NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
568016 |
2m05   |
18794 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m05
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 1056
_Distance_constraint_stats_list.Viol_count 4743
_Distance_constraint_stats_list.Viol_total 3785.401
_Distance_constraint_stats_list.Viol_max 0.161
_Distance_constraint_stats_list.Viol_rms 0.0221
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0090
_Distance_constraint_stats_list.Viol_average_violations_only 0.0399
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.001 0.000 17 0 "[ . 1 . 2]"
1 3 CYS 2.443 0.099 4 0 "[ . 1 . 2]"
1 4 GLN 3.413 0.072 13 0 "[ . 1 . 2]"
1 5 PHE 4.323 0.126 19 0 "[ . 1 . 2]"
1 6 SER 3.931 0.084 13 0 "[ . 1 . 2]"
1 7 HIS 4.022 0.081 2 0 "[ . 1 . 2]"
1 8 VAL 5.957 0.068 8 0 "[ . 1 . 2]"
1 9 ASN 4.040 0.112 19 0 "[ . 1 . 2]"
1 10 SER 2.837 0.087 11 0 "[ . 1 . 2]"
1 11 ARG 0.165 0.032 6 0 "[ . 1 . 2]"
1 12 ASP 0.746 0.023 4 0 "[ . 1 . 2]"
1 13 GLN 8.398 0.087 11 0 "[ . 1 . 2]"
1 14 CYS 2.430 0.068 19 0 "[ . 1 . 2]"
1 15 ASN 5.207 0.110 5 0 "[ . 1 . 2]"
1 16 ASP 3.991 0.117 10 0 "[ . 1 . 2]"
1 17 TYR 7.235 0.090 10 0 "[ . 1 . 2]"
1 18 GLN 5.972 0.096 7 0 "[ . 1 . 2]"
1 19 HIS 2.199 0.058 9 0 "[ . 1 . 2]"
1 20 TRP 15.342 0.102 15 0 "[ . 1 . 2]"
1 21 LYS 12.588 0.108 19 0 "[ . 1 . 2]"
1 22 ASP 3.180 0.074 9 0 "[ . 1 . 2]"
1 23 GLU 4.109 0.102 15 0 "[ . 1 . 2]"
1 24 ALA 5.951 0.089 4 0 "[ . 1 . 2]"
1 25 GLY 5.354 0.133 15 0 "[ . 1 . 2]"
1 26 LYS 4.136 0.099 17 0 "[ . 1 . 2]"
1 27 GLN 4.572 0.078 7 0 "[ . 1 . 2]"
1 28 CYS 7.230 0.130 13 0 "[ . 1 . 2]"
1 29 LYS 3.361 0.090 11 0 "[ . 1 . 2]"
1 30 THR 1.627 0.067 1 0 "[ . 1 . 2]"
1 31 LYS 4.454 0.100 18 0 "[ . 1 . 2]"
1 32 LYS 2.811 0.088 10 0 "[ . 1 . 2]"
1 33 SER 0.892 0.051 20 0 "[ . 1 . 2]"
1 34 LYS 0.750 0.047 19 0 "[ . 1 . 2]"
1 35 GLY 0.026 0.011 11 0 "[ . 1 . 2]"
1 36 ASN 0.234 0.086 18 0 "[ . 1 . 2]"
1 37 LYS 3.297 0.080 10 0 "[ . 1 . 2]"
1 38 ASP 2.175 0.080 10 0 "[ . 1 . 2]"
1 39 MET 1.216 0.034 19 0 "[ . 1 . 2]"
1 40 ILE 6.099 0.105 20 0 "[ . 1 . 2]"
1 41 VAL 10.902 0.133 15 0 "[ . 1 . 2]"
1 42 ARG 5.763 0.106 13 0 "[ . 1 . 2]"
1 43 SER 3.960 0.149 15 0 "[ . 1 . 2]"
1 44 PHE 16.418 0.114 6 0 "[ . 1 . 2]"
1 45 ALA 8.891 0.161 9 0 "[ . 1 . 2]"
1 46 VAL 8.442 0.100 15 0 "[ . 1 . 2]"
1 47 LEU 18.079 0.140 12 0 "[ . 1 . 2]"
1 48 GLU 7.911 0.131 12 0 "[ . 1 . 2]"
1 49 PRO 4.552 0.100 14 0 "[ . 1 . 2]"
1 50 CYS 4.654 0.092 4 0 "[ . 1 . 2]"
1 51 ALA 1.679 0.051 18 0 "[ . 1 . 2]"
1 52 LEU 2.025 0.110 16 0 "[ . 1 . 2]"
1 53 ASP 0.858 0.110 16 0 "[ . 1 . 2]"
1 54 MET 4.183 0.110 5 0 "[ . 1 . 2]"
1 55 PHE 17.267 0.117 10 0 "[ . 1 . 2]"
1 56 THR 0.174 0.011 1 0 "[ . 1 . 2]"
1 57 GLY 5.163 0.090 1 0 "[ . 1 . 2]"
1 58 VAL 10.749 0.131 12 0 "[ . 1 . 2]"
1 59 GLU 14.335 0.140 12 0 "[ . 1 . 2]"
1 60 PHE 18.491 0.161 9 0 "[ . 1 . 2]"
1 61 VAL 9.972 0.114 6 0 "[ . 1 . 2]"
1 62 CYS 6.360 0.149 15 0 "[ . 1 . 2]"
1 63 CYS 6.156 0.105 20 0 "[ . 1 . 2]"
1 64 PRO 0.016 0.006 17 0 "[ . 1 . 2]"
1 65 ASN 3.600 0.061 19 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 1 GLU HA 1 1 GLU QB 2.280 2.010 2.550 2.380 2.362 2.418 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLU HA 1 1 GLU QG 2.450 . 2.900 2.475 2.320 2.866 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLU QB 1 1 GLU QG 2.200 . 2.400 2.078 2.033 2.108 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA H 1 2 ALA MB 2.420 . 2.840 2.657 2.234 2.840 0.000 17 0 "[ . 1 . 2]" 1
5 1 2 ALA HA 1 3 CYS H 2.280 2.010 2.550 2.493 2.392 2.550 0.000 13 0 "[ . 1 . 2]" 1
6 1 2 ALA MB 1 3 CYS H 2.220 . 2.440 2.222 2.119 2.413 . 0 0 "[ . 1 . 2]" 1
7 1 3 CYS H 1 3 CYS HB2 2.230 . 2.460 2.389 2.378 2.406 . 0 0 "[ . 1 . 2]" 1
8 1 3 CYS H 1 3 CYS HB3 2.870 . 3.740 3.577 3.575 3.579 . 0 0 "[ . 1 . 2]" 1
9 1 3 CYS H 1 4 GLN H 3.390 2.010 4.770 4.647 4.643 4.654 . 0 0 "[ . 1 . 2]" 1
10 1 3 CYS HA 1 3 CYS HB3 2.350 . 2.700 2.538 2.535 2.540 . 0 0 "[ . 1 . 2]" 1
11 1 3 CYS HA 1 4 GLN H 2.200 . 2.400 2.305 2.299 2.315 . 0 0 "[ . 1 . 2]" 1
12 1 3 CYS HA 1 39 MET ME 2.500 . 3.000 2.934 2.912 2.972 . 0 0 "[ . 1 . 2]" 1
13 1 3 CYS HA 1 63 CYS HA 2.200 . 2.400 2.332 2.324 2.340 . 0 0 "[ . 1 . 2]" 1
14 1 3 CYS HA 1 64 PRO HD3 2.200 . 2.400 2.335 2.331 2.340 . 0 0 "[ . 1 . 2]" 1
15 1 3 CYS HB2 1 4 GLN H 2.950 . 3.900 3.917 3.913 3.921 0.021 5 0 "[ . 1 . 2]" 1
16 1 3 CYS HB2 1 63 CYS HA 3.230 . 4.460 4.337 4.321 4.359 . 0 0 "[ . 1 . 2]" 1
17 1 3 CYS HB3 1 4 GLN H 2.350 . 2.700 2.712 2.707 2.717 0.017 5 0 "[ . 1 . 2]" 1
18 1 3 CYS HB3 1 61 VAL MG1 2.300 2.010 2.590 2.683 2.679 2.689 0.099 4 0 "[ . 1 . 2]" 1
19 1 3 CYS HB3 1 63 CYS HA 2.650 . 3.300 3.218 3.198 3.237 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLN H 1 4 GLN QB 2.330 2.010 2.650 2.517 2.499 2.548 . 0 0 "[ . 1 . 2]" 1
21 1 4 GLN H 1 4 GLN QG 2.680 . 3.360 2.892 2.852 2.937 . 0 0 "[ . 1 . 2]" 1
22 1 4 GLN H 1 5 PHE H 3.280 . 4.560 4.489 4.445 4.497 . 0 0 "[ . 1 . 2]" 1
23 1 4 GLN H 1 39 MET ME 2.350 . 2.700 2.713 2.708 2.720 0.020 11 0 "[ . 1 . 2]" 1
24 1 4 GLN H 1 61 VAL MG1 2.750 . 3.500 3.564 3.558 3.572 0.072 15 0 "[ . 1 . 2]" 1
25 1 4 GLN H 1 62 CYS H 2.720 . 3.440 3.433 3.424 3.441 0.001 3 0 "[ . 1 . 2]" 1
26 1 4 GLN H 1 62 CYS HB2 2.660 . 3.320 3.381 3.374 3.392 0.072 13 0 "[ . 1 . 2]" 1
27 1 4 GLN H 1 63 CYS HA 2.660 . 3.320 3.252 3.237 3.266 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLN HA 1 4 GLN QB 2.220 . 2.440 2.390 2.378 2.400 . 0 0 "[ . 1 . 2]" 1
29 1 4 GLN HA 1 4 GLN HG2 2.520 . 3.040 2.452 2.433 2.470 . 0 0 "[ . 1 . 2]" 1
30 1 4 GLN HA 1 4 GLN HG3 2.520 . 3.040 2.939 2.908 2.968 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLN HA 1 5 PHE H 2.210 . 2.420 2.304 2.212 2.321 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLN QB 1 4 GLN HE21 2.790 2.010 3.570 3.466 3.325 3.510 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLN QB 1 4 GLN QG 2.080 . 2.160 2.107 2.107 2.108 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLN QB 1 5 PHE H 2.650 . 3.300 2.643 2.600 2.901 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLN QB 1 39 MET ME 2.390 . 2.780 2.782 2.763 2.791 0.011 12 0 "[ . 1 . 2]" 1
36 1 4 GLN QB 1 62 CYS H 3.080 . 4.160 4.022 3.987 4.124 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLN QB 1 62 CYS HB2 2.500 . 3.000 2.881 2.834 2.961 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLN HE21 1 4 GLN HG2 2.690 . 3.380 3.298 3.272 3.373 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLN HE21 1 4 GLN QG 2.330 . 2.660 2.211 2.210 2.216 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLN HE21 1 4 GLN HG3 2.690 . 3.380 2.247 2.244 2.250 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLN HE21 1 39 MET ME 2.350 . 2.700 2.581 2.486 2.630 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLN HE22 1 4 GLN QG 2.660 . 3.320 3.285 3.281 3.295 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLN HE22 1 39 MET ME 2.850 . 3.700 3.679 3.628 3.705 0.005 8 0 "[ . 1 . 2]" 1
44 1 4 GLN QG 1 5 PHE H 2.990 . 3.980 3.825 3.770 3.949 . 0 0 "[ . 1 . 2]" 1
45 1 5 PHE H 1 5 PHE HB2 2.610 . 3.220 3.072 2.973 3.102 . 0 0 "[ . 1 . 2]" 1
46 1 5 PHE H 1 5 PHE HB3 2.280 2.010 2.550 2.444 2.378 2.464 . 0 0 "[ . 1 . 2]" 1
47 1 5 PHE H 1 5 PHE QD 3.160 2.010 4.310 4.223 4.194 4.232 . 0 0 "[ . 1 . 2]" 1
48 1 5 PHE HA 1 5 PHE HB2 2.200 . 2.400 2.398 2.394 2.401 0.001 19 0 "[ . 1 . 2]" 1
49 1 5 PHE HA 1 5 PHE QD 2.200 . 2.400 2.277 2.270 2.283 . 0 0 "[ . 1 . 2]" 1
50 1 5 PHE HA 1 6 SER H 2.200 . 2.400 2.181 2.176 2.193 . 0 0 "[ . 1 . 2]" 1
51 1 5 PHE HA 1 61 VAL HA 2.280 2.010 2.550 2.351 2.345 2.359 . 0 0 "[ . 1 . 2]" 1
52 1 5 PHE HA 1 61 VAL MG1 2.660 . 3.320 2.920 2.753 2.949 . 0 0 "[ . 1 . 2]" 1
53 1 5 PHE HA 1 61 VAL MG2 2.500 . 3.000 3.028 3.020 3.050 0.050 13 0 "[ . 1 . 2]" 1
54 1 5 PHE HA 1 62 CYS H 2.620 . 3.240 3.007 2.990 3.026 . 0 0 "[ . 1 . 2]" 1
55 1 5 PHE HB2 1 6 SER H 3.100 . 4.200 4.037 4.028 4.045 . 0 0 "[ . 1 . 2]" 1
56 1 5 PHE HB2 1 61 VAL MG2 2.610 . 3.220 2.969 2.918 3.028 . 0 0 "[ . 1 . 2]" 1
57 1 5 PHE QD 1 6 SER H 2.580 . 3.160 2.435 2.382 2.475 . 0 0 "[ . 1 . 2]" 1
58 1 5 PHE QD 1 61 VAL HA 2.820 . 3.640 2.529 2.503 2.575 . 0 0 "[ . 1 . 2]" 1
59 1 5 PHE QD 1 61 VAL MG1 3.030 . 4.060 3.643 3.534 3.669 . 0 0 "[ . 1 . 2]" 1
60 1 5 PHE QD 1 61 VAL MG2 2.350 . 2.700 2.190 2.182 2.204 . 0 0 "[ . 1 . 2]" 1
61 1 5 PHE QE 1 7 HIS HA 3.270 . 4.540 4.356 4.304 4.402 . 0 0 "[ . 1 . 2]" 1
62 1 5 PHE QE 1 7 HIS HB3 2.810 . 3.620 3.141 3.128 3.146 . 0 0 "[ . 1 . 2]" 1
63 1 5 PHE QE 1 59 GLU HA 2.710 . 3.420 3.522 3.496 3.546 0.126 19 0 "[ . 1 . 2]" 1
64 1 5 PHE QE 1 59 GLU HB2 2.470 . 2.940 2.246 2.243 2.251 . 0 0 "[ . 1 . 2]" 1
65 1 5 PHE QE 1 59 GLU HB3 2.920 . 3.840 3.884 3.878 3.887 0.047 7 0 "[ . 1 . 2]" 1
66 1 5 PHE QE 1 59 GLU HG3 2.860 . 3.720 3.686 3.649 3.722 0.002 15 0 "[ . 1 . 2]" 1
67 1 5 PHE QE 1 60 PHE H 2.820 . 3.640 2.620 2.571 2.678 . 0 0 "[ . 1 . 2]" 1
68 1 5 PHE HZ 1 47 LEU MD1 2.920 . 3.840 3.874 3.871 3.879 0.039 3 0 "[ . 1 . 2]" 1
69 1 5 PHE HZ 1 47 LEU MD2 3.050 . 4.100 4.107 4.088 4.115 0.015 14 0 "[ . 1 . 2]" 1
70 1 5 PHE HZ 1 59 GLU HB3 3.040 . 4.080 3.280 3.271 3.288 . 0 0 "[ . 1 . 2]" 1
71 1 6 SER H 1 6 SER HB2 2.580 2.010 3.150 3.169 3.167 3.172 0.022 19 0 "[ . 1 . 2]" 1
72 1 6 SER H 1 6 SER QB 2.360 . 2.720 2.738 2.737 2.739 0.019 12 0 "[ . 1 . 2]" 1
73 1 6 SER H 1 6 SER HB3 2.580 2.010 3.150 2.995 2.991 2.998 . 0 0 "[ . 1 . 2]" 1
74 1 6 SER H 1 7 HIS H 3.090 . 4.180 4.252 4.242 4.261 0.081 2 0 "[ . 1 . 2]" 1
75 1 6 SER H 1 61 VAL HA 2.540 2.010 3.070 2.860 2.816 2.874 . 0 0 "[ . 1 . 2]" 1
76 1 6 SER H 1 61 VAL MG1 3.270 . 4.540 4.438 4.308 4.466 . 0 0 "[ . 1 . 2]" 1
77 1 6 SER H 1 61 VAL MG2 3.010 2.010 4.010 3.928 3.920 3.933 . 0 0 "[ . 1 . 2]" 1
78 1 6 SER H 1 62 CYS H 3.000 . 4.000 4.071 4.065 4.084 0.084 13 0 "[ . 1 . 2]" 1
79 1 6 SER HA 1 6 SER HB2 2.500 . 3.000 2.568 2.565 2.570 . 0 0 "[ . 1 . 2]" 1
80 1 6 SER HA 1 6 SER QB 2.260 2.010 2.510 2.433 2.431 2.435 . 0 0 "[ . 1 . 2]" 1
81 1 6 SER HA 1 6 SER HB3 2.500 . 3.000 3.016 3.015 3.017 0.017 16 0 "[ . 1 . 2]" 1
82 1 6 SER HA 1 7 HIS H 2.200 . 2.400 2.183 2.179 2.189 . 0 0 "[ . 1 . 2]" 1
83 1 7 HIS H 1 7 HIS HB2 2.960 . 3.920 3.857 3.853 3.862 . 0 0 "[ . 1 . 2]" 1
84 1 7 HIS H 1 7 HIS HB3 2.570 2.010 3.130 3.140 3.127 3.145 0.015 5 0 "[ . 1 . 2]" 1
85 1 7 HIS H 1 7 HIS HD2 3.400 . 4.800 4.404 4.379 4.431 . 0 0 "[ . 1 . 2]" 1
86 1 7 HIS H 1 8 VAL H 3.260 2.010 4.510 4.455 4.452 4.460 . 0 0 "[ . 1 . 2]" 1
87 1 7 HIS H 1 60 PHE H 3.420 . 4.840 4.797 4.776 4.814 . 0 0 "[ . 1 . 2]" 1
88 1 7 HIS HA 1 7 HIS HB2 2.280 2.010 2.550 2.416 2.413 2.423 . 0 0 "[ . 1 . 2]" 1
89 1 7 HIS HA 1 7 HIS HB3 2.280 2.010 2.550 2.498 2.493 2.501 . 0 0 "[ . 1 . 2]" 1
90 1 7 HIS HA 1 8 VAL H 2.200 . 2.400 2.340 2.337 2.342 . 0 0 "[ . 1 . 2]" 1
91 1 7 HIS HA 1 59 GLU HA 2.210 . 2.420 2.338 2.337 2.342 . 0 0 "[ . 1 . 2]" 1
92 1 7 HIS HA 1 60 PHE H 2.540 . 3.080 2.798 2.793 2.803 . 0 0 "[ . 1 . 2]" 1
93 1 7 HIS HA 1 60 PHE QD 2.510 . 3.020 3.023 3.013 3.030 0.010 14 0 "[ . 1 . 2]" 1
94 1 7 HIS HA 1 60 PHE QE 2.510 . 3.020 2.626 2.611 2.643 . 0 0 "[ . 1 . 2]" 1
95 1 7 HIS HB2 1 7 HIS HD2 2.500 . 3.000 2.863 2.847 2.875 . 0 0 "[ . 1 . 2]" 1
96 1 7 HIS HB2 1 8 VAL H 2.280 2.010 2.550 2.530 2.523 2.535 . 0 0 "[ . 1 . 2]" 1
97 1 7 HIS HB2 1 47 LEU MD1 2.260 2.010 2.510 2.293 2.281 2.306 . 0 0 "[ . 1 . 2]" 1
98 1 7 HIS HB2 1 59 GLU HA 2.280 . 2.560 2.464 2.440 2.493 . 0 0 "[ . 1 . 2]" 1
