NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
409207 |
1zac   |
4232 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1zac
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 1014
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 0.557
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0398
_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 ALA 0.000 0.000 . 0 "[ ]"
1 2 SER 0.000 0.000 . 0 "[ ]"
1 3 MET 0.018 0.018 1 0 "[ ]"
1 4 THR 0.018 0.018 1 0 "[ ]"
1 5 ASP 0.064 0.064 1 0 "[ ]"
1 6 GLN 0.000 0.000 . 0 "[ ]"
1 7 GLN 0.064 0.064 1 0 "[ ]"
1 8 ALA 0.000 0.000 . 0 "[ ]"
1 9 GLU 0.000 0.000 . 0 "[ ]"
1 10 ALA 0.000 0.000 . 0 "[ ]"
1 11 ARG 0.000 0.000 . 0 "[ ]"
1 12 ALA 0.000 0.000 . 0 "[ ]"
1 13 PHE 0.065 0.036 1 0 "[ ]"
1 14 LEU 0.000 0.000 . 0 "[ ]"
1 15 SER 0.000 0.000 . 0 "[ ]"
1 16 GLU 0.000 0.000 . 0 "[ ]"
1 17 GLU 0.000 0.000 . 0 "[ ]"
1 18 MET 0.000 0.000 . 0 "[ ]"
1 19 ILE 0.000 0.000 . 0 "[ ]"
1 20 ALA 0.000 0.000 . 0 "[ ]"
1 21 GLU 0.000 0.000 . 0 "[ ]"
1 22 PHE 0.054 0.036 1 0 "[ ]"
1 23 LYS 0.016 0.016 1 0 "[ ]"
1 24 ALA 0.000 0.000 . 0 "[ ]"
1 25 ALA 0.000 0.000 . 0 "[ ]"
1 26 PHE 0.016 0.016 1 0 "[ ]"
1 27 ASP 0.000 0.000 . 0 "[ ]"
1 28 MET 0.000 0.000 . 0 "[ ]"
1 29 PHE 0.100 0.100 1 0 "[ ]"
1 30 ASP 0.000 0.000 . 0 "[ ]"
1 31 ALA 0.158 0.100 1 0 "[ ]"
1 32 ASP 0.000 0.000 . 0 "[ ]"
1 33 GLY 0.000 0.000 . 0 "[ ]"
1 34 GLY 0.058 0.058 1 0 "[ ]"
1 35 GLY 0.000 0.000 . 0 "[ ]"
1 36 ASP 0.000 0.000 . 0 "[ ]"
1 37 ILE 0.000 0.000 . 0 "[ ]"
1 38 SER 0.085 0.085 1 0 "[ ]"
1 39 THR 0.000 0.000 . 0 "[ ]"
1 40 LYS 0.085 0.085 1 0 "[ ]"
1 41 GLU 0.000 0.000 . 0 "[ ]"
1 42 LEU 0.000 0.000 . 0 "[ ]"
1 43 GLY 0.000 0.000 . 0 "[ ]"
1 44 THR 0.000 0.000 . 0 "[ ]"
1 45 VAL 0.013 0.013 1 0 "[ ]"
1 46 MET 0.000 0.000 . 0 "[ ]"
1 47 ARG 0.000 0.000 . 0 "[ ]"
1 48 MET 0.000 0.000 . 0 "[ ]"
1 49 LEU 0.000 0.000 . 0 "[ ]"
1 50 GLY 0.000 0.000 . 0 "[ ]"
1 51 GLN 0.000 0.000 . 0 "[ ]"
1 52 ASN 0.000 0.000 . 0 "[ ]"
1 53 PRO 0.000 0.000 . 0 "[ ]"
1 54 THR 0.000 0.000 . 0 "[ ]"
1 55 LYS 0.000 0.000 . 0 "[ ]"
1 56 GLU 0.000 0.000 . 0 "[ ]"
1 57 GLU 0.000 0.000 . 0 "[ ]"
1 58 LEU 0.035 0.035 1 0 "[ ]"
1 59 ASP 0.000 0.000 . 0 "[ ]"
1 60 ALA 0.000 0.000 . 0 "[ ]"
1 61 ILE 0.035 0.035 1 0 "[ ]"
1 62 ILE 0.000 0.000 . 0 "[ ]"
1 63 GLU 0.000 0.000 . 0 "[ ]"
1 64 GLU 0.000 0.000 . 0 "[ ]"
1 65 VAL 0.000 0.000 . 0 "[ ]"
1 66 ASP 0.000 0.000 . 0 "[ ]"
1 67 GLU 0.000 0.000 . 0 "[ ]"
1 68 ASP 0.000 0.000 . 0 "[ ]"
1 69 GLY 0.000 0.000 . 0 "[ ]"
1 70 SER 0.000 0.000 . 0 "[ ]"
1 71 GLY 0.000 0.000 . 0 "[ ]"
1 72 THR 0.000 0.000 . 0 "[ ]"
1 73 ILE 0.000 0.000 . 0 "[ ]"
1 74 ASP 0.047 0.047 1 0 "[ ]"
1 75 PHE 0.000 0.000 . 0 "[ ]"
1 76 GLU 0.000 0.000 . 0 "[ ]"
1 77 GLU 0.047 0.047 1 0 "[ ]"
1 78 PHE 0.031 0.018 1 0 "[ ]"
1 79 LEU 0.000 0.000 . 0 "[ ]"
1 80 VAL 0.011 0.011 1 0 "[ ]"
1 81 MET 0.000 0.000 . 0 "[ ]"
1 82 MET 0.000 0.000 . 0 "[ ]"
1 83 VAL 0.029 0.029 1 0 "[ ]"
1 84 ARG 0.011 0.011 1 0 "[ ]"
1 85 GLN 0.000 0.000 . 0 "[ ]"
1 86 MET 0.000 0.000 . 0 "[ ]"
1 87 LYS 0.026 0.026 1 0 "[ ]"
1 88 GLU 0.026 0.026 1 0 "[ ]"
1 89 ASP 0.000 0.000 . 0 "[ ]"
1 90 ALA 0.000 0.000 . 0 "[ ]"
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 ALA MB 1 3 MET QB 3.350 . 5.000 2.720 2.720 2.720 . 0 0 "[ ]" 1
2 1 1 ALA MB 1 3 MET QG 3.350 . 5.000 3.724 3.724 3.724 . 0 0 "[ ]" 1
3 1 2 SER H 1 2 SER HA 2.710 . 3.720 2.952 2.952 2.952 . 0 0 "[ ]" 1
4 1 2 SER H 1 2 SER QB 3.170 . 4.640 2.231 2.231 2.231 . 0 0 "[ ]" 1
5 1 2 SER H 1 3 MET QB 3.150 . 4.600 4.114 4.114 4.114 . 0 0 "[ ]" 1
6 1 2 SER H 1 4 THR H 3.220 . 4.740 4.589 4.589 4.589 . 0 0 "[ ]" 1
7 1 2 SER HA 1 3 MET H 2.850 . 4.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
8 1 2 SER QB 1 3 MET H 2.850 . 4.000 3.075 3.075 3.075 . 0 0 "[ ]" 1
9 1 3 MET H 1 3 MET HA 2.740 . 3.780 2.870 2.870 2.870 . 0 0 "[ ]" 1
10 1 3 MET H 1 3 MET QB 2.600 . 3.500 2.044 2.044 2.044 . 0 0 "[ ]" 1
11 1 3 MET H 1 4 THR H 3.140 . 4.580 2.740 2.740 2.740 . 0 0 "[ ]" 1
12 1 3 MET HA 1 3 MET QG 3.350 . 5.000 2.135 2.135 2.135 . 0 0 "[ ]" 1
13 1 3 MET HA 1 4 THR H 2.630 . 3.570 3.588 3.588 3.588 0.018 1 0 "[ ]" 1
14 1 3 MET HA 1 5 ASP H 3.200 . 4.700 4.127 4.127 4.127 . 0 0 "[ ]" 1
15 1 3 MET HA 1 6 GLN QB 3.600 . 5.500 2.812 2.812 2.812 . 0 0 "[ ]" 1
16 1 3 MET QB 1 4 THR H 2.730 . 3.750 2.521 2.521 2.521 . 0 0 "[ ]" 1
17 1 3 MET QB 1 4 THR HB 3.350 . 5.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
18 1 3 MET QB 1 5 ASP H 3.300 . 4.900 4.427 4.427 4.427 . 0 0 "[ ]" 1
19 1 3 MET QB 1 77 GLU QG 3.350 . 5.000 3.270 3.270 3.270 . 0 0 "[ ]" 1
20 1 3 MET QG 1 6 GLN QB 3.350 . 5.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
21 1 3 MET QG 1 64 GLU QG 3.350 . 5.000 3.422 3.422 3.422 . 0 0 "[ ]" 1
22 1 4 THR H 1 4 THR HA 2.690 . 3.690 2.865 2.865 2.865 . 0 0 "[ ]" 1
23 1 4 THR H 1 4 THR HB 2.750 . 3.790 2.365 2.365 2.365 . 0 0 "[ ]" 1
24 1 4 THR H 1 4 THR MG 3.100 . 4.500 2.109 2.109 2.109 . 0 0 "[ ]" 1
25 1 4 THR H 1 5 ASP QB 3.380 . 5.050 4.368 4.368 4.368 . 0 0 "[ ]" 1
26 1 4 THR H 1 6 GLN H 3.400 . 5.090 4.336 4.336 4.336 . 0 0 "[ ]" 1
27 1 4 THR HA 1 7 GLN QB 3.350 . 5.000 2.502 2.502 2.502 . 0 0 "[ ]" 1
28 1 4 THR HA 1 7 GLN QG 3.350 . 5.000 4.106 4.106 4.106 . 0 0 "[ ]" 1
29 1 4 THR HB 1 5 ASP H 2.980 . 4.250 3.955 3.955 3.955 . 0 0 "[ ]" 1
30 1 5 ASP H 1 5 ASP HA 2.710 . 3.720 2.930 2.930 2.930 . 0 0 "[ ]" 1
31 1 5 ASP H 1 5 ASP QB 2.640 . 3.580 2.205 2.205 2.205 . 0 0 "[ ]" 1
32 1 5 ASP H 1 6 GLN QB 3.250 . 4.800 4.132 4.132 4.132 . 0 0 "[ ]" 1
33 1 5 ASP HA 1 7 GLN H 2.760 . 3.820 3.884 3.884 3.884 0.064 1 0 "[ ]" 1
34 1 5 ASP HA 1 8 ALA H 3.090 . 4.480 3.974 3.974 3.974 . 0 0 "[ ]" 1
35 1 6 GLN HA 1 6 GLN QG 3.350 . 5.000 2.422 2.422 2.422 . 0 0 "[ ]" 1
36 1 6 GLN HA 1 9 GLU H 3.150 . 4.600 3.757 3.757 3.757 . 0 0 "[ ]" 1
37 1 6 GLN HA 1 9 GLU QB 3.350 . 5.000 2.887 2.887 2.887 . 0 0 "[ ]" 1
38 1 6 GLN HA 1 10 ALA MB 3.350 . 5.000 4.234 4.234 4.234 . 0 0 "[ ]" 1
39 1 6 GLN QB 1 80 VAL HB 3.350 . 5.000 3.199 3.199 3.199 . 0 0 "[ ]" 1
40 1 6 GLN QB 1 80 VAL QG 3.350 . 5.000 2.338 2.338 2.338 . 0 0 "[ ]" 1
41 1 6 GLN QG 1 80 VAL QG 3.350 . 5.000 3.014 3.014 3.014 . 0 0 "[ ]" 1
42 1 7 GLN H 1 7 GLN HA 2.770 . 3.850 2.893 2.893 2.893 . 0 0 "[ ]" 1
43 1 7 GLN H 1 7 GLN QB 2.490 . 3.280 2.167 2.167 2.167 . 0 0 "[ ]" 1
44 1 7 GLN HA 1 7 GLN QG 3.350 . 5.000 2.345 2.345 2.345 . 0 0 "[ ]" 1
45 1 7 GLN HA 1 10 ALA H 3.850 . 6.000 3.484 3.484 3.484 . 0 0 "[ ]" 1
46 1 7 GLN HA 1 80 VAL H 3.350 . 5.000 4.048 4.048 4.048 . 0 0 "[ ]" 1
47 1 7 GLN HA 1 80 VAL QG 3.350 . 5.000 1.976 1.976 1.976 . 0 0 "[ ]" 1
48 1 7 GLN QB 1 8 ALA H 2.930 . 4.160 2.071 2.071 2.071 . 0 0 "[ ]" 1
49 1 7 GLN QG 1 77 GLU H 2.820 . 3.940 3.514 3.514 3.514 . 0 0 "[ ]" 1
50 1 8 ALA H 1 8 ALA HA 2.710 . 3.720 2.796 2.796 2.796 . 0 0 "[ ]" 1
51 1 8 ALA H 1 8 ALA MB 2.820 . 3.940 2.151 2.151 2.151 . 0 0 "[ ]" 1
52 1 8 ALA H 1 9 GLU H 2.790 . 3.880 2.969 2.969 2.969 . 0 0 "[ ]" 1
53 1 8 ALA H 1 11 ARG H 3.500 . 5.300 4.964 4.964 4.964 . 0 0 "[ ]" 1
54 1 8 ALA HA 1 11 ARG H 3.100 . 4.500 3.800 3.800 3.800 . 0 0 "[ ]" 1
55 1 8 ALA HA 1 12 ALA H 3.350 . 5.000 4.172 4.172 4.172 . 0 0 "[ ]" 1
56 1 8 ALA MB 1 9 GLU H 3.200 . 4.700 2.383 2.383 2.383 . 0 0 "[ ]" 1
57 1 9 GLU H 1 9 GLU HA 2.700 . 3.700 2.892 2.892 2.892 . 0 0 "[ ]" 1
58 1 9 GLU H 1 9 GLU QB 2.580 . 3.460 2.138 2.138 2.138 . 0 0 "[ ]" 1
59 1 9 GLU H 1 9 GLU QG 3.190 . 4.670 3.897 3.897 3.897 . 0 0 "[ ]" 1
60 1 9 GLU HA 1 9 GLU QG 3.350 . 5.000 2.301 2.301 2.301 . 0 0 "[ ]" 1
61 1 9 GLU HA 1 12 ALA H 3.400 . 5.100 3.606 3.606 3.606 . 0 0 "[ ]" 1
62 1 9 GLU HA 1 12 ALA MB 3.850 . 6.000 2.556 2.556 2.556 . 0 0 "[ ]" 1
63 1 10 ALA H 1 11 ARG H 2.780 . 3.860 2.754 2.754 2.754 . 0 0 "[ ]" 1
64 1 10 ALA HA 1 13 PHE H 3.070 . 4.440 3.850 3.850 3.850 . 0 0 "[ ]" 1
65 1 10 ALA HA 1 13 PHE QB 3.350 . 5.000 3.114 3.114 3.114 . 0 0 "[ ]" 1
66 1 10 ALA HA 1 13 PHE HD1 3.750 . 5.800 5.292 5.292 5.292 . 0 0 "[ ]" 1
67 1 10 ALA HA 1 83 VAL HB 3.350 . 5.000 3.005 3.005 3.005 . 0 0 "[ ]" 1
68 1 10 ALA HA 1 83 VAL QG 3.350 . 5.000 2.562 2.562 2.562 . 0 0 "[ ]" 1
69 1 10 ALA HA 1 84 ARG QG 3.350 . 5.000 4.521 4.521 4.521 . 0 0 "[ ]" 1
70 1 10 ALA MB 1 11 ARG H 3.030 . 4.360 2.568 2.568 2.568 . 0 0 "[ ]" 1
71 1 10 ALA MB 1 11 ARG QD 3.350 . 5.000 3.620 3.620 3.620 . 0 0 "[ ]" 1
72 1 10 ALA MB 1 11 ARG QG 3.450 . 5.200 2.848 2.848 2.848 . 0 0 "[ ]" 1
73 1 10 ALA MB 1 77 GLU HA 3.600 . 5.500 4.648 4.648 4.648 . 0 0 "[ ]" 1
74 1 10 ALA MB 1 80 VAL H 3.850 . 6.000 2.775 2.775 2.775 . 0 0 "[ ]" 1
75 1 10 ALA MB 1 80 VAL HA 3.350 . 5.000 1.778 1.778 1.778 . 0 0 "[ ]" 1
76 1 10 ALA MB 1 80 VAL QG 3.350 . 5.000 1.782 1.782 1.782 . 0 0 "[ ]" 1
77 1 10 ALA MB 1 83 VAL QG 3.350 . 5.000 3.055 3.055 3.055 . 0 0 "[ ]" 1
78 1 10 ALA MB 1 84 ARG QG 3.350 . 5.000 3.760 3.760 3.760 . 0 0 "[ ]" 1
79 1 11 ARG H 1 11 ARG HA 2.700 . 3.700 2.934 2.934 2.934 . 0 0 "[ ]" 1
80 1 11 ARG H 1 11 ARG QB 2.550 . 3.400 2.654 2.654 2.654 . 0 0 "[ ]" 1
81 1 11 ARG H 1 11 ARG QD 3.540 . 5.380 2.543 2.543 2.543 . 0 0 "[ ]" 1
82 1 11 ARG H 1 12 ALA H 2.700 . 3.700 2.509 2.509 2.509 . 0 0 "[ ]" 1
83 1 11 ARG H 1 13 PHE H 3.250 . 4.800 4.020 4.020 4.020 . 0 0 "[ ]" 1
84 1 11 ARG HA 1 14 LEU H 3.500 . 5.300 3.636 3.636 3.636 . 0 0 "[ ]" 1
85 1 11 ARG HA 1 14 LEU HG 3.600 . 5.500 4.406 4.406 4.406 . 0 0 "[ ]" 1
86 1 11 ARG HA 1 19 ILE MD 3.350 . 5.000 3.980 3.980 3.980 . 0 0 "[ ]" 1
87 1 11 ARG HA 1 19 ILE QG 3.350 . 5.000 3.740 3.740 3.740 . 0 0 "[ ]" 1
88 1 11 ARG HA 1 79 LEU HA 3.450 . 5.200 5.018 5.018 5.018 . 0 0 "[ ]" 1
89 1 11 ARG HA 1 79 LEU QD 3.350 . 5.000 1.903 1.903 1.903 . 0 0 "[ ]" 1
90 1 11 ARG QB 1 12 ALA H 3.000 . 4.300 2.388 2.388 2.388 . 0 0 "[ ]" 1
91 1 11 ARG QD 1 12 ALA MB 3.550 . 5.400 4.074 4.074 4.074 . 0 0 "[ ]" 1
