NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
615615 |
2nc2   |
26001 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nc2
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 867
_Distance_constraint_stats_list.Viol_count 1765
_Distance_constraint_stats_list.Viol_total 3322.393
_Distance_constraint_stats_list.Viol_max 0.860
_Distance_constraint_stats_list.Viol_rms 0.0482
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.0941
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PHE 11.901 0.202 8 0 "[ . 1 . 2]"
1 3 GLY 6.224 0.202 8 0 "[ . 1 . 2]"
1 4 GLY 1.515 0.320 18 0 "[ . 1 . 2]"
1 5 GLU 6.407 0.352 13 0 "[ . 1 . 2]"
1 6 CYS 11.900 0.324 16 0 "[ . 1 . 2]"
1 7 SER 9.761 0.747 4 5 "[ +.-* 1 * .* 2]"
1 8 LEU 16.316 0.779 4 8 "[* +. * ** * *- 2]"
1 9 LYS 21.515 0.779 4 12 "[***+. ****- * ** 2]"
1 10 HIS 11.927 0.672 10 12 "[****. ***+- * ** 2]"
1 11 ASN 5.744 0.521 12 2 "[ . 1 + .- 2]"
1 12 THR 7.114 0.747 4 5 "[ +.-* 1 * .* 2]"
1 13 CYS 1.906 0.136 5 0 "[ . 1 . 2]"
1 14 THR 5.039 0.396 18 0 "[ . 1 . 2]"
1 15 TYR 7.713 0.217 19 0 "[ . 1 . 2]"
1 16 LEU 7.317 0.209 6 0 "[ . 1 . 2]"
1 17 LYS 1.604 0.100 18 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.384 0.097 18 0 "[ . 1 . 2]"
1 20 LYS 3.052 0.162 9 0 "[ . 1 . 2]"
1 21 ASN 5.901 0.396 18 0 "[ . 1 . 2]"
1 22 HIS 0.624 0.115 18 0 "[ . 1 . 2]"
1 23 VAL 2.059 0.103 13 0 "[ . 1 . 2]"
1 24 VAL 4.455 0.149 11 0 "[ . 1 . 2]"
1 25 ASN 4.162 0.208 10 0 "[ . 1 . 2]"
1 26 CYS 8.439 0.255 16 0 "[ . 1 . 2]"
1 27 GLY 0.905 0.069 9 0 "[ . 1 . 2]"
1 28 SER 1.722 0.860 20 1 "[ . 1 . +]"
1 29 ALA 1.123 0.860 20 1 "[ . 1 . +]"
1 30 ALA 4.901 0.317 20 0 "[ . 1 . 2]"
1 31 ASN 4.061 0.193 1 0 "[ . 1 . 2]"
1 32 LYS 3.849 0.193 1 0 "[ . 1 . 2]"
1 33 LYS 8.993 0.828 18 1 "[ . 1 . + 2]"
1 34 CYS 8.421 0.828 18 1 "[ . 1 . + 2]"
1 35 LYS 4.478 0.620 5 1 "[ + 1 . 2]"
1 36 SER 0.649 0.061 7 0 "[ . 1 . 2]"
1 37 ASP 6.572 0.132 9 0 "[ . 1 . 2]"
1 38 ARG 3.510 0.180 18 0 "[ . 1 . 2]"
1 39 HIS 5.965 0.281 13 0 "[ . 1 . 2]"
1 40 HIS 7.610 0.543 13 3 "[ . 1 + * -]"
1 41 CYS 2.342 0.200 12 0 "[ . 1 . 2]"
1 42 GLU 6.136 0.276 11 0 "[ . 1 . 2]"
1 43 TYR 5.108 0.160 16 0 "[ . 1 . 2]"
1 44 ASP 7.642 0.821 18 5 "[- .* 1 * .* + 2]"
1 45 GLU 6.782 0.792 18 4 "[ .- 1 * .* + 2]"
1 46 HIS 2.992 0.268 16 0 "[ . 1 . 2]"
1 47 HIS 1.525 0.165 18 0 "[ . 1 . 2]"
1 48 LYS 4.948 0.821 18 4 "[ .- 1 * .* + 2]"
1 49 ARG 5.741 0.709 8 4 "[* . + 1* .- 2]"
1 50 VAL 8.239 0.709 8 4 "[* . + 1* .- 2]"
1 51 ASP 4.428 0.182 12 0 "[ . 1 . 2]"
1 52 CYS 13.302 0.255 16 0 "[ . 1 . 2]"
1 53 GLN 4.393 0.462 16 0 "[ . 1 . 2]"
1 54 THR 11.331 0.276 11 0 "[ . 1 . 2]"
1 55 PRO 1.451 0.085 19 0 "[ . 1 . 2]"
1 56 VAL 2.140 0.122 12 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 2 PHE H 1 2 PHE HB2 . . 3.980 3.681 3.612 3.767 . 0 0 "[ . 1 . 2]" 1
2 1 2 PHE H 1 2 PHE QD . . 5.020 2.455 2.084 2.587 . 0 0 "[ . 1 . 2]" 1
3 1 2 PHE H 1 2 PHE QE . . 4.290 4.317 4.145 4.418 0.128 8 0 "[ . 1 . 2]" 1
4 1 2 PHE H 1 3 GLY H . . 5.440 3.391 2.224 4.562 . 0 0 "[ . 1 . 2]" 1
5 1 2 PHE HA 1 3 GLY H . . 3.080 2.906 2.477 3.282 0.202 8 0 "[ . 1 . 2]" 1
6 1 2 PHE HB2 1 3 GLY H . . 4.320 3.380 2.198 4.454 0.134 20 0 "[ . 1 . 2]" 1
7 1 2 PHE HB2 1 15 TYR HA . . 5.500 4.970 4.738 5.202 . 0 0 "[ . 1 . 2]" 1
8 1 2 PHE HB2 1 15 TYR HB2 . . 3.410 3.044 2.603 3.442 0.032 4 0 "[ . 1 . 2]" 1
9 1 2 PHE HB2 1 15 TYR QD . . 3.530 3.170 2.463 3.537 0.007 18 0 "[ . 1 . 2]" 1
10 1 2 PHE HB2 1 15 TYR QE . . 5.500 5.164 4.319 5.579 0.079 12 0 "[ . 1 . 2]" 1
11 1 2 PHE HB2 1 16 LEU H . . 5.240 3.641 3.404 4.015 . 0 0 "[ . 1 . 2]" 1
12 1 2 PHE HB3 1 3 GLY H . . 4.910 3.974 3.683 4.204 . 0 0 "[ . 1 . 2]" 1
13 1 2 PHE QD 1 3 GLY H . . 5.310 3.129 2.330 3.859 . 0 0 "[ . 1 . 2]" 1
14 1 2 PHE QD 1 3 GLY HA2 . . 4.060 3.552 3.078 3.989 . 0 0 "[ . 1 . 2]" 1
15 1 2 PHE QD 1 3 GLY HA3 . . 5.500 4.550 4.005 5.040 . 0 0 "[ . 1 . 2]" 1
16 1 2 PHE QD 1 4 GLY H . . 5.160 4.168 3.804 4.451 . 0 0 "[ . 1 . 2]" 1
17 1 2 PHE QD 1 15 TYR HB2 . . 5.000 2.013 1.894 2.331 . 0 0 "[ . 1 . 2]" 1
18 1 2 PHE QD 1 15 TYR QD . . 4.930 3.214 2.843 3.449 . 0 0 "[ . 1 . 2]" 1
19 1 2 PHE QD 1 15 TYR QE . . 5.500 4.818 4.565 5.166 . 0 0 "[ . 1 . 2]" 1
20 1 2 PHE QD 1 16 LEU HG . . 5.390 5.425 4.876 5.568 0.178 14 0 "[ . 1 . 2]" 1
21 1 2 PHE QD 1 43 TYR HB3 . . 4.670 4.260 3.684 4.830 0.160 16 0 "[ . 1 . 2]" 1
22 1 2 PHE QD 1 45 GLU H . . 5.500 5.588 5.502 5.653 0.153 14 0 "[ . 1 . 2]" 1
23 1 2 PHE QD 1 45 GLU QG . . 5.500 4.301 4.000 4.626 . 0 0 "[ . 1 . 2]" 1
24 1 2 PHE QE 1 3 GLY H . . 5.300 4.760 4.494 4.899 . 0 0 "[ . 1 . 2]" 1
25 1 2 PHE QE 1 3 GLY HA2 . . 4.030 4.061 3.858 4.154 0.124 15 0 "[ . 1 . 2]" 1
26 1 2 PHE QE 1 3 GLY HA3 . . 5.500 5.514 5.397 5.599 0.099 15 0 "[ . 1 . 2]" 1
27 1 2 PHE QE 1 4 GLY H . . 5.040 4.161 3.828 4.356 . 0 0 "[ . 1 . 2]" 1
28 1 2 PHE QE 1 4 GLY QA . . 4.720 4.332 3.601 4.747 0.027 11 0 "[ . 1 . 2]" 1
29 1 2 PHE QE 1 15 TYR HB3 . . 4.070 3.119 2.344 3.605 . 0 0 "[ . 1 . 2]" 1
30 1 2 PHE QE 1 15 TYR QD . . 4.270 4.019 3.325 4.363 0.093 8 0 "[ . 1 . 2]" 1
31 1 2 PHE QE 1 15 TYR QE . . 5.480 5.035 4.235 5.463 . 0 0 "[ . 1 . 2]" 1
32 1 2 PHE QE 1 43 TYR H . . 4.630 2.362 1.894 3.092 . 0 0 "[ . 1 . 2]" 1
33 1 2 PHE QE 1 43 TYR HB3 . . 4.070 2.626 2.335 2.963 . 0 0 "[ . 1 . 2]" 1
34 1 2 PHE QE 1 43 TYR QD . . 4.060 3.662 3.344 4.139 0.079 13 0 "[ . 1 . 2]" 1
35 1 2 PHE QE 1 44 ASP HA . . 5.500 4.498 4.183 4.803 . 0 0 "[ . 1 . 2]" 1
36 1 2 PHE QE 1 45 GLU H . . 5.500 4.291 3.494 4.847 . 0 0 "[ . 1 . 2]" 1
37 1 3 GLY H 1 4 GLY H . . 5.430 4.411 4.156 4.564 . 0 0 "[ . 1 . 2]" 1
38 1 3 GLY H 1 16 LEU H . . 5.500 4.751 3.642 5.642 0.142 8 0 "[ . 1 . 2]" 1
39 1 3 GLY HA2 1 15 TYR HB2 . . 5.130 4.954 4.765 5.157 0.027 17 0 "[ . 1 . 2]" 1
40 1 3 GLY HA3 1 4 GLY H . . 3.430 3.089 3.001 3.116 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLY H 1 15 TYR HB3 . . 4.210 4.211 4.113 4.279 0.069 2 0 "[ . 1 . 2]" 1
42 1 4 GLY H 1 41 CYS H . . 3.690 3.568 3.445 3.707 0.017 5 0 "[ . 1 . 2]" 1
43 1 4 GLY H 1 42 GLU HA . . 4.790 4.259 4.004 4.645 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLY H 1 42 GLU QG . . 5.230 4.926 4.626 5.232 0.002 12 0 "[ . 1 . 2]" 1
45 1 4 GLY QA 1 5 GLU H . . 3.070 2.282 2.279 2.284 . 0 0 "[ . 1 . 2]" 1
46 1 4 GLY QA 1 5 GLU HG3 . . 5.500 3.659 3.192 5.820 0.320 18 0 "[ . 1 . 2]" 1
47 1 4 GLY QA 1 14 THR H . . 5.400 3.288 3.173 3.413 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLY QA 1 15 TYR H . . 5.070 4.264 4.211 4.314 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLY QA 1 15 TYR HA . . 3.630 2.736 2.637 2.806 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLY QA 1 15 TYR HB2 . . 4.640 3.813 3.589 3.994 . 0 0 "[ . 1 . 2]" 1
51 1 4 GLY QA 1 15 TYR HB3 . . 4.690 2.828 2.595 2.950 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLY QA 1 15 TYR QD . . 5.130 4.274 4.111 4.492 . 0 0 "[ . 1 . 2]" 1
53 1 4 GLY QA 1 16 LEU H . . 5.080 4.441 4.258 4.578 . 0 0 "[ . 1 . 2]" 1
54 1 5 GLU H 1 5 GLU QB . . 3.770 2.657 2.561 2.711 . 0 0 "[ . 1 . 2]" 1
55 1 5 GLU H 1 5 GLU HG2 . . 4.490 3.580 2.668 4.238 . 0 0 "[ . 1 . 2]" 1
56 1 5 GLU H 1 5 GLU HG3 . . 4.640 2.822 2.429 4.123 . 0 0 "[ . 1 . 2]" 1
57 1 5 GLU H 1 6 CYS H . . 4.770 4.511 4.483 4.518 . 0 0 "[ . 1 . 2]" 1
58 1 5 GLU H 1 6 CYS HA . . 5.500 4.990 4.916 5.006 . 0 0 "[ . 1 . 2]" 1
59 1 5 GLU H 1 14 THR H . . 3.910 2.636 2.420 2.871 . 0 0 "[ . 1 . 2]" 1
60 1 5 GLU H 1 14 THR HB . . 4.180 3.062 2.883 3.194 . 0 0 "[ . 1 . 2]" 1
61 1 5 GLU H 1 14 THR MG . . 5.300 4.339 4.174 4.529 . 0 0 "[ . 1 . 2]" 1
62 1 5 GLU H 1 15 TYR H . . 5.500 5.360 5.214 5.459 . 0 0 "[ . 1 . 2]" 1
63 1 5 GLU H 1 15 TYR HA . . 4.420 4.528 4.409 4.637 0.217 19 0 "[ . 1 . 2]" 1
64 1 5 GLU HA 1 5 GLU HG2 . . 3.630 2.986 2.588 3.623 . 0 0 "[ . 1 . 2]" 1
65 1 5 GLU HA 1 6 CYS H . . 2.900 2.306 2.295 2.317 . 0 0 "[ . 1 . 2]" 1
66 1 5 GLU HA 1 6 CYS HA . . 4.670 4.410 4.408 4.412 . 0 0 "[ . 1 . 2]" 1
67 1 5 GLU HA 1 6 CYS HB2 . . 5.500 4.274 4.239 4.317 . 0 0 "[ . 1 . 2]" 1
68 1 5 GLU HA 1 40 HIS HA . . 3.930 2.206 2.093 2.445 . 0 0 "[ . 1 . 2]" 1
69 1 5 GLU HA 1 40 HIS HB2 . . 4.390 3.961 3.740 4.742 0.352 13 0 "[ . 1 . 2]" 1
70 1 5 GLU HA 1 40 HIS HB3 . . 5.120 4.129 3.511 4.389 . 0 0 "[ . 1 . 2]" 1
71 1 5 GLU QB 1 6 CYS H . . 3.930 2.674 2.619 2.856 . 0 0 "[ . 1 . 2]" 1
72 1 5 GLU QB 1 14 THR HB . . 3.760 3.633 3.480 3.814 0.054 18 0 "[ . 1 . 2]" 1
73 1 5 GLU QB 1 14 THR MG . . 4.850 4.723 4.669 4.788 . 0 0 "[ . 1 . 2]" 1
74 1 5 GLU QB 1 38 ARG HA . . 4.010 4.112 4.070 4.190 0.180 18 0 "[ . 1 . 2]" 1
75 1 5 GLU HG2 1 6 CYS H . . 5.500 4.423 3.858 4.795 . 0 0 "[ . 1 . 2]" 1
76 1 5 GLU HG2 1 40 HIS HA . . 5.500 4.728 4.206 5.629 0.129 18 0 "[ . 1 . 2]" 1
77 1 5 GLU HG3 1 6 CYS H . . 5.500 4.685 3.173 5.115 . 0 0 "[ . 1 . 2]" 1
78 1 5 GLU HG3 1 14 THR H . . 5.500 5.066 4.634 5.526 0.026 8 0 "[ . 1 . 2]" 1
