NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
436422 |
2k16   |
15670 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k16
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 1167
_Distance_constraint_stats_list.Viol_count 1708
_Distance_constraint_stats_list.Viol_total 2186.678
_Distance_constraint_stats_list.Viol_max 0.370
_Distance_constraint_stats_list.Viol_rms 0.0265
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0640
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 MET 0.633 0.137 13 0 "[ . 1 . 2]"
1 5 ALA 0.890 0.197 19 0 "[ . 1 . 2]"
1 6 MET 0.749 0.197 19 0 "[ . 1 . 2]"
1 7 ALA 2.715 0.229 16 0 "[ . 1 . 2]"
1 8 TYR 1.910 0.163 3 0 "[ . 1 . 2]"
1 9 VAL 2.145 0.229 16 0 "[ . 1 . 2]"
1 10 ILE 1.159 0.083 4 0 "[ . 1 . 2]"
1 11 ARG 1.497 0.102 17 0 "[ . 1 . 2]"
1 12 ASP 3.972 0.217 9 0 "[ . 1 . 2]"
1 13 GLU 2.820 0.217 9 0 "[ . 1 . 2]"
1 14 TRP 1.732 0.109 10 0 "[ . 1 . 2]"
1 15 GLY 0.921 0.102 17 0 "[ . 1 . 2]"
1 16 ASN 0.034 0.031 7 0 "[ . 1 . 2]"
1 17 GLN 2.073 0.150 20 0 "[ . 1 . 2]"
1 18 ILE 6.217 0.145 20 0 "[ . 1 . 2]"
1 19 TRP 2.997 0.145 20 0 "[ . 1 . 2]"
1 20 ILE 1.656 0.086 4 0 "[ . 1 . 2]"
1 21 CYS 16.220 0.338 12 0 "[ . 1 . 2]"
1 22 PRO 2.280 0.160 14 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 CYS 14.684 0.338 12 0 "[ . 1 . 2]"
1 25 ASN 0.022 0.022 13 0 "[ . 1 . 2]"
1 26 LYS 1.746 0.051 12 0 "[ . 1 . 2]"
1 27 PRO 3.541 0.092 7 0 "[ . 1 . 2]"
1 28 ASP 0.468 0.129 10 0 "[ . 1 . 2]"
1 29 ASP 0.332 0.064 8 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.949 0.071 1 0 "[ . 1 . 2]"
1 32 PRO 0.926 0.057 5 0 "[ . 1 . 2]"
1 33 MET 0.649 0.129 10 0 "[ . 1 . 2]"
1 34 ILE 3.425 0.142 11 0 "[ . 1 . 2]"
1 35 GLY 0.147 0.053 11 0 "[ . 1 . 2]"
1 36 CYS 13.928 0.340 19 0 "[ . 1 . 2]"
1 37 ASP 0.139 0.037 19 0 "[ . 1 . 2]"
1 38 ASP 0.313 0.123 19 0 "[ . 1 . 2]"
1 39 CYS 13.350 0.349 19 0 "[ . 1 . 2]"
1 40 ASP 0.778 0.159 7 0 "[ . 1 . 2]"
1 41 ASP 0.188 0.062 7 0 "[ . 1 . 2]"
1 42 TRP 0.660 0.119 11 0 "[ . 1 . 2]"
1 43 TYR 0.130 0.035 10 0 "[ . 1 . 2]"
1 44 HIS 11.895 0.285 13 0 "[ . 1 . 2]"
1 45 TRP 2.253 0.127 20 0 "[ . 1 . 2]"
1 46 PRO 0.396 0.045 7 0 "[ . 1 . 2]"
1 47 CYS 16.107 0.325 8 0 "[ . 1 . 2]"
1 48 VAL 1.813 0.103 2 0 "[ . 1 . 2]"
1 49 GLY 0.651 0.049 18 0 "[ . 1 . 2]"
1 50 ILE 2.983 0.370 16 0 "[ . 1 . 2]"
1 51 MET 1.644 0.370 16 0 "[ . 1 . 2]"
1 52 ALA 1.690 0.085 16 0 "[ . 1 . 2]"
1 53 ALA 1.545 0.173 10 0 "[ . 1 . 2]"
1 54 PRO 3.397 0.173 10 0 "[ . 1 . 2]"
1 55 PRO 1.532 0.128 10 0 "[ . 1 . 2]"
1 56 GLU 1.441 0.125 1 0 "[ . 1 . 2]"
1 57 GLU 1.659 0.190 6 0 "[ . 1 . 2]"
1 58 MET 1.415 0.114 13 0 "[ . 1 . 2]"
1 59 GLN 1.804 0.109 14 0 "[ . 1 . 2]"
1 60 TRP 3.329 0.109 14 0 "[ . 1 . 2]"
1 61 PHE 1.417 0.120 19 0 "[ . 1 . 2]"
1 62 CYS 13.950 0.352 15 0 "[ . 1 . 2]"
1 63 PRO 1.452 0.103 19 0 "[ . 1 . 2]"
1 64 LYS 1.227 0.121 14 0 "[ . 1 . 2]"
1 65 CYS 15.105 0.352 15 0 "[ . 1 . 2]"
1 66 ALA 1.487 0.153 9 0 "[ . 1 . 2]"
1 67 ASN 1.110 0.153 9 0 "[ . 1 . 2]"
1 68 LYS 0.974 0.081 16 0 "[ . 1 . 2]"
1 69 ILE 0.802 0.084 18 0 "[ . 1 . 2]"
1 70 LYS 3.079 0.206 7 0 "[ . 1 . 2]"
1 71 LYS 2.007 0.226 7 0 "[ . 1 . 2]"
1 72 ASP 0.270 0.108 9 0 "[ . 1 . 2]"
1 73 LYS 0.299 0.090 16 0 "[ . 1 . 2]"
1 74 LYS 0.785 0.226 17 0 "[ . 1 . 2]"
1 75 HIS 0.785 0.226 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 SER HA 4.540 . 4.540 3.973 3.861 4.161 . 0 0 "[ . 1 . 2]" 1
2 1 4 MET H 1 4 MET QG 4.540 . 4.540 3.251 2.141 4.436 . 0 0 "[ . 1 . 2]" 1
3 1 4 MET HA 1 4 MET QG 3.870 . 3.870 2.751 2.316 3.549 . 0 0 "[ . 1 . 2]" 1
4 1 4 MET HA 1 5 ALA H 3.320 . 3.320 2.716 2.067 3.457 0.137 13 0 "[ . 1 . 2]" 1
5 1 4 MET QB 1 5 ALA H 4.520 . 4.520 3.040 1.881 4.004 . 0 0 "[ . 1 . 2]" 1
6 1 5 ALA H 1 5 ALA MB 3.090 . 3.090 2.626 2.223 3.060 . 0 0 "[ . 1 . 2]" 1
7 1 5 ALA HA 1 6 MET H 3.040 . 3.040 2.629 2.071 3.237 0.197 19 0 "[ . 1 . 2]" 1
8 1 5 ALA MB 1 6 MET H 3.910 . 3.910 3.103 1.914 3.682 . 0 0 "[ . 1 . 2]" 1
9 1 6 MET H 1 6 MET HB2 3.830 . 3.830 2.801 2.393 3.867 0.037 7 0 "[ . 1 . 2]" 1
10 1 6 MET H 1 6 MET QB 3.300 . 3.300 2.612 2.238 3.156 . 0 0 "[ . 1 . 2]" 1
11 1 6 MET H 1 6 MET HB3 3.830 . 3.830 3.556 2.663 3.836 0.006 18 0 "[ . 1 . 2]" 1
12 1 6 MET H 1 6 MET HG2 4.670 . 4.670 3.234 2.401 4.411 . 0 0 "[ . 1 . 2]" 1
13 1 6 MET H 1 6 MET QG 3.980 . 3.980 2.711 1.975 3.992 0.012 20 0 "[ . 1 . 2]" 1
14 1 6 MET H 1 6 MET HG3 4.670 . 4.670 3.426 1.984 4.596 . 0 0 "[ . 1 . 2]" 1
15 1 6 MET H 1 7 ALA H 4.620 . 4.620 3.211 1.976 4.247 . 0 0 "[ . 1 . 2]" 1
16 1 6 MET H 1 7 ALA MB 4.470 . 4.470 4.164 3.122 4.575 0.105 18 0 "[ . 1 . 2]" 1
17 1 6 MET QB 1 7 ALA H 3.800 . 3.800 3.211 1.867 3.906 0.106 7 0 "[ . 1 . 2]" 1
18 1 6 MET HB2 1 7 ALA H 4.480 . 4.480 3.723 1.875 4.470 . 0 0 "[ . 1 . 2]" 1
19 1 6 MET HB3 1 7 ALA H 4.480 . 4.480 3.786 2.488 4.450 . 0 0 "[ . 1 . 2]" 1
20 1 7 ALA H 1 7 ALA MB 3.130 . 3.130 2.616 2.278 2.994 . 0 0 "[ . 1 . 2]" 1
21 1 7 ALA H 1 8 TYR H 5.330 . 5.330 4.065 2.667 4.695 . 0 0 "[ . 1 . 2]" 1
22 1 7 ALA HA 1 8 TYR H 3.260 . 3.260 2.844 2.326 3.406 0.146 20 0 "[ . 1 . 2]" 1
23 1 7 ALA HA 1 8 TYR HA 4.940 . 4.940 4.452 4.173 5.057 0.117 18 0 "[ . 1 . 2]" 1
24 1 7 ALA HA 1 8 TYR QD 4.700 . 4.700 3.956 2.798 4.731 0.031 7 0 "[ . 1 . 2]" 1
25 1 7 ALA HA 1 9 VAL H 4.640 . 4.640 3.949 2.765 4.673 0.033 3 0 "[ . 1 . 2]" 1
26 1 7 ALA MB 1 8 TYR H 3.570 . 3.570 2.007 1.695 3.489 . 0 0 "[ . 1 . 2]" 1
27 1 7 ALA MB 1 8 TYR HA 4.280 . 4.280 3.980 3.538 4.184 . 0 0 "[ . 1 . 2]" 1
28 1 7 ALA MB 1 8 TYR QD 4.240 . 4.240 3.279 2.380 4.136 . 0 0 "[ . 1 . 2]" 1
29 1 7 ALA MB 1 8 TYR QE 4.710 . 4.710 4.344 3.214 4.873 0.163 3 0 "[ . 1 . 2]" 1
30 1 7 ALA MB 1 9 VAL H 4.590 . 4.590 2.901 2.189 4.238 . 0 0 "[ . 1 . 2]" 1
31 1 7 ALA MB 1 9 VAL HB 4.760 . 4.760 4.108 3.223 4.989 0.229 16 0 "[ . 1 . 2]" 1
32 1 7 ALA MB 1 9 VAL QG 4.070 . 4.070 3.596 2.279 4.223 0.153 1 0 "[ . 1 . 2]" 1
33 1 8 TYR H 1 8 TYR HB2 4.140 . 4.140 2.807 2.437 3.567 . 0 0 "[ . 1 . 2]" 1
34 1 8 TYR H 1 8 TYR QB 3.340 . 3.340 2.725 2.402 3.361 0.021 1 0 "[ . 1 . 2]" 1
35 1 8 TYR H 1 8 TYR HB3 4.140 . 4.140 3.802 3.591 4.149 0.009 16 0 "[ . 1 . 2]" 1
36 1 8 TYR H 1 8 TYR QD 4.020 . 4.020 2.686 2.230 3.454 . 0 0 "[ . 1 . 2]" 1
37 1 8 TYR H 1 9 VAL H 3.780 . 3.780 2.423 1.891 3.685 . 0 0 "[ . 1 . 2]" 1
38 1 8 TYR H 1 9 VAL QG 4.470 . 4.470 3.504 3.084 4.099 . 0 0 "[ . 1 . 2]" 1
39 1 8 TYR H 1 20 ILE MD 5.500 . 5.500 4.277 2.905 4.987 . 0 0 "[ . 1 . 2]" 1
40 1 8 TYR HA 1 8 TYR QD 3.520 . 3.520 2.945 2.581 3.164 . 0 0 "[ . 1 . 2]" 1
41 1 8 TYR HA 1 9 VAL H 3.130 . 3.130 2.945 2.172 3.211 0.081 17 0 "[ . 1 . 2]" 1
42 1 8 TYR HA 1 9 VAL HA 4.670 . 4.670 4.418 4.234 4.535 . 0 0 "[ . 1 . 2]" 1
43 1 8 TYR HA 1 9 VAL QG 4.740 . 4.740 4.301 3.915 4.641 . 0 0 "[ . 1 . 2]" 1
44 1 8 TYR HA 1 20 ILE HB 4.210 . 4.210 2.424 1.833 4.116 . 0 0 "[ . 1 . 2]" 1
45 1 8 TYR HA 1 20 ILE MD 4.430 . 4.430 2.260 1.857 2.927 . 0 0 "[ . 1 . 2]" 1
46 1 8 TYR HA 1 20 ILE MG 4.580 . 4.580 3.330 2.521 4.520 . 0 0 "[ . 1 . 2]" 1
47 1 8 TYR QB 1 9 VAL H 3.970 . 3.970 3.592 3.216 3.835 . 0 0 "[ . 1 . 2]" 1
48 1 8 TYR QB 1 9 VAL QG 4.800 . 4.800 3.304 2.776 4.158 . 0 0 "[ . 1 . 2]" 1
49 1 8 TYR QB 1 20 ILE H 4.890 . 4.890 3.132 2.659 3.899 . 0 0 "[ . 1 . 2]" 1
50 1 8 TYR QB 1 20 ILE HB 4.610 . 4.610 2.332 1.795 2.799 . 0 0 "[ . 1 . 2]" 1
51 1 8 TYR QB 1 20 ILE MG 5.340 . 5.340 3.314 2.063 3.920 . 0 0 "[ . 1 . 2]" 1
52 1 8 TYR HB2 1 9 VAL H 4.750 . 4.750 3.856 3.335 4.384 . 0 0 "[ . 1 . 2]" 1
53 1 8 TYR HB3 1 9 VAL H 4.750 . 4.750 4.336 4.083 4.456 . 0 0 "[ . 1 . 2]" 1
54 1 8 TYR QD 1 9 VAL H 4.730 . 4.730 4.592 4.096 4.811 0.081 18 0 "[ . 1 . 2]" 1
55 1 8 TYR QD 1 20 ILE HB 4.030 . 4.030 2.729 1.997 3.976 . 0 0 "[ . 1 . 2]" 1
56 1 8 TYR QD 1 20 ILE MD 4.750 . 4.750 3.585 2.574 4.206 . 0 0 "[ . 1 . 2]" 1
57 1 8 TYR QD 1 20 ILE MG 3.800 . 3.800 2.311 1.970 2.993 . 0 0 "[ . 1 . 2]" 1
58 1 8 TYR QE 1 20 ILE MG 4.550 . 4.550 3.433 2.776 4.455 . 0 0 "[ . 1 . 2]" 1
59 1 9 VAL H 1 9 VAL HB 3.400 . 3.400 2.816 2.639 3.320 . 0 0 "[ . 1 . 2]" 1
60 1 9 VAL H 1 9 VAL QG 3.360 . 3.360 2.723 2.377 2.882 . 0 0 "[ . 1 . 2]" 1
61 1 9 VAL H 1 10 ILE H 4.390 . 4.390 4.060 3.739 4.258 . 0 0 "[ . 1 . 2]" 1
62 1 9 VAL H 1 10 ILE HG12 4.900 . 4.900 4.575 3.957 4.894 . 0 0 "[ . 1 . 2]" 1
63 1 9 VAL HA 1 10 ILE H 3.020 . 3.020 2.096 2.055 2.143 . 0 0 "[ . 1 . 2]" 1
64 1 9 VAL HA 1 10 ILE HG13 3.790 . 3.790 3.756 3.535 3.852 0.062 18 0 "[ . 1 . 2]" 1
65 1 9 VAL HB 1 10 ILE H 4.350 . 4.350 4.231 4.082 4.383 0.033 16 0 "[ . 1 . 2]" 1
66 1 9 VAL QG 1 10 ILE H 3.510 . 3.510 2.855 2.598 3.106 . 0 0 "[ . 1 . 2]" 1
67 1 9 VAL QG 1 10 ILE HA 4.330 . 4.330 3.630 3.414 3.985 . 0 0 "[ . 1 . 2]" 1
68 1 9 VAL QG 1 11 ARG H 4.950 . 4.950 4.585 4.033 4.905 . 0 0 "[ . 1 . 2]" 1
69 1 9 VAL QG 1 11 ARG QG 3.820 . 3.820 3.520 2.870 3.834 0.014 16 0 "[ . 1 . 2]" 1
70 1 9 VAL QG 1 17 GLN HB2 4.720 . 4.720 3.859 1.923 4.769 0.049 1 0 "[ . 1 . 2]" 1
71 1 9 VAL QG 1 17 GLN HB3 4.210 . 4.210 2.729 2.110 3.400 . 0 0 "[ . 1 . 2]" 1
72 1 9 VAL QG 1 17 GLN QE 4.170 . 4.170 3.186 2.328 4.242 0.072 18 0 "[ . 1 . 2]" 1
73 1 9 VAL QG 1 17 GLN QG 3.680 . 3.680 2.908 2.054 3.699 0.019 20 0 "[ . 1 . 2]" 1
74 1 9 VAL MG1 1 10 ILE H 4.180 . 4.180 3.086 2.632 4.091 . 0 0 "[ . 1 . 2]" 1
75 1 9 VAL MG1 1 17 GLN HB3 5.300 . 5.300 3.143 2.160 5.334 0.034 16 0 "[ . 1 . 2]" 1
76 1 9 VAL MG2 1 10 ILE H 4.180 . 4.180 3.942 2.634 4.216 0.036 14 0 "[ . 1 . 2]" 1
77 1 9 VAL MG2 1 17 GLN HB3 5.300 . 5.300 4.021 2.115 5.233 . 0 0 "[ . 1 . 2]" 1
78 1 10 ILE H 1 10 ILE HB 3.730 . 3.730 2.731 2.608 2.855 . 0 0 "[ . 1 . 2]" 1
79 1 10 ILE H 1 10 ILE MD 4.700 . 4.700 4.012 3.834 4.232 . 0 0 "[ . 1 . 2]" 1
80 1 10 ILE H 1 10 ILE HG12 3.940 . 3.940 3.828 3.616 3.956 0.016 6 0 "[ . 1 . 2]" 1
81 1 10 ILE H 1 10 ILE HG13 4.050 . 4.050 2.697 2.440 2.960 . 0 0 "[ . 1 . 2]" 1
82 1 10 ILE H 1 10 ILE MG 4.320 . 4.320 3.896 3.843 3.958 . 0 0 "[ . 1 . 2]" 1
83 1 10 ILE H 1 11 ARG H 4.630 . 4.630 4.429 4.304 4.510 . 0 0 "[ . 1 . 2]" 1
84 1 10 ILE H 1 18 ILE H 4.290 . 4.290 2.985 2.580 3.316 . 0 0 "[ . 1 . 2]" 1
85 1 10 ILE H 1 18 ILE HB 4.860 . 4.860 2.559 2.112 2.904 . 0 0 "[ . 1 . 2]" 1
86 1 10 ILE HA 1 10 ILE MD 4.600 . 4.600 3.920 3.867 3.953 . 0 0 "[ . 1 . 2]" 1
87 1 10 ILE HA 1 10 ILE MG 3.450 . 3.450 2.397 2.328 2.534 . 0 0 "[ . 1 . 2]" 1
88 1 10 ILE HA 1 11 ARG H 2.850 . 2.850 2.401 2.128 2.585 . 0 0 "[ . 1 . 2]" 1
89 1 10 ILE HB 1 10 ILE MD 3.630 . 3.630 2.442 2.400 2.503 . 0 0 "[ . 1 . 2]" 1
90 1 10 ILE HB 1 11 ARG H 3.960 . 3.960 3.738 3.509 4.006 0.046 4 0 "[ . 1 . 2]" 1
91 1 10 ILE HB 1 18 ILE H 4.730 . 4.730 3.879 3.483 4.075 . 0 0 "[ . 1 . 2]" 1
92 1 10 ILE HB 1 18 ILE MD 4.330 . 4.330 4.337 4.038 4.413 0.083 4 0 "[ . 1 . 2]" 1
93 1 10 ILE HB 1 18 ILE HG12 4.660 . 4.660 3.689 3.283 3.933 . 0 0 "[ . 1 . 2]" 1
94 1 10 ILE MD 1 18 ILE HB 5.060 . 5.060 3.626 3.307 3.912 . 0 0 "[ . 1 . 2]" 1
95 1 10 ILE MD 1 27 PRO HB2 4.910 . 4.910 3.487 2.883 4.802 . 0 0 "[ . 1 . 2]" 1
96 1 10 ILE MD 1 27 PRO HB3 4.690 . 4.690 2.541 2.006 3.677 . 0 0 "[ . 1 . 2]" 1
97 1 10 ILE HG12 1 10 ILE MG 3.720 . 3.720 2.391 2.350 2.470 . 0 0 "[ . 1 . 2]" 1
98 1 10 ILE HG12 1 11 ARG H 4.640 . 4.640 4.504 4.311 4.594 . 0 0 "[ . 1 . 2]" 1
99 1 10 ILE HG12 1 18 ILE HB 4.810 . 4.810 4.703 4.564 4.787 . 0 0 "[ . 1 . 2]" 1
100 1 10 ILE HG12 1 20 ILE MD 3.750 . 3.750 3.497 3.088 3.774 0.024 16 0 "[ . 1 . 2]" 1
101 1 10 ILE HG13 1 10 ILE MG 3.680 . 3.680 3.203 3.188 3.216 . 0 0 "[ . 1 . 2]" 1
102 1 10 ILE HG13 1 18 ILE H 5.500 . 5.500 5.304 4.895 5.516 0.016 9 0 "[ . 1 . 2]" 1
103 1 10 ILE HG13 1 18 ILE HB 4.480 . 4.480 3.640 3.366 3.898 . 0 0 "[ . 1 . 2]" 1
104 1 10 ILE MG 1 11 ARG H 3.570 . 3.570 2.151 1.874 2.627 . 0 0 "[ . 1 . 2]" 1
105 1 10 ILE MG 1 12 ASP H 4.900 . 4.900 4.434 3.999 4.738 . 0 0 "[ . 1 . 2]" 1
106 1 10 ILE MG 1 18 ILE HB 4.290 . 4.290 3.419 3.079 3.633 . 0 0 "[ . 1 . 2]" 1
107 1 10 ILE MG 1 18 ILE HG12 4.180 . 4.180 4.017 3.662 4.187 0.007 12 0 "[ . 1 . 2]" 1
108 1 11 ARG H 1 11 ARG QB 3.210 . 3.210 2.506 2.403 2.607 . 0 0 "[ . 1 . 2]" 1
109 1 11 ARG H 1 11 ARG QD 4.640 . 4.640 4.226 3.944 4.577 . 0 0 "[ . 1 . 2]" 1
110 1 11 ARG H 1 11 ARG HG2 4.240 . 4.240 3.757 2.842 4.192 . 0 0 "[ . 1 . 2]" 1
111 1 11 ARG H 1 11 ARG QG 3.530 . 3.530 2.752 2.461 3.146 . 0 0 "[ . 1 . 2]" 1
112 1 11 ARG H 1 11 ARG HG3 4.240 . 4.240 2.934 2.501 4.108 . 0 0 "[ . 1 . 2]" 1
113 1 11 ARG H 1 12 ASP H 4.290 . 4.290 4.316 4.246 4.355 0.065 5 0 "[ . 1 . 2]" 1
114 1 11 ARG HA 1 12 ASP H 2.960 . 2.960 2.035 1.905 2.229 . 0 0 "[ . 1 . 2]" 1
