NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
614676 |
5ix5   |
30039 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ix5
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 645
_Distance_constraint_stats_list.Viol_count 1319
_Distance_constraint_stats_list.Viol_total 1999.326
_Distance_constraint_stats_list.Viol_max 0.554
_Distance_constraint_stats_list.Viol_rms 0.0412
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0758
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASP 1.399 0.091 5 0 "[ . 1 . 2]"
1 5 PHE 1.428 0.091 5 0 "[ . 1 . 2]"
1 6 SER 0.098 0.017 7 0 "[ . 1 . 2]"
1 7 THR 1.819 0.083 16 0 "[ . 1 . 2]"
1 8 CYS 1.816 0.083 16 0 "[ . 1 . 2]"
1 9 ALA 0.013 0.006 5 0 "[ . 1 . 2]"
1 10 ARG 0.098 0.011 13 0 "[ . 1 . 2]"
1 11 MET 0.086 0.011 13 0 "[ . 1 . 2]"
1 12 ASP 2.917 0.170 7 0 "[ . 1 . 2]"
1 13 VAL 2.917 0.170 7 0 "[ . 1 . 2]"
1 14 PRO 0.241 0.022 19 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.241 0.022 19 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 0.518 0.063 5 0 "[ . 1 . 2]"
1 21 GLN 1.815 0.069 15 0 "[ . 1 . 2]"
1 22 GLY 0.090 0.020 5 0 "[ . 1 . 2]"
1 23 LEU 12.258 0.540 14 15 "[*-*** ***1* *+.****2]"
1 24 CYS 14.671 0.405 6 0 "[ . 1 . 2]"
1 25 ILE 2.701 0.159 19 0 "[ . 1 . 2]"
1 26 THR 16.291 0.405 6 0 "[ . 1 . 2]"
1 27 SER 16.145 0.540 14 15 "[*-*** ***1* *+.****2]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 SER 1.521 0.099 17 0 "[ . 1 . 2]"
1 30 MET 0.183 0.011 19 0 "[ . 1 . 2]"
1 31 GLN 2.912 0.178 9 0 "[ . 1 . 2]"
1 32 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 8.186 0.225 19 0 "[ . 1 . 2]"
1 34 GLY 1.315 0.071 11 0 "[ . 1 . 2]"
1 35 THR 3.419 0.159 19 0 "[ . 1 . 2]"
1 36 GLY 0.588 0.026 19 0 "[ . 1 . 2]"
1 37 SER 3.171 0.085 7 0 "[ . 1 . 2]"
1 38 CYS 0.241 0.039 4 0 "[ . 1 . 2]"
1 39 LYS 0.287 0.039 4 0 "[ . 1 . 2]"
1 40 LYS 0.395 0.043 16 0 "[ . 1 . 2]"
1 41 ARG 0.040 0.023 13 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 1.647 0.121 13 0 "[ . 1 . 2]"
1 44 ARG 0.038 0.007 10 0 "[ . 1 . 2]"
1 45 PRO 1.907 0.121 13 0 "[ . 1 . 2]"
1 46 THR 0.289 0.023 19 0 "[ . 1 . 2]"
1 47 CYS 0.148 0.027 10 0 "[ . 1 . 2]"
1 48 VAL 4.809 0.245 4 0 "[ . 1 . 2]"
1 49 CYS 4.300 0.203 18 0 "[ . 1 . 2]"
1 50 TYR 6.134 0.098 19 0 "[ . 1 . 2]"
1 51 ARG 2.619 0.070 11 0 "[ . 1 . 2]"
1 52 CYS 11.805 0.248 11 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.400 0.026 1 0 "[ . 1 . 2]"
1 57 GLY 2.981 0.195 9 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 17.020 0.425 9 0 "[ . 1 . 2]"
1 60 PRO 4.697 0.245 4 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 6.777 0.425 9 0 "[ . 1 . 2]"
1 64 LEU 1.888 0.122 16 0 "[ . 1 . 2]"
1 65 ILE 1.144 0.128 9 0 "[ . 1 . 2]"
1 66 LYS 3.158 0.140 5 0 "[ . 1 . 2]"
1 67 ARG 12.625 0.554 6 10 "[ ** .+* 1 ** .*-* *]"
1 68 GLY 10.083 0.554 6 10 "[ ** .+* 1 ** .*-* *]"
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 MET HA 1 1 MET QG . . 3.000 2.203 2.042 2.404 . 0 0 "[ . 1 . 2]" 1
2 1 3 ILE H 1 3 ILE HB . . 2.910 2.816 2.783 2.903 . 0 0 "[ . 1 . 2]" 1
3 1 3 ILE H 1 3 ILE HG12 . . 3.720 3.389 3.045 3.623 . 0 0 "[ . 1 . 2]" 1
4 1 3 ILE H 1 3 ILE QG . . 2.990 2.178 1.930 2.325 . 0 0 "[ . 1 . 2]" 1
5 1 3 ILE H 1 3 ILE HG13 . . 3.720 2.205 1.952 2.353 . 0 0 "[ . 1 . 2]" 1
6 1 3 ILE HA 1 3 ILE HG12 . . 3.610 3.125 2.755 3.587 . 0 0 "[ . 1 . 2]" 1
7 1 3 ILE HA 1 3 ILE QG . . 3.010 2.612 2.567 2.663 . 0 0 "[ . 1 . 2]" 1
8 1 3 ILE HA 1 3 ILE HG13 . . 3.610 3.026 2.633 3.368 . 0 0 "[ . 1 . 2]" 1
9 1 3 ILE HA 1 3 ILE MG . . 2.730 2.105 2.056 2.172 . 0 0 "[ . 1 . 2]" 1
10 1 3 ILE HA 1 4 ASP H . . 2.500 2.399 2.392 2.406 . 0 0 "[ . 1 . 2]" 1
11 1 3 ILE HA 1 4 ASP QB . . 4.750 4.210 3.912 4.551 . 0 0 "[ . 1 . 2]" 1
12 1 3 ILE HB 1 4 ASP H . . 3.550 3.264 3.215 3.290 . 0 0 "[ . 1 . 2]" 1
13 1 3 ILE MG 1 4 ASP H . . 2.760 1.894 1.865 1.951 . 0 0 "[ . 1 . 2]" 1
14 1 3 ILE MG 1 5 PHE H . . 4.580 3.254 1.875 4.578 . 0 0 "[ . 1 . 2]" 1
15 1 4 ASP H 1 4 ASP QB . . 2.840 2.590 2.299 2.838 . 0 0 "[ . 1 . 2]" 1
16 1 4 ASP HA 1 5 PHE H . . 3.230 2.738 2.146 3.321 0.091 5 0 "[ . 1 . 2]" 1
17 1 4 ASP QB 1 5 PHE H . . 3.230 3.228 3.102 3.287 0.057 10 0 "[ . 1 . 2]" 1
18 1 5 PHE H 1 5 PHE QB . . 2.870 2.267 2.241 2.322 . 0 0 "[ . 1 . 2]" 1
19 1 5 PHE HA 1 5 PHE QD . . 3.230 2.488 2.078 2.934 . 0 0 "[ . 1 . 2]" 1
20 1 5 PHE QB 1 6 SER H . . 3.840 2.770 2.235 3.318 . 0 0 "[ . 1 . 2]" 1
21 1 5 PHE QD 1 6 SER HB2 . . 5.450 4.785 3.619 5.453 0.003 17 0 "[ . 1 . 2]" 1
22 1 5 PHE QD 1 6 SER QB . . 4.690 3.567 3.002 4.041 . 0 0 "[ . 1 . 2]" 1
23 1 5 PHE QD 1 6 SER HB3 . . 5.450 3.868 3.044 5.181 . 0 0 "[ . 1 . 2]" 1
24 1 5 PHE QD 1 44 ARG QD . . 4.790 4.361 3.146 4.779 . 0 0 "[ . 1 . 2]" 1
25 1 5 PHE QD 1 45 PRO HD2 . . 4.820 4.031 3.469 4.601 . 0 0 "[ . 1 . 2]" 1
26 1 5 PHE QD 1 45 PRO HD3 . . 5.070 4.932 4.637 5.074 0.004 2 0 "[ . 1 . 2]" 1
27 1 5 PHE QE 1 6 SER QB . . 5.200 4.827 4.449 4.933 . 0 0 "[ . 1 . 2]" 1
28 1 5 PHE QE 1 44 ARG HA . . 4.790 4.224 3.660 4.797 0.007 10 0 "[ . 1 . 2]" 1
29 1 5 PHE QE 1 44 ARG QD . . 4.110 2.720 1.988 3.771 . 0 0 "[ . 1 . 2]" 1
30 1 5 PHE QE 1 45 PRO HD2 . . 4.960 2.993 2.171 4.182 . 0 0 "[ . 1 . 2]" 1
31 1 6 SER H 1 6 SER QB . . 3.360 2.738 2.320 3.372 0.012 10 0 "[ . 1 . 2]" 1
32 1 6 SER H 1 7 THR H . . 4.390 4.217 3.601 4.407 0.017 7 0 "[ . 1 . 2]" 1
33 1 6 SER H 1 7 THR MG . . 4.500 4.348 3.523 4.509 0.009 2 0 "[ . 1 . 2]" 1
34 1 6 SER HA 1 6 SER QB . . 2.550 2.220 2.158 2.380 . 0 0 "[ . 1 . 2]" 1
35 1 6 SER HA 1 7 THR HA . . 5.050 4.381 4.343 4.438 . 0 0 "[ . 1 . 2]" 1
36 1 7 THR H 1 20 ALA MB . . 4.810 4.820 4.627 4.873 0.063 5 0 "[ . 1 . 2]" 1
37 1 7 THR HA 1 7 THR MG . . 2.990 2.006 1.955 2.143 . 0 0 "[ . 1 . 2]" 1
38 1 7 THR HA 1 20 ALA HA . . 4.180 4.085 3.992 4.210 0.030 7 0 "[ . 1 . 2]" 1
39 1 7 THR HA 1 20 ALA MB . . 4.390 4.083 4.012 4.368 . 0 0 "[ . 1 . 2]" 1
40 1 7 THR HA 1 23 LEU QB . . 3.730 3.264 3.008 3.544 . 0 0 "[ . 1 . 2]" 1
41 1 7 THR HA 1 23 LEU QD . . 3.180 2.012 1.942 2.404 . 0 0 "[ . 1 . 2]" 1
42 1 7 THR HA 1 47 CYS HB2 . . 5.500 5.448 5.229 5.527 0.027 10 0 "[ . 1 . 2]" 1
43 1 7 THR HB 1 23 LEU QB . . 3.630 2.984 2.586 3.548 . 0 0 "[ . 1 . 2]" 1
44 1 7 THR HB 1 23 LEU QD . . 3.870 3.445 3.287 3.771 . 0 0 "[ . 1 . 2]" 1
45 1 7 THR HB 1 47 CYS HA . . 4.950 4.792 4.714 4.817 . 0 0 "[ . 1 . 2]" 1
46 1 7 THR HB 1 47 CYS HB2 . . 3.920 2.838 2.648 2.987 . 0 0 "[ . 1 . 2]" 1
47 1 7 THR HB 1 47 CYS HB3 . . 4.390 4.137 4.006 4.238 . 0 0 "[ . 1 . 2]" 1
48 1 7 THR MG 1 8 CYS H . . 4.370 4.413 4.035 4.453 0.083 16 0 "[ . 1 . 2]" 1
49 1 8 CYS H 1 9 ALA H . . 4.690 4.439 4.427 4.601 . 0 0 "[ . 1 . 2]" 1
50 1 8 CYS H 1 10 ARG H . . 4.900 4.584 4.423 4.888 . 0 0 "[ . 1 . 2]" 1