92 1 11 ARG QG 1 79 LEU QD 3.650 . 5.600 1.772 1.772 1.772 . 0 0 "[ ]" 1
93 1 12 ALA H 1 12 ALA HA 2.690 . 3.680 2.827 2.827 2.827 . 0 0 "[ ]" 1
94 1 12 ALA H 1 12 ALA MB 2.770 . 3.830 2.013 2.013 2.013 . 0 0 "[ ]" 1
95 1 12 ALA H 1 13 PHE H 2.620 . 3.540 2.814 2.814 2.814 . 0 0 "[ ]" 1
96 1 12 ALA H 1 13 PHE QB 3.670 . 5.640 4.458 4.458 4.458 . 0 0 "[ ]" 1
97 1 12 ALA H 1 14 LEU H 3.330 . 4.960 4.435 4.435 4.435 . 0 0 "[ ]" 1
98 1 12 ALA HA 1 19 ILE MD 3.350 . 5.000 4.168 4.168 4.168 . 0 0 "[ ]" 1
99 1 12 ALA MB 1 13 PHE H 3.270 . 4.840 2.666 2.666 2.666 . 0 0 "[ ]" 1
100 1 13 PHE H 1 13 PHE HA 2.690 . 3.690 2.860 2.860 2.860 . 0 0 "[ ]" 1
101 1 13 PHE H 1 13 PHE QB 2.650 . 3.590 2.160 2.160 2.160 . 0 0 "[ ]" 1
102 1 13 PHE H 1 13 PHE QD 3.160 . 4.620 4.128 4.128 4.128 . 0 0 "[ ]" 1
103 1 13 PHE H 1 14 LEU H 2.650 . 3.600 2.732 2.732 2.732 . 0 0 "[ ]" 1
104 1 13 PHE HA 1 13 PHE HD2 3.350 . 5.000 3.083 3.083 3.083 . 0 0 "[ ]" 1
105 1 13 PHE QB 1 14 LEU H 2.990 . 4.280 2.613 2.613 2.613 . 0 0 "[ ]" 1
106 1 13 PHE QB 1 14 LEU QB 3.850 . 6.000 4.252 4.252 4.252 . 0 0 "[ ]" 1
107 1 13 PHE QB 1 83 VAL QG 3.350 . 5.000 1.671 1.671 1.671 0.029 1 0 "[ ]" 1
108 1 13 PHE QD 1 14 LEU H 3.060 . 4.410 3.125 3.125 3.125 . 0 0 "[ ]" 1
109 1 13 PHE HD1 1 14 LEU QD 4.050 . 6.400 2.085 2.085 2.085 . 0 0 "[ ]" 1
110 1 13 PHE HD1 1 83 VAL HB 3.350 . 5.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
111 1 13 PHE HD1 1 83 VAL QG 3.350 . 5.000 1.899 1.899 1.899 . 0 0 "[ ]" 1
112 1 13 PHE HE1 1 14 LEU H 3.750 . 5.800 5.482 5.482 5.482 . 0 0 "[ ]" 1
113 1 13 PHE HE1 1 14 LEU QD 3.350 . 5.000 2.370 2.370 2.370 . 0 0 "[ ]" 1
114 1 13 PHE HE1 1 22 PHE HE2 3.400 . 5.100 5.136 5.136 5.136 0.036 1 0 "[ ]" 1
115 1 13 PHE HE1 1 83 VAL QG 3.350 . 5.000 2.906 2.906 2.906 . 0 0 "[ ]" 1
116 1 13 PHE HE1 1 86 MET QB 3.350 . 5.000 3.214 3.214 3.214 . 0 0 "[ ]" 1
117 1 13 PHE HE1 1 87 LYS HA 3.600 . 5.500 5.065 5.065 5.065 . 0 0 "[ ]" 1
118 1 13 PHE HE1 1 87 LYS QG 3.500 . 5.300 4.516 4.516 4.516 . 0 0 "[ ]" 1
119 1 13 PHE HE1 1 90 ALA MB 3.350 . 5.000 4.192 4.192 4.192 . 0 0 "[ ]" 1
120 1 14 LEU H 1 14 LEU HA 2.730 . 3.770 2.963 2.963 2.963 . 0 0 "[ ]" 1
121 1 14 LEU H 1 14 LEU QB 2.620 . 3.540 2.303 2.303 2.303 . 0 0 "[ ]" 1
122 1 14 LEU H 1 14 LEU QD 3.520 . 5.340 3.179 3.179 3.179 . 0 0 "[ ]" 1
123 1 14 LEU H 1 14 LEU HG 3.580 . 5.460 2.408 2.408 2.408 . 0 0 "[ ]" 1
124 1 14 LEU H 1 15 SER H 3.270 . 4.840 4.612 4.612 4.612 . 0 0 "[ ]" 1
125 1 14 LEU HA 1 14 LEU QD 3.350 . 5.000 2.101 2.101 2.101 . 0 0 "[ ]" 1
126 1 14 LEU HA 1 15 SER H 2.370 . 3.040 2.260 2.260 2.260 . 0 0 "[ ]" 1
127 1 14 LEU QB 1 15 SER H 3.120 . 4.540 3.061 3.061 3.061 . 0 0 "[ ]" 1
128 1 14 LEU QD 1 15 SER H 3.850 . 6.000 3.404 3.404 3.404 . 0 0 "[ ]" 1
129 1 14 LEU QD 1 22 PHE HE2 3.350 . 5.000 1.902 1.902 1.902 . 0 0 "[ ]" 1
130 1 14 LEU QD 1 83 VAL QG 4.200 . 6.700 2.088 2.088 2.088 . 0 0 "[ ]" 1
131 1 14 LEU HG 1 83 VAL QG 3.600 . 5.500 1.988 1.988 1.988 . 0 0 "[ ]" 1
132 1 15 SER H 1 15 SER HA 2.700 . 3.700 2.931 2.931 2.931 . 0 0 "[ ]" 1
133 1 15 SER H 1 15 SER QB 2.650 . 3.610 2.165 2.165 2.165 . 0 0 "[ ]" 1
134 1 15 SER H 1 16 GLU H 3.660 . 5.620 4.631 4.631 4.631 . 0 0 "[ ]" 1
135 1 15 SER H 1 18 MET QB 3.050 . 4.400 2.462 2.462 2.462 . 0 0 "[ ]" 1
136 1 15 SER HA 1 16 GLU H 2.380 . 3.070 2.526 2.526 2.526 . 0 0 "[ ]" 1
137 1 15 SER QB 1 16 GLU H 2.830 . 3.960 2.364 2.364 2.364 . 0 0 "[ ]" 1
138 1 15 SER QB 1 16 GLU QB 3.450 . 5.200 3.741 3.741 3.741 . 0 0 "[ ]" 1
139 1 15 SER QB 1 17 GLU H 2.940 . 4.170 2.719 2.719 2.719 . 0 0 "[ ]" 1
140 1 15 SER QB 1 18 MET H 3.480 . 5.250 2.790 2.790 2.790 . 0 0 "[ ]" 1
141 1 16 GLU H 1 16 GLU HA 2.690 . 3.690 2.846 2.846 2.846 . 0 0 "[ ]" 1
142 1 16 GLU H 1 16 GLU QB 2.520 . 3.330 2.128 2.128 2.128 . 0 0 "[ ]" 1
143 1 16 GLU H 1 16 GLU QG 3.050 . 4.400 3.916 3.916 3.916 . 0 0 "[ ]" 1
144 1 16 GLU H 1 17 GLU H 2.770 . 3.840 2.782 2.782 2.782 . 0 0 "[ ]" 1
145 1 16 GLU HA 1 16 GLU QG 3.350 . 5.000 2.153 2.153 2.153 . 0 0 "[ ]" 1
146 1 16 GLU HA 1 17 GLU H 3.170 . 4.640 3.576 3.576 3.576 . 0 0 "[ ]" 1
147 1 16 GLU HA 1 19 ILE H 2.770 . 3.850 3.509 3.509 3.509 . 0 0 "[ ]" 1
148 1 16 GLU HA 1 19 ILE HB 3.350 . 5.000 2.559 2.559 2.559 . 0 0 "[ ]" 1
149 1 16 GLU HA 1 19 ILE MG 3.350 . 5.000 3.811 3.811 3.811 . 0 0 "[ ]" 1
150 1 16 GLU QG 1 17 GLU H 3.100 . 4.500 3.879 3.879 3.879 . 0 0 "[ ]" 1
151 1 16 GLU QG 1 20 ALA H 3.470 . 5.240 4.251 4.251 4.251 . 0 0 "[ ]" 1
152 1 17 GLU H 1 17 GLU HA 2.690 . 3.680 2.876 2.876 2.876 . 0 0 "[ ]" 1
153 1 17 GLU H 1 17 GLU QB 2.670 . 3.640 2.114 2.114 2.114 . 0 0 "[ ]" 1
154 1 17 GLU H 1 17 GLU QG 3.270 . 4.840 3.872 3.872 3.872 . 0 0 "[ ]" 1
155 1 17 GLU H 1 18 MET H 2.850 . 4.000 2.679 2.679 2.679 . 0 0 "[ ]" 1
156 1 17 GLU H 1 19 ILE H 3.710 . 5.720 4.154 4.154 4.154 . 0 0 "[ ]" 1
157 1 17 GLU H 1 20 ALA H 3.850 . 6.000 4.893 4.893 4.893 . 0 0 "[ ]" 1
158 1 17 GLU HA 1 20 ALA H 3.150 . 4.590 3.847 3.847 3.847 . 0 0 "[ ]" 1
159 1 17 GLU HA 1 20 ALA MB 3.350 . 5.000 3.060 3.060 3.060 . 0 0 "[ ]" 1
160 1 17 GLU QG 1 18 MET H 3.100 . 4.500 3.993 3.993 3.993 . 0 0 "[ ]" 1
161 1 18 MET H 1 18 MET HA 2.690 . 3.680 2.910 2.910 2.910 . 0 0 "[ ]" 1
162 1 18 MET H 1 18 MET QB 2.830 . 3.950 2.112 2.112 2.112 . 0 0 "[ ]" 1
163 1 18 MET H 1 19 ILE H 2.770 . 3.840 2.583 2.583 2.583 . 0 0 "[ ]" 1
164 1 18 MET HA 1 18 MET ME 3.350 . 5.000 3.115 3.115 3.115 . 0 0 "[ ]" 1
165 1 18 MET HA 1 18 MET QG 3.350 . 5.000 2.040 2.040 2.040 . 0 0 "[ ]" 1
166 1 18 MET HA 1 21 GLU H 3.060 . 4.420 3.335 3.335 3.335 . 0 0 "[ ]" 1
167 1 18 MET HA 1 21 GLU QB 3.350 . 5.000 2.127 2.127 2.127 . 0 0 "[ ]" 1
168 1 18 MET HA 1 21 GLU QG 3.350 . 5.000 3.444 3.444 3.444 . 0 0 "[ ]" 1
169 1 18 MET QB 1 18 MET ME 3.350 . 5.000 3.186 3.186 3.186 . 0 0 "[ ]" 1
170 1 18 MET QB 1 21 GLU QB 3.400 . 5.100 4.085 4.085 4.085 . 0 0 "[ ]" 1
171 1 18 MET ME 1 21 GLU QB 3.450 . 5.200 3.847 3.847 3.847 . 0 0 "[ ]" 1
172 1 18 MET ME 1 22 PHE HE1 3.350 . 5.000 2.773 2.773 2.773 . 0 0 "[ ]" 1
173 1 18 MET QG 1 22 PHE QB 3.700 . 5.700 4.444 4.444 4.444 . 0 0 "[ ]" 1
174 1 18 MET QG 1 22 PHE HE1 3.600 . 5.500 3.001 3.001 3.001 . 0 0 "[ ]" 1
175 1 19 ILE H 1 19 ILE HA 2.700 . 3.700 2.869 2.869 2.869 . 0 0 "[ ]" 1
176 1 19 ILE H 1 19 ILE HB 2.390 . 3.080 2.288 2.288 2.288 . 0 0 "[ ]" 1
177 1 19 ILE H 1 20 ALA H 2.830 . 3.950 2.745 2.745 2.745 . 0 0 "[ ]" 1
178 1 19 ILE HA 1 19 ILE MD 3.350 . 5.000 3.827 3.827 3.827 . 0 0 "[ ]" 1
179 1 19 ILE HA 1 19 ILE QG 3.350 . 5.000 2.360 2.360 2.360 . 0 0 "[ ]" 1
180 1 19 ILE HA 1 19 ILE MG 3.350 . 5.000 2.483 2.483 2.483 . 0 0 "[ ]" 1
181 1 19 ILE HA 1 20 ALA H 3.260 . 4.820 3.589 3.589 3.589 . 0 0 "[ ]" 1
182 1 19 ILE HA 1 21 GLU H 3.720 . 5.740 4.394 4.394 4.394 . 0 0 "[ ]" 1
183 1 19 ILE HA 1 22 PHE H 2.790 . 3.890 3.580 3.580 3.580 . 0 0 "[ ]" 1
184 1 19 ILE HA 1 22 PHE QB 3.600 . 5.500 2.892 2.892 2.892 . 0 0 "[ ]" 1
185 1 19 ILE HA 1 22 PHE HD2 3.600 . 5.500 3.909 3.909 3.909 . 0 0 "[ ]" 1
186 1 19 ILE HB 1 19 ILE MD 3.350 . 5.000 2.239 2.239 2.239 . 0 0 "[ ]" 1
187 1 19 ILE HB 1 20 ALA H 2.710 . 3.730 2.475 2.475 2.475 . 0 0 "[ ]" 1
188 1 19 ILE MD 1 19 ILE MG 3.350 . 5.000 2.065 2.065 2.065 . 0 0 "[ ]" 1
189 1 19 ILE QG 1 20 ALA H 3.640 . 5.580 4.148 4.148 4.148 . 0 0 "[ ]" 1
190 1 19 ILE QG 1 79 LEU QD 3.350 . 5.000 2.567 2.567 2.567 . 0 0 "[ ]" 1
191 1 19 ILE MG 1 20 ALA HA 3.350 . 5.000 3.320 3.320 3.320 . 0 0 "[ ]" 1
192 1 19 ILE MG 1 23 LYS H 3.540 . 5.370 4.477 4.477 4.477 . 0 0 "[ ]" 1
193 1 19 ILE MG 1 23 LYS QD 3.350 . 5.000 3.719 3.719 3.719 . 0 0 "[ ]" 1
194 1 19 ILE MG 1 75 PHE HE1 3.600 . 5.500 2.430 2.430 2.430 . 0 0 "[ ]" 1
195 1 19 ILE MG 1 75 PHE HZ 3.350 . 5.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
196 1 20 ALA H 1 20 ALA HA 2.690 . 3.680 2.893 2.893 2.893 . 0 0 "[ ]" 1
197 1 20 ALA H 1 20 ALA MB 2.770 . 3.850 2.140 2.140 2.140 . 0 0 "[ ]" 1
198 1 20 ALA H 1 21 GLU H 2.650 . 3.600 2.581 2.581 2.581 . 0 0 "[ ]" 1
199 1 20 ALA H 1 22 PHE H 3.410 . 5.120 4.176 4.176 4.176 . 0 0 "[ ]" 1
200 1 20 ALA HA 1 23 LYS H 2.830 . 3.960 3.301 3.301 3.301 . 0 0 "[ ]" 1
201 1 20 ALA HA 1 23 LYS QB 3.350 . 5.000 2.321 2.321 2.321 . 0 0 "[ ]" 1
202 1 20 ALA HA 1 23 LYS QD 3.350 . 5.000 4.118 4.118 4.118 . 0 0 "[ ]" 1
203 1 20 ALA MB 1 21 GLU H 3.080 . 4.460 2.583 2.583 2.583 . 0 0 "[ ]" 1
204 1 21 GLU H 1 21 GLU HA 2.690 . 3.690 2.878 2.878 2.878 . 0 0 "[ ]" 1
205 1 21 GLU H 1 21 GLU QB 2.440 . 3.170 2.157 2.157 2.157 . 0 0 "[ ]" 1
206 1 21 GLU H 1 21 GLU QG 3.080 . 4.460 3.948 3.948 3.948 . 0 0 "[ ]" 1
207 1 21 GLU H 1 22 PHE H 2.630 . 3.560 2.649 2.649 2.649 . 0 0 "[ ]" 1
208 1 21 GLU H 1 22 PHE QD 3.510 . 5.320 4.670 4.670 4.670 . 0 0 "[ ]" 1
209 1 21 GLU HA 1 21 GLU QG 3.350 . 5.000 2.996 2.996 2.996 . 0 0 "[ ]" 1
210 1 21 GLU HA 1 22 PHE H 2.920 . 4.140 3.567 3.567 3.567 . 0 0 "[ ]" 1
211 1 21 GLU HA 1 24 ALA H 3.150 . 4.590 4.319 4.319 4.319 . 0 0 "[ ]" 1
212 1 21 GLU QB 1 22 PHE H 2.540 . 3.390 2.534 2.534 2.534 . 0 0 "[ ]" 1
213 1 21 GLU QG 1 49 LEU QD 3.350 . 5.000 3.312 3.312 3.312 . 0 0 "[ ]" 1
214 1 22 PHE H 1 22 PHE HA 2.710 . 3.710 2.923 2.923 2.923 . 0 0 "[ ]" 1
215 1 22 PHE H 1 22 PHE QB 2.610 . 3.520 2.263 2.263 2.263 . 0 0 "[ ]" 1
216 1 22 PHE H 1 22 PHE QD 2.620 . 3.540 2.721 2.721 2.721 . 0 0 "[ ]" 1
217 1 22 PHE H 1 22 PHE QE 3.620 . 5.540 4.504 4.504 4.504 . 0 0 "[ ]" 1
218 1 22 PHE HA 1 22 PHE HD1 3.350 . 5.000 2.015 2.015 2.015 . 0 0 "[ ]" 1
219 1 22 PHE HA 1 23 LYS H 3.270 . 4.840 3.497 3.497 3.497 . 0 0 "[ ]" 1
220 1 22 PHE HA 1 25 ALA H 3.600 . 5.500 3.457 3.457 3.457 . 0 0 "[ ]" 1
221 1 22 PHE HA 1 49 LEU QD 3.350 . 5.000 1.847 1.847 1.847 . 0 0 "[ ]" 1
222 1 22 PHE QB 1 23 LYS H 3.000 . 4.300 2.936 2.936 2.936 . 0 0 "[ ]" 1
223 1 22 PHE QB 1 45 VAL QG 4.150 . 6.600 4.397 4.397 4.397 . 0 0 "[ ]" 1
