NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
608650 |
2nd2   |
26045 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nd2
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 755
_Distance_constraint_stats_list.Viol_count 708
_Distance_constraint_stats_list.Viol_total 1774.498
_Distance_constraint_stats_list.Viol_max 1.513
_Distance_constraint_stats_list.Viol_rms 0.0466
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.1253
_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 ALA 0.858 0.163 10 0 "[ . 1 . 2]"
1 2 PRO 0.950 0.163 10 0 "[ . 1 . 2]"
1 3 CYS 2.588 0.293 12 0 "[ . 1 . 2]"
1 4 GLU 0.280 0.105 3 0 "[ . 1 . 2]"
1 5 ASP 0.423 0.145 15 0 "[ . 1 . 2]"
1 6 LEU 2.136 0.236 3 0 "[ . 1 . 2]"
1 7 LYS 1.773 0.293 12 0 "[ . 1 . 2]"
1 8 GLU 2.844 0.243 2 0 "[ . 1 . 2]"
1 9 ARG 3.300 0.221 6 0 "[ . 1 . 2]"
1 10 LEU 1.352 0.368 18 0 "[ . 1 . 2]"
1 11 LYS 2.641 0.243 2 0 "[ . 1 . 2]"
1 12 LYS 2.470 0.217 11 0 "[ . 1 . 2]"
1 13 LEU 4.420 0.221 6 0 "[ . 1 . 2]"
1 14 GLY 0.462 0.180 19 0 "[ . 1 . 2]"
1 15 MET 10.563 0.489 19 0 "[ . 1 . 2]"
1 16 SER 2.385 0.193 11 0 "[ . 1 . 2]"
1 17 GLU 5.795 0.444 11 0 "[ . 1 . 2]"
1 18 GLU 4.834 0.388 19 0 "[ . 1 . 2]"
1 19 CYS 14.168 0.489 19 0 "[ . 1 . 2]"
1 20 ARG 35.598 1.513 1 11 "[+** * * *-*. ** *]"
1 21 GLN 9.895 0.855 17 3 "[* . 1 - . + 2]"
1 22 ARG 4.264 0.212 9 0 "[ . 1 . 2]"
1 23 LEU 26.294 1.513 1 11 "[+** * - ***. ** *]"
1 24 GLU 2.483 0.426 18 0 "[ . 1 . 2]"
1 25 LYS 4.798 0.426 18 0 "[ . 1 . 2]"
1 26 MET 2.388 0.174 11 0 "[ . 1 . 2]"
1 27 CYS 0.859 0.117 19 0 "[ . 1 . 2]"
1 28 LYS 2.143 0.218 10 0 "[ . 1 . 2]"
1 29 GLU 0.587 0.128 14 0 "[ . 1 . 2]"
1 30 GLY 0.679 0.142 6 0 "[ . 1 . 2]"
1 31 THR 0.870 0.147 20 0 "[ . 1 . 2]"
1 32 SER 0.513 0.142 6 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.533 0.133 18 0 "[ . 1 . 2]"
1 35 ALA 0.013 0.013 12 0 "[ . 1 . 2]"
1 36 GLU 1.300 0.356 5 0 "[ . 1 . 2]"
1 37 ARG 0.686 0.157 13 0 "[ . 1 . 2]"
1 38 MET 2.227 0.356 5 0 "[ . 1 . 2]"
1 39 ALA 0.231 0.102 8 0 "[ . 1 . 2]"
1 40 ARG 1.733 0.243 17 0 "[ . 1 . 2]"
1 41 ASN 3.085 0.258 15 0 "[ . 1 . 2]"
1 42 CYS 0.727 0.283 13 0 "[ . 1 . 2]"
1 43 GLU 0.614 0.116 20 0 "[ . 1 . 2]"
1 44 SER 0.727 0.283 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 PRO HD2 3.460 . 3.460 2.492 2.088 2.966 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA HA 1 2 PRO QD 2.940 . 2.940 2.046 1.887 2.184 . 0 0 "[ . 1 . 2]" 1
3 1 1 ALA HA 1 2 PRO HD3 3.460 . 3.460 2.281 1.909 2.525 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA HA 1 2 PRO QG 5.190 . 5.190 3.961 3.745 4.120 . 0 0 "[ . 1 . 2]" 1
5 1 1 ALA HA 1 4 GLU QB 5.780 . 5.780 4.267 3.452 4.977 . 0 0 "[ . 1 . 2]" 1
6 1 1 ALA MB 1 2 PRO HD2 3.900 . 3.900 2.994 2.295 3.927 0.027 7 0 "[ . 1 . 2]" 1
7 1 1 ALA MB 1 2 PRO QD 3.310 . 3.310 2.833 2.239 3.412 0.102 13 0 "[ . 1 . 2]" 1
8 1 1 ALA MB 1 2 PRO HD3 3.900 . 3.900 3.669 3.111 4.063 0.163 10 0 "[ . 1 . 2]" 1
9 1 1 ALA MB 1 3 CYS H 5.120 . 5.120 4.075 3.289 4.778 . 0 0 "[ . 1 . 2]" 1
10 1 1 ALA MB 1 4 GLU H 5.190 . 5.190 3.051 2.612 3.418 . 0 0 "[ . 1 . 2]" 1
11 1 1 ALA MB 1 4 GLU QG 4.600 . 4.600 2.584 2.039 3.511 . 0 0 "[ . 1 . 2]" 1
12 1 1 ALA MB 1 5 ASP H 5.220 . 5.220 3.155 2.019 4.045 . 0 0 "[ . 1 . 2]" 1
13 1 2 PRO QB 1 3 CYS H 4.270 . 4.270 3.066 2.007 4.082 . 0 0 "[ . 1 . 2]" 1
14 1 2 PRO QB 1 3 CYS QB 5.550 . 5.550 3.634 3.082 4.225 . 0 0 "[ . 1 . 2]" 1
15 1 2 PRO QD 1 3 CYS H 5.040 . 5.040 3.497 2.449 4.752 . 0 0 "[ . 1 . 2]" 1
16 1 2 PRO QG 1 3 CYS H 5.060 . 5.060 3.626 1.933 4.981 . 0 0 "[ . 1 . 2]" 1
17 1 2 PRO QG 1 4 GLU H 5.150 . 5.150 4.393 3.220 5.243 0.093 19 0 "[ . 1 . 2]" 1
18 1 3 CYS CB 1 27 CYS SG 3.680 . 3.680 3.001 2.968 3.033 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS H 1 3 CYS QB 3.790 . 3.790 2.907 2.481 3.431 . 0 0 "[ . 1 . 2]" 1
20 1 3 CYS H 1 4 GLU H 4.040 . 4.040 2.335 1.717 2.921 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS H 1 4 GLU HA 5.780 . 5.780 4.641 3.947 5.397 . 0 0 "[ . 1 . 2]" 1
22 1 3 CYS H 1 5 ASP H 5.780 . 5.780 4.471 3.896 4.944 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS H 1 6 LEU H 5.780 . 5.780 5.052 4.367 5.620 . 0 0 "[ . 1 . 2]" 1
24 1 3 CYS H 1 6 LEU QD 5.710 . 5.710 5.454 4.946 5.946 0.236 3 0 "[ . 1 . 2]" 1
25 1 3 CYS H 1 7 LYS H 5.780 . 5.780 5.806 5.660 6.073 0.293 12 0 "[ . 1 . 2]" 1
26 1 3 CYS HA 1 6 LEU H 4.390 . 4.390 3.365 2.906 3.682 . 0 0 "[ . 1 . 2]" 1
27 1 3 CYS HA 1 6 LEU HB2 4.470 . 4.470 3.424 2.723 3.919 . 0 0 "[ . 1 . 2]" 1
28 1 3 CYS HA 1 6 LEU HB3 4.510 . 4.510 2.984 2.507 3.575 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS HA 1 6 LEU MD1 5.410 . 5.410 4.070 3.497 5.445 0.035 11 0 "[ . 1 . 2]" 1
30 1 3 CYS HA 1 6 LEU QD 4.270 . 4.270 3.680 3.294 4.130 . 0 0 "[ . 1 . 2]" 1
31 1 3 CYS HA 1 6 LEU MD2 5.410 . 5.410 4.381 3.828 5.078 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS HA 1 7 LYS H 5.700 . 5.700 4.266 3.942 4.766 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS QB 1 4 GLU H 4.250 . 4.250 3.663 3.186 3.877 . 0 0 "[ . 1 . 2]" 1
34 1 3 CYS QB 1 5 ASP H 5.780 . 5.780 5.340 5.089 5.538 . 0 0 "[ . 1 . 2]" 1
35 1 3 CYS QB 1 6 LEU H 4.890 . 4.890 4.712 3.907 5.016 0.126 20 0 "[ . 1 . 2]" 1
36 1 3 CYS QB 1 6 LEU MD1 5.780 . 5.780 4.234 2.507 5.787 0.007 11 0 "[ . 1 . 2]" 1
37 1 3 CYS QB 1 6 LEU QD 4.470 . 4.470 3.461 2.136 4.478 0.008 20 0 "[ . 1 . 2]" 1
38 1 3 CYS QB 1 6 LEU MD2 5.780 . 5.780 3.961 2.171 5.298 . 0 0 "[ . 1 . 2]" 1
39 1 3 CYS QB 1 24 GLU HA 5.700 . 5.700 4.263 2.994 5.429 . 0 0 "[ . 1 . 2]" 1
40 1 3 CYS SG 1 27 CYS CB 3.680 . 3.680 3.009 2.968 3.060 . 0 0 "[ . 1 . 2]" 1
41 1 3 CYS SG 1 27 CYS SG 2.620 . 2.620 2.025 2.018 2.033 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLU H 1 4 GLU QB 3.510 . 3.510 2.436 2.201 2.642 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLU H 1 4 GLU HG2 4.840 . 4.840 3.008 1.876 4.463 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLU H 1 4 GLU HG3 4.840 . 4.840 3.533 1.995 4.589 . 0 0 "[ . 1 . 2]" 1
45 1 4 GLU H 1 5 ASP H 3.720 . 3.720 2.630 2.368 2.895 . 0 0 "[ . 1 . 2]" 1
46 1 4 GLU H 1 5 ASP QB 5.780 . 5.780 4.521 4.192 5.003 . 0 0 "[ . 1 . 2]" 1
47 1 4 GLU H 1 6 LEU H 5.330 . 5.330 3.964 3.724 4.199 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLU H 1 6 LEU HB2 5.780 . 5.780 5.574 5.105 5.885 0.105 3 0 "[ . 1 . 2]" 1
49 1 4 GLU H 1 7 LYS H 5.500 . 5.500 4.651 4.348 4.898 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLU HA 1 4 GLU HG2 3.920 . 3.920 3.068 2.453 3.808 . 0 0 "[ . 1 . 2]" 1
51 1 4 GLU HA 1 4 GLU HG3 3.920 . 3.920 3.501 2.644 3.858 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLU HA 1 7 LYS H 4.880 . 4.880 3.541 3.196 4.044 . 0 0 "[ . 1 . 2]" 1
53 1 4 GLU QB 1 5 ASP H 3.890 . 3.890 2.564 2.238 3.394 . 0 0 "[ . 1 . 2]" 1
54 1 4 GLU QB 1 5 ASP HA 4.630 . 4.630 4.048 3.756 4.444 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLU QB 1 6 LEU H 5.390 . 5.390 4.674 4.529 5.221 . 0 0 "[ . 1 . 2]" 1
56 1 4 GLU QB 1 7 LYS H 5.780 . 5.780 4.975 4.649 5.358 . 0 0 "[ . 1 . 2]" 1
57 1 4 GLU QG 1 5 ASP H 5.610 . 5.610 3.823 2.057 4.442 . 0 0 "[ . 1 . 2]" 1
58 1 5 ASP H 1 5 ASP QB 3.450 . 3.450 2.420 2.201 2.684 . 0 0 "[ . 1 . 2]" 1
59 1 5 ASP H 1 6 LEU H 3.460 . 3.460 2.656 2.419 2.755 . 0 0 "[ . 1 . 2]" 1
60 1 5 ASP H 1 6 LEU HB2 5.780 . 5.780 4.879 4.488 5.081 . 0 0 "[ . 1 . 2]" 1
61 1 5 ASP H 1 6 LEU HB3 5.780 . 5.780 4.866 4.534 5.158 . 0 0 "[ . 1 . 2]" 1
62 1 5 ASP H 1 6 LEU QD 5.710 . 5.710 5.578 5.439 5.732 0.022 16 0 "[ . 1 . 2]" 1
63 1 5 ASP H 1 8 GLU QG 5.780 . 5.780 4.666 3.962 5.479 . 0 0 "[ . 1 . 2]" 1
64 1 5 ASP HA 1 7 LYS H 5.610 . 5.610 4.609 4.299 4.850 . 0 0 "[ . 1 . 2]" 1
65 1 5 ASP HA 1 8 GLU H 4.840 . 4.840 3.832 3.325 4.194 . 0 0 "[ . 1 . 2]" 1
66 1 5 ASP HA 1 8 GLU QB 4.790 . 4.790 3.375 2.582 4.299 . 0 0 "[ . 1 . 2]" 1
67 1 5 ASP HA 1 8 GLU QG 4.770 . 4.770 3.137 2.192 4.317 . 0 0 "[ . 1 . 2]" 1
68 1 5 ASP HA 1 9 ARG H 4.690 . 4.690 4.502 4.226 4.755 0.065 15 0 "[ . 1 . 2]" 1
69 1 5 ASP QB 1 6 LEU H 3.520 . 3.520 2.604 2.364 3.548 0.028 14 0 "[ . 1 . 2]" 1
