NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
469659 |
1ahl   |
5 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ahl
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 456
_Distance_constraint_stats_list.Viol_count 1345
_Distance_constraint_stats_list.Viol_total 1700.334
_Distance_constraint_stats_list.Viol_max 0.967
_Distance_constraint_stats_list.Viol_rms 0.0409
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0632
_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 VAL 0.723 0.078 15 0 "[ . 1 . 2]"
1 3 SER 3.063 0.171 10 0 "[ . 1 . 2]"
1 4 CYS 5.636 0.772 5 4 "[ * + * . - 2]"
1 5 LEU 1.768 0.149 2 0 "[ . 1 . 2]"
1 6 CYS 2.507 0.835 3 1 "[ + . 1 . 2]"
1 7 ASP 1.256 0.109 20 0 "[ . 1 . 2]"
1 8 SER 1.127 0.109 20 0 "[ . 1 . 2]"
1 9 ASP 0.604 0.102 13 0 "[ . 1 . 2]"
1 10 GLY 0.237 0.102 13 0 "[ . 1 . 2]"
1 11 PRO 0.041 0.038 8 0 "[ . 1 . 2]"
1 12 SER 0.376 0.060 17 0 "[ . 1 . 2]"
1 13 VAL 1.332 0.175 4 0 "[ . 1 . 2]"
1 14 ARG 1.277 0.175 4 0 "[ . 1 . 2]"
1 15 GLY 0.020 0.020 15 0 "[ . 1 . 2]"
1 16 ASN 1.602 0.087 10 0 "[ . 1 . 2]"
1 17 THR 0.925 0.075 7 0 "[ . 1 . 2]"
1 18 LEU 3.134 0.171 10 0 "[ . 1 . 2]"
1 19 SER 2.561 0.835 3 1 "[ + . 1 . 2]"
1 20 GLY 3.699 0.152 3 0 "[ . 1 . 2]"
1 21 THR 10.790 0.772 5 4 "[ * + * . - 2]"
1 22 LEU 4.948 0.168 8 0 "[ . 1 . 2]"
1 23 TRP 5.316 0.141 3 0 "[ . 1 . 2]"
1 24 LEU 3.993 0.098 9 0 "[ . 1 . 2]"
1 25 TYR 5.244 0.141 3 0 "[ . 1 . 2]"
1 26 PRO 1.697 0.107 4 0 "[ . 1 . 2]"
1 27 SER 3.940 0.107 4 0 "[ . 1 . 2]"
1 28 GLY 1.532 0.137 11 0 "[ . 1 . 2]"
1 29 CYS 3.522 0.137 11 0 "[ . 1 . 2]"
1 30 PRO 0.894 0.061 15 0 "[ . 1 . 2]"
1 31 SER 4.991 0.149 12 0 "[ . 1 . 2]"
1 32 GLY 3.568 0.322 12 0 "[ . 1 . 2]"
1 33 TRP 11.507 0.322 12 0 "[ . 1 . 2]"
1 34 HIS 10.414 0.213 8 0 "[ . 1 . 2]"
1 35 ASN 2.448 0.120 3 0 "[ . 1 . 2]"
1 36 CYS 0.517 0.132 1 0 "[ . 1 . 2]"
1 37 LYS 11.803 0.726 14 10 "[ * .* *1* *+* -* *]"
1 38 ALA 0.795 0.074 7 0 "[ . 1 . 2]"
1 39 HIS 0.940 0.071 1 0 "[ . 1 . 2]"
1 40 GLY 1.257 0.097 16 0 "[ . 1 . 2]"
1 41 PRO 4.775 0.967 8 3 "[ . + 1* -. 2]"
1 42 THR 0.093 0.048 9 0 "[ . 1 . 2]"
1 43 ILE 0.494 0.050 15 0 "[ . 1 . 2]"
1 44 GLY 0.763 0.493 1 0 "[ . 1 . 2]"
1 45 TRP 0.983 0.058 15 0 "[ . 1 . 2]"
1 46 CYS 4.928 0.967 8 3 "[ . + 1* -. 2]"
1 47 CYS 9.378 0.726 14 10 "[ * .* *1* *+* -* *]"
1 48 LYS 3.442 0.143 16 0 "[ . 1 . 2]"
1 49 GLN 2.524 0.136 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 VAL H 1 2 VAL HB 0.000 . 3.520 2.858 2.451 3.552 0.032 1 0 "[ . 1 . 2]" 1
2 1 2 VAL H 1 21 THR MG 0.000 . 4.900 3.035 2.614 3.738 . 0 0 "[ . 1 . 2]" 1
3 1 2 VAL HA 1 3 SER H 0.000 . 2.370 2.213 2.029 2.393 0.023 18 0 "[ . 1 . 2]" 1
4 1 2 VAL HB 1 3 SER H 0.000 . 3.790 3.804 3.537 3.868 0.078 15 0 "[ . 1 . 2]" 1
5 1 2 VAL QG 1 3 SER H 0.000 . 5.800 2.473 1.961 3.553 . 0 0 "[ . 1 . 2]" 1
6 1 3 SER H 1 3 SER HB2 0.000 . 3.220 2.609 2.310 2.853 . 0 0 "[ . 1 . 2]" 1
7 1 3 SER H 1 3 SER HB3 0.000 . 3.640 3.643 3.455 3.732 0.092 14 0 "[ . 1 . 2]" 1
8 1 3 SER HA 1 4 CYS H 0.000 . 2.640 2.451 2.312 2.566 . 0 0 "[ . 1 . 2]" 1
9 1 3 SER HA 1 21 THR HA 0.000 . 3.550 1.982 1.838 2.339 . 0 0 "[ . 1 . 2]" 1
10 1 3 SER HA 1 21 THR MG 0.000 . 6.170 2.890 2.142 3.545 . 0 0 "[ . 1 . 2]" 1
11 1 3 SER HA 1 22 LEU H 0.000 . 3.390 3.082 2.118 3.440 0.050 11 0 "[ . 1 . 2]" 1
12 1 3 SER HB2 1 4 CYS H 0.000 . 3.350 3.383 3.331 3.414 0.064 18 0 "[ . 1 . 2]" 1
13 1 3 SER HB2 1 18 LEU QB 0.000 . 5.440 3.193 1.908 4.017 . 0 0 "[ . 1 . 2]" 1
14 1 3 SER HB2 1 18 LEU MD1 0.000 . 6.030 2.682 1.910 4.455 . 0 0 "[ . 1 . 2]" 1
15 1 3 SER HB2 1 18 LEU QD 0.000 . 5.750 2.095 1.908 2.802 . 0 0 "[ . 1 . 2]" 1
16 1 3 SER HB2 1 18 LEU MD2 0.000 . 6.030 3.214 1.952 4.779 . 0 0 "[ . 1 . 2]" 1
17 1 3 SER HB2 1 18 LEU HG 0.000 . 4.330 3.348 2.062 4.367 0.037 3 0 "[ . 1 . 2]" 1
18 1 3 SER HB3 1 4 CYS H 0.000 . 3.300 2.442 2.004 3.083 . 0 0 "[ . 1 . 2]" 1
19 1 3 SER HB3 1 18 LEU QB 0.000 . 4.560 2.835 1.874 3.770 . 0 0 "[ . 1 . 2]" 1
20 1 3 SER HB3 1 18 LEU HG 0.000 . 3.360 3.297 2.662 3.531 0.171 10 0 "[ . 1 . 2]" 1
21 1 4 CYS CB 1 46 CYS SG 0.000 . 3.200 3.062 2.972 3.129 . 0 0 "[ . 1 . 2]" 1
22 1 4 CYS H 1 20 GLY H 0.000 . 3.610 3.257 2.791 3.690 0.080 2 0 "[ . 1 . 2]" 1
23 1 4 CYS H 1 21 THR H 0.000 . 5.000 4.038 3.623 4.495 . 0 0 "[ . 1 . 2]" 1
24 1 4 CYS QB 1 5 LEU H 0.000 . 4.510 3.207 2.432 3.849 . 0 0 "[ . 1 . 2]" 1
25 1 4 CYS HB2 1 21 THR H 0.000 3.500 50.000 4.850 3.719 6.564 . 0 0 "[ . 1 . 2]" 1
26 1 4 CYS HB3 1 21 THR H 0.000 3.500 50.000 4.025 2.728 7.038 0.772 5 4 "[ * + * . - 2]" 1
27 1 4 CYS SG 1 46 CYS CB 0.000 . 3.200 3.000 2.896 3.067 . 0 0 "[ . 1 . 2]" 1
28 1 4 CYS SG 1 46 CYS SG 0.000 . 2.100 2.019 2.013 2.023 . 0 0 "[ . 1 . 2]" 1
29 1 5 LEU H 1 5 LEU HB2 0.000 . 3.440 2.647 2.038 3.566 0.126 6 0 "[ . 1 . 2]" 1
30 1 5 LEU H 1 5 LEU QB 0.000 . 3.270 2.260 1.970 2.626 . 0 0 "[ . 1 . 2]" 1
31 1 5 LEU H 1 5 LEU HB3 0.000 . 3.440 2.950 2.251 3.518 0.078 17 0 "[ . 1 . 2]" 1
32 1 5 LEU H 1 5 LEU HG 0.000 . 3.820 3.366 1.808 3.969 0.149 2 0 "[ . 1 . 2]" 1
