NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
631268 |
6grv   |
34282 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6grv
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 822
_Distance_constraint_stats_list.Viol_count 1635
_Distance_constraint_stats_list.Viol_total 2446.105
_Distance_constraint_stats_list.Viol_max 0.486
_Distance_constraint_stats_list.Viol_rms 0.0299
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.0748
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 3.602 0.228 6 0 "[ . 1 . 2]"
1 4 ARG 6.779 0.437 20 0 "[ . 1 . 2]"
1 5 CYS 3.292 0.232 20 0 "[ . 1 . 2]"
1 6 GLY 6.589 0.218 15 0 "[ . 1 . 2]"
1 7 CYS 1.099 0.110 11 0 "[ . 1 . 2]"
1 8 PRO 2.313 0.193 6 0 "[ . 1 . 2]"
1 9 ASP 1.082 0.157 3 0 "[ . 1 . 2]"
1 10 CYS 2.940 0.193 6 0 "[ . 1 . 2]"
1 11 HIS 1.920 0.194 2 0 "[ . 1 . 2]"
1 12 CYS 2.350 0.194 2 0 "[ . 1 . 2]"
1 13 LYS 4.295 0.312 8 0 "[ . 1 . 2]"
1 14 VAL 14.368 0.312 8 0 "[ . 1 . 2]"
1 15 ASP 9.540 0.351 9 0 "[ . 1 . 2]"
1 16 PRO 3.301 0.351 9 0 "[ . 1 . 2]"
1 17 GLU 2.072 0.303 13 0 "[ . 1 . 2]"
1 18 ARG 1.774 0.285 19 0 "[ . 1 . 2]"
1 19 VAL 10.865 0.437 20 0 "[ . 1 . 2]"
1 20 PHE 10.281 0.223 9 0 "[ . 1 . 2]"
1 21 ASN 4.486 0.159 6 0 "[ . 1 . 2]"
1 22 HIS 3.762 0.144 6 0 "[ . 1 . 2]"
1 23 ASP 1.404 0.113 9 0 "[ . 1 . 2]"
1 24 GLY 0.493 0.113 9 0 "[ . 1 . 2]"
1 25 GLU 7.352 0.160 2 0 "[ . 1 . 2]"
1 26 ALA 2.118 0.135 11 0 "[ . 1 . 2]"
1 27 TYR 8.963 0.157 14 0 "[ . 1 . 2]"
1 28 CYS 1.040 0.101 8 0 "[ . 1 . 2]"
1 29 SER 4.738 0.216 17 0 "[ . 1 . 2]"
1 30 GLN 6.892 0.223 9 0 "[ . 1 . 2]"
1 31 ALA 3.621 0.298 1 0 "[ . 1 . 2]"
1 32 CYS 1.737 0.102 9 0 "[ . 1 . 2]"
1 33 ALA 8.423 0.189 6 0 "[ . 1 . 2]"
1 34 GLU 3.954 0.170 12 0 "[ . 1 . 2]"
1 35 GLN 3.442 0.182 2 0 "[ . 1 . 2]"
1 36 HIS 4.031 0.173 2 0 "[ . 1 . 2]"
1 37 PRO 0.836 0.147 19 0 "[ . 1 . 2]"
1 38 ASN 3.452 0.375 5 0 "[ . 1 . 2]"
1 39 GLY 1.728 0.163 15 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 0.244 0.056 17 0 "[ . 1 . 2]"
1 42 CYS 3.217 0.216 17 0 "[ . 1 . 2]"
1 43 PRO 6.520 0.298 1 0 "[ . 1 . 2]"
1 44 ALA 2.380 0.130 13 0 "[ . 1 . 2]"
1 45 PRO 3.170 0.263 14 0 "[ . 1 . 2]"
1 46 ASP 2.330 0.121 14 0 "[ . 1 . 2]"
1 47 CYS 2.968 0.263 14 0 "[ . 1 . 2]"
1 48 HIS 2.093 0.114 4 0 "[ . 1 . 2]"
1 49 CYS 3.306 0.157 3 0 "[ . 1 . 2]"
1 50 GLU 1.944 0.143 7 0 "[ . 1 . 2]"
1 51 ARG 2.329 0.260 2 0 "[ . 1 . 2]"
1 52 SER 2.369 0.260 2 0 "[ . 1 . 2]"
1 53 GLY 0.500 0.272 3 0 "[ . 1 . 2]"
1 54 LYS 1.224 0.272 3 0 "[ . 1 . 2]"
1 55 VAL 0.488 0.105 10 0 "[ . 1 . 2]"
1 56 GLY 0.005 0.005 19 0 "[ . 1 . 2]"
1 57 GLY 0.179 0.093 14 0 "[ . 1 . 2]"
1 58 ARG 0.406 0.124 1 0 "[ . 1 . 2]"
1 59 ASP 2.243 0.310 16 0 "[ . 1 . 2]"
1 60 ILE 1.232 0.211 12 0 "[ . 1 . 2]"
1 61 THR 2.134 0.310 16 0 "[ . 1 . 2]"
1 62 ASN 0.148 0.092 10 0 "[ . 1 . 2]"
1 63 ASN 4.180 0.486 12 0 "[ . 1 . 2]"
1 64 GLN 2.971 0.258 17 0 "[ . 1 . 2]"
1 65 LEU 4.461 0.197 15 0 "[ . 1 . 2]"
1 66 ASP 0.829 0.212 7 0 "[ . 1 . 2]"
1 67 GLU 0.435 0.212 7 0 "[ . 1 . 2]"
1 68 ALA 0.442 0.104 7 0 "[ . 1 . 2]"
1 69 LEU 0.796 0.104 7 0 "[ . 1 . 2]"
1 70 GLU 0.337 0.172 2 0 "[ . 1 . 2]"
1 71 GLU 1.747 0.480 16 0 "[ . 1 . 2]"
1 72 THR 3.055 0.480 16 0 "[ . 1 . 2]"
1 73 PHE 0.604 0.193 7 0 "[ . 1 . 2]"
1 74 PRO 0.454 0.132 5 0 "[ . 1 . 2]"
1 75 ALA 0.761 0.088 1 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASP 0.454 0.132 5 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 1.627 0.172 18 0 "[ . 1 . 2]"
1 80 SER 1.554 0.172 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU HA 1 2 GLU QG 3.600 . 3.600 2.596 2.365 3.353 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU HA 1 3 LEU H 2.810 . 2.810 2.277 2.190 2.354 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU QB 1 2 GLU QG 2.220 . 2.220 2.072 2.009 2.090 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU QB 1 3 LEU H 3.760 . 3.760 2.927 2.282 3.746 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU QG 1 3 LEU H 4.390 . 4.390 3.463 2.339 4.258 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLU QG 1 3 LEU MD2 5.340 . 5.340 4.674 3.962 5.069 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU H 1 3 LEU QB 3.890 . 3.890 2.241 2.181 2.309 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU H 1 14 VAL HB 4.250 . 4.250 3.706 3.221 4.182 . 0 0 "[ . 1 . 2]" 1
9 1 3 LEU H 1 14 VAL MG2 5.500 . 5.500 5.058 4.548 5.447 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU H 1 15 ASP H 5.020 . 5.020 5.045 4.621 5.248 0.228 6 0 "[ . 1 . 2]" 1
11 1 3 LEU H 1 16 PRO QB 5.500 . 5.500 4.597 3.994 5.184 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU H 1 16 PRO HD2 5.500 . 5.500 4.454 4.120 4.913 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU H 1 16 PRO HD3 4.510 . 4.510 2.794 2.357 3.244 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU H 1 16 PRO QG 5.350 . 5.350 3.636 2.756 4.855 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU H 1 19 VAL MG1 5.500 . 5.500 5.467 5.275 5.608 0.108 6 0 "[ . 1 . 2]" 1
16 1 3 LEU HA 1 3 LEU MD1 3.350 . 3.350 2.028 1.943 2.068 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU HA 1 3 LEU MD2 3.750 . 3.750 2.332 2.219 2.467 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU HA 1 4 ARG H 2.400 . 2.400 2.231 2.157 2.269 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU HA 1 19 VAL MG2 5.080 . 5.080 4.704 4.540 4.870 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU QB 1 3 LEU MD2 3.170 . 3.170 2.345 2.327 2.366 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU QB 1 4 ARG H 2.990 . 2.990 2.697 2.616 2.760 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU QB 1 14 VAL H 4.530 . 4.530 4.310 3.927 4.624 0.094 15 0 "[ . 1 . 2]" 1
23 1 3 LEU QB 1 14 VAL MG2 3.800 . 3.800 3.426 3.170 3.605 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU QB 1 16 PRO HA 5.270 . 5.270 3.255 2.938 3.593 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU QB 1 19 VAL MG1 3.690 . 3.690 3.464 3.347 3.623 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU MD1 1 4 ARG H 4.240 . 4.240 2.675 2.521 2.780 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU MD1 1 14 VAL HB 4.650 . 4.650 4.296 3.890 4.581 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU MD2 1 4 ARG H 4.070 . 4.070 4.138 4.011 4.217 0.147 20 0 "[ . 1 . 2]" 1
29 1 3 LEU MD2 1 14 VAL HB 4.870 . 4.870 4.619 4.306 4.901 0.031 19 0 "[ . 1 . 2]" 1
30 1 3 LEU MD2 1 16 PRO HA 3.470 . 3.470 1.957 1.829 2.090 . 0 0 "[ . 1 . 2]" 1
31 1 3 LEU MD2 1 16 PRO QB 4.710 . 4.710 2.307 1.878 2.699 . 0 0 "[ . 1 . 2]" 1
32 1 3 LEU MD2 1 16 PRO QG 4.680 . 4.680 2.573 1.874 3.671 . 0 0 "[ . 1 . 2]" 1
33 1 3 LEU MD2 1 17 GLU H 4.850 . 4.850 4.737 4.592 4.873 0.023 2 0 "[ . 1 . 2]" 1
34 1 3 LEU MD2 1 19 VAL HB 5.030 . 5.030 3.671 3.431 4.054 . 0 0 "[ . 1 . 2]" 1
35 1 3 LEU HG 1 4 ARG H 4.990 . 4.990 4.652 4.528 4.702 . 0 0 "[ . 1 . 2]" 1
36 1 4 ARG H 1 4 ARG QB 2.560 . 2.560 2.481 2.316 2.766 0.206 7 0 "[ . 1 . 2]" 1
37 1 4 ARG H 1 4 ARG QD 5.500 . 5.500 4.221 2.698 4.941 . 0 0 "[ . 1 . 2]" 1
38 1 4 ARG H 1 4 ARG QG 4.850 . 4.850 3.669 2.150 4.216 . 0 0 "[ . 1 . 2]" 1
39 1 4 ARG H 1 19 VAL HB 5.500 . 5.500 5.729 5.568 5.937 0.437 20 0 "[ . 1 . 2]" 1
40 1 4 ARG HA 1 4 ARG QD 4.230 . 4.230 3.506 2.036 4.241 0.011 7 0 "[ . 1 . 2]" 1
41 1 4 ARG HA 1 4 ARG QG 3.350 . 3.350 2.455 2.196 3.337 . 0 0 "[ . 1 . 2]" 1
42 1 4 ARG HA 1 5 CYS H 2.790 . 2.790 2.270 2.194 2.326 . 0 0 "[ . 1 . 2]" 1
43 1 4 ARG HA 1 5 CYS HB2 4.710 . 4.710 4.479 4.351 4.610 . 0 0 "[ . 1 . 2]" 1
44 1 4 ARG HA 1 5 CYS HB3 5.500 . 5.500 4.683 4.613 4.787 . 0 0 "[ . 1 . 2]" 1
45 1 4 ARG HA 1 14 VAL H 3.550 . 3.550 3.465 3.083 3.705 0.155 18 0 "[ . 1 . 2]" 1
46 1 4 ARG HA 1 14 VAL MG2 4.270 . 4.270 2.895 2.598 3.123 . 0 0 "[ . 1 . 2]" 1
47 1 4 ARG QB 1 4 ARG QD 3.210 . 3.210 2.213 2.087 2.386 . 0 0 "[ . 1 . 2]" 1
48 1 4 ARG QB 1 4 ARG QG 2.500 . 2.500 2.057 2.005 2.091 . 0 0 "[ . 1 . 2]" 1
49 1 4 ARG QD 1 5 CYS H 5.500 . 5.500 4.292 2.214 5.492 . 0 0 "[ . 1 . 2]" 1
50 1 4 ARG QG 1 5 CYS H 5.060 . 5.060 3.041 2.136 3.945 . 0 0 "[ . 1 . 2]" 1
51 1 5 CYS H 1 5 CYS HB2 2.860 . 2.860 2.696 2.606 2.773 . 0 0 "[ . 1 . 2]" 1
52 1 5 CYS H 1 5 CYS HB3 2.910 . 2.910 2.460 2.419 2.519 . 0 0 "[ . 1 . 2]" 1
53 1 5 CYS H 1 14 VAL MG2 3.490 . 3.490 2.637 2.442 2.831 . 0 0 "[ . 1 . 2]" 1
54 1 5 CYS H 1 27 TYR HA 5.230 . 5.230 4.989 4.864 5.141 . 0 0 "[ . 1 . 2]" 1
55 1 5 CYS H 1 28 CYS H 5.490 . 5.490 5.354 5.193 5.505 0.015 5 0 "[ . 1 . 2]" 1
56 1 5 CYS HA 1 6 GLY H 2.670 . 2.670 2.213 2.168 2.273 . 0 0 "[ . 1 . 2]" 1
57 1 5 CYS HA 1 14 VAL HB 5.020 . 5.020 4.555 4.456 4.673 . 0 0 "[ . 1 . 2]" 1
58 1 5 CYS HA 1 14 VAL MG2 3.320 . 3.320 2.339 2.231 2.434 . 0 0 "[ . 1 . 2]" 1
59 1 5 CYS HA 1 27 TYR HA 3.600 . 3.600 2.156 2.015 2.308 . 0 0 "[ . 1 . 2]" 1
60 1 5 CYS HA 1 27 TYR QD 5.080 . 5.080 4.161 4.024 4.357 . 0 0 "[ . 1 . 2]" 1
61 1 5 CYS HA 1 28 CYS H 3.460 . 3.460 3.298 3.090 3.437 . 0 0 "[ . 1 . 2]" 1
62 1 5 CYS HB2 1 7 CYS H 5.050 . 5.050 4.392 4.274 4.608 . 0 0 "[ . 1 . 2]" 1