115 1 11 ARG HA 1 17 GLN HA 3.880 . 3.880 2.920 2.452 3.436 . 0 0 "[ . 1 . 2]" 1
116 1 11 ARG HA 1 18 ILE H 4.540 . 4.540 3.125 2.872 3.363 . 0 0 "[ . 1 . 2]" 1
117 1 11 ARG HA 1 18 ILE HG13 5.210 . 5.210 4.653 4.132 5.217 0.007 4 0 "[ . 1 . 2]" 1
118 1 11 ARG QB 1 11 ARG QD 3.290 . 3.290 2.196 2.046 2.381 . 0 0 "[ . 1 . 2]" 1
119 1 11 ARG QB 1 12 ASP H 3.630 . 3.630 3.021 2.763 3.298 . 0 0 "[ . 1 . 2]" 1
120 1 11 ARG QB 1 15 GLY H 4.460 . 4.460 4.110 3.798 4.442 . 0 0 "[ . 1 . 2]" 1
121 1 11 ARG QB 1 15 GLY HA2 4.140 . 4.140 2.625 2.469 2.840 . 0 0 "[ . 1 . 2]" 1
122 1 11 ARG QB 1 15 GLY HA3 4.140 . 4.140 4.168 3.954 4.242 0.102 17 0 "[ . 1 . 2]" 1
123 1 11 ARG QD 1 15 GLY QA 4.260 . 4.260 3.434 2.694 4.296 0.036 11 0 "[ . 1 . 2]" 1
124 1 11 ARG QG 1 12 ASP H 4.820 . 4.820 4.019 3.565 4.539 . 0 0 "[ . 1 . 2]" 1
125 1 11 ARG QG 1 18 ILE H 5.340 . 5.340 4.517 4.159 5.184 . 0 0 "[ . 1 . 2]" 1
126 1 12 ASP H 1 12 ASP HB2 3.910 . 3.910 2.749 2.461 3.729 . 0 0 "[ . 1 . 2]" 1
127 1 12 ASP H 1 12 ASP QB 3.290 . 3.290 2.208 2.067 2.551 . 0 0 "[ . 1 . 2]" 1
128 1 12 ASP H 1 12 ASP HB3 3.910 . 3.910 2.349 2.131 2.598 . 0 0 "[ . 1 . 2]" 1
129 1 12 ASP H 1 13 GLU H 4.810 . 4.810 4.491 4.422 4.575 . 0 0 "[ . 1 . 2]" 1
130 1 12 ASP H 1 16 ASN H 4.100 . 4.100 3.338 2.802 3.811 . 0 0 "[ . 1 . 2]" 1
131 1 12 ASP H 1 16 ASN HB2 4.550 . 4.550 3.803 3.470 4.317 . 0 0 "[ . 1 . 2]" 1
132 1 12 ASP H 1 17 GLN HA 5.100 . 5.100 3.669 3.334 4.195 . 0 0 "[ . 1 . 2]" 1
133 1 12 ASP H 1 18 ILE MD 4.500 . 4.500 3.894 3.284 4.220 . 0 0 "[ . 1 . 2]" 1
134 1 12 ASP H 1 18 ILE HG12 4.150 . 4.150 2.782 2.555 2.979 . 0 0 "[ . 1 . 2]" 1
135 1 12 ASP H 1 18 ILE HG13 4.700 . 4.700 4.044 3.770 4.250 . 0 0 "[ . 1 . 2]" 1
136 1 12 ASP H 1 18 ILE MG 5.500 . 5.500 5.408 5.238 5.533 0.033 5 0 "[ . 1 . 2]" 1
137 1 12 ASP HA 1 13 GLU H 3.180 . 3.180 2.505 2.362 2.723 . 0 0 "[ . 1 . 2]" 1
138 1 12 ASP HA 1 14 TRP H 4.800 . 4.800 4.377 4.204 4.542 . 0 0 "[ . 1 . 2]" 1
139 1 12 ASP HA 1 15 GLY H 4.740 . 4.740 4.453 4.265 4.764 0.024 5 0 "[ . 1 . 2]" 1
140 1 12 ASP HA 1 18 ILE MD 4.360 . 4.360 3.531 2.662 4.332 . 0 0 "[ . 1 . 2]" 1
141 1 12 ASP QB 1 13 GLU H 2.970 . 2.970 3.001 2.057 3.187 0.217 9 0 "[ . 1 . 2]" 1
142 1 12 ASP QB 1 13 GLU HA 4.910 . 4.910 4.862 4.594 4.974 0.064 1 0 "[ . 1 . 2]" 1
143 1 12 ASP QB 1 13 GLU QG 4.980 . 4.980 4.311 3.290 4.744 . 0 0 "[ . 1 . 2]" 1
144 1 12 ASP QB 1 14 TRP H 3.260 . 3.260 3.155 2.738 3.364 0.104 20 0 "[ . 1 . 2]" 1
145 1 12 ASP QB 1 15 GLY H 4.160 . 4.160 3.058 2.653 3.849 . 0 0 "[ . 1 . 2]" 1
146 1 12 ASP QB 1 16 ASN H 4.610 . 4.610 2.267 1.732 3.613 . 0 0 "[ . 1 . 2]" 1
147 1 12 ASP QB 1 18 ILE MD 3.720 . 3.720 2.170 1.905 2.456 . 0 0 "[ . 1 . 2]" 1
148 1 12 ASP QB 1 18 ILE HG13 4.630 . 4.630 3.255 2.693 3.702 . 0 0 "[ . 1 . 2]" 1
149 1 12 ASP QB 1 18 ILE MG 4.630 . 4.630 4.610 4.349 4.688 0.058 5 0 "[ . 1 . 2]" 1
150 1 12 ASP HB2 1 13 GLU H 3.810 . 3.810 3.446 2.071 3.767 . 0 0 "[ . 1 . 2]" 1
151 1 12 ASP HB3 1 13 GLU H 3.810 . 3.810 3.417 3.209 3.636 . 0 0 "[ . 1 . 2]" 1
152 1 13 GLU H 1 13 GLU HB2 3.770 . 3.770 2.979 2.450 3.692 . 0 0 "[ . 1 . 2]" 1
153 1 13 GLU H 1 13 GLU QB 3.220 . 3.220 2.557 2.410 2.739 . 0 0 "[ . 1 . 2]" 1
154 1 13 GLU H 1 13 GLU HB3 3.770 . 3.770 3.246 2.629 3.636 . 0 0 "[ . 1 . 2]" 1
155 1 13 GLU H 1 13 GLU QG 3.560 . 3.560 2.044 1.844 2.217 . 0 0 "[ . 1 . 2]" 1
156 1 13 GLU H 1 14 TRP H 3.480 . 3.480 2.555 2.339 2.744 . 0 0 "[ . 1 . 2]" 1
157 1 13 GLU H 1 15 GLY H 4.400 . 4.400 3.759 3.524 4.231 . 0 0 "[ . 1 . 2]" 1
158 1 13 GLU HA 1 13 GLU QG 3.750 . 3.750 2.912 2.343 3.365 . 0 0 "[ . 1 . 2]" 1
159 1 13 GLU HA 1 15 GLY H 4.610 . 4.610 3.749 3.333 4.629 0.019 20 0 "[ . 1 . 2]" 1
160 1 13 GLU HB2 1 14 TRP H 4.250 . 4.250 3.223 2.536 3.967 . 0 0 "[ . 1 . 2]" 1
161 1 13 GLU HB3 1 14 TRP H 4.250 . 4.250 3.972 3.665 4.238 . 0 0 "[ . 1 . 2]" 1
162 1 13 GLU QG 1 14 TRP H 3.970 . 3.970 3.347 2.308 4.042 0.072 5 0 "[ . 1 . 2]" 1
163 1 14 TRP H 1 14 TRP HB2 3.750 . 3.750 2.543 2.341 2.759 . 0 0 "[ . 1 . 2]" 1
164 1 14 TRP H 1 14 TRP HB3 3.750 . 3.750 2.958 2.424 3.653 . 0 0 "[ . 1 . 2]" 1
165 1 14 TRP H 1 14 TRP HD1 5.180 . 5.180 4.156 2.795 5.179 . 0 0 "[ . 1 . 2]" 1
166 1 14 TRP H 1 14 TRP HE3 4.840 . 4.840 4.778 4.456 4.949 0.109 10 0 "[ . 1 . 2]" 1
167 1 14 TRP H 1 15 GLY H 2.980 . 2.980 2.383 2.187 2.543 . 0 0 "[ . 1 . 2]" 1
168 1 14 TRP H 1 15 GLY QA 4.930 . 4.930 4.318 4.200 4.441 . 0 0 "[ . 1 . 2]" 1
169 1 14 TRP H 1 16 ASN H 4.160 . 4.160 3.403 3.127 3.873 . 0 0 "[ . 1 . 2]" 1
170 1 14 TRP H 1 16 ASN QD 4.420 . 4.420 3.555 2.808 4.408 . 0 0 "[ . 1 . 2]" 1
171 1 14 TRP HA 1 14 TRP HD1 4.730 . 4.730 4.318 3.859 4.462 . 0 0 "[ . 1 . 2]" 1
172 1 14 TRP HA 1 14 TRP HE1 5.500 . 5.500 5.520 5.337 5.599 0.099 5 0 "[ . 1 . 2]" 1
173 1 14 TRP HA 1 14 TRP HE3 4.010 . 4.010 2.789 2.436 3.657 . 0 0 "[ . 1 . 2]" 1
174 1 14 TRP QB 1 14 TRP HE3 3.550 . 3.550 2.635 2.399 2.779 . 0 0 "[ . 1 . 2]" 1
175 1 14 TRP QB 1 15 GLY H 4.080 . 4.080 3.199 2.470 3.599 . 0 0 "[ . 1 . 2]" 1
176 1 14 TRP QB 1 16 ASN H 4.370 . 4.370 2.946 2.526 3.348 . 0 0 "[ . 1 . 2]" 1
177 1 14 TRP QB 1 16 ASN QD 3.540 . 3.540 2.066 1.757 2.601 . 0 0 "[ . 1 . 2]" 1
178 1 14 TRP HB2 1 15 GLY H 4.720 . 4.720 3.866 2.817 4.282 . 0 0 "[ . 1 . 2]" 1
179 1 14 TRP HB2 1 16 ASN H 5.050 . 5.050 3.945 2.881 4.914 . 0 0 "[ . 1 . 2]" 1
180 1 14 TRP HB3 1 15 GLY H 4.720 . 4.720 3.634 2.500 4.436 . 0 0 "[ . 1 . 2]" 1
181 1 14 TRP HB3 1 16 ASN H 5.050 . 5.050 3.437 2.546 4.462 . 0 0 "[ . 1 . 2]" 1
182 1 14 TRP HD1 1 15 GLY H 5.440 . 5.440 4.872 3.695 5.459 0.019 9 0 "[ . 1 . 2]" 1
183 1 14 TRP HD1 1 16 ASN QD 4.470 . 4.470 2.949 2.166 4.148 . 0 0 "[ . 1 . 2]" 1
184 1 15 GLY H 1 16 ASN H 3.240 . 3.240 2.261 1.772 2.549 . 0 0 "[ . 1 . 2]" 1
185 1 16 ASN H 1 16 ASN HB2 3.380 . 3.380 2.540 2.410 2.680 . 0 0 "[ . 1 . 2]" 1
186 1 16 ASN H 1 16 ASN HB3 3.950 . 3.950 3.650 3.599 3.682 . 0 0 "[ . 1 . 2]" 1
187 1 16 ASN H 1 16 ASN QD 4.180 . 4.180 2.808 2.225 3.696 . 0 0 "[ . 1 . 2]" 1
188 1 16 ASN HA 1 17 GLN H 2.910 . 2.910 2.328 2.162 2.546 . 0 0 "[ . 1 . 2]" 1
189 1 16 ASN HB2 1 16 ASN HD22 3.910 . 3.910 3.459 3.437 3.477 . 0 0 "[ . 1 . 2]" 1
190 1 16 ASN HB2 1 17 GLN H 4.150 . 4.150 3.772 3.293 4.148 . 0 0 "[ . 1 . 2]" 1
191 1 16 ASN HB2 1 18 ILE MD 4.430 . 4.430 3.696 2.485 4.433 0.003 10 0 "[ . 1 . 2]" 1
192 1 16 ASN HB3 1 17 GLN H 3.730 . 3.730 2.658 2.062 3.140 . 0 0 "[ . 1 . 2]" 1
193 1 16 ASN HB3 1 18 ILE MD 4.910 . 4.910 4.224 2.741 4.941 0.031 7 0 "[ . 1 . 2]" 1
194 1 17 GLN H 1 17 GLN HB2 3.370 . 3.370 2.535 2.337 3.520 0.150 20 0 "[ . 1 . 2]" 1
195 1 17 GLN H 1 17 GLN HB3 3.630 . 3.630 3.513 2.490 3.645 0.015 3 0 "[ . 1 . 2]" 1
196 1 17 GLN H 1 17 GLN HG2 4.400 . 4.400 3.577 1.976 4.196 . 0 0 "[ . 1 . 2]" 1
197 1 17 GLN H 1 17 GLN QG 3.650 . 3.650 2.557 1.957 3.524 . 0 0 "[ . 1 . 2]" 1
198 1 17 GLN H 1 17 GLN HG3 4.400 . 4.400 2.793 2.356 3.984 . 0 0 "[ . 1 . 2]" 1
199 1 17 GLN H 1 18 ILE H 4.690 . 4.690 4.298 3.831 4.503 . 0 0 "[ . 1 . 2]" 1
200 1 17 GLN H 1 18 ILE HG12 5.500 . 5.500 5.296 4.954 5.566 0.066 11 0 "[ . 1 . 2]" 1
201 1 17 GLN HA 1 17 GLN HG2 3.800 . 3.800 2.688 2.344 3.736 . 0 0 "[ . 1 . 2]" 1
202 1 17 GLN HA 1 17 GLN HG3 3.800 . 3.800 3.009 2.369 3.777 . 0 0 "[ . 1 . 2]" 1
203 1 17 GLN HA 1 18 ILE H 2.950 . 2.950 2.009 1.932 2.104 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLN HA 1 18 ILE MD 4.820 . 4.820 4.614 4.236 4.833 0.013 11 0 "[ . 1 . 2]" 1
205 1 17 GLN HA 1 18 ILE HG12 4.030 . 4.030 3.859 3.564 4.040 0.010 9 0 "[ . 1 . 2]" 1
206 1 17 GLN HB2 1 17 GLN QE 4.560 . 4.560 3.137 1.771 4.241 . 0 0 "[ . 1 . 2]" 1
207 1 17 GLN HB3 1 18 ILE H 4.250 . 4.250 3.359 2.703 3.981 . 0 0 "[ . 1 . 2]" 1
208 1 17 GLN QG 1 18 ILE H 4.160 . 4.160 3.923 3.683 4.227 0.067 15 0 "[ . 1 . 2]" 1
209 1 17 GLN HG2 1 18 ILE H 4.760 . 4.760 4.287 3.822 4.866 0.106 18 0 "[ . 1 . 2]" 1
210 1 17 GLN HG3 1 18 ILE H 4.760 . 4.760 4.701 3.872 4.873 0.113 11 0 "[ . 1 . 2]" 1
211 1 18 ILE H 1 18 ILE HB 3.450 . 3.450 2.426 2.339 2.560 . 0 0 "[ . 1 . 2]" 1
212 1 18 ILE H 1 18 ILE MD 4.230 . 4.230 3.596 3.122 3.874 . 0 0 "[ . 1 . 2]" 1
213 1 18 ILE H 1 18 ILE HG12 3.890 . 3.890 2.606 2.068 2.938 . 0 0 "[ . 1 . 2]" 1
214 1 18 ILE H 1 18 ILE HG13 4.050 . 4.050 3.903 3.563 4.091 0.041 10 0 "[ . 1 . 2]" 1
215 1 18 ILE H 1 18 ILE MG 3.910 . 3.910 3.759 3.704 3.807 . 0 0 "[ . 1 . 2]" 1
216 1 18 ILE HA 1 18 ILE MD 4.030 . 4.030 2.066 1.974 2.134 . 0 0 "[ . 1 . 2]" 1
217 1 18 ILE HA 1 18 ILE HG12 3.980 . 3.980 3.050 2.752 3.176 . 0 0 "[ . 1 . 2]" 1
218 1 18 ILE HA 1 18 ILE HG13 4.010 . 4.010 3.734 3.654 3.774 . 0 0 "[ . 1 . 2]" 1
219 1 18 ILE HA 1 18 ILE MG 3.490 . 3.490 2.465 2.349 2.587 . 0 0 "[ . 1 . 2]" 1
220 1 18 ILE HA 1 19 TRP H 2.870 . 2.870 2.031 1.809 2.136 . 0 0 "[ . 1 . 2]" 1
221 1 18 ILE HB 1 18 ILE MD 3.540 . 3.540 3.221 3.193 3.236 . 0 0 "[ . 1 . 2]" 1
222 1 18 ILE HB 1 19 TRP H 4.150 . 4.150 4.161 4.075 4.203 0.053 11 0 "[ . 1 . 2]" 1
223 1 18 ILE MD 1 18 ILE MG 3.070 . 3.070 1.953 1.861 2.045 . 0 0 "[ . 1 . 2]" 1
224 1 18 ILE MD 1 19 TRP H 4.660 . 4.660 3.597 3.141 3.777 . 0 0 "[ . 1 . 2]" 1
225 1 18 ILE MD 1 27 PRO HB2 5.420 . 5.420 4.174 3.879 4.755 . 0 0 "[ . 1 . 2]" 1
226 1 18 ILE MD 1 27 PRO HB3 5.060 . 5.060 5.095 5.003 5.152 0.092 7 0 "[ . 1 . 2]" 1
227 1 18 ILE MD 1 28 ASP H 4.780 . 4.780 4.010 3.626 4.849 0.069 11 0 "[ . 1 . 2]" 1
228 1 18 ILE HG12 1 19 TRP H 5.220 . 5.220 4.978 4.537 5.079 . 0 0 "[ . 1 . 2]" 1
229 1 18 ILE HG13 1 19 TRP H 5.350 . 5.350 5.379 5.159 5.444 0.094 4 0 "[ . 1 . 2]" 1
230 1 18 ILE MG 1 19 TRP H 3.410 . 3.410 2.823 2.488 3.057 . 0 0 "[ . 1 . 2]" 1
231 1 18 ILE MG 1 19 TRP HB2 4.510 . 4.510 4.538 4.263 4.655 0.145 20 0 "[ . 1 . 2]" 1
232 1 18 ILE MG 1 20 ILE MD 3.910 . 3.910 3.824 2.822 3.968 0.058 16 0 "[ . 1 . 2]" 1
233 1 18 ILE MG 1 20 ILE HG12 4.290 . 4.290 3.468 2.997 3.647 . 0 0 "[ . 1 . 2]" 1
234 1 18 ILE MG 1 27 PRO HB2 3.950 . 3.950 2.317 2.001 3.151 . 0 0 "[ . 1 . 2]" 1
235 1 18 ILE MG 1 27 PRO HB3 4.010 . 4.010 2.547 2.400 2.694 . 0 0 "[ . 1 . 2]" 1
236 1 18 ILE MG 1 27 PRO QG 4.570 . 4.570 3.601 3.377 3.949 . 0 0 "[ . 1 . 2]" 1
237 1 18 ILE MG 1 28 ASP H 4.150 . 4.150 2.376 2.080 3.421 . 0 0 "[ . 1 . 2]" 1
238 1 18 ILE MG 1 28 ASP QB 3.900 . 3.900 2.555 1.941 3.913 0.013 11 0 "[ . 1 . 2]" 1
239 1 19 TRP H 1 19 TRP HB2 3.470 . 3.470 2.529 2.099 3.459 . 0 0 "[ . 1 . 2]" 1
240 1 19 TRP H 1 19 TRP HB3 3.840 . 3.840 3.523 2.970 3.688 . 0 0 "[ . 1 . 2]" 1
241 1 19 TRP H 1 19 TRP HD1 5.060 . 5.060 4.652 2.642 5.175 0.115 2 0 "[ . 1 . 2]" 1
242 1 19 TRP H 1 19 TRP HE3 4.150 . 4.150 2.924 2.226 3.943 . 0 0 "[ . 1 . 2]" 1
243 1 19 TRP H 1 28 ASP QB 4.910 . 4.910 3.106 2.119 4.156 . 0 0 "[ . 1 . 2]" 1
244 1 19 TRP HA 1 19 TRP HD1 5.000 . 5.000 3.168 2.557 4.625 . 0 0 "[ . 1 . 2]" 1
245 1 19 TRP HA 1 20 ILE H 3.340 . 3.340 2.140 2.055 2.228 . 0 0 "[ . 1 . 2]" 1
246 1 19 TRP HB2 1 19 TRP HE3 4.180 . 4.180 2.712 2.384 4.185 0.005 18 0 "[ . 1 . 2]" 1
247 1 19 TRP HB2 1 20 ILE H 5.420 . 5.420 3.931 2.776 4.329 . 0 0 "[ . 1 . 2]" 1
248 1 19 TRP HB2 1 33 MET ME 4.370 . 4.370 2.625 1.999 3.964 . 0 0 "[ . 1 . 2]" 1
249 1 19 TRP HB3 1 20 ILE H 4.540 . 4.540 3.163 2.650 4.041 . 0 0 "[ . 1 . 2]" 1
250 1 19 TRP HB3 1 33 MET ME 4.810 . 4.810 3.146 2.317 4.852 0.042 18 0 "[ . 1 . 2]" 1
251 1 19 TRP HB3 1 42 TRP HB2 4.400 . 4.400 2.836 2.206 3.950 . 0 0 "[ . 1 . 2]" 1
252 1 19 TRP HD1 1 20 ILE H 5.500 . 5.500 4.123 3.093 5.519 0.019 11 0 "[ . 1 . 2]" 1
253 1 19 TRP HE3 1 28 ASP QB 5.250 . 5.250 4.070 2.978 5.308 0.058 2 0 "[ . 1 . 2]" 1
254 1 20 ILE H 1 20 ILE HB 3.750 . 3.750 2.510 2.396 2.706 . 0 0 "[ . 1 . 2]" 1
255 1 20 ILE H 1 20 ILE MD 4.460 . 4.460 4.124 3.996 4.358 . 0 0 "[ . 1 . 2]" 1
256 1 20 ILE H 1 20 ILE HG12 4.310 . 4.310 3.891 3.728 4.105 . 0 0 "[ . 1 . 2]" 1
257 1 20 ILE H 1 20 ILE HG13 4.370 . 4.370 2.888 2.695 3.182 . 0 0 "[ . 1 . 2]" 1
258 1 20 ILE H 1 20 ILE MG 4.640 . 4.640 3.776 3.714 3.853 . 0 0 "[ . 1 . 2]" 1
259 1 20 ILE HA 1 20 ILE MD 3.950 . 3.950 3.778 3.741 3.819 . 0 0 "[ . 1 . 2]" 1
260 1 20 ILE HA 1 20 ILE HG12 4.180 . 4.180 2.428 2.386 2.486 . 0 0 "[ . 1 . 2]" 1
261 1 20 ILE HA 1 20 ILE MG 3.680 . 3.680 2.510 2.452 2.578 . 0 0 "[ . 1 . 2]" 1
262 1 20 ILE HA 1 21 CYS H 3.280 . 3.280 2.044 1.955 2.120 . 0 0 "[ . 1 . 2]" 1
263 1 20 ILE HA 1 27 PRO HA 3.560 . 3.560 1.970 1.891 2.048 . 0 0 "[ . 1 . 2]" 1
264 1 20 ILE HA 1 27 PRO HB2 4.660 . 4.660 4.627 4.531 4.702 0.042 2 0 "[ . 1 . 2]" 1
265 1 20 ILE HA 1 27 PRO HB3 4.440 . 4.440 3.882 3.773 4.015 . 0 0 "[ . 1 . 2]" 1