33 1 5 LEU H 1 6 CYS H 0.000 . 4.520 4.457 4.271 4.553 0.033 20 0 "[ . 1 . 2]" 1
34 1 5 LEU H 1 18 LEU QD 0.000 . 6.430 3.991 2.699 4.883 . 0 0 "[ . 1 . 2]" 1
35 1 5 LEU H 1 19 SER H 0.000 3.500 50.000 5.355 4.125 6.080 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU HA 1 5 LEU MD1 0.000 . 4.800 3.523 2.329 4.039 . 0 0 "[ . 1 . 2]" 1
37 1 5 LEU HA 1 5 LEU MD2 0.000 . 4.800 3.013 1.942 4.070 . 0 0 "[ . 1 . 2]" 1
38 1 5 LEU HA 1 6 CYS H 0.000 . 2.670 2.238 2.020 2.490 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU QB 1 6 CYS H 0.000 . 4.630 3.153 1.989 3.966 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU HB2 1 6 CYS H 0.000 . 4.950 3.866 2.005 4.676 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU HB3 1 6 CYS H 0.000 . 4.950 3.642 2.506 4.544 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU QD 1 6 CYS H 0.000 . 6.670 2.795 1.759 4.303 0.021 3 0 "[ . 1 . 2]" 1
43 1 5 LEU QD 1 9 ASP HB2 0.000 . 4.600 2.189 1.813 3.108 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU QD 1 9 ASP HB3 0.000 . 6.110 2.629 1.965 3.625 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU MD1 1 9 ASP HB2 0.000 . 5.040 3.429 1.815 4.277 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU MD2 1 9 ASP HB2 0.000 . 5.040 2.815 1.850 4.269 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU HG 1 6 CYS H 0.000 . 4.310 3.998 2.979 4.367 0.057 11 0 "[ . 1 . 2]" 1
48 1 6 CYS CB 1 36 CYS SG 0.000 . 3.200 3.020 2.965 3.071 . 0 0 "[ . 1 . 2]" 1
49 1 6 CYS H 1 6 CYS HB2 0.000 . 3.480 2.449 2.232 2.661 . 0 0 "[ . 1 . 2]" 1
50 1 6 CYS H 1 6 CYS HB3 0.000 . 3.810 3.633 3.504 3.761 . 0 0 "[ . 1 . 2]" 1
51 1 6 CYS H 1 9 ASP HB2 0.000 . 3.970 2.717 2.081 3.593 . 0 0 "[ . 1 . 2]" 1
52 1 6 CYS H 1 9 ASP HB3 0.000 . 4.040 3.838 3.246 4.118 0.078 3 0 "[ . 1 . 2]" 1
53 1 6 CYS H 1 19 SER H 0.000 . 4.120 3.745 2.706 4.170 0.050 15 0 "[ . 1 . 2]" 1
54 1 6 CYS H 1 19 SER HB2 0.000 3.500 50.000 4.719 2.665 6.817 0.835 3 1 "[ + . 1 . 2]" 1
55 1 6 CYS H 1 19 SER HB3 0.000 3.500 50.000 5.159 3.103 6.684 0.397 7 0 "[ . 1 . 2]" 1
56 1 6 CYS H 1 20 GLY H 0.000 . 4.360 3.919 2.990 4.391 0.031 3 0 "[ . 1 . 2]" 1
57 1 6 CYS HA 1 7 ASP H 0.000 . 2.640 2.404 2.197 2.657 0.017 15 0 "[ . 1 . 2]" 1
58 1 6 CYS HB2 1 7 ASP H 0.000 . 4.170 3.721 3.209 4.045 . 0 0 "[ . 1 . 2]" 1
59 1 6 CYS HB2 1 8 SER H 0.000 . 4.530 3.110 2.667 3.775 . 0 0 "[ . 1 . 2]" 1
60 1 6 CYS HB2 1 9 ASP H 0.000 . 4.400 3.365 2.558 4.219 . 0 0 "[ . 1 . 2]" 1
61 1 6 CYS HB2 1 36 CYS QB 0.000 . 4.910 3.744 3.036 4.234 . 0 0 "[ . 1 . 2]" 1
62 1 6 CYS HB3 1 7 ASP H 0.000 . 3.730 2.596 2.108 3.081 . 0 0 "[ . 1 . 2]" 1
63 1 6 CYS HB3 1 8 SER H 0.000 . 3.390 2.793 2.297 3.390 . 0 0 "[ . 1 . 2]" 1
64 1 6 CYS HB3 1 9 ASP H 0.000 . 4.810 4.089 3.495 4.854 0.044 18 0 "[ . 1 . 2]" 1
65 1 6 CYS SG 1 36 CYS CB 0.000 . 3.200 3.018 2.906 3.100 . 0 0 "[ . 1 . 2]" 1
66 1 6 CYS SG 1 36 CYS SG 0.000 . 2.100 2.018 2.011 2.024 . 0 0 "[ . 1 . 2]" 1
67 1 7 ASP H 1 7 ASP HB2 0.000 . 3.680 2.514 2.126 3.621 . 0 0 "[ . 1 . 2]" 1
68 1 7 ASP H 1 7 ASP HB3 0.000 . 3.680 3.354 2.482 3.621 . 0 0 "[ . 1 . 2]" 1
69 1 7 ASP H 1 8 SER H 0.000 . 4.220 2.691 2.424 3.062 . 0 0 "[ . 1 . 2]" 1
70 1 7 ASP H 1 36 CYS HA 0.000 . 5.440 4.345 3.374 5.487 0.047 11 0 "[ . 1 . 2]" 1
71 1 7 ASP H 1 37 LYS HA 0.000 . 3.660 3.307 2.491 3.702 0.042 15 0 "[ . 1 . 2]" 1
72 1 7 ASP HA 1 8 SER H 0.000 . 3.290 3.222 2.702 3.367 0.077 15 0 "[ . 1 . 2]" 1
73 1 7 ASP HA 1 9 ASP H 0.000 . 5.300 3.705 3.434 4.346 . 0 0 "[ . 1 . 2]" 1
74 1 7 ASP HB2 1 8 SER H 0.000 . 3.960 3.473 2.796 3.988 0.028 20 0 "[ . 1 . 2]" 1
75 1 7 ASP HB3 1 8 SER H 0.000 . 3.960 3.860 3.185 4.069 0.109 20 0 "[ . 1 . 2]" 1
76 1 8 SER H 1 9 ASP H 0.000 . 4.050 2.338 1.760 2.797 0.020 20 0 "[ . 1 . 2]" 1
77 1 9 ASP H 1 9 ASP HB2 0.000 . 3.550 2.451 2.204 2.737 . 0 0 "[ . 1 . 2]" 1
78 1 9 ASP H 1 9 ASP HB3 0.000 . 3.670 3.628 3.436 3.713 0.043 1 0 "[ . 1 . 2]" 1
79 1 9 ASP HA 1 10 GLY H 0.000 . 2.950 2.505 2.114 3.052 0.102 13 0 "[ . 1 . 2]" 1
80 1 10 GLY H 1 10 GLY QA 0.000 . 2.560 2.340 2.231 2.475 . 0 0 "[ . 1 . 2]" 1
81 1 10 GLY QA 1 11 PRO QD 0.000 . 3.190 2.113 1.966 2.404 . 0 0 "[ . 1 . 2]" 1
82 1 11 PRO HA 1 12 SER H 0.000 . 2.710 2.437 2.162 2.748 0.038 8 0 "[ . 1 . 2]" 1
83 1 11 PRO QB 1 12 SER H 0.000 . 4.030 2.675 2.123 3.284 . 0 0 "[ . 1 . 2]" 1
84 1 11 PRO HB2 1 12 SER H 0.000 . 4.230 2.756 2.148 3.463 . 0 0 "[ . 1 . 2]" 1
85 1 11 PRO HB3 1 12 SER H 0.000 . 4.230 3.683 3.328 4.117 . 0 0 "[ . 1 . 2]" 1
86 1 11 PRO QG 1 12 SER H 0.000 . 5.060 4.144 3.706 4.460 . 0 0 "[ . 1 . 2]" 1
87 1 12 SER HA 1 13 VAL H 0.000 . 2.720 2.297 1.979 2.768 0.048 18 0 "[ . 1 . 2]" 1
88 1 12 SER QB 1 13 VAL H 0.000 . 3.850 2.934 2.137 3.612 . 0 0 "[ . 1 . 2]" 1
89 1 12 SER HB2 1 13 VAL H 0.000 . 4.140 3.087 2.157 3.949 . 0 0 "[ . 1 . 2]" 1
90 1 12 SER HB3 1 13 VAL H 0.000 . 4.140 3.914 3.462 4.200 0.060 17 0 "[ . 1 . 2]" 1
91 1 13 VAL H 1 13 VAL HB 0.000 . 3.690 3.393 2.700 3.740 0.050 12 0 "[ . 1 . 2]" 1
92 1 13 VAL HA 1 14 ARG H 0.000 . 2.850 2.482 2.092 2.982 0.132 4 0 "[ . 1 . 2]" 1