63 1 5 CYS HB2 1 14 VAL HB 5.310 . 5.310 4.729 4.605 4.866 . 0 0 "[ . 1 . 2]" 1
64 1 5 CYS HB2 1 14 VAL MG1 5.000 . 5.000 4.333 4.278 4.385 . 0 0 "[ . 1 . 2]" 1
65 1 5 CYS HB2 1 14 VAL MG2 3.550 . 3.550 2.211 2.143 2.307 . 0 0 "[ . 1 . 2]" 1
66 1 5 CYS HB2 1 27 TYR HA 5.180 . 5.180 3.664 3.492 3.803 . 0 0 "[ . 1 . 2]" 1
67 1 5 CYS HB2 1 28 CYS H 3.370 . 3.370 2.975 2.755 3.177 . 0 0 "[ . 1 . 2]" 1
68 1 5 CYS HB3 1 7 CYS H 5.500 . 5.500 3.578 3.399 3.925 . 0 0 "[ . 1 . 2]" 1
69 1 5 CYS HB3 1 14 VAL MG1 5.500 . 5.500 5.664 5.606 5.732 0.232 20 0 "[ . 1 . 2]" 1
70 1 5 CYS HB3 1 14 VAL MG2 4.250 . 4.250 3.392 3.303 3.481 . 0 0 "[ . 1 . 2]" 1
71 1 5 CYS HB3 1 27 TYR HA 5.460 . 5.460 4.506 4.410 4.571 . 0 0 "[ . 1 . 2]" 1
72 1 5 CYS HB3 1 28 CYS H 5.160 . 5.160 4.242 4.059 4.384 . 0 0 "[ . 1 . 2]" 1
73 1 6 GLY H 1 6 GLY QA 2.550 . 2.550 2.205 2.179 2.237 . 0 0 "[ . 1 . 2]" 1
74 1 6 GLY H 1 7 CYS H 3.350 . 3.350 2.605 2.463 2.730 . 0 0 "[ . 1 . 2]" 1
75 1 6 GLY H 1 7 CYS HA 5.500 . 5.500 5.144 5.004 5.277 . 0 0 "[ . 1 . 2]" 1
76 1 6 GLY H 1 7 CYS QB 4.910 . 4.910 4.393 4.209 4.539 . 0 0 "[ . 1 . 2]" 1
77 1 6 GLY H 1 14 VAL MG2 4.100 . 4.100 4.230 4.058 4.318 0.218 15 0 "[ . 1 . 2]" 1
78 1 6 GLY H 1 25 GLU HB3 5.500 . 5.500 4.952 4.467 5.526 0.026 11 0 "[ . 1 . 2]" 1
79 1 6 GLY H 1 25 GLU QG 5.500 . 5.500 5.327 4.436 5.660 0.160 2 0 "[ . 1 . 2]" 1
80 1 6 GLY H 1 26 ALA MB 4.650 . 4.650 4.258 4.116 4.485 . 0 0 "[ . 1 . 2]" 1
81 1 6 GLY H 1 27 TYR HA 3.100 . 3.100 2.116 1.951 2.268 . 0 0 "[ . 1 . 2]" 1
82 1 6 GLY H 1 27 TYR QD 3.820 . 3.820 2.622 2.371 2.932 . 0 0 "[ . 1 . 2]" 1
83 1 6 GLY H 1 27 TYR QE 4.400 . 4.400 3.629 3.437 3.811 . 0 0 "[ . 1 . 2]" 1
84 1 6 GLY H 1 28 CYS H 4.290 . 4.290 3.903 3.611 4.113 . 0 0 "[ . 1 . 2]" 1
85 1 6 GLY H 1 32 CYS HB3 5.420 . 5.420 4.529 4.288 4.720 . 0 0 "[ . 1 . 2]" 1
86 1 6 GLY H 1 33 ALA HA 5.500 . 5.500 5.639 5.558 5.689 0.189 6 0 "[ . 1 . 2]" 1
87 1 6 GLY QA 1 7 CYS HA 4.760 . 4.760 4.001 3.979 4.016 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLY QA 1 25 GLU QG 4.050 . 4.050 3.618 2.993 4.013 . 0 0 "[ . 1 . 2]" 1
89 1 6 GLY QA 1 26 ALA MB 5.340 . 5.340 4.453 4.273 4.561 . 0 0 "[ . 1 . 2]" 1
90 1 6 GLY QA 1 27 TYR HA 5.180 . 5.180 3.935 3.728 4.104 . 0 0 "[ . 1 . 2]" 1
91 1 6 GLY QA 1 27 TYR QD 5.340 . 5.340 3.238 3.079 3.384 . 0 0 "[ . 1 . 2]" 1
92 1 6 GLY QA 1 27 TYR QE 3.990 . 3.990 2.548 2.380 2.770 . 0 0 "[ . 1 . 2]" 1
93 1 6 GLY HA2 1 7 CYS HA 5.500 . 5.500 4.639 4.583 4.762 . 0 0 "[ . 1 . 2]" 1
94 1 6 GLY HA2 1 25 GLU QG 4.800 . 4.800 4.226 3.538 4.670 . 0 0 "[ . 1 . 2]" 1
95 1 6 GLY HA2 1 27 TYR QE 4.560 . 4.560 4.072 3.910 4.249 . 0 0 "[ . 1 . 2]" 1
96 1 6 GLY HA3 1 7 CYS HA 5.500 . 5.500 4.371 4.323 4.414 . 0 0 "[ . 1 . 2]" 1
97 1 6 GLY HA3 1 25 GLU QG 4.800 . 4.800 3.939 3.230 4.438 . 0 0 "[ . 1 . 2]" 1
98 1 6 GLY HA3 1 27 TYR QE 4.560 . 4.560 2.575 2.401 2.807 . 0 0 "[ . 1 . 2]" 1
99 1 7 CYS H 1 7 CYS HB2 3.080 . 3.080 2.807 2.653 2.870 . 0 0 "[ . 1 . 2]" 1
100 1 7 CYS H 1 7 CYS QB 2.680 . 2.680 2.300 2.283 2.351 . 0 0 "[ . 1 . 2]" 1
101 1 7 CYS H 1 7 CYS HB3 3.080 . 3.080 2.446 2.397 2.508 . 0 0 "[ . 1 . 2]" 1
102 1 7 CYS H 1 10 CYS H 5.460 . 5.460 4.950 4.815 5.141 . 0 0 "[ . 1 . 2]" 1
103 1 7 CYS H 1 10 CYS QB 4.980 . 4.980 3.693 3.510 3.892 . 0 0 "[ . 1 . 2]" 1
104 1 7 CYS H 1 14 VAL MG2 5.500 . 5.500 5.418 5.312 5.527 0.027 6 0 "[ . 1 . 2]" 1
105 1 7 CYS H 1 27 TYR HA 4.400 . 4.400 4.066 3.946 4.170 . 0 0 "[ . 1 . 2]" 1
106 1 7 CYS H 1 27 TYR QD 3.310 . 3.310 2.792 2.530 2.962 . 0 0 "[ . 1 . 2]" 1
107 1 7 CYS H 1 27 TYR QE 3.860 . 3.860 3.291 2.857 3.472 . 0 0 "[ . 1 . 2]" 1
108 1 7 CYS H 1 28 CYS H 5.170 . 5.170 4.654 4.494 4.810 . 0 0 "[ . 1 . 2]" 1
109 1 7 CYS HA 1 8 PRO QG 4.160 . 4.160 3.770 3.724 3.803 . 0 0 "[ . 1 . 2]" 1
110 1 7 CYS HA 1 9 ASP H 4.310 . 4.310 3.629 3.512 3.773 . 0 0 "[ . 1 . 2]" 1
111 1 7 CYS HA 1 10 CYS H 5.500 . 5.500 4.342 4.238 4.492 . 0 0 "[ . 1 . 2]" 1
112 1 7 CYS HA 1 27 TYR QD 5.090 . 5.090 4.652 4.502 4.772 . 0 0 "[ . 1 . 2]" 1
113 1 7 CYS HA 1 27 TYR QE 3.700 . 3.700 3.640 3.496 3.770 0.070 20 0 "[ . 1 . 2]" 1
114 1 7 CYS QB 1 8 PRO HD2 4.530 . 4.530 3.701 3.666 3.749 . 0 0 "[ . 1 . 2]" 1
115 1 7 CYS QB 1 10 CYS H 4.400 . 4.400 3.228 3.106 3.344 . 0 0 "[ . 1 . 2]" 1
116 1 7 CYS QB 1 10 CYS QB 3.690 . 3.690 1.919 1.845 1.995 . 0 0 "[ . 1 . 2]" 1
117 1 7 CYS QB 1 27 TYR QD 3.710 . 3.710 3.345 3.276 3.481 . 0 0 "[ . 1 . 2]" 1
118 1 7 CYS QB 1 32 CYS HB2 5.290 . 5.290 3.855 3.608 4.100 . 0 0 "[ . 1 . 2]" 1
119 1 7 CYS HB2 1 27 TYR QD 4.480 . 4.480 3.570 3.454 3.774 . 0 0 "[ . 1 . 2]" 1
120 1 7 CYS HB2 1 27 TYR QE 4.650 . 4.650 3.585 3.459 3.720 . 0 0 "[ . 1 . 2]" 1
121 1 7 CYS HB3 1 27 TYR QD 4.480 . 4.480 4.042 3.959 4.109 . 0 0 "[ . 1 . 2]" 1
122 1 7 CYS HB3 1 27 TYR QE 4.650 . 4.650 4.693 4.580 4.760 0.110 11 0 "[ . 1 . 2]" 1
123 1 8 PRO HA 1 10 CYS H 4.060 . 4.060 3.846 3.732 4.062 0.002 6 0 "[ . 1 . 2]" 1
124 1 8 PRO HB2 1 9 ASP H 3.490 . 3.490 3.499 3.325 3.612 0.122 10 0 "[ . 1 . 2]" 1
125 1 8 PRO HB2 1 10 CYS H 5.300 . 5.300 5.065 4.946 5.194 . 0 0 "[ . 1 . 2]" 1
126 1 8 PRO HB3 1 10 CYS H 5.500 . 5.500 5.577 5.498 5.693 0.193 6 0 "[ . 1 . 2]" 1
127 1 8 PRO HD2 1 9 ASP H 4.820 . 4.820 2.791 2.627 2.921 . 0 0 "[ . 1 . 2]" 1
128 1 8 PRO QG 1 9 ASP H 3.340 . 3.340 2.665 2.454 2.776 . 0 0 "[ . 1 . 2]" 1
129 1 8 PRO QG 1 10 CYS H 5.010 . 5.010 4.695 4.586 4.779 . 0 0 "[ . 1 . 2]" 1
130 1 9 ASP H 1 9 ASP HB2 3.690 . 3.690 2.470 2.217 2.726 . 0 0 "[ . 1 . 2]" 1
131 1 9 ASP H 1 9 ASP QB 2.860 . 2.860 2.322 2.193 2.402 . 0 0 "[ . 1 . 2]" 1
132 1 9 ASP H 1 9 ASP HB3 3.690 . 3.690 3.147 2.558 3.648 . 0 0 "[ . 1 . 2]" 1
133 1 9 ASP H 1 10 CYS H 2.780 . 2.780 2.288 2.129 2.460 . 0 0 "[ . 1 . 2]" 1
134 1 9 ASP H 1 10 CYS HB2 5.500 . 5.500 4.572 4.353 4.837 . 0 0 "[ . 1 . 2]" 1
135 1 9 ASP H 1 10 CYS HB3 5.500 . 5.500 4.266 4.163 4.441 . 0 0 "[ . 1 . 2]" 1
136 1 9 ASP H 1 49 CYS HB3 5.500 . 5.500 5.154 5.027 5.361 . 0 0 "[ . 1 . 2]" 1
137 1 9 ASP HA 1 10 CYS H 3.510 . 3.510 3.317 3.185 3.390 . 0 0 "[ . 1 . 2]" 1
138 1 9 ASP QB 1 10 CYS H 3.720 . 3.720 3.190 2.993 3.484 . 0 0 "[ . 1 . 2]" 1
139 1 9 ASP QB 1 49 CYS HA 3.900 . 3.900 3.608 3.120 4.057 0.157 3 0 "[ . 1 . 2]" 1
140 1 9 ASP QB 1 49 CYS HB2 3.930 . 3.930 2.608 2.388 2.831 . 0 0 "[ . 1 . 2]" 1
141 1 9 ASP QB 1 52 SER H 5.340 . 5.340 4.427 3.593 5.151 . 0 0 "[ . 1 . 2]" 1
142 1 9 ASP QB 1 52 SER QB 5.340 . 5.340 2.836 2.025 3.944 . 0 0 "[ . 1 . 2]" 1
143 1 10 CYS H 1 10 CYS HB2 3.130 . 3.130 2.906 2.752 3.105 . 0 0 "[ . 1 . 2]" 1
144 1 10 CYS H 1 10 CYS QB 2.690 . 2.690 2.267 2.223 2.322 . 0 0 "[ . 1 . 2]" 1
145 1 10 CYS H 1 10 CYS HB3 3.130 . 3.130 2.368 2.314 2.418 . 0 0 "[ . 1 . 2]" 1
146 1 10 CYS H 1 11 HIS H 5.090 . 5.090 4.519 4.441 4.581 . 0 0 "[ . 1 . 2]" 1
147 1 10 CYS H 1 49 CYS HB2 4.760 . 4.760 4.283 4.031 4.609 . 0 0 "[ . 1 . 2]" 1
148 1 10 CYS H 1 49 CYS HB3 5.500 . 5.500 4.145 3.925 4.406 . 0 0 "[ . 1 . 2]" 1
149 1 10 CYS HA 1 11 HIS HD2 4.310 . 4.310 3.401 3.075 4.003 . 0 0 "[ . 1 . 2]" 1
150 1 10 CYS HA 1 49 CYS HA 4.990 . 4.990 4.963 4.649 5.114 0.124 15 0 "[ . 1 . 2]" 1
151 1 10 CYS HA 1 49 CYS HB2 3.750 . 3.750 3.744 3.418 3.848 0.098 9 0 "[ . 1 . 2]" 1
152 1 10 CYS HA 1 49 CYS HB3 3.390 . 3.390 2.559 2.234 2.707 . 0 0 "[ . 1 . 2]" 1
153 1 10 CYS QB 1 49 CYS HB2 4.810 . 4.810 3.324 3.121 3.513 . 0 0 "[ . 1 . 2]" 1
154 1 10 CYS HB2 1 11 HIS H 5.500 . 5.500 3.973 3.844 4.068 . 0 0 "[ . 1 . 2]" 1
155 1 10 CYS HB3 1 11 HIS H 5.500 . 5.500 4.072 3.974 4.202 . 0 0 "[ . 1 . 2]" 1
156 1 11 HIS H 1 11 HIS HD2 4.290 . 4.290 3.133 2.893 3.620 . 0 0 "[ . 1 . 2]" 1
157 1 11 HIS HA 1 11 HIS HD2 4.630 . 4.630 3.585 3.046 3.771 . 0 0 "[ . 1 . 2]" 1
158 1 11 HIS HA 1 11 HIS HE1 5.430 . 5.430 5.255 5.079 5.388 . 0 0 "[ . 1 . 2]" 1
159 1 11 HIS HA 1 12 CYS H 3.410 . 3.410 2.209 2.164 2.253 . 0 0 "[ . 1 . 2]" 1
160 1 11 HIS HB2 1 11 HIS HD2 3.480 . 3.480 3.028 2.953 3.204 . 0 0 "[ . 1 . 2]" 1
161 1 11 HIS HB3 1 12 CYS H 5.500 . 5.500 3.985 3.951 4.027 . 0 0 "[ . 1 . 2]" 1
162 1 11 HIS HD2 1 12 CYS H 5.500 . 5.500 5.580 5.189 5.694 0.194 2 0 "[ . 1 . 2]" 1
163 1 12 CYS H 1 12 CYS HB2 2.870 . 2.870 2.675 2.526 2.798 . 0 0 "[ . 1 . 2]" 1
164 1 12 CYS H 1 12 CYS HB3 3.800 . 3.800 3.687 3.574 3.790 . 0 0 "[ . 1 . 2]" 1
165 1 12 CYS HA 1 13 LYS H 2.540 . 2.540 2.306 2.168 2.553 0.013 10 0 "[ . 1 . 2]" 1
166 1 12 CYS HA 1 13 LYS QB 4.620 . 4.620 4.371 4.225 4.500 . 0 0 "[ . 1 . 2]" 1
167 1 12 CYS HB2 1 13 LYS H 4.070 . 4.070 3.969 3.469 4.184 0.114 12 0 "[ . 1 . 2]" 1
168 1 12 CYS HB3 1 13 LYS H 3.350 . 3.350 2.661 1.944 3.036 . 0 0 "[ . 1 . 2]" 1
169 1 12 CYS HB3 1 13 LYS QB 5.500 . 5.500 4.850 4.628 5.155 . 0 0 "[ . 1 . 2]" 1
170 1 12 CYS HB3 1 14 VAL MG2 5.300 . 5.300 3.470 3.218 3.668 . 0 0 "[ . 1 . 2]" 1
171 1 12 CYS HB3 1 28 CYS HB2 4.110 . 4.110 2.729 2.481 3.232 . 0 0 "[ . 1 . 2]" 1
172 1 12 CYS HB3 1 28 CYS QB 3.580 . 3.580 2.460 2.306 2.714 . 0 0 "[ . 1 . 2]" 1