99 1 7 HIS HB2 1 59 GLU HB3 2.680 . 3.360 3.157 3.133 3.181 . 0 0 "[ . 1 . 2]" 1
100 1 7 HIS HB2 1 60 PHE H 3.120 . 4.240 4.137 4.120 4.163 . 0 0 "[ . 1 . 2]" 1
101 1 7 HIS HB3 1 8 VAL H 3.010 2.010 4.010 3.863 3.855 3.871 . 0 0 "[ . 1 . 2]" 1
102 1 7 HIS HB3 1 47 LEU MD1 2.640 . 3.280 3.348 3.340 3.354 0.074 11 0 "[ . 1 . 2]" 1
103 1 7 HIS HB3 1 59 GLU HA 2.420 . 2.850 2.640 2.604 2.666 . 0 0 "[ . 1 . 2]" 1
104 1 7 HIS HB3 1 59 GLU HB2 2.510 . 3.020 2.953 2.926 2.976 . 0 0 "[ . 1 . 2]" 1
105 1 7 HIS HB3 1 60 PHE H 2.980 . 3.960 3.428 3.401 3.450 . 0 0 "[ . 1 . 2]" 1
106 1 7 HIS HD2 1 8 VAL H 2.910 . 3.820 3.615 3.576 3.668 . 0 0 "[ . 1 . 2]" 1
107 1 7 HIS HD2 1 8 VAL HA 2.870 . 3.740 3.445 3.390 3.520 . 0 0 "[ . 1 . 2]" 1
108 1 7 HIS HD2 1 9 ASN HB3 2.660 . 3.320 3.357 3.352 3.362 0.042 19 0 "[ . 1 . 2]" 1
109 1 7 HIS HD2 1 47 LEU MD1 2.750 . 3.500 3.510 3.503 3.514 0.014 15 0 "[ . 1 . 2]" 1
110 1 8 VAL H 1 8 VAL HB 2.420 . 2.850 2.646 2.636 2.650 . 0 0 "[ . 1 . 2]" 1
111 1 8 VAL H 1 8 VAL MG1 2.980 . 3.960 3.811 3.804 3.814 . 0 0 "[ . 1 . 2]" 1
112 1 8 VAL H 1 8 VAL MG2 2.750 . 3.500 3.092 3.087 3.103 . 0 0 "[ . 1 . 2]" 1
113 1 8 VAL H 1 9 ASN H 3.220 . 4.440 4.111 4.099 4.137 . 0 0 "[ . 1 . 2]" 1
114 1 8 VAL H 1 47 LEU MD1 2.640 . 3.280 3.339 3.332 3.347 0.067 19 0 "[ . 1 . 2]" 1
115 1 8 VAL H 1 58 VAL H 2.570 . 3.140 3.150 3.145 3.160 0.020 15 0 "[ . 1 . 2]" 1
116 1 8 VAL H 1 58 VAL MG1 2.600 . 3.200 3.095 3.079 3.109 . 0 0 "[ . 1 . 2]" 1
117 1 8 VAL H 1 59 GLU HA 2.620 . 3.240 3.264 3.256 3.272 0.032 19 0 "[ . 1 . 2]" 1
118 1 8 VAL H 1 60 PHE H 3.350 . 4.700 4.701 4.691 4.705 0.005 11 0 "[ . 1 . 2]" 1
119 1 8 VAL H 1 60 PHE QD 2.970 . 3.940 3.822 3.805 3.835 . 0 0 "[ . 1 . 2]" 1
120 1 8 VAL H 1 60 PHE QE 2.540 . 3.080 2.794 2.772 2.819 . 0 0 "[ . 1 . 2]" 1
121 1 8 VAL HA 1 8 VAL MG1 2.280 2.010 2.550 2.450 2.446 2.458 . 0 0 "[ . 1 . 2]" 1
122 1 8 VAL HA 1 8 VAL MG2 2.200 . 2.400 2.243 2.240 2.246 . 0 0 "[ . 1 . 2]" 1
123 1 8 VAL HA 1 9 ASN H 2.200 . 2.400 2.178 2.176 2.179 . 0 0 "[ . 1 . 2]" 1
124 1 8 VAL HA 1 13 GLN HE22 2.810 . 3.620 3.462 3.450 3.475 . 0 0 "[ . 1 . 2]" 1
125 1 8 VAL HA 1 60 PHE QE 3.230 . 4.460 4.440 4.434 4.447 . 0 0 "[ . 1 . 2]" 1
126 1 8 VAL HB 1 20 TRP HZ3 2.830 . 3.660 3.451 3.428 3.486 . 0 0 "[ . 1 . 2]" 1
127 1 8 VAL HB 1 58 VAL H 2.940 . 3.880 3.635 3.631 3.648 . 0 0 "[ . 1 . 2]" 1
128 1 8 VAL HB 1 58 VAL MG1 2.350 . 2.700 2.657 2.652 2.665 . 0 0 "[ . 1 . 2]" 1
129 1 8 VAL HB 1 60 PHE QE 2.340 . 2.680 2.717 2.712 2.724 0.044 13 0 "[ . 1 . 2]" 1
130 1 8 VAL MG1 1 9 ASN H 2.590 . 3.180 3.018 2.978 3.036 . 0 0 "[ . 1 . 2]" 1
131 1 8 VAL MG1 1 9 ASN HA 2.970 . 3.940 3.436 3.419 3.444 . 0 0 "[ . 1 . 2]" 1
132 1 8 VAL MG1 1 10 SER H 3.140 2.010 4.270 4.276 4.265 4.283 0.013 12 0 "[ . 1 . 2]" 1
133 1 8 VAL MG1 1 13 GLN HE22 2.580 . 3.160 1.936 1.932 1.939 0.068 8 0 "[ . 1 . 2]" 1
134 1 8 VAL MG1 1 20 TRP HH2 2.280 . 2.560 2.439 2.435 2.451 . 0 0 "[ . 1 . 2]" 1
135 1 8 VAL MG1 1 20 TRP HZ3 2.280 2.010 2.550 2.592 2.586 2.596 0.046 15 0 "[ . 1 . 2]" 1
136 1 8 VAL MG1 1 27 GLN HE21 2.880 . 3.760 3.332 3.314 3.392 . 0 0 "[ . 1 . 2]" 1
137 1 8 VAL MG1 1 57 GLY HA2 2.990 . 3.980 3.861 3.853 3.868 . 0 0 "[ . 1 . 2]" 1
138 1 8 VAL MG2 1 9 ASN H 3.070 . 4.140 4.002 3.993 4.008 . 0 0 "[ . 1 . 2]" 1
139 1 8 VAL MG2 1 13 GLN HE22 3.040 . 4.080 4.111 4.106 4.118 0.038 19 0 "[ . 1 . 2]" 1
140 1 8 VAL MG2 1 27 GLN HE21 2.280 2.010 2.550 2.373 2.352 2.418 . 0 0 "[ . 1 . 2]" 1
141 1 8 VAL MG2 1 27 GLN HE22 2.650 . 3.300 3.325 3.321 3.330 0.030 15 0 "[ . 1 . 2]" 1
142 1 8 VAL MG2 1 27 GLN HG2 2.610 . 3.220 2.376 2.346 2.441 . 0 0 "[ . 1 . 2]" 1
143 1 8 VAL MG2 1 60 PHE QE 2.200 . 2.400 2.300 2.293 2.312 . 0 0 "[ . 1 . 2]" 1
144 1 8 VAL MG2 1 60 PHE HZ 2.300 . 2.600 2.484 2.450 2.536 . 0 0 "[ . 1 . 2]" 1
145 1 9 ASN H 1 9 ASN HB2 2.980 . 3.960 3.957 3.954 3.965 0.005 19 0 "[ . 1 . 2]" 1
146 1 9 ASN H 1 9 ASN HB3 2.800 . 3.600 3.217 3.206 3.230 . 0 0 "[ . 1 . 2]" 1
147 1 9 ASN HA 1 9 ASN HB2 2.200 . 2.400 2.382 2.379 2.384 . 0 0 "[ . 1 . 2]" 1
148 1 9 ASN HA 1 9 ASN HB3 2.350 . 2.700 2.537 2.533 2.542 . 0 0 "[ . 1 . 2]" 1
149 1 9 ASN HA 1 9 ASN HD21 2.910 . 3.820 3.845 3.842 3.849 0.029 19 0 "[ . 1 . 2]" 1
150 1 9 ASN HA 1 10 SER H 2.200 . 2.400 2.160 2.159 2.162 . 0 0 "[ . 1 . 2]" 1
151 1 9 ASN HA 1 57 GLY H 3.300 . 4.600 4.636 4.630 4.643 0.043 13 0 "[ . 1 . 2]" 1
152 1 9 ASN HA 1 57 GLY HA2 2.200 . 2.400 2.336 2.335 2.338 . 0 0 "[ . 1 . 2]" 1
153 1 9 ASN HA 1 57 GLY HA3 2.370 . 2.740 2.372 2.360 2.386 . 0 0 "[ . 1 . 2]" 1
154 1 9 ASN HA 1 58 VAL H 2.670 . 3.340 3.443 3.439 3.452 0.112 19 0 "[ . 1 . 2]" 1
155 1 9 ASN HB2 1 9 ASN HD21 2.280 . 2.560 2.443 2.440 2.447 . 0 0 "[ . 1 . 2]" 1
156 1 9 ASN HB2 1 9 ASN HD22 2.800 . 3.600 3.582 3.580 3.584 . 0 0 "[ . 1 . 2]" 1
157 1 9 ASN HB2 1 10 SER H 2.760 2.010 3.510 3.397 3.388 3.409 . 0 0 "[ . 1 . 2]" 1
158 1 9 ASN HB2 1 47 LEU MD1 3.040 . 4.080 3.612 3.599 3.629 . 0 0 "[ . 1 . 2]" 1
159 1 9 ASN HB3 1 47 LEU MD1 2.420 . 2.850 2.562 2.546 2.573 . 0 0 "[ . 1 . 2]" 1
160 1 9 ASN HD21 1 10 SER HA 2.740 . 3.480 3.243 3.234 3.252 . 0 0 "[ . 1 . 2]" 1
161 1 9 ASN HD21 1 13 GLN HE21 3.750 . 5.500 4.948 4.933 4.963 . 0 0 "[ . 1 . 2]" 1
162 1 10 SER H 1 10 SER HB2 2.840 . 3.680 3.084 3.079 3.087 . 0 0 "[ . 1 . 2]" 1
163 1 10 SER H 1 10 SER HB3 2.630 . 3.260 3.034 3.031 3.042 . 0 0 "[ . 1 . 2]" 1
164 1 10 SER H 1 11 ARG H 3.250 . 4.500 4.393 4.391 4.395 . 0 0 "[ . 1 . 2]" 1
165 1 10 SER H 1 13 GLN H 2.850 . 3.700 3.723 3.718 3.727 0.027 1 0 "[ . 1 . 2]" 1
166 1 10 SER H 1 13 GLN HE21 2.910 . 3.820 1.917 1.913 1.920 0.087 11 0 "[ . 1 . 2]" 1
167 1 10 SER H 1 13 GLN HG3 3.280 2.010 4.550 4.101 4.094 4.107 . 0 0 "[ . 1 . 2]" 1
168 1 10 SER H 1 57 GLY HA2 2.960 . 3.920 3.623 3.617 3.629 . 0 0 "[ . 1 . 2]" 1
169 1 10 SER H 1 57 GLY HA3 3.150 . 4.300 3.838 3.826 3.853 . 0 0 "[ . 1 . 2]" 1
170 1 10 SER HA 1 11 ARG H 2.420 . 2.840 2.587 2.584 2.594 . 0 0 "[ . 1 . 2]" 1
171 1 10 SER HA 1 13 GLN HE21 2.820 . 3.640 3.448 3.438 3.453 . 0 0 "[ . 1 . 2]" 1
172 1 10 SER HB2 1 12 ASP H 3.240 . 4.480 4.495 4.490 4.500 0.020 20 0 "[ . 1 . 2]" 1
173 1 10 SER HB2 1 13 GLN H 3.090 . 4.180 3.809 3.796 3.818 . 0 0 "[ . 1 . 2]" 1
174 1 10 SER HB2 1 13 GLN QB 2.800 . 3.600 3.056 3.042 3.063 . 0 0 "[ . 1 . 2]" 1
175 1 10 SER HB2 1 13 GLN HE21 2.380 . 2.760 1.987 1.983 1.990 0.017 13 0 "[ . 1 . 2]" 1
176 1 10 SER HB2 1 13 GLN HG3 2.660 . 3.320 2.967 2.954 2.981 . 0 0 "[ . 1 . 2]" 1
177 1 10 SER HB3 1 12 ASP H 2.670 . 3.340 2.879 2.876 2.883 . 0 0 "[ . 1 . 2]" 1
178 1 10 SER HB3 1 13 GLN H 2.290 . 2.580 2.120 2.112 2.128 . 0 0 "[ . 1 . 2]" 1
179 1 10 SER HB3 1 13 GLN HE21 2.830 . 3.660 2.564 2.556 2.579 . 0 0 "[ . 1 . 2]" 1
180 1 11 ARG H 1 11 ARG HB2 2.840 . 3.680 2.488 2.298 2.701 . 0 0 "[ . 1 . 2]" 1
181 1 11 ARG H 1 11 ARG QB 2.490 . 2.980 2.389 2.248 2.626 . 0 0 "[ . 1 . 2]" 1
182 1 11 ARG H 1 11 ARG HB3 2.840 . 3.680 3.252 2.629 3.589 . 0 0 "[ . 1 . 2]" 1
183 1 11 ARG H 1 12 ASP H 2.650 . 3.300 2.556 2.552 2.559 . 0 0 "[ . 1 . 2]" 1
184 1 11 ARG HA 1 11 ARG QB 2.250 . 2.500 2.377 2.279 2.439 . 0 0 "[ . 1 . 2]" 1
185 1 11 ARG HA 1 11 ARG QD 2.240 . 2.480 2.293 2.138 2.480 . 0 0 "[ . 1 . 2]" 1
186 1 11 ARG HA 1 11 ARG QG 2.550 . 3.100 2.696 2.395 3.107 0.007 20 0 "[ . 1 . 2]" 1
187 1 11 ARG HA 1 12 ASP H 2.960 . 3.920 3.544 3.543 3.546 . 0 0 "[ . 1 . 2]" 1
188 1 11 ARG QB 1 11 ARG QD 2.170 . 2.350 2.321 2.195 2.382 0.032 6 0 "[ . 1 . 2]" 1
189 1 11 ARG QB 1 11 ARG QG 2.080 2.010 2.150 2.030 2.015 2.057 . 0 0 "[ . 1 . 2]" 1
190 1 11 ARG QB 1 12 ASP H 2.780 2.010 3.550 2.632 2.600 2.676 . 0 0 "[ . 1 . 2]" 1
191 1 11 ARG QD 1 11 ARG HG2 2.340 . 2.680 2.391 2.288 2.471 . 0 0 "[ . 1 . 2]" 1
192 1 11 ARG QD 1 11 ARG QG 2.120 . 2.240 2.091 2.048 2.110 . 0 0 "[ . 1 . 2]" 1
193 1 11 ARG QD 1 11 ARG HG3 2.340 . 2.680 2.328 2.187 2.445 . 0 0 "[ . 1 . 2]" 1
194 1 12 ASP H 1 12 ASP HB2 2.530 2.010 3.050 2.711 2.696 2.721 . 0 0 "[ . 1 . 2]" 1
195 1 12 ASP H 1 12 ASP HB3 2.530 2.010 3.050 2.535 2.527 2.549 . 0 0 "[ . 1 . 2]" 1
196 1 12 ASP H 1 13 GLN H 2.220 . 2.440 2.265 2.257 2.277 . 0 0 "[ . 1 . 2]" 1
197 1 12 ASP HA 1 12 ASP HB2 2.500 . 3.000 2.484 2.480 2.493 . 0 0 "[ . 1 . 2]" 1
198 1 12 ASP HA 1 12 ASP QB 2.260 2.010 2.510 2.375 2.373 2.381 . 0 0 "[ . 1 . 2]" 1
199 1 12 ASP HA 1 12 ASP HB3 2.500 . 3.000 3.022 3.020 3.023 0.023 4 0 "[ . 1 . 2]" 1
200 1 12 ASP HA 1 13 GLN H 2.740 . 3.480 3.477 3.474 3.479 . 0 0 "[ . 1 . 2]" 1
201 1 12 ASP QB 1 13 GLN H 2.720 . 3.440 2.933 2.926 2.951 . 0 0 "[ . 1 . 2]" 1
202 1 12 ASP HB2 1 13 GLN H 3.070 . 4.140 4.077 4.065 4.089 . 0 0 "[ . 1 . 2]" 1
203 1 12 ASP HB3 1 13 GLN H 3.070 . 4.140 3.007 2.999 3.027 . 0 0 "[ . 1 . 2]" 1
204 1 13 GLN H 1 13 GLN QB 2.200 . 2.400 2.190 2.188 2.193 . 0 0 "[ . 1 . 2]" 1
205 1 13 GLN H 1 13 GLN HE21 2.880 . 3.760 3.801 3.798 3.805 0.045 2 0 "[ . 1 . 2]" 1
206 1 13 GLN H 1 13 GLN HG3 2.530 . 3.060 2.710 2.705 2.717 . 0 0 "[ . 1 . 2]" 1
207 1 13 GLN H 1 14 CYS H 3.070 . 4.140 3.967 3.961 3.973 . 0 0 "[ . 1 . 2]" 1
208 1 13 GLN HA 1 13 GLN QB 2.280 2.010 2.550 2.491 2.489 2.492 . 0 0 "[ . 1 . 2]" 1
209 1 13 GLN HA 1 13 GLN HE21 3.270 . 4.540 4.606 4.605 4.609 0.069 15 0 "[ . 1 . 2]" 1
210 1 13 GLN HA 1 13 GLN HG2 2.280 2.010 2.550 2.310 2.309 2.312 . 0 0 "[ . 1 . 2]" 1
211 1 13 GLN HA 1 13 GLN HG3 2.420 . 2.850 2.813 2.810 2.816 . 0 0 "[ . 1 . 2]" 1
212 1 13 GLN HA 1 14 CYS H 2.200 . 2.400 2.372 2.367 2.376 . 0 0 "[ . 1 . 2]" 1
213 1 13 GLN HA 1 15 ASN HD21 3.030 . 4.060 3.905 3.893 3.923 . 0 0 "[ . 1 . 2]" 1
214 1 13 GLN HA 1 15 ASN HD22 2.510 . 3.020 2.811 2.804 2.824 . 0 0 "[ . 1 . 2]" 1
215 1 13 GLN HA 1 20 TRP HH2 3.150 . 4.300 3.989 3.981 4.003 . 0 0 "[ . 1 . 2]" 1
216 1 13 GLN HA 1 20 TRP HZ2 3.120 . 4.240 3.905 3.897 3.921 . 0 0 "[ . 1 . 2]" 1
217 1 13 GLN QB 1 13 GLN HE21 2.320 2.010 2.630 1.973 1.971 1.975 0.039 4 0 "[ . 1 . 2]" 1
218 1 13 GLN QB 1 13 GLN HG2 2.200 . 2.400 2.397 2.396 2.398 . 0 0 "[ . 1 . 2]" 1
219 1 13 GLN QB 1 13 GLN HG3 2.200 . 2.400 2.344 2.343 2.345 . 0 0 "[ . 1 . 2]" 1
220 1 13 GLN QB 1 15 ASN HD21 2.790 . 3.580 3.596 3.593 3.598 0.018 2 0 "[ . 1 . 2]" 1
221 1 13 GLN QB 1 15 ASN HD22 2.750 . 3.500 3.467 3.445 3.493 . 0 0 "[ . 1 . 2]" 1
222 1 13 GLN QB 1 20 TRP HH2 2.240 . 2.480 2.257 2.254 2.259 . 0 0 "[ . 1 . 2]" 1
223 1 13 GLN QB 1 20 TRP HZ2 2.470 . 2.940 2.273 2.269 2.275 . 0 0 "[ . 1 . 2]" 1
224 1 13 GLN HE21 1 13 GLN HG2 2.780 2.010 3.550 3.580 3.579 3.583 0.033 1 0 "[ . 1 . 2]" 1
225 1 13 GLN HE21 1 13 GLN HG3 2.570 2.010 3.130 2.847 2.841 2.850 . 0 0 "[ . 1 . 2]" 1
226 1 13 GLN HE22 1 13 GLN HG3 2.900 . 3.800 3.751 3.749 3.753 . 0 0 "[ . 1 . 2]" 1
227 1 13 GLN HG2 1 20 TRP HH2 2.500 . 3.000 2.829 2.823 2.836 . 0 0 "[ . 1 . 2]" 1
228 1 13 GLN HG3 1 20 TRP HH2 3.060 . 4.120 4.136 4.129 4.140 0.020 4 0 "[ . 1 . 2]" 1
229 1 14 CYS H 1 14 CYS QB 2.310 . 2.620 2.447 2.446 2.449 . 0 0 "[ . 1 . 2]" 1
230 1 14 CYS H 1 15 ASN H 3.010 . 4.020 4.077 4.070 4.088 0.068 19 0 "[ . 1 . 2]" 1
231 1 14 CYS H 1 15 ASN HD21 3.030 2.010 4.050 3.948 3.931 3.969 . 0 0 "[ . 1 . 2]" 1
232 1 14 CYS HA 1 14 CYS QB 2.260 . 2.520 2.377 2.374 2.382 . 0 0 "[ . 1 . 2]" 1
233 1 14 CYS HA 1 15 ASN H 2.290 . 2.580 2.210 2.205 2.214 . 0 0 "[ . 1 . 2]" 1
234 1 14 CYS HA 1 20 TRP HE1 2.870 . 3.740 3.734 3.724 3.745 0.005 19 0 "[ . 1 . 2]" 1
235 1 14 CYS HA 1 20 TRP HZ2 2.930 . 3.860 3.708 3.699 3.720 . 0 0 "[ . 1 . 2]" 1
236 1 14 CYS HA 1 55 PHE H 2.870 . 3.740 3.749 3.746 3.753 0.013 4 0 "[ . 1 . 2]" 1
