NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621486 |
5t8a   |
30172 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5t8a
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 515
_Distance_constraint_stats_list.Viol_count 1263
_Distance_constraint_stats_list.Viol_total 4974.450
_Distance_constraint_stats_list.Viol_max 1.139
_Distance_constraint_stats_list.Viol_rms 0.0977
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0241
_Distance_constraint_stats_list.Viol_average_violations_only 0.1969
_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 LEU 5.455 0.500 10 1 "[ . + . 2]"
1 3 LYS 2.212 0.393 20 0 "[ . 1 . 2]"
1 4 CYS 10.435 0.413 4 0 "[ . 1 . 2]"
1 5 ASN 0.905 0.132 18 0 "[ . 1 . 2]"
1 6 LYS 0.085 0.019 20 0 "[ . 1 . 2]"
1 7 LEU 5.244 0.293 16 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.628 0.218 4 0 "[ . 1 . 2]"
1 10 ILE 0.185 0.080 7 0 "[ . 1 . 2]"
1 11 ALA 0.411 0.218 4 0 "[ . 1 . 2]"
1 12 TYR 1.377 0.393 20 0 "[ . 1 . 2]"
1 13 LYS 9.799 1.110 20 5 "[ . -1 ** . *+]"
1 14 THR 15.901 0.545 17 9 "[* **.*-* 1 .*+* 2]"
1 15 CYS 11.031 0.545 17 10 "[* **.*** - .*+* 2]"
1 16 PRO 5.309 0.468 4 0 "[ . 1 . 2]"
1 17 GLU 3.787 0.233 12 0 "[ . 1 . 2]"
1 18 GLY 3.773 0.233 12 0 "[ . 1 . 2]"
1 19 LYS 14.077 0.333 8 0 "[ . 1 . 2]"
1 20 ASN 2.031 0.415 17 0 "[ . 1 . 2]"
1 21 LEU 5.673 0.261 14 0 "[ . 1 . 2]"
1 22 CYS 1.375 0.137 20 0 "[ . 1 . 2]"
1 23 TYR 2.011 0.109 20 0 "[ . 1 . 2]"
1 24 LYS 26.622 0.534 20 3 "[- . 1 * . +]"
1 25 MET 3.476 0.259 1 0 "[ . 1 . 2]"
1 26 PHE 15.604 0.891 19 20 [******-***********+*]
1 27 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 MET 11.660 0.566 19 10 "[* . -** ** ** +*]"
1 29 SER 0.613 0.034 13 0 "[ . 1 . 2]"
1 30 ASP 2.348 0.122 19 0 "[ . 1 . 2]"
1 31 LEU 16.987 0.566 19 10 "[* . -** ** ** +*]"
1 32 THR 2.191 0.125 5 0 "[ . 1 . 2]"
1 33 ILE 2.354 0.130 9 0 "[ . 1 . 2]"
1 34 PRO 20.070 0.473 13 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LYS 43.448 1.110 20 20 [*******************+]
1 37 ARG 14.521 0.522 13 2 "[ . 1 + . -]"
1 38 GLY 0.042 0.025 5 0 "[ . 1 . 2]"
1 39 CYS 11.242 0.631 9 8 "[ -* *+1 **** 2]"
1 40 ILE 26.159 0.631 9 8 "[ -* *+1 **** 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 8.499 0.473 2 0 "[ . 1 . 2]"
1 43 CYS 4.092 0.482 12 0 "[ . 1 . 2]"
1 44 PRO 6.670 0.364 12 0 "[ . 1 . 2]"
1 45 LYS 6.670 0.364 12 0 "[ . 1 . 2]"
1 46 ASN 0.008 0.007 1 0 "[ . 1 . 2]"
1 47 SER 31.231 1.139 11 20 [-*********+*********]
1 48 LEU 3.422 0.103 10 0 "[ . 1 . 2]"
1 49 LEU 25.414 1.139 11 20 [-*********+*********]
1 50 VAL 9.131 0.419 4 0 "[ . 1 . 2]"
1 51 LYS 5.711 0.294 14 0 "[ . 1 . 2]"
1 52 TYR 5.711 0.294 14 0 "[ . 1 . 2]"
1 53 VAL 18.164 0.534 20 3 "[- . 1 * . +]"
1 54 CYS 4.702 0.482 12 0 "[ . 1 . 2]"
1 55 CYS 0.951 0.072 10 0 "[ . 1 . 2]"
1 56 ASN 3.901 0.137 20 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 9.228 0.478 13 0 "[ . 1 . 2]"
1 59 ARG 10.510 0.478 13 0 "[ . 1 . 2]"
1 60 CYS 3.418 0.170 13 0 "[ . 1 . 2]"
1 61 ASN 7.833 0.267 10 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 5 ASN H 1 61 ASN H . . 3.860 3.885 3.748 3.992 0.132 18 0 "[ . 1 . 2]" 1
2 1 3 LYS H 1 58 ASP HA . . 3.450 3.409 3.141 3.541 0.091 13 0 "[ . 1 . 2]" 1
3 1 2 LEU H 1 15 CYS H . . 3.920 3.652 3.364 3.960 0.040 10 0 "[ . 1 . 2]" 1
4 1 3 LYS HA 1 15 CYS H . . 3.170 3.159 2.972 3.291 0.121 13 0 "[ . 1 . 2]" 1
5 1 4 CYS HA 1 60 CYS H . . 3.980 4.048 3.855 4.150 0.170 13 0 "[ . 1 . 2]" 1
6 1 23 TYR H 1 38 GLY H . . 2.990 2.927 2.870 3.015 0.025 5 0 "[ . 1 . 2]" 1
7 1 47 SER H 1 50 VAL H . . 3.450 3.828 3.776 3.869 0.419 4 0 "[ . 1 . 2]" 1
8 1 4 CYS H 1 13 LYS H . . 3.450 3.096 2.955 3.337 . 0 0 "[ . 1 . 2]" 1
9 1 21 LEU H 1 40 ILE H . . 3.140 3.326 3.219 3.401 0.261 14 0 "[ . 1 . 2]" 1
10 1 22 CYS HA 1 40 ILE H . . 3.640 3.470 3.275 3.678 0.038 10 0 "[ . 1 . 2]" 1
11 1 39 CYS HA 1 40 ILE H . . 2.590 2.389 2.384 2.397 . 0 0 "[ . 1 . 2]" 1
12 1 17 GLU H 1 17 GLU HA . . 2.860 2.746 2.739 2.752 . 0 0 "[ . 1 . 2]" 1
13 1 16 PRO HA 1 17 GLU H . . 2.460 2.323 2.306 2.339 . 0 0 "[ . 1 . 2]" 1
14 1 4 CYS H 1 14 THR HA . . 3.640 3.951 3.783 4.053 0.413 4 0 "[ . 1 . 2]" 1
15 1 24 LYS H 1 54 CYS HA . . 3.550 3.578 3.524 3.604 0.054 9 0 "[ . 1 . 2]" 1
16 1 40 ILE HA 1 42 VAL H . . 4.100 4.525 4.494 4.573 0.473 2 0 "[ . 1 . 2]" 1
17 1 26 PHE H 1 51 LYS H . . 3.020 2.590 2.524 2.639 . 0 0 "[ . 1 . 2]" 1
18 1 22 CYS H 1 56 ASN HA . . 3.330 3.391 3.301 3.467 0.137 20 0 "[ . 1 . 2]" 1
19 1 30 ASP HA 1 32 THR H . . 3.450 3.002 2.931 3.037 . 0 0 "[ . 1 . 2]" 1
20 1 34 PRO HA 1 36 LYS H . . 3.670 4.075 4.042 4.116 0.446 19 0 "[ . 1 . 2]" 1
21 1 25 MET H 1 36 LYS H . . 3.210 2.665 2.550 2.773 . 0 0 "[ . 1 . 2]" 1
22 1 26 PHE HA 1 36 LYS H . . 3.950 4.730 4.629 4.841 0.891 19 20 [******-***********+*] 1
23 1 7 LEU HA 1 37 ARG H . . 4.040 4.154 3.898 4.333 0.293 16 0 "[ . 1 . 2]" 1
24 1 25 MET HB3 1 26 PHE H . . 3.520 3.110 3.074 3.146 . 0 0 "[ . 1 . 2]" 1
25 1 44 PRO HB3 1 45 LYS H . . 3.580 3.914 3.881 3.944 0.364 12 0 "[ . 1 . 2]" 1
26 1 44 PRO HB2 1 45 LYS H . . 3.450 3.353 3.254 3.438 . 0 0 "[ . 1 . 2]" 1
27 1 44 PRO HA 1 45 LYS H . . 2.650 2.213 2.196 2.236 . 0 0 "[ . 1 . 2]" 1
28 1 34 PRO HB2 1 35 VAL H . . 3.700 2.786 2.736 2.863 . 0 0 "[ . 1 . 2]" 1
29 1 34 PRO HA 1 35 VAL H . . 2.620 2.422 2.398 2.442 . 0 0 "[ . 1 . 2]" 1
30 1 34 PRO HB3 1 35 VAL H . . 3.700 3.632 3.615 3.658 . 0 0 "[ . 1 . 2]" 1
31 1 26 PHE HA 1 35 VAL H . . 3.390 3.169 3.059 3.293 . 0 0 "[ . 1 . 2]" 1
32 1 4 CYS HA 1 59 ARG H . . 3.360 2.338 2.232 2.449 . 0 0 "[ . 1 . 2]" 1
33 1 17 GLU HA 1 19 LYS H . . 3.450 3.420 3.359 3.458 0.008 9 0 "[ . 1 . 2]" 1
34 1 23 TYR QE 1 39 CYS H . . 7.630 3.033 2.971 3.108 . 0 0 "[ . 1 . 2]" 1
35 1 22 CYS HB2 1 61 ASN H . . 4.420 3.289 3.125 3.443 . 0 0 "[ . 1 . 2]" 1
36 1 9 PRO HD3 1 10 ILE H . . 5.500 4.035 3.960 4.097 . 0 0 "[ . 1 . 2]" 1
37 1 9 PRO HD2 1 10 ILE H . . 4.720 3.018 2.957 3.243 . 0 0 "[ . 1 . 2]" 1
38 1 9 PRO HG3 1 10 ILE H . . 4.850 4.623 4.517 4.930 0.080 7 0 "[ . 1 . 2]" 1
39 1 38 GLY H 1 61 ASN HD22 . . 3.610 2.467 2.385 2.567 . 0 0 "[ . 1 . 2]" 1
40 1 23 TYR QD 1 40 ILE H . . 7.450 3.300 3.229 3.373 . 0 0 "[ . 1 . 2]" 1
41 1 21 LEU QB 1 55 CYS H . . 4.170 3.188 3.053 3.373 . 0 0 "[ . 1 . 2]" 1
42 1 40 ILE QG 1 42 VAL H . . 3.050 2.087 2.021 2.194 . 0 0 "[ . 1 . 2]" 1
43 1 34 PRO QG 1 36 LYS H . . 4.790 4.713 4.668 4.772 . 0 0 "[ . 1 . 2]" 1
44 1 24 LYS HB3 1 53 VAL H . . 5.190 5.322 5.262 5.378 0.188 3 0 "[ . 1 . 2]" 1
45 1 23 TYR QD 1 25 MET H . . 7.450 3.921 3.695 4.068 . 0 0 "[ . 1 . 2]" 1
