NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
589921 |
2n17   |
18896 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n17
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 445
_Distance_constraint_stats_list.Viol_count 1000
_Distance_constraint_stats_list.Viol_total 1226.717
_Distance_constraint_stats_list.Viol_max 0.421
_Distance_constraint_stats_list.Viol_rms 0.0675
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0276
_Distance_constraint_stats_list.Viol_average_violations_only 0.1227
_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 18 CYS 7.152 0.278 2 0 "[ . 1]"
1 19 GLN 8.808 0.278 2 0 "[ . 1]"
1 20 LEU 8.093 0.372 8 0 "[ . 1]"
1 21 PHE 5.225 0.372 8 0 "[ . 1]"
1 22 CYS 1.168 0.152 5 0 "[ . 1]"
1 23 PRO 0.566 0.084 1 0 "[ . 1]"
1 24 MET 0.160 0.082 6 0 "[ . 1]"
1 25 ILE 2.694 0.309 9 0 "[ . 1]"
1 26 TYR 3.660 0.400 3 0 "[ . 1]"
1 27 ALA 3.535 0.400 3 0 "[ . 1]"
1 29 ILE 2.379 0.396 7 0 "[ . 1]"
1 30 CYS 5.595 0.274 7 0 "[ . 1]"
1 31 ALA 3.712 0.249 10 0 "[ . 1]"
1 32 THR 8.377 0.252 7 0 "[ . 1]"
1 33 ASP 3.917 0.351 2 0 "[ . 1]"
1 34 GLY 1.571 0.252 7 0 "[ . 1]"
1 35 VAL 5.648 0.360 10 0 "[ . 1]"
1 36 SER 0.885 0.308 6 0 "[ . 1]"
1 37 GLN 9.817 0.261 8 0 "[ . 1]"
1 38 ARG 10.008 0.351 2 0 "[ . 1]"
1 39 THR 1.235 0.106 8 0 "[ . 1]"
1 40 PHE 3.842 0.191 3 0 "[ . 1]"
1 41 SER 0.298 0.054 6 0 "[ . 1]"
1 42 ASN 6.467 0.396 7 0 "[ . 1]"
1 44 CYS 0.266 0.084 1 0 "[ . 1]"
1 45 ASP 0.000 0.000 . 0 "[ . 1]"
1 46 LEU 11.104 0.421 2 0 "[ . 1]"
1 47 LYS 11.122 0.421 2 0 "[ . 1]"
1 48 VAL 7.577 0.391 1 0 "[ . 1]"
1 49 TYR 6.834 0.391 1 0 "[ . 1]"
1 50 ASN 10.336 0.323 5 0 "[ . 1]"
1 51 CYS 5.467 0.304 9 0 "[ . 1]"
1 52 TRP 16.369 0.328 6 0 "[ . 1]"
1 53 ASN 14.109 0.328 6 0 "[ . 1]"
1 54 PRO 3.372 0.198 1 0 "[ . 1]"
1 55 ASP 1.803 0.198 1 0 "[ . 1]"
1 56 ASN 0.890 0.122 9 0 "[ . 1]"
1 57 PRO 0.000 0.000 . 0 "[ . 1]"
1 58 TYR 2.427 0.150 2 0 "[ . 1]"
1 59 LYS 1.868 0.122 2 0 "[ . 1]"
1 60 GLU 1.097 0.279 3 0 "[ . 1]"
1 61 VAL 1.527 0.160 5 0 "[ . 1]"
1 62 LYS 3.274 0.274 7 0 "[ . 1]"
1 63 VAL 2.415 0.221 6 0 "[ . 1]"
1 64 GLY 1.128 0.208 7 0 "[ . 1]"
1 65 GLU 2.017 0.220 5 0 "[ . 1]"
1 66 CYS 4.256 0.220 5 0 "[ . 1]"
1 67 ASP 0.000 0.000 . 0 "[ . 1]"
1 69 ALA 0.000 0.000 . 0 "[ . 1]"
1 70 ASN 1.679 0.180 9 0 "[ . 1]"
1 71 LYS 1.679 0.180 9 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 CYS H 1 18 CYS HB2 4.240 . 4.240 3.197 3.180 3.218 . 0 0 "[ . 1]" 1
2 1 18 CYS H 1 18 CYS HB3 4.270 . 4.270 4.045 4.039 4.051 . 0 0 "[ . 1]" 1
3 1 18 CYS H 1 19 GLN H 3.890 . 3.890 3.996 3.990 4.001 0.111 4 0 "[ . 1]" 1
4 1 18 CYS H 1 19 GLN HB3 4.340 . 4.340 4.580 4.527 4.618 0.278 2 0 "[ . 1]" 1
5 1 18 CYS H 1 19 GLN HG3 4.540 . 4.540 4.644 4.608 4.699 0.159 10 0 "[ . 1]" 1
6 1 18 CYS HB2 1 19 GLN H 4.310 . 4.310 3.889 3.844 3.911 . 0 0 "[ . 1]" 1
7 1 18 CYS HB2 1 20 LEU H 4.600 . 4.600 4.837 4.819 4.855 0.255 2 0 "[ . 1]" 1
8 1 18 CYS HB3 1 19 GLN H 4.460 . 4.460 3.173 3.128 3.204 . 0 0 "[ . 1]" 1
9 1 18 CYS HB3 1 20 LEU H 4.830 . 4.830 4.856 4.804 4.891 0.061 7 0 "[ . 1]" 1
10 1 19 GLN H 1 19 GLN HB3 3.220 . 3.220 3.400 3.380 3.413 0.193 8 0 "[ . 1]" 1
11 1 19 GLN H 1 19 GLN HG2 3.530 . 3.530 3.551 3.529 3.592 0.062 4 0 "[ . 1]" 1
12 1 19 GLN H 1 19 GLN HG3 3.580 . 3.580 1.951 1.916 1.984 . 0 0 "[ . 1]" 1
13 1 19 GLN H 1 20 LEU H 3.780 . 3.780 3.918 3.902 3.926 0.146 4 0 "[ . 1]" 1
14 1 19 GLN HA 1 20 LEU H 2.970 . 2.970 2.051 2.025 2.072 . 0 0 "[ . 1]" 1
15 1 19 GLN HB3 1 19 GLN HE22 5.070 . 5.070 5.040 4.821 5.161 0.091 7 0 "[ . 1]" 1
16 1 19 GLN HB3 1 20 LEU H 4.250 . 4.250 4.191 4.158 4.225 . 0 0 "[ . 1]" 1
17 1 19 GLN HE22 1 19 GLN HG3 3.850 . 3.850 3.669 3.455 4.028 0.178 4 0 "[ . 1]" 1
18 1 19 GLN HG2 1 21 PHE QE 5.790 . 5.790 4.408 3.785 4.980 . 0 0 "[ . 1]" 1
19 1 19 GLN HG3 1 21 PHE QE 5.430 . 5.430 4.591 4.232 5.445 0.015 10 0 "[ . 1]" 1
20 1 20 LEU H 1 20 LEU HB2 3.030 . 3.030 2.535 2.323 2.632 . 0 0 "[ . 1]" 1
21 1 20 LEU H 1 20 LEU HB3 3.650 . 3.650 2.662 2.559 2.696 . 0 0 "[ . 1]" 1
22 1 20 LEU H 1 20 LEU MD1 4.850 . 4.850 4.289 4.208 4.321 . 0 0 "[ . 1]" 1
23 1 20 LEU H 1 20 LEU MD2 4.970 . 4.970 4.129 3.992 4.194 . 0 0 "[ . 1]" 1
24 1 20 LEU H 1 21 PHE H 3.730 . 3.730 4.065 4.019 4.102 0.372 8 0 "[ . 1]" 1
25 1 20 LEU HA 1 21 PHE H 2.960 . 2.960 2.072 2.058 2.096 . 0 0 "[ . 1]" 1
26 1 20 LEU MD1 1 21 PHE HB3 5.160 . 5.160 5.016 4.843 5.307 0.147 10 0 "[ . 1]" 1
27 1 20 LEU MD2 1 21 PHE HB3 5.470 . 5.470 5.526 5.498 5.568 0.098 10 0 "[ . 1]" 1
28 1 21 PHE H 1 21 PHE HB3 3.520 . 3.520 3.289 3.040 3.744 0.224 10 0 "[ . 1]" 1
29 1 21 PHE H 1 21 PHE QD 5.330 . 5.330 2.815 2.499 3.204 . 0 0 "[ . 1]" 1