237 1 14 CYS QB 1 50 CYS HB2 3.030 2.010 4.050 4.062 4.058 4.066 0.016 8 0 "[ . 1 . 2]" 1
238 1 14 CYS QB 1 50 CYS HB3 3.110 . 4.220 4.263 4.259 4.265 0.045 14 0 "[ . 1 . 2]" 1
239 1 15 ASN H 1 15 ASN HB2 2.670 . 3.340 2.881 2.873 2.894 . 0 0 "[ . 1 . 2]" 1
240 1 15 ASN H 1 15 ASN HB3 3.010 . 4.020 3.878 3.873 3.885 . 0 0 "[ . 1 . 2]" 1
241 1 15 ASN H 1 15 ASN HD21 2.900 . 3.800 2.514 2.499 2.543 . 0 0 "[ . 1 . 2]" 1
242 1 15 ASN H 1 20 TRP HE1 2.360 . 2.720 2.376 2.366 2.393 . 0 0 "[ . 1 . 2]" 1
243 1 15 ASN H 1 20 TRP HZ2 2.840 . 3.680 3.362 3.347 3.394 . 0 0 "[ . 1 . 2]" 1
244 1 15 ASN H 1 54 MET HB3 2.800 . 3.600 3.514 3.463 3.541 . 0 0 "[ . 1 . 2]" 1
245 1 15 ASN H 1 54 MET ME 3.190 . 4.380 4.484 4.480 4.490 0.110 5 0 "[ . 1 . 2]" 1
246 1 15 ASN H 1 55 PHE H 2.380 . 2.760 2.729 2.705 2.748 . 0 0 "[ . 1 . 2]" 1
247 1 15 ASN H 1 55 PHE HB2 3.430 2.010 4.850 4.082 4.074 4.088 . 0 0 "[ . 1 . 2]" 1
248 1 15 ASN HA 1 15 ASN HB3 2.200 . 2.400 2.361 2.359 2.363 . 0 0 "[ . 1 . 2]" 1
249 1 15 ASN HA 1 15 ASN HD21 3.000 . 4.000 3.983 3.976 3.994 . 0 0 "[ . 1 . 2]" 1
250 1 15 ASN HA 1 15 ASN HD22 3.270 . 4.540 4.494 4.490 4.500 . 0 0 "[ . 1 . 2]" 1
251 1 15 ASN HA 1 16 ASP H 2.200 . 2.400 2.416 2.415 2.417 0.017 9 0 "[ . 1 . 2]" 1
252 1 15 ASN HA 1 54 MET ME 2.200 . 2.400 2.258 2.256 2.260 . 0 0 "[ . 1 . 2]" 1
253 1 15 ASN HB2 1 15 ASN HD21 2.200 . 2.400 2.407 2.402 2.410 0.010 16 0 "[ . 1 . 2]" 1
254 1 15 ASN HB2 1 15 ASN HD22 2.780 . 3.560 3.569 3.568 3.571 0.011 15 0 "[ . 1 . 2]" 1
255 1 15 ASN HB2 1 16 ASP H 2.810 . 3.620 3.365 3.360 3.371 . 0 0 "[ . 1 . 2]" 1
256 1 15 ASN HB2 1 19 HIS HB2 2.830 . 3.660 3.377 3.365 3.405 . 0 0 "[ . 1 . 2]" 1
257 1 15 ASN HB2 1 19 HIS HB3 2.670 . 3.340 3.354 3.350 3.360 0.020 6 0 "[ . 1 . 2]" 1
258 1 15 ASN HB2 1 20 TRP H 2.870 . 3.740 3.754 3.749 3.761 0.021 5 0 "[ . 1 . 2]" 1
259 1 15 ASN HB2 1 20 TRP HD1 3.120 . 4.240 3.692 3.677 3.698 . 0 0 "[ . 1 . 2]" 1
260 1 15 ASN HB3 1 16 ASP H 2.330 . 2.660 2.493 2.487 2.497 . 0 0 "[ . 1 . 2]" 1
261 1 15 ASN HB3 1 19 HIS HB2 2.350 . 2.700 2.659 2.645 2.692 . 0 0 "[ . 1 . 2]" 1
262 1 15 ASN HB3 1 19 HIS HB3 2.200 . 2.400 2.423 2.419 2.431 0.031 5 0 "[ . 1 . 2]" 1
263 1 15 ASN HD21 1 20 TRP HH2 2.820 . 3.640 3.361 3.338 3.382 . 0 0 "[ . 1 . 2]" 1
264 1 15 ASN HD21 1 20 TRP HZ2 2.450 . 2.900 2.117 2.098 2.128 . 0 0 "[ . 1 . 2]" 1
265 1 15 ASN HD22 1 20 TRP HZ2 2.990 . 3.980 3.089 3.055 3.108 . 0 0 "[ . 1 . 2]" 1
266 1 16 ASP H 1 16 ASP HA 2.420 . 2.850 2.872 2.870 2.874 0.024 19 0 "[ . 1 . 2]" 1
267 1 16 ASP H 1 16 ASP HB2 2.810 . 3.620 3.579 3.571 3.582 . 0 0 "[ . 1 . 2]" 1
268 1 16 ASP H 1 16 ASP HB3 2.400 . 2.800 2.829 2.822 2.850 0.050 6 0 "[ . 1 . 2]" 1
269 1 16 ASP H 1 19 HIS HB2 2.280 2.010 2.550 2.427 2.414 2.440 . 0 0 "[ . 1 . 2]" 1
270 1 16 ASP H 1 54 MET ME 2.280 2.010 2.550 2.479 2.459 2.509 . 0 0 "[ . 1 . 2]" 1
271 1 16 ASP HA 1 16 ASP HB2 2.340 . 2.680 2.540 2.536 2.552 . 0 0 "[ . 1 . 2]" 1
272 1 16 ASP HA 1 16 ASP HB3 2.200 . 2.400 2.356 2.346 2.360 . 0 0 "[ . 1 . 2]" 1
273 1 16 ASP HA 1 17 TYR H 2.280 2.010 2.550 2.317 2.309 2.326 . 0 0 "[ . 1 . 2]" 1
274 1 16 ASP HA 1 54 MET HA 2.200 . 2.400 2.207 2.206 2.209 . 0 0 "[ . 1 . 2]" 1
275 1 16 ASP HA 1 54 MET HG2 2.650 . 3.300 2.625 2.607 2.647 . 0 0 "[ . 1 . 2]" 1
276 1 16 ASP HA 1 55 PHE H 2.870 . 3.740 3.766 3.760 3.771 0.031 19 0 "[ . 1 . 2]" 1
277 1 16 ASP HA 1 55 PHE QD 2.760 . 3.520 3.492 3.482 3.500 . 0 0 "[ . 1 . 2]" 1
278 1 16 ASP HA 1 55 PHE QE 3.020 . 4.040 4.147 4.137 4.157 0.117 10 0 "[ . 1 . 2]" 1
279 1 16 ASP HB2 1 17 TYR H 2.280 2.010 2.550 2.521 2.508 2.543 . 0 0 "[ . 1 . 2]" 1
280 1 16 ASP HB2 1 18 GLN H 2.710 . 3.420 3.181 3.174 3.193 . 0 0 "[ . 1 . 2]" 1
281 1 16 ASP HB2 1 19 HIS H 2.850 . 3.700 3.450 3.443 3.457 . 0 0 "[ . 1 . 2]" 1
282 1 16 ASP HB3 1 17 TYR H 2.860 . 3.720 3.654 3.635 3.664 . 0 0 "[ . 1 . 2]" 1
283 1 16 ASP HB3 1 54 MET ME 2.760 . 3.520 3.035 3.010 3.061 . 0 0 "[ . 1 . 2]" 1
284 1 16 ASP HB3 1 54 MET HG3 3.180 2.010 4.350 4.158 4.123 4.174 . 0 0 "[ . 1 . 2]" 1
285 1 17 TYR H 1 17 TYR HA 2.420 . 2.850 2.738 2.734 2.742 . 0 0 "[ . 1 . 2]" 1
286 1 17 TYR H 1 17 TYR HB2 2.280 2.010 2.550 2.366 2.349 2.386 . 0 0 "[ . 1 . 2]" 1
287 1 17 TYR H 1 17 TYR HB3 2.350 . 2.700 2.695 2.672 2.714 0.014 5 0 "[ . 1 . 2]" 1
288 1 17 TYR H 1 17 TYR QD 3.180 . 4.360 4.129 4.118 4.142 . 0 0 "[ . 1 . 2]" 1
289 1 17 TYR H 1 18 GLN H 2.540 2.010 3.070 3.057 3.047 3.075 0.005 15 0 "[ . 1 . 2]" 1
290 1 17 TYR H 1 19 HIS H 3.260 . 4.520 4.365 4.355 4.384 . 0 0 "[ . 1 . 2]" 1
291 1 17 TYR H 1 54 MET HA 3.000 . 4.000 3.794 3.772 3.819 . 0 0 "[ . 1 . 2]" 1
292 1 17 TYR H 1 55 PHE QD 2.750 . 3.500 3.363 3.350 3.376 . 0 0 "[ . 1 . 2]" 1
293 1 17 TYR H 1 55 PHE QE 2.460 . 2.920 2.937 2.933 2.941 0.021 10 0 "[ . 1 . 2]" 1
294 1 17 TYR HA 1 17 TYR HB2 2.250 . 2.500 2.508 2.497 2.517 0.017 13 0 "[ . 1 . 2]" 1
295 1 17 TYR HA 1 17 TYR QD 2.470 . 2.940 2.852 2.841 2.857 . 0 0 "[ . 1 . 2]" 1
296 1 17 TYR HA 1 20 TRP H 2.850 . 3.700 3.727 3.718 3.735 0.035 17 0 "[ . 1 . 2]" 1
297 1 17 TYR HA 1 20 TRP HB2 2.670 . 3.340 2.928 2.919 2.937 . 0 0 "[ . 1 . 2]" 1
298 1 17 TYR HA 1 46 VAL MG1 2.280 2.010 2.550 2.538 2.526 2.547 . 0 0 "[ . 1 . 2]" 1
299 1 17 TYR HA 1 46 VAL MG2 3.260 . 4.520 4.336 4.324 4.348 . 0 0 "[ . 1 . 2]" 1
300 1 17 TYR HA 1 55 PHE QD 2.500 . 3.000 3.078 3.075 3.082 0.082 16 0 "[ . 1 . 2]" 1
301 1 17 TYR HA 1 55 PHE QE 2.760 . 3.520 3.353 3.349 3.359 . 0 0 "[ . 1 . 2]" 1
302 1 17 TYR HB2 1 18 GLN H 2.880 . 3.760 3.579 3.561 3.601 . 0 0 "[ . 1 . 2]" 1
303 1 17 TYR HB2 1 46 VAL MG1 2.790 2.010 3.570 3.547 3.514 3.572 0.002 5 0 "[ . 1 . 2]" 1
304 1 17 TYR HB2 1 46 VAL MG2 3.300 . 4.600 4.360 4.325 4.390 . 0 0 "[ . 1 . 2]" 1
305 1 17 TYR HB2 1 55 PHE QE 2.200 . 2.400 2.321 2.313 2.328 . 0 0 "[ . 1 . 2]" 1
306 1 17 TYR HB3 1 18 GLN H 2.200 . 2.400 2.136 2.128 2.146 . 0 0 "[ . 1 . 2]" 1
307 1 17 TYR HB3 1 55 PHE QE 3.090 . 4.180 3.992 3.970 4.011 . 0 0 "[ . 1 . 2]" 1
308 1 17 TYR QD 1 18 GLN H 2.600 . 3.200 3.015 2.954 3.060 . 0 0 "[ . 1 . 2]" 1
309 1 17 TYR QD 1 18 GLN HA 2.510 2.010 3.010 2.907 2.878 2.925 . 0 0 "[ . 1 . 2]" 1
310 1 17 TYR QD 1 18 GLN HB2 3.110 . 4.220 3.677 3.593 3.740 . 0 0 "[ . 1 . 2]" 1
311 1 17 TYR QD 1 21 LYS HD3 2.900 . 3.800 3.564 3.487 3.656 . 0 0 "[ . 1 . 2]" 1
312 1 17 TYR QD 1 21 LYS QE 2.950 . 3.900 3.879 3.768 3.967 0.067 19 0 "[ . 1 . 2]" 1
313 1 17 TYR QD 1 46 VAL MG1 2.200 . 2.400 2.224 2.220 2.228 . 0 0 "[ . 1 . 2]" 1
314 1 17 TYR QD 1 46 VAL MG2 2.280 2.010 2.550 2.623 2.607 2.640 0.090 10 0 "[ . 1 . 2]" 1
315 1 17 TYR QD 1 55 PHE QE 2.600 . 3.200 3.025 2.958 3.099 . 0 0 "[ . 1 . 2]" 1
316 1 17 TYR QE 1 18 GLN HA 3.220 . 4.440 4.388 4.299 4.454 0.014 13 0 "[ . 1 . 2]" 1
317 1 17 TYR QE 1 21 LYS HD2 2.740 . 3.480 3.507 3.484 3.535 0.055 6 0 "[ . 1 . 2]" 1
318 1 17 TYR QE 1 21 LYS HD3 2.440 . 2.880 2.332 2.321 2.341 . 0 0 "[ . 1 . 2]" 1
319 1 17 TYR QE 1 21 LYS QE 2.730 . 3.460 3.479 3.434 3.529 0.069 6 0 "[ . 1 . 2]" 1
320 1 17 TYR QE 1 45 ALA HA 2.660 . 3.320 3.373 3.367 3.381 0.061 2 0 "[ . 1 . 2]" 1
321 1 17 TYR QE 1 45 ALA MB 3.220 . 4.440 4.222 4.190 4.256 . 0 0 "[ . 1 . 2]" 1
322 1 17 TYR QE 1 46 VAL H 2.610 . 3.220 2.888 2.833 2.952 . 0 0 "[ . 1 . 2]" 1
323 1 17 TYR QE 1 46 VAL MG2 2.530 . 3.060 2.855 2.769 2.956 . 0 0 "[ . 1 . 2]" 1
324 1 18 GLN H 1 18 GLN HA 2.410 . 2.820 2.781 2.780 2.783 . 0 0 "[ . 1 . 2]" 1
325 1 18 GLN H 1 18 GLN HB2 2.330 2.010 2.650 2.545 2.540 2.553 . 0 0 "[ . 1 . 2]" 1
326 1 18 GLN H 1 18 GLN HB3 2.260 . 2.520 2.520 2.511 2.524 0.004 10 0 "[ . 1 . 2]" 1
327 1 18 GLN H 1 19 HIS H 2.480 . 2.960 2.857 2.852 2.861 . 0 0 "[ . 1 . 2]" 1
328 1 18 GLN HA 1 18 GLN HB2 2.200 . 2.400 2.429 2.426 2.432 0.032 4 0 "[ . 1 . 2]" 1
329 1 18 GLN HA 1 18 GLN HE21 2.850 . 3.700 3.751 3.747 3.756 0.056 19 0 "[ . 1 . 2]" 1
330 1 18 GLN HA 1 18 GLN HG2 2.910 . 3.820 3.339 3.327 3.353 . 0 0 "[ . 1 . 2]" 1
331 1 18 GLN HA 1 18 GLN HG3 2.610 . 3.220 2.405 2.400 2.413 . 0 0 "[ . 1 . 2]" 1
332 1 18 GLN HA 1 21 LYS H 2.720 . 3.440 3.438 3.432 3.443 0.003 6 0 "[ . 1 . 2]" 1
333 1 18 GLN HA 1 21 LYS HB2 2.350 . 2.700 2.731 2.727 2.734 0.034 19 0 "[ . 1 . 2]" 1
334 1 18 GLN HA 1 21 LYS HB3 2.700 . 3.400 3.124 3.068 3.181 . 0 0 "[ . 1 . 2]" 1
335 1 18 GLN HB2 1 18 GLN HG2 2.500 . 3.000 3.017 3.016 3.019 0.019 13 0 "[ . 1 . 2]" 1
336 1 18 GLN HB3 1 18 GLN HG2 2.200 . 2.400 2.354 2.350 2.358 . 0 0 "[ . 1 . 2]" 1
337 1 18 GLN HB3 1 18 GLN HG3 2.500 . 3.000 3.016 3.014 3.017 0.017 15 0 "[ . 1 . 2]" 1
338 1 18 GLN HB3 1 19 HIS H 2.280 2.010 2.550 2.439 2.432 2.445 . 0 0 "[ . 1 . 2]" 1
339 1 18 GLN HE21 1 18 GLN HG2 2.780 2.010 3.550 3.563 3.560 3.565 0.015 19 0 "[ . 1 . 2]" 1
340 1 18 GLN HE21 1 18 GLN HG3 2.200 . 2.400 2.405 2.397 2.412 0.012 19 0 "[ . 1 . 2]" 1
341 1 18 GLN HE22 1 18 GLN HG2 3.030 2.010 4.050 4.085 4.084 4.087 0.037 19 0 "[ . 1 . 2]" 1
342 1 18 GLN HE22 1 18 GLN HG3 2.730 . 3.460 3.554 3.552 3.556 0.096 7 0 "[ . 1 . 2]" 1
343 1 18 GLN HG2 1 19 HIS H 2.770 . 3.540 3.462 3.448 3.474 . 0 0 "[ . 1 . 2]" 1
344 1 18 GLN HG3 1 19 HIS H 3.230 . 4.460 4.323 4.307 4.332 . 0 0 "[ . 1 . 2]" 1
345 1 19 HIS H 1 19 HIS HA 2.380 . 2.760 2.772 2.768 2.774 0.014 11 0 "[ . 1 . 2]" 1
346 1 19 HIS H 1 19 HIS HB2 2.200 . 2.400 2.314 2.303 2.319 . 0 0 "[ . 1 . 2]" 1
347 1 19 HIS H 1 20 TRP H 2.470 . 2.940 2.877 2.874 2.880 . 0 0 "[ . 1 . 2]" 1
348 1 19 HIS HA 1 19 HIS HB2 2.500 . 3.000 3.009 3.007 3.010 0.010 8 0 "[ . 1 . 2]" 1
349 1 19 HIS HA 1 19 HIS HB3 2.420 . 2.850 2.635 2.632 2.641 . 0 0 "[ . 1 . 2]" 1
350 1 19 HIS HA 1 22 ASP H 2.910 . 3.820 3.670 3.655 3.687 . 0 0 "[ . 1 . 2]" 1
351 1 19 HIS HA 1 22 ASP HB2 2.700 . 3.400 3.235 3.212 3.268 . 0 0 "[ . 1 . 2]" 1
352 1 19 HIS HA 1 23 GLU H 3.140 . 4.280 4.249 4.238 4.260 . 0 0 "[ . 1 . 2]" 1
353 1 19 HIS HB2 1 20 TRP H 2.480 . 2.960 2.607 2.598 2.624 . 0 0 "[ . 1 . 2]" 1
354 1 19 HIS HB3 1 20 TRP H 2.600 . 3.200 3.252 3.246 3.258 0.058 9 0 "[ . 1 . 2]" 1
355 1 20 TRP H 1 20 TRP HA 2.420 . 2.840 2.795 2.794 2.798 . 0 0 "[ . 1 . 2]" 1
356 1 20 TRP H 1 20 TRP HB2 2.200 . 2.400 2.251 2.248 2.253 . 0 0 "[ . 1 . 2]" 1
357 1 20 TRP H 1 20 TRP HB3 2.760 . 3.520 3.541 3.539 3.542 0.022 11 0 "[ . 1 . 2]" 1
358 1 20 TRP H 1 20 TRP HD1 2.980 . 3.960 3.617 3.613 3.625 . 0 0 "[ . 1 . 2]" 1
359 1 20 TRP H 1 21 LYS H 2.420 . 2.850 2.762 2.753 2.770 . 0 0 "[ . 1 . 2]" 1
360 1 20 TRP HA 1 20 TRP HB2 2.500 . 3.000 2.992 2.990 2.994 . 0 0 "[ . 1 . 2]" 1
361 1 20 TRP HA 1 20 TRP HB3 2.350 . 2.700 2.678 2.676 2.682 . 0 0 "[ . 1 . 2]" 1
362 1 20 TRP HA 1 20 TRP HE3 2.200 . 2.400 2.180 2.178 2.183 . 0 0 "[ . 1 . 2]" 1
363 1 20 TRP HA 1 20 TRP HZ3 3.330 . 4.660 4.368 4.366 4.370 . 0 0 "[ . 1 . 2]" 1
364 1 20 TRP HA 1 23 GLU HB3 2.200 . 2.400 2.345 2.341 2.348 . 0 0 "[ . 1 . 2]" 1
365 1 20 TRP HB2 1 20 TRP HD1 2.350 . 2.700 2.512 2.510 2.514 . 0 0 "[ . 1 . 2]" 1
366 1 20 TRP HB2 1 21 LYS H 2.500 . 3.000 2.707 2.702 2.714 . 0 0 "[ . 1 . 2]" 1
367 1 20 TRP HB2 1 44 PHE QE 2.820 . 3.640 3.535 3.522 3.545 . 0 0 "[ . 1 . 2]" 1
368 1 20 TRP HB2 1 44 PHE HZ 2.570 2.010 3.130 2.934 2.920 2.955 . 0 0 "[ . 1 . 2]" 1
369 1 20 TRP HB2 1 46 VAL MG1 2.570 . 3.140 3.006 3.001 3.011 . 0 0 "[ . 1 . 2]" 1
370 1 20 TRP HB2 1 58 VAL MG1 3.020 . 4.040 4.018 4.011 4.028 . 0 0 "[ . 1 . 2]" 1
371 1 20 TRP HB3 1 20 TRP HE3 2.710 . 3.420 3.227 3.223 3.230 . 0 0 "[ . 1 . 2]" 1
372 1 20 TRP HB3 1 44 PHE QE 2.250 . 2.500 2.276 2.265 2.283 . 0 0 "[ . 1 . 2]" 1