266 1 20 ILE HA 1 28 ASP H 4.360 . 4.360 3.600 3.165 4.095 . 0 0 "[ . 1 . 2]" 1
267 1 20 ILE HA 1 33 MET ME 4.570 . 4.570 3.839 2.951 4.355 . 0 0 "[ . 1 . 2]" 1
268 1 20 ILE HB 1 20 ILE MD 3.750 . 3.750 2.538 2.495 2.566 . 0 0 "[ . 1 . 2]" 1
269 1 20 ILE HB 1 21 CYS H 4.430 . 4.430 4.222 4.110 4.368 . 0 0 "[ . 1 . 2]" 1
270 1 20 ILE MD 1 21 CYS H 5.270 . 5.270 4.972 4.778 5.173 . 0 0 "[ . 1 . 2]" 1
271 1 20 ILE MD 1 25 ASN HA 5.140 . 5.140 4.573 4.108 4.858 . 0 0 "[ . 1 . 2]" 1
272 1 20 ILE MD 1 27 PRO HA 3.810 . 3.810 3.698 3.592 3.831 0.021 17 0 "[ . 1 . 2]" 1
273 1 20 ILE MD 1 27 PRO HB2 4.370 . 4.370 4.310 4.198 4.389 0.019 9 0 "[ . 1 . 2]" 1
274 1 20 ILE MD 1 27 PRO HB3 4.030 . 4.030 2.796 2.678 2.878 . 0 0 "[ . 1 . 2]" 1
275 1 20 ILE MD 1 27 PRO HD2 4.460 . 4.460 4.491 4.355 4.546 0.086 4 0 "[ . 1 . 2]" 1
276 1 20 ILE MD 1 27 PRO HD3 4.640 . 4.640 3.017 2.831 3.101 . 0 0 "[ . 1 . 2]" 1
277 1 20 ILE MD 1 27 PRO HG2 4.780 . 4.780 4.756 4.615 4.815 0.035 15 0 "[ . 1 . 2]" 1
278 1 20 ILE MD 1 27 PRO HG3 4.780 . 4.780 3.563 3.368 3.646 . 0 0 "[ . 1 . 2]" 1
279 1 20 ILE MD 1 28 ASP H 5.500 . 5.500 5.286 5.106 5.514 0.014 1 0 "[ . 1 . 2]" 1
280 1 20 ILE HG12 1 20 ILE MG 3.590 . 3.590 2.460 2.417 2.498 . 0 0 "[ . 1 . 2]" 1
281 1 20 ILE HG12 1 27 PRO HB3 3.680 . 3.680 2.083 1.952 2.242 . 0 0 "[ . 1 . 2]" 1
282 1 20 ILE HG12 1 27 PRO HD2 4.410 . 4.410 4.394 4.177 4.440 0.030 11 0 "[ . 1 . 2]" 1
283 1 20 ILE HG12 1 28 ASP H 5.150 . 5.150 4.073 3.923 4.381 . 0 0 "[ . 1 . 2]" 1
284 1 20 ILE HG13 1 20 ILE MG 3.710 . 3.710 3.217 3.202 3.228 . 0 0 "[ . 1 . 2]" 1
285 1 20 ILE HG13 1 27 PRO HB2 4.720 . 4.720 4.468 4.365 4.567 . 0 0 "[ . 1 . 2]" 1
286 1 20 ILE MG 1 21 CYS H 3.600 . 3.600 2.748 2.536 3.122 . 0 0 "[ . 1 . 2]" 1
287 1 20 ILE MG 1 24 CYS H 4.940 . 4.940 4.812 4.507 4.957 0.017 17 0 "[ . 1 . 2]" 1
288 1 20 ILE MG 1 25 ASN H 3.920 . 3.920 3.627 3.362 3.814 . 0 0 "[ . 1 . 2]" 1
289 1 20 ILE MG 1 25 ASN HA 3.340 . 3.340 2.367 2.124 2.710 . 0 0 "[ . 1 . 2]" 1
290 1 20 ILE MG 1 25 ASN QB 4.650 . 4.650 3.592 2.840 4.217 . 0 0 "[ . 1 . 2]" 1
291 1 20 ILE MG 1 26 LYS H 3.810 . 3.810 3.081 2.723 3.336 . 0 0 "[ . 1 . 2]" 1
292 1 20 ILE MG 1 27 PRO HA 4.170 . 4.170 3.259 3.106 3.511 . 0 0 "[ . 1 . 2]" 1
293 1 20 ILE MG 1 27 PRO HB3 4.670 . 4.670 4.064 3.887 4.258 . 0 0 "[ . 1 . 2]" 1
294 1 21 CYS H 1 21 CYS HB2 3.640 . 3.640 2.508 2.359 2.633 . 0 0 "[ . 1 . 2]" 1
295 1 21 CYS H 1 21 CYS HB3 3.510 . 3.510 2.252 2.140 2.349 . 0 0 "[ . 1 . 2]" 1
296 1 21 CYS H 1 22 PRO HD2 4.970 . 4.970 5.038 4.846 5.130 0.160 14 0 "[ . 1 . 2]" 1
297 1 21 CYS H 1 22 PRO HD3 4.840 . 4.840 4.206 4.044 4.487 . 0 0 "[ . 1 . 2]" 1
298 1 21 CYS H 1 26 LYS H 4.420 . 4.420 3.676 3.251 4.044 . 0 0 "[ . 1 . 2]" 1
299 1 21 CYS H 1 33 MET ME 4.420 . 4.420 3.470 2.938 4.139 . 0 0 "[ . 1 . 2]" 1
300 1 21 CYS H 1 44 HIS HE1 4.480 . 4.480 3.132 2.760 3.408 . 0 0 "[ . 1 . 2]" 1
301 1 21 CYS HA 1 22 PRO HD2 3.780 . 3.780 2.403 2.175 2.549 . 0 0 "[ . 1 . 2]" 1
302 1 21 CYS HA 1 33 MET ME 4.440 . 4.440 3.668 3.274 4.317 . 0 0 "[ . 1 . 2]" 1
303 1 21 CYS HA 1 43 TYR HA 4.290 . 4.290 2.750 2.430 3.198 . 0 0 "[ . 1 . 2]" 1
304 1 21 CYS HB2 1 23 GLY H 4.830 . 4.830 4.433 4.230 4.717 . 0 0 "[ . 1 . 2]" 1
305 1 21 CYS HB2 1 24 CYS H 4.890 . 4.890 4.770 4.578 4.927 0.037 10 0 "[ . 1 . 2]" 1
306 1 21 CYS HB2 1 25 ASN H 5.500 . 5.500 5.266 5.020 5.522 0.022 13 0 "[ . 1 . 2]" 1
307 1 21 CYS HB2 1 26 LYS H 4.920 . 4.920 4.823 4.232 4.932 0.012 8 0 "[ . 1 . 2]" 1
308 1 21 CYS HB2 1 33 MET ME 3.610 . 3.610 2.577 2.132 3.038 . 0 0 "[ . 1 . 2]" 1
309 1 21 CYS HB2 1 43 TYR HA 4.540 . 4.540 2.601 2.360 2.930 . 0 0 "[ . 1 . 2]" 1
310 1 21 CYS HB2 1 44 HIS H 3.970 . 3.970 2.753 2.519 3.231 . 0 0 "[ . 1 . 2]" 1
311 1 21 CYS HB2 1 44 HIS HE1 3.640 . 3.640 3.255 3.018 3.481 . 0 0 "[ . 1 . 2]" 1
312 1 21 CYS HB3 1 24 CYS H 4.040 . 4.040 3.356 3.155 3.578 . 0 0 "[ . 1 . 2]" 1
313 1 21 CYS HB3 1 25 ASN H 4.200 . 4.200 3.681 3.420 3.993 . 0 0 "[ . 1 . 2]" 1
314 1 21 CYS HB3 1 26 LYS H 3.800 . 3.800 3.158 2.607 3.293 . 0 0 "[ . 1 . 2]" 1
315 1 21 CYS HB3 1 33 MET ME 4.180 . 4.180 3.880 3.385 4.213 0.033 13 0 "[ . 1 . 2]" 1
316 1 21 CYS HB3 1 43 TYR HA 4.680 . 4.680 3.986 3.764 4.298 . 0 0 "[ . 1 . 2]" 1
317 1 21 CYS HB3 1 44 HIS H 4.740 . 4.740 3.717 3.529 4.048 . 0 0 "[ . 1 . 2]" 1
318 1 21 CYS HB3 1 44 HIS HE1 3.650 . 3.650 2.792 2.569 2.935 . 0 0 "[ . 1 . 2]" 1
319 1 21 CYS SG 1 24 CYS SG 4.000 4.000 4.000 3.713 3.662 3.793 0.338 12 0 "[ . 1 . 2]" 1
320 1 21 CYS SG 1 44 HIS ND1 3.800 3.800 3.800 3.585 3.520 3.619 0.280 18 0 "[ . 1 . 2]" 1
321 1 21 CYS SG 1 47 CYS SG 4.000 4.000 4.000 3.776 3.706 3.852 0.294 18 0 "[ . 1 . 2]" 1
322 1 22 PRO HA 1 24 CYS H 4.400 . 4.400 4.180 3.759 4.422 0.022 18 0 "[ . 1 . 2]" 1
323 1 22 PRO HA 1 25 ASN H 4.230 . 4.230 3.464 3.045 3.801 . 0 0 "[ . 1 . 2]" 1
324 1 22 PRO QB 1 23 GLY H 3.890 . 3.890 3.381 3.008 3.818 . 0 0 "[ . 1 . 2]" 1
325 1 22 PRO QB 1 64 LYS HG3 5.070 . 5.070 3.199 2.423 4.396 . 0 0 "[ . 1 . 2]" 1
326 1 22 PRO HB2 1 23 GLY H 4.590 . 4.590 3.515 3.077 4.100 . 0 0 "[ . 1 . 2]" 1
327 1 22 PRO HB3 1 23 GLY H 4.590 . 4.590 4.444 4.248 4.581 . 0 0 "[ . 1 . 2]" 1
328 1 22 PRO HD2 1 23 GLY H 4.070 . 4.070 3.011 2.737 3.227 . 0 0 "[ . 1 . 2]" 1
329 1 22 PRO HD2 1 64 LYS HG3 5.000 . 5.000 4.948 4.411 5.121 0.121 14 0 "[ . 1 . 2]" 1
330 1 22 PRO HD3 1 23 GLY H 4.160 . 4.160 3.992 3.807 4.071 . 0 0 "[ . 1 . 2]" 1
331 1 22 PRO QG 1 23 GLY H 4.570 . 4.570 4.083 3.426 4.368 . 0 0 "[ . 1 . 2]" 1
332 1 23 GLY H 1 24 CYS H 3.220 . 3.220 2.461 2.223 2.646 . 0 0 "[ . 1 . 2]" 1
333 1 23 GLY H 1 24 CYS HA 5.470 . 5.470 5.127 4.933 5.287 . 0 0 "[ . 1 . 2]" 1
334 1 23 GLY HA3 1 24 CYS HA 4.760 . 4.760 4.442 4.333 4.572 . 0 0 "[ . 1 . 2]" 1
335 1 23 GLY HA3 1 47 CYS HB3 4.790 . 4.790 3.210 2.515 3.702 . 0 0 "[ . 1 . 2]" 1
336 1 24 CYS H 1 24 CYS HB2 4.070 . 4.070 3.583 3.451 3.712 . 0 0 "[ . 1 . 2]" 1
337 1 24 CYS H 1 24 CYS HB3 3.790 . 3.790 2.999 2.872 3.246 . 0 0 "[ . 1 . 2]" 1
338 1 24 CYS H 1 25 ASN H 2.930 . 2.930 1.843 1.708 1.958 . 0 0 "[ . 1 . 2]" 1
339 1 24 CYS H 1 25 ASN HA 4.190 . 4.190 3.975 3.772 4.155 . 0 0 "[ . 1 . 2]" 1
340 1 24 CYS H 1 26 LYS H 4.110 . 4.110 3.364 3.244 3.598 . 0 0 "[ . 1 . 2]" 1
341 1 24 CYS H 1 26 LYS QD 5.500 . 5.500 5.426 5.049 5.542 0.042 15 0 "[ . 1 . 2]" 1
342 1 24 CYS HB2 1 25 ASN H 4.450 . 4.450 3.810 3.616 4.003 . 0 0 "[ . 1 . 2]" 1
343 1 24 CYS HB2 1 26 LYS H 4.640 . 4.640 3.409 3.151 4.221 . 0 0 "[ . 1 . 2]" 1
344 1 24 CYS HB2 1 26 LYS QD 4.580 . 4.580 2.680 2.217 3.052 . 0 0 "[ . 1 . 2]" 1
345 1 24 CYS HB2 1 26 LYS HG3 4.750 . 4.750 2.512 2.240 2.964 . 0 0 "[ . 1 . 2]" 1
346 1 24 CYS SG 1 44 HIS ND1 3.800 3.800 3.800 3.599 3.515 3.798 0.285 13 0 "[ . 1 . 2]" 1
347 1 24 CYS SG 1 47 CYS SG 4.000 4.000 4.000 3.772 3.675 3.993 0.325 8 0 "[ . 1 . 2]" 1
348 1 25 ASN H 1 25 ASN HA 2.860 . 2.860 2.193 2.101 2.237 . 0 0 "[ . 1 . 2]" 1
349 1 25 ASN H 1 25 ASN QB 3.690 . 3.690 3.251 3.067 3.477 . 0 0 "[ . 1 . 2]" 1
350 1 25 ASN H 1 26 LYS H 3.300 . 3.300 2.349 2.159 2.633 . 0 0 "[ . 1 . 2]" 1
351 1 25 ASN HA 1 26 LYS H 3.510 . 3.510 2.861 2.382 3.010 . 0 0 "[ . 1 . 2]" 1
352 1 25 ASN HB2 1 26 LYS H 4.670 . 4.670 4.384 4.035 4.624 . 0 0 "[ . 1 . 2]" 1
353 1 25 ASN HB3 1 26 LYS H 4.670 . 4.670 4.314 4.050 4.644 . 0 0 "[ . 1 . 2]" 1
354 1 26 LYS H 1 26 LYS HB2 3.390 . 3.390 2.511 2.366 2.616 . 0 0 "[ . 1 . 2]" 1
355 1 26 LYS H 1 26 LYS HB3 4.040 . 4.040 3.660 3.576 3.732 . 0 0 "[ . 1 . 2]" 1
356 1 26 LYS H 1 26 LYS QD 4.300 . 4.300 3.987 3.821 4.322 0.022 17 0 "[ . 1 . 2]" 1
357 1 26 LYS H 1 26 LYS HG2 4.470 . 4.470 3.957 3.765 4.204 . 0 0 "[ . 1 . 2]" 1
358 1 26 LYS H 1 26 LYS HG3 3.710 . 3.710 2.792 2.554 3.180 . 0 0 "[ . 1 . 2]" 1
359 1 26 LYS H 1 27 PRO HD2 4.850 . 4.850 4.816 4.763 4.861 0.011 7 0 "[ . 1 . 2]" 1
360 1 26 LYS H 1 27 PRO HD3 4.800 . 4.800 4.787 4.718 4.818 0.018 3 0 "[ . 1 . 2]" 1
361 1 26 LYS H 1 44 HIS HE1 4.120 . 4.120 3.797 3.306 4.142 0.022 15 0 "[ . 1 . 2]" 1
362 1 26 LYS HA 1 27 PRO HB3 4.940 . 4.940 4.946 4.888 4.991 0.051 1 0 "[ . 1 . 2]" 1
363 1 26 LYS HA 1 27 PRO HD2 3.340 . 3.340 2.139 2.080 2.227 . 0 0 "[ . 1 . 2]" 1
364 1 26 LYS HA 1 27 PRO HD3 3.320 . 3.320 2.249 2.184 2.302 . 0 0 "[ . 1 . 2]" 1
365 1 26 LYS HA 1 27 PRO HG2 4.640 . 4.640 4.322 4.259 4.372 . 0 0 "[ . 1 . 2]" 1
366 1 26 LYS HA 1 27 PRO HG3 4.640 . 4.640 4.358 4.326 4.401 . 0 0 "[ . 1 . 2]" 1
367 1 26 LYS HB2 1 26 LYS QE 4.210 . 4.210 3.584 2.493 4.169 . 0 0 "[ . 1 . 2]" 1
368 1 26 LYS HB2 1 27 PRO HD2 4.060 . 4.060 4.001 3.932 4.083 0.023 1 0 "[ . 1 . 2]" 1
369 1 26 LYS HB2 1 27 PRO HD3 5.120 . 5.120 4.866 4.802 4.924 . 0 0 "[ . 1 . 2]" 1
370 1 26 LYS HB2 1 44 HIS HE1 3.790 . 3.790 2.564 2.077 3.274 . 0 0 "[ . 1 . 2]" 1
371 1 26 LYS HB3 1 26 LYS QE 4.470 . 4.470 3.384 1.983 4.082 . 0 0 "[ . 1 . 2]" 1
372 1 26 LYS HB3 1 27 PRO HD2 3.430 . 3.430 2.553 2.493 2.639 . 0 0 "[ . 1 . 2]" 1
373 1 26 LYS HB3 1 27 PRO HD3 3.840 . 3.840 3.869 3.850 3.888 0.048 6 0 "[ . 1 . 2]" 1
374 1 26 LYS HB3 1 44 HIS HE1 4.700 . 4.700 3.311 2.773 3.974 . 0 0 "[ . 1 . 2]" 1
375 1 26 LYS QD 1 27 PRO HD2 5.050 . 5.050 4.629 4.309 5.070 0.020 14 0 "[ . 1 . 2]" 1
376 1 26 LYS QE 1 26 LYS HG2 3.870 . 3.870 2.594 2.380 3.050 . 0 0 "[ . 1 . 2]" 1
377 1 26 LYS QE 1 26 LYS HG3 3.770 . 3.770 2.921 2.327 3.538 . 0 0 "[ . 1 . 2]" 1
378 1 26 LYS HG2 1 27 PRO HD2 4.600 . 4.600 3.496 3.136 3.657 . 0 0 "[ . 1 . 2]" 1
379 1 26 LYS HG2 1 27 PRO HD3 4.570 . 4.570 4.503 4.299 4.607 0.037 2 0 "[ . 1 . 2]" 1
380 1 26 LYS HG3 1 27 PRO HD2 4.610 . 4.610 4.598 4.347 4.661 0.051 12 0 "[ . 1 . 2]" 1
381 1 27 PRO HA 1 28 ASP H 3.320 . 3.320 2.325 2.162 2.505 . 0 0 "[ . 1 . 2]" 1
382 1 27 PRO HB2 1 28 ASP H 3.960 . 3.960 2.669 2.462 3.108 . 0 0 "[ . 1 . 2]" 1
383 1 27 PRO HB3 1 28 ASP H 3.700 . 3.700 3.459 3.302 3.703 0.003 4 0 "[ . 1 . 2]" 1
384 1 27 PRO QG 1 28 ASP H 4.540 . 4.540 4.213 4.046 4.473 . 0 0 "[ . 1 . 2]" 1
385 1 28 ASP H 1 28 ASP QB 3.100 . 3.100 2.298 2.201 2.557 . 0 0 "[ . 1 . 2]" 1
386 1 28 ASP H 1 29 ASP H 4.710 . 4.710 4.461 4.210 4.575 . 0 0 "[ . 1 . 2]" 1
387 1 28 ASP H 1 33 MET ME 4.790 . 4.790 3.903 3.346 4.283 . 0 0 "[ . 1 . 2]" 1
388 1 28 ASP HA 1 29 ASP H 3.110 . 3.110 2.101 1.990 2.220 . 0 0 "[ . 1 . 2]" 1
389 1 28 ASP HA 1 30 GLY H 3.960 . 3.960 3.523 3.086 3.890 . 0 0 "[ . 1 . 2]" 1
390 1 28 ASP HA 1 33 MET ME 3.970 . 3.970 3.658 3.156 4.005 0.035 2 0 "[ . 1 . 2]" 1
391 1 28 ASP HA 1 44 HIS HD2 5.000 . 5.000 3.680 2.938 4.211 . 0 0 "[ . 1 . 2]" 1
392 1 28 ASP HA 1 44 HIS HE1 5.330 . 5.330 3.996 3.275 4.929 . 0 0 "[ . 1 . 2]" 1
393 1 28 ASP QB 1 29 ASP H 4.270 . 4.270 3.591 2.894 3.864 . 0 0 "[ . 1 . 2]" 1
394 1 28 ASP QB 1 30 GLY H 4.430 . 4.430 3.635 3.069 4.047 . 0 0 "[ . 1 . 2]" 1
395 1 28 ASP QB 1 33 MET ME 4.100 . 4.100 3.207 2.159 4.229 0.129 10 0 "[ . 1 . 2]" 1
396 1 29 ASP H 1 30 GLY H 2.990 . 2.990 2.255 1.776 2.645 . 0 0 "[ . 1 . 2]" 1
397 1 29 ASP H 1 30 GLY QA 4.950 . 4.950 4.114 3.877 4.329 . 0 0 "[ . 1 . 2]" 1
398 1 29 ASP H 1 31 SER H 3.890 . 3.890 3.075 2.605 3.854 . 0 0 "[ . 1 . 2]" 1
399 1 29 ASP H 1 33 MET ME 5.360 . 5.360 5.117 4.499 5.413 0.053 19 0 "[ . 1 . 2]" 1
400 1 29 ASP H 1 44 HIS HD2 4.450 . 4.450 4.055 2.772 4.514 0.064 8 0 "[ . 1 . 2]" 1
401 1 29 ASP H 1 44 HIS HE2 4.660 . 4.660 2.953 2.175 3.685 . 0 0 "[ . 1 . 2]" 1
402 1 30 GLY H 1 31 SER H 3.200 . 3.200 2.190 1.837 2.434 . 0 0 "[ . 1 . 2]" 1
403 1 31 SER H 1 31 SER HB2 3.660 . 3.660 3.052 2.407 3.647 . 0 0 "[ . 1 . 2]" 1
404 1 31 SER H 1 31 SER QB 3.120 . 3.120 2.691 2.307 3.020 . 0 0 "[ . 1 . 2]" 1
405 1 31 SER H 1 31 SER HB3 3.660 . 3.660 3.312 2.522 3.731 0.071 1 0 "[ . 1 . 2]" 1
406 1 31 SER H 1 32 PRO HD2 5.190 . 5.190 5.128 4.802 5.223 0.033 5 0 "[ . 1 . 2]" 1
407 1 31 SER H 1 32 PRO QD 4.470 . 4.470 4.371 4.300 4.450 . 0 0 "[ . 1 . 2]" 1
408 1 31 SER H 1 32 PRO HD3 5.190 . 5.190 4.752 4.577 5.035 . 0 0 "[ . 1 . 2]" 1
409 1 31 SER H 1 44 HIS HD2 5.500 . 5.500 4.247 3.796 4.829 . 0 0 "[ . 1 . 2]" 1
410 1 31 SER HA 1 32 PRO HD2 3.580 . 3.580 2.961 2.461 3.256 . 0 0 "[ . 1 . 2]" 1
411 1 31 SER HA 1 32 PRO QD 2.980 . 2.980 2.042 1.933 2.270 . 0 0 "[ . 1 . 2]" 1
412 1 31 SER HA 1 32 PRO HD3 3.580 . 3.580 2.096 1.952 2.425 . 0 0 "[ . 1 . 2]" 1
413 1 31 SER HA 1 32 PRO QG 4.600 . 4.600 3.901 3.742 4.208 . 0 0 "[ . 1 . 2]" 1
414 1 31 SER QB 1 32 PRO QD 3.020 . 3.020 2.320 1.954 3.059 0.039 13 0 "[ . 1 . 2]" 1
415 1 31 SER QB 1 32 PRO QG 4.730 . 4.730 4.116 3.621 4.775 0.045 13 0 "[ . 1 . 2]" 1
416 1 31 SER QB 1 44 HIS HD2 5.170 . 5.170 2.635 2.033 4.128 . 0 0 "[ . 1 . 2]" 1