93 1 13 VAL HB 1 14 ARG H 0.000 . 3.860 3.572 1.929 3.948 0.088 6 0 "[ . 1 . 2]" 1
94 1 13 VAL QG 1 14 ARG H 0.000 . 6.160 2.687 1.605 3.767 0.175 4 0 "[ . 1 . 2]" 1
95 1 14 ARG H 1 14 ARG QB 0.000 . 3.710 2.791 2.148 3.427 . 0 0 "[ . 1 . 2]" 1
96 1 14 ARG H 1 14 ARG QG 0.000 . 4.710 3.142 1.789 4.303 . 0 0 "[ . 1 . 2]" 1
97 1 14 ARG HA 1 14 ARG QG 0.000 . 3.990 2.627 2.179 3.432 . 0 0 "[ . 1 . 2]" 1
98 1 14 ARG HA 1 15 GLY H 0.000 . 2.730 2.354 2.079 2.727 . 0 0 "[ . 1 . 2]" 1
99 1 14 ARG HA 1 16 ASN H 0.000 . 3.330 3.264 2.873 3.417 0.087 10 0 "[ . 1 . 2]" 1
100 1 14 ARG QB 1 15 GLY H 0.000 . 4.090 2.936 1.919 3.648 . 0 0 "[ . 1 . 2]" 1
101 1 14 ARG HB2 1 15 GLY H 0.000 . 4.500 3.701 2.609 4.394 . 0 0 "[ . 1 . 2]" 1
102 1 14 ARG HB3 1 15 GLY H 0.000 . 4.500 3.257 1.944 4.156 . 0 0 "[ . 1 . 2]" 1
103 1 14 ARG QG 1 15 GLY H 0.000 . 4.660 3.292 1.760 4.221 0.020 15 0 "[ . 1 . 2]" 1
104 1 15 GLY H 1 16 ASN H 0.000 . 4.210 2.518 1.895 3.266 . 0 0 "[ . 1 . 2]" 1
105 1 15 GLY QA 1 16 ASN H 0.000 . 3.050 2.730 2.543 2.855 . 0 0 "[ . 1 . 2]" 1
106 1 16 ASN H 1 16 ASN HA 0.000 . 2.880 2.786 2.302 2.942 0.062 4 0 "[ . 1 . 2]" 1
107 1 16 ASN H 1 16 ASN HB2 0.000 . 3.590 3.280 2.466 3.618 0.028 7 0 "[ . 1 . 2]" 1
108 1 16 ASN H 1 16 ASN HB3 0.000 . 3.590 2.775 2.306 3.655 0.065 10 0 "[ . 1 . 2]" 1
109 1 16 ASN HA 1 17 THR H 0.000 . 3.390 2.424 2.041 3.461 0.071 14 0 "[ . 1 . 2]" 1
110 1 16 ASN QB 1 16 ASN HD22 0.000 . 3.790 3.309 3.255 3.497 . 0 0 "[ . 1 . 2]" 1
111 1 16 ASN QB 1 17 THR H 0.000 . 3.620 2.887 2.027 3.367 . 0 0 "[ . 1 . 2]" 1
112 1 16 ASN HB2 1 16 ASN HD22 0.000 . 3.960 3.700 3.478 3.932 . 0 0 "[ . 1 . 2]" 1
113 1 16 ASN HB2 1 17 THR H 0.000 . 3.890 3.283 2.193 3.898 0.008 8 0 "[ . 1 . 2]" 1
114 1 16 ASN HB3 1 16 ASN HD22 0.000 . 3.960 3.793 3.503 4.034 0.074 17 0 "[ . 1 . 2]" 1
115 1 16 ASN HB3 1 17 THR H 0.000 . 3.890 3.559 2.040 3.965 0.075 7 0 "[ . 1 . 2]" 1
116 1 16 ASN HD21 1 17 THR HA 0.000 . 5.390 4.740 3.130 5.454 0.064 5 0 "[ . 1 . 2]" 1
117 1 16 ASN HD22 1 17 THR HA 0.000 . 5.690 5.008 4.129 5.720 0.030 14 0 "[ . 1 . 2]" 1
118 1 17 THR H 1 17 THR HA 0.000 . 2.910 2.798 2.319 2.963 0.053 19 0 "[ . 1 . 2]" 1
119 1 17 THR HA 1 18 LEU H 0.000 . 2.740 2.451 2.107 2.789 0.049 17 0 "[ . 1 . 2]" 1
120 1 17 THR HB 1 18 LEU H 0.000 . 4.060 3.481 2.288 4.134 0.074 18 0 "[ . 1 . 2]" 1
121 1 17 THR MG 1 18 LEU H 0.000 . 4.920 3.103 1.896 4.110 . 0 0 "[ . 1 . 2]" 1
122 1 18 LEU H 1 18 LEU QB 0.000 . 3.690 2.873 2.165 3.279 . 0 0 "[ . 1 . 2]" 1
123 1 18 LEU H 1 18 LEU MD1 0.000 . 5.520 3.494 2.307 4.418 . 0 0 "[ . 1 . 2]" 1
124 1 18 LEU H 1 18 LEU QD 0.000 . 5.100 2.229 1.692 2.883 0.088 1 0 "[ . 1 . 2]" 1
125 1 18 LEU H 1 18 LEU MD2 0.000 . 5.520 2.904 1.694 4.667 0.086 1 0 "[ . 1 . 2]" 1
126 1 18 LEU H 1 18 LEU HG 0.000 . 3.850 3.228 2.261 3.992 0.142 20 0 "[ . 1 . 2]" 1
127 1 18 LEU H 1 19 SER H 0.000 . 4.450 3.740 2.485 4.433 . 0 0 "[ . 1 . 2]" 1
128 1 18 LEU HA 1 18 LEU HG 0.000 . 3.720 3.180 2.143 3.765 0.045 14 0 "[ . 1 . 2]" 1
129 1 18 LEU HA 1 19 SER H 0.000 . 2.800 2.257 2.071 2.774 . 0 0 "[ . 1 . 2]" 1
130 1 18 LEU HA 1 20 GLY H 0.000 . 3.510 3.479 3.213 3.616 0.106 3 0 "[ . 1 . 2]" 1
131 1 18 LEU QB 1 19 SER H 0.000 . 5.700 3.573 2.655 4.052 . 0 0 "[ . 1 . 2]" 1
132 1 18 LEU HG 1 19 SER H 0.000 . 4.530 4.512 4.017 4.610 0.080 9 0 "[ . 1 . 2]" 1
133 1 19 SER H 1 20 GLY H 0.000 . 3.130 2.475 1.628 3.094 0.152 3 0 "[ . 1 . 2]" 1
134 1 20 GLY H 1 20 GLY HA2 0.000 . 2.750 2.867 2.816 2.893 0.143 10 0 "[ . 1 . 2]" 1
135 1 20 GLY H 1 20 GLY HA3 0.000 . 2.750 2.383 2.238 2.624 . 0 0 "[ . 1 . 2]" 1
136 1 20 GLY H 1 21 THR H 0.000 . 4.350 4.372 4.225 4.428 0.078 17 0 "[ . 1 . 2]" 1
137 1 20 GLY QA 1 21 THR H 0.000 . 3.160 2.318 2.110 2.483 . 0 0 "[ . 1 . 2]" 1
138 1 21 THR H 1 21 THR HA 0.000 . 2.790 2.851 2.817 2.880 0.090 13 0 "[ . 1 . 2]" 1
139 1 21 THR H 1 21 THR HB 0.000 . 3.220 2.875 2.770 3.019 . 0 0 "[ . 1 . 2]" 1
140 1 21 THR H 1 22 LEU H 0.000 . 3.900 4.006 3.936 4.068 0.168 8 0 "[ . 1 . 2]" 1
141 1 21 THR H 1 23 TRP HD1 0.000 . 5.600 4.719 4.268 4.993 . 0 0 "[ . 1 . 2]" 1
142 1 21 THR H 1 23 TRP HE1 0.000 . 5.710 5.201 4.620 5.461 . 0 0 "[ . 1 . 2]" 1
143 1 21 THR H 1 33 TRP HE3 0.000 . 4.960 4.975 4.710 5.059 0.099 14 0 "[ . 1 . 2]" 1
144 1 21 THR H 1 33 TRP HZ3 0.000 . 3.970 3.142 2.802 3.367 . 0 0 "[ . 1 . 2]" 1
145 1 21 THR H 1 47 CYS H 0.000 . 3.130 3.002 2.599 3.160 0.030 20 0 "[ . 1 . 2]" 1
146 1 21 THR H 1 47 CYS HA 0.000 . 4.570 4.572 4.445 4.626 0.056 5 0 "[ . 1 . 2]" 1
147 1 21 THR H 1 47 CYS QB 0.000 . 5.560 4.388 4.038 4.665 . 0 0 "[ . 1 . 2]" 1
148 1 21 THR H 1 48 LYS HA 0.000 . 3.600 3.187 2.939 3.460 . 0 0 "[ . 1 . 2]" 1
149 1 21 THR HA 1 22 LEU H 0.000 . 2.520 2.088 1.889 2.269 . 0 0 "[ . 1 . 2]" 1
150 1 21 THR HB 1 22 LEU H 0.000 . 3.550 3.589 3.497 3.677 0.127 11 0 "[ . 1 . 2]" 1
151 1 21 THR HB 1 23 TRP HD1 0.000 . 4.450 3.677 3.246 4.120 . 0 0 "[ . 1 . 2]" 1
152 1 21 THR HB 1 23 TRP HE1 0.000 . 3.860 2.963 2.452 3.318 . 0 0 "[ . 1 . 2]" 1
153 1 21 THR HB 1 33 TRP HE3 0.000 . 4.570 4.245 4.014 4.557 . 0 0 "[ . 1 . 2]" 1