51 1 8 CYS HA 1 20 ALA MB . . 3.520 2.670 2.590 2.803 . 0 0 "[ . 1 . 2]" 1
52 1 8 CYS HA 1 21 GLN HA . . 4.560 3.828 3.720 3.936 . 0 0 "[ . 1 . 2]" 1
53 1 8 CYS HA 1 24 CYS HB2 . . 5.310 5.341 5.325 5.372 0.062 8 0 "[ . 1 . 2]" 1
54 1 8 CYS QB 1 45 PRO HA . . 5.310 3.172 3.048 3.253 . 0 0 "[ . 1 . 2]" 1
55 1 9 ALA H 1 9 ALA MB . . 2.400 2.165 2.051 2.220 . 0 0 "[ . 1 . 2]" 1
56 1 9 ALA H 1 10 ARG H . . 2.970 2.555 2.504 2.586 . 0 0 "[ . 1 . 2]" 1
57 1 9 ALA H 1 10 ARG QD . . 4.660 4.621 4.559 4.660 . 14 0 "[ . 1 . 2]" 1
58 1 9 ALA H 1 10 ARG QG . . 3.640 3.622 3.596 3.646 0.006 5 0 "[ . 1 . 2]" 1
59 1 9 ALA HA 1 10 ARG HA . . 4.950 4.638 4.626 4.653 . 0 0 "[ . 1 . 2]" 1
60 1 9 ALA MB 1 10 ARG H . . 3.240 3.119 2.978 3.181 . 0 0 "[ . 1 . 2]" 1
61 1 9 ALA MB 1 10 ARG HA . . 4.170 3.954 3.916 3.979 . 0 0 "[ . 1 . 2]" 1
62 1 10 ARG H 1 10 ARG QB . . 2.970 2.565 2.542 2.614 . 0 0 "[ . 1 . 2]" 1
63 1 10 ARG H 1 10 ARG QD . . 3.510 3.382 3.275 3.437 . 0 0 "[ . 1 . 2]" 1
64 1 10 ARG H 1 10 ARG QG . . 2.570 2.233 2.165 2.274 . 0 0 "[ . 1 . 2]" 1
65 1 10 ARG H 1 11 MET H . . 2.790 2.784 2.634 2.801 0.011 13 0 "[ . 1 . 2]" 1
66 1 10 ARG HA 1 10 ARG HD2 . . 3.430 2.253 2.098 2.577 . 0 0 "[ . 1 . 2]" 1
67 1 10 ARG HA 1 10 ARG QD . . 2.970 2.173 2.065 2.283 . 0 0 "[ . 1 . 2]" 1
68 1 10 ARG HA 1 10 ARG HD3 . . 3.430 2.944 2.541 3.144 . 0 0 "[ . 1 . 2]" 1
69 1 10 ARG HA 1 11 MET H . . 3.410 2.991 2.980 3.107 . 0 0 "[ . 1 . 2]" 1
70 1 10 ARG QB 1 10 ARG QD . . 3.070 2.279 2.240 2.327 . 0 0 "[ . 1 . 2]" 1
71 1 10 ARG QB 1 11 MET HA . . 5.030 4.210 4.181 4.248 . 0 0 "[ . 1 . 2]" 1
72 1 11 MET HA 1 11 MET QB . . 2.620 2.510 2.367 2.539 . 0 0 "[ . 1 . 2]" 1
73 1 11 MET HA 1 11 MET QG . . 3.540 2.275 2.156 2.433 . 0 0 "[ . 1 . 2]" 1
74 1 11 MET HA 1 12 ASP QB . . 4.910 4.347 4.287 4.382 . 0 0 "[ . 1 . 2]" 1
75 1 11 MET HA 1 40 LYS QE . . 5.310 3.180 1.983 3.895 . 0 0 "[ . 1 . 2]" 1
76 1 11 MET HA 1 45 PRO QB . . 5.310 3.287 2.579 3.791 . 0 0 "[ . 1 . 2]" 1
77 1 12 ASP H 1 12 ASP QB . . 3.200 2.452 2.077 2.850 . 0 0 "[ . 1 . 2]" 1
78 1 12 ASP H 1 13 VAL H . . 2.510 2.208 1.838 2.571 0.061 13 0 "[ . 1 . 2]" 1
79 1 12 ASP H 1 13 VAL QG . . 3.320 3.287 3.143 3.361 0.041 13 0 "[ . 1 . 2]" 1
80 1 12 ASP HA 1 13 VAL H . . 3.360 3.466 3.387 3.530 0.170 7 0 "[ . 1 . 2]" 1
81 1 12 ASP QB 1 13 VAL HA . . 5.340 4.107 4.070 4.197 . 0 0 "[ . 1 . 2]" 1
82 1 13 VAL H 1 13 VAL QG . . 2.400 1.912 1.872 2.001 . 0 0 "[ . 1 . 2]" 1
83 1 13 VAL HA 1 14 PRO QB . . 5.080 4.763 4.680 4.794 . 0 0 "[ . 1 . 2]" 1
84 1 13 VAL HA 1 14 PRO QD . . 2.790 1.973 1.888 2.011 . 0 0 "[ . 1 . 2]" 1
85 1 13 VAL QG 1 14 PRO HA . . 4.710 4.297 3.901 4.378 . 0 0 "[ . 1 . 2]" 1
86 1 13 VAL QG 1 14 PRO QD . . 3.820 3.367 3.140 3.410 . 0 0 "[ . 1 . 2]" 1
87 1 14 PRO HA 1 17 LYS HA . . 5.090 4.138 3.710 4.838 . 0 0 "[ . 1 . 2]" 1
88 1 14 PRO HA 1 17 LYS QD . . 4.410 4.288 1.975 4.432 0.022 19 0 "[ . 1 . 2]" 1
89 1 14 PRO HA 1 17 LYS HE2 . . 4.150 3.859 3.004 4.165 0.015 2 0 "[ . 1 . 2]" 1
90 1 14 PRO HA 1 17 LYS QE . . 3.470 3.398 2.671 3.485 0.015 19 0 "[ . 1 . 2]" 1
91 1 14 PRO HA 1 17 LYS HE3 . . 4.150 3.904 2.704 4.153 0.003 11 0 "[ . 1 . 2]" 1
92 1 14 PRO HA 1 17 LYS QG . . 3.930 3.324 2.600 3.729 . 0 0 "[ . 1 . 2]" 1
93 1 14 PRO QB 1 17 LYS QE . . 4.450 2.313 1.898 2.848 . 0 0 "[ . 1 . 2]" 1
94 1 14 PRO QD 1 15 ILE QG . . 4.830 3.542 3.118 4.613 . 0 0 "[ . 1 . 2]" 1
95 1 17 LYS HA 1 17 LYS QD . . 4.020 3.415 2.457 3.980 . 0 0 "[ . 1 . 2]" 1
96 1 17 LYS HA 1 17 LYS QE . . 4.450 4.223 3.365 4.427 . 0 0 "[ . 1 . 2]" 1
97 1 17 LYS HA 1 17 LYS QG . . 2.980 2.391 2.200 2.876 . 0 0 "[ . 1 . 2]" 1
98 1 17 LYS QE 1 17 LYS QG . . 3.000 2.113 1.995 2.387 . 0 0 "[ . 1 . 2]" 1
99 1 18 LYS HA 1 18 LYS QB . . 2.600 2.488 2.180 2.539 . 0 0 "[ . 1 . 2]" 1
100 1 18 LYS QE 1 18 LYS QG . . 3.310 2.116 1.949 2.347 . 0 0 "[ . 1 . 2]" 1
101 1 19 ALA HA 1 22 GLY HA3 . . 4.530 3.710 3.595 3.818 . 0 0 "[ . 1 . 2]" 1
102 1 20 ALA H 1 20 ALA HA . . 2.920 2.808 2.770 2.829 . 0 0 "[ . 1 . 2]" 1
103 1 20 ALA H 1 20 ALA MB . . 2.540 2.106 2.078 2.161 . 0 0 "[ . 1 . 2]" 1
104 1 20 ALA MB 1 21 GLN H . . 2.710 2.477 2.454 2.501 . 0 0 "[ . 1 . 2]" 1
105 1 20 ALA MB 1 21 GLN HA . . 3.740 3.711 3.687 3.735 . 0 0 "[ . 1 . 2]" 1
106 1 20 ALA MB 1 22 GLY H . . 4.320 4.321 4.299 4.340 0.020 5 0 "[ . 1 . 2]" 1
107 1 21 GLN H 1 21 GLN QB . . 2.620 2.078 2.066 2.085 . 0 0 "[ . 1 . 2]" 1
108 1 21 GLN H 1 22 GLY H . . 2.900 2.590 2.540 2.637 . 0 0 "[ . 1 . 2]" 1
109 1 21 GLN H 1 24 CYS QB . . 5.490 5.529 5.507 5.546 0.056 11 0 "[ . 1 . 2]" 1
110 1 21 GLN HA 1 21 GLN QB . . 2.590 2.525 2.523 2.529 . 0 0 "[ . 1 . 2]" 1
111 1 21 GLN HA 1 21 GLN HG2 . . 3.540 2.644 2.618 2.677 . 0 0 "[ . 1 . 2]" 1
112 1 21 GLN HA 1 21 GLN QG . . 2.910 2.223 2.215 2.233 . 0 0 "[ . 1 . 2]" 1
113 1 21 GLN HA 1 21 GLN HG3 . . 3.540 2.392 2.362 2.415 . 0 0 "[ . 1 . 2]" 1
114 1 21 GLN HA 1 24 CYS HB2 . . 3.280 3.118 3.099 3.138 . 0 0 "[ . 1 . 2]" 1
115 1 21 GLN HA 1 24 CYS HB3 . . 4.280 4.332 4.308 4.349 0.069 15 0 "[ . 1 . 2]" 1
116 1 21 GLN QB 1 22 GLY H . . 3.050 2.909 2.881 2.945 . 0 0 "[ . 1 . 2]" 1
117 1 21 GLN QB 1 22 GLY HA2 . . 4.770 3.843 3.837 3.848 . 0 0 "[ . 1 . 2]" 1
118 1 21 GLN QB 1 24 CYS H . . 4.960 4.543 4.527 4.559 . 0 0 "[ . 1 . 2]" 1
119 1 22 GLY H 1 22 GLY QA . . 2.440 2.192 2.191 2.193 . 0 0 "[ . 1 . 2]" 1
120 1 22 GLY H 1 24 CYS QB . . 5.320 5.131 5.122 5.142 . 0 0 "[ . 1 . 2]" 1
121 1 22 GLY QA 1 23 LEU H . . 2.920 2.809 2.807 2.811 . 0 0 "[ . 1 . 2]" 1
122 1 22 GLY QA 1 24 CYS H . . 3.670 3.217 3.213 3.222 . 0 0 "[ . 1 . 2]" 1
123 1 22 GLY HA2 1 25 ILE HB . . 4.280 3.001 2.975 3.030 . 0 0 "[ . 1 . 2]" 1
124 1 23 LEU H 1 23 LEU HA . . 2.920 2.855 2.853 2.857 . 0 0 "[ . 1 . 2]" 1
125 1 23 LEU H 1 23 LEU QB . . 2.710 2.483 2.308 2.556 . 0 0 "[ . 1 . 2]" 1
126 1 23 LEU H 1 23 LEU QD . . 2.870 2.678 2.497 2.736 . 0 0 "[ . 1 . 2]" 1
127 1 23 LEU H 1 24 CYS QB . . 4.100 4.128 4.119 4.135 0.035 19 0 "[ . 1 . 2]" 1
128 1 23 LEU H 1 25 ILE H . . 4.900 4.494 4.489 4.499 . 0 0 "[ . 1 . 2]" 1
129 1 23 LEU H 1 27 SER H . . 4.810 5.324 5.275 5.350 0.540 14 15 "[*-*** ***1* *+.****2]" 1
130 1 23 LEU HA 1 27 SER HB2 . . 3.350 2.910 2.808 2.979 . 0 0 "[ . 1 . 2]" 1
131 1 23 LEU QB 1 24 CYS H . . 3.570 3.435 3.412 3.448 . 0 0 "[ . 1 . 2]" 1
132 1 23 LEU QB 1 27 SER HB2 . . 4.510 3.848 3.804 3.880 . 0 0 "[ . 1 . 2]" 1
133 1 23 LEU HB2 1 27 SER HB2 . . 5.130 4.904 4.842 5.013 . 0 0 "[ . 1 . 2]" 1
134 1 23 LEU HB3 1 27 SER HB2 . . 5.130 4.024 3.949 4.070 . 0 0 "[ . 1 . 2]" 1
135 1 23 LEU QD 1 24 CYS H . . 4.270 4.256 4.218 4.367 0.097 20 0 "[ . 1 . 2]" 1
