NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386367 |
1ljz   |
4195 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ljz
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 963
_Distance_constraint_stats_list.Viol_count 2279
_Distance_constraint_stats_list.Viol_total 3464.769
_Distance_constraint_stats_list.Viol_max 0.399
_Distance_constraint_stats_list.Viol_rms 0.0355
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0100
_Distance_constraint_stats_list.Viol_average_violations_only 0.0800
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ILE 4.311 0.238 2 0 "[ . 1 . ]"
1 2 VAL 3.709 0.228 19 0 "[ . 1 . ]"
1 3 CYS 0.610 0.182 12 0 "[ . 1 . ]"
1 4 HIS 5.273 0.151 7 0 "[ . 1 . ]"
1 5 THR 2.221 0.173 12 0 "[ . 1 . ]"
1 6 THR 11.728 0.357 9 0 "[ . 1 . ]"
1 7 ALA 2.797 0.247 2 0 "[ . 1 . ]"
1 8 THR 7.058 0.296 7 0 "[ . 1 . ]"
1 9 SER 1.045 0.146 2 0 "[ . 1 . ]"
1 10 PRO 3.400 0.289 2 0 "[ . 1 . ]"
1 11 ILE 9.350 0.289 2 0 "[ . 1 . ]"
1 12 SER 4.503 0.230 8 0 "[ . 1 . ]"
1 13 ALA 0.118 0.042 18 0 "[ . 1 . ]"
1 14 VAL 0.389 0.124 12 0 "[ . 1 . ]"
1 15 THR 1.027 0.124 12 0 "[ . 1 . ]"
1 16 CYS 0.349 0.066 18 0 "[ . 1 . ]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 19 GLY 0.369 0.106 16 0 "[ . 1 . ]"
1 20 GLU 1.990 0.194 17 0 "[ . 1 . ]"
1 21 ASN 4.282 0.263 17 0 "[ . 1 . ]"
1 22 LEU 6.242 0.348 16 0 "[ . 1 . ]"
1 23 CYS 5.261 0.311 14 0 "[ . 1 . ]"
1 24 TYR 10.216 0.278 15 0 "[ . 1 . ]"
1 25 ARG 2.761 0.210 9 0 "[ . 1 . ]"
1 26 LYS 5.090 0.221 6 0 "[ . 1 . ]"
1 27 MET 0.505 0.129 3 0 "[ . 1 . ]"
1 28 TRP 12.644 0.338 6 0 "[ . 1 . ]"
1 29 CYS 1.777 0.157 14 0 "[ . 1 . ]"
1 30 ASP 0.373 0.133 2 0 "[ . 1 . ]"
1 31 ALA 3.710 0.319 18 0 "[ . 1 . ]"
1 32 PHE 7.127 0.319 18 0 "[ . 1 . ]"
1 33 CYS 3.041 0.197 19 0 "[ . 1 . ]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 35 SER 3.406 0.197 19 0 "[ . 1 . ]"
1 36 ARG 5.819 0.175 13 0 "[ . 1 . ]"
1 37 GLY 1.037 0.098 17 0 "[ . 1 . ]"
1 38 LYS 1.356 0.202 9 0 "[ . 1 . ]"
1 39 VAL 2.340 0.221 15 0 "[ . 1 . ]"
1 40 VAL 2.143 0.282 9 0 "[ . 1 . ]"
1 41 GLU 7.284 0.278 15 0 "[ . 1 . ]"
1 42 LEU 5.716 0.226 17 0 "[ . 1 . ]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 44 CYS 0.364 0.054 1 0 "[ . 1 . ]"
1 45 ALA 2.367 0.180 2 0 "[ . 1 . ]"
1 46 ALA 4.783 0.263 17 0 "[ . 1 . ]"
1 47 THR 5.124 0.264 7 0 "[ . 1 . ]"
1 48 CYS 2.817 0.264 7 0 "[ . 1 . ]"
1 49 PRO 0.314 0.179 16 0 "[ . 1 . ]"
1 50 SER 0.643 0.179 16 0 "[ . 1 . ]"
1 51 LYS 2.862 0.261 7 0 "[ . 1 . ]"
1 52 LYS 2.473 0.261 7 0 "[ . 1 . ]"
1 54 TYR 2.810 0.207 7 0 "[ . 1 . ]"
1 55 GLU 3.100 0.201 4 0 "[ . 1 . ]"
1 56 GLU 0.425 0.085 14 0 "[ . 1 . ]"
1 57 VAL 0.376 0.058 4 0 "[ . 1 . ]"
1 58 THR 0.434 0.097 10 0 "[ . 1 . ]"
1 59 CYS 0.352 0.097 10 0 "[ . 1 . ]"
1 60 CYS 2.408 0.348 16 0 "[ . 1 . ]"
1 61 SER 0.780 0.254 19 0 "[ . 1 . ]"
1 62 THR 4.464 0.271 19 0 "[ . 1 . ]"
1 63 ASP 3.718 0.228 19 0 "[ . 1 . ]"
1 64 LYS 6.469 0.238 2 0 "[ . 1 . ]"
1 65 CYS 5.183 0.271 19 0 "[ . 1 . ]"
1 66 ASN 11.039 0.311 14 0 "[ . 1 . ]"
1 67 PRO 4.431 0.299 12 0 "[ . 1 . ]"
1 68 HIS 11.895 0.299 12 0 "[ . 1 . ]"
1 69 PRO 1.428 0.187 1 0 "[ . 1 . ]"
1 70 LYS 2.605 0.399 16 0 "[ . 1 . ]"
1 71 GLN 4.981 0.380 8 0 "[ . 1 . ]"
1 72 ARG 3.722 0.380 8 0 "[ . 1 . ]"
1 73 PRO 0.404 0.277 4 0 "[ . 1 . ]"
1 74 GLY 0.812 0.277 4 0 "[ . 1 . ]"
2 2 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 3 ARG 0.369 0.186 8 0 "[ . 1 . ]"
2 4 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 5 TRP 6.356 0.296 7 0 "[ . 1 . ]"
2 6 LYS 10.832 0.303 4 0 "[ . 1 . ]"
2 7 HIS 4.497 0.303 4 0 "[ . 1 . ]"
2 8 TRP 14.913 0.373 1 0 "[ . 1 . ]"
2 9 VAL 5.403 0.238 1 0 "[ . 1 . ]"
2 10 TYR 9.560 0.297 8 0 "[ . 1 . ]"
2 11 TYR 6.781 0.177 11 0 "[ . 1 . ]"
2 12 THR 7.418 0.268 6 0 "[ . 1 . ]"
2 13 CYS 11.835 0.399 16 0 "[ . 1 . ]"
2 14 CYS 3.658 0.268 6 0 "[ . 1 . ]"
2 15 PRO 0.220 0.098 5 0 "[ . 1 . ]"
2 16 ASP 0.172 0.047 19 0 "[ . 1 . ]"
2 17 THR 0.306 0.047 19 0 "[ . 1 . ]"
2 18 PRO 0.076 0.041 11 0 "[ . 1 . ]"
2 19 TYR 9.243 0.238 1 0 "[ . 1 . ]"
2 20 LEU 4.545 0.373 1 0 "[ . 1 . ]"
2 21 ASP 0.432 0.065 10 0 "[ . 1 . ]"
2 22 ILE 0.167 0.066 17 0 "[ . 1 . ]"
2 23 THR 0.230 0.100 12 0 "[ . 1 . ]"
2 24 GLU 0.049 0.019 5 0 "[ . 1 . ]"
2 25 GLU 0.000 0.000 . 0 "[ . 1 . ]"
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 36 ARG QB 1 37 GLY H 2.800 . 3.640 1.957 1.702 2.788 0.098 17 0 "[ . 1 . ]" 1
2 1 1 ILE HA 1 64 LYS H 4.250 . 5.525 5.688 5.596 5.763 0.238 2 0 "[ . 1 . ]" 1
3 1 1 ILE HB 1 64 LYS H 3.890 . 5.057 4.909 4.423 5.135 0.078 7 0 "[ . 1 . ]" 1
4 1 1 ILE QG 1 64 LYS H 4.060 . 5.278 4.222 3.065 5.319 0.041 1 0 "[ . 1 . ]" 1
5 1 11 ILE HA 2 10 TYR QE 4.340 . 5.642 2.589 1.857 3.442 . 0 0 "[ . 1 . ]" 1
6 1 11 ILE H 1 11 ILE HB 2.580 . 3.354 2.644 2.233 3.086 . 0 0 "[ . 1 . ]" 1
7 1 11 ILE HB 1 12 SER H 3.840 . 4.992 4.103 3.756 4.550 . 0 0 "[ . 1 . ]" 1
8 1 11 ILE H 1 11 ILE QG 3.050 . 3.965 2.313 1.784 3.086 0.016 2 0 "[ . 1 . ]" 1
9 1 11 ILE QG 1 12 SER H 2.750 . 3.575 2.561 2.094 2.970 . 0 0 "[ . 1 . ]" 1
10 1 11 ILE QG 2 10 TYR QE 3.450 . 4.225 2.005 1.821 2.564 . 0 0 "[ . 1 . ]" 1
11 1 11 ILE QG 1 68 HIS H 3.470 . 4.511 4.472 4.049 4.612 0.101 7 0 "[ . 1 . ]" 1
12 1 10 PRO HA 1 11 ILE H 2.640 . 3.432 2.712 2.523 2.917 . 0 0 "[ . 1 . ]" 1
13 1 10 PRO QB 1 11 ILE H 2.880 . 3.744 2.120 1.889 2.419 . 0 0 "[ . 1 . ]" 1
14 1 10 PRO QD 1 11 ILE H 3.180 . 4.134 4.264 4.190 4.423 0.289 2 0 "[ . 1 . ]" 1
15 1 10 PRO QG 1 11 ILE H 2.780 . 3.614 3.639 3.169 3.747 0.133 2 0 "[ . 1 . ]" 1
16 1 11 ILE H 2 8 TRP HD1 4.600 . 5.980 5.986 5.833 6.097 0.117 15 0 "[ . 1 . ]" 1
17 1 11 ILE H 2 8 TRP HH2 4.250 . 5.525 5.603 5.555 5.658 0.133 6 0 "[ . 1 . ]" 1
18 1 12 SER HA 1 13 ALA H 2.510 . 3.263 2.308 2.112 2.729 . 0 0 "[ . 1 . ]" 1
19 1 12 SER H 1 12 SER QB 2.550 . 3.315 2.817 2.445 2.994 . 0 0 "[ . 1 . ]" 1
20 1 11 ILE HA 1 12 SER H 4.240 . 5.512 2.244 2.190 2.301 . 0 0 "[ . 1 . ]" 1
21 1 11 ILE H 1 12 SER H 3.820 . 4.966 4.595 4.457 4.660 . 0 0 "[ . 1 . ]" 1
22 1 12 SER H 1 13 ALA H 4.090 . 5.317 4.514 4.304 4.566 . 0 0 "[ . 1 . ]" 1
23 1 12 SER H 2 6 LYS QD 4.250 . 5.525 5.389 4.677 5.677 0.152 17 0 "[ . 1 . ]" 1
24 1 12 SER H 2 6 LYS QG 4.040 . 5.252 5.275 4.672 5.482 0.230 8 0 "[ . 1 . ]" 1
25 1 4 HIS HA 1 12 SER H 3.950 . 5.135 5.219 5.139 5.286 0.151 7 0 "[ . 1 . ]" 1
26 1 6 THR HA 1 12 SER H 4.160 . 5.408 2.875 2.180 3.567 . 0 0 "[ . 1 . ]" 1
27 1 13 ALA HA 1 14 VAL H 2.480 . 3.224 2.159 2.142 2.191 . 0 0 "[ . 1 . ]" 1
28 1 13 ALA H 1 13 ALA MB 2.460 . 3.198 2.575 2.198 2.789 . 0 0 "[ . 1 . ]" 1
29 1 12 SER QB 1 13 ALA H 2.700 . 3.510 2.766 2.127 3.532 0.022 1 0 "[ . 1 . ]" 1
30 1 5 THR MG 1 13 ALA H 4.000 . 5.200 3.643 3.022 4.547 . 0 0 "[ . 1 . ]" 1
31 1 14 VAL H 1 14 VAL HA 3.000 . 3.900 2.938 2.926 2.949 . 0 0 "[ . 1 . ]" 1
32 1 14 VAL HA 1 15 THR H 2.200 . 2.860 2.321 2.178 2.777 . 0 0 "[ . 1 . ]" 1
33 1 14 VAL H 1 14 VAL HB 3.520 . 4.576 3.805 3.484 3.872 . 0 0 "[ . 1 . ]" 1
34 1 14 VAL HB 1 15 THR H 2.610 . 3.393 2.661 1.887 3.517 0.124 12 0 "[ . 1 . ]" 1
35 1 14 VAL QG 1 15 THR H 3.700 . 4.810 3.176 1.903 3.449 . 0 0 "[ . 1 . ]" 1
36 1 13 ALA MB 1 14 VAL H 2.660 . 3.458 3.288 2.997 3.500 0.042 18 0 "[ . 1 . ]" 1
37 1 13 ALA H 1 14 VAL H 4.140 . 5.382 4.096 3.631 4.473 . 0 0 "[ . 1 . ]" 1
38 1 14 VAL H 1 14 VAL QG 3.050 . 3.965 2.122 1.922 2.293 . 0 0 "[ . 1 . ]" 1
39 1 3 CYS QB 1 14 VAL H 4.440 . 5.772 3.391 3.009 3.817 . 0 0 "[ . 1 . ]" 1
40 1 4 HIS HA 1 14 VAL H 3.280 . 4.264 3.838 3.525 4.145 . 0 0 "[ . 1 . ]" 1
41 1 4 HIS QB 1 14 VAL H 4.490 . 5.837 5.678 5.433 5.881 0.044 18 0 "[ . 1 . ]" 1
42 1 15 THR HA 1 16 CYS H 2.200 . 2.860 2.223 2.145 2.347 . 0 0 "[ . 1 . ]" 1
43 1 3 CYS H 1 15 THR HA 3.270 . 4.251 3.227 2.953 3.598 . 0 0 "[ . 1 . ]" 1
44 1 15 THR H 1 15 THR HB 2.470 . 3.211 2.747 2.241 3.334 0.123 19 0 "[ . 1 . ]" 1
45 1 15 THR HB 1 16 CYS H 3.410 . 4.433 3.904 2.905 4.254 . 0 0 "[ . 1 . ]" 1
46 1 15 THR H 1 15 THR MG 2.920 . 3.796 3.168 2.107 3.797 0.001 17 0 "[ . 1 . ]" 1
47 1 15 THR MG 1 16 CYS H 2.620 . 3.406 2.985 2.021 3.472 0.066 18 0 "[ . 1 . ]" 1
48 1 3 CYS H 1 15 THR MG 4.230 . 5.499 4.841 3.751 5.571 0.072 4 0 "[ . 1 . ]" 1
49 1 14 VAL H 1 15 THR H 4.010 . 5.213 4.425 4.362 4.492 . 0 0 "[ . 1 . ]" 1
50 1 15 THR H 1 16 CYS H 3.550 . 4.615 4.529 4.351 4.609 . 0 0 "[ . 1 . ]" 1
51 1 16 CYS H 1 16 CYS HA 2.800 . 3.640 2.910 2.871 2.922 . 0 0 "[ . 1 . ]" 1
52 1 16 CYS H 1 16 CYS QB 2.730 . 3.549 2.465 2.194 2.697 . 0 0 "[ . 1 . ]" 1
53 1 16 CYS H 1 17 PRO QD 3.830 . 4.979 4.065 3.452 4.420 . 0 0 "[ . 1 . ]" 1
54 2 2 GLU H 2 2 GLU HA 2.820 . 3.666 2.900 2.834 2.946 . 0 0 "[ . 1 . ]" 1
55 2 2 GLU H 2 2 GLU QB 3.120 . 4.056 2.551 2.100 2.915 . 0 0 "[ . 1 . ]" 1
56 2 2 GLU QB 2 3 ARG H 3.720 . 4.836 3.152 1.964 4.034 . 0 0 "[ . 1 . ]" 1
57 2 3 ARG H 2 3 ARG QB 3.540 . 4.602 2.687 2.038 3.452 . 0 0 "[ . 1 . ]" 1
58 2 3 ARG QB 2 4 GLY H 3.410 . 4.433 3.117 1.967 4.011 . 0 0 "[ . 1 . ]" 1
59 2 3 ARG H 2 3 ARG QD 3.190 . 4.147 3.232 1.927 4.220 0.073 8 0 "[ . 1 . ]" 1
60 2 3 ARG H 2 3 ARG HE 3.980 . 5.174 4.265 2.055 5.212 0.038 8 0 "[ . 1 . ]" 1
61 2 3 ARG H 2 3 ARG QG 2.870 . 3.731 3.081 2.065 3.917 0.186 8 0 "[ . 1 . ]" 1
62 2 3 ARG HA 2 4 GLY H 2.780 . 3.614 2.554 2.143 3.575 . 0 0 "[ . 1 . ]" 1
63 2 3 ARG QG 2 4 GLY H 3.580 . 4.654 4.012 2.853 4.644 . 0 0 "[ . 1 . ]" 1
64 2 5 TRP HA 2 6 LYS H 2.550 . 3.315 3.058 2.477 3.534 0.219 15 0 "[ . 1 . ]" 1
65 2 5 TRP QB 2 5 TRP HD1 3.040 . 3.952 2.514 2.440 2.692 . 0 0 "[ . 1 . ]" 1
66 2 5 TRP H 2 5 TRP QB 3.090 . 4.017 2.927 2.711 3.069 . 0 0 "[ . 1 . ]" 1
67 2 5 TRP HE1 2 7 HIS QB 4.530 . 5.889 5.517 5.036 5.964 0.075 15 0 "[ . 1 . ]" 1
68 2 5 TRP HA 2 5 TRP HE3 3.600 . 4.680 3.891 3.530 4.739 0.059 13 0 "[ . 1 . ]" 1
69 1 8 THR HA 2 5 TRP HE3 4.150 . 5.395 4.664 3.812 5.569 0.174 15 0 "[ . 1 . ]" 1
70 1 8 THR HB 2 5 TRP HE3 4.350 . 5.655 5.713 3.701 5.951 0.296 7 0 "[ . 1 . ]" 1
71 2 4 GLY H 2 5 TRP H 3.530 . 4.589 3.632 1.955 4.517 . 0 0 "[ . 1 . ]" 1
72 2 5 TRP H 2 5 TRP HD1 3.430 . 4.459 3.872 2.585 4.390 . 0 0 "[ . 1 . ]" 1
73 2 5 TRP H 2 5 TRP HZ2 4.080 . 5.304 5.301 5.159 5.497 0.193 15 0 "[ . 1 . ]" 1
74 2 6 LYS H 2 6 LYS QB 3.220 . 4.186 2.611 2.246 2.881 . 0 0 "[ . 1 . ]" 1
75 2 6 LYS QD 2 7 HIS H 3.940 . 5.122 5.322 5.158 5.425 0.303 4 0 "[ . 1 . ]" 1
76 2 6 LYS H 2 6 LYS QG 3.520 . 4.576 3.744 3.026 4.198 . 0 0 "[ . 1 . ]" 1
77 2 5 TRP QB 2 6 LYS H 3.320 . 4.316 1.877 1.728 2.742 0.072 1 0 "[ . 1 . ]" 1
78 2 5 TRP HD1 2 6 LYS H 3.920 . 5.096 4.714 4.021 5.245 0.149 2 0 "[ . 1 . ]" 1
79 2 6 LYS H 2 7 HIS H 4.120 . 5.356 4.025 3.576 4.355 . 0 0 "[ . 1 . ]" 1
80 2 7 HIS HA 2 7 HIS HD1 3.420 . 4.446 2.593 1.898 3.285 . 0 0 "[ . 1 . ]" 1
81 2 7 HIS HA 2 8 TRP H 2.610 . 3.393 2.192 2.157 2.273 . 0 0 "[ . 1 . ]" 1
82 2 7 HIS H 2 7 HIS QB 3.460 . 4.498 2.686 2.608 2.748 . 0 0 "[ . 1 . ]" 1
83 2 7 HIS QB 2 8 TRP H 3.410 . 4.433 3.778 3.580 4.024 . 0 0 "[ . 1 . ]" 1
84 2 7 HIS H 2 7 HIS HD1 3.900 . 5.070 4.586 4.507 4.716 . 0 0 "[ . 1 . ]" 1
85 2 7 HIS HD1 2 9 VAL QG 3.520 . 4.576 3.373 2.707 4.265 . 0 0 "[ . 1 . ]" 1
86 2 6 LYS HA 2 7 HIS H 2.620 . 3.406 2.194 2.119 2.400 . 0 0 "[ . 1 . ]" 1
87 2 8 TRP HA 2 8 TRP HE3 2.900 . 3.770 3.271 3.102 3.402 . 0 0 "[ . 1 . ]" 1
88 2 8 TRP HA 2 8 TRP HZ3 4.000 . 5.200 5.268 5.091 5.380 0.180 2 0 "[ . 1 . ]" 1
89 2 8 TRP HA 2 9 VAL H 2.710 . 3.523 2.389 2.221 2.570 . 0 0 "[ . 1 . ]" 1
90 2 8 TRP H 2 8 TRP QB 3.230 . 4.199 2.464 2.303 2.577 . 0 0 "[ . 1 . ]" 1
91 2 8 TRP QB 2 8 TRP HZ3 4.460 . 5.798 4.933 4.877 5.017 . 0 0 "[ . 1 . ]" 1
92 2 8 TRP QB 2 9 VAL H 3.460 . 4.498 2.381 1.974 3.009 . 0 0 "[ . 1 . ]" 1
93 2 8 TRP QB 2 10 TYR QD 4.300 . 5.317 3.412 2.596 3.834 . 0 0 "[ . 1 . ]" 1
94 2 8 TRP QB 2 10 TYR QE 3.690 . 4.797 3.857 1.918 4.366 . 0 0 "[ . 1 . ]" 1
95 2 6 LYS QB 2 8 TRP HD1 3.890 . 5.057 4.959 3.770 5.328 0.271 13 0 "[ . 1 . ]" 1
96 2 6 LYS QD 2 8 TRP HD1 4.550 . 5.915 5.358 4.914 5.918 0.003 3 0 "[ . 1 . ]" 1
97 2 6 LYS QG 2 8 TRP HD1 4.080 . 5.304 3.945 3.304 4.655 . 0 0 "[ . 1 . ]" 1
98 2 8 TRP HA 2 8 TRP HD1 3.420 . 4.446 3.915 3.820 4.017 . 0 0 "[ . 1 . ]" 1
99 2 8 TRP QB 2 8 TRP HD1 2.890 . 3.757 2.511 2.451 2.539 . 0 0 "[ . 1 . ]" 1
100 2 8 TRP HD1 2 20 LEU HG 3.960 . 5.148 4.629 3.691 5.307 0.159 15 0 "[ . 1 . ]" 1
101 1 8 THR HA 2 8 TRP HD1 4.390 . 5.707 3.792 3.392 3.951 . 0 0 "[ . 1 . ]" 1
102 2 6 LYS QG 2 8 TRP HE1 4.210 . 5.473 5.411 5.016 5.629 0.156 3 0 "[ . 1 . ]" 1
103 2 8 TRP HE1 2 10 TYR QE 4.040 . 5.252 4.263 3.688 4.667 . 0 0 "[ . 1 . ]" 1
104 2 8 TRP HE1 2 20 LEU QB 3.690 . 4.797 4.774 3.710 4.979 0.182 2 0 "[ . 1 . ]" 1
105 2 8 TRP HE1 2 20 LEU HG 3.850 . 5.005 3.441 2.566 4.267 . 0 0 "[ . 1 . ]" 1
106 1 7 ALA HA 2 8 TRP HE1 4.620 . 6.006 5.252 4.785 5.612 . 0 0 "[ . 1 . ]" 1
107 1 8 THR HA 2 8 TRP HE1 3.530 . 4.589 4.626 4.070 4.723 0.134 5 0 "[ . 1 . ]" 1
108 1 8 THR MG 2 8 TRP HE1 4.230 . 5.499 3.788 3.023 5.223 . 0 0 "[ . 1 . ]" 1
109 1 8 THR H 2 8 TRP HE1 4.460 . 5.798 3.915 3.572 4.731 . 0 0 "[ . 1 . ]" 1
110 1 9 SER HA 2 8 TRP HE1 4.170 . 5.421 3.615 3.322 3.878 . 0 0 "[ . 1 . ]" 1
111 1 9 SER QB 2 8 TRP HE1 3.890 . 5.057 4.375 4.267 4.492 . 0 0 "[ . 1 . ]" 1
112 1 9 SER H 2 8 TRP HE1 3.750 . 4.875 3.940 3.443 4.048 . 0 0 "[ . 1 . ]" 1
113 2 8 TRP HE3 2 9 VAL H 3.640 . 4.732 1.687 1.604 1.764 0.196 14 0 "[ . 1 . ]" 1
114 2 7 HIS HD1 2 8 TRP H 4.270 . 5.551 2.514 1.948 3.529 . 0 0 "[ . 1 . ]" 1
115 2 7 HIS H 2 8 TRP H 3.540 . 4.602 4.175 3.760 4.356 . 0 0 "[ . 1 . ]" 1
116 2 8 TRP H 2 8 TRP HD1 3.470 . 4.511 4.378 4.163 4.559 0.048 17 0 "[ . 1 . ]" 1
117 2 8 TRP H 2 9 VAL H 4.410 . 5.733 4.386 4.319 4.507 . 0 0 "[ . 1 . ]" 1
118 2 8 TRP HZ2 2 20 LEU HG 3.950 . 5.135 2.977 2.495 3.212 . 0 0 "[ . 1 . ]" 1