154 1 21 THR HB 1 33 TRP HH2 0.000 . 3.830 2.221 2.057 2.443 . 0 0 "[ . 1 . 2]" 1
155 1 21 THR HB 1 33 TRP HZ3 0.000 . 3.400 2.119 1.943 2.571 . 0 0 "[ . 1 . 2]" 1
156 1 21 THR HB 1 47 CYS H 0.000 . 4.620 4.366 4.074 4.630 0.010 15 0 "[ . 1 . 2]" 1
157 1 21 THR HB 1 48 LYS HA 0.000 . 4.640 3.809 3.371 4.352 . 0 0 "[ . 1 . 2]" 1
158 1 21 THR MG 1 22 LEU H 0.000 . 4.520 2.265 1.986 2.573 . 0 0 "[ . 1 . 2]" 1
159 1 21 THR MG 1 23 TRP HD1 0.000 . 5.160 4.127 3.932 4.220 . 0 0 "[ . 1 . 2]" 1
160 1 21 THR MG 1 23 TRP HE1 0.000 . 5.310 3.429 3.187 3.570 . 0 0 "[ . 1 . 2]" 1
161 1 21 THR MG 1 23 TRP HH2 0.000 . 6.630 5.399 5.292 5.458 . 0 0 "[ . 1 . 2]" 1
162 1 21 THR MG 1 23 TRP HZ2 0.000 . 5.290 4.035 3.830 4.183 . 0 0 "[ . 1 . 2]" 1
163 1 21 THR MG 1 33 TRP HH2 0.000 . 4.960 2.469 2.077 2.983 . 0 0 "[ . 1 . 2]" 1
164 1 21 THR MG 1 33 TRP HZ3 0.000 . 5.150 3.752 3.515 4.178 . 0 0 "[ . 1 . 2]" 1
165 1 22 LEU H 1 22 LEU HB2 0.000 . 3.360 3.072 2.944 3.312 . 0 0 "[ . 1 . 2]" 1
166 1 22 LEU H 1 22 LEU HB3 0.000 . 3.230 2.433 2.272 2.598 . 0 0 "[ . 1 . 2]" 1
167 1 22 LEU H 1 22 LEU HG 0.000 . 4.860 4.551 4.313 4.716 . 0 0 "[ . 1 . 2]" 1
168 1 22 LEU HA 1 23 TRP H 0.000 . 2.560 2.017 1.915 2.122 . 0 0 "[ . 1 . 2]" 1
169 1 22 LEU HA 1 23 TRP HD1 0.000 . 5.530 3.647 3.284 3.985 . 0 0 "[ . 1 . 2]" 1
170 1 22 LEU HA 1 46 CYS HA 0.000 . 2.670 2.077 1.933 2.208 . 0 0 "[ . 1 . 2]" 1
171 1 22 LEU HA 1 47 CYS H 0.000 . 3.600 2.849 2.548 3.248 . 0 0 "[ . 1 . 2]" 1
172 1 22 LEU HB2 1 22 LEU HG 0.000 . 2.940 2.786 2.578 2.977 0.037 11 0 "[ . 1 . 2]" 1
173 1 22 LEU HB2 1 23 TRP H 0.000 . 3.670 3.738 3.710 3.775 0.105 15 0 "[ . 1 . 2]" 1
174 1 22 LEU HB2 1 46 CYS HA 0.000 . 3.590 2.960 2.345 3.323 . 0 0 "[ . 1 . 2]" 1
175 1 22 LEU HB3 1 23 TRP H 0.000 . 4.840 4.082 3.837 4.245 . 0 0 "[ . 1 . 2]" 1
176 1 22 LEU HB3 1 46 CYS HA 0.000 . 4.560 4.445 3.956 4.642 0.082 19 0 "[ . 1 . 2]" 1
177 1 22 LEU QD 1 46 CYS H 0.000 . 6.420 3.795 2.995 4.614 . 0 0 "[ . 1 . 2]" 1
178 1 22 LEU HG 1 23 TRP H 0.000 . 4.020 2.339 2.036 3.075 . 0 0 "[ . 1 . 2]" 1
179 1 22 LEU HG 1 45 TRP H 0.000 . 4.530 2.846 2.311 4.327 . 0 0 "[ . 1 . 2]" 1
180 1 22 LEU HG 1 46 CYS HA 0.000 . 5.060 3.903 3.408 5.070 0.010 11 0 "[ . 1 . 2]" 1
181 1 23 TRP H 1 23 TRP HD1 0.000 . 4.130 3.398 3.156 3.786 . 0 0 "[ . 1 . 2]" 1
182 1 23 TRP H 1 24 LEU H 0.000 . 4.290 4.310 4.195 4.350 0.060 8 0 "[ . 1 . 2]" 1
183 1 23 TRP H 1 45 TRP H 0.000 . 3.310 3.037 2.714 3.328 0.018 5 0 "[ . 1 . 2]" 1
184 1 23 TRP H 1 46 CYS HA 0.000 . 3.500 3.362 3.099 3.518 0.018 18 0 "[ . 1 . 2]" 1
185 1 23 TRP HA 1 23 TRP HE3 0.000 . 3.420 2.805 2.642 3.041 . 0 0 "[ . 1 . 2]" 1
186 1 23 TRP QB 1 25 TYR QE 0.000 . 7.230 5.199 4.904 5.573 . 0 0 "[ . 1 . 2]" 1
187 1 23 TRP QB 1 45 TRP H 0.000 . 6.660 3.737 3.273 3.905 . 0 0 "[ . 1 . 2]" 1
188 1 23 TRP HD1 1 30 PRO QD 0.000 . 5.330 3.110 3.021 3.249 . 0 0 "[ . 1 . 2]" 1
189 1 23 TRP HD1 1 30 PRO HG2 0.000 . 5.190 5.230 5.198 5.251 0.061 15 0 "[ . 1 . 2]" 1
190 1 23 TRP HD1 1 30 PRO QG 0.000 . 4.940 4.439 4.243 4.494 . 0 0 "[ . 1 . 2]" 1
191 1 23 TRP HD1 1 30 PRO HG3 0.000 . 5.190 4.801 4.490 4.917 . 0 0 "[ . 1 . 2]" 1
192 1 23 TRP HD1 1 33 TRP HE3 0.000 . 4.350 3.719 3.516 4.184 . 0 0 "[ . 1 . 2]" 1
193 1 23 TRP HD1 1 33 TRP HH2 0.000 . 4.950 4.948 4.742 4.995 0.045 18 0 "[ . 1 . 2]" 1
194 1 23 TRP HD1 1 46 CYS HA 0.000 . 4.640 4.566 3.714 4.700 0.060 7 0 "[ . 1 . 2]" 1
195 1 23 TRP HD1 1 47 CYS H 0.000 . 4.110 3.394 2.776 3.681 . 0 0 "[ . 1 . 2]" 1
196 1 23 TRP HD1 1 47 CYS QB 0.000 . 4.210 2.505 2.278 3.014 . 0 0 "[ . 1 . 2]" 1
197 1 23 TRP HE1 1 30 PRO QG 0.000 . 6.360 3.480 3.347 3.569 . 0 0 "[ . 1 . 2]" 1
198 1 23 TRP HE1 1 33 TRP HE3 0.000 . 4.060 3.160 2.991 3.439 . 0 0 "[ . 1 . 2]" 1
199 1 23 TRP HE1 1 33 TRP HH2 0.000 . 4.340 3.043 2.795 3.209 . 0 0 "[ . 1 . 2]" 1
200 1 23 TRP HE1 1 33 TRP HZ2 0.000 . 5.460 3.405 3.210 3.577 . 0 0 "[ . 1 . 2]" 1
201 1 23 TRP HE1 1 33 TRP HZ3 0.000 . 4.140 2.919 2.756 3.141 . 0 0 "[ . 1 . 2]" 1
202 1 23 TRP HE3 1 24 LEU H 0.000 . 4.220 3.109 2.799 3.538 . 0 0 "[ . 1 . 2]" 1
203 1 23 TRP HE3 1 25 TYR HB2 0.000 . 4.190 3.047 2.825 3.247 . 0 0 "[ . 1 . 2]" 1
204 1 23 TRP HE3 1 25 TYR HB3 0.000 . 4.190 4.287 4.241 4.331 0.141 3 0 "[ . 1 . 2]" 1
205 1 23 TRP HE3 1 25 TYR QE 0.000 . 5.830 3.755 3.439 4.209 . 0 0 "[ . 1 . 2]" 1
206 1 23 TRP HH2 1 30 PRO HG2 0.000 . 5.830 4.307 3.996 4.773 . 0 0 "[ . 1 . 2]" 1
207 1 23 TRP HH2 1 30 PRO QG 0.000 . 5.140 3.309 3.146 3.471 . 0 0 "[ . 1 . 2]" 1
208 1 23 TRP HH2 1 30 PRO HG3 0.000 . 5.830 3.442 3.292 3.632 . 0 0 "[ . 1 . 2]" 1
209 1 23 TRP HZ2 1 30 PRO HG2 0.000 . 5.130 3.454 3.153 3.921 . 0 0 "[ . 1 . 2]" 1
210 1 23 TRP HZ2 1 30 PRO QG . . 4.740 2.967 2.810 3.135 . 0 0 "[ . 1 . 2]" 1
211 1 23 TRP HZ2 1 30 PRO HG3 0.000 . 5.130 3.246 2.955 3.381 . 0 0 "[ . 1 . 2]" 1
212 1 23 TRP HZ2 1 33 TRP HE1 0.000 . 4.120 3.110 2.908 3.356 . 0 0 "[ . 1 . 2]" 1
213 1 23 TRP HZ2 1 33 TRP HH2 0.000 . 4.260 4.005 3.695 4.259 . 0 0 "[ . 1 . 2]" 1
214 1 23 TRP HZ2 1 33 TRP HZ2 0.000 . 3.610 2.491 2.187 2.918 . 0 0 "[ . 1 . 2]" 1
