYR QE 1 64 TYR HA 5.000 . 7.000 5.241 4.618 6.007 . 0 0 "[ . 1 . 2]" 1
744 1 18 TYR QE 1 64 TYR QE 2.900 . 6.900 3.943 2.651 4.695 . 0 0 "[ . 1 . 2]" 1
745 1 20 TYR QB 1 20 TYR QD 2.900 . 5.900 2.175 2.139 2.237 . 0 0 "[ . 1 . 2]" 1
746 1 20 TYR QD 1 22 ALA HA 5.000 . 7.000 4.128 3.307 5.160 . 0 0 "[ . 1 . 2]" 1
747 1 20 TYR QD 1 29 SER HA 5.000 . 7.000 3.279 2.010 4.451 . 0 0 "[ . 1 . 2]" 1
748 1 20 TYR QD 1 30 LEU QD 5.000 . 9.400 3.876 3.358 4.633 . 0 0 "[ . 1 . 2]" 1
749 1 20 TYR QD 1 30 LEU HG 5.000 . 7.000 5.094 4.169 5.916 . 0 0 "[ . 1 . 2]" 1
750 1 20 TYR QD 1 45 TRP HZ3 5.000 . 7.000 5.468 5.046 5.749 . 0 0 "[ . 1 . 2]" 1
751 1 20 TYR QD 1 61 PRO QD 5.000 . 8.000 3.444 2.917 4.135 . 0 0 "[ . 1 . 2]" 1
752 1 20 TYR QD 1 64 TYR QE 3.500 . 7.500 4.475 2.860 5.965 . 0 0 "[ . 1 . 2]" 1
753 1 20 TYR QE 1 22 ALA HA 2.900 . 4.900 3.105 2.001 4.367 . 0 0 "[ . 1 . 2]" 1
754 1 20 TYR QE 1 22 ALA MB 3.500 . 7.000 3.670 2.172 4.768 . 0 0 "[ . 1 . 2]" 1
755 1 20 TYR QE 1 27 GLU QB 3.500 . 6.500 3.140 2.581 4.111 . 0 0 "[ . 1 . 2]" 1
756 1 20 TYR QE 1 27 GLU QG 3.500 . 6.500 2.971 2.342 3.538 . 0 0 "[ . 1 . 2]" 1
757 1 20 TYR QE 1 30 LEU QD 5.000 . 9.400 5.043 4.584 5.592 . 0 0 "[ . 1 . 2]" 1
758 1 20 TYR QE 1 45 TRP HH2 3.500 . 5.500 3.894 3.148 4.540 . 0 0 "[ . 1 . 2]" 1
759 1 20 TYR QE 1 45 TRP HZ3 2.900 . 4.900 4.370 4.367 4.375 . 0 0 "[ . 1 . 2]" 1
760 1 20 TYR QE 1 60 PHE HA 5.000 . 7.000 4.049 3.652 4.450 . 0 0 "[ . 1 . 2]" 1
761 1 20 TYR QE 1 60 PHE QB 3.500 . 6.500 4.662 4.049 5.154 . 0 0 "[ . 1 . 2]" 1
762 1 20 TYR QE 1 61 PRO QD 5.000 . 8.000 3.481 2.662 4.101 . 0 0 "[ . 1 . 2]" 1
763 1 20 TYR QE 1 61 PRO QG 5.000 . 8.000 4.256 2.731 5.353 . 0 0 "[ . 1 . 2]" 1
764 1 20 TYR QE 1 64 TYR QE 5.000 . 9.000 5.602 4.130 6.646 . 0 0 "[ . 1 . 2]" 1
765 1 27 GLU QG 1 45 TRP HZ3 5.000 . 6.000 4.998 4.525 5.330 . 0 0 "[ . 1 . 2]" 1
766 1 28 LEU QB 1 60 PHE QD 2.900 . 5.900 4.197 3.234 4.688 . 0 0 "[ . 1 . 2]" 1
767 1 28 LEU QD 1 60 PHE QD 2.900 . 7.300 3.599 2.482 4.065 . 0 0 "[ . 1 . 2]" 1