30 1 21 PHE H 1 22 CYS H 3.770 . 3.770 3.860 3.752 3.922 0.152 5 0 "[ . 1]" 1
31 1 21 PHE HA 1 22 CYS H 2.830 . 2.830 2.144 2.109 2.203 . 0 0 "[ . 1]" 1
32 1 22 CYS H 1 22 CYS HB2 4.040 . 4.040 2.478 2.313 2.625 . 0 0 "[ . 1]" 1
33 1 22 CYS H 1 22 CYS HB3 3.830 . 3.830 3.648 3.506 3.770 . 0 0 "[ . 1]" 1
34 1 22 CYS H 1 23 PRO HD3 4.300 . 4.300 4.011 3.672 4.277 . 0 0 "[ . 1]" 1
35 1 22 CYS HA 1 23 PRO HD2 3.280 . 3.280 2.711 2.546 2.766 . 0 0 "[ . 1]" 1
36 1 22 CYS HA 1 23 PRO HD3 3.280 . 3.280 2.127 2.038 2.212 . 0 0 "[ . 1]" 1
37 1 22 CYS HB3 1 23 PRO HD2 4.360 . 4.360 4.298 3.884 4.438 0.078 7 0 "[ . 1]" 1
38 1 23 PRO HA 1 24 MET H 3.210 . 3.210 2.373 2.277 2.516 . 0 0 "[ . 1]" 1
39 1 23 PRO HB2 1 24 MET H 4.360 . 4.360 3.176 2.717 3.462 . 0 0 "[ . 1]" 1
40 1 23 PRO HB3 1 24 MET H 4.270 . 4.270 3.429 3.265 3.630 . 0 0 "[ . 1]" 1
41 1 23 PRO HD2 1 44 CYS H 4.080 . 4.080 3.966 3.610 4.164 0.084 1 0 "[ . 1]" 1
42 1 23 PRO HD3 1 23 PRO HG2 2.740 . 2.740 2.700 2.669 2.799 0.059 10 0 "[ . 1]" 1
43 1 23 PRO HD3 1 23 PRO HG3 3.100 . 3.100 2.299 2.251 2.312 . 0 0 "[ . 1]" 1
44 1 24 MET H 1 24 MET HB2 4.000 . 4.000 2.663 2.352 3.701 . 0 0 "[ . 1]" 1
45 1 24 MET H 1 24 MET HB3 3.660 . 3.660 3.395 2.969 3.656 . 0 0 "[ . 1]" 1
46 1 24 MET H 1 24 MET HG2 4.780 . 4.780 3.848 2.027 4.685 . 0 0 "[ . 1]" 1
47 1 24 MET H 1 24 MET HG3 4.780 . 4.780 3.483 2.872 4.375 . 0 0 "[ . 1]" 1
48 1 24 MET H 1 25 ILE H 4.180 . 4.180 4.021 3.978 4.048 . 0 0 "[ . 1]" 1
49 1 24 MET HA 1 25 ILE H 2.800 . 2.800 2.194 2.146 2.217 . 0 0 "[ . 1]" 1
50 1 24 MET HB3 1 25 ILE H 4.310 . 4.310 4.147 4.002 4.392 0.082 6 0 "[ . 1]" 1
51 1 24 MET HG3 1 25 ILE H 5.050 . 5.050 4.777 4.343 5.045 . 0 0 "[ . 1]" 1
52 1 25 ILE H 1 25 ILE HB 3.330 . 3.330 3.157 2.944 3.501 0.171 8 0 "[ . 1]" 1
53 1 25 ILE H 1 26 TYR H 5.060 . 5.060 4.292 4.152 4.365 . 0 0 "[ . 1]" 1
54 1 25 ILE H 1 42 ASN HB2 4.770 . 4.770 4.936 4.807 5.079 0.309 9 0 "[ . 1]" 1
55 1 25 ILE H 1 42 ASN HD21 4.220 . 4.220 4.194 3.851 4.313 0.093 5 0 "[ . 1]" 1
56 1 25 ILE H 1 42 ASN HD22 3.760 . 3.760 3.334 2.292 3.794 0.034 6 0 "[ . 1]" 1
57 1 25 ILE HA 1 26 TYR H 3.020 . 3.020 2.317 2.241 2.375 . 0 0 "[ . 1]" 1
58 1 25 ILE HB 1 26 TYR H 4.160 . 4.160 3.876 2.992 4.240 0.080 7 0 "[ . 1]" 1
59 1 25 ILE HB 1 42 ASN HD22 4.930 . 4.930 3.466 2.114 5.071 0.141 7 0 "[ . 1]" 1
60 1 26 TYR H 1 26 TYR HB2 3.760 . 3.760 2.944 2.568 3.756 . 0 0 "[ . 1]" 1
61 1 26 TYR H 1 26 TYR HB3 3.910 . 3.910 2.737 2.631 3.184 . 0 0 "[ . 1]" 1
62 1 26 TYR H 1 26 TYR QD 5.170 . 5.170 3.959 2.352 4.361 . 0 0 "[ . 1]" 1
63 1 26 TYR HA 1 26 TYR QD 4.550 . 4.550 3.109 2.942 3.754 . 0 0 "[ . 1]" 1
64 1 26 TYR HA 1 27 ALA H 3.000 . 3.000 2.032 1.995 2.101 . 0 0 "[ . 1]" 1
65 1 26 TYR HB2 1 27 ALA H 3.980 . 3.980 4.261 3.830 4.380 0.400 3 0 "[ . 1]" 1
66 1 26 TYR HB3 1 27 ALA H 4.580 . 4.580 4.343 4.322 4.369 . 0 0 "[ . 1]" 1
67 1 26 TYR QD 1 27 ALA H 4.530 . 4.530 4.271 4.140 4.755 0.225 5 0 "[ . 1]" 1
68 1 27 ALA H 1 42 ASN HA 4.740 . 4.740 3.808 3.374 4.165 . 0 0 "[ . 1]" 1
69 1 27 ALA H 1 42 ASN HD21 4.790 . 4.790 2.658 1.715 3.897 . 0 0 "[ . 1]" 1
70 1 27 ALA H 1 42 ASN HD22 5.300 . 5.300 2.962 2.586 3.343 . 0 0 "[ . 1]" 1
71 1 29 ILE H 1 29 ILE HB 3.970 . 3.970 2.883 2.609 3.119 . 0 0 "[ . 1]" 1
72 1 29 ILE H 1 30 CYS H 4.580 . 4.580 4.466 4.399 4.523 . 0 0 "[ . 1]" 1
73 1 29 ILE H 1 39 THR HA 4.490 . 4.490 4.173 4.008 4.438 . 0 0 "[ . 1]" 1
74 1 29 ILE H 1 40 PHE H 3.860 . 3.860 3.035 2.727 3.393 . 0 0 "[ . 1]" 1
75 1 29 ILE H 1 42 ASN HA 4.440 . 4.440 4.678 4.578 4.836 0.396 7 0 "[ . 1]" 1
76 1 29 ILE HA 1 30 CYS H 3.120 . 3.120 2.194 2.173 2.221 . 0 0 "[ . 1]" 1
77 1 29 ILE HA 1 64 GLY H 3.210 . 3.210 2.317 1.942 2.901 . 0 0 "[ . 1]" 1
78 1 29 ILE MG 1 30 CYS H 4.380 . 4.380 2.889 2.343 3.926 . 0 0 "[ . 1]" 1
79 1 29 ILE MG 1 31 ALA H 5.300 . 5.300 4.777 4.477 5.109 . 0 0 "[ . 1]" 1
80 1 30 CYS H 1 30 CYS HB3 3.070 . 3.070 2.975 2.486 3.113 0.043 4 0 "[ . 1]" 1
81 1 30 CYS H 1 31 ALA H 4.590 . 4.590 4.515 4.481 4.534 . 0 0 "[ . 1]" 1
82 1 30 CYS H 1 62 LYS H 3.990 . 3.990 3.695 3.434 3.994 0.004 10 0 "[ . 1]" 1
83 1 30 CYS H 1 62 LYS HB3 4.300 . 4.300 4.522 4.494 4.574 0.274 7 0 "[ . 1]" 1
84 1 30 CYS H 1 63 VAL HA 4.030 . 4.030 2.723 2.334 3.150 . 0 0 "[ . 1]" 1
85 1 30 CYS H 1 63 VAL MG2 5.010 . 5.010 4.785 4.332 5.224 0.214 7 0 "[ . 1]" 1
86 1 30 CYS H 1 64 GLY H 3.900 . 3.900 2.420 2.071 2.767 . 0 0 "[ . 1]" 1
87 1 30 CYS HA 1 31 ALA H 3.010 . 3.010 2.193 2.168 2.216 . 0 0 "[ . 1]" 1
88 1 30 CYS HA 1 38 ARG H 4.550 . 4.550 4.681 4.651 4.758 0.208 7 0 "[ . 1]" 1
89 1 30 CYS HA 1 39 THR HA 3.390 . 3.390 2.779 2.603 2.929 . 0 0 "[ . 1]" 1
90 1 30 CYS HA 1 40 PHE H 4.080 . 4.080 4.051 3.910 4.138 0.058 6 0 "[ . 1]" 1