417 1 31 SER HB2 1 32 PRO HD2 4.050 . 4.050 3.108 1.989 4.066 0.016 13 0 "[ . 1 . 2]" 1
418 1 31 SER HB2 1 32 PRO HD3 4.050 . 4.050 3.750 2.933 4.107 0.057 5 0 "[ . 1 . 2]" 1
419 1 31 SER HB3 1 32 PRO HD2 4.050 . 4.050 3.026 2.232 3.873 . 0 0 "[ . 1 . 2]" 1
420 1 31 SER HB3 1 32 PRO HD3 4.050 . 4.050 3.451 2.733 4.080 0.030 11 0 "[ . 1 . 2]" 1
421 1 32 PRO HA 1 33 MET H 2.910 . 2.910 2.148 2.088 2.217 . 0 0 "[ . 1 . 2]" 1
422 1 32 PRO HB2 1 33 MET H 4.110 . 4.110 3.799 3.588 4.081 . 0 0 "[ . 1 . 2]" 1
423 1 32 PRO HB2 1 45 TRP HE1 4.400 . 4.400 4.132 3.408 4.448 0.048 20 0 "[ . 1 . 2]" 1
424 1 32 PRO HB2 1 45 TRP HZ2 4.640 . 4.640 4.461 3.858 4.682 0.042 8 0 "[ . 1 . 2]" 1
425 1 32 PRO HB3 1 33 MET H 4.400 . 4.400 3.767 3.397 4.255 . 0 0 "[ . 1 . 2]" 1
426 1 33 MET H 1 33 MET QB 3.630 . 3.630 2.635 2.529 2.697 . 0 0 "[ . 1 . 2]" 1
427 1 33 MET H 1 33 MET HG2 4.470 . 4.470 3.862 3.684 4.109 . 0 0 "[ . 1 . 2]" 1
428 1 33 MET H 1 33 MET QG 3.830 . 3.830 2.834 2.685 3.017 . 0 0 "[ . 1 . 2]" 1
429 1 33 MET H 1 33 MET HG3 4.470 . 4.470 2.916 2.752 3.113 . 0 0 "[ . 1 . 2]" 1
430 1 33 MET H 1 34 ILE H 4.760 . 4.760 4.389 4.329 4.445 . 0 0 "[ . 1 . 2]" 1
431 1 33 MET H 1 42 TRP HE3 4.790 . 4.790 4.392 3.897 4.831 0.041 11 0 "[ . 1 . 2]" 1
432 1 33 MET HA 1 33 MET ME 4.430 . 4.430 3.826 3.623 4.139 . 0 0 "[ . 1 . 2]" 1
433 1 33 MET HA 1 33 MET QG 3.700 . 3.700 2.452 2.392 2.533 . 0 0 "[ . 1 . 2]" 1
434 1 33 MET HA 1 34 ILE H 3.210 . 3.210 2.292 2.135 2.440 . 0 0 "[ . 1 . 2]" 1
435 1 33 MET HA 1 34 ILE MG 4.050 . 4.050 3.478 3.385 3.586 . 0 0 "[ . 1 . 2]" 1
436 1 33 MET HA 1 44 HIS HA 4.030 . 4.030 2.333 2.075 2.661 . 0 0 "[ . 1 . 2]" 1
437 1 33 MET HA 1 45 TRP H 3.900 . 3.900 2.789 2.486 3.179 . 0 0 "[ . 1 . 2]" 1
438 1 33 MET HA 1 45 TRP HD1 4.200 . 4.200 3.027 2.740 3.419 . 0 0 "[ . 1 . 2]" 1
439 1 33 MET HA 1 45 TRP HE1 4.700 . 4.700 4.305 4.008 4.717 0.017 3 0 "[ . 1 . 2]" 1
440 1 33 MET QB 1 33 MET ME 3.480 . 3.480 2.157 2.082 2.400 . 0 0 "[ . 1 . 2]" 1
441 1 33 MET QB 1 34 ILE H 3.360 . 3.360 2.521 2.315 2.762 . 0 0 "[ . 1 . 2]" 1
442 1 33 MET QB 1 34 ILE HA 4.730 . 4.730 4.097 3.957 4.236 . 0 0 "[ . 1 . 2]" 1
443 1 33 MET QB 1 42 TRP HZ3 4.480 . 4.480 3.599 3.266 3.983 . 0 0 "[ . 1 . 2]" 1
444 1 33 MET QB 1 43 TYR H 4.120 . 4.120 3.375 3.067 3.711 . 0 0 "[ . 1 . 2]" 1
445 1 33 MET HB2 1 33 MET ME 4.120 . 4.120 3.287 3.097 3.455 . 0 0 "[ . 1 . 2]" 1
446 1 33 MET HB2 1 34 ILE H 3.940 . 3.940 3.649 3.371 3.851 . 0 0 "[ . 1 . 2]" 1
447 1 33 MET HB2 1 42 TRP HE3 3.850 . 3.850 2.498 2.097 2.807 . 0 0 "[ . 1 . 2]" 1
448 1 33 MET HB3 1 33 MET ME 4.120 . 4.120 2.188 2.105 2.462 . 0 0 "[ . 1 . 2]" 1
449 1 33 MET HB3 1 34 ILE H 3.940 . 3.940 2.571 2.354 2.831 . 0 0 "[ . 1 . 2]" 1
450 1 33 MET HB3 1 42 TRP HE3 3.850 . 3.850 2.600 2.393 2.906 . 0 0 "[ . 1 . 2]" 1
451 1 33 MET ME 1 33 MET HG2 3.930 . 3.930 2.424 2.353 2.509 . 0 0 "[ . 1 . 2]" 1
452 1 33 MET ME 1 33 MET QG 3.390 . 3.390 2.375 2.310 2.450 . 0 0 "[ . 1 . 2]" 1
453 1 33 MET ME 1 33 MET HG3 3.930 . 3.930 3.398 3.363 3.425 . 0 0 "[ . 1 . 2]" 1
454 1 33 MET ME 1 34 ILE H 4.510 . 4.510 3.983 3.712 4.522 0.012 10 0 "[ . 1 . 2]" 1
455 1 33 MET ME 1 42 TRP HA 4.870 . 4.870 3.875 3.644 4.171 . 0 0 "[ . 1 . 2]" 1
456 1 33 MET ME 1 42 TRP HB2 4.160 . 4.160 2.732 2.405 3.177 . 0 0 "[ . 1 . 2]" 1
457 1 33 MET ME 1 42 TRP HB3 3.910 . 3.910 2.209 1.993 2.551 . 0 0 "[ . 1 . 2]" 1
458 1 33 MET ME 1 42 TRP HE3 4.450 . 4.450 3.889 3.372 4.388 . 0 0 "[ . 1 . 2]" 1
459 1 33 MET ME 1 43 TYR H 4.270 . 4.270 3.445 3.231 3.735 . 0 0 "[ . 1 . 2]" 1
460 1 33 MET ME 1 43 TYR HA 4.220 . 4.220 3.026 2.792 3.346 . 0 0 "[ . 1 . 2]" 1
461 1 33 MET ME 1 43 TYR HB2 5.230 . 5.230 4.887 4.620 5.216 . 0 0 "[ . 1 . 2]" 1
462 1 33 MET ME 1 44 HIS H 3.990 . 3.990 3.463 2.852 4.017 0.027 1 0 "[ . 1 . 2]" 1
463 1 33 MET ME 1 44 HIS HA 4.630 . 4.630 3.318 2.739 3.749 . 0 0 "[ . 1 . 2]" 1
464 1 33 MET ME 1 44 HIS HD2 4.460 . 4.460 3.178 2.610 3.748 . 0 0 "[ . 1 . 2]" 1
465 1 33 MET ME 1 44 HIS HE1 4.630 . 4.630 3.721 3.288 4.222 . 0 0 "[ . 1 . 2]" 1
466 1 33 MET QG 1 34 ILE H 4.140 . 4.140 3.952 3.843 4.047 . 0 0 "[ . 1 . 2]" 1
467 1 33 MET QG 1 44 HIS HA 4.010 . 4.010 2.432 2.028 2.905 . 0 0 "[ . 1 . 2]" 1
468 1 33 MET QG 1 44 HIS HD2 3.800 . 3.800 2.272 1.951 3.201 . 0 0 "[ . 1 . 2]" 1
469 1 33 MET QG 1 45 TRP H 4.640 . 4.640 3.854 3.251 4.330 . 0 0 "[ . 1 . 2]" 1
470 1 33 MET HG2 1 44 HIS HA 4.780 . 4.780 2.454 2.036 2.944 . 0 0 "[ . 1 . 2]" 1
471 1 33 MET HG2 1 44 HIS HD2 4.430 . 4.430 2.320 1.971 3.282 . 0 0 "[ . 1 . 2]" 1
472 1 33 MET HG3 1 44 HIS HA 4.780 . 4.780 3.997 3.474 4.460 . 0 0 "[ . 1 . 2]" 1
473 1 33 MET HG3 1 44 HIS HD2 4.430 . 4.430 3.309 2.654 4.444 0.014 16 0 "[ . 1 . 2]" 1
474 1 34 ILE H 1 34 ILE HB 4.000 . 4.000 3.177 3.007 3.301 . 0 0 "[ . 1 . 2]" 1
475 1 34 ILE H 1 34 ILE MD 4.820 . 4.820 4.718 4.604 4.821 0.001 14 0 "[ . 1 . 2]" 1
476 1 34 ILE H 1 34 ILE QG 4.600 . 4.600 4.051 4.002 4.085 . 0 0 "[ . 1 . 2]" 1
477 1 34 ILE H 1 34 ILE MG 3.120 . 3.120 2.193 2.052 2.329 . 0 0 "[ . 1 . 2]" 1
478 1 34 ILE H 1 35 GLY H 4.820 . 4.820 4.369 4.275 4.482 . 0 0 "[ . 1 . 2]" 1
479 1 34 ILE H 1 42 TRP HA 5.080 . 5.080 4.294 3.867 4.601 . 0 0 "[ . 1 . 2]" 1
480 1 34 ILE H 1 42 TRP HE3 4.470 . 4.470 3.238 2.996 3.622 . 0 0 "[ . 1 . 2]" 1
481 1 34 ILE H 1 42 TRP HZ3 4.700 . 4.700 4.614 4.437 4.727 0.027 20 0 "[ . 1 . 2]" 1
482 1 34 ILE H 1 43 TYR H 3.760 . 3.760 2.845 2.656 3.005 . 0 0 "[ . 1 . 2]" 1
483 1 34 ILE H 1 43 TYR HB2 4.550 . 4.550 3.819 3.577 4.228 . 0 0 "[ . 1 . 2]" 1
484 1 34 ILE H 1 45 TRP H 4.920 . 4.920 4.255 3.993 4.502 . 0 0 "[ . 1 . 2]" 1
485 1 34 ILE H 1 45 TRP HD1 4.120 . 4.120 3.196 2.812 3.552 . 0 0 "[ . 1 . 2]" 1
486 1 34 ILE H 1 45 TRP HE1 5.320 . 5.320 4.213 3.778 4.619 . 0 0 "[ . 1 . 2]" 1
487 1 34 ILE HA 1 34 ILE MD 4.110 . 4.110 3.771 3.708 3.802 . 0 0 "[ . 1 . 2]" 1
488 1 34 ILE HA 1 34 ILE HG12 3.710 . 3.710 3.216 3.177 3.279 . 0 0 "[ . 1 . 2]" 1
489 1 34 ILE HA 1 34 ILE QG 3.090 . 3.090 2.390 2.359 2.415 . 0 0 "[ . 1 . 2]" 1
490 1 34 ILE HA 1 34 ILE HG13 3.710 . 3.710 2.464 2.424 2.491 . 0 0 "[ . 1 . 2]" 1
491 1 34 ILE HA 1 35 GLY H 3.250 . 3.250 2.265 2.124 2.371 . 0 0 "[ . 1 . 2]" 1
492 1 34 ILE HA 1 35 GLY HA3 4.770 . 4.770 4.342 4.274 4.386 . 0 0 "[ . 1 . 2]" 1
493 1 34 ILE HA 1 42 TRP HE3 4.500 . 4.500 3.285 2.903 3.831 . 0 0 "[ . 1 . 2]" 1
494 1 34 ILE HA 1 42 TRP HZ3 4.140 . 4.140 2.957 2.753 3.220 . 0 0 "[ . 1 . 2]" 1
495 1 34 ILE HA 1 45 TRP HD1 4.730 . 4.730 4.249 4.016 4.455 . 0 0 "[ . 1 . 2]" 1
496 1 34 ILE HA 1 45 TRP HE1 4.640 . 4.640 3.340 2.746 3.918 . 0 0 "[ . 1 . 2]" 1
497 1 34 ILE HB 1 34 ILE MD 3.100 . 3.100 2.375 2.334 2.417 . 0 0 "[ . 1 . 2]" 1
498 1 34 ILE HB 1 45 TRP HD1 3.000 . 3.000 2.480 2.255 2.739 . 0 0 "[ . 1 . 2]" 1
499 1 34 ILE HB 1 45 TRP HE1 3.450 . 3.450 2.093 1.675 2.515 . 0 0 "[ . 1 . 2]" 1
500 1 34 ILE HB 1 50 ILE MD 3.970 . 3.970 3.681 3.145 4.036 0.066 9 0 "[ . 1 . 2]" 1
501 1 34 ILE HB 1 60 TRP HZ2 5.500 . 5.500 5.554 5.514 5.590 0.090 15 0 "[ . 1 . 2]" 1
502 1 34 ILE MD 1 34 ILE MG 3.150 . 3.150 2.008 1.971 2.059 . 0 0 "[ . 1 . 2]" 1
503 1 34 ILE MD 1 35 GLY H 4.590 . 4.590 4.049 3.818 4.217 . 0 0 "[ . 1 . 2]" 1
504 1 34 ILE MD 1 45 TRP HD1 4.520 . 4.520 4.002 3.719 4.266 . 0 0 "[ . 1 . 2]" 1
505 1 34 ILE MD 1 45 TRP HE1 4.190 . 4.190 3.411 2.986 3.680 . 0 0 "[ . 1 . 2]" 1
506 1 34 ILE MD 1 48 VAL MG2 4.430 . 4.430 3.375 3.154 3.596 . 0 0 "[ . 1 . 2]" 1
507 1 34 ILE MD 1 50 ILE MD 3.490 . 3.490 2.104 1.956 2.312 . 0 0 "[ . 1 . 2]" 1
508 1 34 ILE MD 1 50 ILE HG12 4.470 . 4.470 3.941 3.410 4.414 . 0 0 "[ . 1 . 2]" 1
509 1 34 ILE MD 1 50 ILE HG13 4.470 . 4.470 3.349 2.290 4.469 . 0 0 "[ . 1 . 2]" 1
510 1 34 ILE MD 1 54 PRO HD2 4.520 . 4.520 2.925 2.298 3.784 . 0 0 "[ . 1 . 2]" 1
511 1 34 ILE MD 1 54 PRO HD3 4.550 . 4.550 3.420 3.140 3.851 . 0 0 "[ . 1 . 2]" 1
512 1 34 ILE MD 1 54 PRO HG2 4.440 . 4.440 2.817 2.152 3.618 . 0 0 "[ . 1 . 2]" 1
513 1 34 ILE MD 1 54 PRO QG 3.740 . 3.740 2.377 1.963 3.453 . 0 0 "[ . 1 . 2]" 1
514 1 34 ILE MD 1 54 PRO HG3 4.440 . 4.440 2.691 1.986 4.364 . 0 0 "[ . 1 . 2]" 1
515 1 34 ILE MD 1 60 TRP HB2 3.880 . 3.880 3.468 3.144 3.659 . 0 0 "[ . 1 . 2]" 1
516 1 34 ILE MD 1 60 TRP HB3 4.030 . 4.030 3.259 3.003 3.527 . 0 0 "[ . 1 . 2]" 1
517 1 34 ILE MD 1 60 TRP HD1 3.970 . 3.970 3.590 3.446 3.791 . 0 0 "[ . 1 . 2]" 1
518 1 34 ILE MD 1 60 TRP HE1 4.480 . 4.480 3.319 3.100 3.524 . 0 0 "[ . 1 . 2]" 1
519 1 34 ILE QG 1 34 ILE MG 3.200 . 3.200 2.355 2.328 2.391 . 0 0 "[ . 1 . 2]" 1
520 1 34 ILE QG 1 35 GLY H 3.470 . 3.470 2.376 2.164 2.554 . 0 0 "[ . 1 . 2]" 1
521 1 34 ILE QG 1 50 ILE MD 4.940 . 4.940 3.873 3.609 4.161 . 0 0 "[ . 1 . 2]" 1
522 1 34 ILE QG 1 60 TRP HB3 4.490 . 4.490 4.004 3.660 4.302 . 0 0 "[ . 1 . 2]" 1
523 1 34 ILE QG 1 60 TRP HE3 3.870 . 3.870 3.275 3.006 3.653 . 0 0 "[ . 1 . 2]" 1
524 1 34 ILE HG12 1 34 ILE MG 3.690 . 3.690 2.419 2.389 2.460 . 0 0 "[ . 1 . 2]" 1
525 1 34 ILE HG12 1 35 GLY H 4.070 . 4.070 2.764 2.473 3.114 . 0 0 "[ . 1 . 2]" 1
526 1 34 ILE HG13 1 34 ILE MG 3.690 . 3.690 3.238 3.219 3.256 . 0 0 "[ . 1 . 2]" 1
527 1 34 ILE HG13 1 35 GLY H 4.070 . 4.070 2.595 2.389 2.797 . 0 0 "[ . 1 . 2]" 1
528 1 34 ILE MG 1 35 GLY H 4.300 . 4.300 3.888 3.745 4.013 . 0 0 "[ . 1 . 2]" 1
529 1 34 ILE MG 1 35 GLY HA2 4.920 . 4.920 4.155 3.967 4.334 . 0 0 "[ . 1 . 2]" 1
530 1 34 ILE MG 1 43 TYR H 3.950 . 3.950 3.206 3.068 3.405 . 0 0 "[ . 1 . 2]" 1
531 1 34 ILE MG 1 43 TYR HB2 4.040 . 4.040 2.568 2.349 2.921 . 0 0 "[ . 1 . 2]" 1
532 1 34 ILE MG 1 43 TYR HB3 4.550 . 4.550 3.643 3.323 3.990 . 0 0 "[ . 1 . 2]" 1
533 1 34 ILE MG 1 45 TRP H 4.420 . 4.420 3.882 3.700 4.073 . 0 0 "[ . 1 . 2]" 1
534 1 34 ILE MG 1 45 TRP HA 4.120 . 4.120 3.020 2.909 3.173 . 0 0 "[ . 1 . 2]" 1
535 1 34 ILE MG 1 45 TRP HD1 3.000 . 3.000 2.264 2.113 2.480 . 0 0 "[ . 1 . 2]" 1
536 1 34 ILE MG 1 45 TRP HE1 4.740 . 4.740 3.560 3.200 3.854 . 0 0 "[ . 1 . 2]" 1
537 1 34 ILE MG 1 47 CYS H 5.280 . 5.280 5.369 5.308 5.422 0.142 11 0 "[ . 1 . 2]" 1
538 1 34 ILE MG 1 48 VAL HB 4.930 . 4.930 4.123 3.987 4.395 . 0 0 "[ . 1 . 2]" 1
539 1 34 ILE MG 1 48 VAL MG1 3.770 . 3.770 3.336 3.123 3.507 . 0 0 "[ . 1 . 2]" 1
540 1 34 ILE MG 1 48 VAL MG2 3.170 . 3.170 2.113 2.014 2.316 . 0 0 "[ . 1 . 2]" 1
541 1 34 ILE MG 1 50 ILE MD 3.600 . 3.600 2.547 1.949 3.164 . 0 0 "[ . 1 . 2]" 1
542 1 34 ILE MG 1 50 ILE QG 4.210 . 4.210 2.962 2.058 4.159 . 0 0 "[ . 1 . 2]" 1
543 1 34 ILE MG 1 60 TRP HE1 4.200 . 4.200 4.104 3.901 4.213 0.013 10 0 "[ . 1 . 2]" 1
544 1 34 ILE MG 1 60 TRP HE3 4.990 . 4.990 4.344 4.086 4.636 . 0 0 "[ . 1 . 2]" 1
545 1 34 ILE MG 1 60 TRP HH2 4.500 . 4.500 2.628 2.470 2.814 . 0 0 "[ . 1 . 2]" 1
546 1 34 ILE MG 1 60 TRP HZ2 4.340 . 4.340 2.905 2.818 2.969 . 0 0 "[ . 1 . 2]" 1
547 1 34 ILE MG 1 60 TRP HZ3 4.440 . 4.440 3.369 3.150 3.763 . 0 0 "[ . 1 . 2]" 1
548 1 35 GLY H 1 42 TRP HE3 4.250 . 4.250 3.912 3.407 4.303 0.053 11 0 "[ . 1 . 2]" 1
549 1 35 GLY HA2 1 42 TRP HA 3.820 . 3.820 2.370 2.004 2.929 . 0 0 "[ . 1 . 2]" 1
550 1 35 GLY HA2 1 43 TYR H 4.280 . 4.280 3.290 2.953 3.526 . 0 0 "[ . 1 . 2]" 1
551 1 35 GLY HA3 1 42 TRP HA 4.370 . 4.370 3.670 3.065 4.148 . 0 0 "[ . 1 . 2]" 1
552 1 36 CYS H 1 60 TRP HZ3 4.470 . 4.470 3.296 2.620 3.695 . 0 0 "[ . 1 . 2]" 1
553 1 36 CYS HA 1 37 ASP H 3.460 . 3.460 2.363 2.140 2.634 . 0 0 "[ . 1 . 2]" 1
554 1 36 CYS HA 1 60 TRP HE3 3.000 . 3.000 2.016 1.841 2.244 . 0 0 "[ . 1 . 2]" 1
555 1 36 CYS HA 1 60 TRP HZ3 4.170 . 4.170 2.526 2.103 2.999 . 0 0 "[ . 1 . 2]" 1
556 1 36 CYS HA 1 62 CYS H 4.360 . 4.360 3.699 2.874 4.298 . 0 0 "[ . 1 . 2]" 1
557 1 36 CYS HB2 1 41 ASP H 5.440 . 5.440 4.809 3.581 5.502 0.062 7 0 "[ . 1 . 2]" 1
558 1 36 CYS HB2 1 60 TRP HE3 4.730 . 4.730 4.043 3.778 4.419 . 0 0 "[ . 1 . 2]" 1
559 1 36 CYS HB2 1 60 TRP HZ3 4.220 . 4.220 2.891 2.510 4.164 . 0 0 "[ . 1 . 2]" 1
560 1 36 CYS HB2 1 62 CYS H 3.920 . 3.920 2.998 2.056 3.924 0.004 13 0 "[ . 1 . 2]" 1
561 1 36 CYS HB2 1 62 CYS HA 5.500 . 5.500 4.637 3.716 5.548 0.048 19 0 "[ . 1 . 2]" 1
562 1 36 CYS HB2 1 62 CYS HB3 4.000 . 4.000 2.713 2.074 4.040 0.040 19 0 "[ . 1 . 2]" 1
563 1 36 CYS HB3 1 39 CYS H 4.240 . 4.240 2.465 1.874 4.359 0.119 19 0 "[ . 1 . 2]" 1
564 1 36 CYS HB3 1 40 ASP H 4.690 . 4.690 4.258 2.019 4.849 0.159 7 0 "[ . 1 . 2]" 1
565 1 36 CYS HB3 1 41 ASP H 4.470 . 4.470 3.861 2.669 4.476 0.006 11 0 "[ . 1 . 2]" 1
566 1 36 CYS HB3 1 60 TRP HZ3 4.790 . 4.790 4.157 2.789 4.434 . 0 0 "[ . 1 . 2]" 1
567 1 36 CYS HB3 1 62 CYS HB3 5.190 . 5.190 4.222 2.452 5.115 . 0 0 "[ . 1 . 2]" 1