768 1 28 LEU QD 1 60 PHE QE 3.500 . 7.900 4.343 3.621 4.813 . 0 0 "[ . 1 . 2]" 1
769 1 30 LEU QD 1 60 PHE QD 3.500 . 7.900 2.225 1.923 2.730 . 0 0 "[ . 1 . 2]" 1
770 1 30 LEU QD 1 60 PHE QE 5.000 . 9.400 3.426 3.073 3.770 . 0 0 "[ . 1 . 2]" 1
771 1 30 LEU QD 1 64 TYR QD 5.000 . 9.400 4.168 3.627 6.210 . 0 0 "[ . 1 . 2]" 1
772 1 36 VAL HB 1 60 PHE QD 3.500 . 5.500 4.124 3.839 4.495 . 0 0 "[ . 1 . 2]" 1
773 1 36 VAL HB 1 60 PHE QE 3.500 . 5.500 2.286 1.974 2.644 . 0 0 "[ . 1 . 2]" 1
774 1 36 VAL HB 1 60 PHE HZ 3.500 . 3.500 3.387 3.056 3.511 0.011 7 0 "[ . 1 . 2]" 1
775 1 36 VAL QG 1 60 PHE QD 2.900 . 7.300 3.199 2.901 3.402 . 0 0 "[ . 1 . 2]" 1
776 1 36 VAL QG 1 60 PHE QE 2.900 . 7.300 2.596 2.225 2.922 . 0 0 "[ . 1 . 2]" 1
777 1 36 VAL QG 1 60 PHE HZ 3.500 . 5.900 2.628 2.087 3.275 . 0 0 "[ . 1 . 2]" 1
778 1 37 HIS QB 1 49 TYR QE 5.000 . 8.000 3.034 2.584 3.531 . 0 0 "[ . 1 . 2]" 1
779 1 38 ILE HB 1 60 PHE HZ 5.000 . 5.000 4.689 4.491 5.026 0.026 2 0 "[ . 1 . 2]" 1
780 1 38 ILE MD 1 46 TYR QD 5.000 . 8.500 3.375 2.224 4.216 . 0 0 "[ . 1 . 2]" 1
781 1 38 ILE MD 1 46 TYR QE 3.500 . 7.000 4.338 3.283 5.193 . 0 0 "[ . 1 . 2]" 1
782 1 38 ILE MD 1 60 PHE QE 5.000 . 8.500 3.437 2.546 4.074 . 0 0 "[ . 1 . 2]" 1
783 1 38 ILE MD 1 60 PHE HZ 3.500 . 5.000 3.103 1.795 3.707 0.005 2 0 "[ . 1 . 2]" 1
784 1 38 ILE QG 1 46 TYR QD 2.900 . 5.900 3.095 2.668 4.165 . 0 0 "[ . 1 . 2]" 1
785 1 38 ILE QG 1 46 TYR QE 3.500 . 6.500 4.820 4.330 5.164 . 0 0 "[ . 1 . 2]" 1
786 1 38 ILE QG 1 60 PHE HZ 3.500 . 4.500 2.113 1.818 3.840 . 0 0 "[ . 1 . 2]" 1
787 1 38 ILE MG 1 46 TYR QD 3.500 . 7.000 3.065 2.820 3.376 . 0 0 "[ . 1 . 2]" 1
788 1 38 ILE MG 1 46 TYR QE 3.500 . 7.000 4.471 4.266 4.736 . 0 0 "[ . 1 . 2]" 1
789 1 38 ILE MG 1 60 PHE HZ 2.900 . 4.400 3.439 2.696 3.666 . 0 0 "[ . 1 . 2]" 1
790 1 39 LEU QB 1 49 TYR QD 3.500 . 6.500 3.745 2.743 4.701 . 0 0 "[ . 1 . 2]" 1
791 1 39 LEU QB 1 49 TYR QE 3.500 . 6.500 3.203 2.698 4.048 . 0 0 "[ . 1 . 2]" 1