79 1 5 GLU HG3 1 40 HIS HA . . 5.500 5.155 4.411 5.515 0.015 19 0 "[ . 1 . 2]" 1
80 1 6 CYS H 1 6 CYS HB3 . . 3.920 2.711 2.678 2.737 . 0 0 "[ . 1 . 2]" 1
81 1 6 CYS H 1 38 ARG HA . . 4.850 4.848 4.731 4.896 0.046 1 0 "[ . 1 . 2]" 1
82 1 6 CYS H 1 39 HIS H . . 4.540 4.551 4.509 4.586 0.046 12 0 "[ . 1 . 2]" 1
83 1 6 CYS H 1 39 HIS HA . . 5.500 4.889 4.827 4.954 . 0 0 "[ . 1 . 2]" 1
84 1 6 CYS H 1 39 HIS HB3 . . 5.370 3.954 3.880 4.076 . 0 0 "[ . 1 . 2]" 1
85 1 6 CYS H 1 41 CYS HB3 . . 5.070 3.976 3.819 4.517 . 0 0 "[ . 1 . 2]" 1
86 1 6 CYS HA 1 7 SER H . . 2.940 2.211 2.206 2.214 . 0 0 "[ . 1 . 2]" 1
87 1 6 CYS HA 1 7 SER HA . . 4.480 4.364 4.363 4.367 . 0 0 "[ . 1 . 2]" 1
88 1 6 CYS HA 1 7 SER HB2 . . 5.170 4.648 4.095 5.494 0.324 16 0 "[ . 1 . 2]" 1
89 1 6 CYS HA 1 7 SER HB3 . . 5.500 5.005 4.552 5.400 . 0 0 "[ . 1 . 2]" 1
90 1 6 CYS HA 1 12 THR H . . 5.130 3.505 3.454 3.569 . 0 0 "[ . 1 . 2]" 1
91 1 6 CYS HA 1 12 THR HB . . 5.500 5.407 5.335 5.462 . 0 0 "[ . 1 . 2]" 1
92 1 6 CYS HA 1 13 CYS HA . . 3.340 3.432 3.384 3.476 0.136 5 0 "[ . 1 . 2]" 1
93 1 6 CYS HA 1 34 CYS HB2 . . 5.050 5.164 5.083 5.245 0.195 4 0 "[ . 1 . 2]" 1
94 1 6 CYS HA 1 34 CYS HB3 . . 5.500 5.568 5.535 5.627 0.127 12 0 "[ . 1 . 2]" 1
95 1 6 CYS HA 1 41 CYS H . . 5.260 5.023 4.910 5.170 . 0 0 "[ . 1 . 2]" 1
96 1 6 CYS HA 1 41 CYS HB3 . . 5.210 3.196 2.961 3.861 . 0 0 "[ . 1 . 2]" 1
97 1 6 CYS HB2 1 7 SER H . . 4.170 4.143 4.116 4.170 . 3 0 "[ . 1 . 2]" 1
98 1 6 CYS HB2 1 41 CYS HA . . 4.840 3.494 3.297 3.921 . 0 0 "[ . 1 . 2]" 1
99 1 6 CYS HB2 1 41 CYS HB3 . . 4.120 1.830 1.798 1.856 . 0 0 "[ . 1 . 2]" 1
100 1 6 CYS HB2 1 52 CYS HA . . 4.900 3.982 3.893 4.085 . 0 0 "[ . 1 . 2]" 1
101 1 6 CYS HB2 1 52 CYS HB3 . . 4.410 4.528 4.488 4.558 0.148 3 0 "[ . 1 . 2]" 1
102 1 6 CYS HB2 1 53 GLN H . . 5.500 4.096 4.013 4.219 . 0 0 "[ . 1 . 2]" 1
103 1 6 CYS HB3 1 7 SER H . . 4.120 3.917 3.887 3.966 . 0 0 "[ . 1 . 2]" 1
104 1 6 CYS HB3 1 34 CYS HB2 . . 4.650 4.256 4.127 4.331 . 0 0 "[ . 1 . 2]" 1
105 1 6 CYS HB3 1 39 HIS H . . 4.470 4.429 4.247 4.526 0.056 4 0 "[ . 1 . 2]" 1
106 1 6 CYS HB3 1 39 HIS HA . . 5.060 4.773 4.626 4.867 . 0 0 "[ . 1 . 2]" 1
107 1 6 CYS HB3 1 39 HIS HB3 . . 4.830 2.309 2.173 2.431 . 0 0 "[ . 1 . 2]" 1
108 1 6 CYS HB3 1 41 CYS HB3 . . 4.900 3.564 3.393 3.604 . 0 0 "[ . 1 . 2]" 1
109 1 6 CYS HB3 1 52 CYS HB3 . . 4.920 5.001 4.961 5.023 0.103 18 0 "[ . 1 . 2]" 1
110 1 6 CYS HB3 1 53 GLN H . . 5.500 4.372 4.273 4.514 . 0 0 "[ . 1 . 2]" 1
111 1 7 SER H 1 7 SER HB2 . . 3.820 2.811 2.251 3.363 . 0 0 "[ . 1 . 2]" 1
112 1 7 SER H 1 7 SER HB3 . . 3.400 2.998 2.454 3.508 0.108 5 0 "[ . 1 . 2]" 1
113 1 7 SER H 1 8 LEU H . . 5.010 4.565 4.560 4.568 . 0 0 "[ . 1 . 2]" 1
114 1 7 SER H 1 11 ASN HA . . 5.000 2.665 2.456 2.807 . 0 0 "[ . 1 . 2]" 1
115 1 7 SER H 1 12 THR H . . 3.660 1.969 1.897 2.024 . 0 0 "[ . 1 . 2]" 1
116 1 7 SER H 1 13 CYS HA . . 5.070 4.906 4.848 4.979 . 0 0 "[ . 1 . 2]" 1
117 1 7 SER H 1 34 CYS HB2 . . 5.500 4.119 4.039 4.231 . 0 0 "[ . 1 . 2]" 1
118 1 7 SER H 1 37 ASP HA . . 5.060 4.558 4.534 4.584 . 0 0 "[ . 1 . 2]" 1
119 1 7 SER HA 1 8 LEU H . . 2.710 2.319 2.308 2.339 . 0 0 "[ . 1 . 2]" 1
120 1 7 SER HA 1 8 LEU HA . . 4.910 4.327 4.325 4.328 . 0 0 "[ . 1 . 2]" 1
121 1 7 SER HA 1 8 LEU HB2 . . 5.020 4.606 4.574 4.627 . 0 0 "[ . 1 . 2]" 1
122 1 7 SER HA 1 9 LYS H . . 4.750 4.592 4.565 4.632 . 0 0 "[ . 1 . 2]" 1
123 1 7 SER HA 1 10 HIS H . . 5.500 4.731 4.588 4.845 . 0 0 "[ . 1 . 2]" 1
124 1 7 SER HA 1 12 THR H . . 5.500 4.302 4.119 4.482 . 0 0 "[ . 1 . 2]" 1
125 1 7 SER HA 1 37 ASP HA . . 4.430 1.983 1.945 2.059 . 0 0 "[ . 1 . 2]" 1
126 1 7 SER HA 1 37 ASP QB . . 5.130 3.193 2.974 3.389 . 0 0 "[ . 1 . 2]" 1
127 1 7 SER HA 1 39 HIS H . . 5.310 5.344 5.291 5.391 0.081 3 0 "[ . 1 . 2]" 1
128 1 7 SER HB2 1 8 LEU H . . 4.340 3.681 2.864 4.159 . 0 0 "[ . 1 . 2]" 1
129 1 7 SER HB2 1 9 LYS H . . 5.500 4.662 3.336 5.309 . 0 0 "[ . 1 . 2]" 1
130 1 7 SER HB2 1 10 HIS H . . 5.310 3.541 2.161 4.166 . 0 0 "[ . 1 . 2]" 1
131 1 7 SER HB2 1 10 HIS HB2 . . 4.500 2.855 2.284 3.176 . 0 0 "[ . 1 . 2]" 1
132 1 7 SER HB2 1 10 HIS HB3 . . 5.210 4.274 3.686 4.619 . 0 0 "[ . 1 . 2]" 1
133 1 7 SER HB2 1 10 HIS HD2 . . 4.830 4.554 3.806 4.849 0.019 15 0 "[ . 1 . 2]" 1
134 1 7 SER HB2 1 11 ASN H . . 5.150 3.973 2.779 4.749 . 0 0 "[ . 1 . 2]" 1
135 1 7 SER HB2 1 12 THR H . . 4.140 2.837 1.933 3.406 . 0 0 "[ . 1 . 2]" 1
136 1 7 SER HB3 1 8 LEU H . . 4.930 3.401 3.006 3.827 . 0 0 "[ . 1 . 2]" 1
137 1 7 SER HB3 1 10 HIS H . . 4.330 3.092 2.347 3.650 . 0 0 "[ . 1 . 2]" 1
138 1 7 SER HB3 1 10 HIS HB2 . . 3.570 2.748 2.490 3.001 . 0 0 "[ . 1 . 2]" 1
139 1 7 SER HB3 1 10 HIS HB3 . . 4.420 4.126 3.669 4.679 0.259 5 0 "[ . 1 . 2]" 1
140 1 7 SER HB3 1 10 HIS HD2 . . 4.950 4.335 3.662 5.009 0.059 15 0 "[ . 1 . 2]" 1
141 1 7 SER HB3 1 11 ASN H . . 4.200 3.421 2.638 4.721 0.521 12 2 "[ . 1 + .- 2]" 1
142 1 7 SER HB3 1 12 THR H . . 3.380 2.921 1.928 4.127 0.747 4 5 "[ +.-* 1 * .* 2]" 1
143 1 8 LEU H 1 8 LEU HB2 . . 3.080 2.805 2.769 2.833 . 0 0 "[ . 1 . 2]" 1
144 1 8 LEU H 1 8 LEU HB3 . . 3.020 2.321 2.303 2.348 . 0 0 "[ . 1 . 2]" 1
145 1 8 LEU H 1 8 LEU QD . . 4.540 3.742 3.729 3.757 . 0 0 "[ . 1 . 2]" 1
146 1 8 LEU H 1 8 LEU HG . . 4.580 4.336 4.311 4.374 . 0 0 "[ . 1 . 2]" 1
147 1 8 LEU H 1 9 LYS H . . 3.240 2.565 2.550 2.580 . 0 0 "[ . 1 . 2]" 1
148 1 8 LEU H 1 9 LYS HA . . 5.500 5.158 5.146 5.168 . 0 0 "[ . 1 . 2]" 1
149 1 8 LEU H 1 9 LYS HB2 . . 5.370 5.267 4.562 6.149 0.779 4 8 "[* +. * *- * ** 2]" 1
150 1 8 LEU H 1 10 HIS H . . 5.350 3.697 3.565 3.775 . 0 0 "[ . 1 . 2]" 1
151 1 8 LEU H 1 11 ASN H . . 5.500 4.494 4.419 4.550 . 0 0 "[ . 1 . 2]" 1
152 1 8 LEU H 1 37 ASP HA . . 3.130 2.372 2.326 2.439 . 0 0 "[ . 1 . 2]" 1
153 1 8 LEU H 1 37 ASP QB . . 3.760 2.565 2.486 2.672 . 0 0 "[ . 1 . 2]" 1
154 1 8 LEU HA 1 8 LEU QD . . 3.690 1.982 1.947 2.008 . 0 0 "[ . 1 . 2]" 1
155 1 8 LEU HA 1 8 LEU HG . . 4.130 3.544 3.534 3.555 . 0 0 "[ . 1 . 2]" 1
156 1 8 LEU HA 1 11 ASN H . . 4.350 4.359 4.305 4.407 0.057 14 0 "[ . 1 . 2]" 1
157 1 8 LEU HA 1 11 ASN HA . . 5.220 4.396 4.349 4.433 . 0 0 "[ . 1 . 2]" 1
158 1 8 LEU HA 1 33 LYS HB2 . . 5.500 5.590 5.496 5.701 0.201 16 0 "[ . 1 . 2]" 1
159 1 8 LEU HA 1 34 CYS H . . 4.900 4.226 4.141 4.293 . 0 0 "[ . 1 . 2]" 1
160 1 8 LEU HA 1 34 CYS HB2 . . 5.000 3.341 3.233 3.423 . 0 0 "[ . 1 . 2]" 1
161 1 8 LEU HA 1 34 CYS HB3 . . 3.760 2.699 2.590 2.866 . 0 0 "[ . 1 . 2]" 1
162 1 8 LEU HA 1 35 LYS H . . 5.500 4.271 4.228 4.338 . 0 0 "[ . 1 . 2]" 1
163 1 8 LEU HA 1 36 SER H . . 3.880 3.912 3.890 3.941 0.061 7 0 "[ . 1 . 2]" 1
164 1 8 LEU HA 1 36 SER HA . . 5.500 4.666 4.555 4.762 . 0 0 "[ . 1 . 2]" 1
165 1 8 LEU HA 1 37 ASP H . . 4.620 4.676 4.656 4.692 0.072 7 0 "[ . 1 . 2]" 1
166 1 8 LEU HA 1 37 ASP HA . . 4.410 4.059 4.036 4.079 . 0 0 "[ . 1 . 2]" 1
167 1 8 LEU HA 1 37 ASP QB . . 4.620 4.680 4.652 4.696 0.076 11 0 "[ . 1 . 2]" 1
168 1 8 LEU HB2 1 9 LYS H . . 4.780 3.804 3.773 3.826 . 0 0 "[ . 1 . 2]" 1
169 1 8 LEU HB2 1 36 SER HA . . 3.440 2.960 2.860 3.073 . 0 0 "[ . 1 . 2]" 1
170 1 8 LEU HB2 1 37 ASP H . . 3.870 2.723 2.705 2.748 . 0 0 "[ . 1 . 2]" 1
171 1 8 LEU HB2 1 37 ASP HA . . 3.350 3.436 3.396 3.482 0.132 9 0 "[ . 1 . 2]" 1
172 1 8 LEU HB2 1 37 ASP QB . . 3.300 3.270 3.179 3.316 0.016 9 0 "[ . 1 . 2]" 1
173 1 8 LEU HB2 1 38 ARG H . . 5.090 5.150 5.117 5.186 0.096 5 0 "[ . 1 . 2]" 1
174 1 8 LEU HB3 1 9 LYS H . . 3.250 2.366 2.322 2.400 . 0 0 "[ . 1 . 2]" 1
175 1 8 LEU HB3 1 9 LYS QE . . 4.810 3.574 1.916 4.746 . 0 0 "[ . 1 . 2]" 1
176 1 8 LEU HB3 1 37 ASP H . . 4.410 3.688 3.609 3.795 . 0 0 "[ . 1 . 2]" 1
177 1 8 LEU HB3 1 37 ASP HA . . 3.830 3.887 3.853 3.927 0.097 5 0 "[ . 1 . 2]" 1
178 1 8 LEU HB3 1 37 ASP QB . . 3.480 2.943 2.882 2.978 . 0 0 "[ . 1 . 2]" 1
179 1 8 LEU QD 1 9 LYS H . . 4.920 3.563 3.530 3.597 . 0 0 "[ . 1 . 2]" 1
180 1 8 LEU QD 1 9 LYS HA . . 5.500 3.475 3.427 3.509 . 0 0 "[ . 1 . 2]" 1
181 1 8 LEU QD 1 9 LYS QE . . 4.690 3.165 2.323 3.611 . 0 0 "[ . 1 . 2]" 1
182 1 8 LEU QD 1 33 LYS HB2 . . 4.700 4.569 4.473 4.654 . 0 0 "[ . 1 . 2]" 1
183 1 8 LEU QD 1 33 LYS HD2 . . 5.500 3.983 3.705 6.140 0.640 18 1 "[ . 1 . + 2]" 1
184 1 8 LEU QD 1 34 CYS H . . 4.390 4.155 4.076 4.231 . 0 0 "[ . 1 . 2]" 1
185 1 8 LEU QD 1 34 CYS HB3 . . 5.260 3.518 3.483 3.600 . 0 0 "[ . 1 . 2]" 1
186 1 8 LEU QD 1 35 LYS H . . 5.500 3.586 3.567 3.616 . 0 0 "[ . 1 . 2]" 1
187 1 8 LEU QD 1 35 LYS HA . . 3.540 1.840 1.823 1.864 . 0 0 "[ . 1 . 2]" 1
188 1 8 LEU QD 1 35 LYS HB3 . . 4.680 3.561 3.415 3.729 . 0 0 "[ . 1 . 2]" 1
189 1 8 LEU QD 1 35 LYS HD2 . . 5.500 3.957 2.891 4.773 . 0 0 "[ . 1 . 2]" 1
190 1 8 LEU QD 1 35 LYS QG . . 3.240 3.135 3.081 3.159 . 0 0 "[ . 1 . 2]" 1
191 1 8 LEU QD 1 36 SER H . . 4.500 3.441 3.420 3.462 . 0 0 "[ . 1 . 2]" 1
192 1 8 LEU QD 1 36 SER HA . . 3.970 2.816 2.686 2.920 . 0 0 "[ . 1 . 2]" 1