46 1 19 LYS HG3 1 41 ASP H . . 4.510 2.318 2.198 2.444 . 0 0 "[ . 1 . 2]" 1
47 1 16 PRO HD2 1 19 LYS H . . 5.130 4.574 4.471 4.701 . 0 0 "[ . 1 . 2]" 1
48 1 2 LEU QD 1 21 LEU H . . 5.040 4.438 4.173 5.243 0.203 1 0 "[ . 1 . 2]" 1
49 1 21 LEU MD2 1 56 ASN H . . 6.220 3.996 3.862 4.091 . 0 0 "[ . 1 . 2]" 1
50 1 21 LEU MD2 1 55 CYS H . . 5.500 4.320 4.185 4.476 . 0 0 "[ . 1 . 2]" 1
51 1 21 LEU MD1 1 55 CYS H . . 6.530 4.475 4.339 4.634 . 0 0 "[ . 1 . 2]" 1
52 1 40 ILE MG 1 43 CYS H . . 6.190 4.013 3.918 4.107 . 0 0 "[ . 1 . 2]" 1
53 1 40 ILE MG 1 42 VAL H . . 4.920 3.325 3.185 3.517 . 0 0 "[ . 1 . 2]" 1
54 1 40 ILE MD 1 42 VAL H . . 6.120 3.485 3.437 3.552 . 0 0 "[ . 1 . 2]" 1
55 1 2 LEU QD 1 58 ASP H . . 4.330 4.075 3.325 4.336 0.006 17 0 "[ . 1 . 2]" 1
56 1 57 THR MG 1 58 ASP H . . 4.360 3.609 3.591 3.626 . 0 0 "[ . 1 . 2]" 1
57 1 7 LEU MD1 1 37 ARG H . . 5.320 4.371 4.277 4.507 . 0 0 "[ . 1 . 2]" 1
58 1 47 SER H 1 49 LEU QD . . 5.350 6.455 6.405 6.489 1.139 11 20 [-*********+*********] 1
59 1 21 LEU MD1 1 41 ASP H . . 5.810 5.262 5.124 5.460 . 0 0 "[ . 1 . 2]" 1
60 1 34 PRO HB2 1 36 LYS H . . 4.230 3.154 3.112 3.204 . 0 0 "[ . 1 . 2]" 1
61 1 22 CYS HB3 1 23 TYR H . . 4.850 3.172 3.025 3.342 . 0 0 "[ . 1 . 2]" 1
62 1 19 LYS HA 1 20 ASN H . . 2.650 2.397 2.358 2.440 . 0 0 "[ . 1 . 2]" 1
63 1 19 LYS HA 1 19 LYS HB2 . . 2.740 3.028 3.021 3.032 0.292 16 0 "[ . 1 . 2]" 1
64 1 43 CYS H 1 43 CYS HB3 . . 3.080 2.474 2.440 2.515 . 0 0 "[ . 1 . 2]" 1
65 1 58 ASP H 1 58 ASP HB3 . . 3.700 3.513 3.503 3.529 . 0 0 "[ . 1 . 2]" 1
66 1 58 ASP HB3 1 59 ARG H . . 3.760 2.995 2.944 3.060 . 0 0 "[ . 1 . 2]" 1
67 1 26 PHE HB2 1 27 MET H . . 4.230 3.783 3.728 3.840 . 0 0 "[ . 1 . 2]" 1
68 1 26 PHE H 1 26 PHE HB2 . . 3.420 2.435 2.383 2.518 . 0 0 "[ . 1 . 2]" 1
69 1 7 LEU HB3 1 8 VAL H . . 4.450 2.730 2.690 2.774 . 0 0 "[ . 1 . 2]" 1
70 1 15 CYS HA 1 15 CYS HB2 . . 3.140 3.053 3.017 3.108 . 0 0 "[ . 1 . 2]" 1
71 1 29 SER H 1 29 SER HB2 . . 3.640 2.480 2.464 2.492 . 0 0 "[ . 1 . 2]" 1
72 1 29 SER HB2 1 30 ASP H . . 4.450 3.612 3.565 3.680 . 0 0 "[ . 1 . 2]" 1
73 1 47 SER HB3 1 48 LEU H . . 3.640 3.718 3.699 3.743 0.103 10 0 "[ . 1 . 2]" 1
74 1 32 THR HA 1 33 ILE H . . 3.860 3.602 3.598 3.605 . 0 0 "[ . 1 . 2]" 1
75 1 51 LYS HA 1 52 TYR H . . 3.300 2.299 2.291 2.305 . 0 0 "[ . 1 . 2]" 1
76 1 21 LEU H 1 21 LEU QB . . 3.760 2.353 2.306 2.495 . 0 0 "[ . 1 . 2]" 1
77 1 21 LEU QB 1 22 CYS H . . 3.360 2.708 2.597 2.776 . 0 0 "[ . 1 . 2]" 1
78 1 19 LYS HB3 1 20 ASN H . . 5.500 2.640 2.557 2.727 . 0 0 "[ . 1 . 2]" 1
79 1 19 LYS H 1 19 LYS HB3 . . 3.240 3.557 3.522 3.573 0.333 8 0 "[ . 1 . 2]" 1
80 1 12 TYR HA 1 12 TYR HB3 . . 3.080 2.416 2.398 2.427 . 0 0 "[ . 1 . 2]" 1
81 1 12 TYR HA 1 13 LYS H . . 3.670 2.367 2.332 2.391 . 0 0 "[ . 1 . 2]" 1
82 1 6 LYS H 1 12 TYR HA . . 3.170 2.588 2.362 2.797 . 0 0 "[ . 1 . 2]" 1
83 1 36 LYS HA 1 36 LYS HB3 . . 2.960 2.557 2.530 2.590 . 0 0 "[ . 1 . 2]" 1
84 1 36 LYS HA 1 37 ARG H . . 2.650 2.287 2.264 2.301 . 0 0 "[ . 1 . 2]" 1
85 1 52 TYR H 1 52 TYR HB2 . . 3.050 2.481 2.371 2.498 . 0 0 "[ . 1 . 2]" 1
86 1 17 GLU H 1 17 GLU HB3 . . 2.960 2.449 2.437 2.458 . 0 0 "[ . 1 . 2]" 1
87 1 17 GLU HB3 1 18 GLY H . . 5.500 4.191 4.152 4.239 . 0 0 "[ . 1 . 2]" 1
88 1 17 GLU HA 1 17 GLU HB3 . . 3.140 3.035 3.033 3.036 . 0 0 "[ . 1 . 2]" 1
89 1 28 MET HB2 1 29 SER H . . 3.860 2.878 2.839 2.930 . 0 0 "[ . 1 . 2]" 1
90 1 28 MET H 1 28 MET HB2 . . 2.990 2.315 2.303 2.324 . 0 0 "[ . 1 . 2]" 1
91 1 26 PHE HA 1 34 PRO HA . . 3.240 2.571 2.514 2.638 . 0 0 "[ . 1 . 2]" 1
92 1 12 TYR HB3 1 13 LYS H . . 4.760 3.940 3.903 3.984 . 0 0 "[ . 1 . 2]" 1
93 1 41 ASP HA 1 42 VAL H . . 3.700 3.639 3.635 3.645 . 0 0 "[ . 1 . 2]" 1
94 1 41 ASP H 1 41 ASP HA . . 3.140 2.869 2.865 2.871 . 0 0 "[ . 1 . 2]" 1
95 1 56 ASN HB2 1 57 THR H . . 5.500 4.751 4.749 4.753 . 0 0 "[ . 1 . 2]" 1
96 1 56 ASN H 1 56 ASN HB2 . . 3.670 3.730 3.714 3.741 0.071 10 0 "[ . 1 . 2]" 1
97 1 15 CYS HA 1 15 CYS HB3 . . 2.900 2.579 2.501 2.669 . 0 0 "[ . 1 . 2]" 1
98 1 15 CYS H 1 15 CYS HB3 . . 3.790 3.482 3.375 3.559 . 0 0 "[ . 1 . 2]" 1
99 1 24 LYS H 1 24 LYS HB3 . . 4.200 3.222 3.208 3.239 . 0 0 "[ . 1 . 2]" 1
100 1 24 LYS HB3 1 25 MET H . . 5.130 4.012 3.967 4.073 . 0 0 "[ . 1 . 2]" 1
101 1 23 TYR H 1 23 TYR HB3 . . 3.610 2.860 2.726 2.887 . 0 0 "[ . 1 . 2]" 1
102 1 25 MET HA 1 25 MET HB3 . . 3.140 2.499 2.483 2.530 . 0 0 "[ . 1 . 2]" 1
103 1 25 MET HA 1 26 PHE H . . 2.740 2.260 2.255 2.268 . 0 0 "[ . 1 . 2]" 1
104 1 46 ASN HA 1 46 ASN HB3 . . 2.800 2.215 2.207 2.221 . 0 0 "[ . 1 . 2]" 1
105 1 46 ASN HA 1 47 SER H . . 2.860 2.348 2.337 2.378 . 0 0 "[ . 1 . 2]" 1
106 1 2 LEU H 1 2 LEU HB2 . . 3.890 2.179 2.032 2.214 . 0 0 "[ . 1 . 2]" 1
107 1 60 CYS HB2 1 61 ASN H . . 4.100 3.983 3.944 4.018 . 0 0 "[ . 1 . 2]" 1
108 1 7 LEU HA 1 8 VAL H . . 4.010 3.604 3.594 3.611 . 0 0 "[ . 1 . 2]" 1
109 1 30 ASP HB3 1 31 LEU H . . 4.260 4.377 4.372 4.382 0.122 19 0 "[ . 1 . 2]" 1
110 1 30 ASP H 1 30 ASP HB3 . . 3.610 2.412 2.399 2.425 . 0 0 "[ . 1 . 2]" 1
111 1 49 LEU HB3 1 50 VAL H . . 4.010 3.565 3.551 3.587 . 0 0 "[ . 1 . 2]" 1
112 1 49 LEU H 1 49 LEU HB3 . . 3.520 3.595 3.584 3.603 0.083 5 0 "[ . 1 . 2]" 1
113 1 5 ASN HB3 1 6 LYS H . . 3.450 2.760 2.683 2.822 . 0 0 "[ . 1 . 2]" 1
114 1 38 GLY HA3 1 39 CYS H . . 3.860 2.442 2.423 2.461 . 0 0 "[ . 1 . 2]" 1
115 1 54 CYS H 1 54 CYS HB3 . . 3.790 3.785 3.775 3.794 0.004 7 0 "[ . 1 . 2]" 1
116 1 54 CYS HB3 1 55 CYS H . . 3.300 2.692 2.598 2.819 . 0 0 "[ . 1 . 2]" 1
117 1 54 CYS HA 1 54 CYS HB3 . . 2.860 2.391 2.379 2.401 . 0 0 "[ . 1 . 2]" 1
118 1 48 LEU H 1 48 LEU HB2 . . 3.920 2.194 2.188 2.198 . 0 0 "[ . 1 . 2]" 1
119 1 48 LEU HB2 1 49 LEU H . . 3.980 2.926 2.864 2.981 . 0 0 "[ . 1 . 2]" 1
120 1 27 MET H 1 27 MET HB3 . . 3.760 3.673 3.661 3.687 . 0 0 "[ . 1 . 2]" 1
121 1 27 MET HB3 1 28 MET H . . 3.640 2.882 2.847 2.911 . 0 0 "[ . 1 . 2]" 1
122 1 22 CYS H 1 22 CYS HB2 . . 3.860 2.518 2.497 2.548 . 0 0 "[ . 1 . 2]" 1
123 1 13 LYS HB2 1 14 THR H . . 5.500 4.018 3.900 4.093 . 0 0 "[ . 1 . 2]" 1
124 1 18 GLY HA2 1 19 LYS H . . 3.790 3.517 3.487 3.547 . 0 0 "[ . 1 . 2]" 1
125 1 43 CYS H 1 43 CYS HB2 . . 2.930 2.500 2.460 2.531 . 0 0 "[ . 1 . 2]" 1
126 1 58 ASP HA 1 59 ARG H . . 2.960 2.309 2.298 2.317 . 0 0 "[ . 1 . 2]" 1
127 1 26 PHE HB3 1 27 MET H . . 3.580 2.615 2.573 2.668 . 0 0 "[ . 1 . 2]" 1
128 1 26 PHE H 1 26 PHE HB3 . . 3.860 3.633 3.592 3.698 . 0 0 "[ . 1 . 2]" 1
129 1 9 PRO HA 1 10 ILE H . . 3.360 3.297 3.274 3.375 0.015 2 0 "[ . 1 . 2]" 1
130 1 5 ASN HB3 1 9 PRO HA . . 3.550 3.180 2.700 3.583 0.033 19 0 "[ . 1 . 2]" 1
