NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
431768 |
2jr3   |
15318 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jr3
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 718
_Distance_constraint_stats_list.Viol_count 1255
_Distance_constraint_stats_list.Viol_total 1515.717
_Distance_constraint_stats_list.Viol_max 0.305
_Distance_constraint_stats_list.Viol_rms 0.0248
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0604
_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 ASP 0.111 0.056 7 0 "[ . 1 . 2]"
1 3 THR 0.151 0.056 7 0 "[ . 1 . 2]"
1 4 PRO 0.104 0.021 18 0 "[ . 1 . 2]"
1 5 SER 0.001 0.001 5 0 "[ . 1 . 2]"
1 6 SER 0.679 0.064 17 0 "[ . 1 . 2]"
1 7 ARG 3.527 0.140 12 0 "[ . 1 . 2]"
1 8 CYS 2.653 0.157 11 0 "[ . 1 . 2]"
1 9 GLY 0.078 0.042 18 0 "[ . 1 . 2]"
1 10 SER 0.058 0.034 14 0 "[ . 1 . 2]"
1 11 GLY 0.177 0.019 9 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TRP 13.515 0.213 6 0 "[ . 1 . 2]"
1 14 GLY 1.981 0.104 6 0 "[ . 1 . 2]"
1 15 PRO 0.025 0.016 5 0 "[ . 1 . 2]"
1 16 CYS 9.951 0.186 3 0 "[ . 1 . 2]"
1 17 LEU 1.550 0.046 11 0 "[ . 1 . 2]"
1 18 PRO 0.048 0.011 17 0 "[ . 1 . 2]"
1 19 ILE 3.888 0.132 19 0 "[ . 1 . 2]"
1 20 VAL 3.673 0.177 15 0 "[ . 1 . 2]"
1 21 ASP 0.014 0.011 17 0 "[ . 1 . 2]"
1 22 LEU 6.181 0.155 4 0 "[ . 1 . 2]"
1 23 LEU 9.974 0.305 18 0 "[ . 1 . 2]"
1 24 CYS 13.787 0.305 18 0 "[ . 1 . 2]"
1 25 ILE 0.650 0.127 12 0 "[ . 1 . 2]"
1 26 VAL 1.152 0.086 12 0 "[ . 1 . 2]"
1 27 HIS 10.503 0.155 20 0 "[ . 1 . 2]"
1 28 VAL 12.245 0.213 6 0 "[ . 1 . 2]"
1 29 THR 3.236 0.135 15 0 "[ . 1 . 2]"
1 30 VAL 2.938 0.108 10 0 "[ . 1 . 2]"
1 31 GLY 0.298 0.038 12 0 "[ . 1 . 2]"
1 32 CYS 5.440 0.135 15 0 "[ . 1 . 2]"
1 33 SER 4.083 0.186 3 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.494 0.045 2 0 "[ . 1 . 2]"
1 36 PHE 3.892 0.139 2 0 "[ . 1 . 2]"
1 37 GLY 4.078 0.177 15 0 "[ . 1 . 2]"
1 38 CYS 3.599 0.157 11 0 "[ . 1 . 2]"
1 39 CYS 4.225 0.128 11 0 "[ . 1 . 2]"
1 40 ARG 9.133 0.151 17 0 "[ . 1 . 2]"
1 41 ILE 0.145 0.029 4 0 "[ . 1 . 2]"
1 42 GLY 0.315 0.043 9 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 ASP H 1 3 THR H . . 4.270 3.639 2.780 4.326 0.056 7 0 "[ . 1 . 2]" 1
2 1 2 ASP HA 1 3 THR H . . 3.190 2.371 2.139 2.724 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASP QB 1 3 THR H . . 4.440 3.564 1.960 4.031 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASP HB2 1 3 THR H . . 5.100 4.179 2.818 4.657 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASP HB3 1 3 THR H . . 5.100 3.988 1.999 4.653 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR H 1 3 THR HB . . 3.710 3.409 2.913 3.655 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR H 1 3 THR MG . . 4.290 3.339 2.186 4.022 . 0 0 "[ . 1 . 2]" 1
8 1 3 THR HA 1 4 PRO HD2 . . 3.220 2.374 1.959 2.490 . 0 0 "[ . 1 . 2]" 1
9 1 3 THR HA 1 4 PRO HD3 . . 3.920 2.408 2.268 2.701 . 0 0 "[ . 1 . 2]" 1
10 1 3 THR HB 1 4 PRO HD2 . . 4.620 2.667 2.021 4.631 0.011 13 0 "[ . 1 . 2]" 1
11 1 4 PRO HA 1 5 SER H . . 2.690 2.619 2.587 2.644 . 0 0 "[ . 1 . 2]" 1
12 1 4 PRO QB 1 5 SER H . . 3.860 2.085 2.035 2.150 . 0 0 "[ . 1 . 2]" 1
13 1 4 PRO QB 1 5 SER QB . . 5.200 3.948 3.709 4.437 . 0 0 "[ . 1 . 2]" 1
14 1 4 PRO HD2 1 5 SER H . . 5.420 5.387 5.360 5.421 0.001 5 0 "[ . 1 . 2]" 1
15 1 4 PRO HD2 1 13 TRP HE1 . . 5.490 5.054 4.751 5.380 . 0 0 "[ . 1 . 2]" 1
16 1 4 PRO HD2 1 13 TRP HZ2 . . 4.350 3.896 3.603 4.272 . 0 0 "[ . 1 . 2]" 1
17 1 4 PRO HD2 1 28 VAL MG2 . . 5.500 3.769 3.215 4.157 . 0 0 "[ . 1 . 2]" 1
18 1 4 PRO HD3 1 13 TRP HZ2 . . 5.500 5.258 4.872 5.521 0.021 18 0 "[ . 1 . 2]" 1
19 1 4 PRO HG2 1 5 SER H . . 4.130 3.995 3.943 4.061 . 0 0 "[ . 1 . 2]" 1
20 1 4 PRO HG2 1 6 SER H . . 5.100 3.637 3.408 3.864 . 0 0 "[ . 1 . 2]" 1
21 1 4 PRO HG2 1 28 VAL MG2 . . 4.910 4.373 3.701 4.726 . 0 0 "[ . 1 . 2]" 1
22 1 5 SER H 1 5 SER QB . . 3.210 2.444 2.177 2.820 . 0 0 "[ . 1 . 2]" 1
23 1 5 SER H 1 6 SER H . . 3.760 3.645 3.516 3.752 . 0 0 "[ . 1 . 2]" 1
24 1 5 SER HA 1 6 SER H . . 2.730 2.520 2.458 2.594 . 0 0 "[ . 1 . 2]" 1
25 1 5 SER QB 1 6 SER H . . 4.200 3.954 3.896 4.034 . 0 0 "[ . 1 . 2]" 1
26 1 6 SER H 1 6 SER HB2 . . 3.140 2.525 2.260 2.640 . 0 0 "[ . 1 . 2]" 1
27 1 6 SER H 1 6 SER HB3 . . 3.890 3.613 3.174 3.735 . 0 0 "[ . 1 . 2]" 1
28 1 6 SER H 1 7 ARG H . . 4.610 4.404 4.350 4.527 . 0 0 "[ . 1 . 2]" 1
29 1 6 SER H 1 28 VAL MG1 . . 5.180 4.521 4.231 4.827 . 0 0 "[ . 1 . 2]" 1
30 1 6 SER H 1 28 VAL MG2 . . 4.850 4.133 3.687 4.533 . 0 0 "[ . 1 . 2]" 1
31 1 6 SER H 1 30 VAL MG1 . . 5.500 5.274 5.023 5.507 0.007 5 0 "[ . 1 . 2]" 1
32 1 6 SER H 1 30 VAL MG2 . . 5.170 4.393 4.203 4.744 . 0 0 "[ . 1 . 2]" 1
33 1 6 SER HA 1 7 ARG H . . 2.850 2.647 2.320 2.759 . 0 0 "[ . 1 . 2]" 1
34 1 6 SER HA 1 13 TRP HE1 . . 4.800 4.393 4.257 4.740 . 0 0 "[ . 1 . 2]" 1
35 1 6 SER HB2 1 7 ARG H . . 3.930 3.200 2.780 3.940 0.010 3 0 "[ . 1 . 2]" 1
36 1 6 SER HB2 1 13 TRP HD1 . . 4.310 4.079 3.710 4.347 0.037 7 0 "[ . 1 . 2]" 1
37 1 6 SER HB2 1 13 TRP HE1 . . 4.080 2.604 2.448 2.679 . 0 0 "[ . 1 . 2]" 1
38 1 6 SER HB2 1 28 VAL MG1 . . 4.020 3.389 2.964 4.084 0.064 17 0 "[ . 1 . 2]" 1
39 1 6 SER HB2 1 28 VAL MG2 . . 3.450 2.639 2.144 3.200 . 0 0 "[ . 1 . 2]" 1
40 1 6 SER HB2 1 30 VAL MG2 . . 5.450 4.720 4.332 5.455 0.005 2 0 "[ . 1 . 2]" 1
41 1 6 SER HB3 1 7 ARG H . . 3.430 2.135 1.924 2.661 . 0 0 "[ . 1 . 2]" 1
42 1 6 SER HB3 1 7 ARG HA . . 4.890 4.226 3.738 4.398 . 0 0 "[ . 1 . 2]" 1
43 1 6 SER HB3 1 13 TRP HB2 . . 5.500 5.106 4.906 5.264 . 0 0 "[ . 1 . 2]" 1
44 1 6 SER HB3 1 13 TRP HD1 . . 3.720 2.750 2.442 2.999 . 0 0 "[ . 1 . 2]" 1
45 1 6 SER HB3 1 13 TRP HE1 . . 3.530 2.033 1.918 2.415 . 0 0 "[ . 1 . 2]" 1
46 1 6 SER HB3 1 28 VAL MG1 . . 4.410 3.611 2.815 3.984 . 0 0 "[ . 1 . 2]" 1
47 1 6 SER HB3 1 28 VAL MG2 . . 3.920 3.255 2.529 3.780 . 0 0 "[ . 1 . 2]" 1
48 1 6 SER HB3 1 30 VAL MG2 . . 5.500 5.425 4.858 5.545 0.045 10 0 "[ . 1 . 2]" 1
49 1 7 ARG H 1 7 ARG QB . . 3.250 2.941 2.676 3.228 . 0 0 "[ . 1 . 2]" 1
50 1 7 ARG H 1 7 ARG QG . . 4.490 3.870 2.545 4.182 . 0 0 "[ . 1 . 2]" 1
51 1 7 ARG H 1 8 CYS H . . 4.930 4.251 4.158 4.406 . 0 0 "[ . 1 . 2]" 1
52 1 7 ARG H 1 8 CYS HA . . 5.060 4.761 4.660 5.065 0.005 20 0 "[ . 1 . 2]" 1
53 1 7 ARG H 1 10 SER H . . 5.320 4.152 3.759 4.563 . 0 0 "[ . 1 . 2]" 1
54 1 7 ARG H 1 13 TRP HD1 . . 4.400 2.801 2.591 3.394 . 0 0 "[ . 1 . 2]" 1
55 1 7 ARG H 1 13 TRP HE1 . . 4.550 3.725 3.394 4.551 0.001 20 0 "[ . 1 . 2]" 1
56 1 7 ARG H 1 28 VAL MG1 . . 4.560 3.493 3.123 4.137 . 0 0 "[ . 1 . 2]" 1
57 1 7 ARG H 1 28 VAL MG2 . . 5.190 4.268 3.738 5.138 . 0 0 "[ . 1 . 2]" 1
58 1 7 ARG HA 1 7 ARG QG . . 3.740 2.646 2.418 3.332 . 0 0 "[ . 1 . 2]" 1
59 1 7 ARG HA 1 7 ARG HH11 . . 5.070 4.839 4.107 5.134 0.064 9 0 "[ . 1 . 2]" 1
60 1 7 ARG HA 1 8 CYS H . . 2.470 2.283 2.219 2.482 0.012 10 0 "[ . 1 . 2]" 1
61 1 7 ARG HA 1 8 CYS HA . . 5.240 4.306 4.292 4.314 . 0 0 "[ . 1 . 2]" 1
62 1 7 ARG HA 1 8 CYS QB . . 5.140 4.530 4.397 4.739 . 0 0 "[ . 1 . 2]" 1
63 1 7 ARG HA 1 13 TRP HE1 . . 5.500 5.539 5.341 5.620 0.120 14 0 "[ . 1 . 2]" 1
64 1 7 ARG HA 1 28 VAL MG1 . . 3.150 2.487 2.026 2.727 . 0 0 "[ . 1 . 2]" 1
65 1 7 ARG HA 1 30 VAL H . . 4.390 3.499 3.019 3.801 . 0 0 "[ . 1 . 2]" 1
66 1 7 ARG HA 1 30 VAL HB . . 2.990 2.046 1.963 2.277 . 0 0 "[ . 1 . 2]" 1