224 1 22 PHE QB 1 75 PHE HE2 3.350 . 5.000 4.134 4.134 4.134 . 0 0 "[ ]" 1
225 1 22 PHE QB 1 78 PHE HE2 3.350 . 5.000 3.737 3.737 3.737 . 0 0 "[ ]" 1
226 1 22 PHE HD1 1 49 LEU QD 3.550 . 5.400 2.231 2.231 2.231 . 0 0 "[ ]" 1
227 1 22 PHE HD2 1 75 PHE HZ 3.350 . 5.000 4.930 4.930 4.930 . 0 0 "[ ]" 1
228 1 22 PHE HD2 1 78 PHE HE2 3.350 . 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 1
229 1 22 PHE HD2 1 79 LEU HA 3.350 . 5.000 4.857 4.857 4.857 . 0 0 "[ ]" 1
230 1 23 LYS H 1 23 LYS HA 2.710 . 3.710 2.836 2.836 2.836 . 0 0 "[ ]" 1
231 1 23 LYS H 1 23 LYS QB 2.580 . 3.460 2.117 2.117 2.117 . 0 0 "[ ]" 1
232 1 23 LYS H 1 23 LYS QD 3.050 . 4.400 3.764 3.764 3.764 . 0 0 "[ ]" 1
233 1 23 LYS H 1 23 LYS QG 3.200 . 4.700 4.014 4.014 4.014 . 0 0 "[ ]" 1
234 1 23 LYS H 1 24 ALA H 2.790 . 3.870 2.932 2.932 2.932 . 0 0 "[ ]" 1
235 1 23 LYS H 1 75 PHE QE 3.230 . 4.750 4.120 4.120 4.120 . 0 0 "[ ]" 1
236 1 23 LYS H 1 75 PHE HZ 2.830 . 3.950 3.073 3.073 3.073 . 0 0 "[ ]" 1
237 1 23 LYS HA 1 23 LYS QD 3.350 . 5.000 2.024 2.024 2.024 . 0 0 "[ ]" 1
238 1 23 LYS HA 1 24 ALA H 3.460 . 5.210 3.591 3.591 3.591 . 0 0 "[ ]" 1
239 1 23 LYS HA 1 24 ALA HA 3.350 . 5.000 4.841 4.841 4.841 . 0 0 "[ ]" 1
240 1 23 LYS HA 1 25 ALA H 3.830 . 5.950 4.651 4.651 4.651 . 0 0 "[ ]" 1
241 1 23 LYS HA 1 26 PHE H 2.720 . 3.740 3.756 3.756 3.756 0.016 1 0 "[ ]" 1
242 1 23 LYS HA 1 75 PHE HE2 3.350 . 5.000 1.922 1.922 1.922 . 0 0 "[ ]" 1
243 1 23 LYS QB 1 24 ALA H 2.970 . 4.240 2.151 2.151 2.151 . 0 0 "[ ]" 1
244 1 23 LYS QB 1 25 ALA H 3.720 . 5.740 4.527 4.527 4.527 . 0 0 "[ ]" 1
245 1 23 LYS QB 1 75 PHE HE2 3.350 . 5.000 4.057 4.057 4.057 . 0 0 "[ ]" 1
246 1 23 LYS QD 1 24 ALA H 3.400 . 5.100 4.594 4.594 4.594 . 0 0 "[ ]" 1
247 1 23 LYS QD 1 27 ASP H 3.640 . 5.580 4.683 4.683 4.683 . 0 0 "[ ]" 1
248 1 24 ALA H 1 24 ALA HA 2.690 . 3.680 2.859 2.859 2.859 . 0 0 "[ ]" 1
249 1 24 ALA H 1 24 ALA MB 2.910 . 4.120 2.158 2.158 2.158 . 0 0 "[ ]" 1
250 1 24 ALA H 1 25 ALA H 2.740 . 3.780 2.768 2.768 2.768 . 0 0 "[ ]" 1
251 1 24 ALA H 1 26 PHE H 3.850 . 6.000 4.290 4.290 4.290 . 0 0 "[ ]" 1
252 1 24 ALA H 1 27 ASP H 3.850 . 6.000 4.802 4.802 4.802 . 0 0 "[ ]" 1
253 1 24 ALA HA 1 25 ALA H 3.020 . 4.340 3.582 3.582 3.582 . 0 0 "[ ]" 1
254 1 24 ALA HA 1 27 ASP H 3.100 . 4.500 3.603 3.603 3.603 . 0 0 "[ ]" 1
255 1 24 ALA HA 1 27 ASP QB 3.850 . 6.000 2.665 2.665 2.665 . 0 0 "[ ]" 1
256 1 24 ALA MB 1 25 ALA H 3.090 . 4.480 2.445 2.445 2.445 . 0 0 "[ ]" 1
257 1 24 ALA MB 1 25 ALA HA 3.350 . 5.000 3.887 3.887 3.887 . 0 0 "[ ]" 1
258 1 25 ALA H 1 25 ALA MB 2.830 . 3.960 2.144 2.144 2.144 . 0 0 "[ ]" 1
259 1 25 ALA H 1 26 PHE H 2.640 . 3.580 2.733 2.733 2.733 . 0 0 "[ ]" 1
260 1 25 ALA H 1 26 PHE QB 3.790 . 5.880 4.398 4.398 4.398 . 0 0 "[ ]" 1
261 1 25 ALA H 1 27 ASP H 3.400 . 5.090 4.202 4.202 4.202 . 0 0 "[ ]" 1
262 1 25 ALA H 1 28 MET QG 3.500 . 5.300 4.337 4.337 4.337 . 0 0 "[ ]" 1
263 1 25 ALA HA 1 26 PHE H 3.170 . 4.640 3.581 3.581 3.581 . 0 0 "[ ]" 1
264 1 25 ALA HA 1 28 MET H 2.890 . 4.080 3.886 3.886 3.886 . 0 0 "[ ]" 1
265 1 25 ALA HA 1 28 MET QG 3.350 . 5.000 2.096 2.096 2.096 . 0 0 "[ ]" 1
266 1 25 ALA HA 1 49 LEU QD 3.600 . 5.500 4.060 4.060 4.060 . 0 0 "[ ]" 1
267 1 25 ALA MB 1 26 PHE H 3.120 . 4.540 2.431 2.431 2.431 . 0 0 "[ ]" 1
268 1 26 PHE H 1 26 PHE HA 2.710 . 3.720 2.889 2.889 2.889 . 0 0 "[ ]" 1
269 1 26 PHE H 1 26 PHE QB 2.600 . 3.500 2.169 2.169 2.169 . 0 0 "[ ]" 1
270 1 26 PHE H 1 27 ASP H 2.780 . 3.860 2.642 2.642 2.642 . 0 0 "[ ]" 1
271 1 26 PHE H 1 28 MET H 3.580 . 5.460 4.056 4.056 4.056 . 0 0 "[ ]" 1
272 1 26 PHE H 1 45 VAL QG 4.100 . 6.500 3.445 3.445 3.445 . 0 0 "[ ]" 1
273 1 26 PHE H 1 75 PHE QE 3.090 . 4.480 3.687 3.687 3.687 . 0 0 "[ ]" 1
274 1 26 PHE HA 1 27 ASP H 3.080 . 4.460 3.574 3.574 3.574 . 0 0 "[ ]" 1
275 1 26 PHE HA 1 28 MET H 3.560 . 5.420 3.668 3.668 3.668 . 0 0 "[ ]" 1
276 1 26 PHE HA 1 29 PHE H 3.200 . 4.700 4.613 4.613 4.613 . 0 0 "[ ]" 1
277 1 26 PHE HA 1 45 VAL QG 3.600 . 5.500 1.731 1.731 1.731 . 0 0 "[ ]" 1
278 1 26 PHE HA 1 49 LEU QD 3.450 . 5.200 3.883 3.883 3.883 . 0 0 "[ ]" 1
279 1 26 PHE QB 1 27 ASP H 2.950 . 4.200 2.540 2.540 2.540 . 0 0 "[ ]" 1
280 1 26 PHE QE 1 36 ASP H 3.450 . 5.200 3.054 3.054 3.054 . 0 0 "[ ]" 1
281 1 26 PHE QE 1 37 ILE H 3.350 . 5.000 3.320 3.320 3.320 . 0 0 "[ ]" 1
282 1 26 PHE QE 1 75 PHE H 3.200 . 4.700 4.159 4.159 4.159 . 0 0 "[ ]" 1
283 1 26 PHE HZ 1 29 PHE HD2 4.100 . 6.500 6.284 6.284 6.284 . 0 0 "[ ]" 1
284 1 26 PHE HZ 1 36 ASP H 3.250 . 4.790 4.471 4.471 4.471 . 0 0 "[ ]" 1
285 1 26 PHE HZ 1 36 ASP HA 3.650 . 5.600 1.776 1.776 1.776 . 0 0 "[ ]" 1
286 1 26 PHE HZ 1 37 ILE H 3.150 . 4.600 2.245 2.245 2.245 . 0 0 "[ ]" 1
287 1 26 PHE HZ 1 74 ASP HA 3.400 . 5.100 4.052 4.052 4.052 . 0 0 "[ ]" 1
288 1 26 PHE HZ 1 75 PHE H 3.200 . 4.700 4.318 4.318 4.318 . 0 0 "[ ]" 1
289 1 27 ASP H 1 27 ASP HA 2.710 . 3.720 2.891 2.891 2.891 . 0 0 "[ ]" 1
290 1 27 ASP H 1 27 ASP QB 2.760 . 3.820 2.071 2.071 2.071 . 0 0 "[ ]" 1
291 1 27 ASP H 1 28 MET H 2.810 . 3.920 2.787 2.787 2.787 . 0 0 "[ ]" 1
292 1 27 ASP HA 1 30 ASP H 2.870 . 4.040 3.223 3.223 3.223 . 0 0 "[ ]" 1
293 1 27 ASP HA 1 30 ASP QB 3.350 . 5.000 2.327 2.327 2.327 . 0 0 "[ ]" 1
294 1 27 ASP QB 1 28 MET H 3.210 . 4.720 3.385 3.385 3.385 . 0 0 "[ ]" 1
295 1 27 ASP QB 1 30 ASP QB 3.600 . 5.500 3.114 3.114 3.114 . 0 0 "[ ]" 1
296 1 28 MET H 1 28 MET HA 2.690 . 3.690 2.866 2.866 2.866 . 0 0 "[ ]" 1
297 1 28 MET H 1 28 MET QB 2.730 . 3.750 2.227 2.227 2.227 . 0 0 "[ ]" 1
298 1 28 MET H 1 29 PHE H 2.790 . 3.880 2.674 2.674 2.674 . 0 0 "[ ]" 1
299 1 28 MET H 1 29 PHE QD 2.960 . 4.210 3.762 3.762 3.762 . 0 0 "[ ]" 1
300 1 28 MET H 1 29 PHE HD2 3.350 . 5.000 3.802 3.802 3.802 . 0 0 "[ ]" 1
301 1 28 MET H 1 29 PHE QE 3.620 . 5.540 3.877 3.877 3.877 . 0 0 "[ ]" 1
302 1 28 MET H 1 30 ASP H 3.850 . 6.000 4.278 4.278 4.278 . 0 0 "[ ]" 1
303 1 28 MET HA 1 28 MET QG 3.350 . 5.000 2.373 2.373 2.373 . 0 0 "[ ]" 1
304 1 28 MET HA 1 29 PHE H 2.600 . 3.500 3.481 3.481 3.481 . 0 0 "[ ]" 1
305 1 28 MET HA 1 30 ASP H 3.100 . 4.500 4.122 4.122 4.122 . 0 0 "[ ]" 1
306 1 28 MET QB 1 29 PHE H 2.650 . 3.600 2.988 2.988 2.988 . 0 0 "[ ]" 1
307 1 28 MET QB 1 29 PHE HD2 3.350 . 5.000 3.471 3.471 3.471 . 0 0 "[ ]" 1
308 1 28 MET QB 1 44 THR MG 3.700 . 5.700 4.284 4.284 4.284 . 0 0 "[ ]" 1
309 1 28 MET QG 1 29 PHE H 3.250 . 4.800 4.306 4.306 4.306 . 0 0 "[ ]" 1
310 1 28 MET QG 1 29 PHE HE2 3.350 . 5.000 4.145 4.145 4.145 . 0 0 "[ ]" 1
311 1 29 PHE H 1 29 PHE HA 2.730 . 3.750 2.997 2.997 2.997 . 0 0 "[ ]" 1
312 1 29 PHE H 1 29 PHE QB 2.950 . 4.200 2.820 2.820 2.820 . 0 0 "[ ]" 1
313 1 29 PHE H 1 29 PHE QD 2.430 . 3.160 2.511 2.511 2.511 . 0 0 "[ ]" 1
314 1 29 PHE H 1 29 PHE QE 3.100 . 4.500 4.032 4.032 4.032 . 0 0 "[ ]" 1
315 1 29 PHE H 1 30 ASP H 2.300 . 2.900 2.412 2.412 2.412 . 0 0 "[ ]" 1
316 1 29 PHE H 1 30 ASP QB 3.250 . 4.800 3.734 3.734 3.734 . 0 0 "[ ]" 1
317 1 29 PHE H 1 31 ALA H 3.600 . 5.500 5.600 5.600 5.600 0.100 1 0 "[ ]" 1
318 1 29 PHE H 1 37 ILE MD 3.230 . 4.750 3.970 3.970 3.970 . 0 0 "[ ]" 1
319 1 29 PHE H 1 37 ILE MG 3.380 . 5.050 2.485 2.485 2.485 . 0 0 "[ ]" 1
320 1 29 PHE QB 1 30 ASP H 3.050 . 4.400 3.778 3.778 3.778 . 0 0 "[ ]" 1
321 1 29 PHE QB 1 41 GLU QG 3.350 . 5.000 1.915 1.915 1.915 . 0 0 "[ ]" 1
322 1 29 PHE HD1 1 44 THR MG 3.450 . 5.200 3.370 3.370 3.370 . 0 0 "[ ]" 1
323 1 29 PHE HD2 1 45 VAL HB 3.350 . 5.000 2.907 2.907 2.907 . 0 0 "[ ]" 1
324 1 29 PHE HD2 1 45 VAL QG 3.350 . 5.000 3.410 3.410 3.410 . 0 0 "[ ]" 1
325 1 29 PHE HE1 1 44 THR HB 3.350 . 5.000 4.202 4.202 4.202 . 0 0 "[ ]" 1
326 1 29 PHE HE1 1 44 THR MG 3.350 . 5.000 2.179 2.179 2.179 . 0 0 "[ ]" 1
327 1 29 PHE HE2 1 45 VAL QG 3.350 . 5.000 2.353 2.353 2.353 . 0 0 "[ ]" 1
328 1 30 ASP H 1 30 ASP QB 2.950 . 4.200 1.991 1.991 1.991 . 0 0 "[ ]" 1
329 1 30 ASP H 1 31 ALA H 2.980 . 4.250 3.972 3.972 3.972 . 0 0 "[ ]" 1
330 1 30 ASP H 1 37 ILE MG 3.600 . 5.500 3.058 3.058 3.058 . 0 0 "[ ]" 1
331 1 30 ASP HA 1 31 ALA H 3.440 . 5.170 2.369 2.369 2.369 . 0 0 "[ ]" 1
332 1 30 ASP HA 1 32 ASP H 2.770 . 3.850 3.637 3.637 3.637 . 0 0 "[ ]" 1
333 1 30 ASP HA 1 37 ILE MG 3.350 . 5.000 2.208 2.208 2.208 . 0 0 "[ ]" 1
334 1 30 ASP QB 1 31 ALA H 3.340 . 4.980 3.940 3.940 3.940 . 0 0 "[ ]" 1
335 1 30 ASP QB 1 32 ASP H 3.450 . 5.200 4.153 4.153 4.153 . 0 0 "[ ]" 1
336 1 30 ASP QB 1 33 GLY H 3.250 . 4.800 2.794 2.794 2.794 . 0 0 "[ ]" 1
337 1 30 ASP QB 1 36 ASP H 3.590 . 5.480 4.281 4.281 4.281 . 0 0 "[ ]" 1
338 1 30 ASP QB 1 37 ILE HA 3.750 . 5.800 4.895 4.895 4.895 . 0 0 "[ ]" 1
339 1 31 ALA H 1 31 ALA HA 2.690 . 3.690 2.825 2.825 2.825 . 0 0 "[ ]" 1
340 1 31 ALA H 1 32 ASP H 2.780 . 3.860 2.853 2.853 2.853 . 0 0 "[ ]" 1
341 1 31 ALA H 1 32 ASP HA 3.760 . 5.820 5.503 5.503 5.503 . 0 0 "[ ]" 1
342 1 31 ALA H 1 32 ASP QB 3.800 . 5.900 4.839 4.839 4.839 . 0 0 "[ ]" 1
343 1 31 ALA H 1 33 GLY H 3.400 . 5.100 4.096 4.096 4.096 . 0 0 "[ ]" 1
344 1 31 ALA H 1 33 GLY QA 3.950 . 6.200 5.382 5.382 5.382 . 0 0 "[ ]" 1
345 1 31 ALA H 1 34 GLY H 3.750 . 5.800 5.858 5.858 5.858 0.058 1 0 "[ ]" 1
346 1 31 ALA H 1 37 ILE MG 4.000 . 6.300 3.853 3.853 3.853 . 0 0 "[ ]" 1
347 1 31 ALA HA 1 32 ASP H 3.440 . 5.180 3.573 3.573 3.573 . 0 0 "[ ]" 1
348 1 31 ALA MB 1 32 ASP H 2.600 . 3.500 2.528 2.528 2.528 . 0 0 "[ ]" 1
349 1 31 ALA MB 1 32 ASP HA 3.430 . 5.160 3.986 3.986 3.986 . 0 0 "[ ]" 1
350 1 31 ALA MB 1 33 GLY H 3.850 . 6.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
351 1 32 ASP H 1 32 ASP QB 2.400 . 3.100 2.301 2.301 2.301 . 0 0 "[ ]" 1
352 1 32 ASP H 1 33 GLY H 2.440 . 3.180 2.263 2.263 2.263 . 0 0 "[ ]" 1
353 1 32 ASP H 1 33 GLY QA 3.500 . 5.300 4.218 4.218 4.218 . 0 0 "[ ]" 1
354 1 32 ASP H 1 34 GLY H 3.210 . 4.710 4.072 4.072 4.072 . 0 0 "[ ]" 1
355 1 32 ASP HA 1 33 GLY H 3.060 . 4.410 3.555 3.555 3.555 . 0 0 "[ ]" 1