131 1 9 PRO HA 1 9 PRO HB3 . . 3.140 2.375 2.372 2.384 . 0 0 "[ . 1 . 2]" 1
132 1 9 PRO HA 1 11 ALA H . . 3.480 3.474 3.402 3.698 0.218 4 0 "[ . 1 . 2]" 1
133 1 7 LEU HB2 1 8 VAL H . . 5.500 3.942 3.902 4.003 . 0 0 "[ . 1 . 2]" 1
134 1 7 LEU H 1 7 LEU HB2 . . 3.980 2.372 2.337 2.419 . 0 0 "[ . 1 . 2]" 1
135 1 4 CYS HA 1 5 ASN H . . 2.710 2.579 2.540 2.664 . 0 0 "[ . 1 . 2]" 1
136 1 4 CYS HA 1 4 CYS HB3 . . 3.080 2.457 2.429 2.583 . 0 0 "[ . 1 . 2]" 1
137 1 4 CYS HA 1 59 ARG HA . . 3.050 2.758 2.608 2.943 . 0 0 "[ . 1 . 2]" 1
138 1 29 SER H 1 29 SER HB3 . . 3.050 2.413 2.404 2.423 . 0 0 "[ . 1 . 2]" 1
139 1 29 SER HB3 1 30 ASP H . . 5.500 2.047 1.973 2.152 . 0 0 "[ . 1 . 2]" 1
140 1 47 SER HB2 1 48 LEU H . . 5.500 2.197 2.179 2.235 . 0 0 "[ . 1 . 2]" 1
141 1 61 ASN H 1 61 ASN HB3 . . 3.830 2.691 2.640 2.732 . 0 0 "[ . 1 . 2]" 1
142 1 2 LEU HA 1 3 LYS H . . 4.260 2.668 2.598 2.697 . 0 0 "[ . 1 . 2]" 1
143 1 35 VAL HB 1 36 LYS H . . 5.410 4.114 4.091 4.129 . 0 0 "[ . 1 . 2]" 1
144 1 52 TYR H 1 52 TYR HB3 . . 3.700 3.674 3.592 3.685 . 0 0 "[ . 1 . 2]" 1
145 1 52 TYR HB3 1 53 VAL H . . 3.640 3.373 3.343 3.504 . 0 0 "[ . 1 . 2]" 1
146 1 8 VAL H 1 8 VAL HB . . 3.210 2.428 2.410 2.538 . 0 0 "[ . 1 . 2]" 1
147 1 33 ILE H 1 33 ILE HB . . 3.270 2.588 2.577 2.603 . 0 0 "[ . 1 . 2]" 1
148 1 17 GLU H 1 17 GLU HB2 . . 3.020 2.407 2.397 2.416 . 0 0 "[ . 1 . 2]" 1
149 1 17 GLU HB2 1 18 GLY H . . 4.040 4.229 4.196 4.273 0.233 12 0 "[ . 1 . 2]" 1
150 1 37 ARG HB3 1 38 GLY H . . 5.130 2.798 2.733 2.980 . 0 0 "[ . 1 . 2]" 1
151 1 12 TYR HB2 1 13 LYS H . . 5.500 2.663 2.593 2.750 . 0 0 "[ . 1 . 2]" 1
152 1 40 ILE HA 1 41 ASP H . . 2.770 2.444 2.411 2.465 . 0 0 "[ . 1 . 2]" 1
153 1 56 ASN HA 1 56 ASN HB2 . . 2.650 2.541 2.536 2.544 . 0 0 "[ . 1 . 2]" 1
154 1 56 ASN HA 1 57 THR H . . 3.300 2.981 2.968 2.999 . 0 0 "[ . 1 . 2]" 1
155 1 56 ASN HA 1 56 ASN HB3 . . 2.620 2.213 2.206 2.217 . 0 0 "[ . 1 . 2]" 1
156 1 15 CYS H 1 15 CYS HB2 . . 3.080 2.265 2.095 2.404 . 0 0 "[ . 1 . 2]" 1
157 1 24 LYS H 1 24 LYS HB2 . . 3.950 3.788 3.783 3.795 . 0 0 "[ . 1 . 2]" 1
158 1 24 LYS HB2 1 25 MET H . . 3.980 2.845 2.756 2.965 . 0 0 "[ . 1 . 2]" 1
159 1 23 TYR HA 1 23 TYR HB3 . . 2.830 2.528 2.518 2.539 . 0 0 "[ . 1 . 2]" 1
160 1 23 TYR HA 1 24 LYS H . . 2.620 2.312 2.297 2.333 . 0 0 "[ . 1 . 2]" 1
161 1 23 TYR HA 1 54 CYS HA . . 2.680 2.018 1.944 2.085 . 0 0 "[ . 1 . 2]" 1
162 1 23 TYR HA 1 23 TYR HB2 . . 2.740 2.318 2.309 2.325 . 0 0 "[ . 1 . 2]" 1
163 1 24 LYS HA 1 38 GLY H . . 5.070 3.823 3.746 3.880 . 0 0 "[ . 1 . 2]" 1
164 1 24 LYS HA 1 25 MET H . . 2.990 2.307 2.268 2.339 . 0 0 "[ . 1 . 2]" 1
165 1 45 LYS H 1 45 LYS HB3 . . 3.670 3.532 3.530 3.534 . 0 0 "[ . 1 . 2]" 1
166 1 45 LYS HB3 1 46 ASN H . . 4.600 2.510 2.443 2.564 . 0 0 "[ . 1 . 2]" 1
167 1 60 CYS HA 1 61 ASN H . . 3.760 3.547 3.533 3.561 . 0 0 "[ . 1 . 2]" 1
168 1 60 CYS H 1 60 CYS HA . . 3.080 2.881 2.875 2.886 . 0 0 "[ . 1 . 2]" 1
169 1 60 CYS HA 1 60 CYS HB2 . . 2.550 2.499 2.456 2.599 0.049 18 0 "[ . 1 . 2]" 1
170 1 60 CYS HA 1 60 CYS HB3 . . 2.590 2.427 2.361 2.586 . 0 0 "[ . 1 . 2]" 1
171 1 59 ARG HB2 1 60 CYS H . . 4.170 4.254 4.226 4.278 0.108 3 0 "[ . 1 . 2]" 1
172 1 30 ASP H 1 30 ASP HB2 . . 4.260 2.660 2.591 2.698 . 0 0 "[ . 1 . 2]" 1
173 1 30 ASP HA 1 30 ASP HB2 . . 3.050 2.569 2.564 2.575 . 0 0 "[ . 1 . 2]" 1
174 1 49 LEU HB2 1 50 VAL H . . 3.760 2.392 2.379 2.415 . 0 0 "[ . 1 . 2]" 1
175 1 19 LYS H 1 19 LYS HB2 . . 3.790 2.297 2.235 2.326 . 0 0 "[ . 1 . 2]" 1
176 1 6 LYS HB3 1 7 LEU H . . 3.580 2.165 2.016 2.262 . 0 0 "[ . 1 . 2]" 1
177 1 6 LYS H 1 6 LYS HB3 . . 4.100 3.553 3.536 3.584 . 0 0 "[ . 1 . 2]" 1
178 1 5 ASN H 1 5 ASN HB2 . . 3.170 2.638 2.615 2.681 . 0 0 "[ . 1 . 2]" 1
179 1 5 ASN HB2 1 6 LYS H . . 5.500 4.171 4.100 4.229 . 0 0 "[ . 1 . 2]" 1
180 1 37 ARG HB2 1 38 GLY H . . 5.500 3.958 3.887 4.067 . 0 0 "[ . 1 . 2]" 1
181 1 37 ARG H 1 37 ARG HB2 . . 4.200 2.818 2.779 2.832 . 0 0 "[ . 1 . 2]" 1
182 1 54 CYS H 1 54 CYS HB2 . . 3.360 2.737 2.712 2.759 . 0 0 "[ . 1 . 2]" 1
183 1 54 CYS HB2 1 55 CYS H . . 3.730 3.630 3.551 3.740 0.010 5 0 "[ . 1 . 2]" 1
184 1 22 CYS HA 1 22 CYS HB2 . . 3.020 3.023 3.020 3.025 0.005 19 0 "[ . 1 . 2]" 1
185 1 22 CYS HA 1 39 CYS HA . . 2.710 2.394 2.280 2.507 . 0 0 "[ . 1 . 2]" 1
186 1 22 CYS H 1 22 CYS HA . . 3.020 2.926 2.924 2.928 . 0 0 "[ . 1 . 2]" 1
187 1 22 CYS HA 1 23 TYR H . . 3.020 2.267 2.238 2.300 . 0 0 "[ . 1 . 2]" 1
188 1 13 LYS HA 1 13 LYS HB3 . . 2.900 2.516 2.472 2.540 . 0 0 "[ . 1 . 2]" 1
189 1 13 LYS HB3 1 14 THR H . . 3.890 2.853 2.652 2.980 . 0 0 "[ . 1 . 2]" 1
190 1 18 GLY HA3 1 19 LYS H . . 4.070 3.143 3.085 3.195 . 0 0 "[ . 1 . 2]" 1
191 1 43 CYS HA 1 43 CYS HB3 . . 3.110 3.026 3.024 3.028 . 0 0 "[ . 1 . 2]" 1
192 1 43 CYS HA 1 43 CYS HB2 . . 2.960 2.455 2.435 2.477 . 0 0 "[ . 1 . 2]" 1
193 1 57 THR H 1 57 THR HB . . 4.010 3.813 3.807 3.821 . 0 0 "[ . 1 . 2]" 1
194 1 57 THR HA 1 57 THR HB . . 2.590 2.508 2.500 2.516 . 0 0 "[ . 1 . 2]" 1
195 1 57 THR HB 1 58 ASP H . . 2.740 2.164 2.145 2.190 . 0 0 "[ . 1 . 2]" 1
196 1 25 MET HB2 1 26 PHE H . . 4.510 4.156 4.118 4.194 . 0 0 "[ . 1 . 2]" 1
197 1 25 MET H 1 25 MET HB2 . . 3.420 2.449 2.417 2.486 . 0 0 "[ . 1 . 2]" 1
198 1 39 CYS HA 1 39 CYS HB2 . . 2.930 3.056 3.013 3.112 0.182 17 0 "[ . 1 . 2]" 1
199 1 28 MET HA 1 29 SER H . . 4.290 3.569 3.557 3.579 . 0 0 "[ . 1 . 2]" 1
200 1 28 MET HA 1 28 MET HB2 . . 3.050 3.011 3.008 3.013 . 0 0 "[ . 1 . 2]" 1
201 1 28 MET H 1 28 MET HA . . 3.110 2.690 2.683 2.695 . 0 0 "[ . 1 . 2]" 1
202 1 28 MET HA 1 28 MET HB3 . . 2.770 2.587 2.578 2.594 . 0 0 "[ . 1 . 2]" 1
203 1 47 SER HA 1 47 SER HB3 . . 2.680 2.472 2.458 2.482 . 0 0 "[ . 1 . 2]" 1
204 1 47 SER HA 1 48 LEU H . . 3.360 2.673 2.649 2.680 . 0 0 "[ . 1 . 2]" 1
205 1 47 SER HA 1 47 SER HB2 . . 2.830 2.436 2.429 2.446 . 0 0 "[ . 1 . 2]" 1
206 1 61 ASN H 1 61 ASN HB2 . . 3.580 3.623 3.613 3.638 0.058 17 0 "[ . 1 . 2]" 1
207 1 3 LYS HA 1 4 CYS H . . 2.710 2.199 2.179 2.215 . 0 0 "[ . 1 . 2]" 1
208 1 3 LYS HA 1 14 THR HA . . 2.930 2.694 2.412 2.858 . 0 0 "[ . 1 . 2]" 1
209 1 3 LYS HA 1 3 LYS QB . . 2.800 2.179 2.165 2.352 . 0 0 "[ . 1 . 2]" 1
210 1 35 VAL HA 1 35 VAL HB . . 2.960 2.482 2.469 2.494 . 0 0 "[ . 1 . 2]" 1
211 1 35 VAL HA 1 36 LYS H . . 4.070 3.498 3.484 3.515 . 0 0 "[ . 1 . 2]" 1
212 1 51 LYS H 1 51 LYS HB3 . . 3.730 2.414 2.404 2.424 . 0 0 "[ . 1 . 2]" 1
213 1 3 LYS H 1 14 THR HA . . 5.500 5.170 4.913 5.356 . 0 0 "[ . 1 . 2]" 1
214 1 14 THR HA 1 15 CYS H . . 2.800 2.194 2.177 2.226 . 0 0 "[ . 1 . 2]" 1
215 1 44 PRO HA 1 44 PRO HB3 . . 2.680 2.376 2.372 2.381 . 0 0 "[ . 1 . 2]" 1
