NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397550 |
1szv   |
6181 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1szv
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 1122
_Distance_constraint_stats_list.Viol_count 106
_Distance_constraint_stats_list.Viol_total 6.134
_Distance_constraint_stats_list.Viol_max 0.309
_Distance_constraint_stats_list.Viol_rms 0.0261
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0579
_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 6 MET 0.035 0.019 1 0 "[ ]"
1 7 LEU 0.000 0.000 . 0 "[ ]"
1 8 ARG 0.000 0.000 . 0 "[ ]"
1 9 PRO 0.020 0.020 1 0 "[ ]"
1 10 LYS 0.130 0.076 1 0 "[ ]"
1 11 ALA 0.000 0.000 . 0 "[ ]"
1 12 LEU 0.031 0.020 1 0 "[ ]"
1 13 THR 0.050 0.036 1 0 "[ ]"
1 14 GLN 0.049 0.049 1 0 "[ ]"
1 15 VAL 0.062 0.028 1 0 "[ ]"
1 16 LEU 0.151 0.048 1 0 "[ ]"
1 17 SER 0.041 0.041 1 0 "[ ]"
1 18 GLN 0.159 0.112 1 0 "[ ]"
1 19 ALA 0.153 0.112 1 0 "[ ]"
1 20 ASN 0.058 0.058 1 0 "[ ]"
1 21 THR 0.025 0.025 1 0 "[ ]"
1 22 GLY 0.000 0.000 . 0 "[ ]"
1 23 GLY 0.050 0.025 1 0 "[ ]"
1 24 VAL 0.190 0.058 1 0 "[ ]"
1 25 GLN 0.000 0.000 . 0 "[ ]"
1 26 SER 0.000 0.000 . 0 "[ ]"
1 27 THR 0.058 0.038 1 0 "[ ]"
1 28 LEU 0.048 0.048 1 0 "[ ]"
1 29 LEU 0.266 0.117 1 0 "[ ]"
1 30 LEU 0.102 0.035 1 0 "[ ]"
1 31 ASN 0.000 0.000 . 0 "[ ]"
1 32 ASN 0.000 0.000 . 0 "[ ]"
1 33 GLU 0.000 0.000 . 0 "[ ]"
1 34 GLY 0.036 0.036 1 0 "[ ]"
1 35 SER 0.003 0.003 1 0 "[ ]"
1 36 LEU 0.322 0.309 1 0 "[ ]"
1 37 LEU 0.083 0.037 1 0 "[ ]"
1 38 ALA 0.433 0.309 1 0 "[ ]"
1 39 TYR 0.000 0.000 . 0 "[ ]"
1 40 SER 0.276 0.255 1 0 "[ ]"
1 41 GLY 0.255 0.255 1 0 "[ ]"
1 42 TYR 0.055 0.055 1 0 "[ ]"
1 43 GLY 0.000 0.000 . 0 "[ ]"
1 44 ASP 0.000 0.000 . 0 "[ ]"
1 45 THR 0.167 0.167 1 0 "[ ]"
1 46 ASP 0.255 0.152 1 0 "[ ]"
1 47 ALA 0.000 0.000 . 0 "[ ]"
1 48 ARG 0.522 0.152 1 0 "[ ]"
1 49 VAL 0.000 0.000 . 0 "[ ]"
1 50 THR 0.188 0.100 1 0 "[ ]"
1 51 ALA 0.000 0.000 . 0 "[ ]"
1 52 ALA 0.000 0.000 . 0 "[ ]"
1 53 ILE 0.263 0.190 1 0 "[ ]"
1 54 ALA 0.080 0.064 1 0 "[ ]"
1 55 SER 0.000 0.000 . 0 "[ ]"
1 56 ASN 0.000 0.000 . 0 "[ ]"
1 57 ILE 0.190 0.190 1 0 "[ ]"
1 58 TRP 0.022 0.022 1 0 "[ ]"
1 59 ALA 0.065 0.048 1 0 "[ ]"
1 60 ALA 0.050 0.028 1 0 "[ ]"
1 61 TYR 0.538 0.228 1 0 "[ ]"
1 62 ASP 0.077 0.048 1 0 "[ ]"
1 63 ARG 0.025 0.025 1 0 "[ ]"
1 64 ASN 0.000 0.000 . 0 "[ ]"
1 65 GLY 0.000 0.000 . 0 "[ ]"
1 66 ASN 0.079 0.079 1 0 "[ ]"
1 67 GLN 0.079 0.079 1 0 "[ ]"
1 68 ALA 0.000 0.000 . 0 "[ ]"
1 69 PHE 0.022 0.022 1 0 "[ ]"
1 70 ASN 0.007 0.007 1 0 "[ ]"
1 71 GLU 0.426 0.228 1 0 "[ ]"
1 72 ASP 0.007 0.007 1 0 "[ ]"
1 73 SER 0.015 0.009 1 0 "[ ]"
1 74 LEU 0.228 0.222 1 0 "[ ]"
1 75 LYS 0.268 0.222 1 0 "[ ]"
1 76 PHE 0.000 0.000 . 0 "[ ]"
1 77 ILE 0.090 0.067 1 0 "[ ]"
1 78 LEU 0.042 0.024 1 0 "[ ]"
1 79 MET 0.224 0.190 1 0 "[ ]"
1 80 ASP 0.035 0.035 1 0 "[ ]"
1 82 MET 0.027 0.014 1 0 "[ ]"
1 84 GLY 0.013 0.013 1 0 "[ ]"
1 85 ARG 0.050 0.050 1 0 "[ ]"
1 86 VAL 0.048 0.034 1 0 "[ ]"
1 87 ALA 0.000 0.000 . 0 "[ ]"
1 88 ILE 0.362 0.228 1 0 "[ ]"
1 89 THR 0.015 0.015 1 0 "[ ]"
1 90 ARG 0.294 0.127 1 0 "[ ]"
1 91 VAL 0.061 0.061 1 0 "[ ]"
1 92 ALA 0.000 0.000 . 0 "[ ]"
1 94 LEU 0.054 0.035 1 0 "[ ]"
1 95 LEU 0.250 0.127 1 0 "[ ]"
1 96 LEU 0.208 0.117 1 0 "[ ]"
1 97 CYS 0.000 0.000 . 0 "[ ]"
1 98 MET 0.014 0.014 1 0 "[ ]"
1 99 TYR 0.010 0.010 1 0 "[ ]"
1 100 ALA 0.120 0.057 1 0 "[ ]"
1 101 LYS 0.052 0.052 1 0 "[ ]"
1 102 GLU 0.033 0.033 1 0 "[ ]"
1 103 THR 0.208 0.208 1 0 "[ ]"
1 104 VAL 0.048 0.048 1 0 "[ ]"
1 105 GLY 0.051 0.051 1 0 "[ ]"
1 106 PHE 0.000 0.000 . 0 "[ ]"
1 107 GLY 0.000 0.000 . 0 "[ ]"
1 108 MET 0.000 0.000 . 0 "[ ]"
1 109 LEU 0.000 0.000 . 0 "[ ]"
1 110 LYS 0.019 0.019 1 0 "[ ]"
1 111 ALA 0.000 0.000 . 0 "[ ]"
1 112 LYS 0.000 0.000 . 0 "[ ]"
1 113 ALA 0.007 0.007 1 0 "[ ]"
1 114 GLN 0.056 0.015 1 0 "[ ]"
1 115 ALA 0.014 0.014 1 0 "[ ]"
1 116 LEU 0.007 0.007 1 0 "[ ]"
1 117 VAL 0.048 0.021 1 0 "[ ]"
1 118 GLN 0.000 0.000 . 0 "[ ]"
1 119 TYR 0.008 0.008 1 0 "[ ]"
1 120 LEU 0.294 0.175 1 0 "[ ]"
1 121 GLU 0.078 0.070 1 0 "[ ]"
1 123 PRO 0.070 0.070 1 0 "[ ]"
1 124 LEU 0.451 0.205 1 0 "[ ]"
1 125 THR 0.079 0.079 1 0 "[ ]"
1 126 GLN 0.002 0.002 1 0 "[ ]"
1 127 VAL 0.000 0.000 . 0 "[ ]"
1 128 ALA 0.232 0.205 1 0 "[ ]"
1 129 ALA 0.011 0.011 1 0 "[ ]"
1 130 SER 0.036 0.021 1 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 6 MET HA 1 6 MET HB3 2.000 . 2.800 2.533 2.533 2.533 . 0 0 "[ ]" 1
2 1 6 MET HA 1 6 MET HG2 2.300 . 3.400 3.249 3.249 3.249 . 0 0 "[ ]" 1
3 1 6 MET HA 1 6 MET HG3 2.800 . 4.400 2.281 2.281 2.281 . 0 0 "[ ]" 1
4 1 6 MET HB3 1 6 MET HG2 2.000 . 2.800 2.246 2.246 2.246 . 0 0 "[ ]" 1
5 1 6 MET HB3 1 6 MET HG3 2.000 . 2.800 2.816 2.816 2.816 0.016 1 0 "[ ]" 1
6 1 6 MET HB3 1 120 LEU MD2 2.300 . 3.400 3.419 3.419 3.419 0.019 1 0 "[ ]" 1
7 1 6 MET ME 1 6 MET HG3 2.700 . 4.200 2.164 2.164 2.164 . 0 0 "[ ]" 1
8 1 6 MET ME 1 12 LEU HB2 3.100 . 5.000 3.661 3.661 3.661 . 0 0 "[ ]" 1
9 1 6 MET HG2 1 11 ALA HA 2.300 . 3.400 3.362 3.362 3.362 . 0 0 "[ ]" 1
10 1 6 MET HG2 1 12 LEU HB2 3.100 . 5.000 2.390 2.390 2.390 . 0 0 "[ ]" 1
11 1 6 MET HG2 1 12 LEU MD1 2.700 . 4.200 4.196 4.196 4.196 . 0 0 "[ ]" 1
12 1 6 MET HG3 1 120 LEU HB2 3.500 . 5.500 4.558 4.558 4.558 . 0 0 "[ ]" 1
13 1 7 LEU H 1 7 LEU HB2 2.000 . 2.800 2.393 2.393 2.393 . 0 0 "[ ]" 1
14 1 7 LEU H 1 8 ARG H 3.300 . 5.500 1.930 1.930 1.930 . 0 0 "[ ]" 1
15 1 8 ARG H 1 9 PRO HD3 3.200 . 5.200 2.874 2.874 2.874 . 0 0 "[ ]" 1
16 1 8 ARG HA 1 8 ARG HB2 2.600 . 4.000 2.954 2.954 2.954 . 0 0 "[ ]" 1
17 1 8 ARG HA 1 8 ARG HD2 2.400 . 3.600 2.997 2.997 2.997 . 0 0 "[ ]" 1
18 1 8 ARG HA 1 8 ARG HG2 2.400 . 3.600 2.288 2.288 2.288 . 0 0 "[ ]" 1
19 1 8 ARG HA 1 9 PRO HD3 2.000 . 4.500 3.993 3.993 3.993 . 0 0 "[ ]" 1
20 1 8 ARG HB2 1 8 ARG HD2 2.400 . 3.600 3.462 3.462 3.462 . 0 0 "[ ]" 1
21 1 8 ARG HB2 1 8 ARG HG2 2.100 . 3.000 2.618 2.618 2.618 . 0 0 "[ ]" 1
22 1 8 ARG HB2 1 9 PRO HD3 3.100 . 5.000 1.962 1.962 1.962 . 0 0 "[ ]" 1
23 1 8 ARG HD2 1 8 ARG HG2 2.100 . 3.000 2.964 2.964 2.964 . 0 0 "[ ]" 1
24 1 8 ARG HD2 1 9 PRO HD3 3.200 . 5.200 4.287 4.287 4.287 . 0 0 "[ ]" 1
25 1 8 ARG HG2 1 9 PRO HD3 3.100 . 5.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
26 1 9 PRO HA 1 9 PRO HB3 1.900 . 2.600 2.338 2.338 2.338 . 0 0 "[ ]" 1
27 1 9 PRO HA 1 10 LYS H 3.200 . 5.200 2.783 2.783 2.783 . 0 0 "[ ]" 1
28 1 9 PRO HA 1 10 LYS HG3 3.300 . 5.500 4.714 4.714 4.714 . 0 0 "[ ]" 1
29 1 9 PRO HA 1 116 LEU MD1 3.700 . 5.500 3.696 3.696 3.696 . 0 0 "[ ]" 1
30 1 9 PRO HB2 1 9 PRO HD3 3.300 . 5.500 3.959 3.959 3.959 . 0 0 "[ ]" 1
31 1 9 PRO HB2 1 10 LYS H 3.600 . 5.500 1.940 1.940 1.940 . 0 0 "[ ]" 1
32 1 9 PRO HD3 1 9 PRO HG2 2.300 . 3.400 2.960 2.960 2.960 . 0 0 "[ ]" 1
33 1 9 PRO HD3 1 9 PRO HG3 2.200 . 3.200 2.282 2.282 2.282 . 0 0 "[ ]" 1
34 1 9 PRO HD3 1 116 LEU MD1 3.000 . 4.800 4.770 4.770 4.770 . 0 0 "[ ]" 1
35 1 9 PRO HG2 1 11 ALA HA 3.400 . 5.500 3.601 3.601 3.601 . 0 0 "[ ]" 1
36 1 9 PRO HG3 1 12 LEU HA 3.300 . 5.500 5.171 5.171 5.171 . 0 0 "[ ]" 1
37 1 9 PRO HG3 1 12 LEU MD1 3.200 . 5.200 5.220 5.220 5.220 0.020 1 0 "[ ]" 1
38 1 9 PRO HG3 1 116 LEU MD1 2.800 . 4.400 3.313 3.313 3.313 . 0 0 "[ ]" 1
39 1 10 LYS H 1 10 LYS HB2 2.700 . 4.200 3.560 3.560 3.560 . 0 0 "[ ]" 1
40 1 10 LYS H 1 11 ALA H 3.600 . 5.500 3.400 3.400 3.400 . 0 0 "[ ]" 1
41 1 10 LYS HA 1 10 LYS HB2 2.000 . 2.800 2.501 2.501 2.501 . 0 0 "[ ]" 1
42 1 10 LYS HA 1 10 LYS HD3 3.100 . 5.000 4.100 4.100 4.100 . 0 0 "[ ]" 1
43 1 10 LYS HA 1 10 LYS HE2 3.500 . 5.500 4.927 4.927 4.927 . 0 0 "[ ]" 1
44 1 10 LYS HA 1 10 LYS HG2 3.700 . 5.500 4.111 4.111 4.111 . 0 0 "[ ]" 1
45 1 10 LYS HA 1 10 LYS HG3 3.100 . 5.000 3.506 3.506 3.506 . 0 0 "[ ]" 1
46 1 10 LYS HA 1 11 ALA H 3.200 . 5.200 2.752 2.752 2.752 . 0 0 "[ ]" 1
47 1 10 LYS HB2 1 10 LYS HD3 1.900 . 4.500 2.127 2.127 2.127 . 0 0 "[ ]" 1
48 1 10 LYS HB2 1 10 LYS HE2 2.300 . 4.500 2.573 2.573 2.573 . 0 0 "[ ]" 1
49 1 10 LYS HB2 1 10 LYS HG3 2.000 . 2.800 2.876 2.876 2.876 0.076 1 0 "[ ]" 1
50 1 10 LYS HB2 1 11 ALA H 3.000 . 4.800 4.484 4.484 4.484 . 0 0 "[ ]" 1
51 1 10 LYS HD3 1 10 LYS HE2 2.200 . 3.200 2.592 2.592 2.592 . 0 0 "[ ]" 1
52 1 10 LYS HD3 1 10 LYS HG2 2.400 . 3.600 3.000 3.000 3.000 . 0 0 "[ ]" 1
53 1 10 LYS HD3 1 10 LYS HG3 1.900 . 2.600 2.636 2.636 2.636 0.036 1 0 "[ ]" 1
54 1 10 LYS HD3 1 11 ALA H 3.500 . 5.500 5.012 5.012 5.012 . 0 0 "[ ]" 1
55 1 10 LYS HD3 1 11 ALA MB 2.700 . 4.200 3.785 3.785 3.785 . 0 0 "[ ]" 1
56 1 10 LYS HD3 1 16 LEU MD1 3.400 . 5.500 3.478 3.478 3.478 . 0 0 "[ ]" 1
57 1 10 LYS HD3 1 103 THR MG 2.900 . 4.600 4.142 4.142 4.142 . 0 0 "[ ]" 1
58 1 10 LYS HE2 1 10 LYS HG2 2.000 . 2.800 2.540 2.540 2.540 . 0 0 "[ ]" 1
59 1 10 LYS HE2 1 10 LYS HG3 2.900 . 4.600 3.663 3.663 3.663 . 0 0 "[ ]" 1
60 1 10 LYS HE2 1 15 VAL MG1 3.000 . 4.800 3.280 3.280 3.280 . 0 0 "[ ]" 1
61 1 10 LYS HE2 1 15 VAL MG2 3.100 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