215 1 24 LEU H 1 24 LEU HA 0.000 . 2.910 2.933 2.921 2.938 0.028 9 0 "[ . 1 . 2]" 1
216 1 24 LEU H 1 24 LEU HB2 0.000 . 3.340 2.812 2.641 2.866 . 0 0 "[ . 1 . 2]" 1
217 1 24 LEU H 1 24 LEU HB3 0.000 . 3.610 3.639 3.620 3.652 0.042 18 0 "[ . 1 . 2]" 1
218 1 24 LEU H 1 24 LEU MD1 0.000 . 5.510 3.552 3.449 3.611 . 0 0 "[ . 1 . 2]" 1
219 1 24 LEU H 1 24 LEU MD2 0.000 . 5.510 2.907 2.756 3.481 . 0 0 "[ . 1 . 2]" 1
220 1 24 LEU H 1 24 LEU HG 0.000 . 3.350 1.853 1.771 2.042 0.009 11 0 "[ . 1 . 2]" 1
221 1 24 LEU H 1 25 TYR H 0.000 . 3.850 2.063 1.918 2.134 . 0 0 "[ . 1 . 2]" 1
222 1 24 LEU HA 1 24 LEU HG 0.000 . 3.330 3.334 3.067 3.380 0.050 1 0 "[ . 1 . 2]" 1
223 1 24 LEU HA 1 25 TYR H 0.000 . 3.170 3.208 3.180 3.236 0.066 20 0 "[ . 1 . 2]" 1
224 1 24 LEU HA 1 44 GLY HA2 0.000 . 3.300 2.973 2.568 3.237 . 0 0 "[ . 1 . 2]" 1
225 1 24 LEU HA 1 44 GLY QA 0.000 . 2.980 2.709 2.469 2.792 . 0 0 "[ . 1 . 2]" 1
226 1 24 LEU HA 1 44 GLY HA3 0.000 . 3.300 3.189 2.578 3.333 0.033 20 0 "[ . 1 . 2]" 1
227 1 24 LEU HB2 1 25 TYR H 0.000 . 5.160 3.149 2.878 3.313 . 0 0 "[ . 1 . 2]" 1
228 1 24 LEU QD 1 44 GLY H 0.000 . 7.670 5.120 4.691 5.286 . 0 0 "[ . 1 . 2]" 1
229 1 24 LEU QD 1 45 TRP H 0.000 . 8.010 3.982 3.686 4.275 . 0 0 "[ . 1 . 2]" 1
230 1 24 LEU HG 1 25 TYR H 0.000 . 3.610 3.670 3.640 3.708 0.098 9 0 "[ . 1 . 2]" 1
231 1 25 TYR H 1 25 TYR HB2 0.000 . 3.350 2.479 2.403 2.543 . 0 0 "[ . 1 . 2]" 1
232 1 25 TYR H 1 25 TYR HB3 0.000 . 3.790 3.615 3.541 3.660 . 0 0 "[ . 1 . 2]" 1
233 1 25 TYR HA 1 26 PRO HD2 0.000 . 3.170 2.600 2.454 2.704 . 0 0 "[ . 1 . 2]" 1
234 1 25 TYR HA 1 26 PRO HD3 0.000 . 3.170 2.321 2.253 2.455 . 0 0 "[ . 1 . 2]" 1
235 1 25 TYR HA 1 27 SER H 0.000 . 4.180 4.088 3.943 4.183 0.003 11 0 "[ . 1 . 2]" 1
236 1 25 TYR QB 1 28 GLY H 0.000 . 3.860 3.102 2.803 3.353 . 0 0 "[ . 1 . 2]" 1
237 1 25 TYR HB2 1 26 PRO QD 0.000 . 5.070 3.608 3.467 3.781 . 0 0 "[ . 1 . 2]" 1
238 1 25 TYR HB2 1 27 SER H 0.000 . 3.530 3.597 3.560 3.630 0.100 3 0 "[ . 1 . 2]" 1
239 1 25 TYR HB2 1 28 GLY H 0.000 . 4.330 3.288 2.943 3.559 . 0 0 "[ . 1 . 2]" 1
240 1 25 TYR HB3 1 26 PRO HD2 0.000 . 4.190 2.271 2.071 2.542 . 0 0 "[ . 1 . 2]" 1
241 1 25 TYR HB3 1 26 PRO QD 0.000 . 3.810 2.248 2.055 2.508 . 0 0 "[ . 1 . 2]" 1
242 1 25 TYR HB3 1 26 PRO HD3 0.000 . 4.190 3.598 3.431 3.842 . 0 0 "[ . 1 . 2]" 1
243 1 25 TYR HB3 1 27 SER H 0.000 . 3.820 3.082 2.914 3.317 . 0 0 "[ . 1 . 2]" 1
244 1 25 TYR HB3 1 28 GLY H 0.000 . 4.330 3.808 3.526 4.097 . 0 0 "[ . 1 . 2]" 1
245 1 25 TYR QD 1 30 PRO HA 0.000 . 6.480 3.826 3.519 3.913 . 0 0 "[ . 1 . 2]" 1
246 1 25 TYR QD 1 30 PRO QD 0.000 . 7.260 4.158 3.737 4.703 . 0 0 "[ . 1 . 2]" 1
247 1 25 TYR QE 1 30 PRO HA 0.000 . 6.780 5.111 4.807 5.209 . 0 0 "[ . 1 . 2]" 1
248 1 25 TYR QE 1 30 PRO QB 0.000 . 6.550 2.953 2.584 3.167 . 0 0 "[ . 1 . 2]" 1
249 1 25 TYR QE 1 30 PRO QD 0.000 . 7.560 5.138 4.660 5.567 . 0 0 "[ . 1 . 2]" 1
250 1 25 TYR QE 1 30 PRO HG2 0.000 . 6.850 5.073 4.778 5.427 . 0 0 "[ . 1 . 2]" 1
251 1 25 TYR QE 1 30 PRO QG 0.000 . 6.660 3.761 3.470 4.197 . 0 0 "[ . 1 . 2]" 1
252 1 25 TYR QE 1 30 PRO HG3 0.000 . 6.850 3.878 3.562 4.369 . 0 0 "[ . 1 . 2]" 1
253 1 26 PRO HA 1 27 SER H 0.000 . 3.160 3.245 3.223 3.267 0.107 4 0 "[ . 1 . 2]" 1
254 1 26 PRO HA 1 45 TRP HD1 0.000 . 4.740 4.350 3.950 4.740 0.000 9 0 "[ . 1 . 2]" 1
255 1 26 PRO HA 1 45 TRP HE1 0.000 . 4.650 3.012 2.646 3.820 . 0 0 "[ . 1 . 2]" 1
256 1 26 PRO QB 1 27 SER H 0.000 . 4.190 3.540 3.326 3.653 . 0 0 "[ . 1 . 2]" 1
257 1 26 PRO QD 1 27 SER H 0.000 . 4.430 2.834 2.637 2.938 . 0 0 "[ . 1 . 2]" 1
258 1 26 PRO QG 1 27 SER H 0.000 . 4.850 2.788 2.448 2.987 . 0 0 "[ . 1 . 2]" 1
259 1 27 SER H 1 27 SER HB2 0.000 . 3.900 3.749 3.660 3.821 . 0 0 "[ . 1 . 2]" 1
260 1 27 SER H 1 27 SER HB3 0.000 . 3.580 3.184 3.099 3.321 . 0 0 "[ . 1 . 2]" 1
261 1 27 SER H 1 28 GLY H 0.000 . 3.020 2.113 1.965 2.240 . 0 0 "[ . 1 . 2]" 1
262 1 27 SER HA 1 28 GLY H 0.000 . 3.210 3.101 2.977 3.177 . 0 0 "[ . 1 . 2]" 1
263 1 27 SER HA 1 45 TRP HE1 0.000 . 7.240 3.293 2.361 3.841 . 0 0 "[ . 1 . 2]" 1
264 1 27 SER HA 1 45 TRP HZ2 0.000 . 6.270 2.451 2.358 2.921 . 0 0 "[ . 1 . 2]" 1
265 1 27 SER HB2 1 28 GLY H 0.000 . 4.870 4.272 4.126 4.370 . 0 0 "[ . 1 . 2]" 1
266 1 27 SER HB2 1 45 TRP HZ2 0.000 . 4.690 4.735 4.707 4.748 0.058 15 0 "[ . 1 . 2]" 1
267 1 27 SER HB3 1 28 GLY H 0.000 . 4.810 4.446 4.336 4.506 . 0 0 "[ . 1 . 2]" 1
268 1 28 GLY H 1 29 CYS H 0.000 . 4.290 4.280 3.732 4.342 0.052 14 0 "[ . 1 . 2]" 1
269 1 28 GLY H 1 45 TRP H 0.000 3.500 50.000 4.967 4.507 5.502 . 0 0 "[ . 1 . 2]" 1
270 1 28 GLY H 1 45 TRP HE1 0.000 . 3.980 2.936 2.692 3.389 . 0 0 "[ . 1 . 2]" 1
271 1 28 GLY QA 1 29 CYS H 0.000 . 2.810 1.893 1.866 1.969 . 0 0 "[ . 1 . 2]" 1
272 1 28 GLY QA 1 45 TRP HD1 0.000 . 5.440 2.691 2.424 2.938 . 0 0 "[ . 1 . 2]" 1
273 1 28 GLY QA 1 45 TRP HE1 0.000 . 5.690 3.828 3.559 4.220 . 0 0 "[ . 1 . 2]" 1
274 1 28 GLY HA2 1 29 CYS H 0.000 . 3.040 3.096 3.058 3.177 0.137 11 0 "[ . 1 . 2]" 1
275 1 28 GLY HA3 1 29 CYS H 0.000 . 3.040 1.910 1.881 1.988 . 0 0 "[ . 1 . 2]" 1