373 1 20 TRP HB3 1 44 PHE HZ 2.460 . 2.920 2.983 2.975 2.991 0.071 15 0 "[ . 1 . 2]" 1
374 1 20 TRP HB3 1 58 VAL HB 2.500 . 3.000 3.004 3.001 3.007 0.007 8 0 "[ . 1 . 2]" 1
375 1 20 TRP HB3 1 58 VAL MG1 2.280 2.010 2.550 2.594 2.587 2.605 0.055 15 0 "[ . 1 . 2]" 1
376 1 20 TRP HB3 1 58 VAL MG2 2.200 . 2.400 2.425 2.422 2.429 0.029 16 0 "[ . 1 . 2]" 1
377 1 20 TRP HD1 1 46 VAL MG1 2.200 . 2.400 2.478 2.473 2.484 0.084 13 0 "[ . 1 . 2]" 1
378 1 20 TRP HD1 1 55 PHE H 2.820 . 3.640 3.662 3.656 3.666 0.026 4 0 "[ . 1 . 2]" 1
379 1 20 TRP HD1 1 55 PHE HB2 2.200 . 2.400 2.400 2.396 2.405 0.005 17 0 "[ . 1 . 2]" 1
380 1 20 TRP HD1 1 58 VAL MG2 3.220 . 4.440 4.244 4.239 4.248 . 0 0 "[ . 1 . 2]" 1
381 1 20 TRP HE1 1 46 VAL MG1 3.060 . 4.120 4.095 4.092 4.101 . 0 0 "[ . 1 . 2]" 1
382 1 20 TRP HE1 1 55 PHE H 2.560 . 3.120 2.923 2.917 2.928 . 0 0 "[ . 1 . 2]" 1
383 1 20 TRP HE1 1 55 PHE HA 3.150 . 4.300 4.324 4.321 4.327 0.027 6 0 "[ . 1 . 2]" 1
384 1 20 TRP HE1 1 55 PHE HB2 2.200 . 2.400 2.292 2.288 2.294 . 0 0 "[ . 1 . 2]" 1
385 1 20 TRP HE1 1 55 PHE HB3 2.740 . 3.480 3.556 3.553 3.560 0.080 14 0 "[ . 1 . 2]" 1
386 1 20 TRP HE1 1 55 PHE QD 2.970 . 3.940 3.907 3.903 3.910 . 0 0 "[ . 1 . 2]" 1
387 1 20 TRP HE1 1 57 GLY H 2.860 . 3.720 3.806 3.803 3.810 0.090 1 0 "[ . 1 . 2]" 1
388 1 20 TRP HE1 1 58 VAL HB 3.130 . 4.260 4.065 4.061 4.069 . 0 0 "[ . 1 . 2]" 1
389 1 20 TRP HE3 1 23 GLU HB3 2.240 . 2.480 2.314 2.313 2.316 . 0 0 "[ . 1 . 2]" 1
390 1 20 TRP HE3 1 23 GLU HG2 2.340 . 2.690 2.764 2.756 2.771 0.081 11 0 "[ . 1 . 2]" 1
391 1 20 TRP HE3 1 24 ALA H 2.740 . 3.480 3.315 3.300 3.328 . 0 0 "[ . 1 . 2]" 1
392 1 20 TRP HE3 1 58 VAL MG1 2.200 . 2.400 2.227 2.225 2.229 . 0 0 "[ . 1 . 2]" 1
393 1 20 TRP HH2 1 58 VAL MG1 2.900 . 3.800 3.795 3.793 3.800 . 0 0 "[ . 1 . 2]" 1
394 1 20 TRP HZ3 1 23 GLU HB3 2.760 2.010 3.510 3.607 3.601 3.612 0.102 15 0 "[ . 1 . 2]" 1
395 1 20 TRP HZ3 1 23 GLU HG2 2.510 . 3.020 2.476 2.459 2.487 . 0 0 "[ . 1 . 2]" 1
396 1 20 TRP HZ3 1 23 GLU HG3 3.370 . 4.740 3.866 3.855 3.877 . 0 0 "[ . 1 . 2]" 1
397 1 20 TRP HZ3 1 58 VAL MG1 2.630 . 3.260 3.095 3.090 3.100 . 0 0 "[ . 1 . 2]" 1
398 1 21 LYS H 1 21 LYS HA 2.380 . 2.770 2.746 2.744 2.749 . 0 0 "[ . 1 . 2]" 1
399 1 21 LYS H 1 21 LYS HB2 2.200 . 2.400 2.156 2.145 2.168 . 0 0 "[ . 1 . 2]" 1
400 1 21 LYS H 1 21 LYS HB3 2.500 . 3.000 2.944 2.920 2.970 . 0 0 "[ . 1 . 2]" 1
401 1 21 LYS H 1 21 LYS HG3 3.110 . 4.220 4.119 4.093 4.142 . 0 0 "[ . 1 . 2]" 1
402 1 21 LYS H 1 22 ASP H 2.480 . 2.960 2.874 2.867 2.884 . 0 0 "[ . 1 . 2]" 1
403 1 21 LYS H 1 44 PHE QE 2.730 . 3.460 3.486 3.482 3.492 0.032 10 0 "[ . 1 . 2]" 1
404 1 21 LYS H 1 44 PHE HZ 3.130 . 4.260 2.573 2.563 2.584 . 0 0 "[ . 1 . 2]" 1
405 1 21 LYS HA 1 21 LYS HB2 2.350 . 2.700 2.656 2.645 2.668 . 0 0 "[ . 1 . 2]" 1
406 1 21 LYS HA 1 21 LYS HB3 2.500 . 3.000 3.001 3.000 3.003 0.003 11 0 "[ . 1 . 2]" 1
407 1 21 LYS HA 1 21 LYS HG2 2.730 . 3.460 3.081 3.061 3.099 . 0 0 "[ . 1 . 2]" 1
408 1 21 LYS HA 1 21 LYS HG3 2.490 . 2.980 2.224 2.222 2.227 . 0 0 "[ . 1 . 2]" 1
409 1 21 LYS HA 1 24 ALA MB 2.500 . 3.000 3.030 3.025 3.037 0.037 13 0 "[ . 1 . 2]" 1
410 1 21 LYS HA 1 25 GLY H 3.150 . 4.300 4.389 4.378 4.400 0.100 19 0 "[ . 1 . 2]" 1
411 1 21 LYS HA 1 44 PHE QD 2.730 . 3.460 3.526 3.518 3.533 0.073 10 0 "[ . 1 . 2]" 1
412 1 21 LYS HA 1 44 PHE QE 2.400 . 2.800 2.743 2.736 2.752 . 0 0 "[ . 1 . 2]" 1
413 1 21 LYS HA 1 44 PHE HZ 2.550 . 3.100 2.919 2.916 2.923 . 0 0 "[ . 1 . 2]" 1
414 1 21 LYS HB2 1 21 LYS HG2 2.500 . 3.000 3.016 3.014 3.018 0.018 4 0 "[ . 1 . 2]" 1
415 1 21 LYS HB2 1 21 LYS HG3 2.350 . 2.700 2.646 2.636 2.656 . 0 0 "[ . 1 . 2]" 1
416 1 21 LYS HB2 1 44 PHE HZ 2.530 . 3.060 2.841 2.822 2.856 . 0 0 "[ . 1 . 2]" 1
417 1 21 LYS HB3 1 21 LYS QE 2.270 . 2.540 2.308 2.281 2.338 . 0 0 "[ . 1 . 2]" 1
418 1 21 LYS HB3 1 21 LYS HG2 2.200 . 2.400 2.352 2.347 2.357 . 0 0 "[ . 1 . 2]" 1
419 1 21 LYS HB3 1 21 LYS HG3 2.500 . 3.000 3.026 3.024 3.027 0.027 15 0 "[ . 1 . 2]" 1
420 1 21 LYS HB3 1 22 ASP H 2.300 . 2.600 2.666 2.660 2.674 0.074 9 0 "[ . 1 . 2]" 1
421 1 21 LYS HD2 1 21 LYS QE 2.280 2.010 2.550 2.441 2.411 2.472 . 0 0 "[ . 1 . 2]" 1
422 1 21 LYS HD2 1 21 LYS HG2 2.280 2.010 2.550 2.536 2.503 2.565 0.015 2 0 "[ . 1 . 2]" 1
423 1 21 LYS HD2 1 21 LYS HG3 2.340 . 2.690 2.394 2.362 2.430 . 0 0 "[ . 1 . 2]" 1
424 1 21 LYS HD2 1 44 PHE QD 2.780 . 3.560 3.491 3.421 3.566 0.006 15 0 "[ . 1 . 2]" 1
425 1 21 LYS HD2 1 44 PHE QE 2.650 . 3.300 3.340 3.309 3.377 0.077 6 0 "[ . 1 . 2]" 1
426 1 21 LYS HD3 1 21 LYS QE 2.200 . 2.400 2.226 2.192 2.267 . 0 0 "[ . 1 . 2]" 1
427 1 21 LYS HD3 1 44 PHE QE 2.530 2.010 3.050 2.396 2.331 2.456 . 0 0 "[ . 1 . 2]" 1
428 1 21 LYS QE 1 21 LYS HG2 2.280 . 2.560 2.493 2.292 2.668 0.108 19 0 "[ . 1 . 2]" 1
429 1 21 LYS HG3 1 44 PHE QD 2.500 . 3.000 3.083 3.053 3.105 0.105 14 0 "[ . 1 . 2]" 1
430 1 21 LYS HG3 1 44 PHE QE 2.540 2.010 3.070 2.909 2.850 2.962 . 0 0 "[ . 1 . 2]" 1
431 1 21 LYS HG3 1 44 PHE HZ 2.960 . 3.920 3.673 3.607 3.733 . 0 0 "[ . 1 . 2]" 1
432 1 22 ASP H 1 22 ASP HA 2.420 . 2.840 2.871 2.867 2.874 0.034 8 0 "[ . 1 . 2]" 1
433 1 22 ASP H 1 22 ASP HB2 2.200 . 2.400 2.392 2.384 2.400 . 0 0 "[ . 1 . 2]" 1
434 1 22 ASP H 1 22 ASP HB3 3.040 . 4.080 3.590 3.588 3.592 . 0 0 "[ . 1 . 2]" 1
435 1 22 ASP H 1 23 GLU H 2.370 . 2.740 2.586 2.577 2.598 . 0 0 "[ . 1 . 2]" 1
436 1 22 ASP HA 1 22 ASP HB2 2.500 . 3.000 3.022 3.020 3.023 0.023 1 0 "[ . 1 . 2]" 1
437 1 22 ASP HA 1 22 ASP HB3 2.420 . 2.850 2.510 2.507 2.516 . 0 0 "[ . 1 . 2]" 1
438 1 22 ASP HA 1 25 GLY H 2.840 . 3.680 3.541 3.525 3.557 . 0 0 "[ . 1 . 2]" 1
439 1 22 ASP HA 1 26 LYS H 3.170 . 4.340 4.380 4.376 4.385 0.045 9 0 "[ . 1 . 2]" 1
440 1 22 ASP HB2 1 23 GLU H 2.480 . 2.960 2.460 2.455 2.465 . 0 0 "[ . 1 . 2]" 1
441 1 22 ASP HB3 1 23 GLU H 2.750 . 3.500 3.431 3.422 3.439 . 0 0 "[ . 1 . 2]" 1
442 1 23 GLU H 1 23 GLU HA 2.400 . 2.800 2.795 2.793 2.797 . 0 0 "[ . 1 . 2]" 1
443 1 23 GLU H 1 23 GLU HB2 2.350 . 2.700 2.654 2.649 2.658 . 0 0 "[ . 1 . 2]" 1
444 1 23 GLU H 1 23 GLU HB3 2.200 . 2.400 2.403 2.402 2.406 0.006 10 0 "[ . 1 . 2]" 1
445 1 23 GLU H 1 24 ALA H 2.540 2.010 3.070 2.892 2.887 2.902 . 0 0 "[ . 1 . 2]" 1
446 1 23 GLU HA 1 23 GLU HB2 2.200 . 2.400 2.382 2.380 2.384 . 0 0 "[ . 1 . 2]" 1
447 1 23 GLU HA 1 23 GLU HG3 2.350 . 2.700 2.519 2.515 2.523 . 0 0 "[ . 1 . 2]" 1
448 1 23 GLU HA 1 26 LYS QE 2.520 . 3.040 2.651 2.599 2.711 . 0 0 "[ . 1 . 2]" 1
449 1 23 GLU HA 1 26 LYS HG3 2.330 2.010 2.650 2.658 2.650 2.665 0.015 15 0 "[ . 1 . 2]" 1
450 1 23 GLU HB2 1 23 GLU HG3 2.420 . 2.850 2.687 2.681 2.689 . 0 0 "[ . 1 . 2]" 1
451 1 23 GLU HB3 1 23 GLU HG3 2.500 . 3.000 3.003 3.001 3.005 0.005 11 0 "[ . 1 . 2]" 1
452 1 23 GLU HB3 1 24 ALA H 2.420 . 2.850 2.491 2.474 2.500 . 0 0 "[ . 1 . 2]" 1
453 1 23 GLU HG2 1 24 ALA H 2.630 . 3.260 3.269 3.248 3.278 0.018 18 0 "[ . 1 . 2]" 1
454 1 23 GLU HG2 1 27 GLN HE21 3.150 . 4.300 2.941 2.928 2.957 . 0 0 "[ . 1 . 2]" 1
455 1 23 GLU HG3 1 24 ALA H 3.140 . 4.280 4.043 4.027 4.053 . 0 0 "[ . 1 . 2]" 1
456 1 23 GLU HG3 1 27 GLN HE21 2.490 . 2.980 2.990 2.987 2.993 0.013 12 0 "[ . 1 . 2]" 1
457 1 23 GLU HG3 1 27 GLN HE22 2.780 . 3.560 3.216 3.186 3.247 . 0 0 "[ . 1 . 2]" 1
458 1 24 ALA H 1 24 ALA HA 2.420 . 2.850 2.792 2.790 2.793 . 0 0 "[ . 1 . 2]" 1
459 1 24 ALA H 1 24 ALA MB 2.200 . 2.400 2.241 2.236 2.246 . 0 0 "[ . 1 . 2]" 1
460 1 24 ALA H 1 25 GLY H 2.440 . 2.880 2.670 2.661 2.675 . 0 0 "[ . 1 . 2]" 1
461 1 24 ALA H 1 44 PHE QE 3.190 . 4.380 4.108 4.102 4.114 . 0 0 "[ . 1 . 2]" 1
462 1 24 ALA H 1 58 VAL MG1 2.990 . 3.980 3.809 3.789 3.819 . 0 0 "[ . 1 . 2]" 1
463 1 24 ALA HA 1 27 GLN H 2.720 . 3.440 3.450 3.447 3.457 0.017 13 0 "[ . 1 . 2]" 1
464 1 24 ALA HA 1 27 GLN HB2 2.350 . 2.700 2.740 2.733 2.745 0.045 8 0 "[ . 1 . 2]" 1
465 1 24 ALA HA 1 27 GLN HB3 2.780 2.010 3.550 3.117 3.089 3.137 . 0 0 "[ . 1 . 2]" 1
466 1 24 ALA HA 1 60 PHE QE 2.790 2.010 3.570 3.449 3.434 3.462 . 0 0 "[ . 1 . 2]" 1
467 1 24 ALA HA 1 60 PHE HZ 2.840 . 3.680 3.492 3.464 3.511 . 0 0 "[ . 1 . 2]" 1
468 1 24 ALA MB 1 25 GLY H 2.550 . 3.100 2.709 2.694 2.737 . 0 0 "[ . 1 . 2]" 1
469 1 24 ALA MB 1 44 PHE QD 2.310 . 2.620 2.461 2.443 2.469 . 0 0 "[ . 1 . 2]" 1
470 1 24 ALA MB 1 44 PHE QE 2.470 . 2.940 2.725 2.719 2.730 . 0 0 "[ . 1 . 2]" 1
471 1 24 ALA MB 1 58 VAL MG1 2.420 . 2.850 2.676 2.647 2.689 . 0 0 "[ . 1 . 2]" 1
472 1 24 ALA MB 1 60 PHE HB2 2.500 . 3.000 3.082 3.077 3.089 0.089 16 0 "[ . 1 . 2]" 1
473 1 24 ALA MB 1 60 PHE HB3 2.280 2.010 2.550 2.634 2.624 2.639 0.089 4 0 "[ . 1 . 2]" 1
474 1 24 ALA MB 1 60 PHE QD 2.350 . 2.700 2.740 2.731 2.747 0.047 12 0 "[ . 1 . 2]" 1
475 1 25 GLY H 1 25 GLY HA2 2.420 . 2.850 2.838 2.835 2.842 . 0 0 "[ . 1 . 2]" 1
476 1 25 GLY H 1 25 GLY HA3 2.200 . 2.400 2.303 2.302 2.305 . 0 0 "[ . 1 . 2]" 1
477 1 25 GLY H 1 26 LYS H 2.400 . 2.800 2.700 2.688 2.711 . 0 0 "[ . 1 . 2]" 1
478 1 25 GLY H 1 27 GLN H 3.100 . 4.200 3.984 3.964 4.009 . 0 0 "[ . 1 . 2]" 1
479 1 25 GLY HA2 1 28 CYS H 2.890 . 3.780 3.753 3.728 3.774 . 0 0 "[ . 1 . 2]" 1
480 1 25 GLY HA2 1 28 CYS QB 2.640 . 3.280 3.335 3.326 3.345 0.065 20 0 "[ . 1 . 2]" 1
481 1 25 GLY HA2 1 41 VAL MG1 2.840 . 3.680 3.803 3.798 3.813 0.133 15 0 "[ . 1 . 2]" 1
482 1 25 GLY HA2 1 41 VAL MG2 2.200 . 2.400 2.161 2.152 2.193 . 0 0 "[ . 1 . 2]" 1
483 1 25 GLY HA3 1 26 LYS H 2.420 . 2.850 2.737 2.725 2.745 . 0 0 "[ . 1 . 2]" 1
484 1 25 GLY HA3 1 41 VAL MG1 3.460 . 4.920 4.911 4.898 4.936 0.016 15 0 "[ . 1 . 2]" 1
485 1 25 GLY HA3 1 41 VAL MG2 2.900 . 3.800 3.594 3.583 3.635 . 0 0 "[ . 1 . 2]" 1
486 1 26 LYS H 1 26 LYS HA 2.420 . 2.850 2.834 2.829 2.839 . 0 0 "[ . 1 . 2]" 1
487 1 26 LYS H 1 26 LYS QB 2.330 2.010 2.650 2.611 2.599 2.623 . 0 0 "[ . 1 . 2]" 1
488 1 26 LYS H 1 26 LYS QD 3.290 . 4.580 4.082 4.064 4.099 . 0 0 "[ . 1 . 2]" 1
489 1 26 LYS H 1 26 LYS HG2 2.300 2.010 2.590 2.649 2.638 2.657 0.067 12 0 "[ . 1 . 2]" 1
490 1 26 LYS H 1 26 LYS HG3 2.340 . 2.680 2.169 2.127 2.199 . 0 0 "[ . 1 . 2]" 1
491 1 26 LYS H 1 27 GLN H 2.290 . 2.580 2.626 2.617 2.633 0.053 11 0 "[ . 1 . 2]" 1
492 1 26 LYS H 1 27 GLN HB2 3.510 . 5.020 4.586 4.574 4.603 . 0 0 "[ . 1 . 2]" 1
493 1 26 LYS H 1 28 CYS H 3.220 . 4.440 4.274 4.255 4.295 . 0 0 "[ . 1 . 2]" 1
494 1 26 LYS H 1 29 LYS QB 3.350 . 4.700 4.734 4.712 4.754 0.054 11 0 "[ . 1 . 2]" 1
495 1 26 LYS HA 1 26 LYS QB 2.200 . 2.400 2.299 2.295 2.304 . 0 0 "[ . 1 . 2]" 1
496 1 26 LYS HA 1 26 LYS QD 2.890 . 3.780 3.711 3.690 3.743 . 0 0 "[ . 1 . 2]" 1
497 1 26 LYS HA 1 26 LYS HG2 2.350 . 2.700 2.506 2.490 2.519 . 0 0 "[ . 1 . 2]" 1
498 1 26 LYS HA 1 29 LYS H 2.760 2.010 3.510 3.328 3.301 3.349 . 0 0 "[ . 1 . 2]" 1
499 1 26 LYS HA 1 29 LYS QB 2.200 . 2.400 2.312 2.301 2.323 . 0 0 "[ . 1 . 2]" 1
500 1 26 LYS HA 1 29 LYS QG 3.060 . 4.120 3.437 3.026 3.786 . 0 0 "[ . 1 . 2]" 1
501 1 26 LYS HA 1 30 THR H 2.790 2.010 3.570 3.388 3.333 3.485 . 0 0 "[ . 1 . 2]" 1
502 1 26 LYS QB 1 26 LYS QE 2.450 . 2.900 2.217 2.114 2.614 . 0 0 "[ . 1 . 2]" 1
503 1 26 LYS QB 1 26 LYS HG2 2.340 . 2.680 2.495 2.486 2.502 . 0 0 "[ . 1 . 2]" 1
504 1 26 LYS QB 1 26 LYS HG3 2.200 . 2.400 2.256 2.253 2.261 . 0 0 "[ . 1 . 2]" 1
505 1 26 LYS QB 1 27 GLN H 2.420 . 2.840 2.640 2.616 2.668 . 0 0 "[ . 1 . 2]" 1
506 1 26 LYS QD 1 26 LYS QE 2.200 . 2.400 2.092 2.040 2.106 . 0 0 "[ . 1 . 2]" 1
507 1 26 LYS QD 1 26 LYS HG2 2.200 . 2.400 2.201 2.198 2.203 . 0 0 "[ . 1 . 2]" 1
508 1 26 LYS QD 1 26 LYS HG3 2.280 2.010 2.550 2.373 2.369 2.377 . 0 0 "[ . 1 . 2]" 1