119 1 9 SER QB 2 8 TRP HZ2 3.730 . 4.849 4.721 4.628 4.995 0.146 2 0 "[ . 1 . ]" 1
120 2 8 TRP HZ3 2 9 VAL H 4.560 . 5.928 3.907 3.674 4.038 . 0 0 "[ . 1 . ]" 1
121 2 8 TRP HZ3 2 20 LEU QB 3.280 . 4.264 4.164 3.039 4.637 0.373 1 0 "[ . 1 . ]" 1
122 2 8 TRP HZ3 2 20 LEU HG 3.760 . 4.888 4.221 2.899 4.980 0.092 18 0 "[ . 1 . ]" 1
123 2 8 TRP HZ3 2 20 LEU H 3.800 . 4.940 4.228 3.864 4.903 . 0 0 "[ . 1 . ]" 1
124 2 9 VAL H 2 9 VAL HB 3.270 . 4.251 3.205 3.022 3.358 . 0 0 "[ . 1 . ]" 1
125 2 9 VAL HB 2 10 TYR H 4.030 . 5.239 4.332 4.281 4.514 . 0 0 "[ . 1 . ]" 1
126 2 9 VAL HB 2 19 TYR QE 4.040 . 5.252 5.322 5.120 5.490 0.238 1 0 "[ . 1 . ]" 1
127 2 9 VAL H 2 9 VAL QG 3.220 . 4.186 2.686 2.412 3.090 . 0 0 "[ . 1 . ]" 1
128 2 9 VAL QG 2 10 TYR H 3.680 . 4.381 3.360 3.230 3.493 . 0 0 "[ . 1 . ]" 1
129 2 9 VAL QG 2 11 TYR H 3.730 . 4.849 4.770 4.334 4.945 0.096 5 0 "[ . 1 . ]" 1
130 2 9 VAL H 2 20 LEU HA 3.890 . 5.057 3.150 2.350 3.589 . 0 0 "[ . 1 . ]" 1
131 2 9 VAL H 2 20 LEU HG 4.520 . 5.876 5.043 4.027 5.623 . 0 0 "[ . 1 . ]" 1
132 2 9 VAL H 2 21 ASP H 4.540 . 5.902 4.499 3.916 5.187 . 0 0 "[ . 1 . ]" 1
133 2 10 TYR HA 2 11 TYR H 2.950 . 3.835 2.146 2.111 2.219 . 0 0 "[ . 1 . ]" 1
134 2 10 TYR QB 2 10 TYR QD 2.800 . 3.640 2.153 2.107 2.192 . 0 0 "[ . 1 . ]" 1
135 2 10 TYR QB 2 10 TYR QE 3.350 . 4.355 3.933 3.885 3.953 . 0 0 "[ . 1 . ]" 1
136 2 10 TYR H 2 10 TYR QB 3.330 . 4.329 2.248 2.150 2.480 . 0 0 "[ . 1 . ]" 1
137 2 10 TYR QB 2 11 TYR H 3.680 . 4.784 3.295 2.903 3.509 . 0 0 "[ . 1 . ]" 1
138 1 11 ILE HB 2 10 TYR QD 4.570 . 5.941 6.053 5.956 6.148 0.207 1 0 "[ . 1 . ]" 1
139 1 11 ILE MD 2 10 TYR QD 4.180 . 5.434 4.235 2.394 5.451 0.017 13 0 "[ . 1 . ]" 1
140 2 8 TRP HD1 2 10 TYR QD 4.420 . 5.746 5.573 5.055 5.791 0.045 4 0 "[ . 1 . ]" 1
141 2 10 TYR HA 2 10 TYR QD 3.340 . 4.342 2.259 1.887 3.172 . 0 0 "[ . 1 . ]" 1
142 2 10 TYR H 2 10 TYR QD 3.290 . 4.277 3.501 2.117 3.780 . 0 0 "[ . 1 . ]" 1
143 1 40 VAL HB 2 10 TYR QD 3.680 . 4.784 4.072 3.810 4.501 . 0 0 "[ . 1 . ]" 1
144 1 40 VAL QG 2 10 TYR QD 4.240 . 5.512 3.887 3.378 4.539 . 0 0 "[ . 1 . ]" 1
145 1 42 LEU QD 2 10 TYR QD 3.920 . 5.096 3.827 3.144 4.337 . 0 0 "[ . 1 . ]" 1
146 1 6 THR HB 2 10 TYR QD 2.680 . 3.484 2.026 1.776 3.011 0.024 3 0 "[ . 1 . ]" 1
147 1 6 THR MG 2 10 TYR QD 2.870 . 3.731 1.913 1.739 3.102 0.061 7 0 "[ . 1 . ]" 1
148 1 68 HIS HD1 2 10 TYR QD 3.590 . 4.121 3.750 3.334 4.126 0.005 18 0 "[ . 1 . ]" 1
149 1 10 PRO HA 2 10 TYR QE 3.860 . 5.018 4.378 4.028 4.744 . 0 0 "[ . 1 . ]" 1
150 1 11 ILE HB 2 10 TYR QE 3.860 . 5.018 4.289 4.096 4.680 . 0 0 "[ . 1 . ]" 1
151 1 40 VAL QG 2 10 TYR QE 4.540 . 5.902 5.330 4.827 5.967 0.065 8 0 "[ . 1 . ]" 1
152 1 42 LEU QD 2 10 TYR QE 3.600 . 4.680 4.345 3.630 4.731 0.051 4 0 "[ . 1 . ]" 1
153 1 42 LEU HG 2 10 TYR QE 4.040 . 5.252 5.334 5.137 5.428 0.176 1 0 "[ . 1 . ]" 1
154 1 6 THR HB 2 10 TYR QE 3.300 . 4.290 3.036 1.956 3.572 . 0 0 "[ . 1 . ]" 1
155 1 11 ILE H 2 10 TYR HE2 3.710 . 4.823 3.812 3.241 4.375 . 0 0 "[ . 1 . ]" 1
156 2 10 TYR H 2 10 TYR HE2 4.600 . 5.980 5.939 5.562 6.277 0.297 8 0 "[ . 1 . ]" 1
157 2 9 VAL HA 2 10 TYR H 2.710 . 3.523 2.289 2.223 2.361 . 0 0 "[ . 1 . ]" 1
158 2 9 VAL H 2 10 TYR H 4.440 . 5.772 3.461 3.252 3.702 . 0 0 "[ . 1 . ]" 1
159 1 39 VAL QG 2 10 TYR H 3.900 . 5.070 4.232 3.872 4.659 . 0 0 "[ . 1 . ]" 1
160 1 40 VAL HB 2 10 TYR H 4.550 . 5.915 3.721 3.240 4.204 . 0 0 "[ . 1 . ]" 1
161 1 6 THR HB 2 10 TYR H 4.560 . 5.928 4.000 3.428 5.025 . 0 0 "[ . 1 . ]" 1
162 1 6 THR MG 2 10 TYR H 4.290 . 5.577 3.997 3.142 4.489 . 0 0 "[ . 1 . ]" 1
163 1 19 GLY H 1 19 GLY QA 2.160 . 2.808 2.280 2.205 2.498 . 0 0 "[ . 1 . ]" 1
164 1 19 GLY QA 1 20 GLU H 3.490 . 4.121 2.667 2.224 2.933 . 0 0 "[ . 1 . ]" 1
165 1 19 GLY QA 1 21 ASN QD 3.790 . 4.927 3.439 1.948 5.033 0.106 16 0 "[ . 1 . ]" 1
166 1 19 GLY H 1 20 GLU H 2.770 . 3.601 2.635 1.759 3.165 0.041 9 0 "[ . 1 . ]" 1
167 1 19 GLY H 1 21 ASN QD 3.950 . 5.135 4.835 3.729 5.218 0.083 15 0 "[ . 1 . ]" 1
168 1 36 ARG QB 2 11 TYR QD 3.100 . 4.030 3.053 2.129 4.159 0.129 19 0 "[ . 1 . ]" 1
169 1 36 ARG QD 2 11 TYR QD 2.800 . 3.640 3.428 1.925 3.768 0.128 17 0 "[ . 1 . ]" 1
170 1 36 ARG QG 2 11 TYR QD 3.400 . 4.420 3.759 2.098 4.483 0.063 17 0 "[ . 1 . ]" 1
171 1 36 ARG QG 2 11 TYR QE 2.800 . 3.640 3.597 2.490 3.783 0.143 17 0 "[ . 1 . ]" 1
172 2 11 TYR HA 2 12 THR H 2.680 . 3.484 2.226 2.193 2.263 . 0 0 "[ . 1 . ]" 1
173 2 11 TYR QB 2 11 TYR QE 4.200 . 5.460 3.964 3.924 3.986 . 0 0 "[ . 1 . ]" 1
174 2 11 TYR H 2 11 TYR QB 3.110 . 4.043 2.498 2.377 2.710 . 0 0 "[ . 1 . ]" 1
175 2 11 TYR QB 2 12 THR H 3.210 . 4.173 3.012 2.776 3.487 . 0 0 "[ . 1 . ]" 1
176 2 9 VAL HB 2 11 TYR QD 4.500 . 5.850 4.338 3.454 5.083 . 0 0 "[ . 1 . ]" 1
177 2 9 VAL QG 2 11 TYR QD 4.520 . 5.876 3.184 2.569 3.616 . 0 0 "[ . 1 . ]" 1
178 2 10 TYR HA 2 11 TYR QD 3.100 . 4.030 3.423 2.696 4.206 0.176 19 0 "[ . 1 . ]" 1
179 2 10 TYR QB 2 11 TYR QD 4.250 . 5.525 4.393 4.181 5.115 . 0 0 "[ . 1 . ]" 1
180 2 11 TYR QB 2 11 TYR QD 2.850 . 3.705 2.250 2.128 2.338 . 0 0 "[ . 1 . ]" 1
181 2 11 TYR H 2 11 TYR QD 3.400 . 4.420 2.699 1.984 3.500 . 0 0 "[ . 1 . ]" 1
182 2 11 TYR QD 2 12 THR H 4.340 . 5.642 4.334 4.037 4.783 . 0 0 "[ . 1 . ]" 1
183 2 11 TYR QD 2 19 TYR QB 3.880 . 5.044 4.261 3.513 4.786 . 0 0 "[ . 1 . ]" 1
184 2 11 TYR QD 2 19 TYR QE 3.070 . 3.991 2.831 2.133 3.553 . 0 0 "[ . 1 . ]" 1
185 1 39 VAL HA 2 11 TYR QD 3.510 . 4.563 3.060 1.966 4.256 . 0 0 "[ . 1 . ]" 1
186 1 39 VAL QG 2 11 TYR QD 4.180 . 5.434 3.243 2.033 4.269 . 0 0 "[ . 1 . ]" 1
187 1 39 VAL H 2 11 TYR QD 4.210 . 5.473 5.120 4.097 5.605 0.132 2 0 "[ . 1 . ]" 1
188 1 40 VAL H 2 11 TYR QD 4.200 . 5.460 3.508 2.382 4.552 . 0 0 "[ . 1 . ]" 1
189 2 9 VAL QG 2 11 TYR HD1 3.820 . 4.966 3.236 2.576 3.927 . 0 0 "[ . 1 . ]" 1
190 2 9 VAL QG 2 11 TYR HD2 3.820 . 4.966 4.975 4.228 5.132 0.166 17 0 "[ . 1 . ]" 1
191 2 10 TYR HA 2 11 TYR QE 3.830 . 4.979 4.846 4.220 5.156 0.177 11 0 "[ . 1 . ]" 1
192 2 11 TYR QE 2 19 TYR QE 2.270 . 2.951 2.803 1.958 3.087 0.136 7 0 "[ . 1 . ]" 1
193 2 12 THR H 2 12 THR HB 2.990 . 3.887 3.618 3.006 3.687 . 0 0 "[ . 1 . ]" 1
194 2 12 THR HB 2 14 CYS H 4.050 . 5.265 5.394 5.227 5.533 0.268 6 0 "[ . 1 . ]" 1
195 1 70 LYS H 2 12 THR HB 4.230 . 5.499 3.398 2.809 4.362 . 0 0 "[ . 1 . ]" 1
196 2 12 THR H 2 12 THR MG 2.780 . 3.614 1.871 1.752 2.151 0.048 13 0 "[ . 1 . ]" 1
197 1 38 LYS H 2 12 THR MG 3.020 . 3.926 3.922 3.161 4.128 0.202 9 0 "[ . 1 . ]" 1
198 1 70 LYS H 2 12 THR MG 4.430 . 5.759 3.958 3.110 5.034 . 0 0 "[ . 1 . ]" 1
199 1 37 GLY QA 2 12 THR H 4.140 . 5.382 4.372 4.145 4.971 . 0 0 "[ . 1 . ]" 1
200 1 39 VAL HA 2 12 THR H 3.670 . 4.771 3.781 3.345 4.343 . 0 0 "[ . 1 . ]" 1
201 1 39 VAL HB 2 12 THR H 4.500 . 5.850 5.893 5.696 6.071 0.221 15 0 "[ . 1 . ]" 1
202 1 40 VAL HB 2 12 THR H 3.900 . 5.070 4.825 4.335 5.098 0.028 19 0 "[ . 1 . ]" 1
203 2 12 THR HA 2 13 CYS H 3.580 . 4.654 2.215 2.080 2.537 . 0 0 "[ . 1 . ]" 1
204 2 12 THR HB 2 13 CYS H 2.460 . 3.198 3.107 2.479 3.382 0.184 8 0 "[ . 1 . ]" 1
205 2 12 THR MG 2 13 CYS H 3.260 . 4.238 4.175 3.711 4.328 0.090 7 0 "[ . 1 . ]" 1
206 2 12 THR H 2 13 CYS H 3.450 . 4.485 4.509 4.459 4.582 0.097 11 0 "[ . 1 . ]" 1
207 2 13 CYS H 2 13 CYS QB 2.980 . 3.874 3.307 3.152 3.466 . 0 0 "[ . 1 . ]" 1
208 2 13 CYS H 2 14 CYS QB 4.500 . 5.850 5.176 4.801 5.784 . 0 0 "[ . 1 . ]" 1
209 2 13 CYS H 2 15 PRO QD 3.800 . 4.940 4.684 3.890 5.038 0.098 5 0 "[ . 1 . ]" 1
210 1 68 HIS HD1 2 13 CYS H 3.830 . 4.979 5.030 4.663 5.184 0.205 4 0 "[ . 1 . ]" 1
211 1 69 PRO QB 2 13 CYS H 4.150 . 5.395 5.210 4.676 5.476 0.081 15 0 "[ . 1 . ]" 1
212 1 69 PRO QG 2 13 CYS H 4.470 . 5.811 4.909 3.925 5.870 0.059 9 0 "[ . 1 . ]" 1
213 1 70 LYS HA 2 13 CYS H 3.570 . 4.641 4.389 2.971 5.040 0.399 16 0 "[ . 1 . ]" 1
214 1 70 LYS QB 2 13 CYS H 2.720 . 3.536 2.145 1.792 3.040 0.008 1 0 "[ . 1 . ]" 1
215 1 70 LYS QE 2 13 CYS H 3.070 . 3.991 3.318 1.917 4.104 0.113 5 0 "[ . 1 . ]" 1
216 1 70 LYS QG 2 13 CYS H 3.230 . 4.199 2.246 1.696 3.746 0.104 16 0 "[ . 1 . ]" 1
217 1 70 LYS H 2 13 CYS H 3.160 . 4.108 4.153 4.016 4.257 0.149 16 0 "[ . 1 . ]" 1
218 1 71 GLN QG 2 13 CYS H 4.220 . 5.486 5.179 3.825 5.583 0.097 6 0 "[ . 1 . ]" 1
219 1 71 GLN H 2 13 CYS H 4.000 . 5.200 5.276 4.741 5.483 0.283 1 0 "[ . 1 . ]" 1
220 2 14 CYS HA 2 16 ASP H 3.540 . 4.602 3.644 3.358 3.946 . 0 0 "[ . 1 . ]" 1
221 2 14 CYS HA 2 17 THR H 4.080 . 5.304 4.936 4.530 5.330 0.026 18 0 "[ . 1 . ]" 1
222 2 14 CYS H 2 14 CYS QB 3.310 . 4.303 2.928 2.727 3.144 . 0 0 "[ . 1 . ]" 1
223 2 11 TYR QB 2 14 CYS H 4.120 . 5.356 4.169 3.894 4.464 . 0 0 "[ . 1 . ]" 1
224 2 12 THR MG 2 14 CYS H 4.560 . 5.928 5.578 5.012 5.830 . 0 0 "[ . 1 . ]" 1
225 2 13 CYS HA 2 14 CYS H 4.070 . 5.291 3.464 3.450 3.498 . 0 0 "[ . 1 . ]" 1
226 2 13 CYS QB 2 14 CYS H 3.850 . 5.005 2.885 2.513 3.295 . 0 0 "[ . 1 . ]" 1
227 2 13 CYS H 2 14 CYS H 3.550 . 4.615 2.617 2.272 3.382 . 0 0 "[ . 1 . ]" 1
228 2 15 PRO QB 2 17 THR H 4.500 . 5.785 4.792 4.406 5.304 . 0 0 "[ . 1 . ]" 1
229 2 16 ASP H 2 16 ASP HA 2.910 . 3.783 2.915 2.865 2.948 . 0 0 "[ . 1 . ]" 1
230 2 16 ASP HA 2 17 THR H 3.300 . 4.290 3.086 2.750 3.453 . 0 0 "[ . 1 . ]" 1
231 2 16 ASP H 2 16 ASP QB 3.210 . 3.757 2.438 2.155 2.838 . 0 0 "[ . 1 . ]" 1
232 2 16 ASP QB 2 17 THR H 3.750 . 4.875 3.614 2.993 3.893 . 0 0 "[ . 1 . ]" 1
233 2 14 CYS QB 2 16 ASP H 4.210 . 5.473 3.253 2.805 3.916 . 0 0 "[ . 1 . ]" 1
234 2 15 PRO HA 2 16 ASP H 3.320 . 4.316 3.418 3.104 3.556 . 0 0 "[ . 1 . ]" 1
235 2 15 PRO QB 2 16 ASP H 3.180 . 4.134 3.287 2.370 3.939 . 0 0 "[ . 1 . ]" 1
236 2 15 PRO QD 2 16 ASP H 3.720 . 4.836 2.495 1.953 2.966 . 0 0 "[ . 1 . ]" 1
237 2 15 PRO QG 2 16 ASP H 3.560 . 4.628 3.328 2.346 4.085 . 0 0 "[ . 1 . ]" 1
238 2 16 ASP H 2 17 THR HA 3.940 . 5.122 4.951 4.476 5.159 0.037 17 0 "[ . 1 . ]" 1
239 2 16 ASP H 2 17 THR MG 3.790 . 4.927 3.730 2.667 4.974 0.047 19 0 "[ . 1 . ]" 1
240 2 17 THR H 2 17 THR HB 3.270 . 4.251 3.563 2.968 3.947 . 0 0 "[ . 1 . ]" 1
241 2 14 CYS QB 2 17 THR H 3.750 . 4.875 3.262 2.753 3.898 . 0 0 "[ . 1 . ]" 1
242 2 16 ASP H 2 17 THR H 2.620 . 3.406 2.567 1.900 3.185 . 0 0 "[ . 1 . ]" 1
243 2 17 THR H 2 17 THR MG 3.520 . 4.576 2.851 2.018 3.973 . 0 0 "[ . 1 . ]" 1
244 2 10 TYR QE 2 18 PRO HA 3.730 . 4.849 3.872 2.663 4.890 0.041 11 0 "[ . 1 . ]" 1
245 2 10 TYR QE 2 18 PRO QB 3.830 . 4.979 2.303 1.789 3.544 0.011 3 0 "[ . 1 . ]" 1
246 1 36 ARG QD 2 19 TYR QD 3.000 . 3.900 3.964 3.863 4.040 0.140 5 0 "[ . 1 . ]" 1
247 1 36 ARG QD 2 19 TYR QE 3.400 . 4.420 2.045 1.812 2.488 . 0 0 "[ . 1 . ]" 1
248 2 19 TYR QB 2 19 TYR QE 2.880 . 3.744 3.925 3.897 3.949 0.205 11 0 "[ . 1 . ]" 1
249 2 19 TYR H 2 19 TYR QB 2.680 . 3.484 2.680 2.419 2.959 . 0 0 "[ . 1 . ]" 1
250 2 19 TYR QB 2 20 LEU H 3.780 . 4.498 3.388 2.844 3.638 . 0 0 "[ . 1 . ]" 1
251 2 11 TYR QD 2 19 TYR QD 2.810 . 3.653 3.537 2.894 3.769 0.116 5 0 "[ . 1 . ]" 1
252 2 19 TYR QD 2 20 LEU H 4.020 . 5.226 4.578 4.301 4.929 . 0 0 "[ . 1 . ]" 1
253 2 9 VAL QG 2 19 TYR QE 3.700 . 4.810 4.483 3.327 4.795 . 0 0 "[ . 1 . ]" 1
254 2 11 TYR QB 2 19 TYR QE 3.910 . 5.083 3.276 2.014 4.446 . 0 0 "[ . 1 . ]" 1
255 2 14 CYS QB 2 19 TYR QE 3.790 . 4.927 4.986 4.947 5.043 0.116 8 0 "[ . 1 . ]" 1
256 2 17 THR HB 2 19 TYR QE 3.820 . 4.966 3.263 1.882 5.011 0.045 16 0 "[ . 1 . ]" 1
257 2 17 THR MG 2 19 TYR QE 3.560 . 4.628 3.564 1.962 4.651 0.023 6 0 "[ . 1 . ]" 1
258 2 19 TYR HA 2 19 TYR QE 4.080 . 5.304 4.750 4.598 4.974 . 0 0 "[ . 1 . ]" 1
259 2 19 TYR H 2 19 TYR HE1 4.150 . 5.395 4.468 3.808 5.468 0.073 18 0 "[ . 1 . ]" 1
260 2 9 VAL HB 2 19 TYR H 3.770 . 4.901 3.869 3.522 4.161 . 0 0 "[ . 1 . ]" 1
261 2 9 VAL H 2 19 TYR H 3.620 . 4.706 4.357 4.102 4.665 . 0 0 "[ . 1 . ]" 1
262 2 10 TYR QB 2 19 TYR H 4.070 . 5.291 5.191 4.691 5.407 0.116 18 0 "[ . 1 . ]" 1
263 2 11 TYR QD 2 19 TYR H 4.000 . 5.200 4.427 3.226 5.275 0.075 7 0 "[ . 1 . ]" 1
264 2 19 TYR H 2 19 TYR QD 3.110 . 4.043 2.488 1.791 3.219 0.009 2 0 "[ . 1 . ]" 1
265 2 8 TRP HZ3 2 20 LEU HA 3.790 . 4.927 3.931 3.610 4.694 . 0 0 "[ . 1 . ]" 1
266 2 20 LEU H 2 20 LEU QB 2.900 . 3.770 2.408 2.186 3.276 . 0 0 "[ . 1 . ]" 1
267 2 20 LEU H 2 20 LEU HG 3.950 . 5.135 4.182 3.294 4.871 . 0 0 "[ . 1 . ]" 1
268 2 20 LEU HG 2 21 ASP H 3.490 . 4.537 3.665 2.683 4.597 0.060 15 0 "[ . 1 . ]" 1
269 2 19 TYR HA 2 20 LEU H 2.580 . 3.354 2.142 2.092 2.242 . 0 0 "[ . 1 . ]" 1
270 2 19 TYR H 2 20 LEU H 4.440 . 5.772 4.278 4.020 4.466 . 0 0 "[ . 1 . ]" 1
271 1 2 VAL HA 1 15 THR H 3.850 . 5.005 4.438 4.071 5.005 0.000 4 0 "[ . 1 . ]" 1
272 1 2 VAL HA 1 3 CYS H 2.360 . 3.068 2.434 2.261 2.516 . 0 0 "[ . 1 . ]" 1
273 1 2 VAL HA 1 64 LYS H 4.600 . 5.980 4.009 3.792 4.168 . 0 0 "[ . 1 . ]" 1
274 1 2 VAL H 1 2 VAL HB 2.730 . 3.549 2.492 2.336 2.616 . 0 0 "[ . 1 . ]" 1
275 1 2 VAL H 1 2 VAL QG 2.790 . 3.627 2.385 2.141 2.587 . 0 0 "[ . 1 . ]" 1
276 1 2 VAL QG 1 3 CYS H 2.800 . 3.640 1.925 1.794 2.467 0.006 2 0 "[ . 1 . ]" 1
277 1 2 VAL QG 1 64 LYS H 3.480 . 4.524 2.641 2.226 3.148 . 0 0 "[ . 1 . ]" 1
278 1 1 ILE HA 1 2 VAL H 2.480 . 3.224 2.341 2.204 2.469 . 0 0 "[ . 1 . ]" 1
279 1 1 ILE HB 1 2 VAL H 3.490 . 4.537 2.761 2.057 3.312 . 0 0 "[ . 1 . ]" 1
280 1 1 ILE MD 1 2 VAL H 3.350 . 4.355 3.696 2.709 4.453 0.098 12 0 "[ . 1 . ]" 1
281 1 1 ILE QG 1 2 VAL H 2.960 . 3.848 2.578 1.785 3.526 0.015 19 0 "[ . 1 . ]" 1
282 1 2 VAL H 1 16 CYS H 4.380 . 5.694 5.140 4.878 5.291 . 0 0 "[ . 1 . ]" 1
283 1 2 VAL H 1 3 CYS H 3.840 . 4.992 4.563 4.548 4.581 . 0 0 "[ . 1 . ]" 1
284 1 2 VAL H 1 63 ASP QB 3.900 . 5.070 3.071 2.560 3.518 . 0 0 "[ . 1 . ]" 1
285 1 2 VAL H 1 64 LYS H 3.590 . 4.667 3.396 3.196 3.588 . 0 0 "[ . 1 . ]" 1
286 1 20 GLU H 1 20 GLU QB 3.050 . 3.965 2.557 2.112 3.419 . 0 0 "[ . 1 . ]" 1
287 1 20 GLU H 1 20 GLU QG 3.200 . 4.160 2.813 1.850 4.052 . 0 0 "[ . 1 . ]" 1