792 1 39 LEU QD 1 49 TYR QD 2.900 . 7.300 2.736 2.187 4.697 . 0 0 "[ . 1 . 2]" 1
793 1 39 LEU QD 1 49 TYR QE 2.900 . 7.300 2.771 2.142 3.895 . 0 0 "[ . 1 . 2]" 1
794 1 39 LEU HG 1 49 TYR QD 3.500 . 5.500 4.646 3.894 4.910 . 0 0 "[ . 1 . 2]" 1
795 1 41 THR HB 1 46 TYR QD 3.500 . 5.500 3.455 2.517 4.648 . 0 0 "[ . 1 . 2]" 1
796 1 41 THR HB 1 46 TYR QE 5.000 . 7.000 4.123 2.770 5.229 . 0 0 "[ . 1 . 2]" 1
797 1 41 THR MG 1 46 TYR QD 3.500 . 7.000 3.677 2.295 4.378 . 0 0 "[ . 1 . 2]" 1
798 1 41 THR MG 1 46 TYR QE 2.900 . 6.400 3.916 2.255 4.531 . 0 0 "[ . 1 . 2]" 1
799 1 45 TRP QB 1 45 TRP HE3 3.500 . 4.500 3.484 3.402 3.537 . 0 0 "[ . 1 . 2]" 1
800 1 45 TRP HE3 1 59 ILE HB 3.500 . 3.500 3.484 3.254 3.527 0.027 2 0 "[ . 1 . 2]" 1
801 1 45 TRP HE3 1 59 ILE MD 5.000 . 6.500 4.361 3.501 4.717 . 0 0 "[ . 1 . 2]" 1
802 1 45 TRP HE3 1 59 ILE QG 5.000 . 6.000 4.781 4.292 4.956 . 0 0 "[ . 1 . 2]" 1
803 1 45 TRP HE3 1 59 ILE MG 5.000 . 6.500 4.592 4.260 4.812 . 0 0 "[ . 1 . 2]" 1
804 1 45 TRP HE3 1 60 PHE HA 5.000 . 5.000 3.845 3.663 4.010 . 0 0 "[ . 1 . 2]" 1
805 1 45 TRP HZ3 1 59 ILE MD 3.500 . 5.000 4.081 3.485 4.179 . 0 0 "[ . 1 . 2]" 1
806 1 45 TRP HZ3 1 59 ILE MG 5.000 . 6.500 4.818 4.337 5.218 . 0 0 "[ . 1 . 2]" 1
807 1 45 TRP HZ3 1 60 PHE HA 3.500 . 3.500 2.013 1.946 2.104 . 0 0 "[ . 1 . 2]" 1
808 1 45 TRP HZ3 1 61 PRO QD 2.900 . 3.900 2.429 2.000 2.893 . 0 0 "[ . 1 . 2]" 1
809 1 46 TYR HA 1 46 TYR QD 2.900 . 4.900 2.315 2.204 2.459 . 0 0 "[ . 1 . 2]" 1
810 1 46 TYR QB 1 46 TYR QD 2.900 . 5.900 2.223 2.199 2.244 . 0 0 "[ . 1 . 2]" 1
811 1 46 TYR QB 1 60 PHE QD 5.000 . 8.000 3.674 3.271 4.089 . 0 0 "[ . 1 . 2]" 1
812 1 46 TYR QB 1 60 PHE QE 5.000 . 8.000 2.729 2.261 3.062 . 0 0 "[ . 1 . 2]" 1
813 1 46 TYR QB 1 60 PHE HZ 5.000 . 6.000 3.468 3.063 3.757 . 0 0 "[ . 1 . 2]" 1
814 1 46 TYR QD 1 60 PHE QD 2.900 . 6.900 3.813 3.584 4.064 . 0 0 "[ . 1 . 2]" 1
815 1 46 TYR QD 1 62 ALA HA 2.900 . 4.900 3.758 3.063 4.052 . 0 0 "[ . 1 . 2]" 1
816 1 46 TYR QD 1 62 ALA MB 3.500 . 7.000 3.444 3.249 3.643 . 0 0 "[ . 1 . 2]" 1