276 1 29 CYS CB 1 47 CYS SG 0.000 . 3.200 3.043 2.945 3.117 . 0 0 "[ . 1 . 2]" 1
277 1 29 CYS H 1 29 CYS HA 0.000 . 2.560 2.659 2.636 2.682 0.122 12 0 "[ . 1 . 2]" 1
278 1 29 CYS H 1 29 CYS HB2 0.000 . 3.420 2.136 1.993 2.221 . 0 0 "[ . 1 . 2]" 1
279 1 29 CYS H 1 29 CYS HB3 0.000 . 3.420 3.077 2.918 3.155 . 0 0 "[ . 1 . 2]" 1
280 1 29 CYS H 1 46 CYS H 0.000 3.500 50.000 5.781 5.308 6.322 . 0 0 "[ . 1 . 2]" 1
281 1 29 CYS HA 1 30 PRO HD2 0.000 . 3.110 2.220 2.109 2.451 . 0 0 "[ . 1 . 2]" 1
282 1 29 CYS HA 1 30 PRO HD3 0.000 . 3.110 2.173 2.063 2.281 . 0 0 "[ . 1 . 2]" 1
283 1 29 CYS HA 1 45 TRP HB2 0.000 . 5.450 4.837 3.827 5.104 . 0 0 "[ . 1 . 2]" 1
284 1 29 CYS HB2 1 31 SER H 0.000 3.500 50.000 7.243 6.743 7.731 . 0 0 "[ . 1 . 2]" 1
285 1 29 CYS HB3 1 31 SER H 0.000 3.500 50.000 5.788 5.235 6.324 . 0 0 "[ . 1 . 2]" 1
286 1 29 CYS SG 1 47 CYS CB 0.000 . 3.200 3.111 3.011 3.208 0.008 1 0 "[ . 1 . 2]" 1
287 1 29 CYS SG 1 47 CYS SG 0.000 . 2.100 2.018 2.010 2.022 . 0 0 "[ . 1 . 2]" 1
288 1 30 PRO HA 1 31 SER H 0.000 . 2.500 2.130 1.988 2.535 0.035 14 0 "[ . 1 . 2]" 1
289 1 30 PRO QB 1 31 SER H 0.000 . 4.250 2.918 2.255 3.318 . 0 0 "[ . 1 . 2]" 1
290 1 30 PRO QB 1 33 TRP HE1 0.000 . 5.670 4.503 4.138 4.983 . 0 0 "[ . 1 . 2]" 1
291 1 30 PRO QD 1 31 SER H 0.000 . 5.180 4.758 4.707 4.793 . 0 0 "[ . 1 . 2]" 1
292 1 30 PRO QD 1 33 TRP HB3 0.000 . 3.650 2.858 2.768 2.917 . 0 0 "[ . 1 . 2]" 1
293 1 30 PRO QD 1 33 TRP HD1 0.000 . 4.960 3.580 3.315 4.009 . 0 0 "[ . 1 . 2]" 1
294 1 30 PRO HD2 1 33 TRP HD1 0.000 . 5.460 3.662 3.374 4.143 . 0 0 "[ . 1 . 2]" 1
295 1 30 PRO HD3 1 33 TRP HD1 0.000 . 5.460 5.069 4.860 5.410 . 0 0 "[ . 1 . 2]" 1
296 1 30 PRO QG 1 31 SER H 0.000 . 5.490 4.438 3.912 4.754 . 0 0 "[ . 1 . 2]" 1
297 1 30 PRO QG 1 33 TRP HB2 0.000 . 5.780 3.312 2.590 3.625 . 0 0 "[ . 1 . 2]" 1
298 1 30 PRO QG 1 33 TRP HB3 0.000 . 5.500 4.189 3.704 4.432 . 0 0 "[ . 1 . 2]" 1
299 1 30 PRO QG 1 33 TRP HD1 0.000 . 3.860 2.547 2.445 2.655 . 0 0 "[ . 1 . 2]" 1
300 1 30 PRO QG 1 33 TRP HE1 0.000 . 4.590 2.944 2.638 3.387 . 0 0 "[ . 1 . 2]" 1
301 1 30 PRO HG2 1 31 SER H 0.000 . 5.640 4.758 4.137 5.147 . 0 0 "[ . 1 . 2]" 1
302 1 30 PRO HG2 1 33 TRP HD1 0.000 . 4.320 2.567 2.461 2.680 . 0 0 "[ . 1 . 2]" 1
303 1 30 PRO HG2 1 33 TRP HE1 0.000 . 5.000 3.010 2.678 3.565 . 0 0 "[ . 1 . 2]" 1
304 1 30 PRO HG3 1 31 SER H 0.000 . 5.640 5.313 4.806 5.588 . 0 0 "[ . 1 . 2]" 1
305 1 30 PRO HG3 1 33 TRP HD1 0.000 . 4.320 4.283 3.990 4.348 0.028 8 0 "[ . 1 . 2]" 1
306 1 30 PRO HG3 1 33 TRP HE1 0.000 . 5.000 4.211 3.968 4.367 . 0 0 "[ . 1 . 2]" 1
307 1 31 SER H 1 31 SER HA 0.000 . 2.690 2.762 2.702 2.837 0.147 14 0 "[ . 1 . 2]" 1
308 1 31 SER H 1 32 GLY H 0.000 . 4.130 4.120 3.665 4.253 0.123 14 0 "[ . 1 . 2]" 1
309 1 31 SER H 1 33 TRP HD1 0.000 . 5.030 5.045 4.701 5.121 0.091 11 0 "[ . 1 . 2]" 1
310 1 31 SER HA 1 32 GLY H 0.000 . 2.470 1.924 1.871 1.995 . 0 0 "[ . 1 . 2]" 1
311 1 31 SER HA 1 33 TRP H 0.000 . 2.890 2.994 2.947 3.039 0.149 12 0 "[ . 1 . 2]" 1
312 1 32 GLY H 1 32 GLY HA2 0.000 . 2.920 2.596 2.448 2.734 . 0 0 "[ . 1 . 2]" 1
313 1 32 GLY H 1 32 GLY HA3 0.000 . 2.920 2.951 2.917 2.972 0.052 8 0 "[ . 1 . 2]" 1
314 1 32 GLY H 1 33 TRP H 0.000 . 2.900 1.690 1.458 2.102 0.322 12 0 "[ . 1 . 2]" 1
315 1 32 GLY H 1 33 TRP HB2 0.000 . 4.100 3.862 3.496 4.144 0.044 14 0 "[ . 1 . 2]" 1
316 1 32 GLY H 1 33 TRP HD1 0.000 . 4.880 3.831 3.451 4.314 . 0 0 "[ . 1 . 2]" 1
317 1 32 GLY QA 1 33 TRP HD1 0.000 . 4.060 2.927 2.731 3.090 . 0 0 "[ . 1 . 2]" 1
318 1 32 GLY QA 1 33 TRP HE1 0.000 . 5.850 4.628 4.402 4.878 . 0 0 "[ . 1 . 2]" 1
319 1 32 GLY HA2 1 33 TRP HD1 0.000 . 4.450 4.267 4.056 4.490 0.040 19 0 "[ . 1 . 2]" 1
320 1 32 GLY HA3 1 33 TRP HD1 0.000 . 4.450 2.981 2.774 3.151 . 0 0 "[ . 1 . 2]" 1
321 1 33 TRP H 1 33 TRP HB2 0.000 . 3.390 2.330 2.197 2.398 . 0 0 "[ . 1 . 2]" 1
322 1 33 TRP H 1 33 TRP HB3 0.000 . 3.680 3.539 3.478 3.606 . 0 0 "[ . 1 . 2]" 1
323 1 33 TRP H 1 33 TRP HD1 0.000 . 3.520 2.860 2.706 3.232 . 0 0 "[ . 1 . 2]" 1
324 1 33 TRP H 1 34 HIS H 0.000 . 3.920 4.097 4.057 4.133 0.213 8 0 "[ . 1 . 2]" 1
325 1 33 TRP HA 1 34 HIS H 0.000 . 2.910 2.740 2.340 2.930 0.020 10 0 "[ . 1 . 2]" 1
326 1 33 TRP HB2 1 33 TRP HE3 0.000 . 3.540 3.545 3.433 3.600 0.060 14 0 "[ . 1 . 2]" 1
327 1 33 TRP HB2 1 34 HIS H 0.000 . 3.640 3.204 2.978 3.642 0.002 19 0 "[ . 1 . 2]" 1
328 1 33 TRP HB3 1 33 TRP HE3 0.000 . 3.290 2.045 1.967 2.108 . 0 0 "[ . 1 . 2]" 1
329 1 33 TRP HB3 1 33 TRP HZ3 0.000 . 4.970 4.459 4.399 4.529 . 0 0 "[ . 1 . 2]" 1
330 1 33 TRP HB3 1 34 HIS H 0.000 . 3.630 2.033 1.867 2.508 . 0 0 "[ . 1 . 2]" 1
331 1 33 TRP HB3 1 48 LYS H 0.000 . 4.460 3.599 3.392 3.921 . 0 0 "[ . 1 . 2]" 1
332 1 33 TRP HD1 1 49 GLN QG 0.000 . 6.470 3.445 3.252 3.971 . 0 0 "[ . 1 . 2]" 1
333 1 33 TRP HE1 1 49 GLN HE22 0.000 . 4.580 4.185 3.144 4.615 0.035 5 0 "[ . 1 . 2]" 1
334 1 33 TRP HE1 1 49 GLN QG 0.000 . 6.010 3.046 2.741 3.311 . 0 0 "[ . 1 . 2]" 1
335 1 33 TRP HE3 1 34 HIS H 0.000 . 3.920 3.220 3.042 3.466 . 0 0 "[ . 1 . 2]" 1