70 1 5 ASP QB 1 7 LYS H 5.780 . 5.780 4.818 4.579 5.422 . 0 0 "[ . 1 . 2]" 1
71 1 5 ASP QB 1 8 GLU H 5.690 . 5.690 5.173 4.710 5.488 . 0 0 "[ . 1 . 2]" 1
72 1 5 ASP QB 1 9 ARG H 5.780 . 5.780 5.292 4.809 5.925 0.145 15 0 "[ . 1 . 2]" 1
73 1 6 LEU H 1 6 LEU HB2 3.290 . 3.290 2.435 2.288 2.612 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU H 1 6 LEU HB3 3.410 . 3.410 2.522 2.348 2.682 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU H 1 6 LEU MD1 4.960 . 4.960 4.229 4.122 4.341 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU H 1 6 LEU QD 3.910 . 3.910 3.781 3.706 3.840 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU H 1 6 LEU MD2 4.960 . 4.960 4.264 4.096 4.356 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU H 1 6 LEU HG 4.740 . 4.740 4.492 4.391 4.588 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU H 1 7 LYS H 3.870 . 3.870 2.635 2.444 2.808 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU H 1 7 LYS HA 5.780 . 5.780 5.263 5.107 5.395 . 0 0 "[ . 1 . 2]" 1
81 1 6 LEU H 1 8 GLU QB 5.780 . 5.780 5.353 4.910 5.847 0.067 5 0 "[ . 1 . 2]" 1
82 1 6 LEU H 1 8 GLU QG 5.780 . 5.780 4.970 4.124 5.870 0.090 7 0 "[ . 1 . 2]" 1
83 1 6 LEU HA 1 6 LEU MD1 4.250 . 4.250 3.449 2.261 3.744 . 0 0 "[ . 1 . 2]" 1
84 1 6 LEU HA 1 6 LEU QD 3.630 . 3.630 2.923 2.106 3.212 . 0 0 "[ . 1 . 2]" 1
85 1 6 LEU HA 1 6 LEU MD2 4.250 . 4.250 3.344 2.130 3.992 . 0 0 "[ . 1 . 2]" 1
86 1 6 LEU HA 1 6 LEU HG 3.960 . 3.960 2.720 2.421 3.818 . 0 0 "[ . 1 . 2]" 1
87 1 6 LEU HB2 1 7 LYS H 4.110 . 4.110 3.803 3.568 3.979 . 0 0 "[ . 1 . 2]" 1
88 1 6 LEU HB3 1 7 LYS H 3.750 . 3.750 2.562 2.342 2.814 . 0 0 "[ . 1 . 2]" 1
89 1 6 LEU QD 1 8 GLU H 5.710 . 5.710 4.939 4.609 5.385 . 0 0 "[ . 1 . 2]" 1
90 1 6 LEU QD 1 9 ARG H 5.710 . 5.710 4.708 3.983 5.106 . 0 0 "[ . 1 . 2]" 1
91 1 6 LEU QD 1 25 LYS H 5.710 . 5.710 5.171 4.543 5.581 . 0 0 "[ . 1 . 2]" 1
92 1 6 LEU QD 1 26 MET H 5.710 . 5.710 5.178 4.768 5.634 . 0 0 "[ . 1 . 2]" 1
93 1 6 LEU QD 1 27 CYS H 5.710 . 5.710 3.966 3.559 4.410 . 0 0 "[ . 1 . 2]" 1
94 1 6 LEU QD 1 27 CYS HB2 4.460 . 4.460 2.355 1.825 3.787 . 0 0 "[ . 1 . 2]" 1
95 1 6 LEU QD 1 27 CYS HB3 5.050 . 5.050 3.169 2.653 3.904 . 0 0 "[ . 1 . 2]" 1
96 1 6 LEU QD 1 35 ALA H 5.710 . 5.710 3.880 3.328 4.961 . 0 0 "[ . 1 . 2]" 1
97 1 6 LEU QD 1 35 ALA MB 4.320 . 4.320 1.918 1.630 2.507 . 0 0 "[ . 1 . 2]" 1
98 1 6 LEU QD 1 36 GLU H 4.760 . 4.760 2.760 2.162 3.841 . 0 0 "[ . 1 . 2]" 1
99 1 6 LEU QD 1 36 GLU HA 4.690 . 4.690 3.009 2.216 4.289 . 0 0 "[ . 1 . 2]" 1
100 1 6 LEU QD 1 36 GLU QB 4.840 . 4.840 2.500 2.001 3.885 . 0 0 "[ . 1 . 2]" 1
101 1 6 LEU MD1 1 7 LYS H 5.060 . 5.060 4.622 3.074 5.004 . 0 0 "[ . 1 . 2]" 1
102 1 6 LEU MD1 1 24 GLU HA 5.060 . 5.060 4.495 2.148 5.174 0.114 19 0 "[ . 1 . 2]" 1
103 1 6 LEU MD1 1 27 CYS HB3 5.780 . 5.780 3.929 3.012 5.283 . 0 0 "[ . 1 . 2]" 1
104 1 6 LEU MD2 1 7 LYS H 5.060 . 5.060 3.545 3.125 4.477 . 0 0 "[ . 1 . 2]" 1
105 1 6 LEU MD2 1 24 GLU HA 5.060 . 5.060 3.226 2.263 4.645 . 0 0 "[ . 1 . 2]" 1
106 1 6 LEU MD2 1 27 CYS HB3 5.780 . 5.780 3.600 2.666 5.016 . 0 0 "[ . 1 . 2]" 1
107 1 6 LEU HG 1 7 LYS H 5.390 . 5.390 4.591 3.622 4.967 . 0 0 "[ . 1 . 2]" 1
108 1 7 LYS H 1 7 LYS QB 3.320 . 3.320 2.248 2.150 2.514 . 0 0 "[ . 1 . 2]" 1
109 1 7 LYS H 1 7 LYS QD 4.920 . 4.920 4.441 2.972 4.833 . 0 0 "[ . 1 . 2]" 1
110 1 7 LYS H 1 7 LYS QE 5.780 . 5.780 4.443 3.707 5.956 0.176 3 0 "[ . 1 . 2]" 1
111 1 7 LYS H 1 7 LYS QG 4.370 . 4.370 3.743 2.145 4.075 . 0 0 "[ . 1 . 2]" 1
112 1 7 LYS H 1 8 GLU H 3.300 . 3.300 2.692 2.547 2.929 . 0 0 "[ . 1 . 2]" 1
113 1 7 LYS H 1 8 GLU QB 5.780 . 5.780 4.792 4.523 5.060 . 0 0 "[ . 1 . 2]" 1
114 1 7 LYS H 1 8 GLU QG 5.780 . 5.780 4.260 4.003 4.677 . 0 0 "[ . 1 . 2]" 1
115 1 7 LYS H 1 10 LEU MD1 5.780 . 5.780 4.366 4.026 4.627 . 0 0 "[ . 1 . 2]" 1
116 1 7 LYS HA 1 7 LYS QD 4.540 . 4.540 4.000 2.082 4.554 0.014 14 0 "[ . 1 . 2]" 1
117 1 7 LYS HA 1 7 LYS HG2 4.150 . 4.150 3.217 2.566 3.870 . 0 0 "[ . 1 . 2]" 1
118 1 7 LYS HA 1 7 LYS HG3 4.150 . 4.150 2.934 2.450 4.108 . 0 0 "[ . 1 . 2]" 1
119 1 7 LYS HA 1 9 ARG H 5.780 . 5.780 4.291 4.057 4.499 . 0 0 "[ . 1 . 2]" 1
120 1 7 LYS HA 1 10 LEU H 4.360 . 4.360 3.338 3.015 3.720 . 0 0 "[ . 1 . 2]" 1
121 1 7 LYS HA 1 10 LEU HB2 4.270 . 4.270 3.082 2.424 3.543 . 0 0 "[ . 1 . 2]" 1
122 1 7 LYS HA 1 10 LEU HB3 5.440 . 5.440 4.369 3.871 4.761 . 0 0 "[ . 1 . 2]" 1
123 1 7 LYS HA 1 10 LEU MD1 3.810 . 3.810 2.262 1.946 2.517 . 0 0 "[ . 1 . 2]" 1
124 1 7 LYS HA 1 10 LEU MD2 4.420 . 4.420 3.831 3.510 4.219 . 0 0 "[ . 1 . 2]" 1
125 1 7 LYS HA 1 11 LYS H 5.740 . 5.740 4.587 4.214 5.147 . 0 0 "[ . 1 . 2]" 1
126 1 7 LYS QB 1 7 LYS QD 3.130 . 3.130 2.433 2.269 2.783 . 0 0 "[ . 1 . 2]" 1
127 1 7 LYS QB 1 7 LYS QE 4.230 . 4.230 2.290 1.815 3.923 . 0 0 "[ . 1 . 2]" 1
128 1 7 LYS QB 1 8 GLU H 3.570 . 3.570 2.733 2.363 3.589 0.019 14 0 "[ . 1 . 2]" 1
129 1 7 LYS QD 1 8 GLU H 5.290 . 5.290 4.698 2.304 5.470 0.180 4 0 "[ . 1 . 2]" 1
130 1 7 LYS QE 1 8 GLU H 5.780 . 5.780 4.695 3.504 5.827 0.047 3 0 "[ . 1 . 2]" 1
131 1 7 LYS QG 1 8 GLU H 4.610 . 4.610 3.697 2.405 4.235 . 0 0 "[ . 1 . 2]" 1
132 1 7 LYS HG2 1 8 GLU H 5.320 . 5.320 4.017 2.545 5.132 . 0 0 "[ . 1 . 2]" 1
133 1 7 LYS HG3 1 8 GLU H 5.320 . 5.320 4.595 2.957 5.143 . 0 0 "[ . 1 . 2]" 1
134 1 8 GLU H 1 8 GLU QB 3.130 . 3.130 2.490 2.364 2.607 . 0 0 "[ . 1 . 2]" 1
135 1 8 GLU H 1 8 GLU QG 3.460 . 3.460 2.280 2.103 2.532 . 0 0 "[ . 1 . 2]" 1
136 1 8 GLU H 1 9 ARG H 3.500 . 3.500 2.589 2.484 2.684 . 0 0 "[ . 1 . 2]" 1
137 1 8 GLU H 1 10 LEU H 5.480 . 5.480 4.020 3.815 4.213 . 0 0 "[ . 1 . 2]" 1
138 1 8 GLU H 1 10 LEU MD1 5.780 . 5.780 5.238 5.051 5.540 . 0 0 "[ . 1 . 2]" 1
139 1 8 GLU HA 1 11 LYS H 4.070 . 4.070 3.452 3.237 3.787 . 0 0 "[ . 1 . 2]" 1
140 1 8 GLU HA 1 11 LYS QB 4.180 . 4.180 3.318 2.610 4.220 0.040 17 0 "[ . 1 . 2]" 1
141 1 8 GLU HA 1 11 LYS QG 4.750 . 4.750 3.200 2.024 4.807 0.057 7 0 "[ . 1 . 2]" 1
142 1 8 GLU QB 1 9 ARG H 3.740 . 3.740 2.995 2.507 3.667 . 0 0 "[ . 1 . 2]" 1
143 1 8 GLU QG 1 9 ARG H 4.960 . 4.960 3.721 2.179 4.388 . 0 0 "[ . 1 . 2]" 1
144 1 8 GLU QG 1 11 LYS H 5.780 . 5.780 5.796 5.269 6.023 0.243 2 0 "[ . 1 . 2]" 1
145 1 9 ARG H 1 9 ARG HB2 3.660 . 3.660 2.453 2.299 2.664 . 0 0 "[ . 1 . 2]" 1
146 1 9 ARG H 1 9 ARG HB3 3.630 . 3.630 3.535 2.658 3.663 0.033 3 0 "[ . 1 . 2]" 1
147 1 9 ARG H 1 9 ARG QD 5.180 . 5.180 4.042 3.664 4.892 . 0 0 "[ . 1 . 2]" 1
148 1 9 ARG H 1 9 ARG HE 5.780 . 5.780 4.725 3.577 5.500 . 0 0 "[ . 1 . 2]" 1
149 1 9 ARG H 1 9 ARG HG2 4.660 . 4.660 3.749 3.454 4.535 . 0 0 "[ . 1 . 2]" 1
150 1 9 ARG H 1 9 ARG QG 3.830 . 3.830 2.564 2.121 3.950 0.120 16 0 "[ . 1 . 2]" 1
151 1 9 ARG H 1 9 ARG HG3 4.660 . 4.660 2.635 2.141 4.346 . 0 0 "[ . 1 . 2]" 1
152 1 9 ARG H 1 10 LEU H 3.840 . 3.840 2.619 2.515 2.751 . 0 0 "[ . 1 . 2]" 1
153 1 9 ARG H 1 10 LEU MD1 5.780 . 5.780 5.352 5.152 5.522 . 0 0 "[ . 1 . 2]" 1
154 1 9 ARG H 1 10 LEU MD2 5.780 . 5.780 4.690 4.404 5.171 . 0 0 "[ . 1 . 2]" 1
155 1 9 ARG HA 1 9 ARG QD 4.090 . 4.090 4.123 4.037 4.242 0.152 19 0 "[ . 1 . 2]" 1
156 1 9 ARG HA 1 9 ARG HG2 4.220 . 4.220 2.628 2.456 3.013 . 0 0 "[ . 1 . 2]" 1
157 1 9 ARG HA 1 9 ARG QG 3.650 . 3.650 2.446 2.336 2.604 . 0 0 "[ . 1 . 2]" 1
158 1 9 ARG HA 1 9 ARG HG3 4.220 . 4.220 2.969 2.515 3.137 . 0 0 "[ . 1 . 2]" 1
159 1 9 ARG HB2 1 9 ARG QG 2.730 . 2.730 2.380 2.302 2.413 . 0 0 "[ . 1 . 2]" 1
160 1 9 ARG HB2 1 10 LEU H 4.490 . 4.490 2.907 2.466 3.837 . 0 0 "[ . 1 . 2]" 1
161 1 9 ARG HB2 1 13 LEU QD 5.710 . 5.710 4.305 3.361 5.531 . 0 0 "[ . 1 . 2]" 1
162 1 9 ARG HB3 1 9 ARG QD 3.910 . 3.910 2.570 2.410 3.072 . 0 0 "[ . 1 . 2]" 1
163 1 9 ARG HB3 1 13 LEU QD 4.460 . 4.460 3.150 2.378 4.622 0.162 16 0 "[ . 1 . 2]" 1
164 1 9 ARG QD 1 10 LEU H 5.780 . 5.780 4.969 4.412 5.588 . 0 0 "[ . 1 . 2]" 1
165 1 9 ARG QD 1 10 LEU MD2 5.240 . 5.240 4.645 3.668 5.280 0.040 12 0 "[ . 1 . 2]" 1
166 1 9 ARG QD 1 13 LEU QD 5.130 . 5.130 4.031 3.075 5.211 0.081 5 0 "[ . 1 . 2]" 1
167 1 9 ARG HE 1 13 LEU QD 5.710 . 5.710 5.474 3.753 5.931 0.221 6 0 "[ . 1 . 2]" 1