91 1 30 CYS HA 1 66 CYS H 4.550 . 4.550 4.542 4.354 4.728 0.178 9 0 "[ . 1]" 1
92 1 30 CYS HB3 1 31 ALA H 4.020 . 4.020 3.648 3.463 4.031 0.011 9 0 "[ . 1]" 1
93 1 30 CYS HB3 1 62 LYS H 3.540 . 3.540 3.554 3.468 3.624 0.084 2 0 "[ . 1]" 1
94 1 30 CYS HB3 1 66 CYS H 3.810 . 3.810 3.808 3.506 3.906 0.096 10 0 "[ . 1]" 1
95 1 31 ALA H 1 32 THR H 4.110 . 4.110 4.267 4.219 4.359 0.249 10 0 "[ . 1]" 1
96 1 31 ALA H 1 37 GLN HA 4.680 . 4.680 4.698 4.335 4.781 0.101 2 0 "[ . 1]" 1
97 1 31 ALA H 1 38 ARG H 3.490 . 3.490 3.227 3.152 3.272 . 0 0 "[ . 1]" 1
98 1 31 ALA H 1 39 THR HA 4.050 . 4.050 4.022 3.877 4.093 0.043 10 0 "[ . 1]" 1
99 1 31 ALA H 1 40 PHE QD 4.730 . 4.730 4.402 4.148 4.734 0.004 6 0 "[ . 1]" 1
100 1 31 ALA H 1 40 PHE QE 6.220 . 6.220 4.372 4.059 5.009 . 0 0 "[ . 1]" 1
101 1 31 ALA H 1 61 VAL H 4.650 . 4.650 4.709 4.672 4.759 0.109 3 0 "[ . 1]" 1
102 1 31 ALA HA 1 32 THR H 3.150 . 3.150 2.214 2.187 2.274 . 0 0 "[ . 1]" 1
103 1 31 ALA HA 1 32 THR MG 5.350 . 5.350 3.828 3.670 4.077 . 0 0 "[ . 1]" 1
104 1 31 ALA HA 1 59 LYS H 4.580 . 4.580 4.459 4.336 4.594 0.014 10 0 "[ . 1]" 1
105 1 31 ALA HA 1 61 VAL H 3.440 . 3.440 2.320 2.236 2.424 . 0 0 "[ . 1]" 1
106 1 31 ALA HA 1 61 VAL MG2 4.020 . 4.020 2.111 2.007 2.324 . 0 0 "[ . 1]" 1
107 1 31 ALA HA 1 62 LYS H 4.070 . 4.070 4.126 3.954 4.258 0.188 9 0 "[ . 1]" 1
108 1 31 ALA MB 1 32 THR H 3.980 . 3.980 2.937 2.792 3.094 . 0 0 "[ . 1]" 1
109 1 31 ALA MB 1 40 PHE QD 4.260 . 4.260 3.569 3.322 3.936 . 0 0 "[ . 1]" 1
110 1 31 ALA MB 1 40 PHE QE 4.570 . 4.570 2.662 2.251 3.369 . 0 0 "[ . 1]" 1
111 1 31 ALA MB 1 46 LEU MD1 4.880 . 4.880 2.231 1.912 3.234 . 0 0 "[ . 1]" 1
112 1 31 ALA MB 1 46 LEU MD2 4.740 . 4.740 3.127 2.131 3.632 . 0 0 "[ . 1]" 1
113 1 31 ALA MB 1 58 TYR QD 4.470 . 4.470 2.776 2.295 3.100 . 0 0 "[ . 1]" 1
114 1 31 ALA MB 1 61 VAL H 4.830 . 4.830 3.406 3.153 3.572 . 0 0 "[ . 1]" 1
115 1 32 THR H 1 32 THR HB 3.850 . 3.850 3.214 3.121 3.268 . 0 0 "[ . 1]" 1
116 1 32 THR H 1 32 THR MG 3.710 . 3.710 2.258 2.153 2.434 . 0 0 "[ . 1]" 1
117 1 32 THR H 1 33 ASP H 4.700 . 4.700 4.357 4.302 4.419 . 0 0 "[ . 1]" 1
118 1 32 THR H 1 34 GLY H 5.020 . 5.020 5.156 5.101 5.272 0.252 7 0 "[ . 1]" 1
119 1 32 THR H 1 58 TYR HB3 4.650 . 4.650 4.739 4.695 4.773 0.123 4 0 "[ . 1]" 1
120 1 32 THR H 1 58 TYR QD 4.810 . 4.810 4.418 4.224 4.535 . 0 0 "[ . 1]" 1
121 1 32 THR H 1 59 LYS H 3.310 . 3.310 3.392 3.334 3.432 0.122 2 0 "[ . 1]" 1
122 1 32 THR H 1 61 VAL H 4.430 . 4.430 3.705 3.448 4.013 . 0 0 "[ . 1]" 1
123 1 32 THR H 1 61 VAL MG2 4.240 . 4.240 2.217 1.962 2.730 . 0 0 "[ . 1]" 1
124 1 32 THR HA 1 33 ASP H 3.090 . 3.090 2.121 2.108 2.142 . 0 0 "[ . 1]" 1
125 1 32 THR HA 1 34 GLY H 3.970 . 3.970 3.829 3.739 3.928 . 0 0 "[ . 1]" 1
126 1 32 THR HA 1 37 GLN HA 3.130 . 3.130 2.822 2.734 2.962 . 0 0 "[ . 1]" 1
127 1 32 THR HA 1 37 GLN HB2 5.150 . 5.150 4.007 3.595 5.274 0.124 7 0 "[ . 1]" 1
128 1 32 THR HA 1 37 GLN HB3 4.790 . 4.790 2.728 2.230 4.534 . 0 0 "[ . 1]" 1
129 1 32 THR HA 1 37 GLN HE21 4.080 . 4.080 3.440 2.773 4.087 0.007 8 0 "[ . 1]" 1
130 1 32 THR HA 1 37 GLN HG2 4.950 . 4.950 4.909 4.170 5.119 0.169 3 0 "[ . 1]" 1
131 1 32 THR HA 1 37 GLN HG3 4.880 . 4.880 4.419 2.470 4.973 0.093 8 0 "[ . 1]" 1
132 1 32 THR HA 1 38 ARG H 3.890 . 3.890 3.923 3.893 3.983 0.093 1 0 "[ . 1]" 1
133 1 32 THR HA 1 58 TYR HB3 5.590 . 5.590 5.098 4.776 5.506 . 0 0 "[ . 1]" 1
134 1 32 THR HA 1 58 TYR QD 3.920 . 3.920 3.368 3.133 3.692 . 0 0 "[ . 1]" 1
135 1 32 THR HA 1 58 TYR QE 4.210 . 4.210 4.210 4.081 4.265 0.055 4 0 "[ . 1]" 1
136 1 32 THR HA 1 61 VAL MG2 5.620 . 5.620 4.156 3.953 4.470 . 0 0 "[ . 1]" 1
137 1 32 THR HB 1 33 ASP H 4.050 . 4.050 4.065 3.962 4.153 0.103 7 0 "[ . 1]" 1
138 1 32 THR HB 1 37 GLN HA 3.830 . 3.830 3.939 3.920 3.967 0.137 4 0 "[ . 1]" 1
139 1 32 THR HB 1 61 VAL MG2 3.630 . 3.630 3.062 2.791 3.295 . 0 0 "[ . 1]" 1
140 1 32 THR MG 1 33 ASP H 4.490 . 4.490 3.939 3.792 4.050 . 0 0 "[ . 1]" 1
141 1 32 THR MG 1 34 GLY H 3.920 . 3.920 2.977 2.721 3.174 . 0 0 "[ . 1]" 1
142 1 32 THR MG 1 35 VAL H 5.320 . 5.320 5.367 5.330 5.402 0.082 7 0 "[ . 1]" 1
143 1 32 THR MG 1 37 GLN HA 5.560 . 5.560 5.185 5.142 5.207 . 0 0 "[ . 1]" 1
144 1 32 THR MG 1 59 LYS H 4.670 . 4.670 4.549 4.374 4.681 0.011 2 0 "[ . 1]" 1
145 1 33 ASP H 1 33 ASP HB3 4.190 . 4.190 3.009 2.799 3.756 . 0 0 "[ . 1]" 1
146 1 33 ASP H 1 34 GLY H 3.210 . 3.210 2.725 2.583 2.893 . 0 0 "[ . 1]" 1
147 1 33 ASP H 1 35 VAL H 3.990 . 3.990 3.267 3.079 3.483 . 0 0 "[ . 1]" 1
148 1 33 ASP H 1 37 GLN HA 4.160 . 4.160 3.895 3.710 4.227 0.067 10 0 "[ . 1]" 1
149 1 33 ASP H 1 38 ARG H 5.020 . 5.020 5.326 5.258 5.371 0.351 2 0 "[ . 1]" 1