509 1 26 LYS QE 1 26 LYS HG2 2.660 . 3.320 3.327 3.303 3.419 0.099 17 0 "[ . 1 . 2]" 1
510 1 26 LYS QE 1 26 LYS HG3 2.200 . 2.400 2.316 2.310 2.323 . 0 0 "[ . 1 . 2]" 1
511 1 26 LYS HG2 1 27 GLN H 3.360 . 4.720 4.626 4.618 4.634 . 0 0 "[ . 1 . 2]" 1
512 1 26 LYS HG3 1 27 GLN H 3.230 . 4.460 4.056 4.026 4.091 . 0 0 "[ . 1 . 2]" 1
513 1 27 GLN H 1 27 GLN HA 2.420 . 2.850 2.800 2.796 2.805 . 0 0 "[ . 1 . 2]" 1
514 1 27 GLN H 1 27 GLN HB2 2.200 . 2.400 2.186 2.180 2.196 . 0 0 "[ . 1 . 2]" 1
515 1 27 GLN H 1 27 GLN HB3 2.610 . 3.220 3.010 3.002 3.019 . 0 0 "[ . 1 . 2]" 1
516 1 27 GLN H 1 28 CYS H 2.420 . 2.840 2.748 2.732 2.759 . 0 0 "[ . 1 . 2]" 1
517 1 27 GLN H 1 29 LYS H 3.110 . 4.220 4.179 4.128 4.218 . 0 0 "[ . 1 . 2]" 1
518 1 27 GLN HA 1 27 GLN HB2 2.420 . 2.850 2.704 2.698 2.708 . 0 0 "[ . 1 . 2]" 1
519 1 27 GLN HA 1 27 GLN HB3 2.500 . 3.000 2.994 2.991 2.998 . 0 0 "[ . 1 . 2]" 1
520 1 27 GLN HA 1 27 GLN HE21 3.220 . 4.440 4.001 3.981 4.028 . 0 0 "[ . 1 . 2]" 1
521 1 27 GLN HA 1 27 GLN HG2 2.800 . 3.600 3.587 3.584 3.591 . 0 0 "[ . 1 . 2]" 1
522 1 27 GLN HA 1 30 THR HB 3.150 . 4.300 4.310 4.303 4.315 0.015 10 0 "[ . 1 . 2]" 1
523 1 27 GLN HA 1 30 THR MG 2.200 . 2.400 2.345 2.326 2.356 . 0 0 "[ . 1 . 2]" 1
524 1 27 GLN HB2 1 27 GLN HE21 2.770 . 3.540 2.255 2.227 2.278 . 0 0 "[ . 1 . 2]" 1
525 1 27 GLN HB2 1 27 GLN HG2 2.350 . 2.700 2.594 2.589 2.602 . 0 0 "[ . 1 . 2]" 1
526 1 27 GLN HB2 1 28 CYS H 2.890 . 3.780 3.541 3.528 3.554 . 0 0 "[ . 1 . 2]" 1
527 1 27 GLN HB2 1 60 PHE HZ 2.620 . 3.240 3.315 3.310 3.318 0.078 7 0 "[ . 1 . 2]" 1
528 1 27 GLN HB3 1 28 CYS H 2.430 . 2.860 2.700 2.683 2.719 . 0 0 "[ . 1 . 2]" 1
529 1 27 GLN HB3 1 60 PHE QE 2.220 . 2.440 2.453 2.436 2.461 0.021 9 0 "[ . 1 . 2]" 1
530 1 27 GLN HB3 1 60 PHE HZ 2.340 . 2.680 2.344 2.340 2.347 . 0 0 "[ . 1 . 2]" 1
531 1 27 GLN HE21 1 27 GLN HG2 2.350 . 2.700 2.622 2.612 2.636 . 0 0 "[ . 1 . 2]" 1
532 1 27 GLN HE22 1 27 GLN HG2 2.870 . 3.740 3.653 3.649 3.658 . 0 0 "[ . 1 . 2]" 1
533 1 27 GLN HG2 1 60 PHE HZ 2.280 2.010 2.550 2.316 2.313 2.318 . 0 0 "[ . 1 . 2]" 1
534 1 28 CYS H 1 28 CYS QB 2.200 . 2.400 2.248 2.244 2.250 . 0 0 "[ . 1 . 2]" 1
535 1 28 CYS H 1 29 LYS H 2.290 . 2.580 2.518 2.491 2.541 . 0 0 "[ . 1 . 2]" 1
536 1 28 CYS H 1 29 LYS QB 3.420 . 4.840 4.455 4.424 4.482 . 0 0 "[ . 1 . 2]" 1
537 1 28 CYS H 1 30 THR H 3.160 . 4.320 4.261 4.245 4.290 . 0 0 "[ . 1 . 2]" 1
538 1 28 CYS H 1 41 VAL MG2 2.730 . 3.460 3.549 3.536 3.590 0.130 13 0 "[ . 1 . 2]" 1
539 1 28 CYS H 1 60 PHE QE 2.610 . 3.220 3.260 3.253 3.272 0.052 17 0 "[ . 1 . 2]" 1
540 1 28 CYS HA 1 28 CYS QB 2.250 . 2.500 2.420 2.415 2.425 . 0 0 "[ . 1 . 2]" 1
541 1 28 CYS HA 1 31 LYS H 2.760 . 3.520 3.551 3.546 3.557 0.037 12 0 "[ . 1 . 2]" 1
542 1 28 CYS HA 1 31 LYS HB2 2.230 . 2.460 2.486 2.469 2.521 0.061 20 0 "[ . 1 . 2]" 1
543 1 28 CYS HA 1 31 LYS HB3 3.050 . 4.100 3.991 3.970 4.028 . 0 0 "[ . 1 . 2]" 1
544 1 28 CYS HA 1 31 LYS QG 2.870 . 3.740 3.485 3.433 3.624 . 0 0 "[ . 1 . 2]" 1
545 1 28 CYS HA 1 60 PHE QE 2.990 . 3.980 3.495 3.481 3.526 . 0 0 "[ . 1 . 2]" 1
546 1 28 CYS QB 1 29 LYS H 2.460 . 2.920 2.481 2.445 2.535 . 0 0 "[ . 1 . 2]" 1
547 1 28 CYS QB 1 41 VAL MG2 2.140 . 2.280 1.946 1.940 1.956 0.060 19 0 "[ . 1 . 2]" 1
548 1 28 CYS QB 1 60 PHE QD 2.910 . 3.820 2.923 2.897 2.959 . 0 0 "[ . 1 . 2]" 1
549 1 28 CYS HB2 1 29 LYS H 2.820 . 3.640 3.708 3.697 3.730 0.090 11 0 "[ . 1 . 2]" 1
550 1 28 CYS HB2 1 41 VAL MG2 2.420 . 2.850 2.223 2.218 2.228 . 0 0 "[ . 1 . 2]" 1
551 1 28 CYS HB3 1 29 LYS H 2.820 . 3.640 2.520 2.481 2.579 . 0 0 "[ . 1 . 2]" 1
552 1 28 CYS HB3 1 41 VAL MG2 2.420 . 2.850 2.150 2.137 2.172 . 0 0 "[ . 1 . 2]" 1
553 1 29 LYS H 1 29 LYS HA 2.420 . 2.850 2.816 2.812 2.822 . 0 0 "[ . 1 . 2]" 1
554 1 29 LYS H 1 29 LYS QB 2.200 . 2.400 2.378 2.327 2.410 0.010 8 0 "[ . 1 . 2]" 1
555 1 29 LYS H 1 29 LYS QG 2.280 . 2.560 2.251 2.193 2.374 . 0 0 "[ . 1 . 2]" 1
556 1 29 LYS H 1 30 THR H 2.370 . 2.740 2.801 2.792 2.807 0.067 1 0 "[ . 1 . 2]" 1
557 1 29 LYS H 1 30 THR MG 3.100 . 4.200 4.039 3.970 4.076 . 0 0 "[ . 1 . 2]" 1
558 1 29 LYS HA 1 29 LYS QB 2.280 2.010 2.550 2.403 2.391 2.427 . 0 0 "[ . 1 . 2]" 1
559 1 29 LYS HA 1 29 LYS QG 2.350 . 2.700 2.476 2.248 2.641 . 0 0 "[ . 1 . 2]" 1
560 1 29 LYS HA 1 30 THR H 2.790 2.010 3.570 3.573 3.570 3.578 0.008 17 0 "[ . 1 . 2]" 1
561 1 29 LYS QB 1 29 LYS QD 2.400 . 2.800 2.196 2.123 2.381 . 0 0 "[ . 1 . 2]" 1
562 1 29 LYS QB 1 29 LYS QE 3.070 . 4.140 3.360 2.114 3.818 . 0 0 "[ . 1 . 2]" 1
563 1 29 LYS QB 1 29 LYS QG 2.200 . 2.400 2.079 2.053 2.108 . 0 0 "[ . 1 . 2]" 1
564 1 29 LYS QB 1 30 THR H 2.280 2.010 2.550 2.366 2.347 2.399 . 0 0 "[ . 1 . 2]" 1
565 1 29 LYS QD 1 29 LYS QE 2.200 . 2.400 2.060 2.009 2.111 . 0 0 "[ . 1 . 2]" 1
566 1 29 LYS QE 1 29 LYS QG 2.340 . 2.680 2.272 2.120 2.625 . 0 0 "[ . 1 . 2]" 1
567 1 30 THR H 1 30 THR HB 2.280 2.010 2.550 2.410 2.395 2.438 . 0 0 "[ . 1 . 2]" 1
568 1 30 THR H 1 30 THR MG 2.200 . 2.400 2.283 2.217 2.323 . 0 0 "[ . 1 . 2]" 1
569 1 30 THR H 1 31 LYS H 2.320 2.010 2.630 2.637 2.631 2.648 0.018 11 0 "[ . 1 . 2]" 1
570 1 30 THR HA 1 30 THR HB 2.350 . 2.700 2.539 2.522 2.546 . 0 0 "[ . 1 . 2]" 1
571 1 30 THR MG 1 31 LYS H 2.250 . 2.500 2.128 2.069 2.171 . 0 0 "[ . 1 . 2]" 1
572 1 31 LYS H 1 31 LYS HA 2.420 . 2.850 2.881 2.879 2.885 0.035 16 0 "[ . 1 . 2]" 1
573 1 31 LYS H 1 31 LYS HB2 2.200 . 2.400 2.260 2.248 2.275 . 0 0 "[ . 1 . 2]" 1
574 1 31 LYS H 1 31 LYS HB3 2.810 . 3.620 3.547 3.540 3.554 . 0 0 "[ . 1 . 2]" 1
575 1 31 LYS H 1 31 LYS QE 3.350 . 4.700 4.226 4.059 4.537 . 0 0 "[ . 1 . 2]" 1
576 1 31 LYS H 1 31 LYS QG 2.450 . 2.900 2.677 2.624 2.715 . 0 0 "[ . 1 . 2]" 1
577 1 31 LYS HA 1 31 LYS HB2 2.500 . 3.000 3.010 3.004 3.013 0.013 16 0 "[ . 1 . 2]" 1
578 1 31 LYS HA 1 31 LYS HB3 2.350 . 2.700 2.611 2.597 2.621 . 0 0 "[ . 1 . 2]" 1
579 1 31 LYS HA 1 31 LYS QD 2.280 2.010 2.550 2.294 2.202 2.382 . 0 0 "[ . 1 . 2]" 1
580 1 31 LYS HA 1 31 LYS QE 2.200 . 2.400 2.343 2.306 2.422 0.022 17 0 "[ . 1 . 2]" 1
581 1 31 LYS HA 1 31 LYS QG 2.330 2.010 2.650 2.621 2.570 2.733 0.083 20 0 "[ . 1 . 2]" 1
582 1 31 LYS HA 1 32 LYS H 2.200 . 2.400 2.318 2.289 2.404 0.004 17 0 "[ . 1 . 2]" 1
583 1 31 LYS HB2 1 31 LYS QG 2.200 . 2.400 2.188 2.186 2.190 . 0 0 "[ . 1 . 2]" 1
584 1 31 LYS HB2 1 32 LYS H 3.030 . 4.060 3.963 3.809 3.998 . 0 0 "[ . 1 . 2]" 1
585 1 31 LYS HB3 1 31 LYS QG 2.290 2.010 2.570 2.421 2.397 2.439 . 0 0 "[ . 1 . 2]" 1
586 1 31 LYS HB3 1 32 LYS H 2.350 . 2.700 2.696 2.493 2.743 0.043 10 0 "[ . 1 . 2]" 1
587 1 31 LYS QD 1 31 LYS QE 2.200 . 2.400 2.073 2.025 2.106 . 0 0 "[ . 1 . 2]" 1
588 1 31 LYS QD 1 31 LYS QG 2.410 . 2.820 2.055 1.984 2.086 0.016 14 0 "[ . 1 . 2]" 1
589 1 31 LYS QD 1 32 LYS H 2.940 . 3.880 3.002 2.683 3.658 . 0 0 "[ . 1 . 2]" 1
590 1 31 LYS QE 1 31 LYS QG 2.200 . 2.400 2.334 2.142 2.500 0.100 18 0 "[ . 1 . 2]" 1
591 1 31 LYS QE 1 32 LYS H 2.900 . 3.800 3.300 1.986 3.861 0.061 10 0 "[ . 1 . 2]" 1
592 1 32 LYS H 1 32 LYS QD 2.370 . 2.740 2.301 2.129 2.415 . 0 0 "[ . 1 . 2]" 1
593 1 32 LYS H 1 32 LYS HG2 2.890 . 3.780 2.320 2.265 2.358 . 0 0 "[ . 1 . 2]" 1
594 1 32 LYS H 1 32 LYS QG 2.580 . 3.160 2.301 2.249 2.338 . 0 0 "[ . 1 . 2]" 1
595 1 32 LYS H 1 32 LYS HG3 2.890 . 3.780 3.834 3.787 3.868 0.088 10 0 "[ . 1 . 2]" 1
596 1 32 LYS H 1 33 SER H 3.290 . 4.580 4.420 4.407 4.443 . 0 0 "[ . 1 . 2]" 1
597 1 32 LYS HA 1 32 LYS HB2 2.280 2.010 2.550 2.540 2.518 2.560 0.010 20 0 "[ . 1 . 2]" 1
598 1 32 LYS HA 1 32 LYS HB3 2.350 . 2.700 2.382 2.368 2.399 . 0 0 "[ . 1 . 2]" 1
599 1 32 LYS HA 1 33 SER H 2.260 . 2.520 2.384 2.314 2.418 . 0 0 "[ . 1 . 2]" 1
600 1 32 LYS HB2 1 32 LYS QG 2.210 . 2.420 2.189 2.188 2.191 . 0 0 "[ . 1 . 2]" 1
601 1 32 LYS HB2 1 33 SER H 2.630 . 3.260 2.449 2.364 2.615 . 0 0 "[ . 1 . 2]" 1
602 1 32 LYS HB3 1 32 LYS QD 2.200 . 2.400 2.248 2.218 2.379 . 0 0 "[ . 1 . 2]" 1
603 1 32 LYS HB3 1 32 LYS QG 2.260 . 2.520 2.518 2.512 2.521 0.001 2 0 "[ . 1 . 2]" 1
604 1 32 LYS HB3 1 33 SER H 3.170 . 4.340 3.662 3.585 3.770 . 0 0 "[ . 1 . 2]" 1
605 1 32 LYS QD 1 32 LYS QE 2.120 . 2.240 2.058 2.021 2.110 . 0 0 "[ . 1 . 2]" 1
606 1 32 LYS QE 1 32 LYS QG 2.220 . 2.440 2.245 2.119 2.355 . 0 0 "[ . 1 . 2]" 1
607 1 32 LYS QG 1 36 ASN HD21 2.790 . 3.580 2.372 1.995 2.570 0.005 18 0 "[ . 1 . 2]" 1
608 1 32 LYS QG 1 37 LYS H 3.060 . 4.120 4.148 4.131 4.158 0.038 20 0 "[ . 1 . 2]" 1
609 1 33 SER H 1 33 SER HB2 2.690 . 3.380 2.716 2.296 3.421 0.041 18 0 "[ . 1 . 2]" 1
610 1 33 SER H 1 33 SER QB 2.420 . 2.840 2.225 2.087 2.327 . 0 0 "[ . 1 . 2]" 1
611 1 33 SER H 1 33 SER HB3 2.940 . 3.880 2.671 2.105 3.577 . 0 0 "[ . 1 . 2]" 1
612 1 33 SER H 1 37 LYS H 2.600 . 3.200 2.508 2.383 2.789 . 0 0 "[ . 1 . 2]" 1
613 1 33 SER H 1 37 LYS HB3 2.740 . 3.480 3.161 3.007 3.486 0.006 14 0 "[ . 1 . 2]" 1
614 1 33 SER HA 1 33 SER HB2 2.500 . 3.000 2.558 2.279 3.019 0.019 11 0 "[ . 1 . 2]" 1
615 1 33 SER HA 1 33 SER QB 2.260 2.010 2.510 2.324 2.180 2.436 . 0 0 "[ . 1 . 2]" 1
616 1 33 SER HA 1 33 SER HB3 2.500 . 3.000 2.866 2.533 3.024 0.024 20 0 "[ . 1 . 2]" 1
617 1 33 SER QB 1 37 LYS H 2.780 . 3.560 2.566 2.326 3.104 . 0 0 "[ . 1 . 2]" 1
618 1 33 SER QB 1 37 LYS HB3 2.220 . 2.440 2.468 2.447 2.491 0.051 20 0 "[ . 1 . 2]" 1
619 1 34 LYS HA 1 34 LYS QB 2.280 2.010 2.550 2.394 2.360 2.445 . 0 0 "[ . 1 . 2]" 1
620 1 34 LYS HA 1 34 LYS QD 2.250 . 2.500 2.295 2.278 2.407 . 0 0 "[ . 1 . 2]" 1
621 1 34 LYS HA 1 34 LYS QG 2.340 . 2.680 2.626 2.422 2.727 0.047 19 0 "[ . 1 . 2]" 1
622 1 34 LYS QB 1 34 LYS QG 2.210 . 2.420 2.049 2.011 2.057 . 0 0 "[ . 1 . 2]" 1
623 1 34 LYS QD 1 34 LYS QE 2.200 . 2.400 2.088 2.042 2.108 . 0 0 "[ . 1 . 2]" 1
624 1 34 LYS QD 1 34 LYS HG2 2.380 . 2.770 2.365 2.316 2.449 . 0 0 "[ . 1 . 2]" 1
625 1 34 LYS QD 1 34 LYS QG 2.200 . 2.400 2.109 2.101 2.111 . 0 0 "[ . 1 . 2]" 1
626 1 34 LYS QD 1 34 LYS HG3 2.380 . 2.770 2.375 2.288 2.419 . 0 0 "[ . 1 . 2]" 1
627 1 34 LYS QE 1 34 LYS HG2 2.310 . 2.620 2.398 2.280 2.464 . 0 0 "[ . 1 . 2]" 1
628 1 34 LYS QE 1 34 LYS QG 2.110 . 2.220 2.164 2.121 2.259 0.039 7 0 "[ . 1 . 2]" 1
629 1 34 LYS QE 1 34 LYS HG3 2.310 . 2.620 2.479 2.314 2.659 0.039 15 0 "[ . 1 . 2]" 1
630 1 35 GLY HA2 1 36 ASN H 2.490 . 2.980 2.927 2.759 2.991 0.011 11 0 "[ . 1 . 2]" 1
631 1 36 ASN H 1 36 ASN HA 2.200 . 2.400 2.308 2.302 2.314 . 0 0 "[ . 1 . 2]" 1
632 1 36 ASN H 1 36 ASN HB2 3.020 . 4.040 3.431 2.827 3.547 . 0 0 "[ . 1 . 2]" 1
633 1 36 ASN H 1 36 ASN HB3 3.020 . 4.040 3.965 3.739 4.006 . 0 0 "[ . 1 . 2]" 1
634 1 36 ASN H 1 36 ASN HD21 2.690 . 3.380 3.250 2.968 3.466 0.086 18 0 "[ . 1 . 2]" 1
635 1 36 ASN H 1 37 LYS H 2.490 . 2.980 2.889 2.837 2.954 . 0 0 "[ . 1 . 2]" 1
636 1 36 ASN HA 1 36 ASN QB 2.260 . 2.520 2.367 2.343 2.505 . 0 0 "[ . 1 . 2]" 1
637 1 36 ASN HA 1 36 ASN HD22 2.780 . 3.560 3.522 3.262 3.566 0.006 1 0 "[ . 1 . 2]" 1
638 1 36 ASN HA 1 37 LYS H 2.420 . 2.840 2.784 2.747 2.823 . 0 0 "[ . 1 . 2]" 1
639 1 36 ASN QB 1 36 ASN HD21 2.420 . 2.840 2.668 2.626 2.748 . 0 0 "[ . 1 . 2]" 1
640 1 36 ASN QB 1 36 ASN HD22 2.750 . 3.500 3.453 3.440 3.477 . 0 0 "[ . 1 . 2]" 1
641 1 36 ASN QB 1 37 LYS H 3.010 2.010 4.010 3.875 3.852 3.909 . 0 0 "[ . 1 . 2]" 1
642 1 36 ASN HB2 1 37 LYS H 3.320 . 4.640 4.275 4.201 4.557 . 0 0 "[ . 1 . 2]" 1
643 1 36 ASN HB3 1 37 LYS H 3.320 . 4.640 4.446 4.242 4.476 . 0 0 "[ . 1 . 2]" 1
644 1 37 LYS H 1 37 LYS HB2 2.280 2.010 2.550 2.300 2.168 2.472 . 0 0 "[ . 1 . 2]" 1
645 1 37 LYS H 1 37 LYS HB3 2.640 . 3.280 3.013 2.977 3.297 0.017 18 0 "[ . 1 . 2]" 1