168 1 9 ARG QG 1 10 LEU H 5.610 . 5.610 4.217 3.923 4.413 . 0 0 "[ . 1 . 2]" 1
169 1 10 LEU H 1 10 LEU HB2 3.510 . 3.510 2.652 2.482 2.763 . 0 0 "[ . 1 . 2]" 1
170 1 10 LEU H 1 10 LEU HB3 4.040 . 4.040 3.632 3.593 3.686 . 0 0 "[ . 1 . 2]" 1
171 1 10 LEU H 1 10 LEU MD2 3.750 . 3.750 2.908 2.699 3.303 . 0 0 "[ . 1 . 2]" 1
172 1 10 LEU H 1 10 LEU HG 3.200 . 3.200 2.220 1.997 2.403 . 0 0 "[ . 1 . 2]" 1
173 1 10 LEU H 1 11 LYS H 3.380 . 3.380 2.696 2.588 2.841 . 0 0 "[ . 1 . 2]" 1
174 1 10 LEU H 1 11 LYS QG 5.610 . 5.610 4.233 3.829 5.698 0.088 7 0 "[ . 1 . 2]" 1
175 1 10 LEU HA 1 10 LEU MD1 4.600 . 4.600 3.912 3.863 3.979 . 0 0 "[ . 1 . 2]" 1
176 1 10 LEU HA 1 10 LEU MD2 3.310 . 3.310 2.181 2.026 2.324 . 0 0 "[ . 1 . 2]" 1
177 1 10 LEU HA 1 10 LEU HG 3.710 . 3.710 3.359 3.155 3.477 . 0 0 "[ . 1 . 2]" 1
178 1 10 LEU HB3 1 11 LYS H 4.170 . 4.170 3.706 3.557 3.989 . 0 0 "[ . 1 . 2]" 1
179 1 10 LEU MD1 1 20 ARG H 5.780 . 5.780 4.499 4.033 4.951 . 0 0 "[ . 1 . 2]" 1
180 1 10 LEU MD1 1 20 ARG HA 3.540 . 3.540 2.186 1.699 2.954 . 0 0 "[ . 1 . 2]" 1
181 1 10 LEU MD1 1 20 ARG QD 5.020 . 5.020 4.036 2.697 4.919 . 0 0 "[ . 1 . 2]" 1
182 1 10 LEU MD1 1 23 LEU HB2 4.190 . 4.190 2.501 1.884 3.559 . 0 0 "[ . 1 . 2]" 1
183 1 10 LEU MD1 1 24 GLU H 4.270 . 4.270 3.057 2.577 3.691 . 0 0 "[ . 1 . 2]" 1
184 1 10 LEU MD1 1 24 GLU QB 4.380 . 4.380 3.483 1.885 4.459 0.079 18 0 "[ . 1 . 2]" 1
185 1 10 LEU MD1 1 25 LYS H 5.780 . 5.780 5.211 4.636 5.816 0.036 18 0 "[ . 1 . 2]" 1
186 1 10 LEU MD2 1 11 LYS H 4.850 . 4.850 4.562 4.466 4.704 . 0 0 "[ . 1 . 2]" 1
187 1 10 LEU MD2 1 15 MET ME 3.550 . 3.550 2.343 1.882 2.960 . 0 0 "[ . 1 . 2]" 1
188 1 10 LEU MD2 1 20 ARG HA 4.440 . 4.440 2.890 1.623 3.850 . 0 0 "[ . 1 . 2]" 1
189 1 10 LEU MD2 1 23 LEU HB2 3.750 . 3.750 2.800 2.185 3.312 . 0 0 "[ . 1 . 2]" 1
190 1 10 LEU MD2 1 24 GLU H 5.230 . 5.230 4.479 3.498 5.051 . 0 0 "[ . 1 . 2]" 1
191 1 10 LEU HG 1 24 GLU H 5.780 . 5.780 5.734 5.304 6.148 0.368 18 0 "[ . 1 . 2]" 1
192 1 11 LYS H 1 11 LYS QB 3.350 . 3.350 2.494 2.375 2.757 . 0 0 "[ . 1 . 2]" 1
193 1 11 LYS H 1 11 LYS QD 5.100 . 5.100 3.831 2.167 4.311 . 0 0 "[ . 1 . 2]" 1
194 1 11 LYS H 1 11 LYS QE 5.610 . 5.610 4.123 2.440 5.166 . 0 0 "[ . 1 . 2]" 1
195 1 11 LYS H 1 11 LYS QG 3.340 . 3.340 2.264 1.927 3.395 0.055 7 0 "[ . 1 . 2]" 1
196 1 11 LYS HA 1 14 GLY H 5.300 . 5.300 3.613 3.207 4.111 . 0 0 "[ . 1 . 2]" 1
197 1 11 LYS HB2 1 14 GLY H 5.780 . 5.780 5.461 5.132 5.730 . 0 0 "[ . 1 . 2]" 1
198 1 11 LYS HB3 1 14 GLY H 5.780 . 5.780 5.514 4.969 5.952 0.172 2 0 "[ . 1 . 2]" 1
199 1 12 LYS H 1 12 LYS HB2 3.700 . 3.700 2.505 2.208 2.735 . 0 0 "[ . 1 . 2]" 1
200 1 12 LYS H 1 12 LYS QB 3.140 . 3.140 2.230 2.137 2.287 . 0 0 "[ . 1 . 2]" 1
201 1 12 LYS H 1 12 LYS HB3 3.700 . 3.700 2.553 2.308 2.848 . 0 0 "[ . 1 . 2]" 1
202 1 12 LYS H 1 12 LYS HG2 5.060 . 5.060 4.474 4.208 4.608 . 0 0 "[ . 1 . 2]" 1
203 1 12 LYS H 1 12 LYS QG 4.290 . 4.290 4.014 3.867 4.091 . 0 0 "[ . 1 . 2]" 1
204 1 12 LYS H 1 12 LYS HG3 5.060 . 5.060 4.548 4.352 4.674 . 0 0 "[ . 1 . 2]" 1
205 1 12 LYS HA 1 12 LYS QD 4.200 . 4.200 3.450 2.235 4.351 0.151 3 0 "[ . 1 . 2]" 1
206 1 12 LYS HA 1 12 LYS HG2 4.300 . 4.300 2.927 2.463 3.935 . 0 0 "[ . 1 . 2]" 1
207 1 12 LYS HA 1 12 LYS QG 3.630 . 3.630 2.603 2.430 3.210 . 0 0 "[ . 1 . 2]" 1
208 1 12 LYS HA 1 12 LYS HG3 4.300 . 4.300 3.294 2.632 3.748 . 0 0 "[ . 1 . 2]" 1
209 1 12 LYS HA 1 14 GLY H 5.530 . 5.530 4.175 3.964 4.394 . 0 0 "[ . 1 . 2]" 1
210 1 12 LYS QB 1 13 LEU H 3.600 . 3.600 2.628 2.426 2.815 . 0 0 "[ . 1 . 2]" 1
211 1 12 LYS QB 1 13 LEU HA 5.610 . 5.610 4.209 3.990 4.568 . 0 0 "[ . 1 . 2]" 1
212 1 12 LYS QB 1 13 LEU QD 4.500 . 4.500 3.924 2.409 4.717 0.217 11 0 "[ . 1 . 2]" 1
213 1 12 LYS HB2 1 14 GLY H 5.780 . 5.780 5.546 5.261 5.740 . 0 0 "[ . 1 . 2]" 1
214 1 12 LYS HB3 1 14 GLY H 5.780 . 5.780 4.805 4.563 5.028 . 0 0 "[ . 1 . 2]" 1
215 1 12 LYS QD 1 13 LEU H 5.670 . 5.670 4.103 2.882 4.732 . 0 0 "[ . 1 . 2]" 1
216 1 12 LYS QD 1 13 LEU HA 4.820 . 4.820 4.120 2.853 4.972 0.152 17 0 "[ . 1 . 2]" 1
217 1 13 LEU H 1 13 LEU HB2 3.960 . 3.960 2.526 2.136 3.719 . 0 0 "[ . 1 . 2]" 1
218 1 13 LEU H 1 13 LEU QB 3.420 . 3.420 2.313 2.099 2.827 . 0 0 "[ . 1 . 2]" 1
219 1 13 LEU H 1 13 LEU HB3 3.960 . 3.960 3.061 2.456 3.644 . 0 0 "[ . 1 . 2]" 1
220 1 13 LEU H 1 13 LEU QD 4.400 . 4.400 3.269 2.241 3.788 . 0 0 "[ . 1 . 2]" 1
221 1 13 LEU H 1 13 LEU HG 4.480 . 4.480 3.668 2.079 4.560 0.080 20 0 "[ . 1 . 2]" 1
222 1 13 LEU H 1 14 GLY H 3.760 . 3.760 2.398 2.137 2.520 . 0 0 "[ . 1 . 2]" 1
223 1 13 LEU HA 1 13 LEU MD1 4.040 . 4.040 3.232 2.061 4.139 0.099 5 0 "[ . 1 . 2]" 1
224 1 13 LEU HA 1 13 LEU QD 3.380 . 3.380 2.454 2.044 3.482 0.102 19 0 "[ . 1 . 2]" 1
225 1 13 LEU HA 1 13 LEU MD2 4.040 . 4.040 3.202 2.051 4.131 0.091 19 0 "[ . 1 . 2]" 1
226 1 13 LEU HA 1 13 LEU HG 4.240 . 4.240 3.002 2.411 3.749 . 0 0 "[ . 1 . 2]" 1
227 1 13 LEU HA 1 14 GLY H 3.700 . 3.700 3.472 3.403 3.514 . 0 0 "[ . 1 . 2]" 1
228 1 13 LEU QB 1 14 GLY H 4.130 . 4.130 3.036 2.867 3.784 . 0 0 "[ . 1 . 2]" 1
229 1 13 LEU HB2 1 14 GLY H 4.710 . 4.710 3.596 2.985 4.348 . 0 0 "[ . 1 . 2]" 1
230 1 13 LEU HB3 1 14 GLY H 4.710 . 4.710 3.540 2.938 4.289 . 0 0 "[ . 1 . 2]" 1
231 1 13 LEU MD1 1 14 GLY H 5.780 . 5.780 4.715 3.046 5.195 . 0 0 "[ . 1 . 2]" 1
232 1 13 LEU MD2 1 14 GLY H 5.780 . 5.780 4.532 1.974 5.166 . 0 0 "[ . 1 . 2]" 1
233 1 14 GLY H 1 15 MET QG 5.610 . 5.610 4.266 3.765 5.790 0.180 19 0 "[ . 1 . 2]" 1
234 1 15 MET H 1 15 MET QB 3.770 . 3.770 2.650 2.433 3.192 . 0 0 "[ . 1 . 2]" 1
235 1 15 MET H 1 15 MET ME 4.560 . 4.560 3.619 3.217 4.503 . 0 0 "[ . 1 . 2]" 1
236 1 15 MET H 1 15 MET HG2 4.300 . 4.300 2.191 1.865 4.627 0.327 19 0 "[ . 1 . 2]" 1
237 1 15 MET H 1 15 MET QG 3.770 . 3.770 2.128 1.856 3.774 0.004 19 0 "[ . 1 . 2]" 1
238 1 15 MET H 1 15 MET HG3 4.300 . 4.300 3.331 3.018 4.123 . 0 0 "[ . 1 . 2]" 1
239 1 15 MET H 1 16 SER H 4.690 . 4.690 4.479 4.287 4.588 . 0 0 "[ . 1 . 2]" 1
240 1 15 MET H 1 19 CYS HB2 5.780 . 5.780 5.977 5.378 6.269 0.489 19 0 "[ . 1 . 2]" 1
241 1 15 MET HA 1 16 SER H 3.000 . 3.000 2.640 2.348 2.807 . 0 0 "[ . 1 . 2]" 1
242 1 15 MET HA 1 16 SER HB2 5.530 . 5.530 5.169 4.909 5.344 . 0 0 "[ . 1 . 2]" 1
243 1 15 MET QB 1 19 CYS HB2 4.390 . 4.390 3.111 2.795 3.610 . 0 0 "[ . 1 . 2]" 1
244 1 15 MET HB2 1 16 SER H 4.360 . 4.360 2.233 1.977 4.067 . 0 0 "[ . 1 . 2]" 1
245 1 15 MET HB2 1 19 CYS HB2 5.100 . 5.100 3.220 2.833 4.628 . 0 0 "[ . 1 . 2]" 1
246 1 15 MET HB2 1 19 CYS HB3 5.060 . 5.060 3.225 2.247 5.046 . 0 0 "[ . 1 . 2]" 1
247 1 15 MET HB3 1 16 SER H 4.360 . 4.360 3.612 3.411 3.735 . 0 0 "[ . 1 . 2]" 1
248 1 15 MET HB3 1 19 CYS HB2 5.100 . 5.100 4.607 3.494 5.182 0.082 5 0 "[ . 1 . 2]" 1
249 1 15 MET HB3 1 19 CYS HB3 5.060 . 5.060 4.378 3.661 5.157 0.097 8 0 "[ . 1 . 2]" 1
250 1 15 MET ME 1 19 CYS HB3 5.660 . 5.660 3.864 2.406 4.413 . 0 0 "[ . 1 . 2]" 1
251 1 15 MET ME 1 20 ARG HA 4.550 . 4.550 4.478 4.130 4.690 0.140 3 0 "[ . 1 . 2]" 1
252 1 15 MET ME 1 23 LEU MD1 3.510 . 3.510 2.363 2.039 2.783 . 0 0 "[ . 1 . 2]" 1
253 1 15 MET ME 1 23 LEU MD2 4.500 . 4.500 4.291 3.638 4.706 0.206 8 0 "[ . 1 . 2]" 1
254 1 15 MET ME 1 39 ALA HA 4.070 . 4.070 2.858 2.316 3.314 . 0 0 "[ . 1 . 2]" 1
255 1 15 MET ME 1 41 ASN H 5.780 . 5.780 5.709 5.019 6.038 0.258 15 0 "[ . 1 . 2]" 1
256 1 15 MET ME 1 42 CYS H 5.780 . 5.780 4.786 3.686 5.254 . 0 0 "[ . 1 . 2]" 1
257 1 15 MET QG 1 16 SER H 4.320 . 4.320 3.054 2.017 3.642 . 0 0 "[ . 1 . 2]" 1
258 1 15 MET QG 1 19 CYS HB3 5.490 . 5.490 2.656 1.885 3.700 . 0 0 "[ . 1 . 2]" 1
259 1 15 MET HG2 1 16 SER H 4.900 . 4.900 4.131 2.052 4.533 . 0 0 "[ . 1 . 2]" 1
260 1 15 MET HG2 1 19 CYS H 5.780 . 5.780 5.733 4.166 6.012 0.232 1 0 "[ . 1 . 2]" 1
261 1 15 MET HG2 1 19 CYS HB2 5.780 . 5.780 4.468 1.892 5.290 . 0 0 "[ . 1 . 2]" 1
262 1 15 MET HG2 1 20 ARG H 5.780 . 5.780 4.314 3.198 4.609 . 0 0 "[ . 1 . 2]" 1
263 1 15 MET HG3 1 16 SER H 4.900 . 4.900 3.217 2.794 4.459 . 0 0 "[ . 1 . 2]" 1
264 1 15 MET HG3 1 19 CYS H 5.780 . 5.780 4.316 4.087 5.893 0.113 19 0 "[ . 1 . 2]" 1
265 1 15 MET HG3 1 19 CYS HB2 5.780 . 5.780 3.132 2.224 3.801 . 0 0 "[ . 1 . 2]" 1