62 1 10 LYS HE2 1 24 VAL HB 2.100 . 4.500 4.201 4.201 4.201 . 0 0 "[ ]" 1
63 1 10 LYS HE2 1 24 VAL MG2 2.200 . 3.200 1.904 1.904 1.904 . 0 0 "[ ]" 1
64 1 10 LYS HE2 1 98 MET HB2 3.000 . 4.800 4.284 4.284 4.284 . 0 0 "[ ]" 1
65 1 10 LYS HE2 1 98 MET ME 3.500 . 5.500 3.752 3.752 3.752 . 0 0 "[ ]" 1
66 1 10 LYS HE2 1 100 ALA MB 2.800 . 4.400 4.416 4.416 4.416 0.016 1 0 "[ ]" 1
67 1 10 LYS HE2 1 103 THR MG 3.000 . 4.800 2.019 2.019 2.019 . 0 0 "[ ]" 1
68 1 10 LYS HG2 1 16 LEU MD1 3.200 . 5.200 4.589 4.589 4.589 . 0 0 "[ ]" 1
69 1 10 LYS HG3 1 16 LEU MD1 2.200 . 4.500 4.370 4.370 4.370 . 0 0 "[ ]" 1
70 1 11 ALA H 1 11 ALA HA 2.800 . 4.400 2.355 2.355 2.355 . 0 0 "[ ]" 1
71 1 11 ALA H 1 11 ALA MB 2.200 . 3.200 2.830 2.830 2.830 . 0 0 "[ ]" 1
72 1 11 ALA H 1 12 LEU H 3.000 . 4.800 4.395 4.395 4.395 . 0 0 "[ ]" 1
73 1 11 ALA HA 1 11 ALA MB 1.900 . 2.600 2.141 2.141 2.141 . 0 0 "[ ]" 1
74 1 11 ALA HA 1 14 GLN HB2 2.400 . 4.500 4.061 4.061 4.061 . 0 0 "[ ]" 1
75 1 11 ALA MB 1 14 GLN HB2 2.200 . 3.200 1.840 1.840 1.840 . 0 0 "[ ]" 1
76 1 11 ALA MB 1 14 GLN HG2 2.700 . 4.200 3.501 3.501 3.501 . 0 0 "[ ]" 1
77 1 11 ALA MB 1 16 LEU H 3.300 . 5.500 3.793 3.793 3.793 . 0 0 "[ ]" 1
78 1 12 LEU H 1 12 LEU HA 2.900 . 4.600 2.892 2.892 2.892 . 0 0 "[ ]" 1
79 1 12 LEU H 1 12 LEU HB2 2.000 . 2.800 2.556 2.556 2.556 . 0 0 "[ ]" 1
80 1 12 LEU H 1 12 LEU HB3 2.900 . 4.600 2.330 2.330 2.330 . 0 0 "[ ]" 1
81 1 12 LEU H 1 14 GLN H 2.800 . 4.400 3.554 3.554 3.554 . 0 0 "[ ]" 1
82 1 12 LEU H 1 120 LEU HB3 2.500 . 4.500 4.511 4.511 4.511 0.011 1 0 "[ ]" 1
83 1 12 LEU H 1 120 LEU MD2 4.000 . 5.500 2.595 2.595 2.595 . 0 0 "[ ]" 1
84 1 12 LEU HA 1 12 LEU MD1 3.200 . 5.200 2.153 2.153 2.153 . 0 0 "[ ]" 1
85 1 12 LEU HA 1 12 LEU MD2 2.300 . 4.500 3.898 3.898 3.898 . 0 0 "[ ]" 1
86 1 12 LEU HA 1 13 THR H 2.400 . 3.600 3.534 3.534 3.534 . 0 0 "[ ]" 1
87 1 12 LEU HB2 1 12 LEU MD1 2.200 . 3.200 2.214 2.214 2.214 . 0 0 "[ ]" 1
88 1 12 LEU HB2 1 13 THR H 2.700 . 4.200 3.439 3.439 3.439 . 0 0 "[ ]" 1
89 1 12 LEU HB3 1 12 LEU MD1 2.700 . 4.200 3.174 3.174 3.174 . 0 0 "[ ]" 1
90 1 12 LEU HB3 1 14 GLN HG2 3.100 . 5.000 4.098 4.098 4.098 . 0 0 "[ ]" 1
91 1 12 LEU MD1 1 16 LEU MD1 2.200 . 4.500 4.494 4.494 4.494 . 0 0 "[ ]" 1
92 1 13 THR H 1 13 THR HA 3.000 . 4.800 2.970 2.970 2.970 . 0 0 "[ ]" 1
93 1 13 THR H 1 13 THR MG 3.100 . 5.000 2.693 2.693 2.693 . 0 0 "[ ]" 1
94 1 13 THR H 1 14 GLN H 3.100 . 5.000 2.250 2.250 2.250 . 0 0 "[ ]" 1
95 1 13 THR H 1 14 GLN HA 3.100 . 5.000 4.796 4.796 4.796 . 0 0 "[ ]" 1
96 1 13 THR H 1 16 LEU MD2 3.600 . 5.500 5.514 5.514 5.514 0.014 1 0 "[ ]" 1
97 1 13 THR H 1 120 LEU HB3 3.700 . 5.500 5.536 5.536 5.536 0.036 1 0 "[ ]" 1
98 1 13 THR HA 1 13 THR HB 2.400 . 3.600 2.562 2.562 2.562 . 0 0 "[ ]" 1
99 1 13 THR HA 1 13 THR MG 2.000 . 2.800 2.215 2.215 2.215 . 0 0 "[ ]" 1
100 1 13 THR HA 1 15 VAL H 3.300 . 5.500 4.883 4.883 4.883 . 0 0 "[ ]" 1
101 1 13 THR HA 1 16 LEU H 3.700 . 5.500 3.291 3.291 3.291 . 0 0 "[ ]" 1
102 1 13 THR HA 1 16 LEU HB2 2.800 . 4.400 2.269 2.269 2.269 . 0 0 "[ ]" 1
103 1 13 THR HA 1 16 LEU HB3 2.600 . 4.000 2.495 2.495 2.495 . 0 0 "[ ]" 1
104 1 13 THR HA 1 16 LEU MD1 2.600 . 4.000 3.435 3.435 3.435 . 0 0 "[ ]" 1
105 1 13 THR HA 1 16 LEU MD2 3.000 . 4.800 3.131 3.131 3.131 . 0 0 "[ ]" 1
106 1 13 THR HA 1 17 SER H 3.500 . 5.500 4.236 4.236 4.236 . 0 0 "[ ]" 1
107 1 13 THR HB 1 13 THR MG 2.100 . 3.000 2.110 2.110 2.110 . 0 0 "[ ]" 1
108 1 14 GLN H 1 14 GLN HA 2.800 . 4.400 2.790 2.790 2.790 . 0 0 "[ ]" 1
109 1 14 GLN H 1 14 GLN HB2 2.300 . 3.400 2.296 2.296 2.296 . 0 0 "[ ]" 1
110 1 14 GLN HA 1 14 GLN HB2 2.500 . 3.800 3.028 3.028 3.028 . 0 0 "[ ]" 1
111 1 14 GLN HA 1 14 GLN HG2 2.500 . 3.800 2.900 2.900 2.900 . 0 0 "[ ]" 1
112 1 14 GLN HA 1 17 SER H 3.000 . 4.800 4.060 4.060 4.060 . 0 0 "[ ]" 1
113 1 14 GLN HB2 1 14 GLN HG2 1.800 . 2.400 2.449 2.449 2.449 0.049 1 0 "[ ]" 1
114 1 15 VAL H 1 15 VAL HA 2.700 . 4.200 2.880 2.880 2.880 . 0 0 "[ ]" 1
115 1 15 VAL H 1 15 VAL HB 2.100 . 3.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
116 1 15 VAL H 1 15 VAL MG2 2.200 . 3.200 1.917 1.917 1.917 . 0 0 "[ ]" 1
117 1 15 VAL H 1 16 LEU H 2.400 . 3.600 2.615 2.615 2.615 . 0 0 "[ ]" 1
118 1 15 VAL H 1 18 GLN H 3.100 . 5.000 5.028 5.028 5.028 0.028 1 0 "[ ]" 1
119 1 15 VAL HA 1 15 VAL HB 2.400 . 3.600 3.042 3.042 3.042 . 0 0 "[ ]" 1
120 1 15 VAL HA 1 15 VAL MG1 1.800 . 2.400 2.408 2.408 2.408 0.008 1 0 "[ ]" 1
121 1 15 VAL HA 1 15 VAL MG2 2.100 . 3.000 2.384 2.384 2.384 . 0 0 "[ ]" 1
122 1 15 VAL HA 1 18 GLN HB2 3.300 . 5.500 3.157 3.157 3.157 . 0 0 "[ ]" 1
123 1 15 VAL HA 1 18 GLN HG3 3.100 . 5.000 3.371 3.371 3.371 . 0 0 "[ ]" 1
124 1 15 VAL HB 1 15 VAL MG1 2.100 . 3.000 2.151 2.151 2.151 . 0 0 "[ ]" 1
125 1 15 VAL HB 1 15 VAL MG2 2.100 . 3.000 2.152 2.152 2.152 . 0 0 "[ ]" 1
126 1 15 VAL HB 1 16 LEU H 3.400 . 5.500 2.990 2.990 2.990 . 0 0 "[ ]" 1
127 1 15 VAL MG1 1 15 VAL MG2 2.400 . 3.600 2.072 2.072 2.072 . 0 0 "[ ]" 1
128 1 15 VAL MG1 1 16 LEU MD1 3.400 . 5.500 4.357 4.357 4.357 . 0 0 "[ ]" 1
129 1 15 VAL MG1 1 18 GLN HG3 3.500 . 5.500 5.123 5.123 5.123 . 0 0 "[ ]" 1
130 1 15 VAL MG1 1 19 ALA H 3.600 . 5.500 3.136 3.136 3.136 . 0 0 "[ ]" 1
131 1 15 VAL MG1 1 19 ALA MB 2.700 . 4.200 3.288 3.288 3.288 . 0 0 "[ ]" 1
132 1 15 VAL MG1 1 23 GLY HA2 3.100 . 5.000 5.025 5.025 5.025 0.025 1 0 "[ ]" 1
133 1 15 VAL MG1 1 23 GLY HA3 3.000 . 4.800 4.787 4.787 4.787 . 0 0 "[ ]" 1
134 1 15 VAL MG2 1 19 ALA MB 3.900 . 5.500 5.248 5.248 5.248 . 0 0 "[ ]" 1
135 1 15 VAL MG2 1 24 VAL H 3.400 . 5.500 4.919 4.919 4.919 . 0 0 "[ ]" 1
136 1 16 LEU H 1 16 LEU HB2 2.800 . 4.400 2.045 2.045 2.045 . 0 0 "[ ]" 1
137 1 16 LEU H 1 16 LEU MD1 2.900 . 4.600 3.446 3.446 3.446 . 0 0 "[ ]" 1
138 1 16 LEU H 1 17 SER H 3.300 . 5.500 2.552 2.552 2.552 . 0 0 "[ ]" 1
139 1 16 LEU HA 1 16 LEU HB2 2.300 . 3.400 2.744 2.744 2.744 . 0 0 "[ ]" 1
140 1 16 LEU HA 1 16 LEU MD1 1.900 . 2.600 2.627 2.627 2.627 0.027 1 0 "[ ]" 1
141 1 16 LEU HA 1 16 LEU MD2 3.600 . 5.500 3.585 3.585 3.585 . 0 0 "[ ]" 1
142 1 16 LEU HA 1 16 LEU HG 3.000 . 4.800 2.092 2.092 2.092 . 0 0 "[ ]" 1
143 1 16 LEU HA 1 19 ALA MB 3.200 . 5.200 3.293 3.293 3.293 . 0 0 "[ ]" 1
144 1 16 LEU HA 1 24 VAL HB 3.400 . 5.500 5.523 5.523 5.523 0.023 1 0 "[ ]" 1
145 1 16 LEU HA 1 27 THR MG 2.000 . 2.800 1.838 1.838 1.838 . 0 0 "[ ]" 1
146 1 16 LEU HA 1 96 LEU MD2 3.100 . 5.000 5.038 5.038 5.038 0.038 1 0 "[ ]" 1
147 1 16 LEU HB2 1 16 LEU MD1 2.200 . 3.200 2.151 2.151 2.151 . 0 0 "[ ]" 1
148 1 16 LEU HB2 1 16 LEU MD2 2.700 . 4.200 2.783 2.783 2.783 . 0 0 "[ ]" 1
149 1 16 LEU HB2 1 17 SER H 3.500 . 5.500 3.605 3.605 3.605 . 0 0 "[ ]" 1
150 1 16 LEU HB3 1 16 LEU MD1 2.200 . 3.200 3.073 3.073 3.073 . 0 0 "[ ]" 1
151 1 16 LEU HB3 1 16 LEU MD2 2.000 . 2.800 1.937 1.937 1.937 . 0 0 "[ ]" 1
152 1 16 LEU HB3 1 17 SER H 3.500 . 5.500 3.062 3.062 3.062 . 0 0 "[ ]" 1
153 1 16 LEU HB3 1 27 THR MG 3.800 . 5.500 4.082 4.082 4.082 . 0 0 "[ ]" 1
154 1 16 LEU QD 1 19 ALA MB 3.300 . 5.500 4.618 4.618 4.618 . 0 0 "[ ]" 1
155 1 16 LEU MD1 1 16 LEU HG 1.900 . 2.600 2.148 2.148 2.148 . 0 0 "[ ]" 1
156 1 16 LEU MD1 1 27 THR HA 3.300 . 5.500 4.676 4.676 4.676 . 0 0 "[ ]" 1
157 1 16 LEU MD1 1 27 THR MG 1.900 . 2.600 2.248 2.248 2.248 . 0 0 "[ ]" 1
158 1 16 LEU MD1 1 29 LEU MD2 2.500 . 3.800 1.977 1.977 1.977 . 0 0 "[ ]" 1
159 1 16 LEU MD1 1 96 LEU HA 3.300 . 5.500 4.684 4.684 4.684 . 0 0 "[ ]" 1
160 1 16 LEU MD1 1 96 LEU MD2 1.800 . 2.400 2.127 2.127 2.127 . 0 0 "[ ]" 1
161 1 16 LEU MD2 1 16 LEU HG 2.100 . 3.000 2.111 2.111 2.111 . 0 0 "[ ]" 1
162 1 16 LEU MD2 1 27 THR MG 3.400 . 5.500 3.469 3.469 3.469 . 0 0 "[ ]" 1
163 1 16 LEU MD2 1 28 LEU HA 3.200 . 5.200 5.248 5.248 5.248 0.048 1 0 "[ ]" 1
164 1 16 LEU MD2 1 29 LEU MD2 2.500 . 3.800 1.857 1.857 1.857 . 0 0 "[ ]" 1
165 1 17 SER H 1 17 SER HA 2.900 . 4.600 2.967 2.967 2.967 . 0 0 "[ ]" 1
166 1 17 SER H 1 18 GLN H 3.300 . 5.500 2.379 2.379 2.379 . 0 0 "[ ]" 1
167 1 17 SER HA 1 17 SER HB2 2.000 . 2.800 2.653 2.653 2.653 . 0 0 "[ ]" 1
168 1 17 SER HA 1 19 ALA H 3.000 . 4.800 4.841 4.841 4.841 0.041 1 0 "[ ]" 1
169 1 18 GLN H 1 18 GLN HA 2.400 . 3.600 2.954 2.954 2.954 . 0 0 "[ ]" 1
170 1 18 GLN H 1 18 GLN HB2 2.100 . 3.000 2.809 2.809 2.809 . 0 0 "[ ]" 1
171 1 18 GLN H 1 18 GLN HG3 2.400 . 4.500 1.942 1.942 1.942 . 0 0 "[ ]" 1
172 1 18 GLN H 1 20 ASN H 3.500 . 5.500 5.235 5.235 5.235 . 0 0 "[ ]" 1
173 1 18 GLN HA 1 18 GLN HB2 2.300 . 3.400 3.009 3.009 3.009 . 0 0 "[ ]" 1
174 1 18 GLN HA 1 18 GLN HG3 2.400 . 3.600 3.619 3.619 3.619 0.019 1 0 "[ ]" 1
175 1 18 GLN HB2 1 18 GLN HG3 2.100 . 3.000 2.354 2.354 2.354 . 0 0 "[ ]" 1
176 1 18 GLN HG3 1 19 ALA HA 3.600 . 5.500 5.612 5.612 5.612 0.112 1 0 "[ ]" 1
177 1 19 ALA H 1 19 ALA HA 2.800 . 4.400 2.349 2.349 2.349 . 0 0 "[ ]" 1
178 1 19 ALA H 1 19 ALA MB 2.500 . 3.800 2.711 2.711 2.711 . 0 0 "[ ]" 1
179 1 19 ALA HA 1 19 ALA MB 1.900 . 2.600 2.161 2.161 2.161 . 0 0 "[ ]" 1
180 1 19 ALA HA 1 21 THR H 3.600 . 5.500 4.855 4.855 4.855 . 0 0 "[ ]" 1