288 1 20 GLU QG 1 21 ASN H 3.320 . 4.316 3.849 1.963 4.426 0.110 16 0 "[ . 1 . ]" 1
289 1 16 CYS QB 1 20 GLU H 3.850 . 5.005 4.548 3.595 5.035 0.030 17 0 "[ . 1 . ]" 1
290 1 20 GLU H 1 21 ASN HA 4.360 . 5.668 5.196 4.660 5.401 . 0 0 "[ . 1 . ]" 1
291 1 20 GLU H 1 21 ASN QD 4.490 . 5.837 4.230 2.946 5.508 . 0 0 "[ . 1 . ]" 1
292 1 20 GLU H 1 46 ALA HA 3.850 . 5.005 5.027 4.812 5.199 0.194 17 0 "[ . 1 . ]" 1
293 2 21 ASP H 2 21 ASP QB 3.270 . 4.251 2.649 2.271 2.922 . 0 0 "[ . 1 . ]" 1
294 2 21 ASP QB 2 22 ILE H 4.080 . 5.304 3.499 2.638 4.011 . 0 0 "[ . 1 . ]" 1
295 2 7 HIS QB 2 21 ASP H 4.360 . 5.668 3.873 3.060 4.229 . 0 0 "[ . 1 . ]" 1
296 2 7 HIS H 2 21 ASP H 3.360 . 4.368 4.334 3.873 4.433 0.065 10 0 "[ . 1 . ]" 1
297 2 8 TRP HA 2 21 ASP H 3.530 . 4.589 2.629 1.960 3.050 . 0 0 "[ . 1 . ]" 1
298 2 20 LEU HA 2 21 ASP H 2.610 . 3.393 2.364 2.125 2.735 . 0 0 "[ . 1 . ]" 1
299 2 20 LEU H 2 21 ASP H 4.160 . 5.408 4.503 4.323 4.587 . 0 0 "[ . 1 . ]" 1
300 2 22 ILE MD 2 23 THR H 3.340 . 4.342 3.053 1.845 4.337 . 0 0 "[ . 1 . ]" 1
301 2 22 ILE MD 2 24 GLU H 4.050 . 5.265 4.505 3.140 5.284 0.019 5 0 "[ . 1 . ]" 1
302 2 22 ILE H 2 22 ILE QG 3.550 . 4.615 2.283 1.917 2.822 . 0 0 "[ . 1 . ]" 1
303 2 22 ILE QG 2 23 THR H 3.540 . 4.602 2.770 1.775 3.804 0.025 2 0 "[ . 1 . ]" 1
304 2 22 ILE H 2 22 ILE HB 3.180 . 4.134 3.621 2.656 3.936 . 0 0 "[ . 1 . ]" 1
305 2 22 ILE H 2 22 ILE MD 3.200 . 4.160 3.336 1.860 4.226 0.066 17 0 "[ . 1 . ]" 1
306 2 23 THR H 2 23 THR HB 2.350 . 3.055 2.835 2.470 3.155 0.100 12 0 "[ . 1 . ]" 1
307 2 23 THR HB 2 24 GLU H 3.390 . 4.407 4.054 2.074 4.414 0.007 6 0 "[ . 1 . ]" 1
308 2 23 THR H 2 23 THR HG1 3.290 . 4.277 2.560 1.790 3.589 0.010 18 0 "[ . 1 . ]" 1
309 2 23 THR HG1 2 24 GLU H 3.530 . 4.589 3.080 1.800 4.148 . 0 0 "[ . 1 . ]" 1
310 2 23 THR H 2 23 THR HA 2.510 . 3.263 2.886 2.838 2.944 . 0 0 "[ . 1 . ]" 1
311 2 24 GLU H 2 24 GLU HA 2.590 . 3.367 2.887 2.831 2.948 . 0 0 "[ . 1 . ]" 1
312 2 24 GLU HA 2 25 GLU H 2.790 . 3.627 2.862 2.142 3.567 . 0 0 "[ . 1 . ]" 1
313 2 24 GLU H 2 24 GLU QB 3.650 . 4.745 2.661 2.096 3.385 . 0 0 "[ . 1 . ]" 1
314 2 24 GLU QB 2 25 GLU H 4.010 . 5.213 2.869 1.960 4.018 . 0 0 "[ . 1 . ]" 1
315 2 24 GLU H 2 24 GLU QG 3.250 . 4.225 2.888 1.980 3.982 . 0 0 "[ . 1 . ]" 1
316 2 24 GLU QG 2 25 GLU H 4.540 . 5.902 3.917 1.947 4.454 . 0 0 "[ . 1 . ]" 1
317 2 25 GLU H 2 25 GLU QB 3.590 . 4.667 2.991 2.522 3.382 . 0 0 "[ . 1 . ]" 1
318 2 25 GLU H 2 25 GLU QG 3.880 . 5.044 2.199 1.977 2.657 . 0 0 "[ . 1 . ]" 1
319 2 23 THR HG1 2 25 GLU H 4.340 . 5.642 4.114 2.370 5.226 . 0 0 "[ . 1 . ]" 1
320 2 24 GLU H 2 25 GLU H 3.570 . 4.641 3.436 2.147 4.615 . 0 0 "[ . 1 . ]" 1
321 1 21 ASN HA 1 21 ASN QD 3.890 . 5.057 3.520 1.742 3.966 0.058 15 0 "[ . 1 . ]" 1
322 1 21 ASN H 1 21 ASN QB 2.910 . 3.783 2.901 2.197 3.179 . 0 0 "[ . 1 . ]" 1
323 1 21 ASN QB 1 22 LEU H 3.650 . 4.745 3.631 3.442 3.917 . 0 0 "[ . 1 . ]" 1
324 1 21 ASN H 1 21 ASN QD 3.700 . 4.810 2.446 1.877 4.096 . 0 0 "[ . 1 . ]" 1
325 1 21 ASN QD 1 22 LEU QB 4.550 . 5.915 4.985 4.410 6.037 0.122 16 0 "[ . 1 . ]" 1
326 1 20 GLU HA 1 21 ASN H 2.520 . 3.276 2.269 2.145 2.719 . 0 0 "[ . 1 . ]" 1
327 1 20 GLU QB 1 21 ASN H 4.020 . 5.226 3.380 2.405 4.056 . 0 0 "[ . 1 . ]" 1
328 1 21 ASN H 1 22 LEU HG 4.380 . 5.694 5.294 3.179 5.843 0.149 2 0 "[ . 1 . ]" 1
329 1 21 ASN H 1 45 ALA H 4.180 . 5.434 5.198 4.235 5.483 0.049 14 0 "[ . 1 . ]" 1
330 1 21 ASN H 1 46 ALA HA 2.850 . 3.705 3.191 2.570 3.764 0.059 14 0 "[ . 1 . ]" 1
331 1 21 ASN H 1 46 ALA MB 3.040 . 3.952 3.866 3.343 4.215 0.263 17 0 "[ . 1 . ]" 1
332 1 21 ASN QD 1 22 LEU HA 3.950 . 5.135 5.228 5.168 5.341 0.206 4 0 "[ . 1 . ]" 1
333 1 22 LEU H 1 22 LEU HA 2.790 . 3.627 2.866 2.820 2.912 . 0 0 "[ . 1 . ]" 1
334 1 22 LEU HA 1 23 CYS H 2.410 . 3.133 2.256 2.090 2.724 . 0 0 "[ . 1 . ]" 1
335 1 22 LEU H 1 22 LEU QB 2.940 . 3.822 2.306 2.023 3.343 . 0 0 "[ . 1 . ]" 1
336 1 22 LEU QB 1 23 CYS H 3.390 . 4.056 3.077 1.786 3.772 0.014 16 0 "[ . 1 . ]" 1
337 1 22 LEU QB 1 45 ALA H 3.420 . 4.446 3.328 2.805 4.387 . 0 0 "[ . 1 . ]" 1
338 1 22 LEU QD 1 48 CYS H 2.610 . 3.393 2.931 1.881 3.435 0.042 4 0 "[ . 1 . ]" 1
339 1 22 LEU H 1 22 LEU HG 3.290 . 4.277 3.954 1.991 4.420 0.143 15 0 "[ . 1 . ]" 1
340 1 22 LEU HG 1 23 CYS H 2.990 . 3.887 3.451 2.906 4.171 0.284 16 0 "[ . 1 . ]" 1
341 1 22 LEU HG 1 60 CYS H 3.410 . 4.433 3.937 3.027 4.781 0.348 16 0 "[ . 1 . ]" 1
342 1 20 GLU HA 1 22 LEU H 3.290 . 4.277 3.616 3.104 4.454 0.177 19 0 "[ . 1 . ]" 1
343 1 20 GLU QB 1 22 LEU H 4.580 . 5.954 3.636 2.824 4.753 . 0 0 "[ . 1 . ]" 1
344 1 21 ASN HA 1 22 LEU H 2.480 . 3.224 3.130 2.611 3.296 0.072 4 0 "[ . 1 . ]" 1
345 1 21 ASN H 1 22 LEU H 2.740 . 3.562 2.107 1.779 3.175 0.021 8 0 "[ . 1 . ]" 1
346 1 22 LEU H 1 23 CYS H 3.760 . 4.888 4.451 4.217 4.568 . 0 0 "[ . 1 . ]" 1
347 1 22 LEU H 1 45 ALA HA 4.360 . 5.668 4.956 4.486 5.354 . 0 0 "[ . 1 . ]" 1
348 1 22 LEU H 1 45 ALA MB 3.700 . 4.810 4.547 3.383 4.849 0.039 5 0 "[ . 1 . ]" 1
349 1 22 LEU H 1 45 ALA H 3.010 . 3.913 3.489 2.628 3.915 0.002 2 0 "[ . 1 . ]" 1
350 1 22 LEU H 1 46 ALA HA 3.420 . 4.446 3.321 2.617 4.258 . 0 0 "[ . 1 . ]" 1
351 1 23 CYS HA 1 24 TYR H 2.610 . 3.393 2.190 2.152 2.311 . 0 0 "[ . 1 . ]" 1
352 1 23 CYS HA 1 43 GLY H 4.020 . 5.226 4.436 4.125 4.755 . 0 0 "[ . 1 . ]" 1
353 1 23 CYS HA 1 45 ALA H 3.360 . 4.368 3.472 2.713 3.937 . 0 0 "[ . 1 . ]" 1
354 1 23 CYS HA 1 60 CYS H 4.400 . 5.720 4.671 4.272 4.948 . 0 0 "[ . 1 . ]" 1
355 1 23 CYS HA 1 66 ASN H 4.280 . 5.564 5.753 5.667 5.875 0.311 14 0 "[ . 1 . ]" 1
356 1 23 CYS H 1 23 CYS QB 3.120 . 4.056 2.458 2.245 2.720 . 0 0 "[ . 1 . ]" 1
357 1 23 CYS QB 1 60 CYS H 3.690 . 4.797 3.651 3.309 3.926 . 0 0 "[ . 1 . ]" 1
358 1 23 CYS QB 1 66 ASN H 3.990 . 5.109 3.107 2.966 3.213 . 0 0 "[ . 1 . ]" 1
359 1 23 CYS H 1 24 TYR HA 4.260 . 5.538 4.885 4.254 5.353 . 0 0 "[ . 1 . ]" 1
360 1 23 CYS H 1 24 TYR H 4.040 . 5.252 4.267 3.606 4.603 . 0 0 "[ . 1 . ]" 1
361 1 23 CYS H 1 59 CYS HA 3.980 . 5.174 4.682 3.808 5.216 0.042 17 0 "[ . 1 . ]" 1
362 1 24 TYR HA 1 25 ARG H 2.500 . 3.250 2.223 2.129 2.352 . 0 0 "[ . 1 . ]" 1
363 1 24 TYR HA 1 58 THR H 3.960 . 5.148 4.380 3.895 5.009 . 0 0 "[ . 1 . ]" 1
364 1 24 TYR HA 1 59 CYS H 4.090 . 5.317 4.514 3.976 4.870 . 0 0 "[ . 1 . ]" 1
365 1 24 TYR HA 1 60 CYS H 3.170 . 4.121 3.343 2.989 3.645 . 0 0 "[ . 1 . ]" 1
366 1 24 TYR QB 1 24 TYR QE 3.280 . 4.264 3.926 3.917 3.935 . 0 0 "[ . 1 . ]" 1
367 1 24 TYR H 1 24 TYR QB 3.500 . 4.550 2.735 2.501 3.015 . 0 0 "[ . 1 . ]" 1
368 1 24 TYR QB 1 25 ARG H 2.900 . 3.770 2.646 2.429 2.814 . 0 0 "[ . 1 . ]" 1
369 1 23 CYS HA 1 24 TYR QD 3.620 . 4.706 3.679 3.436 4.020 . 0 0 "[ . 1 . ]" 1
370 1 23 CYS H 1 24 TYR QD 4.280 . 5.564 5.571 5.140 5.746 0.182 6 0 "[ . 1 . ]" 1
371 1 24 TYR HA 1 24 TYR QD 3.070 . 3.991 3.732 3.719 3.744 . 0 0 "[ . 1 . ]" 1
372 1 24 TYR QB 1 24 TYR QD 2.570 . 3.341 2.138 2.129 2.154 . 0 0 "[ . 1 . ]" 1
373 1 24 TYR H 1 24 TYR QD 2.940 . 3.822 2.278 1.903 2.653 . 0 0 "[ . 1 . ]" 1
374 1 24 TYR QD 1 25 ARG HA 3.220 . 4.186 3.787 3.496 4.161 . 0 0 "[ . 1 . ]" 1
375 1 24 TYR QD 1 25 ARG H 3.130 . 4.069 3.529 3.260 3.700 . 0 0 "[ . 1 . ]" 1
376 1 24 TYR QD 1 26 LYS HA 3.910 . 5.083 3.680 3.244 4.300 . 0 0 "[ . 1 . ]" 1
377 1 24 TYR QD 1 26 LYS QB 2.970 . 3.861 2.570 2.062 3.226 . 0 0 "[ . 1 . ]" 1
378 1 24 TYR QD 1 26 LYS QE 3.140 . 4.082 4.133 3.938 4.269 0.187 9 0 "[ . 1 . ]" 1
379 1 24 TYR QD 1 26 LYS H 3.630 . 4.719 2.455 1.989 2.831 . 0 0 "[ . 1 . ]" 1
380 1 24 TYR QD 1 41 GLU QB 3.880 . 5.044 5.018 4.168 5.310 0.266 1 0 "[ . 1 . ]" 1
381 1 24 TYR QD 1 41 GLU QG 3.620 . 4.706 4.721 3.566 4.984 0.278 15 0 "[ . 1 . ]" 1
382 1 24 TYR QD 1 43 GLY QA 3.690 . 4.797 3.691 3.502 3.917 . 0 0 "[ . 1 . ]" 1
383 1 24 TYR QD 1 44 CYS H 3.130 . 4.069 3.987 3.454 4.123 0.054 1 0 "[ . 1 . ]" 1
384 1 24 TYR QD 1 45 ALA HA 3.760 . 4.888 4.396 3.210 4.925 0.037 1 0 "[ . 1 . ]" 1
385 1 24 TYR QD 1 45 ALA MB 2.430 . 3.159 2.473 1.908 2.912 . 0 0 "[ . 1 . ]" 1
386 1 24 TYR QD 1 45 ALA H 4.170 . 5.421 3.162 2.218 4.151 . 0 0 "[ . 1 . ]" 1
387 1 24 TYR QD 1 57 VAL HB 4.390 . 5.707 4.587 3.074 5.622 . 0 0 "[ . 1 . ]" 1
388 1 24 TYR QD 1 57 VAL QG 3.240 . 4.212 2.918 1.898 4.256 0.044 5 0 "[ . 1 . ]" 1
389 1 24 TYR QD 1 59 CYS HA 4.150 . 5.395 5.170 4.693 5.422 0.027 15 0 "[ . 1 . ]" 1
390 1 23 CYS HA 1 24 TYR QE 4.110 . 5.343 5.126 4.900 5.385 0.042 11 0 "[ . 1 . ]" 1
391 1 24 TYR HA 1 24 TYR QE 4.250 . 5.525 5.634 5.618 5.650 0.125 7 0 "[ . 1 . ]" 1
392 1 24 TYR H 1 24 TYR QE 3.900 . 5.070 4.017 3.856 4.217 . 0 0 "[ . 1 . ]" 1
393 1 24 TYR QE 1 26 LYS HA 4.260 . 5.538 4.835 4.205 5.617 0.079 1 0 "[ . 1 . ]" 1
394 1 24 TYR QE 1 26 LYS QB 2.980 . 3.874 2.591 1.861 3.964 0.090 1 0 "[ . 1 . ]" 1
395 1 24 TYR QE 1 26 LYS QD 2.930 . 3.809 3.392 2.444 3.858 0.049 13 0 "[ . 1 . ]" 1
396 1 24 TYR QE 1 41 GLU QB 3.080 . 4.004 3.432 2.709 3.913 . 0 0 "[ . 1 . ]" 1
397 1 24 TYR QE 1 41 GLU QG 3.020 . 3.926 3.294 1.776 3.946 0.024 1 0 "[ . 1 . ]" 1
398 1 24 TYR QE 1 43 GLY QA 3.060 . 3.978 2.314 1.958 2.645 . 0 0 "[ . 1 . ]" 1
399 1 24 TYR QE 1 44 CYS H 3.860 . 5.018 2.625 1.968 3.036 . 0 0 "[ . 1 . ]" 1
400 1 24 TYR QE 1 45 ALA MB 2.760 . 3.588 3.275 2.634 3.641 0.053 9 0 "[ . 1 . ]" 1
401 1 24 TYR QE 1 57 VAL QG 3.880 . 5.044 4.439 3.629 5.098 0.054 5 0 "[ . 1 . ]" 1
402 1 23 CYS QB 1 24 TYR H 3.160 . 4.108 3.349 2.589 3.767 . 0 0 "[ . 1 . ]" 1
403 1 24 TYR H 1 25 ARG HA 4.460 . 5.798 5.178 4.850 5.495 . 0 0 "[ . 1 . ]" 1
404 1 24 TYR H 1 43 GLY H 3.160 . 4.108 3.270 2.541 3.769 . 0 0 "[ . 1 . ]" 1
405 1 24 TYR H 1 44 CYS HA 3.620 . 4.706 3.222 2.808 3.749 . 0 0 "[ . 1 . ]" 1
406 1 24 TYR H 1 66 ASN QB 3.980 . 5.174 3.803 2.945 4.268 . 0 0 "[ . 1 . ]" 1
407 1 25 ARG HA 1 25 ARG HE 4.200 . 5.460 3.703 1.967 4.953 . 0 0 "[ . 1 . ]" 1
408 1 25 ARG HA 1 26 LYS H 2.580 . 3.354 2.286 2.171 2.383 . 0 0 "[ . 1 . ]" 1
409 1 25 ARG HA 1 43 GLY H 3.730 . 4.849 4.159 3.782 4.462 . 0 0 "[ . 1 . ]" 1
410 1 25 ARG H 1 25 ARG QB 3.170 . 4.121 2.441 2.313 2.599 . 0 0 "[ . 1 . ]" 1
411 1 25 ARG QB 1 26 LYS H 3.710 . 4.823 3.903 3.756 4.071 . 0 0 "[ . 1 . ]" 1
412 1 25 ARG H 1 25 ARG QD 4.310 . 5.603 4.632 3.784 5.126 . 0 0 "[ . 1 . ]" 1
413 1 25 ARG QB 1 25 ARG HE 3.450 . 4.485 3.439 2.488 4.386 . 0 0 "[ . 1 . ]" 1
414 1 25 ARG HE 1 25 ARG QG 3.570 . 4.173 2.858 2.139 3.422 . 0 0 "[ . 1 . ]" 1
415 1 25 ARG HE 1 27 MET QG 4.150 . 5.395 4.392 2.420 5.423 0.028 2 0 "[ . 1 . ]" 1
416 1 25 ARG H 1 25 ARG QG 3.530 . 4.589 3.575 2.463 4.172 . 0 0 "[ . 1 . ]" 1
417 1 25 ARG QG 1 26 LYS H 3.820 . 4.966 4.221 3.663 4.851 . 0 0 "[ . 1 . ]" 1
418 1 24 TYR QE 1 25 ARG H 4.280 . 5.564 5.631 5.412 5.726 0.162 6 0 "[ . 1 . ]" 1
419 1 25 ARG H 1 26 LYS HA 4.610 . 5.993 4.556 4.374 4.776 . 0 0 "[ . 1 . ]" 1
420 1 25 ARG H 1 26 LYS H 4.140 . 5.382 3.721 3.417 3.893 . 0 0 "[ . 1 . ]" 1
421 1 25 ARG H 1 42 LEU QD 3.910 . 5.083 4.945 4.261 5.293 0.210 9 0 "[ . 1 . ]" 1
422 1 25 ARG H 1 57 VAL QG 3.600 . 4.680 3.152 2.135 4.707 0.027 5 0 "[ . 1 . ]" 1
423 1 25 ARG H 1 58 THR MG 3.770 . 4.901 4.624 3.938 4.913 0.012 10 0 "[ . 1 . ]" 1
424 1 25 ARG H 1 66 ASN QB 4.390 . 5.707 4.403 3.665 4.848 . 0 0 "[ . 1 . ]" 1
425 1 26 LYS HA 1 27 MET H 2.540 . 3.302 2.155 2.052 2.255 . 0 0 "[ . 1 . ]" 1
426 1 26 LYS HA 1 28 TRP H 4.630 . 6.019 6.070 5.727 6.240 0.221 6 0 "[ . 1 . ]" 1
427 1 26 LYS HA 1 28 TRP HZ3 4.410 . 5.733 5.128 4.081 5.934 0.201 11 0 "[ . 1 . ]" 1
428 1 26 LYS HA 1 56 GLU H 4.030 . 5.239 5.068 4.492 5.324 0.085 14 0 "[ . 1 . ]" 1
429 1 26 LYS HA 1 58 THR H 3.390 . 4.407 3.987 2.904 4.466 0.059 14 0 "[ . 1 . ]" 1
430 1 26 LYS H 1 26 LYS QB 3.310 . 4.303 2.337 2.015 2.994 . 0 0 "[ . 1 . ]" 1
431 1 26 LYS QB 1 28 TRP HZ3 3.450 . 4.485 3.191 1.906 4.062 . 0 0 "[ . 1 . ]" 1
432 1 26 LYS QD 1 27 MET H 3.760 . 4.888 4.288 3.338 4.947 0.059 15 0 "[ . 1 . ]" 1
433 1 26 LYS QD 1 28 TRP HZ3 3.070 . 3.991 2.422 1.751 3.151 0.049 1 0 "[ . 1 . ]" 1
434 1 26 LYS H 1 26 LYS QE 4.440 . 5.772 4.367 2.946 5.344 . 0 0 "[ . 1 . ]" 1
435 1 26 LYS QG 1 27 MET H 3.410 . 4.433 3.398 2.063 4.456 0.023 6 0 "[ . 1 . ]" 1
436 1 26 LYS H 1 26 LYS QD 3.920 . 5.096 4.510 3.363 4.877 . 0 0 "[ . 1 . ]" 1
437 1 26 LYS H 1 26 LYS QG 3.570 . 4.641 3.233 1.772 4.027 0.028 1 0 "[ . 1 . ]" 1
438 1 26 LYS H 1 40 VAL HA 4.180 . 5.434 5.297 5.027 5.472 0.038 11 0 "[ . 1 . ]" 1
439 1 26 LYS H 1 40 VAL QG 4.020 . 5.226 4.593 4.105 5.019 . 0 0 "[ . 1 . ]" 1
440 1 26 LYS H 1 41 GLU QG 3.820 . 4.966 3.940 3.499 4.557 . 0 0 "[ . 1 . ]" 1
441 1 26 LYS H 1 41 GLU H 3.210 . 4.173 3.761 3.462 4.006 . 0 0 "[ . 1 . ]" 1
442 1 26 LYS H 1 42 LEU QD 3.260 . 4.238 3.616 3.101 4.062 . 0 0 "[ . 1 . ]" 1
443 1 27 MET HA 1 28 TRP H 2.550 . 3.315 2.168 2.125 2.263 . 0 0 "[ . 1 . ]" 1
444 1 27 MET HA 1 28 TRP HZ3 4.320 . 5.616 4.439 2.981 5.623 0.007 12 0 "[ . 1 . ]" 1
445 1 27 MET HA 1 39 VAL H 4.040 . 5.252 4.407 3.915 5.004 . 0 0 "[ . 1 . ]" 1
446 1 27 MET H 1 27 MET QB 3.220 . 4.186 2.896 2.451 3.452 . 0 0 "[ . 1 . ]" 1
447 1 27 MET H 1 27 MET QG 3.590 . 4.667 3.247 1.959 4.258 . 0 0 "[ . 1 . ]" 1
448 1 27 MET QG 1 28 TRP H 3.800 . 4.940 3.710 1.903 4.623 . 0 0 "[ . 1 . ]" 1
449 1 26 LYS QB 1 27 MET H 3.850 . 5.005 3.457 2.566 3.917 . 0 0 "[ . 1 . ]" 1
450 1 27 MET H 1 28 TRP HE3 3.830 . 4.979 3.754 2.775 4.354 . 0 0 "[ . 1 . ]" 1
451 1 27 MET H 1 28 TRP H 4.180 . 5.434 4.252 4.092 4.381 . 0 0 "[ . 1 . ]" 1
452 1 27 MET H 1 55 GLU HA 4.030 . 5.239 5.070 4.559 5.368 0.129 3 0 "[ . 1 . ]" 1
453 1 27 MET H 1 57 VAL HA 3.380 . 4.394 3.462 2.909 4.060 . 0 0 "[ . 1 . ]" 1
454 1 27 MET H 1 57 VAL HB 3.960 . 5.148 4.103 3.130 5.164 0.016 5 0 "[ . 1 . ]" 1
455 1 27 MET H 1 57 VAL H 4.610 . 5.993 4.804 4.310 5.432 . 0 0 "[ . 1 . ]" 1
456 1 28 TRP HA 1 28 TRP HE3 3.590 . 4.667 4.300 3.890 4.542 . 0 0 "[ . 1 . ]" 1