136 1 23 LEU QD 1 27 SER HB2 . . 4.190 4.240 4.211 4.315 0.125 12 0 "[ . 1 . 2]" 1
137 1 23 LEU HG 1 24 CYS H . . 4.980 4.690 4.602 4.865 . 0 0 "[ . 1 . 2]" 1
138 1 24 CYS H 1 24 CYS QB . . 3.010 2.425 2.415 2.432 . 0 0 "[ . 1 . 2]" 1
139 1 24 CYS H 1 25 ILE H . . 2.880 2.156 2.151 2.159 . 0 0 "[ . 1 . 2]" 1
140 1 24 CYS H 1 25 ILE MD . . 4.090 3.253 3.236 3.271 . 0 0 "[ . 1 . 2]" 1
141 1 24 CYS H 1 26 THR H . . 3.840 3.330 3.325 3.339 . 0 0 "[ . 1 . 2]" 1
142 1 24 CYS H 1 26 THR HB . . 4.170 4.562 4.550 4.575 0.405 6 0 "[ . 1 . 2]" 1
143 1 24 CYS H 1 27 SER H . . 3.880 3.632 3.607 3.657 . 0 0 "[ . 1 . 2]" 1
144 1 24 CYS HA 1 27 SER H . . 4.120 3.778 3.765 3.802 . 0 0 "[ . 1 . 2]" 1
145 1 24 CYS HA 1 27 SER HB2 . . 4.070 3.287 3.264 3.331 . 0 0 "[ . 1 . 2]" 1
146 1 24 CYS HA 1 27 SER HB3 . . 3.110 2.857 2.831 2.887 . 0 0 "[ . 1 . 2]" 1
147 1 24 CYS QB 1 25 ILE H . . 3.080 2.469 2.459 2.477 . 0 0 "[ . 1 . 2]" 1
148 1 24 CYS QB 1 26 THR H . . 4.580 4.643 4.640 4.646 0.066 17 0 "[ . 1 . 2]" 1
149 1 24 CYS HB2 1 27 SER HB3 . . 5.500 5.606 5.588 5.630 0.130 7 0 "[ . 1 . 2]" 1
150 1 25 ILE H 1 25 ILE HB . . 2.520 2.524 2.514 2.536 0.016 10 0 "[ . 1 . 2]" 1
151 1 25 ILE H 1 25 ILE MD . . 2.590 2.071 2.043 2.093 . 0 0 "[ . 1 . 2]" 1
152 1 25 ILE HA 1 25 ILE HG13 . . 3.080 2.329 2.319 2.343 . 0 0 "[ . 1 . 2]" 1
153 1 25 ILE HA 1 25 ILE MG . . 2.770 2.377 2.355 2.396 . 0 0 "[ . 1 . 2]" 1
154 1 25 ILE HA 1 26 THR HA . . 4.760 4.704 4.701 4.707 . 0 0 "[ . 1 . 2]" 1
155 1 25 ILE HA 1 27 SER H . . 4.770 4.601 4.591 4.610 . 0 0 "[ . 1 . 2]" 1
156 1 25 ILE HA 1 28 CYS H . . 3.970 3.877 3.870 3.884 . 0 0 "[ . 1 . 2]" 1
157 1 25 ILE HA 1 28 CYS HB2 . . 3.430 3.262 3.252 3.273 . 0 0 "[ . 1 . 2]" 1
158 1 25 ILE HA 1 35 THR HA . . 3.740 3.233 3.151 3.360 . 0 0 "[ . 1 . 2]" 1
159 1 25 ILE HA 1 36 GLY H . . 3.170 2.823 2.742 2.943 . 0 0 "[ . 1 . 2]" 1
160 1 25 ILE HA 1 36 GLY HA2 . . 4.720 4.591 4.562 4.625 . 0 0 "[ . 1 . 2]" 1
161 1 25 ILE HA 1 36 GLY HA3 . . 3.680 3.266 3.254 3.278 . 0 0 "[ . 1 . 2]" 1
162 1 25 ILE HB 1 26 THR H . . 2.660 2.471 2.466 2.479 . 0 0 "[ . 1 . 2]" 1
163 1 25 ILE HB 1 26 THR HA . . 4.730 4.307 4.296 4.317 . 0 0 "[ . 1 . 2]" 1
164 1 25 ILE HB 1 27 SER H . . 5.130 4.811 4.803 4.821 . 0 0 "[ . 1 . 2]" 1
165 1 25 ILE MD 1 37 SER HA . . 4.400 3.544 3.497 3.562 . 0 0 "[ . 1 . 2]" 1
166 1 25 ILE MD 1 38 CYS H . . 4.500 4.460 4.371 4.509 0.009 10 0 "[ . 1 . 2]" 1
167 1 25 ILE HG13 1 35 THR HA . . 4.180 4.308 4.288 4.339 0.159 19 0 "[ . 1 . 2]" 1
168 1 25 ILE HG13 1 37 SER HA . . 4.950 4.096 4.072 4.122 . 0 0 "[ . 1 . 2]" 1
169 1 25 ILE MG 1 26 THR HA . . 3.390 3.373 3.359 3.383 . 0 0 "[ . 1 . 2]" 1
170 1 25 ILE MG 1 35 THR HA . . 3.390 2.837 2.780 2.968 . 0 0 "[ . 1 . 2]" 1
171 1 26 THR H 1 26 THR HB . . 2.430 2.134 2.132 2.136 . 0 0 "[ . 1 . 2]" 1
172 1 26 THR HA 1 26 THR MG . . 2.740 2.890 2.886 2.894 0.154 7 0 "[ . 1 . 2]" 1
173 1 26 THR HA 1 29 SER HA . . 5.500 5.374 5.360 5.386 . 0 0 "[ . 1 . 2]" 1
174 1 26 THR HB 1 27 SER H . . 3.030 3.168 3.160 3.173 0.143 7 0 "[ . 1 . 2]" 1
175 1 26 THR MG 1 27 SER H . . 3.080 2.451 2.443 2.458 . 0 0 "[ . 1 . 2]" 1
176 1 26 THR MG 1 27 SER HA . . 3.940 2.797 2.795 2.799 . 0 0 "[ . 1 . 2]" 1
177 1 26 THR MG 1 27 SER HB2 . . 3.840 3.379 3.370 3.386 . 0 0 "[ . 1 . 2]" 1
178 1 26 THR MG 1 27 SER HB3 . . 5.030 4.490 4.473 4.501 . 0 0 "[ . 1 . 2]" 1
179 1 26 THR MG 1 28 CYS H . . 4.520 4.290 4.280 4.300 . 0 0 "[ . 1 . 2]" 1
180 1 26 THR MG 1 29 SER H . . 4.460 4.531 4.516 4.559 0.099 17 0 "[ . 1 . 2]" 1
181 1 26 THR MG 1 30 MET H . . 4.540 4.245 4.199 4.276 . 0 0 "[ . 1 . 2]" 1
182 1 27 SER H 1 27 SER QB . . 2.700 2.160 2.153 2.173 . 0 0 "[ . 1 . 2]" 1
183 1 27 SER H 1 28 CYS H . . 2.850 2.657 2.651 2.665 . 0 0 "[ . 1 . 2]" 1
184 1 27 SER H 1 28 CYS QB . . 4.580 4.343 4.335 4.353 . 0 0 "[ . 1 . 2]" 1
185 1 27 SER HA 1 30 MET HB2 . . 4.110 3.574 3.514 3.616 . 0 0 "[ . 1 . 2]" 1
186 1 27 SER HA 1 30 MET HB3 . . 5.150 4.812 4.770 4.845 . 0 0 "[ . 1 . 2]" 1
187 1 27 SER HA 1 30 MET QG . . 3.440 2.190 2.181 2.203 . 0 0 "[ . 1 . 2]" 1
188 1 27 SER HB2 1 30 MET QG . . 5.150 4.690 4.659 4.709 . 0 0 "[ . 1 . 2]" 1
189 1 27 SER HB3 1 30 MET QG . . 5.500 4.880 4.870 4.897 . 0 0 "[ . 1 . 2]" 1
190 1 28 CYS H 1 28 CYS HA . . 2.880 2.854 2.853 2.858 . 0 0 "[ . 1 . 2]" 1
191 1 28 CYS H 1 28 CYS QB . . 2.540 2.074 2.071 2.076 . 0 0 "[ . 1 . 2]" 1
192 1 28 CYS H 1 29 SER H . . 2.730 2.555 2.546 2.567 . 0 0 "[ . 1 . 2]" 1
193 1 28 CYS H 1 30 MET H . . 4.290 3.983 3.967 3.999 . 0 0 "[ . 1 . 2]" 1
194 1 28 CYS H 1 31 GLN H . . 5.320 5.021 4.993 5.038 . 0 0 "[ . 1 . 2]" 1
195 1 28 CYS HA 1 31 GLN H . . 3.630 3.383 3.373 3.400 . 0 0 "[ . 1 . 2]" 1
196 1 28 CYS HA 1 31 GLN HB2 . . 3.970 3.431 3.352 3.456 . 0 0 "[ . 1 . 2]" 1
197 1 28 CYS HA 1 33 CYS HB2 . . 4.170 2.965 2.923 2.988 . 0 0 "[ . 1 . 2]" 1
198 1 28 CYS HA 1 33 CYS HB3 . . 4.600 4.269 4.215 4.303 . 0 0 "[ . 1 . 2]" 1
199 1 28 CYS QB 1 29 SER H . . 2.780 2.642 2.621 2.654 . 0 0 "[ . 1 . 2]" 1
200 1 28 CYS QB 1 34 GLY H . . 4.020 3.808 3.773 3.838 . 0 0 "[ . 1 . 2]" 1
201 1 28 CYS HB2 1 35 THR HA . . 4.400 4.088 4.050 4.143 . 0 0 "[ . 1 . 2]" 1
202 1 28 CYS HB3 1 33 CYS HA . . 4.980 4.885 4.862 4.903 . 0 0 "[ . 1 . 2]" 1
203 1 28 CYS HB3 1 33 CYS HB2 . . 3.270 2.158 2.121 2.190 . 0 0 "[ . 1 . 2]" 1
204 1 28 CYS HB3 1 33 CYS HB3 . . 3.210 2.972 2.945 2.988 . 0 0 "[ . 1 . 2]" 1
205 1 29 SER H 1 29 SER QB . . 2.400 2.138 2.137 2.139 . 0 0 "[ . 1 . 2]" 1
206 1 29 SER H 1 30 MET H . . 2.890 2.716 2.713 2.719 . 0 0 "[ . 1 . 2]" 1
207 1 29 SER H 1 30 MET QB . . 5.040 5.004 4.998 5.012 . 0 0 "[ . 1 . 2]" 1
208 1 29 SER H 1 31 GLN H . . 4.200 4.041 4.028 4.047 . 0 0 "[ . 1 . 2]" 1
209 1 29 SER HA 1 32 ASN HA . . 4.620 4.127 4.084 4.152 . 0 0 "[ . 1 . 2]" 1
210 1 29 SER HA 1 33 CYS H . . 3.300 2.662 2.641 2.720 . 0 0 "[ . 1 . 2]" 1
211 1 29 SER HA 1 33 CYS HB2 . . 4.860 3.634 3.608 3.651 . 0 0 "[ . 1 . 2]" 1
212 1 29 SER HA 1 33 CYS HB3 . . 5.500 5.014 4.995 5.057 . 0 0 "[ . 1 . 2]" 1
213 1 29 SER QB 1 30 MET H . . 2.950 2.797 2.788 2.804 . 0 0 "[ . 1 . 2]" 1
214 1 29 SER QB 1 30 MET HA . . 3.920 3.925 3.923 3.929 0.009 7 0 "[ . 1 . 2]" 1
215 1 29 SER QB 1 30 MET HB2 . . 5.250 5.085 5.080 5.090 . 0 0 "[ . 1 . 2]" 1
216 1 30 MET H 1 30 MET QB . . 2.700 2.654 2.650 2.664 . 0 0 "[ . 1 . 2]" 1
217 1 30 MET H 1 30 MET QG . . 2.770 2.109 2.100 2.114 . 0 0 "[ . 1 . 2]" 1
218 1 30 MET H 1 31 GLN H . . 2.720 2.509 2.504 2.518 . 0 0 "[ . 1 . 2]" 1
219 1 30 MET HA 1 30 MET QG . . 2.600 2.604 2.601 2.611 0.011 19 0 "[ . 1 . 2]" 1
220 1 30 MET QG 1 31 GLN H . . 4.280 3.929 3.918 3.937 . 0 0 "[ . 1 . 2]" 1
221 1 31 GLN H 1 31 GLN QG . . 2.540 2.258 2.236 2.299 . 0 0 "[ . 1 . 2]" 1