356 1 32 ASP HA 1 34 GLY H 3.500 . 5.300 5.138 5.138 5.138 . 0 0 "[ ]" 1
357 1 32 ASP QB 1 33 GLY H 3.350 . 5.000 2.649 2.649 2.649 . 0 0 "[ ]" 1
358 1 32 ASP QB 1 34 GLY H 3.850 . 6.000 3.060 3.060 3.060 . 0 0 "[ ]" 1
359 1 33 GLY H 1 34 GLY H 3.580 . 5.460 2.343 2.343 2.343 . 0 0 "[ ]" 1
360 1 33 GLY H 1 34 GLY QA 3.250 . 4.800 4.290 4.290 4.290 . 0 0 "[ ]" 1
361 1 33 GLY H 1 35 GLY H 3.850 . 6.000 4.449 4.449 4.449 . 0 0 "[ ]" 1
362 1 33 GLY H 1 35 GLY QA 4.450 . 7.200 5.948 5.948 5.948 . 0 0 "[ ]" 1
363 1 33 GLY H 1 36 ASP H 3.200 . 4.700 4.432 4.432 4.432 . 0 0 "[ ]" 1
364 1 33 GLY QA 1 34 GLY H 3.400 . 5.100 2.763 2.763 2.763 . 0 0 "[ ]" 1
365 1 34 GLY H 1 35 GLY QA 3.770 . 5.840 4.399 4.399 4.399 . 0 0 "[ ]" 1
366 1 34 GLY H 1 36 ASP H 3.190 . 4.670 3.010 3.010 3.010 . 0 0 "[ ]" 1
367 1 34 GLY QA 1 35 GLY H 3.710 . 5.720 2.832 2.832 2.832 . 0 0 "[ ]" 1
368 1 34 GLY QA 1 36 ASP H 3.600 . 5.500 3.870 3.870 3.870 . 0 0 "[ ]" 1
369 1 35 GLY H 1 36 ASP H 2.710 . 3.720 2.608 2.608 2.608 . 0 0 "[ ]" 1
370 1 35 GLY QA 1 36 ASP H 2.850 . 4.000 2.853 2.853 2.853 . 0 0 "[ ]" 1
371 1 35 GLY QA 1 75 PHE H 3.090 . 4.480 3.746 3.746 3.746 . 0 0 "[ ]" 1
372 1 36 ASP H 1 36 ASP HA 2.700 . 3.700 2.948 2.948 2.948 . 0 0 "[ ]" 1
373 1 36 ASP H 1 36 ASP QB 2.830 . 3.950 3.138 3.138 3.138 . 0 0 "[ ]" 1
374 1 36 ASP H 1 37 ILE H 3.360 . 5.020 4.338 4.338 4.338 . 0 0 "[ ]" 1
375 1 36 ASP HA 1 37 ILE H 2.350 . 3.000 2.260 2.260 2.260 . 0 0 "[ ]" 1
376 1 36 ASP HA 1 73 ILE H 3.750 . 5.800 4.125 4.125 4.125 . 0 0 "[ ]" 1
377 1 36 ASP HA 1 74 ASP HA 3.350 . 5.000 3.380 3.380 3.380 . 0 0 "[ ]" 1
378 1 36 ASP QB 1 37 ILE H 2.760 . 3.820 2.955 2.955 2.955 . 0 0 "[ ]" 1
379 1 36 ASP QB 1 39 THR MG 4.400 . 7.100 5.323 5.323 5.323 . 0 0 "[ ]" 1
380 1 36 ASP QB 1 73 ILE H 2.540 . 3.370 3.015 3.015 3.015 . 0 0 "[ ]" 1
381 1 36 ASP QB 1 74 ASP H 3.350 . 5.000 4.044 4.044 4.044 . 0 0 "[ ]" 1
382 1 36 ASP QB 1 74 ASP HA 3.350 . 5.000 2.346 2.346 2.346 . 0 0 "[ ]" 1
383 1 36 ASP QB 1 75 PHE H 2.960 . 4.210 3.748 3.748 3.748 . 0 0 "[ ]" 1
384 1 37 ILE H 1 37 ILE HA 2.720 . 3.740 3.006 3.006 3.006 . 0 0 "[ ]" 1
385 1 37 ILE H 1 37 ILE HB 3.030 . 4.360 3.746 3.746 3.746 . 0 0 "[ ]" 1
386 1 37 ILE H 1 37 ILE MD 3.850 . 6.000 3.823 3.823 3.823 . 0 0 "[ ]" 1
387 1 37 ILE H 1 37 ILE QG 2.650 . 3.610 2.105 2.105 2.105 . 0 0 "[ ]" 1
388 1 37 ILE H 1 37 ILE MG 3.210 . 4.710 2.755 2.755 2.755 . 0 0 "[ ]" 1
389 1 37 ILE H 1 38 SER H 3.310 . 4.920 4.474 4.474 4.474 . 0 0 "[ ]" 1
390 1 37 ILE H 1 73 ILE H 2.850 . 4.000 2.893 2.893 2.893 . 0 0 "[ ]" 1
391 1 37 ILE HA 1 37 ILE MD 3.350 . 5.000 4.130 4.130 4.130 . 0 0 "[ ]" 1
392 1 37 ILE HA 1 37 ILE QG 3.350 . 5.000 3.332 3.332 3.332 . 0 0 "[ ]" 1
393 1 37 ILE HA 1 37 ILE MG 3.350 . 5.000 2.287 2.287 2.287 . 0 0 "[ ]" 1
394 1 37 ILE HA 1 38 SER H 2.310 . 2.930 2.638 2.638 2.638 . 0 0 "[ ]" 1
395 1 37 ILE HA 1 41 GLU QB 3.550 . 5.400 4.787 4.787 4.787 . 0 0 "[ ]" 1
396 1 37 ILE HA 1 41 GLU QG 3.750 . 5.800 5.196 5.196 5.196 . 0 0 "[ ]" 1
397 1 37 ILE HA 1 73 ILE H 3.850 . 6.000 4.849 4.849 4.849 . 0 0 "[ ]" 1
398 1 37 ILE HB 1 37 ILE MD 3.350 . 5.000 2.246 2.246 2.246 . 0 0 "[ ]" 1
399 1 37 ILE HB 1 38 SER H 2.650 . 3.600 2.318 2.318 2.318 . 0 0 "[ ]" 1
400 1 37 ILE HB 1 41 GLU QB 3.350 . 5.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
401 1 37 ILE MD 1 37 ILE MG 3.350 . 5.000 2.177 2.177 2.177 . 0 0 "[ ]" 1
402 1 37 ILE MD 1 38 SER H 3.850 . 6.000 3.668 3.668 3.668 . 0 0 "[ ]" 1
403 1 37 ILE MD 1 42 LEU H 3.850 . 6.000 3.602 3.602 3.602 . 0 0 "[ ]" 1
404 1 37 ILE MD 1 42 LEU HA 3.850 . 6.000 2.301 2.301 2.301 . 0 0 "[ ]" 1
405 1 37 ILE MD 1 45 VAL QG 3.350 . 5.000 2.171 2.171 2.171 . 0 0 "[ ]" 1
406 1 37 ILE QG 1 38 SER H 3.300 . 4.900 3.294 3.294 3.294 . 0 0 "[ ]" 1
407 1 37 ILE QG 1 41 GLU QG 3.350 . 5.000 3.974 3.974 3.974 . 0 0 "[ ]" 1
408 1 37 ILE QG 1 45 VAL QG 3.450 . 5.200 3.451 3.451 3.451 . 0 0 "[ ]" 1
409 1 37 ILE MG 1 38 SER H 3.430 . 5.160 3.789 3.789 3.789 . 0 0 "[ ]" 1
410 1 38 SER H 1 38 SER HA 2.710 . 3.710 2.878 2.878 2.878 . 0 0 "[ ]" 1
411 1 38 SER H 1 38 SER QB 2.460 . 3.210 2.214 2.214 2.214 . 0 0 "[ ]" 1
412 1 38 SER H 1 40 LYS H 3.460 . 5.210 5.295 5.295 5.295 0.085 1 0 "[ ]" 1
413 1 38 SER H 1 41 GLU H 3.480 . 5.260 4.208 4.208 4.208 . 0 0 "[ ]" 1
414 1 38 SER HA 1 39 THR H 2.360 . 3.020 2.262 2.262 2.262 . 0 0 "[ ]" 1
415 1 38 SER HA 1 39 THR MG 3.350 . 5.000 3.841 3.841 3.841 . 0 0 "[ ]" 1
416 1 38 SER HA 1 40 LYS H 3.240 . 4.780 3.915 3.915 3.915 . 0 0 "[ ]" 1
417 1 38 SER HA 1 72 THR H 3.560 . 5.410 5.400 5.400 5.400 . 0 0 "[ ]" 1
418 1 38 SER HA 1 72 THR HB 3.350 . 5.000 4.180 4.180 4.180 . 0 0 "[ ]" 1
419 1 38 SER HA 1 73 ILE H 3.550 . 5.400 4.347 4.347 4.347 . 0 0 "[ ]" 1
420 1 38 SER QB 1 39 THR H 2.980 . 4.260 3.137 3.137 3.137 . 0 0 "[ ]" 1
421 1 38 SER QB 1 41 GLU H 2.810 . 3.930 2.493 2.493 2.493 . 0 0 "[ ]" 1
422 1 39 THR H 1 39 THR HA 2.710 . 3.710 2.849 2.849 2.849 . 0 0 "[ ]" 1
423 1 39 THR H 1 39 THR HB 3.150 . 4.590 3.545 3.545 3.545 . 0 0 "[ ]" 1
424 1 39 THR H 1 39 THR MG 2.900 . 4.100 2.255 2.255 2.255 . 0 0 "[ ]" 1
425 1 39 THR H 1 40 LYS H 2.770 . 3.830 2.724 2.724 2.724 . 0 0 "[ ]" 1
426 1 39 THR H 1 40 LYS QB 3.490 . 5.280 4.512 4.512 4.512 . 0 0 "[ ]" 1
427 1 39 THR H 1 72 THR H 3.520 . 5.340 4.706 4.706 4.706 . 0 0 "[ ]" 1
428 1 39 THR H 1 73 ILE H 3.400 . 5.100 4.258 4.258 4.258 . 0 0 "[ ]" 1
429 1 39 THR HA 1 39 THR MG 3.350 . 5.000 2.318 2.318 2.318 . 0 0 "[ ]" 1
430 1 39 THR HA 1 40 LYS H 2.930 . 4.160 3.530 3.530 3.530 . 0 0 "[ ]" 1
431 1 39 THR HA 1 42 LEU H 3.480 . 5.260 3.486 3.486 3.486 . 0 0 "[ ]" 1
432 1 39 THR HA 1 42 LEU QB 3.350 . 5.000 2.565 2.565 2.565 . 0 0 "[ ]" 1
433 1 39 THR HA 1 73 ILE MG 3.350 . 5.000 3.472 3.472 3.472 . 0 0 "[ ]" 1
434 1 39 THR HB 1 40 LYS H 3.850 . 6.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
435 1 39 THR HB 1 62 ILE HA 3.350 . 5.000 2.953 2.953 2.953 . 0 0 "[ ]" 1
436 1 39 THR HB 1 62 ILE MG 3.350 . 5.000 2.168 2.168 2.168 . 0 0 "[ ]" 1
437 1 39 THR HB 1 66 ASP QB 3.350 . 5.000 3.986 3.986 3.986 . 0 0 "[ ]" 1
438 1 39 THR MG 1 40 LYS H 3.850 . 6.000 4.075 4.075 4.075 . 0 0 "[ ]" 1
439 1 39 THR MG 1 65 VAL QG 3.350 . 5.000 1.867 1.867 1.867 . 0 0 "[ ]" 1
440 1 39 THR MG 1 66 ASP QB 3.350 . 5.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
441 1 39 THR MG 1 71 GLY H 4.350 . 7.000 3.983 3.983 3.983 . 0 0 "[ ]" 1
442 1 39 THR MG 1 73 ILE HA 3.650 . 5.600 3.506 3.506 3.506 . 0 0 "[ ]" 1
443 1 40 LYS H 1 40 LYS HA 2.690 . 3.690 2.910 2.910 2.910 . 0 0 "[ ]" 1
444 1 40 LYS H 1 40 LYS QB 2.670 . 3.650 2.150 2.150 2.150 . 0 0 "[ ]" 1
445 1 40 LYS H 1 40 LYS QG 3.100 . 4.500 2.552 2.552 2.552 . 0 0 "[ ]" 1
446 1 40 LYS H 1 41 GLU H 2.690 . 3.680 2.510 2.510 2.510 . 0 0 "[ ]" 1
447 1 40 LYS H 1 42 LEU H 3.690 . 5.670 3.907 3.907 3.907 . 0 0 "[ ]" 1
448 1 40 LYS HA 1 40 LYS QD 3.350 . 5.000 4.021 4.021 4.021 . 0 0 "[ ]" 1
449 1 40 LYS HA 1 41 GLU H 2.890 . 4.080 3.540 3.540 3.540 . 0 0 "[ ]" 1
450 1 40 LYS HA 1 42 LEU H 3.380 . 5.050 3.715 3.715 3.715 . 0 0 "[ ]" 1
451 1 40 LYS HA 1 43 GLY H 3.330 . 4.960 4.549 4.549 4.549 . 0 0 "[ ]" 1
452 1 40 LYS HA 1 62 ILE MD 3.350 . 5.000 2.216 2.216 2.216 . 0 0 "[ ]" 1
453 1 41 GLU H 1 41 GLU HA 2.710 . 3.720 2.922 2.922 2.922 . 0 0 "[ ]" 1
454 1 41 GLU H 1 41 GLU QB 2.710 . 3.710 2.174 2.174 2.174 . 0 0 "[ ]" 1
455 1 41 GLU H 1 41 GLU QG 3.140 . 4.580 3.960 3.960 3.960 . 0 0 "[ ]" 1
456 1 41 GLU H 1 42 LEU H 2.520 . 3.350 2.598 2.598 2.598 . 0 0 "[ ]" 1
457 1 41 GLU HA 1 41 GLU QG 3.350 . 5.000 2.509 2.509 2.509 . 0 0 "[ ]" 1
458 1 41 GLU HA 1 42 LEU H 3.070 . 4.440 3.389 3.389 3.389 . 0 0 "[ ]" 1
459 1 41 GLU HA 1 44 THR H 3.160 . 4.620 3.122 3.122 3.122 . 0 0 "[ ]" 1
460 1 41 GLU HA 1 44 THR HB 3.350 . 5.000 3.167 3.167 3.167 . 0 0 "[ ]" 1
461 1 41 GLU HA 1 45 VAL H 3.790 . 5.880 4.597 4.597 4.597 . 0 0 "[ ]" 1
462 1 41 GLU QB 1 44 THR HB 3.350 . 5.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
463 1 41 GLU QG 1 44 THR MG 3.350 . 5.000 3.091 3.091 3.091 . 0 0 "[ ]" 1
464 1 42 LEU H 1 42 LEU HA 2.690 . 3.690 2.841 2.841 2.841 . 0 0 "[ ]" 1
465 1 42 LEU H 1 42 LEU QB 2.670 . 3.640 2.111 2.111 2.111 . 0 0 "[ ]" 1
466 1 42 LEU H 1 42 LEU HG 3.110 . 4.520 4.298 4.298 4.298 . 0 0 "[ ]" 1
467 1 42 LEU H 1 43 GLY H 3.110 . 4.520 2.742 2.742 2.742 . 0 0 "[ ]" 1
468 1 42 LEU H 1 44 THR H 3.650 . 5.590 4.248 4.248 4.248 . 0 0 "[ ]" 1
469 1 42 LEU HA 1 42 LEU QD 3.350 . 5.000 2.957 2.957 2.957 . 0 0 "[ ]" 1
470 1 42 LEU HA 1 42 LEU HG 3.350 . 5.000 2.233 2.233 2.233 . 0 0 "[ ]" 1
471 1 42 LEU HA 1 45 VAL H 2.770 . 3.850 3.633 3.633 3.633 . 0 0 "[ ]" 1
472 1 42 LEU HA 1 45 VAL HB 3.350 . 5.000 3.900 3.900 3.900 . 0 0 "[ ]" 1
473 1 42 LEU QB 1 43 GLY H 3.400 . 5.100 2.792 2.792 2.792 . 0 0 "[ ]" 1
474 1 42 LEU QB 1 45 VAL HB 4.100 . 6.500 5.855 5.855 5.855 . 0 0 "[ ]" 1
475 1 42 LEU QD 1 58 LEU HA 3.350 . 5.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
476 1 42 LEU QD 1 73 ILE HA 3.600 . 5.500 4.116 4.116 4.116 . 0 0 "[ ]" 1
477 1 42 LEU QD 1 73 ILE QG 3.350 . 5.000 1.988 1.988 1.988 . 0 0 "[ ]" 1
478 1 42 LEU QD 1 78 PHE HD1 3.350 . 5.000 1.871 1.871 1.871 . 0 0 "[ ]" 1
479 1 42 LEU QD 1 78 PHE HE1 3.350 . 5.000 2.671 2.671 2.671 . 0 0 "[ ]" 1
480 1 42 LEU QD 1 81 MET QB 3.350 . 5.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
481 1 42 LEU HG 1 46 MET QG 3.350 . 5.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
482 1 43 GLY H 1 44 THR H 2.980 . 4.250 2.477 2.477 2.477 . 0 0 "[ ]" 1
483 1 43 GLY H 1 58 LEU QD 3.750 . 5.790 3.098 3.098 3.098 . 0 0 "[ ]" 1
484 1 43 GLY H 1 58 LEU HG 3.950 . 6.200 6.194 6.194 6.194 . 0 0 "[ ]" 1
485 1 43 GLY QA 1 44 THR H 3.220 . 4.740 2.802 2.802 2.802 . 0 0 "[ ]" 1
486 1 43 GLY QA 1 46 MET H 3.230 . 4.750 3.569 3.569 3.569 . 0 0 "[ ]" 1