568 1 36 CYS SG 1 39 CYS SG 4.000 4.000 4.000 3.767 3.682 3.855 0.318 19 0 "[ . 1 . 2]" 1
569 1 36 CYS SG 1 62 CYS SG 4.000 4.000 4.000 3.771 3.693 3.842 0.307 10 0 "[ . 1 . 2]" 1
570 1 36 CYS SG 1 65 CYS SG 4.000 4.000 4.000 3.850 3.740 4.340 0.340 19 0 "[ . 1 . 2]" 1
571 1 37 ASP H 1 37 ASP QB 3.430 . 3.430 2.372 2.248 2.587 . 0 0 "[ . 1 . 2]" 1
572 1 37 ASP H 1 38 ASP H 4.610 . 4.610 2.113 1.776 2.664 . 0 0 "[ . 1 . 2]" 1
573 1 37 ASP H 1 60 TRP HE3 4.380 . 4.380 3.590 2.874 4.416 0.036 12 0 "[ . 1 . 2]" 1
574 1 37 ASP H 1 61 PHE HA 4.690 . 4.690 2.986 2.529 3.430 . 0 0 "[ . 1 . 2]" 1
575 1 37 ASP H 1 61 PHE QD 4.700 . 4.700 3.238 2.796 3.715 . 0 0 "[ . 1 . 2]" 1
576 1 37 ASP H 1 61 PHE QE 4.790 . 4.790 4.078 3.753 4.518 . 0 0 "[ . 1 . 2]" 1
577 1 37 ASP H 1 62 CYS H 4.570 . 4.570 4.271 3.835 4.583 0.013 19 0 "[ . 1 . 2]" 1
578 1 37 ASP QB 1 38 ASP H 4.450 . 4.450 2.973 2.372 3.324 . 0 0 "[ . 1 . 2]" 1
579 1 37 ASP QB 1 59 GLN QB 4.040 . 4.040 3.041 2.040 3.697 . 0 0 "[ . 1 . 2]" 1
580 1 37 ASP QB 1 59 GLN QE 5.180 . 5.180 3.587 1.797 5.066 . 0 0 "[ . 1 . 2]" 1
581 1 37 ASP QB 1 60 TRP H 3.750 . 3.750 2.769 1.918 3.751 0.001 7 0 "[ . 1 . 2]" 1
582 1 37 ASP QB 1 61 PHE QD 3.940 . 3.940 3.179 2.842 3.426 . 0 0 "[ . 1 . 2]" 1
583 1 37 ASP QB 1 61 PHE QE 3.490 . 3.490 2.439 2.174 2.648 . 0 0 "[ . 1 . 2]" 1
584 1 37 ASP QB 1 61 PHE HZ 4.020 . 4.020 3.528 3.041 4.020 0.000 9 0 "[ . 1 . 2]" 1
585 1 37 ASP HB2 1 61 PHE QE 4.220 . 4.220 4.001 2.793 4.257 0.037 19 0 "[ . 1 . 2]" 1
586 1 37 ASP HB3 1 61 PHE QE 4.220 . 4.220 2.486 2.187 3.205 . 0 0 "[ . 1 . 2]" 1
587 1 38 ASP H 1 39 CYS H 3.610 . 3.610 2.278 2.093 2.619 . 0 0 "[ . 1 . 2]" 1
588 1 38 ASP H 1 61 PHE QD 4.380 . 4.380 2.862 2.204 3.424 . 0 0 "[ . 1 . 2]" 1
589 1 38 ASP HA 1 61 PHE QE 4.550 . 4.550 3.760 3.229 4.530 . 0 0 "[ . 1 . 2]" 1
590 1 38 ASP HB2 1 39 CYS H 3.950 . 3.950 3.861 3.317 3.993 0.043 7 0 "[ . 1 . 2]" 1
591 1 38 ASP HB2 1 61 PHE QD 4.000 . 4.000 2.642 2.099 3.462 . 0 0 "[ . 1 . 2]" 1
592 1 38 ASP HB2 1 61 PHE QE 4.070 . 4.070 2.533 1.861 3.338 . 0 0 "[ . 1 . 2]" 1
593 1 38 ASP HB2 1 65 CYS HB3 4.800 . 4.800 3.711 3.001 4.923 0.123 19 0 "[ . 1 . 2]" 1
594 1 38 ASP HB3 1 39 CYS H 3.490 . 3.490 2.631 2.114 3.146 . 0 0 "[ . 1 . 2]" 1
595 1 38 ASP HB3 1 61 PHE QD 4.160 . 4.160 3.111 2.633 3.623 . 0 0 "[ . 1 . 2]" 1
596 1 38 ASP HB3 1 61 PHE QE 4.450 . 4.450 4.001 3.412 4.465 0.015 20 0 "[ . 1 . 2]" 1
597 1 38 ASP HB3 1 65 CYS HB2 4.790 . 4.790 3.686 3.021 4.850 0.060 19 0 "[ . 1 . 2]" 1
598 1 38 ASP HB3 1 65 CYS HB3 4.250 . 4.250 3.272 2.472 4.068 . 0 0 "[ . 1 . 2]" 1
599 1 39 CYS H 1 39 CYS QB 3.550 . 3.550 2.845 2.526 3.149 . 0 0 "[ . 1 . 2]" 1
600 1 39 CYS H 1 40 ASP H 4.620 . 4.620 3.972 2.214 4.527 . 0 0 "[ . 1 . 2]" 1
601 1 39 CYS H 1 61 PHE QD 5.500 . 5.500 4.514 3.456 4.985 . 0 0 "[ . 1 . 2]" 1
602 1 39 CYS HA 1 40 ASP H 3.400 . 3.400 2.794 2.200 3.489 0.089 19 0 "[ . 1 . 2]" 1
603 1 39 CYS QB 1 40 ASP H 3.240 . 3.240 2.197 1.679 2.971 . 0 0 "[ . 1 . 2]" 1
604 1 39 CYS QB 1 41 ASP H 5.340 . 5.340 3.105 1.987 5.033 . 0 0 "[ . 1 . 2]" 1
605 1 39 CYS HB2 1 40 ASP H 3.770 . 3.770 2.462 1.685 3.764 . 0 0 "[ . 1 . 2]" 1
606 1 39 CYS HB3 1 40 ASP H 3.770 . 3.770 3.189 1.815 3.790 0.020 10 0 "[ . 1 . 2]" 1
607 1 39 CYS SG 1 62 CYS SG 4.000 4.000 4.000 3.844 3.792 3.974 0.208 16 0 "[ . 1 . 2]" 1
608 1 39 CYS SG 1 65 CYS SG 4.000 4.000 4.000 3.740 3.651 3.794 0.349 19 0 "[ . 1 . 2]" 1
609 1 40 ASP H 1 40 ASP HB2 3.900 . 3.900 3.325 2.468 3.791 . 0 0 "[ . 1 . 2]" 1
610 1 40 ASP H 1 40 ASP QB 3.210 . 3.210 2.684 2.220 3.170 . 0 0 "[ . 1 . 2]" 1
611 1 40 ASP H 1 40 ASP HB3 3.900 . 3.900 2.896 2.328 3.675 . 0 0 "[ . 1 . 2]" 1
612 1 40 ASP H 1 41 ASP H 3.740 . 3.740 2.455 1.628 3.647 . 0 0 "[ . 1 . 2]" 1
613 1 41 ASP H 1 41 ASP HB2 4.140 . 4.140 2.719 2.306 3.589 . 0 0 "[ . 1 . 2]" 1
614 1 41 ASP H 1 41 ASP QB 3.450 . 3.450 2.469 2.169 2.887 . 0 0 "[ . 1 . 2]" 1
615 1 41 ASP H 1 41 ASP HB3 4.140 . 4.140 3.219 2.499 3.745 . 0 0 "[ . 1 . 2]" 1
616 1 41 ASP HA 1 42 TRP H 3.210 . 3.210 2.318 2.095 2.749 . 0 0 "[ . 1 . 2]" 1
617 1 41 ASP QB 1 42 TRP H 3.870 . 3.870 2.740 2.086 3.890 0.020 3 0 "[ . 1 . 2]" 1
618 1 41 ASP HB2 1 42 TRP H 4.490 . 4.490 3.630 2.206 4.510 0.020 3 0 "[ . 1 . 2]" 1
619 1 41 ASP HB3 1 42 TRP H 4.490 . 4.490 3.047 2.109 4.251 . 0 0 "[ . 1 . 2]" 1
620 1 42 TRP H 1 42 TRP HB2 3.860 . 3.860 2.603 2.402 2.967 . 0 0 "[ . 1 . 2]" 1
621 1 42 TRP H 1 42 TRP HD1 4.210 . 4.210 3.230 2.640 4.329 0.119 11 0 "[ . 1 . 2]" 1
622 1 42 TRP HA 1 43 TYR H 3.200 . 3.200 2.125 2.069 2.193 . 0 0 "[ . 1 . 2]" 1
623 1 42 TRP HB2 1 43 TYR H 4.790 . 4.790 4.167 3.870 4.426 . 0 0 "[ . 1 . 2]" 1
624 1 42 TRP HB3 1 42 TRP HE3 3.770 . 3.770 2.528 2.361 2.907 . 0 0 "[ . 1 . 2]" 1
625 1 42 TRP HB3 1 43 TYR H 3.650 . 3.650 3.132 2.767 3.541 . 0 0 "[ . 1 . 2]" 1
626 1 42 TRP HE3 1 43 TYR H 4.530 . 4.530 3.779 3.157 4.120 . 0 0 "[ . 1 . 2]" 1
627 1 43 TYR H 1 43 TYR HB2 3.470 . 3.470 2.521 2.406 2.629 . 0 0 "[ . 1 . 2]" 1
628 1 43 TYR H 1 43 TYR HB3 3.980 . 3.980 3.688 3.548 3.767 . 0 0 "[ . 1 . 2]" 1
629 1 43 TYR H 1 43 TYR QD 4.530 . 4.530 2.647 2.379 3.376 . 0 0 "[ . 1 . 2]" 1
630 1 43 TYR H 1 44 HIS H 4.540 . 4.540 4.388 4.323 4.438 . 0 0 "[ . 1 . 2]" 1
631 1 43 TYR H 1 48 VAL MG1 5.500 . 5.500 5.121 4.610 5.503 0.003 12 0 "[ . 1 . 2]" 1
632 1 43 TYR H 1 60 TRP HH2 4.610 . 4.610 4.334 3.733 4.645 0.035 10 0 "[ . 1 . 2]" 1
633 1 43 TYR HA 1 43 TYR QD 4.380 . 4.380 3.104 2.863 3.204 . 0 0 "[ . 1 . 2]" 1
634 1 43 TYR HA 1 44 HIS H 3.150 . 3.150 2.319 2.200 2.593 . 0 0 "[ . 1 . 2]" 1
635 1 43 TYR HA 1 48 VAL MG1 4.960 . 4.960 4.673 4.264 4.991 0.031 1 0 "[ . 1 . 2]" 1
636 1 43 TYR HB2 1 44 HIS H 4.310 . 4.310 3.716 3.237 3.972 . 0 0 "[ . 1 . 2]" 1
637 1 43 TYR HB2 1 48 VAL MG1 3.690 . 3.690 2.997 2.465 3.368 . 0 0 "[ . 1 . 2]" 1
638 1 43 TYR HB2 1 60 TRP HH2 4.640 . 4.640 2.454 2.175 2.806 . 0 0 "[ . 1 . 2]" 1
639 1 43 TYR HB3 1 44 HIS H 3.800 . 3.800 2.558 2.042 2.837 . 0 0 "[ . 1 . 2]" 1
640 1 43 TYR HB3 1 47 CYS HB3 4.790 . 4.790 4.427 3.875 4.745 . 0 0 "[ . 1 . 2]" 1
641 1 43 TYR HB3 1 48 VAL MG1 3.600 . 3.600 2.581 2.185 2.901 . 0 0 "[ . 1 . 2]" 1
642 1 43 TYR HB3 1 48 VAL MG2 4.440 . 4.440 3.448 2.937 3.896 . 0 0 "[ . 1 . 2]" 1
643 1 43 TYR HB3 1 60 TRP HH2 4.730 . 4.730 3.598 3.276 4.157 . 0 0 "[ . 1 . 2]" 1
644 1 43 TYR QD 1 44 HIS H 4.490 . 4.490 3.824 3.179 4.058 . 0 0 "[ . 1 . 2]" 1
645 1 43 TYR QD 1 48 VAL MG2 5.490 . 5.490 4.557 4.126 5.050 . 0 0 "[ . 1 . 2]" 1
646 1 44 HIS H 1 44 HIS HB2 3.700 . 3.700 2.573 2.509 2.650 . 0 0 "[ . 1 . 2]" 1
647 1 44 HIS H 1 44 HIS HB3 4.000 . 4.000 3.718 3.677 3.790 . 0 0 "[ . 1 . 2]" 1
648 1 44 HIS H 1 44 HIS HD2 5.290 . 5.290 4.756 4.374 5.029 . 0 0 "[ . 1 . 2]" 1
649 1 44 HIS H 1 44 HIS HE1 5.500 . 5.500 5.040 4.919 5.180 . 0 0 "[ . 1 . 2]" 1
650 1 44 HIS H 1 45 TRP H 4.620 . 4.620 4.601 4.498 4.631 0.011 5 0 "[ . 1 . 2]" 1
651 1 44 HIS H 1 47 CYS H 4.650 . 4.650 4.419 4.280 4.604 . 0 0 "[ . 1 . 2]" 1
652 1 44 HIS H 1 47 CYS HB2 4.030 . 4.030 3.011 2.762 3.228 . 0 0 "[ . 1 . 2]" 1
653 1 44 HIS H 1 47 CYS HB3 4.660 . 4.660 4.174 3.951 4.411 . 0 0 "[ . 1 . 2]" 1
654 1 44 HIS H 1 48 VAL MG1 4.460 . 4.460 4.104 3.790 4.466 0.006 16 0 "[ . 1 . 2]" 1
655 1 44 HIS HA 1 45 TRP H 3.250 . 3.250 2.228 2.191 2.307 . 0 0 "[ . 1 . 2]" 1
656 1 44 HIS HB2 1 45 TRP H 4.670 . 4.670 3.916 3.580 4.067 . 0 0 "[ . 1 . 2]" 1
657 1 44 HIS HB2 1 46 PRO HG2 4.370 . 4.370 3.177 2.994 3.582 . 0 0 "[ . 1 . 2]" 1
658 1 44 HIS HB2 1 47 CYS H 3.570 . 3.570 2.972 2.795 3.104 . 0 0 "[ . 1 . 2]" 1
659 1 44 HIS HB2 1 47 CYS HB2 3.960 . 3.960 2.832 2.404 3.426 . 0 0 "[ . 1 . 2]" 1
660 1 44 HIS HB2 1 47 CYS HB3 4.710 . 4.710 3.954 3.648 4.176 . 0 0 "[ . 1 . 2]" 1
661 1 44 HIS HB3 1 45 TRP H 3.660 . 3.660 2.836 2.473 3.000 . 0 0 "[ . 1 . 2]" 1
662 1 44 HIS HB3 1 46 PRO HD2 3.150 . 3.150 2.089 1.929 2.248 . 0 0 "[ . 1 . 2]" 1
663 1 44 HIS HB3 1 46 PRO HD3 4.000 . 4.000 3.781 3.601 3.985 . 0 0 "[ . 1 . 2]" 1
664 1 44 HIS HB3 1 46 PRO HG2 4.740 . 4.740 2.790 2.299 3.163 . 0 0 "[ . 1 . 2]" 1
665 1 44 HIS HB3 1 46 PRO HG3 4.530 . 4.530 3.720 3.417 4.088 . 0 0 "[ . 1 . 2]" 1
666 1 44 HIS HB3 1 47 CYS H 3.730 . 3.730 3.523 3.140 3.785 0.055 1 0 "[ . 1 . 2]" 1
667 1 44 HIS HD2 1 45 TRP H 4.620 . 4.620 4.280 4.099 4.497 . 0 0 "[ . 1 . 2]" 1
668 1 44 HIS ND1 1 47 CYS SG 3.800 3.800 3.800 3.656 3.585 3.854 0.215 4 0 "[ . 1 . 2]" 1
669 1 45 TRP H 1 45 TRP HB2 3.700 . 3.700 2.353 2.219 2.417 . 0 0 "[ . 1 . 2]" 1
670 1 45 TRP H 1 45 TRP HB3 3.780 . 3.780 3.583 3.511 3.619 . 0 0 "[ . 1 . 2]" 1
671 1 45 TRP H 1 45 TRP HD1 3.850 . 3.850 2.788 2.619 3.063 . 0 0 "[ . 1 . 2]" 1
672 1 45 TRP H 1 46 PRO HD2 3.230 . 3.230 2.391 2.254 2.482 . 0 0 "[ . 1 . 2]" 1
673 1 45 TRP H 1 46 PRO HD3 3.950 . 3.950 3.529 3.417 3.610 . 0 0 "[ . 1 . 2]" 1
674 1 45 TRP H 1 46 PRO HG2 4.640 . 4.640 4.570 4.385 4.661 0.021 3 0 "[ . 1 . 2]" 1
675 1 45 TRP H 1 47 CYS H 4.850 . 4.850 4.219 4.096 4.378 . 0 0 "[ . 1 . 2]" 1
676 1 45 TRP H 1 48 VAL H 5.480 . 5.480 5.246 5.106 5.397 . 0 0 "[ . 1 . 2]" 1
677 1 45 TRP H 1 48 VAL MG2 5.470 . 5.470 4.277 3.999 4.473 . 0 0 "[ . 1 . 2]" 1
678 1 45 TRP H 1 50 ILE HB 5.010 . 5.010 4.754 4.487 5.014 0.004 20 0 "[ . 1 . 2]" 1
679 1 45 TRP HA 1 45 TRP HD1 3.000 . 3.000 2.313 2.182 2.422 . 0 0 "[ . 1 . 2]" 1
680 1 45 TRP HA 1 45 TRP HE1 4.860 . 4.860 4.625 4.486 4.693 . 0 0 "[ . 1 . 2]" 1
681 1 45 TRP HA 1 47 CYS H 4.920 . 4.920 3.958 3.741 4.258 . 0 0 "[ . 1 . 2]" 1
682 1 45 TRP HA 1 48 VAL H 4.330 . 4.330 3.703 3.499 3.917 . 0 0 "[ . 1 . 2]" 1
683 1 45 TRP HA 1 48 VAL MG2 3.590 . 3.590 2.554 2.237 2.778 . 0 0 "[ . 1 . 2]" 1
684 1 45 TRP HA 1 50 ILE H 4.340 . 4.340 3.386 3.026 3.713 . 0 0 "[ . 1 . 2]" 1
685 1 45 TRP HA 1 50 ILE HB 3.800 . 3.800 2.362 2.091 2.610 . 0 0 "[ . 1 . 2]" 1
686 1 45 TRP HA 1 50 ILE MD 4.340 . 4.340 3.778 3.180 4.356 0.016 12 0 "[ . 1 . 2]" 1
687 1 45 TRP HA 1 50 ILE QG 4.570 . 4.570 3.133 2.166 4.006 . 0 0 "[ . 1 . 2]" 1
688 1 45 TRP HA 1 50 ILE MG 4.570 . 4.570 3.694 3.525 3.894 . 0 0 "[ . 1 . 2]" 1
689 1 45 TRP HB2 1 45 TRP HE3 3.880 . 3.880 3.118 3.028 3.219 . 0 0 "[ . 1 . 2]" 1
690 1 45 TRP HB2 1 45 TRP HZ3 5.500 . 5.500 5.409 5.317 5.502 0.002 7 0 "[ . 1 . 2]" 1
691 1 45 TRP HB2 1 46 PRO HD2 3.700 . 3.700 2.745 2.638 2.857 . 0 0 "[ . 1 . 2]" 1
692 1 45 TRP HB2 1 46 PRO HD3 3.590 . 3.590 2.449 2.342 2.622 . 0 0 "[ . 1 . 2]" 1
693 1 45 TRP HB2 1 50 ILE H 5.340 . 5.340 4.918 4.684 5.153 . 0 0 "[ . 1 . 2]" 1
694 1 45 TRP HB2 1 50 ILE HB 4.470 . 4.470 3.869 3.528 4.248 . 0 0 "[ . 1 . 2]" 1
695 1 45 TRP HB2 1 50 ILE MG 4.740 . 4.740 4.346 4.066 4.682 . 0 0 "[ . 1 . 2]" 1
696 1 45 TRP HB3 1 45 TRP HE3 3.820 . 3.820 2.692 2.582 2.780 . 0 0 "[ . 1 . 2]" 1
697 1 45 TRP HB3 1 46 PRO HD2 3.900 . 3.900 3.817 3.647 3.902 0.002 15 0 "[ . 1 . 2]" 1
698 1 45 TRP HB3 1 46 PRO HD3 3.680 . 3.680 3.199 2.847 3.398 . 0 0 "[ . 1 . 2]" 1
699 1 45 TRP HB3 1 50 ILE H 4.480 . 4.480 3.468 3.219 3.707 . 0 0 "[ . 1 . 2]" 1
700 1 45 TRP HB3 1 50 ILE HB 4.210 . 4.210 2.463 2.069 2.870 . 0 0 "[ . 1 . 2]" 1
701 1 45 TRP HB3 1 50 ILE MD 5.260 . 5.260 4.823 4.344 5.238 . 0 0 "[ . 1 . 2]" 1
702 1 45 TRP HB3 1 50 ILE MG 4.090 . 4.090 3.216 2.828 3.649 . 0 0 "[ . 1 . 2]" 1
703 1 45 TRP HD1 1 48 VAL MG2 4.960 . 4.960 3.720 3.441 4.052 . 0 0 "[ . 1 . 2]" 1
704 1 45 TRP HD1 1 50 ILE MD 4.490 . 4.490 4.091 3.268 4.571 0.081 19 0 "[ . 1 . 2]" 1
705 1 45 TRP HD1 1 50 ILE MG 4.030 . 4.030 3.636 3.267 3.840 . 0 0 "[ . 1 . 2]" 1
706 1 45 TRP HE1 1 50 ILE MD 4.900 . 4.900 4.451 3.701 4.949 0.049 15 0 "[ . 1 . 2]" 1
707 1 45 TRP HE1 1 50 ILE MG 3.590 . 3.590 3.393 2.993 3.644 0.054 2 0 "[ . 1 . 2]" 1
708 1 45 TRP HE1 1 53 ALA HA 4.810 . 4.810 4.548 4.279 4.843 0.033 14 0 "[ . 1 . 2]" 1
709 1 45 TRP HE1 1 54 PRO HD3 5.310 . 5.310 4.954 4.152 5.320 0.010 17 0 "[ . 1 . 2]" 1
710 1 45 TRP HE3 1 50 ILE HB 4.540 . 4.540 4.213 3.437 4.592 0.052 8 0 "[ . 1 . 2]" 1
711 1 45 TRP HE3 1 50 ILE MG 3.860 . 3.860 3.295 2.967 3.713 . 0 0 "[ . 1 . 2]" 1
712 1 45 TRP HE3 1 51 MET HA 5.000 . 5.000 3.620 2.629 4.998 . 0 0 "[ . 1 . 2]" 1
713 1 45 TRP HH2 1 50 ILE MG 4.330 . 4.330 4.268 3.993 4.399 0.069 18 0 "[ . 1 . 2]" 1
714 1 45 TRP HH2 1 52 ALA HA 4.410 . 4.410 3.475 2.696 4.282 . 0 0 "[ . 1 . 2]" 1
715 1 45 TRP HH2 1 53 ALA H 3.620 . 3.620 2.759 2.322 3.302 . 0 0 "[ . 1 . 2]" 1
716 1 45 TRP HH2 1 53 ALA HA 4.290 . 4.290 3.540 3.066 4.126 . 0 0 "[ . 1 . 2]" 1
717 1 45 TRP HH2 1 53 ALA MB 3.570 . 3.570 2.593 2.185 3.057 . 0 0 "[ . 1 . 2]" 1
718 1 45 TRP HZ2 1 50 ILE MG 4.250 . 4.250 3.812 3.461 4.053 . 0 0 "[ . 1 . 2]" 1