193 1 8 LEU QD 1 37 ASP H . . 4.250 3.192 3.161 3.246 . 0 0 "[ . 1 . 2]" 1
194 1 8 LEU QD 1 37 ASP QB . . 4.650 3.787 3.714 3.870 . 0 0 "[ . 1 . 2]" 1
195 1 8 LEU QD 1 38 ARG H . . 5.500 5.256 5.242 5.280 . 0 0 "[ . 1 . 2]" 1
196 1 8 LEU HG 1 9 LYS H . . 4.350 3.188 3.119 3.255 . 0 0 "[ . 1 . 2]" 1
197 1 8 LEU HG 1 9 LYS HA . . 4.170 3.677 3.631 3.747 . 0 0 "[ . 1 . 2]" 1
198 1 8 LEU HG 1 9 LYS QE . . 3.840 3.158 2.165 3.637 . 0 0 "[ . 1 . 2]" 1
199 1 8 LEU HG 1 37 ASP H . . 5.500 5.426 5.388 5.483 . 0 0 "[ . 1 . 2]" 1
200 1 8 LEU HG 1 37 ASP QB . . 5.050 5.068 5.025 5.107 0.057 12 0 "[ . 1 . 2]" 1
201 1 9 LYS H 1 9 LYS HB2 . . 3.000 2.835 2.188 3.615 0.615 4 8 "[* +. * *- * ** 2]" 1
202 1 9 LYS H 1 9 LYS HB3 . . 4.120 3.306 2.884 3.639 . 0 0 "[ . 1 . 2]" 1
203 1 9 LYS H 1 9 LYS HG2 . . 4.490 3.334 1.887 4.390 . 0 0 "[ . 1 . 2]" 1
204 1 9 LYS H 1 9 LYS HG3 . . 4.930 3.460 2.653 4.117 . 0 0 "[ . 1 . 2]" 1
205 1 9 LYS H 1 10 HIS H . . 3.450 2.344 2.285 2.379 . 0 0 "[ . 1 . 2]" 1
206 1 9 LYS H 1 10 HIS HD2 . . 5.290 3.736 3.451 4.128 . 0 0 "[ . 1 . 2]" 1
207 1 9 LYS H 1 37 ASP HA . . 5.500 4.910 4.866 4.978 . 0 0 "[ . 1 . 2]" 1
208 1 9 LYS H 1 37 ASP QB . . 5.110 4.163 4.102 4.271 . 0 0 "[ . 1 . 2]" 1
209 1 9 LYS HA 1 9 LYS HG2 . . 4.150 3.445 3.019 3.603 . 0 0 "[ . 1 . 2]" 1
210 1 9 LYS HB2 1 10 HIS H . . 4.190 3.018 2.483 3.647 . 0 0 "[ . 1 . 2]" 1
211 1 9 LYS HB2 1 10 HIS HD2 . . 4.920 3.394 2.486 4.284 . 0 0 "[ . 1 . 2]" 1
212 1 9 LYS HB3 1 10 HIS H . . 3.640 3.634 3.162 4.062 0.422 17 0 "[ . 1 . 2]" 1
213 1 9 LYS HB3 1 10 HIS HD2 . . 4.210 4.286 3.173 4.882 0.672 10 8 "[- *. * *+ * ** 2]" 1
214 1 9 LYS QD 1 37 ASP QB . . 4.900 4.500 3.670 4.901 0.001 8 0 "[ . 1 . 2]" 1
215 1 9 LYS QE 1 9 LYS HG2 . . 3.760 2.466 1.956 3.534 . 0 0 "[ . 1 . 2]" 1
216 1 9 LYS HG2 1 10 HIS H . . 5.500 3.811 1.824 5.132 . 0 0 "[ . 1 . 2]" 1
217 1 9 LYS HG3 1 10 HIS HD2 . . 5.500 4.345 2.248 6.111 0.611 2 4 "[ +* . * 1- . 2]" 1
218 1 10 HIS H 1 10 HIS HB2 . . 3.420 2.565 2.424 2.718 . 0 0 "[ . 1 . 2]" 1
219 1 10 HIS H 1 10 HIS HB3 . . 3.990 3.651 3.631 3.664 . 0 0 "[ . 1 . 2]" 1
220 1 10 HIS H 1 10 HIS HD2 . . 4.350 2.520 2.245 2.889 . 0 0 "[ . 1 . 2]" 1
221 1 10 HIS H 1 11 ASN H . . 3.190 2.738 2.688 2.773 . 0 0 "[ . 1 . 2]" 1
222 1 10 HIS H 1 12 THR H . . 5.120 5.114 5.038 5.170 0.050 14 0 "[ . 1 . 2]" 1
223 1 10 HIS HB2 1 10 HIS HD2 . . 3.770 2.845 2.785 2.964 . 0 0 "[ . 1 . 2]" 1
224 1 10 HIS HB2 1 11 ASN H . . 4.840 3.958 3.944 3.989 . 0 0 "[ . 1 . 2]" 1
225 1 10 HIS HB2 1 12 THR H . . 4.290 4.256 4.172 4.346 0.056 4 0 "[ . 1 . 2]" 1
226 1 10 HIS HB2 1 12 THR MG . . 4.580 3.868 3.474 4.204 . 0 0 "[ . 1 . 2]" 1
227 1 10 HIS HB3 1 11 ASN H . . 4.850 4.476 4.403 4.545 . 0 0 "[ . 1 . 2]" 1
228 1 10 HIS HB3 1 12 THR H . . 5.190 4.822 4.524 5.135 . 0 0 "[ . 1 . 2]" 1
229 1 10 HIS HB3 1 12 THR MG . . 3.660 2.996 2.834 3.162 . 0 0 "[ . 1 . 2]" 1
230 1 10 HIS HD2 1 11 ASN H . . 5.500 5.191 4.968 5.487 . 0 0 "[ . 1 . 2]" 1
231 1 11 ASN H 1 12 THR H . . 3.900 3.923 3.899 3.964 0.064 14 0 "[ . 1 . 2]" 1
232 1 11 ASN H 1 34 CYS H . . 5.500 5.039 4.933 5.138 . 0 0 "[ . 1 . 2]" 1
233 1 11 ASN H 1 34 CYS HB2 . . 5.360 4.642 4.530 4.763 . 0 0 "[ . 1 . 2]" 1
234 1 11 ASN HA 1 34 CYS H . . 4.310 4.253 4.126 4.371 0.061 14 0 "[ . 1 . 2]" 1
235 1 11 ASN HA 1 34 CYS HB2 . . 4.580 3.065 2.954 3.176 . 0 0 "[ . 1 . 2]" 1
236 1 11 ASN HA 1 34 CYS HB3 . . 4.340 4.323 4.200 4.423 0.083 11 0 "[ . 1 . 2]" 1
237 1 11 ASN HB2 1 33 LYS HA . . 4.200 3.878 3.393 4.175 . 0 0 "[ . 1 . 2]" 1
238 1 11 ASN HB2 1 33 LYS HB3 . . 5.420 4.665 4.213 4.967 . 0 0 "[ . 1 . 2]" 1
239 1 11 ASN HB2 1 34 CYS H . . 3.950 3.109 2.952 3.338 . 0 0 "[ . 1 . 2]" 1
240 1 11 ASN HB3 1 25 ASN QD . . 5.500 4.721 4.248 5.576 0.076 5 0 "[ . 1 . 2]" 1
241 1 11 ASN HB3 1 26 CYS HB3 . . 5.500 4.644 4.237 5.227 . 0 0 "[ . 1 . 2]" 1
242 1 11 ASN HB3 1 33 LYS HA . . 4.370 4.280 3.791 4.538 0.168 11 0 "[ . 1 . 2]" 1
243 1 11 ASN QD 1 25 ASN QD . . 5.500 3.763 3.032 4.204 . 0 0 "[ . 1 . 2]" 1
244 1 11 ASN QD 1 26 CYS H . . 5.050 3.814 3.423 4.037 . 0 0 "[ . 1 . 2]" 1
245 1 11 ASN QD 1 26 CYS HB2 . . 3.910 2.834 2.405 3.103 . 0 0 "[ . 1 . 2]" 1
246 1 11 ASN QD 1 26 CYS HB3 . . 4.310 2.165 1.851 2.775 . 0 0 "[ . 1 . 2]" 1
247 1 11 ASN QD 1 27 GLY H . . 5.330 4.787 4.724 4.903 . 0 0 "[ . 1 . 2]" 1
248 1 11 ASN QD 1 27 GLY HA2 . . 5.500 4.500 4.053 4.782 . 0 0 "[ . 1 . 2]" 1
249 1 11 ASN QD 1 28 SER H . . 5.500 2.779 2.471 3.441 . 0 0 "[ . 1 . 2]" 1
250 1 11 ASN QD 1 28 SER HA . . 4.820 3.983 3.807 4.362 . 0 0 "[ . 1 . 2]" 1
251 1 11 ASN QD 1 33 LYS H . . 5.310 4.935 4.628 5.313 0.003 3 0 "[ . 1 . 2]" 1
252 1 11 ASN QD 1 33 LYS HA . . 4.040 2.568 2.252 3.014 . 0 0 "[ . 1 . 2]" 1
253 1 11 ASN QD 1 33 LYS HB2 . . 4.510 4.090 4.038 4.156 . 0 0 "[ . 1 . 2]" 1
254 1 11 ASN QD 1 33 LYS HB3 . . 4.580 3.792 3.486 4.112 . 0 0 "[ . 1 . 2]" 1
255 1 11 ASN QD 1 34 CYS H . . 4.960 3.792 3.589 4.144 . 0 0 "[ . 1 . 2]" 1
256 1 12 THR H 1 12 THR MG . . 3.930 3.428 3.398 3.453 . 0 0 "[ . 1 . 2]" 1
257 1 12 THR H 1 13 CYS H . . 5.050 4.463 4.455 4.475 . 0 0 "[ . 1 . 2]" 1
258 1 12 THR H 1 26 CYS H . . 5.130 5.181 5.080 5.311 0.181 11 0 "[ . 1 . 2]" 1
259 1 12 THR HA 1 12 THR MG . . 3.360 2.099 2.015 2.186 . 0 0 "[ . 1 . 2]" 1
260 1 12 THR HA 1 13 CYS H . . 2.870 2.390 2.370 2.402 . 0 0 "[ . 1 . 2]" 1
261 1 12 THR HA 1 25 ASN HA . . 3.360 2.754 2.580 2.945 . 0 0 "[ . 1 . 2]" 1
262 1 12 THR HA 1 25 ASN QD . . 5.330 4.114 3.746 4.464 . 0 0 "[ . 1 . 2]" 1
263 1 12 THR HA 1 26 CYS H . . 3.090 2.720 2.574 2.826 . 0 0 "[ . 1 . 2]" 1
264 1 12 THR HA 1 26 CYS HB2 . . 5.500 3.082 2.896 3.322 . 0 0 "[ . 1 . 2]" 1
265 1 12 THR HB 1 13 CYS H . . 2.970 2.484 2.454 2.539 . 0 0 "[ . 1 . 2]" 1
266 1 12 THR HB 1 23 VAL QG . . 3.510 3.454 3.113 3.588 0.078 5 0 "[ . 1 . 2]" 1
267 1 12 THR HB 1 24 VAL H . . 3.980 4.052 3.997 4.090 0.110 1 0 "[ . 1 . 2]" 1
268 1 12 THR HB 1 25 ASN HA . . 4.600 3.990 3.823 4.174 . 0 0 "[ . 1 . 2]" 1
269 1 12 THR HB 1 26 CYS H . . 5.500 5.100 4.857 5.281 . 0 0 "[ . 1 . 2]" 1
270 1 12 THR MG 1 13 CYS H . . 4.150 3.224 3.173 3.275 . 0 0 "[ . 1 . 2]" 1
271 1 12 THR MG 1 24 VAL H . . 5.200 4.308 4.204 4.390 . 0 0 "[ . 1 . 2]" 1
272 1 12 THR MG 1 25 ASN H . . 4.980 4.503 4.395 4.651 . 0 0 "[ . 1 . 2]" 1
273 1 12 THR MG 1 25 ASN HA . . 3.400 2.462 2.301 2.614 . 0 0 "[ . 1 . 2]" 1
274 1 12 THR MG 1 25 ASN HB2 . . 5.500 3.826 3.650 4.065 . 0 0 "[ . 1 . 2]" 1
275 1 12 THR MG 1 25 ASN QD . . 4.800 3.399 2.952 3.745 . 0 0 "[ . 1 . 2]" 1
276 1 12 THR MG 1 26 CYS H . . 4.280 3.290 3.074 3.429 . 0 0 "[ . 1 . 2]" 1
277 1 12 THR MG 1 26 CYS HB2 . . 5.500 4.373 4.194 4.503 . 0 0 "[ . 1 . 2]" 1
278 1 13 CYS H 1 13 CYS HB2 . . 3.610 2.443 2.414 2.455 . 0 0 "[ . 1 . 2]" 1
279 1 13 CYS H 1 13 CYS HB3 . . 3.630 3.603 3.534 3.638 0.008 5 0 "[ . 1 . 2]" 1
280 1 13 CYS H 1 14 THR H . . 4.580 4.337 4.277 4.369 . 0 0 "[ . 1 . 2]" 1
281 1 13 CYS H 1 14 THR HA . . 5.450 4.954 4.901 4.996 . 0 0 "[ . 1 . 2]" 1
282 1 13 CYS H 1 23 VAL HA . . 5.370 5.062 4.858 5.311 . 0 0 "[ . 1 . 2]" 1
283 1 13 CYS H 1 23 VAL QG . . 4.400 4.114 3.853 4.232 . 0 0 "[ . 1 . 2]" 1
284 1 13 CYS H 1 24 VAL H . . 3.470 3.276 3.127 3.412 . 0 0 "[ . 1 . 2]" 1
285 1 13 CYS H 1 24 VAL QG . . 4.580 3.059 2.831 3.918 . 0 0 "[ . 1 . 2]" 1
286 1 13 CYS H 1 25 ASN H . . 5.430 4.755 4.611 4.850 . 0 0 "[ . 1 . 2]" 1
287 1 13 CYS H 1 25 ASN HA . . 3.690 3.264 3.130 3.410 . 0 0 "[ . 1 . 2]" 1
288 1 13 CYS H 1 26 CYS H . . 4.260 4.102 3.815 4.293 0.033 19 0 "[ . 1 . 2]" 1
289 1 13 CYS H 1 50 VAL MG2 . . 5.500 5.194 5.087 5.367 . 0 0 "[ . 1 . 2]" 1
290 1 13 CYS HA 1 14 THR H . . 3.050 2.147 2.138 2.152 . 0 0 "[ . 1 . 2]" 1
291 1 13 CYS HB2 1 14 THR H . . 4.870 4.400 4.363 4.452 . 0 0 "[ . 1 . 2]" 1
292 1 13 CYS HB2 1 14 THR HA . . 5.400 5.138 5.062 5.232 . 0 0 "[ . 1 . 2]" 1
293 1 13 CYS HB2 1 24 VAL H . . 4.950 4.042 3.854 4.303 . 0 0 "[ . 1 . 2]" 1
294 1 13 CYS HB2 1 24 VAL QG . . 4.430 2.064 1.889 3.275 . 0 0 "[ . 1 . 2]" 1
295 1 13 CYS HB2 1 50 VAL MG1 . . 4.410 1.894 1.861 1.977 . 0 0 "[ . 1 . 2]" 1
296 1 13 CYS HB2 1 50 VAL MG2 . . 5.500 3.919 3.844 4.025 . 0 0 "[ . 1 . 2]" 1
297 1 13 CYS HB3 1 14 THR H . . 5.350 3.405 3.345 3.520 . 0 0 "[ . 1 . 2]" 1
298 1 13 CYS HB3 1 24 VAL H . . 5.010 4.507 4.304 4.654 . 0 0 "[ . 1 . 2]" 1
299 1 13 CYS HB3 1 24 VAL HB . . 5.500 4.393 2.818 4.759 . 0 0 "[ . 1 . 2]" 1
300 1 13 CYS HB3 1 24 VAL QG . . 4.340 2.380 2.223 2.953 . 0 0 "[ . 1 . 2]" 1
301 1 13 CYS HB3 1 50 VAL MG1 . . 5.000 2.595 2.390 2.703 . 0 0 "[ . 1 . 2]" 1
302 1 13 CYS HB3 1 50 VAL MG2 . . 5.110 4.719 4.594 4.835 . 0 0 "[ . 1 . 2]" 1
303 1 14 THR H 1 14 THR HB . . 3.280 2.776 2.690 2.922 . 0 0 "[ . 1 . 2]" 1
304 1 14 THR H 1 14 THR MG . . 4.670 3.909 3.878 3.946 . 0 0 "[ . 1 . 2]" 1
305 1 14 THR H 1 15 TYR H . . 5.100 4.131 4.106 4.176 . 0 0 "[ . 1 . 2]" 1