222 1 31 GLN H 1 32 ASN H . . 2.640 2.492 2.476 2.507 . 0 0 "[ . 1 . 2]" 1
223 1 31 GLN H 1 33 CYS H . . 3.480 3.250 3.187 3.264 . 0 0 "[ . 1 . 2]" 1
224 1 31 GLN HA 1 31 GLN HB3 . . 2.870 2.286 2.280 2.298 . 0 0 "[ . 1 . 2]" 1
225 1 31 GLN HA 1 31 GLN HG3 . . 4.220 3.805 3.775 3.857 . 0 0 "[ . 1 . 2]" 1
226 1 31 GLN HA 1 64 LEU QB . . 4.720 4.434 4.226 4.745 0.025 19 0 "[ . 1 . 2]" 1
227 1 31 GLN HA 1 64 LEU QD . . 4.120 3.358 3.284 3.467 . 0 0 "[ . 1 . 2]" 1
228 1 31 GLN HA 1 66 LYS QE . . 4.630 3.661 2.448 4.644 0.014 16 0 "[ . 1 . 2]" 1
229 1 31 GLN HB2 1 32 ASN H . . 4.020 3.955 3.936 3.965 . 0 0 "[ . 1 . 2]" 1
230 1 31 GLN HB2 1 33 CYS H . . 3.870 3.858 3.727 3.887 0.017 7 0 "[ . 1 . 2]" 1
231 1 31 GLN HB2 1 33 CYS HA . . 5.050 5.057 4.983 5.083 0.033 1 0 "[ . 1 . 2]" 1
232 1 31 GLN HB2 1 33 CYS HB2 . . 4.620 3.834 3.786 3.877 . 0 0 "[ . 1 . 2]" 1
233 1 31 GLN HB2 1 33 CYS HB3 . . 5.230 4.919 4.866 4.946 . 0 0 "[ . 1 . 2]" 1
234 1 31 GLN HB3 1 64 LEU QB . . 3.620 2.408 2.221 2.704 . 0 0 "[ . 1 . 2]" 1
235 1 31 GLN HG2 1 64 LEU QB . . 5.340 3.964 3.854 4.124 . 0 0 "[ . 1 . 2]" 1
236 1 31 GLN HG3 1 33 CYS HB3 . . 5.500 5.619 5.581 5.678 0.178 9 0 "[ . 1 . 2]" 1
237 1 31 GLN HG3 1 64 LEU QB . . 4.130 3.850 3.708 3.926 . 0 0 "[ . 1 . 2]" 1
238 1 32 ASN H 1 32 ASN HA . . 2.400 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
239 1 32 ASN H 1 33 CYS HA . . 5.360 5.218 5.208 5.226 . 0 0 "[ . 1 . 2]" 1
240 1 32 ASN HA 1 32 ASN QB . . 2.520 2.362 2.258 2.515 . 0 0 "[ . 1 . 2]" 1
241 1 32 ASN HA 1 33 CYS H . . 3.130 2.804 2.796 2.843 . 0 0 "[ . 1 . 2]" 1
242 1 32 ASN HA 1 33 CYS HA . . 4.780 4.507 4.500 4.535 . 0 0 "[ . 1 . 2]" 1
243 1 32 ASN HA 1 53 ALA MB . . 5.120 4.496 4.469 4.525 . 0 0 "[ . 1 . 2]" 1
244 1 33 CYS H 1 33 CYS HB2 . . 2.970 2.465 2.438 2.475 . 0 0 "[ . 1 . 2]" 1
245 1 33 CYS H 1 53 ALA MB . . 5.270 4.861 4.784 4.893 . 0 0 "[ . 1 . 2]" 1
246 1 33 CYS HA 1 34 GLY H . . 2.790 2.677 2.665 2.695 . 0 0 "[ . 1 . 2]" 1
247 1 33 CYS HA 1 34 GLY HA2 . . 4.590 4.393 4.389 4.399 . 0 0 "[ . 1 . 2]" 1
248 1 33 CYS HA 1 34 GLY HA3 . . 4.910 4.512 4.508 4.516 . 0 0 "[ . 1 . 2]" 1
249 1 33 CYS HA 1 52 CYS HA . . 2.650 1.936 1.923 1.948 . 0 0 "[ . 1 . 2]" 1
250 1 33 CYS HA 1 52 CYS HB2 . . 4.290 4.472 4.447 4.515 0.225 19 0 "[ . 1 . 2]" 1
251 1 33 CYS HA 1 52 CYS HB3 . . 4.710 4.588 4.572 4.606 . 0 0 "[ . 1 . 2]" 1
252 1 33 CYS HA 1 53 ALA H . . 2.900 2.868 2.853 2.899 . 0 0 "[ . 1 . 2]" 1
253 1 33 CYS HA 1 53 ALA HA . . 5.130 4.790 4.723 4.824 . 0 0 "[ . 1 . 2]" 1
254 1 33 CYS HA 1 53 ALA MB . . 4.650 3.441 3.386 3.470 . 0 0 "[ . 1 . 2]" 1
255 1 33 CYS HB2 1 34 GLY H . . 3.400 3.195 3.141 3.222 . 0 0 "[ . 1 . 2]" 1
256 1 33 CYS HB2 1 34 GLY HA2 . . 5.090 4.877 4.840 4.891 . 0 0 "[ . 1 . 2]" 1
257 1 33 CYS HB2 1 52 CYS HA . . 4.070 3.728 3.665 3.757 . 0 0 "[ . 1 . 2]" 1
258 1 33 CYS HB3 1 34 GLY H . . 3.330 1.906 1.884 1.923 . 0 0 "[ . 1 . 2]" 1
259 1 33 CYS HB3 1 35 THR H . . 3.540 3.403 3.391 3.424 . 0 0 "[ . 1 . 2]" 1
260 1 33 CYS HB3 1 35 THR MG . . 5.240 5.151 5.140 5.171 . 0 0 "[ . 1 . 2]" 1
261 1 33 CYS HB3 1 50 TYR HA . . 5.500 5.586 5.571 5.598 0.098 19 0 "[ . 1 . 2]" 1
262 1 33 CYS HB3 1 51 ARG HB2 . . 5.500 4.448 4.416 4.470 . 0 0 "[ . 1 . 2]" 1
263 1 33 CYS HB3 1 52 CYS HA . . 3.990 2.368 2.280 2.408 . 0 0 "[ . 1 . 2]" 1
264 1 33 CYS HB3 1 53 ALA MB . . 5.500 5.441 5.373 5.477 . 0 0 "[ . 1 . 2]" 1
265 1 34 GLY H 1 34 GLY QA . . 2.610 2.312 2.309 2.318 . 0 0 "[ . 1 . 2]" 1
266 1 34 GLY H 1 35 THR H . . 2.520 2.383 2.377 2.387 . 0 0 "[ . 1 . 2]" 1
267 1 34 GLY H 1 35 THR HA . . 4.960 4.707 4.691 4.718 . 0 0 "[ . 1 . 2]" 1
268 1 34 GLY H 1 35 THR HB . . 5.500 5.355 5.351 5.359 . 0 0 "[ . 1 . 2]" 1
269 1 34 GLY H 1 35 THR MG . . 4.350 4.360 4.355 4.363 0.013 13 0 "[ . 1 . 2]" 1
270 1 34 GLY H 1 51 ARG H . . 5.420 5.154 5.137 5.163 . 0 0 "[ . 1 . 2]" 1
271 1 34 GLY H 1 51 ARG QB . . 3.230 2.797 2.765 2.814 . 0 0 "[ . 1 . 2]" 1
272 1 34 GLY H 1 52 CYS H . . 3.940 3.907 3.884 3.917 . 0 0 "[ . 1 . 2]" 1
273 1 34 GLY H 1 52 CYS HA . . 3.100 2.582 2.566 2.597 . 0 0 "[ . 1 . 2]" 1
274 1 34 GLY QA 1 35 THR H . . 2.830 2.545 2.541 2.547 . 0 0 "[ . 1 . 2]" 1
275 1 34 GLY HA2 1 35 THR HA . . 4.610 4.585 4.583 4.586 . 0 0 "[ . 1 . 2]" 1
276 1 34 GLY HA2 1 51 ARG HB3 . . 4.010 4.008 3.973 4.027 0.017 4 0 "[ . 1 . 2]" 1
277 1 34 GLY HA2 1 52 CYS HA . . 5.130 5.180 5.165 5.201 0.071 11 0 "[ . 1 . 2]" 1
278 1 34 GLY HA3 1 35 THR MG . . 4.320 3.945 3.936 3.951 . 0 0 "[ . 1 . 2]" 1
279 1 34 GLY HA3 1 51 ARG HB2 . . 3.290 2.129 2.068 2.166 . 0 0 "[ . 1 . 2]" 1
280 1 34 GLY HA3 1 51 ARG QD . . 4.030 3.328 3.283 3.353 . 0 0 "[ . 1 . 2]" 1
281 1 35 THR H 1 35 THR HB . . 3.210 3.224 3.219 3.229 0.019 17 0 "[ . 1 . 2]" 1
282 1 35 THR H 1 35 THR MG . . 2.560 2.333 2.328 2.338 . 0 0 "[ . 1 . 2]" 1
283 1 35 THR H 1 36 GLY H . . 4.420 4.388 4.386 4.390 . 0 0 "[ . 1 . 2]" 1
284 1 35 THR H 1 50 TYR H . . 3.780 3.516 3.508 3.521 . 0 0 "[ . 1 . 2]" 1
285 1 35 THR H 1 51 ARG H . . 4.710 4.569 4.549 4.579 . 0 0 "[ . 1 . 2]" 1
286 1 35 THR H 1 51 ARG QB . . 2.870 1.940 1.934 1.947 . 0 0 "[ . 1 . 2]" 1
287 1 35 THR H 1 51 ARG QG . . 3.870 3.379 3.337 3.401 . 0 0 "[ . 1 . 2]" 1
288 1 35 THR H 1 52 CYS H . . 4.680 4.620 4.585 4.637 . 0 0 "[ . 1 . 2]" 1
289 1 35 THR HA 1 35 THR HB . . 2.620 2.524 2.522 2.525 . 0 0 "[ . 1 . 2]" 1
290 1 35 THR HA 1 35 THR MG . . 3.690 3.196 3.195 3.196 . 0 0 "[ . 1 . 2]" 1
291 1 35 THR HA 1 36 GLY H . . 2.730 2.602 2.599 2.607 . 0 0 "[ . 1 . 2]" 1
292 1 35 THR HA 1 36 GLY HA2 . . 4.650 4.628 4.625 4.631 . 0 0 "[ . 1 . 2]" 1
293 1 35 THR HA 1 36 GLY HA3 . . 4.480 4.314 4.313 4.315 . 0 0 "[ . 1 . 2]" 1
294 1 35 THR HA 1 51 ARG HB2 . . 4.560 4.532 4.527 4.542 . 0 0 "[ . 1 . 2]" 1
295 1 35 THR HB 1 51 ARG HB2 . . 4.390 3.740 3.718 3.773 . 0 0 "[ . 1 . 2]" 1
296 1 35 THR HB 1 51 ARG QD . . 4.120 3.507 3.494 3.522 . 0 0 "[ . 1 . 2]" 1
297 1 35 THR HB 1 51 ARG QG . . 4.720 3.498 3.476 3.509 . 0 0 "[ . 1 . 2]" 1
298 1 35 THR MG 1 49 CYS HA . . 4.860 4.599 4.592 4.611 . 0 0 "[ . 1 . 2]" 1
299 1 35 THR MG 1 50 TYR H . . 3.350 3.313 3.302 3.322 . 0 0 "[ . 1 . 2]" 1
300 1 35 THR MG 1 50 TYR HA . . 4.240 4.161 4.136 4.182 . 0 0 "[ . 1 . 2]" 1
301 1 35 THR MG 1 50 TYR HB3 . . 3.200 3.039 2.984 3.082 . 0 0 "[ . 1 . 2]" 1
302 1 35 THR MG 1 50 TYR QD . . 3.680 3.150 3.124 3.180 . 0 0 "[ . 1 . 2]" 1
303 1 35 THR MG 1 51 ARG H . . 3.720 3.739 3.730 3.752 0.032 5 0 "[ . 1 . 2]" 1
304 1 36 GLY H 1 37 SER H . . 4.180 4.068 4.059 4.081 . 0 0 "[ . 1 . 2]" 1
305 1 36 GLY H 1 37 SER QB . . 4.780 4.602 4.557 4.750 . 0 0 "[ . 1 . 2]" 1
306 1 36 GLY H 1 50 TYR H . . 4.460 4.375 4.366 4.382 . 0 0 "[ . 1 . 2]" 1