487 1 43 GLY QA 1 53 PRO QB 3.350 . 5.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
488 1 43 GLY QA 1 53 PRO QG 3.350 . 5.000 2.340 2.340 2.340 . 0 0 "[ ]" 1
489 1 43 GLY QA 1 58 LEU QD 3.350 . 5.000 1.815 1.815 1.815 . 0 0 "[ ]" 1
490 1 43 GLY QA 1 58 LEU HG 3.350 . 5.000 4.126 4.126 4.126 . 0 0 "[ ]" 1
491 1 44 THR H 1 44 THR HA 2.690 . 3.690 2.888 2.888 2.888 . 0 0 "[ ]" 1
492 1 44 THR H 1 44 THR HB 2.690 . 3.690 2.353 2.353 2.353 . 0 0 "[ ]" 1
493 1 44 THR H 1 44 THR MG 3.850 . 6.000 3.713 3.713 3.713 . 0 0 "[ ]" 1
494 1 44 THR H 1 45 VAL H 2.820 . 3.940 2.740 2.740 2.740 . 0 0 "[ ]" 1
495 1 44 THR H 1 46 MET H 3.460 . 5.210 4.137 4.137 4.137 . 0 0 "[ ]" 1
496 1 44 THR HA 1 44 THR MG 3.350 . 5.000 2.422 2.422 2.422 . 0 0 "[ ]" 1
497 1 44 THR HA 1 45 VAL H 2.950 . 4.200 3.610 3.610 3.610 . 0 0 "[ ]" 1
498 1 44 THR HA 1 45 VAL HA 3.350 . 5.000 4.858 4.858 4.858 . 0 0 "[ ]" 1
499 1 44 THR HA 1 47 ARG H 2.750 . 3.800 3.503 3.503 3.503 . 0 0 "[ ]" 1
500 1 44 THR HA 1 47 ARG QB 3.350 . 5.000 2.638 2.638 2.638 . 0 0 "[ ]" 1
501 1 44 THR HB 1 45 VAL H 2.540 . 3.390 2.412 2.412 2.412 . 0 0 "[ ]" 1
502 1 44 THR HB 1 45 VAL QG 3.750 . 5.800 3.934 3.934 3.934 . 0 0 "[ ]" 1
503 1 44 THR MG 1 45 VAL H 3.600 . 5.500 3.171 3.171 3.171 . 0 0 "[ ]" 1
504 1 44 THR MG 1 45 VAL HA 3.350 . 5.000 3.340 3.340 3.340 . 0 0 "[ ]" 1
505 1 44 THR MG 1 45 VAL HB 3.500 . 5.300 4.235 4.235 4.235 . 0 0 "[ ]" 1
506 1 44 THR MG 1 48 MET HA 3.700 . 5.700 4.775 4.775 4.775 . 0 0 "[ ]" 1
507 1 44 THR MG 1 48 MET QG 3.350 . 5.000 1.987 1.987 1.987 . 0 0 "[ ]" 1
508 1 45 VAL H 1 45 VAL HA 2.700 . 3.700 2.846 2.846 2.846 . 0 0 "[ ]" 1
509 1 45 VAL H 1 45 VAL HB 2.580 . 3.460 2.453 2.453 2.453 . 0 0 "[ ]" 1
510 1 45 VAL H 1 45 VAL QG 3.190 . 4.670 2.004 2.004 2.004 . 0 0 "[ ]" 1
511 1 45 VAL H 1 46 MET H 2.730 . 3.760 2.802 2.802 2.802 . 0 0 "[ ]" 1
512 1 45 VAL H 1 46 MET QB 3.810 . 5.920 4.552 4.552 4.552 . 0 0 "[ ]" 1
513 1 45 VAL H 1 46 MET QG 3.600 . 5.500 4.785 4.785 4.785 . 0 0 "[ ]" 1
514 1 45 VAL H 1 47 ARG H 3.480 . 5.260 4.302 4.302 4.302 . 0 0 "[ ]" 1
515 1 45 VAL H 1 48 MET H 3.270 . 4.840 4.638 4.638 4.638 . 0 0 "[ ]" 1
516 1 45 VAL HA 1 46 MET H 3.140 . 4.580 3.579 3.579 3.579 . 0 0 "[ ]" 1
517 1 45 VAL HA 1 48 MET H 3.110 . 4.520 3.504 3.504 3.504 . 0 0 "[ ]" 1
518 1 45 VAL HA 1 48 MET QB 3.350 . 5.000 2.337 2.337 2.337 . 0 0 "[ ]" 1
519 1 45 VAL HB 1 46 MET H 2.880 . 4.050 3.923 3.923 3.923 . 0 0 "[ ]" 1
520 1 45 VAL HB 1 78 PHE HE1 3.350 . 5.000 5.013 5.013 5.013 0.013 1 0 "[ ]" 1
521 1 45 VAL QG 1 46 MET H 3.630 . 5.560 1.963 1.963 1.963 . 0 0 "[ ]" 1
522 1 45 VAL QG 1 46 MET HA 3.350 . 5.000 3.074 3.074 3.074 . 0 0 "[ ]" 1
523 1 45 VAL QG 1 49 LEU HG 3.750 . 5.800 3.262 3.262 3.262 . 0 0 "[ ]" 1
524 1 45 VAL QG 1 78 PHE HE1 3.350 . 5.000 2.289 2.289 2.289 . 0 0 "[ ]" 1
525 1 46 MET H 1 46 MET HA 2.700 . 3.700 2.881 2.881 2.881 . 0 0 "[ ]" 1
526 1 46 MET H 1 46 MET QB 2.730 . 3.760 2.164 2.164 2.164 . 0 0 "[ ]" 1
527 1 46 MET H 1 46 MET QG 2.850 . 4.000 2.501 2.501 2.501 . 0 0 "[ ]" 1
528 1 46 MET H 1 47 ARG H 2.760 . 3.820 2.677 2.677 2.677 . 0 0 "[ ]" 1
529 1 46 MET H 1 48 MET H 3.850 . 6.000 4.085 4.085 4.085 . 0 0 "[ ]" 1
530 1 46 MET H 1 78 PHE QE 3.300 . 4.900 4.151 4.151 4.151 . 0 0 "[ ]" 1
531 1 46 MET HA 1 46 MET ME 3.350 . 5.000 4.172 4.172 4.172 . 0 0 "[ ]" 1
532 1 46 MET HA 1 47 ARG H 3.070 . 4.440 3.577 3.577 3.577 . 0 0 "[ ]" 1
533 1 46 MET HA 1 49 LEU H 3.020 . 4.340 3.804 3.804 3.804 . 0 0 "[ ]" 1
534 1 46 MET HA 1 51 GLN QG 3.650 . 5.600 4.711 4.711 4.711 . 0 0 "[ ]" 1
535 1 46 MET HA 1 78 PHE HE1 3.350 . 5.000 4.889 4.889 4.889 . 0 0 "[ ]" 1
536 1 46 MET HA 1 82 MET QG 3.500 . 5.300 4.216 4.216 4.216 . 0 0 "[ ]" 1
537 1 46 MET ME 1 53 PRO QB 3.350 . 5.000 1.905 1.905 1.905 . 0 0 "[ ]" 1
538 1 46 MET ME 1 78 PHE HE1 3.350 . 5.000 4.165 4.165 4.165 . 0 0 "[ ]" 1
539 1 46 MET ME 1 82 MET HA 3.350 . 5.000 3.389 3.389 3.389 . 0 0 "[ ]" 1
540 1 46 MET ME 1 85 GLN H 3.850 . 6.000 3.735 3.735 3.735 . 0 0 "[ ]" 1
541 1 46 MET ME 1 85 GLN QB 3.350 . 5.000 2.037 2.037 2.037 . 0 0 "[ ]" 1
542 1 46 MET ME 1 85 GLN QG 3.350 . 5.000 2.350 2.350 2.350 . 0 0 "[ ]" 1
543 1 46 MET QG 1 51 GLN QB 3.550 . 5.400 3.507 3.507 3.507 . 0 0 "[ ]" 1
544 1 47 ARG H 1 47 ARG HA 2.710 . 3.720 2.908 2.908 2.908 . 0 0 "[ ]" 1
545 1 47 ARG H 1 47 ARG QB 2.520 . 3.350 2.187 2.187 2.187 . 0 0 "[ ]" 1
546 1 47 ARG H 1 47 ARG QD 3.520 . 5.340 4.319 4.319 4.319 . 0 0 "[ ]" 1
547 1 47 ARG H 1 48 MET H 2.670 . 3.640 2.571 2.571 2.571 . 0 0 "[ ]" 1
548 1 47 ARG H 1 49 LEU H 3.630 . 5.560 4.041 4.041 4.041 . 0 0 "[ ]" 1
549 1 47 ARG H 1 51 GLN QB 3.900 . 6.100 4.577 4.577 4.577 . 0 0 "[ ]" 1
550 1 47 ARG HA 1 48 MET H 3.210 . 4.710 3.568 3.568 3.568 . 0 0 "[ ]" 1
551 1 47 ARG HA 1 49 LEU QD 4.550 . 7.400 5.508 5.508 5.508 . 0 0 "[ ]" 1
552 1 47 ARG HA 1 51 GLN H 2.830 . 3.950 3.577 3.577 3.577 . 0 0 "[ ]" 1
553 1 47 ARG QB 1 48 MET H 2.600 . 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 1
554 1 47 ARG HE 1 53 PRO QD 3.350 . 5.000 2.257 2.257 2.257 . 0 0 "[ ]" 1
555 1 47 ARG QG 1 53 PRO HA 4.100 . 6.500 5.580 5.580 5.580 . 0 0 "[ ]" 1
556 1 48 MET H 1 48 MET HA 2.700 . 3.700 2.856 2.856 2.856 . 0 0 "[ ]" 1
557 1 48 MET H 1 48 MET QG 3.150 . 4.600 2.627 2.627 2.627 . 0 0 "[ ]" 1
558 1 48 MET H 1 49 LEU H 2.660 . 3.620 2.697 2.697 2.697 . 0 0 "[ ]" 1
559 1 48 MET H 1 50 GLY H 3.160 . 4.620 4.270 4.270 4.270 . 0 0 "[ ]" 1
560 1 48 MET HA 1 48 MET QG 3.350 . 5.000 2.142 2.142 2.142 . 0 0 "[ ]" 1
561 1 48 MET HA 1 49 LEU H 3.070 . 4.440 3.537 3.537 3.537 . 0 0 "[ ]" 1
562 1 48 MET QB 1 49 LEU H 3.120 . 4.540 2.777 2.777 2.777 . 0 0 "[ ]" 1
563 1 49 LEU H 1 49 LEU HA 2.690 . 3.690 2.929 2.929 2.929 . 0 0 "[ ]" 1
564 1 49 LEU H 1 49 LEU QB 2.600 . 3.500 2.196 2.196 2.196 . 0 0 "[ ]" 1
565 1 49 LEU H 1 49 LEU HG 3.100 . 4.500 2.546 2.546 2.546 . 0 0 "[ ]" 1
566 1 49 LEU H 1 50 GLY H 2.750 . 3.810 2.490 2.490 2.490 . 0 0 "[ ]" 1
567 1 49 LEU H 1 51 GLN H 3.050 . 4.400 3.886 3.886 3.886 . 0 0 "[ ]" 1
568 1 49 LEU HA 1 49 LEU QD 3.350 . 5.000 2.321 2.321 2.321 . 0 0 "[ ]" 1
569 1 49 LEU HA 1 49 LEU HG 3.350 . 5.000 2.605 2.605 2.605 . 0 0 "[ ]" 1
570 1 49 LEU HA 1 50 GLY H 3.040 . 4.370 3.569 3.569 3.569 . 0 0 "[ ]" 1
571 1 49 LEU QB 1 50 GLY H 3.720 . 5.740 2.589 2.589 2.589 . 0 0 "[ ]" 1
572 1 49 LEU QB 1 51 GLN H 3.600 . 5.500 2.941 2.941 2.941 . 0 0 "[ ]" 1
573 1 49 LEU QD 1 78 PHE HE2 3.450 . 5.200 3.089 3.089 3.089 . 0 0 "[ ]" 1
574 1 49 LEU QD 1 82 MET HA 3.650 . 5.600 4.171 4.171 4.171 . 0 0 "[ ]" 1
575 1 49 LEU HG 1 50 GLY H 3.760 . 5.820 4.491 4.491 4.491 . 0 0 "[ ]" 1
576 1 50 GLY H 1 51 GLN H 2.670 . 3.630 1.975 1.975 1.975 . 0 0 "[ ]" 1
577 1 50 GLY H 1 51 GLN QG 3.850 . 6.000 4.480 4.480 4.480 . 0 0 "[ ]" 1
578 1 50 GLY QA 1 51 GLN H 2.960 . 4.210 2.950 2.950 2.950 . 0 0 "[ ]" 1
579 1 50 GLY QA 1 51 GLN QG 3.550 . 5.400 4.088 4.088 4.088 . 0 0 "[ ]" 1
580 1 51 GLN H 1 51 GLN HA 2.710 . 3.720 2.933 2.933 2.933 . 0 0 "[ ]" 1
581 1 51 GLN H 1 51 GLN QB 2.840 . 3.980 2.325 2.325 2.325 . 0 0 "[ ]" 1
582 1 51 GLN H 1 52 ASN H 3.390 . 5.080 4.587 4.587 4.587 . 0 0 "[ ]" 1
583 1 51 GLN HA 1 51 GLN QG 3.350 . 5.000 2.281 2.281 2.281 . 0 0 "[ ]" 1
584 1 51 GLN HA 1 52 ASN H 2.450 . 3.200 2.590 2.590 2.590 . 0 0 "[ ]" 1
585 1 51 GLN HA 1 86 MET QG 3.350 . 5.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
586 1 51 GLN QB 1 52 ASN H 2.980 . 4.260 2.225 2.225 2.225 . 0 0 "[ ]" 1
587 1 51 GLN QB 1 52 ASN QB 3.650 . 5.600 4.269 4.269 4.269 . 0 0 "[ ]" 1
588 1 51 GLN QB 1 89 ASP H 3.750 . 5.800 5.192 5.192 5.192 . 0 0 "[ ]" 1
589 1 51 GLN QG 1 52 ASN H 3.200 . 4.700 3.826 3.826 3.826 . 0 0 "[ ]" 1
590 1 51 GLN QG 1 85 GLN HA 3.950 . 6.200 4.867 4.867 4.867 . 0 0 "[ ]" 1
591 1 51 GLN QG 1 86 MET QB 3.350 . 5.000 3.277 3.277 3.277 . 0 0 "[ ]" 1
592 1 51 GLN QG 1 86 MET QG 3.350 . 5.000 1.800 1.800 1.800 . 0 0 "[ ]" 1
593 1 52 ASN H 1 52 ASN HA 2.710 . 3.730 2.970 2.970 2.970 . 0 0 "[ ]" 1
594 1 52 ASN H 1 52 ASN QB 2.730 . 3.760 2.670 2.670 2.670 . 0 0 "[ ]" 1
595 1 52 ASN H 1 53 PRO QB 3.650 . 5.600 4.912 4.912 4.912 . 0 0 "[ ]" 1
596 1 52 ASN H 1 53 PRO QD 2.980 . 4.250 3.169 3.169 3.169 . 0 0 "[ ]" 1
597 1 52 ASN HA 1 53 PRO QD 3.350 . 5.000 2.056 2.056 2.056 . 0 0 "[ ]" 1
598 1 52 ASN QB 1 53 PRO QD 3.350 . 5.000 3.859 3.859 3.859 . 0 0 "[ ]" 1
599 1 52 ASN QB 1 85 GLN QG 3.750 . 5.800 4.587 4.587 4.587 . 0 0 "[ ]" 1
600 1 53 PRO HA 1 53 PRO QG 3.350 . 5.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
601 1 53 PRO HA 1 54 THR H 2.310 . 2.910 2.239 2.239 2.239 . 0 0 "[ ]" 1
602 1 53 PRO HA 1 85 GLN QB 3.350 . 5.000 4.504 4.504 4.504 . 0 0 "[ ]" 1
603 1 53 PRO HA 1 85 GLN QG 3.350 . 5.000 3.492 3.492 3.492 . 0 0 "[ ]" 1
604 1 53 PRO QB 1 58 LEU HG 3.500 . 5.300 2.369 2.369 2.369 . 0 0 "[ ]" 1
605 1 53 PRO QG 1 54 THR H 3.550 . 5.400 4.725 4.725 4.725 . 0 0 "[ ]" 1
606 1 53 PRO QG 1 58 LEU QB 3.700 . 5.700 4.565 4.565 4.565 . 0 0 "[ ]" 1
607 1 53 PRO QG 1 58 LEU QD 3.350 . 5.000 1.852 1.852 1.852 . 0 0 "[ ]" 1
608 1 54 THR H 1 54 THR HA 2.700 . 3.700 2.875 2.875 2.875 . 0 0 "[ ]" 1
609 1 54 THR H 1 54 THR MG 2.820 . 3.940 2.109 2.109 2.109 . 0 0 "[ ]" 1
610 1 54 THR H 1 57 GLU H 3.100 . 4.500 4.119 4.119 4.119 . 0 0 "[ ]" 1
611 1 54 THR H 1 57 GLU QB 2.580 . 3.460 2.695 2.695 2.695 . 0 0 "[ ]" 1
612 1 54 THR H 1 57 GLU QG 2.850 . 4.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
613 1 54 THR H 1 58 LEU H 3.560 . 5.410 4.753 4.753 4.753 . 0 0 "[ ]" 1
614 1 54 THR HA 1 54 THR MG 3.350 . 5.000 2.286 2.286 2.286 . 0 0 "[ ]" 1
615 1 54 THR HA 1 55 LYS H 2.400 . 3.090 2.357 2.357 2.357 . 0 0 "[ ]" 1
616 1 54 THR HA 1 56 GLU H 3.450 . 5.200 4.321 4.321 4.321 . 0 0 "[ ]" 1
617 1 54 THR HA 1 57 GLU H 3.700 . 5.700 4.573 4.573 4.573 . 0 0 "[ ]" 1
618 1 54 THR HA 1 57 GLU QB 3.500 . 5.300 4.322 4.322 4.322 . 0 0 "[ ]" 1