216 1 39 CYS H 1 39 CYS HB3 . . 3.700 3.608 3.469 3.722 0.022 20 0 "[ . 1 . 2]" 1
217 1 39 CYS HB3 1 40 ILE H . . 3.890 2.899 2.768 3.073 . 0 0 "[ . 1 . 2]" 1
218 1 20 ASN H 1 20 ASN QB . . 3.450 2.546 2.464 2.626 . 0 0 "[ . 1 . 2]" 1
219 1 20 ASN QB 1 21 LEU H . . 4.170 2.540 2.357 2.696 . 0 0 "[ . 1 . 2]" 1
220 1 4 CYS HB3 1 5 ASN H . . 3.390 2.355 2.311 2.466 . 0 0 "[ . 1 . 2]" 1
221 1 4 CYS H 1 4 CYS HB3 . . 3.730 3.757 3.637 3.807 0.077 20 0 "[ . 1 . 2]" 1
222 1 21 LEU HA 1 22 CYS H . . 3.210 2.372 2.347 2.409 . 0 0 "[ . 1 . 2]" 1
223 1 45 LYS H 1 45 LYS HB2 . . 3.580 2.340 2.337 2.343 . 0 0 "[ . 1 . 2]" 1
224 1 45 LYS HB2 1 46 ASN H . . 4.760 3.762 3.709 3.804 . 0 0 "[ . 1 . 2]" 1
225 1 36 LYS HB3 1 37 ARG H . . 3.450 2.934 2.864 3.081 . 0 0 "[ . 1 . 2]" 1
226 1 59 ARG HB3 1 60 CYS H . . 5.500 4.500 4.494 4.506 . 0 0 "[ . 1 . 2]" 1
227 1 30 ASP HA 1 31 LEU H . . 3.020 2.412 2.391 2.437 . 0 0 "[ . 1 . 2]" 1
228 1 49 LEU HA 1 50 VAL H . . 3.920 3.617 3.614 3.619 . 0 0 "[ . 1 . 2]" 1
229 1 14 THR HB 1 15 CYS H . . 3.670 4.155 4.042 4.215 0.545 17 9 "[* **.*-* 1 .*+* 2]" 1
230 1 14 THR H 1 14 THR HB . . 3.580 2.452 2.441 2.476 . 0 0 "[ . 1 . 2]" 1
231 1 6 LYS HB2 1 7 LEU H . . 5.500 3.408 3.249 3.524 . 0 0 "[ . 1 . 2]" 1
232 1 6 LYS H 1 6 LYS HB2 . . 3.700 2.366 2.342 2.392 . 0 0 "[ . 1 . 2]" 1
233 1 5 ASN HA 1 6 LYS H . . 2.650 2.326 2.313 2.344 . 0 0 "[ . 1 . 2]" 1
234 1 37 ARG HA 1 38 GLY H . . 2.990 2.356 2.325 2.376 . 0 0 "[ . 1 . 2]" 1
235 1 37 ARG HA 1 37 ARG HB3 . . 3.020 2.466 2.427 2.569 . 0 0 "[ . 1 . 2]" 1
236 1 53 VAL HB 1 54 CYS H . . 5.500 4.204 4.168 4.229 . 0 0 "[ . 1 . 2]" 1
237 1 53 VAL H 1 53 VAL HB . . 3.390 2.640 2.621 2.652 . 0 0 "[ . 1 . 2]" 1
238 1 31 LEU H 1 31 LEU HB3 . . 3.450 3.400 3.392 3.408 . 0 0 "[ . 1 . 2]" 1
239 1 31 LEU HB3 1 32 THR H . . 5.500 3.863 3.830 3.905 . 0 0 "[ . 1 . 2]" 1
240 1 17 GLU HA 1 17 GLU HB2 . . 2.620 2.446 2.442 2.448 . 0 0 "[ . 1 . 2]" 1
241 1 17 GLU HA 1 18 GLY H . . 2.710 2.242 2.227 2.256 . 0 0 "[ . 1 . 2]" 1
242 1 42 VAL H 1 42 VAL HB . . 3.330 2.556 2.547 2.563 . 0 0 "[ . 1 . 2]" 1
243 1 57 THR HA 1 58 ASP H . . 4.450 2.572 2.556 2.582 . 0 0 "[ . 1 . 2]" 1
244 1 3 LYS QB 1 4 CYS H . . 4.290 3.185 3.084 3.338 . 0 0 "[ . 1 . 2]" 1
245 1 25 MET H 1 25 MET HB3 . . 3.950 3.654 3.638 3.675 . 0 0 "[ . 1 . 2]" 1
246 1 10 ILE H 1 10 ILE HB . . 3.790 3.687 3.604 3.705 . 0 0 "[ . 1 . 2]" 1
247 1 10 ILE HB 1 11 ALA H . . 5.500 4.495 4.416 4.513 . 0 0 "[ . 1 . 2]" 1
248 1 16 PRO HA 1 16 PRO HB3 . . 2.740 2.390 2.384 2.395 . 0 0 "[ . 1 . 2]" 1
249 1 54 CYS HA 1 55 CYS H . . 2.740 2.427 2.380 2.464 . 0 0 "[ . 1 . 2]" 1
250 1 27 MET HA 1 27 MET HB3 . . 2.830 2.503 2.495 2.507 . 0 0 "[ . 1 . 2]" 1
251 1 27 MET HA 1 28 MET H . . 2.520 2.323 2.314 2.336 . 0 0 "[ . 1 . 2]" 1
252 1 27 MET HA 1 27 MET HB2 . . 3.140 3.026 3.023 3.028 . 0 0 "[ . 1 . 2]" 1
253 1 46 ASN HB3 1 47 SER H . . 3.700 2.659 2.570 2.699 . 0 0 "[ . 1 . 2]" 1
254 1 46 ASN H 1 46 ASN HB3 . . 4.200 3.490 3.487 3.493 . 0 0 "[ . 1 . 2]" 1
255 1 61 ASN HA 1 61 ASN HB3 . . 2.680 2.519 2.507 2.529 . 0 0 "[ . 1 . 2]" 1
256 1 61 ASN HA 1 61 ASN HB2 . . 2.680 2.468 2.458 2.479 . 0 0 "[ . 1 . 2]" 1
257 1 10 ILE HA 1 11 ALA H . . 3.860 3.107 3.044 3.330 . 0 0 "[ . 1 . 2]" 1
258 1 10 ILE HA 1 10 ILE HB . . 3.020 2.504 2.442 2.514 . 0 0 "[ . 1 . 2]" 1
259 1 51 LYS H 1 51 LYS HB2 . . 3.360 2.899 2.861 2.919 . 0 0 "[ . 1 . 2]" 1
260 1 51 LYS HB2 1 52 TYR H . . 3.760 4.046 4.039 4.054 0.294 14 0 "[ . 1 . 2]" 1
261 1 11 ALA HA 1 12 TYR H . . 3.420 2.234 2.204 2.266 . 0 0 "[ . 1 . 2]" 1
262 1 39 CYS H 1 39 CYS HB2 . . 3.950 2.449 2.189 2.702 . 0 0 "[ . 1 . 2]" 1
263 1 39 CYS HB2 1 40 ILE H . . 3.450 3.884 3.659 4.081 0.631 9 8 "[ -* *+1 **** 2]" 1
264 1 55 CYS H 1 55 CYS HB2 . . 3.830 3.877 3.837 3.902 0.072 10 0 "[ . 1 . 2]" 1
265 1 34 PRO HB3 1 36 LYS H . . 4.790 4.511 4.471 4.574 . 0 0 "[ . 1 . 2]" 1
266 1 4 CYS HB2 1 5 ASN H . . 3.670 3.458 3.413 3.524 . 0 0 "[ . 1 . 2]" 1
267 1 4 CYS H 1 4 CYS HB2 . . 3.580 2.646 2.435 2.732 . 0 0 "[ . 1 . 2]" 1
268 1 45 LYS HA 1 46 ASN H . . 3.050 2.437 2.412 2.468 . 0 0 "[ . 1 . 2]" 1
269 1 58 ASP H 1 58 ASP HB2 . . 2.930 2.426 2.398 2.471 . 0 0 "[ . 1 . 2]" 1
270 1 58 ASP HB2 1 59 ARG H . . 3.790 4.231 4.165 4.268 0.478 13 0 "[ . 1 . 2]" 1
271 1 59 ARG HA 1 60 CYS H . . 3.610 2.901 2.876 2.928 . 0 0 "[ . 1 . 2]" 1
272 1 59 ARG H 1 59 ARG HA . . 2.770 2.164 2.162 2.167 . 0 0 "[ . 1 . 2]" 1
273 1 29 SER HA 1 29 SER HB2 . . 2.400 2.431 2.428 2.434 0.034 13 0 "[ . 1 . 2]" 1
274 1 29 SER H 1 29 SER HA . . 3.140 2.769 2.756 2.782 . 0 0 "[ . 1 . 2]" 1
275 1 48 LEU HA 1 48 LEU HB2 . . 2.860 2.953 2.952 2.956 0.096 5 0 "[ . 1 . 2]" 1
276 1 48 LEU HA 1 49 LEU H . . 3.700 3.508 3.491 3.528 . 0 0 "[ . 1 . 2]" 1
277 1 48 LEU HA 1 48 LEU HB3 . . 3.080 2.603 2.601 2.606 . 0 0 "[ . 1 . 2]" 1
278 1 32 THR HB 1 33 ILE H . . 4.850 2.622 2.600 2.641 . 0 0 "[ . 1 . 2]" 1
279 1 32 THR H 1 32 THR HB . . 3.550 2.436 2.432 2.445 . 0 0 "[ . 1 . 2]" 1
280 1 50 VAL HA 1 51 LYS H . . 2.590 2.300 2.286 2.308 . 0 0 "[ . 1 . 2]" 1
281 1 50 VAL HA 1 50 VAL HB . . 2.900 2.523 2.518 2.526 . 0 0 "[ . 1 . 2]" 1
282 1 53 VAL HA 1 54 CYS H . . 2.900 2.210 2.202 2.222 . 0 0 "[ . 1 . 2]" 1
283 1 28 MET HB3 1 29 SER H . . 4.140 3.689 3.648 3.739 . 0 0 "[ . 1 . 2]" 1
284 1 31 LEU H 1 31 LEU HB2 . . 4.100 1.936 1.928 1.943 . 0 0 "[ . 1 . 2]" 1
285 1 31 LEU HB2 1 32 THR H . . 3.950 3.244 3.225 3.288 . 0 0 "[ . 1 . 2]" 1
286 1 13 LYS HA 1 14 THR H . . 5.100 2.310 2.273 2.376 . 0 0 "[ . 1 . 2]" 1
287 1 41 ASP QB 1 42 VAL H . . 4.670 3.310 3.265 3.336 . 0 0 "[ . 1 . 2]" 1
288 1 56 ASN HB3 1 57 THR H . . 4.420 4.381 4.375 4.388 . 0 0 "[ . 1 . 2]" 1
289 1 56 ASN H 1 56 ASN HB3 . . 3.830 2.602 2.561 2.627 . 0 0 "[ . 1 . 2]" 1
290 1 40 ILE H 1 40 ILE HB . . 3.890 3.379 3.371 3.388 . 0 0 "[ . 1 . 2]" 1
291 1 23 TYR HB2 1 24 LYS H . . 3.170 2.895 2.831 2.955 . 0 0 "[ . 1 . 2]" 1
292 1 23 TYR H 1 23 TYR HB2 . . 3.670 3.768 3.711 3.779 0.109 20 0 "[ . 1 . 2]" 1
293 1 26 PHE HA 1 27 MET H . . 3.210 2.455 2.431 2.482 . 0 0 "[ . 1 . 2]" 1
294 1 46 ASN HB2 1 47 SER H . . 4.070 4.051 3.986 4.077 0.007 1 0 "[ . 1 . 2]" 1
295 1 46 ASN H 1 46 ASN HB2 . . 3.980 2.653 2.643 2.661 . 0 0 "[ . 1 . 2]" 1
296 1 60 CYS HB3 1 61 ASN H . . 5.500 4.123 3.936 4.200 . 0 0 "[ . 1 . 2]" 1
297 1 25 MET HA 1 52 TYR HA . . 2.860 2.802 2.706 2.846 . 0 0 "[ . 1 . 2]" 1
298 1 52 TYR HA 1 53 VAL H . . 2.650 2.197 2.195 2.200 . 0 0 "[ . 1 . 2]" 1
299 1 16 PRO HB3 1 17 GLU H . . 3.790 3.755 3.722 3.791 0.001 14 0 "[ . 1 . 2]" 1
300 1 42 VAL HA 1 43 CYS H . . 2.650 2.204 2.192 2.217 . 0 0 "[ . 1 . 2]" 1