150 1 33 ASP H 1 58 TYR QD 4.800 . 4.800 3.766 3.478 4.237 . 0 0 "[ . 1]" 1
151 1 33 ASP H 1 58 TYR QE 4.710 . 4.710 4.284 4.065 4.508 . 0 0 "[ . 1]" 1
152 1 33 ASP HA 1 34 GLY H 3.880 . 3.880 2.903 2.780 3.036 . 0 0 "[ . 1]" 1
153 1 33 ASP HA 1 35 VAL H 4.780 . 4.780 4.311 4.261 4.408 . 0 0 "[ . 1]" 1
154 1 33 ASP HB3 1 34 GLY H 4.840 . 4.840 4.301 4.086 4.650 . 0 0 "[ . 1]" 1
155 1 33 ASP HB3 1 35 VAL H 4.740 . 4.740 3.712 3.191 4.986 0.246 1 0 "[ . 1]" 1
156 1 33 ASP HB3 1 59 LYS H 5.120 . 5.120 4.684 3.123 5.141 0.021 8 0 "[ . 1]" 1
157 1 34 GLY H 1 35 VAL H 3.320 . 3.320 2.925 2.729 3.128 . 0 0 "[ . 1]" 1
158 1 34 GLY H 1 35 VAL MG1 5.750 . 5.750 4.931 3.933 5.385 . 0 0 "[ . 1]" 1
159 1 34 GLY H 1 35 VAL MG2 5.570 . 5.570 4.469 3.831 5.658 0.088 9 0 "[ . 1]" 1
160 1 34 GLY HA2 1 35 VAL H 3.900 . 3.900 3.453 3.408 3.486 . 0 0 "[ . 1]" 1
161 1 34 GLY HA3 1 35 VAL H 3.940 . 3.940 2.781 2.658 2.867 . 0 0 "[ . 1]" 1
162 1 35 VAL H 1 35 VAL HB 3.240 . 3.240 3.417 3.106 3.600 0.360 10 0 "[ . 1]" 1
163 1 35 VAL H 1 35 VAL MG1 4.070 . 4.070 2.545 1.773 2.986 . 0 0 "[ . 1]" 1
164 1 35 VAL H 1 35 VAL MG2 4.690 . 4.690 2.420 1.853 3.692 . 0 0 "[ . 1]" 1
165 1 35 VAL HA 1 36 SER H 4.010 . 4.010 2.561 2.526 2.591 . 0 0 "[ . 1]" 1
166 1 35 VAL HB 1 36 SER H 3.200 . 3.200 2.674 2.257 3.508 0.308 6 0 "[ . 1]" 1
167 1 35 VAL MG1 1 36 SER H 4.730 . 4.730 3.506 3.265 3.947 . 0 0 "[ . 1]" 1
168 1 35 VAL MG2 1 36 SER H 4.620 . 4.620 3.126 1.792 3.771 . 0 0 "[ . 1]" 1
169 1 35 VAL MG2 1 37 GLN HE21 5.480 . 5.480 4.703 4.457 4.922 . 0 0 "[ . 1]" 1
170 1 35 VAL MG2 1 37 GLN HE22 5.250 . 5.250 5.418 5.363 5.454 0.204 3 0 "[ . 1]" 1
171 1 36 SER H 1 37 GLN H 4.580 . 4.580 4.563 4.526 4.638 0.058 10 0 "[ . 1]" 1
172 1 36 SER HA 1 37 GLN H 2.910 . 2.910 2.147 2.099 2.270 . 0 0 "[ . 1]" 1
173 1 37 GLN H 1 37 GLN HB2 3.430 . 3.430 3.236 2.260 3.502 0.072 5 0 "[ . 1]" 1
174 1 37 GLN H 1 37 GLN HB3 3.680 . 3.680 3.202 3.062 3.548 . 0 0 "[ . 1]" 1
175 1 37 GLN H 1 37 GLN HE21 4.940 . 4.940 1.950 1.665 2.898 0.135 8 0 "[ . 1]" 1
176 1 37 GLN H 1 37 GLN HG2 4.130 . 4.130 2.310 1.670 4.073 . 0 0 "[ . 1]" 1
177 1 37 GLN H 1 37 GLN HG3 4.430 . 4.430 3.425 3.289 3.730 . 0 0 "[ . 1]" 1
178 1 37 GLN H 1 38 ARG H 4.530 . 4.530 4.544 4.535 4.575 0.045 7 0 "[ . 1]" 1
179 1 37 GLN HA 1 37 GLN HE21 4.020 . 4.020 2.869 2.566 3.325 . 0 0 "[ . 1]" 1
180 1 37 GLN HA 1 37 GLN HG2 3.920 . 3.920 3.605 3.550 3.642 . 0 0 "[ . 1]" 1
181 1 37 GLN HA 1 37 GLN HG3 4.240 . 4.240 3.836 2.312 4.229 . 0 0 "[ . 1]" 1
182 1 37 GLN HA 1 38 ARG H 2.860 . 2.860 2.259 2.100 2.312 . 0 0 "[ . 1]" 1
183 1 37 GLN HA 1 58 TYR QD 5.240 . 5.240 3.994 3.507 4.691 . 0 0 "[ . 1]" 1
184 1 37 GLN HA 1 58 TYR QE 4.700 . 4.700 3.217 2.843 3.936 . 0 0 "[ . 1]" 1
185 1 37 GLN HA 1 61 VAL MG2 5.710 . 5.710 5.571 4.953 5.816 0.106 5 0 "[ . 1]" 1
186 1 37 GLN HB2 1 37 GLN HE22 4.670 . 4.670 4.725 4.202 4.931 0.261 8 0 "[ . 1]" 1
187 1 37 GLN HB2 1 38 ARG H 3.960 . 3.960 2.726 2.359 4.048 0.088 10 0 "[ . 1]" 1
188 1 37 GLN HB3 1 38 ARG H 3.780 . 3.780 3.126 2.851 3.275 . 0 0 "[ . 1]" 1
189 1 37 GLN HG3 1 38 ARG H 4.360 . 4.360 4.413 3.619 4.608 0.248 8 0 "[ . 1]" 1
190 1 38 ARG H 1 38 ARG HB2 3.750 . 3.750 2.689 2.454 2.836 . 0 0 "[ . 1]" 1
191 1 38 ARG H 1 38 ARG HB3 3.850 . 3.850 3.061 2.672 3.476 . 0 0 "[ . 1]" 1
192 1 38 ARG H 1 38 ARG HG2 4.430 . 4.430 4.629 4.575 4.728 0.298 6 0 "[ . 1]" 1
193 1 38 ARG H 1 38 ARG HG3 4.570 . 4.570 4.394 3.954 4.609 0.039 3 0 "[ . 1]" 1
194 1 38 ARG H 1 39 THR H 4.910 . 4.910 4.457 4.426 4.496 . 0 0 "[ . 1]" 1
195 1 38 ARG H 1 58 TYR QD 4.740 . 4.740 3.566 3.346 3.979 . 0 0 "[ . 1]" 1
196 1 38 ARG HA 1 39 THR H 2.890 . 2.890 2.284 2.260 2.307 . 0 0 "[ . 1]" 1
197 1 38 ARG HB2 1 39 THR H 4.000 . 4.000 4.086 4.053 4.106 0.106 8 0 "[ . 1]" 1
198 1 38 ARG HB2 1 40 PHE QE 4.770 . 4.770 4.273 3.028 4.791 0.021 4 0 "[ . 1]" 1
199 1 38 ARG HB2 1 58 TYR QE 4.830 . 4.830 2.599 2.383 2.906 . 0 0 "[ . 1]" 1
200 1 38 ARG HB3 1 39 THR H 4.220 . 4.220 3.291 2.842 3.675 . 0 0 "[ . 1]" 1
201 1 38 ARG HB3 1 40 PHE QE 4.600 . 4.600 3.114 2.583 3.838 . 0 0 "[ . 1]" 1
202 1 38 ARG HB3 1 58 TYR QE 5.090 . 5.090 3.529 2.918 4.434 . 0 0 "[ . 1]" 1
203 1 38 ARG HG2 1 39 THR H 4.180 . 4.180 2.482 2.122 3.545 . 0 0 "[ . 1]" 1
204 1 38 ARG HG3 1 39 THR H 4.010 . 4.010 3.387 1.951 4.110 0.100 5 0 "[ . 1]" 1
205 1 39 THR H 1 39 THR HB 3.140 . 3.140 3.062 2.985 3.127 . 0 0 "[ . 1]" 1
206 1 39 THR H 1 40 PHE H 4.630 . 4.630 4.341 4.264 4.401 . 0 0 "[ . 1]" 1
207 1 39 THR HA 1 40 PHE H 2.970 . 2.970 2.136 2.129 2.148 . 0 0 "[ . 1]" 1
208 1 39 THR HB 1 40 PHE H 4.290 . 4.290 3.877 3.779 3.973 . 0 0 "[ . 1]" 1
209 1 39 THR MG 1 40 PHE H 4.030 . 4.030 2.846 2.642 2.988 . 0 0 "[ . 1]" 1