67 1 7 ARG HA 1 30 VAL MG1 . . 4.300 3.358 3.027 3.653 . 0 0 "[ . 1 . 2]" 1
68 1 7 ARG QB 1 7 ARG QD . . 3.340 2.056 1.948 2.323 . 0 0 "[ . 1 . 2]" 1
69 1 7 ARG QB 1 7 ARG HH11 . . 3.800 2.516 1.908 3.908 0.108 9 0 "[ . 1 . 2]" 1
70 1 7 ARG QB 1 8 CYS H . . 3.900 3.308 2.349 3.583 . 0 0 "[ . 1 . 2]" 1
71 1 7 ARG QB 1 31 GLY H . . 5.340 4.888 3.801 5.338 . 0 0 "[ . 1 . 2]" 1
72 1 7 ARG HB2 1 7 ARG HH11 . . 4.410 3.014 1.950 4.519 0.109 9 0 "[ . 1 . 2]" 1
73 1 7 ARG HB2 1 30 VAL MG2 . . 5.500 4.294 3.993 5.485 . 0 0 "[ . 1 . 2]" 1
74 1 7 ARG HB3 1 7 ARG HH11 . . 4.410 2.950 1.949 4.277 . 0 0 "[ . 1 . 2]" 1
75 1 7 ARG HB3 1 30 VAL MG2 . . 5.500 5.229 3.811 5.543 0.043 9 0 "[ . 1 . 2]" 1
76 1 7 ARG QD 1 7 ARG HH11 . . 3.020 2.013 1.812 2.165 . 0 0 "[ . 1 . 2]" 1
77 1 7 ARG QD 1 10 SER QB . . 5.310 3.802 2.706 4.494 . 0 0 "[ . 1 . 2]" 1
78 1 7 ARG QD 1 30 VAL HB . . 5.320 3.812 3.141 4.634 . 0 0 "[ . 1 . 2]" 1
79 1 7 ARG QD 1 30 VAL MG1 . . 3.930 2.632 1.926 3.759 . 0 0 "[ . 1 . 2]" 1
80 1 7 ARG QD 1 30 VAL MG2 . . 5.500 4.734 4.214 5.547 0.047 13 0 "[ . 1 . 2]" 1
81 1 7 ARG QG 1 7 ARG HH11 . . 4.070 2.457 2.021 3.300 . 0 0 "[ . 1 . 2]" 1
82 1 7 ARG QG 1 8 CYS H . . 3.750 2.353 1.934 3.878 0.128 18 0 "[ . 1 . 2]" 1
83 1 7 ARG QG 1 13 TRP HD1 . . 5.500 5.419 4.442 5.640 0.140 12 0 "[ . 1 . 2]" 1
84 1 7 ARG QG 1 31 GLY H . . 5.500 4.207 3.574 5.534 0.034 10 0 "[ . 1 . 2]" 1
85 1 7 ARG QG 1 31 GLY QA . . 4.090 2.508 2.124 4.098 0.008 18 0 "[ . 1 . 2]" 1
86 1 7 ARG HH11 1 30 VAL MG1 . . 4.560 3.956 2.477 4.577 0.017 16 0 "[ . 1 . 2]" 1
87 1 7 ARG HH11 1 31 GLY HA2 . . 5.500 4.776 3.280 5.538 0.038 12 0 "[ . 1 . 2]" 1
88 1 7 ARG HH11 1 31 GLY HA3 . . 5.500 4.020 2.058 4.850 . 0 0 "[ . 1 . 2]" 1
89 1 7 ARG QH2 1 31 GLY QA . . 4.760 3.658 2.002 4.764 0.004 18 0 "[ . 1 . 2]" 1
90 1 8 CYS H 1 8 CYS QB . . 2.770 2.429 2.307 2.523 . 0 0 "[ . 1 . 2]" 1
91 1 8 CYS H 1 28 VAL MG1 . . 3.200 3.032 2.793 3.215 0.015 18 0 "[ . 1 . 2]" 1
92 1 8 CYS H 1 28 VAL MG2 . . 5.500 5.344 5.118 5.523 0.023 17 0 "[ . 1 . 2]" 1
93 1 8 CYS H 1 30 VAL H . . 4.250 3.387 3.214 3.552 . 0 0 "[ . 1 . 2]" 1
94 1 8 CYS H 1 30 VAL HB . . 3.400 3.301 3.114 3.460 0.060 17 0 "[ . 1 . 2]" 1
95 1 8 CYS H 1 30 VAL MG1 . . 4.330 4.224 4.031 4.372 0.042 18 0 "[ . 1 . 2]" 1
96 1 8 CYS H 1 30 VAL MG2 . . 4.780 4.520 4.315 4.749 . 0 0 "[ . 1 . 2]" 1
97 1 8 CYS H 1 31 GLY QA . . 3.720 3.520 3.386 3.707 . 0 0 "[ . 1 . 2]" 1
98 1 8 CYS HA 1 9 GLY H . . 2.650 2.145 2.142 2.152 . 0 0 "[ . 1 . 2]" 1
99 1 8 CYS HA 1 9 GLY QA . . 4.530 3.912 3.896 3.916 . 0 0 "[ . 1 . 2]" 1
100 1 8 CYS HA 1 13 TRP H . . 4.750 4.525 4.408 4.652 . 0 0 "[ . 1 . 2]" 1
101 1 8 CYS HA 1 13 TRP HA . . 5.500 4.631 4.498 4.716 . 0 0 "[ . 1 . 2]" 1
102 1 8 CYS HA 1 13 TRP HB3 . . 3.860 2.861 2.726 2.978 . 0 0 "[ . 1 . 2]" 1
103 1 8 CYS HA 1 13 TRP HD1 . . 4.380 3.972 3.867 4.127 . 0 0 "[ . 1 . 2]" 1
104 1 8 CYS QB 1 9 GLY H . . 3.450 3.325 3.282 3.492 0.042 18 0 "[ . 1 . 2]" 1
105 1 8 CYS QB 1 9 GLY QA . . 4.340 3.819 3.797 3.882 . 0 0 "[ . 1 . 2]" 1
106 1 8 CYS QB 1 13 TRP HB2 . . 5.340 4.040 3.969 4.115 . 0 0 "[ . 1 . 2]" 1
107 1 8 CYS QB 1 13 TRP HB3 . . 4.760 4.362 4.259 4.470 . 0 0 "[ . 1 . 2]" 1
108 1 8 CYS QB 1 15 PRO HA . . 4.160 3.442 3.197 3.656 . 0 0 "[ . 1 . 2]" 1
109 1 8 CYS QB 1 16 CYS HA . . 4.470 3.497 3.301 3.672 . 0 0 "[ . 1 . 2]" 1
110 1 8 CYS QB 1 17 LEU H . . 5.340 5.096 4.930 5.242 . 0 0 "[ . 1 . 2]" 1
111 1 8 CYS QB 1 28 VAL MG1 . . 4.780 4.228 3.991 4.414 . 0 0 "[ . 1 . 2]" 1
112 1 8 CYS QB 1 31 GLY QA . . 4.020 3.415 3.205 3.662 . 0 0 "[ . 1 . 2]" 1
113 1 8 CYS QB 1 32 CYS H . . 4.880 3.858 3.549 4.097 . 0 0 "[ . 1 . 2]" 1
114 1 8 CYS QB 1 38 CYS HA . . 5.330 5.423 5.346 5.487 0.157 11 0 "[ . 1 . 2]" 1
115 1 8 CYS QB 1 38 CYS QB . . 3.500 3.326 3.098 3.556 0.056 8 0 "[ . 1 . 2]" 1
116 1 9 GLY H 1 9 GLY QA . . 2.530 2.222 2.210 2.247 . 0 0 "[ . 1 . 2]" 1
117 1 9 GLY H 1 13 TRP HB2 . . 2.870 2.415 2.162 2.706 . 0 0 "[ . 1 . 2]" 1
118 1 9 GLY H 1 13 TRP HB3 . . 4.000 3.756 3.505 4.011 0.011 3 0 "[ . 1 . 2]" 1
119 1 9 GLY H 1 14 GLY H . . 4.970 4.438 4.350 4.533 . 0 0 "[ . 1 . 2]" 1
120 1 9 GLY H 1 14 GLY HA3 . . 5.150 4.955 4.879 5.043 . 0 0 "[ . 1 . 2]" 1
121 1 9 GLY H 1 15 PRO HA . . 4.470 4.188 3.997 4.332 . 0 0 "[ . 1 . 2]" 1
122 1 9 GLY H 1 38 CYS HB2 . . 5.210 4.726 4.523 5.005 . 0 0 "[ . 1 . 2]" 1
123 1 9 GLY H 1 38 CYS QB . . 4.530 4.264 3.999 4.455 . 0 0 "[ . 1 . 2]" 1
124 1 9 GLY H 1 38 CYS HB3 . . 5.210 4.877 4.455 5.234 0.024 18 0 "[ . 1 . 2]" 1
125 1 9 GLY QA 1 10 SER HA . . 5.010 4.005 3.989 4.009 . 0 0 "[ . 1 . 2]" 1
126 1 9 GLY QA 1 15 PRO HA . . 4.090 3.029 2.885 3.280 . 0 0 "[ . 1 . 2]" 1
127 1 10 SER H 1 10 SER HB2 . . 3.730 2.927 2.480 3.764 0.034 14 0 "[ . 1 . 2]" 1
128 1 10 SER H 1 10 SER QB . . 3.200 2.498 2.416 2.596 . 0 0 "[ . 1 . 2]" 1
129 1 10 SER H 1 10 SER HB3 . . 3.730 2.857 2.523 3.677 . 0 0 "[ . 1 . 2]" 1
130 1 10 SER H 1 11 GLY H . . 4.310 1.889 1.881 1.897 . 0 0 "[ . 1 . 2]" 1
131 1 10 SER H 1 12 GLY H . . 5.500 4.727 4.548 5.012 . 0 0 "[ . 1 . 2]" 1
132 1 10 SER H 1 13 TRP H . . 4.580 3.803 3.635 4.017 . 0 0 "[ . 1 . 2]" 1
133 1 10 SER H 1 13 TRP HD1 . . 4.720 3.635 3.378 3.977 . 0 0 "[ . 1 . 2]" 1
134 1 10 SER HA 1 11 GLY HA2 . . 5.500 4.502 4.489 4.534 . 0 0 "[ . 1 . 2]" 1
135 1 10 SER QB 1 11 GLY H . . 3.790 3.058 2.685 3.606 . 0 0 "[ . 1 . 2]" 1
136 1 10 SER HB2 1 11 GLY H . . 4.330 3.936 2.991 4.344 0.014 14 0 "[ . 1 . 2]" 1
137 1 10 SER HB3 1 11 GLY H . . 4.330 3.239 2.727 3.971 . 0 0 "[ . 1 . 2]" 1
138 1 11 GLY H 1 11 GLY HA3 . . 2.760 2.651 2.584 2.705 . 0 0 "[ . 1 . 2]" 1
139 1 11 GLY H 1 12 GLY H . . 3.330 3.125 2.956 3.316 . 0 0 "[ . 1 . 2]" 1
140 1 11 GLY H 1 12 GLY QA . . 4.830 4.330 4.263 4.451 . 0 0 "[ . 1 . 2]" 1
141 1 11 GLY H 1 13 TRP H . . 4.520 2.914 2.756 3.008 . 0 0 "[ . 1 . 2]" 1
142 1 11 GLY H 1 13 TRP HE1 . . 5.500 5.455 5.119 5.519 0.019 9 0 "[ . 1 . 2]" 1
143 1 11 GLY HA3 1 12 GLY H . . 3.450 2.255 2.187 2.297 . 0 0 "[ . 1 . 2]" 1
144 1 11 GLY HA3 1 13 TRP HD1 . . 4.740 4.026 3.812 4.324 . 0 0 "[ . 1 . 2]" 1
145 1 12 GLY H 1 12 GLY QA . . 2.570 2.309 2.288 2.326 . 0 0 "[ . 1 . 2]" 1
146 1 12 GLY H 1 13 TRP H . . 2.890 2.143 2.076 2.227 . 0 0 "[ . 1 . 2]" 1
147 1 12 GLY H 1 13 TRP HA . . 5.170 4.726 4.675 4.792 . 0 0 "[ . 1 . 2]" 1
148 1 12 GLY H 1 13 TRP HD1 . . 4.170 3.202 3.075 3.476 . 0 0 "[ . 1 . 2]" 1
149 1 12 GLY H 1 13 TRP HE1 . . 5.080 4.067 4.009 4.153 . 0 0 "[ . 1 . 2]" 1
150 1 12 GLY QA 1 40 ARG HA . . 4.550 3.880 3.366 4.026 . 0 0 "[ . 1 . 2]" 1
151 1 12 GLY HA2 1 13 TRP H . . 3.500 3.348 3.346 3.354 . 0 0 "[ . 1 . 2]" 1
152 1 12 GLY HA3 1 13 TRP H . . 3.500 3.197 3.191 3.201 . 0 0 "[ . 1 . 2]" 1
153 1 13 TRP H 1 13 TRP HB2 . . 2.960 2.707 2.693 2.729 . 0 0 "[ . 1 . 2]" 1
154 1 13 TRP H 1 13 TRP HB3 . . 3.790 3.636 3.634 3.638 . 0 0 "[ . 1 . 2]" 1
155 1 13 TRP H 1 13 TRP HD1 . . 3.210 2.545 2.470 2.738 . 0 0 "[ . 1 . 2]" 1
156 1 13 TRP H 1 13 TRP HE1 . . 4.580 4.328 4.301 4.369 . 0 0 "[ . 1 . 2]" 1
157 1 13 TRP H 1 13 TRP HE3 . . 4.920 4.880 4.702 4.937 0.017 12 0 "[ . 1 . 2]" 1
158 1 13 TRP H 1 14 GLY H . . 4.780 4.546 4.497 4.556 . 0 0 "[ . 1 . 2]" 1
159 1 13 TRP H 1 28 VAL MG1 . . 5.500 5.688 5.653 5.713 0.213 6 0 "[ . 1 . 2]" 1
160 1 13 TRP HA 1 13 TRP HD1 . . 4.620 4.471 4.434 4.571 . 0 0 "[ . 1 . 2]" 1