457 1 28 TRP HA 1 29 CYS H 2.500 . 3.250 2.916 2.766 3.232 . 0 0 "[ . 1 . ]" 1
458 1 28 TRP QB 1 28 TRP HZ3 4.440 . 5.772 4.732 4.666 4.900 . 0 0 "[ . 1 . ]" 1
459 1 28 TRP QB 1 29 CYS H 3.180 . 4.134 1.891 1.786 1.976 0.014 15 0 "[ . 1 . ]" 1
460 1 28 TRP HA 1 28 TRP HD1 3.230 . 4.199 4.349 4.232 4.537 0.338 6 0 "[ . 1 . ]" 1
461 1 28 TRP QB 1 28 TRP HD1 2.670 . 3.471 2.624 2.469 2.713 . 0 0 "[ . 1 . ]" 1
462 1 28 TRP H 1 28 TRP HD1 3.950 . 5.135 4.439 4.189 4.692 . 0 0 "[ . 1 . ]" 1
463 1 28 TRP HD1 1 29 CYS H 3.520 . 4.576 2.162 1.837 2.972 . 0 0 "[ . 1 . ]" 1
464 1 28 TRP HD1 1 30 ASP HA 4.370 . 5.681 4.195 3.848 4.828 . 0 0 "[ . 1 . ]" 1
465 1 28 TRP HD1 1 30 ASP QB 3.700 . 4.810 3.530 2.864 4.943 0.133 2 0 "[ . 1 . ]" 1
466 1 28 TRP HD1 1 39 VAL HB 3.450 . 4.485 3.550 3.267 4.108 . 0 0 "[ . 1 . ]" 1
467 1 28 TRP HD1 1 39 VAL QG 3.780 . 4.914 3.132 2.099 3.881 . 0 0 "[ . 1 . ]" 1
468 1 28 TRP HD1 1 55 GLU QG 3.960 . 5.148 4.765 4.128 5.246 0.098 12 0 "[ . 1 . ]" 1
469 1 28 TRP HE1 1 30 ASP HA 4.500 . 5.850 4.338 3.912 5.297 . 0 0 "[ . 1 . ]" 1
470 1 28 TRP HE1 1 30 ASP QB 3.650 . 4.745 2.870 1.989 4.777 0.032 2 0 "[ . 1 . ]" 1
471 1 26 LYS HA 1 28 TRP HE3 4.190 . 5.447 4.835 4.254 5.488 0.041 1 0 "[ . 1 . ]" 1
472 1 26 LYS QB 1 28 TRP HE3 4.000 . 5.200 3.959 3.032 4.739 . 0 0 "[ . 1 . ]" 1
473 1 26 LYS QD 1 28 TRP HE3 3.960 . 5.148 3.209 2.368 4.650 . 0 0 "[ . 1 . ]" 1
474 1 28 TRP QB 1 28 TRP HE3 3.110 . 4.043 2.487 2.397 2.712 . 0 0 "[ . 1 . ]" 1
475 1 28 TRP HE3 1 29 CYS H 4.150 . 5.395 5.465 5.226 5.552 0.157 14 0 "[ . 1 . ]" 1
476 1 28 TRP HE3 1 39 VAL HB 4.320 . 5.616 4.181 3.429 5.097 . 0 0 "[ . 1 . ]" 1
477 1 28 TRP HE3 1 39 VAL QG 3.590 . 4.667 3.257 2.660 3.778 . 0 0 "[ . 1 . ]" 1
478 1 28 TRP HE3 1 41 GLU QG 4.130 . 5.369 4.507 3.564 5.562 0.193 11 0 "[ . 1 . ]" 1
479 1 28 TRP HE3 1 41 GLU H 4.330 . 5.629 5.539 5.332 5.730 0.101 1 0 "[ . 1 . ]" 1
480 1 28 TRP HE3 1 55 GLU QG 3.490 . 4.537 3.453 2.107 4.482 . 0 0 "[ . 1 . ]" 1
481 1 26 LYS QB 1 28 TRP HH2 4.570 . 5.941 5.102 3.624 5.997 0.056 6 0 "[ . 1 . ]" 1
482 1 26 LYS QD 1 28 TRP HH2 4.000 . 5.200 4.301 3.551 5.250 0.050 3 0 "[ . 1 . ]" 1
483 1 28 TRP HH2 1 39 VAL HB 4.210 . 5.473 5.123 4.411 5.532 0.059 15 0 "[ . 1 . ]" 1
484 1 28 TRP HH2 1 39 VAL QG 3.190 . 4.147 2.806 2.588 3.055 . 0 0 "[ . 1 . ]" 1
485 1 28 TRP HH2 1 41 GLU HA 4.440 . 5.772 5.879 5.740 6.037 0.265 9 0 "[ . 1 . ]" 1
486 1 28 TRP HH2 1 41 GLU QB 3.890 . 5.057 3.657 3.202 4.322 . 0 0 "[ . 1 . ]" 1
487 1 28 TRP HH2 1 41 GLU QG 3.330 . 4.329 2.947 1.954 3.649 . 0 0 "[ . 1 . ]" 1
488 1 27 MET QB 1 28 TRP H 3.150 . 4.095 3.117 2.565 3.770 . 0 0 "[ . 1 . ]" 1
489 1 28 TRP H 1 28 TRP HE3 3.150 . 4.095 3.337 2.619 3.842 . 0 0 "[ . 1 . ]" 1
490 1 28 TRP H 1 28 TRP HZ3 4.500 . 5.850 5.014 4.268 5.578 . 0 0 "[ . 1 . ]" 1
491 1 28 TRP H 1 29 CYS H 4.070 . 5.291 4.238 3.996 4.318 . 0 0 "[ . 1 . ]" 1
492 1 28 TRP H 1 38 LYS QG 3.190 . 4.147 4.004 3.598 4.190 0.043 16 0 "[ . 1 . ]" 1
493 1 28 TRP H 1 39 VAL H 3.160 . 4.108 2.787 2.207 3.439 . 0 0 "[ . 1 . ]" 1
494 1 28 TRP H 1 40 VAL HA 3.910 . 5.083 4.354 3.945 4.638 . 0 0 "[ . 1 . ]" 1
495 1 28 TRP H 1 40 VAL QG 4.630 . 6.019 4.408 4.116 4.695 . 0 0 "[ . 1 . ]" 1
496 1 28 TRP HZ2 1 39 VAL QG . . 3.679 2.268 2.116 2.426 . 0 0 "[ . 1 . ]" 1
497 1 28 TRP HZ2 1 41 GLU QG 4.400 . 5.720 4.945 3.917 5.813 0.093 11 0 "[ . 1 . ]" 1
498 1 28 TRP HD1 1 29 CYS HA 3.990 . 5.187 3.849 3.560 4.436 . 0 0 "[ . 1 . ]" 1
499 1 28 TRP H 1 29 CYS HA 4.340 . 5.642 4.702 4.425 4.919 . 0 0 "[ . 1 . ]" 1
500 1 29 CYS HA 1 30 ASP H 3.050 . 3.965 2.094 2.060 2.177 . 0 0 "[ . 1 . ]" 1
501 1 29 CYS HA 1 38 LYS H 4.280 . 5.564 5.119 4.583 5.628 0.064 18 0 "[ . 1 . ]" 1
502 1 29 CYS HA 1 39 VAL H 3.400 . 4.420 3.117 2.431 3.792 . 0 0 "[ . 1 . ]" 1
503 1 29 CYS H 1 29 CYS QB 2.690 . 3.497 2.458 2.111 2.876 . 0 0 "[ . 1 . ]" 1
504 1 29 CYS QB 1 30 ASP H 4.190 . 5.213 3.545 3.152 3.818 . 0 0 "[ . 1 . ]" 1
505 1 29 CYS H 1 38 LYS QG 4.130 . 5.317 4.164 3.791 4.582 . 0 0 "[ . 1 . ]" 1
506 1 29 CYS H 1 55 GLU HA 4.120 . 5.356 4.986 4.512 5.372 0.016 6 0 "[ . 1 . ]" 1
507 1 3 CYS HA 1 4 HIS H 2.630 . 3.419 2.170 2.118 2.290 . 0 0 "[ . 1 . ]" 1
508 1 3 CYS HA 1 64 LYS H 3.070 . 3.991 2.679 2.286 3.240 . 0 0 "[ . 1 . ]" 1
509 1 3 CYS HA 1 66 ASN QD 3.830 . 4.979 3.865 3.064 4.316 . 0 0 "[ . 1 . ]" 1
510 1 3 CYS H 1 3 CYS QB 3.070 . 3.991 2.777 2.685 2.906 . 0 0 "[ . 1 . ]" 1
511 1 3 CYS QB 1 4 HIS H 3.440 . 4.472 3.518 3.192 3.777 . 0 0 "[ . 1 . ]" 1
512 1 3 CYS QB 1 64 LYS H 4.480 . 5.824 4.234 3.759 4.789 . 0 0 "[ . 1 . ]" 1
513 1 3 CYS H 1 14 VAL H 3.190 . 4.147 3.250 2.585 3.644 . 0 0 "[ . 1 . ]" 1
514 1 3 CYS H 1 4 HIS H 4.090 . 5.317 4.251 4.045 4.396 . 0 0 "[ . 1 . ]" 1
515 1 3 CYS H 1 64 LYS H 4.370 . 5.681 3.569 3.322 3.944 . 0 0 "[ . 1 . ]" 1
516 1 30 ASP HA 1 31 ALA H 2.890 . 3.757 2.235 2.105 2.527 . 0 0 "[ . 1 . ]" 1
517 1 29 CYS H 1 30 ASP H 4.630 . 6.019 4.357 4.277 4.429 . 0 0 "[ . 1 . ]" 1
518 1 30 ASP H 1 33 CYS H 4.260 . 5.538 3.895 3.737 4.057 . 0 0 "[ . 1 . ]" 1
519 1 30 ASP H 1 38 LYS HA 4.350 . 5.655 2.045 1.868 2.320 . 0 0 "[ . 1 . ]" 1
520 1 30 ASP H 1 39 VAL HB 3.990 . 5.187 4.391 3.803 5.024 . 0 0 "[ . 1 . ]" 1
521 1 30 ASP H 1 39 VAL H 4.310 . 5.603 3.178 2.574 3.621 . 0 0 "[ . 1 . ]" 1
522 1 31 ALA HA 1 32 PHE H 3.630 . 4.719 3.551 3.456 3.594 . 0 0 "[ . 1 . ]" 1
523 1 31 ALA HA 1 33 CYS H 3.770 . 4.901 3.935 3.468 4.514 . 0 0 "[ . 1 . ]" 1
524 1 31 ALA H 1 31 ALA MB 2.490 . 3.237 3.039 3.018 3.057 . 0 0 "[ . 1 . ]" 1
525 1 31 ALA MB 1 32 PHE QD 3.330 . 4.329 4.516 4.447 4.648 0.319 18 0 "[ . 1 . ]" 1
526 1 31 ALA MB 1 32 PHE H 3.380 . 4.394 2.984 2.844 3.219 . 0 0 "[ . 1 . ]" 1
527 1 30 ASP QB 1 31 ALA H 3.050 . 3.965 3.928 3.831 4.005 0.040 18 0 "[ . 1 . ]" 1
528 1 31 ALA H 1 32 PHE H 3.480 . 4.524 2.986 2.716 3.129 . 0 0 "[ . 1 . ]" 1
529 1 31 ALA H 1 33 CYS H 4.430 . 5.759 3.178 2.932 3.863 . 0 0 "[ . 1 . ]" 1
530 1 32 PHE HA 1 32 PHE QD 3.060 . 3.978 1.870 1.779 1.971 0.021 1 0 "[ . 1 . ]" 1
531 1 32 PHE HA 1 32 PHE QE 3.810 . 4.953 4.074 4.051 4.089 . 0 0 "[ . 1 . ]" 1
532 1 32 PHE HA 1 33 CYS H 3.490 . 4.537 3.442 3.361 3.538 . 0 0 "[ . 1 . ]" 1
533 1 32 PHE H 1 32 PHE QB 3.670 . 4.316 2.226 2.183 2.267 . 0 0 "[ . 1 . ]" 1
534 1 32 PHE QB 1 33 CYS H 4.090 . 5.317 2.722 2.273 2.942 . 0 0 "[ . 1 . ]" 1
535 1 32 PHE H 1 32 PHE QD 3.360 . 4.368 3.955 3.913 4.036 . 0 0 "[ . 1 . ]" 1
536 1 32 PHE H 2 13 CYS QB 4.390 . 5.707 5.800 5.765 5.839 0.132 16 0 "[ . 1 . ]" 1
537 1 30 ASP HA 1 32 PHE H 4.310 . 5.603 4.150 4.003 4.333 . 0 0 "[ . 1 . ]" 1
538 1 32 PHE H 1 33 CYS QB 4.220 . 5.486 4.385 3.938 4.982 . 0 0 "[ . 1 . ]" 1
539 1 33 CYS H 1 33 CYS HA 2.970 . 3.861 2.864 2.820 2.895 . 0 0 "[ . 1 . ]" 1
540 1 33 CYS H 1 33 CYS QB 2.710 . 3.523 2.387 2.047 2.858 . 0 0 "[ . 1 . ]" 1
541 1 29 CYS HA 1 33 CYS H 4.010 . 5.213 4.245 3.875 4.489 . 0 0 "[ . 1 . ]" 1
542 1 29 CYS QB 1 33 CYS H 3.580 . 4.654 3.490 2.639 4.431 . 0 0 "[ . 1 . ]" 1
543 1 31 ALA MB 1 33 CYS H 3.920 . 5.096 4.407 4.170 4.996 . 0 0 "[ . 1 . ]" 1
544 1 32 PHE H 1 33 CYS H 3.100 . 4.030 2.357 2.265 2.639 . 0 0 "[ . 1 . ]" 1
545 1 33 CYS H 1 34 SER H 3.680 . 4.784 2.230 2.042 2.442 . 0 0 "[ . 1 . ]" 1
546 1 34 SER HA 1 35 SER H 3.600 . 4.680 3.574 3.562 3.597 . 0 0 "[ . 1 . ]" 1
547 1 34 SER H 1 34 SER QB 2.560 . 3.328 2.289 2.161 2.924 . 0 0 "[ . 1 . ]" 1
548 1 34 SER QB 1 35 SER H 4.070 . 5.239 2.055 1.878 2.557 . 0 0 "[ . 1 . ]" 1
549 1 33 CYS HA 1 34 SER H 3.910 . 5.083 3.468 3.419 3.489 . 0 0 "[ . 1 . ]" 1
550 1 35 SER H 1 35 SER QB 3.570 . 4.641 3.138 2.991 3.256 . 0 0 "[ . 1 . ]" 1
551 1 35 SER QB 1 36 ARG H 4.080 . 5.304 3.199 2.865 3.333 . 0 0 "[ . 1 . ]" 1
552 1 33 CYS HA 1 35 SER H 4.330 . 5.629 5.789 5.724 5.826 0.197 19 0 "[ . 1 . ]" 1
553 1 34 SER H 1 35 SER H 3.320 . 4.316 2.825 2.781 2.884 . 0 0 "[ . 1 . ]" 1
554 1 35 SER H 1 36 ARG H 2.960 . 3.848 2.307 2.209 2.535 . 0 0 "[ . 1 . ]" 1
555 1 32 PHE QB 1 36 ARG H 4.270 . 5.551 5.644 5.602 5.726 0.175 13 0 "[ . 1 . ]" 1
556 1 35 SER HA 1 36 ARG H 3.850 . 5.005 3.616 3.600 3.650 . 0 0 "[ . 1 . ]" 1
557 1 36 ARG H 1 36 ARG QB 3.580 . 4.654 2.669 2.137 2.954 . 0 0 "[ . 1 . ]" 1
558 1 36 ARG H 1 36 ARG QD 3.650 . 4.745 4.198 3.699 4.884 0.139 4 0 "[ . 1 . ]" 1
559 1 37 GLY QA 1 38 LYS H 2.850 . 3.705 2.231 2.174 2.281 . 0 0 "[ . 1 . ]" 1
560 1 35 SER H 1 37 GLY H 3.700 . 4.810 4.818 4.685 4.866 0.056 2 0 "[ . 1 . ]" 1
561 1 36 ARG HA 1 37 GLY H 3.850 . 5.005 3.606 3.564 3.690 . 0 0 "[ . 1 . ]" 1
562 1 36 ARG H 1 37 GLY H 3.020 . 3.926 3.439 3.215 3.535 . 0 0 "[ . 1 . ]" 1
563 1 37 GLY H 1 38 LYS H 3.780 . 4.914 4.355 4.211 4.453 . 0 0 "[ . 1 . ]" 1
564 1 29 CYS H 1 38 LYS HA 4.360 . 5.668 5.014 4.717 5.235 . 0 0 "[ . 1 . ]" 1
565 1 38 LYS HA 1 39 VAL H 2.600 . 3.380 2.434 2.182 2.595 . 0 0 "[ . 1 . ]" 1
566 1 38 LYS H 1 38 LYS QB 2.880 . 3.744 2.122 2.054 2.210 . 0 0 "[ . 1 . ]" 1
567 1 29 CYS H 1 38 LYS QD 4.640 . 6.032 5.750 4.963 6.047 0.015 5 0 "[ . 1 . ]" 1
568 1 38 LYS QD 1 39 VAL H 3.900 . 5.070 4.623 3.779 5.090 0.020 8 0 "[ . 1 . ]" 1
569 1 38 LYS H 1 38 LYS QG 3.330 . 4.329 3.734 3.137 3.900 . 0 0 "[ . 1 . ]" 1
570 1 38 LYS QG 1 39 VAL H 3.200 . 4.160 2.944 2.485 3.254 . 0 0 "[ . 1 . ]" 1
571 1 38 LYS H 2 11 TYR HA 4.520 . 5.876 4.412 3.655 4.987 . 0 0 "[ . 1 . ]" 1
572 1 38 LYS H 2 12 THR H 3.000 . 3.900 3.140 2.792 3.925 0.025 8 0 "[ . 1 . ]" 1
573 1 38 LYS H 1 38 LYS HA 2.720 . 3.536 2.890 2.844 2.926 . 0 0 "[ . 1 . ]" 1
574 1 38 LYS H 1 38 LYS QD 3.270 . 4.251 3.348 2.630 4.245 . 0 0 "[ . 1 . ]" 1
575 1 38 LYS H 1 39 VAL H 4.010 . 5.213 4.556 4.500 4.623 . 0 0 "[ . 1 . ]" 1
576 1 28 TRP HE1 1 39 VAL HA 4.290 . 5.577 5.510 5.313 5.657 0.080 9 0 "[ . 1 . ]" 1
577 1 39 VAL HA 1 40 VAL H 2.650 . 3.445 2.173 2.111 2.241 . 0 0 "[ . 1 . ]" 1
578 1 28 TRP HE1 1 39 VAL HB 3.230 . 4.199 3.454 2.833 4.079 . 0 0 "[ . 1 . ]" 1
579 1 28 TRP H 1 39 VAL HB 3.720 . 4.836 2.448 1.755 3.413 0.045 1 0 "[ . 1 . ]" 1
580 1 28 TRP HZ2 1 39 VAL HB 3.480 . 4.524 4.223 3.746 4.721 0.197 18 0 "[ . 1 . ]" 1
581 1 28 TRP HZ3 1 39 VAL HB 4.470 . 5.811 5.104 4.169 5.772 . 0 0 "[ . 1 . ]" 1
582 1 39 VAL H 1 39 VAL HB 2.630 . 3.419 2.397 2.144 2.854 . 0 0 "[ . 1 . ]" 1
583 1 39 VAL HB 1 40 VAL H 3.680 . 4.784 4.081 3.747 4.257 . 0 0 "[ . 1 . ]" 1
584 1 39 VAL QG 2 12 THR H 4.340 . 5.642 4.653 4.374 4.953 . 0 0 "[ . 1 . ]" 1
585 1 28 TRP HE1 1 39 VAL QG 3.310 . 4.303 2.193 1.905 2.606 . 0 0 "[ . 1 . ]" 1
586 1 28 TRP H 1 39 VAL QG 3.230 . 4.199 2.822 2.338 3.513 . 0 0 "[ . 1 . ]" 1
587 1 28 TRP HZ3 1 39 VAL QG 3.660 . 4.758 3.177 2.750 3.614 . 0 0 "[ . 1 . ]" 1
588 1 39 VAL H 1 39 VAL QG 2.780 . 3.614 2.759 1.958 3.024 . 0 0 "[ . 1 . ]" 1
589 1 39 VAL QG 1 40 VAL H 2.810 . 3.653 2.095 1.853 2.485 . 0 0 "[ . 1 . ]" 1
590 1 39 VAL QG 1 41 GLU H 4.060 . 5.278 3.650 3.008 4.703 . 0 0 "[ . 1 . ]" 1
591 1 28 TRP HA 1 39 VAL H 4.420 . 5.746 4.464 4.051 5.022 . 0 0 "[ . 1 . ]" 1
592 1 28 TRP HE1 1 39 VAL H 4.590 . 5.967 5.225 4.560 5.697 . 0 0 "[ . 1 . ]" 1
593 1 29 CYS QB 1 39 VAL H 4.480 . 5.824 4.903 4.225 5.422 . 0 0 "[ . 1 . ]" 1
594 1 29 CYS H 1 39 VAL H 4.540 . 5.902 4.403 3.934 4.708 . 0 0 "[ . 1 . ]" 1
595 1 4 HIS HA 1 66 ASN QD 4.200 . 5.460 3.772 3.462 4.166 . 0 0 "[ . 1 . ]" 1
596 1 4 HIS H 1 4 HIS QB 3.240 . 4.212 2.218 2.147 2.336 . 0 0 "[ . 1 . ]" 1
597 1 4 HIS HD1 1 13 ALA HA 3.590 . 4.667 3.442 2.595 4.666 . 0 0 "[ . 1 . ]" 1
598 1 4 HIS QB 1 4 HIS HD1 2.930 . 3.809 2.425 2.329 2.520 . 0 0 "[ . 1 . ]" 1
599 1 4 HIS H 1 4 HIS HD1 3.230 . 4.199 3.688 2.875 4.069 . 0 0 "[ . 1 . ]" 1
600 1 4 HIS HD1 1 64 LYS HA 2.880 . 3.744 3.382 1.908 3.875 0.131 5 0 "[ . 1 . ]" 1
601 1 4 HIS HD1 1 64 LYS QB 4.240 . 5.512 2.562 1.796 4.113 0.004 19 0 "[ . 1 . ]" 1
602 1 4 HIS HD1 1 64 LYS QD 3.410 . 4.433 3.746 2.446 4.579 0.146 5 0 "[ . 1 . ]" 1
603 1 4 HIS HD1 1 64 LYS QG 3.810 . 4.953 3.576 2.068 4.639 . 0 0 "[ . 1 . ]" 1
604 1 4 HIS HD1 1 65 CYS HA 3.940 . 5.122 4.796 4.346 5.181 0.059 15 0 "[ . 1 . ]" 1
605 1 4 HIS HD1 1 66 ASN H 2.870 . 3.731 3.433 2.872 3.826 0.095 18 0 "[ . 1 . ]" 1
606 1 2 VAL QG 1 4 HIS H 4.340 . 5.642 4.263 3.628 4.665 . 0 0 "[ . 1 . ]" 1
607 1 4 HIS H 1 23 CYS QB 4.320 . 5.616 3.729 3.226 4.116 . 0 0 "[ . 1 . ]" 1
608 1 4 HIS H 1 64 LYS H 4.040 . 5.252 4.153 3.759 4.910 . 0 0 "[ . 1 . ]" 1
609 1 40 VAL HA 1 41 GLU H 2.550 . 3.315 2.106 2.067 2.157 . 0 0 "[ . 1 . ]" 1
610 1 40 VAL H 1 40 VAL HB 3.020 . 3.926 3.003 2.817 3.117 . 0 0 "[ . 1 . ]" 1
611 1 40 VAL HB 1 41 GLU H 3.820 . 4.966 4.036 3.794 4.288 . 0 0 "[ . 1 . ]" 1
612 1 40 VAL QG 2 12 THR H 3.200 . 4.160 2.290 1.927 2.579 . 0 0 "[ . 1 . ]" 1
613 1 40 VAL QG 2 13 CYS H 3.560 . 4.628 4.698 4.415 4.910 0.282 9 0 "[ . 1 . ]" 1
614 1 25 ARG HE 1 40 VAL QG 4.350 . 5.655 2.852 1.917 4.188 . 0 0 "[ . 1 . ]" 1
615 1 40 VAL H 1 40 VAL QG 3.240 . 4.212 2.600 2.424 2.736 . 0 0 "[ . 1 . ]" 1
616 1 40 VAL QG 1 41 GLU H 3.250 . 4.225 2.699 2.259 2.985 . 0 0 "[ . 1 . ]" 1
617 1 40 VAL QG 1 42 LEU H 4.030 . 5.239 4.116 3.368 5.072 . 0 0 "[ . 1 . ]" 1
618 1 40 VAL H 2 10 TYR QB 4.070 . 5.291 3.791 3.425 3.934 . 0 0 "[ . 1 . ]" 1
619 1 40 VAL H 2 10 TYR H 4.380 . 5.694 3.617 3.027 3.890 . 0 0 "[ . 1 . ]" 1
620 1 40 VAL H 2 11 TYR HA 3.350 . 4.355 3.076 2.703 3.678 . 0 0 "[ . 1 . ]" 1
621 1 40 VAL H 2 12 THR H 3.980 . 5.174 4.413 3.929 4.705 . 0 0 "[ . 1 . ]" 1
622 1 39 VAL H 1 40 VAL H 3.970 . 5.161 4.518 4.440 4.626 . 0 0 "[ . 1 . ]" 1
623 1 40 VAL H 1 41 GLU H 4.220 . 5.486 4.129 3.935 4.315 . 0 0 "[ . 1 . ]" 1
624 1 26 LYS H 1 41 GLU HA 4.600 . 5.980 5.411 5.053 5.612 . 0 0 "[ . 1 . ]" 1
625 1 41 GLU HA 1 42 LEU H 2.690 . 3.497 2.206 2.130 2.331 . 0 0 "[ . 1 . ]" 1
626 1 28 TRP HZ3 1 41 GLU QB 3.480 . 4.524 3.669 2.762 4.322 . 0 0 "[ . 1 . ]" 1