301 1 31 LEU HA 1 32 THR H . . 3.610 3.451 3.434 3.460 . 0 0 "[ . 1 . 2]" 1
302 1 31 LEU HA 1 31 LEU HB2 . . 3.080 2.895 2.890 2.899 . 0 0 "[ . 1 . 2]" 1
303 1 50 VAL H 1 50 VAL HB . . 3.670 3.748 3.744 3.752 0.082 7 0 "[ . 1 . 2]" 1
304 1 50 VAL HB 1 51 LYS H . . 3.170 2.879 2.855 2.923 . 0 0 "[ . 1 . 2]" 1
305 1 6 LYS HA 1 7 LEU H . . 3.670 2.617 2.579 2.689 . 0 0 "[ . 1 . 2]" 1
306 1 6 LYS HA 1 6 LYS HB3 . . 3.050 2.487 2.468 2.500 . 0 0 "[ . 1 . 2]" 1
307 1 38 GLY HA2 1 39 CYS H . . 3.390 2.815 2.790 2.839 . 0 0 "[ . 1 . 2]" 1
308 1 55 CYS HA 1 56 ASN H . . 2.590 2.456 2.428 2.484 . 0 0 "[ . 1 . 2]" 1
309 1 55 CYS HA 1 55 CYS HB3 . . 2.550 2.318 2.309 2.325 . 0 0 "[ . 1 . 2]" 1
310 1 55 CYS HA 1 55 CYS HB2 . . 2.590 2.539 2.530 2.554 . 0 0 "[ . 1 . 2]" 1
311 1 48 LEU H 1 48 LEU HB3 . . 3.830 3.541 3.538 3.543 . 0 0 "[ . 1 . 2]" 1
312 1 19 LYS HA 1 19 LYS QE . . 6.130 4.217 2.585 4.597 . 0 0 "[ . 1 . 2]" 1
313 1 19 LYS HA 1 19 LYS HG3 . . 3.700 2.595 2.542 2.640 . 0 0 "[ . 1 . 2]" 1
314 1 26 PHE HB2 1 51 LYS HB2 . . 3.640 3.442 3.367 3.511 . 0 0 "[ . 1 . 2]" 1
315 1 19 LYS HB3 1 19 LYS HG2 . . 2.400 2.493 2.463 2.518 0.118 3 0 "[ . 1 . 2]" 1
316 1 6 LYS HD2 1 12 TYR HA . . 4.760 4.673 4.453 4.779 0.019 20 0 "[ . 1 . 2]" 1
317 1 6 LYS QG 1 12 TYR HA . . 5.420 2.838 2.641 3.093 . 0 0 "[ . 1 . 2]" 1
318 1 36 LYS HA 1 36 LYS HG3 . . 3.610 3.158 2.972 3.227 . 0 0 "[ . 1 . 2]" 1
319 1 36 LYS HA 1 36 LYS HG2 . . 3.790 2.343 2.216 2.417 . 0 0 "[ . 1 . 2]" 1
320 1 33 ILE HA 1 33 ILE HG12 . . 4.350 2.980 2.968 2.988 . 0 0 "[ . 1 . 2]" 1
321 1 26 PHE QD 1 34 PRO HA . . 7.280 3.073 3.042 3.122 . 0 0 "[ . 1 . 2]" 1
322 1 31 LEU H 1 31 LEU HG . . 4.290 4.349 4.339 4.357 0.067 6 0 "[ . 1 . 2]" 1
323 1 31 LEU HG 1 32 THR H . . 5.500 5.610 5.595 5.625 0.125 5 0 "[ . 1 . 2]" 1
324 1 3 LYS QB 1 12 TYR HB3 . . 3.730 3.780 3.478 4.123 0.393 20 0 "[ . 1 . 2]" 1
325 1 15 CYS HB3 1 16 PRO HD3 . . 4.260 3.849 3.561 4.079 . 0 0 "[ . 1 . 2]" 1
326 1 51 LYS HG2 1 52 TYR H . . 4.790 2.586 2.548 2.628 . 0 0 "[ . 1 . 2]" 1
327 1 25 MET HA 1 25 MET HG3 . . 3.670 3.100 2.959 3.226 . 0 0 "[ . 1 . 2]" 1
328 1 7 LEU HA 1 37 ARG HD3 . . 4.140 2.779 2.648 2.890 . 0 0 "[ . 1 . 2]" 1
329 1 7 LEU HA 1 37 ARG HB2 . . 3.670 3.708 3.589 3.756 0.086 10 0 "[ . 1 . 2]" 1
330 1 16 PRO HG2 1 19 LYS HG2 . . 3.950 1.902 1.866 1.979 . 0 0 "[ . 1 . 2]" 1
331 1 23 TYR QE 1 38 GLY HA3 . . 7.630 2.918 2.795 3.075 . 0 0 "[ . 1 . 2]" 1
332 1 43 CYS HB2 1 54 CYS HB3 . . 3.950 3.082 2.912 3.342 . 0 0 "[ . 1 . 2]" 1
333 1 21 LEU QB 1 54 CYS HB3 . . 3.450 2.498 2.318 2.783 . 0 0 "[ . 1 . 2]" 1
334 1 43 CYS HB2 1 54 CYS HB2 . . 2.400 2.605 2.488 2.882 0.482 12 0 "[ . 1 . 2]" 1
335 1 43 CYS HB2 1 44 PRO HD2 . . 4.880 4.031 3.947 4.117 . 0 0 "[ . 1 . 2]" 1
336 1 25 MET HA 1 25 MET HG2 . . 3.830 2.520 2.457 2.577 . 0 0 "[ . 1 . 2]" 1
337 1 61 ASN HB3 1 61 ASN HD22 . . 3.550 3.654 3.639 3.670 0.120 5 0 "[ . 1 . 2]" 1
338 1 37 ARG HB3 1 61 ASN HA . . 5.500 5.544 5.517 5.570 0.070 5 0 "[ . 1 . 2]" 1
339 1 40 ILE HA 1 40 ILE QG . . 2.740 2.180 2.173 2.185 . 0 0 "[ . 1 . 2]" 1
340 1 19 LYS QE 1 40 ILE HA . . 6.190 4.001 3.487 4.455 . 0 0 "[ . 1 . 2]" 1
341 1 2 LEU HB3 1 15 CYS HB2 . . 4.320 4.322 4.171 4.820 0.500 10 1 "[ . + . 2]" 1
342 1 24 LYS HB2 1 53 VAL H . . 5.500 5.090 5.031 5.137 . 0 0 "[ . 1 . 2]" 1
343 1 15 CYS HA 1 16 PRO HD3 . . 2.550 2.378 2.324 2.427 . 0 0 "[ . 1 . 2]" 1
344 1 16 PRO HD3 1 16 PRO HG2 . . 3.080 3.030 3.026 3.036 . 0 0 "[ . 1 . 2]" 1
345 1 24 LYS HD2 1 34 PRO QG . . 3.080 3.490 3.444 3.553 0.473 13 0 "[ . 1 . 2]" 1
346 1 9 PRO HB3 1 9 PRO HG3 . . 2.620 2.368 2.366 2.371 . 0 0 "[ . 1 . 2]" 1
347 1 19 LYS HB2 1 19 LYS QE . . 4.670 3.906 3.843 4.006 . 0 0 "[ . 1 . 2]" 1
348 1 19 LYS HB2 1 39 CYS HB2 . . 5.500 3.878 3.538 4.189 . 0 0 "[ . 1 . 2]" 1
349 1 16 PRO HD2 1 19 LYS HB2 . . 3.890 2.529 2.373 2.720 . 0 0 "[ . 1 . 2]" 1
350 1 36 LYS HG3 1 37 ARG HD3 . . 5.500 5.912 5.817 6.022 0.522 13 2 "[ . 1 + . -]" 1
351 1 37 ARG HB2 1 37 ARG HD3 . . 4.070 2.630 2.537 2.678 . 0 0 "[ . 1 . 2]" 1
352 1 16 PRO HG3 1 19 LYS QE . . 5.070 3.138 2.713 4.971 . 0 0 "[ . 1 . 2]" 1
353 1 5 ASN HB2 1 5 ASN HD22 . . 3.790 2.135 2.107 2.153 . 0 0 "[ . 1 . 2]" 1
354 1 24 LYS HB2 1 37 ARG HB2 . . 5.500 5.180 5.088 5.247 . 0 0 "[ . 1 . 2]" 1
355 1 21 LEU QB 1 54 CYS HB2 . . 4.350 3.777 3.638 3.980 . 0 0 "[ . 1 . 2]" 1
356 1 34 PRO HA 1 34 PRO HD3 . . 4.100 3.626 3.600 3.646 . 0 0 "[ . 1 . 2]" 1
357 1 26 PHE HZ 1 34 PRO HD3 . . 3.950 3.011 2.939 3.155 . 0 0 "[ . 1 . 2]" 1
358 1 43 CYS HA 1 44 PRO HD3 . . 2.590 2.329 2.292 2.361 . 0 0 "[ . 1 . 2]" 1
359 1 43 CYS HA 1 44 PRO HD2 . . 3.050 2.048 2.012 2.088 . 0 0 "[ . 1 . 2]" 1
360 1 23 TYR QD 1 25 MET HB2 . . 7.300 4.624 4.453 4.804 . 0 0 "[ . 1 . 2]" 1
361 1 24 LYS HG2 1 26 PHE HZ . . 4.910 4.592 4.502 4.693 . 0 0 "[ . 1 . 2]" 1
362 1 16 PRO HG2 1 40 ILE QG . . 5.500 5.760 5.486 5.968 0.468 4 0 "[ . 1 . 2]" 1
363 1 40 ILE QG 1 41 ASP H . . 3.210 1.935 1.898 1.999 . 0 0 "[ . 1 . 2]" 1
364 1 23 TYR QD 1 39 CYS HA . . 7.640 3.216 3.111 3.308 . 0 0 "[ . 1 . 2]" 1
365 1 28 MET HA 1 31 LEU HG . . 3.790 4.282 4.176 4.356 0.566 19 10 "[* . -** ** ** +*]" 1
366 1 28 MET HA 1 28 MET HG2 . . 3.700 2.930 2.914 2.955 . 0 0 "[ . 1 . 2]" 1
367 1 24 LYS HG2 1 61 ASN HB2 . . 5.440 3.182 3.058 3.271 . 0 0 "[ . 1 . 2]" 1
368 1 24 LYS HE2 1 61 ASN HB2 . . 3.330 2.645 2.473 2.811 . 0 0 "[ . 1 . 2]" 1
369 1 13 LYS QD 1 36 LYS QE . . 6.070 6.560 6.134 7.180 1.110 20 5 "[ . -1 ** . *+]" 1
370 1 17 GLU QG 1 18 GLY H . . 6.380 2.723 2.650 2.816 . 0 0 "[ . 1 . 2]" 1
371 1 34 PRO HB2 1 37 ARG HG3 . . 3.300 3.112 3.023 3.193 . 0 0 "[ . 1 . 2]" 1
372 1 44 PRO HA 1 44 PRO HD3 . . 4.570 3.598 3.558 3.640 . 0 0 "[ . 1 . 2]" 1
373 1 58 ASP HA 1 59 ARG HG2 . . 5.500 5.121 5.060 5.189 . 0 0 "[ . 1 . 2]" 1
374 1 8 VAL HA 1 9 PRO HD3 . . 2.800 2.048 1.717 2.149 . 0 0 "[ . 1 . 2]" 1
375 1 23 TYR QD 1 36 LYS HB3 . . 7.450 5.646 5.461 5.884 . 0 0 "[ . 1 . 2]" 1
376 1 49 LEU HA 1 49 LEU HG . . 3.210 3.079 3.076 3.083 . 0 0 "[ . 1 . 2]" 1
377 1 51 LYS HG3 1 52 TYR H . . 4.540 2.721 2.706 2.740 . 0 0 "[ . 1 . 2]" 1
378 1 37 ARG HB3 1 37 ARG HD2 . . 4.100 4.194 4.184 4.238 0.138 19 0 "[ . 1 . 2]" 1
379 1 24 LYS HG3 1 53 VAL HB . . 3.610 2.236 2.150 2.334 . 0 0 "[ . 1 . 2]" 1
380 1 24 LYS HD3 1 53 VAL HB . . 4.970 3.964 3.871 4.080 . 0 0 "[ . 1 . 2]" 1
381 1 27 MET HB3 1 27 MET HG2 . . 3.110 2.452 2.447 2.462 . 0 0 "[ . 1 . 2]" 1
382 1 27 MET HB2 1 27 MET HG2 . . 3.110 3.034 3.032 3.034 . 0 0 "[ . 1 . 2]" 1