646 1 37 LYS HA 1 37 LYS HB2 2.420 . 2.850 2.760 2.745 2.905 0.055 18 0 "[ . 1 . 2]" 1
647 1 37 LYS HA 1 37 LYS HB3 2.500 . 3.000 2.969 2.851 2.979 . 0 0 "[ . 1 . 2]" 1
648 1 37 LYS HA 1 37 LYS QG 2.190 . 2.380 2.236 2.196 2.316 . 0 0 "[ . 1 . 2]" 1
649 1 37 LYS HA 1 38 ASP H 2.420 . 2.850 2.734 2.551 2.750 . 0 0 "[ . 1 . 2]" 1
650 1 37 LYS HB2 1 37 LYS QG 2.260 . 2.520 2.332 2.187 2.477 . 0 0 "[ . 1 . 2]" 1
651 1 37 LYS HB2 1 38 ASP H 2.990 . 3.980 3.671 3.659 3.808 . 0 0 "[ . 1 . 2]" 1
652 1 37 LYS HB3 1 37 LYS QG 2.260 . 2.520 2.390 2.190 2.475 . 0 0 "[ . 1 . 2]" 1
653 1 37 LYS HB3 1 38 ASP H 2.200 . 2.400 2.405 2.373 2.419 0.019 18 0 "[ . 1 . 2]" 1
654 1 37 LYS QD 1 37 LYS QG 2.210 . 2.420 2.066 2.014 2.109 . 0 0 "[ . 1 . 2]" 1
655 1 37 LYS QD 1 38 ASP H 2.940 . 3.880 3.227 1.975 3.947 0.067 10 0 "[ . 1 . 2]" 1
656 1 37 LYS QE 1 37 LYS QG 2.500 . 3.000 2.359 2.198 2.921 . 0 0 "[ . 1 . 2]" 1
657 1 37 LYS QG 1 38 ASP H 2.750 . 3.500 2.026 1.920 3.503 0.080 10 0 "[ . 1 . 2]" 1
658 1 37 LYS HG2 1 38 ASP H 2.890 . 3.780 2.258 1.933 3.803 0.067 10 0 "[ . 1 . 2]" 1
659 1 37 LYS HG3 1 38 ASP H 3.140 . 4.280 3.217 1.968 4.098 0.032 16 0 "[ . 1 . 2]" 1
660 1 38 ASP H 1 38 ASP HB2 2.490 . 2.980 2.960 2.867 2.993 0.013 19 0 "[ . 1 . 2]" 1
661 1 38 ASP H 1 38 ASP QB 2.300 2.010 2.590 2.514 2.383 2.587 . 0 0 "[ . 1 . 2]" 1
662 1 38 ASP H 1 38 ASP HB3 2.490 . 2.980 2.722 2.545 2.832 . 0 0 "[ . 1 . 2]" 1
663 1 38 ASP HA 1 39 MET H 2.280 2.010 2.550 2.329 2.314 2.340 . 0 0 "[ . 1 . 2]" 1
664 1 38 ASP QB 1 39 MET H 2.770 . 3.540 3.362 3.332 3.415 . 0 0 "[ . 1 . 2]" 1
665 1 39 MET H 1 39 MET HB2 2.480 . 2.960 2.901 2.882 2.913 . 0 0 "[ . 1 . 2]" 1
666 1 39 MET H 1 40 ILE H 3.250 . 4.500 4.272 4.239 4.283 . 0 0 "[ . 1 . 2]" 1
667 1 39 MET HA 1 39 MET HB3 2.450 . 2.900 2.432 2.423 2.444 . 0 0 "[ . 1 . 2]" 1
668 1 39 MET HA 1 39 MET HG2 2.550 . 3.100 2.458 2.422 2.483 . 0 0 "[ . 1 . 2]" 1
669 1 39 MET HA 1 39 MET HG3 2.800 . 3.600 3.244 3.236 3.259 . 0 0 "[ . 1 . 2]" 1
670 1 39 MET HA 1 40 ILE H 2.200 . 2.400 2.180 2.166 2.189 . 0 0 "[ . 1 . 2]" 1
671 1 39 MET HB2 1 39 MET HG3 2.350 . 2.700 2.401 2.384 2.409 . 0 0 "[ . 1 . 2]" 1
672 1 39 MET HB2 1 62 CYS HB3 2.860 . 3.720 3.119 3.070 3.219 . 0 0 "[ . 1 . 2]" 1
673 1 39 MET HB3 1 40 ILE H 2.760 . 3.520 3.092 3.063 3.174 . 0 0 "[ . 1 . 2]" 1
674 1 39 MET HB3 1 62 CYS HB3 2.790 . 3.580 2.468 2.426 2.490 . 0 0 "[ . 1 . 2]" 1
675 1 39 MET HB3 1 63 CYS H 2.850 . 3.700 2.969 2.948 3.027 . 0 0 "[ . 1 . 2]" 1
676 1 39 MET ME 1 62 CYS HB2 2.450 . 2.900 2.918 2.911 2.922 0.022 6 0 "[ . 1 . 2]" 1
677 1 39 MET ME 1 62 CYS HB3 2.500 . 3.000 2.306 2.298 2.309 . 0 0 "[ . 1 . 2]" 1
678 1 39 MET ME 1 63 CYS H 2.550 2.010 3.090 3.116 3.106 3.124 0.034 19 0 "[ . 1 . 2]" 1
679 1 39 MET ME 1 63 CYS HA 2.420 . 2.850 2.647 2.635 2.658 . 0 0 "[ . 1 . 2]" 1
680 1 39 MET ME 1 64 PRO HA 2.420 . 2.840 2.696 2.675 2.719 . 0 0 "[ . 1 . 2]" 1
681 1 39 MET HG2 1 64 PRO HA 2.200 . 2.400 2.340 2.337 2.342 . 0 0 "[ . 1 . 2]" 1
682 1 40 ILE H 1 40 ILE HB 2.900 . 3.800 3.661 3.656 3.664 . 0 0 "[ . 1 . 2]" 1
683 1 40 ILE H 1 40 ILE MD 3.000 . 4.000 3.713 3.707 3.721 . 0 0 "[ . 1 . 2]" 1
684 1 40 ILE H 1 40 ILE HG12 2.200 . 2.400 2.065 2.055 2.080 . 0 0 "[ . 1 . 2]" 1
685 1 40 ILE H 1 40 ILE HG13 2.670 . 3.340 3.022 3.002 3.038 . 0 0 "[ . 1 . 2]" 1
686 1 40 ILE H 1 40 ILE MG 2.350 . 2.700 2.348 2.332 2.360 . 0 0 "[ . 1 . 2]" 1
687 1 40 ILE H 1 63 CYS H 2.500 . 3.000 3.043 3.035 3.056 0.056 11 0 "[ . 1 . 2]" 1
688 1 40 ILE H 1 65 ASN HB2 3.080 . 4.160 4.088 4.076 4.100 . 0 0 "[ . 1 . 2]" 1
689 1 40 ILE HA 1 40 ILE HB 2.200 . 2.400 2.433 2.429 2.437 0.037 13 0 "[ . 1 . 2]" 1
690 1 40 ILE HA 1 40 ILE MG 2.280 2.010 2.550 2.333 2.326 2.337 . 0 0 "[ . 1 . 2]" 1
691 1 40 ILE HA 1 41 VAL H 2.490 . 2.980 2.697 2.695 2.700 . 0 0 "[ . 1 . 2]" 1
692 1 40 ILE HB 1 40 ILE MD 2.280 2.010 2.550 2.254 2.252 2.257 . 0 0 "[ . 1 . 2]" 1
693 1 40 ILE HB 1 40 ILE HG13 2.350 . 2.700 2.542 2.536 2.546 . 0 0 "[ . 1 . 2]" 1
694 1 40 ILE HB 1 41 VAL H 2.200 . 2.400 1.995 1.993 1.998 0.007 14 0 "[ . 1 . 2]" 1
695 1 40 ILE MD 1 41 VAL H 2.740 . 3.480 3.413 3.404 3.425 . 0 0 "[ . 1 . 2]" 1
696 1 40 ILE MD 1 63 CYS HB3 2.930 . 3.860 3.953 3.949 3.965 0.105 20 0 "[ . 1 . 2]" 1
697 1 40 ILE MD 1 65 ASN H 3.070 . 4.140 3.835 3.826 3.839 . 0 0 "[ . 1 . 2]" 1
698 1 40 ILE MD 1 65 ASN HB2 2.200 . 2.400 2.062 2.061 2.063 . 0 0 "[ . 1 . 2]" 1
699 1 40 ILE MD 1 65 ASN HB3 2.300 2.010 2.590 2.622 2.618 2.629 0.039 17 0 "[ . 1 . 2]" 1
700 1 40 ILE MD 1 65 ASN HD21 2.730 . 3.460 2.266 2.256 2.273 . 0 0 "[ . 1 . 2]" 1
701 1 40 ILE MD 1 65 ASN HD22 2.860 . 3.720 3.758 3.753 3.762 0.042 16 0 "[ . 1 . 2]" 1
702 1 40 ILE HG12 1 40 ILE MG 2.200 . 2.400 2.230 2.226 2.237 . 0 0 "[ . 1 . 2]" 1
703 1 40 ILE HG12 1 41 VAL H 3.110 . 4.220 4.177 4.169 4.195 . 0 0 "[ . 1 . 2]" 1
704 1 40 ILE HG12 1 63 CYS H 2.870 . 3.740 3.465 3.458 3.473 . 0 0 "[ . 1 . 2]" 1
705 1 40 ILE HG12 1 65 ASN HB2 2.240 . 2.480 2.344 2.342 2.347 . 0 0 "[ . 1 . 2]" 1
706 1 40 ILE HG12 1 65 ASN HB3 3.020 . 4.040 3.889 3.880 3.901 . 0 0 "[ . 1 . 2]" 1
707 1 40 ILE HG13 1 40 ILE MG 2.670 . 3.340 3.188 3.187 3.190 . 0 0 "[ . 1 . 2]" 1
708 1 40 ILE HG13 1 41 VAL H 2.650 . 3.300 2.943 2.930 2.967 . 0 0 "[ . 1 . 2]" 1
709 1 40 ILE HG13 1 63 CYS H 2.760 2.010 3.510 3.123 3.092 3.152 . 0 0 "[ . 1 . 2]" 1
710 1 40 ILE MG 1 65 ASN H 3.100 . 4.200 4.256 4.251 4.261 0.061 19 0 "[ . 1 . 2]" 1
711 1 40 ILE MG 1 65 ASN HB2 2.670 . 3.340 3.344 3.340 3.351 0.011 17 0 "[ . 1 . 2]" 1
712 1 41 VAL H 1 41 VAL HB 2.280 2.010 2.550 2.515 2.509 2.521 . 0 0 "[ . 1 . 2]" 1
713 1 41 VAL H 1 41 VAL MG2 2.580 . 3.160 2.927 2.918 2.938 . 0 0 "[ . 1 . 2]" 1
714 1 41 VAL H 1 42 ARG H 3.300 . 4.600 4.141 4.134 4.151 . 0 0 "[ . 1 . 2]" 1
715 1 41 VAL H 1 62 CYS HA 3.350 . 4.700 4.741 4.730 4.748 0.048 19 0 "[ . 1 . 2]" 1
716 1 41 VAL HA 1 41 VAL MG1 2.350 . 2.700 2.399 2.392 2.407 . 0 0 "[ . 1 . 2]" 1
717 1 41 VAL HA 1 41 VAL MG2 2.200 . 2.400 2.216 2.213 2.219 . 0 0 "[ . 1 . 2]" 1
718 1 41 VAL HA 1 42 ARG H 2.200 . 2.400 2.118 2.116 2.121 . 0 0 "[ . 1 . 2]" 1
719 1 41 VAL HA 1 62 CYS HA 2.200 . 2.400 2.318 2.310 2.322 . 0 0 "[ . 1 . 2]" 1
720 1 41 VAL HA 1 63 CYS H 2.810 . 3.620 3.675 3.672 3.689 0.069 15 0 "[ . 1 . 2]" 1
721 1 41 VAL MG1 1 42 ARG H 2.500 . 3.000 3.056 3.045 3.072 0.072 15 0 "[ . 1 . 2]" 1
722 1 41 VAL MG1 1 43 SER H 2.560 . 3.120 3.172 3.159 3.179 0.059 10 0 "[ . 1 . 2]" 1
723 1 41 VAL MG1 1 44 PHE HA 3.090 . 4.180 3.918 3.900 3.938 . 0 0 "[ . 1 . 2]" 1
724 1 41 VAL MG1 1 44 PHE QB 2.330 2.010 2.650 2.443 2.432 2.467 . 0 0 "[ . 1 . 2]" 1
725 1 41 VAL MG1 1 60 PHE HA 3.220 2.010 4.430 4.070 4.051 4.100 . 0 0 "[ . 1 . 2]" 1
726 1 41 VAL MG1 1 60 PHE HB2 2.500 . 3.000 2.473 2.442 2.527 . 0 0 "[ . 1 . 2]" 1
727 1 41 VAL MG1 1 60 PHE QD 2.920 . 3.840 3.149 3.126 3.178 . 0 0 "[ . 1 . 2]" 1
728 1 41 VAL MG1 1 62 CYS HA 3.050 . 4.100 3.945 3.936 3.955 . 0 0 "[ . 1 . 2]" 1
729 1 41 VAL MG2 1 60 PHE QD 2.350 . 2.700 2.737 2.727 2.766 0.066 15 0 "[ . 1 . 2]" 1
730 1 41 VAL MG2 1 62 CYS HA 2.740 . 3.480 3.512 3.502 3.521 0.041 15 0 "[ . 1 . 2]" 1
731 1 42 ARG H 1 42 ARG HB2 2.640 . 3.280 3.007 2.983 3.064 . 0 0 "[ . 1 . 2]" 1
732 1 42 ARG H 1 42 ARG HB3 2.200 . 2.400 2.139 2.092 2.147 . 0 0 "[ . 1 . 2]" 1
733 1 42 ARG H 1 42 ARG HG2 3.150 . 4.300 4.012 3.916 4.039 . 0 0 "[ . 1 . 2]" 1
734 1 42 ARG H 1 43 SER H 2.630 . 3.260 2.707 2.688 2.790 . 0 0 "[ . 1 . 2]" 1
735 1 42 ARG H 1 61 VAL H 3.490 . 4.980 4.505 4.495 4.513 . 0 0 "[ . 1 . 2]" 1
736 1 42 ARG H 1 61 VAL HB 3.030 . 4.060 3.834 3.730 3.855 . 0 0 "[ . 1 . 2]" 1
737 1 42 ARG H 1 61 VAL MG1 2.810 . 3.620 3.434 3.426 3.461 . 0 0 "[ . 1 . 2]" 1
738 1 42 ARG H 1 62 CYS HA 2.280 2.010 2.550 2.565 2.524 2.575 0.025 3 0 "[ . 1 . 2]" 1
739 1 42 ARG H 1 63 CYS H 2.900 . 3.800 3.573 3.557 3.581 . 0 0 "[ . 1 . 2]" 1
740 1 42 ARG H 1 63 CYS HB2 2.940 . 3.880 3.815 3.790 3.874 . 0 0 "[ . 1 . 2]" 1
741 1 42 ARG HA 1 42 ARG HB2 2.200 . 2.400 2.304 2.290 2.308 . 0 0 "[ . 1 . 2]" 1
742 1 42 ARG HA 1 42 ARG HB3 2.500 . 3.000 2.981 2.958 2.986 . 0 0 "[ . 1 . 2]" 1
743 1 42 ARG HA 1 42 ARG HG2 2.900 . 3.800 3.654 3.644 3.704 . 0 0 "[ . 1 . 2]" 1
744 1 42 ARG HA 1 63 CYS HB2 3.080 . 4.160 4.193 4.168 4.201 0.041 7 0 "[ . 1 . 2]" 1
745 1 42 ARG HB2 1 42 ARG QD 2.370 . 2.740 2.387 2.274 2.651 . 0 0 "[ . 1 . 2]" 1
746 1 42 ARG HB2 1 63 CYS HB2 2.690 . 3.380 2.817 2.770 3.033 . 0 0 "[ . 1 . 2]" 1
747 1 42 ARG HB3 1 42 ARG QD 2.260 2.010 2.510 2.550 2.496 2.569 0.059 6 0 "[ . 1 . 2]" 1
748 1 42 ARG HB3 1 43 SER H 2.420 . 2.850 2.608 2.583 2.660 . 0 0 "[ . 1 . 2]" 1
749 1 42 ARG HB3 1 61 VAL MG1 2.350 . 2.700 2.295 2.293 2.297 . 0 0 "[ . 1 . 2]" 1
750 1 42 ARG HB3 1 63 CYS H 3.150 . 4.300 4.332 4.322 4.340 0.040 11 0 "[ . 1 . 2]" 1
751 1 42 ARG HB3 1 63 CYS HB2 2.990 . 3.980 3.611 3.578 3.716 . 0 0 "[ . 1 . 2]" 1
752 1 42 ARG QD 1 42 ARG HG2 2.310 . 2.620 2.332 2.189 2.416 . 0 0 "[ . 1 . 2]" 1
753 1 42 ARG QD 1 42 ARG HG3 2.260 . 2.520 2.360 2.313 2.436 . 0 0 "[ . 1 . 2]" 1
754 1 42 ARG QD 1 61 VAL MG1 2.460 . 2.920 2.700 2.413 2.765 . 0 0 "[ . 1 . 2]" 1
755 1 42 ARG HG2 1 43 SER H 2.370 . 2.740 2.545 2.283 2.591 . 0 0 "[ . 1 . 2]" 1
756 1 42 ARG HG2 1 43 SER QB 2.380 . 2.770 2.379 2.342 2.548 . 0 0 "[ . 1 . 2]" 1
757 1 42 ARG HG2 1 61 VAL MG1 2.490 . 2.980 3.058 2.989 3.074 0.094 19 0 "[ . 1 . 2]" 1
758 1 42 ARG HG3 1 43 SER H 2.800 . 3.600 3.600 3.398 3.626 0.026 6 0 "[ . 1 . 2]" 1
759 1 42 ARG HG3 1 43 SER QB 2.850 . 3.700 3.556 3.501 3.806 0.106 13 0 "[ . 1 . 2]" 1
760 1 43 SER H 1 43 SER QB 2.280 2.010 2.550 2.480 2.438 2.491 . 0 0 "[ . 1 . 2]" 1
761 1 43 SER H 1 61 VAL H 2.430 . 2.860 2.793 2.779 2.806 . 0 0 "[ . 1 . 2]" 1
762 1 43 SER H 1 61 VAL HB 2.230 . 2.460 2.007 1.996 2.029 0.004 19 0 "[ . 1 . 2]" 1
763 1 43 SER H 1 61 VAL MG1 2.680 . 3.360 3.254 3.230 3.402 0.042 15 0 "[ . 1 . 2]" 1
764 1 43 SER H 1 62 CYS HA 3.270 . 4.540 4.608 4.594 4.689 0.149 15 0 "[ . 1 . 2]" 1
765 1 43 SER HA 1 43 SER QB 2.200 . 2.400 2.441 2.437 2.460 0.060 15 0 "[ . 1 . 2]" 1
766 1 43 SER HA 1 44 PHE H 2.280 2.010 2.550 2.404 2.391 2.421 . 0 0 "[ . 1 . 2]" 1
767 1 43 SER HA 1 44 PHE QB 2.990 . 3.980 3.825 3.790 3.832 . 0 0 "[ . 1 . 2]" 1
768 1 43 SER QB 1 61 VAL H 2.810 . 3.620 2.616 2.554 3.023 . 0 0 "[ . 1 . 2]" 1
769 1 43 SER QB 1 61 VAL HB 2.380 . 2.760 2.230 2.214 2.314 . 0 0 "[ . 1 . 2]" 1
770 1 43 SER QB 1 61 VAL MG2 2.200 . 2.400 2.323 2.296 2.433 0.033 13 0 "[ . 1 . 2]" 1
771 1 44 PHE H 1 44 PHE QB 2.510 2.010 3.010 2.865 2.825 2.882 . 0 0 "[ . 1 . 2]" 1
772 1 44 PHE H 1 45 ALA H 3.130 . 4.260 4.088 4.076 4.117 . 0 0 "[ . 1 . 2]" 1
773 1 44 PHE H 1 45 ALA MB 2.900 . 3.800 3.766 3.751 3.812 0.012 15 0 "[ . 1 . 2]" 1
774 1 44 PHE HA 1 44 PHE QB 2.200 . 2.400 2.247 2.242 2.249 . 0 0 "[ . 1 . 2]" 1
775 1 44 PHE HA 1 44 PHE QD 2.530 2.010 3.050 2.932 2.918 2.986 . 0 0 "[ . 1 . 2]" 1
776 1 44 PHE HA 1 45 ALA H 2.200 . 2.400 2.136 2.133 2.145 . 0 0 "[ . 1 . 2]" 1
777 1 44 PHE HA 1 45 ALA MB 3.000 . 4.000 3.941 3.939 3.943 . 0 0 "[ . 1 . 2]" 1
778 1 44 PHE HA 1 60 PHE HA 2.200 . 2.400 2.274 2.270 2.286 . 0 0 "[ . 1 . 2]" 1
779 1 44 PHE HA 1 60 PHE HB2 2.690 . 3.380 3.291 3.284 3.296 . 0 0 "[ . 1 . 2]" 1
780 1 44 PHE HA 1 60 PHE HB3 2.470 . 2.940 2.642 2.625 2.688 . 0 0 "[ . 1 . 2]" 1
781 1 44 PHE HA 1 61 VAL H 2.740 . 3.480 3.589 3.584 3.594 0.114 6 0 "[ . 1 . 2]" 1
782 1 44 PHE QB 1 45 ALA H 2.960 . 3.920 3.666 3.661 3.668 . 0 0 "[ . 1 . 2]" 1