817 1 46 TYR QD 1 65 ILE HB 5.000 . 7.000 4.021 3.664 4.525 . 0 0 "[ . 1 . 2]" 1
818 1 46 TYR QD 1 65 ILE MD 5.000 . 8.500 4.376 4.026 4.611 . 0 0 "[ . 1 . 2]" 1
819 1 46 TYR QD 1 65 ILE QG 3.500 . 6.500 3.090 2.779 3.424 . 0 0 "[ . 1 . 2]" 1
820 1 46 TYR QD 1 65 ILE MG 5.000 . 8.500 3.177 2.645 3.820 . 0 0 "[ . 1 . 2]" 1
821 1 46 TYR QE 1 60 PHE QD 2.900 . 6.900 5.103 4.786 5.324 . 0 0 "[ . 1 . 2]" 1
822 1 46 TYR QE 1 60 PHE QE 2.900 . 6.900 4.061 3.725 4.283 . 0 0 "[ . 1 . 2]" 1
823 1 46 TYR QE 1 62 ALA HA 2.900 . 4.900 3.058 2.611 3.324 . 0 0 "[ . 1 . 2]" 1
824 1 46 TYR QE 1 62 ALA MB 2.900 . 6.400 1.948 1.883 2.187 . 0 0 "[ . 1 . 2]" 1
825 1 46 TYR QE 1 65 ILE HB 2.900 . 4.900 3.390 3.068 4.015 . 0 0 "[ . 1 . 2]" 1
826 1 46 TYR QE 1 65 ILE MD 3.500 . 7.000 5.173 4.888 5.207 . 0 0 "[ . 1 . 2]" 1
827 1 46 TYR QE 1 65 ILE QG 3.500 . 6.500 3.718 3.395 3.841 . 0 0 "[ . 1 . 2]" 1
828 1 46 TYR QE 1 65 ILE MG 3.500 . 7.000 3.688 3.297 4.399 . 0 0 "[ . 1 . 2]" 1
829 1 49 TYR HA 1 49 TYR QE 5.000 . 7.000 5.639 5.605 5.656 . 0 0 "[ . 1 . 2]" 1
830 1 49 TYR QB 1 49 TYR QD 2.900 . 5.900 2.137 2.135 2.142 . 0 0 "[ . 1 . 2]" 1
831 1 49 TYR QD 1 54 LYS HA 2.900 . 4.900 2.288 1.997 2.800 . 0 0 "[ . 1 . 2]" 1
832 1 49 TYR QD 1 54 LYS QB 3.500 . 6.500 3.445 2.553 4.258 . 0 0 "[ . 1 . 2]" 1
833 1 49 TYR QD 1 54 LYS QG 3.500 . 6.500 2.491 1.952 3.535 . 0 0 "[ . 1 . 2]" 1
834 1 49 TYR QD 1 57 LYS QD 3.500 . 6.500 3.681 1.881 4.952 . 0 0 "[ . 1 . 2]" 1
835 1 49 TYR QD 1 57 LYS QG 3.500 . 6.500 2.920 2.331 4.726 . 0 0 "[ . 1 . 2]" 1
836 1 49 TYR QE 1 51 LEU HA 3.500 . 5.500 4.512 3.973 4.900 . 0 0 "[ . 1 . 2]" 1
837 1 49 TYR QE 1 54 LYS HA 3.500 . 5.500 4.095 3.657 4.470 . 0 0 "[ . 1 . 2]" 1
838 1 49 TYR QE 1 54 LYS QB 3.500 . 6.500 3.795 2.848 4.741 . 0 0 "[ . 1 . 2]" 1
839 1 49 TYR QE 1 54 LYS QD 3.500 . 6.500 3.344 2.075 4.583 . 0 0 "[ . 1 . 2]" 1
840 1 49 TYR QE 1 54 LYS QE 5.000 . 8.000 3.256 2.100 4.608 . 0 0 "[ . 1 . 2]" 1
841 1 49 TYR QE 1 54 LYS QG 3.500 . 6.500 2.936 2.170 4.108 . 0 0 "[ . 1 . 2]" 1