306 1 14 THR H 1 15 TYR HA . . 5.500 4.870 4.838 4.927 . 0 0 "[ . 1 . 2]" 1
307 1 14 THR H 1 15 TYR QD . . 5.500 4.412 4.244 4.707 . 0 0 "[ . 1 . 2]" 1
308 1 14 THR H 1 23 VAL QG . . 5.500 5.280 4.888 5.530 0.030 14 0 "[ . 1 . 2]" 1
309 1 14 THR H 1 24 VAL H . . 5.160 5.023 4.870 5.162 0.002 3 0 "[ . 1 . 2]" 1
310 1 14 THR HA 1 14 THR MG . . 3.410 2.347 2.252 2.395 . 0 0 "[ . 1 . 2]" 1
311 1 14 THR HA 1 15 TYR H . . 2.900 2.147 2.145 2.151 . 0 0 "[ . 1 . 2]" 1
312 1 14 THR HA 1 15 TYR HA . . 4.780 4.390 4.388 4.391 . 0 0 "[ . 1 . 2]" 1
313 1 14 THR HA 1 15 TYR HB3 . . 5.410 4.629 4.529 4.696 . 0 0 "[ . 1 . 2]" 1
314 1 14 THR HA 1 15 TYR QD . . 4.260 3.384 3.178 3.677 . 0 0 "[ . 1 . 2]" 1
315 1 14 THR HA 1 15 TYR QE . . 5.500 4.864 4.712 5.132 . 0 0 "[ . 1 . 2]" 1
316 1 14 THR HA 1 22 HIS H . . 4.450 4.350 4.159 4.545 0.095 17 0 "[ . 1 . 2]" 1
317 1 14 THR HA 1 23 VAL H . . 5.500 5.047 4.858 5.179 . 0 0 "[ . 1 . 2]" 1
318 1 14 THR HA 1 23 VAL HA . . 3.400 2.783 2.490 2.949 . 0 0 "[ . 1 . 2]" 1
319 1 14 THR HA 1 23 VAL QG . . 4.260 3.790 3.421 4.187 . 0 0 "[ . 1 . 2]" 1
320 1 14 THR HA 1 24 VAL H . . 4.230 3.519 3.355 3.677 . 0 0 "[ . 1 . 2]" 1
321 1 14 THR HB 1 15 TYR H . . 4.750 4.297 4.179 4.348 . 0 0 "[ . 1 . 2]" 1
322 1 14 THR HB 1 21 ASN HD21 . . 4.900 4.741 3.535 5.296 0.396 18 0 "[ . 1 . 2]" 1
323 1 14 THR HB 1 21 ASN HD22 . . 5.250 4.662 4.114 5.283 0.033 12 0 "[ . 1 . 2]" 1
324 1 14 THR HB 1 23 VAL HA . . 5.300 5.105 4.874 5.344 0.044 15 0 "[ . 1 . 2]" 1
325 1 14 THR MG 1 15 TYR H . . 3.910 2.826 2.733 3.029 . 0 0 "[ . 1 . 2]" 1
326 1 14 THR MG 1 15 TYR HA . . 5.040 3.729 3.631 4.003 . 0 0 "[ . 1 . 2]" 1
327 1 14 THR MG 1 15 TYR QD . . 5.500 4.587 4.385 4.876 . 0 0 "[ . 1 . 2]" 1
328 1 14 THR MG 1 21 ASN QB . . 3.590 3.094 2.845 3.642 0.052 17 0 "[ . 1 . 2]" 1
329 1 14 THR MG 1 21 ASN HD21 . . 4.760 2.748 1.875 3.535 . 0 0 "[ . 1 . 2]" 1
330 1 14 THR MG 1 21 ASN HD22 . . 4.990 2.355 1.868 3.238 . 0 0 "[ . 1 . 2]" 1
331 1 14 THR MG 1 22 HIS H . . 4.260 3.207 3.020 3.474 . 0 0 "[ . 1 . 2]" 1
332 1 14 THR MG 1 22 HIS HB2 . . 5.030 4.776 4.594 5.073 0.043 18 0 "[ . 1 . 2]" 1
333 1 14 THR MG 1 23 VAL H . . 5.500 4.717 4.285 5.039 . 0 0 "[ . 1 . 2]" 1
334 1 14 THR MG 1 23 VAL HA . . 4.210 3.256 2.733 3.551 . 0 0 "[ . 1 . 2]" 1
335 1 14 THR MG 1 23 VAL HB . . 5.320 4.671 3.027 5.332 0.012 5 0 "[ . 1 . 2]" 1
336 1 14 THR MG 1 23 VAL QG . . 3.490 2.938 2.089 3.566 0.076 14 0 "[ . 1 . 2]" 1
337 1 15 TYR H 1 15 TYR QD . . 3.630 2.244 1.976 2.607 . 0 0 "[ . 1 . 2]" 1
338 1 15 TYR H 1 15 TYR QE . . 5.500 3.952 3.844 4.076 . 0 0 "[ . 1 . 2]" 1
339 1 15 TYR H 1 16 LEU H . . 5.410 4.454 4.419 4.470 . 0 0 "[ . 1 . 2]" 1
340 1 15 TYR H 1 22 HIS H . . 3.990 3.189 3.024 3.328 . 0 0 "[ . 1 . 2]" 1
341 1 15 TYR H 1 22 HIS HB2 . . 4.790 3.475 3.228 3.838 . 0 0 "[ . 1 . 2]" 1
342 1 15 TYR H 1 22 HIS HD2 . . 5.500 5.187 5.031 5.332 . 0 0 "[ . 1 . 2]" 1
343 1 15 TYR H 1 23 VAL H . . 5.500 5.299 5.183 5.396 . 0 0 "[ . 1 . 2]" 1
344 1 15 TYR H 1 23 VAL HA . . 4.230 4.124 3.875 4.245 0.015 8 0 "[ . 1 . 2]" 1
345 1 15 TYR H 1 23 VAL QG . . 5.500 4.883 4.509 5.311 . 0 0 "[ . 1 . 2]" 1
346 1 15 TYR HA 1 15 TYR QD . . 4.040 3.720 3.696 3.740 . 0 0 "[ . 1 . 2]" 1
347 1 15 TYR HA 1 16 LEU H . . 2.790 2.371 2.260 2.445 . 0 0 "[ . 1 . 2]" 1
348 1 15 TYR HA 1 16 LEU QB . . 4.400 4.181 4.065 4.384 . 0 0 "[ . 1 . 2]" 1
349 1 15 TYR HB2 1 16 LEU H . . 3.440 2.534 2.372 2.820 . 0 0 "[ . 1 . 2]" 1
350 1 15 TYR HB3 1 16 LEU H . . 3.810 3.850 3.726 4.019 0.209 6 0 "[ . 1 . 2]" 1
351 1 15 TYR QD 1 16 LEU H . . 4.120 3.521 3.072 3.953 . 0 0 "[ . 1 . 2]" 1
352 1 15 TYR QD 1 16 LEU QB . . 5.500 5.159 4.910 5.423 . 0 0 "[ . 1 . 2]" 1
353 1 15 TYR QD 1 17 LYS H . . 5.420 4.154 3.605 4.814 . 0 0 "[ . 1 . 2]" 1
354 1 15 TYR QD 1 22 HIS H . . 5.020 4.551 4.377 4.636 . 0 0 "[ . 1 . 2]" 1
355 1 15 TYR QD 1 22 HIS HB2 . . 4.790 3.760 3.379 4.005 . 0 0 "[ . 1 . 2]" 1
356 1 15 TYR QD 1 22 HIS HD2 . . 5.280 4.552 3.962 4.935 . 0 0 "[ . 1 . 2]" 1
357 1 15 TYR QD 1 23 VAL HA . . 5.320 4.972 4.614 5.278 . 0 0 "[ . 1 . 2]" 1
358 1 15 TYR QD 1 24 VAL H . . 4.970 4.918 4.658 5.042 0.072 8 0 "[ . 1 . 2]" 1
359 1 15 TYR QD 1 24 VAL HB . . 5.500 5.450 4.379 5.638 0.138 5 0 "[ . 1 . 2]" 1
360 1 15 TYR QD 1 24 VAL QG . . 4.410 2.672 2.294 2.771 . 0 0 "[ . 1 . 2]" 1
361 1 15 TYR QD 1 43 TYR HB2 . . 4.710 3.926 3.419 4.207 . 0 0 "[ . 1 . 2]" 1
362 1 15 TYR QD 1 43 TYR HB3 . . 4.750 3.636 3.172 3.909 . 0 0 "[ . 1 . 2]" 1
363 1 15 TYR QD 1 45 GLU QG . . 4.130 4.050 3.776 4.305 0.175 12 0 "[ . 1 . 2]" 1
364 1 15 TYR QD 1 50 VAL MG1 . . 4.520 4.322 3.916 4.549 0.029 6 0 "[ . 1 . 2]" 1
365 1 15 TYR QE 1 22 HIS H . . 5.500 5.183 5.010 5.298 . 0 0 "[ . 1 . 2]" 1
366 1 15 TYR QE 1 22 HIS HB2 . . 4.630 3.370 3.154 3.531 . 0 0 "[ . 1 . 2]" 1
367 1 15 TYR QE 1 22 HIS HB3 . . 4.460 3.995 3.333 4.461 0.001 17 0 "[ . 1 . 2]" 1
368 1 15 TYR QE 1 22 HIS HD2 . . 4.860 4.563 4.070 4.876 0.016 12 0 "[ . 1 . 2]" 1
369 1 15 TYR QE 1 23 VAL H . . 5.500 5.358 5.102 5.545 0.045 18 0 "[ . 1 . 2]" 1
370 1 15 TYR QE 1 24 VAL H . . 5.470 4.883 4.537 5.411 . 0 0 "[ . 1 . 2]" 1
371 1 15 TYR QE 1 24 VAL HB . . 4.840 4.333 4.087 4.567 . 0 0 "[ . 1 . 2]" 1
372 1 15 TYR QE 1 24 VAL QG . . 4.220 1.981 1.827 2.200 . 0 0 "[ . 1 . 2]" 1
373 1 15 TYR QE 1 43 TYR HB2 . . 5.300 4.040 3.673 4.591 . 0 0 "[ . 1 . 2]" 1
374 1 15 TYR QE 1 43 TYR HB3 . . 5.410 3.967 3.748 4.331 . 0 0 "[ . 1 . 2]" 1
375 1 15 TYR QE 1 43 TYR QD . . 4.540 3.299 3.145 3.426 . 0 0 "[ . 1 . 2]" 1
376 1 15 TYR QE 1 45 GLU QG . . 5.500 2.819 2.550 3.363 . 0 0 "[ . 1 . 2]" 1
377 1 15 TYR QE 1 50 VAL MG1 . . 4.260 3.949 3.381 4.295 0.035 4 0 "[ . 1 . 2]" 1
378 1 15 TYR QE 1 50 VAL MG2 . . 4.630 4.506 4.194 4.801 0.171 4 0 "[ . 1 . 2]" 1
379 1 16 LEU H 1 16 LEU QB . . 3.050 2.939 2.820 3.072 0.022 18 0 "[ . 1 . 2]" 1
380 1 16 LEU H 1 16 LEU QD . . 4.650 3.017 2.773 3.214 . 0 0 "[ . 1 . 2]" 1
381 1 16 LEU H 1 16 LEU HG . . 4.490 2.239 2.084 2.434 . 0 0 "[ . 1 . 2]" 1
382 1 16 LEU H 1 17 LYS H . . 4.340 4.299 4.216 4.400 0.060 16 0 "[ . 1 . 2]" 1
383 1 16 LEU H 1 22 HIS H . . 5.500 4.723 4.436 4.844 . 0 0 "[ . 1 . 2]" 1
384 1 16 LEU HA 1 17 LYS H . . 2.400 2.149 2.138 2.179 . 0 0 "[ . 1 . 2]" 1
385 1 16 LEU QB 1 17 LYS H . . 3.910 3.220 3.023 3.347 . 0 0 "[ . 1 . 2]" 1
386 1 16 LEU QB 1 17 LYS HA . . 5.490 4.586 4.439 4.640 . 0 0 "[ . 1 . 2]" 1
387 1 16 LEU QB 1 19 GLY H . . 5.500 5.083 4.878 5.141 . 0 0 "[ . 1 . 2]" 1
388 1 16 LEU QB 1 19 GLY HA2 . . 5.220 4.537 4.382 4.735 . 0 0 "[ . 1 . 2]" 1
389 1 16 LEU QB 1 20 LYS H . . 3.150 3.212 3.173 3.268 0.118 14 0 "[ . 1 . 2]" 1
390 1 16 LEU QB 1 20 LYS HA . . 4.840 4.179 3.997 4.300 . 0 0 "[ . 1 . 2]" 1
391 1 16 LEU QB 1 21 ASN H . . 3.870 3.930 3.511 4.053 0.183 14 0 "[ . 1 . 2]" 1
392 1 16 LEU QB 1 21 ASN HD21 . . 5.500 3.330 2.635 5.447 . 0 0 "[ . 1 . 2]" 1
393 1 16 LEU QB 1 22 HIS HD2 . . 4.290 4.098 3.726 4.285 . 0 0 "[ . 1 . 2]" 1
394 1 16 LEU QD 1 17 LYS H . . 4.140 3.802 3.324 4.138 . 0 0 "[ . 1 . 2]" 1
395 1 16 LEU QD 1 19 GLY H . . 4.640 4.442 4.038 4.717 0.077 18 0 "[ . 1 . 2]" 1
396 1 16 LEU QD 1 19 GLY HA2 . . 4.370 3.506 3.253 3.636 . 0 0 "[ . 1 . 2]" 1
397 1 16 LEU QD 1 19 GLY HA3 . . 4.900 4.850 4.564 4.997 0.097 18 0 "[ . 1 . 2]" 1
398 1 16 LEU QD 1 20 LYS H . . 4.260 3.448 3.043 3.753 . 0 0 "[ . 1 . 2]" 1
399 1 16 LEU QD 1 20 LYS HA . . 4.820 4.721 4.437 4.890 0.070 14 0 "[ . 1 . 2]" 1
400 1 16 LEU QD 1 21 ASN H . . 5.300 4.832 4.374 4.979 . 0 0 "[ . 1 . 2]" 1
401 1 16 LEU QD 1 21 ASN HD21 . . 5.360 3.140 2.223 4.932 . 0 0 "[ . 1 . 2]" 1
402 1 16 LEU QD 1 21 ASN HD22 . . 4.670 4.010 3.209 4.677 0.007 19 0 "[ . 1 . 2]" 1
403 1 16 LEU QD 1 22 HIS H . . 5.280 5.020 4.313 5.225 . 0 0 "[ . 1 . 2]" 1
404 1 16 LEU QD 1 22 HIS HD2 . . 5.500 5.121 4.852 5.326 . 0 0 "[ . 1 . 2]" 1
405 1 16 LEU HG 1 17 LYS H . . 5.210 4.668 4.536 4.751 . 0 0 "[ . 1 . 2]" 1
406 1 16 LEU HG 1 21 ASN HA . . 5.270 4.892 4.494 5.002 . 0 0 "[ . 1 . 2]" 1
407 1 17 LYS H 1 20 LYS H . . 3.560 3.619 3.590 3.658 0.098 19 0 "[ . 1 . 2]" 1
408 1 17 LYS H 1 22 HIS H . . 4.730 4.693 4.380 4.772 0.042 11 0 "[ . 1 . 2]" 1
409 1 17 LYS H 1 22 HIS HD2 . . 3.520 2.575 2.380 2.824 . 0 0 "[ . 1 . 2]" 1
410 1 17 LYS HA 1 20 LYS H . . 5.500 5.119 5.070 5.224 . 0 0 "[ . 1 . 2]" 1
411 1 17 LYS HA 1 22 HIS HD2 . . 5.500 5.373 5.170 5.600 0.100 18 0 "[ . 1 . 2]" 1
412 1 18 GLY QA 1 20 LYS H . . 5.500 3.824 3.723 3.882 . 0 0 "[ . 1 . 2]" 1
413 1 18 GLY HA2 1 19 GLY HA2 . . 5.170 4.566 4.553 4.580 . 0 0 "[ . 1 . 2]" 1
414 1 18 GLY HA2 1 19 GLY HA3 . . 5.410 4.880 4.851 4.904 . 0 0 "[ . 1 . 2]" 1
415 1 19 GLY H 1 20 LYS H . . 3.640 2.329 2.192 2.387 . 0 0 "[ . 1 . 2]" 1
416 1 19 GLY HA3 1 20 LYS QB . . 5.380 4.441 4.276 4.721 . 0 0 "[ . 1 . 2]" 1
417 1 20 LYS H 1 20 LYS QB . . 3.850 2.838 2.678 3.276 . 0 0 "[ . 1 . 2]" 1