383 1 34 PRO HA 1 34 PRO HD2 . . 4.570 4.058 4.056 4.063 . 0 0 "[ . 1 . 2]" 1
384 1 33 ILE HA 1 34 PRO HD2 . . 2.830 2.057 1.991 2.076 . 0 0 "[ . 1 . 2]" 1
385 1 23 TYR QD 1 25 MET HB3 . . 6.900 5.122 5.013 5.233 . 0 0 "[ . 1 . 2]" 1
386 1 24 LYS HD3 1 26 PHE QE . . 7.620 2.885 2.811 2.986 . 0 0 "[ . 1 . 2]" 1
387 1 23 TYR HB3 1 44 PRO HD2 . . 5.500 3.881 3.609 4.272 . 0 0 "[ . 1 . 2]" 1
388 1 27 MET HA 1 27 MET HG3 . . 4.380 3.047 3.038 3.058 . 0 0 "[ . 1 . 2]" 1
389 1 27 MET HA 1 27 MET HG2 . . 4.320 2.544 2.527 2.557 . 0 0 "[ . 1 . 2]" 1
390 1 24 LYS HE2 1 61 ASN HA . . 3.730 3.261 3.019 3.469 . 0 0 "[ . 1 . 2]" 1
391 1 24 LYS HD2 1 61 ASN HA . . 4.140 4.297 4.262 4.407 0.267 10 0 "[ . 1 . 2]" 1
392 1 7 LEU HA 1 37 ARG HG2 . . 5.500 5.035 4.929 5.084 . 0 0 "[ . 1 . 2]" 1
393 1 37 ARG HA 1 37 ARG HG2 . . 3.520 3.428 3.406 3.455 . 0 0 "[ . 1 . 2]" 1
394 1 16 PRO HG3 1 39 CYS HB2 . . 4.380 3.910 3.751 4.160 . 0 0 "[ . 1 . 2]" 1
395 1 2 LEU HB2 1 20 ASN QB . . 5.500 5.440 4.922 5.915 0.415 17 0 "[ . 1 . 2]" 1
396 1 24 LYS HB2 1 24 LYS HE2 . . 3.580 2.556 2.472 2.675 . 0 0 "[ . 1 . 2]" 1
397 1 24 LYS HE2 1 24 LYS HG2 . . 3.640 3.238 3.162 3.269 . 0 0 "[ . 1 . 2]" 1
398 1 2 LEU HB2 1 20 ASN HA . . 5.380 3.533 2.986 3.992 . 0 0 "[ . 1 . 2]" 1
399 1 8 VAL HA 1 9 PRO HD2 . . 2.860 2.209 2.098 2.603 . 0 0 "[ . 1 . 2]" 1
400 1 9 PRO HD2 1 9 PRO HG3 . . 3.080 2.795 2.727 3.049 . 0 0 "[ . 1 . 2]" 1
401 1 43 CYS HA 1 44 PRO HG2 . . 5.500 4.293 4.263 4.325 . 0 0 "[ . 1 . 2]" 1
402 1 59 ARG HA 1 59 ARG HG2 . . 3.830 2.423 2.399 2.460 . 0 0 "[ . 1 . 2]" 1
403 1 21 LEU H 1 21 LEU HG . . 4.880 2.276 2.178 2.418 . 0 0 "[ . 1 . 2]" 1
404 1 28 MET HG2 1 50 VAL HA . . 4.230 3.793 3.678 3.872 . 0 0 "[ . 1 . 2]" 1
405 1 23 TYR QD 1 36 LYS HB2 . . 7.330 5.507 5.290 5.704 . 0 0 "[ . 1 . 2]" 1
406 1 33 ILE HB 1 33 ILE HG13 . . 2.740 2.388 2.381 2.425 . 0 0 "[ . 1 . 2]" 1
407 1 19 LYS HA 1 41 ASP QB . . 4.830 2.005 1.914 2.099 . 0 0 "[ . 1 . 2]" 1
408 1 3 LYS QB 1 58 ASP HB3 . . 5.500 3.954 2.880 4.060 . 0 0 "[ . 1 . 2]" 1
409 1 3 LYS QB 1 12 TYR QD . . 7.640 2.480 2.317 2.794 . 0 0 "[ . 1 . 2]" 1
410 1 10 ILE H 1 10 ILE HG13 . . 4.940 2.774 2.709 3.262 . 0 0 "[ . 1 . 2]" 1
411 1 15 CYS HA 1 16 PRO HD2 . . 2.830 2.396 2.296 2.499 . 0 0 "[ . 1 . 2]" 1
412 1 16 PRO HD2 1 19 LYS HB3 . . 3.420 3.218 2.950 3.467 0.047 18 0 "[ . 1 . 2]" 1
413 1 16 PRO HD2 1 19 LYS QE . . 5.690 4.581 4.279 5.388 . 0 0 "[ . 1 . 2]" 1
414 1 16 PRO HD2 1 19 LYS HG2 . . 4.380 2.941 2.812 3.104 . 0 0 "[ . 1 . 2]" 1
415 1 16 PRO HB3 1 16 PRO HG3 . . 2.400 2.370 2.367 2.372 . 0 0 "[ . 1 . 2]" 1
416 1 26 PHE HB2 1 31 LEU HA . . 5.040 3.882 3.728 3.992 . 0 0 "[ . 1 . 2]" 1
417 1 31 LEU HA 1 31 LEU HG . . 4.070 3.155 3.097 3.212 . 0 0 "[ . 1 . 2]" 1
418 1 26 PHE QD 1 31 LEU HA . . 6.910 2.589 2.546 2.642 . 0 0 "[ . 1 . 2]" 1
419 1 26 PHE HB3 1 31 LEU HA . . 3.640 2.523 2.473 2.570 . 0 0 "[ . 1 . 2]" 1
420 1 23 TYR QE 1 38 GLY HA2 . . 7.260 4.338 4.249 4.455 . 0 0 "[ . 1 . 2]" 1
421 1 24 LYS HB3 1 53 VAL QG . . 4.360 4.826 4.777 4.894 0.534 20 3 "[- . 1 * . +]" 1
422 1 26 PHE HZ 1 53 VAL QG . . 3.990 3.455 3.327 3.600 . 0 0 "[ . 1 . 2]" 1
423 1 50 VAL H 1 50 VAL MG1 . . 4.390 2.921 2.905 2.935 . 0 0 "[ . 1 . 2]" 1
424 1 50 VAL MG1 1 52 TYR QE . . 7.140 4.733 4.721 4.771 . 0 0 "[ . 1 . 2]" 1
425 1 8 VAL H 1 8 VAL MG1 . . 4.330 3.735 3.725 3.793 . 0 0 "[ . 1 . 2]" 1
426 1 41 ASP HA 1 42 VAL MG1 . . 6.530 6.077 6.065 6.084 . 0 0 "[ . 1 . 2]" 1
427 1 23 TYR HB3 1 40 ILE MG . . 4.450 2.237 2.025 2.433 . 0 0 "[ . 1 . 2]" 1
428 1 21 LEU QB 1 40 ILE MG . . 4.330 2.482 2.257 2.709 . 0 0 "[ . 1 . 2]" 1
429 1 40 ILE H 1 40 ILE MG . . 4.200 2.574 2.566 2.586 . 0 0 "[ . 1 . 2]" 1
430 1 23 TYR QD 1 40 ILE MG . . 7.300 2.394 2.286 2.486 . 0 0 "[ . 1 . 2]" 1
431 1 40 ILE MG 1 41 ASP H . . 5.190 3.239 3.177 3.314 . 0 0 "[ . 1 . 2]" 1
432 1 39 CYS HB2 1 40 ILE MG . . 5.850 5.587 5.457 5.695 . 0 0 "[ . 1 . 2]" 1
433 1 23 TYR HB2 1 40 ILE MG . . 5.320 3.488 3.255 3.679 . 0 0 "[ . 1 . 2]" 1
434 1 9 PRO HB2 1 10 ILE MD . . 6.370 6.005 5.178 6.181 . 0 0 "[ . 1 . 2]" 1
435 1 14 THR MG 1 15 CYS H . . 4.330 2.521 2.361 2.616 . 0 0 "[ . 1 . 2]" 1
436 1 7 LEU MD2 1 36 LYS HG3 . . 4.610 4.612 4.420 4.659 0.049 15 0 "[ . 1 . 2]" 1
437 1 42 VAL MG2 1 43 CYS H . . 4.730 4.067 4.043 4.100 . 0 0 "[ . 1 . 2]" 1
438 1 42 VAL H 1 42 VAL MG2 . . 4.480 2.658 2.649 2.668 . 0 0 "[ . 1 . 2]" 1
439 1 27 MET HG3 1 35 VAL MG2 . . 5.040 2.468 2.253 2.627 . 0 0 "[ . 1 . 2]" 1
440 1 35 VAL MG2 1 36 LYS QE . . 6.720 4.794 4.720 4.918 . 0 0 "[ . 1 . 2]" 1
441 1 27 MET HG2 1 35 VAL MG2 . . 4.080 3.648 3.578 3.779 . 0 0 "[ . 1 . 2]" 1
442 1 35 VAL MG2 1 36 LYS HD3 . . 4.390 3.894 3.702 4.121 . 0 0 "[ . 1 . 2]" 1
443 1 35 VAL H 1 35 VAL MG2 . . 4.390 2.020 2.014 2.033 . 0 0 "[ . 1 . 2]" 1
444 1 21 LEU MD1 1 54 CYS HB3 . . 5.130 2.987 2.701 3.238 . 0 0 "[ . 1 . 2]" 1
445 1 53 VAL QG 1 54 CYS H . . 4.610 2.585 2.517 2.628 . 0 0 "[ . 1 . 2]" 1
446 1 25 MET HG2 1 50 VAL MG1 . . 5.940 5.329 5.055 5.562 . 0 0 "[ . 1 . 2]" 1
447 1 21 LEU MD1 1 56 ASN HA . . 4.200 4.271 4.214 4.308 0.108 17 0 "[ . 1 . 2]" 1
448 1 48 LEU HA 1 48 LEU MD2 . . 3.830 2.002 2.000 2.005 . 0 0 "[ . 1 . 2]" 1
449 1 33 ILE MD 1 34 PRO QG . . 5.350 4.267 4.099 4.300 . 0 0 "[ . 1 . 2]" 1
450 1 40 ILE MD 1 44 PRO HD3 . . 4.920 1.817 1.775 1.844 . 0 0 "[ . 1 . 2]" 1
451 1 40 ILE MD 1 44 PRO HG3 . . 4.790 2.839 2.759 2.924 . 0 0 "[ . 1 . 2]" 1
452 1 40 ILE MD 1 41 ASP H . . 5.440 3.630 3.595 3.693 . 0 0 "[ . 1 . 2]" 1
453 1 23 TYR QE 1 40 ILE HA . . 6.220 4.414 4.284 4.509 . 0 0 "[ . 1 . 2]" 1
454 1 23 TYR QE 1 40 ILE HB . . 4.910 3.052 2.825 3.219 . 0 0 "[ . 1 . 2]" 1
455 1 40 ILE HA 1 40 ILE HB . . 2.740 2.556 2.551 2.560 . 0 0 "[ . 1 . 2]" 1
456 1 21 LEU QB 1 40 ILE H . . 4.210 3.355 3.213 3.580 . 0 0 "[ . 1 . 2]" 1
457 1 23 TYR QE 1 40 ILE H . . 7.330 4.624 4.454 4.815 . 0 0 "[ . 1 . 2]" 1
458 1 28 MET HB2 1 49 LEU HA . . 3.830 3.921 3.897 3.935 0.105 9 0 "[ . 1 . 2]" 1
459 1 28 MET HG2 1 49 LEU HA . . 3.610 2.921 2.828 2.996 . 0 0 "[ . 1 . 2]" 1
460 1 24 LYS H 1 53 VAL HB . . 4.720 3.304 3.212 3.414 . 0 0 "[ . 1 . 2]" 1
461 1 26 PHE QE 1 53 VAL HB . . 6.570 2.503 2.385 2.597 . 0 0 "[ . 1 . 2]" 1
462 1 24 LYS H 1 53 VAL H . . 2.620 2.757 2.718 2.792 0.172 5 0 "[ . 1 . 2]" 1
463 1 25 MET HA 1 53 VAL H . . 3.490 3.664 3.608 3.749 0.259 1 0 "[ . 1 . 2]" 1
464 1 24 LYS H 1 53 VAL QG . . 6.530 3.811 3.756 3.869 . 0 0 "[ . 1 . 2]" 1
465 1 26 PHE QE 1 53 VAL QG . . 6.520 2.115 2.086 2.157 . 0 0 "[ . 1 . 2]" 1
466 1 26 PHE QD 1 53 VAL QG . . 7.150 2.844 2.720 2.946 . 0 0 "[ . 1 . 2]" 1