181 1 19 ALA HA 1 22 GLY H 3.200 . 5.200 4.877 4.877 4.877 . 0 0 "[ ]" 1
182 1 19 ALA HA 1 24 VAL MG2 3.300 . 5.500 3.729 3.729 3.729 . 0 0 "[ ]" 1
183 1 19 ALA MB 1 24 VAL MG2 3.300 . 5.500 4.196 4.196 4.196 . 0 0 "[ ]" 1
184 1 19 ALA MB 1 27 THR MG 2.200 . 4.500 2.482 2.482 2.482 . 0 0 "[ ]" 1
185 1 20 ASN H 1 20 ASN HB2 3.100 . 5.000 2.861 2.861 2.861 . 0 0 "[ ]" 1
186 1 20 ASN H 1 20 ASN HB3 3.200 . 5.200 3.678 3.678 3.678 . 0 0 "[ ]" 1
187 1 20 ASN H 1 21 THR H 3.400 . 5.500 2.313 2.313 2.313 . 0 0 "[ ]" 1
188 1 20 ASN H 1 21 THR HA 3.500 . 5.500 4.718 4.718 4.718 . 0 0 "[ ]" 1
189 1 20 ASN HA 1 20 ASN HB3 2.300 . 3.400 2.805 2.805 2.805 . 0 0 "[ ]" 1
190 1 20 ASN HA 1 24 VAL HB 2.600 . 4.500 4.558 4.558 4.558 0.058 1 0 "[ ]" 1
191 1 20 ASN HA 1 25 GLN HB2 3.500 . 5.500 5.304 5.304 5.304 . 0 0 "[ ]" 1
192 1 20 ASN HB2 1 21 THR H 2.400 . 3.600 2.761 2.761 2.761 . 0 0 "[ ]" 1
193 1 20 ASN HB3 1 21 THR H 2.700 . 4.200 2.678 2.678 2.678 . 0 0 "[ ]" 1
194 1 21 THR H 1 21 THR MG 2.900 . 4.600 2.306 2.306 2.306 . 0 0 "[ ]" 1
195 1 21 THR H 1 23 GLY H 3.600 . 5.500 5.525 5.525 5.525 0.025 1 0 "[ ]" 1
196 1 21 THR HA 1 21 THR HB 2.000 . 2.800 2.552 2.552 2.552 . 0 0 "[ ]" 1
197 1 21 THR HA 1 21 THR MG 1.900 . 2.600 2.164 2.164 2.164 . 0 0 "[ ]" 1
198 1 21 THR HB 1 21 THR MG 1.900 . 2.600 2.123 2.123 2.123 . 0 0 "[ ]" 1
199 1 22 GLY H 1 23 GLY H 4.100 . 5.500 3.542 3.542 3.542 . 0 0 "[ ]" 1
200 1 23 GLY H 1 23 GLY HA2 2.800 . 4.400 2.924 2.924 2.924 . 0 0 "[ ]" 1
201 1 23 GLY H 1 23 GLY HA3 3.000 . 4.800 2.746 2.746 2.746 . 0 0 "[ ]" 1
202 1 23 GLY H 1 24 VAL H 2.900 . 4.600 2.213 2.213 2.213 . 0 0 "[ ]" 1
203 1 24 VAL H 1 24 VAL HB 2.600 . 4.000 2.910 2.910 2.910 . 0 0 "[ ]" 1
204 1 24 VAL H 1 24 VAL MG2 2.700 . 4.200 2.460 2.460 2.460 . 0 0 "[ ]" 1
205 1 24 VAL HA 1 24 VAL MG2 2.000 . 2.800 2.631 2.631 2.631 . 0 0 "[ ]" 1
206 1 24 VAL HA 1 100 ALA HA 2.100 . 3.000 3.057 3.057 3.057 0.057 1 0 "[ ]" 1
207 1 24 VAL HA 1 100 ALA MB 2.100 . 3.000 2.519 2.519 2.519 . 0 0 "[ ]" 1
208 1 24 VAL HB 1 24 VAL MG2 1.900 . 2.600 2.155 2.155 2.155 . 0 0 "[ ]" 1
209 1 24 VAL MG2 1 25 GLN H 3.100 . 5.000 3.941 3.941 3.941 . 0 0 "[ ]" 1
210 1 24 VAL MG2 1 100 ALA MB 2.400 . 3.600 2.949 2.949 2.949 . 0 0 "[ ]" 1
211 1 24 VAL MG2 1 101 LYS H 3.100 . 5.000 5.052 5.052 5.052 0.052 1 0 "[ ]" 1
212 1 24 VAL MG2 1 103 THR MG 1.900 . 2.600 2.149 2.149 2.149 . 0 0 "[ ]" 1
213 1 25 GLN H 1 25 GLN HA 2.800 . 4.400 2.992 2.992 2.992 . 0 0 "[ ]" 1
214 1 25 GLN H 1 25 GLN HB2 3.700 . 5.500 2.460 2.460 2.460 . 0 0 "[ ]" 1
215 1 25 GLN H 1 100 ALA HA 3.400 . 5.500 3.218 3.218 3.218 . 0 0 "[ ]" 1
216 1 26 SER HA 1 26 SER HB2 2.300 . 3.400 2.267 2.267 2.267 . 0 0 "[ ]" 1
217 1 26 SER HA 1 26 SER HB3 2.900 . 4.600 2.879 2.879 2.879 . 0 0 "[ ]" 1
218 1 27 THR H 1 40 SER HA 2.400 . 3.600 3.620 3.620 3.620 0.020 1 0 "[ ]" 1
219 1 27 THR H 1 40 SER HB3 3.000 . 4.800 2.151 2.151 2.151 . 0 0 "[ ]" 1
220 1 27 THR HA 1 27 THR MG 2.000 . 2.800 1.952 1.952 1.952 . 0 0 "[ ]" 1
221 1 27 THR HA 1 29 LEU MD2 2.800 . 4.400 4.253 4.253 4.253 . 0 0 "[ ]" 1
222 1 27 THR HA 1 38 ALA MB 3.300 . 5.500 5.169 5.169 5.169 . 0 0 "[ ]" 1
223 1 27 THR HA 1 96 LEU MD2 3.900 . 5.500 4.472 4.472 4.472 . 0 0 "[ ]" 1
224 1 27 THR HA 1 98 MET HA 2.300 . 3.400 2.117 2.117 2.117 . 0 0 "[ ]" 1
225 1 27 THR HB 1 27 THR MG 2.100 . 3.000 2.109 2.109 2.109 . 0 0 "[ ]" 1
226 1 27 THR HB 1 29 LEU MD2 3.000 . 4.800 3.201 3.201 3.201 . 0 0 "[ ]" 1
227 1 27 THR HB 1 96 LEU MD2 3.300 . 5.500 4.508 4.508 4.508 . 0 0 "[ ]" 1
228 1 27 THR MG 1 96 LEU MD2 2.200 . 3.200 3.238 3.238 3.238 0.038 1 0 "[ ]" 1
229 1 27 THR MG 1 98 MET HA 2.700 . 4.200 3.234 3.234 3.234 . 0 0 "[ ]" 1
230 1 27 THR MG 1 98 MET HB2 2.400 . 3.600 2.487 2.487 2.487 . 0 0 "[ ]" 1
231 1 27 THR MG 1 98 MET ME 2.700 . 4.200 3.993 3.993 3.993 . 0 0 "[ ]" 1
232 1 27 THR MG 1 98 MET HG3 3.700 . 5.500 4.654 4.654 4.654 . 0 0 "[ ]" 1
233 1 28 LEU H 1 28 LEU HB2 3.300 . 5.500 2.983 2.983 2.983 . 0 0 "[ ]" 1
234 1 28 LEU H 1 86 VAL MG2 3.000 . 4.800 4.573 4.573 4.573 . 0 0 "[ ]" 1
235 1 28 LEU HA 1 29 LEU H 2.600 . 4.000 2.228 2.228 2.228 . 0 0 "[ ]" 1
236 1 28 LEU HB2 1 29 LEU H 3.300 . 5.500 4.448 4.448 4.448 . 0 0 "[ ]" 1
237 1 28 LEU HB2 1 30 LEU MD2 3.100 . 5.000 4.324 4.324 4.324 . 0 0 "[ ]" 1
238 1 28 LEU MD2 1 50 THR MG 3.100 . 5.000 3.902 3.902 3.902 . 0 0 "[ ]" 1
239 1 28 LEU MD2 1 54 ALA MB 2.100 . 4.500 2.725 2.725 2.725 . 0 0 "[ ]" 1
240 1 28 LEU MD2 1 57 ILE MG 3.300 . 5.500 4.124 4.124 4.124 . 0 0 "[ ]" 1
241 1 28 LEU HG 1 29 LEU H 3.300 . 5.500 2.880 2.880 2.880 . 0 0 "[ ]" 1
242 1 28 LEU HG 1 30 LEU MD2 2.600 . 4.500 2.198 2.198 2.198 . 0 0 "[ ]" 1
243 1 29 LEU H 1 29 LEU HB2 2.800 . 4.400 2.205 2.205 2.205 . 0 0 "[ ]" 1
244 1 29 LEU H 1 38 ALA H 3.800 . 5.500 4.587 4.587 4.587 . 0 0 "[ ]" 1
245 1 29 LEU HA 1 29 LEU HB2 2.600 . 4.000 2.912 2.912 2.912 . 0 0 "[ ]" 1
246 1 29 LEU HA 1 29 LEU MD1 2.800 . 4.400 1.910 1.910 1.910 . 0 0 "[ ]" 1
247 1 29 LEU HA 1 29 LEU MD2 2.100 . 3.000 2.167 2.167 2.167 . 0 0 "[ ]" 1
248 1 29 LEU HA 1 30 LEU H 2.700 . 4.200 2.193 2.193 2.193 . 0 0 "[ ]" 1
249 1 29 LEU HA 1 30 LEU MD2 2.900 . 4.600 3.016 3.016 3.016 . 0 0 "[ ]" 1
250 1 29 LEU HA 1 95 LEU HB3 3.200 . 5.200 5.233 5.233 5.233 0.033 1 0 "[ ]" 1
251 1 29 LEU HA 1 96 LEU HA 3.100 . 5.000 2.748 2.748 2.748 . 0 0 "[ ]" 1
252 1 29 LEU HB2 1 29 LEU MD2 2.500 . 3.800 2.326 2.326 2.326 . 0 0 "[ ]" 1
253 1 29 LEU HB2 1 96 LEU HA 3.100 . 5.000 5.117 5.117 5.117 0.117 1 0 "[ ]" 1
254 1 29 LEU MD1 1 96 LEU HA 2.700 . 4.200 1.874 1.874 1.874 . 0 0 "[ ]" 1
255 1 29 LEU MD2 1 38 ALA MB 2.500 . 4.500 4.615 4.615 4.615 0.115 1 0 "[ ]" 1
256 1 29 LEU MD2 1 96 LEU HA 2.100 . 3.000 2.277 2.277 2.277 . 0 0 "[ ]" 1
257 1 29 LEU MD2 1 98 MET HA 3.100 . 5.000 4.713 4.713 4.713 . 0 0 "[ ]" 1
258 1 29 LEU MD2 1 98 MET ME 2.300 . 4.500 4.250 4.250 4.250 . 0 0 "[ ]" 1
259 1 30 LEU H 1 30 LEU HB3 3.000 . 4.800 3.701 3.701 3.701 . 0 0 "[ ]" 1
260 1 30 LEU H 1 31 ASN H 3.400 . 5.500 4.287 4.287 4.287 . 0 0 "[ ]" 1
261 1 30 LEU H 1 95 LEU H 3.600 . 5.500 4.031 4.031 4.031 . 0 0 "[ ]" 1
262 1 30 LEU HA 1 30 LEU MD1 3.700 . 5.500 3.749 3.749 3.749 . 0 0 "[ ]" 1
263 1 30 LEU HA 1 30 LEU MD2 2.000 . 2.800 1.975 1.975 1.975 . 0 0 "[ ]" 1
264 1 30 LEU HA 1 31 ASN H 2.800 . 4.400 2.203 2.203 2.203 . 0 0 "[ ]" 1
265 1 30 LEU HA 1 36 LEU H 3.400 . 5.500 4.634 4.634 4.634 . 0 0 "[ ]" 1
266 1 30 LEU HA 1 36 LEU HA 3.400 . 5.500 2.128 2.128 2.128 . 0 0 "[ ]" 1
267 1 30 LEU HA 1 37 LEU MD1 2.200 . 3.200 3.217 3.217 3.217 0.017 1 0 "[ ]" 1
268 1 30 LEU HA 1 37 LEU HG 3.100 . 5.000 5.022 5.022 5.022 0.022 1 0 "[ ]" 1
269 1 30 LEU HA 1 94 LEU MD1 2.900 . 4.600 4.635 4.635 4.635 0.035 1 0 "[ ]" 1
270 1 30 LEU HB2 1 30 LEU MD1 2.500 . 3.800 2.484 2.484 2.484 . 0 0 "[ ]" 1
271 1 30 LEU HB2 1 30 LEU MD2 3.300 . 5.500 3.195 3.195 3.195 . 0 0 "[ ]" 1
272 1 30 LEU HB2 1 33 GLU H 3.200 . 5.200 4.640 4.640 4.640 . 0 0 "[ ]" 1
273 1 30 LEU HB2 1 97 CYS HB2 3.400 . 5.500 5.223 5.223 5.223 . 0 0 "[ ]" 1
274 1 30 LEU HB3 1 30 LEU MD1 1.900 . 2.600 2.239 2.239 2.239 . 0 0 "[ ]" 1
275 1 30 LEU HB3 1 30 LEU MD2 3.000 . 4.800 2.611 2.611 2.611 . 0 0 "[ ]" 1
276 1 30 LEU HB3 1 34 GLY H 2.900 . 4.600 3.111 3.111 3.111 . 0 0 "[ ]" 1
277 1 30 LEU MD1 1 30 LEU MD2 2.100 . 3.000 1.959 1.959 1.959 . 0 0 "[ ]" 1
278 1 30 LEU MD1 1 54 ALA H 3.300 . 5.500 5.515 5.515 5.515 0.015 1 0 "[ ]" 1
279 1 30 LEU MD2 1 36 LEU HA 1.800 . 2.400 2.046 2.046 2.046 . 0 0 "[ ]" 1
280 1 30 LEU MD2 1 36 LEU HB2 2.000 . 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 1
281 1 30 LEU MD2 1 36 LEU MD1 2.500 . 3.800 1.668 1.668 1.668 . 0 0 "[ ]" 1
282 1 30 LEU MD2 1 38 ALA HA 3.300 . 5.500 4.721 4.721 4.721 . 0 0 "[ ]" 1
283 1 30 LEU MD2 1 38 ALA MB 2.200 . 4.500 3.380 3.380 3.380 . 0 0 "[ ]" 1
284 1 30 LEU MD2 1 50 THR HB 3.100 . 5.000 4.936 4.936 4.936 . 0 0 "[ ]" 1
285 1 30 LEU MD2 1 54 ALA MB 2.000 . 4.500 3.282 3.282 3.282 . 0 0 "[ ]" 1
286 1 30 LEU MD2 1 97 CYS HB2 3.700 . 5.500 3.666 3.666 3.666 . 0 0 "[ ]" 1
287 1 30 LEU MD2 1 97 CYS HB3 2.400 . 3.600 2.868 2.868 2.868 . 0 0 "[ ]" 1
288 1 31 ASN H 1 31 ASN HB3 3.200 . 5.200 3.549 3.549 3.549 . 0 0 "[ ]" 1
289 1 31 ASN H 1 35 SER H 3.100 . 5.000 4.392 4.392 4.392 . 0 0 "[ ]" 1
290 1 31 ASN HA 1 31 ASN HB2 2.500 . 3.800 3.038 3.038 3.038 . 0 0 "[ ]" 1
291 1 31 ASN HA 1 31 ASN HB3 2.400 . 3.600 2.510 2.510 2.510 . 0 0 "[ ]" 1
292 1 31 ASN HA 1 32 ASN H 2.500 . 3.800 2.375 2.375 2.375 . 0 0 "[ ]" 1
293 1 31 ASN HA 1 37 LEU MD1 2.100 . 4.500 4.286 4.286 4.286 . 0 0 "[ ]" 1
294 1 31 ASN HA 1 94 LEU HA 3.100 . 5.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
295 1 31 ASN HA 1 94 LEU MD1 2.300 . 3.400 1.870 1.870 1.870 . 0 0 "[ ]" 1
296 1 31 ASN HA 1 95 LEU H 3.200 . 5.200 3.683 3.683 3.683 . 0 0 "[ ]" 1
297 1 31 ASN HB2 1 32 ASN H 2.500 . 3.800 3.791 3.791 3.791 . 0 0 "[ ]" 1
298 1 31 ASN HB2 1 37 LEU HB2 3.700 . 5.500 5.206 5.206 5.206 . 0 0 "[ ]" 1