418 1 20 LYS H 1 20 LYS QE . . 4.300 3.927 2.508 4.303 0.003 13 0 "[ . 1 . 2]" 1
419 1 20 LYS H 1 20 LYS QG . . 4.510 3.601 2.069 4.371 . 0 0 "[ . 1 . 2]" 1
420 1 20 LYS H 1 22 HIS HD2 . . 5.070 4.894 4.701 5.185 0.115 18 0 "[ . 1 . 2]" 1
421 1 20 LYS HA 1 20 LYS QE . . 3.780 3.251 1.954 3.942 0.162 9 0 "[ . 1 . 2]" 1
422 1 20 LYS HA 1 21 ASN H . . 2.900 2.230 2.179 2.297 . 0 0 "[ . 1 . 2]" 1
423 1 20 LYS HA 1 21 ASN QB . . 4.420 4.082 3.954 4.176 . 0 0 "[ . 1 . 2]" 1
424 1 20 LYS HA 1 22 HIS HD2 . . 5.500 5.409 5.191 5.515 0.015 12 0 "[ . 1 . 2]" 1
425 1 20 LYS QB 1 21 ASN H . . 4.200 3.112 2.681 3.462 . 0 0 "[ . 1 . 2]" 1
426 1 20 LYS QB 1 22 HIS HD2 . . 5.500 3.899 3.575 4.461 . 0 0 "[ . 1 . 2]" 1
427 1 20 LYS QG 1 21 ASN H . . 5.170 3.356 2.540 4.257 . 0 0 "[ . 1 . 2]" 1
428 1 21 ASN H 1 21 ASN QB . . 3.270 2.260 2.163 2.371 . 0 0 "[ . 1 . 2]" 1
429 1 21 ASN H 1 22 HIS H . . 4.750 4.557 4.502 4.586 . 0 0 "[ . 1 . 2]" 1
430 1 21 ASN HA 1 21 ASN HD22 . . 5.500 3.630 1.853 4.355 . 0 0 "[ . 1 . 2]" 1
431 1 21 ASN HA 1 22 HIS H . . 2.800 2.276 2.172 2.318 . 0 0 "[ . 1 . 2]" 1
432 1 21 ASN HA 1 22 HIS HA . . 4.920 4.425 4.393 4.459 . 0 0 "[ . 1 . 2]" 1
433 1 21 ASN HA 1 22 HIS HD2 . . 4.390 2.878 2.719 3.249 . 0 0 "[ . 1 . 2]" 1
434 1 21 ASN QB 1 21 ASN HD22 . . 3.530 2.179 2.088 2.655 . 0 0 "[ . 1 . 2]" 1
435 1 21 ASN QB 1 22 HIS H . . 4.200 2.985 2.703 3.669 . 0 0 "[ . 1 . 2]" 1
436 1 21 ASN QB 1 23 VAL QG . . 4.810 4.349 3.980 4.885 0.075 14 0 "[ . 1 . 2]" 1
437 1 22 HIS H 1 22 HIS HB2 . . 3.560 2.695 2.581 2.799 . 0 0 "[ . 1 . 2]" 1
438 1 22 HIS H 1 22 HIS HB3 . . 4.030 3.806 3.745 3.870 . 0 0 "[ . 1 . 2]" 1
439 1 22 HIS H 1 22 HIS HD2 . . 3.920 2.846 2.550 3.143 . 0 0 "[ . 1 . 2]" 1
440 1 22 HIS H 1 23 VAL H . . 5.110 4.428 4.286 4.496 . 0 0 "[ . 1 . 2]" 1
441 1 22 HIS H 1 23 VAL QG . . 5.500 4.525 4.239 5.136 . 0 0 "[ . 1 . 2]" 1
442 1 22 HIS HA 1 22 HIS HD2 . . 4.640 3.871 3.753 4.015 . 0 0 "[ . 1 . 2]" 1
443 1 22 HIS HA 1 23 VAL H . . 2.780 2.368 2.155 2.461 . 0 0 "[ . 1 . 2]" 1
444 1 22 HIS HA 1 23 VAL QG . . 4.510 3.330 3.141 3.529 . 0 0 "[ . 1 . 2]" 1
445 1 22 HIS HB2 1 22 HIS HD2 . . 3.930 2.996 2.921 3.038 . 0 0 "[ . 1 . 2]" 1
446 1 22 HIS HB2 1 23 VAL H . . 4.420 3.680 3.430 4.224 . 0 0 "[ . 1 . 2]" 1
447 1 22 HIS HB2 1 24 VAL QG . . 5.340 3.804 3.478 4.025 . 0 0 "[ . 1 . 2]" 1
448 1 22 HIS HB3 1 23 VAL H . . 3.670 2.592 2.308 3.277 . 0 0 "[ . 1 . 2]" 1
449 1 22 HIS HB3 1 23 VAL HA . . 5.500 4.579 4.414 4.800 . 0 0 "[ . 1 . 2]" 1
450 1 22 HIS HB3 1 23 VAL QG . . 4.800 4.403 4.218 4.681 . 0 0 "[ . 1 . 2]" 1
451 1 22 HIS HB3 1 24 VAL QG . . 5.500 3.616 3.460 3.849 . 0 0 "[ . 1 . 2]" 1
452 1 23 VAL H 1 23 VAL HB . . 3.150 2.808 2.592 3.130 . 0 0 "[ . 1 . 2]" 1
453 1 23 VAL H 1 23 VAL QG . . 3.560 2.542 1.959 2.839 . 0 0 "[ . 1 . 2]" 1
454 1 23 VAL H 1 24 VAL H . . 4.840 4.389 4.289 4.490 . 0 0 "[ . 1 . 2]" 1
455 1 23 VAL H 1 24 VAL HA . . 5.500 5.048 4.940 5.212 . 0 0 "[ . 1 . 2]" 1
456 1 23 VAL H 1 24 VAL QG . . 5.500 3.705 3.523 3.989 . 0 0 "[ . 1 . 2]" 1
457 1 23 VAL HA 1 24 VAL H . . 2.790 2.172 2.152 2.192 . 0 0 "[ . 1 . 2]" 1
458 1 23 VAL HA 1 24 VAL QG . . 5.500 3.159 3.067 3.234 . 0 0 "[ . 1 . 2]" 1
459 1 23 VAL HB 1 24 VAL H . . 4.870 4.071 3.907 4.196 . 0 0 "[ . 1 . 2]" 1
460 1 23 VAL HB 1 24 VAL QG . . 5.500 4.547 4.420 4.857 . 0 0 "[ . 1 . 2]" 1
461 1 23 VAL QG 1 24 VAL H . . 3.670 2.311 2.175 2.516 . 0 0 "[ . 1 . 2]" 1
462 1 23 VAL QG 1 24 VAL HA . . 4.430 3.351 3.104 3.579 . 0 0 "[ . 1 . 2]" 1
463 1 23 VAL QG 1 24 VAL HB . . 5.500 4.960 4.782 5.064 . 0 0 "[ . 1 . 2]" 1
464 1 23 VAL QG 1 24 VAL QG . . 4.150 3.450 3.307 3.561 . 0 0 "[ . 1 . 2]" 1
465 1 23 VAL QG 1 25 ASN H . . 5.000 4.517 4.309 4.677 . 0 0 "[ . 1 . 2]" 1
466 1 23 VAL QG 1 25 ASN HA . . 4.560 4.604 4.472 4.663 0.103 13 0 "[ . 1 . 2]" 1
467 1 23 VAL QG 1 25 ASN HB2 . . 4.950 4.869 4.774 4.964 0.014 17 0 "[ . 1 . 2]" 1
468 1 24 VAL H 1 24 VAL QG . . 3.820 2.243 2.192 2.345 . 0 0 "[ . 1 . 2]" 1
469 1 24 VAL HA 1 25 ASN H . . 2.610 2.283 2.247 2.324 . 0 0 "[ . 1 . 2]" 1
470 1 24 VAL HB 1 25 ASN H . . 3.350 2.811 2.639 3.374 0.024 8 0 "[ . 1 . 2]" 1
471 1 24 VAL HB 1 43 TYR HB2 . . 5.180 5.207 4.607 5.329 0.149 11 0 "[ . 1 . 2]" 1
472 1 24 VAL HB 1 43 TYR QD . . 5.500 4.043 3.751 4.503 . 0 0 "[ . 1 . 2]" 1
473 1 24 VAL HB 1 50 VAL MG1 . . 4.400 2.339 1.981 2.580 . 0 0 "[ . 1 . 2]" 1
474 1 24 VAL HB 1 50 VAL MG2 . . 5.500 2.066 1.904 3.057 . 0 0 "[ . 1 . 2]" 1
475 1 24 VAL QG 1 25 ASN H . . 3.920 3.079 2.186 3.241 . 0 0 "[ . 1 . 2]" 1
476 1 24 VAL QG 1 26 CYS H . . 5.500 5.256 5.140 5.301 . 0 0 "[ . 1 . 2]" 1
477 1 24 VAL QG 1 26 CYS HA . . 5.500 5.073 4.830 5.178 . 0 0 "[ . 1 . 2]" 1
478 1 24 VAL QG 1 43 TYR HA . . 5.500 4.840 4.689 5.049 . 0 0 "[ . 1 . 2]" 1
479 1 24 VAL QG 1 43 TYR HB2 . . 4.750 3.224 3.150 3.554 . 0 0 "[ . 1 . 2]" 1
480 1 24 VAL QG 1 43 TYR HB3 . . 5.100 4.021 3.918 4.165 . 0 0 "[ . 1 . 2]" 1
481 1 24 VAL QG 1 43 TYR QD . . 4.660 2.834 2.647 3.219 . 0 0 "[ . 1 . 2]" 1
482 1 24 VAL QG 1 50 VAL HB . . 5.110 3.998 3.563 4.123 . 0 0 "[ . 1 . 2]" 1
483 1 24 VAL QG 1 50 VAL MG1 . . 4.180 1.927 1.820 2.156 . 0 0 "[ . 1 . 2]" 1
484 1 24 VAL QG 1 50 VAL MG2 . . 4.580 2.387 1.675 2.526 . 0 0 "[ . 1 . 2]" 1
485 1 25 ASN H 1 25 ASN HB2 . . 3.070 2.446 2.349 2.508 . 0 0 "[ . 1 . 2]" 1
486 1 25 ASN H 1 25 ASN HB3 . . 3.410 2.883 2.815 2.941 . 0 0 "[ . 1 . 2]" 1
487 1 25 ASN H 1 25 ASN QD . . 5.050 4.529 4.502 4.563 . 0 0 "[ . 1 . 2]" 1
488 1 25 ASN H 1 26 CYS HA . . 5.500 5.181 5.106 5.243 . 0 0 "[ . 1 . 2]" 1
489 1 25 ASN HA 1 25 ASN QD . . 4.350 2.936 2.743 3.198 . 0 0 "[ . 1 . 2]" 1
490 1 25 ASN HA 1 26 CYS H . . 2.770 2.242 2.198 2.269 . 0 0 "[ . 1 . 2]" 1
491 1 25 ASN HA 1 26 CYS HB2 . . 4.550 4.148 4.122 4.195 . 0 0 "[ . 1 . 2]" 1
492 1 25 ASN HB2 1 26 CYS H . . 4.650 4.226 4.158 4.317 . 0 0 "[ . 1 . 2]" 1
493 1 25 ASN HB3 1 26 CYS H . . 4.240 3.580 3.488 3.697 . 0 0 "[ . 1 . 2]" 1
494 1 25 ASN HB3 1 27 GLY H . . 5.110 5.155 5.136 5.179 0.069 9 0 "[ . 1 . 2]" 1
495 1 25 ASN HB3 1 50 VAL MG2 . . 4.550 4.648 4.599 4.758 0.208 10 0 "[ . 1 . 2]" 1
496 1 25 ASN QD 1 26 CYS H . . 5.500 2.085 1.836 2.353 . 0 0 "[ . 1 . 2]" 1
497 1 25 ASN QD 1 26 CYS HB2 . . 5.440 3.846 3.578 4.074 . 0 0 "[ . 1 . 2]" 1
498 1 26 CYS H 1 26 CYS HB2 . . 3.750 2.245 2.223 2.277 . 0 0 "[ . 1 . 2]" 1
499 1 26 CYS H 1 26 CYS HB3 . . 3.580 3.382 3.348 3.434 . 0 0 "[ . 1 . 2]" 1
500 1 26 CYS H 1 50 VAL MG2 . . 5.430 5.116 4.968 5.201 . 0 0 "[ . 1 . 2]" 1
501 1 26 CYS HA 1 27 GLY H . . 3.110 2.145 2.143 2.146 . 0 0 "[ . 1 . 2]" 1
502 1 26 CYS HA 1 50 VAL HB . . 3.640 2.624 2.462 2.848 . 0 0 "[ . 1 . 2]" 1
503 1 26 CYS HA 1 50 VAL MG1 . . 4.100 3.277 2.961 3.931 . 0 0 "[ . 1 . 2]" 1
504 1 26 CYS HA 1 50 VAL MG2 . . 3.790 3.762 3.626 3.830 0.040 17 0 "[ . 1 . 2]" 1
505 1 26 CYS HA 1 51 ASP H . . 5.500 5.324 5.203 5.478 . 0 0 "[ . 1 . 2]" 1
506 1 26 CYS HA 1 51 ASP HA . . 4.720 4.800 4.631 4.851 0.131 4 0 "[ . 1 . 2]" 1
507 1 26 CYS HA 1 52 CYS H . . 5.500 5.477 5.375 5.533 0.033 3 0 "[ . 1 . 2]" 1
508 1 26 CYS HB2 1 27 GLY H . . 4.580 4.503 4.482 4.521 . 0 0 "[ . 1 . 2]" 1
509 1 26 CYS HB2 1 50 VAL HB . . 5.500 5.013 4.871 5.104 . 0 0 "[ . 1 . 2]" 1
510 1 26 CYS HB2 1 52 CYS HB2 . . 4.110 4.147 4.095 4.227 0.117 19 0 "[ . 1 . 2]" 1
511 1 26 CYS HB2 1 52 CYS HB3 . . 4.630 4.793 4.733 4.885 0.255 16 0 "[ . 1 . 2]" 1
512 1 26 CYS HB3 1 27 GLY H . . 4.040 3.596 3.540 3.645 . 0 0 "[ . 1 . 2]" 1
513 1 26 CYS HB3 1 33 LYS HA . . 4.260 4.318 4.203 4.366 0.106 20 0 "[ . 1 . 2]" 1
514 1 26 CYS HB3 1 50 VAL MG1 . . 5.500 4.828 4.514 5.421 . 0 0 "[ . 1 . 2]" 1
515 1 26 CYS HB3 1 52 CYS HB2 . . 5.470 3.079 3.014 3.240 . 0 0 "[ . 1 . 2]" 1
516 1 27 GLY H 1 28 SER H . . 4.310 3.786 3.584 4.030 . 0 0 "[ . 1 . 2]" 1
517 1 27 GLY H 1 50 VAL HB . . 4.460 3.688 3.446 4.064 . 0 0 "[ . 1 . 2]" 1
518 1 27 GLY H 1 50 VAL MG2 . . 5.500 4.421 4.217 4.502 . 0 0 "[ . 1 . 2]" 1
519 1 27 GLY HA2 1 28 SER H . . 2.990 2.468 2.321 2.603 . 0 0 "[ . 1 . 2]" 1
520 1 28 SER H 1 28 SER HB2 . . 3.560 3.470 2.572 3.612 0.052 9 0 "[ . 1 . 2]" 1
521 1 28 SER H 1 28 SER HB3 . . 3.550 2.764 2.256 3.656 0.106 11 0 "[ . 1 . 2]" 1
522 1 28 SER H 1 33 LYS HA . . 5.170 4.607 4.510 4.892 . 0 0 "[ . 1 . 2]" 1
523 1 28 SER HA 1 29 ALA H . . 3.400 2.143 2.140 2.150 . 0 0 "[ . 1 . 2]" 1
524 1 28 SER HA 1 33 LYS H . . 5.500 4.012 3.923 4.132 . 0 0 "[ . 1 . 2]" 1
525 1 28 SER HA 1 33 LYS HB3 . . 5.230 4.411 4.345 4.707 . 0 0 "[ . 1 . 2]" 1
526 1 28 SER HB2 1 29 ALA H . . 4.510 3.490 3.367 4.161 . 0 0 "[ . 1 . 2]" 1
527 1 28 SER HB2 1 29 ALA HA . . 4.970 4.830 4.735 5.830 0.860 20 1 "[ . 1 . +]" 1
528 1 28 SER HB3 1 29 ALA H . . 4.680 4.151 3.345 4.358 . 0 0 "[ . 1 . 2]" 1
529 1 28 SER HB3 1 33 LYS H . . 5.400 3.524 2.513 4.204 . 0 0 "[ . 1 . 2]" 1
530 1 28 SER HB3 1 33 LYS HA . . 5.170 2.072 1.932 3.088 . 0 0 "[ . 1 . 2]" 1