467 1 23 TYR HA 1 54 CYS HB3 . . 5.500 3.746 3.633 3.820 . 0 0 "[ . 1 . 2]" 1
468 1 7 LEU MD1 1 36 LYS HG2 . . 4.080 4.149 4.109 4.193 0.113 17 0 "[ . 1 . 2]" 1
469 1 35 VAL MG1 1 36 LYS H . . 5.010 4.000 3.947 4.034 . 0 0 "[ . 1 . 2]" 1
470 1 27 MET HA 1 35 VAL MG1 . . 6.530 4.807 4.712 4.980 . 0 0 "[ . 1 . 2]" 1
471 1 35 VAL H 1 35 VAL MG1 . . 3.990 2.680 2.594 2.741 . 0 0 "[ . 1 . 2]" 1
472 1 21 LEU MD1 1 54 CYS HB2 . . 5.780 3.295 3.047 3.612 . 0 0 "[ . 1 . 2]" 1
473 1 33 ILE MG 1 34 PRO HD2 . . 4.700 2.253 2.194 2.304 . 0 0 "[ . 1 . 2]" 1
474 1 42 VAL MG1 1 43 CYS HA . . 6.190 4.150 4.129 4.189 . 0 0 "[ . 1 . 2]" 1
475 1 21 LEU MD2 1 56 ASN HB2 . . 4.360 2.524 2.467 2.589 . 0 0 "[ . 1 . 2]" 1
476 1 21 LEU MD2 1 54 CYS HB3 . . 4.700 4.189 4.012 4.537 . 0 0 "[ . 1 . 2]" 1
477 1 21 LEU MD2 1 56 ASN HA . . 4.540 2.149 2.079 2.217 . 0 0 "[ . 1 . 2]" 1
478 1 21 LEU MD2 1 54 CYS HB2 . . 5.190 4.745 4.576 5.135 . 0 0 "[ . 1 . 2]" 1
479 1 21 LEU HA 1 21 LEU MD2 . . 3.830 2.100 2.076 2.132 . 0 0 "[ . 1 . 2]" 1
480 1 20 ASN QB 1 21 LEU MD2 . . 4.360 2.910 2.801 2.983 . 0 0 "[ . 1 . 2]" 1
481 1 21 LEU MD2 1 56 ASN HB3 . . 4.510 2.176 2.048 2.259 . 0 0 "[ . 1 . 2]" 1
482 1 31 LEU MD1 1 51 LYS HB3 . . 5.600 3.534 3.334 3.759 . 0 0 "[ . 1 . 2]" 1
483 1 49 LEU HA 1 49 LEU QD . . 3.800 1.993 1.989 1.996 . 0 0 "[ . 1 . 2]" 1
484 1 7 LEU MD1 1 37 ARG HG3 . . 5.070 5.034 4.884 5.106 0.036 20 0 "[ . 1 . 2]" 1
485 1 11 ALA MB 1 12 TYR H . . 4.420 3.076 2.936 3.255 . 0 0 "[ . 1 . 2]" 1
486 1 2 LEU QD 1 3 LYS H . . 6.530 3.176 2.833 3.251 . 0 0 "[ . 1 . 2]" 1
487 1 7 LEU MD2 1 36 LYS HA . . 5.320 3.946 3.844 4.135 . 0 0 "[ . 1 . 2]" 1
488 1 7 LEU MD2 1 36 LYS HG2 . . 4.170 3.845 3.699 4.067 . 0 0 "[ . 1 . 2]" 1
489 1 7 LEU MD2 1 35 VAL HA . . 5.260 3.923 3.763 4.067 . 0 0 "[ . 1 . 2]" 1
490 1 6 LYS HB2 1 11 ALA MB . . 6.530 2.846 2.651 3.189 . 0 0 "[ . 1 . 2]" 1
491 1 27 MET HG2 1 35 VAL MG1 . . 4.450 4.109 3.904 4.287 . 0 0 "[ . 1 . 2]" 1
492 1 33 ILE MD 1 34 PRO HB3 . . 5.810 5.928 5.823 5.940 0.130 9 0 "[ . 1 . 2]" 1
493 1 57 THR H 1 57 THR MG . . 4.420 3.002 2.975 3.040 . 0 0 "[ . 1 . 2]" 1
494 1 56 ASN H 1 57 THR MG . . 4.980 3.329 3.293 3.365 . 0 0 "[ . 1 . 2]" 1
495 1 57 THR HA 1 57 THR MG . . 3.430 2.373 2.364 2.383 . 0 0 "[ . 1 . 2]" 1
496 1 40 ILE QG 1 42 VAL MG1 . . 6.400 4.693 4.636 4.753 . 0 0 "[ . 1 . 2]" 1
497 1 21 LEU MD1 1 57 THR MG . . 7.560 7.157 7.105 7.194 . 0 0 "[ . 1 . 2]" 1
498 1 10 ILE HG12 1 10 ILE MG . . 3.710 2.311 2.300 2.387 . 0 0 "[ . 1 . 2]" 1
499 1 10 ILE MG 1 11 ALA H . . 5.780 4.304 4.067 4.346 . 0 0 "[ . 1 . 2]" 1
500 1 2 LEU QD 1 4 CYS HB2 . . 6.400 6.465 6.019 6.630 0.230 8 0 "[ . 1 . 2]" 1
501 1 2 LEU QD 1 20 ASN HA . . 4.360 2.207 1.868 3.452 . 0 0 "[ . 1 . 2]" 1
502 1 7 LEU MD1 1 36 LYS HA . . 4.450 3.027 2.914 3.196 . 0 0 "[ . 1 . 2]" 1
503 1 7 LEU MD1 1 36 LYS HG3 . . 6.530 4.599 4.400 4.692 . 0 0 "[ . 1 . 2]" 1
504 1 7 LEU HA 1 7 LEU MD1 . . 3.950 2.086 2.014 2.235 . 0 0 "[ . 1 . 2]" 1
505 1 32 THR H 1 32 THR MG . . 3.990 3.724 3.722 3.726 . 0 0 "[ . 1 . 2]" 1
506 1 41 ASP QB 1 42 VAL MG2 . . 5.420 2.937 2.815 3.015 . 0 0 "[ . 1 . 2]" 1
507 1 21 LEU MD1 1 41 ASP QB . . 7.400 5.034 4.930 5.127 . 0 0 "[ . 1 . 2]" 1
508 1 2 LEU QD 1 56 ASN HB3 . . 6.250 5.931 5.003 6.135 . 0 0 "[ . 1 . 2]" 1
509 1 42 VAL HA 1 42 VAL MG2 . . 3.740 2.404 2.400 2.405 . 0 0 "[ . 1 . 2]" 1
510 1 31 LEU H 1 31 LEU MD1 . . 4.950 2.705 2.648 2.775 . 0 0 "[ . 1 . 2]" 1
511 1 26 PHE HB2 1 31 LEU MD1 . . 4.260 2.997 2.871 3.147 . 0 0 "[ . 1 . 2]" 1
512 1 26 PHE HB3 1 31 LEU MD1 . . 4.140 2.280 2.226 2.338 . 0 0 "[ . 1 . 2]" 1
513 1 28 MET HA 1 31 LEU MD1 . . 3.830 1.893 1.855 1.925 . 0 0 "[ . 1 . 2]" 1
514 1 31 LEU MD1 1 34 PRO HB3 . . 6.530 6.601 6.579 6.615 0.085 16 0 "[ . 1 . 2]" 1
515 1 31 LEU HA 1 31 LEU MD1 . . 3.580 1.667 1.661 1.673 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.933
_Distance_constraint_stats_list.Viol_max 0.012
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0093
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 CYS 0.047 0.012 14 0 "[ . 1 . 2]"
1 60 CYS 0.047 0.012 14 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 4 CYS SG 1 22 CYS SG . . 2.100 2.016 2.010 2.020 . 0 0 "[ . 1 . 2]" 2
2 1 4 CYS SG 1 22 CYS CB . . 3.100 3.001 2.962 3.037 . 0 0 "[ . 1 . 2]" 2
3 1 4 CYS CB 1 22 CYS SG . . 3.100 3.036 3.021 3.041 . 0 0 "[ . 1 . 2]" 2
4 1 15 CYS SG 1 39 CYS SG . . 2.100 2.024 2.019 2.030 . 0 0 "[ . 1 . 2]" 2
5 1 15 CYS SG 1 39 CYS CB . . 3.100 2.901 2.613 2.978 . 0 0 "[ . 1 . 2]" 2
6 1 15 CYS CB 1 39 CYS SG . . 3.100 3.033 3.007 3.048 . 0 0 "[ . 1 . 2]" 2
7 1 43 CYS SG 1 54 CYS SG . . 2.100 2.021 2.018 2.026 . 0 0 "[ . 1 . 2]" 2
8 1 43 CYS SG 1 54 CYS CB . . 3.100 3.008 2.978 3.043 . 0 0 "[ . 1 . 2]" 2
9 1 43 CYS CB 1 54 CYS SG . . 3.100 2.757 2.624 2.977 . 0 0 "[ . 1 . 2]" 2
10 1 55 CYS SG 1 60 CYS SG . . 2.100 2.020 2.015 2.025 . 0 0 "[ . 1 . 2]" 2
11 1 55 CYS SG 1 60 CYS CB . . 3.100 3.038 3.025 3.045 . 0 0 "[ . 1 . 2]" 2
12 1 55 CYS CB 1 60 CYS SG . . 3.100 3.087 3.066 3.112 0.012 14 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 88
_Distance_constraint_stats_list.Viol_count 169
_Distance_constraint_stats_list.Viol_total 630.534
_Distance_constraint_stats_list.Viol_max 0.577
_Distance_constraint_stats_list.Viol_rms 0.0767
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0179
_Distance_constraint_stats_list.Viol_average_violations_only 0.1865
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 CYS 0.051 0.033 13 0 "[ . 1 . 2]"
1 5 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 0.847 0.071 1 0 "[ . 1 . 2]"
1 11 ALA 0.847 0.071 1 0 "[ . 1 . 2]"
1 13 LYS 0.051 0.033 13 0 "[ . 1 . 2]"
1 15 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 1.469 0.153 10 0 "[ . 1 . 2]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 MET 18.347 0.577 19 11 "[* - . ** ** *** +*]"
1 26 PHE 1.485 0.098 2 0 "[ . 1 . 2]"
1 28 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LYS 18.347 0.577 19 11 "[* - . ** ** *** +*]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ILE 1.469 0.153 10 0 "[ . 1 . 2]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 SER 1.490 0.098 19 0 "[ . 1 . 2]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 1.490 0.098 19 0 "[ . 1 . 2]"
1 51 LYS 1.485 0.098 2 0 "[ . 1 . 2]"
1 52 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 CYS 7.838 0.455 2 0 "[ . 1 . 2]"
1 57 THR 7.838 0.455 2 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 CYS H 1 13 LYS O . . 2.200 2.121 2.026 2.233 0.033 13 0 "[ . 1 . 2]" 3