299 1 31 ASN HB2 1 37 LEU MD1 2.400 . 3.600 2.385 2.385 2.385 . 0 0 "[ ]" 1
300 1 31 ASN HB2 1 94 LEU MD1 2.800 . 4.400 4.140 4.140 4.140 . 0 0 "[ ]" 1
301 1 31 ASN HB3 1 37 LEU MD1 2.700 . 4.200 3.579 3.579 3.579 . 0 0 "[ ]" 1
302 1 31 ASN HB3 1 94 LEU MD1 2.300 . 3.400 3.356 3.356 3.356 . 0 0 "[ ]" 1
303 1 32 ASN H 1 32 ASN HA 2.900 . 4.600 2.357 2.357 2.357 . 0 0 "[ ]" 1
304 1 32 ASN H 1 32 ASN HB2 2.400 . 3.600 2.944 2.944 2.944 . 0 0 "[ ]" 1
305 1 32 ASN H 1 33 GLU H 3.000 . 4.800 2.780 2.780 2.780 . 0 0 "[ ]" 1
306 1 32 ASN HA 1 32 ASN HB2 2.100 . 3.000 2.594 2.594 2.594 . 0 0 "[ ]" 1
307 1 32 ASN HA 1 32 ASN HB3 3.000 . 4.800 3.028 3.028 3.028 . 0 0 "[ ]" 1
308 1 32 ASN HA 1 33 GLU H 3.300 . 5.500 3.111 3.111 3.111 . 0 0 "[ ]" 1
309 1 33 GLU H 1 33 GLU HB2 2.700 . 4.200 2.973 2.973 2.973 . 0 0 "[ ]" 1
310 1 33 GLU HB2 1 94 LEU HA 3.700 . 5.500 4.109 4.109 4.109 . 0 0 "[ ]" 1
311 1 34 GLY H 1 35 SER H 2.700 . 4.200 2.689 2.689 2.689 . 0 0 "[ ]" 1
312 1 34 GLY H 1 90 ARG HD2 3.200 . 5.200 5.236 5.236 5.236 0.036 1 0 "[ ]" 1
313 1 35 SER H 1 35 SER HA 2.900 . 4.600 2.859 2.859 2.859 . 0 0 "[ ]" 1
314 1 35 SER H 1 35 SER HB2 2.500 . 3.800 2.094 2.094 2.094 . 0 0 "[ ]" 1
315 1 35 SER H 1 35 SER HB3 3.100 . 5.000 2.834 2.834 2.834 . 0 0 "[ ]" 1
316 1 35 SER HA 1 35 SER HB2 2.200 . 3.200 2.676 2.676 2.676 . 0 0 "[ ]" 1
317 1 35 SER HA 1 35 SER HB3 2.100 . 3.000 3.003 3.003 3.003 0.003 1 0 "[ ]" 1
318 1 35 SER HA 1 36 LEU H 2.200 . 3.200 2.257 2.257 2.257 . 0 0 "[ ]" 1
319 1 35 SER HB2 1 36 LEU H 3.100 . 5.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
320 1 36 LEU H 1 36 LEU HB3 2.800 . 4.400 2.272 2.272 2.272 . 0 0 "[ ]" 1
321 1 36 LEU H 1 36 LEU MD1 2.500 . 4.500 4.166 4.166 4.166 . 0 0 "[ ]" 1
322 1 36 LEU H 1 36 LEU MD2 3.200 . 5.200 4.369 4.369 4.369 . 0 0 "[ ]" 1
323 1 36 LEU H 1 37 LEU HG 3.600 . 5.500 3.839 3.839 3.839 . 0 0 "[ ]" 1
324 1 36 LEU HA 1 36 LEU HB3 3.000 . 4.800 2.996 2.996 2.996 . 0 0 "[ ]" 1
325 1 36 LEU HA 1 36 LEU MD1 2.400 . 3.600 2.016 2.016 2.016 . 0 0 "[ ]" 1
326 1 36 LEU HA 1 36 LEU MD2 2.500 . 3.800 3.775 3.775 3.775 . 0 0 "[ ]" 1
327 1 36 LEU HA 1 37 LEU H 2.800 . 4.400 2.209 2.209 2.209 . 0 0 "[ ]" 1
328 1 36 LEU HA 1 37 LEU HG 2.000 . 4.500 4.093 4.093 4.093 . 0 0 "[ ]" 1
329 1 36 LEU HB2 1 36 LEU MD1 2.600 . 4.000 2.579 2.579 2.579 . 0 0 "[ ]" 1
330 1 36 LEU HB2 1 54 ALA MB 2.900 . 4.600 3.280 3.280 3.280 . 0 0 "[ ]" 1
331 1 36 LEU HB3 1 36 LEU MD1 2.300 . 3.400 3.208 3.208 3.208 . 0 0 "[ ]" 1
332 1 36 LEU HB3 1 36 LEU HG 2.300 . 3.400 2.392 2.392 2.392 . 0 0 "[ ]" 1
333 1 36 LEU MD1 1 36 LEU MD2 2.000 . 2.800 2.033 2.033 2.033 . 0 0 "[ ]" 1
334 1 36 LEU MD1 1 36 LEU HG 2.400 . 3.600 2.119 2.119 2.119 . 0 0 "[ ]" 1
335 1 36 LEU MD1 1 38 ALA H 3.400 . 5.500 3.111 3.111 3.111 . 0 0 "[ ]" 1
336 1 36 LEU MD1 1 50 THR MG 2.700 . 4.200 4.059 4.059 4.059 . 0 0 "[ ]" 1
337 1 36 LEU MD1 1 54 ALA MB 2.600 . 4.000 3.122 3.122 3.122 . 0 0 "[ ]" 1
338 1 36 LEU MD2 1 38 ALA H 3.000 . 4.800 5.109 5.109 5.109 0.309 1 0 "[ ]" 1
339 1 36 LEU MD2 1 50 THR HB 2.200 . 3.200 2.614 2.614 2.614 . 0 0 "[ ]" 1
340 1 36 LEU MD2 1 50 THR MG 2.800 . 4.400 4.051 4.051 4.051 . 0 0 "[ ]" 1
341 1 36 LEU HG 1 54 ALA MB 3.800 . 5.500 4.311 4.311 4.311 . 0 0 "[ ]" 1
342 1 37 LEU H 1 37 LEU HB2 3.500 . 5.500 2.714 2.714 2.714 . 0 0 "[ ]" 1
343 1 37 LEU H 1 37 LEU MD2 3.700 . 5.500 4.226 4.226 4.226 . 0 0 "[ ]" 1
344 1 37 LEU H 1 37 LEU HG 3.500 . 5.500 2.961 2.961 2.961 . 0 0 "[ ]" 1
345 1 37 LEU H 1 38 ALA H 2.700 . 4.200 4.195 4.195 4.195 . 0 0 "[ ]" 1
346 1 37 LEU HA 1 37 LEU HB2 2.100 . 3.000 3.037 3.037 3.037 0.037 1 0 "[ ]" 1
347 1 37 LEU HA 1 37 LEU MD2 2.300 . 3.400 3.338 3.338 3.338 . 0 0 "[ ]" 1
348 1 37 LEU HA 1 37 LEU HG 2.700 . 4.200 2.583 2.583 2.583 . 0 0 "[ ]" 1
349 1 37 LEU HA 1 38 ALA H 3.200 . 5.200 2.257 2.257 2.257 . 0 0 "[ ]" 1
350 1 37 LEU HB2 1 37 LEU MD1 1.900 . 2.600 2.036 2.036 2.036 . 0 0 "[ ]" 1
351 1 37 LEU HB2 1 37 LEU MD2 3.300 . 5.500 2.798 2.798 2.798 . 0 0 "[ ]" 1
352 1 37 LEU HB2 1 37 LEU HG 2.400 . 3.600 2.921 2.921 2.921 . 0 0 "[ ]" 1
353 1 37 LEU HB2 1 38 ALA MB 3.100 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1
354 1 38 ALA H 1 38 ALA MB 2.700 . 4.200 2.434 2.434 2.434 . 0 0 "[ ]" 1
355 1 38 ALA HA 1 38 ALA MB 1.800 . 2.400 2.148 2.148 2.148 . 0 0 "[ ]" 1
356 1 38 ALA HA 1 39 TYR H 2.100 . 3.000 2.418 2.418 2.418 . 0 0 "[ ]" 1
357 1 38 ALA MB 1 39 TYR H 2.600 . 4.000 2.366 2.366 2.366 . 0 0 "[ ]" 1
358 1 39 TYR H 1 39 TYR HB2 3.100 . 5.000 2.872 2.872 2.872 . 0 0 "[ ]" 1
359 1 39 TYR H 1 39 TYR QD 3.600 . 5.500 4.378 4.378 4.378 . 0 0 "[ ]" 1
360 1 39 TYR HA 1 39 TYR HB2 2.900 . 4.600 2.680 2.680 2.680 . 0 0 "[ ]" 1
361 1 39 TYR HB2 1 39 TYR QD 2.700 . 4.200 2.305 2.305 2.305 . 0 0 "[ ]" 1
362 1 39 TYR HB3 1 39 TYR QD 2.900 . 4.600 2.621 2.621 2.621 . 0 0 "[ ]" 1
363 1 40 SER H 1 40 SER HB3 3.900 . 5.500 3.549 3.549 3.549 . 0 0 "[ ]" 1
364 1 40 SER H 1 41 GLY H 2.600 . 4.500 4.363 4.363 4.363 . 0 0 "[ ]" 1
365 1 40 SER HA 1 40 SER HB2 2.400 . 3.600 2.607 2.607 2.607 . 0 0 "[ ]" 1
366 1 40 SER HA 1 40 SER HB3 2.500 . 3.800 2.376 2.376 2.376 . 0 0 "[ ]" 1
367 1 40 SER HA 1 41 GLY HA2 3.100 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
368 1 40 SER HA 1 41 GLY HA3 2.900 . 4.600 4.855 4.855 4.855 0.255 1 0 "[ ]" 1
369 1 41 GLY H 1 46 ASP HB3 3.200 . 5.200 4.510 4.510 4.510 . 0 0 "[ ]" 1
370 1 41 GLY HA2 1 42 TYR H 3.000 . 4.800 3.550 3.550 3.550 . 0 0 "[ ]" 1
371 1 41 GLY HA3 1 42 TYR H 2.900 . 4.600 2.385 2.385 2.385 . 0 0 "[ ]" 1
372 1 41 GLY HA3 1 46 ASP HB3 3.500 . 5.500 3.805 3.805 3.805 . 0 0 "[ ]" 1
373 1 42 TYR H 1 42 TYR HB2 3.000 . 4.800 3.105 3.105 3.105 . 0 0 "[ ]" 1
374 1 42 TYR H 1 42 TYR HB3 3.400 . 5.500 3.535 3.535 3.535 . 0 0 "[ ]" 1
375 1 42 TYR H 1 43 GLY H 3.300 . 5.500 2.742 2.742 2.742 . 0 0 "[ ]" 1
376 1 42 TYR H 1 45 THR H 3.200 . 5.200 4.225 4.225 4.225 . 0 0 "[ ]" 1
377 1 42 TYR H 1 47 ALA H 3.700 . 5.500 3.000 3.000 3.000 . 0 0 "[ ]" 1
378 1 42 TYR H 1 48 ARG HA 3.700 . 5.500 5.555 5.555 5.555 0.055 1 0 "[ ]" 1
379 1 42 TYR HA 1 42 TYR HB2 2.300 . 3.400 2.482 2.482 2.482 . 0 0 "[ ]" 1
380 1 42 TYR HA 1 42 TYR QD 2.500 . 4.500 2.016 2.016 2.016 . 0 0 "[ ]" 1
381 1 42 TYR HA 1 43 GLY H 2.200 . 3.200 3.118 3.118 3.118 . 0 0 "[ ]" 1
382 1 42 TYR HA 1 43 GLY HA3 3.400 . 5.500 4.611 4.611 4.611 . 0 0 "[ ]" 1
383 1 42 TYR HA 1 44 ASP H 3.200 . 5.200 5.020 5.020 5.020 . 0 0 "[ ]" 1
384 1 42 TYR HB2 1 42 TYR QD 2.700 . 4.200 2.736 2.736 2.736 . 0 0 "[ ]" 1
385 1 42 TYR HB3 1 42 TYR QD 2.500 . 3.800 2.316 2.316 2.316 . 0 0 "[ ]" 1
386 1 42 TYR QD 1 43 GLY H 3.500 . 5.500 4.654 4.654 4.654 . 0 0 "[ ]" 1
387 1 43 GLY H 1 43 GLY HA2 2.900 . 4.600 2.638 2.638 2.638 . 0 0 "[ ]" 1
388 1 43 GLY H 1 43 GLY HA3 2.900 . 4.600 2.976 2.976 2.976 . 0 0 "[ ]" 1
389 1 43 GLY H 1 44 ASP H 2.900 . 4.600 1.924 1.924 1.924 . 0 0 "[ ]" 1
390 1 43 GLY HA3 1 44 ASP H 3.500 . 5.500 3.565 3.565 3.565 . 0 0 "[ ]" 1
391 1 44 ASP H 1 44 ASP HB2 3.300 . 5.500 4.047 4.047 4.047 . 0 0 "[ ]" 1
392 1 44 ASP H 1 44 ASP HB3 2.700 . 4.200 3.489 3.489 3.489 . 0 0 "[ ]" 1
393 1 44 ASP H 1 45 THR H 3.400 . 5.500 2.099 2.099 2.099 . 0 0 "[ ]" 1
394 1 44 ASP HA 1 44 ASP HB2 2.200 . 3.200 2.486 2.486 2.486 . 0 0 "[ ]" 1
395 1 44 ASP HA 1 44 ASP HB3 2.300 . 3.400 2.478 2.478 2.478 . 0 0 "[ ]" 1
396 1 45 THR H 1 45 THR HB 2.900 . 4.600 2.822 2.822 2.822 . 0 0 "[ ]" 1
397 1 45 THR H 1 45 THR MG 2.900 . 4.600 3.735 3.735 3.735 . 0 0 "[ ]" 1
398 1 45 THR H 1 46 ASP H 2.300 . 3.400 2.622 2.622 2.622 . 0 0 "[ ]" 1
399 1 45 THR HA 1 45 THR HB 2.000 . 2.800 2.967 2.967 2.967 0.167 1 0 "[ ]" 1
400 1 45 THR HA 1 45 THR MG 1.800 . 2.400 2.195 2.195 2.195 . 0 0 "[ ]" 1
401 1 45 THR HB 1 45 THR MG 1.900 . 2.600 2.137 2.137 2.137 . 0 0 "[ ]" 1
402 1 45 THR MG 1 46 ASP H 3.600 . 5.500 3.507 3.507 3.507 . 0 0 "[ ]" 1
403 1 46 ASP H 1 46 ASP HA 2.300 . 3.400 2.985 2.985 2.985 . 0 0 "[ ]" 1
404 1 46 ASP H 1 46 ASP HB2 2.700 . 4.200 2.349 2.349 2.349 . 0 0 "[ ]" 1
405 1 46 ASP H 1 46 ASP HB3 2.400 . 3.600 2.849 2.849 2.849 . 0 0 "[ ]" 1
406 1 46 ASP HA 1 46 ASP HB2 3.000 . 4.800 2.718 2.718 2.718 . 0 0 "[ ]" 1
407 1 46 ASP HA 1 46 ASP HB3 3.000 . 4.800 2.987 2.987 2.987 . 0 0 "[ ]" 1
408 1 46 ASP HB2 1 48 ARG H 4.200 . 5.500 3.828 3.828 3.828 . 0 0 "[ ]" 1
409 1 46 ASP HB2 1 48 ARG HA 4.200 . 5.500 5.652 5.652 5.652 0.152 1 0 "[ ]" 1
410 1 46 ASP HB3 1 48 ARG HG2 2.900 . 4.600 3.668 3.668 3.668 . 0 0 "[ ]" 1
411 1 46 ASP HB3 1 50 THR MG 3.000 . 4.800 4.879 4.879 4.879 0.079 1 0 "[ ]" 1
412 1 46 ASP HB3 1 82 MET H 4.200 . 5.500 5.514 5.514 5.514 0.014 1 0 "[ ]" 1
413 1 46 ASP HB3 1 99 TYR HB2 2.300 . 4.500 4.510 4.510 4.510 0.010 1 0 "[ ]" 1
414 1 46 ASP HB3 1 99 TYR QD 2.600 . 4.500 3.731 3.731 3.731 . 0 0 "[ ]" 1
415 1 47 ALA H 1 47 ALA HA 2.500 . 3.800 2.365 2.365 2.365 . 0 0 "[ ]" 1
416 1 47 ALA H 1 47 ALA MB 2.500 . 3.800 2.815 2.815 2.815 . 0 0 "[ ]" 1