266 1 15 MET HG3 1 20 ARG H 5.780 . 5.780 3.219 2.670 5.076 . 0 0 "[ . 1 . 2]" 1
267 1 16 SER H 1 16 SER HB2 3.540 . 3.540 2.537 2.463 2.633 . 0 0 "[ . 1 . 2]" 1
268 1 16 SER H 1 16 SER HB3 4.230 . 4.230 3.593 3.558 3.642 . 0 0 "[ . 1 . 2]" 1
269 1 16 SER H 1 19 CYS H 4.830 . 4.830 4.229 3.920 4.722 . 0 0 "[ . 1 . 2]" 1
270 1 16 SER H 1 19 CYS HB2 4.610 . 4.610 3.022 2.684 3.495 . 0 0 "[ . 1 . 2]" 1
271 1 16 SER H 1 19 CYS HB3 4.500 . 4.500 3.728 2.834 4.637 0.137 8 0 "[ . 1 . 2]" 1
272 1 16 SER H 1 20 ARG H 5.660 . 5.660 5.042 4.494 5.481 . 0 0 "[ . 1 . 2]" 1
273 1 16 SER H 1 23 LEU MD1 5.780 . 5.780 5.817 5.583 5.973 0.193 11 0 "[ . 1 . 2]" 1
274 1 16 SER HA 1 17 GLU H 2.760 . 2.760 2.288 2.216 2.407 . 0 0 "[ . 1 . 2]" 1
275 1 16 SER HA 1 17 GLU HA 4.840 . 4.840 4.383 4.306 4.471 . 0 0 "[ . 1 . 2]" 1
276 1 16 SER HA 1 17 GLU QB 5.610 . 5.610 4.428 4.099 4.649 . 0 0 "[ . 1 . 2]" 1
277 1 16 SER HA 1 18 GLU H 4.610 . 4.610 4.094 3.912 4.402 . 0 0 "[ . 1 . 2]" 1
278 1 16 SER HA 1 20 ARG H 5.780 . 5.780 5.581 5.299 5.940 0.160 7 0 "[ . 1 . 2]" 1
279 1 16 SER HB2 1 17 GLU H 4.250 . 4.250 3.989 3.805 4.161 . 0 0 "[ . 1 . 2]" 1
280 1 16 SER HB2 1 18 GLU H 4.550 . 4.550 3.624 3.258 4.033 . 0 0 "[ . 1 . 2]" 1
281 1 16 SER HB2 1 19 CYS H 5.300 . 5.300 2.522 2.104 3.109 . 0 0 "[ . 1 . 2]" 1
282 1 16 SER HB3 1 17 GLU H 3.400 . 3.400 2.998 2.737 3.278 . 0 0 "[ . 1 . 2]" 1
283 1 16 SER HB3 1 18 GLU H 3.910 . 3.910 2.902 2.584 3.345 . 0 0 "[ . 1 . 2]" 1
284 1 16 SER HB3 1 19 CYS H 4.870 . 4.870 3.253 2.896 3.772 . 0 0 "[ . 1 . 2]" 1
285 1 16 SER HB3 1 20 ARG H 5.780 . 5.780 5.491 5.134 5.872 0.092 16 0 "[ . 1 . 2]" 1
286 1 17 GLU H 1 17 GLU HB2 3.630 . 3.630 2.462 2.221 2.618 . 0 0 "[ . 1 . 2]" 1
287 1 17 GLU H 1 17 GLU QB 3.150 . 3.150 2.376 2.176 2.564 . 0 0 "[ . 1 . 2]" 1
288 1 17 GLU H 1 17 GLU HB3 3.630 . 3.630 3.315 2.486 3.667 0.037 13 0 "[ . 1 . 2]" 1
289 1 17 GLU H 1 17 GLU QG 3.990 . 3.990 2.994 1.925 4.078 0.088 4 0 "[ . 1 . 2]" 1
290 1 17 GLU H 1 18 GLU H 3.420 . 3.420 2.670 2.570 2.820 . 0 0 "[ . 1 . 2]" 1
291 1 17 GLU H 1 19 CYS H 5.670 . 5.670 4.082 3.833 4.360 . 0 0 "[ . 1 . 2]" 1
292 1 17 GLU H 1 19 CYS HB2 5.780 . 5.780 5.366 5.102 5.631 . 0 0 "[ . 1 . 2]" 1
293 1 17 GLU H 1 20 ARG QD 5.610 . 5.610 4.817 3.870 5.673 0.063 10 0 "[ . 1 . 2]" 1
294 1 17 GLU HA 1 20 ARG H 4.150 . 4.150 3.622 3.342 3.900 . 0 0 "[ . 1 . 2]" 1
295 1 17 GLU HA 1 20 ARG QB 4.430 . 4.430 3.757 3.067 4.657 0.227 4 0 "[ . 1 . 2]" 1
296 1 17 GLU HA 1 20 ARG HD2 5.180 . 5.180 3.348 1.963 4.474 . 0 0 "[ . 1 . 2]" 1
297 1 17 GLU HA 1 20 ARG QD 4.560 . 4.560 2.687 1.668 3.616 . 0 0 "[ . 1 . 2]" 1
298 1 17 GLU HA 1 20 ARG HD3 5.180 . 5.180 2.943 1.677 3.836 . 0 0 "[ . 1 . 2]" 1
299 1 17 GLU HA 1 20 ARG HE 5.420 . 5.420 2.999 1.793 5.020 . 0 0 "[ . 1 . 2]" 1
300 1 17 GLU HA 1 20 ARG HG2 4.800 . 4.800 4.196 3.467 4.531 . 0 0 "[ . 1 . 2]" 1
301 1 17 GLU HA 1 20 ARG HG3 4.800 . 4.800 3.162 2.358 4.720 . 0 0 "[ . 1 . 2]" 1
302 1 17 GLU HA 1 21 GLN H 5.700 . 5.700 4.473 4.211 5.081 . 0 0 "[ . 1 . 2]" 1
303 1 17 GLU QB 1 18 GLU H 3.410 . 3.410 2.774 2.305 3.063 . 0 0 "[ . 1 . 2]" 1
304 1 17 GLU QB 1 21 GLN HE21 5.610 . 5.610 3.014 2.101 4.725 . 0 0 "[ . 1 . 2]" 1
305 1 17 GLU HB2 1 18 GLU H 3.930 . 3.930 3.210 2.336 3.989 0.059 9 0 "[ . 1 . 2]" 1
306 1 17 GLU HB2 1 21 GLN HE22 5.780 . 5.780 4.628 3.496 5.863 0.083 4 0 "[ . 1 . 2]" 1
307 1 17 GLU HB3 1 18 GLU H 3.930 . 3.930 3.445 2.649 3.931 0.001 15 0 "[ . 1 . 2]" 1
308 1 17 GLU HB3 1 21 GLN HE22 5.780 . 5.780 3.599 3.049 4.669 . 0 0 "[ . 1 . 2]" 1
309 1 17 GLU QG 1 18 GLU H 5.340 . 5.340 4.211 3.671 4.765 . 0 0 "[ . 1 . 2]" 1
310 1 17 GLU QG 1 20 ARG H 5.780 . 5.780 5.456 4.702 5.845 0.065 1 0 "[ . 1 . 2]" 1
311 1 17 GLU QG 1 20 ARG QG 4.570 . 4.570 4.488 4.033 5.014 0.444 11 0 "[ . 1 . 2]" 1
312 1 17 GLU QG 1 21 GLN HE21 4.560 . 4.560 3.921 1.642 4.686 0.126 8 0 "[ . 1 . 2]" 1
313 1 17 GLU QG 1 21 GLN HE22 4.980 . 4.980 4.553 2.493 5.184 0.204 18 0 "[ . 1 . 2]" 1
314 1 18 GLU H 1 18 GLU HB2 3.680 . 3.680 2.639 2.444 3.611 . 0 0 "[ . 1 . 2]" 1
315 1 18 GLU H 1 18 GLU HB3 3.870 . 3.870 2.470 2.350 2.593 . 0 0 "[ . 1 . 2]" 1
316 1 18 GLU H 1 18 GLU QG 4.280 . 4.280 3.904 2.133 4.031 . 0 0 "[ . 1 . 2]" 1
317 1 18 GLU H 1 19 CYS H 3.510 . 3.510 2.592 2.431 2.796 . 0 0 "[ . 1 . 2]" 1
318 1 18 GLU H 1 19 CYS HB2 5.780 . 5.780 4.753 4.482 5.120 . 0 0 "[ . 1 . 2]" 1
319 1 18 GLU H 1 19 CYS HB3 5.780 . 5.780 5.523 4.912 6.031 0.251 14 0 "[ . 1 . 2]" 1
320 1 18 GLU HA 1 18 GLU QG 3.650 . 3.650 2.596 2.483 3.398 . 0 0 "[ . 1 . 2]" 1
321 1 18 GLU HA 1 20 ARG H 5.120 . 5.120 4.643 4.359 4.884 . 0 0 "[ . 1 . 2]" 1
322 1 18 GLU HA 1 20 ARG HE 5.780 . 5.780 5.870 5.471 6.168 0.388 19 0 "[ . 1 . 2]" 1
323 1 18 GLU HA 1 21 GLN HB2 3.630 . 3.630 2.828 2.378 3.417 . 0 0 "[ . 1 . 2]" 1
324 1 18 GLU HA 1 21 GLN HE21 5.780 . 5.780 3.214 2.042 5.184 . 0 0 "[ . 1 . 2]" 1
325 1 18 GLU HA 1 21 GLN HE22 5.190 . 5.190 3.637 3.012 4.680 . 0 0 "[ . 1 . 2]" 1
326 1 18 GLU HB2 1 19 CYS H 4.130 . 4.130 4.032 3.844 4.138 0.008 8 0 "[ . 1 . 2]" 1
327 1 18 GLU HB3 1 19 CYS H 4.140 . 4.140 2.887 2.502 3.946 . 0 0 "[ . 1 . 2]" 1
328 1 18 GLU HB3 1 20 ARG H 5.740 . 5.740 5.377 5.033 5.903 0.163 20 0 "[ . 1 . 2]" 1
329 1 18 GLU QG 1 19 CYS H 4.650 . 4.650 3.720 2.189 4.053 . 0 0 "[ . 1 . 2]" 1
330 1 18 GLU QG 1 19 CYS HA 5.040 . 5.040 3.682 3.410 4.084 . 0 0 "[ . 1 . 2]" 1
331 1 18 GLU QG 1 22 ARG H 5.730 . 5.730 4.376 4.043 5.732 0.002 20 0 "[ . 1 . 2]" 1
332 1 18 GLU QG 1 22 ARG HE 5.780 . 5.780 2.855 1.925 4.555 . 0 0 "[ . 1 . 2]" 1
333 1 19 CYS CB 1 42 CYS SG 3.680 . 3.680 3.039 2.972 3.092 . 0 0 "[ . 1 . 2]" 1
334 1 19 CYS H 1 19 CYS HB2 3.720 . 3.720 2.450 2.301 2.554 . 0 0 "[ . 1 . 2]" 1
335 1 19 CYS H 1 19 CYS HB3 3.510 . 3.510 3.089 2.564 3.582 0.072 19 0 "[ . 1 . 2]" 1
336 1 19 CYS H 1 20 ARG H 3.350 . 3.350 2.703 2.536 2.812 . 0 0 "[ . 1 . 2]" 1
337 1 19 CYS H 1 20 ARG HA 5.780 . 5.780 5.314 5.164 5.394 . 0 0 "[ . 1 . 2]" 1
338 1 19 CYS H 1 20 ARG HG2 5.780 . 5.780 5.792 5.437 6.153 0.373 16 0 "[ . 1 . 2]" 1
339 1 19 CYS H 1 20 ARG HG3 5.780 . 5.780 4.373 3.921 5.177 . 0 0 "[ . 1 . 2]" 1
340 1 19 CYS H 1 23 LEU MD1 5.780 . 5.780 5.393 4.922 5.743 . 0 0 "[ . 1 . 2]" 1
341 1 19 CYS HA 1 21 GLN H 5.090 . 5.090 4.568 4.342 4.768 . 0 0 "[ . 1 . 2]" 1
342 1 19 CYS HA 1 22 ARG H 4.610 . 4.610 3.686 3.414 3.892 . 0 0 "[ . 1 . 2]" 1
343 1 19 CYS HA 1 22 ARG HB2 4.050 . 4.050 2.870 2.578 3.017 . 0 0 "[ . 1 . 2]" 1
344 1 19 CYS HA 1 22 ARG HB3 4.330 . 4.330 4.400 3.966 4.522 0.192 20 0 "[ . 1 . 2]" 1
345 1 19 CYS HA 1 22 ARG HD2 4.790 . 4.790 3.028 1.909 4.877 0.087 17 0 "[ . 1 . 2]" 1
346 1 19 CYS HA 1 22 ARG HD3 4.790 . 4.790 3.989 3.256 4.429 . 0 0 "[ . 1 . 2]" 1
347 1 19 CYS HA 1 22 ARG QG 5.610 . 5.610 3.735 3.224 4.379 . 0 0 "[ . 1 . 2]" 1
348 1 19 CYS HA 1 23 LEU H 4.640 . 4.640 4.418 4.202 4.612 . 0 0 "[ . 1 . 2]" 1
349 1 19 CYS HB2 1 20 ARG H 3.900 . 3.900 3.158 2.461 3.747 . 0 0 "[ . 1 . 2]" 1
350 1 19 CYS HB2 1 23 LEU MD1 5.100 . 5.100 4.127 3.332 4.549 . 0 0 "[ . 1 . 2]" 1
351 1 19 CYS HB3 1 20 ARG H 4.050 . 4.050 2.850 2.272 3.548 . 0 0 "[ . 1 . 2]" 1
352 1 19 CYS HB3 1 20 ARG HA 4.570 . 4.570 4.152 3.973 4.516 . 0 0 "[ . 1 . 2]" 1
353 1 19 CYS HB3 1 21 GLN H 5.780 . 5.780 5.209 4.764 5.719 . 0 0 "[ . 1 . 2]" 1
354 1 19 CYS HB3 1 23 LEU MD1 4.690 . 4.690 3.177 2.171 3.933 . 0 0 "[ . 1 . 2]" 1
355 1 19 CYS SG 1 42 CYS CB 3.680 . 3.680 3.039 2.989 3.101 . 0 0 "[ . 1 . 2]" 1
356 1 19 CYS SG 1 42 CYS SG 2.620 . 2.620 2.030 2.020 2.039 . 0 0 "[ . 1 . 2]" 1
357 1 20 ARG H 1 20 ARG QB 3.200 . 3.200 2.725 2.564 2.988 . 0 0 "[ . 1 . 2]" 1
358 1 20 ARG H 1 20 ARG QD 5.580 . 5.580 3.192 1.595 4.261 . 0 0 "[ . 1 . 2]" 1
359 1 20 ARG H 1 20 ARG HE 5.780 . 5.780 4.052 3.509 4.726 . 0 0 "[ . 1 . 2]" 1
360 1 20 ARG H 1 20 ARG HG2 4.500 . 4.500 3.411 3.017 3.876 . 0 0 "[ . 1 . 2]" 1
361 1 20 ARG H 1 20 ARG QG 3.630 . 3.630 2.190 1.894 2.819 . 0 0 "[ . 1 . 2]" 1
362 1 20 ARG H 1 20 ARG HG3 4.500 . 4.500 2.222 1.905 2.896 . 0 0 "[ . 1 . 2]" 1