2 1 4 CYS H 1 13 LYS C . . 3.500 3.308 3.226 3.435 . 0 0 "[ . 1 . 2]" 3
3 1 4 CYS N 1 13 LYS O . . 3.300 3.072 2.981 3.199 . 0 0 "[ . 1 . 2]" 3
4 1 6 LYS H 1 11 ALA O . . 2.200 1.908 1.822 2.060 . 0 0 "[ . 1 . 2]" 3
5 1 6 LYS H 1 11 ALA C . . 3.500 3.055 2.949 3.214 . 0 0 "[ . 1 . 2]" 3
6 1 6 LYS N 1 11 ALA O . . 3.300 2.901 2.814 3.052 . 0 0 "[ . 1 . 2]" 3
7 1 8 VAL O 1 11 ALA H . . 2.200 2.241 2.171 2.271 0.071 1 0 "[ . 1 . 2]" 3
8 1 8 VAL C 1 11 ALA H . . 3.500 3.039 2.988 3.183 . 0 0 "[ . 1 . 2]" 3
9 1 8 VAL O 1 11 ALA N . . 3.300 3.135 3.071 3.189 . 0 0 "[ . 1 . 2]" 3
10 1 4 CYS O 1 13 LYS H . . 2.200 1.915 1.822 2.075 . 0 0 "[ . 1 . 2]" 3
11 1 4 CYS C 1 13 LYS H . . 3.500 3.059 2.950 3.237 . 0 0 "[ . 1 . 2]" 3
12 1 4 CYS O 1 13 LYS N . . 3.300 2.807 2.727 2.949 . 0 0 "[ . 1 . 2]" 3
13 1 2 LEU O 1 15 CYS H . . 2.200 1.867 1.797 1.991 . 0 0 "[ . 1 . 2]" 3
14 1 2 LEU C 1 15 CYS H . . 3.500 2.947 2.893 3.108 . 0 0 "[ . 1 . 2]" 3
15 1 2 LEU O 1 15 CYS N . . 3.300 2.853 2.775 2.978 . 0 0 "[ . 1 . 2]" 3
16 1 16 PRO O 1 19 LYS H . . 2.200 2.078 1.954 2.182 . 0 0 "[ . 1 . 2]" 3
17 1 16 PRO C 1 19 LYS H . . 3.500 3.062 2.922 3.167 . 0 0 "[ . 1 . 2]" 3
18 1 16 PRO O 1 19 LYS N . . 3.300 3.029 2.883 3.142 . 0 0 "[ . 1 . 2]" 3
19 1 20 ASN H 1 40 ILE O . . 2.200 2.273 2.241 2.353 0.153 10 0 "[ . 1 . 2]" 3
20 1 20 ASN H 1 40 ILE C . . 3.500 3.063 2.953 3.132 . 0 0 "[ . 1 . 2]" 3
21 1 20 ASN N 1 40 ILE O . . 3.300 3.248 3.209 3.302 0.002 10 0 "[ . 1 . 2]" 3
22 1 21 LEU H 1 40 ILE O . . 2.200 1.953 1.902 1.995 . 0 0 "[ . 1 . 2]" 3
23 1 21 LEU H 1 40 ILE C . . 3.500 3.149 3.089 3.188 . 0 0 "[ . 1 . 2]" 3
24 1 21 LEU N 1 40 ILE O . . 3.300 2.796 2.751 2.857 . 0 0 "[ . 1 . 2]" 3
25 1 22 CYS H 1 55 CYS O . . 2.200 1.857 1.810 1.914 . 0 0 "[ . 1 . 2]" 3
26 1 22 CYS H 1 55 CYS C . . 3.500 3.038 2.988 3.103 . 0 0 "[ . 1 . 2]" 3
27 1 22 CYS N 1 55 CYS O . . 3.300 2.856 2.809 2.911 . 0 0 "[ . 1 . 2]" 3
28 1 23 TYR H 1 38 GLY O . . 2.200 1.933 1.893 1.969 . 0 0 "[ . 1 . 2]" 3
29 1 23 TYR H 1 38 GLY C . . 3.500 3.067 3.013 3.117 . 0 0 "[ . 1 . 2]" 3
30 1 23 TYR N 1 38 GLY O . . 3.300 2.911 2.857 2.954 . 0 0 "[ . 1 . 2]" 3
31 1 24 LYS H 1 53 VAL O . . 2.200 1.764 1.747 1.772 . 0 0 "[ . 1 . 2]" 3
32 1 24 LYS H 1 53 VAL C . . 3.500 2.914 2.900 2.927 . 0 0 "[ . 1 . 2]" 3
33 1 24 LYS N 1 53 VAL O . . 3.300 2.690 2.674 2.706 . 0 0 "[ . 1 . 2]" 3
34 1 25 MET H 1 36 LYS O . . 2.200 1.804 1.769 1.843 . 0 0 "[ . 1 . 2]" 3
35 1 25 MET H 1 36 LYS C . . 3.500 2.974 2.935 3.026 . 0 0 "[ . 1 . 2]" 3
36 1 25 MET N 1 36 LYS O . . 3.300 2.740 2.684 2.797 . 0 0 "[ . 1 . 2]" 3
37 1 26 PHE H 1 51 LYS O . . 2.200 1.888 1.852 1.925 . 0 0 "[ . 1 . 2]" 3
38 1 26 PHE H 1 51 LYS C . . 3.500 2.953 2.933 2.973 . 0 0 "[ . 1 . 2]" 3
39 1 26 PHE N 1 51 LYS O . . 3.300 2.846 2.816 2.878 . 0 0 "[ . 1 . 2]" 3
40 1 28 MET H 1 49 LEU O . . 2.200 2.121 2.097 2.173 . 0 0 "[ . 1 . 2]" 3
41 1 28 MET H 1 49 LEU C . . 3.500 3.332 3.301 3.389 . 0 0 "[ . 1 . 2]" 3
42 1 28 MET N 1 49 LEU O . . 3.300 3.049 3.027 3.083 . 0 0 "[ . 1 . 2]" 3
43 1 25 MET O 1 35 VAL H . . 2.200 1.735 1.702 1.767 . 0 0 "[ . 1 . 2]" 3
44 1 25 MET C 1 35 VAL H . . 3.500 2.936 2.893 2.994 . 0 0 "[ . 1 . 2]" 3
45 1 25 MET O 1 35 VAL N . . 3.300 2.678 2.633 2.735 . 0 0 "[ . 1 . 2]" 3
46 1 25 MET O 1 36 LYS H . . 2.200 2.701 2.619 2.777 0.577 19 11 "[* - . ** ** *** +*]" 3
47 1 25 MET C 1 36 LYS H . . 3.500 3.586 3.553 3.637 0.137 3 0 "[ . 1 . 2]" 3
48 1 25 MET O 1 36 LYS N . . 3.300 3.631 3.549 3.708 0.408 19 0 "[ . 1 . 2]" 3
49 1 23 TYR O 1 38 GLY H . . 2.200 2.129 2.100 2.165 . 0 0 "[ . 1 . 2]" 3
50 1 23 TYR C 1 38 GLY H . . 3.500 3.257 3.229 3.289 . 0 0 "[ . 1 . 2]" 3
51 1 23 TYR O 1 38 GLY N . . 3.300 3.067 3.041 3.099 . 0 0 "[ . 1 . 2]" 3
52 1 21 LEU O 1 40 ILE H . . 2.200 1.930 1.892 1.970 . 0 0 "[ . 1 . 2]" 3
53 1 21 LEU C 1 40 ILE H . . 3.500 3.007 2.959 3.058 . 0 0 "[ . 1 . 2]" 3
54 1 21 LEU O 1 40 ILE N . . 3.300 2.891 2.855 2.927 . 0 0 "[ . 1 . 2]" 3
55 1 47 SER H 1 50 VAL O . . 2.200 2.102 2.074 2.128 . 0 0 "[ . 1 . 2]" 3
56 1 47 SER H 1 50 VAL C . . 3.500 3.308 3.283 3.335 . 0 0 "[ . 1 . 2]" 3
57 1 47 SER N 1 50 VAL O . . 3.300 3.014 2.992 3.037 . 0 0 "[ . 1 . 2]" 3
58 1 26 PHE O 1 51 LYS H . . 2.200 2.274 2.241 2.298 0.098 2 0 "[ . 1 . 2]" 3
59 1 26 PHE C 1 51 LYS H . . 3.500 2.882 2.855 2.925 . 0 0 "[ . 1 . 2]" 3
60 1 26 PHE O 1 51 LYS N . . 3.300 3.098 3.062 3.127 . 0 0 "[ . 1 . 2]" 3
61 1 24 LYS O 1 53 VAL H . . 2.200 1.989 1.957 2.015 . 0 0 "[ . 1 . 2]" 3
62 1 24 LYS C 1 53 VAL H . . 3.500 3.165 3.130 3.185 . 0 0 "[ . 1 . 2]" 3
63 1 24 LYS O 1 53 VAL N . . 3.300 2.975 2.942 3.003 . 0 0 "[ . 1 . 2]" 3
64 1 22 CYS O 1 55 CYS H . . 2.200 1.897 1.849 1.924 . 0 0 "[ . 1 . 2]" 3
65 1 22 CYS C 1 55 CYS H . . 3.500 3.001 2.983 3.030 . 0 0 "[ . 1 . 2]" 3
66 1 22 CYS O 1 55 CYS N . . 3.300 2.738 2.707 2.796 . 0 0 "[ . 1 . 2]" 3
67 1 55 CYS O 1 57 THR H . . 2.200 2.587 2.479 2.655 0.455 2 0 "[ . 1 . 2]" 3
68 1 55 CYS C 1 57 THR H . . 3.500 2.539 2.484 2.576 . 0 0 "[ . 1 . 2]" 3
69 1 55 CYS O 1 57 THR N . . 3.300 3.266 3.180 3.320 0.020 2 0 "[ . 1 . 2]" 3
70 1 3 LYS O 1 59 ARG H . . 2.200 2.000 1.876 2.085 . 0 0 "[ . 1 . 2]" 3
71 1 3 LYS C 1 59 ARG H . . 3.500 3.067 3.001 3.130 . 0 0 "[ . 1 . 2]" 3
72 1 3 LYS O 1 59 ARG N . . 3.300 2.884 2.745 2.961 . 0 0 "[ . 1 . 2]" 3
73 1 3 LYS H 1 58 ASP OD1 . . 2.200 1.973 1.904 2.028 . 0 0 "[ . 1 . 2]" 3
74 1 3 LYS H 1 58 ASP CG . . 3.500 2.996 2.921 3.107 . 0 0 "[ . 1 . 2]" 3
75 1 3 LYS N 1 58 ASP OD1 . . 3.300 2.953 2.871 3.022 . 0 0 "[ . 1 . 2]" 3
76 1 5 ASN H 1 61 ASN OD1 . . 2.200 1.998 1.911 2.053 . 0 0 "[ . 1 . 2]" 3
77 1 5 ASN H 1 61 ASN CG . . 3.300 2.964 2.913 3.023 . 0 0 "[ . 1 . 2]" 3
78 1 5 ASN N 1 61 ASN OD1 . . 3.500 2.968 2.894 3.035 . 0 0 "[ . 1 . 2]" 3
79 1 5 ASN HD22 1 61 ASN C . . 3.300 2.880 2.626 3.104 . 0 0 "[ . 1 . 2]" 3
80 1 23 TYR O 1 61 ASN HD21 . . 2.200 1.744 1.707 1.784 . 0 0 "[ . 1 . 2]" 3
81 1 23 TYR C 1 61 ASN HD21 . . 3.500 2.322 2.290 2.347 . 0 0 "[ . 1 . 2]" 3
82 1 23 TYR O 1 61 ASN ND2 . . 3.300 2.577 2.547 2.606 . 0 0 "[ . 1 . 2]" 3
83 1 47 SER HG 1 50 VAL H . . 2.200 2.275 2.256 2.298 0.098 19 0 "[ . 1 . 2]" 3
84 1 47 SER OG 1 50 VAL N . . 3.500 2.963 2.942 2.978 . 0 0 "[ . 1 . 2]" 3
85 1 47 SER HG 1 50 VAL N . . 3.300 3.050 3.024 3.073 . 0 0 "[ . 1 . 2]" 3
86 1 46 ASN OD1 1 52 TYR H . . 2.200 1.904 1.884 1.936 . 0 0 "[ . 1 . 2]" 3
87 1 46 ASN OD1 1 52 TYR N . . 3.500 2.865 2.852 2.899 . 0 0 "[ . 1 . 2]" 3
88 1 46 ASN CG 1 52 TYR H . . 3.300 2.856 2.828 2.918 . 0 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 3:03:13 PM GMT (wattos1)