417 1 47 ALA H 1 48 ARG H 3.600 . 5.500 2.650 2.650 2.650 . 0 0 "[ ]" 1
418 1 47 ALA MB 1 48 ARG H 3.100 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
419 1 48 ARG H 1 48 ARG HA 2.800 . 4.400 2.810 2.810 2.810 . 0 0 "[ ]" 1
420 1 48 ARG H 1 48 ARG HB2 2.600 . 4.000 2.163 2.163 2.163 . 0 0 "[ ]" 1
421 1 48 ARG H 1 48 ARG HD2 2.900 . 4.600 4.730 4.730 4.730 0.130 1 0 "[ ]" 1
422 1 48 ARG H 1 48 ARG HG2 3.000 . 4.800 3.844 3.844 3.844 . 0 0 "[ ]" 1
423 1 48 ARG H 1 49 VAL H 2.700 . 4.200 2.779 2.779 2.779 . 0 0 "[ ]" 1
424 1 48 ARG HA 1 48 ARG HB2 2.100 . 3.000 3.000 3.000 3.000 . 0 0 "[ ]" 1
425 1 48 ARG HA 1 48 ARG HD2 3.100 . 5.000 4.670 4.670 4.670 . 0 0 "[ ]" 1
426 1 48 ARG HA 1 48 ARG HG2 2.800 . 4.400 2.478 2.478 2.478 . 0 0 "[ ]" 1
427 1 48 ARG HA 1 49 VAL MG2 3.200 . 5.200 3.648 3.648 3.648 . 0 0 "[ ]" 1
428 1 48 ARG HA 1 50 THR H 3.400 . 5.500 4.991 4.991 4.991 . 0 0 "[ ]" 1
429 1 48 ARG HA 1 53 ILE HB 3.200 . 5.200 4.273 4.273 4.273 . 0 0 "[ ]" 1
430 1 48 ARG HB2 1 49 VAL H 2.900 . 4.600 3.166 3.166 3.166 . 0 0 "[ ]" 1
431 1 48 ARG HB2 1 50 THR HA 2.600 . 4.000 4.100 4.100 4.100 0.100 1 0 "[ ]" 1
432 1 48 ARG HG2 1 53 ILE MD 2.100 . 3.000 2.527 2.527 2.527 . 0 0 "[ ]" 1
433 1 48 ARG HG2 1 80 ASP HA 3.400 . 5.500 5.535 5.535 5.535 0.035 1 0 "[ ]" 1
434 1 48 ARG HG2 1 85 ARG HA 3.800 . 5.500 5.550 5.550 5.550 0.050 1 0 "[ ]" 1
435 1 48 ARG HG2 1 86 VAL MG2 3.000 . 4.800 4.787 4.787 4.787 . 0 0 "[ ]" 1
436 1 49 VAL H 1 49 VAL HA 2.500 . 3.800 2.363 2.363 2.363 . 0 0 "[ ]" 1
437 1 49 VAL H 1 49 VAL HB 2.200 . 4.500 3.669 3.669 3.669 . 0 0 "[ ]" 1
438 1 49 VAL H 1 49 VAL MG2 2.100 . 3.000 2.546 2.546 2.546 . 0 0 "[ ]" 1
439 1 49 VAL H 1 50 THR H 3.100 . 5.000 2.627 2.627 2.627 . 0 0 "[ ]" 1
440 1 49 VAL HA 1 49 VAL MG2 2.800 . 4.400 2.413 2.413 2.413 . 0 0 "[ ]" 1
441 1 49 VAL HA 1 52 ALA H 3.300 . 5.500 4.347 4.347 4.347 . 0 0 "[ ]" 1
442 1 49 VAL HA 1 52 ALA MB 2.100 . 4.500 4.356 4.356 4.356 . 0 0 "[ ]" 1
443 1 49 VAL HB 1 50 THR H 2.900 . 4.600 4.274 4.274 4.274 . 0 0 "[ ]" 1
444 1 49 VAL HB 1 52 ALA MB 3.400 . 5.500 2.846 2.846 2.846 . 0 0 "[ ]" 1
445 1 49 VAL MG2 1 50 THR H 3.600 . 5.500 4.227 4.227 4.227 . 0 0 "[ ]" 1
446 1 50 THR H 1 50 THR HB 3.200 . 5.200 3.558 3.558 3.558 . 0 0 "[ ]" 1
447 1 50 THR H 1 50 THR MG 2.900 . 4.600 1.954 1.954 1.954 . 0 0 "[ ]" 1
448 1 50 THR H 1 51 ALA H 3.300 . 5.500 3.147 3.147 3.147 . 0 0 "[ ]" 1
449 1 50 THR HA 1 50 THR HB 2.200 . 3.200 2.526 2.526 2.526 . 0 0 "[ ]" 1
450 1 50 THR HA 1 50 THR MG 2.200 . 3.200 2.272 2.272 2.272 . 0 0 "[ ]" 1
451 1 50 THR HA 1 53 ILE HB 3.100 . 5.000 4.360 4.360 4.360 . 0 0 "[ ]" 1
452 1 50 THR HA 1 53 ILE MD 3.100 . 5.000 3.495 3.495 3.495 . 0 0 "[ ]" 1
453 1 50 THR HB 1 50 THR MG 2.100 . 3.000 2.116 2.116 2.116 . 0 0 "[ ]" 1
454 1 50 THR HB 1 51 ALA H 3.300 . 5.500 3.672 3.672 3.672 . 0 0 "[ ]" 1
455 1 50 THR HB 1 51 ALA HA 3.000 . 4.800 4.454 4.454 4.454 . 0 0 "[ ]" 1
456 1 50 THR HB 1 53 ILE MD 3.900 . 5.500 5.509 5.509 5.509 0.009 1 0 "[ ]" 1
457 1 50 THR MG 1 51 ALA H 3.200 . 5.200 3.960 3.960 3.960 . 0 0 "[ ]" 1
458 1 50 THR MG 1 53 ILE MG 3.600 . 5.500 3.144 3.144 3.144 . 0 0 "[ ]" 1
459 1 51 ALA H 1 51 ALA MB 2.200 . 3.200 2.064 2.064 2.064 . 0 0 "[ ]" 1
460 1 51 ALA H 1 52 ALA H 3.100 . 5.000 2.882 2.882 2.882 . 0 0 "[ ]" 1
461 1 51 ALA HA 1 51 ALA MB 1.900 . 2.600 2.151 2.151 2.151 . 0 0 "[ ]" 1
462 1 51 ALA MB 1 52 ALA H 2.900 . 4.600 2.093 2.093 2.093 . 0 0 "[ ]" 1
463 1 52 ALA H 1 52 ALA HA 2.700 . 4.200 2.830 2.830 2.830 . 0 0 "[ ]" 1
464 1 52 ALA H 1 52 ALA MB 2.100 . 3.000 1.958 1.958 1.958 . 0 0 "[ ]" 1
465 1 52 ALA H 1 53 ILE H 2.600 . 4.000 2.822 2.822 2.822 . 0 0 "[ ]" 1
466 1 52 ALA H 1 53 ILE HB 3.700 . 5.500 5.185 5.185 5.185 . 0 0 "[ ]" 1
467 1 52 ALA HA 1 52 ALA MB 1.900 . 2.600 2.133 2.133 2.133 . 0 0 "[ ]" 1
468 1 53 ILE H 1 53 ILE HA 2.500 . 3.800 2.890 2.890 2.890 . 0 0 "[ ]" 1
469 1 53 ILE H 1 53 ILE HB 2.000 . 2.800 2.499 2.499 2.499 . 0 0 "[ ]" 1
470 1 53 ILE H 1 53 ILE HG13 2.700 . 4.500 4.452 4.452 4.452 . 0 0 "[ ]" 1
471 1 53 ILE H 1 53 ILE MG 2.700 . 4.200 1.937 1.937 1.937 . 0 0 "[ ]" 1
472 1 53 ILE HA 1 53 ILE MD 3.100 . 5.000 3.859 3.859 3.859 . 0 0 "[ ]" 1
473 1 53 ILE HA 1 53 ILE MG 2.600 . 4.000 3.179 3.179 3.179 . 0 0 "[ ]" 1
474 1 53 ILE HA 1 57 ILE H 3.400 . 5.500 3.830 3.830 3.830 . 0 0 "[ ]" 1
475 1 53 ILE HB 1 53 ILE MD 2.900 . 4.600 2.446 2.446 2.446 . 0 0 "[ ]" 1
476 1 53 ILE HB 1 53 ILE MG 2.100 . 3.000 2.127 2.127 2.127 . 0 0 "[ ]" 1
477 1 53 ILE MD 1 53 ILE HG12 2.300 . 3.400 2.132 2.132 2.132 . 0 0 "[ ]" 1
478 1 53 ILE MD 1 53 ILE HG13 2.100 . 3.000 2.135 2.135 2.135 . 0 0 "[ ]" 1
479 1 53 ILE MD 1 54 ALA HA 2.800 . 4.500 4.564 4.564 4.564 0.064 1 0 "[ ]" 1
480 1 53 ILE MD 1 57 ILE MD 2.600 . 4.000 2.385 2.385 2.385 . 0 0 "[ ]" 1
481 1 53 ILE HG13 1 57 ILE HA 3.000 . 4.800 4.990 4.990 4.990 0.190 1 0 "[ ]" 1
482 1 53 ILE MG 1 56 ASN HB2 3.800 . 5.500 4.935 4.935 4.935 . 0 0 "[ ]" 1
483 1 53 ILE MG 1 57 ILE MD 2.700 . 4.200 2.742 2.742 2.742 . 0 0 "[ ]" 1
484 1 53 ILE MG 1 79 MET ME 2.200 . 4.500 4.220 4.220 4.220 . 0 0 "[ ]" 1
485 1 54 ALA H 1 54 ALA HA 2.500 . 3.800 2.888 2.888 2.888 . 0 0 "[ ]" 1
486 1 54 ALA H 1 54 ALA MB 2.100 . 3.000 2.018 2.018 2.018 . 0 0 "[ ]" 1
487 1 54 ALA H 1 55 SER H 2.700 . 4.200 2.773 2.773 2.773 . 0 0 "[ ]" 1
488 1 54 ALA HA 1 54 ALA MB 2.300 . 3.400 2.145 2.145 2.145 . 0 0 "[ ]" 1
489 1 54 ALA HA 1 55 SER H 2.900 . 4.600 3.590 3.590 3.590 . 0 0 "[ ]" 1
490 1 54 ALA HA 1 57 ILE HB 3.200 . 5.200 2.315 2.315 2.315 . 0 0 "[ ]" 1
491 1 54 ALA HA 1 57 ILE MD 3.200 . 5.200 2.541 2.541 2.541 . 0 0 "[ ]" 1
492 1 54 ALA HA 1 57 ILE MG 2.300 . 3.400 3.337 3.337 3.337 . 0 0 "[ ]" 1
493 1 54 ALA MB 1 55 SER H 2.400 . 3.600 2.272 2.272 2.272 . 0 0 "[ ]" 1
494 1 54 ALA MB 1 55 SER HB2 3.900 . 5.500 3.749 3.749 3.749 . 0 0 "[ ]" 1
495 1 55 SER H 1 55 SER HA 3.000 . 4.800 2.846 2.846 2.846 . 0 0 "[ ]" 1
496 1 55 SER H 1 55 SER HB2 2.200 . 3.200 2.214 2.214 2.214 . 0 0 "[ ]" 1
497 1 55 SER H 1 57 ILE HB 3.700 . 5.500 4.643 4.643 4.643 . 0 0 "[ ]" 1
498 1 55 SER HA 1 55 SER HB2 2.000 . 2.800 2.585 2.585 2.585 . 0 0 "[ ]" 1
499 1 55 SER HA 1 56 ASN H 3.100 . 5.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
500 1 55 SER HA 1 57 ILE H 2.100 . 4.500 4.217 4.217 4.217 . 0 0 "[ ]" 1
501 1 56 ASN H 1 56 ASN HA 3.000 . 4.800 2.904 2.904 2.904 . 0 0 "[ ]" 1
502 1 56 ASN H 1 56 ASN HB2 2.800 . 4.400 1.962 1.962 1.962 . 0 0 "[ ]" 1
503 1 56 ASN H 1 56 ASN HB3 3.100 . 5.000 3.295 3.295 3.295 . 0 0 "[ ]" 1
504 1 56 ASN H 1 57 ILE H 2.800 . 4.400 2.513 2.513 2.513 . 0 0 "[ ]" 1
505 1 56 ASN HA 1 56 ASN HB3 2.600 . 4.000 2.794 2.794 2.794 . 0 0 "[ ]" 1
506 1 56 ASN HA 1 57 ILE H 3.400 . 5.500 3.515 3.515 3.515 . 0 0 "[ ]" 1
507 1 56 ASN HA 1 60 ALA MB 2.000 . 2.800 2.761 2.761 2.761 . 0 0 "[ ]" 1
508 1 56 ASN HB2 1 79 MET ME 3.500 . 5.500 3.780 3.780 3.780 . 0 0 "[ ]" 1
509 1 56 ASN HB3 1 79 MET ME 2.500 . 3.800 2.782 2.782 2.782 . 0 0 "[ ]" 1
510 1 57 ILE H 1 57 ILE HB 2.100 . 3.000 1.981 1.981 1.981 . 0 0 "[ ]" 1
511 1 57 ILE H 1 57 ILE MG 2.800 . 4.400 3.475 3.475 3.475 . 0 0 "[ ]" 1
512 1 57 ILE H 1 58 TRP H 2.800 . 4.400 2.882 2.882 2.882 . 0 0 "[ ]" 1
513 1 57 ILE H 1 60 ALA H 3.100 . 5.000 4.755 4.755 4.755 . 0 0 "[ ]" 1
514 1 57 ILE HA 1 57 ILE HB 2.500 . 3.800 2.955 2.955 2.955 . 0 0 "[ ]" 1
515 1 57 ILE HA 1 57 ILE MD 2.900 . 4.600 3.713 3.713 3.713 . 0 0 "[ ]" 1
516 1 57 ILE HA 1 57 ILE MG 2.700 . 4.200 2.848 2.848 2.848 . 0 0 "[ ]" 1
517 1 57 ILE HA 1 60 ALA MB 2.500 . 3.800 3.554 3.554 3.554 . 0 0 "[ ]" 1
518 1 57 ILE HB 1 57 ILE MD 2.300 . 3.400 2.341 2.341 2.341 . 0 0 "[ ]" 1
519 1 57 ILE HB 1 77 ILE MG 2.200 . 4.500 3.746 3.746 3.746 . 0 0 "[ ]" 1
520 1 57 ILE HB 1 57 ILE MG 2.200 . 3.200 2.153 2.153 2.153 . 0 0 "[ ]" 1
521 1 57 ILE HB 1 58 TRP H 2.900 . 4.600 2.692 2.692 2.692 . 0 0 "[ ]" 1
522 1 57 ILE MD 1 57 ILE HG12 1.900 . 2.600 2.108 2.108 2.108 . 0 0 "[ ]" 1
523 1 57 ILE MD 1 57 ILE MG 1.800 . 2.400 1.730 1.730 1.730 . 0 0 "[ ]" 1
524 1 57 ILE MD 1 79 MET ME 2.400 . 3.600 3.069 3.069 3.069 . 0 0 "[ ]" 1
525 1 57 ILE MD 1 86 VAL MG2 2.600 . 4.000 2.507 2.507 2.507 . 0 0 "[ ]" 1
526 1 57 ILE MD 1 97 CYS HB3 3.200 . 5.200 4.448 4.448 4.448 . 0 0 "[ ]" 1
527 1 57 ILE HG12 1 57 ILE MG 2.200 . 3.200 2.378 2.378 2.378 . 0 0 "[ ]" 1
528 1 57 ILE HG12 1 61 TYR HB2 3.500 . 5.500 4.804 4.804 4.804 . 0 0 "[ ]" 1
529 1 57 ILE HG12 1 79 MET ME 2.200 . 3.200 1.918 1.918 1.918 . 0 0 "[ ]" 1
530 1 57 ILE HG12 1 86 VAL MG1 3.200 . 5.200 2.977 2.977 2.977 . 0 0 "[ ]" 1
531 1 57 ILE MG 1 77 ILE HB 3.300 . 5.500 3.685 3.685 3.685 . 0 0 "[ ]" 1
532 1 57 ILE MG 1 88 ILE MD 2.800 . 4.400 1.894 1.894 1.894 . 0 0 "[ ]" 1
533 1 57 ILE MG 1 88 ILE MG 2.600 . 4.000 1.853 1.853 1.853 . 0 0 "[ ]" 1
534 1 57 ILE MG 1 97 CYS HB2 3.300 . 5.500 4.039 4.039 4.039 . 0 0 "[ ]" 1
535 1 58 TRP H 1 60 ALA H 3.900 . 5.500 4.815 4.815 4.815 . 0 0 "[ ]" 1