783 1 44 PHE QB 1 60 PHE HA 2.820 . 3.640 3.712 3.693 3.722 0.082 19 0 "[ . 1 . 2]" 1
784 1 44 PHE QB 1 60 PHE HB3 2.410 . 2.820 2.916 2.890 2.924 0.104 8 0 "[ . 1 . 2]" 1
785 1 44 PHE QB 1 61 VAL H 3.050 . 4.100 4.197 4.191 4.211 0.111 13 0 "[ . 1 . 2]" 1
786 1 44 PHE QD 1 45 ALA H 2.610 . 3.220 3.239 3.231 3.269 0.049 15 0 "[ . 1 . 2]" 1
787 1 44 PHE QD 1 58 VAL MG2 2.420 . 2.850 2.743 2.732 2.748 . 0 0 "[ . 1 . 2]" 1
788 1 44 PHE QD 1 60 PHE HA 3.030 2.010 4.050 4.088 4.083 4.102 0.052 15 0 "[ . 1 . 2]" 1
789 1 44 PHE QD 1 60 PHE HB2 2.830 . 3.660 3.512 3.501 3.517 . 0 0 "[ . 1 . 2]" 1
790 1 44 PHE QD 1 60 PHE HB3 2.200 . 2.400 2.214 2.210 2.218 . 0 0 "[ . 1 . 2]" 1
791 1 44 PHE QE 1 45 ALA HA 3.110 . 4.220 4.083 4.069 4.097 . 0 0 "[ . 1 . 2]" 1
792 1 44 PHE QE 1 58 VAL HB 3.010 2.010 4.010 4.053 4.043 4.056 0.046 12 0 "[ . 1 . 2]" 1
793 1 44 PHE QE 1 58 VAL MG1 2.590 . 3.180 3.181 3.178 3.184 0.004 9 0 "[ . 1 . 2]" 1
794 1 44 PHE QE 1 58 VAL MG2 2.420 . 2.840 2.049 2.045 2.052 . 0 0 "[ . 1 . 2]" 1
795 1 44 PHE HZ 1 46 VAL MG1 2.620 . 3.240 3.210 3.192 3.219 . 0 0 "[ . 1 . 2]" 1
796 1 44 PHE HZ 1 58 VAL MG2 2.600 . 3.200 3.263 3.259 3.267 0.067 14 0 "[ . 1 . 2]" 1
797 1 45 ALA H 1 45 ALA HA 2.420 . 2.850 2.875 2.873 2.882 0.032 15 0 "[ . 1 . 2]" 1
798 1 45 ALA H 1 45 ALA MB 2.450 . 2.900 2.829 2.816 2.832 . 0 0 "[ . 1 . 2]" 1
799 1 45 ALA H 1 46 VAL H 3.130 . 4.260 4.219 4.212 4.236 . 0 0 "[ . 1 . 2]" 1
800 1 45 ALA H 1 47 LEU MD2 3.750 . 5.500 5.580 5.574 5.588 0.088 8 0 "[ . 1 . 2]" 1
801 1 45 ALA H 1 58 VAL MG2 2.540 2.010 3.070 2.964 2.956 3.000 . 0 0 "[ . 1 . 2]" 1
802 1 45 ALA H 1 59 GLU HG2 2.970 . 3.940 3.800 3.787 3.808 . 0 0 "[ . 1 . 2]" 1
803 1 45 ALA H 1 59 GLU HG3 2.780 2.010 3.550 3.334 3.283 3.366 . 0 0 "[ . 1 . 2]" 1
804 1 45 ALA H 1 60 PHE HA 2.650 . 3.300 3.452 3.431 3.461 0.161 9 0 "[ . 1 . 2]" 1
805 1 45 ALA H 1 60 PHE HB2 3.420 . 4.840 4.878 4.858 4.883 0.043 9 0 "[ . 1 . 2]" 1
806 1 45 ALA H 1 60 PHE HB3 2.810 . 3.620 3.559 3.552 3.564 . 0 0 "[ . 1 . 2]" 1
807 1 45 ALA HA 1 46 VAL H 2.200 . 2.400 2.264 2.260 2.267 . 0 0 "[ . 1 . 2]" 1
808 1 45 ALA HA 1 46 VAL MG2 3.160 . 4.320 3.721 3.715 3.727 . 0 0 "[ . 1 . 2]" 1
809 1 45 ALA MB 1 46 VAL H 2.500 . 3.000 2.921 2.913 2.925 . 0 0 "[ . 1 . 2]" 1
810 1 45 ALA MB 1 46 VAL MG2 2.870 . 3.740 3.605 3.599 3.609 . 0 0 "[ . 1 . 2]" 1
811 1 45 ALA MB 1 59 GLU HG2 2.500 . 3.000 3.075 3.069 3.082 0.082 15 0 "[ . 1 . 2]" 1
812 1 45 ALA MB 1 59 GLU HG3 2.630 . 3.260 3.071 3.054 3.094 . 0 0 "[ . 1 . 2]" 1
813 1 46 VAL H 1 46 VAL HA 2.420 . 2.850 2.840 2.839 2.843 . 0 0 "[ . 1 . 2]" 1
814 1 46 VAL H 1 46 VAL HB 2.840 . 3.680 3.617 3.615 3.620 . 0 0 "[ . 1 . 2]" 1
815 1 46 VAL H 1 46 VAL MG1 2.200 . 2.400 2.291 2.283 2.301 . 0 0 "[ . 1 . 2]" 1
816 1 46 VAL HA 1 46 VAL HB 2.270 . 2.540 2.504 2.503 2.506 . 0 0 "[ . 1 . 2]" 1
817 1 46 VAL HA 1 46 VAL MG1 2.200 . 2.400 2.331 2.329 2.334 . 0 0 "[ . 1 . 2]" 1
818 1 46 VAL HA 1 46 VAL MG2 2.620 . 3.240 3.195 3.194 3.197 . 0 0 "[ . 1 . 2]" 1
819 1 46 VAL HA 1 47 LEU H 2.280 2.010 2.550 2.412 2.407 2.419 . 0 0 "[ . 1 . 2]" 1
820 1 46 VAL HA 1 47 LEU HG 2.820 . 3.640 3.735 3.731 3.740 0.100 15 0 "[ . 1 . 2]" 1
821 1 46 VAL HA 1 58 VAL HA 2.200 . 2.400 2.265 2.262 2.269 . 0 0 "[ . 1 . 2]" 1
822 1 46 VAL HA 1 58 VAL MG2 2.200 . 2.400 2.156 2.147 2.160 . 0 0 "[ . 1 . 2]" 1
823 1 46 VAL HA 1 59 GLU H 2.500 . 3.000 3.050 3.041 3.056 0.056 20 0 "[ . 1 . 2]" 1
824 1 46 VAL HB 1 47 LEU H 2.200 . 2.400 2.410 2.402 2.419 0.019 10 0 "[ . 1 . 2]" 1
825 1 46 VAL HB 1 55 PHE HB3 2.420 . 2.850 2.524 2.517 2.533 . 0 0 "[ . 1 . 2]" 1
826 1 46 VAL HB 1 55 PHE QD 2.620 . 3.240 2.843 2.833 2.856 . 0 0 "[ . 1 . 2]" 1
827 1 46 VAL MG1 1 47 LEU H 2.870 . 3.740 3.576 3.574 3.579 . 0 0 "[ . 1 . 2]" 1
828 1 46 VAL MG1 1 55 PHE HB2 2.420 . 2.850 2.810 2.803 2.817 . 0 0 "[ . 1 . 2]" 1
829 1 46 VAL MG1 1 55 PHE HB3 2.940 . 3.880 3.397 3.386 3.405 . 0 0 "[ . 1 . 2]" 1
830 1 46 VAL MG1 1 55 PHE QD 2.510 . 3.020 2.584 2.574 2.590 . 0 0 "[ . 1 . 2]" 1
831 1 46 VAL MG1 1 55 PHE QE 2.510 . 3.020 3.047 3.042 3.052 0.032 12 0 "[ . 1 . 2]" 1
832 1 46 VAL MG1 1 58 VAL MG2 2.370 . 2.740 2.566 2.555 2.574 . 0 0 "[ . 1 . 2]" 1
833 1 46 VAL MG2 1 47 LEU H 2.780 . 3.560 3.569 3.561 3.577 0.017 10 0 "[ . 1 . 2]" 1
834 1 46 VAL MG2 1 47 LEU HA 3.340 . 4.680 4.194 4.186 4.201 . 0 0 "[ . 1 . 2]" 1
835 1 46 VAL MG2 1 55 PHE HB2 3.250 . 4.500 4.268 4.264 4.273 . 0 0 "[ . 1 . 2]" 1
836 1 46 VAL MG2 1 55 PHE HB3 3.040 . 4.080 3.898 3.889 3.907 . 0 0 "[ . 1 . 2]" 1
837 1 46 VAL MG2 1 55 PHE QD 2.420 . 2.850 2.931 2.925 2.938 0.088 15 0 "[ . 1 . 2]" 1
838 1 46 VAL MG2 1 55 PHE QE 2.460 . 2.920 2.646 2.640 2.656 . 0 0 "[ . 1 . 2]" 1
839 1 46 VAL MG2 1 55 PHE HZ 2.670 . 3.340 2.949 2.944 2.952 . 0 0 "[ . 1 . 2]" 1
840 1 46 VAL MG2 1 58 VAL MG2 3.110 . 4.220 4.203 4.197 4.208 . 0 0 "[ . 1 . 2]" 1
841 1 47 LEU H 1 47 LEU HB2 2.350 . 2.700 2.421 2.416 2.425 . 0 0 "[ . 1 . 2]" 1
842 1 47 LEU H 1 47 LEU HB3 2.970 . 3.940 3.652 3.648 3.655 . 0 0 "[ . 1 . 2]" 1
843 1 47 LEU H 1 47 LEU MD2 3.010 . 4.020 3.969 3.966 3.972 . 0 0 "[ . 1 . 2]" 1
844 1 47 LEU H 1 47 LEU HG 2.590 . 3.180 3.053 3.049 3.057 . 0 0 "[ . 1 . 2]" 1
845 1 47 LEU H 1 48 GLU H 2.570 . 3.140 3.206 3.196 3.212 0.072 4 0 "[ . 1 . 2]" 1
846 1 47 LEU H 1 55 PHE HB2 3.100 . 4.200 4.206 4.201 4.212 0.012 2 0 "[ . 1 . 2]" 1
847 1 47 LEU H 1 55 PHE HB3 2.620 . 3.240 3.109 3.102 3.113 . 0 0 "[ . 1 . 2]" 1
848 1 47 LEU H 1 55 PHE QD 2.980 . 3.960 4.016 4.007 4.027 0.067 19 0 "[ . 1 . 2]" 1
849 1 47 LEU H 1 57 GLY H 2.960 . 3.920 3.814 3.807 3.821 . 0 0 "[ . 1 . 2]" 1
850 1 47 LEU H 1 58 VAL HA 2.320 2.010 2.630 2.277 2.272 2.281 . 0 0 "[ . 1 . 2]" 1
851 1 47 LEU H 1 59 GLU H 3.070 . 4.140 3.842 3.834 3.848 . 0 0 "[ . 1 . 2]" 1
852 1 47 LEU HA 1 47 LEU HB3 2.280 2.010 2.550 2.571 2.569 2.573 0.023 3 0 "[ . 1 . 2]" 1
853 1 47 LEU HA 1 47 LEU MD2 2.200 . 2.400 2.097 2.095 2.099 . 0 0 "[ . 1 . 2]" 1
854 1 47 LEU HB2 1 47 LEU MD1 2.200 . 2.400 2.309 2.304 2.312 . 0 0 "[ . 1 . 2]" 1
855 1 47 LEU HB2 1 47 LEU MD2 2.650 . 3.300 3.218 3.216 3.219 . 0 0 "[ . 1 . 2]" 1
856 1 47 LEU HB2 1 48 GLU H 2.200 . 2.400 1.942 1.939 1.944 0.061 14 0 "[ . 1 . 2]" 1
857 1 47 LEU HB2 1 57 GLY HA3 2.690 . 3.380 3.124 3.121 3.127 . 0 0 "[ . 1 . 2]" 1
858 1 47 LEU HB3 1 47 LEU MD1 2.280 2.010 2.550 2.399 2.395 2.406 . 0 0 "[ . 1 . 2]" 1
859 1 47 LEU HB3 1 47 LEU MD2 2.200 . 2.400 2.280 2.279 2.282 . 0 0 "[ . 1 . 2]" 1
860 1 47 LEU HB3 1 48 GLU H 2.350 . 2.700 2.034 2.024 2.051 . 0 0 "[ . 1 . 2]" 1
861 1 47 LEU HB3 1 57 GLY HA3 3.230 . 4.460 4.344 4.338 4.351 . 0 0 "[ . 1 . 2]" 1
862 1 47 LEU MD1 1 48 GLU H 2.850 . 3.700 3.562 3.557 3.571 . 0 0 "[ . 1 . 2]" 1
863 1 47 LEU MD1 1 57 GLY HA2 3.240 2.010 4.470 4.500 4.489 4.505 0.035 2 0 "[ . 1 . 2]" 1
864 1 47 LEU MD1 1 57 GLY HA3 2.740 . 3.480 3.434 3.419 3.444 . 0 0 "[ . 1 . 2]" 1
865 1 47 LEU MD1 1 58 VAL H 2.710 . 3.420 3.244 3.239 3.249 . 0 0 "[ . 1 . 2]" 1
866 1 47 LEU MD1 1 59 GLU H 2.530 . 3.060 3.111 3.108 3.114 0.054 5 0 "[ . 1 . 2]" 1
867 1 47 LEU MD1 1 59 GLU HA 2.440 . 2.880 2.907 2.899 2.912 0.032 18 0 "[ . 1 . 2]" 1
868 1 47 LEU MD1 1 59 GLU HB2 2.820 . 3.640 3.367 3.362 3.372 . 0 0 "[ . 1 . 2]" 1
869 1 47 LEU MD1 1 59 GLU HB3 2.240 . 2.480 2.089 2.085 2.095 . 0 0 "[ . 1 . 2]" 1
870 1 47 LEU MD2 1 59 GLU H 2.840 . 3.680 3.423 3.418 3.426 . 0 0 "[ . 1 . 2]" 1
871 1 47 LEU MD2 1 59 GLU HB2 2.590 . 3.180 3.316 3.312 3.320 0.140 12 0 "[ . 1 . 2]" 1
872 1 47 LEU MD2 1 59 GLU HB3 2.200 . 2.400 2.162 2.158 2.165 . 0 0 "[ . 1 . 2]" 1
873 1 47 LEU MD2 1 59 GLU HG2 2.200 . 2.400 2.294 2.285 2.308 . 0 0 "[ . 1 . 2]" 1
874 1 47 LEU MD2 1 59 GLU HG3 2.750 . 3.500 3.544 3.538 3.551 0.051 19 0 "[ . 1 . 2]" 1
875 1 47 LEU HG 1 48 GLU H 3.120 . 4.240 4.231 4.229 4.234 . 0 0 "[ . 1 . 2]" 1
876 1 47 LEU HG 1 58 VAL HA 2.200 . 2.400 2.437 2.432 2.442 0.042 15 0 "[ . 1 . 2]" 1
877 1 47 LEU HG 1 59 GLU H 2.530 . 3.060 2.165 2.161 2.168 . 0 0 "[ . 1 . 2]" 1
878 1 48 GLU H 1 48 GLU HA 2.460 . 2.920 2.839 2.837 2.842 . 0 0 "[ . 1 . 2]" 1
879 1 48 GLU H 1 48 GLU QB 2.200 . 2.400 2.312 2.304 2.320 . 0 0 "[ . 1 . 2]" 1
880 1 48 GLU H 1 48 GLU HG3 2.500 . 3.000 2.404 2.384 2.422 . 0 0 "[ . 1 . 2]" 1
881 1 48 GLU H 1 57 GLY H 2.800 . 3.600 3.309 3.290 3.318 . 0 0 "[ . 1 . 2]" 1
882 1 48 GLU H 1 57 GLY HA3 2.750 . 3.500 3.561 3.556 3.567 0.067 15 0 "[ . 1 . 2]" 1
883 1 48 GLU H 1 58 VAL HA 3.240 . 4.480 4.608 4.605 4.611 0.131 12 0 "[ . 1 . 2]" 1
884 1 48 GLU HA 1 48 GLU QB 2.280 2.010 2.550 2.412 2.408 2.416 . 0 0 "[ . 1 . 2]" 1
885 1 48 GLU HA 1 48 GLU HG2 2.350 . 2.700 2.517 2.513 2.521 . 0 0 "[ . 1 . 2]" 1
886 1 48 GLU HA 1 48 GLU HG3 2.370 . 2.740 2.721 2.710 2.729 . 0 0 "[ . 1 . 2]" 1
887 1 48 GLU HA 1 49 PRO HD2 2.200 . 2.400 2.474 2.471 2.481 0.081 19 0 "[ . 1 . 2]" 1
888 1 48 GLU HA 1 49 PRO HD3 2.200 . 2.400 2.270 2.268 2.272 . 0 0 "[ . 1 . 2]" 1
889 1 48 GLU QB 1 48 GLU HG2 2.200 . 2.400 2.307 2.305 2.309 . 0 0 "[ . 1 . 2]" 1
890 1 48 GLU QB 1 48 GLU HG3 2.280 2.010 2.550 2.422 2.421 2.424 . 0 0 "[ . 1 . 2]" 1
891 1 48 GLU QB 1 56 THR H 2.980 . 3.960 3.226 3.213 3.241 . 0 0 "[ . 1 . 2]" 1
892 1 48 GLU QB 1 56 THR MG 2.200 . 2.400 2.063 2.053 2.071 . 0 0 "[ . 1 . 2]" 1
893 1 48 GLU HG2 1 56 THR MG 3.110 . 4.220 4.229 4.226 4.231 0.011 1 0 "[ . 1 . 2]" 1
894 1 49 PRO HA 1 50 CYS H 2.200 . 2.400 2.194 2.190 2.197 . 0 0 "[ . 1 . 2]" 1
895 1 49 PRO HA 1 55 PHE HA 2.420 . 2.840 2.897 2.894 2.900 0.060 15 0 "[ . 1 . 2]" 1
896 1 49 PRO HA 1 55 PHE QD 2.380 . 2.760 2.499 2.491 2.507 . 0 0 "[ . 1 . 2]" 1
897 1 49 PRO HA 1 55 PHE QE 2.720 . 3.440 3.537 3.534 3.540 0.100 14 0 "[ . 1 . 2]" 1
898 1 49 PRO HB2 1 50 CYS H 2.640 . 3.280 3.118 3.111 3.134 . 0 0 "[ . 1 . 2]" 1
899 1 49 PRO HB3 1 55 PHE QD 3.120 . 4.240 4.179 4.173 4.187 . 0 0 "[ . 1 . 2]" 1
900 1 50 CYS H 1 50 CYS HB2 2.470 . 2.940 2.939 2.933 2.949 0.009 19 0 "[ . 1 . 2]" 1
901 1 50 CYS H 1 50 CYS HB3 2.610 . 3.220 2.983 2.974 2.987 . 0 0 "[ . 1 . 2]" 1
902 1 50 CYS H 1 55 PHE HA 2.280 2.010 2.550 2.626 2.615 2.631 0.081 12 0 "[ . 1 . 2]" 1
903 1 50 CYS H 1 55 PHE QD 2.880 . 3.760 3.846 3.841 3.852 0.092 4 0 "[ . 1 . 2]" 1
904 1 50 CYS H 1 55 PHE QE 3.310 . 4.620 4.634 4.630 4.638 0.018 19 0 "[ . 1 . 2]" 1
905 1 50 CYS H 1 56 THR H 3.380 . 4.760 3.744 3.736 3.749 . 0 0 "[ . 1 . 2]" 1
906 1 50 CYS H 1 56 THR MG 3.010 . 4.020 3.634 3.631 3.637 . 0 0 "[ . 1 . 2]" 1
907 1 50 CYS HA 1 50 CYS HB2 2.420 . 2.850 2.639 2.633 2.642 . 0 0 "[ . 1 . 2]" 1
908 1 50 CYS HA 1 50 CYS HB3 2.500 . 3.000 2.986 2.984 2.988 . 0 0 "[ . 1 . 2]" 1
909 1 50 CYS HA 1 51 ALA H 2.440 . 2.880 2.742 2.740 2.745 . 0 0 "[ . 1 . 2]" 1
910 1 50 CYS HB2 1 51 ALA H 3.000 . 4.000 3.661 3.659 3.664 . 0 0 "[ . 1 . 2]" 1
911 1 50 CYS HB2 1 56 THR MG 2.200 . 2.400 2.258 2.257 2.260 . 0 0 "[ . 1 . 2]" 1
912 1 50 CYS HB3 1 51 ALA H 2.690 . 3.380 2.636 2.629 2.648 . 0 0 "[ . 1 . 2]" 1
913 1 51 ALA H 1 51 ALA HA 2.350 . 2.700 2.677 2.676 2.679 . 0 0 "[ . 1 . 2]" 1
914 1 51 ALA H 1 51 ALA MB 2.200 . 2.400 2.196 2.191 2.202 . 0 0 "[ . 1 . 2]" 1
915 1 51 ALA H 1 54 MET HB2 2.780 2.010 3.550 3.020 3.015 3.024 . 0 0 "[ . 1 . 2]" 1
916 1 51 ALA H 1 54 MET HB3 2.970 . 3.940 3.987 3.983 3.991 0.051 18 0 "[ . 1 . 2]" 1
917 1 51 ALA HA 1 52 LEU H 2.210 . 2.420 2.343 2.337 2.351 . 0 0 "[ . 1 . 2]" 1
918 1 51 ALA MB 1 52 LEU H 2.340 . 2.690 2.456 2.443 2.467 . 0 0 "[ . 1 . 2]" 1
919 1 51 ALA MB 1 53 ASP H 2.750 . 3.500 3.447 3.441 3.452 . 0 0 "[ . 1 . 2]" 1