210 1 39 THR MG 1 66 CYS H 4.120 . 4.120 3.907 3.721 4.102 . 0 0 "[ . 1]" 1
211 1 40 PHE H 1 40 PHE HB2 3.960 . 3.960 2.491 2.422 2.587 . 0 0 "[ . 1]" 1
212 1 40 PHE H 1 40 PHE HB3 3.590 . 3.590 3.660 3.638 3.681 0.091 7 0 "[ . 1]" 1
213 1 40 PHE H 1 40 PHE QD 3.960 . 3.960 2.256 2.143 2.405 . 0 0 "[ . 1]" 1
214 1 40 PHE H 1 41 SER H 4.780 . 4.780 4.566 4.542 4.588 . 0 0 "[ . 1]" 1
215 1 40 PHE HA 1 41 SER H 3.070 . 3.070 2.430 2.382 2.502 . 0 0 "[ . 1]" 1
216 1 40 PHE HA 1 42 ASN H 4.160 . 4.160 4.170 4.083 4.217 0.057 6 0 "[ . 1]" 1
217 1 40 PHE HB2 1 41 SER H 3.700 . 3.700 3.627 3.568 3.712 0.012 5 0 "[ . 1]" 1
218 1 40 PHE HB2 1 42 ASN H 3.100 . 3.100 3.218 3.177 3.267 0.167 9 0 "[ . 1]" 1
219 1 40 PHE HB2 1 46 LEU HB3 4.540 . 4.540 4.482 4.237 4.587 0.047 8 0 "[ . 1]" 1
220 1 40 PHE HB2 1 46 LEU MD2 5.950 . 5.950 5.146 4.404 5.481 . 0 0 "[ . 1]" 1
221 1 40 PHE HB3 1 41 SER H 4.260 . 4.260 2.426 2.260 2.570 . 0 0 "[ . 1]" 1
222 1 40 PHE HB3 1 42 ASN H 3.960 . 3.960 2.577 2.462 2.736 . 0 0 "[ . 1]" 1
223 1 40 PHE HB3 1 46 LEU H 4.480 . 4.480 3.894 3.787 4.071 . 0 0 "[ . 1]" 1
224 1 40 PHE QD 1 41 SER H 4.840 . 4.840 3.873 3.647 4.016 . 0 0 "[ . 1]" 1
225 1 40 PHE QD 1 42 ASN H 4.750 . 4.750 4.419 4.271 4.615 . 0 0 "[ . 1]" 1
226 1 40 PHE QD 1 46 LEU H 4.820 . 4.820 3.694 3.386 3.977 . 0 0 "[ . 1]" 1
227 1 40 PHE QD 1 46 LEU HA 4.470 . 4.470 2.948 2.699 3.163 . 0 0 "[ . 1]" 1
228 1 40 PHE QD 1 46 LEU HB3 5.090 . 5.090 4.537 4.376 4.662 . 0 0 "[ . 1]" 1
229 1 40 PHE QD 1 46 LEU MD2 5.050 . 5.050 4.497 3.245 4.883 . 0 0 "[ . 1]" 1
230 1 40 PHE QE 1 46 LEU HA 4.780 . 4.780 2.583 2.461 2.806 . 0 0 "[ . 1]" 1
231 1 40 PHE QE 1 46 LEU MD2 5.220 . 5.220 4.122 2.441 4.661 . 0 0 "[ . 1]" 1
232 1 40 PHE QE 1 49 TYR H 4.710 . 4.710 4.304 4.036 4.530 . 0 0 "[ . 1]" 1
233 1 40 PHE QE 1 49 TYR HB2 4.740 . 4.740 2.474 2.326 2.646 . 0 0 "[ . 1]" 1
234 1 40 PHE QE 1 49 TYR HB3 4.430 . 4.430 3.292 3.151 3.424 . 0 0 "[ . 1]" 1
235 1 40 PHE QE 1 49 TYR QD 4.970 . 4.970 3.002 2.814 3.463 . 0 0 "[ . 1]" 1
236 1 40 PHE QE 1 50 ASN H 5.320 . 5.320 5.441 5.363 5.511 0.191 3 0 "[ . 1]" 1
237 1 40 PHE QE 1 58 TYR HB3 5.010 . 5.010 3.427 2.945 3.962 . 0 0 "[ . 1]" 1
238 1 40 PHE QE 1 58 TYR QE 5.370 . 5.370 4.132 3.499 4.544 . 0 0 "[ . 1]" 1
239 1 40 PHE HZ 1 46 LEU MD2 5.180 . 5.180 4.602 2.701 5.217 0.037 1 0 "[ . 1]" 1
240 1 40 PHE HZ 1 49 TYR QD 4.970 . 4.970 3.855 3.483 4.255 . 0 0 "[ . 1]" 1
241 1 40 PHE HZ 1 49 TYR QE 5.460 . 5.460 4.847 4.395 5.474 0.014 7 0 "[ . 1]" 1
242 1 40 PHE HZ 1 58 TYR QE 5.660 . 5.660 3.694 3.188 4.173 . 0 0 "[ . 1]" 1
243 1 41 SER H 1 41 SER HB3 3.620 . 3.620 2.741 2.621 3.552 . 0 0 "[ . 1]" 1
244 1 41 SER H 1 42 ASN H 3.410 . 3.410 2.492 2.421 2.554 . 0 0 "[ . 1]" 1
245 1 41 SER HA 1 42 ASN H 3.750 . 3.750 3.463 3.441 3.492 . 0 0 "[ . 1]" 1
246 1 41 SER HA 1 42 ASN HD21 5.110 . 5.110 4.943 4.611 5.164 0.054 6 0 "[ . 1]" 1
247 1 41 SER HB3 1 42 ASN H 3.730 . 3.730 3.173 2.950 3.782 0.052 7 0 "[ . 1]" 1
248 1 42 ASN H 1 42 ASN HB2 4.090 . 4.090 3.174 3.018 3.287 . 0 0 "[ . 1]" 1
249 1 42 ASN H 1 42 ASN HD21 4.770 . 4.770 4.527 4.206 4.681 . 0 0 "[ . 1]" 1
250 1 42 ASN H 1 46 LEU H 4.630 . 4.630 4.608 4.493 4.683 0.053 2 0 "[ . 1]" 1
251 1 42 ASN HA 1 42 ASN HD21 4.650 . 4.650 3.053 2.677 3.717 . 0 0 "[ . 1]" 1
252 1 42 ASN HA 1 42 ASN HD22 4.970 . 4.970 3.772 3.616 4.103 . 0 0 "[ . 1]" 1
253 1 42 ASN HB2 1 42 ASN HD22 4.030 . 4.030 3.485 3.412 3.541 . 0 0 "[ . 1]" 1
254 1 44 CYS HB3 1 45 ASP H 3.240 . 3.240 2.626 2.390 2.912 . 0 0 "[ . 1]" 1
255 1 45 ASP H 1 45 ASP HA 3.050 . 3.050 2.848 2.844 2.853 . 0 0 "[ . 1]" 1
256 1 45 ASP H 1 46 LEU H 3.450 . 3.450 2.588 2.513 2.634 . 0 0 "[ . 1]" 1
257 1 45 ASP HA 1 46 LEU H 4.120 . 4.120 3.485 3.444 3.528 . 0 0 "[ . 1]" 1
258 1 46 LEU H 1 46 LEU HB3 4.240 . 4.240 2.315 2.219 2.386 . 0 0 "[ . 1]" 1
259 1 46 LEU H 1 46 LEU MD1 4.690 . 4.690 4.176 3.983 4.262 . 0 0 "[ . 1]" 1
260 1 46 LEU H 1 46 LEU MD2 4.950 . 4.950 4.041 3.925 4.208 . 0 0 "[ . 1]" 1
261 1 46 LEU H 1 46 LEU HG 4.050 . 4.050 4.378 4.344 4.423 0.373 9 0 "[ . 1]" 1
262 1 46 LEU H 1 47 LYS H 3.330 . 3.330 2.656 2.570 2.748 . 0 0 "[ . 1]" 1
263 1 46 LEU H 1 48 VAL H 4.490 . 4.490 3.983 3.838 4.118 . 0 0 "[ . 1]" 1
264 1 46 LEU HA 1 46 LEU MD1 4.360 . 4.360 3.407 3.212 3.518 . 0 0 "[ . 1]" 1
265 1 46 LEU HA 1 46 LEU MD2 4.030 . 4.030 3.306 2.278 3.663 . 0 0 "[ . 1]" 1
266 1 46 LEU HA 1 46 LEU HG 3.980 . 3.980 2.754 2.463 3.775 . 0 0 "[ . 1]" 1
267 1 46 LEU HA 1 47 LYS H 4.210 . 4.210 3.571 3.555 3.606 . 0 0 "[ . 1]" 1
268 1 46 LEU HB2 1 47 LYS H 3.500 . 3.500 3.678 3.624 3.740 0.240 8 0 "[ . 1]" 1