531 1 29 ALA H 1 29 ALA MB . . 2.960 2.311 2.215 2.381 . 0 0 "[ . 1 . 2]" 1
532 1 29 ALA H 1 30 ALA H . . 5.030 2.621 2.565 2.639 . 0 0 "[ . 1 . 2]" 1
533 1 29 ALA H 1 31 ASN H . . 5.060 4.364 4.293 4.404 . 0 0 "[ . 1 . 2]" 1
534 1 29 ALA H 1 31 ASN HD22 . . 5.500 5.502 5.416 5.517 0.017 18 0 "[ . 1 . 2]" 1
535 1 29 ALA H 1 32 LYS H . . 5.250 3.076 3.052 3.095 . 0 0 "[ . 1 . 2]" 1
536 1 29 ALA H 1 32 LYS HA . . 4.840 4.688 4.668 4.747 . 0 0 "[ . 1 . 2]" 1
537 1 29 ALA H 1 32 LYS HB2 . . 3.800 1.764 1.729 1.876 . 0 0 "[ . 1 . 2]" 1
538 1 29 ALA H 1 32 LYS HB3 . . 4.550 3.269 2.982 3.347 . 0 0 "[ . 1 . 2]" 1
539 1 29 ALA H 1 32 LYS QG . . 5.280 3.070 2.883 3.504 . 0 0 "[ . 1 . 2]" 1
540 1 29 ALA H 1 33 LYS H . . 5.150 4.346 4.307 4.540 . 0 0 "[ . 1 . 2]" 1
541 1 29 ALA H 1 33 LYS HB3 . . 5.500 5.124 5.068 5.535 0.035 20 0 "[ . 1 . 2]" 1
542 1 29 ALA H 1 33 LYS QG . . 5.270 5.085 4.609 5.272 0.002 11 0 "[ . 1 . 2]" 1
543 1 29 ALA HA 1 30 ALA H . . 3.560 3.565 3.563 3.569 0.009 20 0 "[ . 1 . 2]" 1
544 1 29 ALA HA 1 30 ALA HA . . 5.500 4.554 4.553 4.558 . 0 0 "[ . 1 . 2]" 1
545 1 29 ALA HA 1 32 LYS HB2 . . 5.440 4.678 4.644 4.799 . 0 0 "[ . 1 . 2]" 1
546 1 29 ALA MB 1 30 ALA H . . 3.120 2.040 1.937 2.196 . 0 0 "[ . 1 . 2]" 1
547 1 29 ALA MB 1 31 ASN H . . 4.610 4.203 4.146 4.292 . 0 0 "[ . 1 . 2]" 1
548 1 29 ALA MB 1 32 LYS H . . 4.680 4.018 3.972 4.118 . 0 0 "[ . 1 . 2]" 1
549 1 29 ALA MB 1 32 LYS HB3 . . 5.100 4.717 4.509 4.783 . 0 0 "[ . 1 . 2]" 1
550 1 30 ALA H 1 31 ASN H . . 4.030 2.589 2.559 2.608 . 0 0 "[ . 1 . 2]" 1
551 1 30 ALA H 1 31 ASN HA . . 5.500 4.870 4.846 4.883 . 0 0 "[ . 1 . 2]" 1
552 1 30 ALA H 1 32 LYS H . . 5.250 2.795 2.782 2.805 . 0 0 "[ . 1 . 2]" 1
553 1 30 ALA HA 1 32 LYS H . . 4.500 4.547 4.529 4.575 0.075 16 0 "[ . 1 . 2]" 1
554 1 30 ALA HA 1 33 LYS H . . 5.500 5.606 5.568 5.817 0.317 20 0 "[ . 1 . 2]" 1
555 1 30 ALA MB 1 31 ASN H . . 3.330 2.083 2.076 2.089 . 0 0 "[ . 1 . 2]" 1
556 1 30 ALA MB 1 31 ASN HB2 . . 4.570 4.620 4.585 4.629 0.059 4 0 "[ . 1 . 2]" 1
557 1 30 ALA MB 1 31 ASN HB3 . . 5.320 3.717 3.700 3.769 . 0 0 "[ . 1 . 2]" 1
558 1 30 ALA MB 1 31 ASN HD21 . . 5.500 3.743 3.415 3.818 . 0 0 "[ . 1 . 2]" 1
559 1 30 ALA MB 1 31 ASN HD22 . . 5.500 4.072 3.732 4.143 . 0 0 "[ . 1 . 2]" 1
560 1 30 ALA MB 1 32 LYS H . . 3.860 3.694 3.688 3.701 . 0 0 "[ . 1 . 2]" 1
561 1 30 ALA MB 1 33 LYS H . . 5.310 5.347 5.330 5.441 0.131 20 0 "[ . 1 . 2]" 1
562 1 31 ASN H 1 31 ASN HB2 . . 4.030 3.602 3.592 3.613 . 0 0 "[ . 1 . 2]" 1
563 1 31 ASN H 1 31 ASN HB3 . . 3.680 3.329 3.308 3.402 . 0 0 "[ . 1 . 2]" 1
564 1 31 ASN H 1 31 ASN HD21 . . 5.340 3.006 2.849 3.042 . 0 0 "[ . 1 . 2]" 1
565 1 31 ASN H 1 31 ASN HD22 . . 4.900 2.609 2.290 2.673 . 0 0 "[ . 1 . 2]" 1
566 1 31 ASN H 1 32 LYS H . . 3.190 2.054 2.016 2.078 . 0 0 "[ . 1 . 2]" 1
567 1 31 ASN H 1 32 LYS HA . . 5.430 4.471 4.397 4.490 . 0 0 "[ . 1 . 2]" 1
568 1 31 ASN H 1 32 LYS HB2 . . 5.460 4.120 3.811 4.218 . 0 0 "[ . 1 . 2]" 1
569 1 31 ASN H 1 32 LYS QG . . 4.880 3.725 3.447 5.017 0.137 20 0 "[ . 1 . 2]" 1
570 1 31 ASN H 1 33 LYS H . . 4.420 4.152 4.120 4.215 . 0 0 "[ . 1 . 2]" 1
571 1 31 ASN HA 1 32 LYS QD . . 5.500 5.530 4.848 5.693 0.193 1 0 "[ . 1 . 2]" 1
572 1 31 ASN HA 1 33 LYS QE . . 3.850 3.094 1.970 3.696 . 0 0 "[ . 1 . 2]" 1
573 1 31 ASN HA 1 53 GLN QE . . 4.920 4.819 4.683 4.961 0.041 1 0 "[ . 1 . 2]" 1
574 1 31 ASN HB2 1 31 ASN HD22 . . 3.550 2.589 2.575 2.675 . 0 0 "[ . 1 . 2]" 1
575 1 31 ASN HB2 1 32 LYS H . . 5.500 4.076 4.065 4.125 . 0 0 "[ . 1 . 2]" 1
576 1 31 ASN HB2 1 32 LYS HA . . 5.070 4.477 4.467 4.502 . 0 0 "[ . 1 . 2]" 1
577 1 31 ASN HB3 1 31 ASN HD22 . . 3.810 3.552 3.546 3.553 . 0 0 "[ . 1 . 2]" 1
578 1 31 ASN HB3 1 32 LYS H . . 5.500 4.506 4.495 4.562 . 0 0 "[ . 1 . 2]" 1
579 1 31 ASN HD21 1 32 LYS H . . 5.500 3.851 3.825 3.993 . 0 0 "[ . 1 . 2]" 1
580 1 31 ASN HD21 1 32 LYS QD . . 5.500 3.378 2.703 3.664 . 0 0 "[ . 1 . 2]" 1
581 1 31 ASN HD21 1 32 LYS QG . . 5.500 3.709 3.446 5.157 . 0 0 "[ . 1 . 2]" 1
582 1 31 ASN HD22 1 32 LYS QD . . 5.500 2.640 2.044 2.818 . 0 0 "[ . 1 . 2]" 1
583 1 31 ASN HD22 1 54 THR HA . . 5.150 3.673 3.496 3.887 . 0 0 "[ . 1 . 2]" 1
584 1 31 ASN HD22 1 54 THR HB . . 5.500 3.491 3.145 3.766 . 0 0 "[ . 1 . 2]" 1
585 1 31 ASN HD22 1 54 THR MG . . 5.500 4.914 4.640 5.160 . 0 0 "[ . 1 . 2]" 1
586 1 31 ASN HD22 1 55 PRO HD2 . . 4.680 2.431 2.278 2.752 . 0 0 "[ . 1 . 2]" 1
587 1 31 ASN HD22 1 55 PRO HD3 . . 5.500 3.184 2.797 3.447 . 0 0 "[ . 1 . 2]" 1
588 1 32 LYS H 1 32 LYS HB2 . . 3.320 2.295 2.090 2.357 . 0 0 "[ . 1 . 2]" 1
589 1 32 LYS H 1 32 LYS HB3 . . 3.910 3.537 3.382 3.569 . 0 0 "[ . 1 . 2]" 1
590 1 32 LYS H 1 32 LYS QD . . 4.850 3.318 2.385 3.519 . 0 0 "[ . 1 . 2]" 1
591 1 32 LYS H 1 32 LYS QG . . 3.720 2.692 2.458 3.724 0.004 20 0 "[ . 1 . 2]" 1
592 1 32 LYS H 1 33 LYS H . . 2.790 2.682 2.675 2.690 . 0 0 "[ . 1 . 2]" 1
593 1 32 LYS H 1 54 THR HA . . 5.420 5.165 4.996 5.440 0.020 19 0 "[ . 1 . 2]" 1
594 1 32 LYS HA 1 32 LYS QD . . 3.810 2.013 1.932 2.184 . 0 0 "[ . 1 . 2]" 1
595 1 32 LYS HA 1 52 CYS H . . 5.500 4.667 4.428 4.850 . 0 0 "[ . 1 . 2]" 1
596 1 32 LYS HA 1 52 CYS HB3 . . 5.470 5.139 4.955 5.298 . 0 0 "[ . 1 . 2]" 1
597 1 32 LYS HB2 1 33 LYS H . . 3.940 3.527 3.456 3.671 . 0 0 "[ . 1 . 2]" 1
598 1 32 LYS HB3 1 33 LYS H . . 4.570 4.081 3.829 4.146 . 0 0 "[ . 1 . 2]" 1
599 1 32 LYS HB3 1 52 CYS H . . 4.930 4.211 4.082 4.307 . 0 0 "[ . 1 . 2]" 1
600 1 32 LYS QD 1 51 ASP QB . . 5.010 4.632 4.325 5.039 0.029 13 0 "[ . 1 . 2]" 1
601 1 32 LYS QD 1 52 CYS H . . 5.500 3.966 3.607 4.817 . 0 0 "[ . 1 . 2]" 1
602 1 32 LYS QD 1 54 THR MG . . 4.890 2.838 2.651 3.138 . 0 0 "[ . 1 . 2]" 1
603 1 33 LYS H 1 33 LYS HB2 . . 3.950 3.595 3.535 3.614 . 0 0 "[ . 1 . 2]" 1
604 1 33 LYS H 1 33 LYS HB3 . . 3.390 2.850 2.768 3.038 . 0 0 "[ . 1 . 2]" 1
605 1 33 LYS H 1 52 CYS HB2 . . 5.410 5.366 5.252 5.447 0.037 7 0 "[ . 1 . 2]" 1
606 1 33 LYS HA 1 34 CYS H . . 2.810 2.535 2.514 2.548 . 0 0 "[ . 1 . 2]" 1
607 1 33 LYS HA 1 52 CYS HB2 . . 4.870 3.801 3.717 3.857 . 0 0 "[ . 1 . 2]" 1
608 1 33 LYS HB2 1 33 LYS HD2 . . 4.010 2.293 2.004 3.403 . 0 0 "[ . 1 . 2]" 1
609 1 33 LYS HB2 1 34 CYS H . . 3.420 2.148 2.118 2.187 . 0 0 "[ . 1 . 2]" 1
610 1 33 LYS HB2 1 34 CYS HA . . 4.970 4.474 4.355 4.547 . 0 0 "[ . 1 . 2]" 1
611 1 33 LYS HB2 1 34 CYS HB2 . . 4.600 4.444 4.398 4.495 . 0 0 "[ . 1 . 2]" 1
612 1 33 LYS HB3 1 34 CYS H . . 4.260 3.526 3.360 3.580 . 0 0 "[ . 1 . 2]" 1
613 1 33 LYS HD2 1 34 CYS H . . 4.950 3.421 3.149 4.414 . 0 0 "[ . 1 . 2]" 1
614 1 33 LYS HD2 1 34 CYS HB2 . . 5.500 5.392 5.159 6.328 0.828 18 1 "[ . 1 . + 2]" 1
615 1 34 CYS H 1 34 CYS HB2 . . 3.340 2.321 2.307 2.334 . 0 0 "[ . 1 . 2]" 1
616 1 34 CYS H 1 34 CYS HB3 . . 3.350 3.447 3.400 3.507 0.157 4 0 "[ . 1 . 2]" 1
617 1 34 CYS HA 1 35 LYS H . . 2.830 2.337 2.318 2.357 . 0 0 "[ . 1 . 2]" 1
618 1 34 CYS HA 1 52 CYS HB2 . . 5.500 5.526 5.323 5.591 0.091 8 0 "[ . 1 . 2]" 1
619 1 34 CYS HA 1 52 CYS HB3 . . 4.120 4.128 4.046 4.191 0.071 11 0 "[ . 1 . 2]" 1
620 1 34 CYS HA 1 53 GLN QB . . 3.500 2.424 1.978 3.692 0.192 16 0 "[ . 1 . 2]" 1
621 1 34 CYS HA 1 53 GLN QE . . 5.500 2.222 1.932 2.606 . 0 0 "[ . 1 . 2]" 1
622 1 34 CYS HB2 1 35 LYS H . . 4.820 4.059 4.035 4.093 . 0 0 "[ . 1 . 2]" 1
623 1 34 CYS HB2 1 53 GLN QE . . 5.500 4.872 4.677 5.129 . 0 0 "[ . 1 . 2]" 1
624 1 34 CYS HB3 1 35 LYS H . . 5.460 2.763 2.720 2.829 . 0 0 "[ . 1 . 2]" 1
625 1 34 CYS HB3 1 36 SER H . . 5.090 2.878 2.774 3.000 . 0 0 "[ . 1 . 2]" 1
626 1 34 CYS HB3 1 52 CYS HB3 . . 5.500 5.100 5.048 5.157 . 0 0 "[ . 1 . 2]" 1
627 1 35 LYS H 1 35 LYS HB2 . . 4.040 2.416 2.380 2.473 . 0 0 "[ . 1 . 2]" 1
628 1 35 LYS H 1 35 LYS HB3 . . 3.550 3.506 3.269 3.656 0.106 7 0 "[ . 1 . 2]" 1
629 1 35 LYS H 1 35 LYS HD2 . . 5.270 5.029 2.795 5.890 0.620 5 1 "[ + 1 . 2]" 1
630 1 35 LYS H 1 35 LYS QG . . 4.400 3.613 3.462 4.061 . 0 0 "[ . 1 . 2]" 1
631 1 35 LYS H 1 36 SER H . . 2.970 1.881 1.862 1.906 . 0 0 "[ . 1 . 2]" 1
632 1 35 LYS H 1 53 GLN QE . . 4.950 2.777 2.420 3.227 . 0 0 "[ . 1 . 2]" 1
633 1 35 LYS H 1 53 GLN HG2 . . 5.500 4.866 2.605 5.481 . 0 0 "[ . 1 . 2]" 1
634 1 35 LYS H 1 53 GLN HG3 . . 5.500 4.148 3.765 4.749 . 0 0 "[ . 1 . 2]" 1
635 1 35 LYS HA 1 35 LYS HD2 . . 5.250 3.608 2.452 4.386 . 0 0 "[ . 1 . 2]" 1
636 1 35 LYS HA 1 35 LYS QG . . 3.970 2.166 2.118 2.388 . 0 0 "[ . 1 . 2]" 1
637 1 35 LYS HA 1 36 SER HA . . 4.870 4.506 4.500 4.514 . 0 0 "[ . 1 . 2]" 1
638 1 35 LYS HB2 1 36 SER H . . 4.060 3.366 3.250 3.536 . 0 0 "[ . 1 . 2]" 1
639 1 35 LYS HB2 1 53 GLN HG3 . . 4.970 4.774 4.364 5.220 0.250 19 0 "[ . 1 . 2]" 1
640 1 35 LYS HB3 1 36 SER H . . 4.760 3.696 3.383 3.911 . 0 0 "[ . 1 . 2]" 1
641 1 35 LYS HB3 1 53 GLN QE . . 4.910 4.538 3.571 4.732 . 0 0 "[ . 1 . 2]" 1
642 1 35 LYS QG 1 36 SER H . . 5.500 4.606 4.525 4.768 . 0 0 "[ . 1 . 2]" 1