842 1 49 TYR QE 1 57 LYS QG 5.000 . 8.000 4.758 3.890 6.351 . 0 0 "[ . 1 . 2]" 1
843 1 59 ILE HA 1 60 PHE QD 3.500 . 5.500 3.983 3.873 4.045 . 0 0 "[ . 1 . 2]" 1
844 1 60 PHE HA 1 60 PHE QD 3.500 . 5.500 3.694 3.690 3.700 . 0 0 "[ . 1 . 2]" 1
845 1 60 PHE QB 1 60 PHE QD 2.900 . 5.900 2.132 2.129 2.134 . 0 0 "[ . 1 . 2]" 1
846 1 60 PHE QD 1 61 PRO QD 2.900 . 5.900 3.681 3.599 3.865 . 0 0 "[ . 1 . 2]" 1
847 1 60 PHE QD 1 65 ILE MD 2.900 . 6.400 2.450 2.212 2.628 . 0 0 "[ . 1 . 2]" 1
848 1 60 PHE QD 1 65 ILE QG 3.500 . 6.500 2.230 2.077 2.466 . 0 0 "[ . 1 . 2]" 1
849 1 60 PHE QD 1 65 ILE MG 5.000 . 8.500 3.956 3.757 4.104 . 0 0 "[ . 1 . 2]" 1
850 1 60 PHE QE 1 62 ALA HA 2.900 . 4.900 3.916 3.592 4.107 . 0 0 "[ . 1 . 2]" 1
851 1 60 PHE QE 1 62 ALA MB 2.900 . 6.400 4.544 4.159 4.757 . 0 0 "[ . 1 . 2]" 1
852 1 60 PHE QE 1 65 ILE HB 2.900 . 4.900 3.844 3.646 4.152 . 0 0 "[ . 1 . 2]" 1
853 1 60 PHE QE 1 65 ILE MD 3.500 . 7.000 2.733 2.540 2.998 . 0 0 "[ . 1 . 2]" 1
854 1 60 PHE QE 1 65 ILE QG 3.500 . 6.500 1.951 1.870 2.120 . 0 0 "[ . 1 . 2]" 1
855 1 60 PHE QE 1 65 ILE MG 5.000 . 8.500 2.475 2.038 2.834 . 0 0 "[ . 1 . 2]" 1
856 1 60 PHE HZ 1 65 ILE MD 3.500 . 5.000 3.533 3.086 3.982 . 0 0 "[ . 1 . 2]" 1
857 1 60 PHE HZ 1 65 ILE QG 3.500 . 4.500 4.032 4.010 4.048 . 0 0 "[ . 1 . 2]" 1
858 1 60 PHE HZ 1 65 ILE MG 2.900 . 4.400 3.293 2.988 3.443 . 0 0 "[ . 1 . 2]" 1
859 1 61 PRO QB 1 64 TYR QD 3.500 . 6.500 3.571 2.092 4.440 . 0 0 "[ . 1 . 2]" 1
860 1 61 PRO QB 1 64 TYR QE 5.000 . 8.000 3.596 2.728 4.193 . 0 0 "[ . 1 . 2]" 1
861 1 61 PRO QG 1 64 TYR QD 5.000 . 8.000 3.092 1.837 4.090 . 0 0 "[ . 1 . 2]" 1
862 1 61 PRO QG 1 64 TYR QE 5.000 . 8.000 2.460 1.928 3.502 . 0 0 "[ . 1 . 2]" 1
863 1 64 TYR HA 1 64 TYR QD 2.900 . 4.900 3.354 2.110 3.745 . 0 0 "[ . 1 . 2]" 1
864 1 64 TYR QB 1 64 TYR QD 2.900 . 5.900 2.143 2.135 2.169 . 0 0 "[ . 1 . 2]" 1
865 1 66 HIS QB 1 66 HIS HD2 2.900 . 3.900 2.895 2.632 3.181 . 0 0 "[ . 1 . 2]" 1