269 1 46 LEU HB3 1 47 LYS H 4.500 . 4.500 2.229 2.161 2.304 . 0 0 "[ . 1]" 1
270 1 46 LEU MD1 1 47 LYS H 5.120 . 5.120 4.071 2.498 4.551 . 0 0 "[ . 1]" 1
271 1 46 LEU MD1 1 47 LYS HA 5.010 . 5.010 4.599 2.329 5.216 0.206 5 0 "[ . 1]" 1
272 1 46 LEU MD1 1 50 ASN HD21 5.550 . 5.550 4.740 3.019 5.579 0.029 8 0 "[ . 1]" 1
273 1 46 LEU MD1 1 50 ASN HD22 4.700 . 4.700 3.612 1.743 4.694 . 0 0 "[ . 1]" 1
274 1 46 LEU MD1 1 60 GLU H 4.570 . 4.570 4.147 3.339 4.581 0.011 3 0 "[ . 1]" 1
275 1 46 LEU MD1 1 61 VAL H 5.700 . 5.700 4.931 4.045 5.717 0.017 2 0 "[ . 1]" 1
276 1 46 LEU MD2 1 47 LYS H 5.390 . 5.390 2.892 2.546 4.013 . 0 0 "[ . 1]" 1
277 1 46 LEU MD2 1 47 LYS HG3 5.650 . 5.650 3.638 2.218 5.145 . 0 0 "[ . 1]" 1
278 1 46 LEU MD2 1 48 VAL MG1 5.430 . 5.430 5.529 5.485 5.572 0.142 1 0 "[ . 1]" 1
279 1 46 LEU MD2 1 49 TYR HB2 5.420 . 5.420 5.035 3.887 5.443 0.023 5 0 "[ . 1]" 1
280 1 46 LEU MD2 1 50 ASN H 5.150 . 5.150 4.389 3.657 4.705 . 0 0 "[ . 1]" 1
281 1 46 LEU MD2 1 50 ASN HD21 4.820 . 4.820 3.580 2.160 4.429 . 0 0 "[ . 1]" 1
282 1 46 LEU MD2 1 50 ASN HD22 4.990 . 4.990 2.592 2.067 3.085 . 0 0 "[ . 1]" 1
283 1 46 LEU MD2 1 58 TYR H 4.810 . 4.810 4.668 3.773 4.951 0.141 7 0 "[ . 1]" 1
284 1 46 LEU MD2 1 59 LYS H 5.950 . 5.950 5.081 4.124 5.645 . 0 0 "[ . 1]" 1
285 1 46 LEU MD2 1 60 GLU H 5.860 . 5.860 3.903 3.110 4.428 . 0 0 "[ . 1]" 1
286 1 46 LEU HG 1 47 LYS H 3.830 . 3.830 4.038 3.892 4.251 0.421 2 0 "[ . 1]" 1
287 1 46 LEU HG 1 50 ASN HD21 4.520 . 4.520 4.106 3.259 4.782 0.262 9 0 "[ . 1]" 1
288 1 46 LEU HG 1 50 ASN HD22 4.340 . 4.340 2.929 2.155 3.967 . 0 0 "[ . 1]" 1
289 1 47 LYS H 1 47 LYS HB2 3.120 . 3.120 2.609 2.120 3.507 0.387 7 0 "[ . 1]" 1
290 1 47 LYS H 1 47 LYS HB3 3.270 . 3.270 3.299 2.178 3.531 0.261 6 0 "[ . 1]" 1
291 1 47 LYS H 1 47 LYS HD2 3.580 . 3.580 3.045 2.549 3.513 . 0 0 "[ . 1]" 1
292 1 47 LYS H 1 47 LYS HD3 3.970 . 3.970 3.755 2.315 4.092 0.122 2 0 "[ . 1]" 1
293 1 47 LYS H 1 47 LYS HE3 4.680 . 4.680 4.724 4.510 4.885 0.205 5 0 "[ . 1]" 1
294 1 47 LYS H 1 47 LYS HG3 4.080 . 4.080 2.907 1.744 4.172 0.092 8 0 "[ . 1]" 1
295 1 47 LYS H 1 48 VAL H 3.370 . 3.370 2.766 2.659 2.863 . 0 0 "[ . 1]" 1
296 1 47 LYS H 1 49 TYR H 4.500 . 4.500 4.201 4.076 4.299 . 0 0 "[ . 1]" 1
297 1 47 LYS HA 1 48 VAL H 4.240 . 4.240 3.481 3.441 3.504 . 0 0 "[ . 1]" 1
298 1 47 LYS HA 1 50 ASN H 4.110 . 4.110 3.593 3.293 3.909 . 0 0 "[ . 1]" 1
299 1 47 LYS HA 1 50 ASN HD21 4.280 . 4.280 4.044 3.501 4.358 0.078 3 0 "[ . 1]" 1
300 1 47 LYS HA 1 50 ASN HD22 4.680 . 4.680 3.143 2.085 4.187 . 0 0 "[ . 1]" 1
301 1 47 LYS HB2 1 48 VAL H 3.660 . 3.660 2.980 2.565 3.999 0.339 8 0 "[ . 1]" 1
302 1 47 LYS HB3 1 48 VAL H 3.700 . 3.700 3.629 3.283 4.054 0.354 7 0 "[ . 1]" 1
303 1 47 LYS HG3 1 48 VAL H 4.560 . 4.560 4.432 2.734 4.856 0.296 3 0 "[ . 1]" 1
304 1 48 VAL H 1 48 VAL HB 3.550 . 3.550 2.186 2.143 2.258 . 0 0 "[ . 1]" 1
305 1 48 VAL H 1 48 VAL MG1 3.570 . 3.570 2.624 2.450 2.795 . 0 0 "[ . 1]" 1
306 1 48 VAL H 1 48 VAL MG2 4.710 . 4.710 3.627 3.576 3.688 . 0 0 "[ . 1]" 1
307 1 48 VAL H 1 49 TYR H 3.370 . 3.370 2.594 2.477 2.740 . 0 0 "[ . 1]" 1
308 1 48 VAL HA 1 49 TYR H 4.030 . 4.030 3.494 3.472 3.511 . 0 0 "[ . 1]" 1
309 1 48 VAL HA 1 51 CYS H 3.790 . 3.790 3.605 3.482 3.801 0.011 2 0 "[ . 1]" 1
310 1 48 VAL HA 1 52 TRP H 4.370 . 4.370 4.441 4.416 4.476 0.106 2 0 "[ . 1]" 1
311 1 48 VAL HB 1 49 TYR H 3.300 . 3.300 3.649 3.568 3.691 0.391 1 0 "[ . 1]" 1
312 1 48 VAL HB 1 52 TRP HE1 4.870 . 4.870 4.911 4.884 4.939 0.069 8 0 "[ . 1]" 1
313 1 48 VAL MG1 1 49 TYR H 4.530 . 4.530 2.240 2.193 2.327 . 0 0 "[ . 1]" 1
314 1 48 VAL MG1 1 49 TYR QD 5.160 . 5.160 3.387 3.106 3.804 . 0 0 "[ . 1]" 1
315 1 48 VAL MG1 1 50 ASN H 5.570 . 5.570 4.416 4.231 4.647 . 0 0 "[ . 1]" 1
316 1 48 VAL MG1 1 51 CYS H 5.740 . 5.740 5.001 4.926 5.100 . 0 0 "[ . 1]" 1
317 1 48 VAL MG1 1 52 TRP HE1 5.870 . 5.870 2.511 2.121 3.030 . 0 0 "[ . 1]" 1
318 1 48 VAL MG2 1 49 TYR H 4.440 . 4.440 4.082 4.003 4.181 . 0 0 "[ . 1]" 1
319 1 48 VAL MG2 1 51 CYS H 5.620 . 5.620 4.888 4.767 5.119 . 0 0 "[ . 1]" 1
320 1 48 VAL MG2 1 52 TRP H 5.610 . 5.610 4.530 4.353 4.741 . 0 0 "[ . 1]" 1
321 1 48 VAL MG2 1 52 TRP HE1 3.770 . 3.770 2.583 2.088 2.997 . 0 0 "[ . 1]" 1
322 1 49 TYR H 1 49 TYR HB2 3.260 . 3.260 2.172 2.124 2.228 . 0 0 "[ . 1]" 1
323 1 49 TYR H 1 49 TYR HB3 3.200 . 3.200 2.970 2.845 3.082 . 0 0 "[ . 1]" 1
324 1 49 TYR H 1 50 ASN H 3.550 . 3.550 2.625 2.422 2.898 . 0 0 "[ . 1]" 1
325 1 49 TYR H 1 50 ASN HD21 5.220 . 5.220 4.085 3.153 4.777 . 0 0 "[ . 1]" 1
326 1 49 TYR H 1 50 ASN HD22 3.930 . 3.930 4.162 4.043 4.253 0.323 5 0 "[ . 1]" 1
327 1 49 TYR HA 1 50 ASN H 4.140 . 4.140 3.501 3.442 3.557 . 0 0 "[ . 1]" 1