173 1 12 CYS HB3 1 28 CYS HB3 4.110 . 4.110 2.830 2.597 3.278 . 0 0 "[ . 1 . 2]" 1
174 1 13 LYS H 1 13 LYS QB 3.110 . 3.110 2.676 2.365 3.129 0.019 10 0 "[ . 1 . 2]" 1
175 1 13 LYS H 1 13 LYS HG2 3.760 . 3.760 2.931 1.977 3.798 0.038 5 0 "[ . 1 . 2]" 1
176 1 13 LYS H 1 13 LYS HG3 3.760 . 3.760 2.848 2.394 3.894 0.134 15 0 "[ . 1 . 2]" 1
177 1 13 LYS H 1 14 VAL H 4.000 . 4.000 4.180 4.002 4.312 0.312 8 0 "[ . 1 . 2]" 1
178 1 13 LYS H 1 14 VAL MG2 5.260 . 5.260 4.433 3.988 4.637 . 0 0 "[ . 1 . 2]" 1
179 1 13 LYS HA 1 13 LYS QD 4.830 . 4.830 4.168 3.664 4.558 . 0 0 "[ . 1 . 2]" 1
180 1 13 LYS HA 1 14 VAL H 2.570 . 2.570 2.117 2.044 2.185 . 0 0 "[ . 1 . 2]" 1
181 1 13 LYS HA 1 14 VAL MG2 4.280 . 4.280 3.499 3.249 3.717 . 0 0 "[ . 1 . 2]" 1
182 1 14 VAL H 1 14 VAL HB 2.810 . 2.810 2.658 2.620 2.711 . 0 0 "[ . 1 . 2]" 1
183 1 14 VAL H 1 14 VAL MG1 3.890 . 3.890 3.795 3.748 3.841 . 0 0 "[ . 1 . 2]" 1
184 1 14 VAL H 1 14 VAL MG2 2.950 . 2.950 2.117 1.914 2.322 . 0 0 "[ . 1 . 2]" 1
185 1 14 VAL H 1 15 ASP H 4.790 . 4.790 4.449 4.266 4.627 . 0 0 "[ . 1 . 2]" 1
186 1 14 VAL HA 1 14 VAL MG1 3.390 . 3.390 2.297 2.210 2.352 . 0 0 "[ . 1 . 2]" 1
187 1 14 VAL HA 1 14 VAL MG2 3.310 . 3.310 2.484 2.448 2.533 . 0 0 "[ . 1 . 2]" 1
188 1 14 VAL HA 1 15 ASP H 2.550 . 2.550 2.137 2.060 2.298 . 0 0 "[ . 1 . 2]" 1
189 1 14 VAL HA 1 15 ASP HB2 4.320 . 4.320 4.344 4.109 4.482 0.162 15 0 "[ . 1 . 2]" 1
190 1 14 VAL HA 1 28 CYS HA 4.260 . 4.260 3.351 3.151 3.689 . 0 0 "[ . 1 . 2]" 1
191 1 14 VAL HB 1 15 ASP H 4.170 . 4.170 4.045 3.741 4.233 0.063 2 0 "[ . 1 . 2]" 1
192 1 14 VAL HB 1 19 VAL MG2 4.510 . 4.510 3.895 3.557 4.181 . 0 0 "[ . 1 . 2]" 1
193 1 14 VAL HB 1 28 CYS HA 5.190 . 5.190 4.425 4.315 4.605 . 0 0 "[ . 1 . 2]" 1
194 1 14 VAL MG1 1 15 ASP H 3.370 . 3.370 2.655 2.144 2.992 . 0 0 "[ . 1 . 2]" 1
195 1 14 VAL MG1 1 15 ASP HB2 4.670 . 4.670 4.374 4.085 4.779 0.109 9 0 "[ . 1 . 2]" 1
196 1 14 VAL MG1 1 19 VAL HA 3.360 . 3.360 2.204 2.002 2.427 . 0 0 "[ . 1 . 2]" 1
197 1 14 VAL MG1 1 19 VAL MG2 2.710 . 2.710 1.987 1.908 2.173 . 0 0 "[ . 1 . 2]" 1
198 1 14 VAL MG1 1 27 TYR H 5.050 . 5.050 3.360 3.127 3.725 . 0 0 "[ . 1 . 2]" 1
199 1 14 VAL MG1 1 27 TYR HA 4.880 . 4.880 4.040 3.889 4.323 . 0 0 "[ . 1 . 2]" 1
200 1 14 VAL MG1 1 28 CYS H 4.210 . 4.210 4.074 3.906 4.249 0.039 15 0 "[ . 1 . 2]" 1
201 1 14 VAL MG1 1 28 CYS HA 3.730 . 3.730 2.228 2.020 2.366 . 0 0 "[ . 1 . 2]" 1
202 1 14 VAL MG1 1 28 CYS QB 4.650 . 4.650 3.633 3.480 3.772 . 0 0 "[ . 1 . 2]" 1
203 1 14 VAL MG2 1 15 ASP H 4.100 . 4.100 4.126 4.005 4.182 0.082 17 0 "[ . 1 . 2]" 1
204 1 14 VAL MG2 1 20 PHE HB2 5.500 . 5.500 5.556 5.448 5.651 0.151 15 0 "[ . 1 . 2]" 1
205 1 14 VAL MG2 1 26 ALA MB 3.700 . 3.700 3.658 3.447 3.835 0.135 11 0 "[ . 1 . 2]" 1
206 1 14 VAL MG2 1 27 TYR H 4.850 . 4.850 4.169 3.926 4.413 . 0 0 "[ . 1 . 2]" 1
207 1 14 VAL MG2 1 27 TYR HA 4.110 . 4.110 3.303 3.131 3.580 . 0 0 "[ . 1 . 2]" 1
208 1 14 VAL MG2 1 28 CYS H 3.530 . 3.530 3.065 2.973 3.189 . 0 0 "[ . 1 . 2]" 1
209 1 14 VAL MG2 1 28 CYS HA 3.830 . 3.830 2.015 1.916 2.145 . 0 0 "[ . 1 . 2]" 1
210 1 14 VAL MG2 1 28 CYS QB 3.760 . 3.760 2.201 2.041 2.346 . 0 0 "[ . 1 . 2]" 1
211 1 14 VAL MG2 1 29 SER H 5.500 . 5.500 4.588 4.496 4.697 . 0 0 "[ . 1 . 2]" 1
212 1 15 ASP H 1 15 ASP HB2 2.970 . 2.970 2.397 2.267 2.726 . 0 0 "[ . 1 . 2]" 1
213 1 15 ASP H 1 15 ASP HB3 3.460 . 3.460 3.316 2.689 3.617 0.157 15 0 "[ . 1 . 2]" 1
214 1 15 ASP H 1 18 ARG QD 5.500 . 5.500 5.309 4.643 5.785 0.285 19 0 "[ . 1 . 2]" 1
215 1 15 ASP HA 1 16 PRO HD2 3.000 . 3.000 2.446 2.071 2.841 . 0 0 "[ . 1 . 2]" 1
216 1 15 ASP HA 1 16 PRO HD3 3.070 . 3.070 2.132 1.870 2.490 . 0 0 "[ . 1 . 2]" 1
217 1 15 ASP HA 1 16 PRO QG 4.550 . 4.550 3.845 3.747 3.962 . 0 0 "[ . 1 . 2]" 1
218 1 15 ASP HA 1 17 GLU H 4.100 . 4.100 3.911 3.673 4.146 0.046 17 0 "[ . 1 . 2]" 1
219 1 15 ASP HA 1 18 ARG HB2 5.500 . 5.500 5.197 4.638 5.413 . 0 0 "[ . 1 . 2]" 1
220 1 15 ASP HB2 1 16 PRO HD2 5.500 . 5.500 4.225 4.013 4.451 . 0 0 "[ . 1 . 2]" 1
221 1 15 ASP HB2 1 17 GLU H 3.920 . 3.920 3.841 3.257 4.223 0.303 13 0 "[ . 1 . 2]" 1
222 1 15 ASP HB2 1 18 ARG HB2 4.150 . 4.150 2.641 2.103 3.291 . 0 0 "[ . 1 . 2]" 1
223 1 15 ASP HB2 1 18 ARG HB3 4.760 . 4.760 4.286 3.780 4.854 0.094 10 0 "[ . 1 . 2]" 1
224 1 15 ASP HB3 1 16 PRO QB 5.140 . 5.140 4.974 4.541 5.277 0.137 13 0 "[ . 1 . 2]" 1
225 1 15 ASP HB3 1 16 PRO HD3 4.050 . 4.050 4.038 3.481 4.401 0.351 9 0 "[ . 1 . 2]" 1
226 1 15 ASP HB3 1 17 GLU H 4.380 . 4.380 2.670 2.215 2.918 . 0 0 "[ . 1 . 2]" 1
227 1 15 ASP HB3 1 18 ARG HB2 4.200 . 4.200 3.238 1.928 3.926 . 0 0 "[ . 1 . 2]" 1
228 1 16 PRO HA 1 19 VAL H 5.080 . 5.080 4.132 3.762 4.454 . 0 0 "[ . 1 . 2]" 1
229 1 16 PRO HA 1 19 VAL MG1 3.840 . 3.840 2.661 2.361 2.873 . 0 0 "[ . 1 . 2]" 1
230 1 16 PRO HA 1 19 VAL MG2 4.350 . 4.350 4.384 4.215 4.511 0.161 9 0 "[ . 1 . 2]" 1
231 1 16 PRO QB 1 17 GLU H 3.600 . 3.600 3.023 2.555 3.495 . 0 0 "[ . 1 . 2]" 1
232 1 16 PRO HD2 1 17 GLU H 3.370 . 3.370 2.863 2.579 3.258 . 0 0 "[ . 1 . 2]" 1
233 1 16 PRO QG 1 17 GLU H 5.030 . 5.030 3.506 2.502 4.092 . 0 0 "[ . 1 . 2]" 1
234 1 17 GLU H 1 17 GLU QB 2.710 . 2.710 2.387 2.208 2.746 0.036 4 0 "[ . 1 . 2]" 1
235 1 17 GLU H 1 18 ARG QG 4.610 . 4.610 4.392 4.032 4.742 0.132 15 0 "[ . 1 . 2]" 1
236 1 17 GLU H 1 19 VAL H 4.500 . 4.500 4.385 4.048 4.560 0.060 10 0 "[ . 1 . 2]" 1
237 1 17 GLU HA 1 18 ARG HA 4.790 . 4.790 4.487 4.413 4.542 . 0 0 "[ . 1 . 2]" 1
238 1 17 GLU HA 1 19 VAL H 4.530 . 4.530 4.245 4.006 4.524 . 0 0 "[ . 1 . 2]" 1
239 1 17 GLU HA 1 19 VAL MG1 4.830 . 4.830 4.199 3.906 4.477 . 0 0 "[ . 1 . 2]" 1
240 1 18 ARG H 1 18 ARG HB2 2.930 . 2.930 2.765 2.627 2.856 . 0 0 "[ . 1 . 2]" 1
241 1 18 ARG H 1 19 VAL HA 5.300 . 5.300 4.342 4.232 4.502 . 0 0 "[ . 1 . 2]" 1
242 1 18 ARG H 1 19 VAL MG2 5.420 . 5.420 5.318 5.085 5.469 0.049 13 0 "[ . 1 . 2]" 1
243 1 18 ARG HA 1 18 ARG QD 4.380 . 4.380 3.862 2.057 4.202 . 0 0 "[ . 1 . 2]" 1
244 1 18 ARG HA 1 18 ARG QG 3.660 . 3.660 2.391 2.308 2.858 . 0 0 "[ . 1 . 2]" 1
245 1 18 ARG HA 1 19 VAL H 2.820 . 2.820 2.831 2.640 2.953 0.133 20 0 "[ . 1 . 2]" 1
246 1 18 ARG HB3 1 18 ARG QD 3.760 . 3.760 2.449 2.262 3.442 . 0 0 "[ . 1 . 2]" 1
247 1 18 ARG HB3 1 19 VAL H 4.620 . 4.620 4.398 4.339 4.456 . 0 0 "[ . 1 . 2]" 1
248 1 19 VAL H 1 19 VAL HB 3.070 . 3.070 2.999 2.891 3.104 0.034 11 0 "[ . 1 . 2]" 1
249 1 19 VAL H 1 19 VAL MG1 2.860 . 2.860 1.888 1.839 1.966 . 0 0 "[ . 1 . 2]" 1
250 1 19 VAL H 1 19 VAL MG2 3.790 . 3.790 3.779 3.749 3.808 0.018 19 0 "[ . 1 . 2]" 1
251 1 19 VAL H 1 20 PHE H 5.000 . 5.000 4.430 4.337 4.508 . 0 0 "[ . 1 . 2]" 1
252 1 19 VAL HA 1 19 VAL MG1 3.560 . 3.560 3.207 3.196 3.214 . 0 0 "[ . 1 . 2]" 1
253 1 19 VAL HA 1 19 VAL MG2 3.210 . 3.210 2.475 2.449 2.527 . 0 0 "[ . 1 . 2]" 1
254 1 19 VAL HA 1 20 PHE H 2.630 . 2.630 2.129 2.109 2.164 . 0 0 "[ . 1 . 2]" 1
255 1 19 VAL HA 1 20 PHE HA 5.410 . 5.410 4.369 4.340 4.419 . 0 0 "[ . 1 . 2]" 1
256 1 19 VAL HA 1 20 PHE QD 4.740 . 4.740 3.614 3.329 3.956 . 0 0 "[ . 1 . 2]" 1
257 1 19 VAL HA 1 21 ASN H 5.500 . 5.500 5.531 5.451 5.592 0.092 1 0 "[ . 1 . 2]" 1
258 1 19 VAL HA 1 26 ALA HA 5.490 . 5.490 5.434 5.276 5.556 0.066 19 0 "[ . 1 . 2]" 1
259 1 19 VAL HA 1 26 ALA MB 5.090 . 5.090 4.653 4.551 4.799 . 0 0 "[ . 1 . 2]" 1
260 1 19 VAL HB 1 20 PHE H 4.440 . 4.440 4.206 4.104 4.267 . 0 0 "[ . 1 . 2]" 1
261 1 19 VAL HB 1 21 ASN HD21 5.500 . 5.500 5.401 4.800 5.623 0.123 2 0 "[ . 1 . 2]" 1
262 1 19 VAL HB 1 26 ALA MB 4.570 . 4.570 3.778 3.643 3.969 . 0 0 "[ . 1 . 2]" 1
263 1 19 VAL HB 1 27 TYR H 4.860 . 4.860 4.871 4.756 4.929 0.069 17 0 "[ . 1 . 2]" 1
264 1 19 VAL MG1 1 20 PHE H 4.450 . 4.450 4.203 4.086 4.288 . 0 0 "[ . 1 . 2]" 1
265 1 19 VAL MG1 1 20 PHE HA 5.010 . 5.010 4.488 4.322 4.669 . 0 0 "[ . 1 . 2]" 1
266 1 19 VAL MG1 1 21 ASN H 4.560 . 4.560 4.345 4.170 4.561 0.001 4 0 "[ . 1 . 2]" 1
267 1 19 VAL MG1 1 21 ASN HB2 5.500 . 5.500 4.987 4.709 5.248 . 0 0 "[ . 1 . 2]" 1
268 1 19 VAL MG1 1 21 ASN HD21 4.230 . 4.230 3.728 2.758 4.021 . 0 0 "[ . 1 . 2]" 1
269 1 19 VAL MG1 1 21 ASN HD22 4.000 . 4.000 2.631 1.941 2.932 . 0 0 "[ . 1 . 2]" 1
270 1 19 VAL MG1 1 26 ALA MB 3.790 . 3.790 3.719 3.631 3.794 0.004 12 0 "[ . 1 . 2]" 1
271 1 19 VAL MG1 1 27 TYR H 4.740 . 4.740 4.832 4.782 4.878 0.138 1 0 "[ . 1 . 2]" 1
272 1 19 VAL MG2 1 20 PHE H 3.220 . 3.220 2.847 2.609 2.980 . 0 0 "[ . 1 . 2]" 1
273 1 19 VAL MG2 1 20 PHE HA 5.240 . 5.240 3.892 3.718 4.003 . 0 0 "[ . 1 . 2]" 1
274 1 19 VAL MG2 1 21 ASN HA 4.590 . 4.590 3.392 3.288 3.499 . 0 0 "[ . 1 . 2]" 1
275 1 19 VAL MG2 1 21 ASN HB2 5.500 . 5.500 4.658 4.372 4.939 . 0 0 "[ . 1 . 2]" 1
276 1 19 VAL MG2 1 21 ASN HB3 5.010 . 5.010 4.671 4.271 4.851 . 0 0 "[ . 1 . 2]" 1
277 1 19 VAL MG2 1 26 ALA HA 3.840 . 3.840 2.473 2.368 2.549 . 0 0 "[ . 1 . 2]" 1
278 1 19 VAL MG2 1 26 ALA MB 2.770 . 2.770 1.925 1.856 2.016 . 0 0 "[ . 1 . 2]" 1
279 1 19 VAL MG2 1 27 TYR H 3.530 . 3.530 2.321 2.229 2.368 . 0 0 "[ . 1 . 2]" 1
280 1 20 PHE H 1 20 PHE HB2 3.270 . 3.270 2.251 2.196 2.316 . 0 0 "[ . 1 . 2]" 1