627 1 41 GLU QB 1 42 LEU H 3.760 . 4.888 3.501 2.719 4.055 . 0 0 "[ . 1 . ]" 1
628 1 28 TRP HZ3 1 41 GLU QG 3.080 . 4.004 2.701 1.944 3.560 . 0 0 "[ . 1 . ]" 1
629 1 41 GLU H 1 41 GLU QG 3.110 . 4.043 2.847 2.074 4.093 0.050 11 0 "[ . 1 . ]" 1
630 1 24 TYR QE 1 41 GLU H 4.370 . 5.681 5.268 4.952 5.686 0.005 5 0 "[ . 1 . ]" 1
631 1 26 LYS QB 1 41 GLU H 4.020 . 5.226 3.611 2.931 5.202 . 0 0 "[ . 1 . ]" 1
632 1 26 LYS QD 1 41 GLU H 4.280 . 5.564 5.252 3.520 5.634 0.070 17 0 "[ . 1 . ]" 1
633 1 27 MET HA 1 41 GLU H 3.330 . 4.329 3.652 3.262 3.911 . 0 0 "[ . 1 . ]" 1
634 1 27 MET QB 1 41 GLU H 4.460 . 5.798 4.438 3.325 5.293 . 0 0 "[ . 1 . ]" 1
635 1 28 TRP HH2 1 41 GLU H 4.560 . 5.928 5.644 5.127 6.030 0.102 3 0 "[ . 1 . ]" 1
636 1 28 TRP HZ3 1 41 GLU H 3.870 . 5.031 4.709 4.213 5.055 0.024 11 0 "[ . 1 . ]" 1
637 1 26 LYS H 1 42 LEU HA 3.690 . 4.797 3.432 2.874 3.880 . 0 0 "[ . 1 . ]" 1
638 1 42 LEU HA 1 43 GLY H 2.570 . 3.341 2.238 2.179 2.329 . 0 0 "[ . 1 . ]" 1
639 1 42 LEU HA 1 66 ASN QD 3.750 . 4.875 3.139 2.601 3.831 . 0 0 "[ . 1 . ]" 1
640 1 42 LEU H 1 42 LEU QB 3.540 . 4.602 2.680 2.316 2.897 . 0 0 "[ . 1 . ]" 1
641 1 42 LEU H 1 42 LEU QD 3.690 . 4.797 2.853 2.235 3.428 . 0 0 "[ . 1 . ]" 1
642 1 42 LEU QD 1 43 GLY H 3.310 . 4.303 3.758 3.255 3.995 . 0 0 "[ . 1 . ]" 1
643 1 42 LEU QD 1 68 HIS H 2.930 . 3.809 3.444 2.563 3.841 0.032 6 0 "[ . 1 . ]" 1
644 1 42 LEU HG 2 10 TYR QD 4.150 . 5.395 4.018 3.628 4.665 . 0 0 "[ . 1 . ]" 1
645 1 25 ARG HE 1 42 LEU HG 3.700 . 4.810 4.676 2.968 4.949 0.139 17 0 "[ . 1 . ]" 1
646 1 41 GLU H 1 42 LEU HG 3.950 . 5.135 4.818 4.191 5.174 0.039 5 0 "[ . 1 . ]" 1
647 1 42 LEU H 1 42 LEU HG 3.400 . 4.420 2.352 1.863 2.987 . 0 0 "[ . 1 . ]" 1
648 1 24 TYR QE 1 42 LEU H 4.430 . 5.759 5.356 4.817 5.812 0.053 5 0 "[ . 1 . ]" 1
649 1 41 GLU QG 1 42 LEU H 3.800 . 4.940 4.351 3.483 4.732 . 0 0 "[ . 1 . ]" 1
650 1 41 GLU H 1 42 LEU H 4.450 . 5.785 4.050 3.596 4.469 . 0 0 "[ . 1 . ]" 1
651 1 5 THR HA 1 42 LEU H 3.980 . 5.174 3.797 3.390 4.229 . 0 0 "[ . 1 . ]" 1
652 1 6 THR HB 1 42 LEU H 4.210 . 5.473 4.097 3.610 4.732 . 0 0 "[ . 1 . ]" 1
653 1 6 THR H 1 42 LEU H 3.490 . 4.537 3.160 2.600 3.703 . 0 0 "[ . 1 . ]" 1
654 1 43 GLY QA 1 44 CYS H 2.620 . 3.406 2.246 2.203 2.272 . 0 0 "[ . 1 . ]" 1
655 1 24 TYR HA 1 43 GLY H 4.390 . 5.707 5.090 4.787 5.294 . 0 0 "[ . 1 . ]" 1
656 1 42 LEU QB 1 43 GLY H 3.370 . 4.381 3.001 2.631 3.398 . 0 0 "[ . 1 . ]" 1
657 1 42 LEU H 1 43 GLY H 4.270 . 5.551 4.513 4.173 4.634 . 0 0 "[ . 1 . ]" 1
658 1 43 GLY H 1 44 CYS H 3.860 . 5.018 4.377 4.239 4.444 . 0 0 "[ . 1 . ]" 1
659 1 43 GLY H 1 66 ASN QD 2.970 . 3.861 2.579 1.945 3.254 . 0 0 "[ . 1 . ]" 1
660 1 22 LEU H 1 44 CYS HA 4.120 . 5.356 4.824 3.863 5.394 0.038 19 0 "[ . 1 . ]" 1
661 1 44 CYS HA 1 45 ALA H 2.440 . 3.172 2.234 2.140 2.374 . 0 0 "[ . 1 . ]" 1
662 1 44 CYS H 1 44 CYS QB 2.880 . 3.744 2.477 2.292 2.648 . 0 0 "[ . 1 . ]" 1
663 1 44 CYS QB 1 45 ALA H 3.160 . 4.108 3.691 3.301 3.974 . 0 0 "[ . 1 . ]" 1
664 1 23 CYS HA 1 44 CYS H 4.360 . 5.668 4.779 4.488 5.076 . 0 0 "[ . 1 . ]" 1
665 1 44 CYS H 1 45 ALA H 3.940 . 5.122 4.326 3.974 4.616 . 0 0 "[ . 1 . ]" 1
666 1 45 ALA H 1 45 ALA HA 2.910 . 3.783 2.916 2.841 2.947 . 0 0 "[ . 1 . ]" 1
667 1 45 ALA HA 1 46 ALA H 2.320 . 3.016 2.542 2.351 2.627 . 0 0 "[ . 1 . ]" 1
668 1 45 ALA HA 1 47 THR H 3.230 . 4.199 4.216 4.020 4.308 0.109 17 0 "[ . 1 . ]" 1
669 1 45 ALA H 1 45 ALA MB 2.700 . 3.510 2.585 2.305 2.858 . 0 0 "[ . 1 . ]" 1
670 1 45 ALA MB 1 46 ALA H 2.610 . 3.393 2.163 1.965 2.445 . 0 0 "[ . 1 . ]" 1
671 1 45 ALA MB 1 47 THR H 2.710 . 3.523 2.660 2.323 2.964 . 0 0 "[ . 1 . ]" 1
672 1 45 ALA MB 1 48 CYS H 3.530 . 4.589 3.059 2.176 4.078 . 0 0 "[ . 1 . ]" 1
673 1 20 GLU QB 1 45 ALA H 4.550 . 5.915 4.238 2.760 5.625 . 0 0 "[ . 1 . ]" 1
674 1 20 GLU QG 1 45 ALA H 4.020 . 5.226 4.604 3.212 5.322 0.096 19 0 "[ . 1 . ]" 1
675 1 22 LEU HG 1 45 ALA H 4.620 . 6.006 5.414 3.445 6.019 0.013 17 0 "[ . 1 . ]" 1
676 1 45 ALA H 1 46 ALA HA 4.260 . 5.538 4.828 4.642 5.141 . 0 0 "[ . 1 . ]" 1
677 1 45 ALA H 1 47 THR H 4.550 . 5.915 5.616 5.321 5.933 0.018 17 0 "[ . 1 . ]" 1
678 1 45 ALA H 1 48 CYS H 4.470 . 5.811 5.824 5.447 5.991 0.180 2 0 "[ . 1 . ]" 1
679 1 46 ALA H 1 46 ALA HA 2.930 . 3.809 2.941 2.911 2.948 . 0 0 "[ . 1 . ]" 1
680 1 46 ALA HA 1 47 THR H 3.270 . 4.251 3.458 3.188 3.508 . 0 0 "[ . 1 . ]" 1
681 1 45 ALA H 1 46 ALA MB 4.370 . 5.681 5.298 4.971 5.524 . 0 0 "[ . 1 . ]" 1
682 1 46 ALA H 1 46 ALA MB 2.360 . 3.068 2.376 2.238 2.604 . 0 0 "[ . 1 . ]" 1
683 1 46 ALA MB 1 47 THR H 2.580 . 3.354 2.842 2.607 3.404 0.050 14 0 "[ . 1 . ]" 1
684 1 46 ALA MB 1 48 CYS H 4.220 . 5.486 4.953 4.446 5.506 0.020 6 0 "[ . 1 . ]" 1
685 1 20 GLU QG 1 46 ALA H 3.450 . 4.485 3.901 2.148 4.601 0.116 16 0 "[ . 1 . ]" 1
686 1 45 ALA H 1 46 ALA H 3.590 . 4.667 4.395 4.318 4.495 . 0 0 "[ . 1 . ]" 1
687 1 46 ALA H 1 47 THR HA 3.400 . 4.420 4.526 4.300 4.622 0.202 5 0 "[ . 1 . ]" 1
688 1 47 THR H 1 47 THR HA 2.690 . 3.497 2.884 2.827 2.929 . 0 0 "[ . 1 . ]" 1
689 1 47 THR HA 1 48 CYS H 2.170 . 2.821 2.491 2.172 2.755 . 0 0 "[ . 1 . ]" 1
690 1 47 THR H 1 47 THR HB 3.130 . 4.069 3.348 2.724 3.696 . 0 0 "[ . 1 . ]" 1
691 1 46 ALA H 1 47 THR MG 3.910 . 5.083 4.126 3.197 5.171 0.088 2 0 "[ . 1 . ]" 1
692 1 47 THR H 1 47 THR MG 3.060 . 3.978 2.841 2.178 3.842 . 0 0 "[ . 1 . ]" 1
693 1 47 THR MG 1 48 CYS H 2.860 . 3.718 3.811 3.726 3.982 0.264 7 0 "[ . 1 . ]" 1
694 1 46 ALA H 1 47 THR H 2.440 . 3.172 1.860 1.759 2.007 0.041 17 0 "[ . 1 . ]" 1
695 1 47 THR H 1 48 CYS H 3.520 . 4.576 2.943 2.251 3.575 . 0 0 "[ . 1 . ]" 1
696 1 48 CYS H 1 48 CYS HA 2.690 . 3.497 2.733 2.669 2.896 . 0 0 "[ . 1 . ]" 1
697 1 48 CYS H 1 48 CYS QB 2.430 . 3.159 2.363 2.055 2.801 . 0 0 "[ . 1 . ]" 1
698 1 22 LEU QB 1 48 CYS H 4.490 . 5.837 4.123 3.045 5.782 . 0 0 "[ . 1 . ]" 1
699 1 49 PRO HA 1 50 SER H 2.090 . 2.717 2.539 2.154 2.896 0.179 16 0 "[ . 1 . ]" 1
700 1 5 THR H 1 5 THR HA 2.570 . 3.341 2.839 2.797 2.930 . 0 0 "[ . 1 . ]" 1
701 1 5 THR H 1 5 THR HB 3.500 . 4.550 3.426 2.719 3.779 . 0 0 "[ . 1 . ]" 1
702 1 5 THR HB 1 6 THR H 3.450 . 4.485 3.653 3.398 4.191 . 0 0 "[ . 1 . ]" 1
703 1 5 THR MG 1 12 SER H 3.080 . 4.004 3.059 2.238 3.653 . 0 0 "[ . 1 . ]" 1
704 1 5 THR H 1 5 THR MG 2.700 . 3.510 2.444 1.861 3.091 . 0 0 "[ . 1 . ]" 1
705 1 5 THR MG 1 6 THR H 3.740 . 4.862 3.642 2.691 4.057 . 0 0 "[ . 1 . ]" 1
706 1 5 THR H 1 12 SER H 3.350 . 4.355 3.649 3.239 4.346 . 0 0 "[ . 1 . ]" 1
707 1 5 THR H 1 13 ALA HA 3.410 . 4.433 3.321 2.263 3.884 . 0 0 "[ . 1 . ]" 1
708 1 5 THR H 1 13 ALA MB 3.640 . 4.732 4.127 3.647 4.732 . 0 0 "[ . 1 . ]" 1
709 1 4 HIS QB 1 5 THR H 3.300 . 4.290 2.755 2.038 3.881 . 0 0 "[ . 1 . ]" 1
710 1 4 HIS H 1 5 THR H 4.210 . 5.473 4.347 3.626 4.566 . 0 0 "[ . 1 . ]" 1
711 1 5 THR H 1 42 LEU QB 4.070 . 5.291 3.606 2.979 4.307 . 0 0 "[ . 1 . ]" 1
712 1 5 THR H 1 42 LEU QD 3.710 . 4.823 3.510 2.417 4.729 . 0 0 "[ . 1 . ]" 1
713 1 5 THR H 1 6 THR HA 3.930 . 5.109 4.786 4.554 5.218 0.109 10 0 "[ . 1 . ]" 1
714 1 5 THR H 1 6 THR MG 4.370 . 5.681 4.413 3.866 5.122 . 0 0 "[ . 1 . ]" 1
715 1 5 THR H 1 66 ASN QB 4.550 . 5.915 6.003 5.950 6.088 0.173 12 0 "[ . 1 . ]" 1
716 1 50 SER H 1 50 SER HA 2.660 . 3.458 2.854 2.745 2.910 . 0 0 "[ . 1 . ]" 1
717 1 50 SER HA 1 51 LYS H 2.110 . 2.743 2.400 2.139 2.814 0.071 5 0 "[ . 1 . ]" 1
718 1 50 SER H 1 50 SER QB 2.600 . 3.380 2.587 2.461 2.808 . 0 0 "[ . 1 . ]" 1
719 1 50 SER QB 1 51 LYS H 2.950 . 3.835 3.210 2.032 3.893 0.058 19 0 "[ . 1 . ]" 1
720 1 51 LYS H 1 51 LYS HA 2.720 . 3.536 2.888 2.691 2.918 . 0 0 "[ . 1 . ]" 1
721 1 51 LYS HA 1 52 LYS H 2.410 . 3.133 2.655 2.110 3.394 0.261 7 0 "[ . 1 . ]" 1
722 1 51 LYS H 1 51 LYS QB 2.970 . 3.861 2.770 2.231 3.057 . 0 0 "[ . 1 . ]" 1
723 1 51 LYS QB 1 52 LYS H 3.200 . 4.160 3.314 1.768 4.036 0.032 7 0 "[ . 1 . ]" 1
724 1 51 LYS QB 1 54 TYR H 4.420 . 5.746 5.370 4.092 5.953 0.207 7 0 "[ . 1 . ]" 1
725 1 51 LYS H 1 51 LYS QD 2.890 . 3.757 2.688 1.915 3.880 0.123 9 0 "[ . 1 . ]" 1
726 1 51 LYS QD 1 52 LYS H 3.900 . 5.070 4.247 1.793 5.150 0.080 13 0 "[ . 1 . ]" 1
727 1 51 LYS H 1 51 LYS QG 2.860 . 3.718 2.191 1.709 3.526 0.091 4 0 "[ . 1 . ]" 1
728 1 51 LYS QG 1 52 LYS H 3.740 . 4.862 3.795 2.272 4.604 . 0 0 "[ . 1 . ]" 1
729 1 52 LYS H 1 52 LYS QB 3.280 . 4.264 2.292 2.074 2.663 . 0 0 "[ . 1 . ]" 1
730 1 52 LYS H 1 52 LYS QG 3.380 . 4.394 3.390 1.855 4.097 . 0 0 "[ . 1 . ]" 1
731 1 52 LYS H 1 55 GLU H 4.300 . 5.590 4.844 3.593 5.653 0.063 7 0 "[ . 1 . ]" 1
732 1 54 TYR H 1 54 TYR HA 2.820 . 3.666 2.804 2.266 2.946 . 0 0 "[ . 1 . ]" 1
733 1 54 TYR HA 1 55 GLU H 4.050 . 5.265 3.418 2.693 3.570 . 0 0 "[ . 1 . ]" 1
734 1 54 TYR QB 1 55 GLU H 4.020 . 5.226 2.942 2.093 4.012 . 0 0 "[ . 1 . ]" 1
735 1 28 TRP HA 1 54 TYR QD 3.740 . 4.862 4.702 3.679 5.007 0.145 14 0 "[ . 1 . ]" 1
736 1 28 TRP QB 1 54 TYR QD 3.090 . 4.017 3.550 2.824 4.067 0.050 4 0 "[ . 1 . ]" 1
737 1 29 CYS H 1 54 TYR QD 4.180 . 5.434 4.498 3.707 5.266 . 0 0 "[ . 1 . ]" 1
738 1 52 LYS QE 1 54 TYR QD 3.970 . 5.161 4.956 3.299 5.287 0.126 5 0 "[ . 1 . ]" 1
739 1 54 TYR HA 1 54 TYR QD 2.650 . 3.445 2.996 2.440 3.630 0.185 6 0 "[ . 1 . ]" 1
740 1 54 TYR QB 1 54 TYR QD 2.560 . 3.328 2.158 2.127 2.226 . 0 0 "[ . 1 . ]" 1
741 1 54 TYR H 1 54 TYR QD 3.570 . 4.641 4.161 2.313 4.632 . 0 0 "[ . 1 . ]" 1
742 1 54 TYR QD 1 55 GLU HA 3.700 . 4.810 3.647 2.784 4.414 . 0 0 "[ . 1 . ]" 1
743 1 54 TYR QD 1 55 GLU QB 3.550 . 4.615 4.357 3.674 4.757 0.142 11 0 "[ . 1 . ]" 1
744 1 54 TYR QD 1 55 GLU QG 3.580 . 4.654 2.811 1.920 3.929 . 0 0 "[ . 1 . ]" 1
745 1 54 TYR H 1 54 TYR QB 3.010 . 3.913 2.941 2.473 3.477 . 0 0 "[ . 1 . ]" 1
746 1 54 TYR H 1 55 GLU QG 3.220 . 4.186 3.963 2.930 4.254 0.068 11 0 "[ . 1 . ]" 1
747 1 54 TYR H 1 55 GLU H 3.290 . 4.277 2.046 1.704 2.671 0.096 3 0 "[ . 1 . ]" 1
748 1 29 CYS H 1 55 GLU QB 4.430 . 5.759 5.192 4.623 5.781 0.022 6 0 "[ . 1 . ]" 1
749 1 54 TYR H 1 55 GLU QB 4.630 . 6.019 4.368 3.801 5.205 . 0 0 "[ . 1 . ]" 1
750 1 55 GLU H 1 55 GLU QB 2.990 . 3.887 2.693 2.432 2.879 . 0 0 "[ . 1 . ]" 1
751 1 55 GLU QB 1 56 GLU H 3.260 . 4.238 2.659 2.061 3.384 . 0 0 "[ . 1 . ]" 1
752 1 55 GLU H 1 55 GLU QG 3.690 . 4.797 2.546 2.051 2.983 . 0 0 "[ . 1 . ]" 1
753 1 51 LYS HA 1 55 GLU H 4.410 . 5.733 5.380 3.913 5.934 0.201 4 0 "[ . 1 . ]" 1
754 1 52 LYS HA 1 55 GLU H 4.510 . 5.863 4.274 3.464 5.672 . 0 0 "[ . 1 . ]" 1
755 1 52 LYS QB 1 55 GLU H 4.210 . 5.473 4.665 2.138 5.600 0.127 3 0 "[ . 1 . ]" 1
756 1 52 LYS QE 1 55 GLU H 3.900 . 5.070 4.233 3.000 5.099 0.029 14 0 "[ . 1 . ]" 1
757 1 52 LYS QG 1 55 GLU H 4.350 . 5.655 4.669 1.957 5.741 0.086 11 0 "[ . 1 . ]" 1
758 1 54 TYR QD 1 55 GLU H 3.800 . 4.940 3.847 3.081 4.613 . 0 0 "[ . 1 . ]" 1
759 1 55 GLU H 1 56 GLU H 3.960 . 5.148 4.470 4.260 4.603 . 0 0 "[ . 1 . ]" 1
760 1 55 GLU H 1 57 VAL QG 4.440 . 5.772 5.246 4.156 5.830 0.058 4 0 "[ . 1 . ]" 1
761 1 56 GLU H 1 56 GLU HA 2.980 . 3.874 2.920 2.838 2.948 . 0 0 "[ . 1 . ]" 1
762 1 56 GLU HA 1 57 VAL H 2.220 . 2.886 2.195 2.107 2.344 . 0 0 "[ . 1 . ]" 1
763 1 56 GLU H 1 56 GLU QB 2.940 . 3.822 2.395 2.166 2.655 . 0 0 "[ . 1 . ]" 1
764 1 56 GLU QB 1 57 VAL H 3.300 . 4.290 3.770 3.217 4.012 . 0 0 "[ . 1 . ]" 1
765 1 56 GLU H 1 56 GLU QG 3.920 . 5.096 4.089 3.943 4.199 . 0 0 "[ . 1 . ]" 1
766 1 56 GLU QG 1 57 VAL H 3.970 . 5.161 3.080 1.961 3.802 . 0 0 "[ . 1 . ]" 1
767 1 27 MET H 1 56 GLU H 3.190 . 4.147 3.364 2.955 3.635 . 0 0 "[ . 1 . ]" 1
768 1 28 TRP HA 1 56 GLU H 2.770 . 3.601 3.450 3.102 3.661 0.060 16 0 "[ . 1 . ]" 1
769 1 28 TRP QB 1 56 GLU H 3.670 . 4.771 3.987 3.255 4.430 . 0 0 "[ . 1 . ]" 1
770 1 55 GLU HA 1 56 GLU H 2.500 . 3.250 2.333 2.132 2.664 . 0 0 "[ . 1 . ]" 1
771 1 57 VAL HA 1 58 THR H 2.370 . 3.081 2.191 2.133 2.347 . 0 0 "[ . 1 . ]" 1
772 1 57 VAL HB 1 58 THR H 3.610 . 4.693 4.110 2.467 4.598 . 0 0 "[ . 1 . ]" 1
773 1 27 MET H 1 57 VAL QG 3.720 . 4.836 4.050 2.461 4.768 . 0 0 "[ . 1 . ]" 1
774 1 57 VAL H 1 57 VAL QG 2.950 . 3.835 2.100 1.896 2.432 . 0 0 "[ . 1 . ]" 1
775 1 57 VAL QG 1 58 THR H 2.880 . 3.744 2.858 2.037 3.441 . 0 0 "[ . 1 . ]" 1
776 1 57 VAL QG 1 59 CYS H 3.810 . 4.953 4.061 3.153 4.816 . 0 0 "[ . 1 . ]" 1
777 1 56 GLU H 1 57 VAL H 3.860 . 5.018 4.275 3.783 4.626 . 0 0 "[ . 1 . ]" 1
778 1 57 VAL H 1 58 THR H 3.730 . 4.849 4.149 3.216 4.466 . 0 0 "[ . 1 . ]" 1
779 1 25 ARG H 1 58 THR HA 4.120 . 5.356 4.351 3.991 4.749 . 0 0 "[ . 1 . ]" 1
780 1 58 THR HA 1 59 CYS H 2.210 . 2.873 2.248 2.137 2.467 . 0 0 "[ . 1 . ]" 1
781 1 58 THR H 1 58 THR HB 3.040 . 3.952 2.929 2.601 3.228 . 0 0 "[ . 1 . ]" 1
782 1 58 THR HB 1 59 CYS H 3.120 . 4.056 3.737 3.048 4.153 0.097 10 0 "[ . 1 . ]" 1
783 1 58 THR H 1 58 THR MG 3.320 . 4.316 3.794 3.565 3.991 . 0 0 "[ . 1 . ]" 1
784 1 58 THR MG 1 59 CYS H 2.950 . 3.835 2.696 1.933 3.732 . 0 0 "[ . 1 . ]" 1
785 1 24 TYR QB 1 58 THR H 4.060 . 5.278 4.154 3.482 4.737 . 0 0 "[ . 1 . ]" 1
786 1 24 TYR QD 1 58 THR H 4.200 . 5.460 4.876 3.971 5.478 0.018 4 0 "[ . 1 . ]" 1
787 1 25 ARG H 1 58 THR H 3.250 . 4.225 2.503 2.021 3.236 . 0 0 "[ . 1 . ]" 1
788 1 25 ARG H 1 59 CYS HA 3.340 . 4.342 3.817 3.359 4.169 . 0 0 "[ . 1 . ]" 1
789 1 59 CYS HA 1 60 CYS H 2.390 . 3.107 2.149 2.092 2.251 . 0 0 "[ . 1 . ]" 1
790 1 59 CYS H 1 59 CYS QB 3.140 . 3.705 2.551 2.191 2.857 . 0 0 "[ . 1 . ]" 1
791 1 6 THR HA 2 10 TYR QD 3.190 . 4.147 3.544 3.269 3.696 . 0 0 "[ . 1 . ]" 1
792 1 6 THR HA 1 7 ALA H 3.340 . 4.342 2.344 2.217 3.591 . 0 0 "[ . 1 . ]" 1
793 1 6 THR H 1 6 THR HB 2.590 . 3.367 3.627 3.333 3.724 0.357 9 0 "[ . 1 . ]" 1
794 1 6 THR MG 2 10 TYR QE 3.600 . 4.680 2.723 2.210 4.346 . 0 0 "[ . 1 . ]" 1
795 1 6 THR MG 1 42 LEU H 3.090 . 4.017 2.202 1.809 3.107 . 0 0 "[ . 1 . ]" 1
796 1 6 THR H 1 6 THR MG 3.380 . 4.394 2.523 1.873 3.194 . 0 0 "[ . 1 . ]" 1
797 1 6 THR MG 1 7 ALA H 4.120 . 5.356 4.261 3.399 4.436 . 0 0 "[ . 1 . ]" 1