328 1 49 TYR HB2 1 50 ASN H 3.480 . 3.480 3.529 3.519 3.564 0.084 6 0 "[ . 1]" 1
329 1 49 TYR HB3 1 50 ASN H 3.780 . 3.780 2.760 2.383 3.074 . 0 0 "[ . 1]" 1
330 1 49 TYR HB3 1 50 ASN HD22 3.550 . 3.550 3.364 2.910 3.679 0.129 10 0 "[ . 1]" 1
331 1 49 TYR QD 1 50 ASN HA 4.820 . 4.820 4.172 3.612 4.650 . 0 0 "[ . 1]" 1
332 1 49 TYR QD 1 58 TYR QD 5.270 . 5.270 2.608 2.386 2.966 . 0 0 "[ . 1]" 1
333 1 49 TYR QE 1 58 TYR QD 4.230 . 4.230 3.939 3.215 4.248 0.018 6 0 "[ . 1]" 1
334 1 49 TYR QE 1 58 TYR QE 4.970 . 4.970 2.667 2.370 3.106 . 0 0 "[ . 1]" 1
335 1 50 ASN H 1 50 ASN HB2 3.590 . 3.590 2.993 2.478 3.505 . 0 0 "[ . 1]" 1
336 1 50 ASN H 1 50 ASN HB3 3.390 . 3.390 3.395 3.051 3.577 0.187 7 0 "[ . 1]" 1
337 1 50 ASN H 1 51 CYS H 3.540 . 3.540 2.526 2.474 2.628 . 0 0 "[ . 1]" 1
338 1 50 ASN H 1 51 CYS HB3 4.760 . 4.760 4.856 4.816 4.882 0.122 2 0 "[ . 1]" 1
339 1 50 ASN H 1 52 TRP H 4.880 . 4.880 4.655 4.490 4.818 . 0 0 "[ . 1]" 1
340 1 50 ASN HA 1 51 CYS H 4.270 . 4.270 3.473 3.451 3.502 . 0 0 "[ . 1]" 1
341 1 50 ASN HA 1 53 ASN H 4.010 . 4.010 3.944 3.633 4.117 0.107 5 0 "[ . 1]" 1
342 1 50 ASN HB2 1 50 ASN HD22 3.920 . 3.920 3.970 3.776 4.048 0.128 10 0 "[ . 1]" 1
343 1 50 ASN HB2 1 51 CYS H 4.090 . 4.090 3.100 2.863 3.504 . 0 0 "[ . 1]" 1
344 1 50 ASN HB3 1 50 ASN HD22 4.050 . 4.050 3.755 3.458 4.081 0.031 6 0 "[ . 1]" 1
345 1 50 ASN HB3 1 51 CYS H 3.950 . 3.950 4.093 3.898 4.254 0.304 9 0 "[ . 1]" 1
346 1 50 ASN HD21 1 58 TYR H 4.150 . 4.150 2.751 2.040 4.059 . 0 0 "[ . 1]" 1
347 1 50 ASN HD22 1 58 TYR H 4.010 . 4.010 3.563 2.955 4.160 0.150 2 0 "[ . 1]" 1
348 1 51 CYS H 1 51 CYS HB2 3.150 . 3.150 2.420 2.347 2.498 . 0 0 "[ . 1]" 1
349 1 51 CYS H 1 51 CYS HB3 3.130 . 3.130 2.580 2.515 2.644 . 0 0 "[ . 1]" 1
350 1 51 CYS H 1 52 TRP H 3.490 . 3.490 2.831 2.687 3.021 . 0 0 "[ . 1]" 1
351 1 51 CYS H 1 52 TRP HD1 4.510 . 4.510 4.618 4.575 4.679 0.169 9 0 "[ . 1]" 1
352 1 51 CYS HA 1 52 TRP H 3.750 . 3.750 3.601 3.588 3.609 . 0 0 "[ . 1]" 1
353 1 51 CYS HA 1 53 ASN H 4.560 . 4.560 4.548 4.437 4.639 0.079 10 0 "[ . 1]" 1
354 1 51 CYS HB2 1 52 TRP H 3.550 . 3.550 3.718 3.694 3.735 0.185 5 0 "[ . 1]" 1
355 1 52 TRP H 1 52 TRP HB2 3.630 . 3.630 3.702 3.693 3.712 0.082 6 0 "[ . 1]" 1
356 1 52 TRP H 1 52 TRP HB3 3.170 . 3.170 2.869 2.802 2.962 . 0 0 "[ . 1]" 1
357 1 52 TRP H 1 52 TRP HD1 3.810 . 3.810 2.742 2.592 2.862 . 0 0 "[ . 1]" 1
358 1 52 TRP H 1 53 ASN H 3.480 . 3.480 2.416 2.269 2.495 . 0 0 "[ . 1]" 1
359 1 52 TRP H 1 53 ASN HD21 4.540 . 4.540 3.086 2.997 3.164 . 0 0 "[ . 1]" 1
360 1 52 TRP H 1 53 ASN HD22 4.740 . 4.740 4.461 4.300 4.580 . 0 0 "[ . 1]" 1
361 1 52 TRP HA 1 52 TRP HE3 4.100 . 4.100 4.225 4.176 4.306 0.206 1 0 "[ . 1]" 1
362 1 52 TRP HA 1 53 ASN H 4.090 . 4.090 3.315 3.301 3.335 . 0 0 "[ . 1]" 1
363 1 52 TRP HB2 1 53 ASN H 4.280 . 4.280 4.199 4.113 4.263 . 0 0 "[ . 1]" 1
364 1 52 TRP HB2 1 53 ASN HD21 4.530 . 4.530 4.243 4.157 4.331 . 0 0 "[ . 1]" 1
365 1 52 TRP HB2 1 53 ASN HD22 4.490 . 4.490 4.671 4.623 4.708 0.218 3 0 "[ . 1]" 1
366 1 52 TRP HB3 1 53 ASN H 4.050 . 4.050 4.342 4.306 4.378 0.328 6 0 "[ . 1]" 1
367 1 52 TRP HB3 1 53 ASN HD21 4.380 . 4.380 4.594 4.568 4.621 0.241 10 0 "[ . 1]" 1
368 1 52 TRP HD1 1 53 ASN HD21 4.520 . 4.520 4.252 4.183 4.330 . 0 0 "[ . 1]" 1
369 1 52 TRP HD1 1 53 ASN HD22 4.950 . 4.950 4.711 4.598 4.855 . 0 0 "[ . 1]" 1
370 1 52 TRP HE3 1 53 ASN H 4.010 . 4.010 4.263 4.211 4.317 0.307 10 0 "[ . 1]" 1
371 1 52 TRP HZ3 1 53 ASN HD21 4.400 . 4.400 4.512 4.476 4.550 0.150 7 0 "[ . 1]" 1
372 1 52 TRP HZ3 1 53 ASN HD22 4.950 . 4.950 3.294 3.171 3.385 . 0 0 "[ . 1]" 1
373 1 53 ASN H 1 53 ASN HB3 3.550 . 3.550 3.691 3.666 3.717 0.167 6 0 "[ . 1]" 1
374 1 53 ASN H 1 53 ASN HD21 3.930 . 3.930 2.017 1.973 2.061 . 0 0 "[ . 1]" 1
375 1 53 ASN H 1 53 ASN HD22 4.950 . 4.950 3.687 3.633 3.741 . 0 0 "[ . 1]" 1
376 1 53 ASN H 1 54 PRO HD2 4.320 . 4.320 4.462 4.433 4.482 0.162 2 0 "[ . 1]" 1
377 1 53 ASN H 1 54 PRO HD3 4.020 . 4.020 4.017 3.932 4.067 0.047 10 0 "[ . 1]" 1
378 1 53 ASN HA 1 55 ASP H 4.120 . 4.120 3.755 3.723 3.793 . 0 0 "[ . 1]" 1
379 1 54 PRO HA 1 55 ASP H 4.210 . 4.210 3.545 3.535 3.551 . 0 0 "[ . 1]" 1
380 1 54 PRO HD2 1 55 ASP H 3.860 . 3.860 2.775 2.746 2.800 . 0 0 "[ . 1]" 1
381 1 54 PRO HD3 1 55 ASP H 4.300 . 4.300 3.887 3.872 3.903 . 0 0 "[ . 1]" 1
382 1 54 PRO HG2 1 55 ASP H 3.670 . 3.670 2.099 2.082 2.120 . 0 0 "[ . 1]" 1
383 1 54 PRO HG3 1 55 ASP H 3.520 . 3.520 3.700 3.687 3.718 0.198 1 0 "[ . 1]" 1
384 1 55 ASP H 1 55 ASP HB2 3.340 . 3.340 2.294 2.202 2.318 . 0 0 "[ . 1]" 1
385 1 55 ASP H 1 55 ASP HB3 3.600 . 3.600 3.442 2.917 3.579 . 0 0 "[ . 1]" 1
386 1 55 ASP H 1 56 ASN H 3.060 . 3.060 2.648 2.536 2.750 . 0 0 "[ . 1]" 1