281 1 20 PHE H 1 20 PHE HB3 3.480 . 3.480 3.525 3.495 3.554 0.074 6 0 "[ . 1 . 2]" 1
282 1 20 PHE H 1 20 PHE QD 3.640 . 3.640 2.371 2.113 2.690 . 0 0 "[ . 1 . 2]" 1
283 1 20 PHE H 1 26 ALA MB 5.440 . 5.440 4.961 4.787 5.186 . 0 0 "[ . 1 . 2]" 1
284 1 20 PHE H 1 27 TYR H 3.540 . 3.540 3.322 3.150 3.553 0.013 5 0 "[ . 1 . 2]" 1
285 1 20 PHE H 1 27 TYR QB 5.180 . 5.180 3.969 3.789 4.086 . 0 0 "[ . 1 . 2]" 1
286 1 20 PHE H 1 29 SER HA 5.500 . 5.500 4.161 3.960 4.399 . 0 0 "[ . 1 . 2]" 1
287 1 20 PHE H 1 30 GLN H 5.500 . 5.500 5.649 5.592 5.723 0.223 9 0 "[ . 1 . 2]" 1
288 1 20 PHE HA 1 20 PHE QD 3.800 . 3.800 3.038 2.960 3.097 . 0 0 "[ . 1 . 2]" 1
289 1 20 PHE HA 1 21 ASN H 2.790 . 2.790 2.137 2.107 2.162 . 0 0 "[ . 1 . 2]" 1
290 1 20 PHE HA 1 21 ASN HA 5.310 . 5.310 4.382 4.326 4.421 . 0 0 "[ . 1 . 2]" 1
291 1 20 PHE HA 1 21 ASN HD22 5.500 . 5.500 5.476 4.983 5.645 0.145 2 0 "[ . 1 . 2]" 1
292 1 20 PHE HA 1 30 GLN H 5.500 . 5.500 5.597 5.568 5.639 0.139 6 0 "[ . 1 . 2]" 1
293 1 20 PHE HA 1 30 GLN HA 5.500 . 5.500 5.482 5.277 5.692 0.192 9 0 "[ . 1 . 2]" 1
294 1 20 PHE HB2 1 21 ASN H 5.130 . 5.130 4.471 4.437 4.514 . 0 0 "[ . 1 . 2]" 1
295 1 20 PHE HB2 1 27 TYR H 5.340 . 5.340 3.756 3.449 3.955 . 0 0 "[ . 1 . 2]" 1
296 1 20 PHE HB2 1 33 ALA MB 3.960 . 3.960 3.450 3.342 3.560 . 0 0 "[ . 1 . 2]" 1
297 1 20 PHE HB3 1 21 ASN H 4.150 . 4.150 3.697 3.605 3.752 . 0 0 "[ . 1 . 2]" 1
298 1 20 PHE HB3 1 27 TYR H 5.180 . 5.180 4.599 4.280 4.746 . 0 0 "[ . 1 . 2]" 1
299 1 20 PHE HB3 1 27 TYR HB2 3.600 . 3.600 3.349 2.973 3.481 . 0 0 "[ . 1 . 2]" 1
300 1 20 PHE HB3 1 30 GLN QG 5.500 . 5.500 4.119 3.757 4.930 . 0 0 "[ . 1 . 2]" 1
301 1 20 PHE HB3 1 33 ALA MB 3.790 . 3.790 2.744 2.642 2.825 . 0 0 "[ . 1 . 2]" 1
302 1 20 PHE QD 1 21 ASN H 4.640 . 4.640 4.405 4.204 4.597 . 0 0 "[ . 1 . 2]" 1
303 1 20 PHE QD 1 29 SER HA 4.120 . 4.120 2.417 2.213 2.600 . 0 0 "[ . 1 . 2]" 1
304 1 20 PHE QD 1 30 GLN HA 3.630 . 3.630 3.201 3.044 3.427 . 0 0 "[ . 1 . 2]" 1
305 1 20 PHE QD 1 30 GLN QB 3.790 . 3.790 2.723 2.296 3.572 . 0 0 "[ . 1 . 2]" 1
306 1 20 PHE QD 1 30 GLN QG 4.120 . 4.120 3.075 2.284 3.973 . 0 0 "[ . 1 . 2]" 1
307 1 20 PHE QD 1 33 ALA MB 3.820 . 3.820 3.849 3.629 3.914 0.094 6 0 "[ . 1 . 2]" 1
308 1 20 PHE QE 1 29 SER HA 4.390 . 4.390 3.239 3.031 3.479 . 0 0 "[ . 1 . 2]" 1
309 1 20 PHE QE 1 30 GLN QB 4.410 . 4.410 2.736 2.418 3.349 . 0 0 "[ . 1 . 2]" 1
310 1 20 PHE QE 1 30 GLN QG 4.100 . 4.100 3.856 2.895 4.228 0.128 10 0 "[ . 1 . 2]" 1
311 1 21 ASN H 1 21 ASN HB2 3.140 . 3.140 2.486 2.408 2.679 . 0 0 "[ . 1 . 2]" 1
312 1 21 ASN H 1 21 ASN HB3 4.070 . 4.070 3.647 3.626 3.678 . 0 0 "[ . 1 . 2]" 1
313 1 21 ASN H 1 21 ASN HD21 4.490 . 4.490 3.594 2.347 4.352 . 0 0 "[ . 1 . 2]" 1
314 1 21 ASN H 1 21 ASN HD22 5.220 . 5.220 4.293 3.884 4.510 . 0 0 "[ . 1 . 2]" 1
315 1 21 ASN H 1 22 HIS H 5.490 . 5.490 4.503 4.391 4.552 . 0 0 "[ . 1 . 2]" 1
316 1 21 ASN HA 1 21 ASN HD21 4.810 . 4.810 2.035 1.740 3.795 . 0 0 "[ . 1 . 2]" 1
317 1 21 ASN HA 1 21 ASN HD22 5.180 . 5.180 3.532 3.354 4.286 . 0 0 "[ . 1 . 2]" 1
318 1 21 ASN HA 1 22 HIS H 3.460 . 3.460 2.145 2.080 2.210 . 0 0 "[ . 1 . 2]" 1
319 1 21 ASN HA 1 22 HIS HB2 5.500 . 5.500 4.450 4.363 4.617 . 0 0 "[ . 1 . 2]" 1
320 1 21 ASN HA 1 24 GLY H 5.260 . 5.260 4.844 4.582 5.107 . 0 0 "[ . 1 . 2]" 1
321 1 21 ASN HA 1 25 GLU H 4.830 . 4.830 4.212 3.971 4.477 . 0 0 "[ . 1 . 2]" 1
322 1 21 ASN HA 1 26 ALA HA 3.410 . 3.410 2.702 2.499 2.880 . 0 0 "[ . 1 . 2]" 1
323 1 21 ASN HA 1 26 ALA MB 4.680 . 4.680 4.230 4.045 4.382 . 0 0 "[ . 1 . 2]" 1
324 1 21 ASN HA 1 27 TYR H 4.510 . 4.510 3.519 3.252 3.767 . 0 0 "[ . 1 . 2]" 1
325 1 21 ASN HA 1 27 TYR QD 3.770 . 3.770 3.366 3.007 3.550 . 0 0 "[ . 1 . 2]" 1
326 1 21 ASN HB2 1 21 ASN HD21 3.550 . 3.550 3.421 2.270 3.521 . 0 0 "[ . 1 . 2]" 1
327 1 21 ASN HB2 1 22 HIS HA 4.620 . 4.620 4.640 4.403 4.719 0.099 14 0 "[ . 1 . 2]" 1
328 1 21 ASN HB2 1 25 GLU H 5.500 . 5.500 5.579 5.279 5.659 0.159 6 0 "[ . 1 . 2]" 1
329 1 21 ASN HB3 1 24 GLY H 5.500 . 5.500 3.461 3.081 3.946 . 0 0 "[ . 1 . 2]" 1
330 1 21 ASN HB3 1 25 GLU H 5.500 . 5.500 3.977 3.755 4.077 . 0 0 "[ . 1 . 2]" 1
331 1 21 ASN HD21 1 26 ALA MB 5.060 . 5.060 3.301 2.863 5.129 0.069 16 0 "[ . 1 . 2]" 1
332 1 21 ASN HD22 1 26 ALA MB 5.500 . 5.500 3.297 2.901 4.187 . 0 0 "[ . 1 . 2]" 1
333 1 22 HIS H 1 24 GLY H 5.500 . 5.500 3.425 3.232 3.750 . 0 0 "[ . 1 . 2]" 1
334 1 22 HIS H 1 25 GLU H 4.420 . 4.420 2.619 2.437 2.811 . 0 0 "[ . 1 . 2]" 1
335 1 22 HIS H 1 25 GLU HB2 5.500 . 5.500 3.805 3.271 4.307 . 0 0 "[ . 1 . 2]" 1
336 1 22 HIS H 1 27 TYR QD 4.780 . 4.780 2.946 2.675 3.135 . 0 0 "[ . 1 . 2]" 1
337 1 22 HIS H 1 27 TYR QE 4.650 . 4.650 3.336 3.093 3.619 . 0 0 "[ . 1 . 2]" 1
338 1 22 HIS H 1 33 ALA MB 5.500 . 5.500 4.369 4.179 4.539 . 0 0 "[ . 1 . 2]" 1
339 1 22 HIS HA 1 22 HIS HD2 3.670 . 3.670 3.221 2.777 3.444 . 0 0 "[ . 1 . 2]" 1
340 1 22 HIS HA 1 23 ASP HA 4.380 . 4.380 4.353 4.322 4.385 0.005 2 0 "[ . 1 . 2]" 1
341 1 22 HIS HA 1 23 ASP HB2 5.340 . 5.340 4.417 4.317 4.546 . 0 0 "[ . 1 . 2]" 1
342 1 22 HIS HA 1 24 GLY H 3.790 . 3.790 3.645 3.494 3.756 . 0 0 "[ . 1 . 2]" 1
343 1 22 HIS HA 1 25 GLU H 4.400 . 4.400 4.305 4.195 4.449 0.049 7 0 "[ . 1 . 2]" 1
344 1 22 HIS HA 1 27 TYR QE 4.990 . 4.990 4.676 4.560 4.873 . 0 0 "[ . 1 . 2]" 1
345 1 22 HIS HB2 1 22 HIS HD2 3.230 . 3.230 2.859 2.786 3.032 . 0 0 "[ . 1 . 2]" 1
346 1 22 HIS HB2 1 25 GLU H 5.500 . 5.500 5.247 5.181 5.303 . 0 0 "[ . 1 . 2]" 1
347 1 22 HIS HB2 1 27 TYR QD 3.140 . 3.140 3.188 3.121 3.237 0.097 1 0 "[ . 1 . 2]" 1
348 1 22 HIS HB2 1 27 TYR QE 3.700 . 3.700 3.586 3.377 3.747 0.047 3 0 "[ . 1 . 2]" 1
349 1 22 HIS HB2 1 33 ALA H 5.290 . 5.290 5.320 5.129 5.434 0.144 6 0 "[ . 1 . 2]" 1
350 1 22 HIS HB2 1 33 ALA HA 4.710 . 4.710 3.428 3.181 3.651 . 0 0 "[ . 1 . 2]" 1
351 1 22 HIS HB2 1 33 ALA MB 4.070 . 4.070 1.882 1.801 2.028 . 0 0 "[ . 1 . 2]" 1
352 1 22 HIS HB3 1 22 HIS HE1 5.010 . 5.010 4.753 4.722 4.781 . 0 0 "[ . 1 . 2]" 1
353 1 22 HIS HB3 1 23 ASP HB2 5.500 . 5.500 4.730 4.196 4.966 . 0 0 "[ . 1 . 2]" 1
354 1 22 HIS HB3 1 27 TYR QE 3.190 . 3.190 1.974 1.841 2.223 . 0 0 "[ . 1 . 2]" 1
355 1 22 HIS HB3 1 33 ALA MB 3.890 . 3.890 2.929 2.562 3.282 . 0 0 "[ . 1 . 2]" 1
356 1 22 HIS HD2 1 23 ASP HB2 5.180 . 5.180 5.175 4.531 5.269 0.089 20 0 "[ . 1 . 2]" 1
357 1 22 HIS HD2 1 33 ALA MB 4.870 . 4.870 3.375 3.044 3.864 . 0 0 "[ . 1 . 2]" 1
358 1 22 HIS HE1 1 23 ASP HB2 4.010 . 4.010 3.646 3.082 4.045 0.035 3 0 "[ . 1 . 2]" 1
359 1 23 ASP HB2 1 24 GLY H 4.480 . 4.480 4.479 4.103 4.519 0.039 16 0 "[ . 1 . 2]" 1
360 1 23 ASP HB3 1 24 GLY H 4.130 . 4.130 4.037 3.996 4.243 0.113 9 0 "[ . 1 . 2]" 1
361 1 23 ASP HB3 1 25 GLU H 4.300 . 4.300 3.722 3.490 4.151 . 0 0 "[ . 1 . 2]" 1
362 1 24 GLY H 1 25 GLU H 3.280 . 3.280 2.379 2.238 2.496 . 0 0 "[ . 1 . 2]" 1
363 1 25 GLU H 1 25 GLU HB2 2.970 . 2.970 2.364 2.198 2.544 . 0 0 "[ . 1 . 2]" 1
364 1 25 GLU H 1 25 GLU HB3 3.630 . 3.630 3.302 2.884 3.578 . 0 0 "[ . 1 . 2]" 1
365 1 25 GLU H 1 25 GLU QG 3.900 . 3.900 3.634 3.189 4.022 0.122 12 0 "[ . 1 . 2]" 1
366 1 25 GLU H 1 26 ALA MB 5.500 . 5.500 5.498 5.338 5.588 0.088 17 0 "[ . 1 . 2]" 1
367 1 25 GLU H 1 27 TYR QE 4.120 . 4.120 3.870 3.649 4.133 0.013 16 0 "[ . 1 . 2]" 1
368 1 25 GLU HA 1 25 GLU QG 3.590 . 3.590 2.255 2.163 2.615 . 0 0 "[ . 1 . 2]" 1
369 1 25 GLU HA 1 26 ALA MB 4.400 . 4.400 3.907 3.860 3.970 . 0 0 "[ . 1 . 2]" 1
370 1 25 GLU HB2 1 27 TYR QE 3.220 . 3.220 2.716 2.251 3.291 0.071 4 0 "[ . 1 . 2]" 1
371 1 25 GLU HB3 1 27 TYR HB2 5.500 . 5.500 5.602 5.518 5.657 0.157 14 0 "[ . 1 . 2]" 1
372 1 25 GLU HB3 1 27 TYR QE 3.150 . 3.150 2.365 2.001 2.727 . 0 0 "[ . 1 . 2]" 1
373 1 25 GLU QG 1 27 TYR QE 4.020 . 4.020 3.985 3.639 4.166 0.146 19 0 "[ . 1 . 2]" 1
374 1 26 ALA HA 1 27 TYR H 2.640 . 2.640 2.184 2.153 2.208 . 0 0 "[ . 1 . 2]" 1
375 1 26 ALA HA 1 27 TYR HA 5.140 . 5.140 4.423 4.396 4.449 . 0 0 "[ . 1 . 2]" 1
376 1 26 ALA HA 1 27 TYR QD 3.750 . 3.750 3.772 3.684 3.830 0.080 11 0 "[ . 1 . 2]" 1
377 1 26 ALA MB 1 27 TYR H 3.320 . 3.320 2.907 2.815 2.994 . 0 0 "[ . 1 . 2]" 1
378 1 26 ALA MB 1 27 TYR HB2 5.430 . 5.430 5.087 5.025 5.145 . 0 0 "[ . 1 . 2]" 1
379 1 26 ALA MB 1 27 TYR QD 4.880 . 4.880 4.703 4.649 4.737 . 0 0 "[ . 1 . 2]" 1
380 1 27 TYR H 1 27 TYR HB2 3.970 . 3.970 2.735 2.680 2.779 . 0 0 "[ . 1 . 2]" 1
381 1 27 TYR H 1 27 TYR QB 3.320 . 3.320 2.679 2.628 2.719 . 0 0 "[ . 1 . 2]" 1
382 1 27 TYR H 1 27 TYR HB3 4.150 . 4.150 3.830 3.796 3.858 . 0 0 "[ . 1 . 2]" 1
383 1 27 TYR H 1 27 TYR QD 3.510 . 3.510 3.362 3.251 3.467 . 0 0 "[ . 1 . 2]" 1
384 1 27 TYR H 1 27 TYR QE 5.500 . 5.500 5.300 5.177 5.406 . 0 0 "[ . 1 . 2]" 1
385 1 27 TYR H 1 28 CYS H 4.750 . 4.750 4.415 4.395 4.436 . 0 0 "[ . 1 . 2]" 1
386 1 27 TYR H 1 29 SER H 5.310 . 5.310 5.092 4.966 5.191 . 0 0 "[ . 1 . 2]" 1
387 1 27 TYR HA 1 27 TYR QD 3.400 . 3.400 2.816 2.720 2.910 . 0 0 "[ . 1 . 2]" 1
388 1 27 TYR HA 1 27 TYR QE 5.500 . 5.500 4.591 4.530 4.635 . 0 0 "[ . 1 . 2]" 1