798 1 6 THR MG 1 8 THR H 4.590 . 5.967 6.067 5.668 6.232 0.265 2 0 "[ . 1 . ]" 1
799 1 6 THR H 1 41 GLU HA 4.230 . 5.499 4.584 4.097 4.943 . 0 0 "[ . 1 . ]" 1
800 1 6 THR H 1 42 LEU HA 4.300 . 5.590 4.988 4.270 5.608 0.018 2 0 "[ . 1 . ]" 1
801 1 6 THR H 1 42 LEU QB 3.680 . 4.784 2.924 1.882 3.677 . 0 0 "[ . 1 . ]" 1
802 1 6 THR H 1 42 LEU HG 3.350 . 4.355 4.044 2.794 4.393 0.038 12 0 "[ . 1 . ]" 1
803 1 5 THR H 1 6 THR H 3.930 . 5.109 4.350 4.212 4.540 . 0 0 "[ . 1 . ]" 1
804 1 6 THR H 1 7 ALA H 2.940 . 3.822 3.903 2.811 4.037 0.215 11 0 "[ . 1 . ]" 1
805 1 60 CYS H 1 60 CYS HA 2.870 . 3.731 2.928 2.916 2.946 . 0 0 "[ . 1 . ]" 1
806 1 60 CYS HA 1 61 SER H 2.320 . 3.016 2.320 2.141 2.815 . 0 0 "[ . 1 . ]" 1
807 1 60 CYS HA 1 62 THR H 3.520 . 4.576 4.622 4.525 4.724 0.148 9 0 "[ . 1 . ]" 1
808 1 60 CYS H 1 60 CYS QB 3.470 . 4.511 3.086 2.984 3.188 . 0 0 "[ . 1 . ]" 1
809 1 60 CYS QB 1 61 SER H 2.740 . 3.562 2.825 1.952 3.352 . 0 0 "[ . 1 . ]" 1
810 1 60 CYS QB 1 62 THR H 3.470 . 4.511 3.416 2.793 3.863 . 0 0 "[ . 1 . ]" 1
811 1 22 LEU HA 1 60 CYS H 3.640 . 4.732 4.520 3.888 4.870 0.138 7 0 "[ . 1 . ]" 1
812 1 22 LEU QB 1 60 CYS H 4.090 . 5.317 3.925 2.101 5.021 . 0 0 "[ . 1 . ]" 1
813 1 23 CYS H 1 60 CYS H 2.930 . 3.809 3.048 1.980 3.596 . 0 0 "[ . 1 . ]" 1
814 1 24 TYR QB 1 60 CYS H 4.280 . 5.564 4.490 4.127 4.791 . 0 0 "[ . 1 . ]" 1
815 1 24 TYR QD 1 60 CYS H 4.560 . 5.928 5.884 5.654 5.983 0.055 8 0 "[ . 1 . ]" 1
816 1 58 THR MG 1 60 CYS H 4.030 . 5.239 4.979 4.423 5.255 0.016 10 0 "[ . 1 . ]" 1
817 1 59 CYS QB 1 60 CYS H 2.920 . 3.796 3.260 2.970 3.583 . 0 0 "[ . 1 . ]" 1
818 1 60 CYS H 1 61 SER HA 4.160 . 5.408 4.674 4.541 4.884 . 0 0 "[ . 1 . ]" 1
819 1 61 SER H 1 61 SER HA 2.810 . 3.653 2.932 2.895 2.950 . 0 0 "[ . 1 . ]" 1
820 1 61 SER H 1 61 SER QB 3.190 . 4.147 2.770 2.366 3.069 . 0 0 "[ . 1 . ]" 1
821 1 22 LEU HG 1 61 SER H 4.040 . 5.252 4.265 3.489 5.506 0.254 19 0 "[ . 1 . ]" 1
822 1 60 CYS H 1 61 SER H 3.850 . 5.005 4.322 4.131 4.488 . 0 0 "[ . 1 . ]" 1
823 1 61 SER H 1 62 THR HA 4.270 . 5.551 5.004 4.484 5.382 . 0 0 "[ . 1 . ]" 1
824 1 62 THR H 1 62 THR HA 2.860 . 3.718 2.926 2.906 2.943 . 0 0 "[ . 1 . ]" 1
825 1 62 THR HA 1 63 ASP H 2.110 . 2.743 2.286 2.214 2.354 . 0 0 "[ . 1 . ]" 1
826 1 62 THR H 1 62 THR HB 3.410 . 4.433 3.746 3.620 3.863 . 0 0 "[ . 1 . ]" 1
827 1 62 THR H 1 62 THR HG1 2.930 . 3.809 2.566 1.955 3.214 . 0 0 "[ . 1 . ]" 1
828 1 62 THR HG1 1 65 CYS H 4.300 . 5.590 4.292 3.252 4.837 . 0 0 "[ . 1 . ]" 1
829 1 1 ILE MD 1 62 THR H 4.460 . 5.798 4.195 3.065 5.814 0.016 10 0 "[ . 1 . ]" 1
830 1 1 ILE QG 1 62 THR H 4.410 . 5.733 4.041 3.331 4.882 . 0 0 "[ . 1 . ]" 1
831 1 61 SER HA 1 62 THR H 2.880 . 3.744 2.687 2.522 3.181 . 0 0 "[ . 1 . ]" 1
832 1 61 SER QB 1 62 THR H 3.860 . 5.018 4.002 3.912 4.079 . 0 0 "[ . 1 . ]" 1
833 1 61 SER H 1 62 THR H 2.760 . 3.588 3.161 1.948 3.649 0.061 16 0 "[ . 1 . ]" 1
834 1 62 THR H 1 63 ASP H 3.590 . 4.667 4.418 4.324 4.567 . 0 0 "[ . 1 . ]" 1
835 1 62 THR H 1 65 CYS HA 3.880 . 5.044 5.187 4.946 5.315 0.271 19 0 "[ . 1 . ]" 1
836 1 62 THR H 1 65 CYS H 4.080 . 5.304 3.969 3.627 4.261 . 0 0 "[ . 1 . ]" 1
837 1 63 ASP H 1 63 ASP HA 2.700 . 3.510 2.693 2.671 2.753 . 0 0 "[ . 1 . ]" 1
838 1 63 ASP HA 1 64 LYS H 2.390 . 3.107 2.100 2.078 2.120 . 0 0 "[ . 1 . ]" 1
839 1 63 ASP HA 1 65 CYS H 3.210 . 4.173 4.025 3.558 4.251 0.078 7 0 "[ . 1 . ]" 1
840 1 63 ASP H 1 63 ASP QB 2.550 . 3.315 2.563 2.371 2.709 . 0 0 "[ . 1 . ]" 1
841 1 63 ASP QB 1 64 LYS H 3.620 . 4.368 3.281 3.006 3.498 . 0 0 "[ . 1 . ]" 1
842 1 1 ILE MD 1 63 ASP H 3.230 . 4.199 4.058 3.146 4.244 0.045 2 0 "[ . 1 . ]" 1
843 1 2 VAL HB 1 63 ASP H 3.370 . 4.381 4.555 4.498 4.609 0.228 19 0 "[ . 1 . ]" 1
844 1 62 THR HG1 1 63 ASP H 2.720 . 3.536 3.235 2.543 3.494 . 0 0 "[ . 1 . ]" 1
845 1 63 ASP H 1 64 LYS H 3.560 . 4.628 4.434 4.315 4.529 . 0 0 "[ . 1 . ]" 1
846 1 64 LYS H 1 64 LYS HA 2.590 . 3.367 2.303 2.285 2.328 . 0 0 "[ . 1 . ]" 1
847 1 64 LYS HA 1 65 CYS H 2.860 . 3.718 2.697 2.519 2.968 . 0 0 "[ . 1 . ]" 1
848 1 64 LYS HA 1 66 ASN H 3.490 . 4.537 3.113 2.901 3.280 . 0 0 "[ . 1 . ]" 1
849 1 64 LYS H 1 64 LYS QB 3.300 . 4.290 3.144 2.780 3.447 . 0 0 "[ . 1 . ]" 1
850 1 64 LYS QB 1 65 CYS H 4.070 . 5.083 3.909 3.768 4.009 . 0 0 "[ . 1 . ]" 1
851 1 64 LYS H 1 64 LYS QD 3.800 . 4.940 3.491 2.630 4.681 . 0 0 "[ . 1 . ]" 1
852 1 64 LYS QD 1 65 CYS H 4.030 . 5.239 4.867 4.115 5.378 0.139 8 0 "[ . 1 . ]" 1
853 1 64 LYS H 1 64 LYS QE 3.770 . 4.901 4.779 3.991 5.093 0.192 7 0 "[ . 1 . ]" 1
854 1 64 LYS H 1 64 LYS QG 3.450 . 4.485 2.844 2.151 4.254 . 0 0 "[ . 1 . ]" 1
855 1 64 LYS QG 1 65 CYS H 4.130 . 5.369 4.437 4.001 4.730 . 0 0 "[ . 1 . ]" 1
856 1 2 VAL HB 1 64 LYS H 3.500 . 4.550 2.289 1.963 2.738 . 0 0 "[ . 1 . ]" 1
857 1 64 LYS H 1 65 CYS HA 4.440 . 5.772 5.341 5.168 5.432 . 0 0 "[ . 1 . ]" 1
858 1 65 CYS H 1 65 CYS HA 2.580 . 3.354 2.883 2.841 2.904 . 0 0 "[ . 1 . ]" 1
859 1 65 CYS HA 1 66 ASN H 3.330 . 4.329 3.285 3.136 3.383 . 0 0 "[ . 1 . ]" 1
860 1 62 THR H 1 65 CYS QB 3.240 . 4.212 2.803 2.451 3.082 . 0 0 "[ . 1 . ]" 1
861 1 64 LYS H 1 65 CYS QB 4.600 . 5.980 4.841 4.557 5.051 . 0 0 "[ . 1 . ]" 1
862 1 65 CYS H 1 65 CYS QB 2.660 . 3.458 2.586 2.488 2.700 . 0 0 "[ . 1 . ]" 1
863 1 65 CYS QB 1 66 ASN H 4.250 . 5.304 3.914 3.821 4.018 . 0 0 "[ . 1 . ]" 1
864 1 2 VAL HB 1 65 CYS H 4.200 . 5.460 5.137 4.829 5.484 0.024 7 0 "[ . 1 . ]" 1
865 1 2 VAL QG 1 65 CYS H 4.400 . 5.720 4.864 4.518 5.370 . 0 0 "[ . 1 . ]" 1
866 1 23 CYS QB 1 65 CYS H 4.280 . 5.564 3.403 2.896 3.872 . 0 0 "[ . 1 . ]" 1
867 1 4 HIS HD1 1 65 CYS H 3.830 . 4.979 4.864 3.753 5.101 0.122 12 0 "[ . 1 . ]" 1
868 1 4 HIS H 1 65 CYS H 4.440 . 5.772 4.085 3.438 4.535 . 0 0 "[ . 1 . ]" 1
869 1 62 THR HA 1 65 CYS H 4.480 . 5.824 5.292 5.071 5.494 . 0 0 "[ . 1 . ]" 1
870 1 62 THR HB 1 65 CYS H 4.280 . 5.564 5.157 4.487 5.721 0.157 8 0 "[ . 1 . ]" 1
871 1 63 ASP QB 1 65 CYS H 4.430 . 5.759 4.891 4.517 5.089 . 0 0 "[ . 1 . ]" 1
872 1 64 LYS H 1 65 CYS H 2.980 . 3.874 2.988 2.666 3.164 . 0 0 "[ . 1 . ]" 1
873 1 65 CYS H 1 66 ASN H 2.930 . 3.809 2.622 2.432 2.813 . 0 0 "[ . 1 . ]" 1
874 1 65 CYS H 1 66 ASN HA 3.940 . 5.122 5.068 4.951 5.177 0.055 8 0 "[ . 1 . ]" 1
875 1 66 ASN H 1 66 ASN QB 3.270 . 4.251 2.938 2.545 3.096 . 0 0 "[ . 1 . ]" 1
876 1 23 CYS QB 1 66 ASN QD 3.630 . 4.719 2.886 1.839 3.509 . 0 0 "[ . 1 . ]" 1
877 1 24 TYR H 1 66 ASN QD 3.490 . 4.537 4.038 3.077 4.581 0.044 7 0 "[ . 1 . ]" 1
878 1 25 ARG HA 1 66 ASN QD 4.380 . 5.694 4.622 4.180 5.313 . 0 0 "[ . 1 . ]" 1
879 1 3 CYS QB 1 66 ASN QD 3.170 . 4.121 3.819 3.262 4.303 0.182 12 0 "[ . 1 . ]" 1
880 1 42 LEU QB 1 66 ASN QD 3.470 . 4.511 1.896 1.785 2.267 0.015 6 0 "[ . 1 . ]" 1
881 1 42 LEU QD 1 66 ASN QD 4.340 . 5.642 2.832 1.929 3.166 . 0 0 "[ . 1 . ]" 1
882 1 42 LEU HG 1 66 ASN QD 3.390 . 4.407 4.485 4.252 4.622 0.215 16 0 "[ . 1 . ]" 1
883 1 43 GLY QA 1 66 ASN QD 4.240 . 5.512 3.442 2.902 4.026 . 0 0 "[ . 1 . ]" 1
884 1 66 ASN HA 1 66 ASN QD 3.690 . 4.797 4.287 3.743 4.359 . 0 0 "[ . 1 . ]" 1
885 1 4 HIS QB 1 66 ASN H 4.270 . 5.551 2.974 2.366 3.449 . 0 0 "[ . 1 . ]" 1
886 1 4 HIS H 1 66 ASN H 3.920 . 5.096 3.205 2.578 3.642 . 0 0 "[ . 1 . ]" 1
887 1 64 LYS QD 1 66 ASN H 4.480 . 5.824 5.496 4.203 6.013 0.189 11 0 "[ . 1 . ]" 1
888 1 64 LYS H 1 66 ASN H 4.070 . 5.291 4.793 4.436 5.095 . 0 0 "[ . 1 . ]" 1
889 1 66 ASN H 1 67 PRO QB 3.550 . 4.615 4.759 4.689 4.856 0.241 12 0 "[ . 1 . ]" 1
890 1 66 ASN H 1 67 PRO QD 4.310 . 5.603 3.124 1.834 3.638 . 0 0 "[ . 1 . ]" 1
891 1 66 ASN H 1 67 PRO QG 4.500 . 5.850 4.956 3.817 5.251 . 0 0 "[ . 1 . ]" 1
892 1 68 HIS H 1 68 HIS HA 3.000 . 3.900 2.885 2.746 2.945 . 0 0 "[ . 1 . ]" 1
893 1 68 HIS HA 1 70 LYS H 4.250 . 5.525 4.736 4.275 4.958 . 0 0 "[ . 1 . ]" 1
894 1 68 HIS H 1 68 HIS QB 2.680 . 3.484 2.322 2.087 2.962 . 0 0 "[ . 1 . ]" 1
895 1 11 ILE QG 1 68 HIS HD1 2.470 . 3.211 3.173 2.672 3.376 0.165 11 0 "[ . 1 . ]" 1
896 1 68 HIS HD1 2 10 TYR HA 4.210 . 5.473 5.589 5.488 5.698 0.225 18 0 "[ . 1 . ]" 1
897 1 68 HIS HD1 2 12 THR HB 4.090 . 5.317 4.556 3.285 5.304 . 0 0 "[ . 1 . ]" 1
898 1 40 VAL HB 1 68 HIS HD1 3.170 . 4.121 4.070 3.767 4.199 0.078 5 0 "[ . 1 . ]" 1
899 1 40 VAL QG 1 68 HIS HD1 2.700 . 3.510 2.719 2.231 3.237 . 0 0 "[ . 1 . ]" 1
900 1 42 LEU QD 1 68 HIS HD1 3.930 . 5.109 2.407 1.795 3.541 0.005 2 0 "[ . 1 . ]" 1
901 1 42 LEU HG 1 68 HIS HD1 3.260 . 4.238 3.863 3.321 4.464 0.226 17 0 "[ . 1 . ]" 1
902 1 68 HIS HA 1 68 HIS HD1 3.270 . 4.251 3.166 2.520 3.975 . 0 0 "[ . 1 . ]" 1
903 1 68 HIS QB 1 68 HIS HD1 2.740 . 3.562 2.355 2.295 2.423 . 0 0 "[ . 1 . ]" 1
904 1 68 HIS H 1 68 HIS HD1 3.730 . 4.849 3.501 2.013 4.150 . 0 0 "[ . 1 . ]" 1
905 1 68 HIS HD1 1 69 PRO QB 3.810 . 4.953 4.818 4.310 5.140 0.187 1 0 "[ . 1 . ]" 1
906 1 68 HIS HD1 1 70 LYS QE 4.590 . 5.967 4.989 1.952 6.100 0.133 8 0 "[ . 1 . ]" 1
907 1 68 HIS HD1 1 71 GLN QG 4.450 . 5.785 3.278 2.151 4.895 . 0 0 "[ . 1 . ]" 1
908 1 68 HIS HE1 2 12 THR MG 4.630 . 6.019 4.966 3.344 6.205 0.186 9 0 "[ . 1 . ]" 1
909 1 40 VAL HB 1 68 HIS HE1 4.520 . 5.876 2.994 1.975 5.366 . 0 0 "[ . 1 . ]" 1
910 1 42 LEU QD 1 68 HIS HE1 3.760 . 4.888 4.061 2.831 4.998 0.110 8 0 "[ . 1 . ]" 1
911 1 6 THR MG 1 68 HIS HE1 3.410 . 4.433 3.900 2.276 4.571 0.138 7 0 "[ . 1 . ]" 1
912 1 4 HIS QB 1 68 HIS H 4.360 . 5.668 5.300 4.434 5.742 0.074 16 0 "[ . 1 . ]" 1
913 1 4 HIS HD1 1 68 HIS H 3.850 . 5.005 5.075 5.032 5.127 0.122 12 0 "[ . 1 . ]" 1
914 1 67 PRO HA 1 68 HIS H 2.450 . 3.185 2.509 2.250 3.083 . 0 0 "[ . 1 . ]" 1
915 1 67 PRO QB 1 68 HIS H 4.480 . 5.824 2.489 1.720 3.127 0.080 17 0 "[ . 1 . ]" 1
916 1 67 PRO QG 1 68 HIS H 3.060 . 3.978 3.792 2.736 4.277 0.299 12 0 "[ . 1 . ]" 1
917 1 68 HIS H 1 72 ARG QB 3.500 . 4.550 3.848 1.940 4.612 0.062 17 0 "[ . 1 . ]" 1
918 1 69 PRO HA 1 70 LYS H 3.400 . 4.420 3.573 3.551 3.606 . 0 0 "[ . 1 . ]" 1
919 1 69 PRO QB 1 70 LYS H 4.140 . 5.382 2.453 1.923 3.063 . 0 0 "[ . 1 . ]" 1
920 1 69 PRO QD 1 70 LYS H 4.020 . 5.226 2.706 1.884 3.918 . 0 0 "[ . 1 . ]" 1
921 1 69 PRO QG 1 70 LYS H 3.650 . 4.745 2.484 1.834 3.709 . 0 0 "[ . 1 . ]" 1
922 1 7 ALA H 1 7 ALA HA 2.890 . 3.757 2.846 2.266 2.939 . 0 0 "[ . 1 . ]" 1
923 1 6 THR H 1 7 ALA MB 3.890 . 5.057 3.792 3.582 4.516 . 0 0 "[ . 1 . ]" 1
924 1 7 ALA H 1 7 ALA MB 2.480 . 3.224 2.766 2.549 2.971 . 0 0 "[ . 1 . ]" 1
925 1 7 ALA MB 1 8 THR H 3.070 . 3.991 2.684 2.435 3.133 . 0 0 "[ . 1 . ]" 1
926 1 6 THR HB 1 7 ALA H 4.600 . 5.980 3.958 3.687 4.385 . 0 0 "[ . 1 . ]" 1
927 1 7 ALA H 1 8 THR HB 4.610 . 5.993 5.293 4.754 6.240 0.247 2 0 "[ . 1 . ]" 1
928 1 70 LYS H 1 70 LYS HA 2.910 . 3.783 2.836 2.797 2.867 . 0 0 "[ . 1 . ]" 1
929 1 70 LYS HA 1 71 GLN H 2.940 . 3.822 3.504 3.448 3.528 . 0 0 "[ . 1 . ]" 1
930 1 70 LYS H 1 70 LYS QB 2.930 . 3.809 2.199 2.023 2.850 . 0 0 "[ . 1 . ]" 1
931 1 70 LYS QB 1 71 GLN H 3.570 . 4.641 2.698 2.219 3.215 . 0 0 "[ . 1 . ]" 1
932 1 70 LYS H 1 70 LYS QG 3.710 . 4.823 3.454 1.798 4.067 0.002 6 0 "[ . 1 . ]" 1
933 1 70 LYS QG 1 71 GLN H 4.180 . 5.434 4.034 3.003 4.688 . 0 0 "[ . 1 . ]" 1
934 1 68 HIS QB 1 70 LYS H 3.970 . 5.161 3.791 3.072 4.427 . 0 0 "[ . 1 . ]" 1
935 1 70 LYS H 1 71 GLN QG 3.930 . 5.109 4.568 3.497 5.130 0.021 14 0 "[ . 1 . ]" 1
936 1 71 GLN H 1 71 GLN HA 2.970 . 3.861 2.917 2.863 2.947 . 0 0 "[ . 1 . ]" 1
937 1 11 ILE MD 1 71 GLN QE 4.560 . 5.928 4.503 3.475 5.612 . 0 0 "[ . 1 . ]" 1
938 1 11 ILE QG 1 71 GLN QE 4.200 . 5.460 4.749 3.504 5.475 0.015 10 0 "[ . 1 . ]" 1
939 1 71 GLN H 1 71 GLN QG 2.530 . 3.289 2.716 1.807 3.308 0.019 4 0 "[ . 1 . ]" 1
940 1 71 GLN QG 1 72 ARG H 2.870 . 3.731 3.712 3.235 4.000 0.269 12 0 "[ . 1 . ]" 1
941 1 68 HIS HA 1 71 GLN H 4.380 . 5.694 4.768 4.471 5.413 . 0 0 "[ . 1 . ]" 1
942 1 68 HIS QB 1 71 GLN H 3.600 . 4.680 2.760 2.125 4.261 . 0 0 "[ . 1 . ]" 1
943 1 69 PRO HA 1 71 GLN H 3.620 . 4.706 4.669 4.362 4.852 0.146 2 0 "[ . 1 . ]" 1
944 1 70 LYS H 1 71 GLN H 2.630 . 3.419 2.572 2.438 2.919 . 0 0 "[ . 1 . ]" 1
945 1 71 GLN H 1 72 ARG H 3.630 . 4.719 3.983 2.003 4.590 . 0 0 "[ . 1 . ]" 1
946 1 72 ARG H 1 72 ARG HA 2.900 . 3.770 2.614 2.274 2.949 . 0 0 "[ . 1 . ]" 1
947 1 72 ARG H 1 72 ARG QB 3.120 . 4.056 3.064 2.092 3.499 . 0 0 "[ . 1 . ]" 1
948 1 72 ARG H 1 72 ARG HE 4.010 . 5.213 5.074 4.752 5.250 0.037 6 0 "[ . 1 . ]" 1
949 1 72 ARG H 1 72 ARG QG 2.830 . 3.679 3.449 2.465 4.008 0.329 8 0 "[ . 1 . ]" 1
950 1 71 GLN HA 1 72 ARG H 2.360 . 3.068 2.665 2.148 3.448 0.380 8 0 "[ . 1 . ]" 1
951 1 72 ARG H 1 74 GLY QA 4.160 . 5.408 4.945 4.082 5.553 0.145 7 0 "[ . 1 . ]" 1
952 1 74 GLY H 1 74 GLY QA 2.550 . 3.315 2.228 2.180 2.255 . 0 0 "[ . 1 . ]" 1
953 1 73 PRO HA 1 74 GLY H 2.360 . 3.068 2.673 2.166 3.345 0.277 4 0 "[ . 1 . ]" 1
954 1 8 THR H 1 8 THR HB 3.790 . 4.927 3.081 2.521 3.678 . 0 0 "[ . 1 . ]" 1
955 1 8 THR MG 2 8 TRP HD1 4.200 . 5.460 3.661 3.266 5.005 . 0 0 "[ . 1 . ]" 1
956 1 7 ALA H 1 8 THR MG 3.860 . 5.018 3.444 3.175 4.928 . 0 0 "[ . 1 . ]" 1
957 1 8 THR H 1 8 THR MG 2.850 . 3.705 1.870 1.752 2.042 0.048 16 0 "[ . 1 . ]" 1
958 1 7 ALA HA 1 8 THR H 3.220 . 4.186 3.521 2.040 3.636 . 0 0 "[ . 1 . ]" 1
959 1 9 SER H 1 9 SER HA 2.730 . 3.549 2.843 2.828 2.937 . 0 0 "[ . 1 . ]" 1
960 1 9 SER H 1 9 SER QB 3.300 . 4.290 2.497 2.189 2.814 . 0 0 "[ . 1 . ]" 1
961 1 9 SER H 2 8 TRP HD1 4.480 . 5.824 4.882 4.453 5.006 . 0 0 "[ . 1 . ]" 1
962 1 9 SER H 2 8 TRP HZ2 4.510 . 5.863 5.887 5.524 5.967 0.104 15 0 "[ . 1 . ]" 1
963 1 8 THR MG 1 9 SER H 3.330 . 4.329 2.786 2.205 3.577 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 212
_Distance_constraint_stats_list.Viol_count 508
_Distance_constraint_stats_list.Viol_total 863.499
_Distance_constraint_stats_list.Viol_max 0.397
_Distance_constraint_stats_list.Viol_rms 0.0399
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0113