536 1 58 TRP H 1 61 TYR H 3.300 . 5.500 4.909 4.909 4.909 . 0 0 "[ ]" 1
537 1 58 TRP HA 1 58 TRP HB2 2.800 . 4.400 2.453 2.453 2.453 . 0 0 "[ ]" 1
538 1 58 TRP HA 1 58 TRP HB3 2.300 . 3.400 3.040 3.040 3.040 . 0 0 "[ ]" 1
539 1 58 TRP HB3 1 59 ALA MB 3.000 . 4.800 3.664 3.664 3.664 . 0 0 "[ ]" 1
540 1 58 TRP HE3 1 77 ILE MD 3.000 . 4.800 2.016 2.016 2.016 . 0 0 "[ ]" 1
541 1 58 TRP HE3 1 77 ILE MG 2.900 . 4.600 3.720 3.720 3.720 . 0 0 "[ ]" 1
542 1 58 TRP HE3 1 88 ILE MG 2.900 . 4.600 3.589 3.589 3.589 . 0 0 "[ ]" 1
543 1 58 TRP HE3 1 95 LEU MD1 3.000 . 4.800 3.193 3.193 3.193 . 0 0 "[ ]" 1
544 1 58 TRP HH2 1 68 ALA H 2.600 . 4.500 4.041 4.041 4.041 . 0 0 "[ ]" 1
545 1 58 TRP HZ2 1 67 GLN HG3 3.000 . 4.800 4.593 4.593 4.593 . 0 0 "[ ]" 1
546 1 58 TRP HZ2 1 68 ALA H 2.800 . 4.400 4.359 4.359 4.359 . 0 0 "[ ]" 1
547 1 58 TRP HZ2 1 69 PHE HA 3.900 . 5.500 5.522 5.522 5.522 0.022 1 0 "[ ]" 1
548 1 58 TRP HZ3 1 89 THR HA 4.300 . 5.500 5.499 5.499 5.499 . 0 0 "[ ]" 1
549 1 58 TRP HZ3 1 95 LEU MD1 2.400 . 3.600 3.482 3.482 3.482 . 0 0 "[ ]" 1
550 1 59 ALA H 1 59 ALA HA 2.300 . 3.400 2.889 2.889 2.889 . 0 0 "[ ]" 1
551 1 59 ALA H 1 59 ALA MB 1.900 . 2.600 2.134 2.134 2.134 . 0 0 "[ ]" 1
552 1 59 ALA H 1 61 TYR H 2.700 . 4.200 4.218 4.218 4.218 0.018 1 0 "[ ]" 1
553 1 59 ALA H 1 62 ASP H 2.800 . 4.400 4.448 4.448 4.448 0.048 1 0 "[ ]" 1
554 1 59 ALA HA 1 59 ALA MB 2.100 . 3.000 2.158 2.158 2.158 . 0 0 "[ ]" 1
555 1 59 ALA MB 1 62 ASP HB3 2.900 . 4.600 4.382 4.382 4.382 . 0 0 "[ ]" 1
556 1 60 ALA H 1 60 ALA HA 2.500 . 3.800 2.787 2.787 2.787 . 0 0 "[ ]" 1
557 1 60 ALA H 1 60 ALA MB 2.100 . 3.000 2.045 2.045 2.045 . 0 0 "[ ]" 1
558 1 60 ALA H 1 61 TYR H 2.900 . 4.600 3.009 3.009 3.009 . 0 0 "[ ]" 1
559 1 60 ALA H 1 61 TYR HB2 3.500 . 5.500 5.521 5.521 5.521 0.021 1 0 "[ ]" 1
560 1 60 ALA HA 1 60 ALA MB 2.100 . 3.000 2.143 2.143 2.143 . 0 0 "[ ]" 1
561 1 60 ALA HA 1 62 ASP HB3 3.200 . 5.200 5.228 5.228 5.228 0.028 1 0 "[ ]" 1
562 1 60 ALA MB 1 61 TYR HB2 3.300 . 5.500 3.863 3.863 3.863 . 0 0 "[ ]" 1
563 1 60 ALA MB 1 63 ARG HB2 3.200 . 5.200 5.197 5.197 5.197 . 0 0 "[ ]" 1
564 1 61 TYR H 1 61 TYR HB2 2.400 . 3.600 2.596 2.596 2.596 . 0 0 "[ ]" 1
565 1 61 TYR H 1 79 MET HG2 3.500 . 5.500 5.690 5.690 5.690 0.190 1 0 "[ ]" 1
566 1 61 TYR HA 1 61 TYR HB2 2.400 . 3.600 2.457 2.457 2.457 . 0 0 "[ ]" 1
567 1 61 TYR HA 1 61 TYR QD 2.700 . 4.200 2.723 2.723 2.723 . 0 0 "[ ]" 1
568 1 61 TYR HA 1 62 ASP H 4.000 . 5.500 3.516 3.516 3.516 . 0 0 "[ ]" 1
569 1 61 TYR HA 1 64 ASN H 3.500 . 5.500 3.763 3.763 3.763 . 0 0 "[ ]" 1
570 1 61 TYR HA 1 79 MET ME 3.300 . 5.500 5.352 5.352 5.352 . 0 0 "[ ]" 1
571 1 61 TYR HA 1 88 ILE MD 3.800 . 5.500 5.580 5.580 5.580 0.080 1 0 "[ ]" 1
572 1 61 TYR HB2 1 61 TYR QD 2.800 . 4.400 2.452 2.452 2.452 . 0 0 "[ ]" 1
573 1 61 TYR HB2 1 62 ASP H 2.900 . 4.600 4.070 4.070 4.070 . 0 0 "[ ]" 1
574 1 61 TYR HB2 1 79 MET ME 3.000 . 4.800 3.937 3.937 3.937 . 0 0 "[ ]" 1
575 1 61 TYR HB2 1 88 ILE HB 3.800 . 5.500 5.728 5.728 5.728 0.228 1 0 "[ ]" 1
576 1 61 TYR HB2 1 88 ILE MD 2.500 . 3.800 3.545 3.545 3.545 . 0 0 "[ ]" 1
577 1 61 TYR QD 1 79 MET ME 3.200 . 5.200 5.116 5.116 5.116 . 0 0 "[ ]" 1
578 1 61 TYR QD 1 88 ILE MD 2.800 . 4.400 4.069 4.069 4.069 . 0 0 "[ ]" 1
579 1 62 ASP H 1 62 ASP HB2 2.400 . 3.600 1.979 1.979 1.979 . 0 0 "[ ]" 1
580 1 62 ASP H 1 62 ASP HB3 2.900 . 4.600 3.077 3.077 3.077 . 0 0 "[ ]" 1
581 1 62 ASP H 1 63 ARG H 3.300 . 5.500 2.911 2.911 2.911 . 0 0 "[ ]" 1
582 1 62 ASP HA 1 62 ASP HB2 2.600 . 4.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
583 1 62 ASP HA 1 63 ARG H 3.400 . 5.500 3.584 3.584 3.584 . 0 0 "[ ]" 1
584 1 62 ASP HB3 1 63 ARG H 3.200 . 5.200 2.356 2.356 2.356 . 0 0 "[ ]" 1
585 1 62 ASP HB3 1 63 ARG HD2 2.700 . 4.200 4.201 4.201 4.201 0.001 1 0 "[ ]" 1
586 1 63 ARG H 1 63 ARG HA 2.500 . 3.800 2.932 2.932 2.932 . 0 0 "[ ]" 1
587 1 63 ARG H 1 63 ARG HB2 2.100 . 3.000 1.964 1.964 1.964 . 0 0 "[ ]" 1
588 1 63 ARG H 1 63 ARG HB3 2.200 . 3.200 3.225 3.225 3.225 0.025 1 0 "[ ]" 1
589 1 63 ARG H 1 64 ASN H 2.900 . 4.600 2.662 2.662 2.662 . 0 0 "[ ]" 1
590 1 63 ARG HA 1 63 ARG HB2 2.100 . 3.000 2.904 2.904 2.904 . 0 0 "[ ]" 1
591 1 63 ARG HA 1 63 ARG HD2 3.500 . 5.500 3.127 3.127 3.127 . 0 0 "[ ]" 1
592 1 63 ARG HA 1 63 ARG HG3 2.200 . 3.200 2.323 2.323 2.323 . 0 0 "[ ]" 1
593 1 63 ARG HA 1 64 ASN H 3.600 . 5.500 3.594 3.594 3.594 . 0 0 "[ ]" 1
594 1 63 ARG HB2 1 63 ARG HD3 1.900 . 2.600 2.599 2.599 2.599 . 0 0 "[ ]" 1
595 1 63 ARG HB2 1 63 ARG HG3 2.400 . 3.600 3.032 3.032 3.032 . 0 0 "[ ]" 1
596 1 63 ARG HB3 1 63 ARG HD3 3.300 . 5.500 3.572 3.572 3.572 . 0 0 "[ ]" 1
597 1 63 ARG HD3 1 67 GLN HB3 3.600 . 5.500 5.417 5.417 5.417 . 0 0 "[ ]" 1
598 1 64 ASN H 1 64 ASN HA 3.000 . 4.800 2.847 2.847 2.847 . 0 0 "[ ]" 1
599 1 64 ASN H 1 64 ASN HB2 2.400 . 3.600 2.067 2.067 2.067 . 0 0 "[ ]" 1
600 1 64 ASN H 1 64 ASN HB3 3.300 . 5.500 2.845 2.845 2.845 . 0 0 "[ ]" 1
601 1 64 ASN H 1 65 GLY H 2.900 . 4.600 2.761 2.761 2.761 . 0 0 "[ ]" 1
602 1 64 ASN HA 1 64 ASN HB2 2.600 . 4.000 2.675 2.675 2.675 . 0 0 "[ ]" 1
603 1 64 ASN HA 1 64 ASN HB3 2.300 . 3.400 3.000 3.000 3.000 . 0 0 "[ ]" 1
604 1 64 ASN HA 1 65 GLY H 3.100 . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
605 1 64 ASN HB2 1 65 GLY H 2.900 . 4.600 3.526 3.526 3.526 . 0 0 "[ ]" 1
606 1 65 GLY HA2 1 66 ASN H 2.800 . 4.400 3.532 3.532 3.532 . 0 0 "[ ]" 1
607 1 66 ASN H 1 66 ASN HA 2.800 . 4.400 2.902 2.902 2.902 . 0 0 "[ ]" 1
608 1 66 ASN H 1 66 ASN HB2 3.100 . 5.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
609 1 66 ASN H 1 66 ASN HB3 3.100 . 5.000 2.939 2.939 2.939 . 0 0 "[ ]" 1
610 1 66 ASN H 1 67 GLN H 2.700 . 4.200 4.279 4.279 4.279 0.079 1 0 "[ ]" 1
611 1 66 ASN HA 1 66 ASN HB2 2.400 . 3.600 2.443 2.443 2.443 . 0 0 "[ ]" 1
612 1 66 ASN HA 1 66 ASN HB3 2.500 . 3.800 3.041 3.041 3.041 . 0 0 "[ ]" 1
613 1 66 ASN HA 1 67 GLN H 2.400 . 3.600 2.297 2.297 2.297 . 0 0 "[ ]" 1
614 1 66 ASN HA 1 67 GLN HB3 3.000 . 4.800 4.465 4.465 4.465 . 0 0 "[ ]" 1
615 1 66 ASN HB2 1 67 GLN H 2.900 . 4.600 4.038 4.038 4.038 . 0 0 "[ ]" 1
616 1 66 ASN HB3 1 67 GLN H 2.600 . 4.000 3.994 3.994 3.994 . 0 0 "[ ]" 1
617 1 67 GLN H 1 67 GLN HA 2.400 . 3.600 2.992 2.992 2.992 . 0 0 "[ ]" 1
618 1 67 GLN H 1 67 GLN HB2 2.600 . 4.000 2.899 2.899 2.899 . 0 0 "[ ]" 1
619 1 67 GLN HA 1 67 GLN HB2 2.300 . 3.400 2.448 2.448 2.448 . 0 0 "[ ]" 1
620 1 67 GLN HA 1 67 GLN HB3 2.200 . 3.200 3.041 3.041 3.041 . 0 0 "[ ]" 1
621 1 67 GLN HA 1 67 GLN HG3 2.100 . 3.000 2.415 2.415 2.415 . 0 0 "[ ]" 1
622 1 67 GLN HB2 1 67 GLN HG3 2.100 . 3.000 2.738 2.738 2.738 . 0 0 "[ ]" 1
623 1 67 GLN HB3 1 67 GLN HG3 2.100 . 3.000 2.954 2.954 2.954 . 0 0 "[ ]" 1
624 1 67 GLN HB3 1 68 ALA H 2.800 . 4.400 4.006 4.006 4.006 . 0 0 "[ ]" 1
625 1 67 GLN HG3 1 68 ALA HA 2.300 . 4.500 4.340 4.340 4.340 . 0 0 "[ ]" 1
626 1 68 ALA H 1 68 ALA HA 2.900 . 4.600 3.001 3.001 3.001 . 0 0 "[ ]" 1
627 1 68 ALA H 1 68 ALA MB 2.100 . 3.000 2.201 2.201 2.201 . 0 0 "[ ]" 1
628 1 68 ALA HA 1 68 ALA MB 2.000 . 2.800 2.137 2.137 2.137 . 0 0 "[ ]" 1
629 1 68 ALA HA 1 69 PHE H 3.100 . 5.000 2.713 2.713 2.713 . 0 0 "[ ]" 1
630 1 68 ALA MB 1 69 PHE H 3.500 . 5.500 2.047 2.047 2.047 . 0 0 "[ ]" 1
631 1 68 ALA MB 1 69 PHE QD 3.000 . 4.800 3.982 3.982 3.982 . 0 0 "[ ]" 1
632 1 68 ALA MB 1 71 GLU HB3 3.500 . 5.500 4.714 4.714 4.714 . 0 0 "[ ]" 1
633 1 68 ALA MB 1 74 LEU MD2 3.100 . 5.000 4.960 4.960 4.960 . 0 0 "[ ]" 1
634 1 68 ALA MB 1 77 ILE MD 2.600 . 4.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
635 1 69 PHE H 1 69 PHE HB2 2.900 . 4.600 2.661 2.661 2.661 . 0 0 "[ ]" 1
636 1 69 PHE H 1 69 PHE QD 3.900 . 5.500 3.071 3.071 3.071 . 0 0 "[ ]" 1
637 1 69 PHE H 1 70 ASN H 3.600 . 5.500 2.889 2.889 2.889 . 0 0 "[ ]" 1
638 1 69 PHE HA 1 69 PHE HB2 2.200 . 3.200 3.035 3.035 3.035 . 0 0 "[ ]" 1
639 1 69 PHE HA 1 69 PHE QD 2.200 . 3.200 2.904 2.904 2.904 . 0 0 "[ ]" 1
640 1 69 PHE HB2 1 69 PHE QD 2.600 . 4.000 2.420 2.420 2.420 . 0 0 "[ ]" 1
641 1 69 PHE HB2 1 70 ASN H 3.500 . 5.500 1.985 1.985 1.985 . 0 0 "[ ]" 1
642 1 69 PHE HB3 1 69 PHE QD 2.300 . 3.400 2.406 2.406 2.406 . 0 0 "[ ]" 1
643 1 69 PHE HB3 1 70 ASN H 3.600 . 5.500 2.513 2.513 2.513 . 0 0 "[ ]" 1
644 1 70 ASN H 1 70 ASN HA 2.600 . 4.000 3.001 3.001 3.001 . 0 0 "[ ]" 1
645 1 70 ASN H 1 70 ASN HB2 2.800 . 4.400 2.814 2.814 2.814 . 0 0 "[ ]" 1
646 1 70 ASN HA 1 70 ASN HB2 1.900 . 2.600 2.544 2.544 2.544 . 0 0 "[ ]" 1
647 1 70 ASN HA 1 72 ASP HB2 3.100 . 5.000 5.007 5.007 5.007 0.007 1 0 "[ ]" 1
648 1 71 GLU H 1 71 GLU HA 2.900 . 4.600 2.934 2.934 2.934 . 0 0 "[ ]" 1
649 1 71 GLU H 1 71 GLU HB2 3.000 . 4.800 2.766 2.766 2.766 . 0 0 "[ ]" 1
650 1 71 GLU H 1 71 GLU HB3 2.700 . 4.200 3.613 3.613 3.613 . 0 0 "[ ]" 1
651 1 71 GLU HA 1 71 GLU HB2 2.000 . 2.800 2.900 2.900 2.900 0.100 1 0 "[ ]" 1
652 1 71 GLU HA 1 71 GLU HB3 2.400 . 3.600 2.788 2.788 2.788 . 0 0 "[ ]" 1
653 1 71 GLU HA 1 71 GLU HG2 2.100 . 3.000 3.098 3.098 3.098 0.098 1 0 "[ ]" 1