307 1 36 GLY HA2 1 37 SER H . . 2.710 2.147 2.145 2.150 . 0 0 "[ . 1 . 2]" 1
308 1 36 GLY HA2 1 50 TYR QD . . 3.880 2.323 2.310 2.335 . 0 0 "[ . 1 . 2]" 1
309 1 36 GLY HA3 1 37 SER H . . 3.300 3.175 3.164 3.184 . 0 0 "[ . 1 . 2]" 1
310 1 36 GLY HA3 1 37 SER HA . . 4.480 4.489 4.482 4.494 0.014 3 0 "[ . 1 . 2]" 1
311 1 36 GLY HA3 1 49 CYS HA . . 3.160 2.335 2.324 2.347 . 0 0 "[ . 1 . 2]" 1
312 1 36 GLY HA3 1 50 TYR H . . 3.600 3.421 3.407 3.435 . 0 0 "[ . 1 . 2]" 1
313 1 36 GLY HA3 1 50 TYR QD . . 4.260 4.042 4.030 4.052 . 0 0 "[ . 1 . 2]" 1
314 1 36 GLY HA3 1 50 TYR QE . . 5.500 5.520 5.513 5.526 0.026 19 0 "[ . 1 . 2]" 1
315 1 37 SER H 1 37 SER QB . . 2.870 2.482 2.404 2.510 . 0 0 "[ . 1 . 2]" 1
316 1 37 SER H 1 48 VAL HB . . 3.560 3.527 3.510 3.541 . 0 0 "[ . 1 . 2]" 1
317 1 37 SER H 1 48 VAL MG1 . . 4.410 4.259 4.229 4.279 . 0 0 "[ . 1 . 2]" 1
318 1 37 SER H 1 49 CYS H . . 4.710 4.736 4.725 4.744 0.034 7 0 "[ . 1 . 2]" 1
319 1 37 SER H 1 50 TYR H . . 4.340 4.406 4.387 4.425 0.085 7 0 "[ . 1 . 2]" 1
320 1 37 SER H 1 50 TYR HB2 . . 4.340 4.381 4.356 4.406 0.066 19 0 "[ . 1 . 2]" 1
321 1 37 SER HA 1 37 SER QB . . 2.630 2.512 2.495 2.540 . 0 0 "[ . 1 . 2]" 1
322 1 37 SER HA 1 38 CYS H . . 2.470 2.237 2.233 2.242 . 0 0 "[ . 1 . 2]" 1
323 1 37 SER HA 1 38 CYS HA . . 4.710 4.389 4.388 4.390 . 0 0 "[ . 1 . 2]" 1
324 1 37 SER HA 1 39 LYS QG . . 5.500 5.100 5.033 5.271 . 0 0 "[ . 1 . 2]" 1
325 1 37 SER HA 1 49 CYS HA . . 5.500 5.506 5.481 5.521 0.021 12 0 "[ . 1 . 2]" 1
326 1 37 SER QB 1 38 CYS HA . . 4.380 4.278 4.188 4.324 . 0 0 "[ . 1 . 2]" 1
327 1 37 SER QB 1 39 LYS QD . . 4.270 4.227 3.322 4.293 0.023 15 0 "[ . 1 . 2]" 1
328 1 37 SER QB 1 39 LYS HE2 . . 4.160 3.381 2.189 3.724 . 0 0 "[ . 1 . 2]" 1
329 1 37 SER QB 1 39 LYS QE . . 3.310 2.990 2.083 3.088 . 0 0 "[ . 1 . 2]" 1
330 1 37 SER QB 1 39 LYS HE3 . . 4.160 3.432 2.609 3.726 . 0 0 "[ . 1 . 2]" 1
331 1 37 SER QB 1 39 LYS QG . . 3.600 3.396 3.316 3.444 . 0 0 "[ . 1 . 2]" 1
332 1 37 SER QB 1 48 VAL HB . . 4.050 3.878 3.854 3.903 . 0 0 "[ . 1 . 2]" 1
333 1 37 SER QB 1 50 TYR QD . . 3.770 3.210 3.089 3.259 . 0 0 "[ . 1 . 2]" 1
334 1 37 SER QB 1 50 TYR QE . . 2.890 2.709 2.671 2.753 . 0 0 "[ . 1 . 2]" 1
335 1 38 CYS H 1 39 LYS QG . . 4.190 3.921 3.873 4.009 . 0 0 "[ . 1 . 2]" 1
336 1 38 CYS HA 1 39 LYS H . . 2.400 2.209 2.200 2.220 . 0 0 "[ . 1 . 2]" 1
337 1 38 CYS HA 1 39 LYS HA . . 5.070 4.437 4.429 4.444 . 0 0 "[ . 1 . 2]" 1
338 1 38 CYS HA 1 39 LYS HB2 . . 4.680 4.647 4.453 4.719 0.039 4 0 "[ . 1 . 2]" 1
339 1 38 CYS HA 1 39 LYS QG . . 4.280 3.406 3.333 3.823 . 0 0 "[ . 1 . 2]" 1
340 1 38 CYS HA 1 46 THR MG . . 5.020 4.738 4.637 4.795 . 0 0 "[ . 1 . 2]" 1
341 1 38 CYS HA 1 47 CYS HA . . 2.960 2.456 2.419 2.504 . 0 0 "[ . 1 . 2]" 1
342 1 38 CYS HA 1 47 CYS HB2 . . 5.360 5.084 4.613 5.163 . 0 0 "[ . 1 . 2]" 1
343 1 38 CYS HA 1 48 VAL H . . 3.140 2.135 2.098 2.164 . 0 0 "[ . 1 . 2]" 1
344 1 38 CYS HA 1 48 VAL HA . . 5.040 5.005 4.961 5.036 . 0 0 "[ . 1 . 2]" 1
345 1 38 CYS HA 1 48 VAL MG2 . . 4.430 2.925 2.887 2.950 . 0 0 "[ . 1 . 2]" 1
346 1 38 CYS HB2 1 39 LYS H . . 3.210 3.005 2.975 3.033 . 0 0 "[ . 1 . 2]" 1
347 1 38 CYS HB2 1 46 THR H . . 4.710 4.719 4.711 4.733 0.023 19 0 "[ . 1 . 2]" 1
348 1 38 CYS HB2 1 47 CYS H . . 5.070 4.683 4.600 4.762 . 0 0 "[ . 1 . 2]" 1
349 1 38 CYS HB2 1 47 CYS HA . . 3.990 2.450 2.385 2.506 . 0 0 "[ . 1 . 2]" 1
350 1 38 CYS HB2 1 48 VAL H . . 4.150 3.819 3.778 3.877 . 0 0 "[ . 1 . 2]" 1
351 1 38 CYS HB3 1 47 CYS HA . . 4.260 2.615 2.479 2.661 . 0 0 "[ . 1 . 2]" 1
352 1 39 LYS H 1 39 LYS QB . . 2.870 2.844 2.738 2.875 0.005 17 0 "[ . 1 . 2]" 1
353 1 39 LYS H 1 39 LYS QG . . 3.370 2.897 2.854 3.220 . 0 0 "[ . 1 . 2]" 1
354 1 39 LYS H 1 40 LYS H . . 4.530 4.379 4.341 4.420 . 0 0 "[ . 1 . 2]" 1
355 1 39 LYS H 1 41 ARG H . . 5.500 5.370 5.322 5.436 . 0 0 "[ . 1 . 2]" 1
356 1 39 LYS H 1 46 THR HB . . 3.980 3.965 3.899 3.998 0.018 13 0 "[ . 1 . 2]" 1
357 1 39 LYS H 1 46 THR MG . . 4.370 4.274 4.181 4.345 . 0 0 "[ . 1 . 2]" 1
358 1 39 LYS H 1 47 CYS HA . . 3.960 3.604 3.591 3.622 . 0 0 "[ . 1 . 2]" 1
359 1 39 LYS H 1 48 VAL MG2 . . 3.200 3.007 2.946 3.060 . 0 0 "[ . 1 . 2]" 1
360 1 39 LYS HA 1 39 LYS QG . . 2.930 2.673 2.478 2.919 . 0 0 "[ . 1 . 2]" 1
361 1 39 LYS HA 1 40 LYS H . . 2.550 2.287 2.232 2.397 . 0 0 "[ . 1 . 2]" 1
362 1 39 LYS QE 1 39 LYS QG . . 3.500 2.053 1.964 2.234 . 0 0 "[ . 1 . 2]" 1
363 1 40 LYS H 1 40 LYS QB . . 2.440 2.093 2.075 2.125 . 0 0 "[ . 1 . 2]" 1
364 1 40 LYS H 1 40 LYS QG . . 3.340 3.141 3.075 3.171 . 0 0 "[ . 1 . 2]" 1
365 1 40 LYS H 1 41 ARG H . . 4.490 4.410 4.385 4.439 . 0 0 "[ . 1 . 2]" 1
366 1 40 LYS HA 1 40 LYS HD2 . . 3.010 2.939 2.706 3.018 0.008 10 0 "[ . 1 . 2]" 1
367 1 40 LYS HA 1 40 LYS QE . . 3.990 3.959 3.780 4.033 0.043 16 0 "[ . 1 . 2]" 1
368 1 40 LYS HA 1 40 LYS QG . . 3.230 2.514 2.472 2.554 . 0 0 "[ . 1 . 2]" 1
369 1 40 LYS HA 1 41 ARG H . . 2.400 2.146 2.142 2.148 . 0 0 "[ . 1 . 2]" 1
370 1 40 LYS HA 1 45 PRO HA . . 3.060 3.009 2.955 3.063 0.003 2 0 "[ . 1 . 2]" 1
371 1 40 LYS HA 1 45 PRO HD3 . . 5.320 5.327 5.265 5.350 0.030 10 0 "[ . 1 . 2]" 1
372 1 40 LYS HA 1 46 THR H . . 3.210 3.029 3.010 3.042 . 0 0 "[ . 1 . 2]" 1
373 1 40 LYS HA 1 46 THR HB . . 4.620 4.570 4.556 4.584 . 0 0 "[ . 1 . 2]" 1
374 1 40 LYS QB 1 43 GLY H . . 3.440 3.126 2.972 3.226 . 0 0 "[ . 1 . 2]" 1
375 1 40 LYS HB3 1 43 GLY HA2 . . 4.500 3.388 3.229 3.494 . 0 0 "[ . 1 . 2]" 1
376 1 40 LYS HB3 1 43 GLY HA3 . . 5.110 5.016 4.848 5.118 0.008 10 0 "[ . 1 . 2]" 1
377 1 40 LYS QD 1 43 GLY H . . 3.390 3.124 3.046 3.268 . 0 0 "[ . 1 . 2]" 1
378 1 40 LYS HD2 1 43 GLY HA2 . . 3.740 2.383 2.258 2.531 . 0 0 "[ . 1 . 2]" 1
379 1 40 LYS HD2 1 43 GLY HA3 . . 4.310 3.828 3.740 3.903 . 0 0 "[ . 1 . 2]" 1
380 1 40 LYS HD3 1 40 LYS QE . . 2.560 2.187 2.142 2.369 . 0 0 "[ . 1 . 2]" 1
381 1 40 LYS HD3 1 45 PRO HA . . 3.080 2.504 2.392 2.632 . 0 0 "[ . 1 . 2]" 1
382 1 40 LYS HD3 1 45 PRO HD3 . . 4.810 3.397 3.301 3.581 . 0 0 "[ . 1 . 2]" 1
383 1 40 LYS QE 1 40 LYS QG . . 3.320 2.338 2.065 2.411 . 0 0 "[ . 1 . 2]" 1
384 1 40 LYS QE 1 44 ARG HA . . 4.140 3.062 2.796 3.666 . 0 0 "[ . 1 . 2]" 1
385 1 40 LYS QE 1 45 PRO HA . . 3.650 3.548 3.179 3.661 0.011 10 0 "[ . 1 . 2]" 1
386 1 40 LYS QE 1 45 PRO HD2 . . 4.170 3.870 3.670 4.158 . 0 0 "[ . 1 . 2]" 1
387 1 40 LYS QE 1 45 PRO HD3 . . 4.050 2.376 2.162 2.554 . 0 0 "[ . 1 . 2]" 1
388 1 40 LYS QG 1 43 GLY H . . 4.970 4.715 4.604 4.803 . 0 0 "[ . 1 . 2]" 1
389 1 40 LYS QG 1 44 ARG H . . 5.090 4.835 4.691 4.940 . 0 0 "[ . 1 . 2]" 1
390 1 40 LYS QG 1 44 ARG HA . . 5.470 5.275 5.165 5.350 . 0 0 "[ . 1 . 2]" 1
391 1 40 LYS QG 1 45 PRO HA . . 3.520 3.497 3.451 3.530 0.010 5 0 "[ . 1 . 2]" 1