920 1 51 ALA MB 1 54 MET HG3 2.450 . 2.900 2.937 2.930 2.946 0.046 18 0 "[ . 1 . 2]" 1
921 1 52 LEU H 1 52 LEU HA 2.290 . 2.580 2.545 2.541 2.549 . 0 0 "[ . 1 . 2]" 1
922 1 52 LEU H 1 52 LEU HB2 2.280 . 2.560 2.289 2.252 2.367 . 0 0 "[ . 1 . 2]" 1
923 1 52 LEU H 1 52 LEU HB3 2.760 . 3.520 3.159 3.044 3.209 . 0 0 "[ . 1 . 2]" 1
924 1 52 LEU H 1 52 LEU QD 3.010 2.010 4.010 3.485 3.191 3.793 . 0 0 "[ . 1 . 2]" 1
925 1 52 LEU H 1 53 ASP H 2.860 . 3.720 3.597 3.591 3.601 . 0 0 "[ . 1 . 2]" 1
926 1 52 LEU HA 1 52 LEU HB2 2.280 2.010 2.550 2.593 2.529 2.624 0.074 4 0 "[ . 1 . 2]" 1
927 1 52 LEU HA 1 52 LEU QD 2.200 . 2.400 2.213 1.987 2.418 0.018 10 0 "[ . 1 . 2]" 1
928 1 52 LEU HB2 1 52 LEU QD 2.260 . 2.520 2.202 2.103 2.289 . 0 0 "[ . 1 . 2]" 1
929 1 52 LEU HB2 1 53 ASP H 2.840 . 3.680 3.400 3.359 3.481 . 0 0 "[ . 1 . 2]" 1
930 1 52 LEU HB3 1 52 LEU QD 2.200 . 2.400 2.216 2.090 2.330 . 0 0 "[ . 1 . 2]" 1
931 1 52 LEU HB3 1 53 ASP H 2.510 . 3.020 1.995 1.965 2.010 0.035 12 0 "[ . 1 . 2]" 1
932 1 52 LEU QD 1 53 ASP QB 2.260 . 2.520 2.490 2.349 2.630 0.110 16 0 "[ . 1 . 2]" 1
933 1 53 ASP H 1 53 ASP HB2 2.960 . 3.920 3.209 2.834 3.767 . 0 0 "[ . 1 . 2]" 1
934 1 53 ASP H 1 53 ASP QB 2.500 . 3.000 2.646 2.484 2.965 . 0 0 "[ . 1 . 2]" 1
935 1 53 ASP H 1 53 ASP HB3 2.710 . 3.420 2.835 2.658 3.108 . 0 0 "[ . 1 . 2]" 1
936 1 53 ASP H 1 54 MET H 2.730 . 3.460 3.420 3.410 3.426 . 0 0 "[ . 1 . 2]" 1
937 1 53 ASP H 1 54 MET HG3 2.710 . 3.420 3.328 3.315 3.337 . 0 0 "[ . 1 . 2]" 1
938 1 53 ASP HA 1 53 ASP QB 2.260 . 2.520 2.335 2.187 2.444 . 0 0 "[ . 1 . 2]" 1
939 1 53 ASP HA 1 54 MET H 2.280 2.010 2.550 2.480 2.472 2.485 . 0 0 "[ . 1 . 2]" 1
940 1 53 ASP QB 1 54 MET HG3 3.260 . 4.520 3.918 3.645 4.397 . 0 0 "[ . 1 . 2]" 1
941 1 54 MET H 1 54 MET HB2 2.510 . 3.020 2.901 2.895 2.903 . 0 0 "[ . 1 . 2]" 1
942 1 54 MET H 1 54 MET HB3 3.080 . 4.160 3.907 3.904 3.910 . 0 0 "[ . 1 . 2]" 1
943 1 54 MET H 1 54 MET HG3 2.820 . 3.640 3.652 3.644 3.660 0.020 10 0 "[ . 1 . 2]" 1
944 1 54 MET H 1 55 PHE H 3.250 . 4.500 4.381 4.380 4.383 . 0 0 "[ . 1 . 2]" 1
945 1 54 MET HA 1 54 MET HB3 2.280 2.010 2.550 2.547 2.544 2.550 . 0 0 "[ . 1 . 2]" 1
946 1 54 MET HA 1 54 MET HG2 2.260 . 2.520 2.286 2.283 2.288 . 0 0 "[ . 1 . 2]" 1
947 1 54 MET HA 1 55 PHE H 2.300 . 2.600 2.380 2.378 2.382 . 0 0 "[ . 1 . 2]" 1
948 1 54 MET HA 1 55 PHE QD 2.650 . 3.300 3.107 3.092 3.124 . 0 0 "[ . 1 . 2]" 1
949 1 54 MET HA 1 55 PHE QE 3.160 2.010 4.310 3.992 3.978 4.011 . 0 0 "[ . 1 . 2]" 1
950 1 54 MET HB2 1 54 MET HG3 2.200 . 2.400 2.345 2.343 2.347 . 0 0 "[ . 1 . 2]" 1
951 1 54 MET HB2 1 55 PHE H 2.910 . 3.820 3.783 3.777 3.787 . 0 0 "[ . 1 . 2]" 1
952 1 54 MET HB3 1 54 MET HG2 2.350 . 2.700 2.607 2.604 2.611 . 0 0 "[ . 1 . 2]" 1
953 1 54 MET HB3 1 54 MET HG3 2.500 . 3.000 3.009 3.007 3.010 0.010 17 0 "[ . 1 . 2]" 1
954 1 54 MET HB3 1 55 PHE H 2.280 2.010 2.550 2.490 2.484 2.494 . 0 0 "[ . 1 . 2]" 1
955 1 54 MET ME 1 54 MET HG2 2.200 . 2.400 2.199 2.197 2.202 . 0 0 "[ . 1 . 2]" 1
956 1 54 MET HG2 1 55 PHE H 3.070 . 4.140 3.871 3.868 3.873 . 0 0 "[ . 1 . 2]" 1
957 1 55 PHE H 1 55 PHE HB2 2.460 . 2.920 2.709 2.706 2.710 . 0 0 "[ . 1 . 2]" 1
958 1 55 PHE H 1 55 PHE HB3 2.960 . 3.920 3.827 3.826 3.829 . 0 0 "[ . 1 . 2]" 1
959 1 55 PHE H 1 55 PHE QD 2.480 . 2.960 2.864 2.852 2.877 . 0 0 "[ . 1 . 2]" 1
960 1 55 PHE H 1 56 THR H 3.170 . 4.340 4.331 4.327 4.335 . 0 0 "[ . 1 . 2]" 1
961 1 55 PHE HA 1 55 PHE HB3 2.280 2.010 2.550 2.464 2.462 2.466 . 0 0 "[ . 1 . 2]" 1
962 1 55 PHE HA 1 55 PHE QD 2.500 . 3.000 2.769 2.760 2.777 . 0 0 "[ . 1 . 2]" 1
963 1 55 PHE HA 1 56 THR H 2.200 . 2.400 2.166 2.162 2.169 . 0 0 "[ . 1 . 2]" 1
964 1 55 PHE HA 1 56 THR MG 2.860 . 3.720 3.249 3.244 3.256 . 0 0 "[ . 1 . 2]" 1
965 1 55 PHE HA 1 57 GLY H 2.890 . 3.780 3.720 3.716 3.725 . 0 0 "[ . 1 . 2]" 1
966 1 55 PHE HB2 1 57 GLY H 2.850 . 3.700 3.625 3.621 3.628 . 0 0 "[ . 1 . 2]" 1
967 1 55 PHE HB3 1 56 THR H 2.620 . 3.240 3.225 3.218 3.230 . 0 0 "[ . 1 . 2]" 1
968 1 55 PHE HB3 1 57 GLY H 2.340 . 2.690 2.696 2.692 2.701 0.011 5 0 "[ . 1 . 2]" 1
969 1 55 PHE QD 1 56 THR H 3.090 . 4.180 4.035 4.027 4.044 . 0 0 "[ . 1 . 2]" 1
970 1 56 THR H 1 56 THR HB 2.880 . 3.760 3.474 3.471 3.477 . 0 0 "[ . 1 . 2]" 1
971 1 56 THR H 1 57 GLY H 2.510 . 3.020 2.609 2.603 2.615 . 0 0 "[ . 1 . 2]" 1
972 1 56 THR HA 1 56 THR MG 2.420 . 2.850 2.825 2.823 2.827 . 0 0 "[ . 1 . 2]" 1
973 1 56 THR HA 1 57 GLY H 2.740 . 3.480 3.425 3.424 3.427 . 0 0 "[ . 1 . 2]" 1
974 1 56 THR HB 1 57 GLY H 3.280 . 4.560 4.419 4.416 4.422 . 0 0 "[ . 1 . 2]" 1
975 1 56 THR MG 1 57 GLY H 2.740 . 3.480 3.327 3.321 3.332 . 0 0 "[ . 1 . 2]" 1
976 1 57 GLY H 1 57 GLY HA3 2.340 . 2.680 2.720 2.718 2.721 0.041 8 0 "[ . 1 . 2]" 1
977 1 57 GLY H 1 58 VAL H 3.220 2.010 4.430 4.371 4.369 4.373 . 0 0 "[ . 1 . 2]" 1
978 1 57 GLY HA2 1 58 VAL H 2.200 . 2.400 2.392 2.390 2.395 . 0 0 "[ . 1 . 2]" 1
979 1 57 GLY HA3 1 58 VAL H 2.500 . 3.000 2.788 2.785 2.792 . 0 0 "[ . 1 . 2]" 1
980 1 58 VAL H 1 58 VAL HB 2.660 . 3.320 3.287 3.285 3.290 . 0 0 "[ . 1 . 2]" 1
981 1 58 VAL H 1 58 VAL MG1 2.200 . 2.400 2.303 2.300 2.307 . 0 0 "[ . 1 . 2]" 1
982 1 58 VAL H 1 59 GLU H 3.180 . 4.360 4.371 4.369 4.372 0.012 5 0 "[ . 1 . 2]" 1
983 1 58 VAL HA 1 58 VAL HB 2.280 . 2.560 2.458 2.456 2.460 . 0 0 "[ . 1 . 2]" 1
984 1 58 VAL HA 1 58 VAL MG2 2.200 . 2.400 2.342 2.340 2.343 . 0 0 "[ . 1 . 2]" 1
985 1 58 VAL HA 1 59 GLU H 2.380 . 2.770 2.197 2.195 2.199 . 0 0 "[ . 1 . 2]" 1
986 1 58 VAL MG1 1 59 GLU H 2.890 . 3.780 3.792 3.790 3.795 0.015 19 0 "[ . 1 . 2]" 1
987 1 58 VAL MG1 1 59 GLU HA 3.010 . 4.020 3.988 3.984 3.992 . 0 0 "[ . 1 . 2]" 1
988 1 58 VAL MG1 1 60 PHE QD 2.420 . 2.850 2.879 2.871 2.893 0.043 15 0 "[ . 1 . 2]" 1
989 1 58 VAL MG1 1 60 PHE QE 2.730 . 3.460 2.911 2.872 2.968 . 0 0 "[ . 1 . 2]" 1
990 1 58 VAL MG2 1 59 GLU H 2.200 . 2.400 1.973 1.969 1.976 0.031 13 0 "[ . 1 . 2]" 1
991 1 58 VAL MG2 1 59 GLU HA 3.270 . 4.540 3.832 3.828 3.835 . 0 0 "[ . 1 . 2]" 1
992 1 58 VAL MG2 1 60 PHE HB3 2.870 . 3.740 3.400 3.392 3.404 . 0 0 "[ . 1 . 2]" 1
993 1 59 GLU H 1 59 GLU HB2 2.970 . 3.940 3.744 3.741 3.746 . 0 0 "[ . 1 . 2]" 1
994 1 59 GLU H 1 59 GLU HB3 2.420 . 2.840 2.888 2.882 2.894 0.054 12 0 "[ . 1 . 2]" 1
995 1 59 GLU H 1 59 GLU HG2 2.480 . 2.960 2.185 2.177 2.195 . 0 0 "[ . 1 . 2]" 1
996 1 59 GLU H 1 59 GLU HG3 2.710 . 3.420 3.182 3.162 3.202 . 0 0 "[ . 1 . 2]" 1
997 1 59 GLU HA 1 59 GLU HB2 2.200 . 2.400 2.400 2.395 2.404 0.004 17 0 "[ . 1 . 2]" 1
998 1 59 GLU HA 1 59 GLU HB3 2.280 2.010 2.550 2.495 2.491 2.500 . 0 0 "[ . 1 . 2]" 1
999 1 59 GLU HA 1 59 GLU HG2 2.980 . 3.960 3.795 3.792 3.797 . 0 0 "[ . 1 . 2]" 1
1000 1 59 GLU HA 1 59 GLU HG3 2.860 . 3.720 3.703 3.701 3.705 . 0 0 "[ . 1 . 2]" 1
1001 1 59 GLU HA 1 60 PHE H 2.200 . 2.400 2.212 2.209 2.215 . 0 0 "[ . 1 . 2]" 1
1002 1 59 GLU HA 1 60 PHE QD 2.510 2.010 3.010 2.800 2.788 2.810 . 0 0 "[ . 1 . 2]" 1
1003 1 59 GLU HA 1 60 PHE QE 3.020 . 4.040 3.973 3.962 3.995 . 0 0 "[ . 1 . 2]" 1
1004 1 59 GLU HB2 1 60 PHE H 2.550 . 3.100 3.062 3.050 3.077 . 0 0 "[ . 1 . 2]" 1
1005 1 59 GLU HG3 1 60 PHE H 2.960 . 3.920 3.984 3.978 3.990 0.070 17 0 "[ . 1 . 2]" 1
1006 1 60 PHE H 1 60 PHE HB2 3.000 . 4.000 3.920 3.915 3.931 . 0 0 "[ . 1 . 2]" 1
1007 1 60 PHE H 1 60 PHE HB3 2.820 . 3.640 3.502 3.492 3.506 . 0 0 "[ . 1 . 2]" 1
1008 1 60 PHE H 1 60 PHE QD 2.370 . 2.740 2.561 2.527 2.577 . 0 0 "[ . 1 . 2]" 1
1009 1 60 PHE HA 1 60 PHE HB2 2.280 2.010 2.550 2.513 2.506 2.517 . 0 0 "[ . 1 . 2]" 1
1010 1 60 PHE HA 1 60 PHE HB3 2.200 . 2.400 2.380 2.376 2.388 . 0 0 "[ . 1 . 2]" 1
1011 1 60 PHE HA 1 60 PHE QD 2.870 . 3.740 3.636 3.634 3.640 . 0 0 "[ . 1 . 2]" 1
1012 1 60 PHE HA 1 61 VAL H 2.200 . 2.400 2.216 2.211 2.223 . 0 0 "[ . 1 . 2]" 1
1013 1 60 PHE HA 1 61 VAL MG2 2.790 2.010 3.570 3.478 3.421 3.492 . 0 0 "[ . 1 . 2]" 1
1014 1 60 PHE HB2 1 61 VAL H 2.410 . 2.820 2.841 2.837 2.849 0.029 15 0 "[ . 1 . 2]" 1
1015 1 60 PHE QD 1 61 VAL H 3.160 2.010 4.310 4.183 4.166 4.191 . 0 0 "[ . 1 . 2]" 1
1016 1 61 VAL H 1 61 VAL HB 2.350 . 2.700 2.469 2.461 2.512 . 0 0 "[ . 1 . 2]" 1
1017 1 61 VAL H 1 61 VAL MG2 2.350 . 2.700 2.570 2.505 2.589 . 0 0 "[ . 1 . 2]" 1
1018 1 61 VAL H 1 62 CYS H 3.290 . 4.580 4.557 4.556 4.559 . 0 0 "[ . 1 . 2]" 1
1019 1 61 VAL HA 1 61 VAL MG1 2.280 2.010 2.550 2.357 2.312 2.367 . 0 0 "[ . 1 . 2]" 1
1020 1 61 VAL HA 1 61 VAL MG2 2.200 . 2.400 2.371 2.364 2.405 0.005 15 0 "[ . 1 . 2]" 1
1021 1 61 VAL HA 1 62 CYS H 2.220 . 2.440 2.250 2.246 2.264 . 0 0 "[ . 1 . 2]" 1
1022 1 61 VAL HB 1 62 CYS H 3.090 . 4.180 3.910 3.820 3.934 . 0 0 "[ . 1 . 2]" 1
1023 1 61 VAL MG1 1 62 CYS H 2.280 2.010 2.550 2.076 2.019 2.092 . 0 0 "[ . 1 . 2]" 1
1024 1 61 VAL MG1 1 63 CYS HA 3.250 . 4.500 4.373 4.366 4.383 . 0 0 "[ . 1 . 2]" 1
1025 1 62 CYS H 1 62 CYS HB2 2.420 . 2.850 2.490 2.482 2.517 . 0 0 "[ . 1 . 2]" 1
1026 1 62 CYS H 1 62 CYS HB3 2.880 . 3.760 3.689 3.683 3.705 . 0 0 "[ . 1 . 2]" 1
1027 1 62 CYS H 1 63 CYS H 3.290 . 4.580 4.500 4.489 4.503 . 0 0 "[ . 1 . 2]" 1
1028 1 62 CYS HA 1 62 CYS HB2 2.510 2.010 3.010 3.019 3.016 3.020 0.010 13 0 "[ . 1 . 2]" 1
1029 1 62 CYS HA 1 62 CYS HB3 2.450 . 2.900 2.557 2.555 2.559 . 0 0 "[ . 1 . 2]" 1
1030 1 62 CYS HA 1 63 CYS H 2.200 . 2.400 2.302 2.297 2.306 . 0 0 "[ . 1 . 2]" 1
1031 1 62 CYS HB2 1 63 CYS H 3.080 . 4.160 3.971 3.965 3.979 . 0 0 "[ . 1 . 2]" 1
1032 1 62 CYS HB3 1 63 CYS H 2.440 . 2.880 2.747 2.738 2.760 . 0 0 "[ . 1 . 2]" 1
1033 1 63 CYS H 1 63 CYS HB2 2.650 . 3.300 2.680 2.667 2.693 . 0 0 "[ . 1 . 2]" 1
1034 1 63 CYS H 1 63 CYS HB3 3.010 2.010 4.010 3.781 3.772 3.794 . 0 0 "[ . 1 . 2]" 1
1035 1 63 CYS HA 1 63 CYS HB2 2.490 . 2.980 3.005 3.003 3.006 0.026 16 0 "[ . 1 . 2]" 1
1036 1 63 CYS HA 1 63 CYS HB3 2.420 . 2.850 2.593 2.581 2.599 . 0 0 "[ . 1 . 2]" 1
1037 1 63 CYS HA 1 64 PRO HD2 2.760 . 3.520 2.459 2.434 2.491 . 0 0 "[ . 1 . 2]" 1
1038 1 63 CYS HA 1 64 PRO HD3 2.200 . 2.400 2.306 2.300 2.312 . 0 0 "[ . 1 . 2]" 1
1039 1 63 CYS HB2 1 65 ASN H 3.120 . 4.240 3.350 3.312 3.362 . 0 0 "[ . 1 . 2]" 1
1040 1 63 CYS HB3 1 64 PRO HD2 2.450 . 2.900 2.548 2.507 2.598 . 0 0 "[ . 1 . 2]" 1
1041 1 63 CYS HB3 1 65 ASN H 2.430 . 2.860 2.434 2.423 2.442 . 0 0 "[ . 1 . 2]" 1
1042 1 63 CYS HB3 1 65 ASN HD21 2.940 . 3.880 3.665 3.623 3.690 . 0 0 "[ . 1 . 2]" 1
1043 1 64 PRO HB2 1 65 ASN H 3.140 . 4.280 4.114 4.107 4.124 . 0 0 "[ . 1 . 2]" 1
1044 1 64 PRO HD2 1 65 ASN H 2.520 . 3.040 3.023 2.997 3.042 0.002 17 0 "[ . 1 . 2]" 1
1045 1 64 PRO HG2 1 65 ASN H 2.730 . 3.460 3.446 3.423 3.466 0.006 17 0 "[ . 1 . 2]" 1
1046 1 64 PRO HG3 1 65 ASN H 3.560 . 5.120 4.689 4.673 4.703 . 0 0 "[ . 1 . 2]" 1
1047 1 65 ASN H 1 65 ASN HA 2.410 . 2.820 2.748 2.744 2.752 . 0 0 "[ . 1 . 2]" 1
1048 1 65 ASN H 1 65 ASN HB2 2.240 . 2.480 2.355 2.351 2.359 . 0 0 "[ . 1 . 2]" 1
1049 1 65 ASN H 1 65 ASN HB3 2.820 . 3.640 3.572 3.571 3.575 . 0 0 "[ . 1 . 2]" 1
1050 1 65 ASN H 1 65 ASN HD22 3.260 2.010 4.510 4.418 4.408 4.425 . 0 0 "[ . 1 . 2]" 1
1051 1 65 ASN HA 1 65 ASN HB3 2.350 . 2.700 2.601 2.598 2.604 . 0 0 "[ . 1 . 2]" 1
1052 1 65 ASN HA 1 65 ASN HD21 3.270 . 4.540 4.415 4.413 4.416 . 0 0 "[ . 1 . 2]" 1
1053 1 65 ASN HB2 1 65 ASN HD21 2.240 . 2.480 2.503 2.500 2.505 0.025 20 0 "[ . 1 . 2]" 1
1054 1 65 ASN HB2 1 65 ASN HD22 2.820 . 3.640 3.600 3.599 3.602 . 0 0 "[ . 1 . 2]" 1
1055 1 65 ASN HB3 1 65 ASN HD21 2.380 . 2.760 2.787 2.785 2.790 0.030 2 0 "[ . 1 . 2]" 1
1056 1 65 ASN HB3 1 65 ASN HD22 2.920 . 3.840 3.724 3.722 3.726 . 0 0 "[ . 1 . 2]" 1
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