719 1 45 TRP HZ2 1 53 ALA H 4.390 . 4.390 4.132 3.384 4.433 0.043 3 0 "[ . 1 . 2]" 1
720 1 45 TRP HZ2 1 53 ALA HA 3.930 . 3.930 3.001 2.681 3.562 . 0 0 "[ . 1 . 2]" 1
721 1 45 TRP HZ2 1 53 ALA MB 3.710 . 3.710 2.809 2.323 3.624 . 0 0 "[ . 1 . 2]" 1
722 1 45 TRP HZ2 1 54 PRO HD2 4.500 . 4.500 3.959 3.189 4.627 0.127 20 0 "[ . 1 . 2]" 1
723 1 45 TRP HZ2 1 54 PRO HD3 5.280 . 5.280 4.640 3.867 5.288 0.008 6 0 "[ . 1 . 2]" 1
724 1 45 TRP HZ3 1 52 ALA HA 3.700 . 3.700 2.810 2.324 3.634 . 0 0 "[ . 1 . 2]" 1
725 1 45 TRP HZ3 1 52 ALA MB 5.500 . 5.500 4.342 3.912 5.011 . 0 0 "[ . 1 . 2]" 1
726 1 45 TRP HZ3 1 53 ALA H 4.750 . 4.750 3.795 3.366 4.167 . 0 0 "[ . 1 . 2]" 1
727 1 45 TRP HZ3 1 53 ALA MB 5.300 . 5.300 4.548 4.150 5.034 . 0 0 "[ . 1 . 2]" 1
728 1 46 PRO HA 1 48 VAL H 4.320 . 4.320 4.165 3.952 4.365 0.045 7 0 "[ . 1 . 2]" 1
729 1 46 PRO HA 1 49 GLY H 3.690 . 3.690 3.469 3.276 3.668 . 0 0 "[ . 1 . 2]" 1
730 1 46 PRO HA 1 50 ILE H 3.830 . 3.830 3.566 3.084 3.835 0.005 19 0 "[ . 1 . 2]" 1
731 1 46 PRO HB2 1 47 CYS H 3.920 . 3.920 3.637 3.362 3.794 . 0 0 "[ . 1 . 2]" 1
732 1 46 PRO HB2 1 47 CYS HA 4.500 . 4.500 4.105 3.952 4.221 . 0 0 "[ . 1 . 2]" 1
733 1 46 PRO HB3 1 47 CYS H 4.480 . 4.480 4.391 4.246 4.474 . 0 0 "[ . 1 . 2]" 1
734 1 46 PRO HD2 1 47 CYS H 3.560 . 3.560 3.143 3.077 3.203 . 0 0 "[ . 1 . 2]" 1
735 1 46 PRO HD3 1 47 CYS H 4.120 . 4.120 4.128 4.084 4.154 0.034 20 0 "[ . 1 . 2]" 1
736 1 46 PRO HG2 1 47 CYS H 3.680 . 3.680 2.868 2.575 3.062 . 0 0 "[ . 1 . 2]" 1
737 1 46 PRO HG3 1 47 CYS H 4.550 . 4.550 4.344 4.113 4.475 . 0 0 "[ . 1 . 2]" 1
738 1 47 CYS H 1 47 CYS HB2 3.270 . 3.270 2.376 2.314 2.487 . 0 0 "[ . 1 . 2]" 1
739 1 47 CYS H 1 47 CYS HB3 3.730 . 3.730 3.546 3.383 3.602 . 0 0 "[ . 1 . 2]" 1
740 1 47 CYS H 1 48 VAL H 3.150 . 3.150 2.314 2.145 2.494 . 0 0 "[ . 1 . 2]" 1
741 1 47 CYS H 1 48 VAL MG1 4.520 . 4.520 4.165 3.833 4.364 . 0 0 "[ . 1 . 2]" 1
742 1 47 CYS H 1 48 VAL MG2 4.180 . 4.180 3.361 3.122 3.474 . 0 0 "[ . 1 . 2]" 1
743 1 47 CYS H 1 49 GLY H 4.410 . 4.410 3.616 3.412 3.866 . 0 0 "[ . 1 . 2]" 1
744 1 47 CYS HA 1 48 VAL MG1 4.490 . 4.490 4.468 4.393 4.531 0.041 11 0 "[ . 1 . 2]" 1
745 1 47 CYS HA 1 49 GLY H 4.720 . 4.720 4.198 3.890 4.647 . 0 0 "[ . 1 . 2]" 1
746 1 47 CYS HB2 1 48 VAL H 4.100 . 4.100 2.834 2.488 3.092 . 0 0 "[ . 1 . 2]" 1
747 1 47 CYS HB2 1 48 VAL MG1 4.210 . 4.210 2.827 2.343 2.981 . 0 0 "[ . 1 . 2]" 1
748 1 47 CYS HB3 1 48 VAL H 4.550 . 4.550 3.858 3.571 4.028 . 0 0 "[ . 1 . 2]" 1
749 1 47 CYS HB3 1 48 VAL MG1 3.990 . 3.990 3.395 3.171 3.598 . 0 0 "[ . 1 . 2]" 1
750 1 47 CYS HB3 1 48 VAL MG2 4.470 . 4.470 4.509 4.400 4.573 0.103 2 0 "[ . 1 . 2]" 1
751 1 47 CYS HB3 1 63 PRO HG3 5.080 . 5.080 5.089 4.627 5.183 0.103 19 0 "[ . 1 . 2]" 1
752 1 48 VAL H 1 48 VAL MG1 4.120 . 4.120 2.831 2.593 2.997 . 0 0 "[ . 1 . 2]" 1
753 1 48 VAL H 1 48 VAL MG2 3.010 . 3.010 1.938 1.769 2.115 . 0 0 "[ . 1 . 2]" 1
754 1 48 VAL H 1 49 GLY H 3.010 . 3.010 2.098 2.047 2.185 . 0 0 "[ . 1 . 2]" 1
755 1 48 VAL H 1 49 GLY HA2 4.740 . 4.740 4.377 4.296 4.472 . 0 0 "[ . 1 . 2]" 1
756 1 48 VAL H 1 49 GLY QA 4.130 . 4.130 4.048 3.998 4.106 . 0 0 "[ . 1 . 2]" 1
757 1 48 VAL H 1 49 GLY HA3 4.740 . 4.740 4.768 4.744 4.789 0.049 18 0 "[ . 1 . 2]" 1
758 1 48 VAL H 1 50 ILE H 4.130 . 4.130 3.590 3.233 3.953 . 0 0 "[ . 1 . 2]" 1
759 1 48 VAL HA 1 48 VAL MG1 3.200 . 3.200 2.267 2.220 2.312 . 0 0 "[ . 1 . 2]" 1
760 1 48 VAL HA 1 49 GLY H 3.520 . 3.520 3.246 3.057 3.470 . 0 0 "[ . 1 . 2]" 1
761 1 48 VAL HA 1 60 TRP HZ2 5.190 . 5.190 4.604 4.441 4.905 . 0 0 "[ . 1 . 2]" 1
762 1 48 VAL HB 1 49 GLY H 4.880 . 4.880 4.188 3.909 4.359 . 0 0 "[ . 1 . 2]" 1
763 1 48 VAL HB 1 60 TRP HE1 4.010 . 4.010 3.541 3.072 4.045 0.035 10 0 "[ . 1 . 2]" 1
764 1 48 VAL HB 1 60 TRP HH2 5.350 . 5.350 4.242 3.702 4.767 . 0 0 "[ . 1 . 2]" 1
765 1 48 VAL HB 1 60 TRP HZ2 3.530 . 3.530 2.244 1.976 2.640 . 0 0 "[ . 1 . 2]" 1
766 1 48 VAL HB 1 62 CYS HA 5.500 . 5.500 4.667 3.864 5.428 . 0 0 "[ . 1 . 2]" 1
767 1 48 VAL MG1 1 50 ILE MD 4.700 . 4.700 4.319 3.836 4.718 0.018 12 0 "[ . 1 . 2]" 1
768 1 48 VAL MG1 1 60 TRP HH2 3.490 . 3.490 2.436 2.063 2.840 . 0 0 "[ . 1 . 2]" 1
769 1 48 VAL MG1 1 60 TRP HZ2 3.000 . 3.000 2.205 1.974 2.828 . 0 0 "[ . 1 . 2]" 1
770 1 48 VAL MG1 1 62 CYS HA 3.960 . 3.960 3.305 2.872 3.646 . 0 0 "[ . 1 . 2]" 1
771 1 48 VAL MG1 1 62 CYS HB2 4.580 . 4.580 3.936 3.362 4.589 0.009 3 0 "[ . 1 . 2]" 1
772 1 48 VAL MG1 1 63 PRO QD 3.770 . 3.770 2.036 1.850 2.250 . 0 0 "[ . 1 . 2]" 1
773 1 48 VAL MG1 1 63 PRO HG2 4.150 . 4.150 3.585 3.100 3.930 . 0 0 "[ . 1 . 2]" 1
774 1 48 VAL MG1 1 63 PRO HG3 4.080 . 4.080 2.570 2.079 3.121 . 0 0 "[ . 1 . 2]" 1
775 1 48 VAL MG2 1 49 GLY H 3.780 . 3.780 2.908 2.333 3.330 . 0 0 "[ . 1 . 2]" 1
776 1 48 VAL MG2 1 50 ILE H 3.580 . 3.580 2.939 2.524 3.437 . 0 0 "[ . 1 . 2]" 1
777 1 48 VAL MG2 1 50 ILE HA 4.710 . 4.710 4.327 4.007 4.560 . 0 0 "[ . 1 . 2]" 1
778 1 48 VAL MG2 1 50 ILE HB 4.130 . 4.130 3.151 2.415 3.785 . 0 0 "[ . 1 . 2]" 1
779 1 48 VAL MG2 1 50 ILE MD 3.450 . 3.450 2.479 2.023 3.029 . 0 0 "[ . 1 . 2]" 1
780 1 48 VAL MG2 1 50 ILE HG12 4.060 . 4.060 2.609 1.788 3.660 . 0 0 "[ . 1 . 2]" 1
781 1 48 VAL MG2 1 50 ILE QG 3.210 . 3.210 1.897 1.754 2.140 . 0 0 "[ . 1 . 2]" 1
782 1 48 VAL MG2 1 50 ILE HG13 4.060 . 4.060 2.386 1.983 2.969 . 0 0 "[ . 1 . 2]" 1
783 1 48 VAL MG2 1 50 ILE MG 4.420 . 4.420 3.955 3.617 4.202 . 0 0 "[ . 1 . 2]" 1
784 1 48 VAL MG2 1 60 TRP HE1 3.750 . 3.750 3.578 3.319 3.791 0.041 12 0 "[ . 1 . 2]" 1
785 1 48 VAL MG2 1 60 TRP HH2 4.170 . 4.170 3.192 2.734 3.455 . 0 0 "[ . 1 . 2]" 1
786 1 48 VAL MG2 1 60 TRP HZ2 3.560 . 3.560 2.020 1.828 2.280 . 0 0 "[ . 1 . 2]" 1
787 1 49 GLY H 1 50 ILE H 3.370 . 3.370 2.474 2.083 2.796 . 0 0 "[ . 1 . 2]" 1
788 1 49 GLY H 1 50 ILE HB 4.800 . 4.800 4.673 4.034 4.821 0.021 16 0 "[ . 1 . 2]" 1
789 1 49 GLY H 1 50 ILE QG 4.900 . 4.900 3.815 3.248 4.286 . 0 0 "[ . 1 . 2]" 1
790 1 50 ILE H 1 50 ILE HB 3.100 . 3.100 2.578 2.466 2.751 . 0 0 "[ . 1 . 2]" 1
791 1 50 ILE H 1 50 ILE MD 4.270 . 4.270 3.807 3.344 4.131 . 0 0 "[ . 1 . 2]" 1
792 1 50 ILE H 1 50 ILE HG12 3.960 . 3.960 3.145 2.341 3.996 0.036 11 0 "[ . 1 . 2]" 1
793 1 50 ILE H 1 50 ILE HG13 3.960 . 3.960 3.435 2.859 3.972 0.012 15 0 "[ . 1 . 2]" 1
794 1 50 ILE H 1 50 ILE MG 3.900 . 3.900 3.813 3.766 3.861 . 0 0 "[ . 1 . 2]" 1
795 1 50 ILE H 1 51 MET H 4.630 . 4.630 4.192 2.541 4.429 . 0 0 "[ . 1 . 2]" 1
796 1 50 ILE HA 1 50 ILE MD 4.000 . 4.000 2.915 2.064 3.785 . 0 0 "[ . 1 . 2]" 1
797 1 50 ILE HA 1 50 ILE HG12 4.180 . 4.180 2.766 2.324 3.246 . 0 0 "[ . 1 . 2]" 1
798 1 50 ILE HA 1 50 ILE QG 3.570 . 3.570 2.656 2.235 3.078 . 0 0 "[ . 1 . 2]" 1
799 1 50 ILE HA 1 50 ILE HG13 4.180 . 4.180 3.435 2.900 3.927 . 0 0 "[ . 1 . 2]" 1
800 1 50 ILE HA 1 50 ILE MG 3.470 . 3.470 2.436 2.254 2.567 . 0 0 "[ . 1 . 2]" 1
801 1 50 ILE HA 1 51 MET H 2.830 . 2.830 2.156 1.962 3.200 0.370 16 0 "[ . 1 . 2]" 1
802 1 50 ILE HA 1 51 MET QG 4.620 . 4.620 3.842 3.581 4.646 0.026 2 0 "[ . 1 . 2]" 1
803 1 50 ILE HA 1 52 ALA H 3.770 . 3.770 3.485 3.198 3.750 . 0 0 "[ . 1 . 2]" 1
804 1 50 ILE HB 1 51 MET H 4.900 . 4.900 4.068 1.891 4.337 . 0 0 "[ . 1 . 2]" 1
805 1 50 ILE MD 1 50 ILE MG 2.870 . 2.870 1.936 1.867 1.993 . 0 0 "[ . 1 . 2]" 1
806 1 50 ILE MD 1 51 MET H 4.810 . 4.810 4.386 3.816 4.901 0.091 8 0 "[ . 1 . 2]" 1
807 1 50 ILE MD 1 52 ALA H 4.850 . 4.850 4.637 4.232 4.887 0.037 14 0 "[ . 1 . 2]" 1
808 1 50 ILE MD 1 54 PRO HD3 4.450 . 4.450 2.732 2.228 3.116 . 0 0 "[ . 1 . 2]" 1
809 1 50 ILE MD 1 54 PRO HG2 4.340 . 4.340 3.462 2.344 4.026 . 0 0 "[ . 1 . 2]" 1
810 1 50 ILE MD 1 54 PRO QG 3.800 . 3.800 2.247 2.039 2.503 . 0 0 "[ . 1 . 2]" 1
811 1 50 ILE MD 1 54 PRO HG3 4.340 . 4.340 2.318 2.090 2.760 . 0 0 "[ . 1 . 2]" 1
812 1 50 ILE MD 1 60 TRP HD1 4.130 . 4.130 3.455 3.158 3.794 . 0 0 "[ . 1 . 2]" 1
813 1 50 ILE MD 1 60 TRP HE1 3.540 . 3.540 2.194 1.960 2.490 . 0 0 "[ . 1 . 2]" 1
814 1 50 ILE QG 1 50 ILE MG 3.210 . 3.210 2.353 2.248 2.462 . 0 0 "[ . 1 . 2]" 1
815 1 50 ILE QG 1 51 MET H 5.110 . 5.110 4.278 3.575 4.787 . 0 0 "[ . 1 . 2]" 1
816 1 50 ILE HG12 1 50 ILE MG 3.670 . 3.670 2.843 2.415 3.190 . 0 0 "[ . 1 . 2]" 1
817 1 50 ILE HG12 1 60 TRP HE1 4.600 . 4.600 4.088 3.563 4.621 0.021 7 0 "[ . 1 . 2]" 1
818 1 50 ILE HG13 1 50 ILE MG 3.670 . 3.670 2.773 2.299 3.230 . 0 0 "[ . 1 . 2]" 1
819 1 50 ILE HG13 1 60 TRP HE1 4.600 . 4.600 4.135 3.296 4.611 0.011 3 0 "[ . 1 . 2]" 1
820 1 50 ILE MG 1 51 MET H 3.650 . 3.650 2.770 2.506 3.138 . 0 0 "[ . 1 . 2]" 1
821 1 50 ILE MG 1 52 ALA H 3.100 . 3.100 2.303 1.955 2.563 . 0 0 "[ . 1 . 2]" 1
822 1 50 ILE MG 1 52 ALA HA 4.260 . 4.260 3.688 3.208 4.038 . 0 0 "[ . 1 . 2]" 1
823 1 50 ILE MG 1 52 ALA MB 4.340 . 4.340 3.956 3.749 4.111 . 0 0 "[ . 1 . 2]" 1
824 1 50 ILE MG 1 53 ALA H 4.610 . 4.610 4.099 3.649 4.447 . 0 0 "[ . 1 . 2]" 1
825 1 50 ILE MG 1 53 ALA HA 4.280 . 4.280 3.133 2.789 3.686 . 0 0 "[ . 1 . 2]" 1
826 1 50 ILE MG 1 53 ALA MB 4.640 . 4.640 4.220 3.874 4.675 0.035 13 0 "[ . 1 . 2]" 1
827 1 50 ILE MG 1 54 PRO HB3 4.810 . 4.810 3.929 3.197 4.526 . 0 0 "[ . 1 . 2]" 1
828 1 50 ILE MG 1 54 PRO HD2 4.110 . 4.110 3.003 2.571 3.461 . 0 0 "[ . 1 . 2]" 1
829 1 50 ILE MG 1 54 PRO HD3 3.800 . 3.800 2.045 1.900 2.399 . 0 0 "[ . 1 . 2]" 1
830 1 50 ILE MG 1 54 PRO HG2 4.740 . 4.740 4.052 3.184 4.413 . 0 0 "[ . 1 . 2]" 1
831 1 50 ILE MG 1 54 PRO QG 4.110 . 4.110 2.955 2.032 3.420 . 0 0 "[ . 1 . 2]" 1
832 1 50 ILE MG 1 54 PRO HG3 4.740 . 4.740 3.041 2.056 3.562 . 0 0 "[ . 1 . 2]" 1
833 1 51 MET H 1 51 MET HB2 3.870 . 3.870 3.082 2.489 3.818 . 0 0 "[ . 1 . 2]" 1
834 1 51 MET H 1 51 MET QB 3.190 . 3.190 2.700 2.450 3.290 0.100 16 0 "[ . 1 . 2]" 1
835 1 51 MET H 1 51 MET HB3 3.870 . 3.870 3.435 2.787 4.029 0.159 16 0 "[ . 1 . 2]" 1
836 1 51 MET H 1 51 MET HG2 4.020 . 4.020 2.851 1.989 4.038 0.018 13 0 "[ . 1 . 2]" 1
837 1 51 MET H 1 51 MET QG 3.440 . 3.440 2.506 1.958 3.028 . 0 0 "[ . 1 . 2]" 1
838 1 51 MET H 1 51 MET HG3 4.020 . 4.020 3.346 2.448 4.101 0.081 8 0 "[ . 1 . 2]" 1
839 1 51 MET H 1 52 ALA H 2.880 . 2.880 2.089 1.851 2.965 0.085 16 0 "[ . 1 . 2]" 1
840 1 51 MET H 1 52 ALA HA 5.190 . 5.190 4.752 4.573 5.214 0.024 16 0 "[ . 1 . 2]" 1
841 1 51 MET H 1 52 ALA MB 5.290 . 5.290 4.085 3.637 5.060 . 0 0 "[ . 1 . 2]" 1
842 1 51 MET HA 1 51 MET HG2 4.100 . 4.100 3.188 2.490 3.789 . 0 0 "[ . 1 . 2]" 1
843 1 51 MET HA 1 51 MET QG 3.470 . 3.470 2.968 2.376 3.489 0.019 2 0 "[ . 1 . 2]" 1
844 1 51 MET HA 1 51 MET HG3 4.100 . 4.100 3.604 3.000 4.204 0.104 2 0 "[ . 1 . 2]" 1
845 1 51 MET HA 1 52 ALA MB 4.550 . 4.550 4.532 4.461 4.592 0.042 8 0 "[ . 1 . 2]" 1
846 1 51 MET HB2 1 52 ALA H 4.310 . 4.310 3.590 2.675 4.303 . 0 0 "[ . 1 . 2]" 1
847 1 51 MET HB3 1 52 ALA H 4.310 . 4.310 4.138 3.771 4.333 0.023 11 0 "[ . 1 . 2]" 1
848 1 51 MET QG 1 52 ALA H 4.550 . 4.550 3.671 2.608 4.415 . 0 0 "[ . 1 . 2]" 1
849 1 52 ALA H 1 52 ALA MB 3.140 . 3.140 2.712 2.599 2.821 . 0 0 "[ . 1 . 2]" 1
850 1 52 ALA H 1 53 ALA H 4.280 . 4.280 4.170 4.028 4.256 . 0 0 "[ . 1 . 2]" 1
851 1 52 ALA H 1 54 PRO HD2 5.500 . 5.500 5.475 5.062 5.574 0.074 18 0 "[ . 1 . 2]" 1
852 1 52 ALA HA 1 53 ALA H 2.730 . 2.730 2.276 2.155 2.412 . 0 0 "[ . 1 . 2]" 1
853 1 52 ALA HA 1 53 ALA HA 4.620 . 4.620 4.261 4.201 4.343 . 0 0 "[ . 1 . 2]" 1
854 1 52 ALA HA 1 53 ALA MB 4.390 . 4.390 4.057 3.951 4.202 . 0 0 "[ . 1 . 2]" 1
855 1 52 ALA HA 1 54 PRO HD3 5.180 . 5.180 5.067 4.485 5.242 0.062 9 0 "[ . 1 . 2]" 1
856 1 52 ALA MB 1 53 ALA H 2.920 . 2.920 2.701 2.473 2.962 0.042 4 0 "[ . 1 . 2]" 1
857 1 52 ALA MB 1 53 ALA HA 4.740 . 4.740 4.462 4.383 4.635 . 0 0 "[ . 1 . 2]" 1
858 1 52 ALA MB 1 54 PRO HA 5.000 . 5.000 4.911 4.717 5.046 0.046 4 0 "[ . 1 . 2]" 1
859 1 53 ALA H 1 53 ALA MB 2.690 . 2.690 2.207 2.172 2.228 . 0 0 "[ . 1 . 2]" 1
860 1 53 ALA H 1 54 PRO HD2 4.630 . 4.630 4.638 4.432 4.803 0.173 10 0 "[ . 1 . 2]" 1
861 1 53 ALA H 1 54 PRO HD3 4.470 . 4.470 4.359 3.722 4.531 0.061 18 0 "[ . 1 . 2]" 1
862 1 53 ALA HA 1 54 PRO HA 4.790 . 4.790 4.503 4.482 4.532 . 0 0 "[ . 1 . 2]" 1
863 1 53 ALA HA 1 54 PRO HD2 3.220 . 3.220 1.983 1.827 2.257 . 0 0 "[ . 1 . 2]" 1
864 1 53 ALA HA 1 54 PRO HD3 3.080 . 3.080 2.369 2.024 2.532 . 0 0 "[ . 1 . 2]" 1
865 1 53 ALA HA 1 54 PRO HG2 4.580 . 4.580 4.205 4.004 4.489 . 0 0 "[ . 1 . 2]" 1
866 1 53 ALA HA 1 54 PRO HG3 4.580 . 4.580 4.350 4.195 4.420 . 0 0 "[ . 1 . 2]" 1
867 1 53 ALA MB 1 54 PRO HD2 3.780 . 3.780 3.210 3.040 3.639 . 0 0 "[ . 1 . 2]" 1
868 1 53 ALA MB 1 54 PRO HD3 4.050 . 4.050 3.935 3.690 4.058 0.008 15 0 "[ . 1 . 2]" 1