392 1 40 LYS QG 1 45 PRO HD3 . . 4.950 4.858 4.793 4.937 . 0 0 "[ . 1 . 2]" 1
393 1 41 ARG H 1 41 ARG QB . . 2.660 2.456 2.423 2.496 . 0 0 "[ . 1 . 2]" 1
394 1 41 ARG H 1 41 ARG QD . . 4.050 3.789 3.682 3.811 . 0 0 "[ . 1 . 2]" 1
395 1 41 ARG H 1 41 ARG QG . . 2.650 2.638 2.569 2.654 0.004 17 0 "[ . 1 . 2]" 1
396 1 41 ARG H 1 43 GLY H . . 4.160 3.970 3.923 4.066 . 0 0 "[ . 1 . 2]" 1
397 1 41 ARG H 1 44 ARG H . . 3.070 2.971 2.882 3.073 0.003 16 0 "[ . 1 . 2]" 1
398 1 41 ARG H 1 46 THR H . . 3.780 2.922 2.840 2.969 . 0 0 "[ . 1 . 2]" 1
399 1 41 ARG HA 1 41 ARG QB . . 2.540 2.371 2.359 2.383 . 0 0 "[ . 1 . 2]" 1
400 1 41 ARG HA 1 41 ARG HD2 . . 2.940 2.020 1.999 2.095 . 0 0 "[ . 1 . 2]" 1
401 1 41 ARG HA 1 41 ARG HD3 . . 3.970 3.608 2.938 3.705 . 0 0 "[ . 1 . 2]" 1
402 1 41 ARG HA 1 42 SER HA . . 4.500 4.375 4.370 4.381 . 0 0 "[ . 1 . 2]" 1
403 1 41 ARG HA 1 43 GLY H . . 4.030 3.807 3.740 3.837 . 0 0 "[ . 1 . 2]" 1
404 1 41 ARG QB 1 42 SER QB . . 4.370 3.401 3.371 3.480 . 0 0 "[ . 1 . 2]" 1
405 1 41 ARG QB 1 46 THR HB . . 3.350 2.945 2.909 3.014 . 0 0 "[ . 1 . 2]" 1
406 1 41 ARG HD3 1 46 THR HB . . 4.360 4.122 4.031 4.136 . 0 0 "[ . 1 . 2]" 1
407 1 41 ARG HD3 1 48 VAL MG2 . . 4.020 3.813 3.639 4.043 0.023 13 0 "[ . 1 . 2]" 1
408 1 41 ARG QG 1 46 THR H . . 3.810 3.494 3.370 3.552 . 0 0 "[ . 1 . 2]" 1
409 1 41 ARG HG2 1 46 THR HB . . 3.510 2.185 1.993 2.222 . 0 0 "[ . 1 . 2]" 1
410 1 41 ARG HG3 1 46 THR HB . . 3.510 2.471 2.400 2.543 . 0 0 "[ . 1 . 2]" 1
411 1 42 SER QB 1 44 ARG HB2 . . 4.610 3.905 3.771 4.009 . 0 0 "[ . 1 . 2]" 1
412 1 42 SER QB 1 44 ARG HG2 . . 4.690 3.410 3.165 3.565 . 0 0 "[ . 1 . 2]" 1
413 1 43 GLY H 1 43 GLY HA2 . . 2.540 2.332 2.323 2.339 . 0 0 "[ . 1 . 2]" 1
414 1 43 GLY H 1 43 GLY HA3 . . 2.920 2.901 2.891 2.907 . 0 0 "[ . 1 . 2]" 1
415 1 43 GLY H 1 44 ARG H . . 2.880 2.408 2.362 2.470 . 0 0 "[ . 1 . 2]" 1
416 1 43 GLY HA2 1 44 ARG H . . 3.210 3.153 3.113 3.214 0.004 7 0 "[ . 1 . 2]" 1
417 1 43 GLY HA2 1 45 PRO HD3 . . 5.500 5.581 5.557 5.621 0.121 13 0 "[ . 1 . 2]" 1
418 1 43 GLY HA3 1 44 ARG H . . 3.490 3.383 3.336 3.411 . 0 0 "[ . 1 . 2]" 1
419 1 43 GLY HA3 1 44 ARG HB2 . . 5.500 5.441 5.388 5.501 0.001 10 0 "[ . 1 . 2]" 1
420 1 44 ARG H 1 44 ARG QB . . 2.550 2.537 2.500 2.556 0.006 20 0 "[ . 1 . 2]" 1
421 1 44 ARG HA 1 44 ARG HB3 . . 2.800 2.482 2.451 2.505 . 0 0 "[ . 1 . 2]" 1
422 1 44 ARG HA 1 44 ARG QD . . 3.720 2.223 1.992 2.447 . 0 0 "[ . 1 . 2]" 1
423 1 44 ARG HA 1 44 ARG HG2 . . 3.060 2.935 2.822 3.063 0.003 20 0 "[ . 1 . 2]" 1
424 1 44 ARG HA 1 45 PRO HA . . 4.670 4.420 4.418 4.421 . 0 0 "[ . 1 . 2]" 1
425 1 44 ARG HA 1 45 PRO HD2 . . 2.810 2.124 2.117 2.137 . 0 0 "[ . 1 . 2]" 1
426 1 44 ARG HA 1 45 PRO HD3 . . 2.680 2.256 2.254 2.257 . 0 0 "[ . 1 . 2]" 1
427 1 44 ARG HA 1 45 PRO QG . . 4.260 3.844 3.841 3.851 . 0 0 "[ . 1 . 2]" 1
428 1 44 ARG HB3 1 44 ARG QD . . 2.610 2.257 2.138 2.389 . 0 0 "[ . 1 . 2]" 1
429 1 44 ARG HB3 1 45 PRO HD2 . . 3.050 2.666 2.643 2.698 . 0 0 "[ . 1 . 2]" 1
430 1 44 ARG QD 1 44 ARG HG2 . . 2.680 2.319 2.138 2.528 . 0 0 "[ . 1 . 2]" 1
431 1 44 ARG QD 1 45 PRO HD2 . . 4.420 2.656 2.402 2.835 . 0 0 "[ . 1 . 2]" 1
432 1 44 ARG QD 1 45 PRO HD3 . . 3.820 3.574 3.365 3.738 . 0 0 "[ . 1 . 2]" 1
433 1 46 THR H 1 46 THR HB . . 2.850 2.536 2.511 2.554 . 0 0 "[ . 1 . 2]" 1
434 1 46 THR H 1 46 THR MG . . 3.900 3.812 3.798 3.821 . 0 0 "[ . 1 . 2]" 1
435 1 46 THR HA 1 46 THR MG . . 2.670 2.343 2.317 2.394 . 0 0 "[ . 1 . 2]" 1
436 1 46 THR HA 1 47 CYS H . . 2.690 2.180 2.161 2.200 . 0 0 "[ . 1 . 2]" 1
437 1 46 THR HA 1 47 CYS HB2 . . 4.610 4.162 4.112 4.630 0.020 7 0 "[ . 1 . 2]" 1
438 1 46 THR HA 1 48 VAL MG2 . . 4.950 4.922 4.876 4.959 0.009 5 0 "[ . 1 . 2]" 1
439 1 46 THR HB 1 47 CYS H . . 4.270 4.101 4.035 4.165 . 0 0 "[ . 1 . 2]" 1
440 1 46 THR HB 1 48 VAL MG2 . . 3.770 3.680 3.636 3.707 . 0 0 "[ . 1 . 2]" 1
441 1 46 THR MG 1 47 CYS H . . 3.090 2.347 2.117 2.569 . 0 0 "[ . 1 . 2]" 1
442 1 46 THR MG 1 48 VAL H . . 4.140 4.056 3.980 4.131 . 0 0 "[ . 1 . 2]" 1
443 1 47 CYS H 1 47 CYS HB2 . . 2.960 2.472 2.416 2.978 0.018 7 0 "[ . 1 . 2]" 1
444 1 47 CYS H 1 47 CYS HB3 . . 3.140 2.953 2.417 3.011 . 0 0 "[ . 1 . 2]" 1
445 1 47 CYS H 1 48 VAL HA . . 5.290 5.044 4.999 5.079 . 0 0 "[ . 1 . 2]" 1
446 1 47 CYS HA 1 48 VAL H . . 2.630 2.139 2.138 2.140 . 0 0 "[ . 1 . 2]" 1
447 1 47 CYS HA 1 48 VAL HA . . 4.470 4.394 4.393 4.394 . 0 0 "[ . 1 . 2]" 1
448 1 47 CYS HA 1 48 VAL MG2 . . 4.000 3.488 3.481 3.495 . 0 0 "[ . 1 . 2]" 1
449 1 48 VAL H 1 48 VAL HB . . 2.810 2.808 2.798 2.818 0.008 11 0 "[ . 1 . 2]" 1
450 1 48 VAL H 1 48 VAL MG1 . . 4.080 3.874 3.868 3.879 . 0 0 "[ . 1 . 2]" 1
451 1 48 VAL H 1 48 VAL MG2 . . 2.940 2.402 2.380 2.418 . 0 0 "[ . 1 . 2]" 1
452 1 48 VAL H 1 49 CYS H . . 4.520 4.516 4.510 4.522 0.002 2 0 "[ . 1 . 2]" 1
453 1 48 VAL HA 1 48 VAL MG2 . . 3.060 2.516 2.509 2.522 . 0 0 "[ . 1 . 2]" 1
454 1 48 VAL HA 1 49 CYS H . . 2.400 2.253 2.249 2.258 . 0 0 "[ . 1 . 2]" 1
455 1 48 VAL HB 1 49 CYS HA . . 4.890 4.524 4.519 4.531 . 0 0 "[ . 1 . 2]" 1
456 1 48 VAL HB 1 50 TYR QE . . 3.960 2.428 2.391 2.483 . 0 0 "[ . 1 . 2]" 1
457 1 48 VAL HB 1 58 ASP HA . . 5.140 4.827 4.785 4.869 . 0 0 "[ . 1 . 2]" 1
458 1 48 VAL MG1 1 49 CYS H . . 2.790 2.214 2.185 2.240 . 0 0 "[ . 1 . 2]" 1
459 1 48 VAL MG1 1 49 CYS HA . . 4.530 4.082 4.071 4.091 . 0 0 "[ . 1 . 2]" 1
460 1 48 VAL MG1 1 50 TYR H . . 5.170 5.158 5.141 5.173 0.003 19 0 "[ . 1 . 2]" 1
461 1 48 VAL MG1 1 50 TYR HA . . 4.840 4.837 4.826 4.847 0.007 13 0 "[ . 1 . 2]" 1
462 1 48 VAL MG1 1 50 TYR QE . . 3.860 2.799 2.763 2.837 . 0 0 "[ . 1 . 2]" 1
463 1 48 VAL MG1 1 58 ASP H . . 4.580 4.354 4.320 4.396 . 0 0 "[ . 1 . 2]" 1
464 1 48 VAL MG1 1 58 ASP HA . . 3.000 2.396 2.366 2.422 . 0 0 "[ . 1 . 2]" 1
465 1 48 VAL MG1 1 59 ILE H . . 3.340 3.238 3.124 3.303 . 0 0 "[ . 1 . 2]" 1
466 1 48 VAL MG1 1 60 PRO HD2 . . 5.410 5.645 5.627 5.655 0.245 4 0 "[ . 1 . 2]" 1
467 1 48 VAL MG2 1 58 ASP HA . . 5.200 4.951 4.930 4.968 . 0 0 "[ . 1 . 2]" 1
468 1 49 CYS H 1 49 CYS HB2 . . 2.990 2.396 2.388 2.404 . 0 0 "[ . 1 . 2]" 1
469 1 49 CYS H 1 49 CYS HB3 . . 3.510 3.363 3.345 3.383 . 0 0 "[ . 1 . 2]" 1
470 1 49 CYS H 1 59 ILE H . . 3.290 2.401 2.320 2.496 . 0 0 "[ . 1 . 2]" 1
471 1 49 CYS HA 1 50 TYR H . . 2.530 2.430 2.422 2.443 . 0 0 "[ . 1 . 2]" 1
472 1 49 CYS HA 1 50 TYR HA . . 4.850 4.529 4.525 4.533 . 0 0 "[ . 1 . 2]" 1
473 1 49 CYS HA 1 50 TYR QD . . 3.850 3.223 3.195 3.237 . 0 0 "[ . 1 . 2]" 1
474 1 49 CYS HA 1 50 TYR QE . . 4.700 4.436 4.424 4.445 . 0 0 "[ . 1 . 2]" 1
475 1 49 CYS HA 1 59 ILE HB . . 5.500 5.680 5.646 5.703 0.203 18 0 "[ . 1 . 2]" 1