363 1 20 ARG H 1 23 LEU MD1 5.780 . 5.780 4.068 3.712 4.382 . 0 0 "[ . 1 . 2]" 1
364 1 20 ARG HA 1 20 ARG HD2 5.440 . 5.440 4.697 4.152 5.399 . 0 0 "[ . 1 . 2]" 1
365 1 20 ARG HA 1 20 ARG QD 4.600 . 4.600 3.986 3.558 4.386 . 0 0 "[ . 1 . 2]" 1
366 1 20 ARG HA 1 20 ARG HD3 5.440 . 5.440 4.492 3.703 5.105 . 0 0 "[ . 1 . 2]" 1
367 1 20 ARG HA 1 20 ARG QG 3.690 . 3.690 2.794 2.468 3.509 . 0 0 "[ . 1 . 2]" 1
368 1 20 ARG HA 1 22 ARG H 5.530 . 5.530 4.310 4.091 4.662 . 0 0 "[ . 1 . 2]" 1
369 1 20 ARG HA 1 23 LEU H 4.070 . 4.070 3.301 3.033 3.697 . 0 0 "[ . 1 . 2]" 1
370 1 20 ARG HA 1 23 LEU HB2 5.050 . 5.050 2.596 2.311 2.825 . 0 0 "[ . 1 . 2]" 1
371 1 20 ARG HA 1 23 LEU HB3 4.090 . 4.090 4.214 3.919 4.411 0.321 1 0 "[ . 1 . 2]" 1
372 1 20 ARG HA 1 23 LEU MD1 4.680 . 4.680 2.666 2.290 3.257 . 0 0 "[ . 1 . 2]" 1
373 1 20 ARG QB 1 20 ARG HE 5.040 . 5.040 2.210 1.895 2.717 . 0 0 "[ . 1 . 2]" 1
374 1 20 ARG QB 1 21 GLN H 3.730 . 3.730 2.633 2.149 3.593 . 0 0 "[ . 1 . 2]" 1
375 1 20 ARG QB 1 24 GLU H 5.710 . 5.710 4.374 3.876 4.797 . 0 0 "[ . 1 . 2]" 1
376 1 20 ARG QD 1 21 GLN HA 5.420 . 5.420 5.405 3.684 6.275 0.855 17 3 "[* . 1 - . + 2]" 1
377 1 20 ARG QD 1 21 GLN QG 5.150 . 5.150 4.055 2.039 5.088 . 0 0 "[ . 1 . 2]" 1
378 1 20 ARG QD 1 23 LEU H 5.610 . 5.610 6.353 5.452 7.123 1.513 1 11 "[+** * - ***. ** *]" 1
379 1 20 ARG HD2 1 21 GLN H 5.780 . 5.780 4.952 3.663 5.667 . 0 0 "[ . 1 . 2]" 1
380 1 20 ARG HD3 1 21 GLN H 5.780 . 5.780 4.300 1.908 5.990 0.210 17 0 "[ . 1 . 2]" 1
381 1 20 ARG HE 1 21 GLN HA 5.780 . 5.780 4.855 2.779 6.013 0.233 10 0 "[ . 1 . 2]" 1
382 1 20 ARG QG 1 22 ARG H 5.610 . 5.610 5.603 5.355 5.822 0.212 9 0 "[ . 1 . 2]" 1
383 1 20 ARG HG2 1 21 GLN H 5.240 . 5.240 4.796 4.387 5.163 . 0 0 "[ . 1 . 2]" 1
384 1 20 ARG HG3 1 21 GLN H 5.240 . 5.240 4.044 3.395 4.742 . 0 0 "[ . 1 . 2]" 1
385 1 21 GLN H 1 21 GLN HB2 3.450 . 3.450 2.454 2.338 2.595 . 0 0 "[ . 1 . 2]" 1
386 1 21 GLN H 1 21 GLN HB3 3.790 . 3.790 3.597 3.566 3.640 . 0 0 "[ . 1 . 2]" 1
387 1 21 GLN H 1 21 GLN QG 3.680 . 3.680 2.293 2.004 2.708 . 0 0 "[ . 1 . 2]" 1
388 1 21 GLN H 1 22 ARG H 3.380 . 3.380 2.657 2.539 2.762 . 0 0 "[ . 1 . 2]" 1
389 1 21 GLN HA 1 21 GLN HG2 4.420 . 4.420 2.611 2.441 2.737 . 0 0 "[ . 1 . 2]" 1
390 1 21 GLN HA 1 21 GLN QG 3.850 . 3.850 2.439 2.342 2.534 . 0 0 "[ . 1 . 2]" 1
391 1 21 GLN HA 1 21 GLN HG3 4.420 . 4.420 2.940 2.836 3.131 . 0 0 "[ . 1 . 2]" 1
392 1 21 GLN HA 1 24 GLU H 4.410 . 4.410 4.013 3.408 4.449 0.039 10 0 "[ . 1 . 2]" 1
393 1 21 GLN HB2 1 22 ARG H 3.960 . 3.960 2.820 2.574 3.035 . 0 0 "[ . 1 . 2]" 1
394 1 21 GLN QG 1 22 ARG H 4.890 . 4.890 4.207 3.969 4.434 . 0 0 "[ . 1 . 2]" 1
395 1 21 GLN HG2 1 22 ARG H 5.630 . 5.630 5.142 4.993 5.286 . 0 0 "[ . 1 . 2]" 1
396 1 21 GLN HG3 1 22 ARG H 5.630 . 5.630 4.467 4.167 4.794 . 0 0 "[ . 1 . 2]" 1
397 1 22 ARG H 1 22 ARG HB2 3.590 . 3.590 2.346 2.240 2.475 . 0 0 "[ . 1 . 2]" 1
398 1 22 ARG H 1 22 ARG HB3 3.520 . 3.520 3.570 3.529 3.623 0.103 19 0 "[ . 1 . 2]" 1
399 1 22 ARG H 1 22 ARG HD2 5.550 . 5.550 3.769 2.532 4.292 . 0 0 "[ . 1 . 2]" 1
400 1 22 ARG H 1 22 ARG QD 4.870 . 4.870 3.578 2.352 4.048 . 0 0 "[ . 1 . 2]" 1
401 1 22 ARG H 1 22 ARG HD3 5.550 . 5.550 4.469 2.793 4.959 . 0 0 "[ . 1 . 2]" 1
402 1 22 ARG H 1 22 ARG QG 3.710 . 3.710 2.732 2.276 3.726 0.016 17 0 "[ . 1 . 2]" 1
403 1 22 ARG H 1 23 LEU H 3.340 . 3.340 2.560 2.464 2.672 . 0 0 "[ . 1 . 2]" 1
404 1 22 ARG H 1 23 LEU MD1 5.580 . 5.580 5.071 4.795 5.294 . 0 0 "[ . 1 . 2]" 1
405 1 22 ARG H 1 24 GLU H 5.700 . 5.700 4.410 4.057 4.623 . 0 0 "[ . 1 . 2]" 1
406 1 22 ARG HA 1 22 ARG QG 3.680 . 3.680 2.452 2.374 2.592 . 0 0 "[ . 1 . 2]" 1
407 1 22 ARG HB2 1 23 LEU H 4.140 . 4.140 2.741 2.422 3.073 . 0 0 "[ . 1 . 2]" 1
408 1 22 ARG HB3 1 22 ARG HD2 4.250 . 4.250 3.321 3.059 3.830 . 0 0 "[ . 1 . 2]" 1
409 1 22 ARG HB3 1 22 ARG QD 3.720 . 3.720 2.628 2.356 3.370 . 0 0 "[ . 1 . 2]" 1
410 1 22 ARG HB3 1 22 ARG HD3 4.250 . 4.250 2.784 2.432 3.822 . 0 0 "[ . 1 . 2]" 1
411 1 22 ARG HB3 1 23 LEU H 4.140 . 4.140 3.554 3.386 3.736 . 0 0 "[ . 1 . 2]" 1
412 1 22 ARG HD2 1 23 LEU H 5.780 . 5.780 5.108 4.661 5.440 . 0 0 "[ . 1 . 2]" 1
413 1 22 ARG HD3 1 23 LEU H 5.780 . 5.780 5.490 4.886 5.850 0.070 20 0 "[ . 1 . 2]" 1
414 1 23 LEU H 1 23 LEU HB2 3.710 . 3.710 2.413 2.262 2.520 . 0 0 "[ . 1 . 2]" 1
415 1 23 LEU H 1 23 LEU HB3 3.460 . 3.460 3.565 3.506 3.597 0.137 9 0 "[ . 1 . 2]" 1
416 1 23 LEU H 1 23 LEU MD1 3.660 . 3.660 3.626 3.462 3.745 0.085 7 0 "[ . 1 . 2]" 1
417 1 23 LEU H 1 23 LEU HG 3.900 . 3.900 2.328 2.130 2.591 . 0 0 "[ . 1 . 2]" 1
418 1 23 LEU H 1 24 GLU QG 5.610 . 5.610 4.424 3.813 5.651 0.041 9 0 "[ . 1 . 2]" 1
419 1 23 LEU H 1 25 LYS H 4.620 . 4.620 3.814 3.655 4.061 . 0 0 "[ . 1 . 2]" 1
420 1 23 LEU H 1 26 MET QG 5.610 . 5.610 4.699 4.211 5.049 . 0 0 "[ . 1 . 2]" 1
421 1 23 LEU HA 1 23 LEU MD1 4.180 . 4.180 3.880 3.824 3.939 . 0 0 "[ . 1 . 2]" 1
422 1 23 LEU HA 1 23 LEU MD2 3.890 . 3.890 2.021 1.925 2.172 . 0 0 "[ . 1 . 2]" 1
423 1 23 LEU HA 1 23 LEU HG 4.350 . 4.350 3.115 2.987 3.274 . 0 0 "[ . 1 . 2]" 1
424 1 23 LEU HA 1 26 MET H 4.090 . 4.090 3.279 2.990 3.526 . 0 0 "[ . 1 . 2]" 1
425 1 23 LEU HA 1 26 MET QB 3.150 . 3.150 2.605 2.212 2.960 . 0 0 "[ . 1 . 2]" 1
426 1 23 LEU HA 1 26 MET HG2 4.970 . 4.970 3.999 2.538 5.036 0.066 5 0 "[ . 1 . 2]" 1
427 1 23 LEU HA 1 26 MET HG3 4.970 . 4.970 3.407 2.711 3.795 . 0 0 "[ . 1 . 2]" 1
428 1 23 LEU HA 1 27 CYS H 4.900 . 4.900 4.090 3.778 4.258 . 0 0 "[ . 1 . 2]" 1
429 1 23 LEU HB2 1 23 LEU MD2 3.570 . 3.570 3.248 3.238 3.261 . 0 0 "[ . 1 . 2]" 1
430 1 23 LEU HB2 1 24 GLU H 4.130 . 4.130 2.550 2.258 2.902 . 0 0 "[ . 1 . 2]" 1
431 1 23 LEU HB2 1 24 GLU HA 5.070 . 5.070 4.466 4.272 4.651 . 0 0 "[ . 1 . 2]" 1
432 1 23 LEU HB2 1 26 MET H 5.600 . 5.600 5.501 5.329 5.639 0.039 11 0 "[ . 1 . 2]" 1
433 1 23 LEU HB2 1 27 CYS H 5.780 . 5.780 5.803 5.651 5.896 0.116 1 0 "[ . 1 . 2]" 1
434 1 23 LEU HB3 1 24 GLU H 4.080 . 4.080 3.566 3.335 3.809 . 0 0 "[ . 1 . 2]" 1
435 1 23 LEU HB3 1 25 LYS H 5.340 . 5.340 5.419 5.326 5.585 0.245 18 0 "[ . 1 . 2]" 1
436 1 23 LEU MD1 1 24 GLU H 5.700 . 5.700 4.526 4.321 4.859 . 0 0 "[ . 1 . 2]" 1
437 1 23 LEU MD1 1 36 GLU HA 5.780 . 5.780 4.142 3.615 4.645 . 0 0 "[ . 1 . 2]" 1
438 1 23 LEU MD1 1 38 MET H 5.280 . 5.280 5.179 4.642 5.393 0.113 12 0 "[ . 1 . 2]" 1
439 1 23 LEU MD1 1 38 MET QB 3.940 . 3.940 3.825 3.111 4.038 0.098 15 0 "[ . 1 . 2]" 1
440 1 23 LEU MD1 1 39 ALA H 4.430 . 4.430 3.487 2.869 3.773 . 0 0 "[ . 1 . 2]" 1
441 1 23 LEU MD1 1 39 ALA HA 3.520 . 3.520 2.106 1.772 2.368 . 0 0 "[ . 1 . 2]" 1
442 1 23 LEU MD1 1 39 ALA MB 3.780 . 3.780 1.964 1.805 2.146 . 0 0 "[ . 1 . 2]" 1
443 1 23 LEU MD1 1 40 ARG H 5.780 . 5.780 4.843 4.694 4.976 . 0 0 "[ . 1 . 2]" 1
444 1 23 LEU MD1 1 41 ASN H 5.780 . 5.780 5.387 5.131 5.880 0.100 16 0 "[ . 1 . 2]" 1
445 1 23 LEU MD1 1 42 CYS H 5.390 . 5.390 4.697 4.388 5.322 . 0 0 "[ . 1 . 2]" 1
446 1 23 LEU MD1 1 42 CYS QB 4.260 . 4.260 2.972 2.395 3.368 . 0 0 "[ . 1 . 2]" 1
447 1 23 LEU MD2 1 26 MET H 5.780 . 5.780 4.701 4.351 4.985 . 0 0 "[ . 1 . 2]" 1
448 1 23 LEU MD2 1 27 CYS H 5.780 . 5.780 5.363 4.919 5.662 . 0 0 "[ . 1 . 2]" 1
449 1 23 LEU MD2 1 35 ALA H 5.780 . 5.780 5.115 4.692 5.524 . 0 0 "[ . 1 . 2]" 1
450 1 23 LEU MD2 1 36 GLU HA 4.250 . 4.250 4.224 4.000 4.435 0.185 7 0 "[ . 1 . 2]" 1
451 1 23 LEU MD2 1 37 ARG H 5.780 . 5.780 5.149 4.808 5.446 . 0 0 "[ . 1 . 2]" 1
452 1 23 LEU MD2 1 38 MET H 4.970 . 4.970 3.640 3.361 3.856 . 0 0 "[ . 1 . 2]" 1
453 1 23 LEU MD2 1 38 MET QB 4.880 . 4.880 2.015 1.780 2.244 . 0 0 "[ . 1 . 2]" 1
454 1 23 LEU MD2 1 39 ALA H 4.590 . 4.590 2.897 2.685 3.278 . 0 0 "[ . 1 . 2]" 1
455 1 23 LEU MD2 1 39 ALA HA 4.200 . 4.200 2.992 2.614 3.924 . 0 0 "[ . 1 . 2]" 1
456 1 23 LEU MD2 1 39 ALA MB 3.760 . 3.760 2.947 2.562 3.672 . 0 0 "[ . 1 . 2]" 1
457 1 23 LEU MD2 1 40 ARG H 5.780 . 5.780 4.967 4.751 5.605 . 0 0 "[ . 1 . 2]" 1
458 1 24 GLU H 1 24 GLU QB 3.440 . 3.440 2.414 2.066 2.587 . 0 0 "[ . 1 . 2]" 1
459 1 24 GLU H 1 24 GLU HG2 4.600 . 4.600 3.257 2.373 3.655 . 0 0 "[ . 1 . 2]" 1
460 1 24 GLU H 1 24 GLU QG 3.970 . 3.970 2.425 2.070 3.453 . 0 0 "[ . 1 . 2]" 1