_Distance_constraint_stats_list.Viol_average_violations_only 0.0895
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 VAL 0.475 0.054 19 0 "[ . 1 . ]"
1 3 CYS 1.414 0.212 19 0 "[ . 1 . ]"
1 4 HIS 0.163 0.132 2 0 "[ . 1 . ]"
1 5 THR 2.444 0.206 17 0 "[ . 1 . ]"
1 6 THR 5.719 0.272 3 0 "[ . 1 . ]"
1 7 ALA 0.863 0.139 3 0 "[ . 1 . ]"
1 8 THR 0.941 0.229 2 0 "[ . 1 . ]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 11 ILE 0.477 0.152 2 0 "[ . 1 . ]"
1 12 SER 3.386 0.363 2 0 "[ . 1 . ]"
1 13 ALA 0.074 0.074 2 0 "[ . 1 . ]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 15 THR 0.469 0.054 19 0 "[ . 1 . ]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 22 LEU 4.650 0.218 19 0 "[ . 1 . ]"
1 23 CYS 1.928 0.202 7 0 "[ . 1 . ]"
1 24 TYR 2.168 0.189 14 0 "[ . 1 . ]"
1 25 ARG 0.009 0.009 3 0 "[ . 1 . ]"
1 26 LYS 2.373 0.300 2 0 "[ . 1 . ]"
1 27 MET 2.844 0.300 2 0 "[ . 1 . ]"
1 28 TRP 0.938 0.174 2 0 "[ . 1 . ]"
1 29 CYS 6.626 0.397 18 0 "[ . 1 . ]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 33 CYS 2.826 0.397 18 0 "[ . 1 . ]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 38 LYS 0.007 0.007 19 0 "[ . 1 . ]"
1 39 VAL 3.440 0.281 15 0 "[ . 1 . ]"
1 40 VAL 1.016 0.161 8 0 "[ . 1 . ]"
1 41 GLU 1.107 0.173 16 0 "[ . 1 . ]"
1 42 LEU 2.480 0.206 17 0 "[ . 1 . ]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 44 CYS 0.003 0.003 19 0 "[ . 1 . ]"
1 45 ALA 0.003 0.003 19 0 "[ . 1 . ]"
1 46 ALA 0.797 0.163 1 0 "[ . 1 . ]"
1 47 THR 2.622 0.309 19 0 "[ . 1 . ]"
1 48 CYS 1.001 0.309 19 0 "[ . 1 . ]"
1 50 SER 0.027 0.006 16 0 "[ . 1 . ]"
1 51 LYS 1.665 0.347 19 0 "[ . 1 . ]"
1 54 TYR 0.367 0.135 19 0 "[ . 1 . ]"
1 55 GLU 0.495 0.135 19 0 "[ . 1 . ]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 57 VAL 2.258 0.347 19 0 "[ . 1 . ]"
1 58 THR 0.406 0.138 11 0 "[ . 1 . ]"
1 59 CYS 0.219 0.059 5 0 "[ . 1 . ]"
1 60 CYS 1.954 0.189 14 0 "[ . 1 . ]"
1 61 SER 3.297 0.218 19 0 "[ . 1 . ]"
1 62 THR 1.866 0.195 9 0 "[ . 1 . ]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 64 LYS 0.836 0.212 19 0 "[ . 1 . ]"
1 65 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 66 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 68 HIS 0.520 0.161 8 0 "[ . 1 . ]"
1 70 LYS 0.311 0.129 7 0 "[ . 1 . ]"
2 2 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 6 LYS 4.370 0.363 2 0 "[ . 1 . ]"
2 7 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 8 TRP 0.128 0.044 17 0 "[ . 1 . ]"
2 9 VAL 0.174 0.063 6 0 "[ . 1 . ]"
2 10 TYR 3.436 0.272 3 0 "[ . 1 . ]"
2 11 TYR 0.050 0.050 2 0 "[ . 1 . ]"
2 12 THR 0.808 0.367 8 0 "[ . 1 . ]"
2 14 CYS 3.441 0.325 2 0 "[ . 1 . ]"
2 15 PRO 4.052 0.325 2 0 "[ . 1 . ]"
2 16 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 17 THR 0.471 0.087 16 0 "[ . 1 . ]"
2 19 TYR 0.000 0.000 . 0 "[ . 1 . ]"
2 20 LEU 0.324 0.120 18 0 "[ . 1 . ]"
2 21 ASP 0.000 0.000 . 0 "[ . 1 . ]"
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 10 PRO HA 1 10 PRO QB 2.400 . 3.120 2.212 2.206 2.221 . 0 0 "[ . 1 . ]" 2
2 1 10 PRO HA 1 11 ILE QG 4.090 . 5.317 4.028 3.603 4.743 . 0 0 "[ . 1 . ]" 2
3 1 11 ILE HA 1 11 ILE QG 2.600 . 3.380 2.111 1.976 2.256 . 0 0 "[ . 1 . ]" 2
4 1 12 SER HA 1 12 SER QB 2.070 . 2.691 2.179 2.162 2.198 . 0 0 "[ . 1 . ]" 2
5 1 12 SER QB 2 6 LYS QB 3.370 . 4.381 4.552 4.440 4.744 0.363 2 0 "[ . 1 . ]" 2
6 1 12 SER QB 2 6 LYS QD 3.640 . 4.732 2.925 2.053 4.782 0.050 2 0 "[ . 1 . ]" 2
7 1 12 SER QB 2 6 LYS QG 3.310 . 4.303 3.355 2.726 4.386 0.083 2 0 "[ . 1 . ]" 2
8 1 13 ALA HA 1 13 ALA MB 2.210 . 2.873 2.104 2.085 2.129 . 0 0 "[ . 1 . ]" 2
9 1 13 ALA HA 1 14 VAL QG 2.890 . 3.757 3.396 3.230 3.545 . 0 0 "[ . 1 . ]" 2
10 1 5 THR MG 1 13 ALA HA 3.030 . 3.939 2.942 2.254 4.013 0.074 2 0 "[ . 1 . ]" 2
11 1 14 VAL HA 1 14 VAL HB 2.130 . 2.769 2.475 2.282 2.532 . 0 0 "[ . 1 . ]" 2
12 1 14 VAL HA 1 14 VAL QG 2.430 . 3.159 2.267 2.125 2.513 . 0 0 "[ . 1 . ]" 2
13 1 16 CYS HA 1 16 CYS QB 2.660 . 3.458 2.357 2.255 2.497 . 0 0 "[ . 1 . ]" 2
14 1 16 CYS HA 1 17 PRO QD 2.480 . 3.224 1.994 1.879 2.236 . 0 0 "[ . 1 . ]" 2
15 2 2 GLU HA 2 2 GLU QG 2.550 . 3.315 2.426 2.076 2.998 . 0 0 "[ . 1 . ]" 2
16 2 6 LYS HA 2 6 LYS QB 2.460 . 3.198 2.398 2.128 2.536 . 0 0 "[ . 1 . ]" 2
17 2 6 LYS HA 2 6 LYS QG 2.360 . 3.068 2.464 1.979 3.262 0.194 6 0 "[ . 1 . ]" 2
18 2 7 HIS HA 2 7 HIS QB 2.560 . 3.328 2.427 2.387 2.484 . 0 0 "[ . 1 . ]" 2
19 2 7 HIS HA 2 8 TRP HA 4.040 . 5.252 4.442 4.415 4.467 . 0 0 "[ . 1 . ]" 2
20 2 8 TRP HA 2 20 LEU HA 2.720 . 3.536 2.590 1.917 2.980 . 0 0 "[ . 1 . ]" 2
21 2 8 TRP HA 2 20 LEU HG 3.430 . 4.459 4.298 3.863 4.503 0.044 17 0 "[ . 1 . ]" 2
22 2 9 VAL HA 2 9 VAL QG 2.200 . 2.860 2.078 1.972 2.145 . 0 0 "[ . 1 . ]" 2
23 2 10 TYR HA 2 10 TYR QB 2.670 . 3.471 2.472 2.345 2.505 . 0 0 "[ . 1 . ]" 2
24 1 40 VAL QG 2 10 TYR QB 3.290 . 4.277 2.594 2.201 3.046 . 0 0 "[ . 1 . ]" 2
25 1 39 VAL HA 2 11 TYR HA 2.470 . 3.211 2.560 2.081 3.091 . 0 0 "[ . 1 . ]" 2
26 2 12 THR HA 2 12 THR HB 2.090 . 2.717 2.277 2.228 2.336 . 0 0 "[ . 1 . ]" 2
27 2 12 THR HA 2 12 THR MG 2.140 . 2.782 2.760 2.517 3.149 0.367 8 0 "[ . 1 . ]" 2
28 2 14 CYS HA 2 14 CYS QB 2.470 . 3.211 2.205 2.154 2.272 . 0 0 "[ . 1 . ]" 2
29 2 14 CYS HA 2 15 PRO QB 3.250 . 4.225 4.406 4.340 4.550 0.325 2 0 "[ . 1 . ]" 2
30 2 14 CYS HA 2 15 PRO QG 3.290 . 4.277 3.849 3.665 3.995 . 0 0 "[ . 1 . ]" 2
31 2 15 PRO HA 2 15 PRO QG 2.680 . 3.484 3.248 2.749 3.515 0.031 6 0 "[ . 1 . ]" 2
32 1 70 LYS QE 2 15 PRO HA 3.720 . 4.836 3.983 1.788 4.965 0.129 7 0 "[ . 1 . ]" 2
33 2 16 ASP HA 2 16 ASP QB 2.430 . 3.159 2.408 2.307 2.492 . 0 0 "[ . 1 . ]" 2
34 2 17 THR HA 2 17 THR MG 2.400 . 3.120 2.635 1.987 3.207 0.087 16 0 "[ . 1 . ]" 2
35 2 19 TYR HA 2 19 TYR QB 2.330 . 3.029 2.287 2.208 2.401 . 0 0 "[ . 1 . ]" 2
36 2 20 LEU HA 2 20 LEU HG 2.640 . 3.432 2.694 2.403 3.552 0.120 18 0 "[ . 1 . ]" 2
37 1 2 VAL HA 1 15 THR HA 2.130 . 2.769 2.159 1.923 2.764 . 0 0 "[ . 1 . ]" 2
38 1 2 VAL HA 1 15 THR HB 3.310 . 4.303 4.098 3.397 4.357 0.054 19 0 "[ . 1 . ]" 2
39 1 2 VAL HA 1 2 VAL HB 2.690 . 3.497 3.029 3.021 3.036 . 0 0 "[ . 1 . ]" 2
40 1 2 VAL HA 1 2 VAL QG 2.140 . 2.782 2.125 2.071 2.177 . 0 0 "[ . 1 . ]" 2
41 2 21 ASP HA 2 21 ASP QB 2.560 . 3.328 2.453 2.358 2.533 . 0 0 "[ . 1 . ]" 2
42 1 21 ASN HA 1 21 ASN QB 2.290 . 2.977 2.254 2.223 2.480 . 0 0 "[ . 1 . ]" 2
43 1 22 LEU HA 1 22 LEU QD 2.330 . 3.029 2.447 1.940 3.108 0.079 16 0 "[ . 1 . ]" 2
44 1 22 LEU HA 1 22 LEU HG 2.630 . 3.419 2.536 2.036 3.590 0.171 4 0 "[ . 1 . ]" 2
45 1 22 LEU HA 1 23 CYS QB 3.760 . 4.888 4.295 4.066 4.485 . 0 0 "[ . 1 . ]" 2
46 1 22 LEU HA 1 61 SER HA 2.850 . 3.705 2.217 1.709 2.622 0.091 19 0 "[ . 1 . ]" 2
47 1 22 LEU HA 1 61 SER QB 3.400 . 4.420 3.121 2.022 3.799 . 0 0 "[ . 1 . ]" 2
48 1 22 LEU HA 1 23 CYS HA 3.650 . 4.745 4.407 4.337 4.540 . 0 0 "[ . 1 . ]" 2
49 1 22 LEU QB 1 23 CYS HA 4.180 . 5.434 4.272 3.855 4.613 . 0 0 "[ . 1 . ]" 2
50 1 22 LEU HG 1 23 CYS HA 4.350 . 5.655 5.652 4.918 5.857 0.202 7 0 "[ . 1 . ]" 2
51 1 23 CYS HA 1 23 CYS QB 2.620 . 3.406 2.373 2.312 2.441 . 0 0 "[ . 1 . ]" 2
52 1 23 CYS HA 1 24 TYR QB 3.960 . 5.148 4.381 4.168 4.540 . 0 0 "[ . 1 . ]" 2
53 1 3 CYS QB 1 23 CYS HA 3.420 . 4.446 4.455 4.286 4.586 0.140 4 0 "[ . 1 . ]" 2
54 1 23 CYS HA 1 44 CYS HA 2.580 . 3.354 2.319 1.959 2.697 . 0 0 "[ . 1 . ]" 2
55 1 23 CYS HA 1 44 CYS QB 3.660 . 4.758 3.914 3.456 4.593 . 0 0 "[ . 1 . ]" 2
56 1 23 CYS QB 1 24 TYR HA 3.750 . 4.875 4.289 3.979 4.495 . 0 0 "[ . 1 . ]" 2
57 1 24 TYR HA 1 24 TYR QB 2.430 . 3.159 2.179 2.171 2.187 . 0 0 "[ . 1 . ]" 2
58 1 24 TYR HA 1 25 ARG HA 3.600 . 4.680 4.389 4.361 4.426 . 0 0 "[ . 1 . ]" 2
59 1 24 TYR HA 1 58 THR HB 3.880 . 5.044 4.406 3.446 4.947 . 0 0 "[ . 1 . ]" 2
60 1 24 TYR HA 1 59 CYS HA 2.300 . 2.990 2.335 1.811 2.712 . 0 0 "[ . 1 . ]" 2
61 1 24 TYR HA 1 59 CYS QB 3.450 . 4.485 4.263 3.761 4.544 0.059 5 0 "[ . 1 . ]" 2
62 1 24 TYR HA 1 60 CYS QB 4.020 . 5.226 5.329 5.227 5.415 0.189 14 0 "[ . 1 . ]" 2
63 1 24 TYR HA 1 66 ASN QB 4.040 . 5.252 4.065 3.650 4.556 . 0 0 "[ . 1 . ]" 2
64 1 25 ARG HA 1 25 ARG QG 2.810 . 3.653 2.519 2.042 3.501 . 0 0 "[ . 1 . ]" 2
65 1 25 ARG HA 1 42 LEU HA 2.710 . 3.523 3.056 2.506 3.532 0.009 3 0 "[ . 1 . ]" 2
66 1 26 LYS HA 1 26 LYS QE 3.810 . 4.953 3.075 1.790 5.072 0.119 15 0 "[ . 1 . ]" 2
67 1 26 LYS HA 1 26 LYS QG 2.670 . 3.471 2.664 2.021 3.375 . 0 0 "[ . 1 . ]" 2
68 1 26 LYS HA 1 57 VAL HA 2.300 . 2.990 2.495 1.861 3.012 0.022 14 0 "[ . 1 . ]" 2
69 1 26 LYS HA 1 57 VAL QG 2.690 . 3.497 2.861 1.838 3.556 0.059 9 0 "[ . 1 . ]" 2
70 1 26 LYS HA 1 27 MET HA 3.900 . 5.070 4.377 4.317 4.435 . 0 0 "[ . 1 . ]" 2
71 1 26 LYS QE 1 27 MET HA 3.570 . 4.641 4.683 3.791 4.941 0.300 2 0 "[ . 1 . ]" 2
72 1 27 MET HA 1 27 MET QB 2.600 . 3.380 2.338 2.152 2.534 . 0 0 "[ . 1 . ]" 2
73 1 27 MET HA 1 27 MET QG 2.710 . 3.523 2.604 2.130 3.252 . 0 0 "[ . 1 . ]" 2
74 1 27 MET HA 1 28 TRP HA 3.960 . 5.148 4.410 4.379 4.453 . 0 0 "[ . 1 . ]" 2
75 1 27 MET HA 1 28 TRP QB 4.250 . 5.525 4.331 4.247 4.454 . 0 0 "[ . 1 . ]" 2
76 1 27 MET HA 1 39 VAL HB 4.350 . 5.655 3.903 2.999 4.832 . 0 0 "[ . 1 . ]" 2
77 1 27 MET HA 1 39 VAL QG 3.760 . 4.888 3.096 2.207 3.850 . 0 0 "[ . 1 . ]" 2
78 1 27 MET HA 1 40 VAL HA 2.740 . 3.562 2.907 2.373 3.123 . 0 0 "[ . 1 . ]" 2
79 1 27 MET HA 1 40 VAL HB 4.570 . 5.941 5.803 5.256 5.993 0.052 1 0 "[ . 1 . ]" 2
80 1 27 MET HA 1 40 VAL QG 3.410 . 4.433 3.702 3.071 4.028 . 0 0 "[ . 1 . ]" 2
81 1 27 MET QG 1 40 VAL QG 3.200 . 4.160 2.399 1.867 2.935 . 0 0 "[ . 1 . ]" 2
82 1 27 MET QB 1 28 TRP HA 3.160 . 4.108 4.049 3.923 4.282 0.174 2 0 "[ . 1 . ]" 2
83 1 28 TRP HA 1 28 TRP QB 2.220 . 2.886 2.171 2.158 2.185 . 0 0 "[ . 1 . ]" 2
84 1 28 TRP HA 1 29 CYS QB 3.220 . 4.186 4.182 4.098 4.354 0.168 1 0 "[ . 1 . ]" 2
85 1 28 TRP HA 1 55 GLU HA 2.900 . 3.770 2.968 2.140 3.462 . 0 0 "[ . 1 . ]" 2
86 1 28 TRP HA 1 55 GLU QB 3.510 . 4.563 3.344 2.623 4.283 . 0 0 "[ . 1 . ]" 2
87 1 28 TRP HA 1 55 GLU QG 3.200 . 4.160 3.631 2.487 4.205 0.045 3 0 "[ . 1 . ]" 2
88 1 28 TRP HA 1 29 CYS HA 4.040 . 5.252 4.372 4.316 4.453 . 0 0 "[ . 1 . ]" 2
89 1 29 CYS HA 1 30 ASP QB 4.440 . 5.772 4.096 3.994 4.484 . 0 0 "[ . 1 . ]" 2
90 1 29 CYS HA 1 33 CYS QB 3.350 . 4.355 4.504 4.405 4.752 0.397 18 0 "[ . 1 . ]" 2
91 1 29 CYS HA 1 38 LYS HA 2.490 . 3.237 2.356 1.857 2.860 . 0 0 "[ . 1 . ]" 2
92 1 29 CYS HA 1 38 LYS QD 3.420 . 4.446 3.664 2.507 4.453 0.007 19 0 "[ . 1 . ]" 2
93 1 29 CYS HA 1 38 LYS QG 3.050 . 3.965 2.168 1.854 3.296 . 0 0 "[ . 1 . ]" 2
94 1 29 CYS HA 1 39 VAL HB 3.340 . 4.342 4.520 4.393 4.623 0.281 15 0 "[ . 1 . ]" 2
95 1 29 CYS HA 1 39 VAL QG 4.320 . 5.616 4.032 2.609 4.721 . 0 0 "[ . 1 . ]" 2
96 1 2 VAL QG 1 3 CYS HA 2.790 . 3.627 3.366 3.154 3.633 0.006 7 0 "[ . 1 . ]" 2
97 1 3 CYS HA 1 23 CYS QB 3.620 . 4.706 3.873 3.649 4.172 . 0 0 "[ . 1 . ]" 2
98 1 3 CYS HA 1 3 CYS QB 2.520 . 3.276 2.471 2.432 2.482 . 0 0 "[ . 1 . ]" 2
99 1 3 CYS HA 1 64 LYS QD 4.120 . 5.356 4.676 2.713 5.568 0.212 19 0 "[ . 1 . ]" 2
100 1 3 CYS HA 1 64 LYS QG 3.470 . 4.511 4.247 3.070 4.641 0.130 3 0 "[ . 1 . ]" 2
101 1 31 ALA HA 1 31 ALA MB 2.300 . 2.990 2.069 2.061 2.081 . 0 0 "[ . 1 . ]" 2
102 1 33 CYS HA 1 33 CYS QB 2.280 . 2.964 2.365 2.177 2.530 . 0 0 "[ . 1 . ]" 2
103 1 34 SER HA 1 34 SER QB 2.230 . 2.899 2.428 2.174 2.542 . 0 0 "[ . 1 . ]" 2
104 1 39 VAL HA 2 11 TYR QB 3.400 . 4.420 3.979 3.574 4.470 0.050 2 0 "[ . 1 . ]" 2
105 1 39 VAL HA 1 39 VAL HB 2.420 . 3.146 2.978 2.956 3.017 . 0 0 "[ . 1 . ]" 2
106 1 39 VAL HA 1 39 VAL QG 2.450 . 3.185 2.039 1.943 2.105 . 0 0 "[ . 1 . ]" 2
107 1 39 VAL HB 1 39 VAL QG 2.160 . 2.808 1.876 1.845 1.893 . 0 0 "[ . 1 . ]" 2
108 1 4 HIS HA 1 13 ALA HA 2.220 . 2.886 2.312 1.997 2.553 . 0 0 "[ . 1 . ]" 2
109 1 4 HIS HA 1 13 ALA MB 2.760 . 3.588 2.767 2.040 3.364 . 0 0 "[ . 1 . ]" 2
110 1 4 HIS HA 1 4 HIS QB 2.590 . 3.367 2.483 2.419 2.502 . 0 0 "[ . 1 . ]" 2
111 1 4 HIS HA 1 5 THR HB 3.990 . 5.187 4.736 3.998 5.217 0.030 18 0 "[ . 1 . ]" 2
112 1 4 HIS HA 1 5 THR MG 3.280 . 4.264 3.535 3.008 4.396 0.132 2 0 "[ . 1 . ]" 2
113 1 27 MET QG 1 40 VAL HA 2.690 . 3.497 2.817 1.840 3.559 0.062 6 0 "[ . 1 . ]" 2
114 1 39 VAL HB 1 40 VAL HA 4.530 . 5.889 4.953 4.310 5.194 . 0 0 "[ . 1 . ]" 2
115 1 39 VAL QG 1 40 VAL HA 3.540 . 4.602 3.275 3.019 3.934 . 0 0 "[ . 1 . ]" 2
116 1 40 VAL HA 1 40 VAL QG 2.620 . 3.406 2.042 1.983 2.126 . 0 0 "[ . 1 . ]" 2
117 1 41 GLU HA 2 9 VAL HA 4.260 . 5.538 5.320 4.837 5.601 0.063 6 0 "[ . 1 . ]" 2
118 1 40 VAL HA 1 41 GLU HA 3.670 . 4.771 4.391 4.359 4.413 . 0 0 "[ . 1 . ]" 2
119 1 41 GLU HA 1 41 GLU QG 2.510 . 3.263 3.220 3.046 3.436 0.173 16 0 "[ . 1 . ]" 2
120 1 6 THR MG 1 41 GLU HA 2.770 . 3.601 3.024 1.952 3.738 0.137 18 0 "[ . 1 . ]" 2
121 1 42 LEU HA 1 43 GLY QA 3.630 . 4.719 3.914 3.895 3.928 . 0 0 "[ . 1 . ]" 2
122 1 6 THR MG 1 42 LEU HA 3.560 . 4.628 4.095 3.547 4.639 0.011 1 0 "[ . 1 . ]" 2
123 1 40 VAL QG 1 42 LEU QD 2.360 . 3.068 2.209 1.770 3.218 0.150 5 0 "[ . 1 . ]" 2
124 1 42 LEU HA 1 42 LEU QD 2.420 . 3.146 2.194 1.878 2.596 . 0 0 "[ . 1 . ]" 2
125 1 42 LEU HA 1 42 LEU HG 2.760 . 3.588 3.407 3.045 3.661 0.073 9 0 "[ . 1 . ]" 2
126 1 23 CYS QB 1 44 CYS HA 4.120 . 5.356 4.256 3.719 4.669 . 0 0 "[ . 1 . ]" 2
127 1 3 CYS QB 1 44 CYS HA 3.630 . 4.719 4.208 3.721 4.707 . 0 0 "[ . 1 . ]" 2
128 1 43 GLY QA 1 44 CYS HA 3.890 . 5.057 3.949 3.937 3.974 . 0 0 "[ . 1 . ]" 2
129 1 44 CYS HA 1 44 CYS QB 2.650 . 3.445 2.370 2.306 2.469 . 0 0 "[ . 1 . ]" 2
130 1 44 CYS HA 1 45 ALA HA 3.490 . 4.537 4.444 4.397 4.540 0.003 19 0 "[ . 1 . ]" 2
131 1 44 CYS HA 1 45 ALA MB 3.250 . 4.225 3.934 3.798 4.074 . 0 0 "[ . 1 . ]" 2
132 1 45 ALA HA 1 45 ALA MB 2.130 . 2.769 2.111 2.094 2.128 . 0 0 "[ . 1 . ]" 2
133 1 46 ALA HA 1 46 ALA MB 2.080 . 2.704 2.099 2.087 2.124 . 0 0 "[ . 1 . ]" 2