643 1 35 LYS QG 1 53 GLN QE . . 4.550 3.222 2.824 3.662 . 0 0 "[ . 1 . 2]" 1
644 1 36 SER H 1 36 SER QB . . 3.790 2.516 2.462 3.138 . 0 0 "[ . 1 . 2]" 1
645 1 36 SER H 1 37 ASP H . . 4.660 4.302 4.275 4.351 . 0 0 "[ . 1 . 2]" 1
646 1 36 SER H 1 39 HIS HB2 . . 4.830 2.932 2.861 3.002 . 0 0 "[ . 1 . 2]" 1
647 1 36 SER H 1 39 HIS HB3 . . 4.710 3.848 3.795 3.930 . 0 0 "[ . 1 . 2]" 1
648 1 36 SER H 1 53 GLN QE . . 5.150 4.439 4.060 4.893 . 0 0 "[ . 1 . 2]" 1
649 1 36 SER HA 1 37 ASP H . . 2.600 2.149 2.142 2.163 . 0 0 "[ . 1 . 2]" 1
650 1 36 SER HA 1 37 ASP QB . . 4.610 4.206 4.073 4.386 . 0 0 "[ . 1 . 2]" 1
651 1 36 SER HA 1 39 HIS HB2 . . 4.350 4.236 4.163 4.328 . 0 0 "[ . 1 . 2]" 1
652 1 36 SER QB 1 37 ASP H . . 4.120 3.371 3.183 3.708 . 0 0 "[ . 1 . 2]" 1
653 1 37 ASP H 1 37 ASP QB . . 2.590 2.330 2.194 2.512 . 0 0 "[ . 1 . 2]" 1
654 1 37 ASP H 1 38 ARG H . . 3.910 2.613 2.581 2.635 . 0 0 "[ . 1 . 2]" 1
655 1 37 ASP H 1 39 HIS H . . 5.330 3.946 3.913 3.971 . 0 0 "[ . 1 . 2]" 1
656 1 37 ASP H 1 39 HIS HB2 . . 5.500 4.860 4.814 4.904 . 0 0 "[ . 1 . 2]" 1
657 1 37 ASP HA 1 38 ARG HA . . 5.030 4.689 4.682 4.693 . 0 0 "[ . 1 . 2]" 1
658 1 37 ASP HA 1 38 ARG QD . . 5.500 5.061 4.800 5.279 . 0 0 "[ . 1 . 2]" 1
659 1 37 ASP HA 1 39 HIS H . . 3.860 3.907 3.866 3.933 0.073 7 0 "[ . 1 . 2]" 1
660 1 37 ASP QB 1 38 ARG H . . 3.930 3.193 2.878 3.581 . 0 0 "[ . 1 . 2]" 1
661 1 37 ASP QB 1 38 ARG HA . . 5.250 4.412 4.384 4.469 . 0 0 "[ . 1 . 2]" 1
662 1 37 ASP QB 1 38 ARG QB . . 5.500 4.929 4.652 5.240 . 0 0 "[ . 1 . 2]" 1
663 1 37 ASP QB 1 38 ARG QG . . 4.430 3.715 3.301 4.239 . 0 0 "[ . 1 . 2]" 1
664 1 37 ASP QB 1 39 HIS H . . 5.230 4.744 4.630 4.883 . 0 0 "[ . 1 . 2]" 1
665 1 38 ARG H 1 38 ARG HA . . 2.900 2.887 2.884 2.891 . 0 0 "[ . 1 . 2]" 1
666 1 38 ARG H 1 38 ARG QB . . 3.450 2.509 2.414 2.585 . 0 0 "[ . 1 . 2]" 1
667 1 38 ARG H 1 38 ARG QG . . 3.940 2.466 2.199 2.968 . 0 0 "[ . 1 . 2]" 1
668 1 38 ARG H 1 39 HIS H . . 3.190 2.378 2.362 2.388 . 0 0 "[ . 1 . 2]" 1
669 1 38 ARG HA 1 38 ARG QD . . 4.820 3.070 2.115 3.926 . 0 0 "[ . 1 . 2]" 1
670 1 38 ARG HA 1 38 ARG QG . . 3.790 2.719 2.342 3.071 . 0 0 "[ . 1 . 2]" 1
671 1 38 ARG HA 1 39 HIS H . . 3.520 3.399 3.386 3.407 . 0 0 "[ . 1 . 2]" 1
672 1 38 ARG QB 1 39 HIS H . . 4.430 3.095 3.076 3.122 . 0 0 "[ . 1 . 2]" 1
673 1 38 ARG QG 1 39 HIS H . . 5.500 4.279 4.126 4.522 . 0 0 "[ . 1 . 2]" 1
674 1 39 HIS H 1 39 HIS HB2 . . 3.020 2.139 2.134 2.144 . 0 0 "[ . 1 . 2]" 1
675 1 39 HIS H 1 39 HIS HB3 . . 3.190 3.031 3.018 3.045 . 0 0 "[ . 1 . 2]" 1
676 1 39 HIS H 1 40 HIS H . . 4.800 4.646 4.638 4.648 . 0 0 "[ . 1 . 2]" 1
677 1 39 HIS HA 1 40 HIS H . . 2.780 2.374 2.333 2.434 . 0 0 "[ . 1 . 2]" 1
678 1 39 HIS HA 1 40 HIS HA . . 5.500 4.380 4.377 4.390 . 0 0 "[ . 1 . 2]" 1
679 1 39 HIS HA 1 40 HIS HB3 . . 5.400 4.405 4.245 5.293 . 0 0 "[ . 1 . 2]" 1
680 1 39 HIS HA 1 40 HIS HD2 . . 4.080 3.892 3.785 3.942 . 0 0 "[ . 1 . 2]" 1
681 1 39 HIS HB2 1 40 HIS H . . 4.650 4.047 3.965 4.103 . 0 0 "[ . 1 . 2]" 1
682 1 39 HIS HB2 1 40 HIS HD2 . . 5.320 5.432 5.379 5.601 0.281 13 0 "[ . 1 . 2]" 1
683 1 39 HIS HB3 1 40 HIS H . . 5.020 3.209 3.083 3.297 . 0 0 "[ . 1 . 2]" 1
684 1 39 HIS HB3 1 40 HIS HA . . 5.500 4.462 4.426 4.477 . 0 0 "[ . 1 . 2]" 1
685 1 39 HIS HB3 1 40 HIS HD2 . . 5.310 4.646 4.559 4.995 . 0 0 "[ . 1 . 2]" 1
686 1 39 HIS HD2 1 40 HIS H . . 5.450 2.054 2.024 2.120 . 0 0 "[ . 1 . 2]" 1
687 1 39 HIS HD2 1 40 HIS HA . . 4.210 4.289 4.247 4.354 0.144 15 0 "[ . 1 . 2]" 1
688 1 39 HIS HD2 1 40 HIS HB3 . . 5.370 4.637 4.500 5.236 . 0 0 "[ . 1 . 2]" 1
689 1 39 HIS HD2 1 41 CYS H . . 5.200 5.148 5.129 5.172 . 0 0 "[ . 1 . 2]" 1
690 1 39 HIS HD2 1 41 CYS HA . . 5.500 4.438 4.391 4.476 . 0 0 "[ . 1 . 2]" 1
691 1 40 HIS H 1 40 HIS HB3 . . 3.090 2.882 2.735 3.633 0.543 13 3 "[ . 1 + * -]" 1
692 1 40 HIS H 1 40 HIS HD2 . . 4.840 1.939 1.886 2.146 . 0 0 "[ . 1 . 2]" 1
693 1 40 HIS H 1 41 CYS H . . 4.870 4.538 4.529 4.543 . 0 0 "[ . 1 . 2]" 1
694 1 40 HIS HA 1 41 CYS H . . 2.860 2.329 2.318 2.339 . 0 0 "[ . 1 . 2]" 1
695 1 40 HIS HA 1 41 CYS HA . . 4.950 4.434 4.424 4.453 . 0 0 "[ . 1 . 2]" 1
696 1 40 HIS HA 1 41 CYS HB2 . . 5.500 5.448 5.391 5.608 0.108 12 0 "[ . 1 . 2]" 1
697 1 40 HIS HA 1 41 CYS HB3 . . 4.160 4.048 3.997 4.282 0.122 12 0 "[ . 1 . 2]" 1
698 1 40 HIS HB3 1 41 CYS H . . 4.770 3.861 3.052 4.018 . 0 0 "[ . 1 . 2]" 1
699 1 40 HIS HD2 1 41 CYS HA . . 5.500 4.962 4.628 5.697 0.197 13 0 "[ . 1 . 2]" 1
700 1 41 CYS HA 1 42 GLU H . . 3.040 2.473 2.442 2.507 . 0 0 "[ . 1 . 2]" 1
701 1 41 CYS HA 1 52 CYS H . . 5.500 5.567 5.515 5.700 0.200 12 0 "[ . 1 . 2]" 1
702 1 41 CYS HA 1 52 CYS HA . . 3.700 2.993 2.881 3.252 . 0 0 "[ . 1 . 2]" 1
703 1 41 CYS HB2 1 42 GLU H . . 3.470 2.609 2.270 2.737 . 0 0 "[ . 1 . 2]" 1
704 1 41 CYS HB2 1 50 VAL MG1 . . 5.430 4.538 4.372 4.658 . 0 0 "[ . 1 . 2]" 1
705 1 41 CYS HB2 1 52 CYS H . . 5.500 4.632 4.442 4.711 . 0 0 "[ . 1 . 2]" 1
706 1 41 CYS HB2 1 52 CYS HA . . 3.690 1.956 1.902 1.988 . 0 0 "[ . 1 . 2]" 1
707 1 41 CYS HB3 1 42 GLU H . . 4.040 3.907 3.725 3.969 . 0 0 "[ . 1 . 2]" 1
708 1 42 GLU H 1 42 GLU QB . . 3.920 2.708 2.574 2.941 . 0 0 "[ . 1 . 2]" 1
709 1 42 GLU H 1 42 GLU QG . . 4.580 2.870 2.435 3.215 . 0 0 "[ . 1 . 2]" 1
710 1 42 GLU H 1 43 TYR H . . 4.690 4.407 4.394 4.463 . 0 0 "[ . 1 . 2]" 1
711 1 42 GLU H 1 50 VAL MG1 . . 5.500 4.713 4.596 4.889 . 0 0 "[ . 1 . 2]" 1
712 1 42 GLU H 1 51 ASP H . . 4.080 3.854 3.731 3.979 . 0 0 "[ . 1 . 2]" 1
713 1 42 GLU H 1 51 ASP QB . . 4.580 3.469 3.186 4.207 . 0 0 "[ . 1 . 2]" 1
714 1 42 GLU H 1 52 CYS H . . 5.500 4.699 4.629 4.847 . 0 0 "[ . 1 . 2]" 1
715 1 42 GLU H 1 52 CYS HA . . 4.760 3.138 2.989 3.402 . 0 0 "[ . 1 . 2]" 1
716 1 42 GLU H 1 54 THR MG . . 5.310 5.537 5.468 5.586 0.276 11 0 "[ . 1 . 2]" 1
717 1 42 GLU HA 1 42 GLU QG . . 3.910 2.507 2.277 2.752 . 0 0 "[ . 1 . 2]" 1
718 1 42 GLU HA 1 43 TYR H . . 2.940 2.223 2.203 2.350 . 0 0 "[ . 1 . 2]" 1
719 1 42 GLU HA 1 51 ASP H . . 4.980 5.060 5.016 5.162 0.182 12 0 "[ . 1 . 2]" 1
720 1 42 GLU QB 1 43 TYR H . . 4.140 2.879 2.610 2.925 . 0 0 "[ . 1 . 2]" 1
721 1 42 GLU QB 1 51 ASP QB . . 5.240 2.752 2.384 3.578 . 0 0 "[ . 1 . 2]" 1
722 1 42 GLU QG 1 51 ASP QB . . 5.470 4.254 4.007 4.582 . 0 0 "[ . 1 . 2]" 1
723 1 42 GLU QG 1 54 THR MG . . 5.430 5.123 4.690 5.388 . 0 0 "[ . 1 . 2]" 1
724 1 43 TYR H 1 43 TYR HB2 . . 3.840 3.364 3.245 3.505 . 0 0 "[ . 1 . 2]" 1
725 1 43 TYR H 1 43 TYR HB3 . . 3.590 2.648 2.592 2.722 . 0 0 "[ . 1 . 2]" 1
726 1 43 TYR H 1 43 TYR HD1 . . 5.360 4.746 4.134 5.376 0.016 14 0 "[ . 1 . 2]" 1
727 1 43 TYR H 1 43 TYR QD . . 5.100 4.117 4.012 4.187 . 0 0 "[ . 1 . 2]" 1
728 1 43 TYR H 1 51 ASP H . . 5.020 4.676 4.644 4.753 . 0 0 "[ . 1 . 2]" 1
729 1 43 TYR H 1 51 ASP QB . . 5.310 4.970 4.761 5.333 0.023 19 0 "[ . 1 . 2]" 1
730 1 43 TYR HA 1 43 TYR QD . . 3.370 2.987 2.894 3.053 . 0 0 "[ . 1 . 2]" 1
731 1 43 TYR HA 1 44 ASP H . . 3.160 2.144 2.138 2.151 . 0 0 "[ . 1 . 2]" 1
732 1 43 TYR HA 1 44 ASP HB2 . . 5.020 4.562 4.146 4.957 . 0 0 "[ . 1 . 2]" 1
733 1 43 TYR HA 1 50 VAL H . . 5.500 5.084 4.994 5.149 . 0 0 "[ . 1 . 2]" 1
734 1 43 TYR HA 1 50 VAL HB . . 5.240 5.244 5.107 5.348 0.108 17 0 "[ . 1 . 2]" 1
735 1 43 TYR HA 1 50 VAL MG1 . . 3.530 3.263 3.056 3.439 . 0 0 "[ . 1 . 2]" 1
736 1 43 TYR HA 1 50 VAL MG2 . . 4.510 4.498 4.392 4.640 0.130 10 0 "[ . 1 . 2]" 1
737 1 43 TYR HA 1 51 ASP H . . 2.930 2.638 2.532 2.830 . 0 0 "[ . 1 . 2]" 1
738 1 43 TYR HA 1 51 ASP QB . . 5.500 3.854 3.678 4.099 . 0 0 "[ . 1 . 2]" 1
739 1 43 TYR HB2 1 50 VAL MG1 . . 4.730 2.391 1.905 2.700 . 0 0 "[ . 1 . 2]" 1
740 1 43 TYR HB2 1 50 VAL MG2 . . 5.500 4.034 3.871 4.247 . 0 0 "[ . 1 . 2]" 1
741 1 43 TYR HB3 1 44 ASP H . . 5.210 4.333 4.266 4.385 . 0 0 "[ . 1 . 2]" 1
742 1 43 TYR HB3 1 50 VAL MG1 . . 5.500 3.872 3.310 4.169 . 0 0 "[ . 1 . 2]" 1
743 1 43 TYR QD 1 50 VAL H . . 5.330 3.819 3.483 3.962 . 0 0 "[ . 1 . 2]" 1
744 1 43 TYR QD 1 50 VAL HA . . 4.910 1.967 1.945 1.996 . 0 0 "[ . 1 . 2]" 1
745 1 43 TYR QD 1 50 VAL HB . . 3.770 3.829 3.786 3.884 0.114 19 0 "[ . 1 . 2]" 1
746 1 43 TYR QD 1 50 VAL MG1 . . 3.780 2.072 1.941 2.177 . 0 0 "[ . 1 . 2]" 1
747 1 43 TYR QD 1 50 VAL MG2 . . 5.030 2.038 1.948 2.175 . 0 0 "[ . 1 . 2]" 1
748 1 43 TYR QD 1 51 ASP H . . 5.290 3.825 3.717 4.023 . 0 0 "[ . 1 . 2]" 1
749 1 44 ASP H 1 44 ASP HB2 . . 3.770 2.470 2.161 2.822 . 0 0 "[ . 1 . 2]" 1
750 1 44 ASP H 1 44 ASP HB3 . . 4.210 3.514 2.823 3.637 . 0 0 "[ . 1 . 2]" 1
751 1 44 ASP H 1 45 GLU H . . 5.500 4.247 4.145 4.333 . 0 0 "[ . 1 . 2]" 1
752 1 44 ASP H 1 46 HIS HD2 . . 5.500 5.199 4.988 5.663 0.163 18 0 "[ . 1 . 2]" 1
753 1 44 ASP H 1 49 ARG H . . 4.350 3.480 3.136 3.702 . 0 0 "[ . 1 . 2]" 1
754 1 44 ASP H 1 49 ARG HA . . 5.340 5.093 4.797 5.322 . 0 0 "[ . 1 . 2]" 1
755 1 44 ASP H 1 49 ARG QG . . 5.500 3.879 2.626 5.237 . 0 0 "[ . 1 . 2]" 1