461 1 24 GLU H 1 24 GLU HG3 4.600 . 4.600 2.808 2.088 4.253 . 0 0 "[ . 1 . 2]" 1
462 1 24 GLU H 1 25 LYS H 3.550 . 3.550 2.683 2.561 2.799 . 0 0 "[ . 1 . 2]" 1
463 1 24 GLU H 1 25 LYS HB2 5.780 . 5.780 5.101 4.634 6.206 0.426 18 0 "[ . 1 . 2]" 1
464 1 24 GLU H 1 25 LYS HB3 5.780 . 5.780 4.903 4.546 5.257 . 0 0 "[ . 1 . 2]" 1
465 1 24 GLU H 1 26 MET H 5.710 . 5.710 4.263 4.064 4.505 . 0 0 "[ . 1 . 2]" 1
466 1 24 GLU HA 1 24 GLU HG2 4.360 . 4.360 2.920 2.413 4.262 . 0 0 "[ . 1 . 2]" 1
467 1 24 GLU HA 1 24 GLU QG 3.800 . 3.800 2.697 2.358 3.497 . 0 0 "[ . 1 . 2]" 1
468 1 24 GLU HA 1 24 GLU HG3 4.360 . 4.360 3.355 2.952 3.818 . 0 0 "[ . 1 . 2]" 1
469 1 24 GLU HA 1 26 MET H 5.670 . 5.670 4.591 4.311 4.905 . 0 0 "[ . 1 . 2]" 1
470 1 24 GLU HA 1 27 CYS H 4.340 . 4.340 3.538 3.167 3.937 . 0 0 "[ . 1 . 2]" 1
471 1 24 GLU HA 1 27 CYS HB2 4.200 . 4.200 3.286 2.372 4.069 . 0 0 "[ . 1 . 2]" 1
472 1 24 GLU HA 1 27 CYS HB3 4.970 . 4.970 2.673 1.959 3.925 . 0 0 "[ . 1 . 2]" 1
473 1 24 GLU HA 1 28 LYS H 5.780 . 5.780 4.393 4.041 4.991 . 0 0 "[ . 1 . 2]" 1
474 1 24 GLU QB 1 25 LYS H 3.700 . 3.700 2.872 2.356 3.643 . 0 0 "[ . 1 . 2]" 1
475 1 24 GLU QB 1 28 LYS QE 4.980 . 4.980 2.540 1.845 4.062 . 0 0 "[ . 1 . 2]" 1
476 1 24 GLU QG 1 25 LYS H 4.650 . 4.650 3.873 2.348 4.656 0.006 7 0 "[ . 1 . 2]" 1
477 1 24 GLU QG 1 28 LYS QE 4.320 . 4.320 4.041 3.272 4.538 0.218 10 0 "[ . 1 . 2]" 1
478 1 24 GLU HG2 1 25 LYS H 5.550 . 5.550 4.695 2.536 5.201 . 0 0 "[ . 1 . 2]" 1
479 1 24 GLU HG3 1 25 LYS H 5.550 . 5.550 4.223 2.369 5.362 . 0 0 "[ . 1 . 2]" 1
480 1 25 LYS H 1 25 LYS HB2 3.490 . 3.490 2.618 2.325 3.608 0.118 18 0 "[ . 1 . 2]" 1
481 1 25 LYS H 1 25 LYS HB3 3.490 . 3.490 2.489 2.301 2.742 . 0 0 "[ . 1 . 2]" 1
482 1 25 LYS H 1 25 LYS QD 5.010 . 5.010 4.568 3.987 4.803 . 0 0 "[ . 1 . 2]" 1
483 1 25 LYS H 1 25 LYS QE 5.780 . 5.780 4.821 4.071 5.969 0.189 13 0 "[ . 1 . 2]" 1
484 1 25 LYS H 1 25 LYS HG2 4.970 . 4.970 4.354 2.227 4.640 . 0 0 "[ . 1 . 2]" 1
485 1 25 LYS H 1 25 LYS QG 4.240 . 4.240 3.907 2.170 4.084 . 0 0 "[ . 1 . 2]" 1
486 1 25 LYS H 1 25 LYS HG3 4.970 . 4.970 4.444 3.001 4.617 . 0 0 "[ . 1 . 2]" 1
487 1 25 LYS H 1 26 MET H 3.930 . 3.930 2.580 2.430 2.683 . 0 0 "[ . 1 . 2]" 1
488 1 25 LYS H 1 26 MET HA 5.500 . 5.500 5.238 5.094 5.326 . 0 0 "[ . 1 . 2]" 1
489 1 25 LYS H 1 26 MET HG2 5.780 . 5.780 5.031 4.167 5.954 0.174 11 0 "[ . 1 . 2]" 1
490 1 25 LYS H 1 26 MET QG 5.070 . 5.070 4.339 4.086 4.576 . 0 0 "[ . 1 . 2]" 1
491 1 25 LYS H 1 26 MET HG3 5.780 . 5.780 5.278 4.285 5.914 0.134 13 0 "[ . 1 . 2]" 1
492 1 25 LYS H 1 27 CYS HB2 5.780 . 5.780 5.513 4.854 5.791 0.011 8 0 "[ . 1 . 2]" 1
493 1 25 LYS H 1 28 LYS QE 5.780 . 5.780 4.671 3.697 5.872 0.092 15 0 "[ . 1 . 2]" 1
494 1 25 LYS HA 1 25 LYS QG 3.740 . 3.740 2.658 2.427 3.412 . 0 0 "[ . 1 . 2]" 1
495 1 25 LYS HA 1 27 CYS H 5.190 . 5.190 4.230 4.077 4.366 . 0 0 "[ . 1 . 2]" 1
496 1 25 LYS HA 1 28 LYS H 4.380 . 4.380 3.538 3.107 3.857 . 0 0 "[ . 1 . 2]" 1
497 1 25 LYS HA 1 28 LYS QE 4.600 . 4.600 3.719 2.093 4.799 0.199 17 0 "[ . 1 . 2]" 1
498 1 25 LYS HA 1 29 GLU H 5.780 . 5.780 3.881 2.764 4.705 . 0 0 "[ . 1 . 2]" 1
499 1 25 LYS QB 1 26 MET H 3.800 . 3.800 2.593 2.293 3.472 . 0 0 "[ . 1 . 2]" 1
500 1 25 LYS QB 1 27 CYS H 5.610 . 5.610 4.608 4.416 5.003 . 0 0 "[ . 1 . 2]" 1
501 1 25 LYS QD 1 26 MET H 5.460 . 5.460 4.605 3.267 5.194 . 0 0 "[ . 1 . 2]" 1
502 1 25 LYS QG 1 26 MET H 5.600 . 5.600 3.616 2.166 4.477 . 0 0 "[ . 1 . 2]" 1
503 1 26 MET H 1 26 MET HB2 3.820 . 3.820 2.466 2.357 2.669 . 0 0 "[ . 1 . 2]" 1
504 1 26 MET H 1 26 MET QB 3.070 . 3.070 2.427 2.326 2.609 . 0 0 "[ . 1 . 2]" 1
505 1 26 MET H 1 26 MET HB3 3.820 . 3.820 3.609 3.560 3.675 . 0 0 "[ . 1 . 2]" 1
506 1 26 MET H 1 26 MET HG2 4.330 . 4.330 2.835 2.324 3.664 . 0 0 "[ . 1 . 2]" 1
507 1 26 MET H 1 26 MET QG 3.620 . 3.620 2.372 2.201 2.533 . 0 0 "[ . 1 . 2]" 1
508 1 26 MET H 1 26 MET HG3 4.330 . 4.330 3.165 2.224 3.809 . 0 0 "[ . 1 . 2]" 1
509 1 26 MET H 1 27 CYS H 4.070 . 4.070 2.560 2.378 2.749 . 0 0 "[ . 1 . 2]" 1
510 1 26 MET H 1 27 CYS HB2 5.780 . 5.780 4.886 4.451 5.218 . 0 0 "[ . 1 . 2]" 1
511 1 26 MET H 1 27 CYS HB3 5.780 . 5.780 4.786 4.487 5.897 0.117 19 0 "[ . 1 . 2]" 1
512 1 26 MET H 1 35 ALA MB 5.780 . 5.780 4.013 3.704 4.341 . 0 0 "[ . 1 . 2]" 1
513 1 26 MET HA 1 26 MET HG2 4.300 . 4.300 2.834 2.451 3.423 . 0 0 "[ . 1 . 2]" 1
514 1 26 MET HA 1 26 MET QG 3.730 . 3.730 2.722 2.400 3.196 . 0 0 "[ . 1 . 2]" 1
515 1 26 MET HA 1 26 MET HG3 4.300 . 4.300 3.547 3.003 3.851 . 0 0 "[ . 1 . 2]" 1
516 1 26 MET HA 1 35 ALA MB 5.780 . 5.780 4.437 3.812 4.956 . 0 0 "[ . 1 . 2]" 1
517 1 26 MET QB 1 27 CYS H 4.070 . 4.070 2.794 2.710 2.916 . 0 0 "[ . 1 . 2]" 1
518 1 26 MET QB 1 28 LYS H 5.050 . 5.050 4.821 4.612 4.976 . 0 0 "[ . 1 . 2]" 1
519 1 26 MET QB 1 31 THR H 5.610 . 5.610 4.269 3.423 5.493 . 0 0 "[ . 1 . 2]" 1
520 1 26 MET QB 1 35 ALA H 4.960 . 4.960 3.760 2.787 4.623 . 0 0 "[ . 1 . 2]" 1
521 1 26 MET QB 1 35 ALA MB 4.340 . 4.340 2.362 1.887 2.960 . 0 0 "[ . 1 . 2]" 1
522 1 26 MET HB2 1 27 CYS H 4.690 . 4.690 2.875 2.792 3.024 . 0 0 "[ . 1 . 2]" 1
523 1 26 MET HB2 1 28 LYS H 5.780 . 5.780 5.215 5.043 5.408 . 0 0 "[ . 1 . 2]" 1
524 1 26 MET HB3 1 27 CYS H 4.690 . 4.690 3.808 3.610 4.006 . 0 0 "[ . 1 . 2]" 1
525 1 26 MET HB3 1 28 LYS H 5.780 . 5.780 5.678 5.339 5.890 0.110 11 0 "[ . 1 . 2]" 1
526 1 26 MET ME 1 31 THR H 5.630 . 5.630 4.833 3.575 5.777 0.147 20 0 "[ . 1 . 2]" 1
527 1 26 MET HG2 1 27 CYS H 5.780 . 5.780 4.723 4.184 5.147 . 0 0 "[ . 1 . 2]" 1
528 1 26 MET HG3 1 27 CYS H 5.780 . 5.780 4.851 4.372 5.297 . 0 0 "[ . 1 . 2]" 1
529 1 27 CYS H 1 27 CYS HB2 3.770 . 3.770 2.574 2.381 2.740 . 0 0 "[ . 1 . 2]" 1
530 1 27 CYS H 1 27 CYS HB3 3.960 . 3.960 2.503 2.267 3.575 . 0 0 "[ . 1 . 2]" 1
531 1 27 CYS H 1 28 LYS H 4.170 . 4.170 2.591 2.510 2.668 . 0 0 "[ . 1 . 2]" 1
532 1 27 CYS H 1 28 LYS QB 5.780 . 5.780 4.698 4.462 5.151 . 0 0 "[ . 1 . 2]" 1
533 1 27 CYS H 1 28 LYS QG 5.610 . 5.610 4.219 3.984 4.815 . 0 0 "[ . 1 . 2]" 1
534 1 27 CYS H 1 35 ALA MB 4.640 . 4.640 2.866 2.635 3.242 . 0 0 "[ . 1 . 2]" 1
535 1 27 CYS HA 1 35 ALA MB 4.570 . 4.570 2.745 2.302 3.397 . 0 0 "[ . 1 . 2]" 1
536 1 27 CYS HB2 1 28 LYS H 4.540 . 4.540 3.925 2.876 4.178 . 0 0 "[ . 1 . 2]" 1
537 1 27 CYS HB3 1 28 LYS H 4.180 . 4.180 2.796 2.492 3.758 . 0 0 "[ . 1 . 2]" 1
538 1 27 CYS HB3 1 29 GLU H 5.780 . 5.780 5.195 4.748 5.760 . 0 0 "[ . 1 . 2]" 1
539 1 28 LYS H 1 28 LYS QB 3.280 . 3.280 2.476 2.291 2.884 . 0 0 "[ . 1 . 2]" 1
540 1 28 LYS H 1 28 LYS QD 5.190 . 5.190 3.928 3.126 4.486 . 0 0 "[ . 1 . 2]" 1
541 1 28 LYS H 1 28 LYS HG2 4.860 . 4.860 3.587 2.224 4.171 . 0 0 "[ . 1 . 2]" 1
542 1 28 LYS H 1 28 LYS QG 4.030 . 4.030 2.429 2.136 2.956 . 0 0 "[ . 1 . 2]" 1
543 1 28 LYS H 1 28 LYS HG3 4.860 . 4.860 2.571 2.162 3.799 . 0 0 "[ . 1 . 2]" 1
544 1 28 LYS H 1 29 GLU H 3.550 . 3.550 2.471 2.187 2.746 . 0 0 "[ . 1 . 2]" 1
545 1 28 LYS H 1 29 GLU HG2 5.780 . 5.780 5.419 3.829 5.908 0.128 14 0 "[ . 1 . 2]" 1
546 1 28 LYS H 1 29 GLU HG3 5.780 . 5.780 4.539 4.006 5.811 0.031 12 0 "[ . 1 . 2]" 1
547 1 28 LYS HA 1 28 LYS QG 3.910 . 3.910 2.587 2.375 3.410 . 0 0 "[ . 1 . 2]" 1
548 1 28 LYS QB 1 29 GLU H 3.860 . 3.860 2.508 2.049 3.359 . 0 0 "[ . 1 . 2]" 1
549 1 28 LYS QD 1 29 GLU H 5.780 . 5.780 4.646 3.906 5.651 . 0 0 "[ . 1 . 2]" 1
550 1 28 LYS HG2 1 29 GLU H 5.780 . 5.780 4.839 3.002 5.373 . 0 0 "[ . 1 . 2]" 1
551 1 28 LYS HG3 1 29 GLU H 5.780 . 5.780 4.206 1.995 4.833 . 0 0 "[ . 1 . 2]" 1
552 1 29 GLU H 1 29 GLU HB2 4.150 . 4.150 2.705 2.424 3.672 . 0 0 "[ . 1 . 2]" 1
553 1 29 GLU H 1 29 GLU QB 3.530 . 3.530 2.530 2.390 2.794 . 0 0 "[ . 1 . 2]" 1
554 1 29 GLU H 1 29 GLU HB3 4.150 . 4.150 3.541 2.778 3.743 . 0 0 "[ . 1 . 2]" 1
555 1 29 GLU H 1 29 GLU HG2 4.430 . 4.430 3.350 1.930 4.054 . 0 0 "[ . 1 . 2]" 1
556 1 29 GLU H 1 29 GLU QG 3.860 . 3.860 2.384 1.912 2.736 . 0 0 "[ . 1 . 2]" 1
557 1 29 GLU H 1 29 GLU HG3 4.430 . 4.430 2.672 1.988 3.821 . 0 0 "[ . 1 . 2]" 1
558 1 29 GLU H 1 30 GLY H 3.810 . 3.810 2.733 2.252 3.936 0.126 14 0 "[ . 1 . 2]" 1