866 1 66 HIS HD2 1 68 LYS HA 5.000 . 5.000 3.622 3.066 4.999 . 0 0 "[ . 1 . 2]" 1
867 1 66 HIS HD2 1 68 LYS QB 5.000 . 6.000 4.933 4.370 5.350 . 0 0 "[ . 1 . 2]" 1
868 1 66 HIS HD2 1 68 LYS QG 5.000 . 6.000 3.406 2.401 4.261 . 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 32
_Distance_constraint_stats_list.Viol_count 127
_Distance_constraint_stats_list.Viol_total 18.770
_Distance_constraint_stats_list.Viol_max 0.031
_Distance_constraint_stats_list.Viol_rms 0.0039
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0074
_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 13 TYR 0.065 0.015 5 0 "[ . 1 . 2]"
1 14 GLY 0.031 0.015 4 0 "[ . 1 . 2]"
1 15 VAL 0.054 0.012 7 0 "[ . 1 . 2]"
1 16 ALA 0.002 0.002 4 0 "[ . 1 . 2]"
1 20 TYR 0.210 0.012 18 0 "[ . 1 . 2]"
1 30 LEU 0.210 0.012 18 0 "[ . 1 . 2]"
1 34 ASP 0.002 0.002 4 0 "[ . 1 . 2]"
1 36 VAL 0.031 0.015 4 0 "[ . 1 . 2]"
1 37 HIS 0.263 0.022 20 0 "[ . 1 . 2]"
1 40 GLU 0.143 0.026 10 0 "[ . 1 . 2]"
1 46 TYR 0.160 0.031 10 0 "[ . 1 . 2]"
1 47 ARG 0.143 0.026 10 0 "[ . 1 . 2]"
1 48 GLY 0.012 0.008 3 0 "[ . 1 . 2]"
1 49 TYR 0.263 0.022 20 0 "[ . 1 . 2]"
1 58 GLY 0.012 0.008 3 0 "[ . 1 . 2]"
1 60 PHE 0.160 0.031 10 0 "[ . 1 . 2]"
1 66 HIS 0.054 0.012 7 0 "[ . 1 . 2]"
1 68 LYS 0.065 0.015 5 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 14 GLY O 1 36 VAL H 2.200 . 2.200 1.935 1.785 2.194 0.015 4 0 "[ . 1 . 2]" 2
2 1 14 GLY O 1 36 VAL N 3.300 2.200 3.300 2.856 2.655 3.082 . 0 0 "[ . 1 . 2]" 2
3 1 14 GLY H 1 36 VAL O 2.200 . 2.200 2.005 1.804 2.203 0.003 4 0 "[ . 1 . 2]" 2
4 1 14 GLY N 1 36 VAL O 3.300 2.200 3.300 2.942 2.724 3.142 . 0 0 "[ . 1 . 2]" 2
5 1 16 ALA H 1 34 ASP O 2.200 . 2.200 2.119 1.961 2.202 0.002 4 0 "[ . 1 . 2]" 2
6 1 16 ALA N 1 34 ASP O 3.300 2.200 3.300 3.084 2.904 3.173 . 0 0 "[ . 1 . 2]" 2
7 1 15 VAL O 1 66 HIS H 2.200 . 2.200 2.073 1.796 2.208 0.008 3 0 "[ . 1 . 2]" 2
8 1 15 VAL O 1 66 HIS N 3.300 2.200 3.300 2.955 2.557 3.178 . 0 0 "[ . 1 . 2]" 2
9 1 15 VAL H 1 66 HIS O 2.200 . 2.200 1.839 1.788 2.110 0.012 7 0 "[ . 1 . 2]" 2