336 1 33 TRP HE3 1 48 LYS H 0.000 . 3.870 2.821 2.565 3.036 . 0 0 "[ . 1 . 2]" 1
337 1 33 TRP HE3 1 48 LYS HA 0.000 . 3.370 3.095 2.741 3.276 . 0 0 "[ . 1 . 2]" 1
338 1 33 TRP HE3 1 49 GLN H 0.000 . 3.860 3.698 3.389 3.899 0.039 7 0 "[ . 1 . 2]" 1
339 1 33 TRP HE3 1 49 GLN QG 0.000 . 5.460 3.876 3.523 4.039 . 0 0 "[ . 1 . 2]" 1
340 1 33 TRP HH2 1 48 LYS HA 0.000 . 4.060 4.109 4.087 4.142 0.082 19 0 "[ . 1 . 2]" 1
341 1 33 TRP HH2 1 49 GLN QG 0.000 . 5.540 4.508 4.037 4.773 . 0 0 "[ . 1 . 2]" 1
342 1 33 TRP HZ2 1 49 GLN QG 0.000 . 4.550 3.623 3.246 3.911 . 0 0 "[ . 1 . 2]" 1
343 1 33 TRP HZ3 1 47 CYS QB 0.000 . 5.100 3.684 3.446 3.933 . 0 0 "[ . 1 . 2]" 1
344 1 33 TRP HZ3 1 48 LYS HA 0.000 . 3.440 2.104 1.927 2.244 . 0 0 "[ . 1 . 2]" 1
345 1 33 TRP HZ3 1 49 GLN QG 0.000 . 5.420 4.599 4.333 4.800 . 0 0 "[ . 1 . 2]" 1
346 1 34 HIS H 1 34 HIS HA 0.000 . 2.730 2.887 2.864 2.908 0.178 4 0 "[ . 1 . 2]" 1
347 1 34 HIS H 1 34 HIS HB2 0.000 . 3.810 2.819 2.318 3.355 . 0 0 "[ . 1 . 2]" 1
348 1 34 HIS H 1 34 HIS QB 0.000 . 3.490 2.625 2.291 2.790 . 0 0 "[ . 1 . 2]" 1
349 1 34 HIS H 1 34 HIS HB3 0.000 . 3.810 3.519 2.645 3.844 0.034 7 0 "[ . 1 . 2]" 1
350 1 34 HIS H 1 34 HIS HD2 0.000 . 4.970 4.809 3.424 5.049 0.079 19 0 "[ . 1 . 2]" 1
351 1 34 HIS H 1 48 LYS H 0.000 . 3.090 3.164 3.093 3.233 0.143 16 0 "[ . 1 . 2]" 1
352 1 34 HIS H 1 49 GLN HA 0.000 . 3.690 3.181 2.742 3.627 . 0 0 "[ . 1 . 2]" 1
353 1 34 HIS HA 1 35 ASN H 0.000 . 3.230 3.312 3.242 3.350 0.120 3 0 "[ . 1 . 2]" 1
354 1 34 HIS HB2 1 35 ASN H 0.000 . 3.690 2.452 1.902 3.459 . 0 0 "[ . 1 . 2]" 1
355 1 34 HIS HB3 1 35 ASN H 0.000 . 3.690 2.131 1.882 2.681 . 0 0 "[ . 1 . 2]" 1
356 1 35 ASN H 1 35 ASN QB 0.000 . 3.750 3.399 3.247 3.481 . 0 0 "[ . 1 . 2]" 1
357 1 35 ASN H 1 35 ASN HD22 0.000 . 4.710 4.183 3.595 4.741 0.031 18 0 "[ . 1 . 2]" 1
358 1 35 ASN H 1 36 CYS H 0.000 . 4.570 4.175 4.065 4.324 . 0 0 "[ . 1 . 2]" 1
359 1 35 ASN H 1 48 LYS HB2 0.000 3.500 50.000 5.463 4.154 5.939 . 0 0 "[ . 1 . 2]" 1
360 1 35 ASN H 1 48 LYS HB3 0.000 3.500 50.000 5.166 3.840 5.810 . 0 0 "[ . 1 . 2]" 1
361 1 35 ASN HA 1 36 CYS H 0.000 . 2.810 2.240 2.077 2.426 . 0 0 "[ . 1 . 2]" 1
362 1 35 ASN HA 1 47 CYS HA 0.000 . 3.470 2.975 2.266 3.497 0.027 16 0 "[ . 1 . 2]" 1
363 1 35 ASN HA 1 48 LYS H 0.000 . 3.420 3.395 2.880 3.535 0.115 16 0 "[ . 1 . 2]" 1
364 1 35 ASN QB 1 35 ASN HD22 0.000 . 3.770 3.382 3.254 3.455 . 0 0 "[ . 1 . 2]" 1
365 1 35 ASN QB 1 36 CYS H 0.000 . 3.980 2.876 2.618 3.217 . 0 0 "[ . 1 . 2]" 1
366 1 35 ASN HB2 1 36 CYS H 0.000 . 4.440 2.951 2.659 3.330 . 0 0 "[ . 1 . 2]" 1
367 1 35 ASN HB3 1 36 CYS H 0.000 . 4.440 4.023 3.881 4.257 . 0 0 "[ . 1 . 2]" 1
368 1 36 CYS H 1 37 LYS H 0.000 . 3.070 1.965 1.648 2.390 0.132 1 0 "[ . 1 . 2]" 1
369 1 36 CYS H 1 37 LYS HB2 0.000 . 4.650 4.036 3.601 4.521 . 0 0 "[ . 1 . 2]" 1
370 1 36 CYS H 1 46 CYS H 0.000 . 6.100 5.927 5.446 6.153 0.053 2 0 "[ . 1 . 2]" 1
371 1 36 CYS H 1 47 CYS HA 0.000 . 3.140 2.469 1.810 3.085 . 0 0 "[ . 1 . 2]" 1
372 1 36 CYS HA 1 37 LYS H 0.000 . 3.640 3.463 3.124 3.599 . 0 0 "[ . 1 . 2]" 1
373 1 37 LYS H 1 37 LYS HA 0.000 . 2.870 2.917 2.900 2.941 0.071 19 0 "[ . 1 . 2]" 1
374 1 37 LYS H 1 37 LYS HB2 0.000 . 3.500 2.394 2.162 2.851 . 0 0 "[ . 1 . 2]" 1
375 1 37 LYS H 1 37 LYS HB3 0.000 . 4.030 3.625 3.471 3.907 . 0 0 "[ . 1 . 2]" 1
376 1 37 LYS H 1 37 LYS QG 0.000 . 5.050 2.941 2.386 3.498 . 0 0 "[ . 1 . 2]" 1
377 1 37 LYS H 1 38 ALA H 0.000 . 4.190 3.747 2.952 4.185 . 0 0 "[ . 1 . 2]" 1
378 1 37 LYS H 1 47 CYS HA 0.000 3.500 50.000 3.089 2.774 3.849 0.726 14 10 "[ * .* *1* *+* -* *]" 1
379 1 37 LYS HA 1 37 LYS QD 0.000 . 5.060 2.321 1.932 3.697 . 0 0 "[ . 1 . 2]" 1
380 1 37 LYS HA 1 38 ALA H 0.000 . 2.490 2.222 2.039 2.490 . 0 0 "[ . 1 . 2]" 1
381 1 37 LYS HB2 1 37 LYS QE 0.000 . 4.290 3.555 3.332 3.951 . 0 0 "[ . 1 . 2]" 1
382 1 37 LYS HB2 1 38 ALA H 0.000 . 4.390 4.397 4.260 4.464 0.074 7 0 "[ . 1 . 2]" 1
383 1 37 LYS HB2 1 39 HIS H 0.000 . 4.270 4.137 3.834 4.304 0.034 11 0 "[ . 1 . 2]" 1
384 1 37 LYS HB2 1 46 CYS H 0.000 . 5.130 3.308 2.813 3.665 . 0 0 "[ . 1 . 2]" 1
385 1 37 LYS HB2 1 46 CYS HB3 0.000 . 4.220 2.484 2.059 3.335 . 0 0 "[ . 1 . 2]" 1
386 1 37 LYS HB3 1 37 LYS QE 0.000 . 4.360 2.417 1.967 3.292 . 0 0 "[ . 1 . 2]" 1
387 1 37 LYS HB3 1 38 ALA H 0.000 . 4.290 4.091 3.771 4.330 0.040 15 0 "[ . 1 . 2]" 1
388 1 37 LYS HB3 1 39 HIS H 0.000 . 3.890 3.137 2.695 3.481 . 0 0 "[ . 1 . 2]" 1
389 1 37 LYS HB3 1 46 CYS H 0.000 . 5.010 4.034 3.601 4.293 . 0 0 "[ . 1 . 2]" 1
390 1 37 LYS HB3 1 46 CYS HB3 0.000 . 3.340 3.391 3.334 3.430 0.090 19 0 "[ . 1 . 2]" 1
391 1 37 LYS QD 1 46 CYS HB3 0.000 . 4.700 3.855 2.171 4.257 . 0 0 "[ . 1 . 2]" 1
392 1 37 LYS QG 1 38 ALA H 0.000 . 6.050 4.701 4.404 4.913 . 0 0 "[ . 1 . 2]" 1
393 1 37 LYS QG 1 46 CYS H 0.000 . 5.500 4.385 3.931 4.695 . 0 0 "[ . 1 . 2]" 1
394 1 37 LYS QG 1 46 CYS HB3 0.000 . 5.550 1.923 1.829 2.171 . 0 0 "[ . 1 . 2]" 1
395 1 38 ALA H 1 39 HIS H 0.000 . 3.220 2.851 2.270 3.253 0.033 5 0 "[ . 1 . 2]" 1
396 1 38 ALA HA 1 39 HIS H 0.000 . 3.180 3.047 2.554 3.251 0.071 1 0 "[ . 1 . 2]" 1