869 1 54 PRO HA 1 55 PRO HD2 3.290 . 3.290 2.667 2.087 3.123 . 0 0 "[ . 1 . 2]" 1
870 1 54 PRO HA 1 55 PRO QD 2.750 . 2.750 1.992 1.894 2.284 . 0 0 "[ . 1 . 2]" 1
871 1 54 PRO HA 1 55 PRO HD3 3.290 . 3.290 2.104 1.944 2.631 . 0 0 "[ . 1 . 2]" 1
872 1 54 PRO HA 1 55 PRO QG 4.140 . 4.140 3.880 3.777 4.156 0.016 13 0 "[ . 1 . 2]" 1
873 1 54 PRO HB2 1 55 PRO HA 4.920 . 4.920 4.788 4.245 4.967 0.047 11 0 "[ . 1 . 2]" 1
874 1 54 PRO HB2 1 55 PRO HD2 4.430 . 4.430 3.008 2.129 3.738 . 0 0 "[ . 1 . 2]" 1
875 1 54 PRO HB2 1 55 PRO QD 3.570 . 3.570 2.889 2.102 3.489 . 0 0 "[ . 1 . 2]" 1
876 1 54 PRO HB2 1 55 PRO HD3 4.430 . 4.430 3.825 3.218 4.379 . 0 0 "[ . 1 . 2]" 1
877 1 54 PRO HB3 1 55 PRO HD2 4.280 . 4.280 3.508 2.782 4.169 . 0 0 "[ . 1 . 2]" 1
878 1 54 PRO HB3 1 55 PRO QD 3.620 . 3.620 3.239 2.632 3.748 0.128 10 0 "[ . 1 . 2]" 1
879 1 54 PRO HB3 1 55 PRO HD3 4.280 . 4.280 3.899 3.249 4.298 0.018 17 0 "[ . 1 . 2]" 1
880 1 54 PRO QG 1 60 TRP HD1 4.580 . 4.580 3.745 2.863 4.557 . 0 0 "[ . 1 . 2]" 1
881 1 55 PRO HA 1 56 GLU H 2.690 . 2.690 2.209 2.005 2.602 . 0 0 "[ . 1 . 2]" 1
882 1 55 PRO HA 1 56 GLU QG 4.430 . 4.430 3.995 3.390 4.555 0.125 1 0 "[ . 1 . 2]" 1
883 1 55 PRO HA 1 57 GLU H 4.360 . 4.360 3.771 3.296 4.294 . 0 0 "[ . 1 . 2]" 1
884 1 55 PRO HB2 1 56 GLU H 3.850 . 3.850 3.446 2.712 3.893 0.043 12 0 "[ . 1 . 2]" 1
885 1 55 PRO HB2 1 57 GLU H 3.990 . 3.990 2.875 2.432 3.420 . 0 0 "[ . 1 . 2]" 1
886 1 55 PRO HB2 1 58 MET H 3.860 . 3.860 3.172 2.289 3.936 0.076 10 0 "[ . 1 . 2]" 1
887 1 55 PRO HB3 1 56 GLU H 3.750 . 3.750 3.420 2.034 3.784 0.034 8 0 "[ . 1 . 2]" 1
888 1 55 PRO HB3 1 57 GLU H 4.310 . 4.310 3.611 3.174 4.385 0.075 13 0 "[ . 1 . 2]" 1
889 1 55 PRO HB3 1 58 MET H 5.050 . 5.050 4.558 3.759 5.080 0.030 7 0 "[ . 1 . 2]" 1
890 1 55 PRO QG 1 56 GLU H 4.670 . 4.670 4.571 3.847 4.722 0.052 6 0 "[ . 1 . 2]" 1
891 1 56 GLU H 1 56 GLU QB 2.790 . 2.790 2.653 2.415 2.827 0.037 20 0 "[ . 1 . 2]" 1
892 1 56 GLU H 1 56 GLU QG 3.280 . 3.280 2.170 1.886 2.758 . 0 0 "[ . 1 . 2]" 1
893 1 56 GLU H 1 57 GLU H 3.350 . 3.350 2.487 2.148 3.286 . 0 0 "[ . 1 . 2]" 1
894 1 56 GLU H 1 58 MET H 4.850 . 4.850 3.813 2.791 4.286 . 0 0 "[ . 1 . 2]" 1
895 1 56 GLU HA 1 56 GLU QG 3.670 . 3.670 3.305 2.537 3.541 . 0 0 "[ . 1 . 2]" 1
896 1 56 GLU HA 1 58 MET H 4.120 . 4.120 3.586 3.064 4.234 0.114 13 0 "[ . 1 . 2]" 1
897 1 56 GLU QB 1 57 GLU H 3.840 . 3.840 3.543 2.295 3.909 0.069 13 0 "[ . 1 . 2]" 1
898 1 56 GLU QG 1 57 GLU H 3.730 . 3.730 3.056 2.489 3.775 0.045 2 0 "[ . 1 . 2]" 1
899 1 56 GLU QG 1 58 MET H 5.310 . 5.310 4.188 1.702 5.315 0.005 2 0 "[ . 1 . 2]" 1
900 1 57 GLU H 1 57 GLU HB2 4.050 . 4.050 3.663 2.188 4.103 0.053 20 0 "[ . 1 . 2]" 1
901 1 57 GLU H 1 57 GLU QB 3.190 . 3.190 2.759 1.874 3.355 0.165 4 0 "[ . 1 . 2]" 1
902 1 57 GLU H 1 57 GLU HB3 4.050 . 4.050 2.864 2.036 3.563 . 0 0 "[ . 1 . 2]" 1
903 1 57 GLU H 1 57 GLU HG2 3.760 . 3.760 2.477 1.797 3.918 0.158 6 0 "[ . 1 . 2]" 1
904 1 57 GLU H 1 57 GLU HG3 3.760 . 3.760 3.305 2.887 3.950 0.190 6 0 "[ . 1 . 2]" 1
905 1 57 GLU H 1 58 MET H 3.220 . 3.220 2.276 1.374 2.742 . 0 0 "[ . 1 . 2]" 1
906 1 57 GLU HA 1 57 GLU HG2 4.040 . 4.040 3.738 3.095 3.862 . 0 0 "[ . 1 . 2]" 1
907 1 57 GLU HA 1 57 GLU QG 3.490 . 3.490 3.296 2.319 3.384 . 0 0 "[ . 1 . 2]" 1
908 1 57 GLU HA 1 57 GLU HG3 4.040 . 4.040 3.680 2.396 3.851 . 0 0 "[ . 1 . 2]" 1
909 1 57 GLU QB 1 58 MET H 4.140 . 4.140 3.661 2.806 3.973 . 0 0 "[ . 1 . 2]" 1
910 1 57 GLU QG 1 58 MET H 4.050 . 4.050 2.852 2.428 3.785 . 0 0 "[ . 1 . 2]" 1
911 1 57 GLU QG 1 58 MET HA 4.640 . 4.640 3.765 3.330 4.518 . 0 0 "[ . 1 . 2]" 1
912 1 58 MET H 1 58 MET HB2 3.130 . 3.130 2.891 2.588 3.103 . 0 0 "[ . 1 . 2]" 1
913 1 58 MET H 1 58 MET QB 2.730 . 2.730 2.337 2.233 2.500 . 0 0 "[ . 1 . 2]" 1
914 1 58 MET H 1 58 MET HB3 3.130 . 3.130 2.473 2.350 2.636 . 0 0 "[ . 1 . 2]" 1
915 1 58 MET H 1 58 MET HG2 4.650 . 4.650 4.389 4.262 4.660 0.010 13 0 "[ . 1 . 2]" 1
916 1 58 MET H 1 58 MET HG3 4.650 . 4.650 4.593 4.348 4.680 0.030 10 0 "[ . 1 . 2]" 1
917 1 58 MET H 1 59 GLN H 4.670 . 4.670 4.380 4.164 4.636 . 0 0 "[ . 1 . 2]" 1
918 1 58 MET HA 1 58 MET HG2 4.030 . 4.030 3.211 3.014 3.808 . 0 0 "[ . 1 . 2]" 1
919 1 58 MET HA 1 58 MET QG 3.390 . 3.390 2.591 2.461 3.042 . 0 0 "[ . 1 . 2]" 1
920 1 58 MET HA 1 58 MET HG3 4.030 . 4.030 2.736 2.598 3.206 . 0 0 "[ . 1 . 2]" 1
921 1 58 MET HA 1 59 GLN H 2.620 . 2.620 2.246 2.060 2.465 . 0 0 "[ . 1 . 2]" 1
922 1 58 MET HA 1 59 GLN QG 4.860 . 4.860 3.894 3.464 4.898 0.038 20 0 "[ . 1 . 2]" 1
923 1 58 MET QB 1 59 GLN H 3.700 . 3.700 3.595 3.236 3.798 0.098 14 0 "[ . 1 . 2]" 1
924 1 58 MET HB2 1 59 GLN H 4.480 . 4.480 4.100 3.858 4.315 . 0 0 "[ . 1 . 2]" 1
925 1 58 MET HB3 1 59 GLN H 4.480 . 4.480 3.985 3.469 4.240 . 0 0 "[ . 1 . 2]" 1
926 1 58 MET HG2 1 59 GLN H 3.900 . 3.900 2.928 1.941 3.948 0.048 19 0 "[ . 1 . 2]" 1
927 1 58 MET HG3 1 59 GLN H 3.900 . 3.900 2.979 2.414 3.664 . 0 0 "[ . 1 . 2]" 1
928 1 59 GLN H 1 59 GLN HB2 3.620 . 3.620 2.585 2.442 3.614 . 0 0 "[ . 1 . 2]" 1
929 1 59 GLN H 1 59 GLN QB 2.950 . 2.950 2.491 2.402 2.653 . 0 0 "[ . 1 . 2]" 1
930 1 59 GLN H 1 59 GLN HB3 3.620 . 3.620 3.565 2.730 3.651 0.031 2 0 "[ . 1 . 2]" 1
931 1 59 GLN H 1 59 GLN HG2 4.060 . 4.060 3.140 2.073 3.837 . 0 0 "[ . 1 . 2]" 1
932 1 59 GLN H 1 59 GLN QG 3.210 . 3.210 2.335 1.842 3.130 . 0 0 "[ . 1 . 2]" 1
933 1 59 GLN H 1 59 GLN HG3 4.060 . 4.060 2.776 1.857 3.884 . 0 0 "[ . 1 . 2]" 1
934 1 59 GLN H 1 60 TRP H 4.540 . 4.540 4.476 4.281 4.582 0.042 10 0 "[ . 1 . 2]" 1
935 1 59 GLN HA 1 59 GLN HG2 3.970 . 3.970 2.855 2.471 3.774 . 0 0 "[ . 1 . 2]" 1
936 1 59 GLN HA 1 59 GLN HG3 3.970 . 3.970 3.282 2.536 3.816 . 0 0 "[ . 1 . 2]" 1
937 1 59 GLN HA 1 60 TRP H 2.780 . 2.780 2.182 1.980 2.491 . 0 0 "[ . 1 . 2]" 1
938 1 59 GLN HA 1 60 TRP HB3 4.770 . 4.770 4.473 4.289 4.779 0.009 7 0 "[ . 1 . 2]" 1
939 1 59 GLN QB 1 60 TRP H 3.250 . 3.250 2.760 2.109 3.159 . 0 0 "[ . 1 . 2]" 1
940 1 59 GLN HB2 1 60 TRP H 3.850 . 3.850 3.779 2.792 3.959 0.109 14 0 "[ . 1 . 2]" 1
941 1 59 GLN HB2 1 61 PHE QE 4.010 . 4.010 2.848 2.181 3.277 . 0 0 "[ . 1 . 2]" 1
942 1 59 GLN HB3 1 60 TRP H 3.850 . 3.850 2.889 2.130 3.862 0.012 6 0 "[ . 1 . 2]" 1
943 1 59 GLN HB3 1 61 PHE QE 4.010 . 4.010 3.189 2.575 4.017 0.007 20 0 "[ . 1 . 2]" 1
944 1 59 GLN QE 1 61 PHE QE 4.640 . 4.640 3.536 2.414 4.565 . 0 0 "[ . 1 . 2]" 1
945 1 59 GLN QE 1 61 PHE HZ 4.280 . 4.280 3.036 2.116 4.004 . 0 0 "[ . 1 . 2]" 1
946 1 59 GLN QG 1 60 TRP H 4.580 . 4.580 4.098 3.658 4.637 0.057 9 0 "[ . 1 . 2]" 1
947 1 59 GLN QG 1 61 PHE QE 4.530 . 4.530 4.146 3.202 4.576 0.046 10 0 "[ . 1 . 2]" 1
948 1 60 TRP H 1 60 TRP HB2 3.730 . 3.730 3.072 2.861 3.226 . 0 0 "[ . 1 . 2]" 1
949 1 60 TRP H 1 60 TRP HB3 3.460 . 3.460 2.664 2.559 2.778 . 0 0 "[ . 1 . 2]" 1
950 1 60 TRP H 1 60 TRP HE3 4.850 . 4.850 4.414 4.181 4.567 . 0 0 "[ . 1 . 2]" 1
951 1 60 TRP H 1 61 PHE H 4.650 . 4.650 4.296 4.136 4.430 . 0 0 "[ . 1 . 2]" 1
952 1 60 TRP H 1 61 PHE QE 5.420 . 5.420 4.666 4.391 4.796 . 0 0 "[ . 1 . 2]" 1
953 1 60 TRP H 1 61 PHE HZ 5.240 . 5.240 5.269 5.142 5.336 0.096 20 0 "[ . 1 . 2]" 1
954 1 60 TRP HA 1 60 TRP HD1 3.840 . 3.840 3.237 3.132 3.311 . 0 0 "[ . 1 . 2]" 1
955 1 60 TRP HA 1 60 TRP HE1 5.220 . 5.220 5.099 4.936 5.212 . 0 0 "[ . 1 . 2]" 1
956 1 60 TRP HA 1 61 PHE H 2.800 . 2.800 2.146 2.055 2.203 . 0 0 "[ . 1 . 2]" 1
957 1 60 TRP HB2 1 60 TRP HD1 3.590 . 3.590 2.664 2.616 2.706 . 0 0 "[ . 1 . 2]" 1
958 1 60 TRP HB2 1 61 PHE H 4.510 . 4.510 4.167 4.046 4.296 . 0 0 "[ . 1 . 2]" 1
959 1 60 TRP HB3 1 60 TRP HE3 3.560 . 3.560 2.571 2.464 2.663 . 0 0 "[ . 1 . 2]" 1
960 1 60 TRP HB3 1 61 PHE H 4.580 . 4.580 4.082 3.921 4.249 . 0 0 "[ . 1 . 2]" 1
961 1 60 TRP HD1 1 61 PHE H 4.580 . 4.580 4.117 3.791 4.512 . 0 0 "[ . 1 . 2]" 1
962 1 60 TRP HE3 1 61 PHE H 5.180 . 5.180 4.218 3.910 4.469 . 0 0 "[ . 1 . 2]" 1
963 1 60 TRP HH2 1 62 CYS H 4.750 . 4.750 4.648 4.321 4.783 0.033 8 0 "[ . 1 . 2]" 1
964 1 60 TRP HH2 1 62 CYS HA 3.910 . 3.910 2.891 2.509 3.282 . 0 0 "[ . 1 . 2]" 1
965 1 60 TRP HH2 1 62 CYS HB3 4.620 . 4.620 3.039 2.535 3.685 . 0 0 "[ . 1 . 2]" 1
966 1 60 TRP HH2 1 63 PRO QD 4.240 . 4.240 3.339 2.893 3.889 . 0 0 "[ . 1 . 2]" 1
967 1 60 TRP HZ2 1 62 CYS HA 4.050 . 4.050 3.479 3.143 3.745 . 0 0 "[ . 1 . 2]" 1
968 1 60 TRP HZ2 1 63 PRO QD 4.280 . 4.280 3.575 3.182 4.125 . 0 0 "[ . 1 . 2]" 1
969 1 60 TRP HZ3 1 62 CYS HA 4.570 . 4.570 3.681 3.073 4.225 . 0 0 "[ . 1 . 2]" 1
970 1 60 TRP HZ3 1 62 CYS HB3 4.480 . 4.480 2.811 2.590 3.161 . 0 0 "[ . 1 . 2]" 1
971 1 61 PHE H 1 61 PHE HB2 3.420 . 3.420 2.704 2.610 2.886 . 0 0 "[ . 1 . 2]" 1
972 1 61 PHE H 1 61 PHE HB3 3.940 . 3.940 3.791 3.734 3.843 . 0 0 "[ . 1 . 2]" 1
973 1 61 PHE H 1 61 PHE QD 4.090 . 4.090 3.143 2.935 3.511 . 0 0 "[ . 1 . 2]" 1
974 1 61 PHE H 1 62 CYS H 4.470 . 4.470 4.296 4.186 4.398 . 0 0 "[ . 1 . 2]" 1
975 1 61 PHE H 1 66 ALA MB 4.990 . 4.990 4.376 3.491 5.004 0.014 13 0 "[ . 1 . 2]" 1
976 1 61 PHE HA 1 61 PHE QD 3.730 . 3.730 2.687 2.516 2.845 . 0 0 "[ . 1 . 2]" 1
977 1 61 PHE HA 1 62 CYS H 3.080 . 3.080 2.172 2.107 2.266 . 0 0 "[ . 1 . 2]" 1
978 1 61 PHE HB2 1 62 CYS H 4.430 . 4.430 3.952 3.667 4.072 . 0 0 "[ . 1 . 2]" 1
979 1 61 PHE HB2 1 65 CYS HB2 5.230 . 5.230 3.988 3.525 4.987 . 0 0 "[ . 1 . 2]" 1
980 1 61 PHE HB2 1 65 CYS HB3 5.250 . 5.250 4.523 3.954 5.339 0.089 19 0 "[ . 1 . 2]" 1
981 1 61 PHE HB2 1 66 ALA H 4.470 . 4.470 3.888 3.411 4.305 . 0 0 "[ . 1 . 2]" 1
982 1 61 PHE HB2 1 66 ALA HA 4.410 . 4.410 3.399 2.580 4.176 . 0 0 "[ . 1 . 2]" 1
983 1 61 PHE HB2 1 66 ALA MB 3.920 . 3.920 2.898 1.878 3.255 . 0 0 "[ . 1 . 2]" 1
984 1 61 PHE HB3 1 62 CYS H 4.140 . 4.140 2.986 2.819 3.117 . 0 0 "[ . 1 . 2]" 1
985 1 61 PHE HB3 1 65 CYS H 5.020 . 5.020 4.122 3.828 4.810 . 0 0 "[ . 1 . 2]" 1
986 1 61 PHE HB3 1 65 CYS HB2 3.700 . 3.700 2.338 2.034 3.519 . 0 0 "[ . 1 . 2]" 1
987 1 61 PHE HB3 1 65 CYS HB3 3.760 . 3.760 2.976 2.421 3.779 0.019 19 0 "[ . 1 . 2]" 1
988 1 61 PHE HB3 1 66 ALA H 4.080 . 4.080 3.350 2.960 3.838 . 0 0 "[ . 1 . 2]" 1
989 1 61 PHE HB3 1 66 ALA HA 4.420 . 4.420 3.722 3.157 4.361 . 0 0 "[ . 1 . 2]" 1
990 1 61 PHE HB3 1 66 ALA MB 3.990 . 3.990 3.533 2.686 4.017 0.027 9 0 "[ . 1 . 2]" 1
991 1 61 PHE QD 1 62 CYS H 4.640 . 4.640 3.937 3.660 4.130 . 0 0 "[ . 1 . 2]" 1
992 1 61 PHE QD 1 65 CYS HB2 4.640 . 4.640 3.265 2.577 4.580 . 0 0 "[ . 1 . 2]" 1
993 1 61 PHE QD 1 65 CYS HB3 4.250 . 4.250 3.271 2.623 4.370 0.120 19 0 "[ . 1 . 2]" 1
994 1 61 PHE QD 1 66 ALA MB 4.550 . 4.550 4.337 3.431 4.622 0.072 13 0 "[ . 1 . 2]" 1
995 1 61 PHE QD 1 69 ILE MD 4.690 . 4.690 3.215 2.038 4.661 . 0 0 "[ . 1 . 2]" 1
996 1 62 CYS H 1 62 CYS HB2 4.010 . 4.010 3.449 3.216 3.587 . 0 0 "[ . 1 . 2]" 1
997 1 62 CYS H 1 62 CYS HB3 3.320 . 3.320 2.515 2.432 2.606 . 0 0 "[ . 1 . 2]" 1
998 1 62 CYS H 1 63 PRO QD 4.740 . 4.740 4.368 4.307 4.439 . 0 0 "[ . 1 . 2]" 1
999 1 62 CYS H 1 64 LYS H 5.080 . 5.080 4.495 4.214 4.765 . 0 0 "[ . 1 . 2]" 1
1000 1 62 CYS H 1 65 CYS H 4.620 . 4.620 3.590 3.361 3.919 . 0 0 "[ . 1 . 2]" 1
1001 1 62 CYS H 1 65 CYS HB2 3.950 . 3.950 2.911 2.706 3.177 . 0 0 "[ . 1 . 2]" 1
1002 1 62 CYS H 1 65 CYS HB3 5.030 . 5.030 4.554 4.319 4.824 . 0 0 "[ . 1 . 2]" 1
1003 1 62 CYS HA 1 63 PRO QD 3.260 . 3.260 2.187 2.151 2.216 . 0 0 "[ . 1 . 2]" 1
1004 1 62 CYS HA 1 63 PRO HG2 4.640 . 4.640 4.442 4.355 4.505 . 0 0 "[ . 1 . 2]" 1
1005 1 62 CYS HA 1 63 PRO HG3 4.660 . 4.660 4.686 4.651 4.712 0.052 1 0 "[ . 1 . 2]" 1
1006 1 62 CYS HB2 1 63 PRO QD 3.750 . 3.750 2.016 1.953 2.199 . 0 0 "[ . 1 . 2]" 1
1007 1 62 CYS HB2 1 63 PRO HG2 4.330 . 4.330 3.282 3.062 3.510 . 0 0 "[ . 1 . 2]" 1
1008 1 62 CYS HB2 1 64 LYS H 4.450 . 4.450 2.659 2.384 2.867 . 0 0 "[ . 1 . 2]" 1
1009 1 62 CYS HB3 1 63 PRO QD 4.110 . 4.110 3.159 3.074 3.244 . 0 0 "[ . 1 . 2]" 1
1010 1 62 CYS HB3 1 64 LYS H 4.500 . 4.500 4.108 3.888 4.299 . 0 0 "[ . 1 . 2]" 1
1011 1 62 CYS SG 1 65 CYS SG 4.000 4.000 4.000 3.725 3.648 3.798 0.352 15 0 "[ . 1 . 2]" 1
1012 1 63 PRO HA 1 66 ALA H 3.990 . 3.990 3.699 3.295 4.080 0.090 19 0 "[ . 1 . 2]" 1
1013 1 63 PRO HA 1 66 ALA MB 3.410 . 3.410 2.512 2.044 3.148 . 0 0 "[ . 1 . 2]" 1
1014 1 63 PRO QB 1 64 LYS H 3.790 . 3.790 3.329 3.116 3.528 . 0 0 "[ . 1 . 2]" 1
1015 1 63 PRO QD 1 64 LYS H 4.020 . 4.020 3.163 3.012 3.331 . 0 0 "[ . 1 . 2]" 1
1016 1 63 PRO HG2 1 64 LYS HG2 3.620 . 3.620 3.084 2.752 3.651 0.031 3 0 "[ . 1 . 2]" 1
1017 1 64 LYS H 1 64 LYS HB2 3.210 . 3.210 2.478 2.316 2.584 . 0 0 "[ . 1 . 2]" 1
1018 1 64 LYS H 1 64 LYS HB3 3.760 . 3.760 3.615 3.547 3.670 . 0 0 "[ . 1 . 2]" 1
1019 1 64 LYS H 1 64 LYS HG2 3.590 . 3.590 2.495 2.074 3.046 . 0 0 "[ . 1 . 2]" 1