559 1 29 GLU HA 1 29 GLU QG 3.590 . 3.590 2.697 2.426 3.520 . 0 0 "[ . 1 . 2]" 1
560 1 29 GLU QB 1 30 GLY H 4.440 . 4.440 3.285 2.052 4.030 . 0 0 "[ . 1 . 2]" 1
561 1 29 GLU HB2 1 30 GLY H 5.120 . 5.120 3.532 2.077 4.501 . 0 0 "[ . 1 . 2]" 1
562 1 29 GLU HB3 1 30 GLY H 5.120 . 5.120 4.091 3.181 4.576 . 0 0 "[ . 1 . 2]" 1
563 1 29 GLU HG2 1 30 GLY H 5.780 . 5.780 4.796 2.976 5.459 . 0 0 "[ . 1 . 2]" 1
564 1 29 GLU HG3 1 30 GLY H 5.780 . 5.780 4.481 2.288 5.212 . 0 0 "[ . 1 . 2]" 1
565 1 30 GLY H 1 31 THR H 4.790 . 4.790 3.701 3.051 4.343 . 0 0 "[ . 1 . 2]" 1
566 1 30 GLY H 1 31 THR HA 5.780 . 5.780 4.700 4.245 5.436 . 0 0 "[ . 1 . 2]" 1
567 1 30 GLY H 1 31 THR MG 5.780 . 5.780 5.142 4.702 5.832 0.052 1 0 "[ . 1 . 2]" 1
568 1 30 GLY QA 1 31 THR H 3.320 . 3.320 2.158 2.105 2.257 . 0 0 "[ . 1 . 2]" 1
569 1 30 GLY QA 1 31 THR MG 4.530 . 4.530 3.443 3.276 3.762 . 0 0 "[ . 1 . 2]" 1
570 1 30 GLY QA 1 32 SER H 5.780 . 5.780 5.711 5.246 5.922 0.142 6 0 "[ . 1 . 2]" 1
571 1 30 GLY QA 1 34 ASP QB 5.080 . 5.080 4.302 3.305 5.057 . 0 0 "[ . 1 . 2]" 1
572 1 31 THR H 1 31 THR HB 4.320 . 4.320 3.846 3.635 3.928 . 0 0 "[ . 1 . 2]" 1
573 1 31 THR H 1 31 THR MG 3.810 . 3.810 3.094 2.523 3.471 . 0 0 "[ . 1 . 2]" 1
574 1 31 THR H 1 32 SER H 4.980 . 4.980 4.381 4.255 4.543 . 0 0 "[ . 1 . 2]" 1
575 1 31 THR H 1 34 ASP QB 3.520 . 3.520 3.159 2.238 3.653 0.133 18 0 "[ . 1 . 2]" 1
576 1 31 THR HA 1 31 THR MG 3.600 . 3.600 2.405 2.323 2.518 . 0 0 "[ . 1 . 2]" 1
577 1 31 THR HA 1 32 SER H 3.330 . 3.330 2.260 2.139 2.450 . 0 0 "[ . 1 . 2]" 1
578 1 31 THR HA 1 33 GLU H 5.530 . 5.530 3.955 3.554 4.388 . 0 0 "[ . 1 . 2]" 1
579 1 31 THR HB 1 32 SER H 3.890 . 3.890 2.857 2.213 3.577 . 0 0 "[ . 1 . 2]" 1
580 1 31 THR HB 1 33 GLU H 4.320 . 4.320 2.582 2.099 3.134 . 0 0 "[ . 1 . 2]" 1
581 1 31 THR MG 1 32 SER H 4.460 . 4.460 3.800 3.563 3.987 . 0 0 "[ . 1 . 2]" 1
582 1 31 THR MG 1 33 GLU H 4.890 . 4.890 4.170 3.839 4.624 . 0 0 "[ . 1 . 2]" 1
583 1 31 THR MG 1 34 ASP H 5.780 . 5.780 4.345 3.995 4.815 . 0 0 "[ . 1 . 2]" 1
584 1 32 SER H 1 32 SER HB2 4.230 . 4.230 2.939 2.538 3.610 . 0 0 "[ . 1 . 2]" 1
585 1 32 SER H 1 32 SER QB 3.690 . 3.690 2.518 2.264 2.643 . 0 0 "[ . 1 . 2]" 1
586 1 32 SER H 1 32 SER HB3 4.230 . 4.230 3.100 2.541 3.600 . 0 0 "[ . 1 . 2]" 1
587 1 32 SER H 1 33 GLU QB 5.780 . 5.780 4.716 4.506 4.932 . 0 0 "[ . 1 . 2]" 1
588 1 32 SER H 1 33 GLU QG 5.780 . 5.780 4.000 3.518 4.982 . 0 0 "[ . 1 . 2]" 1
589 1 32 SER H 1 34 ASP H 5.780 . 5.780 4.370 4.146 4.692 . 0 0 "[ . 1 . 2]" 1
590 1 32 SER H 1 35 ALA H 5.780 . 5.780 4.922 4.620 5.425 . 0 0 "[ . 1 . 2]" 1
591 1 32 SER H 1 35 ALA MB 5.320 . 5.320 4.706 4.244 5.333 0.013 12 0 "[ . 1 . 2]" 1
592 1 32 SER HA 1 35 ALA H 4.240 . 4.240 3.334 3.045 3.773 . 0 0 "[ . 1 . 2]" 1
593 1 32 SER HA 1 35 ALA MB 3.760 . 3.760 2.480 1.927 3.197 . 0 0 "[ . 1 . 2]" 1
594 1 32 SER HA 1 36 GLU H 5.780 . 5.780 4.088 3.840 4.694 . 0 0 "[ . 1 . 2]" 1
595 1 32 SER QB 1 33 GLU H 4.090 . 4.090 3.100 2.453 3.657 . 0 0 "[ . 1 . 2]" 1
596 1 32 SER QB 1 34 ASP H 5.610 . 5.610 5.041 4.692 5.379 . 0 0 "[ . 1 . 2]" 1
597 1 32 SER QB 1 35 ALA MB 5.520 . 5.520 3.828 3.253 4.628 . 0 0 "[ . 1 . 2]" 1
598 1 32 SER HB2 1 33 GLU H 4.760 . 4.760 3.424 2.490 4.152 . 0 0 "[ . 1 . 2]" 1
599 1 32 SER HB3 1 33 GLU H 4.760 . 4.760 3.890 2.865 4.216 . 0 0 "[ . 1 . 2]" 1
600 1 33 GLU H 1 33 GLU QB 3.480 . 3.480 2.500 2.430 2.693 . 0 0 "[ . 1 . 2]" 1
601 1 33 GLU H 1 33 GLU QG 3.870 . 3.870 2.194 1.867 3.035 . 0 0 "[ . 1 . 2]" 1
602 1 33 GLU H 1 34 ASP H 3.940 . 3.940 2.710 2.579 2.864 . 0 0 "[ . 1 . 2]" 1
603 1 33 GLU H 1 34 ASP QB 5.780 . 5.780 4.621 4.236 4.949 . 0 0 "[ . 1 . 2]" 1
604 1 33 GLU H 1 35 ALA MB 5.780 . 5.780 4.705 4.321 5.216 . 0 0 "[ . 1 . 2]" 1
605 1 33 GLU HA 1 33 GLU QG 3.390 . 3.390 2.633 2.310 3.389 . 0 0 "[ . 1 . 2]" 1
606 1 33 GLU HA 1 35 ALA H 5.780 . 5.780 4.424 4.063 4.699 . 0 0 "[ . 1 . 2]" 1
607 1 33 GLU HA 1 36 GLU H 4.550 . 4.550 3.798 3.166 4.153 . 0 0 "[ . 1 . 2]" 1
608 1 33 GLU HA 1 37 ARG H 5.390 . 5.390 4.344 3.937 5.278 . 0 0 "[ . 1 . 2]" 1
609 1 33 GLU QB 1 34 ASP H 3.820 . 3.820 2.696 2.228 3.575 . 0 0 "[ . 1 . 2]" 1
610 1 33 GLU QB 1 34 ASP QB 5.000 . 5.000 4.291 3.474 4.862 . 0 0 "[ . 1 . 2]" 1
611 1 33 GLU QG 1 34 ASP H 4.820 . 4.820 3.907 2.252 4.453 . 0 0 "[ . 1 . 2]" 1
612 1 34 ASP H 1 34 ASP QB 3.300 . 3.300 2.353 2.200 2.588 . 0 0 "[ . 1 . 2]" 1
613 1 34 ASP H 1 35 ALA MB 5.630 . 5.630 4.205 4.047 4.363 . 0 0 "[ . 1 . 2]" 1
614 1 34 ASP HA 1 36 GLU H 5.050 . 5.050 4.634 4.324 4.885 . 0 0 "[ . 1 . 2]" 1
615 1 34 ASP HA 1 37 ARG H 4.830 . 4.830 3.636 3.157 4.258 . 0 0 "[ . 1 . 2]" 1
616 1 34 ASP HA 1 37 ARG QB 4.480 . 4.480 2.611 1.955 3.590 . 0 0 "[ . 1 . 2]" 1
617 1 34 ASP HA 1 38 MET H 5.780 . 5.780 4.346 3.971 5.036 . 0 0 "[ . 1 . 2]" 1
618 1 34 ASP QB 1 35 ALA H 3.940 . 3.940 2.714 2.323 3.038 . 0 0 "[ . 1 . 2]" 1
619 1 34 ASP QB 1 36 GLU H 5.400 . 5.400 4.959 4.555 5.197 . 0 0 "[ . 1 . 2]" 1
620 1 34 ASP QB 1 37 ARG H 5.300 . 5.300 5.030 4.801 5.339 0.039 11 0 "[ . 1 . 2]" 1
621 1 34 ASP QB 1 37 ARG QB 4.870 . 4.870 4.226 3.582 4.788 . 0 0 "[ . 1 . 2]" 1
622 1 35 ALA H 1 35 ALA MB 3.240 . 3.240 2.231 2.198 2.266 . 0 0 "[ . 1 . 2]" 1
623 1 35 ALA H 1 36 GLU H 3.890 . 3.890 2.726 2.557 2.847 . 0 0 "[ . 1 . 2]" 1
624 1 35 ALA H 1 36 GLU QB 5.330 . 5.330 4.991 4.735 5.132 . 0 0 "[ . 1 . 2]" 1
625 1 35 ALA H 1 36 GLU QG 5.610 . 5.610 4.017 3.844 4.263 . 0 0 "[ . 1 . 2]" 1
626 1 35 ALA H 1 37 ARG H 4.820 . 4.820 3.998 3.797 4.234 . 0 0 "[ . 1 . 2]" 1
627 1 35 ALA H 1 37 ARG QB 5.780 . 5.780 4.670 4.202 5.296 . 0 0 "[ . 1 . 2]" 1
628 1 35 ALA HA 1 38 MET H 4.470 . 4.470 3.515 3.169 3.936 . 0 0 "[ . 1 . 2]" 1
629 1 35 ALA MB 1 36 GLU H 3.480 . 3.480 2.524 2.392 2.863 . 0 0 "[ . 1 . 2]" 1
630 1 35 ALA MB 1 36 GLU HA 5.780 . 5.780 3.918 3.756 4.006 . 0 0 "[ . 1 . 2]" 1
631 1 35 ALA MB 1 37 ARG H 5.350 . 5.350 4.436 4.333 4.609 . 0 0 "[ . 1 . 2]" 1
632 1 35 ALA MB 1 38 MET H 5.450 . 5.450 4.633 4.422 4.937 . 0 0 "[ . 1 . 2]" 1
633 1 36 GLU H 1 36 GLU QB 3.150 . 3.150 2.576 2.479 2.642 . 0 0 "[ . 1 . 2]" 1
634 1 36 GLU H 1 36 GLU HG2 4.240 . 4.240 2.250 2.041 3.012 . 0 0 "[ . 1 . 2]" 1
635 1 36 GLU H 1 36 GLU HG3 4.240 . 4.240 3.236 2.031 3.605 . 0 0 "[ . 1 . 2]" 1
636 1 36 GLU H 1 37 ARG H 3.450 . 3.450 2.573 2.450 2.694 . 0 0 "[ . 1 . 2]" 1
637 1 36 GLU HA 1 36 GLU HG2 4.340 . 4.340 3.832 3.737 4.202 . 0 0 "[ . 1 . 2]" 1
638 1 36 GLU HA 1 36 GLU QG 3.720 . 3.720 3.381 3.362 3.437 . 0 0 "[ . 1 . 2]" 1
639 1 36 GLU HA 1 36 GLU HG3 4.340 . 4.340 3.770 3.646 3.839 . 0 0 "[ . 1 . 2]" 1
640 1 36 GLU HA 1 38 MET H 5.500 . 5.500 4.312 4.048 4.584 . 0 0 "[ . 1 . 2]" 1
641 1 36 GLU HA 1 39 ALA H 4.830 . 4.830 3.084 2.897 3.393 . 0 0 "[ . 1 . 2]" 1
642 1 36 GLU HA 1 39 ALA MB 3.780 . 3.780 2.184 1.999 2.521 . 0 0 "[ . 1 . 2]" 1
643 1 36 GLU QB 1 37 ARG H 3.650 . 3.650 3.569 3.495 3.625 . 0 0 "[ . 1 . 2]" 1
644 1 36 GLU QG 1 37 ARG H 5.050 . 5.050 2.335 1.981 2.472 . 0 0 "[ . 1 . 2]" 1
645 1 36 GLU HG2 1 38 MET H 5.780 . 5.780 5.381 4.926 6.136 0.356 5 0 "[ . 1 . 2]" 1
646 1 36 GLU HG3 1 38 MET H 5.780 . 5.780 5.082 4.503 5.409 . 0 0 "[ . 1 . 2]" 1
647 1 37 ARG H 1 37 ARG QB 3.280 . 3.280 2.296 2.138 2.585 . 0 0 "[ . 1 . 2]" 1
648 1 37 ARG H 1 37 ARG QD 5.180 . 5.180 4.240 2.903 4.844 . 0 0 "[ . 1 . 2]" 1
649 1 37 ARG H 1 37 ARG HG2 4.850 . 4.850 4.122 2.294 4.647 . 0 0 "[ . 1 . 2]" 1
650 1 37 ARG H 1 37 ARG HG3 4.850 . 4.850 3.934 2.165 4.580 . 0 0 "[ . 1 . 2]" 1
651 1 37 ARG H 1 38 MET H 3.730 . 3.730 2.690 2.511 2.837 . 0 0 "[ . 1 . 2]" 1
652 1 37 ARG H 1 38 MET QG 5.610 . 5.610 4.465 4.033 4.796 . 0 0 "[ . 1 . 2]" 1
653 1 37 ARG H 1 39 ALA H 5.230 . 5.230 3.838 3.719 4.001 . 0 0 "[ . 1 . 2]" 1
654 1 37 ARG H 1 39 ALA MB 5.780 . 5.780 4.476 4.359 4.601 . 0 0 "[ . 1 . 2]" 1
655 1 37 ARG HA 1 37 ARG QD 4.420 . 4.420 3.782 2.129 4.329 . 0 0 "[ . 1 . 2]" 1
656 1 37 ARG HA 1 37 ARG QG 3.770 . 3.770 2.595 2.390 3.216 . 0 0 "[ . 1 . 2]" 1
657 1 37 ARG HA 1 39 ALA MB 5.020 . 5.020 4.738 4.379 5.017 . 0 0 "[ . 1 . 2]" 1