397 1 38 ALA MB 1 39 HIS HD2 0.000 . 5.240 3.672 2.424 4.239 . 0 0 "[ . 1 . 2]" 1
398 1 39 HIS H 1 39 HIS HB2 0.000 . 3.880 2.720 2.389 3.808 . 0 0 "[ . 1 . 2]" 1
399 1 39 HIS H 1 39 HIS QB 0.000 . 3.580 2.631 2.358 2.989 . 0 0 "[ . 1 . 2]" 1
400 1 39 HIS H 1 39 HIS HB3 0.000 . 3.880 3.761 3.124 3.900 0.020 16 0 "[ . 1 . 2]" 1
401 1 39 HIS QB 1 40 GLY H 0.000 . 3.770 2.605 1.820 3.447 . 0 0 "[ . 1 . 2]" 1
402 1 39 HIS HB2 1 40 GLY H 0.000 . 3.950 2.771 1.937 3.770 . 0 0 "[ . 1 . 2]" 1
403 1 39 HIS HB3 1 40 GLY H 0.000 . 3.950 3.339 1.931 4.018 0.068 19 0 "[ . 1 . 2]" 1
404 1 40 GLY H 1 40 GLY HA2 0.000 . 2.940 2.769 2.557 2.977 0.037 10 0 "[ . 1 . 2]" 1
405 1 40 GLY H 1 40 GLY QA 0.000 . 2.600 2.410 2.206 2.497 . 0 0 "[ . 1 . 2]" 1
406 1 40 GLY H 1 40 GLY HA3 0.000 . 2.940 2.728 2.361 2.973 0.033 17 0 "[ . 1 . 2]" 1
407 1 40 GLY HA2 1 41 PRO HA 0.000 . 3.450 3.314 2.296 3.547 0.097 16 0 "[ . 1 . 2]" 1
408 1 40 GLY HA3 1 41 PRO HA 0.000 . 3.450 2.198 1.968 3.112 . 0 0 "[ . 1 . 2]" 1
409 1 41 PRO HA 1 42 THR H 0.000 . 3.310 2.580 2.200 2.987 . 0 0 "[ . 1 . 2]" 1
410 1 41 PRO HA 1 43 ILE H 0.000 . 4.110 4.122 4.043 4.160 0.050 15 0 "[ . 1 . 2]" 1
411 1 41 PRO QB 1 42 THR H 0.000 . 4.510 2.380 1.871 4.010 . 0 0 "[ . 1 . 2]" 1
412 1 41 PRO QB 1 43 ILE H 0.000 . 5.630 2.720 2.300 3.379 . 0 0 "[ . 1 . 2]" 1
413 1 41 PRO HB2 1 44 GLY H 0.000 3.500 50.000 5.437 3.007 7.426 0.493 1 0 "[ . 1 . 2]" 1
414 1 41 PRO HB3 1 44 GLY H 0.000 3.500 50.000 6.755 4.401 8.615 . 0 0 "[ . 1 . 2]" 1
415 1 41 PRO QD 1 46 CYS HA 0.000 . 4.840 3.885 3.602 4.337 . 0 0 "[ . 1 . 2]" 1
416 1 41 PRO QD 1 46 CYS HB3 0.000 . 5.560 3.642 3.309 4.060 . 0 0 "[ . 1 . 2]" 1
417 1 41 PRO HD2 1 46 CYS H 0.000 . 4.260 2.966 2.476 3.800 . 0 0 "[ . 1 . 2]" 1
418 1 41 PRO HD3 1 46 CYS H 0.000 . 4.260 3.955 2.691 5.227 0.967 8 3 "[ . + 1* -. 2]" 1
419 1 42 THR H 1 42 THR HB 0.000 . 3.590 3.113 2.652 3.638 0.048 9 0 "[ . 1 . 2]" 1
420 1 42 THR H 1 43 ILE H 0.000 . 3.360 2.686 2.195 3.260 . 0 0 "[ . 1 . 2]" 1
421 1 42 THR H 1 44 GLY H 0.000 3.500 50.000 5.687 4.147 7.092 . 0 0 "[ . 1 . 2]" 1
422 1 42 THR HA 1 43 ILE H 0.000 . 3.390 3.147 2.869 3.431 0.041 9 0 "[ . 1 . 2]" 1
423 1 42 THR MG 1 43 ILE H 0.000 . 5.750 3.864 2.866 4.502 . 0 0 "[ . 1 . 2]" 1
424 1 43 ILE HB 1 44 GLY H 0.000 . 4.710 3.887 1.955 4.434 . 0 0 "[ . 1 . 2]" 1
425 1 43 ILE QG 1 44 GLY H 0.000 . 5.360 3.889 1.974 4.811 . 0 0 "[ . 1 . 2]" 1
426 1 44 GLY QA 1 45 TRP H 0.000 . 2.720 2.355 2.267 2.426 . 0 0 "[ . 1 . 2]" 1
427 1 44 GLY QA 1 45 TRP HD1 0.000 . 5.070 2.756 2.319 3.117 . 0 0 "[ . 1 . 2]" 1
428 1 44 GLY HA2 1 45 TRP H 0.000 . 3.030 2.707 2.348 3.036 0.006 17 0 "[ . 1 . 2]" 1
429 1 44 GLY HA3 1 45 TRP H 0.000 . 3.030 2.673 2.387 3.065 0.035 12 0 "[ . 1 . 2]" 1
430 1 45 TRP H 1 45 TRP HB2 0.000 . 3.730 2.756 2.617 2.998 . 0 0 "[ . 1 . 2]" 1
431 1 45 TRP H 1 45 TRP HB3 0.000 . 4.140 3.830 3.705 3.952 . 0 0 "[ . 1 . 2]" 1
432 1 45 TRP H 1 45 TRP HD1 0.000 . 3.810 2.428 1.898 2.890 . 0 0 "[ . 1 . 2]" 1
433 1 45 TRP HB2 1 45 TRP HD1 0.000 . 3.610 3.069 2.884 3.267 . 0 0 "[ . 1 . 2]" 1
434 1 45 TRP HB2 1 46 CYS H 0.000 . 5.420 3.690 3.163 4.045 . 0 0 "[ . 1 . 2]" 1
435 1 45 TRP HB3 1 45 TRP HE3 0.000 . 3.750 2.161 2.120 2.210 . 0 0 "[ . 1 . 2]" 1
436 1 45 TRP HE3 1 46 CYS H 0.000 . 5.030 4.307 3.724 4.916 . 0 0 "[ . 1 . 2]" 1
437 1 46 CYS H 1 46 CYS HB2 0.000 . 3.660 2.277 2.121 2.421 . 0 0 "[ . 1 . 2]" 1
438 1 46 CYS H 1 46 CYS HB3 0.000 . 3.920 3.508 3.404 3.636 . 0 0 "[ . 1 . 2]" 1
439 1 46 CYS HA 1 47 CYS H 0.000 . 2.500 2.132 2.073 2.200 . 0 0 "[ . 1 . 2]" 1
440 1 46 CYS HB3 1 47 CYS H 0.000 . 4.330 3.532 3.335 3.829 . 0 0 "[ . 1 . 2]" 1
441 1 47 CYS H 1 48 LYS H 0.000 . 4.320 4.315 4.242 4.346 0.026 15 0 "[ . 1 . 2]" 1
442 1 47 CYS HA 1 48 LYS H 0.000 . 2.760 2.715 2.527 2.768 0.008 18 0 "[ . 1 . 2]" 1
443 1 47 CYS QB 1 48 LYS H 0.000 . 4.360 2.645 2.040 2.784 . 0 0 "[ . 1 . 2]" 1
444 1 48 LYS H 1 48 LYS HB2 0.000 . 4.040 3.812 2.861 4.026 . 0 0 "[ . 1 . 2]" 1
445 1 48 LYS H 1 48 LYS QB 0.000 . 3.750 3.139 2.769 3.343 . 0 0 "[ . 1 . 2]" 1
446 1 48 LYS H 1 48 LYS HB3 0.000 . 4.040 3.381 2.938 3.932 . 0 0 "[ . 1 . 2]" 1
447 1 48 LYS HA 1 49 GLN H 0.000 . 2.690 2.466 2.322 2.589 . 0 0 "[ . 1 . 2]" 1
448 1 48 LYS HA 1 49 GLN QG 0.000 . 5.930 5.021 4.790 5.281 . 0 0 "[ . 1 . 2]" 1
449 1 48 LYS QB 1 49 GLN H 0.000 . 3.840 2.797 2.242 3.514 . 0 0 "[ . 1 . 2]" 1
450 1 48 LYS HB2 1 49 GLN H 0.000 . 4.160 2.980 2.264 4.150 . 0 0 "[ . 1 . 2]" 1
451 1 48 LYS HB3 1 49 GLN H 0.000 . 4.160 3.909 2.836 4.174 0.014 1 0 "[ . 1 . 2]" 1
452 1 49 GLN H 1 49 GLN HB2 0.000 . 3.310 2.070 1.905 2.263 . 0 0 "[ . 1 . 2]" 1
453 1 49 GLN H 1 49 GLN HG2 0.000 . 3.940 4.049 3.987 4.076 0.136 3 0 "[ . 1 . 2]" 1
454 1 49 GLN H 1 49 GLN QG 0.000 . 3.660 3.433 3.369 3.532 . 0 0 "[ . 1 . 2]" 1
455 1 49 GLN H 1 49 GLN HG3 0.000 . 3.940 3.714 3.597 3.943 0.003 20 0 "[ . 1 . 2]" 1
456 1 49 GLN HA 1 49 GLN QG 0.000 . 3.780 1.972 1.908 2.030 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, April 19, 2024 7:23:56 AM GMT (wattos1)