387 1 55 ASP HA 1 56 ASN H 3.820 . 3.820 3.543 3.537 3.549 . 0 0 "[ . 1]" 1
388 1 55 ASP HB2 1 56 ASN H 3.970 . 3.970 3.176 3.003 3.773 . 0 0 "[ . 1]" 1
389 1 55 ASP HB3 1 56 ASN H 4.270 . 4.270 3.582 2.976 3.738 . 0 0 "[ . 1]" 1
390 1 56 ASN H 1 56 ASN HB2 4.010 . 4.010 2.697 2.512 2.828 . 0 0 "[ . 1]" 1
391 1 56 ASN H 1 56 ASN HB3 3.560 . 3.560 3.300 3.035 3.682 0.122 9 0 "[ . 1]" 1
392 1 56 ASN HA 1 56 ASN HD21 4.640 . 4.640 3.201 2.896 3.660 . 0 0 "[ . 1]" 1
393 1 56 ASN HA 1 56 ASN HD22 4.260 . 4.260 3.855 3.715 4.098 . 0 0 "[ . 1]" 1
394 1 56 ASN HB3 1 56 ASN HD22 3.910 . 3.910 3.704 3.486 4.028 0.118 3 0 "[ . 1]" 1
395 1 57 PRO HA 1 58 TYR H 3.180 . 3.180 2.358 2.240 2.477 . 0 0 "[ . 1]" 1
396 1 57 PRO HB2 1 58 TYR H 4.140 . 4.140 3.147 2.891 3.547 . 0 0 "[ . 1]" 1
397 1 57 PRO HB3 1 58 TYR H 3.960 . 3.960 3.287 3.129 3.599 . 0 0 "[ . 1]" 1
398 1 58 TYR H 1 58 TYR HB2 3.440 . 3.440 2.615 2.380 2.692 . 0 0 "[ . 1]" 1
399 1 58 TYR H 1 58 TYR HB3 3.730 . 3.730 3.748 3.618 3.787 0.057 5 0 "[ . 1]" 1
400 1 58 TYR H 1 58 TYR QD 4.350 . 4.350 3.223 2.865 3.317 . 0 0 "[ . 1]" 1
401 1 58 TYR H 1 59 LYS H 4.810 . 4.810 4.425 4.368 4.542 . 0 0 "[ . 1]" 1
402 1 58 TYR HB2 1 59 LYS H 4.180 . 4.180 4.111 4.037 4.185 0.005 7 0 "[ . 1]" 1
403 1 58 TYR HB3 1 59 LYS H 3.990 . 3.990 2.937 2.804 3.052 . 0 0 "[ . 1]" 1
404 1 58 TYR QD 1 59 LYS H 4.880 . 4.880 3.624 3.472 3.784 . 0 0 "[ . 1]" 1
405 1 59 LYS H 1 59 LYS HA 2.900 . 2.900 2.940 2.937 2.943 0.043 9 0 "[ . 1]" 1
406 1 59 LYS H 1 59 LYS HB3 3.630 . 3.630 3.684 3.617 3.710 0.080 2 0 "[ . 1]" 1
407 1 59 LYS H 1 60 GLU H 4.740 . 4.740 4.379 4.297 4.458 . 0 0 "[ . 1]" 1
408 1 59 LYS H 1 61 VAL MG2 5.630 . 5.630 4.927 4.382 5.588 . 0 0 "[ . 1]" 1
409 1 59 LYS HA 1 60 GLU H 2.770 . 2.770 2.164 2.129 2.208 . 0 0 "[ . 1]" 1
410 1 59 LYS HB3 1 60 GLU H 3.810 . 3.810 3.256 3.013 3.463 . 0 0 "[ . 1]" 1
411 1 60 GLU H 1 60 GLU HB3 3.240 . 3.240 2.893 2.179 3.293 0.053 2 0 "[ . 1]" 1
412 1 60 GLU H 1 60 GLU HG3 4.080 . 4.080 3.855 3.193 4.359 0.279 3 0 "[ . 1]" 1
413 1 60 GLU H 1 61 VAL H 4.410 . 4.410 4.442 4.415 4.476 0.066 6 0 "[ . 1]" 1
414 1 60 GLU H 1 61 VAL MG2 5.380 . 5.380 4.997 4.613 5.465 0.085 7 0 "[ . 1]" 1
415 1 60 GLU HA 1 61 VAL H 3.050 . 3.050 2.090 2.030 2.121 . 0 0 "[ . 1]" 1
416 1 60 GLU HA 1 61 VAL MG2 4.880 . 4.880 3.386 3.294 3.511 . 0 0 "[ . 1]" 1
417 1 60 GLU HG3 1 61 VAL H 4.300 . 4.300 3.988 3.339 4.460 0.160 5 0 "[ . 1]" 1
418 1 61 VAL H 1 61 VAL HB 3.550 . 3.550 3.134 2.661 3.565 0.015 7 0 "[ . 1]" 1
419 1 61 VAL H 1 61 VAL MG2 4.120 . 4.120 2.001 1.839 2.292 . 0 0 "[ . 1]" 1
420 1 61 VAL H 1 62 LYS H 3.020 . 3.020 2.365 2.255 2.484 . 0 0 "[ . 1]" 1
421 1 61 VAL HA 1 62 LYS H 3.810 . 3.810 3.566 3.550 3.595 . 0 0 "[ . 1]" 1
422 1 61 VAL HB 1 62 LYS H 3.210 . 3.210 2.760 2.448 3.234 0.024 7 0 "[ . 1]" 1
423 1 61 VAL MG2 1 62 LYS H 4.000 . 4.000 2.843 1.917 3.682 . 0 0 "[ . 1]" 1
424 1 62 LYS H 1 63 VAL H 4.480 . 4.480 4.399 4.369 4.421 . 0 0 "[ . 1]" 1
425 1 62 LYS HB3 1 63 VAL H 3.530 . 3.530 3.059 2.943 3.162 . 0 0 "[ . 1]" 1
426 1 63 VAL H 1 63 VAL MG2 3.610 . 3.610 2.713 1.943 3.831 0.221 6 0 "[ . 1]" 1
427 1 63 VAL HA 1 64 GLY H 3.020 . 3.020 2.119 2.088 2.156 . 0 0 "[ . 1]" 1
428 1 63 VAL MG2 1 64 GLY H 4.070 . 4.070 3.973 3.325 4.278 0.208 7 0 "[ . 1]" 1
429 1 64 GLY HA2 1 65 GLU H 3.100 . 3.100 2.765 2.757 2.776 . 0 0 "[ . 1]" 1
430 1 64 GLY HA3 1 65 GLU H 3.140 . 3.140 2.349 2.340 2.359 . 0 0 "[ . 1]" 1
431 1 65 GLU HA 1 66 CYS H 2.910 . 2.910 2.117 2.104 2.135 . 0 0 "[ . 1]" 1
432 1 65 GLU HB3 1 66 CYS H 3.720 . 3.720 3.832 3.745 3.940 0.220 5 0 "[ . 1]" 1
433 1 65 GLU HG3 1 66 CYS H 4.000 . 4.000 4.090 4.042 4.171 0.171 4 0 "[ . 1]" 1
434 1 66 CYS H 1 66 CYS HB2 3.570 . 3.570 3.710 3.620 3.757 0.187 6 0 "[ . 1]" 1
435 1 66 CYS H 1 66 CYS HB3 3.270 . 3.270 2.838 2.738 2.898 . 0 0 "[ . 1]" 1
436 1 66 CYS HA 1 67 ASP H 3.900 . 3.900 2.257 2.198 2.299 . 0 0 "[ . 1]" 1
437 1 66 CYS HB2 1 67 ASP H 4.660 . 4.660 2.689 2.557 2.790 . 0 0 "[ . 1]" 1
438 1 67 ASP H 1 67 ASP HB2 4.390 . 4.390 2.950 2.360 3.718 . 0 0 "[ . 1]" 1
439 1 69 ALA HA 1 70 ASN H 4.120 . 4.120 3.155 3.132 3.281 . 0 0 "[ . 1]" 1
440 1 69 ALA MB 1 70 ASN H 5.200 . 5.200 3.483 3.333 3.513 . 0 0 "[ . 1]" 1
441 1 70 ASN H 1 70 ASN HB3 4.070 . 4.070 3.234 2.838 3.608 . 0 0 "[ . 1]" 1
442 1 70 ASN H 1 71 LYS H 4.360 . 4.360 4.528 4.515 4.540 0.180 9 0 "[ . 1]" 1
443 1 70 ASN HA 1 71 LYS H 3.570 . 3.570 2.283 2.186 2.400 . 0 0 "[ . 1]" 1
444 1 70 ASN HB2 1 71 LYS H 4.840 . 4.840 4.016 3.828 4.210 . 0 0 "[ . 1]" 1
445 1 70 ASN HB3 1 71 LYS H 4.880 . 4.880 3.027 2.532 3.551 . 0 0 "[ . 1]" 1
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