161 1 13 TRP HA 1 13 TRP HE3 . . 3.380 2.958 2.776 3.032 . 0 0 "[ . 1 . 2]" 1
162 1 13 TRP HA 1 14 GLY H . . 2.620 2.180 2.153 2.186 . 0 0 "[ . 1 . 2]" 1
163 1 13 TRP HA 1 14 GLY HA2 . . 5.500 4.342 4.337 4.365 . 0 0 "[ . 1 . 2]" 1
164 1 13 TRP HA 1 40 ARG H . . 5.320 5.029 4.947 5.089 . 0 0 "[ . 1 . 2]" 1
165 1 13 TRP HA 1 41 ILE H . . 3.890 3.195 3.027 3.507 . 0 0 "[ . 1 . 2]" 1
166 1 13 TRP HA 1 41 ILE HB . . 5.260 4.276 4.107 4.498 . 0 0 "[ . 1 . 2]" 1
167 1 13 TRP HB2 1 13 TRP HD1 . . 3.110 2.627 2.592 2.642 . 0 0 "[ . 1 . 2]" 1
168 1 13 TRP HB3 1 13 TRP HE1 . . 5.210 5.230 5.212 5.237 0.027 12 0 "[ . 1 . 2]" 1
169 1 13 TRP HB3 1 13 TRP HE3 . . 3.080 2.638 2.608 2.719 . 0 0 "[ . 1 . 2]" 1
170 1 13 TRP HB3 1 14 GLY H . . 3.520 3.195 3.160 3.376 . 0 0 "[ . 1 . 2]" 1
171 1 13 TRP HB3 1 38 CYS QB . . 5.000 1.969 1.871 2.150 . 0 0 "[ . 1 . 2]" 1
172 1 13 TRP HD1 1 28 VAL MG1 . . 4.500 3.912 3.835 4.005 . 0 0 "[ . 1 . 2]" 1
173 1 13 TRP HD1 1 40 ARG HD2 . . 5.500 5.473 5.333 5.561 0.061 5 0 "[ . 1 . 2]" 1
174 1 13 TRP HE1 1 28 VAL MG1 . . 4.370 3.998 3.891 4.078 . 0 0 "[ . 1 . 2]" 1
175 1 13 TRP HE1 1 28 VAL MG2 . . 4.020 2.762 2.623 2.875 . 0 0 "[ . 1 . 2]" 1
176 1 13 TRP HE1 1 40 ARG HD2 . . 4.990 4.649 4.494 4.763 . 0 0 "[ . 1 . 2]" 1
177 1 13 TRP HE1 1 40 ARG HD3 . . 5.430 4.439 4.393 4.508 . 0 0 "[ . 1 . 2]" 1
178 1 13 TRP HE1 1 40 ARG HH11 . . 5.500 4.718 4.145 5.551 0.051 6 0 "[ . 1 . 2]" 1
179 1 13 TRP HE3 1 14 GLY H . . 4.290 4.226 4.181 4.253 . 0 0 "[ . 1 . 2]" 1
180 1 13 TRP HE3 1 27 HIS HA . . 5.040 4.360 4.245 4.504 . 0 0 "[ . 1 . 2]" 1
181 1 13 TRP HE3 1 28 VAL H . . 4.360 3.423 3.329 3.485 . 0 0 "[ . 1 . 2]" 1
182 1 13 TRP HE3 1 28 VAL HB . . 3.480 3.389 3.263 3.496 0.016 8 0 "[ . 1 . 2]" 1
183 1 13 TRP HE3 1 28 VAL MG1 . . 4.810 4.692 4.586 4.810 . 0 0 "[ . 1 . 2]" 1
184 1 13 TRP HE3 1 28 VAL MG2 . . 4.400 4.203 4.073 4.315 . 0 0 "[ . 1 . 2]" 1
185 1 13 TRP HE3 1 38 CYS H . . 5.080 4.756 4.683 4.825 . 0 0 "[ . 1 . 2]" 1
186 1 13 TRP HE3 1 38 CYS HA . . 4.850 4.522 4.456 4.606 . 0 0 "[ . 1 . 2]" 1
187 1 13 TRP HE3 1 38 CYS QB . . 3.770 3.119 3.040 3.206 . 0 0 "[ . 1 . 2]" 1
188 1 13 TRP HE3 1 39 CYS H . . 4.290 3.446 3.408 3.503 . 0 0 "[ . 1 . 2]" 1
189 1 13 TRP HE3 1 39 CYS HA . . 3.310 2.330 2.304 2.356 . 0 0 "[ . 1 . 2]" 1
190 1 13 TRP HE3 1 39 CYS QB . . 4.680 4.103 4.079 4.125 . 0 0 "[ . 1 . 2]" 1
191 1 13 TRP HE3 1 40 ARG H . . 4.070 3.333 3.263 3.449 . 0 0 "[ . 1 . 2]" 1
192 1 13 TRP HE3 1 40 ARG HA . . 3.570 3.478 3.428 3.570 0.000 17 0 "[ . 1 . 2]" 1
193 1 13 TRP HE3 1 40 ARG HB3 . . 5.500 5.597 5.568 5.651 0.151 17 0 "[ . 1 . 2]" 1
194 1 13 TRP HE3 1 40 ARG HD2 . . 4.810 4.147 4.003 4.248 . 0 0 "[ . 1 . 2]" 1
195 1 13 TRP HE3 1 40 ARG HD3 . . 5.440 4.791 4.706 4.877 . 0 0 "[ . 1 . 2]" 1
196 1 13 TRP HE3 1 40 ARG HG2 . . 5.020 3.884 3.850 3.930 . 0 0 "[ . 1 . 2]" 1
197 1 13 TRP HE3 1 41 ILE H . . 5.170 4.687 4.548 4.863 . 0 0 "[ . 1 . 2]" 1
198 1 13 TRP HE3 1 41 ILE QG . . 4.780 4.644 4.441 4.809 0.029 4 0 "[ . 1 . 2]" 1
199 1 13 TRP HH2 1 26 VAL QG . . 4.090 3.698 3.416 4.168 0.078 8 0 "[ . 1 . 2]" 1
200 1 13 TRP HH2 1 27 HIS HA . . 4.180 2.847 2.594 3.017 . 0 0 "[ . 1 . 2]" 1
201 1 13 TRP HH2 1 28 VAL H . . 4.790 4.237 4.084 4.389 . 0 0 "[ . 1 . 2]" 1
202 1 13 TRP HH2 1 28 VAL HB . . 4.880 4.502 4.305 4.620 . 0 0 "[ . 1 . 2]" 1
203 1 13 TRP HH2 1 28 VAL MG2 . . 3.400 3.012 2.886 3.135 . 0 0 "[ . 1 . 2]" 1
204 1 13 TRP HH2 1 39 CYS HA . . 4.520 4.392 4.359 4.418 . 0 0 "[ . 1 . 2]" 1
205 1 13 TRP HH2 1 40 ARG H . . 4.490 4.087 4.019 4.161 . 0 0 "[ . 1 . 2]" 1
206 1 13 TRP HH2 1 40 ARG HA . . 5.360 5.069 5.006 5.131 . 0 0 "[ . 1 . 2]" 1
207 1 13 TRP HH2 1 40 ARG HB2 . . 5.220 5.252 5.224 5.278 0.058 1 0 "[ . 1 . 2]" 1
208 1 13 TRP HH2 1 40 ARG HB3 . . 5.500 5.513 5.462 5.563 0.063 1 0 "[ . 1 . 2]" 1
209 1 13 TRP HH2 1 40 ARG HD2 . . 4.720 3.920 3.758 4.070 . 0 0 "[ . 1 . 2]" 1
210 1 13 TRP HH2 1 40 ARG HD3 . . 4.670 2.739 2.673 2.794 . 0 0 "[ . 1 . 2]" 1
211 1 13 TRP HH2 1 40 ARG HG2 . . 4.010 2.723 2.699 2.752 . 0 0 "[ . 1 . 2]" 1
212 1 13 TRP HZ2 1 28 VAL HA . . 5.500 5.588 5.515 5.657 0.157 10 0 "[ . 1 . 2]" 1
213 1 13 TRP HZ2 1 28 VAL HB . . 4.920 4.311 4.122 4.433 . 0 0 "[ . 1 . 2]" 1
214 1 13 TRP HZ2 1 28 VAL MG2 . . 3.420 2.522 2.472 2.575 . 0 0 "[ . 1 . 2]" 1
215 1 13 TRP HZ2 1 40 ARG HD2 . . 5.280 3.922 3.749 4.072 . 0 0 "[ . 1 . 2]" 1
216 1 13 TRP HZ2 1 40 ARG HD3 . . 5.080 2.760 2.723 2.798 . 0 0 "[ . 1 . 2]" 1
217 1 13 TRP HZ2 1 40 ARG HG2 . . 4.220 4.279 4.260 4.293 0.073 19 0 "[ . 1 . 2]" 1
218 1 14 GLY H 1 14 GLY HA3 . . 2.840 2.294 2.294 2.295 . 0 0 "[ . 1 . 2]" 1
219 1 14 GLY H 1 15 PRO HD2 . . 4.470 4.395 4.362 4.417 . 0 0 "[ . 1 . 2]" 1
220 1 14 GLY H 1 15 PRO HD3 . . 5.320 5.060 5.052 5.066 . 0 0 "[ . 1 . 2]" 1
221 1 14 GLY H 1 38 CYS HA . . 4.600 4.519 4.389 4.606 0.006 4 0 "[ . 1 . 2]" 1
222 1 14 GLY H 1 38 CYS QB . . 3.440 2.685 2.551 2.772 . 0 0 "[ . 1 . 2]" 1
223 1 14 GLY H 1 39 CYS H . . 4.000 3.823 3.731 3.897 . 0 0 "[ . 1 . 2]" 1
224 1 14 GLY H 1 39 CYS HA . . 5.500 5.568 5.543 5.604 0.104 6 0 "[ . 1 . 2]" 1
225 1 14 GLY H 1 41 ILE H . . 5.230 4.060 3.897 4.292 . 0 0 "[ . 1 . 2]" 1
226 1 14 GLY H 1 41 ILE HB . . 4.800 3.983 3.877 4.194 . 0 0 "[ . 1 . 2]" 1
227 1 14 GLY H 1 41 ILE MD . . 4.560 2.414 1.850 3.297 . 0 0 "[ . 1 . 2]" 1
228 1 14 GLY H 1 41 ILE HG12 . . 4.520 3.785 2.205 4.518 . 0 0 "[ . 1 . 2]" 1
229 1 14 GLY H 1 41 ILE QG . . 3.840 2.647 2.106 3.230 . 0 0 "[ . 1 . 2]" 1
230 1 14 GLY H 1 41 ILE HG13 . . 4.520 2.796 2.386 3.320 . 0 0 "[ . 1 . 2]" 1
231 1 14 GLY H 1 42 GLY H . . 5.500 5.516 5.502 5.543 0.043 9 0 "[ . 1 . 2]" 1
232 1 14 GLY HA2 1 15 PRO HB3 . . 5.290 5.041 5.029 5.058 . 0 0 "[ . 1 . 2]" 1
233 1 14 GLY HA2 1 15 PRO HD2 . . 3.390 2.958 2.935 2.990 . 0 0 "[ . 1 . 2]" 1
234 1 14 GLY HA2 1 15 PRO HD3 . . 3.500 2.671 2.651 2.701 . 0 0 "[ . 1 . 2]" 1
235 1 14 GLY HA2 1 38 CYS QB . . 5.340 4.608 4.553 4.673 . 0 0 "[ . 1 . 2]" 1
236 1 14 GLY HA2 1 41 ILE MD . . 5.220 2.933 2.302 4.629 . 0 0 "[ . 1 . 2]" 1
237 1 14 GLY HA3 1 15 PRO HB3 . . 5.500 5.288 5.267 5.304 . 0 0 "[ . 1 . 2]" 1
238 1 14 GLY HA3 1 15 PRO HD2 . . 3.560 2.119 2.096 2.136 . 0 0 "[ . 1 . 2]" 1
239 1 14 GLY HA3 1 15 PRO HD3 . . 3.390 2.968 2.936 2.991 . 0 0 "[ . 1 . 2]" 1
240 1 14 GLY HA3 1 38 CYS HA . . 5.500 5.227 5.153 5.302 . 0 0 "[ . 1 . 2]" 1
241 1 14 GLY HA3 1 38 CYS HB2 . . 5.370 4.766 4.083 5.424 0.054 15 0 "[ . 1 . 2]" 1
242 1 14 GLY HA3 1 38 CYS QB . . 4.650 3.727 3.648 3.792 . 0 0 "[ . 1 . 2]" 1
243 1 14 GLY HA3 1 38 CYS HB3 . . 5.370 4.039 3.714 4.372 . 0 0 "[ . 1 . 2]" 1
244 1 14 GLY HA3 1 39 CYS H . . 5.140 5.105 5.040 5.168 0.028 10 0 "[ . 1 . 2]" 1
245 1 15 PRO HB2 1 16 CYS H . . 3.380 2.774 2.727 2.812 . 0 0 "[ . 1 . 2]" 1
246 1 15 PRO HB2 1 16 CYS QB . . 5.340 3.118 3.110 3.125 . 0 0 "[ . 1 . 2]" 1
247 1 15 PRO HD2 1 16 CYS H . . 3.380 2.821 2.800 2.849 . 0 0 "[ . 1 . 2]" 1
248 1 15 PRO HD2 1 38 CYS QB . . 5.340 5.004 4.868 5.154 . 0 0 "[ . 1 . 2]" 1
249 1 15 PRO HD2 1 41 ILE MD . . 4.810 3.554 3.063 4.826 0.016 5 0 "[ . 1 . 2]" 1
250 1 16 CYS H 1 16 CYS HA . . 2.920 2.810 2.798 2.826 . 0 0 "[ . 1 . 2]" 1
251 1 16 CYS H 1 16 CYS QB . . 2.800 2.926 2.895 2.949 0.149 6 0 "[ . 1 . 2]" 1
252 1 16 CYS H 1 17 LEU H . . 4.130 3.952 3.939 3.977 . 0 0 "[ . 1 . 2]" 1