476 1 49 CYS HB3 1 50 TYR H . . 3.320 2.640 2.622 2.662 . 0 0 "[ . 1 . 2]" 1
477 1 50 TYR H 1 50 TYR HB2 . . 3.450 2.916 2.905 2.921 . 0 0 "[ . 1 . 2]" 1
478 1 50 TYR H 1 51 ARG H . . 4.530 4.387 4.386 4.388 . 0 0 "[ . 1 . 2]" 1
479 1 50 TYR H 1 51 ARG QB . . 4.420 4.467 4.453 4.486 0.066 11 0 "[ . 1 . 2]" 1
480 1 50 TYR H 1 59 ILE HB . . 5.470 5.492 5.467 5.510 0.040 19 0 "[ . 1 . 2]" 1
481 1 50 TYR HA 1 50 TYR QD . . 3.560 2.902 2.894 2.920 . 0 0 "[ . 1 . 2]" 1
482 1 50 TYR HA 1 50 TYR QE . . 4.740 4.638 4.635 4.643 . 0 0 "[ . 1 . 2]" 1
483 1 50 TYR HA 1 51 ARG H . . 3.060 2.512 2.504 2.518 . 0 0 "[ . 1 . 2]" 1
484 1 50 TYR HA 1 51 ARG QG . . 5.010 4.469 4.446 4.482 . 0 0 "[ . 1 . 2]" 1
485 1 50 TYR HA 1 52 CYS H . . 3.710 3.207 3.190 3.217 . 0 0 "[ . 1 . 2]" 1
486 1 50 TYR HA 1 52 CYS HB3 . . 5.240 5.262 5.257 5.266 0.026 4 0 "[ . 1 . 2]" 1
487 1 50 TYR HA 1 56 GLY HA2 . . 5.270 4.875 4.857 4.884 . 0 0 "[ . 1 . 2]" 1
488 1 50 TYR HA 1 57 GLY HA2 . . 3.190 2.485 2.464 2.523 . 0 0 "[ . 1 . 2]" 1
489 1 50 TYR HA 1 57 GLY HA3 . . 4.230 3.931 3.913 3.955 . 0 0 "[ . 1 . 2]" 1
490 1 50 TYR HB2 1 51 ARG H . . 3.530 3.428 3.413 3.448 . 0 0 "[ . 1 . 2]" 1
491 1 50 TYR HB2 1 51 ARG HA . . 5.230 5.217 5.201 5.239 0.009 19 0 "[ . 1 . 2]" 1
492 1 50 TYR HB2 1 51 ARG HB2 . . 4.660 4.202 4.187 4.225 . 0 0 "[ . 1 . 2]" 1
493 1 50 TYR HB3 1 51 ARG H . . 2.990 2.201 2.192 2.213 . 0 0 "[ . 1 . 2]" 1
494 1 50 TYR HB3 1 51 ARG HB3 . . 5.500 5.314 5.300 5.325 . 0 0 "[ . 1 . 2]" 1
495 1 50 TYR HB3 1 51 ARG QG . . 4.050 3.022 2.991 3.041 . 0 0 "[ . 1 . 2]" 1
496 1 50 TYR HB3 1 57 GLY HA2 . . 4.570 3.441 3.342 3.487 . 0 0 "[ . 1 . 2]" 1
497 1 50 TYR HB3 1 57 GLY HA3 . . 5.500 5.186 5.088 5.233 . 0 0 "[ . 1 . 2]" 1
498 1 50 TYR QD 1 51 ARG QG . . 5.170 4.582 4.555 4.597 . 0 0 "[ . 1 . 2]" 1
499 1 50 TYR QD 1 57 GLY HA2 . . 4.310 2.530 2.469 2.552 . 0 0 "[ . 1 . 2]" 1
500 1 50 TYR QD 1 57 GLY HA3 . . 4.130 3.837 3.752 3.870 . 0 0 "[ . 1 . 2]" 1
501 1 50 TYR QD 1 58 ASP HA . . 5.050 4.227 4.125 4.289 . 0 0 "[ . 1 . 2]" 1
502 1 51 ARG H 1 51 ARG HA . . 2.490 2.280 2.278 2.281 . 0 0 "[ . 1 . 2]" 1
503 1 51 ARG H 1 51 ARG QB . . 3.360 3.308 3.304 3.312 . 0 0 "[ . 1 . 2]" 1
504 1 51 ARG H 1 51 ARG QG . . 3.100 2.632 2.613 2.641 . 0 0 "[ . 1 . 2]" 1
505 1 51 ARG H 1 52 CYS H . . 2.900 2.767 2.764 2.771 . 0 0 "[ . 1 . 2]" 1
506 1 51 ARG H 1 52 CYS HB2 . . 4.840 4.643 4.637 4.649 . 0 0 "[ . 1 . 2]" 1
507 1 51 ARG H 1 57 GLY H . . 3.830 3.634 3.529 3.704 . 0 0 "[ . 1 . 2]" 1
508 1 51 ARG HA 1 51 ARG HB3 . . 2.780 2.453 2.446 2.457 . 0 0 "[ . 1 . 2]" 1
509 1 51 ARG HA 1 51 ARG QD . . 3.540 3.598 3.590 3.610 0.070 11 0 "[ . 1 . 2]" 1
510 1 51 ARG HA 1 51 ARG QG . . 2.850 2.392 2.385 2.405 . 0 0 "[ . 1 . 2]" 1
511 1 51 ARG HA 1 52 CYS H . . 3.010 2.937 2.931 2.949 . 0 0 "[ . 1 . 2]" 1
512 1 51 ARG QB 1 52 CYS H . . 3.820 3.775 3.767 3.780 . 0 0 "[ . 1 . 2]" 1
513 1 51 ARG HB2 1 51 ARG QD . . 3.380 2.835 2.831 2.838 . 0 0 "[ . 1 . 2]" 1
514 1 51 ARG HB2 1 52 CYS HA . . 5.210 4.650 4.634 4.659 . 0 0 "[ . 1 . 2]" 1
515 1 52 CYS H 1 52 CYS HB2 . . 2.590 2.206 2.196 2.210 . 0 0 "[ . 1 . 2]" 1
516 1 52 CYS H 1 52 CYS HB3 . . 3.090 2.953 2.951 2.960 . 0 0 "[ . 1 . 2]" 1
517 1 52 CYS H 1 53 ALA H . . 4.850 4.575 4.572 4.577 . 0 0 "[ . 1 . 2]" 1
518 1 52 CYS H 1 57 GLY H . . 3.760 2.306 2.261 2.337 . 0 0 "[ . 1 . 2]" 1
519 1 52 CYS HA 1 53 ALA H . . 2.740 2.526 2.522 2.534 . 0 0 "[ . 1 . 2]" 1
520 1 52 CYS HA 1 53 ALA HA . . 4.620 4.391 4.388 4.393 . 0 0 "[ . 1 . 2]" 1
521 1 52 CYS HA 1 53 ALA MB . . 4.350 3.973 3.965 3.978 . 0 0 "[ . 1 . 2]" 1
522 1 52 CYS HA 1 59 ILE HG13 . . 4.830 5.037 5.010 5.078 0.248 11 0 "[ . 1 . 2]" 1
523 1 52 CYS HB2 1 55 GLY HA3 . . 5.500 4.978 4.893 5.035 . 0 0 "[ . 1 . 2]" 1
524 1 52 CYS HB2 1 57 GLY H . . 4.180 2.597 2.562 2.647 . 0 0 "[ . 1 . 2]" 1
525 1 52 CYS HB2 1 57 GLY HA3 . . 5.500 5.348 5.304 5.414 . 0 0 "[ . 1 . 2]" 1
526 1 52 CYS HB2 1 59 ILE MD . . 4.270 4.191 4.176 4.207 . 0 0 "[ . 1 . 2]" 1
527 1 52 CYS HB2 1 59 ILE HG13 . . 4.200 2.666 2.627 2.689 . 0 0 "[ . 1 . 2]" 1
528 1 52 CYS HB3 1 53 ALA H . . 3.170 2.855 2.835 2.866 . 0 0 "[ . 1 . 2]" 1
529 1 52 CYS HB3 1 54 ASN H . . 3.530 3.109 3.088 3.142 . 0 0 "[ . 1 . 2]" 1
530 1 52 CYS HB3 1 55 GLY H . . 4.240 2.999 2.962 3.024 . 0 0 "[ . 1 . 2]" 1
531 1 52 CYS HB3 1 55 GLY HA3 . . 4.580 3.765 3.702 3.811 . 0 0 "[ . 1 . 2]" 1
532 1 52 CYS HB3 1 56 GLY H . . 4.060 1.937 1.933 1.940 . 0 0 "[ . 1 . 2]" 1
533 1 52 CYS HB3 1 56 GLY HA2 . . 5.130 3.178 3.150 3.229 . 0 0 "[ . 1 . 2]" 1
534 1 52 CYS HB3 1 57 GLY H . . 4.540 2.938 2.894 3.015 . 0 0 "[ . 1 . 2]" 1
535 1 52 CYS HB3 1 57 GLY HA2 . . 5.500 5.629 5.590 5.695 0.195 9 0 "[ . 1 . 2]" 1
536 1 52 CYS HB3 1 59 ILE MD . . 4.090 3.790 3.733 3.812 . 0 0 "[ . 1 . 2]" 1
537 1 52 CYS HB3 1 59 ILE HG13 . . 4.000 2.518 2.486 2.571 . 0 0 "[ . 1 . 2]" 1
538 1 53 ALA H 1 53 ALA MB . . 2.400 2.266 2.248 2.277 . 0 0 "[ . 1 . 2]" 1
539 1 53 ALA H 1 54 ASN H . . 3.110 2.024 2.014 2.041 . 0 0 "[ . 1 . 2]" 1
540 1 53 ALA H 1 54 ASN HA . . 4.830 4.765 4.756 4.781 . 0 0 "[ . 1 . 2]" 1
541 1 53 ALA H 1 55 GLY H . . 3.900 3.748 3.722 3.766 . 0 0 "[ . 1 . 2]" 1
542 1 53 ALA HA 1 54 ASN HA . . 4.680 4.638 4.636 4.640 . 0 0 "[ . 1 . 2]" 1
543 1 53 ALA MB 1 54 ASN H . . 3.220 2.865 2.835 2.878 . 0 0 "[ . 1 . 2]" 1
544 1 53 ALA MB 1 54 ASN HA . . 4.200 3.913 3.890 3.928 . 0 0 "[ . 1 . 2]" 1
545 1 53 ALA MB 1 55 GLY H . . 4.420 4.240 4.229 4.248 . 0 0 "[ . 1 . 2]" 1
546 1 53 ALA MB 1 56 GLY H . . 4.980 4.807 4.790 4.819 . 0 0 "[ . 1 . 2]" 1
547 1 54 ASN H 1 54 ASN QB . . 2.830 2.275 2.182 2.359 . 0 0 "[ . 1 . 2]" 1
548 1 54 ASN H 1 55 GLY H . . 3.060 2.691 2.688 2.698 . 0 0 "[ . 1 . 2]" 1
549 1 54 ASN H 1 56 GLY H . . 4.020 3.591 3.565 3.627 . 0 0 "[ . 1 . 2]" 1
550 1 54 ASN HA 1 54 ASN QB . . 2.540 2.485 2.407 2.536 . 0 0 "[ . 1 . 2]" 1
551 1 54 ASN HA 1 55 GLY H . . 3.380 3.056 3.055 3.059 . 0 0 "[ . 1 . 2]" 1
552 1 54 ASN HA 1 55 GLY HA2 . . 4.470 4.413 4.409 4.416 . 0 0 "[ . 1 . 2]" 1
553 1 54 ASN QB 1 55 GLY H . . 3.700 3.673 3.669 3.683 . 0 0 "[ . 1 . 2]" 1
554 1 55 GLY H 1 55 GLY HA2 . . 2.850 2.800 2.792 2.811 . 0 0 "[ . 1 . 2]" 1
555 1 55 GLY H 1 56 GLY H . . 2.600 1.874 1.868 1.881 . 0 0 "[ . 1 . 2]" 1
556 1 55 GLY HA3 1 59 ILE HG13 . . 4.970 3.196 3.052 3.288 . 0 0 "[ . 1 . 2]" 1
557 1 56 GLY H 1 56 GLY HA2 . . 2.590 2.295 2.294 2.296 . 0 0 "[ . 1 . 2]" 1
558 1 56 GLY HA2 1 57 GLY H . . 2.550 2.570 2.563 2.576 0.026 1 0 "[ . 1 . 2]" 1
559 1 57 GLY H 1 58 ASP H . . 4.700 4.264 4.246 4.291 . 0 0 "[ . 1 . 2]" 1
560 1 57 GLY HA2 1 58 ASP H . . 3.160 3.015 2.990 3.028 . 0 0 "[ . 1 . 2]" 1
561 1 57 GLY HA2 1 59 ILE HG12 . . 4.880 4.525 4.508 4.539 . 0 0 "[ . 1 . 2]" 1