389 1 27 TYR HA 1 28 CYS H 2.700 . 2.700 2.374 2.326 2.405 . 0 0 "[ . 1 . 2]" 1
390 1 27 TYR HA 1 28 CYS HA 4.920 . 4.920 4.302 4.279 4.324 . 0 0 "[ . 1 . 2]" 1
391 1 27 TYR HA 1 28 CYS QB 5.240 . 5.240 4.355 4.297 4.409 . 0 0 "[ . 1 . 2]" 1
392 1 27 TYR HA 1 29 SER H 4.160 . 4.160 4.126 3.977 4.216 0.056 18 0 "[ . 1 . 2]" 1
393 1 27 TYR HA 1 32 CYS HB3 5.490 . 5.490 4.472 4.290 4.726 . 0 0 "[ . 1 . 2]" 1
394 1 27 TYR QB 1 28 CYS H 3.160 . 3.160 2.590 2.505 2.677 . 0 0 "[ . 1 . 2]" 1
395 1 27 TYR QB 1 29 SER H 2.660 . 2.660 2.570 2.427 2.673 0.013 4 0 "[ . 1 . 2]" 1
396 1 27 TYR QB 1 32 CYS H 4.400 . 4.400 3.951 3.853 4.086 . 0 0 "[ . 1 . 2]" 1
397 1 27 TYR QB 1 33 ALA H 3.860 . 3.860 3.085 3.021 3.141 . 0 0 "[ . 1 . 2]" 1
398 1 27 TYR HB2 1 28 CYS H 4.290 . 4.290 3.843 3.735 3.915 . 0 0 "[ . 1 . 2]" 1
399 1 27 TYR HB2 1 28 CYS HA 5.500 . 5.500 5.268 5.174 5.345 . 0 0 "[ . 1 . 2]" 1
400 1 27 TYR HB2 1 33 ALA MB 3.960 . 3.960 2.592 2.510 2.670 . 0 0 "[ . 1 . 2]" 1
401 1 27 TYR HB3 1 28 CYS H 4.150 . 4.150 2.632 2.545 2.727 . 0 0 "[ . 1 . 2]" 1
402 1 27 TYR HB3 1 29 SER H 3.840 . 3.840 2.631 2.485 2.740 . 0 0 "[ . 1 . 2]" 1
403 1 27 TYR HB3 1 32 CYS H 5.480 . 5.480 4.078 3.981 4.234 . 0 0 "[ . 1 . 2]" 1
404 1 27 TYR HB3 1 33 ALA MB 4.090 . 4.090 3.262 3.157 3.381 . 0 0 "[ . 1 . 2]" 1
405 1 27 TYR QD 1 28 CYS H 3.890 . 3.890 3.622 3.570 3.691 . 0 0 "[ . 1 . 2]" 1
406 1 27 TYR QD 1 32 CYS HB2 3.790 . 3.790 3.159 2.821 3.423 . 0 0 "[ . 1 . 2]" 1
407 1 27 TYR QD 1 32 CYS HB3 3.450 . 3.450 2.169 2.002 2.303 . 0 0 "[ . 1 . 2]" 1
408 1 27 TYR QD 1 33 ALA H 4.250 . 4.250 4.111 3.989 4.221 . 0 0 "[ . 1 . 2]" 1
409 1 27 TYR QD 1 33 ALA HA 3.420 . 3.420 2.790 2.641 2.926 . 0 0 "[ . 1 . 2]" 1
410 1 27 TYR QD 1 33 ALA MB 3.160 . 3.160 2.985 2.804 3.103 . 0 0 "[ . 1 . 2]" 1
411 1 27 TYR QE 1 32 CYS HB3 4.020 . 4.020 3.615 3.413 3.829 . 0 0 "[ . 1 . 2]" 1
412 1 27 TYR QE 1 33 ALA HA 4.210 . 4.210 3.285 3.041 3.387 . 0 0 "[ . 1 . 2]" 1
413 1 27 TYR QE 1 33 ALA MB 3.990 . 3.990 3.964 3.687 4.079 0.089 15 0 "[ . 1 . 2]" 1
414 1 28 CYS H 1 28 CYS QB 3.320 . 3.320 2.488 2.428 2.573 . 0 0 "[ . 1 . 2]" 1
415 1 28 CYS H 1 29 SER H 3.100 . 3.100 2.460 2.388 2.501 . 0 0 "[ . 1 . 2]" 1
416 1 28 CYS H 1 32 CYS H 5.190 . 5.190 5.080 5.008 5.202 0.012 17 0 "[ . 1 . 2]" 1
417 1 28 CYS H 1 32 CYS HB2 4.760 . 4.760 3.321 3.226 3.430 . 0 0 "[ . 1 . 2]" 1
418 1 28 CYS H 1 32 CYS HB3 5.130 . 5.130 4.069 3.799 4.387 . 0 0 "[ . 1 . 2]" 1
419 1 28 CYS H 1 33 ALA H 5.340 . 5.340 5.386 5.281 5.441 0.101 8 0 "[ . 1 . 2]" 1
420 1 29 SER H 1 30 GLN H 5.500 . 5.500 4.292 4.216 4.333 . 0 0 "[ . 1 . 2]" 1
421 1 29 SER H 1 32 CYS H 3.830 . 3.830 3.522 3.431 3.619 . 0 0 "[ . 1 . 2]" 1
422 1 29 SER H 1 32 CYS HB2 3.030 . 3.030 2.915 2.700 3.063 0.033 9 0 "[ . 1 . 2]" 1
423 1 29 SER H 1 33 ALA H 4.050 . 4.050 4.008 3.867 4.111 0.061 8 0 "[ . 1 . 2]" 1
424 1 29 SER H 1 33 ALA HA 5.500 . 5.500 5.512 5.296 5.684 0.184 8 0 "[ . 1 . 2]" 1
425 1 29 SER H 1 33 ALA MB 4.680 . 4.680 4.325 4.149 4.424 . 0 0 "[ . 1 . 2]" 1
426 1 29 SER HB2 1 31 ALA H 4.530 . 4.530 4.114 3.033 4.431 . 0 0 "[ . 1 . 2]" 1
427 1 29 SER HB2 1 32 CYS H 5.160 . 5.160 4.701 2.579 4.988 . 0 0 "[ . 1 . 2]" 1
428 1 29 SER HB2 1 42 CYS HA 4.990 . 4.990 4.978 3.413 5.097 0.107 13 0 "[ . 1 . 2]" 1
429 1 29 SER HB2 1 42 CYS HB2 4.050 . 4.050 3.933 2.811 4.100 0.050 9 0 "[ . 1 . 2]" 1
430 1 29 SER HB3 1 30 GLN H 4.050 . 4.050 3.594 2.786 3.881 . 0 0 "[ . 1 . 2]" 1
431 1 29 SER HB3 1 31 ALA H 4.100 . 4.100 2.907 2.595 3.226 . 0 0 "[ . 1 . 2]" 1
432 1 29 SER HB3 1 31 ALA MB 4.710 . 4.710 2.776 2.605 3.026 . 0 0 "[ . 1 . 2]" 1
433 1 29 SER HB3 1 32 CYS H 4.540 . 4.540 3.205 2.899 3.770 . 0 0 "[ . 1 . 2]" 1
434 1 29 SER HB3 1 33 ALA H 5.500 . 5.500 4.862 4.611 5.200 . 0 0 "[ . 1 . 2]" 1
435 1 29 SER HB3 1 42 CYS HA 3.850 . 3.850 3.780 3.641 4.066 0.216 17 0 "[ . 1 . 2]" 1
436 1 29 SER HB3 1 43 PRO HB2 5.500 . 5.500 5.555 5.229 5.662 0.162 16 0 "[ . 1 . 2]" 1
437 1 29 SER HB3 1 43 PRO QG 4.880 . 4.880 3.055 2.703 3.228 . 0 0 "[ . 1 . 2]" 1
438 1 30 GLN H 1 30 GLN QB 3.270 . 3.270 2.132 2.012 2.224 . 0 0 "[ . 1 . 2]" 1
439 1 30 GLN H 1 31 ALA H 3.710 . 3.710 2.743 2.642 2.908 . 0 0 "[ . 1 . 2]" 1
440 1 30 GLN HA 1 30 GLN QE 5.080 . 5.080 4.316 2.225 4.826 . 0 0 "[ . 1 . 2]" 1
441 1 30 GLN HA 1 30 GLN QG 3.360 . 3.360 2.357 2.232 2.609 . 0 0 "[ . 1 . 2]" 1
442 1 30 GLN HA 1 32 CYS H 4.780 . 4.780 4.524 3.960 4.784 0.004 15 0 "[ . 1 . 2]" 1
443 1 30 GLN HA 1 33 ALA H 4.170 . 4.170 3.123 2.577 3.405 . 0 0 "[ . 1 . 2]" 1
444 1 30 GLN HA 1 33 ALA HA 5.020 . 5.020 4.562 4.138 4.880 . 0 0 "[ . 1 . 2]" 1
445 1 30 GLN HA 1 33 ALA MB 3.030 . 3.030 1.947 1.743 2.134 . 0 0 "[ . 1 . 2]" 1
446 1 30 GLN HA 1 34 GLU H 4.160 . 4.160 4.101 3.680 4.213 0.053 5 0 "[ . 1 . 2]" 1
447 1 30 GLN HA 1 34 GLU QG 4.870 . 4.870 4.223 3.969 4.416 . 0 0 "[ . 1 . 2]" 1
448 1 30 GLN QB 1 31 ALA H 2.920 . 2.920 2.860 2.579 2.962 0.042 3 0 "[ . 1 . 2]" 1
449 1 30 GLN QB 1 32 CYS H 5.500 . 5.500 5.113 4.895 5.244 . 0 0 "[ . 1 . 2]" 1
450 1 30 GLN QB 1 33 ALA MB 4.560 . 4.560 3.665 3.249 3.915 . 0 0 "[ . 1 . 2]" 1
451 1 30 GLN QE 1 30 GLN QG 2.910 . 2.910 2.265 2.103 2.702 . 0 0 "[ . 1 . 2]" 1
452 1 30 GLN HE22 1 30 GLN QG 3.630 . 3.630 3.294 3.183 3.492 . 0 0 "[ . 1 . 2]" 1
453 1 30 GLN QG 1 31 ALA H 4.580 . 4.580 4.304 4.014 4.605 0.025 15 0 "[ . 1 . 2]" 1
454 1 31 ALA H 1 31 ALA MB 2.560 . 2.560 2.225 2.203 2.240 . 0 0 "[ . 1 . 2]" 1
455 1 31 ALA H 1 32 CYS H 3.350 . 3.350 2.897 2.779 3.008 . 0 0 "[ . 1 . 2]" 1
456 1 31 ALA H 1 32 CYS HB2 5.500 . 5.500 4.922 4.809 5.095 . 0 0 "[ . 1 . 2]" 1
457 1 31 ALA H 1 33 ALA H 4.800 . 4.800 3.751 3.664 3.924 . 0 0 "[ . 1 . 2]" 1
458 1 31 ALA H 1 42 CYS HA 4.840 . 4.840 4.516 4.323 4.650 . 0 0 "[ . 1 . 2]" 1
459 1 31 ALA HA 1 32 CYS HA 4.730 . 4.730 4.692 4.661 4.727 . 0 0 "[ . 1 . 2]" 1
460 1 31 ALA HA 1 33 ALA H 4.790 . 4.790 4.285 4.204 4.398 . 0 0 "[ . 1 . 2]" 1
461 1 31 ALA HA 1 34 GLU H 4.240 . 4.240 4.039 3.858 4.174 . 0 0 "[ . 1 . 2]" 1
462 1 31 ALA MB 1 32 CYS H 2.960 . 2.960 2.316 2.226 2.478 . 0 0 "[ . 1 . 2]" 1
463 1 31 ALA MB 1 32 CYS HB2 5.480 . 5.480 4.031 3.913 4.149 . 0 0 "[ . 1 . 2]" 1
464 1 31 ALA MB 1 36 HIS H 5.090 . 5.090 4.815 4.678 5.104 0.014 1 0 "[ . 1 . 2]" 1
465 1 31 ALA MB 1 41 PRO HA 5.420 . 5.420 4.266 3.906 4.558 . 0 0 "[ . 1 . 2]" 1
466 1 31 ALA MB 1 42 CYS H 4.850 . 4.850 3.905 3.622 4.095 . 0 0 "[ . 1 . 2]" 1
467 1 31 ALA MB 1 42 CYS HA 3.560 . 3.560 1.976 1.879 2.059 . 0 0 "[ . 1 . 2]" 1
468 1 31 ALA MB 1 42 CYS HB2 5.020 . 5.020 3.238 3.126 3.452 . 0 0 "[ . 1 . 2]" 1
469 1 31 ALA MB 1 42 CYS HB3 4.960 . 4.960 3.309 3.103 3.471 . 0 0 "[ . 1 . 2]" 1
470 1 31 ALA MB 1 43 PRO HB3 4.340 . 4.340 4.510 4.450 4.638 0.298 1 0 "[ . 1 . 2]" 1
471 1 31 ALA MB 1 43 PRO QG 4.070 . 4.070 3.722 2.715 3.958 . 0 0 "[ . 1 . 2]" 1
472 1 32 CYS H 1 32 CYS HB2 3.000 . 3.000 2.249 2.180 2.302 . 0 0 "[ . 1 . 2]" 1
473 1 32 CYS H 1 32 CYS HB3 3.450 . 3.450 3.525 3.466 3.552 0.102 9 0 "[ . 1 . 2]" 1
474 1 32 CYS H 1 33 ALA H 2.970 . 2.970 2.425 2.311 2.492 . 0 0 "[ . 1 . 2]" 1
475 1 32 CYS H 1 33 ALA HA 5.450 . 5.450 4.980 4.875 5.035 . 0 0 "[ . 1 . 2]" 1
476 1 32 CYS H 1 42 CYS HA 4.410 . 4.410 4.021 3.866 4.255 . 0 0 "[ . 1 . 2]" 1
477 1 32 CYS H 1 43 PRO HD2 5.500 . 5.500 4.548 4.241 5.016 . 0 0 "[ . 1 . 2]" 1
478 1 32 CYS H 1 43 PRO QD 4.710 . 4.710 4.085 3.842 4.324 . 0 0 "[ . 1 . 2]" 1
479 1 32 CYS H 1 43 PRO HD3 5.500 . 5.500 4.682 3.988 5.016 . 0 0 "[ . 1 . 2]" 1
480 1 32 CYS HA 1 35 GLN H 4.620 . 4.620 3.282 3.197 3.429 . 0 0 "[ . 1 . 2]" 1
481 1 32 CYS HA 1 36 HIS H 4.650 . 4.650 3.122 3.019 3.225 . 0 0 "[ . 1 . 2]" 1
482 1 32 CYS HA 1 36 HIS HD2 4.420 . 4.420 4.310 4.150 4.459 0.039 14 0 "[ . 1 . 2]" 1
483 1 32 CYS HA 1 37 PRO HD3 5.500 . 5.500 5.358 5.148 5.530 0.030 11 0 "[ . 1 . 2]" 1
484 1 32 CYS HB2 1 33 ALA H 3.450 . 3.450 3.126 3.007 3.203 . 0 0 "[ . 1 . 2]" 1
485 1 32 CYS HB2 1 33 ALA MB 4.600 . 4.600 4.504 4.364 4.594 . 0 0 "[ . 1 . 2]" 1
486 1 32 CYS HB2 1 35 GLN H 5.500 . 5.500 5.333 5.235 5.495 . 0 0 "[ . 1 . 2]" 1
487 1 33 ALA H 1 33 ALA MB 2.670 . 2.670 2.227 2.210 2.235 . 0 0 "[ . 1 . 2]" 1
488 1 33 ALA H 1 34 GLU H 2.910 . 2.910 2.743 2.700 2.785 . 0 0 "[ . 1 . 2]" 1
489 1 33 ALA H 1 34 GLU HG2 5.500 . 5.500 5.565 5.361 5.650 0.150 8 0 "[ . 1 . 2]" 1
490 1 33 ALA H 1 34 GLU HG3 5.500 . 5.500 4.760 4.614 5.004 . 0 0 "[ . 1 . 2]" 1
491 1 33 ALA H 1 36 HIS H 5.410 . 5.410 5.117 4.986 5.318 . 0 0 "[ . 1 . 2]" 1
492 1 33 ALA HA 1 35 GLN H 3.760 . 3.760 3.642 3.592 3.684 . 0 0 "[ . 1 . 2]" 1
493 1 33 ALA HA 1 35 GLN QG 4.790 . 4.790 4.189 4.004 4.284 . 0 0 "[ . 1 . 2]" 1
494 1 33 ALA MB 1 34 GLU H 2.960 . 2.960 2.516 2.433 2.622 . 0 0 "[ . 1 . 2]" 1
495 1 33 ALA MB 1 34 GLU HA 4.790 . 4.790 3.905 3.863 3.944 . 0 0 "[ . 1 . 2]" 1
496 1 33 ALA MB 1 34 GLU QG 4.100 . 4.100 3.057 2.927 3.236 . 0 0 "[ . 1 . 2]" 1
497 1 33 ALA MB 1 35 GLN H 4.200 . 4.200 4.121 4.035 4.190 . 0 0 "[ . 1 . 2]" 1
498 1 34 GLU H 1 34 GLU QB 2.870 . 2.870 2.442 2.382 2.501 . 0 0 "[ . 1 . 2]" 1