253 1 16 CYS HA 1 17 LEU H . . 2.500 2.146 2.145 2.147 . 0 0 "[ . 1 . 2]" 1
254 1 16 CYS HA 1 17 LEU HB2 . . 4.690 4.657 4.644 4.670 . 0 0 "[ . 1 . 2]" 1
255 1 16 CYS HA 1 17 LEU HB3 . . 4.650 4.426 4.418 4.431 . 0 0 "[ . 1 . 2]" 1
256 1 16 CYS HA 1 32 CYS HB2 . . 5.080 4.826 4.770 4.892 . 0 0 "[ . 1 . 2]" 1
257 1 16 CYS HA 1 32 CYS QB . . 4.470 4.105 4.061 4.166 . 0 0 "[ . 1 . 2]" 1
258 1 16 CYS HA 1 32 CYS HB3 . . 5.080 4.444 4.394 4.512 . 0 0 "[ . 1 . 2]" 1
259 1 16 CYS HA 1 36 PHE HB3 . . 5.220 4.345 4.305 4.380 . 0 0 "[ . 1 . 2]" 1
260 1 16 CYS HA 1 38 CYS H . . 5.500 5.503 5.482 5.522 0.022 6 0 "[ . 1 . 2]" 1
261 1 16 CYS HA 1 38 CYS HA . . 5.080 4.487 4.450 4.526 . 0 0 "[ . 1 . 2]" 1
262 1 16 CYS HA 1 38 CYS QB . . 4.290 3.611 3.030 4.223 . 0 0 "[ . 1 . 2]" 1
263 1 16 CYS QB 1 17 LEU H . . 3.540 3.417 3.394 3.432 . 0 0 "[ . 1 . 2]" 1
264 1 16 CYS QB 1 32 CYS HA . . 4.690 4.485 4.434 4.572 . 0 0 "[ . 1 . 2]" 1
265 1 16 CYS QB 1 32 CYS QB . . 4.100 4.148 4.112 4.172 0.072 11 0 "[ . 1 . 2]" 1
266 1 16 CYS QB 1 33 SER H . . 4.220 4.355 4.317 4.406 0.186 3 0 "[ . 1 . 2]" 1
267 1 16 CYS QB 1 36 PHE HB2 . . 3.710 3.825 3.804 3.849 0.139 2 0 "[ . 1 . 2]" 1
268 1 16 CYS QB 1 36 PHE HB3 . . 3.370 3.437 3.427 3.447 0.077 15 0 "[ . 1 . 2]" 1
269 1 16 CYS QB 1 36 PHE QD . . 4.520 4.340 4.316 4.366 . 0 0 "[ . 1 . 2]" 1
270 1 16 CYS HB2 1 32 CYS HA . . 5.500 4.966 4.916 5.049 . 0 0 "[ . 1 . 2]" 1
271 1 16 CYS HB3 1 32 CYS HA . . 5.500 5.109 5.028 5.232 . 0 0 "[ . 1 . 2]" 1
272 1 17 LEU H 1 17 LEU HB2 . . 3.620 3.235 3.223 3.247 . 0 0 "[ . 1 . 2]" 1
273 1 17 LEU H 1 17 LEU HB3 . . 3.100 2.573 2.564 2.579 . 0 0 "[ . 1 . 2]" 1
274 1 17 LEU H 1 17 LEU MD1 . . 4.710 4.596 4.583 4.612 . 0 0 "[ . 1 . 2]" 1
275 1 17 LEU H 1 17 LEU MD2 . . 4.350 4.152 4.111 4.180 . 0 0 "[ . 1 . 2]" 1
276 1 17 LEU H 1 18 PRO HD3 . . 4.930 4.809 4.804 4.814 . 0 0 "[ . 1 . 2]" 1
277 1 17 LEU H 1 32 CYS QB . . 4.830 4.685 4.658 4.705 . 0 0 "[ . 1 . 2]" 1
278 1 17 LEU H 1 36 PHE HA . . 5.000 4.801 4.753 4.834 . 0 0 "[ . 1 . 2]" 1
279 1 17 LEU H 1 36 PHE HB2 . . 5.100 4.615 4.556 4.663 . 0 0 "[ . 1 . 2]" 1
280 1 17 LEU H 1 36 PHE HB3 . . 3.780 3.430 3.393 3.462 . 0 0 "[ . 1 . 2]" 1
281 1 17 LEU H 1 36 PHE QD . . 5.360 4.796 4.777 4.816 . 0 0 "[ . 1 . 2]" 1
282 1 17 LEU H 1 37 GLY HA2 . . 4.880 4.256 4.228 4.291 . 0 0 "[ . 1 . 2]" 1
283 1 17 LEU H 1 37 GLY HA3 . . 5.500 4.756 4.742 4.768 . 0 0 "[ . 1 . 2]" 1
284 1 17 LEU H 1 38 CYS HA . . 4.080 3.473 3.431 3.510 . 0 0 "[ . 1 . 2]" 1
285 1 17 LEU H 1 38 CYS QB . . 4.410 3.798 3.250 4.334 . 0 0 "[ . 1 . 2]" 1
286 1 17 LEU H 1 39 CYS H . . 5.500 5.507 5.461 5.546 0.046 11 0 "[ . 1 . 2]" 1
287 1 17 LEU HA 1 17 LEU MD1 . . 2.710 2.684 2.664 2.703 . 0 0 "[ . 1 . 2]" 1
288 1 17 LEU HA 1 17 LEU HG . . 3.260 2.867 2.863 2.871 . 0 0 "[ . 1 . 2]" 1
289 1 17 LEU HA 1 18 PRO HD2 . . 3.410 2.206 2.203 2.210 . 0 0 "[ . 1 . 2]" 1
290 1 17 LEU HA 1 18 PRO HD3 . . 3.150 2.254 2.253 2.255 . 0 0 "[ . 1 . 2]" 1
291 1 17 LEU HA 1 18 PRO QG . . 4.880 3.888 3.885 3.890 . 0 0 "[ . 1 . 2]" 1
292 1 17 LEU HA 1 36 PHE QD . . 4.100 4.108 4.068 4.120 0.020 12 0 "[ . 1 . 2]" 1
293 1 17 LEU HA 1 37 GLY H . . 5.160 5.159 5.148 5.174 0.014 12 0 "[ . 1 . 2]" 1
294 1 17 LEU HB2 1 17 LEU MD1 . . 3.020 2.151 2.096 2.167 . 0 0 "[ . 1 . 2]" 1
295 1 17 LEU HB2 1 17 LEU MD2 . . 3.010 2.765 2.740 2.805 . 0 0 "[ . 1 . 2]" 1
296 1 17 LEU HB3 1 17 LEU MD1 . . 3.620 3.078 3.071 3.082 . 0 0 "[ . 1 . 2]" 1
297 1 17 LEU HB3 1 17 LEU HG . . 2.770 2.730 2.726 2.734 . 0 0 "[ . 1 . 2]" 1
298 1 17 LEU HB3 1 18 PRO HD2 . . 4.380 3.981 3.976 3.986 . 0 0 "[ . 1 . 2]" 1
299 1 17 LEU HB3 1 22 LEU MD1 . . 4.410 3.572 3.516 3.632 . 0 0 "[ . 1 . 2]" 1
300 1 17 LEU HB3 1 37 GLY H . . 4.230 4.254 4.237 4.274 0.044 9 0 "[ . 1 . 2]" 1
301 1 17 LEU HB3 1 38 CYS HA . . 4.750 2.642 2.581 2.702 . 0 0 "[ . 1 . 2]" 1
302 1 17 LEU HB3 1 38 CYS QB . . 4.940 4.101 3.806 4.373 . 0 0 "[ . 1 . 2]" 1
303 1 17 LEU MD1 1 18 PRO HD2 . . 3.800 2.060 1.977 2.144 . 0 0 "[ . 1 . 2]" 1
304 1 17 LEU MD1 1 18 PRO HD3 . . 3.890 3.392 3.337 3.464 . 0 0 "[ . 1 . 2]" 1
305 1 17 LEU MD1 1 21 ASP QB . . 4.640 2.909 2.818 3.034 . 0 0 "[ . 1 . 2]" 1
306 1 17 LEU MD2 1 18 PRO HD2 . . 4.460 3.658 3.653 3.665 . 0 0 "[ . 1 . 2]" 1
307 1 17 LEU MD2 1 19 ILE HA . . 3.970 3.733 3.656 3.829 . 0 0 "[ . 1 . 2]" 1
308 1 17 LEU MD2 1 21 ASP H . . 4.460 4.097 4.028 4.152 . 0 0 "[ . 1 . 2]" 1
309 1 17 LEU MD2 1 22 LEU H . . 3.570 3.564 3.501 3.593 0.023 19 0 "[ . 1 . 2]" 1
310 1 17 LEU MD2 1 22 LEU HA . . 2.740 2.534 2.440 2.596 . 0 0 "[ . 1 . 2]" 1
311 1 17 LEU MD2 1 22 LEU MD1 . . 2.550 2.074 1.887 2.223 . 0 0 "[ . 1 . 2]" 1
312 1 17 LEU MD2 1 37 GLY H . . 4.600 4.355 4.300 4.396 . 0 0 "[ . 1 . 2]" 1
313 1 17 LEU MD2 1 38 CYS H . . 5.220 4.898 4.802 4.981 . 0 0 "[ . 1 . 2]" 1
314 1 17 LEU MD2 1 38 CYS HA . . 3.140 3.148 3.092 3.182 0.042 11 0 "[ . 1 . 2]" 1
315 1 17 LEU MD2 1 39 CYS H . . 3.540 3.448 3.310 3.571 0.031 14 0 "[ . 1 . 2]" 1
316 1 17 LEU HG 1 18 PRO HB2 . . 4.850 4.523 4.512 4.531 . 0 0 "[ . 1 . 2]" 1
317 1 17 LEU HG 1 18 PRO HD2 . . 3.140 1.989 1.983 2.000 . 0 0 "[ . 1 . 2]" 1
318 1 17 LEU HG 1 18 PRO HD3 . . 3.680 3.465 3.458 3.474 . 0 0 "[ . 1 . 2]" 1
319 1 17 LEU HG 1 21 ASP H . . 4.830 4.329 4.285 4.365 . 0 0 "[ . 1 . 2]" 1
320 1 17 LEU HG 1 21 ASP QB . . 3.710 3.577 3.466 3.698 . 0 0 "[ . 1 . 2]" 1
321 1 17 LEU HG 1 36 PHE QD . . 5.310 5.102 5.072 5.116 . 0 0 "[ . 1 . 2]" 1
322 1 17 LEU HG 1 37 GLY H . . 4.970 4.809 4.788 4.829 . 0 0 "[ . 1 . 2]" 1
323 1 18 PRO HA 1 19 ILE H . . 2.510 2.151 2.151 2.152 . 0 0 "[ . 1 . 2]" 1
324 1 18 PRO HA 1 19 ILE HA . . 4.710 4.392 4.389 4.394 . 0 0 "[ . 1 . 2]" 1
325 1 18 PRO HA 1 20 VAL H . . 4.080 3.562 3.552 3.571 . 0 0 "[ . 1 . 2]" 1
326 1 18 PRO HA 1 20 VAL QG . . 4.560 4.033 4.025 4.040 . 0 0 "[ . 1 . 2]" 1
327 1 18 PRO HA 1 36 PHE HA . . 3.270 2.563 2.510 2.601 . 0 0 "[ . 1 . 2]" 1
328 1 18 PRO HA 1 36 PHE HB3 . . 5.110 3.129 3.102 3.148 . 0 0 "[ . 1 . 2]" 1
329 1 18 PRO HA 1 36 PHE QD . . 3.880 1.989 1.984 1.992 . 0 0 "[ . 1 . 2]" 1
330 1 18 PRO HB2 1 19 ILE H . . 3.940 3.610 3.599 3.621 . 0 0 "[ . 1 . 2]" 1
331 1 18 PRO HB2 1 20 VAL H . . 3.830 2.590 2.581 2.600 . 0 0 "[ . 1 . 2]" 1
332 1 18 PRO HB2 1 20 VAL QG . . 3.370 1.894 1.882 1.904 . 0 0 "[ . 1 . 2]" 1
333 1 18 PRO HB2 1 21 ASP H . . 3.940 3.351 3.305 3.377 . 0 0 "[ . 1 . 2]" 1
334 1 18 PRO HB2 1 21 ASP QB . . 4.360 3.964 3.853 4.048 . 0 0 "[ . 1 . 2]" 1
335 1 18 PRO HB2 1 36 PHE HA . . 5.160 5.137 5.092 5.170 0.010 3 0 "[ . 1 . 2]" 1
336 1 18 PRO HB2 1 36 PHE QD . . 4.180 3.880 3.841 3.905 . 0 0 "[ . 1 . 2]" 1
337 1 18 PRO HB3 1 36 PHE QD . . 3.360 2.488 2.438 2.520 . 0 0 "[ . 1 . 2]" 1
338 1 18 PRO HD2 1 21 ASP H . . 5.170 5.035 4.982 5.064 . 0 0 "[ . 1 . 2]" 1
339 1 18 PRO HD2 1 21 ASP QB . . 4.720 3.948 3.850 4.033 . 0 0 "[ . 1 . 2]" 1
340 1 18 PRO HD2 1 36 PHE QD . . 4.480 4.401 4.345 4.426 . 0 0 "[ . 1 . 2]" 1
341 1 18 PRO HD3 1 21 ASP QB . . 5.210 5.173 5.059 5.221 0.011 17 0 "[ . 1 . 2]" 1
342 1 18 PRO QG 1 20 VAL HB . . 5.370 4.889 4.867 4.916 . 0 0 "[ . 1 . 2]" 1
343 1 18 PRO QG 1 20 VAL QG . . 3.200 2.578 2.561 2.603 . 0 0 "[ . 1 . 2]" 1
344 1 18 PRO QG 1 21 ASP QB . . 4.030 2.654 2.422 2.755 . 0 0 "[ . 1 . 2]" 1
345 1 18 PRO QG 1 22 LEU MD1 . . 5.500 5.139 5.102 5.173 . 0 0 "[ . 1 . 2]" 1