562 1 57 GLY HA3 1 58 ASP H . . 2.780 2.207 2.200 2.220 . 0 0 "[ . 1 . 2]" 1
563 1 57 GLY HA3 1 59 ILE MD . . 4.780 4.082 4.030 4.177 . 0 0 "[ . 1 . 2]" 1
564 1 57 GLY HA3 1 59 ILE HG13 . . 5.500 5.155 5.057 5.190 . 0 0 "[ . 1 . 2]" 1
565 1 58 ASP H 1 58 ASP HB2 . . 3.690 3.574 3.549 3.581 . 0 0 "[ . 1 . 2]" 1
566 1 58 ASP H 1 58 ASP QB . . 3.230 2.658 2.635 2.728 . 0 0 "[ . 1 . 2]" 1
567 1 58 ASP H 1 58 ASP HB3 . . 3.690 2.742 2.712 2.835 . 0 0 "[ . 1 . 2]" 1
568 1 58 ASP HA 1 59 ILE H . . 2.680 2.164 2.156 2.181 . 0 0 "[ . 1 . 2]" 1
569 1 58 ASP QB 1 59 ILE H . . 3.630 3.551 3.519 3.607 . 0 0 "[ . 1 . 2]" 1
570 1 58 ASP HB2 1 59 ILE H . . 4.410 3.764 3.725 3.854 . 0 0 "[ . 1 . 2]" 1
571 1 58 ASP HB3 1 59 ILE H . . 4.410 4.353 4.329 4.383 . 0 0 "[ . 1 . 2]" 1
572 1 59 ILE H 1 59 ILE HB . . 2.940 2.942 2.896 2.961 0.021 14 0 "[ . 1 . 2]" 1
573 1 59 ILE HA 1 63 ALA H . . 4.840 5.176 5.133 5.265 0.425 9 0 "[ . 1 . 2]" 1
574 1 59 ILE HA 1 64 LEU H . . 5.500 5.593 5.541 5.622 0.122 16 0 "[ . 1 . 2]" 1
575 1 59 ILE MG 1 60 PRO HD2 . . 3.720 2.623 2.470 2.733 . 0 0 "[ . 1 . 2]" 1
576 1 59 ILE MG 1 63 ALA H . . 4.010 3.901 3.820 3.950 . 0 0 "[ . 1 . 2]" 1
577 1 59 ILE MG 1 63 ALA HA . . 4.460 4.423 4.282 4.475 0.015 13 0 "[ . 1 . 2]" 1
578 1 60 PRO HD2 1 63 ALA HA . . 5.170 4.914 4.736 5.005 . 0 0 "[ . 1 . 2]" 1
579 1 60 PRO HD3 1 63 ALA MB . . 4.120 3.526 3.346 3.651 . 0 0 "[ . 1 . 2]" 1
580 1 60 PRO HG2 1 63 ALA HA . . 4.970 4.034 3.847 4.184 . 0 0 "[ . 1 . 2]" 1
581 1 61 LEU H 1 61 LEU HA . . 2.900 2.754 2.749 2.758 . 0 0 "[ . 1 . 2]" 1
582 1 61 LEU H 1 62 GLY H . . 3.420 2.765 2.757 2.775 . 0 0 "[ . 1 . 2]" 1
583 1 61 LEU H 1 63 ALA H . . 4.480 4.392 4.345 4.439 . 0 0 "[ . 1 . 2]" 1
584 1 61 LEU HA 1 61 LEU QD . . 2.790 1.993 1.878 2.091 . 0 0 "[ . 1 . 2]" 1
585 1 61 LEU HA 1 64 LEU HB2 . . 4.560 2.752 2.696 2.846 . 0 0 "[ . 1 . 2]" 1
586 1 61 LEU HA 1 64 LEU QB . . 3.760 2.704 2.650 2.788 . 0 0 "[ . 1 . 2]" 1
587 1 61 LEU HA 1 64 LEU HB3 . . 4.560 3.965 3.897 4.003 . 0 0 "[ . 1 . 2]" 1
588 1 62 GLY H 1 63 ALA H . . 3.100 2.482 2.403 2.534 . 0 0 "[ . 1 . 2]" 1
589 1 62 GLY H 1 64 LEU H . . 4.180 3.824 3.776 3.857 . 0 0 "[ . 1 . 2]" 1
590 1 62 GLY H 1 64 LEU QB . . 5.320 4.784 4.658 4.860 . 0 0 "[ . 1 . 2]" 1
591 1 62 GLY QA 1 63 ALA H . . 2.930 2.762 2.744 2.777 . 0 0 "[ . 1 . 2]" 1
592 1 62 GLY HA2 1 63 ALA HA . . 5.500 4.697 4.688 4.716 . 0 0 "[ . 1 . 2]" 1
593 1 62 GLY HA2 1 65 ILE HB . . 4.830 4.096 4.030 4.133 . 0 0 "[ . 1 . 2]" 1
594 1 62 GLY HA2 1 65 ILE MD . . 3.620 1.956 1.927 1.996 . 0 0 "[ . 1 . 2]" 1
595 1 62 GLY HA2 1 65 ILE HG12 . . 4.280 3.218 3.075 3.438 . 0 0 "[ . 1 . 2]" 1
596 1 62 GLY HA2 1 65 ILE HG13 . . 4.070 2.085 1.990 2.270 . 0 0 "[ . 1 . 2]" 1
597 1 62 GLY HA3 1 63 ALA MB . . 4.460 4.364 4.355 4.379 . 0 0 "[ . 1 . 2]" 1
598 1 62 GLY HA3 1 65 ILE MD . . 3.780 3.173 3.093 3.314 . 0 0 "[ . 1 . 2]" 1
599 1 62 GLY HA3 1 65 ILE HG13 . . 4.210 3.611 3.536 3.747 . 0 0 "[ . 1 . 2]" 1
600 1 63 ALA H 1 63 ALA MB . . 2.500 2.245 2.196 2.267 . 0 0 "[ . 1 . 2]" 1
601 1 63 ALA H 1 65 ILE H . . 4.210 3.974 3.928 4.029 . 0 0 "[ . 1 . 2]" 1
602 1 63 ALA H 1 65 ILE QG . . 4.530 4.061 3.982 4.183 . 0 0 "[ . 1 . 2]" 1
603 1 64 LEU H 1 64 LEU QB . . 2.970 2.131 2.073 2.166 . 0 0 "[ . 1 . 2]" 1
604 1 64 LEU H 1 65 ILE QG . . 3.990 3.499 3.274 3.624 . 0 0 "[ . 1 . 2]" 1
605 1 64 LEU HA 1 64 LEU QB . . 2.560 2.509 2.496 2.523 . 0 0 "[ . 1 . 2]" 1
606 1 64 LEU HA 1 64 LEU QD . . 2.650 2.557 2.447 2.614 . 0 0 "[ . 1 . 2]" 1
607 1 64 LEU HA 1 65 ILE H . . 3.480 3.197 3.173 3.276 . 0 0 "[ . 1 . 2]" 1
608 1 64 LEU QB 1 64 LEU QD . . 2.470 1.778 1.756 1.821 . 0 0 "[ . 1 . 2]" 1
609 1 64 LEU QB 1 65 ILE HG13 . . 5.100 4.451 4.099 4.662 . 0 0 "[ . 1 . 2]" 1
610 1 65 ILE H 1 65 ILE HB . . 3.080 2.501 2.432 2.654 . 0 0 "[ . 1 . 2]" 1
611 1 65 ILE H 1 65 ILE QG . . 3.420 2.195 2.008 2.273 . 0 0 "[ . 1 . 2]" 1
612 1 65 ILE H 1 65 ILE MG . . 3.840 3.761 3.745 3.795 . 0 0 "[ . 1 . 2]" 1
613 1 65 ILE H 1 66 LYS H . . 4.590 4.520 4.366 4.609 0.019 1 0 "[ . 1 . 2]" 1
614 1 65 ILE HA 1 65 ILE HG12 . . 3.390 2.486 2.442 2.589 . 0 0 "[ . 1 . 2]" 1
615 1 65 ILE HA 1 65 ILE HG13 . . 3.310 3.014 2.877 3.271 . 0 0 "[ . 1 . 2]" 1
616 1 65 ILE HA 1 65 ILE MG . . 2.810 2.402 2.254 2.467 . 0 0 "[ . 1 . 2]" 1
617 1 65 ILE HA 1 66 LYS H . . 2.810 2.172 2.141 2.220 . 0 0 "[ . 1 . 2]" 1
618 1 65 ILE HA 1 66 LYS HA . . 4.500 4.388 4.342 4.416 . 0 0 "[ . 1 . 2]" 1
619 1 65 ILE HA 1 66 LYS QE . . 4.290 3.622 3.067 3.827 . 0 0 "[ . 1 . 2]" 1
620 1 65 ILE HA 1 67 ARG H . . 4.530 3.490 3.262 3.670 . 0 0 "[ . 1 . 2]" 1
621 1 65 ILE QG 1 66 LYS H . . 4.360 4.075 3.856 4.215 . 0 0 "[ . 1 . 2]" 1
622 1 65 ILE QG 1 67 ARG H . . 5.200 4.406 4.298 4.504 . 0 0 "[ . 1 . 2]" 1
623 1 65 ILE MG 1 66 LYS H . . 3.220 2.533 1.939 3.060 . 0 0 "[ . 1 . 2]" 1
624 1 65 ILE MG 1 66 LYS HA . . 3.950 3.774 3.390 4.078 0.128 9 0 "[ . 1 . 2]" 1
625 1 65 ILE MG 1 67 ARG H . . 3.860 1.860 1.821 1.942 . 0 0 "[ . 1 . 2]" 1
626 1 65 ILE MG 1 67 ARG HA . . 4.650 3.355 2.572 4.202 . 0 0 "[ . 1 . 2]" 1
627 1 65 ILE MG 1 67 ARG QD . . 3.950 3.003 1.821 3.958 0.008 5 0 "[ . 1 . 2]" 1
628 1 65 ILE MG 1 68 GLY H . . 3.740 3.081 1.925 3.809 0.069 7 0 "[ . 1 . 2]" 1
629 1 66 LYS H 1 66 LYS QB . . 3.020 2.569 2.496 2.658 . 0 0 "[ . 1 . 2]" 1
630 1 66 LYS H 1 66 LYS QG . . 3.310 2.390 1.992 2.763 . 0 0 "[ . 1 . 2]" 1
631 1 66 LYS H 1 67 ARG H . . 3.240 2.316 1.926 2.552 . 0 0 "[ . 1 . 2]" 1
632 1 66 LYS HA 1 66 LYS QE . . 4.330 3.935 2.819 4.334 0.004 4 0 "[ . 1 . 2]" 1
633 1 66 LYS HA 1 66 LYS QG . . 3.620 2.685 2.525 3.077 . 0 0 "[ . 1 . 2]" 1
634 1 66 LYS HA 1 67 ARG H . . 3.120 3.239 3.205 3.260 0.140 5 0 "[ . 1 . 2]" 1
635 1 66 LYS QE 1 66 LYS QG . . 3.250 2.147 2.112 2.196 . 0 0 "[ . 1 . 2]" 1
636 1 66 LYS QE 1 67 ARG H . . 4.610 4.572 4.226 4.619 0.009 16 0 "[ . 1 . 2]" 1
637 1 67 ARG H 1 67 ARG QB . . 3.020 2.713 2.292 3.110 0.090 18 0 "[ . 1 . 2]" 1
638 1 67 ARG H 1 68 GLY H . . 2.910 2.478 2.161 2.630 . 0 0 "[ . 1 . 2]" 1
639 1 67 ARG HA 1 67 ARG QB . . 2.630 2.472 2.400 2.533 . 0 0 "[ . 1 . 2]" 1
640 1 67 ARG HA 1 67 ARG QD . . 3.600 2.742 1.958 3.622 0.022 5 0 "[ . 1 . 2]" 1
641 1 67 ARG HA 1 67 ARG QG . . 3.020 2.390 2.220 3.001 . 0 0 "[ . 1 . 2]" 1
642 1 67 ARG HA 1 68 GLY QA . . 4.460 4.148 4.087 4.181 . 0 0 "[ . 1 . 2]" 1
643 1 67 ARG QB 1 68 GLY H . . 3.100 3.559 3.430 3.654 0.554 6 10 "[ ** .+* 1 ** .*-* *]" 1
644 1 67 ARG QD 1 68 GLY H . . 4.390 4.393 4.295 4.477 0.087 12 0 "[ . 1 . 2]" 1
645 1 68 GLY H 1 68 GLY QA . . 2.420 2.325 2.194 2.422 0.002 5 0 "[ . 1 . 2]" 1
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