658 1 37 ARG HA 1 40 ARG H 4.330 . 4.330 3.731 3.028 4.264 . 0 0 "[ . 1 . 2]" 1
659 1 37 ARG HA 1 40 ARG QD 4.450 . 4.450 2.931 2.074 4.010 . 0 0 "[ . 1 . 2]" 1
660 1 37 ARG HA 1 40 ARG QG 4.410 . 4.410 2.605 2.144 3.263 . 0 0 "[ . 1 . 2]" 1
661 1 37 ARG HA 1 41 ASN H 5.710 . 5.710 4.997 4.408 5.732 0.022 6 0 "[ . 1 . 2]" 1
662 1 37 ARG QB 1 38 MET H 3.410 . 3.410 2.560 2.294 2.851 . 0 0 "[ . 1 . 2]" 1
663 1 37 ARG QB 1 39 ALA H 5.390 . 5.390 4.535 4.333 4.857 . 0 0 "[ . 1 . 2]" 1
664 1 37 ARG QB 1 41 ASN HD21 5.780 . 5.780 4.553 3.233 5.875 0.095 6 0 "[ . 1 . 2]" 1
665 1 37 ARG QB 1 41 ASN HD22 5.780 . 5.780 4.685 3.650 5.702 . 0 0 "[ . 1 . 2]" 1
666 1 37 ARG QD 1 38 MET H 5.590 . 5.590 4.586 3.952 5.510 . 0 0 "[ . 1 . 2]" 1
667 1 37 ARG QD 1 41 ASN HD21 5.780 . 5.780 5.270 2.520 5.937 0.157 13 0 "[ . 1 . 2]" 1
668 1 37 ARG QG 1 38 MET H 5.070 . 5.070 3.840 3.218 4.632 . 0 0 "[ . 1 . 2]" 1
669 1 37 ARG QG 1 41 ASN HD21 5.610 . 5.610 4.212 3.035 5.722 0.112 16 0 "[ . 1 . 2]" 1
670 1 37 ARG HG2 1 38 MET H 5.780 . 5.780 4.274 3.298 5.278 . 0 0 "[ . 1 . 2]" 1
671 1 37 ARG HG3 1 38 MET H 5.780 . 5.780 4.624 3.345 5.127 . 0 0 "[ . 1 . 2]" 1
672 1 38 MET H 1 38 MET QB 3.310 . 3.310 2.442 2.355 2.614 . 0 0 "[ . 1 . 2]" 1
673 1 38 MET H 1 38 MET ME 3.950 . 3.950 3.491 2.975 4.292 0.342 11 0 "[ . 1 . 2]" 1
674 1 38 MET H 1 38 MET HG2 4.360 . 4.360 2.442 2.126 2.695 . 0 0 "[ . 1 . 2]" 1
675 1 38 MET H 1 38 MET HG3 4.360 . 4.360 3.743 3.614 3.918 . 0 0 "[ . 1 . 2]" 1
676 1 38 MET H 1 39 ALA H 3.850 . 3.850 2.507 2.388 2.683 . 0 0 "[ . 1 . 2]" 1
677 1 38 MET H 1 39 ALA MB 5.720 . 5.720 4.194 4.063 4.340 . 0 0 "[ . 1 . 2]" 1
678 1 38 MET H 1 40 ARG QG 5.610 . 5.610 4.643 4.293 5.531 . 0 0 "[ . 1 . 2]" 1
679 1 38 MET HA 1 38 MET ME 4.210 . 4.210 2.034 1.729 2.503 . 0 0 "[ . 1 . 2]" 1
680 1 38 MET HA 1 38 MET QG 3.860 . 3.860 2.966 2.855 3.187 . 0 0 "[ . 1 . 2]" 1
681 1 38 MET HA 1 40 ARG H 5.020 . 5.020 4.354 4.086 4.633 . 0 0 "[ . 1 . 2]" 1
682 1 38 MET HA 1 41 ASN QB 4.890 . 4.890 2.766 1.782 4.647 . 0 0 "[ . 1 . 2]" 1
683 1 38 MET HA 1 41 ASN HD21 4.850 . 4.850 3.109 1.726 4.366 . 0 0 "[ . 1 . 2]" 1
684 1 38 MET HA 1 41 ASN HD22 5.310 . 5.310 3.955 1.694 5.383 0.073 2 0 "[ . 1 . 2]" 1
685 1 38 MET HA 1 42 CYS H 5.780 . 5.780 4.462 3.977 5.198 . 0 0 "[ . 1 . 2]" 1
686 1 38 MET QB 1 39 ALA H 3.520 . 3.520 2.967 2.656 3.139 . 0 0 "[ . 1 . 2]" 1
687 1 38 MET QB 1 40 ARG H 5.500 . 5.500 4.993 4.678 5.141 . 0 0 "[ . 1 . 2]" 1
688 1 38 MET QB 1 41 ASN H 5.780 . 5.780 4.672 4.438 4.969 . 0 0 "[ . 1 . 2]" 1
689 1 38 MET QB 1 42 CYS H 5.480 . 5.480 4.936 4.596 5.432 . 0 0 "[ . 1 . 2]" 1
690 1 38 MET QB 1 42 CYS QB 5.610 . 5.610 4.209 3.381 5.139 . 0 0 "[ . 1 . 2]" 1
691 1 38 MET ME 1 41 ASN H 5.780 . 5.780 4.512 3.994 4.918 . 0 0 "[ . 1 . 2]" 1
692 1 38 MET ME 1 41 ASN HD21 5.780 . 5.780 3.134 1.735 5.076 . 0 0 "[ . 1 . 2]" 1
693 1 38 MET ME 1 41 ASN HD22 5.780 . 5.780 3.363 1.669 5.005 . 0 0 "[ . 1 . 2]" 1
694 1 38 MET QG 1 39 ALA H 5.000 . 5.000 4.290 4.071 4.444 . 0 0 "[ . 1 . 2]" 1
695 1 38 MET HG2 1 39 ALA H 5.670 . 5.670 4.541 4.276 4.716 . 0 0 "[ . 1 . 2]" 1
696 1 38 MET HG3 1 39 ALA H 5.670 . 5.670 5.280 4.995 5.461 . 0 0 "[ . 1 . 2]" 1
697 1 39 ALA H 1 39 ALA MB 3.260 . 3.260 2.253 2.213 2.272 . 0 0 "[ . 1 . 2]" 1
698 1 39 ALA H 1 40 ARG H 3.500 . 3.500 2.662 2.498 2.825 . 0 0 "[ . 1 . 2]" 1
699 1 39 ALA H 1 40 ARG QB 5.780 . 5.780 4.899 4.558 5.287 . 0 0 "[ . 1 . 2]" 1
700 1 39 ALA H 1 40 ARG QD 5.780 . 5.780 5.591 5.011 5.882 0.102 8 0 "[ . 1 . 2]" 1
701 1 39 ALA H 1 40 ARG QG 5.610 . 5.610 3.948 3.720 4.325 . 0 0 "[ . 1 . 2]" 1
702 1 39 ALA H 1 42 CYS QB 5.610 . 5.610 4.685 4.084 5.572 . 0 0 "[ . 1 . 2]" 1
703 1 39 ALA HA 1 41 ASN H 5.780 . 5.780 4.001 3.687 4.428 . 0 0 "[ . 1 . 2]" 1
704 1 39 ALA HA 1 42 CYS H 4.880 . 4.880 3.461 3.158 3.826 . 0 0 "[ . 1 . 2]" 1
705 1 39 ALA HA 1 42 CYS HB2 4.800 . 4.800 3.097 2.464 4.156 . 0 0 "[ . 1 . 2]" 1
706 1 39 ALA HA 1 42 CYS QB 4.140 . 4.140 2.632 2.261 3.427 . 0 0 "[ . 1 . 2]" 1
707 1 39 ALA HA 1 42 CYS HB3 4.800 . 4.800 2.950 2.399 3.857 . 0 0 "[ . 1 . 2]" 1
708 1 39 ALA MB 1 40 ARG H 3.640 . 3.640 2.505 2.403 2.613 . 0 0 "[ . 1 . 2]" 1
709 1 39 ALA MB 1 40 ARG HA 5.780 . 5.780 3.926 3.846 4.008 . 0 0 "[ . 1 . 2]" 1
710 1 39 ALA MB 1 41 ASN H 4.960 . 4.960 4.295 4.122 4.521 . 0 0 "[ . 1 . 2]" 1
711 1 39 ALA MB 1 42 CYS H 5.550 . 5.550 4.530 4.310 4.793 . 0 0 "[ . 1 . 2]" 1
712 1 40 ARG H 1 40 ARG QB 3.450 . 3.450 2.587 2.425 2.827 . 0 0 "[ . 1 . 2]" 1
713 1 40 ARG H 1 40 ARG QD 5.090 . 5.090 3.860 3.173 4.175 . 0 0 "[ . 1 . 2]" 1
714 1 40 ARG H 1 40 ARG HG2 4.330 . 4.330 2.434 1.884 3.599 . 0 0 "[ . 1 . 2]" 1
715 1 40 ARG H 1 40 ARG QG 3.700 . 3.700 2.089 1.868 2.331 . 0 0 "[ . 1 . 2]" 1
716 1 40 ARG H 1 40 ARG HG3 4.330 . 4.330 2.996 1.957 3.569 . 0 0 "[ . 1 . 2]" 1
717 1 40 ARG H 1 41 ASN H 4.050 . 4.050 2.606 2.417 2.815 . 0 0 "[ . 1 . 2]" 1
718 1 40 ARG H 1 41 ASN QB 5.610 . 5.610 4.647 4.357 5.164 . 0 0 "[ . 1 . 2]" 1
719 1 40 ARG HA 1 40 ARG QD 4.490 . 4.490 4.349 3.738 4.631 0.141 6 0 "[ . 1 . 2]" 1
720 1 40 ARG HA 1 40 ARG QG 3.830 . 3.830 3.184 2.478 3.502 . 0 0 "[ . 1 . 2]" 1
721 1 40 ARG HA 1 42 CYS H 5.610 . 5.610 3.964 3.582 4.335 . 0 0 "[ . 1 . 2]" 1
722 1 40 ARG HA 1 43 GLU H 5.780 . 5.780 4.317 3.733 5.177 . 0 0 "[ . 1 . 2]" 1
723 1 40 ARG QB 1 41 ASN H 4.180 . 4.180 3.580 2.597 4.037 . 0 0 "[ . 1 . 2]" 1
724 1 40 ARG QB 1 41 ASN HD21 5.780 . 5.780 4.394 2.452 6.023 0.243 17 0 "[ . 1 . 2]" 1
725 1 40 ARG QB 1 41 ASN HD22 5.780 . 5.780 4.986 3.578 5.922 0.142 11 0 "[ . 1 . 2]" 1
726 1 40 ARG QD 1 41 ASN H 5.780 . 5.780 4.898 3.423 5.519 . 0 0 "[ . 1 . 2]" 1
727 1 40 ARG QD 1 41 ASN HD21 5.780 . 5.780 4.535 2.178 5.913 0.133 19 0 "[ . 1 . 2]" 1
728 1 40 ARG HG2 1 41 ASN H 5.680 . 5.680 3.810 2.717 5.398 . 0 0 "[ . 1 . 2]" 1
729 1 40 ARG HG3 1 41 ASN H 5.680 . 5.680 3.599 2.373 4.772 . 0 0 "[ . 1 . 2]" 1
730 1 41 ASN H 1 41 ASN HB2 4.280 . 4.280 2.744 2.277 3.968 . 0 0 "[ . 1 . 2]" 1
731 1 41 ASN H 1 41 ASN QB 3.560 . 3.560 2.567 2.252 3.225 . 0 0 "[ . 1 . 2]" 1
732 1 41 ASN H 1 41 ASN HB3 4.280 . 4.280 3.598 3.220 3.821 . 0 0 "[ . 1 . 2]" 1
733 1 41 ASN H 1 42 CYS HB2 5.780 . 5.780 4.476 3.904 5.089 . 0 0 "[ . 1 . 2]" 1
734 1 41 ASN H 1 42 CYS HB3 5.780 . 5.780 4.446 3.893 5.008 . 0 0 "[ . 1 . 2]" 1
735 1 41 ASN QB 1 42 CYS H 4.370 . 4.370 3.382 2.898 4.056 . 0 0 "[ . 1 . 2]" 1
736 1 41 ASN HB2 1 42 CYS H 5.130 . 5.130 3.608 3.012 4.533 . 0 0 "[ . 1 . 2]" 1
737 1 41 ASN HB3 1 42 CYS H 5.130 . 5.130 4.141 3.767 4.637 . 0 0 "[ . 1 . 2]" 1
738 1 42 CYS H 1 42 CYS HB2 3.730 . 3.730 2.714 2.414 2.996 . 0 0 "[ . 1 . 2]" 1
739 1 42 CYS H 1 42 CYS HB3 3.730 . 3.730 2.495 2.356 2.631 . 0 0 "[ . 1 . 2]" 1
740 1 42 CYS H 1 43 GLU H 4.180 . 4.180 2.697 2.308 3.078 . 0 0 "[ . 1 . 2]" 1
741 1 42 CYS QB 1 43 GLU H 4.300 . 4.300 2.380 1.820 3.813 . 0 0 "[ . 1 . 2]" 1
742 1 42 CYS QB 1 44 SER H 5.070 . 5.070 3.945 2.839 4.758 . 0 0 "[ . 1 . 2]" 1
743 1 42 CYS HB2 1 43 GLU H 5.050 . 5.050 3.786 3.418 4.598 . 0 0 "[ . 1 . 2]" 1
744 1 42 CYS HB2 1 44 SER H 5.780 . 5.780 5.507 4.487 6.063 0.283 13 0 "[ . 1 . 2]" 1
745 1 42 CYS HB3 1 43 GLU H 5.050 . 5.050 2.416 1.827 4.072 . 0 0 "[ . 1 . 2]" 1
746 1 42 CYS HB3 1 44 SER H 5.780 . 5.780 4.053 2.871 5.019 . 0 0 "[ . 1 . 2]" 1
747 1 43 GLU H 1 43 GLU HB3 3.980 . 3.980 3.482 2.484 4.084 0.104 9 0 "[ . 1 . 2]" 1
748 1 43 GLU H 1 43 GLU HG2 4.790 . 4.790 3.933 1.985 4.872 0.082 17 0 "[ . 1 . 2]" 1
749 1 43 GLU H 1 43 GLU HG3 4.790 . 4.790 3.937 2.449 4.906 0.116 20 0 "[ . 1 . 2]" 1
750 1 43 GLU H 1 44 SER H 4.200 . 4.200 2.399 1.587 3.998 . 0 0 "[ . 1 . 2]" 1
751 1 43 GLU HA 1 43 GLU QG 3.790 . 3.790 2.816 2.453 3.553 . 0 0 "[ . 1 . 2]" 1
752 1 43 GLU HB2 1 44 SER H 4.780 . 4.780 3.425 2.003 4.538 . 0 0 "[ . 1 . 2]" 1
753 1 43 GLU HB3 1 44 SER H 4.830 . 4.830 3.396 2.047 4.611 . 0 0 "[ . 1 . 2]" 1
754 1 43 GLU HG2 1 44 SER H 5.780 . 5.780 4.164 2.173 5.347 . 0 0 "[ . 1 . 2]" 1
755 1 43 GLU HG3 1 44 SER H 5.780 . 5.780 4.373 2.844 5.231 . 0 0 "[ . 1 . 2]" 1
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