10 1 15 VAL N 1 66 HIS O 3.300 2.200 3.300 2.746 2.572 3.042 . 0 0 "[ . 1 . 2]" 2
11 1 13 TYR O 1 68 LYS H 2.200 . 2.200 2.180 1.904 2.215 0.015 5 0 "[ . 1 . 2]" 2
12 1 13 TYR O 1 68 LYS N 3.300 2.200 3.300 3.106 2.861 3.178 . 0 0 "[ . 1 . 2]" 2
13 1 20 TYR O 1 30 LEU H 2.200 . 2.200 2.147 1.967 2.207 0.007 18 0 "[ . 1 . 2]" 2
14 1 20 TYR O 1 30 LEU N 3.300 2.200 3.300 2.922 2.805 3.121 . 0 0 "[ . 1 . 2]" 2
15 1 20 TYR H 1 30 LEU O 2.200 . 2.200 2.208 2.199 2.212 0.012 18 0 "[ . 1 . 2]" 2
16 1 20 TYR N 1 30 LEU O 3.300 2.200 3.300 2.877 2.762 3.034 . 0 0 "[ . 1 . 2]" 2
17 1 40 GLU H 1 47 ARG O 2.200 . 2.200 2.062 1.795 2.226 0.026 10 0 "[ . 1 . 2]" 2
18 1 40 GLU N 1 47 ARG O 3.300 2.200 3.300 2.976 2.602 3.189 . 0 0 "[ . 1 . 2]" 2
19 1 40 GLU O 1 47 ARG H 2.200 . 2.200 2.048 1.779 2.213 0.021 11 0 "[ . 1 . 2]" 2
20 1 40 GLU O 1 47 ARG N 3.300 2.200 3.300 2.934 2.622 3.158 . 0 0 "[ . 1 . 2]" 2
21 1 37 HIS H 1 49 TYR O 2.200 . 2.200 1.927 1.795 2.201 0.005 10 0 "[ . 1 . 2]" 2
22 1 37 HIS N 1 49 TYR O 3.300 2.200 3.300 2.877 2.683 3.125 . 0 0 "[ . 1 . 2]" 2
23 1 37 HIS O 1 49 TYR H 2.200 . 2.200 2.212 2.203 2.222 0.022 20 0 "[ . 1 . 2]" 2
24 1 37 HIS O 1 49 TYR N 3.300 2.200 3.300 3.073 2.958 3.124 . 0 0 "[ . 1 . 2]" 2
25 1 46 TYR O 1 60 PHE H 2.200 . 2.200 1.937 1.794 2.202 0.006 12 0 "[ . 1 . 2]" 2
26 1 46 TYR O 1 60 PHE N 3.300 2.200 3.300 2.849 2.738 3.080 . 0 0 "[ . 1 . 2]" 2
27 1 46 TYR H 1 60 PHE O 2.200 . 2.200 2.168 1.907 2.231 0.031 10 0 "[ . 1 . 2]" 2
28 1 46 TYR N 1 60 PHE O 3.300 2.200 3.300 3.138 2.877 3.211 . 0 0 "[ . 1 . 2]" 2
29 1 48 GLY O 1 58 GLY H 2.200 . 2.200 2.072 1.949 2.202 0.002 20 0 "[ . 1 . 2]" 2
30 1 48 GLY O 1 58 GLY N 3.300 2.200 3.300 3.019 2.895 3.155 . 0 0 "[ . 1 . 2]" 2
31 1 48 GLY H 1 58 GLY O 2.200 . 2.200 1.919 1.792 2.200 0.008 3 0 "[ . 1 . 2]" 2
32 1 48 GLY N 1 58 GLY O 3.300 2.200 3.300 2.814 2.721 2.958 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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