499 1 34 GLU H 1 34 GLU HG2 3.060 . 3.060 3.172 3.077 3.230 0.170 12 0 "[ . 1 . 2]" 1
500 1 34 GLU H 1 34 GLU HG3 3.060 . 3.060 2.565 2.407 2.893 . 0 0 "[ . 1 . 2]" 1
501 1 34 GLU H 1 35 GLN H 2.880 . 2.880 2.603 2.538 2.676 . 0 0 "[ . 1 . 2]" 1
502 1 34 GLU H 1 35 GLN HA 5.500 . 5.500 4.775 4.721 4.855 . 0 0 "[ . 1 . 2]" 1
503 1 34 GLU H 1 36 HIS H 4.020 . 4.020 3.828 3.759 3.920 . 0 0 "[ . 1 . 2]" 1
504 1 34 GLU H 1 37 PRO HD3 5.490 . 5.490 4.027 3.914 4.175 . 0 0 "[ . 1 . 2]" 1
505 1 34 GLU HA 1 34 GLU HG2 3.730 . 3.730 2.388 2.325 2.471 . 0 0 "[ . 1 . 2]" 1
506 1 34 GLU HA 1 34 GLU QG 3.030 . 3.030 2.343 2.294 2.413 . 0 0 "[ . 1 . 2]" 1
507 1 34 GLU HA 1 34 GLU HG3 3.730 . 3.730 3.391 3.340 3.512 . 0 0 "[ . 1 . 2]" 1
508 1 34 GLU HA 1 35 GLN H 3.350 . 3.350 3.194 3.155 3.231 . 0 0 "[ . 1 . 2]" 1
509 1 34 GLU HA 1 35 GLN QG 5.340 . 5.340 3.379 3.230 3.556 . 0 0 "[ . 1 . 2]" 1
510 1 34 GLU HA 1 37 PRO HD3 5.200 . 5.200 4.368 4.183 4.643 . 0 0 "[ . 1 . 2]" 1
511 1 34 GLU QB 1 35 GLN H 4.090 . 4.090 3.499 3.457 3.562 . 0 0 "[ . 1 . 2]" 1
512 1 34 GLU QB 1 36 HIS H 4.190 . 4.190 3.360 3.236 3.492 . 0 0 "[ . 1 . 2]" 1
513 1 34 GLU QG 1 35 GLN H 5.340 . 5.340 4.360 4.301 4.433 . 0 0 "[ . 1 . 2]" 1
514 1 35 GLN H 1 35 GLN HA 2.460 . 2.460 2.267 2.261 2.274 . 0 0 "[ . 1 . 2]" 1
515 1 35 GLN H 1 35 GLN HG2 3.280 . 3.280 3.364 3.280 3.462 0.182 2 0 "[ . 1 . 2]" 1
516 1 35 GLN H 1 35 GLN QG 2.830 . 2.830 2.549 2.423 2.659 . 0 0 "[ . 1 . 2]" 1
517 1 35 GLN H 1 35 GLN HG3 3.280 . 3.280 2.643 2.477 2.798 . 0 0 "[ . 1 . 2]" 1
518 1 35 GLN H 1 36 HIS H 3.030 . 3.030 2.711 2.681 2.753 . 0 0 "[ . 1 . 2]" 1
519 1 35 GLN H 1 36 HIS HD2 5.420 . 5.420 5.295 5.247 5.406 . 0 0 "[ . 1 . 2]" 1
520 1 35 GLN HA 1 35 GLN HG2 3.980 . 3.980 2.657 2.577 2.717 . 0 0 "[ . 1 . 2]" 1
521 1 35 GLN HA 1 35 GLN QG 3.480 . 3.480 2.503 2.459 2.549 . 0 0 "[ . 1 . 2]" 1
522 1 35 GLN HA 1 35 GLN HG3 3.980 . 3.980 3.064 2.944 3.199 . 0 0 "[ . 1 . 2]" 1
523 1 35 GLN HA 1 36 HIS HB2 4.390 . 4.390 4.475 4.444 4.498 0.108 7 0 "[ . 1 . 2]" 1
524 1 35 GLN HA 1 36 HIS HD2 3.410 . 3.410 3.373 3.331 3.459 0.049 8 0 "[ . 1 . 2]" 1
525 1 35 GLN HB2 1 36 HIS H 5.500 . 5.500 4.178 4.141 4.263 . 0 0 "[ . 1 . 2]" 1
526 1 35 GLN HB3 1 36 HIS H 5.500 . 5.500 4.478 4.454 4.508 . 0 0 "[ . 1 . 2]" 1
527 1 35 GLN HB3 1 36 HIS HD2 4.610 . 4.610 4.319 4.181 4.453 . 0 0 "[ . 1 . 2]" 1
528 1 36 HIS H 1 36 HIS HA 2.630 . 2.630 2.271 2.266 2.278 . 0 0 "[ . 1 . 2]" 1
529 1 36 HIS H 1 36 HIS HB2 3.680 . 3.680 3.643 3.595 3.655 . 0 0 "[ . 1 . 2]" 1
530 1 36 HIS H 1 36 HIS HB3 4.180 . 4.180 4.035 3.982 4.053 . 0 0 "[ . 1 . 2]" 1
531 1 36 HIS H 1 36 HIS HD2 3.890 . 3.890 3.943 3.898 3.961 0.071 13 0 "[ . 1 . 2]" 1
532 1 36 HIS HA 1 39 GLY HA2 4.580 . 4.580 4.394 4.241 4.531 . 0 0 "[ . 1 . 2]" 1
533 1 36 HIS HB2 1 36 HIS HD2 3.430 . 3.430 2.706 2.686 2.737 . 0 0 "[ . 1 . 2]" 1
534 1 36 HIS HB2 1 38 ASN H 5.390 . 5.390 5.412 5.143 5.563 0.173 2 0 "[ . 1 . 2]" 1
535 1 36 HIS HB2 1 39 GLY H 5.160 . 5.160 4.033 3.904 4.173 . 0 0 "[ . 1 . 2]" 1
536 1 36 HIS HB2 1 50 GLU HA 5.500 . 5.500 4.014 3.705 4.122 . 0 0 "[ . 1 . 2]" 1
537 1 36 HIS HB2 1 50 GLU QB 5.130 . 5.130 5.010 4.659 5.129 . 0 0 "[ . 1 . 2]" 1
538 1 36 HIS HB3 1 39 GLY H 3.990 . 3.990 3.012 2.834 3.149 . 0 0 "[ . 1 . 2]" 1
539 1 36 HIS HB3 1 39 GLY HA3 4.240 . 4.240 4.096 3.860 4.267 0.027 19 0 "[ . 1 . 2]" 1
540 1 36 HIS HB3 1 50 GLU HA 4.820 . 4.820 3.481 3.296 3.645 . 0 0 "[ . 1 . 2]" 1
541 1 36 HIS HB3 1 50 GLU QB 4.430 . 4.430 4.052 3.731 4.117 . 0 0 "[ . 1 . 2]" 1
542 1 36 HIS HD2 1 50 GLU HA 4.250 . 4.250 4.017 3.684 4.083 . 0 0 "[ . 1 . 2]" 1
543 1 36 HIS HE1 1 50 GLU QB 5.190 . 5.190 4.361 4.132 4.816 . 0 0 "[ . 1 . 2]" 1
544 1 37 PRO HA 1 39 GLY H 4.800 . 4.800 4.052 3.904 4.245 . 0 0 "[ . 1 . 2]" 1
545 1 37 PRO QB 1 38 ASN H 3.990 . 3.990 2.941 2.249 3.272 . 0 0 "[ . 1 . 2]" 1
546 1 37 PRO QB 1 38 ASN HD22 4.670 . 4.670 3.317 3.026 3.693 . 0 0 "[ . 1 . 2]" 1
547 1 37 PRO HB2 1 38 ASN HD21 5.500 . 5.500 3.187 1.911 3.951 . 0 0 "[ . 1 . 2]" 1
548 1 37 PRO HB3 1 38 ASN HD21 5.500 . 5.500 4.846 3.455 5.647 0.147 19 0 "[ . 1 . 2]" 1
549 1 37 PRO HD3 1 39 GLY H 5.500 . 5.500 4.930 4.659 5.194 . 0 0 "[ . 1 . 2]" 1
550 1 37 PRO HG2 1 38 ASN H 4.090 . 4.090 2.377 2.108 3.555 . 0 0 "[ . 1 . 2]" 1
551 1 37 PRO HG2 1 38 ASN HD21 5.030 . 5.030 4.058 2.361 4.934 . 0 0 "[ . 1 . 2]" 1
552 1 37 PRO HG2 1 38 ASN HD22 4.920 . 4.920 4.318 3.673 4.948 0.028 2 0 "[ . 1 . 2]" 1
553 1 37 PRO HG2 1 39 GLY H 5.280 . 5.280 4.571 4.237 5.337 0.057 5 0 "[ . 1 . 2]" 1
554 1 37 PRO HG3 1 38 ASN H 5.410 . 5.410 3.818 3.675 4.333 . 0 0 "[ . 1 . 2]" 1
555 1 38 ASN H 1 38 ASN HD21 5.100 . 5.100 3.392 2.374 4.206 . 0 0 "[ . 1 . 2]" 1
556 1 38 ASN H 1 38 ASN HD22 5.500 . 5.500 4.342 4.029 4.637 . 0 0 "[ . 1 . 2]" 1
557 1 38 ASN H 1 39 GLY H 3.600 . 3.600 2.331 2.151 2.486 . 0 0 "[ . 1 . 2]" 1
558 1 38 ASN H 1 39 GLY HA2 5.500 . 5.500 4.541 4.430 4.646 . 0 0 "[ . 1 . 2]" 1
559 1 38 ASN H 1 39 GLY HA3 5.070 . 5.070 4.863 4.724 4.951 . 0 0 "[ . 1 . 2]" 1
560 1 38 ASN HA 1 38 ASN HD21 2.870 . 2.870 2.389 1.826 3.245 0.375 5 0 "[ . 1 . 2]" 1
561 1 38 ASN HA 1 38 ASN HD22 4.230 . 4.230 3.697 3.461 3.998 . 0 0 "[ . 1 . 2]" 1
562 1 38 ASN HD21 1 39 GLY H 5.210 . 5.210 4.739 4.214 5.373 0.163 15 0 "[ . 1 . 2]" 1
563 1 39 GLY H 1 50 GLU QB 5.500 . 5.500 5.441 5.255 5.594 0.094 7 0 "[ . 1 . 2]" 1
564 1 39 GLY HA2 1 50 GLU QB 5.500 . 5.500 3.457 3.247 3.696 . 0 0 "[ . 1 . 2]" 1
565 1 39 GLY HA3 1 50 GLU HA 5.500 . 5.500 5.467 5.251 5.643 0.143 7 0 "[ . 1 . 2]" 1
566 1 39 GLY HA3 1 50 GLU QB 4.520 . 4.520 3.919 3.753 4.216 . 0 0 "[ . 1 . 2]" 1
567 1 40 GLU HA 1 40 GLU HG2 4.070 . 4.070 3.029 2.268 3.814 . 0 0 "[ . 1 . 2]" 1
568 1 40 GLU HA 1 40 GLU QG 3.520 . 3.520 2.525 2.176 3.376 . 0 0 "[ . 1 . 2]" 1
569 1 40 GLU HA 1 40 GLU HG3 4.070 . 4.070 3.022 2.261 3.904 . 0 0 "[ . 1 . 2]" 1
570 1 40 GLU QG 1 41 PRO QD 5.180 . 5.180 3.116 1.979 4.356 . 0 0 "[ . 1 . 2]" 1
571 1 41 PRO HA 1 42 CYS H 3.020 . 3.020 2.478 2.420 2.541 . 0 0 "[ . 1 . 2]" 1
572 1 41 PRO HA 1 50 GLU H 5.500 . 5.500 5.315 4.985 5.520 0.020 11 0 "[ . 1 . 2]" 1
573 1 41 PRO HA 1 50 GLU HA 5.220 . 5.220 3.557 3.157 3.797 . 0 0 "[ . 1 . 2]" 1
574 1 41 PRO HA 1 50 GLU QB 3.400 . 3.400 3.093 2.814 3.446 0.046 3 0 "[ . 1 . 2]" 1
575 1 41 PRO HB2 1 42 CYS H 3.240 . 3.240 2.724 2.432 3.181 . 0 0 "[ . 1 . 2]" 1
576 1 41 PRO HB2 1 42 CYS HA 4.900 . 4.900 4.609 4.532 4.733 . 0 0 "[ . 1 . 2]" 1
577 1 41 PRO QD 1 42 CYS H 4.960 . 4.960 4.938 4.827 5.016 0.056 17 0 "[ . 1 . 2]" 1
578 1 41 PRO QG 1 42 CYS H 5.030 . 5.030 4.238 4.017 4.520 . 0 0 "[ . 1 . 2]" 1
579 1 42 CYS H 1 42 CYS HB2 3.860 . 3.860 3.614 3.593 3.650 . 0 0 "[ . 1 . 2]" 1
580 1 42 CYS H 1 42 CYS HB3 3.480 . 3.480 2.522 2.468 2.635 . 0 0 "[ . 1 . 2]" 1
581 1 42 CYS H 1 44 ALA H 5.060 . 5.060 4.409 4.308 4.747 . 0 0 "[ . 1 . 2]" 1
582 1 42 CYS H 1 44 ALA MB 5.440 . 5.440 4.897 4.778 5.069 . 0 0 "[ . 1 . 2]" 1
583 1 42 CYS H 1 49 CYS H 5.240 . 5.240 4.095 3.680 4.521 . 0 0 "[ . 1 . 2]" 1
584 1 42 CYS H 1 50 GLU QB 5.500 . 5.500 5.055 4.723 5.413 . 0 0 "[ . 1 . 2]" 1
585 1 42 CYS HA 1 42 CYS HB2 2.830 . 2.830 2.404 2.388 2.425 . 0 0 "[ . 1 . 2]" 1
586 1 42 CYS HA 1 43 PRO QG 4.480 . 4.480 4.064 3.680 4.138 . 0 0 "[ . 1 . 2]" 1
587 1 42 CYS HA 1 44 ALA H 5.120 . 5.120 4.234 4.160 4.397 . 0 0 "[ . 1 . 2]" 1
588 1 42 CYS HB2 1 43 PRO HB2 5.500 . 5.500 5.512 5.088 5.610 0.110 17 0 "[ . 1 . 2]" 1
589 1 42 CYS HB2 1 43 PRO HB3 5.500 . 5.500 5.471 5.419 5.698 0.198 14 0 "[ . 1 . 2]" 1
590 1 42 CYS HB2 1 43 PRO QG 5.350 . 5.350 3.622 3.458 4.040 . 0 0 "[ . 1 . 2]" 1
591 1 42 CYS HB2 1 44 ALA H 4.930 . 4.930 3.750 3.414 4.177 . 0 0 "[ . 1 . 2]" 1
592 1 42 CYS HB3 1 44 ALA H 5.500 . 5.500 4.637 4.458 4.943 . 0 0 "[ . 1 . 2]" 1
593 1 43 PRO QD 1 44 ALA H 4.220 . 4.220 3.615 3.311 3.922 . 0 0 "[ . 1 . 2]" 1
594 1 43 PRO HD2 1 44 ALA H 4.860 . 4.860 3.811 3.438 4.199 . 0 0 "[ . 1 . 2]" 1
595 1 43 PRO HD3 1 44 ALA H 4.860 . 4.860 4.501 4.325 4.705 . 0 0 "[ . 1 . 2]" 1
596 1 44 ALA H 1 44 ALA MB 2.700 . 2.700 2.361 2.253 2.491 . 0 0 "[ . 1 . 2]" 1
597 1 44 ALA H 1 45 PRO QD 4.280 . 4.280 4.327 4.176 4.410 0.130 13 0 "[ . 1 . 2]" 1
598 1 44 ALA H 1 47 CYS HB2 5.500 . 5.500 4.756 4.244 5.384 . 0 0 "[ . 1 . 2]" 1
599 1 44 ALA H 1 47 CYS HB3 5.310 . 5.310 3.847 3.691 4.100 . 0 0 "[ . 1 . 2]" 1
600 1 44 ALA HA 1 45 PRO HD2 3.080 . 3.080 2.372 2.187 2.928 . 0 0 "[ . 1 . 2]" 1
601 1 44 ALA HA 1 45 PRO HD3 3.080 . 3.080 2.190 1.831 2.293 . 0 0 "[ . 1 . 2]" 1
602 1 44 ALA HA 1 46 ASP H 3.960 . 3.960 4.004 3.845 4.081 0.121 14 0 "[ . 1 . 2]" 1
603 1 44 ALA HA 1 47 CYS H 5.130 . 5.130 4.484 4.399 4.567 . 0 0 "[ . 1 . 2]" 1
604 1 44 ALA HA 1 47 CYS HB3 5.430 . 5.430 4.959 4.650 5.357 . 0 0 "[ . 1 . 2]" 1
605 1 44 ALA MB 1 45 PRO HD2 3.930 . 3.930 2.794 2.662 3.086 . 0 0 "[ . 1 . 2]" 1
606 1 44 ALA MB 1 45 PRO QD 3.450 . 3.450 2.703 2.585 2.803 . 0 0 "[ . 1 . 2]" 1