346 1 18 PRO QG 1 36 PHE QD . . 4.250 3.888 3.835 3.919 . 0 0 "[ . 1 . 2]" 1
347 1 19 ILE H 1 19 ILE HB . . 2.810 2.653 2.642 2.665 . 0 0 "[ . 1 . 2]" 1
348 1 19 ILE H 1 19 ILE HG13 . . 2.790 1.913 1.902 1.926 . 0 0 "[ . 1 . 2]" 1
349 1 19 ILE H 1 20 VAL H . . 3.180 2.690 2.682 2.697 . 0 0 "[ . 1 . 2]" 1
350 1 19 ILE H 1 20 VAL HB . . 5.110 4.835 4.823 4.846 . 0 0 "[ . 1 . 2]" 1
351 1 19 ILE H 1 20 VAL QG . . 4.370 4.202 4.195 4.210 . 0 0 "[ . 1 . 2]" 1
352 1 19 ILE H 1 22 LEU MD1 . . 4.720 3.838 3.776 3.943 . 0 0 "[ . 1 . 2]" 1
353 1 19 ILE H 1 27 HIS HE1 . . 5.500 5.572 5.514 5.632 0.132 19 0 "[ . 1 . 2]" 1
354 1 19 ILE H 1 36 PHE HA . . 2.880 2.383 2.353 2.420 . 0 0 "[ . 1 . 2]" 1
355 1 19 ILE H 1 36 PHE HB3 . . 4.430 4.311 4.297 4.326 . 0 0 "[ . 1 . 2]" 1
356 1 19 ILE H 1 36 PHE QD . . 5.150 3.912 3.901 3.930 . 0 0 "[ . 1 . 2]" 1
357 1 19 ILE H 1 37 GLY H . . 3.720 3.145 3.126 3.161 . 0 0 "[ . 1 . 2]" 1
358 1 19 ILE HA 1 19 ILE MD . . 3.840 3.838 3.826 3.848 0.008 20 0 "[ . 1 . 2]" 1
359 1 19 ILE HA 1 19 ILE HG12 . . 3.630 2.566 2.553 2.574 . 0 0 "[ . 1 . 2]" 1
360 1 19 ILE HA 1 19 ILE MG . . 2.960 2.286 2.262 2.337 . 0 0 "[ . 1 . 2]" 1
361 1 19 ILE HA 1 20 VAL HA . . 5.020 4.855 4.849 4.857 . 0 0 "[ . 1 . 2]" 1
362 1 19 ILE HA 1 21 ASP H . . 3.990 3.567 3.541 3.598 . 0 0 "[ . 1 . 2]" 1
363 1 19 ILE HA 1 22 LEU H . . 3.320 2.774 2.762 2.798 . 0 0 "[ . 1 . 2]" 1
364 1 19 ILE HA 1 22 LEU HB2 . . 2.880 1.920 1.908 1.945 . 0 0 "[ . 1 . 2]" 1
365 1 19 ILE HA 1 22 LEU HB3 . . 3.850 3.632 3.619 3.659 . 0 0 "[ . 1 . 2]" 1
366 1 19 ILE HA 1 22 LEU MD1 . . 2.910 2.004 1.938 2.126 . 0 0 "[ . 1 . 2]" 1
367 1 19 ILE HA 1 22 LEU HG . . 4.450 4.184 4.157 4.222 . 0 0 "[ . 1 . 2]" 1
368 1 19 ILE HA 1 27 HIS HE1 . . 5.070 4.474 4.351 4.623 . 0 0 "[ . 1 . 2]" 1
369 1 19 ILE HA 1 36 PHE HA . . 4.670 4.549 4.522 4.584 . 0 0 "[ . 1 . 2]" 1
370 1 19 ILE HA 1 37 GLY H . . 4.080 3.846 3.831 3.863 . 0 0 "[ . 1 . 2]" 1
371 1 19 ILE HB 1 19 ILE MD . . 3.000 2.381 2.349 2.411 . 0 0 "[ . 1 . 2]" 1
372 1 19 ILE HB 1 20 VAL H . . 3.150 3.107 3.094 3.122 . 0 0 "[ . 1 . 2]" 1
373 1 19 ILE HB 1 20 VAL HA . . 4.660 4.222 4.212 4.232 . 0 0 "[ . 1 . 2]" 1
374 1 19 ILE HB 1 20 VAL HB . . 5.500 4.750 4.728 4.771 . 0 0 "[ . 1 . 2]" 1
375 1 19 ILE HB 1 22 LEU MD1 . . 5.500 4.349 4.251 4.517 . 0 0 "[ . 1 . 2]" 1
376 1 19 ILE HB 1 27 HIS HE1 . . 5.500 5.562 5.514 5.595 0.095 2 0 "[ . 1 . 2]" 1
377 1 19 ILE HB 1 37 GLY H . . 5.310 4.916 4.880 4.947 . 0 0 "[ . 1 . 2]" 1
378 1 19 ILE MD 1 20 VAL H . . 5.040 4.922 4.907 4.936 . 0 0 "[ . 1 . 2]" 1
379 1 19 ILE MD 1 27 HIS HE1 . . 4.100 3.108 2.847 3.293 . 0 0 "[ . 1 . 2]" 1
380 1 19 ILE MD 1 35 GLY H . . 3.970 3.532 3.354 3.627 . 0 0 "[ . 1 . 2]" 1
381 1 19 ILE MD 1 35 GLY QA . . 4.220 2.773 2.567 2.908 . 0 0 "[ . 1 . 2]" 1
382 1 19 ILE MD 1 36 PHE H . . 4.140 3.652 3.566 3.770 . 0 0 "[ . 1 . 2]" 1
383 1 19 ILE MD 1 37 GLY H . . 4.050 3.720 3.661 3.770 . 0 0 "[ . 1 . 2]" 1
384 1 19 ILE MD 1 37 GLY HA3 . . 4.490 3.806 3.732 3.873 . 0 0 "[ . 1 . 2]" 1
385 1 19 ILE HG12 1 22 LEU H . . 5.500 5.308 5.288 5.339 . 0 0 "[ . 1 . 2]" 1
386 1 19 ILE HG12 1 22 LEU HB2 . . 5.170 3.887 3.857 3.927 . 0 0 "[ . 1 . 2]" 1
387 1 19 ILE HG12 1 22 LEU MD1 . . 4.020 2.432 2.313 2.683 . 0 0 "[ . 1 . 2]" 1
388 1 19 ILE HG12 1 27 HIS HE1 . . 5.010 2.654 2.631 2.676 . 0 0 "[ . 1 . 2]" 1
389 1 19 ILE HG12 1 37 GLY H . . 3.800 2.814 2.778 2.850 . 0 0 "[ . 1 . 2]" 1
390 1 19 ILE HG13 1 20 VAL H . . 4.350 4.241 4.225 4.254 . 0 0 "[ . 1 . 2]" 1
391 1 19 ILE HG13 1 35 GLY H . . 4.840 4.865 4.847 4.885 0.045 2 0 "[ . 1 . 2]" 1
392 1 19 ILE HG13 1 36 PHE H . . 4.290 4.040 4.001 4.089 . 0 0 "[ . 1 . 2]" 1
393 1 19 ILE HG13 1 36 PHE HA . . 5.280 2.282 2.251 2.311 . 0 0 "[ . 1 . 2]" 1
394 1 19 ILE HG13 1 36 PHE HB3 . . 5.500 4.660 4.639 4.686 . 0 0 "[ . 1 . 2]" 1
395 1 19 ILE HG13 1 37 GLY H . . 4.230 2.691 2.613 2.753 . 0 0 "[ . 1 . 2]" 1
396 1 19 ILE MG 1 20 VAL H . . 3.970 3.909 3.870 3.935 . 0 0 "[ . 1 . 2]" 1
397 1 19 ILE MG 1 20 VAL HA . . 4.180 3.958 3.835 4.027 . 0 0 "[ . 1 . 2]" 1
398 1 19 ILE MG 1 20 VAL HB . . 5.500 5.284 5.227 5.323 . 0 0 "[ . 1 . 2]" 1
399 1 19 ILE MG 1 21 ASP H . . 4.720 4.504 4.464 4.564 . 0 0 "[ . 1 . 2]" 1
400 1 19 ILE MG 1 22 LEU H . . 4.130 3.524 3.450 3.680 . 0 0 "[ . 1 . 2]" 1
401 1 19 ILE MG 1 22 LEU HB2 . . 4.150 2.147 2.041 2.374 . 0 0 "[ . 1 . 2]" 1
402 1 19 ILE MG 1 22 LEU HB3 . . 4.360 2.850 2.767 3.000 . 0 0 "[ . 1 . 2]" 1
403 1 19 ILE MG 1 22 LEU MD1 . . 3.980 2.901 2.672 3.116 . 0 0 "[ . 1 . 2]" 1
404 1 19 ILE MG 1 27 HIS HE1 . . 3.620 3.640 3.624 3.661 0.041 3 0 "[ . 1 . 2]" 1
405 1 19 ILE MG 1 35 GLY QA . . 5.240 5.006 4.943 5.083 . 0 0 "[ . 1 . 2]" 1
406 1 19 ILE MG 1 36 PHE HA . . 5.500 5.026 5.000 5.051 . 0 0 "[ . 1 . 2]" 1
407 1 19 ILE MG 1 37 GLY H . . 4.660 4.675 4.659 4.691 0.031 15 0 "[ . 1 . 2]" 1
408 1 20 VAL H 1 20 VAL HA . . 2.920 2.792 2.790 2.796 . 0 0 "[ . 1 . 2]" 1
409 1 20 VAL H 1 20 VAL HB . . 2.770 2.406 2.402 2.410 . 0 0 "[ . 1 . 2]" 1
410 1 20 VAL H 1 20 VAL QG . . 2.400 2.361 2.350 2.373 . 0 0 "[ . 1 . 2]" 1
411 1 20 VAL H 1 21 ASP H . . 3.180 2.675 2.665 2.680 . 0 0 "[ . 1 . 2]" 1
412 1 20 VAL H 1 21 ASP HA . . 5.330 5.308 5.300 5.312 . 0 0 "[ . 1 . 2]" 1
413 1 20 VAL H 1 21 ASP QB . . 5.040 4.533 4.489 4.562 . 0 0 "[ . 1 . 2]" 1
414 1 20 VAL H 1 22 LEU H . . 4.670 3.835 3.827 3.849 . 0 0 "[ . 1 . 2]" 1
415 1 20 VAL H 1 22 LEU HB2 . . 4.870 4.589 4.576 4.609 . 0 0 "[ . 1 . 2]" 1
416 1 20 VAL H 1 22 LEU MD1 . . 5.500 4.749 4.707 4.821 . 0 0 "[ . 1 . 2]" 1
417 1 20 VAL H 1 36 PHE HA . . 5.170 4.982 4.950 5.023 . 0 0 "[ . 1 . 2]" 1
418 1 20 VAL H 1 37 GLY H . . 5.500 5.663 5.650 5.677 0.177 15 0 "[ . 1 . 2]" 1
419 1 20 VAL HA 1 20 VAL HB . . 2.720 2.521 2.519 2.522 . 0 0 "[ . 1 . 2]" 1
420 1 20 VAL HA 1 20 VAL QG . . 2.970 2.182 2.112 2.261 . 0 0 "[ . 1 . 2]" 1
421 1 20 VAL HA 1 21 ASP H . . 3.560 3.449 3.442 3.455 . 0 0 "[ . 1 . 2]" 1
422 1 20 VAL HA 1 22 LEU H . . 4.300 4.110 4.101 4.117 . 0 0 "[ . 1 . 2]" 1
423 1 20 VAL HB 1 21 ASP H . . 4.300 4.019 4.010 4.032 . 0 0 "[ . 1 . 2]" 1
424 1 20 VAL HB 1 22 LEU H . . 5.500 5.521 5.513 5.532 0.032 8 0 "[ . 1 . 2]" 1
425 1 20 VAL QG 1 21 ASP H . . 2.900 2.122 2.098 2.152 . 0 0 "[ . 1 . 2]" 1
426 1 20 VAL QG 1 22 LEU H . . 4.390 3.840 3.826 3.859 . 0 0 "[ . 1 . 2]" 1
427 1 20 VAL QG 1 36 PHE QD . . 5.280 4.978 4.947 5.001 . 0 0 "[ . 1 . 2]" 1
428 1 21 ASP H 1 21 ASP HB2 . . 3.510 2.712 2.357 2.954 . 0 0 "[ . 1 . 2]" 1
429 1 21 ASP H 1 21 ASP QB . . 2.790 2.420 2.321 2.465 . 0 0 "[ . 1 . 2]" 1
430 1 21 ASP H 1 21 ASP HB3 . . 3.510 2.923 2.616 3.482 . 0 0 "[ . 1 . 2]" 1
431 1 21 ASP H 1 22 LEU H . . 2.690 2.044 2.034 2.059 . 0 0 "[ . 1 . 2]" 1
432 1 21 ASP H 1 22 LEU HA . . 4.500 4.396 4.386 4.412 . 0 0 "[ . 1 . 2]" 1
433 1 21 ASP H 1 22 LEU HB2 . . 4.030 3.829 3.816 3.843 . 0 0 "[ . 1 . 2]" 1
434 1 21 ASP H 1 22 LEU HB3 . . 5.500 5.155 5.146 5.163 . 0 0 "[ . 1 . 2]" 1
435 1 21 ASP H 1 22 LEU MD1 . . 4.760 4.136 4.102 4.172 . 0 0 "[ . 1 . 2]" 1
436 1 21 ASP QB 1 22 LEU H . . 3.540 3.358 3.343 3.372 . 0 0 "[ . 1 . 2]" 1
437 1 21 ASP QB 1 22 LEU HB2 . . 5.340 5.067 5.046 5.083 . 0 0 "[ . 1 . 2]" 1
438 1 21 ASP QB 1 22 LEU MD1 . . 5.340 4.623 4.543 4.708 . 0 0 "[ . 1 . 2]" 1
439 1 21 ASP HB2 1 22 LEU H . . 4.310 4.087 3.670 4.312 0.002 17 0 "[ . 1 . 2]" 1