619 1 54 THR HB 1 55 LYS H 2.460 . 3.210 2.877 2.877 2.877 . 0 0 "[ ]" 1
620 1 54 THR HB 1 56 GLU H 2.810 . 3.910 2.983 2.983 2.983 . 0 0 "[ ]" 1
621 1 54 THR HB 1 56 GLU QB 3.350 . 5.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
622 1 54 THR HB 1 57 GLU H 3.080 . 4.460 3.480 3.480 3.480 . 0 0 "[ ]" 1
623 1 54 THR MG 1 57 GLU H 3.600 . 5.500 4.305 4.305 4.305 . 0 0 "[ ]" 1
624 1 54 THR MG 1 57 GLU QG 3.350 . 5.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
625 1 55 LYS H 1 55 LYS HA 2.700 . 3.700 2.836 2.836 2.836 . 0 0 "[ ]" 1
626 1 55 LYS H 1 55 LYS QB 2.620 . 3.540 2.064 2.064 2.064 . 0 0 "[ ]" 1
627 1 55 LYS H 1 55 LYS QG 3.080 . 4.460 3.817 3.817 3.817 . 0 0 "[ ]" 1
628 1 55 LYS H 1 56 GLU H 2.820 . 3.940 2.817 2.817 2.817 . 0 0 "[ ]" 1
629 1 55 LYS HA 1 55 LYS QG 3.350 . 5.000 2.063 2.063 2.063 . 0 0 "[ ]" 1
630 1 55 LYS HA 1 56 GLU H 3.120 . 4.540 3.574 3.574 3.574 . 0 0 "[ ]" 1
631 1 55 LYS HA 1 58 LEU H 2.970 . 4.240 3.263 3.263 3.263 . 0 0 "[ ]" 1
632 1 55 LYS HA 1 58 LEU QD 3.350 . 5.000 2.030 2.030 2.030 . 0 0 "[ ]" 1
633 1 55 LYS QB 1 56 GLU H 2.730 . 3.760 2.595 2.595 2.595 . 0 0 "[ ]" 1
634 1 55 LYS QG 1 56 GLU H 3.250 . 4.790 4.096 4.096 4.096 . 0 0 "[ ]" 1
635 1 55 LYS QG 1 56 GLU HA 3.350 . 5.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
636 1 55 LYS QG 1 58 LEU H 3.770 . 5.840 4.710 4.710 4.710 . 0 0 "[ ]" 1
637 1 55 LYS QG 1 58 LEU QB 3.600 . 5.500 3.287 3.287 3.287 . 0 0 "[ ]" 1
638 1 55 LYS QG 1 58 LEU HG 3.450 . 5.200 4.688 4.688 4.688 . 0 0 "[ ]" 1
639 1 55 LYS QG 1 59 ASP H 3.310 . 4.910 4.264 4.264 4.264 . 0 0 "[ ]" 1
640 1 56 GLU H 1 56 GLU HA 2.700 . 3.700 2.867 2.867 2.867 . 0 0 "[ ]" 1
641 1 56 GLU H 1 56 GLU QB 2.650 . 3.600 2.100 2.100 2.100 . 0 0 "[ ]" 1
642 1 56 GLU H 1 56 GLU QG 3.080 . 4.460 3.887 3.887 3.887 . 0 0 "[ ]" 1
643 1 56 GLU H 1 57 GLU H 2.660 . 3.620 2.675 2.675 2.675 . 0 0 "[ ]" 1
644 1 56 GLU HA 1 56 GLU QG 3.350 . 5.000 2.109 2.109 2.109 . 0 0 "[ ]" 1
645 1 56 GLU HA 1 59 ASP H 2.810 . 3.910 3.909 3.909 3.909 . 0 0 "[ ]" 1
646 1 56 GLU HA 1 59 ASP QB 3.350 . 5.000 3.275 3.275 3.275 . 0 0 "[ ]" 1
647 1 56 GLU QB 1 57 GLU H 2.770 . 3.840 2.551 2.551 2.551 . 0 0 "[ ]" 1
648 1 56 GLU QB 1 57 GLU QG 3.450 . 5.200 3.710 3.710 3.710 . 0 0 "[ ]" 1
649 1 57 GLU H 1 57 GLU HA 2.700 . 3.700 2.908 2.908 2.908 . 0 0 "[ ]" 1
650 1 57 GLU H 1 57 GLU QB 2.440 . 3.190 2.000 2.000 2.000 . 0 0 "[ ]" 1
651 1 57 GLU H 1 57 GLU QG 2.790 . 3.870 3.074 3.074 3.074 . 0 0 "[ ]" 1
652 1 57 GLU H 1 58 LEU H 2.650 . 3.600 2.560 2.560 2.560 . 0 0 "[ ]" 1
653 1 57 GLU HA 1 57 GLU QG 3.350 . 5.000 2.173 2.173 2.173 . 0 0 "[ ]" 1
654 1 57 GLU HA 1 60 ALA H 3.040 . 4.380 3.528 3.528 3.528 . 0 0 "[ ]" 1
655 1 57 GLU QB 1 58 LEU H 2.820 . 3.940 2.734 2.734 2.734 . 0 0 "[ ]" 1
656 1 57 GLU QB 1 58 LEU QB 3.950 . 6.200 4.455 4.455 4.455 . 0 0 "[ ]" 1
657 1 58 LEU H 1 58 LEU HA 2.700 . 3.700 2.857 2.857 2.857 . 0 0 "[ ]" 1
658 1 58 LEU H 1 58 LEU QB 2.660 . 3.620 2.296 2.296 2.296 . 0 0 "[ ]" 1
659 1 58 LEU H 1 58 LEU QD 3.470 . 5.240 3.074 3.074 3.074 . 0 0 "[ ]" 1
660 1 58 LEU H 1 58 LEU HG 2.950 . 4.200 2.227 2.227 2.227 . 0 0 "[ ]" 1
661 1 58 LEU H 1 60 ALA H 3.650 . 5.600 4.115 4.115 4.115 . 0 0 "[ ]" 1
662 1 58 LEU HA 1 58 LEU QD 3.350 . 5.000 1.993 1.993 1.993 . 0 0 "[ ]" 1
663 1 58 LEU HA 1 58 LEU HG 3.350 . 5.000 2.937 2.937 2.937 . 0 0 "[ ]" 1
664 1 58 LEU HA 1 61 ILE H 2.640 . 3.580 3.615 3.615 3.615 0.035 1 0 "[ ]" 1
665 1 58 LEU HA 1 61 ILE HB 3.350 . 5.000 2.775 2.775 2.775 . 0 0 "[ ]" 1
666 1 58 LEU HA 1 61 ILE MD 3.350 . 5.000 3.016 3.016 3.016 . 0 0 "[ ]" 1
667 1 58 LEU QB 1 59 ASP H 2.890 . 4.080 2.324 2.324 2.324 . 0 0 "[ ]" 1
668 1 58 LEU QD 1 61 ILE HB 3.450 . 5.200 3.787 3.787 3.787 . 0 0 "[ ]" 1
669 1 58 LEU HG 1 59 ASP H 3.080 . 4.460 4.357 4.357 4.357 . 0 0 "[ ]" 1
670 1 59 ASP H 1 59 ASP HA 2.690 . 3.690 2.870 2.870 2.870 . 0 0 "[ ]" 1
671 1 59 ASP H 1 59 ASP QB 2.730 . 3.750 2.178 2.178 2.178 . 0 0 "[ ]" 1
672 1 59 ASP H 1 60 ALA H 2.730 . 3.760 2.718 2.718 2.718 . 0 0 "[ ]" 1
673 1 59 ASP H 1 61 ILE H 3.620 . 5.540 4.181 4.181 4.181 . 0 0 "[ ]" 1
674 1 59 ASP H 1 62 ILE H 3.420 . 5.140 4.657 4.657 4.657 . 0 0 "[ ]" 1
675 1 59 ASP HA 1 60 ALA H 3.170 . 4.630 3.575 3.575 3.575 . 0 0 "[ ]" 1
676 1 59 ASP HA 1 62 ILE H 2.960 . 4.220 3.614 3.614 3.614 . 0 0 "[ ]" 1
677 1 59 ASP HA 1 62 ILE HB 3.350 . 5.000 2.594 2.594 2.594 . 0 0 "[ ]" 1
678 1 59 ASP HA 1 62 ILE MD 3.350 . 5.000 2.514 2.514 2.514 . 0 0 "[ ]" 1
679 1 59 ASP HA 1 63 GLU H 3.440 . 5.170 3.880 3.880 3.880 . 0 0 "[ ]" 1
680 1 59 ASP HA 1 63 GLU QB 3.350 . 5.000 4.471 4.471 4.471 . 0 0 "[ ]" 1
681 1 59 ASP QB 1 60 ALA H 2.960 . 4.210 2.516 2.516 2.516 . 0 0 "[ ]" 1
682 1 60 ALA H 1 60 ALA HA 2.690 . 3.690 2.889 2.889 2.889 . 0 0 "[ ]" 1
683 1 60 ALA H 1 60 ALA MB 2.790 . 3.880 2.104 2.104 2.104 . 0 0 "[ ]" 1
684 1 60 ALA H 1 61 ILE H 2.650 . 3.610 2.635 2.635 2.635 . 0 0 "[ ]" 1
685 1 60 ALA H 1 61 ILE HB 3.380 . 5.060 4.597 4.597 4.597 . 0 0 "[ ]" 1
686 1 60 ALA H 1 62 ILE H 3.830 . 5.960 4.111 4.111 4.111 . 0 0 "[ ]" 1
687 1 60 ALA HA 1 61 ILE HB 3.750 . 5.800 5.712 5.712 5.712 . 0 0 "[ ]" 1
688 1 60 ALA HA 1 63 GLU H 3.050 . 4.400 4.041 4.041 4.041 . 0 0 "[ ]" 1
689 1 60 ALA HA 1 63 GLU QB 3.350 . 5.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
690 1 60 ALA HA 1 64 GLU H 3.850 . 6.000 4.556 4.556 4.556 . 0 0 "[ ]" 1
691 1 60 ALA MB 1 61 ILE H 3.040 . 4.370 2.574 2.574 2.574 . 0 0 "[ ]" 1
692 1 61 ILE H 1 61 ILE HA 2.710 . 3.710 2.922 2.922 2.922 . 0 0 "[ ]" 1
693 1 61 ILE H 1 61 ILE HB 2.450 . 3.200 2.216 2.216 2.216 . 0 0 "[ ]" 1
694 1 61 ILE H 1 61 ILE MD 3.410 . 5.120 3.372 3.372 3.372 . 0 0 "[ ]" 1
695 1 61 ILE H 1 61 ILE QG 2.890 . 4.080 2.508 2.508 2.508 . 0 0 "[ ]" 1
696 1 61 ILE H 1 61 ILE MG 3.390 . 5.080 3.669 3.669 3.669 . 0 0 "[ ]" 1
697 1 61 ILE H 1 62 ILE H 2.680 . 3.660 2.532 2.532 2.532 . 0 0 "[ ]" 1
698 1 61 ILE HA 1 61 ILE MD 3.350 . 5.000 3.804 3.804 3.804 . 0 0 "[ ]" 1
699 1 61 ILE HA 1 61 ILE QG 3.350 . 5.000 2.328 2.328 2.328 . 0 0 "[ ]" 1
700 1 61 ILE HA 1 61 ILE MG 3.350 . 5.000 2.475 2.475 2.475 . 0 0 "[ ]" 1
701 1 61 ILE HA 1 62 ILE H 3.160 . 4.620 3.578 3.578 3.578 . 0 0 "[ ]" 1
702 1 61 ILE HA 1 64 GLU H 3.150 . 4.590 3.454 3.454 3.454 . 0 0 "[ ]" 1
703 1 61 ILE HA 1 65 VAL H 3.650 . 5.600 4.259 4.259 4.259 . 0 0 "[ ]" 1
704 1 61 ILE HB 1 61 ILE MD 3.350 . 5.000 2.186 2.186 2.186 . 0 0 "[ ]" 1
705 1 61 ILE HB 1 62 ILE H 2.640 . 3.580 2.704 2.704 2.704 . 0 0 "[ ]" 1
706 1 61 ILE QG 1 81 MET QG 3.350 . 5.000 3.306 3.306 3.306 . 0 0 "[ ]" 1
707 1 61 ILE MG 1 64 GLU QG 3.350 . 5.000 3.734 3.734 3.734 . 0 0 "[ ]" 1
708 1 61 ILE MG 1 65 VAL H 3.600 . 5.500 3.943 3.943 3.943 . 0 0 "[ ]" 1
709 1 62 ILE H 1 62 ILE HA 2.710 . 3.720 2.859 2.859 2.859 . 0 0 "[ ]" 1
710 1 62 ILE H 1 62 ILE HB 2.330 . 2.960 2.253 2.253 2.253 . 0 0 "[ ]" 1
711 1 62 ILE H 1 62 ILE MD 3.070 . 4.440 3.333 3.333 3.333 . 0 0 "[ ]" 1
712 1 62 ILE H 1 63 GLU H 2.770 . 3.830 2.834 2.834 2.834 . 0 0 "[ ]" 1
713 1 62 ILE H 1 64 GLU H 3.570 . 5.440 4.005 4.005 4.005 . 0 0 "[ ]" 1
714 1 62 ILE HA 1 62 ILE MG 3.350 . 5.000 2.482 2.482 2.482 . 0 0 "[ ]" 1
715 1 62 ILE HA 1 63 GLU H 3.310 . 4.920 3.597 3.597 3.597 . 0 0 "[ ]" 1
716 1 62 ILE HA 1 64 GLU H 3.730 . 5.750 4.225 4.225 4.225 . 0 0 "[ ]" 1
717 1 62 ILE HA 1 65 VAL H 3.080 . 4.460 3.400 3.400 3.400 . 0 0 "[ ]" 1
718 1 62 ILE HA 1 65 VAL QG 3.350 . 5.000 1.851 1.851 1.851 . 0 0 "[ ]" 1
719 1 62 ILE HA 1 66 ASP H 3.270 . 4.830 4.092 4.092 4.092 . 0 0 "[ ]" 1
720 1 62 ILE HB 1 63 GLU H 2.740 . 3.780 2.438 2.438 2.438 . 0 0 "[ ]" 1
721 1 62 ILE HB 1 64 GLU H 3.640 . 5.580 4.793 4.793 4.793 . 0 0 "[ ]" 1
722 1 62 ILE HB 1 65 VAL H 3.700 . 5.700 5.530 5.530 5.530 . 0 0 "[ ]" 1
723 1 62 ILE HB 1 65 VAL QG 3.700 . 5.700 4.255 4.255 4.255 . 0 0 "[ ]" 1
724 1 62 ILE HB 1 66 ASP H 3.750 . 5.800 5.786 5.786 5.786 . 0 0 "[ ]" 1
725 1 62 ILE QG 1 63 GLU H 3.700 . 5.700 4.166 4.166 4.166 . 0 0 "[ ]" 1
726 1 62 ILE MG 1 63 GLU H 3.540 . 5.380 2.905 2.905 2.905 . 0 0 "[ ]" 1
727 1 62 ILE MG 1 63 GLU HA 3.350 . 5.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
728 1 62 ILE MG 1 63 GLU QB 3.350 . 5.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
729 1 62 ILE MG 1 66 ASP HA 3.450 . 5.200 4.385 4.385 4.385 . 0 0 "[ ]" 1
730 1 63 GLU H 1 63 GLU HA 2.690 . 3.680 2.841 2.841 2.841 . 0 0 "[ ]" 1
731 1 63 GLU H 1 63 GLU QB 2.580 . 3.460 2.088 2.088 2.088 . 0 0 "[ ]" 1
732 1 63 GLU H 1 63 GLU QG 3.120 . 4.540 3.857 3.857 3.857 . 0 0 "[ ]" 1
733 1 63 GLU H 1 64 GLU H 2.750 . 3.790 2.751 2.751 2.751 . 0 0 "[ ]" 1
734 1 63 GLU H 1 65 VAL H 3.500 . 5.290 4.343 4.343 4.343 . 0 0 "[ ]" 1
735 1 63 GLU H 1 66 ASP H 3.630 . 5.560 4.567 4.567 4.567 . 0 0 "[ ]" 1
736 1 63 GLU HA 1 63 GLU QG 3.350 . 5.000 2.232 2.232 2.232 . 0 0 "[ ]" 1
737 1 63 GLU HA 1 64 GLU H 3.140 . 4.580 3.550 3.550 3.550 . 0 0 "[ ]" 1
738 1 63 GLU HA 1 66 ASP H 3.600 . 5.500 3.286 3.286 3.286 . 0 0 "[ ]" 1
739 1 63 GLU HA 1 66 ASP QB 3.350 . 5.000 2.266 2.266 2.266 . 0 0 "[ ]" 1
740 1 63 GLU QB 1 66 ASP QB 3.400 . 5.100 4.102 4.102 4.102 . 0 0 "[ ]" 1
741 1 63 GLU QG 1 66 ASP QB 3.350 . 5.000 3.517 3.517 3.517 . 0 0 "[ ]" 1
742 1 64 GLU H 1 64 GLU HA 2.690 . 3.690 2.890 2.890 2.890 . 0 0 "[ ]" 1
743 1 64 GLU H 1 64 GLU QB 2.460 . 3.210 1.958 1.958 1.958 . 0 0 "[ ]" 1
744 1 64 GLU H 1 64 GLU QG 3.120 . 4.540 3.631 3.631 3.631 . 0 0 "[ ]" 1
745 1 64 GLU H 1 65 VAL H 2.690 . 3.670 2.641 2.641 2.641 . 0 0 "[ ]" 1
746 1 64 GLU H 1 65 VAL QG 3.830 . 5.960 3.516 3.516 3.516 . 0 0 "[ ]" 1
747 1 64 GLU H 1 66 ASP H 3.370 . 5.040 3.721 3.721 3.721 . 0 0 "[ ]" 1
748 1 64 GLU HA 1 64 GLU QG 3.350 . 5.000 2.896 2.896 2.896 . 0 0 "[ ]" 1
749 1 64 GLU HA 1 65 VAL H 3.020 . 4.340 3.582 3.582 3.582 . 0 0 "[ ]" 1