1020 1 64 LYS H 1 64 LYS HG3 4.270 . 4.270 3.607 2.592 3.929 . 0 0 "[ . 1 . 2]" 1
1021 1 64 LYS H 1 65 CYS H 3.020 . 3.020 2.519 2.369 2.738 . 0 0 "[ . 1 . 2]" 1
1022 1 64 LYS H 1 66 ALA H 4.180 . 4.180 3.605 3.392 3.798 . 0 0 "[ . 1 . 2]" 1
1023 1 64 LYS HA 1 64 LYS HG2 3.850 . 3.850 2.968 2.445 3.354 . 0 0 "[ . 1 . 2]" 1
1024 1 64 LYS HA 1 64 LYS HG3 3.800 . 3.800 3.778 3.585 3.838 0.038 1 0 "[ . 1 . 2]" 1
1025 1 64 LYS HA 1 67 ASN H 4.690 . 4.690 3.805 3.367 4.298 . 0 0 "[ . 1 . 2]" 1
1026 1 64 LYS HA 1 67 ASN HB2 4.930 . 4.930 3.808 2.979 5.040 0.110 11 0 "[ . 1 . 2]" 1
1027 1 64 LYS HA 1 67 ASN QB 4.290 . 4.290 3.156 2.716 4.093 . 0 0 "[ . 1 . 2]" 1
1028 1 64 LYS HA 1 67 ASN HB3 4.930 . 4.930 3.526 2.840 4.811 . 0 0 "[ . 1 . 2]" 1
1029 1 64 LYS HB2 1 64 LYS QD 3.720 . 3.720 3.347 2.714 3.541 . 0 0 "[ . 1 . 2]" 1
1030 1 64 LYS HB2 1 64 LYS QE 4.340 . 4.340 3.858 2.571 4.387 0.047 7 0 "[ . 1 . 2]" 1
1031 1 64 LYS HB2 1 65 CYS H 3.480 . 3.480 2.444 2.163 2.756 . 0 0 "[ . 1 . 2]" 1
1032 1 64 LYS HB3 1 64 LYS QD 3.550 . 3.550 2.527 2.259 3.020 . 0 0 "[ . 1 . 2]" 1
1033 1 64 LYS HB3 1 65 CYS H 3.930 . 3.930 3.502 3.249 3.811 . 0 0 "[ . 1 . 2]" 1
1034 1 64 LYS QE 1 64 LYS HG3 3.800 . 3.800 2.763 2.315 3.533 . 0 0 "[ . 1 . 2]" 1
1035 1 64 LYS HG2 1 65 CYS H 5.190 . 5.190 4.295 3.844 4.706 . 0 0 "[ . 1 . 2]" 1
1036 1 64 LYS HG3 1 65 CYS H 5.460 . 5.460 4.696 4.156 5.016 . 0 0 "[ . 1 . 2]" 1
1037 1 65 CYS H 1 65 CYS HB2 3.240 . 3.240 2.400 2.168 2.440 . 0 0 "[ . 1 . 2]" 1
1038 1 65 CYS H 1 65 CYS HB3 3.610 . 3.610 3.609 3.513 3.637 0.027 4 0 "[ . 1 . 2]" 1
1039 1 65 CYS H 1 66 ALA H 3.040 . 3.040 2.496 2.301 2.585 . 0 0 "[ . 1 . 2]" 1
1040 1 65 CYS H 1 66 ALA HA 5.500 . 5.500 5.106 4.946 5.193 . 0 0 "[ . 1 . 2]" 1
1041 1 65 CYS H 1 66 ALA MB 4.250 . 4.250 4.195 4.031 4.286 0.036 19 0 "[ . 1 . 2]" 1
1042 1 65 CYS H 1 67 ASN H 4.530 . 4.530 3.967 3.815 4.405 . 0 0 "[ . 1 . 2]" 1
1043 1 65 CYS HA 1 67 ASN H 4.640 . 4.640 3.739 3.461 4.050 . 0 0 "[ . 1 . 2]" 1
1044 1 65 CYS HA 1 68 LYS H 3.930 . 3.930 3.039 2.640 3.448 . 0 0 "[ . 1 . 2]" 1
1045 1 65 CYS HA 1 68 LYS HB2 5.320 . 5.320 3.213 2.600 5.187 . 0 0 "[ . 1 . 2]" 1
1046 1 65 CYS HA 1 68 LYS QB 4.610 . 4.610 3.073 2.572 4.192 . 0 0 "[ . 1 . 2]" 1
1047 1 65 CYS HA 1 68 LYS HB3 5.320 . 5.320 4.343 4.072 4.641 . 0 0 "[ . 1 . 2]" 1
1048 1 65 CYS HA 1 68 LYS QD 4.240 . 4.240 2.677 1.940 4.204 . 0 0 "[ . 1 . 2]" 1
1049 1 65 CYS HA 1 68 LYS QE 4.140 . 4.140 2.468 1.767 3.901 . 0 0 "[ . 1 . 2]" 1
1050 1 65 CYS HA 1 68 LYS HG2 4.390 . 4.390 3.570 2.103 4.423 0.033 18 0 "[ . 1 . 2]" 1
1051 1 65 CYS HA 1 68 LYS QG 3.730 . 3.730 2.220 1.957 2.837 . 0 0 "[ . 1 . 2]" 1
1052 1 65 CYS HA 1 68 LYS HG3 4.390 . 4.390 2.373 1.965 3.691 . 0 0 "[ . 1 . 2]" 1
1053 1 65 CYS HB2 1 66 ALA H 3.720 . 3.720 3.094 2.775 3.242 . 0 0 "[ . 1 . 2]" 1
1054 1 65 CYS HB2 1 66 ALA HA 4.770 . 4.770 4.639 4.460 4.783 0.013 1 0 "[ . 1 . 2]" 1
1055 1 65 CYS HB3 1 66 ALA H 4.110 . 4.110 3.895 3.607 4.055 . 0 0 "[ . 1 . 2]" 1
1056 1 66 ALA H 1 66 ALA MB 2.780 . 2.780 2.235 2.167 2.268 . 0 0 "[ . 1 . 2]" 1
1057 1 66 ALA H 1 67 ASN H 3.450 . 3.450 2.532 2.383 2.758 . 0 0 "[ . 1 . 2]" 1
1058 1 66 ALA H 1 67 ASN QB 5.100 . 5.100 4.317 3.996 4.785 . 0 0 "[ . 1 . 2]" 1
1059 1 66 ALA H 1 68 LYS H 4.640 . 4.640 3.981 3.749 4.339 . 0 0 "[ . 1 . 2]" 1
1060 1 66 ALA HA 1 68 LYS H 4.310 . 4.310 3.924 3.577 4.326 0.016 16 0 "[ . 1 . 2]" 1
1061 1 66 ALA HA 1 69 ILE H 4.660 . 4.660 3.261 2.771 3.498 . 0 0 "[ . 1 . 2]" 1
1062 1 66 ALA HA 1 69 ILE HB 4.320 . 4.320 2.836 2.166 3.347 . 0 0 "[ . 1 . 2]" 1
1063 1 66 ALA HA 1 69 ILE MD 4.390 . 4.390 3.167 2.050 4.039 . 0 0 "[ . 1 . 2]" 1
1064 1 66 ALA HA 1 69 ILE QG 4.640 . 4.640 2.863 1.978 3.740 . 0 0 "[ . 1 . 2]" 1
1065 1 66 ALA MB 1 67 ASN H 3.360 . 3.360 2.768 2.369 3.092 . 0 0 "[ . 1 . 2]" 1
1066 1 66 ALA MB 1 67 ASN HA 4.770 . 4.770 3.928 3.735 4.105 . 0 0 "[ . 1 . 2]" 1
1067 1 66 ALA MB 1 67 ASN QB 4.520 . 4.520 3.955 3.400 4.521 0.001 15 0 "[ . 1 . 2]" 1
1068 1 66 ALA MB 1 67 ASN HD21 5.500 . 5.500 5.235 2.690 5.653 0.153 9 0 "[ . 1 . 2]" 1
1069 1 66 ALA MB 1 68 LYS H 4.750 . 4.750 4.400 4.166 4.651 . 0 0 "[ . 1 . 2]" 1
1070 1 66 ALA MB 1 69 ILE HB 4.150 . 4.150 3.918 3.380 4.187 0.037 15 0 "[ . 1 . 2]" 1
1071 1 66 ALA MB 1 69 ILE MD 4.790 . 4.790 4.195 3.059 4.874 0.084 18 0 "[ . 1 . 2]" 1
1072 1 67 ASN H 1 67 ASN HB2 3.670 . 3.670 2.640 2.364 3.670 . 0 0 "[ . 1 . 2]" 1
1073 1 67 ASN H 1 67 ASN QB 3.110 . 3.110 2.262 2.019 2.542 . 0 0 "[ . 1 . 2]" 1
1074 1 67 ASN H 1 67 ASN HB3 3.670 . 3.670 2.588 2.056 3.643 . 0 0 "[ . 1 . 2]" 1
1075 1 67 ASN H 1 68 LYS H 3.150 . 3.150 2.462 2.271 2.653 . 0 0 "[ . 1 . 2]" 1
1076 1 67 ASN HA 1 68 LYS H 3.560 . 3.560 3.425 3.286 3.534 . 0 0 "[ . 1 . 2]" 1
1077 1 67 ASN HA 1 69 ILE H 4.730 . 4.730 4.250 3.747 4.745 0.015 15 0 "[ . 1 . 2]" 1
1078 1 67 ASN HA 1 70 LYS H 4.430 . 4.430 3.467 2.904 4.030 . 0 0 "[ . 1 . 2]" 1
1079 1 67 ASN HB2 1 68 LYS H 4.160 . 4.160 3.971 3.352 4.228 0.068 1 0 "[ . 1 . 2]" 1
1080 1 67 ASN HB3 1 68 LYS H 4.160 . 4.160 3.098 2.500 4.162 0.002 11 0 "[ . 1 . 2]" 1
1081 1 67 ASN HD21 1 68 LYS H 5.210 . 5.210 4.767 3.077 5.291 0.081 16 0 "[ . 1 . 2]" 1
1082 1 68 LYS H 1 68 LYS HB2 3.660 . 3.660 2.644 2.417 3.696 0.036 11 0 "[ . 1 . 2]" 1
1083 1 68 LYS H 1 68 LYS HB3 3.660 . 3.660 3.551 2.727 3.663 0.003 8 0 "[ . 1 . 2]" 1
1084 1 68 LYS H 1 68 LYS QD 4.230 . 4.230 3.893 3.630 4.298 0.068 13 0 "[ . 1 . 2]" 1
1085 1 68 LYS H 1 68 LYS QE 4.780 . 4.780 4.164 3.440 4.600 . 0 0 "[ . 1 . 2]" 1
1086 1 68 LYS H 1 68 LYS HG2 3.760 . 3.760 3.302 2.137 3.768 0.008 15 0 "[ . 1 . 2]" 1
1087 1 68 LYS H 1 68 LYS QG 3.200 . 3.200 2.256 1.965 2.475 . 0 0 "[ . 1 . 2]" 1
1088 1 68 LYS H 1 68 LYS HG3 3.760 . 3.760 2.459 1.983 3.772 0.012 19 0 "[ . 1 . 2]" 1
1089 1 68 LYS H 1 69 ILE H 3.350 . 3.350 2.413 2.156 2.667 . 0 0 "[ . 1 . 2]" 1
1090 1 68 LYS H 1 70 LYS H 4.580 . 4.580 3.962 3.602 4.354 . 0 0 "[ . 1 . 2]" 1
1091 1 68 LYS HA 1 68 LYS QD 4.300 . 4.300 3.976 2.201 4.255 . 0 0 "[ . 1 . 2]" 1
1092 1 68 LYS HA 1 68 LYS HG2 3.900 . 3.900 2.803 2.446 3.770 . 0 0 "[ . 1 . 2]" 1
1093 1 68 LYS HA 1 68 LYS HG3 3.900 . 3.900 3.244 3.008 3.889 . 0 0 "[ . 1 . 2]" 1
1094 1 68 LYS QB 1 68 LYS QE 3.800 . 3.800 3.087 1.954 3.802 0.002 19 0 "[ . 1 . 2]" 1
1095 1 68 LYS QB 1 69 ILE H 3.530 . 3.530 2.648 2.080 3.549 0.019 11 0 "[ . 1 . 2]" 1
1096 1 68 LYS QB 1 69 ILE HA 4.570 . 4.570 3.963 3.703 4.571 0.001 16 0 "[ . 1 . 2]" 1
1097 1 68 LYS HB2 1 68 LYS QE 4.390 . 4.390 3.421 2.013 4.422 0.032 19 0 "[ . 1 . 2]" 1
1098 1 68 LYS HB2 1 69 ILE H 4.180 . 4.180 2.726 2.104 3.924 . 0 0 "[ . 1 . 2]" 1
1099 1 68 LYS HB3 1 68 LYS QE 4.390 . 4.390 3.590 2.333 4.144 . 0 0 "[ . 1 . 2]" 1
1100 1 68 LYS HB3 1 69 ILE H 4.180 . 4.180 3.739 3.255 4.229 0.049 11 0 "[ . 1 . 2]" 1
1101 1 68 LYS QE 1 68 LYS HG2 3.780 . 3.780 2.725 2.374 3.494 . 0 0 "[ . 1 . 2]" 1
1102 1 68 LYS QE 1 68 LYS QG 3.190 . 3.190 2.263 2.102 2.766 . 0 0 "[ . 1 . 2]" 1
1103 1 68 LYS QE 1 68 LYS HG3 3.780 . 3.780 2.479 2.340 3.045 . 0 0 "[ . 1 . 2]" 1
1104 1 68 LYS QG 1 69 ILE H 4.400 . 4.400 3.805 2.394 4.125 . 0 0 "[ . 1 . 2]" 1
1105 1 69 ILE H 1 69 ILE HB 2.960 . 2.960 2.532 2.404 2.707 . 0 0 "[ . 1 . 2]" 1
1106 1 69 ILE H 1 69 ILE MD 4.270 . 4.270 3.414 2.870 3.810 . 0 0 "[ . 1 . 2]" 1
1107 1 69 ILE H 1 69 ILE HG12 3.540 . 3.540 2.881 1.932 3.562 0.022 10 0 "[ . 1 . 2]" 1
1108 1 69 ILE H 1 69 ILE HG13 3.540 . 3.540 2.726 1.985 3.583 0.043 17 0 "[ . 1 . 2]" 1
1109 1 69 ILE H 1 69 ILE MG 3.910 . 3.910 3.774 3.726 3.820 . 0 0 "[ . 1 . 2]" 1
1110 1 69 ILE H 1 70 LYS H 3.440 . 3.440 2.595 2.124 2.776 . 0 0 "[ . 1 . 2]" 1
1111 1 69 ILE HA 1 69 ILE MD 4.090 . 4.090 3.172 2.018 3.903 . 0 0 "[ . 1 . 2]" 1
1112 1 69 ILE HA 1 69 ILE HG12 3.890 . 3.890 2.796 2.498 3.283 . 0 0 "[ . 1 . 2]" 1
1113 1 69 ILE HA 1 69 ILE HG13 3.890 . 3.890 3.346 3.008 3.862 . 0 0 "[ . 1 . 2]" 1
1114 1 69 ILE HA 1 69 ILE MG 3.340 . 3.340 2.429 2.346 2.512 . 0 0 "[ . 1 . 2]" 1
1115 1 69 ILE HB 1 69 ILE MD 3.500 . 3.500 2.761 2.374 3.260 . 0 0 "[ . 1 . 2]" 1
1116 1 69 ILE HB 1 70 LYS H 3.090 . 3.090 2.447 1.879 3.098 0.008 17 0 "[ . 1 . 2]" 1
1117 1 69 ILE MD 1 69 ILE MG 3.290 . 3.290 1.994 1.930 2.067 . 0 0 "[ . 1 . 2]" 1
1118 1 69 ILE QG 1 70 LYS H 5.160 . 5.160 3.878 3.524 4.266 . 0 0 "[ . 1 . 2]" 1
1119 1 69 ILE HG12 1 69 ILE MG 3.640 . 3.640 2.720 2.354 3.217 . 0 0 "[ . 1 . 2]" 1
1120 1 69 ILE HG13 1 69 ILE MG 3.640 . 3.640 2.870 2.343 3.220 . 0 0 "[ . 1 . 2]" 1
1121 1 69 ILE MG 1 70 LYS H 3.670 . 3.670 3.374 3.051 3.693 0.023 17 0 "[ . 1 . 2]" 1
1122 1 69 ILE MG 1 70 LYS QB 4.770 . 4.770 4.172 3.201 4.798 0.028 7 0 "[ . 1 . 2]" 1
1123 1 70 LYS H 1 70 LYS HB2 3.560 . 3.560 2.864 2.334 3.761 0.201 17 0 "[ . 1 . 2]" 1
1124 1 70 LYS H 1 70 LYS QB 3.110 . 3.110 2.647 2.305 3.250 0.140 15 0 "[ . 1 . 2]" 1
1125 1 70 LYS H 1 70 LYS HB3 3.560 . 3.560 3.439 2.498 3.732 0.172 9 0 "[ . 1 . 2]" 1
1126 1 70 LYS H 1 70 LYS HG2 4.630 . 4.630 3.726 1.942 4.740 0.110 1 0 "[ . 1 . 2]" 1
1127 1 70 LYS H 1 70 LYS QG 4.000 . 4.000 3.012 1.918 4.071 0.071 13 0 "[ . 1 . 2]" 1
1128 1 70 LYS H 1 70 LYS HG3 4.630 . 4.630 3.414 2.277 4.587 . 0 0 "[ . 1 . 2]" 1
1129 1 70 LYS H 1 71 LYS H 4.900 . 4.900 3.616 2.222 4.704 . 0 0 "[ . 1 . 2]" 1
1130 1 70 LYS HA 1 70 LYS QD 4.360 . 4.360 3.886 2.076 4.302 . 0 0 "[ . 1 . 2]" 1
1131 1 70 LYS HA 1 70 LYS HG2 3.840 . 3.840 2.909 2.504 3.800 . 0 0 "[ . 1 . 2]" 1
1132 1 70 LYS HA 1 70 LYS QG 3.220 . 3.220 2.584 2.295 3.312 0.092 17 0 "[ . 1 . 2]" 1
1133 1 70 LYS HA 1 70 LYS HG3 3.840 . 3.840 3.031 2.406 3.780 . 0 0 "[ . 1 . 2]" 1
1134 1 70 LYS HA 1 71 LYS H 3.210 . 3.210 2.574 2.024 3.416 0.206 7 0 "[ . 1 . 2]" 1
1135 1 70 LYS QB 1 70 LYS QE 4.080 . 4.080 2.903 1.894 3.875 . 0 0 "[ . 1 . 2]" 1
1136 1 70 LYS QE 1 70 LYS HG2 3.790 . 3.790 2.936 2.375 3.552 . 0 0 "[ . 1 . 2]" 1
1137 1 70 LYS QE 1 70 LYS HG3 3.790 . 3.790 2.680 2.346 3.541 . 0 0 "[ . 1 . 2]" 1
1138 1 70 LYS QG 1 71 LYS H 4.390 . 4.390 3.697 1.724 4.428 0.038 19 0 "[ . 1 . 2]" 1
1139 1 70 LYS HG2 1 71 LYS H 4.980 . 4.980 4.062 1.731 5.051 0.071 12 0 "[ . 1 . 2]" 1
1140 1 70 LYS HG3 1 71 LYS H 4.980 . 4.980 4.388 3.259 5.054 0.074 9 0 "[ . 1 . 2]" 1
1141 1 71 LYS H 1 71 LYS HB2 3.610 . 3.610 2.933 2.447 3.836 0.226 7 0 "[ . 1 . 2]" 1
1142 1 71 LYS H 1 71 LYS HB3 3.610 . 3.610 3.154 2.347 3.811 0.201 16 0 "[ . 1 . 2]" 1
1143 1 71 LYS H 1 71 LYS QG 4.280 . 4.280 3.447 2.137 4.292 0.012 17 0 "[ . 1 . 2]" 1
1144 1 71 LYS H 1 72 ASP H 4.590 . 4.590 3.035 1.812 4.578 . 0 0 "[ . 1 . 2]" 1
1145 1 71 LYS HA 1 71 LYS QD 4.790 . 4.790 3.496 1.986 4.282 . 0 0 "[ . 1 . 2]" 1
1146 1 71 LYS HA 1 72 ASP H 3.520 . 3.520 2.962 2.089 3.529 0.009 17 0 "[ . 1 . 2]" 1
1147 1 71 LYS QB 1 72 ASP H 3.770 . 3.770 2.882 1.831 3.878 0.108 9 0 "[ . 1 . 2]" 1
1148 1 71 LYS HB2 1 72 ASP H 4.580 . 4.580 3.752 2.512 4.515 . 0 0 "[ . 1 . 2]" 1
1149 1 71 LYS HB3 1 72 ASP H 4.580 . 4.580 3.176 1.874 4.353 . 0 0 "[ . 1 . 2]" 1
1150 1 72 ASP H 1 72 ASP HB2 4.140 . 4.140 3.077 2.400 3.802 . 0 0 "[ . 1 . 2]" 1
1151 1 72 ASP H 1 72 ASP QB 3.400 . 3.400 2.739 2.240 3.412 0.012 3 0 "[ . 1 . 2]" 1
1152 1 72 ASP H 1 72 ASP HB3 4.140 . 4.140 3.270 2.348 4.149 0.009 3 0 "[ . 1 . 2]" 1
1153 1 72 ASP H 1 73 LYS H 4.580 . 4.580 3.419 1.732 4.621 0.041 13 0 "[ . 1 . 2]" 1
1154 1 72 ASP HA 1 73 LYS HA 5.340 . 5.340 4.469 4.272 4.818 . 0 0 "[ . 1 . 2]" 1
1155 1 72 ASP QB 1 73 LYS H 3.980 . 3.980 3.152 1.920 4.018 0.038 1 0 "[ . 1 . 2]" 1
1156 1 72 ASP HB2 1 73 LYS H 4.580 . 4.580 3.887 1.965 4.512 . 0 0 "[ . 1 . 2]" 1
1157 1 72 ASP HB3 1 73 LYS H 4.580 . 4.580 3.496 2.162 4.509 . 0 0 "[ . 1 . 2]" 1
1158 1 73 LYS H 1 73 LYS HB2 3.880 . 3.880 3.161 2.405 3.937 0.057 3 0 "[ . 1 . 2]" 1
1159 1 73 LYS H 1 73 LYS QB 3.300 . 3.300 2.674 2.224 3.298 . 0 0 "[ . 1 . 2]" 1
1160 1 73 LYS H 1 73 LYS HB3 3.880 . 3.880 3.161 2.385 3.824 . 0 0 "[ . 1 . 2]" 1
1161 1 73 LYS H 1 73 LYS QG 4.120 . 4.120 3.014 1.901 4.210 0.090 16 0 "[ . 1 . 2]" 1
1162 1 73 LYS HA 1 73 LYS QD 5.110 . 5.110 4.065 2.970 4.504 . 0 0 "[ . 1 . 2]" 1
1163 1 74 LYS H 1 74 LYS QB 3.590 . 3.590 2.692 2.194 3.318 . 0 0 "[ . 1 . 2]" 1
1164 1 74 LYS HA 1 75 HIS H 3.070 . 3.070 2.483 2.119 3.296 0.226 17 0 "[ . 1 . 2]" 1
1165 1 74 LYS QB 1 75 HIS H 4.290 . 4.290 3.318 2.059 3.958 . 0 0 "[ . 1 . 2]" 1
1166 1 74 LYS QG 1 75 HIS QB 4.080 . 4.080 3.941 3.061 4.196 0.116 14 0 "[ . 1 . 2]" 1
1167 1 75 HIS H 1 75 HIS QB 3.540 . 3.540 2.570 2.347 3.439 . 0 0 "[ . 1 . 2]" 1
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