440 1 21 ASP HB3 1 22 LEU H . . 4.310 3.617 3.487 3.925 . 0 0 "[ . 1 . 2]" 1
441 1 22 LEU H 1 22 LEU HB2 . . 2.660 2.069 2.066 2.071 . 0 0 "[ . 1 . 2]" 1
442 1 22 LEU H 1 22 LEU HB3 . . 3.460 3.156 3.148 3.165 . 0 0 "[ . 1 . 2]" 1
443 1 22 LEU H 1 22 LEU MD1 . . 3.670 3.043 3.010 3.073 . 0 0 "[ . 1 . 2]" 1
444 1 22 LEU H 1 23 LEU H . . 4.830 4.648 4.647 4.649 . 0 0 "[ . 1 . 2]" 1
445 1 22 LEU H 1 23 LEU HA . . 5.500 5.652 5.648 5.655 0.155 4 0 "[ . 1 . 2]" 1
446 1 22 LEU HA 1 22 LEU MD1 . . 3.680 2.437 2.323 2.510 . 0 0 "[ . 1 . 2]" 1
447 1 22 LEU HA 1 22 LEU HG . . 3.670 2.463 2.415 2.545 . 0 0 "[ . 1 . 2]" 1
448 1 22 LEU HA 1 23 LEU H . . 2.630 2.342 2.327 2.360 . 0 0 "[ . 1 . 2]" 1
449 1 22 LEU HA 1 23 LEU QB . . 5.330 3.901 3.898 3.902 . 0 0 "[ . 1 . 2]" 1
450 1 22 LEU HA 1 24 CYS H . . 4.330 3.817 3.799 3.842 . 0 0 "[ . 1 . 2]" 1
451 1 22 LEU HB2 1 22 LEU MD1 . . 2.910 2.193 2.172 2.243 . 0 0 "[ . 1 . 2]" 1
452 1 22 LEU HB2 1 37 GLY H . . 5.500 5.476 5.453 5.497 . 0 0 "[ . 1 . 2]" 1
453 1 22 LEU HB3 1 22 LEU HG . . 2.590 2.582 2.531 2.615 0.025 5 0 "[ . 1 . 2]" 1
454 1 22 LEU HB3 1 23 LEU H . . 3.820 3.159 3.124 3.184 . 0 0 "[ . 1 . 2]" 1
455 1 22 LEU HB3 1 24 CYS H . . 4.200 3.802 3.733 3.853 . 0 0 "[ . 1 . 2]" 1
456 1 22 LEU MD1 1 23 LEU H . . 4.640 3.670 3.535 3.734 . 0 0 "[ . 1 . 2]" 1
457 1 22 LEU MD1 1 27 HIS HE1 . . 4.790 2.473 2.215 2.846 . 0 0 "[ . 1 . 2]" 1
458 1 22 LEU MD1 1 37 GLY H . . 4.310 3.144 3.104 3.234 . 0 0 "[ . 1 . 2]" 1
459 1 22 LEU MD1 1 37 GLY HA3 . . 4.890 2.973 2.906 3.081 . 0 0 "[ . 1 . 2]" 1
460 1 22 LEU MD1 1 38 CYS HA . . 5.190 3.747 3.715 3.778 . 0 0 "[ . 1 . 2]" 1
461 1 22 LEU MD2 1 24 CYS H . . 4.230 3.427 3.233 3.623 . 0 0 "[ . 1 . 2]" 1
462 1 22 LEU MD2 1 27 HIS H . . 4.720 4.081 4.002 4.150 . 0 0 "[ . 1 . 2]" 1
463 1 22 LEU MD2 1 27 HIS HB2 . . 4.390 3.877 3.798 3.965 . 0 0 "[ . 1 . 2]" 1
464 1 22 LEU MD2 1 27 HIS HB3 . . 5.040 3.174 3.119 3.251 . 0 0 "[ . 1 . 2]" 1
465 1 22 LEU MD2 1 27 HIS HD1 . . 4.130 2.827 2.761 2.881 . 0 0 "[ . 1 . 2]" 1
466 1 22 LEU MD2 1 27 HIS HD2 . . 5.500 3.358 3.318 3.395 . 0 0 "[ . 1 . 2]" 1
467 1 22 LEU MD2 1 27 HIS HE1 . . 4.810 2.528 2.477 2.573 . 0 0 "[ . 1 . 2]" 1
468 1 22 LEU MD2 1 38 CYS H . . 5.500 4.877 4.818 4.927 . 0 0 "[ . 1 . 2]" 1
469 1 22 LEU HG 1 23 LEU H . . 3.870 2.325 2.278 2.372 . 0 0 "[ . 1 . 2]" 1
470 1 22 LEU HG 1 24 CYS H . . 4.120 2.639 2.579 2.689 . 0 0 "[ . 1 . 2]" 1
471 1 22 LEU HG 1 27 HIS HB3 . . 4.730 3.995 3.908 4.083 . 0 0 "[ . 1 . 2]" 1
472 1 22 LEU HG 1 27 HIS HD2 . . 5.500 5.626 5.604 5.644 0.144 5 0 "[ . 1 . 2]" 1
473 1 22 LEU HG 1 27 HIS HE1 . . 5.190 4.671 4.484 4.911 . 0 0 "[ . 1 . 2]" 1
474 1 23 LEU H 1 23 LEU QB . . 2.500 2.547 2.546 2.549 0.049 8 0 "[ . 1 . 2]" 1
475 1 23 LEU H 1 23 LEU MD2 . . 4.280 3.676 3.655 3.699 . 0 0 "[ . 1 . 2]" 1
476 1 23 LEU H 1 24 CYS H . . 2.960 1.658 1.656 1.660 . 0 0 "[ . 1 . 2]" 1
477 1 23 LEU H 1 24 CYS HA . . 4.970 4.449 4.444 4.453 . 0 0 "[ . 1 . 2]" 1
478 1 23 LEU H 1 24 CYS HB2 . . 4.590 4.486 4.439 4.557 . 0 0 "[ . 1 . 2]" 1
479 1 23 LEU H 1 24 CYS HB3 . . 4.920 5.220 5.208 5.225 0.305 18 0 "[ . 1 . 2]" 1
480 1 23 LEU HA 1 23 LEU QB . . 2.610 2.245 2.241 2.250 . 0 0 "[ . 1 . 2]" 1
481 1 23 LEU QB 1 23 LEU MD2 . . 2.540 2.005 2.003 2.007 . 0 0 "[ . 1 . 2]" 1
482 1 23 LEU QB 1 24 CYS H . . 3.880 3.167 3.160 3.177 . 0 0 "[ . 1 . 2]" 1
483 1 23 LEU QB 1 24 CYS HA . . 4.820 4.581 4.572 4.593 . 0 0 "[ . 1 . 2]" 1
484 1 23 LEU MD2 1 24 CYS H . . 4.410 3.311 3.277 3.355 . 0 0 "[ . 1 . 2]" 1
485 1 23 LEU MD2 1 24 CYS HB2 . . 4.900 4.431 4.424 4.437 . 0 0 "[ . 1 . 2]" 1
486 1 24 CYS H 1 24 CYS HB2 . . 3.510 2.990 2.947 3.055 . 0 0 "[ . 1 . 2]" 1
487 1 24 CYS H 1 24 CYS HB3 . . 3.410 3.665 3.656 3.674 0.264 5 0 "[ . 1 . 2]" 1
488 1 24 CYS H 1 25 ILE H . . 4.530 4.498 4.476 4.513 . 0 0 "[ . 1 . 2]" 1
489 1 24 CYS H 1 25 ILE HA . . 5.100 5.085 5.054 5.104 0.004 19 0 "[ . 1 . 2]" 1
490 1 24 CYS H 1 27 HIS HB3 . . 5.130 4.151 4.073 4.244 . 0 0 "[ . 1 . 2]" 1
491 1 24 CYS H 1 39 CYS QB . . 4.730 4.342 4.223 4.564 . 0 0 "[ . 1 . 2]" 1
492 1 24 CYS HA 1 25 ILE H . . 2.540 2.534 2.482 2.591 0.051 16 0 "[ . 1 . 2]" 1
493 1 24 CYS HA 1 25 ILE HB . . 5.100 4.753 4.699 4.869 . 0 0 "[ . 1 . 2]" 1
494 1 24 CYS HA 1 25 ILE HG12 . . 4.800 4.437 3.158 4.778 . 0 0 "[ . 1 . 2]" 1
495 1 24 CYS HA 1 25 ILE HG13 . . 4.800 3.551 3.244 4.927 0.127 12 0 "[ . 1 . 2]" 1
496 1 24 CYS HA 1 26 VAL H . . 4.320 4.365 4.315 4.406 0.086 12 0 "[ . 1 . 2]" 1
497 1 24 CYS HB2 1 39 CYS QB . . 5.030 4.208 4.004 4.485 . 0 0 "[ . 1 . 2]" 1
498 1 24 CYS HB3 1 25 ILE H . . 3.580 2.557 2.461 2.675 . 0 0 "[ . 1 . 2]" 1
499 1 24 CYS HB3 1 25 ILE HA . . 5.100 5.028 4.969 5.108 0.008 5 0 "[ . 1 . 2]" 1
500 1 24 CYS HB3 1 26 VAL H . . 4.170 3.584 3.507 3.689 . 0 0 "[ . 1 . 2]" 1
501 1 24 CYS HB3 1 27 HIS H . . 3.940 3.975 3.949 4.009 0.069 8 0 "[ . 1 . 2]" 1
502 1 24 CYS HB3 1 39 CYS HA . . 5.500 5.519 5.451 5.568 0.068 10 0 "[ . 1 . 2]" 1
503 1 25 ILE H 1 25 ILE HB . . 2.820 2.722 2.654 2.827 0.007 16 0 "[ . 1 . 2]" 1
504 1 25 ILE H 1 25 ILE MD . . 4.900 3.955 3.600 4.077 . 0 0 "[ . 1 . 2]" 1
505 1 25 ILE H 1 25 ILE QG . . 3.030 2.696 2.559 2.777 . 0 0 "[ . 1 . 2]" 1
506 1 25 ILE H 1 26 VAL H . . 2.930 1.912 1.866 1.963 . 0 0 "[ . 1 . 2]" 1
507 1 25 ILE H 1 26 VAL HB . . 4.710 4.401 4.356 4.441 . 0 0 "[ . 1 . 2]" 1
508 1 25 ILE H 1 26 VAL QG . . 3.780 3.364 3.310 3.440 . 0 0 "[ . 1 . 2]" 1
509 1 25 ILE HA 1 25 ILE HG12 . . 3.810 2.673 2.545 3.163 . 0 0 "[ . 1 . 2]" 1
510 1 25 ILE HA 1 25 ILE QG . . 3.320 2.538 2.424 3.019 . 0 0 "[ . 1 . 2]" 1
511 1 25 ILE HA 1 25 ILE HG13 . . 3.810 3.163 2.970 3.820 0.010 12 0 "[ . 1 . 2]" 1
512 1 25 ILE HA 1 25 ILE MG . . 3.520 2.313 2.169 2.379 . 0 0 "[ . 1 . 2]" 1
513 1 25 ILE HA 1 27 HIS HD2 . . 5.280 3.846 3.780 3.896 . 0 0 "[ . 1 . 2]" 1
514 1 25 ILE HB 1 25 ILE MD . . 3.190 2.469 2.296 3.216 0.026 12 0 "[ . 1 . 2]" 1
515 1 25 ILE HB 1 26 VAL H . . 3.140 2.711 2.663 2.746 . 0 0 "[ . 1 . 2]" 1
516 1 25 ILE HB 1 26 VAL HA . . 5.220 4.332 4.234 4.380 . 0 0 "[ . 1 . 2]" 1
517 1 25 ILE QG 1 25 ILE MG . . 3.100 2.278 2.206 2.328 . 0 0 "[ . 1 . 2]" 1
518 1 25 ILE QG 1 26 VAL H . . 4.160 3.924 3.752 3.998 . 0 0 "[ . 1 . 2]" 1
519 1 25 ILE MG 1 27 HIS HD2 . . 5.380 4.555 4.421 4.690 . 0 0 "[ . 1 . 2]" 1
520 1 26 VAL H 1 26 VAL HB . . 2.860 2.637 2.604 2.713 . 0 0 "[ . 1 . 2]" 1
521 1 26 VAL H 1 26 VAL QG . . 2.780 2.150 2.047 2.243 . 0 0 "[ . 1 . 2]" 1
522 1 26 VAL HA 1 27 HIS H . . 3.530 3.104 3.102 3.110 . 0 0 "[ . 1 . 2]" 1
523 1 26 VAL HA 1 27 HIS HA . . 5.470 4.824 4.822 4.827 . 0 0 "[ . 1 . 2]" 1
524 1 26 VAL HA 1 27 HIS HB3 . . 5.500 5.405 5.396 5.413 . 0 0 "[ . 1 . 2]" 1
525 1 26 VAL HA 1 27 HIS HD2 . . 5.020 3.936 3.913 3.973 . 0 0 "[ . 1 . 2]" 1
526 1 26 VAL HB 1 27 HIS H . . 5.030 4.253 3.842 4.427 . 0 0 "[ . 1 . 2]" 1
527 1 26 VAL QG 1 27 HIS H . . 4.020 3.296 3.056 3.723 . 0 0 "[ . 1 . 2]" 1
528 1 26 VAL QG 1 27 HIS HA . . 4.820 3.646 3.332 4.314 . 0 0 "[ . 1 . 2]" 1
529 1 26 VAL QG 1 27 HIS HB3 . . 5.460 4.583 4.265 5.222 . 0 0 "[ . 1 . 2]" 1
530 1 26 VAL QG 1 27 HIS HD2 . . 5.500 4.654 4.575 4.786 . 0 0 "[ . 1 . 2]" 1
531 1 27 HIS H 1 27 HIS HB2 . . 3.950 3.562 3.559 3.565 . 0 0 "[ . 1 . 2]" 1
532 1 27 HIS H 1 27 HIS HB3 . . 3.890 2.331 2.318 2.339 . 0 0 "[ . 1 . 2]" 1