750 1 64 GLU QB 1 65 VAL H 2.750 . 3.800 2.821 2.821 2.821 . 0 0 "[ ]" 1
751 1 64 GLU QG 1 65 VAL H 3.600 . 5.500 2.540 2.540 2.540 . 0 0 "[ ]" 1
752 1 64 GLU QG 1 65 VAL HA 3.350 . 5.000 3.068 3.068 3.068 . 0 0 "[ ]" 1
753 1 64 GLU QG 1 65 VAL HB 3.350 . 5.000 4.312 4.312 4.312 . 0 0 "[ ]" 1
754 1 65 VAL H 1 65 VAL HA 2.710 . 3.720 2.953 2.953 2.953 . 0 0 "[ ]" 1
755 1 65 VAL H 1 65 VAL HB 2.690 . 3.680 3.611 3.611 3.611 . 0 0 "[ ]" 1
756 1 65 VAL H 1 65 VAL QG 2.760 . 3.820 1.891 1.891 1.891 . 0 0 "[ ]" 1
757 1 65 VAL H 1 66 ASP QB 3.600 . 5.500 3.977 3.977 3.977 . 0 0 "[ ]" 1
758 1 65 VAL H 1 67 GLU H 4.220 . 6.750 4.167 4.167 4.167 . 0 0 "[ ]" 1
759 1 65 VAL HA 1 66 ASP H 2.850 . 4.000 3.442 3.442 3.442 . 0 0 "[ ]" 1
760 1 65 VAL HA 1 67 GLU H 4.200 . 6.700 3.713 3.713 3.713 . 0 0 "[ ]" 1
761 1 65 VAL HB 1 74 ASP H 3.300 . 4.900 4.820 4.820 4.820 . 0 0 "[ ]" 1
762 1 65 VAL HB 1 77 GLU QG 3.350 . 5.000 4.309 4.309 4.309 . 0 0 "[ ]" 1
763 1 65 VAL QG 1 66 ASP H 3.080 . 4.460 2.433 2.433 2.433 . 0 0 "[ ]" 1
764 1 65 VAL QG 1 81 MET QG 3.350 . 5.000 3.338 3.338 3.338 . 0 0 "[ ]" 1
765 1 65 VAL MG2 1 67 GLU H 4.100 . 6.500 4.368 4.368 4.368 . 0 0 "[ ]" 1
766 1 66 ASP H 1 66 ASP HA 2.710 . 3.730 2.927 2.927 2.927 . 0 0 "[ ]" 1
767 1 66 ASP H 1 66 ASP QB 2.580 . 3.470 2.095 2.095 2.095 . 0 0 "[ ]" 1
768 1 66 ASP H 1 67 GLU H 3.600 . 5.500 2.469 2.469 2.469 . 0 0 "[ ]" 1
769 1 66 ASP H 1 67 GLU HA 3.800 . 5.900 5.052 5.052 5.052 . 0 0 "[ ]" 1
770 1 66 ASP H 1 68 ASP H 3.900 . 6.100 4.382 4.382 4.382 . 0 0 "[ ]" 1
771 1 66 ASP HA 1 67 GLU H 2.670 . 3.640 3.454 3.454 3.454 . 0 0 "[ ]" 1
772 1 66 ASP HA 1 68 ASP H 3.750 . 5.800 3.478 3.478 3.478 . 0 0 "[ ]" 1
773 1 66 ASP HA 1 69 GLY H 4.200 . 6.700 4.062 4.062 4.062 . 0 0 "[ ]" 1
774 1 66 ASP HA 1 70 SER H 4.350 . 7.000 5.525 5.525 5.525 . 0 0 "[ ]" 1
775 1 66 ASP HA 1 72 THR H 4.200 . 6.700 4.366 4.366 4.366 . 0 0 "[ ]" 1
776 1 66 ASP QB 1 67 GLU H 3.350 . 5.000 3.093 3.093 3.093 . 0 0 "[ ]" 1
777 1 66 ASP QB 1 68 ASP HA 4.800 . 7.900 7.045 7.045 7.045 . 0 0 "[ ]" 1
778 1 66 ASP QB 1 69 GLY H 4.050 . 6.400 5.224 5.224 5.224 . 0 0 "[ ]" 1
779 1 67 GLU H 1 67 GLU HA 2.690 . 3.680 2.872 2.872 2.872 . 0 0 "[ ]" 1
780 1 67 GLU H 1 67 GLU QB 2.670 . 3.640 2.048 2.048 2.048 . 0 0 "[ ]" 1
781 1 67 GLU H 1 67 GLU QG 3.170 . 4.630 3.780 3.780 3.780 . 0 0 "[ ]" 1
782 1 67 GLU H 1 68 ASP H 3.100 . 4.500 2.744 2.744 2.744 . 0 0 "[ ]" 1
783 1 67 GLU H 1 68 ASP HA 3.720 . 5.740 5.233 5.233 5.233 . 0 0 "[ ]" 1
784 1 67 GLU H 1 68 ASP QB 4.250 . 6.800 4.547 4.547 4.547 . 0 0 "[ ]" 1
785 1 67 GLU H 1 69 GLY H 3.500 . 5.300 4.813 4.813 4.813 . 0 0 "[ ]" 1
786 1 67 GLU HA 1 67 GLU QG 3.350 . 5.000 2.255 2.255 2.255 . 0 0 "[ ]" 1
787 1 67 GLU HA 1 68 ASP H 2.920 . 4.130 3.437 3.437 3.437 . 0 0 "[ ]" 1
788 1 67 GLU HA 1 69 GLY H 3.480 . 5.260 4.127 4.127 4.127 . 0 0 "[ ]" 1
789 1 67 GLU QG 1 68 ASP H 3.480 . 5.250 4.453 4.453 4.453 . 0 0 "[ ]" 1
790 1 67 GLU QG 1 69 GLY H 4.050 . 6.400 5.388 5.388 5.388 . 0 0 "[ ]" 1
791 1 68 ASP H 1 68 ASP HA 2.690 . 3.690 2.865 2.865 2.865 . 0 0 "[ ]" 1
792 1 68 ASP H 1 68 ASP QB 2.830 . 3.950 2.122 2.122 2.122 . 0 0 "[ ]" 1
793 1 68 ASP H 1 69 GLY H 2.950 . 4.200 2.721 2.721 2.721 . 0 0 "[ ]" 1
794 1 68 ASP H 1 69 GLY QA 3.800 . 5.900 4.615 4.615 4.615 . 0 0 "[ ]" 1
795 1 68 ASP H 1 70 SER H 3.400 . 5.090 4.681 4.681 4.681 . 0 0 "[ ]" 1
796 1 68 ASP HA 1 69 GLY H 3.040 . 4.380 3.582 3.582 3.582 . 0 0 "[ ]" 1
797 1 68 ASP HA 1 70 SER H 3.790 . 5.880 4.674 4.674 4.674 . 0 0 "[ ]" 1
798 1 68 ASP QB 1 69 GLY H 3.850 . 6.000 2.628 2.628 2.628 . 0 0 "[ ]" 1
799 1 68 ASP QB 1 70 SER H 3.950 . 6.200 2.774 2.774 2.774 . 0 0 "[ ]" 1
800 1 69 GLY H 1 69 GLY QA 2.580 . 3.470 2.405 2.405 2.405 . 0 0 "[ ]" 1
801 1 69 GLY H 1 70 SER H 2.730 . 3.760 2.636 2.636 2.636 . 0 0 "[ ]" 1
802 1 69 GLY H 1 70 SER HA 3.520 . 5.340 4.988 4.988 4.988 . 0 0 "[ ]" 1
803 1 69 GLY H 1 70 SER QB 3.660 . 5.620 4.407 4.407 4.407 . 0 0 "[ ]" 1
804 1 69 GLY H 1 71 GLY H 3.560 . 5.420 3.036 3.036 3.036 . 0 0 "[ ]" 1
805 1 69 GLY QA 1 70 SER H 2.750 . 3.810 2.820 2.820 2.820 . 0 0 "[ ]" 1
806 1 70 SER H 1 70 SER HA 2.700 . 3.700 2.945 2.945 2.945 . 0 0 "[ ]" 1
807 1 70 SER H 1 70 SER QB 2.870 . 4.040 2.169 2.169 2.169 . 0 0 "[ ]" 1
808 1 70 SER H 1 71 GLY H 2.830 . 3.950 2.429 2.429 2.429 . 0 0 "[ ]" 1
809 1 70 SER H 1 71 GLY QA 3.500 . 5.300 4.378 4.378 4.378 . 0 0 "[ ]" 1
810 1 70 SER H 1 72 THR H 4.100 . 6.500 4.024 4.024 4.024 . 0 0 "[ ]" 1
811 1 70 SER HA 1 71 GLY H 3.030 . 4.360 3.553 3.553 3.553 . 0 0 "[ ]" 1
812 1 70 SER HA 1 72 THR H 4.150 . 6.600 4.804 4.804 4.804 . 0 0 "[ ]" 1
813 1 70 SER QB 1 71 GLY H 3.700 . 5.700 2.730 2.730 2.730 . 0 0 "[ ]" 1
814 1 71 GLY H 1 72 THR H 3.250 . 4.800 2.299 2.299 2.299 . 0 0 "[ ]" 1
815 1 71 GLY QA 1 72 THR H 3.330 . 4.960 2.874 2.874 2.874 . 0 0 "[ ]" 1
816 1 72 THR H 1 72 THR HB 3.440 . 5.170 3.724 3.724 3.724 . 0 0 "[ ]" 1
817 1 72 THR H 1 72 THR MG 3.590 . 5.480 2.984 2.984 2.984 . 0 0 "[ ]" 1
818 1 72 THR H 1 73 ILE H 3.850 . 6.000 4.497 4.497 4.497 . 0 0 "[ ]" 1
819 1 72 THR H 1 73 ILE HA 3.650 . 5.590 4.835 4.835 4.835 . 0 0 "[ ]" 1
820 1 72 THR HB 1 73 ILE H 2.580 . 3.460 2.554 2.554 2.554 . 0 0 "[ ]" 1
821 1 73 ILE H 1 73 ILE HA 2.730 . 3.750 3.000 3.000 3.000 . 0 0 "[ ]" 1
822 1 73 ILE H 1 73 ILE QG 3.150 . 4.600 4.078 4.078 4.078 . 0 0 "[ ]" 1
823 1 73 ILE H 1 73 ILE MG 2.910 . 4.120 1.923 1.923 1.923 . 0 0 "[ ]" 1
824 1 73 ILE H 1 74 ASP H 3.350 . 5.000 4.454 4.454 4.454 . 0 0 "[ ]" 1
825 1 73 ILE HA 1 73 ILE QG 3.350 . 5.000 2.632 2.632 2.632 . 0 0 "[ ]" 1
826 1 73 ILE HA 1 73 ILE MG 3.350 . 5.000 3.215 3.215 3.215 . 0 0 "[ ]" 1
827 1 73 ILE HA 1 74 ASP H 2.290 . 2.880 2.215 2.215 2.215 . 0 0 "[ ]" 1
828 1 73 ILE HB 1 78 PHE QB 3.350 . 5.000 4.100 4.100 4.100 . 0 0 "[ ]" 1
829 1 73 ILE MD 1 81 MET QG 3.350 . 5.000 3.646 3.646 3.646 . 0 0 "[ ]" 1
830 1 73 ILE QG 1 74 ASP H 2.700 . 3.700 2.737 2.737 2.737 . 0 0 "[ ]" 1
831 1 73 ILE QG 1 77 GLU QB 3.350 . 5.000 3.303 3.303 3.303 . 0 0 "[ ]" 1
832 1 73 ILE QG 1 78 PHE H 3.010 . 4.320 2.926 2.926 2.926 . 0 0 "[ ]" 1
833 1 73 ILE QG 1 78 PHE QB 3.350 . 5.000 1.720 1.720 1.720 . 0 0 "[ ]" 1
834 1 73 ILE MG 1 74 ASP H 3.410 . 5.120 3.940 3.940 3.940 . 0 0 "[ ]" 1
835 1 74 ASP H 1 74 ASP HA 2.720 . 3.740 2.932 2.932 2.932 . 0 0 "[ ]" 1
836 1 74 ASP H 1 74 ASP QB 2.940 . 4.170 2.223 2.223 2.223 . 0 0 "[ ]" 1
837 1 74 ASP H 1 75 PHE H 3.350 . 5.000 4.684 4.684 4.684 . 0 0 "[ ]" 1
838 1 74 ASP H 1 77 GLU H 3.120 . 4.540 4.271 4.271 4.271 . 0 0 "[ ]" 1
839 1 74 ASP H 1 77 GLU HA 3.750 . 5.800 5.847 5.847 5.847 0.047 1 0 "[ ]" 1
840 1 74 ASP H 1 77 GLU QG 3.280 . 4.860 4.283 4.283 4.283 . 0 0 "[ ]" 1
841 1 74 ASP H 1 78 PHE H 3.350 . 5.000 3.958 3.958 3.958 . 0 0 "[ ]" 1
842 1 74 ASP HA 1 75 PHE H 2.500 . 3.290 2.363 2.363 2.363 . 0 0 "[ ]" 1
843 1 74 ASP HA 1 76 GLU H 3.560 . 5.420 4.507 4.507 4.507 . 0 0 "[ ]" 1
844 1 74 ASP QB 1 75 PHE H 2.750 . 3.800 2.876 2.876 2.876 . 0 0 "[ ]" 1
845 1 74 ASP QB 1 76 GLU H 3.300 . 4.900 3.065 3.065 3.065 . 0 0 "[ ]" 1
846 1 74 ASP QB 1 77 GLU H 3.520 . 5.340 2.544 2.544 2.544 . 0 0 "[ ]" 1
847 1 75 PHE H 1 75 PHE HA 2.710 . 3.720 2.856 2.856 2.856 . 0 0 "[ ]" 1
848 1 75 PHE H 1 75 PHE QB 2.560 . 3.420 2.110 2.110 2.110 . 0 0 "[ ]" 1
849 1 75 PHE H 1 75 PHE QD 3.200 . 4.700 3.986 3.986 3.986 . 0 0 "[ ]" 1
850 1 75 PHE H 1 76 GLU H 2.790 . 3.880 2.832 2.832 2.832 . 0 0 "[ ]" 1
851 1 75 PHE H 1 78 PHE H 3.310 . 4.910 4.527 4.527 4.527 . 0 0 "[ ]" 1
852 1 75 PHE HA 1 75 PHE HD2 3.350 . 5.000 3.054 3.054 3.054 . 0 0 "[ ]" 1
853 1 75 PHE HA 1 76 GLU H 3.310 . 4.910 3.592 3.592 3.592 . 0 0 "[ ]" 1
854 1 75 PHE HA 1 78 PHE H 2.990 . 4.280 3.512 3.512 3.512 . 0 0 "[ ]" 1
855 1 75 PHE HA 1 78 PHE HD2 3.350 . 5.000 3.002 3.002 3.002 . 0 0 "[ ]" 1
856 1 75 PHE QB 1 76 GLU H 2.900 . 4.100 2.362 2.362 2.362 . 0 0 "[ ]" 1
857 1 75 PHE QB 1 76 GLU QB 3.350 . 5.000 3.867 3.867 3.867 . 0 0 "[ ]" 1
858 1 75 PHE QB 1 76 GLU QG 3.350 . 5.000 3.984 3.984 3.984 . 0 0 "[ ]" 1
859 1 75 PHE QD 1 76 GLU H 3.220 . 4.740 3.733 3.733 3.733 . 0 0 "[ ]" 1
860 1 75 PHE HD2 1 78 PHE HD2 3.350 . 5.000 4.340 4.340 4.340 . 0 0 "[ ]" 1
861 1 75 PHE HE1 1 79 LEU QD 3.350 . 5.000 2.580 2.580 2.580 . 0 0 "[ ]" 1
862 1 76 GLU H 1 76 GLU HA 2.700 . 3.700 2.847 2.847 2.847 . 0 0 "[ ]" 1
863 1 76 GLU H 1 76 GLU QB 2.660 . 3.620 2.435 2.435 2.435 . 0 0 "[ ]" 1
864 1 76 GLU H 1 76 GLU QG 2.500 . 3.290 1.925 1.925 1.925 . 0 0 "[ ]" 1
865 1 76 GLU H 1 77 GLU H 2.570 . 3.440 2.819 2.819 2.819 . 0 0 "[ ]" 1
866 1 76 GLU H 1 78 PHE H 3.480 . 5.260 4.110 4.110 4.110 . 0 0 "[ ]" 1
867 1 76 GLU HA 1 76 GLU QG 3.350 . 5.000 3.326 3.326 3.326 . 0 0 "[ ]" 1
868 1 76 GLU HA 1 77 GLU H 3.060 . 4.420 3.590 3.590 3.590 . 0 0 "[ ]" 1
869 1 76 GLU HA 1 79 LEU H 2.980 . 4.260 3.811 3.811 3.811 . 0 0 "[ ]" 1
870 1 76 GLU HA 1 79 LEU QD 3.350 . 5.000 1.836 1.836 1.836 . 0 0 "[ ]" 1
871 1 76 GLU HA 1 79 LEU HG 3.430 . 5.160 4.131 4.131 4.131 . 0 0 "[ ]" 1
872 1 76 GLU QB 1 77 GLU H 2.850 . 4.000 3.348 3.348 3.348 . 0 0 "[ ]" 1
873 1 76 GLU QB 1 79 LEU QD 3.650 . 5.600 3.408 3.408 3.408 . 0 0 "[ ]" 1
874 1 77 GLU H 1 77 GLU HA 2.710 . 3.710 2.927 2.927 2.927 . 0 0 "[ ]" 1
875 1 77 GLU H 1 77 GLU QB 2.630 . 3.570 2.203 2.203 2.203 . 0 0 "[ ]" 1
876 1 77 GLU H 1 77 GLU QG 3.100 . 4.500 3.945 3.945 3.945 . 0 0 "[ ]" 1
877 1 77 GLU H 1 78 PHE H 2.670 . 3.650 2.477 2.477 2.477 . 0 0 "[ ]" 1
878 1 77 GLU HA 1 77 GLU QG 3.350 . 5.000 2.283 2.283 2.283 . 0 0 "[ ]" 1
879 1 77 GLU HA 1 80 VAL H 2.950 . 4.200 3.803 3.803 3.803 . 0 0 "[ ]" 1
880 1 77 GLU HA 1 80 VAL QG 3.350 . 5.000 2.573 2.573 2.573 . 0 0 "[ ]" 1
881 1 77 GLU QB 1 78 PHE H 2.900 . 4.100 2.578 2.578 2.578 . 0 0 "[ ]" 1
882 1 77 GLU QG 1 78 PHE H 3.530 . 5.360 3.763 3.763 3.763 . 0 0 "[ ]" 1