607 1 44 ALA MB 1 45 PRO HD3 3.930 . 3.930 3.626 3.216 3.762 . 0 0 "[ . 1 . 2]" 1
608 1 44 ALA MB 1 46 ASP H 3.570 . 3.570 3.088 2.811 3.192 . 0 0 "[ . 1 . 2]" 1
609 1 44 ALA MB 1 46 ASP QB 5.240 . 5.240 3.908 3.660 4.803 . 0 0 "[ . 1 . 2]" 1
610 1 44 ALA MB 1 47 CYS H 3.600 . 3.600 2.729 2.605 2.845 . 0 0 "[ . 1 . 2]" 1
611 1 44 ALA MB 1 47 CYS HA 5.350 . 5.350 4.205 4.154 4.275 . 0 0 "[ . 1 . 2]" 1
612 1 44 ALA MB 1 47 CYS HB2 3.390 . 3.390 2.228 1.952 2.643 . 0 0 "[ . 1 . 2]" 1
613 1 44 ALA MB 1 47 CYS HB3 3.340 . 3.340 2.190 1.899 2.577 . 0 0 "[ . 1 . 2]" 1
614 1 44 ALA MB 1 49 CYS H 5.500 . 5.500 5.475 5.337 5.558 0.058 13 0 "[ . 1 . 2]" 1
615 1 45 PRO HA 1 47 CYS H 4.650 . 4.650 4.006 3.878 4.167 . 0 0 "[ . 1 . 2]" 1
616 1 45 PRO HA 1 47 CYS HB3 5.500 . 5.500 5.604 5.531 5.763 0.263 14 0 "[ . 1 . 2]" 1
617 1 45 PRO QB 1 46 ASP H 4.040 . 4.040 3.284 2.949 3.638 . 0 0 "[ . 1 . 2]" 1
618 1 45 PRO QD 1 46 ASP H 3.550 . 3.550 2.470 1.994 2.648 . 0 0 "[ . 1 . 2]" 1
619 1 45 PRO QD 1 46 ASP QB 5.180 . 5.180 3.903 3.304 4.482 . 0 0 "[ . 1 . 2]" 1
620 1 45 PRO QD 1 47 CYS H 5.350 . 5.350 3.966 3.720 4.144 . 0 0 "[ . 1 . 2]" 1
621 1 45 PRO HD2 1 46 ASP H 4.270 . 4.270 2.505 2.006 2.694 . 0 0 "[ . 1 . 2]" 1
622 1 45 PRO HD3 1 46 ASP H 4.270 . 4.270 3.776 3.462 3.896 . 0 0 "[ . 1 . 2]" 1
623 1 45 PRO QG 1 46 ASP H 3.390 . 3.390 2.532 2.291 3.420 0.030 3 0 "[ . 1 . 2]" 1
624 1 45 PRO QG 1 46 ASP QB 5.180 . 5.180 3.480 3.176 4.291 . 0 0 "[ . 1 . 2]" 1
625 1 46 ASP H 1 46 ASP QB 2.960 . 2.960 2.388 2.251 2.748 . 0 0 "[ . 1 . 2]" 1
626 1 46 ASP H 1 47 CYS H 3.190 . 3.190 2.283 2.037 2.404 . 0 0 "[ . 1 . 2]" 1
627 1 46 ASP HA 1 48 HIS HD2 5.080 . 5.080 4.010 3.497 4.527 . 0 0 "[ . 1 . 2]" 1
628 1 46 ASP HA 1 48 HIS HE1 5.500 . 5.500 5.539 5.104 5.614 0.114 4 0 "[ . 1 . 2]" 1
629 1 47 CYS H 1 47 CYS HB2 3.320 . 3.320 2.485 2.311 2.691 . 0 0 "[ . 1 . 2]" 1
630 1 47 CYS H 1 47 CYS HB3 3.330 . 3.330 2.683 2.497 2.857 . 0 0 "[ . 1 . 2]" 1
631 1 47 CYS HA 1 48 HIS HD2 4.000 . 4.000 3.400 3.250 3.609 . 0 0 "[ . 1 . 2]" 1
632 1 47 CYS HA 1 49 CYS H 5.040 . 5.040 4.476 4.123 5.040 . 0 0 "[ . 1 . 2]" 1
633 1 47 CYS HB3 1 48 HIS HD2 5.500 . 5.500 5.536 5.368 5.593 0.093 10 0 "[ . 1 . 2]" 1
634 1 47 CYS HB3 1 49 CYS H 5.500 . 5.500 3.846 3.381 4.571 . 0 0 "[ . 1 . 2]" 1
635 1 48 HIS HA 1 49 CYS H 3.350 . 3.350 2.704 2.276 3.034 . 0 0 "[ . 1 . 2]" 1
636 1 48 HIS QB 1 48 HIS HD2 2.980 . 2.980 2.793 2.753 2.836 . 0 0 "[ . 1 . 2]" 1
637 1 48 HIS QB 1 48 HIS HE1 4.450 . 4.450 4.425 4.412 4.444 . 0 0 "[ . 1 . 2]" 1
638 1 48 HIS QB 1 49 CYS H 5.500 . 5.500 3.866 3.744 3.922 . 0 0 "[ . 1 . 2]" 1
639 1 49 CYS H 1 49 CYS HB2 3.710 . 3.710 3.634 3.583 3.726 0.016 1 0 "[ . 1 . 2]" 1
640 1 49 CYS H 1 49 CYS HB3 3.280 . 3.280 2.822 2.591 3.101 . 0 0 "[ . 1 . 2]" 1
641 1 49 CYS H 1 50 GLU H 4.490 . 4.490 4.472 4.315 4.572 0.082 13 0 "[ . 1 . 2]" 1
642 1 49 CYS H 1 50 GLU QB 4.820 . 4.820 4.767 4.505 4.896 0.076 15 0 "[ . 1 . 2]" 1
643 1 49 CYS H 1 50 GLU QG 4.960 . 4.960 4.577 4.181 4.887 . 0 0 "[ . 1 . 2]" 1
644 1 49 CYS HA 1 50 GLU HA 5.130 . 5.130 4.450 4.373 4.594 . 0 0 "[ . 1 . 2]" 1
645 1 49 CYS HA 1 51 ARG H 4.300 . 4.300 3.667 3.338 3.959 . 0 0 "[ . 1 . 2]" 1
646 1 49 CYS HA 1 52 SER H 5.500 . 5.500 5.113 3.670 5.657 0.157 14 0 "[ . 1 . 2]" 1
647 1 49 CYS HB2 1 50 GLU QG 5.270 . 5.270 5.104 4.914 5.249 . 0 0 "[ . 1 . 2]" 1
648 1 50 GLU H 1 50 GLU QB 3.590 . 3.590 3.356 3.229 3.417 . 0 0 "[ . 1 . 2]" 1
649 1 50 GLU H 1 50 GLU HG2 4.360 . 4.360 2.834 2.296 4.027 . 0 0 "[ . 1 . 2]" 1
650 1 50 GLU H 1 50 GLU HG3 4.360 . 4.360 3.342 2.606 3.708 . 0 0 "[ . 1 . 2]" 1
651 1 50 GLU H 1 51 ARG H 3.200 . 3.200 1.858 1.657 2.130 . 0 0 "[ . 1 . 2]" 1
652 1 50 GLU HA 1 51 ARG QG 5.500 . 5.500 4.909 4.216 5.402 . 0 0 "[ . 1 . 2]" 1
653 1 50 GLU QB 1 51 ARG H 3.890 . 3.890 3.505 3.231 3.977 0.087 9 0 "[ . 1 . 2]" 1
654 1 50 GLU QG 1 51 ARG H 3.980 . 3.980 2.383 1.796 3.497 . 0 0 "[ . 1 . 2]" 1
655 1 50 GLU QG 1 52 SER H 5.340 . 5.340 4.634 3.975 5.284 . 0 0 "[ . 1 . 2]" 1
656 1 50 GLU HG2 1 51 ARG H 4.800 . 4.800 2.969 2.368 4.055 . 0 0 "[ . 1 . 2]" 1
657 1 50 GLU HG3 1 51 ARG H 4.800 . 4.800 2.578 1.824 3.900 . 0 0 "[ . 1 . 2]" 1
658 1 51 ARG H 1 51 ARG QB 2.760 . 2.760 2.664 2.366 2.951 0.191 20 0 "[ . 1 . 2]" 1
659 1 51 ARG H 1 51 ARG QD 4.130 . 4.130 3.794 2.706 4.305 0.175 16 0 "[ . 1 . 2]" 1
660 1 51 ARG H 1 51 ARG QG 3.030 . 3.030 2.300 1.680 2.936 . 0 0 "[ . 1 . 2]" 1
661 1 51 ARG H 1 52 SER H 3.530 . 3.530 2.835 1.829 3.547 0.017 5 0 "[ . 1 . 2]" 1
662 1 51 ARG H 1 52 SER QB 5.500 . 5.500 4.480 3.794 5.131 . 0 0 "[ . 1 . 2]" 1
663 1 51 ARG HA 1 51 ARG QD 4.670 . 4.670 3.831 1.910 4.571 . 0 0 "[ . 1 . 2]" 1
664 1 51 ARG HA 1 51 ARG QG 3.500 . 3.500 3.040 2.398 3.381 . 0 0 "[ . 1 . 2]" 1
665 1 51 ARG HA 1 52 SER H 3.020 . 3.020 2.845 2.387 3.268 0.248 20 0 "[ . 1 . 2]" 1
666 1 51 ARG QB 1 52 SER H 4.440 . 4.440 3.871 3.244 4.029 . 0 0 "[ . 1 . 2]" 1
667 1 51 ARG QB 1 52 SER QB 5.340 . 5.340 5.052 4.030 5.600 0.260 2 0 "[ . 1 . 2]" 1
668 1 51 ARG HB2 1 51 ARG QD 3.650 . 3.650 2.752 2.137 3.396 . 0 0 "[ . 1 . 2]" 1
669 1 51 ARG HB2 1 52 SER H 5.210 . 5.210 4.276 3.385 4.439 . 0 0 "[ . 1 . 2]" 1
670 1 51 ARG HB3 1 51 ARG QD 3.650 . 3.650 2.550 2.212 3.048 . 0 0 "[ . 1 . 2]" 1
671 1 51 ARG HB3 1 52 SER H 5.210 . 5.210 4.442 4.157 4.640 . 0 0 "[ . 1 . 2]" 1
672 1 51 ARG QG 1 52 SER H 4.660 . 4.660 3.998 2.705 4.768 0.108 5 0 "[ . 1 . 2]" 1
673 1 52 SER H 1 52 SER QB 3.180 . 3.180 2.560 2.254 3.374 0.194 20 0 "[ . 1 . 2]" 1
674 1 52 SER H 1 53 GLY H 4.910 . 4.910 3.797 2.413 4.617 . 0 0 "[ . 1 . 2]" 1
675 1 52 SER HA 1 53 GLY H 3.540 . 3.540 2.605 2.114 3.554 0.014 17 0 "[ . 1 . 2]" 1
676 1 52 SER HA 1 53 GLY QA 4.670 . 4.670 4.048 3.858 4.438 . 0 0 "[ . 1 . 2]" 1
677 1 52 SER HA 1 55 VAL QG 5.320 . 5.320 4.554 2.352 5.383 0.063 2 0 "[ . 1 . 2]" 1
678 1 52 SER QB 1 55 VAL QG 5.140 . 5.140 3.480 2.631 4.445 . 0 0 "[ . 1 . 2]" 1
679 1 53 GLY H 1 54 LYS H 5.320 . 5.320 3.401 1.999 4.593 . 0 0 "[ . 1 . 2]" 1
680 1 53 GLY QA 1 54 LYS HA 3.960 . 3.960 3.951 3.880 4.047 0.087 5 0 "[ . 1 . 2]" 1
681 1 53 GLY QA 1 54 LYS QB 5.180 . 5.180 4.145 3.512 4.467 . 0 0 "[ . 1 . 2]" 1
682 1 53 GLY QA 1 54 LYS QD 5.340 . 5.340 4.554 2.709 5.612 0.272 3 0 "[ . 1 . 2]" 1
683 1 53 GLY HA2 1 54 LYS HA 4.750 . 4.750 4.494 4.254 4.617 . 0 0 "[ . 1 . 2]" 1
684 1 53 GLY HA3 1 54 LYS HA 4.750 . 4.750 4.392 4.240 4.688 . 0 0 "[ . 1 . 2]" 1
685 1 54 LYS H 1 54 LYS QB 3.440 . 3.440 2.594 2.150 3.231 . 0 0 "[ . 1 . 2]" 1
686 1 54 LYS H 1 54 LYS QG 3.840 . 3.840 2.817 2.129 4.089 0.249 11 0 "[ . 1 . 2]" 1
687 1 54 LYS H 1 55 VAL QG 5.380 . 5.380 4.230 3.161 5.107 . 0 0 "[ . 1 . 2]" 1
688 1 54 LYS HA 1 54 LYS QD 4.420 . 4.420 3.548 2.078 4.484 0.064 6 0 "[ . 1 . 2]" 1
689 1 54 LYS HA 1 54 LYS QG 3.480 . 3.480 2.805 2.306 3.501 0.021 8 0 "[ . 1 . 2]" 1
690 1 54 LYS HA 1 55 VAL H 2.920 . 2.920 2.225 2.117 2.808 . 0 0 "[ . 1 . 2]" 1
691 1 54 LYS HA 1 55 VAL HB 5.050 . 5.050 4.785 4.558 5.124 0.074 1 0 "[ . 1 . 2]" 1
692 1 54 LYS HA 1 55 VAL QG 4.440 . 4.440 3.739 3.405 4.376 . 0 0 "[ . 1 . 2]" 1
693 1 55 VAL H 1 55 VAL HB 3.170 . 3.170 2.701 2.480 3.275 0.105 10 0 "[ . 1 . 2]" 1
694 1 55 VAL H 1 55 VAL QG 3.070 . 3.070 2.271 1.966 2.832 . 0 0 "[ . 1 . 2]" 1
695 1 55 VAL H 1 56 GLY H 5.500 . 5.500 3.464 1.835 4.573 . 0 0 "[ . 1 . 2]" 1
696 1 55 VAL HA 1 55 VAL QG 3.180 . 3.180 2.171 2.124 2.342 . 0 0 "[ . 1 . 2]" 1
697 1 55 VAL HB 1 56 GLY H 4.490 . 4.490 3.454 2.182 4.438 . 0 0 "[ . 1 . 2]" 1
698 1 55 VAL HB 1 56 GLY QA 5.360 . 5.360 4.399 3.684 5.365 0.005 19 0 "[ . 1 . 2]" 1
699 1 55 VAL QG 1 56 GLY H 4.360 . 4.360 2.710 1.567 3.398 . 0 0 "[ . 1 . 2]" 1
700 1 55 VAL QG 1 56 GLY QA 4.050 . 4.050 3.280 2.852 3.767 . 0 0 "[ . 1 . 2]" 1
701 1 55 VAL QG 1 57 GLY H 5.440 . 5.440 4.108 1.677 5.533 0.093 14 0 "[ . 1 . 2]" 1
702 1 55 VAL MG1 1 56 GLY H 5.130 . 5.130 2.960 1.568 3.821 . 0 0 "[ . 1 . 2]" 1
703 1 55 VAL MG2 1 56 GLY H 5.130 . 5.130 3.754 2.067 4.311 . 0 0 "[ . 1 . 2]" 1
704 1 56 GLY QA 1 57 GLY H 3.390 . 3.390 2.421 2.112 2.890 . 0 0 "[ . 1 . 2]" 1
705 1 57 GLY QA 1 58 ARG H 3.390 . 3.390 2.282 2.110 2.924 . 0 0 "[ . 1 . 2]" 1
706 1 58 ARG H 1 58 ARG QB 3.530 . 3.530 2.635 2.281 3.322 . 0 0 "[ . 1 . 2]" 1
707 1 58 ARG H 1 58 ARG QD 5.500 . 5.500 4.688 3.663 5.462 . 0 0 "[ . 1 . 2]" 1
708 1 58 ARG H 1 58 ARG QG 4.150 . 4.150 3.631 2.051 4.214 0.064 2 0 "[ . 1 . 2]" 1
709 1 58 ARG HA 1 58 ARG QD 4.410 . 4.410 3.807 1.921 4.534 0.124 1 0 "[ . 1 . 2]" 1
710 1 58 ARG QB 1 58 ARG QD 3.410 . 3.410 2.315 2.129 2.712 . 0 0 "[ . 1 . 2]" 1
711 1 58 ARG QB 1 58 ARG QG 2.420 . 2.420 2.072 2.000 2.096 . 0 0 "[ . 1 . 2]" 1
712 1 58 ARG QG 1 59 ASP H 4.690 . 4.690 3.623 2.702 4.424 . 0 0 "[ . 1 . 2]" 1
713 1 58 ARG QG 1 59 ASP QB 5.340 . 5.340 4.425 2.368 5.401 0.061 15 0 "[ . 1 . 2]" 1
714 1 59 ASP H 1 59 ASP HB2 3.890 . 3.890 3.072 2.314 3.960 0.070 11 0 "[ . 1 . 2]" 1
715 1 59 ASP H 1 59 ASP QB 3.360 . 3.360 2.717 2.286 3.238 . 0 0 "[ . 1 . 2]" 1