533 1 27 HIS H 1 27 HIS HD2 . . 4.570 2.414 2.391 2.458 . 0 0 "[ . 1 . 2]" 1
534 1 27 HIS HA 1 27 HIS HD2 . . 4.190 4.117 4.099 4.139 . 0 0 "[ . 1 . 2]" 1
535 1 27 HIS HA 1 28 VAL H . . 2.880 2.690 2.681 2.696 . 0 0 "[ . 1 . 2]" 1
536 1 27 HIS HA 1 28 VAL HA . . 5.240 4.456 4.443 4.473 . 0 0 "[ . 1 . 2]" 1
537 1 27 HIS HA 1 28 VAL HB . . 4.670 4.514 4.445 4.581 . 0 0 "[ . 1 . 2]" 1
538 1 27 HIS HA 1 28 VAL MG1 . . 5.500 5.533 5.510 5.552 0.052 12 0 "[ . 1 . 2]" 1
539 1 27 HIS HA 1 28 VAL MG2 . . 4.170 3.638 3.593 3.687 . 0 0 "[ . 1 . 2]" 1
540 1 27 HIS HA 1 39 CYS HA . . 4.630 3.277 3.078 3.533 . 0 0 "[ . 1 . 2]" 1
541 1 27 HIS HA 1 40 ARG H . . 4.770 4.203 4.091 4.345 . 0 0 "[ . 1 . 2]" 1
542 1 27 HIS HA 1 40 ARG HG3 . . 5.500 5.431 5.286 5.516 0.016 2 0 "[ . 1 . 2]" 1
543 1 27 HIS HB2 1 27 HIS HE1 . . 5.200 4.737 4.732 4.740 . 0 0 "[ . 1 . 2]" 1
544 1 27 HIS HB2 1 28 VAL H . . 3.090 2.098 2.085 2.115 . 0 0 "[ . 1 . 2]" 1
545 1 27 HIS HB2 1 28 VAL HA . . 5.500 4.728 4.715 4.742 . 0 0 "[ . 1 . 2]" 1
546 1 27 HIS HB2 1 28 VAL MG2 . . 5.380 4.656 4.576 4.739 . 0 0 "[ . 1 . 2]" 1
547 1 27 HIS HB2 1 29 THR MG . . 5.080 4.766 4.715 4.802 . 0 0 "[ . 1 . 2]" 1
548 1 27 HIS HB2 1 38 CYS H . . 4.130 3.772 3.641 3.879 . 0 0 "[ . 1 . 2]" 1
549 1 27 HIS HB3 1 27 HIS HD2 . . 3.920 3.314 3.288 3.334 . 0 0 "[ . 1 . 2]" 1
550 1 27 HIS HB3 1 27 HIS HE1 . . 5.280 5.080 5.069 5.092 . 0 0 "[ . 1 . 2]" 1
551 1 27 HIS HB3 1 28 VAL H . . 3.820 3.599 3.592 3.610 . 0 0 "[ . 1 . 2]" 1
552 1 27 HIS HB3 1 28 VAL MG2 . . 5.450 5.563 5.520 5.605 0.155 20 0 "[ . 1 . 2]" 1
553 1 27 HIS HB3 1 29 THR MG . . 5.500 5.451 5.431 5.476 . 0 0 "[ . 1 . 2]" 1
554 1 27 HIS HB3 1 39 CYS HA . . 5.090 3.493 3.442 3.541 . 0 0 "[ . 1 . 2]" 1
555 1 27 HIS HD1 1 28 VAL H . . 3.730 3.405 3.359 3.453 . 0 0 "[ . 1 . 2]" 1
556 1 27 HIS HD1 1 28 VAL HA . . 5.500 5.355 5.241 5.437 . 0 0 "[ . 1 . 2]" 1
557 1 27 HIS HD1 1 38 CYS H . . 5.370 2.521 2.471 2.580 . 0 0 "[ . 1 . 2]" 1
558 1 27 HIS HD1 1 39 CYS H . . 4.870 4.585 4.462 4.727 . 0 0 "[ . 1 . 2]" 1
559 1 27 HIS HD1 1 39 CYS QB . . 4.470 4.261 3.980 4.568 0.098 8 0 "[ . 1 . 2]" 1
560 1 27 HIS HD2 1 28 VAL H . . 4.580 4.414 4.379 4.455 . 0 0 "[ . 1 . 2]" 1
561 1 27 HIS HD2 1 28 VAL HA . . 4.640 4.650 4.583 4.674 0.034 16 0 "[ . 1 . 2]" 1
562 1 27 HIS HD2 1 28 VAL MG2 . . 5.500 5.521 5.458 5.551 0.051 10 0 "[ . 1 . 2]" 1
563 1 27 HIS HE1 1 29 THR MG . . 5.220 2.093 2.023 2.153 . 0 0 "[ . 1 . 2]" 1
564 1 28 VAL H 1 28 VAL HB . . 2.930 2.526 2.505 2.561 . 0 0 "[ . 1 . 2]" 1
565 1 28 VAL H 1 28 VAL MG1 . . 3.880 3.702 3.683 3.720 . 0 0 "[ . 1 . 2]" 1
566 1 28 VAL H 1 28 VAL MG2 . . 3.220 3.110 3.030 3.188 . 0 0 "[ . 1 . 2]" 1
567 1 28 VAL H 1 29 THR H . . 4.750 4.440 4.416 4.463 . 0 0 "[ . 1 . 2]" 1
568 1 28 VAL H 1 29 THR HA . . 5.270 4.954 4.901 4.995 . 0 0 "[ . 1 . 2]" 1
569 1 28 VAL H 1 29 THR MG . . 4.690 4.290 4.239 4.325 . 0 0 "[ . 1 . 2]" 1
570 1 28 VAL H 1 30 VAL H . . 5.500 5.577 5.527 5.608 0.108 10 0 "[ . 1 . 2]" 1
571 1 28 VAL H 1 38 CYS H . . 3.660 3.284 3.143 3.407 . 0 0 "[ . 1 . 2]" 1
572 1 28 VAL H 1 39 CYS HA . . 4.600 3.257 3.136 3.387 . 0 0 "[ . 1 . 2]" 1
573 1 28 VAL HA 1 28 VAL MG1 . . 2.980 2.545 2.522 2.569 . 0 0 "[ . 1 . 2]" 1
574 1 28 VAL HA 1 28 VAL MG2 . . 2.840 2.268 2.251 2.285 . 0 0 "[ . 1 . 2]" 1
575 1 28 VAL HA 1 29 THR H . . 2.660 2.215 2.205 2.225 . 0 0 "[ . 1 . 2]" 1
576 1 28 VAL HA 1 30 VAL H . . 4.450 4.199 4.031 4.250 . 0 0 "[ . 1 . 2]" 1
577 1 28 VAL HA 1 38 CYS H . . 5.290 4.849 4.797 4.900 . 0 0 "[ . 1 . 2]" 1
578 1 28 VAL HB 1 29 THR H . . 4.240 4.138 4.095 4.172 . 0 0 "[ . 1 . 2]" 1
579 1 28 VAL HB 1 30 VAL H . . 4.510 4.284 4.240 4.316 . 0 0 "[ . 1 . 2]" 1
580 1 28 VAL HB 1 30 VAL MG2 . . 5.500 4.777 4.632 5.057 . 0 0 "[ . 1 . 2]" 1
581 1 28 VAL HB 1 38 CYS H . . 4.750 4.274 4.176 4.387 . 0 0 "[ . 1 . 2]" 1
582 1 28 VAL MG1 1 29 THR H . . 3.060 2.212 2.166 2.253 . 0 0 "[ . 1 . 2]" 1
583 1 28 VAL MG1 1 30 VAL H . . 2.770 1.848 1.817 1.871 . 0 0 "[ . 1 . 2]" 1
584 1 28 VAL MG1 1 30 VAL HB . . 3.270 2.799 2.662 2.878 . 0 0 "[ . 1 . 2]" 1
585 1 28 VAL MG1 1 30 VAL MG2 . . 3.040 2.081 1.939 2.356 . 0 0 "[ . 1 . 2]" 1
586 1 28 VAL MG1 1 31 GLY H . . 5.400 5.352 5.318 5.369 . 0 0 "[ . 1 . 2]" 1
587 1 28 VAL MG1 1 32 CYS H . . 5.140 5.141 5.080 5.183 0.043 9 0 "[ . 1 . 2]" 1
588 1 28 VAL MG1 1 32 CYS QB . . 5.330 4.914 4.843 5.016 . 0 0 "[ . 1 . 2]" 1
589 1 28 VAL MG1 1 38 CYS H . . 4.310 4.060 4.013 4.114 . 0 0 "[ . 1 . 2]" 1
590 1 28 VAL MG2 1 29 THR H . . 3.680 3.584 3.553 3.622 . 0 0 "[ . 1 . 2]" 1
591 1 28 VAL MG2 1 30 VAL H . . 4.310 4.317 4.222 4.338 0.028 7 0 "[ . 1 . 2]" 1
592 1 28 VAL MG2 1 30 VAL HB . . 5.320 4.725 4.603 4.814 . 0 0 "[ . 1 . 2]" 1
593 1 28 VAL MG2 1 38 CYS QB . . 5.340 5.125 4.763 5.435 0.095 7 0 "[ . 1 . 2]" 1
594 1 29 THR H 1 29 THR MG . . 3.380 3.394 3.343 3.415 0.035 12 0 "[ . 1 . 2]" 1
595 1 29 THR H 1 30 VAL H . . 2.760 2.679 2.513 2.775 0.015 19 0 "[ . 1 . 2]" 1
596 1 29 THR H 1 30 VAL HA . . 4.540 4.514 4.466 4.548 0.008 11 0 "[ . 1 . 2]" 1
597 1 29 THR H 1 30 VAL HB . . 4.790 4.637 4.475 4.740 . 0 0 "[ . 1 . 2]" 1
598 1 29 THR H 1 30 VAL MG1 . . 5.460 5.204 5.145 5.288 . 0 0 "[ . 1 . 2]" 1
599 1 29 THR H 1 30 VAL MG2 . . 3.490 2.780 2.627 2.893 . 0 0 "[ . 1 . 2]" 1
600 1 29 THR H 1 38 CYS H . . 5.260 4.840 4.801 4.867 . 0 0 "[ . 1 . 2]" 1
601 1 29 THR HA 1 29 THR MG . . 2.500 2.170 2.157 2.190 . 0 0 "[ . 1 . 2]" 1
602 1 29 THR HA 1 32 CYS H . . 4.450 4.559 4.539 4.585 0.135 15 0 "[ . 1 . 2]" 1
603 1 29 THR HA 1 32 CYS QB . . 3.610 3.342 3.300 3.398 . 0 0 "[ . 1 . 2]" 1
604 1 29 THR MG 1 30 VAL H . . 4.540 4.370 4.361 4.390 . 0 0 "[ . 1 . 2]" 1
605 1 29 THR MG 1 32 CYS H . . 5.500 5.533 5.515 5.562 0.062 15 0 "[ . 1 . 2]" 1
606 1 29 THR MG 1 32 CYS QB . . 5.340 3.928 3.892 3.981 . 0 0 "[ . 1 . 2]" 1
607 1 29 THR MG 1 37 GLY HA3 . . 3.950 1.910 1.870 1.960 . 0 0 "[ . 1 . 2]" 1
608 1 29 THR MG 1 38 CYS H . . 3.980 2.835 2.763 2.940 . 0 0 "[ . 1 . 2]" 1
609 1 30 VAL H 1 30 VAL HB . . 2.910 2.695 2.583 2.748 . 0 0 "[ . 1 . 2]" 1
610 1 30 VAL H 1 30 VAL MG1 . . 3.910 3.862 3.830 3.875 . 0 0 "[ . 1 . 2]" 1
611 1 30 VAL H 1 30 VAL MG2 . . 2.740 2.530 2.322 2.626 . 0 0 "[ . 1 . 2]" 1
612 1 30 VAL H 1 31 GLY H . . 4.650 4.494 4.475 4.526 . 0 0 "[ . 1 . 2]" 1
613 1 30 VAL H 1 32 CYS H . . 4.920 4.159 4.108 4.239 . 0 0 "[ . 1 . 2]" 1
614 1 30 VAL HA 1 30 VAL MG1 . . 3.150 2.251 2.154 2.362 . 0 0 "[ . 1 . 2]" 1
615 1 30 VAL HA 1 30 VAL MG2 . . 3.150 2.435 2.338 2.483 . 0 0 "[ . 1 . 2]" 1
616 1 30 VAL HA 1 31 GLY H . . 2.450 2.206 2.198 2.218 . 0 0 "[ . 1 . 2]" 1
617 1 30 VAL HA 1 32 CYS H . . 3.490 3.258 3.246 3.267 . 0 0 "[ . 1 . 2]" 1
618 1 30 VAL HB 1 31 GLY H . . 4.090 3.896 3.830 4.014 . 0 0 "[ . 1 . 2]" 1
619 1 30 VAL HB 1 32 CYS H . . 5.500 4.970 4.949 5.027 . 0 0 "[ . 1 . 2]" 1
620 1 30 VAL MG1 1 31 GLY H . . 2.950 2.232 1.999 2.433 . 0 0 "[ . 1 . 2]" 1
621 1 30 VAL MG1 1 31 GLY QA . . 4.170 3.147 3.031 3.248 . 0 0 "[ . 1 . 2]" 1
622 1 30 VAL MG1 1 32 CYS H . . 4.880 4.248 4.178 4.338 . 0 0 "[ . 1 . 2]" 1
623 1 30 VAL MG2 1 31 GLY H . . 4.230 4.071 3.941 4.129 . 0 0 "[ . 1 . 2]" 1
624 1 30 VAL MG2 1 32 CYS H . . 5.110 5.009 4.997 5.029 . 0 0 "[ . 1 . 2]" 1
625 1 31 GLY H 1 32 CYS H . . 2.830 2.642 2.628 2.661 . 0 0 "[ . 1 . 2]" 1