883 1 77 GLU QG 1 78 PHE HA 3.450 . 5.200 3.906 3.906 3.906 . 0 0 "[ ]" 1
884 1 78 PHE H 1 78 PHE HA 2.700 . 3.700 2.866 2.866 2.866 . 0 0 "[ ]" 1
885 1 78 PHE H 1 78 PHE QB 2.660 . 3.620 2.133 2.133 2.133 . 0 0 "[ ]" 1
886 1 78 PHE H 1 78 PHE QD 3.150 . 4.600 4.098 4.098 4.098 . 0 0 "[ ]" 1
887 1 78 PHE H 1 79 LEU H 2.770 . 3.840 2.655 2.655 2.655 . 0 0 "[ ]" 1
888 1 78 PHE H 1 80 VAL H 3.650 . 5.600 4.377 4.377 4.377 . 0 0 "[ ]" 1
889 1 78 PHE H 1 81 MET H 3.850 . 6.000 5.301 5.301 5.301 . 0 0 "[ ]" 1
890 1 78 PHE HA 1 78 PHE HD1 3.350 . 5.000 2.530 2.530 2.530 . 0 0 "[ ]" 1
891 1 78 PHE HA 1 79 LEU HA 3.350 . 5.000 4.956 4.956 4.956 . 0 0 "[ ]" 1
892 1 78 PHE QB 1 79 LEU H 3.080 . 4.460 2.813 2.813 2.813 . 0 0 "[ ]" 1
893 1 78 PHE QB 1 79 LEU QB 3.800 . 5.900 4.510 4.510 4.510 . 0 0 "[ ]" 1
894 1 78 PHE QB 1 81 MET QB 3.450 . 5.200 4.148 4.148 4.148 . 0 0 "[ ]" 1
895 1 78 PHE QD 1 79 LEU H 2.930 . 4.160 3.755 3.755 3.755 . 0 0 "[ ]" 1
896 1 78 PHE HD1 1 81 MET QB 3.350 . 5.000 2.783 2.783 2.783 . 0 0 "[ ]" 1
897 1 79 LEU H 1 79 LEU HA 2.710 . 3.730 2.822 2.822 2.822 . 0 0 "[ ]" 1
898 1 79 LEU H 1 79 LEU QD 3.350 . 5.000 3.057 3.057 3.057 . 0 0 "[ ]" 1
899 1 79 LEU H 1 79 LEU HG 2.900 . 4.100 2.887 2.887 2.887 . 0 0 "[ ]" 1
900 1 79 LEU H 1 80 VAL H 2.810 . 3.910 2.815 2.815 2.815 . 0 0 "[ ]" 1
901 1 79 LEU HA 1 79 LEU QD 3.350 . 5.000 2.501 2.501 2.501 . 0 0 "[ ]" 1
902 1 79 LEU HA 1 79 LEU HG 3.350 . 5.000 2.241 2.241 2.241 . 0 0 "[ ]" 1
903 1 79 LEU HA 1 80 VAL H 3.190 . 4.680 3.557 3.557 3.557 . 0 0 "[ ]" 1
904 1 79 LEU HA 1 82 MET H 3.040 . 4.380 3.189 3.189 3.189 . 0 0 "[ ]" 1
905 1 79 LEU HA 1 82 MET QB 3.350 . 5.000 2.463 2.463 2.463 . 0 0 "[ ]" 1
906 1 79 LEU HA 1 83 VAL H 3.410 . 5.120 3.994 3.994 3.994 . 0 0 "[ ]" 1
907 1 79 LEU QB 1 80 VAL H 3.350 . 5.000 2.864 2.864 2.864 . 0 0 "[ ]" 1
908 1 79 LEU HG 1 80 VAL H 3.450 . 5.200 4.851 4.851 4.851 . 0 0 "[ ]" 1
909 1 80 VAL H 1 80 VAL HA 2.710 . 3.710 2.898 2.898 2.898 . 0 0 "[ ]" 1
910 1 80 VAL H 1 80 VAL HB 3.350 . 5.000 3.591 3.591 3.591 . 0 0 "[ ]" 1
911 1 80 VAL H 1 80 VAL QG 3.120 . 4.540 1.912 1.912 1.912 . 0 0 "[ ]" 1
912 1 80 VAL H 1 81 MET H 2.840 . 3.980 2.567 2.567 2.567 . 0 0 "[ ]" 1
913 1 80 VAL H 1 82 MET H 3.380 . 5.050 3.932 3.932 3.932 . 0 0 "[ ]" 1
914 1 80 VAL H 1 84 ARG H 3.750 . 5.800 5.811 5.811 5.811 0.011 1 0 "[ ]" 1
915 1 80 VAL HA 1 82 MET H 3.640 . 5.580 4.210 4.210 4.210 . 0 0 "[ ]" 1
916 1 80 VAL HA 1 83 VAL H 3.180 . 4.660 3.623 3.623 3.623 . 0 0 "[ ]" 1
917 1 80 VAL HA 1 83 VAL HB 3.450 . 5.200 3.061 3.061 3.061 . 0 0 "[ ]" 1
918 1 80 VAL HA 1 83 VAL QG 3.350 . 5.000 3.652 3.652 3.652 . 0 0 "[ ]" 1
919 1 80 VAL HA 1 84 ARG H 3.200 . 4.700 3.541 3.541 3.541 . 0 0 "[ ]" 1
920 1 80 VAL HB 1 81 MET H 2.840 . 3.980 3.977 3.977 3.977 . 0 0 "[ ]" 1
921 1 80 VAL HB 1 84 ARG HE 3.350 . 5.000 3.827 3.827 3.827 . 0 0 "[ ]" 1
922 1 80 VAL QG 1 81 MET H 3.760 . 5.820 1.860 1.860 1.860 . 0 0 "[ ]" 1
923 1 80 VAL QG 1 81 MET HA 3.350 . 5.000 3.188 3.188 3.188 . 0 0 "[ ]" 1
924 1 81 MET H 1 81 MET HA 2.700 . 3.700 2.899 2.899 2.899 . 0 0 "[ ]" 1
925 1 81 MET H 1 81 MET QB 2.750 . 3.810 1.999 1.999 1.999 . 0 0 "[ ]" 1
926 1 81 MET H 1 81 MET QG 3.080 . 4.460 3.586 3.586 3.586 . 0 0 "[ ]" 1
927 1 81 MET H 1 82 MET H 2.820 . 3.940 2.524 2.524 2.524 . 0 0 "[ ]" 1
928 1 81 MET H 1 82 MET QG 3.020 . 4.340 3.875 3.875 3.875 . 0 0 "[ ]" 1
929 1 81 MET HA 1 81 MET QG 3.350 . 5.000 2.172 2.172 2.172 . 0 0 "[ ]" 1
930 1 81 MET HA 1 82 MET H 3.020 . 4.330 3.539 3.539 3.539 . 0 0 "[ ]" 1
931 1 81 MET HA 1 84 ARG H 3.250 . 4.800 4.062 4.062 4.062 . 0 0 "[ ]" 1
932 1 81 MET HA 1 84 ARG QB 3.350 . 5.000 2.865 2.865 2.865 . 0 0 "[ ]" 1
933 1 81 MET QB 1 82 MET H 2.840 . 3.980 2.773 2.773 2.773 . 0 0 "[ ]" 1
934 1 82 MET H 1 82 MET HA 2.710 . 3.720 2.893 2.893 2.893 . 0 0 "[ ]" 1
935 1 82 MET H 1 82 MET QB 2.610 . 3.530 2.333 2.333 2.333 . 0 0 "[ ]" 1
936 1 82 MET HA 1 82 MET QG 3.350 . 5.000 2.350 2.350 2.350 . 0 0 "[ ]" 1
937 1 82 MET HA 1 83 VAL H 3.190 . 4.670 3.595 3.595 3.595 . 0 0 "[ ]" 1
938 1 82 MET HA 1 85 GLN H 3.170 . 4.640 4.073 4.073 4.073 . 0 0 "[ ]" 1
939 1 82 MET HA 1 85 GLN QB 3.350 . 5.000 3.277 3.277 3.277 . 0 0 "[ ]" 1
940 1 82 MET QB 1 83 VAL H 2.790 . 3.890 2.219 2.219 2.219 . 0 0 "[ ]" 1
941 1 82 MET QB 1 83 VAL QG 3.400 . 5.100 2.878 2.878 2.878 . 0 0 "[ ]" 1
942 1 83 VAL H 1 83 VAL HA 2.710 . 3.710 2.891 2.891 2.891 . 0 0 "[ ]" 1
943 1 83 VAL H 1 83 VAL HB 2.650 . 3.600 2.276 2.276 2.276 . 0 0 "[ ]" 1
944 1 83 VAL H 1 83 VAL QG 3.230 . 4.760 2.274 2.274 2.274 . 0 0 "[ ]" 1
945 1 83 VAL H 1 84 ARG H 2.790 . 3.880 2.730 2.730 2.730 . 0 0 "[ ]" 1
946 1 83 VAL H 1 84 ARG QG 3.200 . 4.700 4.225 4.225 4.225 . 0 0 "[ ]" 1
947 1 83 VAL HA 1 84 ARG H 3.420 . 5.140 3.595 3.595 3.595 . 0 0 "[ ]" 1
948 1 83 VAL HA 1 85 GLN H 3.770 . 5.830 4.225 4.225 4.225 . 0 0 "[ ]" 1
949 1 83 VAL HA 1 86 MET H 2.940 . 4.180 3.239 3.239 3.239 . 0 0 "[ ]" 1
950 1 83 VAL HA 1 87 LYS H 2.840 . 3.980 3.790 3.790 3.790 . 0 0 "[ ]" 1
951 1 83 VAL HB 1 84 ARG H 2.850 . 4.000 2.427 2.427 2.427 . 0 0 "[ ]" 1
952 1 83 VAL HB 1 84 ARG HA 3.700 . 5.700 4.433 4.433 4.433 . 0 0 "[ ]" 1
953 1 83 VAL QG 1 84 ARG H 3.850 . 6.000 2.935 2.935 2.935 . 0 0 "[ ]" 1
954 1 83 VAL QG 1 84 ARG QG 3.350 . 5.000 3.106 3.106 3.106 . 0 0 "[ ]" 1
955 1 83 VAL QG 1 87 LYS QB 3.800 . 5.900 3.942 3.942 3.942 . 0 0 "[ ]" 1
956 1 83 VAL QG 1 87 LYS QG 3.500 . 5.300 2.280 2.280 2.280 . 0 0 "[ ]" 1
957 1 84 ARG H 1 84 ARG HA 2.700 . 3.700 2.835 2.835 2.835 . 0 0 "[ ]" 1
958 1 84 ARG H 1 84 ARG QB 2.590 . 3.480 2.348 2.348 2.348 . 0 0 "[ ]" 1
959 1 84 ARG H 1 84 ARG QG 3.250 . 4.790 2.026 2.026 2.026 . 0 0 "[ ]" 1
960 1 84 ARG H 1 87 LYS H 3.250 . 4.800 4.667 4.667 4.667 . 0 0 "[ ]" 1
961 1 84 ARG HA 1 84 ARG QG 3.350 . 5.000 2.645 2.645 2.645 . 0 0 "[ ]" 1
962 1 84 ARG HA 1 87 LYS H 2.800 . 3.900 3.632 3.632 3.632 . 0 0 "[ ]" 1
963 1 84 ARG HA 1 87 LYS QB 3.350 . 5.000 2.942 2.942 2.942 . 0 0 "[ ]" 1
964 1 84 ARG QB 1 85 GLN H 2.820 . 3.940 2.720 2.720 2.720 . 0 0 "[ ]" 1
965 1 84 ARG QG 1 85 GLN H 3.850 . 6.000 4.130 4.130 4.130 . 0 0 "[ ]" 1
966 1 84 ARG QG 1 87 LYS QG 3.350 . 5.000 4.008 4.008 4.008 . 0 0 "[ ]" 1
967 1 85 GLN H 1 85 GLN HA 2.690 . 3.690 2.950 2.950 2.950 . 0 0 "[ ]" 1
968 1 85 GLN H 1 85 GLN QB 2.620 . 3.540 2.232 2.232 2.232 . 0 0 "[ ]" 1
969 1 85 GLN H 1 85 GLN QG 3.100 . 4.500 4.004 4.004 4.004 . 0 0 "[ ]" 1
970 1 85 GLN H 1 86 MET H 2.710 . 3.710 2.375 2.375 2.375 . 0 0 "[ ]" 1
971 1 85 GLN H 1 87 LYS H 2.790 . 3.880 3.780 3.780 3.780 . 0 0 "[ ]" 1
972 1 85 GLN HA 1 85 GLN QG 3.350 . 5.000 2.885 2.885 2.885 . 0 0 "[ ]" 1
973 1 85 GLN HA 1 86 MET H 3.050 . 4.400 3.566 3.566 3.566 . 0 0 "[ ]" 1
974 1 85 GLN HA 1 88 GLU H 2.950 . 4.200 4.067 4.067 4.067 . 0 0 "[ ]" 1
975 1 85 GLN QB 1 86 MET H 2.580 . 3.470 2.643 2.643 2.643 . 0 0 "[ ]" 1
976 1 85 GLN QB 1 86 MET QG 3.450 . 5.200 3.897 3.897 3.897 . 0 0 "[ ]" 1
977 1 85 GLN QG 1 86 MET H 3.470 . 5.240 3.740 3.740 3.740 . 0 0 "[ ]" 1
978 1 85 GLN QG 1 86 MET QG 3.550 . 5.400 4.106 4.106 4.106 . 0 0 "[ ]" 1
979 1 86 MET H 1 86 MET HA 2.690 . 3.690 2.918 2.918 2.918 . 0 0 "[ ]" 1
980 1 86 MET H 1 86 MET QB 2.920 . 4.140 2.031 2.031 2.031 . 0 0 "[ ]" 1
981 1 86 MET H 1 86 MET QG 2.810 . 3.920 3.073 3.073 3.073 . 0 0 "[ ]" 1
982 1 86 MET H 1 87 LYS H 2.790 . 3.870 2.530 2.530 2.530 . 0 0 "[ ]" 1
983 1 86 MET HA 1 86 MET QG 3.350 . 5.000 2.010 2.010 2.010 . 0 0 "[ ]" 1
984 1 86 MET HA 1 89 ASP H 3.270 . 4.840 2.742 2.742 2.742 . 0 0 "[ ]" 1
985 1 86 MET QB 1 87 LYS H 2.580 . 3.460 2.970 2.970 2.970 . 0 0 "[ ]" 1
986 1 86 MET QB 1 89 ASP H 3.350 . 5.000 4.506 4.506 4.506 . 0 0 "[ ]" 1
987 1 86 MET QB 1 89 ASP QB 3.350 . 5.000 3.699 3.699 3.699 . 0 0 "[ ]" 1
988 1 86 MET QB 1 90 ALA H 2.950 . 4.200 3.774 3.774 3.774 . 0 0 "[ ]" 1
989 1 86 MET QB 1 90 ALA MB 3.350 . 5.000 2.846 2.846 2.846 . 0 0 "[ ]" 1
990 1 86 MET QG 1 89 ASP HA 3.850 . 6.000 5.388 5.388 5.388 . 0 0 "[ ]" 1
991 1 86 MET QG 1 90 ALA MB 3.350 . 5.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
992 1 87 LYS H 1 87 LYS HA 2.760 . 3.820 2.818 2.818 2.818 . 0 0 "[ ]" 1
993 1 87 LYS H 1 87 LYS QB 2.320 . 2.940 2.174 2.174 2.174 . 0 0 "[ ]" 1
994 1 87 LYS H 1 87 LYS QG 2.460 . 3.230 2.550 2.550 2.550 . 0 0 "[ ]" 1
995 1 87 LYS H 1 88 GLU H 2.900 . 4.090 2.750 2.750 2.750 . 0 0 "[ ]" 1
996 1 87 LYS HA 1 87 LYS QG 3.350 . 5.000 2.236 2.236 2.236 . 0 0 "[ ]" 1
997 1 87 LYS HA 1 88 GLU H 2.600 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
998 1 87 LYS QB 1 88 GLU H 3.350 . 5.000 2.720 2.720 2.720 . 0 0 "[ ]" 1
999 1 87 LYS QB 1 88 GLU HA 3.350 . 5.000 4.127 4.127 4.127 . 0 0 "[ ]" 1
1000 1 87 LYS QB 1 89 ASP H 3.800 . 5.900 4.625 4.625 4.625 . 0 0 "[ ]" 1
1001 1 87 LYS QB 1 90 ALA MB 4.100 . 6.500 4.858 4.858 4.858 . 0 0 "[ ]" 1
1002 1 87 LYS QG 1 88 GLU H 3.350 . 5.000 4.277 4.277 4.277 . 0 0 "[ ]" 1
1003 1 87 LYS QG 1 90 ALA MB 4.200 . 6.700 4.680 4.680 4.680 . 0 0 "[ ]" 1
1004 1 88 GLU H 1 88 GLU HA 2.710 . 3.710 2.978 2.978 2.978 . 0 0 "[ ]" 1
1005 1 88 GLU H 1 88 GLU QB 2.690 . 3.680 2.210 2.210 2.210 . 0 0 "[ ]" 1
1006 1 88 GLU H 1 88 GLU QG 3.100 . 4.500 2.698 2.698 2.698 . 0 0 "[ ]" 1
1007 1 88 GLU H 1 89 ASP H 2.900 . 4.100 2.210 2.210 2.210 . 0 0 "[ ]" 1
1008 1 88 GLU HA 1 88 GLU QG 3.350 . 5.000 2.351 2.351 2.351 . 0 0 "[ ]" 1
1009 1 88 GLU HA 1 90 ALA H 3.300 . 4.900 4.309 4.309 4.309 . 0 0 "[ ]" 1
1010 1 88 GLU QB 1 90 ALA H 3.400 . 5.100 4.604 4.604 4.604 . 0 0 "[ ]" 1
1011 1 89 ASP H 1 90 ALA H 2.730 . 3.750 2.605 2.605 2.605 . 0 0 "[ ]" 1
1012 1 89 ASP HA 1 90 ALA H 3.350 . 5.000 3.537 3.537 3.537 . 0 0 "[ ]" 1
1013 1 89 ASP QB 1 90 ALA H 3.210 . 4.720 2.659 2.659 2.659 . 0 0 "[ ]" 1
1014 1 90 ALA H 1 90 ALA HA 2.690 . 3.690 2.922 2.922 2.922 . 0 0 "[ ]" 1
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