756 1 44 ASP HA 1 45 GLU H . . 3.060 2.183 2.154 2.223 . 0 0 "[ . 1 . 2]" 1
757 1 44 ASP HA 1 46 HIS H . . 4.200 3.547 3.198 3.760 . 0 0 "[ . 1 . 2]" 1
758 1 44 ASP HB2 1 45 GLU HA . . 5.230 5.301 4.976 6.022 0.792 18 4 "[ .- 1 * .* + 2]" 1
759 1 44 ASP HB2 1 47 HIS HB2 . . 4.410 2.836 2.000 3.732 . 0 0 "[ . 1 . 2]" 1
760 1 44 ASP HB2 1 48 LYS H . . 5.480 4.134 3.592 5.319 . 0 0 "[ . 1 . 2]" 1
761 1 44 ASP HB2 1 48 LYS HA . . 5.500 5.260 4.620 6.321 0.821 18 4 "[ .- 1 * .* + 2]" 1
762 1 44 ASP HB2 1 49 ARG H . . 4.150 2.912 2.291 3.941 . 0 0 "[ . 1 . 2]" 1
763 1 44 ASP HB2 1 49 ARG QB . . 4.310 3.481 2.323 4.572 0.262 18 0 "[ . 1 . 2]" 1
764 1 44 ASP HB2 1 49 ARG HD2 . . 5.450 4.556 2.564 6.026 0.576 1 1 "[+ . 1 . 2]" 1
765 1 44 ASP HB3 1 45 GLU H . . 5.500 3.888 3.733 4.302 . 0 0 "[ . 1 . 2]" 1
766 1 44 ASP HB3 1 47 HIS H . . 5.170 2.503 2.269 2.983 . 0 0 "[ . 1 . 2]" 1
767 1 44 ASP HB3 1 49 ARG H . . 4.790 3.818 2.512 4.617 . 0 0 "[ . 1 . 2]" 1
768 1 44 ASP HB3 1 49 ARG QG . . 4.670 3.717 1.984 4.761 0.091 17 0 "[ . 1 . 2]" 1
769 1 45 GLU H 1 45 GLU QB . . 3.580 2.464 2.106 2.625 . 0 0 "[ . 1 . 2]" 1
770 1 45 GLU H 1 46 HIS H . . 5.090 2.577 2.537 2.621 . 0 0 "[ . 1 . 2]" 1
771 1 45 GLU H 1 46 HIS HD2 . . 5.040 3.382 2.784 3.846 . 0 0 "[ . 1 . 2]" 1
772 1 45 GLU HA 1 46 HIS HA . . 5.400 4.709 4.671 4.781 . 0 0 "[ . 1 . 2]" 1
773 1 45 GLU HA 1 47 HIS H . . 5.340 4.116 3.935 4.399 . 0 0 "[ . 1 . 2]" 1
774 1 45 GLU HA 1 48 LYS H . . 4.240 3.356 3.137 3.482 . 0 0 "[ . 1 . 2]" 1
775 1 45 GLU HA 1 48 LYS HA . . 3.900 3.450 3.104 3.679 . 0 0 "[ . 1 . 2]" 1
776 1 45 GLU HA 1 48 LYS QG . . 5.400 4.819 3.911 5.341 . 0 0 "[ . 1 . 2]" 1
777 1 45 GLU QB 1 46 HIS H . . 5.500 2.766 2.511 3.224 . 0 0 "[ . 1 . 2]" 1
778 1 45 GLU QB 1 46 HIS HA . . 4.500 3.934 3.860 4.003 . 0 0 "[ . 1 . 2]" 1
779 1 45 GLU QB 1 46 HIS HB2 . . 5.500 5.323 5.250 5.393 . 0 0 "[ . 1 . 2]" 1
780 1 45 GLU QB 1 46 HIS HD2 . . 4.490 4.406 3.524 4.758 0.268 16 0 "[ . 1 . 2]" 1
781 1 45 GLU QG 1 46 HIS HD2 . . 5.500 5.331 5.162 5.572 0.072 12 0 "[ . 1 . 2]" 1
782 1 46 HIS H 1 46 HIS HB2 . . 4.110 3.554 2.708 3.629 . 0 0 "[ . 1 . 2]" 1
783 1 46 HIS H 1 47 HIS H . . 5.500 2.414 2.343 2.583 . 0 0 "[ . 1 . 2]" 1
784 1 46 HIS HA 1 47 HIS HA . . 4.610 4.593 4.577 4.605 . 0 0 "[ . 1 . 2]" 1
785 1 46 HIS HA 1 48 LYS H . . 5.400 3.947 3.851 4.049 . 0 0 "[ . 1 . 2]" 1
786 1 46 HIS HA 1 48 LYS QG . . 4.880 4.334 4.021 4.902 0.022 18 0 "[ . 1 . 2]" 1
787 1 46 HIS HB2 1 47 HIS H . . 5.290 3.933 2.661 4.132 . 0 0 "[ . 1 . 2]" 1
788 1 46 HIS HB2 1 47 HIS HA . . 4.770 4.671 4.291 4.809 0.039 10 0 "[ . 1 . 2]" 1
789 1 46 HIS HD2 1 47 HIS H . . 5.500 2.164 1.867 3.788 . 0 0 "[ . 1 . 2]" 1
790 1 46 HIS HD2 1 47 HIS HD2 . . 5.500 5.007 4.576 5.510 0.010 3 0 "[ . 1 . 2]" 1
791 1 46 HIS HD2 1 48 LYS QE . . 5.500 5.517 5.208 5.735 0.235 18 0 "[ . 1 . 2]" 1
792 1 47 HIS H 1 48 LYS H . . 3.830 2.200 2.131 2.267 . 0 0 "[ . 1 . 2]" 1
793 1 47 HIS HA 1 48 LYS HB2 . . 4.550 4.533 4.342 4.715 0.165 18 0 "[ . 1 . 2]" 1
794 1 47 HIS HA 1 48 LYS QE . . 4.540 3.522 2.508 4.542 0.002 2 0 "[ . 1 . 2]" 1
795 1 47 HIS HA 1 48 LYS QG . . 4.260 3.668 3.100 4.272 0.012 5 0 "[ . 1 . 2]" 1
796 1 47 HIS HB2 1 48 LYS H . . 5.500 3.867 3.500 4.015 . 0 0 "[ . 1 . 2]" 1
797 1 47 HIS HB2 1 49 ARG QG . . 4.860 3.367 2.196 4.409 . 0 0 "[ . 1 . 2]" 1
798 1 47 HIS HB3 1 48 LYS H . . 5.340 3.686 3.503 4.156 . 0 0 "[ . 1 . 2]" 1
799 1 47 HIS HB3 1 49 ARG QG . . 5.380 2.098 1.904 2.907 . 0 0 "[ . 1 . 2]" 1
800 1 48 LYS H 1 48 LYS HA . . 2.850 2.279 2.274 2.284 . 0 0 "[ . 1 . 2]" 1
801 1 48 LYS H 1 48 LYS QD . . 5.410 3.216 2.434 4.353 . 0 0 "[ . 1 . 2]" 1
802 1 48 LYS H 1 48 LYS QG . . 3.740 2.632 2.408 2.852 . 0 0 "[ . 1 . 2]" 1
803 1 48 LYS H 1 49 ARG H . . 3.420 2.821 2.694 2.890 . 0 0 "[ . 1 . 2]" 1
804 1 48 LYS H 1 49 ARG QG . . 5.500 4.217 3.555 4.483 . 0 0 "[ . 1 . 2]" 1
805 1 48 LYS HA 1 48 LYS QD . . 4.430 2.974 2.143 4.221 . 0 0 "[ . 1 . 2]" 1
806 1 48 LYS HA 1 48 LYS QG . . 3.630 2.892 2.466 3.214 . 0 0 "[ . 1 . 2]" 1
807 1 48 LYS HA 1 49 ARG QG . . 5.500 4.651 4.156 4.979 . 0 0 "[ . 1 . 2]" 1
808 1 49 ARG H 1 49 ARG QG . . 4.040 2.586 2.058 3.227 . 0 0 "[ . 1 . 2]" 1
809 1 49 ARG H 1 50 VAL H . . 5.500 4.424 4.378 4.484 . 0 0 "[ . 1 . 2]" 1
810 1 49 ARG HA 1 49 ARG HD3 . . 4.870 4.105 3.000 5.350 0.480 16 0 "[ . 1 . 2]" 1
811 1 49 ARG HA 1 50 VAL H . . 2.960 2.281 2.218 2.313 . 0 0 "[ . 1 . 2]" 1
812 1 49 ARG HA 1 50 VAL MG1 . . 5.360 5.210 5.064 5.267 . 0 0 "[ . 1 . 2]" 1
813 1 49 ARG HA 1 50 VAL MG2 . . 5.500 3.115 3.070 3.136 . 0 0 "[ . 1 . 2]" 1
814 1 49 ARG QB 1 50 VAL H . . 4.280 2.731 2.640 2.925 . 0 0 "[ . 1 . 2]" 1
815 1 49 ARG HD3 1 50 VAL H . . 5.500 4.722 3.155 6.209 0.709 8 4 "[* . + 1* .- 2]" 1
816 1 49 ARG QG 1 50 VAL H . . 5.500 4.083 3.405 4.539 . 0 0 "[ . 1 . 2]" 1
817 1 50 VAL H 1 50 VAL HB . . 3.430 2.971 2.909 3.107 . 0 0 "[ . 1 . 2]" 1
818 1 50 VAL H 1 50 VAL MG1 . . 3.930 3.837 3.765 3.863 . 0 0 "[ . 1 . 2]" 1
819 1 50 VAL H 1 50 VAL MG2 . . 3.910 2.009 1.880 2.094 . 0 0 "[ . 1 . 2]" 1
820 1 50 VAL H 1 51 ASP H . . 5.090 4.488 4.459 4.506 . 0 0 "[ . 1 . 2]" 1
821 1 50 VAL HA 1 51 ASP H . . 3.100 2.200 2.173 2.221 . 0 0 "[ . 1 . 2]" 1
822 1 50 VAL HB 1 51 ASP H . . 5.010 3.634 3.452 3.759 . 0 0 "[ . 1 . 2]" 1
823 1 50 VAL MG1 1 51 ASP H . . 3.860 2.341 2.205 2.592 . 0 0 "[ . 1 . 2]" 1
824 1 50 VAL MG1 1 51 ASP HA . . 5.500 4.241 4.125 4.425 . 0 0 "[ . 1 . 2]" 1
825 1 50 VAL MG1 1 52 CYS H . . 5.500 5.228 5.108 5.456 . 0 0 "[ . 1 . 2]" 1
826 1 50 VAL MG2 1 51 ASP H . . 4.220 4.258 4.218 4.310 0.090 19 0 "[ . 1 . 2]" 1
827 1 50 VAL MG2 1 51 ASP HA . . 5.450 5.360 5.237 5.404 . 0 0 "[ . 1 . 2]" 1
828 1 51 ASP H 1 51 ASP QB . . 3.750 2.717 2.582 2.851 . 0 0 "[ . 1 . 2]" 1
829 1 51 ASP H 1 52 CYS H . . 5.080 4.410 4.404 4.420 . 0 0 "[ . 1 . 2]" 1
830 1 51 ASP HA 1 52 CYS H . . 2.960 2.238 2.231 2.245 . 0 0 "[ . 1 . 2]" 1
831 1 51 ASP HA 1 52 CYS HB2 . . 4.640 4.231 4.211 4.288 . 0 0 "[ . 1 . 2]" 1
832 1 51 ASP QB 1 52 CYS H . . 4.840 2.919 2.817 3.211 . 0 0 "[ . 1 . 2]" 1
833 1 51 ASP QB 1 54 THR HB . . 5.500 5.456 5.346 5.617 0.117 19 0 "[ . 1 . 2]" 1
834 1 51 ASP QB 1 54 THR MG . . 5.000 3.439 3.258 3.769 . 0 0 "[ . 1 . 2]" 1
835 1 52 CYS H 1 52 CYS HB2 . . 3.690 2.443 2.406 2.484 . 0 0 "[ . 1 . 2]" 1
836 1 52 CYS H 1 54 THR H . . 5.360 5.354 5.283 5.527 0.167 16 0 "[ . 1 . 2]" 1
837 1 52 CYS H 1 54 THR MG . . 5.500 3.432 3.310 3.633 . 0 0 "[ . 1 . 2]" 1
838 1 52 CYS HA 1 52 CYS HB3 . . 2.670 2.648 2.620 2.663 . 0 0 "[ . 1 . 2]" 1
839 1 52 CYS HA 1 54 THR MG . . 4.620 4.728 4.679 4.798 0.178 19 0 "[ . 1 . 2]" 1
840 1 52 CYS HB2 1 53 GLN H . . 4.300 3.258 3.197 3.305 . 0 0 "[ . 1 . 2]" 1
841 1 52 CYS HB2 1 53 GLN HA . . 5.430 5.359 5.309 5.385 . 0 0 "[ . 1 . 2]" 1
842 1 52 CYS HB3 1 53 GLN H . . 5.460 1.740 1.696 1.774 . 0 0 "[ . 1 . 2]" 1
843 1 53 GLN H 1 53 GLN QB . . 3.790 2.237 2.187 2.367 . 0 0 "[ . 1 . 2]" 1
844 1 53 GLN H 1 53 GLN HG2 . . 4.550 4.242 3.324 4.467 . 0 0 "[ . 1 . 2]" 1
845 1 53 GLN H 1 54 THR MG . . 5.500 4.647 4.592 4.721 . 0 0 "[ . 1 . 2]" 1
846 1 53 GLN HA 1 53 GLN HG2 . . 3.770 2.908 2.524 4.232 0.462 16 0 "[ . 1 . 2]" 1
847 1 53 GLN HA 1 53 GLN HG3 . . 3.580 3.487 2.927 3.678 0.098 7 0 "[ . 1 . 2]" 1
848 1 53 GLN QB 1 54 THR H . . 4.910 3.860 3.491 3.930 . 0 0 "[ . 1 . 2]" 1
849 1 53 GLN HG2 1 54 THR H . . 5.500 3.637 3.192 5.631 0.131 19 0 "[ . 1 . 2]" 1
850 1 53 GLN HG3 1 54 THR H . . 5.070 4.651 3.902 4.923 . 0 0 "[ . 1 . 2]" 1
851 1 54 THR H 1 54 THR HB . . 3.680 3.493 3.453 3.535 . 0 0 "[ . 1 . 2]" 1
852 1 54 THR H 1 54 THR MG . . 3.720 1.907 1.897 1.922 . 0 0 "[ . 1 . 2]" 1
853 1 54 THR H 1 55 PRO HD3 . . 4.880 4.953 4.932 4.965 0.085 19 0 "[ . 1 . 2]" 1
854 1 54 THR H 1 56 VAL HB . . 5.500 5.607 5.593 5.622 0.122 12 0 "[ . 1 . 2]" 1
855 1 54 THR HA 1 54 THR MG . . 3.550 3.134 3.118 3.147 . 0 0 "[ . 1 . 2]" 1
856 1 54 THR HA 1 55 PRO HD2 . . 3.340 2.363 2.348 2.378 . 0 0 "[ . 1 . 2]" 1
857 1 54 THR HA 1 55 PRO HD3 . . 3.170 2.287 2.282 2.292 . 0 0 "[ . 1 . 2]" 1
858 1 54 THR HB 1 55 PRO HD2 . . 4.000 2.871 2.792 2.940 . 0 0 "[ . 1 . 2]" 1
859 1 54 THR HB 1 55 PRO HD3 . . 4.250 3.946 3.880 4.003 . 0 0 "[ . 1 . 2]" 1
860 1 54 THR MG 1 55 PRO HD2 . . 4.340 3.905 3.899 3.913 . 0 0 "[ . 1 . 2]" 1
861 1 54 THR MG 1 55 PRO HD3 . . 5.050 4.716 4.712 4.719 . 0 0 "[ . 1 . 2]" 1
862 1 54 THR MG 1 56 VAL QG . . 4.580 4.205 4.145 4.281 . 0 0 "[ . 1 . 2]" 1
863 1 55 PRO HA 1 56 VAL H . . 3.050 2.160 2.159 2.161 . 0 0 "[ . 1 . 2]" 1
864 1 55 PRO HB2 1 56 VAL H . . 4.500 3.476 3.472 3.479 . 0 0 "[ . 1 . 2]" 1
865 1 55 PRO HB3 1 56 VAL QG . . 5.500 5.462 5.450 5.476 . 0 0 "[ . 1 . 2]" 1
866 1 56 VAL H 1 56 VAL HB . . 4.000 3.191 3.177 3.199 . 0 0 "[ . 1 . 2]" 1
867 1 56 VAL H 1 56 VAL QG . . 3.920 2.326 2.302 2.368 . 0 0 "[ . 1 . 2]" 1
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