654 1 71 GLU HA 1 72 ASP HB2 3.400 . 5.500 4.193 4.193 4.193 . 0 0 "[ ]" 1
655 1 71 GLU HB2 1 71 GLU HG2 1.900 . 2.600 2.828 2.828 2.828 0.228 1 0 "[ ]" 1
656 1 71 GLU HB3 1 71 GLU HG2 2.400 . 3.600 2.224 2.224 2.224 . 0 0 "[ ]" 1
657 1 71 GLU HB3 1 74 LEU MD2 3.300 . 5.500 5.130 5.130 5.130 . 0 0 "[ ]" 1
658 1 71 GLU HG2 1 74 LEU MD1 3.300 . 5.500 3.088 3.088 3.088 . 0 0 "[ ]" 1
659 1 72 ASP H 1 72 ASP HA 2.400 . 3.600 2.362 2.362 2.362 . 0 0 "[ ]" 1
660 1 72 ASP H 1 72 ASP HB3 2.600 . 4.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
661 1 72 ASP H 1 73 SER H 3.500 . 5.500 2.802 2.802 2.802 . 0 0 "[ ]" 1
662 1 72 ASP HA 1 72 ASP HB2 2.600 . 4.000 2.830 2.830 2.830 . 0 0 "[ ]" 1
663 1 72 ASP HA 1 72 ASP HB3 2.300 . 3.400 2.901 2.901 2.901 . 0 0 "[ ]" 1
664 1 72 ASP HA 1 73 SER H 2.800 . 4.400 3.091 3.091 3.091 . 0 0 "[ ]" 1
665 1 72 ASP HA 1 74 LEU H 3.500 . 5.500 4.208 4.208 4.208 . 0 0 "[ ]" 1
666 1 72 ASP HB2 1 73 SER H 3.800 . 5.500 4.173 4.173 4.173 . 0 0 "[ ]" 1
667 1 73 SER H 1 73 SER HA 2.900 . 4.600 2.939 2.939 2.939 . 0 0 "[ ]" 1
668 1 73 SER H 1 73 SER HB3 3.000 . 4.800 3.962 3.962 3.962 . 0 0 "[ ]" 1
669 1 73 SER H 1 74 LEU H 3.700 . 5.500 1.926 1.926 1.926 . 0 0 "[ ]" 1
670 1 73 SER HA 1 73 SER HB3 1.900 . 2.600 2.447 2.447 2.447 . 0 0 "[ ]" 1
671 1 73 SER HA 1 74 LEU H 3.100 . 5.000 3.087 3.087 3.087 . 0 0 "[ ]" 1
672 1 73 SER HA 1 114 GLN HB2 1.900 . 4.500 4.506 4.506 4.506 0.006 1 0 "[ ]" 1
673 1 73 SER HA 1 114 GLN HB3 3.200 . 5.200 5.209 5.209 5.209 0.009 1 0 "[ ]" 1
674 1 73 SER HB3 1 74 LEU H 3.700 . 5.500 4.507 4.507 4.507 . 0 0 "[ ]" 1
675 1 74 LEU H 1 74 LEU HA 2.900 . 4.600 2.921 2.921 2.921 . 0 0 "[ ]" 1
676 1 74 LEU H 1 74 LEU HB2 2.700 . 4.200 3.005 3.005 3.005 . 0 0 "[ ]" 1
677 1 74 LEU HA 1 74 LEU HB2 2.000 . 2.800 2.721 2.721 2.721 . 0 0 "[ ]" 1
678 1 74 LEU HA 1 74 LEU MD1 2.800 . 4.400 3.729 3.729 3.729 . 0 0 "[ ]" 1
679 1 74 LEU HA 1 74 LEU MD2 2.100 . 3.000 2.014 2.014 2.014 . 0 0 "[ ]" 1
680 1 74 LEU HA 1 75 LYS H 2.700 . 4.200 3.084 3.084 3.084 . 0 0 "[ ]" 1
681 1 74 LEU HB2 1 74 LEU MD1 2.100 . 3.000 2.466 2.466 2.466 . 0 0 "[ ]" 1
682 1 74 LEU HB2 1 74 LEU MD2 2.200 . 3.200 3.206 3.206 3.206 0.006 1 0 "[ ]" 1
683 1 74 LEU MD1 1 75 LYS H 3.200 . 5.200 5.422 5.422 5.422 0.222 1 0 "[ ]" 1
684 1 75 LYS H 1 75 LYS HB3 3.000 . 4.800 3.267 3.267 3.267 . 0 0 "[ ]" 1
685 1 75 LYS H 1 76 PHE H 4.200 . 5.500 3.689 3.689 3.689 . 0 0 "[ ]" 1
686 1 75 LYS HA 1 75 LYS HB3 2.100 . 3.000 2.810 2.810 2.810 . 0 0 "[ ]" 1
687 1 75 LYS HA 1 76 PHE H 2.800 . 4.400 2.563 2.563 2.563 . 0 0 "[ ]" 1
688 1 75 LYS HB3 1 90 ARG HG3 2.000 . 4.500 4.546 4.546 4.546 0.046 1 0 "[ ]" 1
689 1 76 PHE H 1 76 PHE HB2 3.500 . 5.500 2.338 2.338 2.338 . 0 0 "[ ]" 1
690 1 76 PHE HA 1 76 PHE QD 3.100 . 5.000 2.292 2.292 2.292 . 0 0 "[ ]" 1
691 1 76 PHE HA 1 77 ILE H 2.700 . 4.200 2.171 2.171 2.171 . 0 0 "[ ]" 1
692 1 76 PHE HA 1 89 THR HA 3.100 . 5.000 2.215 2.215 2.215 . 0 0 "[ ]" 1
693 1 76 PHE HA 1 90 ARG H 3.700 . 5.500 3.429 3.429 3.429 . 0 0 "[ ]" 1
694 1 76 PHE HB2 1 76 PHE QD 2.700 . 4.200 2.612 2.612 2.612 . 0 0 "[ ]" 1
695 1 76 PHE HB2 1 110 LYS HD3 2.100 . 4.500 3.036 3.036 3.036 . 0 0 "[ ]" 1
696 1 76 PHE HB3 1 76 PHE QD 2.500 . 3.800 2.305 2.305 2.305 . 0 0 "[ ]" 1
697 1 76 PHE HB3 1 77 ILE H 3.700 . 5.500 4.189 4.189 4.189 . 0 0 "[ ]" 1
698 1 76 PHE HB3 1 78 LEU MD1 3.400 . 5.500 4.495 4.495 4.495 . 0 0 "[ ]" 1
699 1 76 PHE HB3 1 78 LEU MD2 3.300 . 5.500 5.476 5.476 5.476 . 0 0 "[ ]" 1
700 1 76 PHE HB3 1 110 LYS HA 3.100 . 5.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
701 1 76 PHE QD 1 78 LEU MD1 3.600 . 5.500 3.156 3.156 3.156 . 0 0 "[ ]" 1
702 1 76 PHE QE 1 78 LEU MD1 3.000 . 4.800 2.324 2.324 2.324 . 0 0 "[ ]" 1
703 1 76 PHE QE 1 78 LEU MD2 2.900 . 4.600 2.156 2.156 2.156 . 0 0 "[ ]" 1
704 1 76 PHE QE 1 87 ALA MB 2.600 . 4.500 3.691 3.691 3.691 . 0 0 "[ ]" 1
705 1 76 PHE QE 1 110 LYS HA 3.800 . 5.500 3.643 3.643 3.643 . 0 0 "[ ]" 1
706 1 77 ILE H 1 77 ILE HB 3.800 . 5.500 2.415 2.415 2.415 . 0 0 "[ ]" 1
707 1 77 ILE H 1 88 ILE H 3.100 . 5.000 4.099 4.099 4.099 . 0 0 "[ ]" 1
708 1 77 ILE HA 1 77 ILE MD 3.600 . 5.500 3.541 3.541 3.541 . 0 0 "[ ]" 1
709 1 77 ILE HA 1 77 ILE HG12 3.100 . 5.000 3.256 3.256 3.256 . 0 0 "[ ]" 1
710 1 77 ILE HA 1 77 ILE MG 2.100 . 3.000 2.498 2.498 2.498 . 0 0 "[ ]" 1
711 1 77 ILE HA 1 78 LEU H 2.100 . 3.000 2.287 2.287 2.287 . 0 0 "[ ]" 1
712 1 77 ILE HA 1 78 LEU MD1 2.400 . 3.600 3.624 3.624 3.624 0.024 1 0 "[ ]" 1
713 1 77 ILE HB 1 77 ILE MD 2.200 . 3.200 2.060 2.060 2.060 . 0 0 "[ ]" 1
714 1 77 ILE HB 1 77 ILE HG12 3.000 . 4.800 2.815 2.815 2.815 . 0 0 "[ ]" 1
715 1 77 ILE HB 1 77 ILE MG 2.100 . 3.000 2.107 2.107 2.107 . 0 0 "[ ]" 1
716 1 77 ILE HB 1 78 LEU H 3.600 . 5.500 4.184 4.184 4.184 . 0 0 "[ ]" 1
717 1 77 ILE HB 1 90 ARG H 3.400 . 5.500 4.601 4.601 4.601 . 0 0 "[ ]" 1
718 1 77 ILE MD 1 77 ILE HG12 2.100 . 3.000 2.135 2.135 2.135 . 0 0 "[ ]" 1
719 1 77 ILE MD 1 77 ILE MG 2.300 . 3.400 2.936 2.936 2.936 . 0 0 "[ ]" 1
720 1 77 ILE HG12 1 77 ILE MG 3.000 . 4.800 1.897 1.897 1.897 . 0 0 "[ ]" 1
721 1 77 ILE MG 1 90 ARG HD3 3.300 . 5.500 5.567 5.567 5.567 0.067 1 0 "[ ]" 1
722 1 78 LEU H 1 78 LEU HB2 3.000 . 4.800 2.450 2.450 2.450 . 0 0 "[ ]" 1
723 1 78 LEU H 1 78 LEU HB3 2.900 . 4.600 3.379 3.379 3.379 . 0 0 "[ ]" 1
724 1 78 LEU H 1 78 LEU MD1 3.700 . 5.500 3.241 3.241 3.241 . 0 0 "[ ]" 1
725 1 78 LEU H 1 78 LEU MD2 3.400 . 5.500 4.396 4.396 4.396 . 0 0 "[ ]" 1
726 1 78 LEU HA 1 78 LEU HB2 3.000 . 4.800 2.903 2.903 2.903 . 0 0 "[ ]" 1
727 1 78 LEU HA 1 78 LEU MD1 2.100 . 3.000 2.093 2.093 2.093 . 0 0 "[ ]" 1
728 1 78 LEU HA 1 78 LEU MD2 3.000 . 4.800 3.706 3.706 3.706 . 0 0 "[ ]" 1
729 1 78 LEU HA 1 79 MET H 2.100 . 3.000 2.260 2.260 2.260 . 0 0 "[ ]" 1
730 1 78 LEU HA 1 87 ALA HA 2.300 . 3.400 2.934 2.934 2.934 . 0 0 "[ ]" 1
731 1 78 LEU HA 1 87 ALA MB 3.600 . 5.500 4.450 4.450 4.450 . 0 0 "[ ]" 1
732 1 78 LEU HA 1 88 ILE H 3.000 . 4.800 2.428 2.428 2.428 . 0 0 "[ ]" 1
733 1 78 LEU HB2 1 78 LEU MD2 2.300 . 3.400 2.383 2.383 2.383 . 0 0 "[ ]" 1
734 1 78 LEU HB2 1 79 MET H 3.800 . 5.500 4.389 4.389 4.389 . 0 0 "[ ]" 1
735 1 78 LEU HB2 1 88 ILE H 3.500 . 5.500 4.843 4.843 4.843 . 0 0 "[ ]" 1
736 1 78 LEU HB3 1 78 LEU MD1 2.200 . 3.200 3.191 3.191 3.191 . 0 0 "[ ]" 1
737 1 78 LEU HB3 1 88 ILE H 3.700 . 5.500 5.136 5.136 5.136 . 0 0 "[ ]" 1
738 1 78 LEU MD1 1 79 MET H 3.700 . 5.500 3.809 3.809 3.809 . 0 0 "[ ]" 1
739 1 78 LEU MD1 1 87 ALA HA 3.100 . 5.000 2.002 2.002 2.002 . 0 0 "[ ]" 1
740 1 78 LEU MD1 1 87 ALA MB 2.200 . 3.200 2.757 2.757 2.757 . 0 0 "[ ]" 1
741 1 78 LEU MD2 1 79 MET H 3.400 . 5.500 4.557 4.557 4.557 . 0 0 "[ ]" 1
742 1 78 LEU MD2 1 87 ALA HA 3.400 . 5.500 3.935 3.935 3.935 . 0 0 "[ ]" 1
743 1 78 LEU MD2 1 87 ALA MB 2.000 . 4.500 3.699 3.699 3.699 . 0 0 "[ ]" 1
744 1 78 LEU MD2 1 106 PHE HA 2.000 . 2.800 2.443 2.443 2.443 . 0 0 "[ ]" 1
745 1 78 LEU MD2 1 106 PHE HB2 3.300 . 5.500 4.157 4.157 4.157 . 0 0 "[ ]" 1
746 1 78 LEU MD2 1 106 PHE QD 2.100 . 4.500 2.960 2.960 2.960 . 0 0 "[ ]" 1
747 1 78 LEU MD2 1 110 LYS HD3 3.400 . 5.500 5.519 5.519 5.519 0.019 1 0 "[ ]" 1
748 1 79 MET H 1 79 MET HB2 3.000 . 4.800 2.957 2.957 2.957 . 0 0 "[ ]" 1
749 1 79 MET H 1 79 MET HG2 3.900 . 5.500 4.528 4.528 4.528 . 0 0 "[ ]" 1
750 1 79 MET H 1 79 MET HG3 3.300 . 5.500 4.891 4.891 4.891 . 0 0 "[ ]" 1
751 1 79 MET H 1 86 VAL H 3.000 . 4.800 3.565 3.565 3.565 . 0 0 "[ ]" 1
752 1 79 MET H 1 87 ALA HA 3.000 . 4.800 3.766 3.766 3.766 . 0 0 "[ ]" 1
753 1 79 MET HA 1 79 MET HB2 2.400 . 3.600 2.738 2.738 2.738 . 0 0 "[ ]" 1
754 1 79 MET HA 1 80 ASP H 2.100 . 3.000 2.460 2.460 2.460 . 0 0 "[ ]" 1
755 1 79 MET HB2 1 79 MET HG2 3.000 . 4.800 2.850 2.850 2.850 . 0 0 "[ ]" 1
756 1 79 MET HB2 1 80 ASP H 2.900 . 4.600 4.120 4.120 4.120 . 0 0 "[ ]" 1
757 1 79 MET HB2 1 86 VAL MG1 3.400 . 5.500 3.399 3.399 3.399 . 0 0 "[ ]" 1
758 1 79 MET ME 1 79 MET HG2 3.200 . 5.200 3.340 3.340 3.340 . 0 0 "[ ]" 1
759 1 79 MET ME 1 86 VAL HB 3.300 . 5.500 5.534 5.534 5.534 0.034 1 0 "[ ]" 1
760 1 79 MET ME 1 86 VAL MG1 2.300 . 3.400 3.240 3.240 3.240 . 0 0 "[ ]" 1
761 1 79 MET ME 1 88 ILE MD 2.200 . 3.200 3.030 3.030 3.030 . 0 0 "[ ]" 1
762 1 80 ASP H 1 80 ASP HB2 3.500 . 5.500 3.734 3.734 3.734 . 0 0 "[ ]" 1
763 1 80 ASP H 1 80 ASP HB3 2.900 . 4.600 3.093 3.093 3.093 . 0 0 "[ ]" 1
764 1 80 ASP HA 1 80 ASP HB2 3.000 . 4.800 2.513 2.513 2.513 . 0 0 "[ ]" 1
765 1 80 ASP HA 1 80 ASP HB3 3.000 . 4.800 2.456 2.456 2.456 . 0 0 "[ ]" 1
766 1 80 ASP HA 1 85 ARG HA 2.000 . 2.800 2.157 2.157 2.157 . 0 0 "[ ]" 1
767 1 80 ASP HA 1 85 ARG HB3 3.100 . 5.000 2.693 2.693 2.693 . 0 0 "[ ]" 1
768 1 80 ASP HA 1 86 VAL MG1 3.500 . 5.500 2.982 2.982 2.982 . 0 0 "[ ]" 1
769 1 82 MET H 1 82 MET HA 2.400 . 3.600 2.940 2.940 2.940 . 0 0 "[ ]" 1
770 1 82 MET H 1 84 GLY H 4.200 . 5.500 5.513 5.513 5.513 0.013 1 0 "[ ]" 1
771 1 84 GLY H 1 84 GLY HA3 2.500 . 3.800 2.956 2.956 2.956 . 0 0 "[ ]" 1