626 1 31 GLY H 1 32 CYS QB . . 5.250 4.625 4.607 4.655 . 0 0 "[ . 1 . 2]" 1
627 1 31 GLY QA 1 32 CYS H . . 3.100 2.912 2.908 2.914 . 0 0 "[ . 1 . 2]" 1
628 1 31 GLY QA 1 32 CYS HA . . 4.560 4.019 4.018 4.021 . 0 0 "[ . 1 . 2]" 1
629 1 31 GLY HA2 1 32 CYS H . . 3.540 3.344 3.334 3.359 . 0 0 "[ . 1 . 2]" 1
630 1 31 GLY HA3 1 32 CYS H . . 3.540 3.204 3.185 3.216 . 0 0 "[ . 1 . 2]" 1
631 1 32 CYS H 1 32 CYS HB2 . . 3.690 2.264 2.254 2.279 . 0 0 "[ . 1 . 2]" 1
632 1 32 CYS H 1 32 CYS QB . . 2.870 2.238 2.228 2.253 . 0 0 "[ . 1 . 2]" 1
633 1 32 CYS H 1 32 CYS HB3 . . 3.690 3.507 3.485 3.530 . 0 0 "[ . 1 . 2]" 1
634 1 32 CYS H 1 33 SER H . . 4.550 4.473 4.466 4.479 . 0 0 "[ . 1 . 2]" 1
635 1 32 CYS HA 1 33 SER H . . 2.820 2.604 2.595 2.614 . 0 0 "[ . 1 . 2]" 1
636 1 32 CYS QB 1 33 SER H . . 2.870 2.043 2.036 2.048 . 0 0 "[ . 1 . 2]" 1
637 1 32 CYS QB 1 33 SER HA . . 5.340 4.201 4.179 4.217 . 0 0 "[ . 1 . 2]" 1
638 1 32 CYS QB 1 33 SER QB . . 5.180 3.943 3.797 4.347 . 0 0 "[ . 1 . 2]" 1
639 1 32 CYS QB 1 36 PHE H . . 4.680 3.786 3.710 3.922 . 0 0 "[ . 1 . 2]" 1
640 1 32 CYS QB 1 36 PHE HA . . 5.340 4.783 4.703 4.898 . 0 0 "[ . 1 . 2]" 1
641 1 32 CYS QB 1 36 PHE HB2 . . 3.460 2.789 2.696 2.920 . 0 0 "[ . 1 . 2]" 1
642 1 32 CYS QB 1 36 PHE QD . . 5.340 4.375 4.297 4.470 . 0 0 "[ . 1 . 2]" 1
643 1 32 CYS HB2 1 33 SER H . . 3.490 3.560 3.548 3.570 0.080 11 0 "[ . 1 . 2]" 1
644 1 32 CYS HB3 1 33 SER H . . 3.490 2.055 2.048 2.061 . 0 0 "[ . 1 . 2]" 1
645 1 33 SER H 1 33 SER HB2 . . 3.800 2.537 2.143 3.520 . 0 0 "[ . 1 . 2]" 1
646 1 33 SER H 1 33 SER QB . . 3.100 2.356 2.119 2.914 . 0 0 "[ . 1 . 2]" 1
647 1 33 SER H 1 33 SER HB3 . . 3.800 3.190 2.244 3.602 . 0 0 "[ . 1 . 2]" 1
648 1 33 SER H 1 34 GLY H . . 5.000 4.595 4.578 4.604 . 0 0 "[ . 1 . 2]" 1
649 1 33 SER H 1 36 PHE H . . 4.600 4.232 4.163 4.343 . 0 0 "[ . 1 . 2]" 1
650 1 33 SER HA 1 34 GLY H . . 2.610 2.307 2.251 2.356 . 0 0 "[ . 1 . 2]" 1
651 1 33 SER HA 1 36 PHE QD . . 5.240 4.611 4.462 4.754 . 0 0 "[ . 1 . 2]" 1
652 1 33 SER QB 1 34 GLY H . . 3.540 2.957 2.575 3.373 . 0 0 "[ . 1 . 2]" 1
653 1 33 SER QB 1 36 PHE HB3 . . 5.340 4.725 4.418 5.297 . 0 0 "[ . 1 . 2]" 1
654 1 34 GLY H 1 34 GLY HA2 . . 2.950 2.795 2.763 2.819 . 0 0 "[ . 1 . 2]" 1
655 1 34 GLY H 1 34 GLY QA . . 2.390 2.195 2.191 2.199 . 0 0 "[ . 1 . 2]" 1
656 1 34 GLY H 1 34 GLY HA3 . . 2.950 2.295 2.294 2.297 . 0 0 "[ . 1 . 2]" 1
657 1 34 GLY QA 1 35 GLY H . . 2.590 2.186 2.128 2.224 . 0 0 "[ . 1 . 2]" 1
658 1 34 GLY QA 1 35 GLY QA . . 4.740 3.579 3.571 3.584 . 0 0 "[ . 1 . 2]" 1
659 1 34 GLY QA 1 36 PHE H . . 3.670 3.572 3.458 3.633 . 0 0 "[ . 1 . 2]" 1
660 1 35 GLY H 1 35 GLY QA . . 2.570 2.386 2.348 2.406 . 0 0 "[ . 1 . 2]" 1
661 1 35 GLY H 1 36 PHE H . . 2.920 2.000 1.893 2.196 . 0 0 "[ . 1 . 2]" 1
662 1 35 GLY H 1 36 PHE HA . . 4.870 4.578 4.524 4.680 . 0 0 "[ . 1 . 2]" 1
663 1 36 PHE H 1 36 PHE HB2 . . 3.570 2.764 2.753 2.776 . 0 0 "[ . 1 . 2]" 1
664 1 36 PHE H 1 36 PHE HB3 . . 4.000 3.840 3.836 3.843 . 0 0 "[ . 1 . 2]" 1
665 1 36 PHE H 1 36 PHE QD . . 4.580 2.580 2.567 2.589 . 0 0 "[ . 1 . 2]" 1
666 1 36 PHE H 1 37 GLY H . . 4.410 4.315 4.303 4.324 . 0 0 "[ . 1 . 2]" 1
667 1 36 PHE HA 1 37 GLY H . . 2.650 2.163 2.160 2.167 . 0 0 "[ . 1 . 2]" 1
668 1 36 PHE HB3 1 37 GLY H . . 3.480 3.240 3.215 3.270 . 0 0 "[ . 1 . 2]" 1
669 1 36 PHE QD 1 37 GLY H . . 5.160 4.409 4.390 4.440 . 0 0 "[ . 1 . 2]" 1
670 1 37 GLY H 1 38 CYS HA . . 5.060 4.893 4.885 4.896 . 0 0 "[ . 1 . 2]" 1
671 1 37 GLY HA2 1 38 CYS H . . 3.080 2.685 2.669 2.694 . 0 0 "[ . 1 . 2]" 1
672 1 37 GLY HA2 1 38 CYS HA . . 5.500 4.549 4.536 4.569 . 0 0 "[ . 1 . 2]" 1
673 1 37 GLY HA3 1 38 CYS H . . 2.990 2.447 2.438 2.460 . 0 0 "[ . 1 . 2]" 1
674 1 37 GLY HA3 1 38 CYS HA . . 5.470 4.339 4.330 4.347 . 0 0 "[ . 1 . 2]" 1
675 1 37 GLY HA3 1 38 CYS QB . . 5.340 4.913 4.881 4.954 . 0 0 "[ . 1 . 2]" 1
676 1 38 CYS H 1 38 CYS QB . . 3.660 3.077 2.851 3.287 . 0 0 "[ . 1 . 2]" 1
677 1 38 CYS H 1 39 CYS H . . 4.540 4.329 4.310 4.343 . 0 0 "[ . 1 . 2]" 1
678 1 38 CYS HA 1 39 CYS H . . 2.690 2.225 2.219 2.227 . 0 0 "[ . 1 . 2]" 1
679 1 38 CYS QB 1 39 CYS H . . 3.670 2.871 2.860 2.884 . 0 0 "[ . 1 . 2]" 1
680 1 39 CYS H 1 39 CYS QB . . 3.030 2.425 2.341 2.481 . 0 0 "[ . 1 . 2]" 1
681 1 39 CYS H 1 40 ARG H . . 5.340 4.498 4.488 4.507 . 0 0 "[ . 1 . 2]" 1
682 1 39 CYS HA 1 40 ARG H . . 2.800 2.422 2.381 2.461 . 0 0 "[ . 1 . 2]" 1
683 1 39 CYS HA 1 40 ARG HA . . 5.330 4.296 4.293 4.299 . 0 0 "[ . 1 . 2]" 1
684 1 39 CYS QB 1 40 ARG H . . 2.860 2.832 2.549 2.988 0.128 11 0 "[ . 1 . 2]" 1
685 1 39 CYS QB 1 40 ARG HB2 . . 4.940 4.457 4.129 4.684 . 0 0 "[ . 1 . 2]" 1
686 1 40 ARG H 1 40 ARG HB2 . . 2.950 2.576 2.560 2.590 . 0 0 "[ . 1 . 2]" 1
687 1 40 ARG H 1 40 ARG HB3 . . 3.740 3.589 3.586 3.591 . 0 0 "[ . 1 . 2]" 1
688 1 40 ARG H 1 40 ARG HD2 . . 4.490 3.799 3.707 3.870 . 0 0 "[ . 1 . 2]" 1
689 1 40 ARG H 1 40 ARG HD3 . . 4.770 4.254 4.202 4.303 . 0 0 "[ . 1 . 2]" 1
690 1 40 ARG H 1 40 ARG HG2 . . 3.500 2.021 1.988 2.059 . 0 0 "[ . 1 . 2]" 1
691 1 40 ARG H 1 40 ARG HH11 . . 5.500 5.151 4.408 5.573 0.073 20 0 "[ . 1 . 2]" 1
692 1 40 ARG H 1 41 ILE H . . 4.620 4.387 4.349 4.479 . 0 0 "[ . 1 . 2]" 1
693 1 40 ARG H 1 41 ILE HA . . 5.500 5.418 5.369 5.457 . 0 0 "[ . 1 . 2]" 1
694 1 40 ARG HA 1 40 ARG HD2 . . 3.860 2.242 2.186 2.339 . 0 0 "[ . 1 . 2]" 1
695 1 40 ARG HA 1 40 ARG HD3 . . 4.440 3.754 3.672 3.843 . 0 0 "[ . 1 . 2]" 1
696 1 40 ARG HA 1 40 ARG HG2 . . 4.120 2.923 2.904 2.943 . 0 0 "[ . 1 . 2]" 1
697 1 40 ARG HA 1 40 ARG HH11 . . 4.980 2.897 1.928 3.477 . 0 0 "[ . 1 . 2]" 1
698 1 40 ARG HA 1 41 ILE H . . 2.990 2.155 2.140 2.164 . 0 0 "[ . 1 . 2]" 1
699 1 40 ARG HA 1 41 ILE QG . . 4.790 3.816 3.647 3.915 . 0 0 "[ . 1 . 2]" 1
700 1 40 ARG HB2 1 40 ARG HD2 . . 4.010 3.686 3.657 3.718 . 0 0 "[ . 1 . 2]" 1
701 1 40 ARG HB2 1 40 ARG HH11 . . 5.050 4.703 3.817 5.184 0.134 17 0 "[ . 1 . 2]" 1
702 1 40 ARG HB3 1 40 ARG HD2 . . 4.070 2.687 2.622 2.771 . 0 0 "[ . 1 . 2]" 1
703 1 40 ARG HB3 1 40 ARG HD3 . . 3.860 3.637 3.616 3.649 . 0 0 "[ . 1 . 2]" 1
704 1 40 ARG HB3 1 40 ARG HH11 . . 3.710 3.265 2.346 3.769 0.059 5 0 "[ . 1 . 2]" 1
705 1 40 ARG HB3 1 41 ILE H . . 4.010 3.676 3.486 3.749 . 0 0 "[ . 1 . 2]" 1
706 1 40 ARG HB3 1 42 GLY H . . 5.300 4.640 4.471 4.779 . 0 0 "[ . 1 . 2]" 1
707 1 40 ARG HD2 1 41 ILE H . . 4.580 4.106 3.944 4.232 . 0 0 "[ . 1 . 2]" 1
708 1 40 ARG HG2 1 40 ARG HH11 . . 4.390 4.097 3.730 4.306 . 0 0 "[ . 1 . 2]" 1
709 1 40 ARG HH11 1 41 ILE H . . 5.500 4.047 2.890 4.787 . 0 0 "[ . 1 . 2]" 1
710 1 41 ILE H 1 41 ILE HB . . 3.030 2.555 2.487 2.666 . 0 0 "[ . 1 . 2]" 1
711 1 41 ILE H 1 41 ILE MD . . 4.380 3.616 3.040 3.934 . 0 0 "[ . 1 . 2]" 1
712 1 41 ILE H 1 41 ILE QG . . 3.200 2.445 2.149 2.704 . 0 0 "[ . 1 . 2]" 1
713 1 41 ILE H 1 41 ILE MG . . 3.950 3.802 3.780 3.820 . 0 0 "[ . 1 . 2]" 1
714 1 41 ILE H 1 42 GLY H . . 3.560 2.359 2.214 2.436 . 0 0 "[ . 1 . 2]" 1
715 1 41 ILE HB 1 41 ILE MD . . 3.550 2.504 2.126 3.229 . 0 0 "[ . 1 . 2]" 1
716 1 41 ILE HB 1 42 GLY H . . 3.460 2.369 2.325 2.560 . 0 0 "[ . 1 . 2]" 1
717 1 41 ILE QG 1 42 GLY H . . 4.230 3.893 3.654 4.047 . 0 0 "[ . 1 . 2]" 1
718 1 41 ILE MG 1 42 GLY H . . 3.830 3.301 3.174 3.521 . 0 0 "[ . 1 . 2]" 1
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