716 1 59 ASP H 1 59 ASP HB3 3.890 . 3.890 3.290 2.503 3.838 . 0 0 "[ . 1 . 2]" 1
717 1 59 ASP H 1 61 THR H 5.500 . 5.500 5.051 3.940 5.696 0.196 19 0 "[ . 1 . 2]" 1
718 1 59 ASP HA 1 60 ILE H 2.720 . 2.720 2.417 2.119 2.818 0.098 6 0 "[ . 1 . 2]" 1
719 1 59 ASP QB 1 61 THR H 4.030 . 4.030 3.903 2.772 4.340 0.310 16 0 "[ . 1 . 2]" 1
720 1 59 ASP QB 1 61 THR HA 5.340 . 5.340 4.858 3.910 5.423 0.083 3 0 "[ . 1 . 2]" 1
721 1 59 ASP QB 1 61 THR MG 5.340 . 5.340 3.813 2.214 5.410 0.070 20 0 "[ . 1 . 2]" 1
722 1 59 ASP HB2 1 60 ILE H 4.040 . 4.040 3.556 2.301 4.121 0.081 8 0 "[ . 1 . 2]" 1
723 1 59 ASP HB3 1 60 ILE H 4.040 . 4.040 3.256 2.101 4.116 0.076 12 0 "[ . 1 . 2]" 1
724 1 60 ILE H 1 60 ILE HB 3.040 . 3.040 2.619 2.536 2.747 . 0 0 "[ . 1 . 2]" 1
725 1 60 ILE H 1 60 ILE HG12 3.680 . 3.680 3.042 2.169 3.756 0.076 11 0 "[ . 1 . 2]" 1
726 1 60 ILE H 1 60 ILE QG 3.110 . 3.110 2.296 2.098 2.619 . 0 0 "[ . 1 . 2]" 1
727 1 60 ILE H 1 60 ILE HG13 3.680 . 3.680 2.898 2.121 3.891 0.211 12 0 "[ . 1 . 2]" 1
728 1 60 ILE H 1 61 THR H 3.950 . 3.950 3.775 3.004 4.035 0.085 13 0 "[ . 1 . 2]" 1
729 1 60 ILE HA 1 60 ILE MG 3.320 . 3.320 2.352 2.286 2.426 . 0 0 "[ . 1 . 2]" 1
730 1 60 ILE HA 1 61 THR H 2.850 . 2.850 2.332 2.163 2.778 . 0 0 "[ . 1 . 2]" 1
731 1 60 ILE HB 1 61 THR H 4.630 . 4.630 4.422 4.213 4.487 . 0 0 "[ . 1 . 2]" 1
732 1 60 ILE MG 1 61 THR H 4.150 . 4.150 3.670 3.399 4.182 0.032 20 0 "[ . 1 . 2]" 1
733 1 61 THR H 1 61 THR MG 3.810 . 3.810 3.160 2.029 3.896 0.086 20 0 "[ . 1 . 2]" 1
734 1 61 THR H 1 62 ASN H 4.360 . 4.360 3.503 2.142 4.452 0.092 10 0 "[ . 1 . 2]" 1
735 1 61 THR HA 1 61 THR MG 3.440 . 3.440 2.477 2.211 3.226 . 0 0 "[ . 1 . 2]" 1
736 1 61 THR HA 1 62 ASN HA 5.370 . 5.370 4.710 4.326 5.376 0.006 8 0 "[ . 1 . 2]" 1
737 1 61 THR MG 1 62 ASN H 5.500 . 5.500 3.650 1.973 4.372 . 0 0 "[ . 1 . 2]" 1
738 1 62 ASN HA 1 62 ASN HD21 2.910 . 2.910 2.506 1.746 2.917 0.007 2 0 "[ . 1 . 2]" 1
739 1 62 ASN HA 1 62 ASN HD22 3.910 . 3.910 3.702 3.370 3.934 0.024 20 0 "[ . 1 . 2]" 1
740 1 62 ASN HA 1 63 ASN H 3.190 . 3.190 2.478 2.141 2.965 . 0 0 "[ . 1 . 2]" 1
741 1 63 ASN H 1 64 GLN H 4.700 . 4.700 4.153 3.140 4.574 . 0 0 "[ . 1 . 2]" 1
742 1 63 ASN HA 1 63 ASN QD 2.840 . 2.840 2.480 1.721 3.326 0.486 12 0 "[ . 1 . 2]" 1
743 1 63 ASN HA 1 64 GLN H 2.530 . 2.530 2.140 2.061 2.263 . 0 0 "[ . 1 . 2]" 1
744 1 63 ASN HA 1 65 LEU H 3.510 . 3.510 3.474 3.124 3.692 0.182 6 0 "[ . 1 . 2]" 1
745 1 63 ASN HB3 1 65 LEU H 5.410 . 5.410 3.310 2.025 4.916 . 0 0 "[ . 1 . 2]" 1
746 1 63 ASN HB3 1 65 LEU QB 5.500 . 5.500 4.462 2.986 5.570 0.070 12 0 "[ . 1 . 2]" 1
747 1 63 ASN HB3 1 65 LEU HG 5.500 . 5.500 4.553 2.561 5.639 0.139 16 0 "[ . 1 . 2]" 1
748 1 63 ASN QD 1 64 GLN QG 5.340 . 5.340 5.122 4.053 5.598 0.258 17 0 "[ . 1 . 2]" 1
749 1 63 ASN QD 1 65 LEU QD 4.470 . 4.470 3.532 2.055 4.536 0.066 20 0 "[ . 1 . 2]" 1
750 1 63 ASN QD 1 65 LEU HG 5.340 . 5.340 4.651 3.177 5.469 0.129 18 0 "[ . 1 . 2]" 1
751 1 63 ASN HD21 1 64 GLN H 5.500 . 5.500 3.716 2.533 4.240 . 0 0 "[ . 1 . 2]" 1
752 1 63 ASN HD22 1 64 GLN H 5.500 . 5.500 5.008 3.636 5.680 0.180 15 0 "[ . 1 . 2]" 1
753 1 64 GLN H 1 64 GLN HB2 4.110 . 4.110 3.034 2.387 3.717 . 0 0 "[ . 1 . 2]" 1
754 1 64 GLN H 1 64 GLN QB 3.380 . 3.380 2.587 2.333 3.141 . 0 0 "[ . 1 . 2]" 1
755 1 64 GLN H 1 64 GLN HB3 4.110 . 4.110 3.238 2.563 3.765 . 0 0 "[ . 1 . 2]" 1
756 1 64 GLN H 1 64 GLN QE 5.340 . 5.340 3.914 2.152 5.173 . 0 0 "[ . 1 . 2]" 1
757 1 64 GLN H 1 64 GLN QG 4.080 . 4.080 2.479 1.937 4.030 . 0 0 "[ . 1 . 2]" 1
758 1 64 GLN HA 1 64 GLN QG 3.890 . 3.890 2.960 2.376 3.496 . 0 0 "[ . 1 . 2]" 1
759 1 64 GLN HA 1 65 LEU QD 4.590 . 4.590 4.196 3.158 4.703 0.113 19 0 "[ . 1 . 2]" 1
760 1 64 GLN HB2 1 65 LEU H 4.180 . 4.180 3.634 2.689 4.226 0.046 18 0 "[ . 1 . 2]" 1
761 1 64 GLN HB3 1 65 LEU H 4.180 . 4.180 4.085 3.358 4.340 0.160 12 0 "[ . 1 . 2]" 1
762 1 64 GLN QE 1 65 LEU QD 5.270 . 5.270 4.617 3.151 5.467 0.197 15 0 "[ . 1 . 2]" 1
763 1 64 GLN QG 1 65 LEU H 4.610 . 4.610 3.524 2.033 4.582 . 0 0 "[ . 1 . 2]" 1
764 1 65 LEU H 1 65 LEU HA 2.930 . 2.930 2.656 2.248 2.938 0.008 12 0 "[ . 1 . 2]" 1
765 1 65 LEU H 1 65 LEU QB 3.390 . 3.390 2.899 2.233 3.397 0.007 17 0 "[ . 1 . 2]" 1
766 1 65 LEU H 1 65 LEU QD 4.260 . 4.260 2.617 1.731 3.185 . 0 0 "[ . 1 . 2]" 1
767 1 65 LEU HA 1 65 LEU QD 3.210 . 3.210 2.330 1.928 3.355 0.145 14 0 "[ . 1 . 2]" 1
768 1 65 LEU HA 1 66 ASP H 2.660 . 2.660 2.394 2.127 2.700 0.040 5 0 "[ . 1 . 2]" 1
769 1 65 LEU QB 1 66 ASP H 3.350 . 3.350 2.535 1.726 3.466 0.116 4 0 "[ . 1 . 2]" 1
770 1 65 LEU QB 1 66 ASP QB 5.340 . 5.340 4.306 3.275 5.093 . 0 0 "[ . 1 . 2]" 1
771 1 65 LEU QD 1 66 ASP H 4.090 . 4.090 3.507 2.738 4.183 0.093 2 0 "[ . 1 . 2]" 1
772 1 66 ASP H 1 66 ASP QB 3.620 . 3.620 2.788 2.376 3.347 . 0 0 "[ . 1 . 2]" 1
773 1 66 ASP HA 1 67 GLU H 3.210 . 3.210 2.397 2.080 3.422 0.212 7 0 "[ . 1 . 2]" 1
774 1 66 ASP QB 1 67 GLU H 4.220 . 4.220 3.613 1.960 4.042 . 0 0 "[ . 1 . 2]" 1
775 1 67 GLU H 1 67 GLU QB 3.100 . 3.100 2.650 2.407 3.208 0.108 16 0 "[ . 1 . 2]" 1
776 1 67 GLU H 1 67 GLU QG 4.290 . 4.290 3.021 2.050 4.182 . 0 0 "[ . 1 . 2]" 1
777 1 67 GLU QG 1 68 ALA H 5.410 . 5.410 3.941 2.329 4.917 . 0 0 "[ . 1 . 2]" 1
778 1 68 ALA H 1 68 ALA MB 3.490 . 3.490 2.497 2.227 2.930 . 0 0 "[ . 1 . 2]" 1
779 1 68 ALA H 1 69 LEU QD 5.440 . 5.440 4.228 1.895 5.471 0.031 15 0 "[ . 1 . 2]" 1
780 1 68 ALA H 1 69 LEU HG 5.500 . 5.500 4.506 2.842 5.597 0.097 1 0 "[ . 1 . 2]" 1
781 1 68 ALA HA 1 69 LEU H 3.140 . 3.140 2.488 2.110 3.244 0.104 7 0 "[ . 1 . 2]" 1
782 1 68 ALA MB 1 69 LEU H 4.330 . 4.330 3.211 1.956 3.688 . 0 0 "[ . 1 . 2]" 1
783 1 69 LEU QB 1 69 LEU HG 2.400 . 2.400 2.397 2.347 2.495 0.095 12 0 "[ . 1 . 2]" 1
784 1 70 GLU H 1 71 GLU H 3.280 . 3.280 2.731 1.937 3.452 0.172 2 0 "[ . 1 . 2]" 1
785 1 70 GLU QB 1 70 GLU QG 2.410 . 2.410 2.050 1.989 2.092 . 0 0 "[ . 1 . 2]" 1
786 1 70 GLU HB2 1 70 GLU QG 2.780 . 2.780 2.312 2.148 2.425 . 0 0 "[ . 1 . 2]" 1
787 1 70 GLU HB3 1 70 GLU QG 2.780 . 2.780 2.307 2.150 2.427 . 0 0 "[ . 1 . 2]" 1
788 1 70 GLU QG 1 71 GLU H 5.500 . 5.500 4.153 3.573 4.770 . 0 0 "[ . 1 . 2]" 1
789 1 71 GLU H 1 71 GLU QB 3.360 . 3.360 2.671 2.159 3.377 0.017 3 0 "[ . 1 . 2]" 1
790 1 71 GLU H 1 72 THR H 3.610 . 3.610 3.260 1.991 4.090 0.480 16 0 "[ . 1 . 2]" 1
791 1 71 GLU H 1 72 THR MG 5.500 . 5.500 4.057 3.258 5.471 . 0 0 "[ . 1 . 2]" 1
792 1 71 GLU HA 1 72 THR H 3.200 . 3.200 2.504 2.107 3.201 0.001 18 0 "[ . 1 . 2]" 1
793 1 71 GLU QB 1 72 THR H 4.090 . 4.090 3.865 3.428 4.021 . 0 0 "[ . 1 . 2]" 1
794 1 71 GLU QG 1 72 THR H 5.160 . 5.160 4.141 3.308 4.727 . 0 0 "[ . 1 . 2]" 1
795 1 72 THR H 1 72 THR HB 3.790 . 3.790 3.373 2.687 3.737 . 0 0 "[ . 1 . 2]" 1
796 1 72 THR H 1 72 THR MG 4.000 . 4.000 2.635 1.864 3.723 . 0 0 "[ . 1 . 2]" 1
797 1 72 THR HA 1 72 THR HB 2.530 . 2.530 2.554 2.379 2.948 0.418 2 0 "[ . 1 . 2]" 1
798 1 72 THR HA 1 73 PHE H 2.810 . 2.810 2.300 2.089 2.704 . 0 0 "[ . 1 . 2]" 1
799 1 72 THR HA 1 73 PHE QD 4.420 . 4.420 3.807 3.163 4.455 0.035 10 0 "[ . 1 . 2]" 1
800 1 72 THR HB 1 73 PHE H 3.650 . 3.650 3.376 1.944 3.843 0.193 7 0 "[ . 1 . 2]" 1
801 1 72 THR MG 1 73 PHE H 4.620 . 4.620 3.463 2.357 3.929 . 0 0 "[ . 1 . 2]" 1
802 1 73 PHE H 1 73 PHE QD 3.950 . 3.950 2.896 1.856 3.590 . 0 0 "[ . 1 . 2]" 1
803 1 73 PHE HA 1 73 PHE QD 4.380 . 4.380 2.977 2.466 3.742 . 0 0 "[ . 1 . 2]" 1
804 1 74 PRO HA 1 75 ALA H 3.500 . 3.500 2.538 2.287 2.923 . 0 0 "[ . 1 . 2]" 1
805 1 74 PRO HA 1 75 ALA MB 5.500 . 5.500 4.234 4.094 4.511 . 0 0 "[ . 1 . 2]" 1
806 1 74 PRO QB 1 75 ALA H 3.930 . 3.930 2.341 1.716 2.874 . 0 0 "[ . 1 . 2]" 1
807 1 74 PRO QB 1 77 ASP HA 5.340 . 5.340 4.510 3.728 5.229 . 0 0 "[ . 1 . 2]" 1
808 1 74 PRO HD2 1 77 ASP HA 3.800 . 3.800 3.213 2.591 3.888 0.088 5 0 "[ . 1 . 2]" 1
809 1 74 PRO HD2 1 77 ASP QB 4.660 . 4.660 3.429 2.232 4.041 . 0 0 "[ . 1 . 2]" 1
810 1 74 PRO HD3 1 77 ASP QB 5.340 . 5.340 4.763 3.795 5.472 0.132 5 0 "[ . 1 . 2]" 1
811 1 74 PRO QG 1 77 ASP HA 5.500 . 5.500 3.357 2.328 4.657 . 0 0 "[ . 1 . 2]" 1
812 1 74 PRO QG 1 77 ASP QB 5.340 . 5.340 4.259 2.586 5.419 0.079 18 0 "[ . 1 . 2]" 1
813 1 75 ALA H 1 75 ALA HA 2.770 . 2.770 2.808 2.763 2.858 0.088 1 0 "[ . 1 . 2]" 1
814 1 75 ALA H 1 75 ALA MB 3.350 . 3.350 2.236 2.220 2.261 . 0 0 "[ . 1 . 2]" 1
815 1 75 ALA MB 1 76 SER H 4.720 . 4.720 2.655 2.311 3.330 . 0 0 "[ . 1 . 2]" 1
816 1 77 ASP H 1 77 ASP QB 3.370 . 3.370 2.585 2.233 2.760 . 0 0 "[ . 1 . 2]" 1
817 1 78 PRO HA 1 79 ILE HA 4.390 . 4.390 4.337 4.284 4.389 . 0 0 "[ . 1 . 2]" 1
818 1 78 PRO HA 1 79 ILE QG 5.340 . 5.340 3.905 3.532 4.744 . 0 0 "[ . 1 . 2]" 1
819 1 79 ILE H 1 79 ILE HB 3.640 . 3.640 2.973 2.424 3.676 0.036 19 0 "[ . 1 . 2]" 1
820 1 79 ILE HA 1 80 SER H 3.190 . 3.190 2.164 2.072 2.329 . 0 0 "[ . 1 . 2]" 1
821 1 79 ILE HA 1 80 SER QB 4.340 . 4.340 4.393 4.074 4.512 0.172 18 0 "[ . 1 . 2]" 1
822 1 79 ILE QG 1 79 ILE MG 3.160 . 3.160 2.259 2.086 2.348 . 0 0 "[ . 1 . 2]" 1
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