134 1 46 ALA HA 1 47 THR MG 4.020 . 5.226 4.920 4.551 5.148 . 0 0 "[ . 1 . ]" 2
135 1 47 THR HA 1 47 THR HB 2.040 . 2.652 2.568 2.415 2.825 0.173 1 0 "[ . 1 . ]" 2
136 1 47 THR HA 1 48 CYS QB 3.590 . 4.667 4.503 3.993 4.976 0.309 19 0 "[ . 1 . ]" 2
137 1 46 ALA MB 1 47 THR HB 3.410 . 4.433 3.871 3.335 4.596 0.163 1 0 "[ . 1 . ]" 2
138 1 47 THR HB 1 47 THR MG 2.150 . 2.795 2.077 2.070 2.091 . 0 0 "[ . 1 . ]" 2
139 1 48 CYS HA 1 48 CYS QB 2.610 . 3.393 2.237 2.145 2.528 . 0 0 "[ . 1 . ]" 2
140 1 4 HIS QB 1 5 THR HA 3.560 . 4.628 3.876 3.584 4.359 . 0 0 "[ . 1 . ]" 2
141 1 5 THR HA 1 42 LEU QD 2.970 . 3.861 3.247 2.611 3.767 . 0 0 "[ . 1 . ]" 2
142 1 5 THR HA 1 42 LEU HG 3.020 . 3.926 3.967 3.499 4.132 0.206 17 0 "[ . 1 . ]" 2
143 1 5 THR HA 1 5 THR HB 1.990 . 2.587 2.382 2.299 2.685 0.098 2 0 "[ . 1 . ]" 2
144 1 5 THR HA 1 5 THR MG 2.490 . 3.237 3.193 3.128 3.230 . 0 0 "[ . 1 . ]" 2
145 1 5 THR HA 1 6 THR MG 3.120 . 4.056 3.209 2.889 3.727 . 0 0 "[ . 1 . ]" 2
146 1 5 THR HB 1 5 THR MG 2.100 . 2.730 2.093 2.070 2.116 . 0 0 "[ . 1 . ]" 2
147 1 5 THR MG 2 6 LYS QD 3.310 . 4.303 3.668 2.093 4.365 0.062 11 0 "[ . 1 . ]" 2
148 1 50 SER HA 1 50 SER QB 1.800 . 2.340 2.310 2.225 2.346 0.006 16 0 "[ . 1 . ]" 2
149 1 51 LYS HA 1 57 VAL QG 2.430 . 3.159 2.829 1.796 3.506 0.347 19 0 "[ . 1 . ]" 2
150 1 54 TYR HA 1 54 TYR QB 2.390 . 3.107 2.355 2.149 2.482 . 0 0 "[ . 1 . ]" 2
151 1 28 TRP QB 1 55 GLU HA 2.630 . 3.419 3.104 2.391 3.440 0.021 11 0 "[ . 1 . ]" 2
152 1 54 TYR QB 1 55 GLU HA 3.390 . 4.407 4.313 4.046 4.542 0.135 19 0 "[ . 1 . ]" 2
153 1 55 GLU HA 1 55 GLU QB 2.600 . 3.380 2.284 2.223 2.391 . 0 0 "[ . 1 . ]" 2
154 1 55 GLU HA 1 55 GLU QG 2.740 . 3.562 2.713 2.354 3.314 . 0 0 "[ . 1 . ]" 2
155 1 55 GLU HA 1 56 GLU QB 3.640 . 4.732 3.991 3.898 4.085 . 0 0 "[ . 1 . ]" 2
156 1 56 GLU HA 1 56 GLU QG 2.380 . 3.094 2.471 2.193 2.876 . 0 0 "[ . 1 . ]" 2
157 1 56 GLU HA 1 57 VAL HA 3.830 . 4.979 4.416 4.368 4.532 . 0 0 "[ . 1 . ]" 2
158 1 57 VAL HA 1 57 VAL QG 2.320 . 3.016 2.341 2.233 2.567 . 0 0 "[ . 1 . ]" 2
159 1 57 VAL QG 1 58 THR HA 2.750 . 3.575 3.555 3.243 3.713 0.138 11 0 "[ . 1 . ]" 2
160 1 58 THR HA 1 58 THR HB 2.400 . 3.120 2.967 2.856 3.018 . 0 0 "[ . 1 . ]" 2
161 1 58 THR HA 1 58 THR MG 1.820 . 2.366 2.185 2.046 2.314 . 0 0 "[ . 1 . ]" 2
162 1 58 THR HB 1 58 THR MG 1.900 . 2.470 2.099 2.069 2.119 . 0 0 "[ . 1 . ]" 2
163 1 22 LEU QD 1 59 CYS HA 3.520 . 4.576 3.479 2.252 4.581 0.005 14 0 "[ . 1 . ]" 2
164 1 23 CYS QB 1 59 CYS HA 4.260 . 5.538 5.019 4.640 5.320 . 0 0 "[ . 1 . ]" 2
165 1 24 TYR QB 1 59 CYS HA 3.070 . 3.991 3.273 2.781 3.553 . 0 0 "[ . 1 . ]" 2
166 1 58 THR HA 1 59 CYS HA 3.820 . 4.966 4.427 4.371 4.552 . 0 0 "[ . 1 . ]" 2
167 1 58 THR HB 1 59 CYS HA 4.120 . 5.356 4.505 4.173 4.849 . 0 0 "[ . 1 . ]" 2
168 1 59 CYS HA 1 59 CYS QB 2.530 . 3.289 2.373 2.228 2.494 . 0 0 "[ . 1 . ]" 2
169 1 59 CYS HA 1 60 CYS HA 3.930 . 5.109 4.400 4.364 4.451 . 0 0 "[ . 1 . ]" 2
170 1 59 CYS HA 1 60 CYS QB 4.290 . 5.577 4.371 4.229 4.589 . 0 0 "[ . 1 . ]" 2
171 1 48 CYS QB 1 59 CYS QB 3.500 . 4.550 3.266 2.094 4.233 . 0 0 "[ . 1 . ]" 2
172 1 6 THR HA 1 11 ILE HA 2.730 . 3.549 2.773 2.320 3.293 . 0 0 "[ . 1 . ]" 2
173 1 6 THR HA 1 11 ILE QG 2.630 . 3.419 2.954 2.160 3.569 0.150 6 0 "[ . 1 . ]" 2
174 1 6 THR HA 2 10 TYR QB 3.940 . 5.122 5.303 5.204 5.394 0.272 3 0 "[ . 1 . ]" 2
175 1 5 THR MG 1 6 THR HA 3.370 . 4.381 4.274 3.746 4.441 0.060 19 0 "[ . 1 . ]" 2
176 1 6 THR HA 1 6 THR MG 2.190 . 2.847 2.467 2.270 3.104 0.257 3 0 "[ . 1 . ]" 2
177 1 6 THR HB 1 11 ILE QG 3.570 . 4.641 3.956 2.598 4.663 0.022 8 0 "[ . 1 . ]" 2
178 1 6 THR HB 2 10 TYR QB 3.590 . 4.667 3.466 3.138 4.576 . 0 0 "[ . 1 . ]" 2
179 1 6 THR HB 1 41 GLU HA 3.450 . 4.485 4.197 3.618 4.649 0.164 2 0 "[ . 1 . ]" 2
180 1 6 THR HB 1 42 LEU QD 3.790 . 4.927 4.329 2.764 4.773 . 0 0 "[ . 1 . ]" 2
181 1 6 THR HB 1 42 LEU HG 3.580 . 4.654 4.274 2.936 4.741 0.087 2 0 "[ . 1 . ]" 2
182 1 6 THR HA 1 6 THR HB 2.370 . 3.081 2.411 2.261 2.594 . 0 0 "[ . 1 . ]" 2
183 1 6 THR HB 1 6 THR MG 2.340 . 3.042 2.110 2.083 2.121 . 0 0 "[ . 1 . ]" 2
184 1 6 THR HB 1 7 ALA HA 4.190 . 5.447 4.672 4.283 5.586 0.139 3 0 "[ . 1 . ]" 2
185 1 6 THR HB 1 7 ALA MB 4.550 . 5.915 4.926 4.579 5.531 . 0 0 "[ . 1 . ]" 2
186 1 6 THR MG 1 11 ILE QG 2.550 . 3.315 2.517 1.928 3.467 0.152 2 0 "[ . 1 . ]" 2
187 1 6 THR MG 1 42 LEU QD 2.360 . 3.068 2.259 1.855 3.204 0.136 2 0 "[ . 1 . ]" 2
188 1 60 CYS HA 1 60 CYS QB 2.140 . 2.782 2.180 2.174 2.186 . 0 0 "[ . 1 . ]" 2
189 1 22 LEU QB 1 61 SER HA 3.310 . 4.303 3.922 1.775 4.420 0.117 17 0 "[ . 1 . ]" 2
190 1 22 LEU QD 1 61 SER HA 2.060 . 2.678 2.759 2.693 2.893 0.215 18 0 "[ . 1 . ]" 2
191 1 22 LEU HG 1 61 SER HA 3.530 . 4.589 3.350 1.937 4.427 . 0 0 "[ . 1 . ]" 2
192 1 23 CYS QB 1 61 SER HA 4.070 . 5.291 4.316 3.129 5.342 0.051 19 0 "[ . 1 . ]" 2
193 1 61 SER HA 1 61 SER QB 2.120 . 2.756 2.242 2.159 2.486 . 0 0 "[ . 1 . ]" 2
194 1 61 SER HA 1 62 THR HA 3.400 . 4.420 4.387 4.322 4.511 0.091 14 0 "[ . 1 . ]" 2
195 1 61 SER HA 1 62 THR HG1 3.410 . 4.433 4.237 3.861 4.488 0.055 9 0 "[ . 1 . ]" 2
196 1 22 LEU HG 1 61 SER QB 2.820 . 3.666 2.873 1.977 3.884 0.218 19 0 "[ . 1 . ]" 2
197 1 61 SER QB 1 62 THR HA 4.040 . 5.252 4.528 4.249 4.783 . 0 0 "[ . 1 . ]" 2
198 1 62 THR HA 1 62 THR HB 1.900 . 2.470 2.474 2.223 2.665 0.195 9 0 "[ . 1 . ]" 2
199 1 63 ASP HA 1 63 ASP QB 2.400 . 3.120 2.365 2.300 2.447 . 0 0 "[ . 1 . ]" 2
200 1 64 LYS HA 1 65 CYS HA 3.720 . 4.836 4.576 4.519 4.674 . 0 0 "[ . 1 . ]" 2
201 1 65 CYS HA 1 65 CYS QB 2.030 . 2.639 2.167 2.157 2.176 . 0 0 "[ . 1 . ]" 2
202 1 65 CYS HA 1 66 ASN HA 3.640 . 4.732 4.527 4.495 4.556 . 0 0 "[ . 1 . ]" 2
203 1 66 ASN HA 1 66 ASN QB 2.270 . 2.951 2.175 2.153 2.184 . 0 0 "[ . 1 . ]" 2
204 1 40 VAL QG 1 68 HIS HA 2.750 . 3.575 3.283 2.717 3.736 0.161 8 0 "[ . 1 . ]" 2
205 1 42 LEU QD 1 68 HIS HA 2.760 . 3.588 3.205 2.716 3.697 0.109 12 0 "[ . 1 . ]" 2
206 1 7 ALA HA 1 7 ALA MB 2.220 . 2.886 2.097 2.059 2.115 . 0 0 "[ . 1 . ]" 2
207 1 7 ALA HA 1 8 THR MG 3.810 . 4.953 4.834 3.247 5.048 0.095 6 0 "[ . 1 . ]" 2
208 1 7 ALA MB 2 6 LYS QD 3.310 . 4.303 2.771 1.818 4.213 . 0 0 "[ . 1 . ]" 2
209 1 70 LYS HA 1 70 LYS QB 2.180 . 2.834 2.385 2.215 2.542 . 0 0 "[ . 1 . ]" 2
210 1 70 LYS HA 1 70 LYS QG 2.580 . 3.354 2.622 2.021 3.194 . 0 0 "[ . 1 . ]" 2
211 1 8 THR HA 1 8 THR MG 3.160 . 4.108 3.069 2.635 3.213 . 0 0 "[ . 1 . ]" 2
212 1 8 THR MG 2 6 LYS QD 3.310 . 4.303 2.664 1.712 4.532 0.229 2 0 "[ . 1 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 23 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 44 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 59 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 60 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 65 CYS 0.000 0.000 . 0 "[ . 1 . ]"
2 13 CYS 0.000 0.000 . 0 "[ . 1 . ]"
2 14 CYS 0.000 0.000 . 0 "[ . 1 . ]"
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 3 CYS SG 1 23 CYS SG 2.020 . 2.120 2.028 2.025 2.032 . 0 0 "[ . 1 . ]" 3
2 1 16 CYS SG 1 44 CYS SG 2.020 . 2.120 2.031 2.029 2.034 . 0 0 "[ . 1 . ]" 3
3 1 29 CYS SG 1 33 CYS SG 2.020 . 2.120 2.034 2.029 2.036 . 0 0 "[ . 1 . ]" 3
4 1 48 CYS SG 1 59 CYS SG 2.020 . 2.120 2.029 2.022 2.035 . 0 0 "[ . 1 . ]" 3
5 1 60 CYS SG 1 65 CYS SG 2.020 . 2.120 2.026 2.022 2.030 . 0 0 "[ . 1 . ]" 3
6 2 13 CYS SG 2 14 CYS SG 2.020 . 2.120 2.057 2.052 2.061 . 0 0 "[ . 1 . ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 433
_Distance_constraint_stats_list.Viol_total 659.722
_Distance_constraint_stats_list.Viol_max 0.399
_Distance_constraint_stats_list.Viol_rms 0.0649
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0315
_Distance_constraint_stats_list.Viol_average_violations_only 0.0802
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ILE 0.895 0.097 14 0 "[ . 1 . ]"
1 3 CYS 0.328 0.079 2 0 "[ . 1 . ]"
1 5 THR 0.336 0.054 12 0 "[ . 1 . ]"
1 12 SER 0.336 0.054 12 0 "[ . 1 . ]"
1 14 VAL 0.328 0.079 2 0 "[ . 1 . ]"
1 16 CYS 0.895 0.097 14 0 "[ . 1 . ]"
1 22 LEU 0.626 0.104 16 0 "[ . 1 . ]"
1 23 CYS 0.629 0.122 19 0 "[ . 1 . ]"
1 24 TYR 1.847 0.146 11 0 "[ . 1 . ]"
1 25 ARG 0.919 0.144 4 0 "[ . 1 . ]"
1 26 LYS 2.115 0.202 1 0 "[ . 1 . ]"
1 27 MET 0.512 0.070 14 0 "[ . 1 . ]"
1 28 TRP 2.457 0.200 12 0 "[ . 1 . ]"
1 30 ASP 6.795 0.288 11 0 "[ . 1 . ]"
1 37 GLY 6.795 0.288 11 0 "[ . 1 . ]"
1 38 LYS 1.130 0.129 6 0 "[ . 1 . ]"
1 39 VAL 2.457 0.200 12 0 "[ . 1 . ]"
1 40 VAL 8.857 0.370 3 0 "[ . 1 . ]"
1 41 GLU 2.115 0.202 1 0 "[ . 1 . ]"
1 43 GLY 1.847 0.146 11 0 "[ . 1 . ]"
1 45 ALA 0.626 0.104 16 0 "[ . 1 . ]"
1 56 GLU 0.512 0.070 14 0 "[ . 1 . ]"
1 58 THR 0.919 0.144 4 0 "[ . 1 . ]"
1 60 CYS 0.629 0.122 19 0 "[ . 1 . ]"
2 7 HIS 4.676 0.399 12 0 "[ . 1 . ]"
2 9 VAL 2.602 0.235 9 0 "[ . 1 . ]"
2 10 TYR 8.857 0.370 3 0 "[ . 1 . ]"
2 12 THR 1.130 0.129 6 0 "[ . 1 . ]"
2 19 TYR 2.602 0.235 9 0 "[ . 1 . ]"
2 21 ASP 4.676 0.399 12 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ILE O 1 16 CYS H 2.050 . 2.300 2.326 2.007 2.397 0.097 14 0 "[ . 1 . ]" 4
2 1 1 ILE O 1 16 CYS N 2.900 2.500 3.300 3.165 2.928 3.321 0.021 2 0 "[ . 1 . ]" 4
3 1 3 CYS H 1 14 VAL O 2.050 . 2.300 2.249 1.721 2.334 0.079 2 0 "[ . 1 . ]" 4
4 1 3 CYS N 1 14 VAL O 2.900 2.500 3.300 2.834 2.559 2.979 . 0 0 "[ . 1 . ]" 4
5 1 3 CYS O 1 14 VAL H 2.050 . 2.300 1.993 1.774 2.325 0.026 6 0 "[ . 1 . ]" 4
6 1 3 CYS O 1 14 VAL N 2.900 2.500 3.300 2.793 2.591 2.975 . 0 0 "[ . 1 . ]" 4
7 1 5 THR H 1 12 SER O 2.050 . 2.300 2.022 1.793 2.329 0.029 2 0 "[ . 1 . ]" 4
8 1 5 THR N 1 12 SER O 2.900 2.500 3.300 2.611 2.476 3.072 0.024 14 0 "[ . 1 . ]" 4
9 1 5 THR O 1 12 SER H 2.050 . 2.300 1.880 1.746 2.239 0.054 12 0 "[ . 1 . ]" 4
10 1 5 THR O 1 12 SER N 2.900 2.500 3.300 2.644 2.500 2.985 0.000 2 0 "[ . 1 . ]" 4
11 1 22 LEU H 1 45 ALA O 2.050 . 2.300 2.132 1.801 2.404 0.104 16 0 "[ . 1 . ]" 4
12 1 22 LEU N 1 45 ALA O 2.900 2.500 3.300 2.866 2.482 3.203 0.018 6 0 "[ . 1 . ]" 4
13 1 22 LEU O 1 45 ALA H 2.050 . 2.300 1.931 1.723 2.327 0.077 7 0 "[ . 1 . ]" 4
14 1 22 LEU O 1 45 ALA N 2.900 2.500 3.300 2.781 2.534 3.208 . 0 0 "[ . 1 . ]" 4
15 1 23 CYS H 1 60 CYS O 2.050 . 2.300 1.837 1.678 2.063 0.122 19 0 "[ . 1 . ]" 4
16 1 23 CYS N 1 60 CYS O 2.900 2.500 3.300 2.629 2.512 2.866 . 0 0 "[ . 1 . ]" 4
17 1 23 CYS O 1 60 CYS H 2.050 . 2.300 2.031 1.702 2.341 0.098 2 0 "[ . 1 . ]" 4
18 1 23 CYS O 1 60 CYS N 2.900 2.500 3.300 2.916 2.631 3.268 . 0 0 "[ . 1 . ]" 4
19 1 24 TYR H 1 43 GLY O 2.050 . 2.300 2.167 1.778 2.325 0.025 14 0 "[ . 1 . ]" 4
20 1 24 TYR N 1 43 GLY O 2.900 2.500 3.300 2.982 2.583 3.192 . 0 0 "[ . 1 . ]" 4
21 1 24 TYR O 1 43 GLY H 2.050 . 2.300 2.369 2.302 2.446 0.146 11 0 "[ . 1 . ]" 4
22 1 24 TYR O 1 43 GLY N 2.900 2.500 3.300 3.306 3.185 3.389 0.089 3 0 "[ . 1 . ]" 4
23 1 25 ARG H 1 58 THR O 2.050 . 2.300 2.142 1.793 2.360 0.060 19 0 "[ . 1 . ]" 4
24 1 25 ARG N 1 58 THR O 2.900 2.500 3.300 2.927 2.587 3.243 . 0 0 "[ . 1 . ]" 4
25 1 25 ARG O 1 58 THR H 2.050 . 2.300 2.304 1.937 2.444 0.144 4 0 "[ . 1 . ]" 4
26 1 25 ARG O 1 58 THR N 2.900 2.500 3.300 3.185 2.862 3.289 . 0 0 "[ . 1 . ]" 4
27 1 26 LYS H 1 41 GLU O 2.050 . 2.300 2.392 2.236 2.502 0.202 1 0 "[ . 1 . ]" 4
28 1 26 LYS N 1 41 GLU O 2.900 2.500 3.300 3.211 3.018 3.360 0.060 16 0 "[ . 1 . ]" 4
29 1 26 LYS O 1 41 GLU H 2.050 . 2.300 2.030 1.777 2.344 0.044 15 0 "[ . 1 . ]" 4
30 1 26 LYS O 1 41 GLU N 2.900 2.500 3.300 2.966 2.640 3.320 0.020 1 0 "[ . 1 . ]" 4
31 1 27 MET H 1 56 GLU O 2.050 . 2.300 2.219 1.773 2.370 0.070 14 0 "[ . 1 . ]" 4
32 1 27 MET N 1 56 GLU O 2.900 2.500 3.300 2.965 2.522 3.207 . 0 0 "[ . 1 . ]" 4
33 1 27 MET O 1 56 GLU H 2.050 . 2.300 1.952 1.758 2.314 0.042 5 0 "[ . 1 . ]" 4
34 1 27 MET O 1 56 GLU N 2.900 2.500 3.300 2.814 2.557 3.156 . 0 0 "[ . 1 . ]" 4
35 1 28 TRP H 1 39 VAL O 2.050 . 2.300 2.402 2.254 2.500 0.200 12 0 "[ . 1 . ]" 4
36 1 28 TRP N 1 39 VAL O 2.900 2.500 3.300 3.212 2.927 3.310 0.010 17 0 "[ . 1 . ]" 4
37 1 28 TRP O 1 39 VAL H 2.050 . 2.300 1.904 1.687 2.326 0.113 5 0 "[ . 1 . ]" 4
38 1 28 TRP O 1 39 VAL N 2.900 2.500 3.300 2.803 2.599 3.081 . 0 0 "[ . 1 . ]" 4
39 1 30 ASP H 1 37 GLY O 2.050 . 2.300 2.381 2.293 2.469 0.169 16 0 "[ . 1 . ]" 4
40 1 30 ASP N 1 37 GLY O 2.900 2.500 3.300 3.110 3.002 3.203 . 0 0 "[ . 1 . ]" 4
41 1 30 ASP O 1 37 GLY H 2.050 . 2.300 2.532 2.444 2.588 0.288 11 0 "[ . 1 . ]" 4
42 1 30 ASP O 1 37 GLY N 2.900 2.500 3.300 3.341 3.266 3.379 0.079 6 0 "[ . 1 . ]" 4
43 1 38 LYS H 2 12 THR O 2.050 . 2.300 2.193 1.932 2.405 0.105 10 0 "[ . 1 . ]" 4
44 1 38 LYS N 2 12 THR O 2.900 2.500 3.300 3.113 2.906 3.317 0.017 10 0 "[ . 1 . ]" 4
45 1 38 LYS O 2 12 THR H 2.050 . 2.300 2.130 1.694 2.429 0.129 6 0 "[ . 1 . ]" 4
46 1 38 LYS O 2 12 THR N 2.900 2.500 3.300 2.883 2.442 3.153 0.058 8 0 "[ . 1 . ]" 4
47 1 40 VAL H 2 10 TYR O 2.050 . 2.300 1.822 1.631 2.131 0.169 19 0 "[ . 1 . ]" 4
48 1 40 VAL N 2 10 TYR O 2.900 2.500 3.300 2.428 2.350 2.548 0.150 5 0 "[ . 1 . ]" 4
49 1 40 VAL O 2 10 TYR H 2.050 . 2.300 2.579 2.422 2.670 0.370 3 0 "[ . 1 . ]" 4
50 1 40 VAL O 2 10 TYR N 2.900 2.500 3.300 3.387 3.335 3.462 0.162 3 0 "[ . 1 . ]" 4
51 2 9 VAL H 2 19 TYR O 2.050 . 2.300 2.206 1.951 2.368 0.068 13 0 "[ . 1 . ]" 4
52 2 9 VAL N 2 19 TYR O 2.900 2.500 3.300 2.819 2.560 3.081 . 0 0 "[ . 1 . ]" 4
53 2 9 VAL O 2 19 TYR H 2.050 . 2.300 2.423 2.338 2.535 0.235 9 0 "[ . 1 . ]" 4
54 2 9 VAL O 2 19 TYR N 2.900 2.500 3.300 3.183 3.130 3.279 . 0 0 "[ . 1 . ]" 4
55 2 7 HIS O 2 21 ASP H 2.050 . 2.300 2.093 1.720 2.323 0.080 18 0 "[ . 1 . ]" 4
56 2 7 HIS O 2 21 ASP N 2.900 2.500 3.300 2.715 2.530 2.959 . 0 0 "[ . 1 . ]" 4
57 2 7 HIS H 2 21 ASP O 2.050 . 2.300 2.538 2.394 2.699 0.399 12 0 "[ . 1 . ]" 4
58 2 7 HIS N 2 21 ASP O 2.900 2.500 3.300 3.144 3.034 3.250 . 0 0 "[ . 1 . ]" 4
stop_
save_
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