772 1 84 GLY H 1 99 TYR QE 2.900 . 4.600 4.548 4.548 4.548 . 0 0 "[ ]" 1
773 1 84 GLY HA2 1 85 ARG H 2.500 . 3.800 2.795 2.795 2.795 . 0 0 "[ ]" 1
774 1 84 GLY HA2 1 99 TYR QE 3.600 . 5.500 3.642 3.642 3.642 . 0 0 "[ ]" 1
775 1 85 ARG H 1 85 ARG HB2 3.400 . 5.500 2.803 2.803 2.803 . 0 0 "[ ]" 1
776 1 85 ARG H 1 100 ALA H 3.600 . 5.500 3.536 3.536 3.536 . 0 0 "[ ]" 1
777 1 85 ARG H 1 101 LYS HA 2.900 . 4.600 3.358 3.358 3.358 . 0 0 "[ ]" 1
778 1 85 ARG H 1 104 VAL MG2 3.500 . 5.500 3.992 3.992 3.992 . 0 0 "[ ]" 1
779 1 85 ARG HA 1 86 VAL H 3.300 . 5.500 2.531 2.531 2.531 . 0 0 "[ ]" 1
780 1 85 ARG HB2 1 104 VAL MG2 2.700 . 4.200 3.751 3.751 3.751 . 0 0 "[ ]" 1
781 1 85 ARG HB3 1 86 VAL H 3.700 . 5.500 2.426 2.426 2.426 . 0 0 "[ ]" 1
782 1 86 VAL H 1 86 VAL MG1 3.100 . 5.000 2.005 2.005 2.005 . 0 0 "[ ]" 1
783 1 86 VAL HA 1 86 VAL MG1 2.400 . 3.600 3.211 3.211 3.211 . 0 0 "[ ]" 1
784 1 86 VAL HA 1 86 VAL MG2 2.100 . 3.000 2.361 2.361 2.361 . 0 0 "[ ]" 1
785 1 86 VAL HA 1 87 ALA H 2.300 . 3.400 2.263 2.263 2.263 . 0 0 "[ ]" 1
786 1 86 VAL HA 1 99 TYR HA 2.300 . 3.400 2.051 2.051 2.051 . 0 0 "[ ]" 1
787 1 86 VAL HA 1 100 ALA MB 3.600 . 5.500 4.252 4.252 4.252 . 0 0 "[ ]" 1
788 1 86 VAL HB 1 86 VAL MG1 1.900 . 2.600 2.146 2.146 2.146 . 0 0 "[ ]" 1
789 1 86 VAL HB 1 86 VAL MG2 2.300 . 3.400 2.148 2.148 2.148 . 0 0 "[ ]" 1
790 1 86 VAL MG1 1 99 TYR HA 3.000 . 4.800 4.462 4.462 4.462 . 0 0 "[ ]" 1
791 1 86 VAL MG1 1 99 TYR HB2 3.300 . 5.500 5.070 5.070 5.070 . 0 0 "[ ]" 1
792 1 86 VAL MG2 1 87 ALA H 3.100 . 5.000 2.359 2.359 2.359 . 0 0 "[ ]" 1
793 1 86 VAL MG2 1 88 ILE MD 1.900 . 4.500 3.595 3.595 3.595 . 0 0 "[ ]" 1
794 1 86 VAL MG2 1 88 ILE HG13 2.100 . 4.500 2.649 2.649 2.649 . 0 0 "[ ]" 1
795 1 86 VAL MG2 1 98 MET H 3.200 . 5.200 2.297 2.297 2.297 . 0 0 "[ ]" 1
796 1 86 VAL MG2 1 98 MET HA 2.300 . 3.400 3.414 3.414 3.414 0.014 1 0 "[ ]" 1
797 1 86 VAL MG2 1 98 MET HB3 3.300 . 5.500 4.731 4.731 4.731 . 0 0 "[ ]" 1
798 1 86 VAL MG2 1 98 MET HG2 2.300 . 4.500 3.853 3.853 3.853 . 0 0 "[ ]" 1
799 1 86 VAL MG2 1 98 MET HG3 2.700 . 4.200 3.943 3.943 3.943 . 0 0 "[ ]" 1
800 1 86 VAL MG2 1 99 TYR H 3.600 . 5.500 3.449 3.449 3.449 . 0 0 "[ ]" 1
801 1 86 VAL MG2 1 99 TYR HA 2.100 . 3.000 2.760 2.760 2.760 . 0 0 "[ ]" 1
802 1 86 VAL MG2 1 99 TYR HB2 2.400 . 3.600 3.366 3.366 3.366 . 0 0 "[ ]" 1
803 1 86 VAL MG2 1 99 TYR QD 3.000 . 4.800 4.403 4.403 4.403 . 0 0 "[ ]" 1
804 1 87 ALA H 1 87 ALA MB 3.000 . 4.800 2.119 2.119 2.119 . 0 0 "[ ]" 1
805 1 87 ALA H 1 98 MET H 3.500 . 5.500 2.603 2.603 2.603 . 0 0 "[ ]" 1
806 1 87 ALA HA 1 87 ALA MB 2.000 . 2.800 2.123 2.123 2.123 . 0 0 "[ ]" 1
807 1 87 ALA HA 1 88 ILE H 2.500 . 3.800 2.215 2.215 2.215 . 0 0 "[ ]" 1
808 1 87 ALA MB 1 98 MET HA 3.500 . 5.500 5.217 5.217 5.217 . 0 0 "[ ]" 1
809 1 87 ALA MB 1 98 MET HB3 2.900 . 4.600 4.442 4.442 4.442 . 0 0 "[ ]" 1
810 1 87 ALA MB 1 98 MET ME 2.700 . 4.200 2.661 2.661 2.661 . 0 0 "[ ]" 1
811 1 88 ILE H 1 88 ILE HB 3.200 . 5.200 2.616 2.616 2.616 . 0 0 "[ ]" 1
812 1 88 ILE HA 1 88 ILE MD 2.500 . 3.800 3.853 3.853 3.853 0.053 1 0 "[ ]" 1
813 1 88 ILE HA 1 88 ILE MG 2.500 . 3.800 2.280 2.280 2.280 . 0 0 "[ ]" 1
814 1 88 ILE HA 1 89 THR H 2.800 . 4.400 2.325 2.325 2.325 . 0 0 "[ ]" 1
815 1 88 ILE HA 1 97 CYS HA 2.400 . 3.600 2.196 2.196 2.196 . 0 0 "[ ]" 1
816 1 88 ILE HB 1 88 ILE MD 2.100 . 3.000 2.116 2.116 2.116 . 0 0 "[ ]" 1
817 1 88 ILE HB 1 88 ILE MG 2.100 . 3.000 2.119 2.119 2.119 . 0 0 "[ ]" 1
818 1 88 ILE MD 1 88 ILE HG13 2.200 . 3.200 2.153 2.153 2.153 . 0 0 "[ ]" 1
819 1 88 ILE MG 1 95 LEU MD2 2.100 . 3.000 1.827 1.827 1.827 . 0 0 "[ ]" 1
820 1 89 THR H 1 89 THR MG 3.500 . 5.500 2.306 2.306 2.306 . 0 0 "[ ]" 1
821 1 89 THR H 1 96 LEU H 4.300 . 5.500 3.180 3.180 3.180 . 0 0 "[ ]" 1
822 1 89 THR H 1 97 CYS HA 3.400 . 5.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
823 1 89 THR HA 1 89 THR HB 2.800 . 4.400 2.396 2.396 2.396 . 0 0 "[ ]" 1
824 1 89 THR HA 1 89 THR MG 2.400 . 3.600 3.193 3.193 3.193 . 0 0 "[ ]" 1
825 1 89 THR HA 1 90 ARG H 3.100 . 5.000 2.182 2.182 2.182 . 0 0 "[ ]" 1
826 1 89 THR HB 1 89 THR MG 2.200 . 3.200 2.123 2.123 2.123 . 0 0 "[ ]" 1
827 1 89 THR HB 1 96 LEU MD2 3.400 . 5.500 5.515 5.515 5.515 0.015 1 0 "[ ]" 1
828 1 89 THR MG 1 90 ARG H 3.200 . 5.200 4.172 4.172 4.172 . 0 0 "[ ]" 1
829 1 89 THR MG 1 91 VAL HB 3.800 . 5.500 4.681 4.681 4.681 . 0 0 "[ ]" 1
830 1 89 THR MG 1 96 LEU HB2 2.900 . 4.600 3.111 3.111 3.111 . 0 0 "[ ]" 1
831 1 89 THR MG 1 113 ALA MB 2.700 . 4.200 2.326 2.326 2.326 . 0 0 "[ ]" 1
832 1 90 ARG H 1 90 ARG HB2 3.700 . 5.500 2.191 2.191 2.191 . 0 0 "[ ]" 1
833 1 90 ARG H 1 91 VAL H 3.400 . 5.500 4.440 4.440 4.440 . 0 0 "[ ]" 1
834 1 90 ARG HA 1 90 ARG HG3 2.200 . 3.200 1.952 1.952 1.952 . 0 0 "[ ]" 1
835 1 90 ARG HA 1 91 VAL H 2.500 . 3.800 2.214 2.214 2.214 . 0 0 "[ ]" 1
836 1 90 ARG HA 1 91 VAL MG1 2.900 . 4.600 3.465 3.465 3.465 . 0 0 "[ ]" 1
837 1 90 ARG HA 1 91 VAL MG2 3.400 . 5.500 5.467 5.467 5.467 . 0 0 "[ ]" 1
838 1 90 ARG HA 1 95 LEU HA 3.200 . 5.200 1.947 1.947 1.947 . 0 0 "[ ]" 1
839 1 90 ARG HA 1 95 LEU MD2 2.700 . 4.200 4.327 4.327 4.327 0.127 1 0 "[ ]" 1
840 1 90 ARG HB2 1 90 ARG HD3 2.200 . 3.200 1.961 1.961 1.961 . 0 0 "[ ]" 1
841 1 90 ARG HB2 1 90 ARG HG3 2.000 . 2.800 2.818 2.818 2.818 0.018 1 0 "[ ]" 1
842 1 90 ARG HB3 1 90 ARG HG3 3.000 . 4.800 2.879 2.879 2.879 . 0 0 "[ ]" 1
843 1 90 ARG HD3 1 90 ARG HG3 2.100 . 3.000 2.795 2.795 2.795 . 0 0 "[ ]" 1
844 1 90 ARG HD3 1 95 LEU HA 3.200 . 5.200 4.983 4.983 4.983 . 0 0 "[ ]" 1
845 1 90 ARG HD3 1 95 LEU MD2 3.800 . 5.500 4.194 4.194 4.194 . 0 0 "[ ]" 1
846 1 90 ARG HD3 1 95 LEU HG 3.100 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
847 1 90 ARG HG3 1 95 LEU MD1 2.000 . 2.800 2.362 2.362 2.362 . 0 0 "[ ]" 1
848 1 90 ARG HG3 1 95 LEU MD2 3.000 . 4.800 4.366 4.366 4.366 . 0 0 "[ ]" 1
849 1 91 VAL H 1 91 VAL HB 3.700 . 5.500 3.316 3.316 3.316 . 0 0 "[ ]" 1
850 1 91 VAL H 1 91 VAL MG2 2.900 . 4.600 3.879 3.879 3.879 . 0 0 "[ ]" 1
851 1 91 VAL H 1 92 ALA H 4.000 . 5.500 4.354 4.354 4.354 . 0 0 "[ ]" 1
852 1 91 VAL HA 1 91 VAL HB 2.000 . 2.800 2.441 2.441 2.441 . 0 0 "[ ]" 1
853 1 91 VAL HA 1 91 VAL MG1 2.300 . 3.400 3.201 3.201 3.201 . 0 0 "[ ]" 1
854 1 91 VAL HA 1 91 VAL MG2 2.500 . 3.800 2.383 2.383 2.383 . 0 0 "[ ]" 1
855 1 91 VAL HA 1 92 ALA H 2.600 . 4.000 2.273 2.273 2.273 . 0 0 "[ ]" 1
856 1 91 VAL HB 1 91 VAL MG1 1.900 . 2.600 2.149 2.149 2.149 . 0 0 "[ ]" 1
857 1 91 VAL HB 1 91 VAL MG2 2.000 . 2.800 2.109 2.109 2.109 . 0 0 "[ ]" 1
858 1 91 VAL HB 1 113 ALA MB 2.600 . 4.000 3.622 3.622 3.622 . 0 0 "[ ]" 1
859 1 91 VAL HB 1 114 GLN HG2 3.100 . 5.000 4.255 4.255 4.255 . 0 0 "[ ]" 1
860 1 91 VAL HB 1 117 VAL MG2 3.200 . 5.200 4.298 4.298 4.298 . 0 0 "[ ]" 1
861 1 91 VAL MG1 1 92 ALA MB 2.500 . 3.800 2.943 2.943 2.943 . 0 0 "[ ]" 1
862 1 91 VAL MG1 1 95 LEU MD1 3.000 . 4.800 4.861 4.861 4.861 0.061 1 0 "[ ]" 1
863 1 91 VAL MG2 1 92 ALA HA 3.400 . 5.500 3.729 3.729 3.729 . 0 0 "[ ]" 1
864 1 91 VAL MG2 1 92 ALA MB 1.900 . 2.600 2.384 2.384 2.384 . 0 0 "[ ]" 1
865 1 91 VAL MG2 1 117 VAL MG2 3.500 . 5.500 2.204 2.204 2.204 . 0 0 "[ ]" 1
866 1 91 VAL MG2 1 118 GLN H 3.700 . 5.500 5.093 5.093 5.093 . 0 0 "[ ]" 1
867 1 92 ALA H 1 92 ALA HA 2.500 . 3.800 2.364 2.364 2.364 . 0 0 "[ ]" 1
868 1 92 ALA H 1 92 ALA MB 3.000 . 4.800 2.772 2.772 2.772 . 0 0 "[ ]" 1
869 1 92 ALA HA 1 92 ALA MB 1.900 . 2.600 2.126 2.126 2.126 . 0 0 "[ ]" 1
870 1 92 ALA HA 1 124 LEU HB3 3.400 . 5.500 3.989 3.989 3.989 . 0 0 "[ ]" 1
871 1 92 ALA MB 1 124 LEU HB3 2.700 . 4.200 1.962 1.962 1.962 . 0 0 "[ ]" 1
872 1 92 ALA MB 1 124 LEU HG 1.900 . 2.600 1.869 1.869 1.869 . 0 0 "[ ]" 1
873 1 94 LEU H 1 94 LEU HB2 3.400 . 5.500 3.268 3.268 3.268 . 0 0 "[ ]" 1
874 1 94 LEU H 1 94 LEU HB3 3.100 . 5.000 2.556 2.556 2.556 . 0 0 "[ ]" 1
875 1 94 LEU H 1 94 LEU MD1 3.200 . 5.200 4.314 4.314 4.314 . 0 0 "[ ]" 1
876 1 94 LEU H 1 95 LEU H 3.500 . 5.500 4.319 4.319 4.319 . 0 0 "[ ]" 1
877 1 94 LEU HA 1 94 LEU HB2 3.000 . 4.800 2.422 2.422 2.422 . 0 0 "[ ]" 1
878 1 94 LEU HA 1 94 LEU MD1 2.000 . 2.800 2.069 2.069 2.069 . 0 0 "[ ]" 1
879 1 94 LEU HA 1 95 LEU H 3.000 . 4.800 2.253 2.253 2.253 . 0 0 "[ ]" 1
880 1 94 LEU HB2 1 94 LEU MD1 1.700 . 2.300 2.319 2.319 2.319 0.019 1 0 "[ ]" 1
881 1 94 LEU HB2 1 95 LEU H 3.000 . 4.800 4.239 4.239 4.239 . 0 0 "[ ]" 1
882 1 94 LEU HB2 1 124 LEU MD1 2.200 . 3.200 2.592 2.592 2.592 . 0 0 "[ ]" 1
883 1 94 LEU HB3 1 94 LEU MD1 2.100 . 4.500 3.197 3.197 3.197 . 0 0 "[ ]" 1
884 1 94 LEU HB3 1 95 LEU H 3.100 . 5.000 4.304 4.304 4.304 . 0 0 "[ ]" 1
885 1 94 LEU HB3 1 124 LEU MD1 2.300 . 3.400 2.604 2.604 2.604 . 0 0 "[ ]" 1
886 1 94 LEU MD1 1 95 LEU H 3.200 . 5.200 2.137 2.137 2.137 . 0 0 "[ ]" 1
887 1 95 LEU HA 1 95 LEU MD2 2.400 . 3.600 3.629 3.629 3.629 0.029 1 0 "[ ]" 1
888 1 95 LEU HA 1 96 LEU H 2.400 . 3.600 2.196 2.196 2.196 . 0 0 "[ ]" 1
889 1 95 LEU HB3 1 95 LEU MD1 3.000 . 4.800 2.892 2.892 2.892 . 0 0 "[ ]" 1
890 1 95 LEU HB3 1 95 LEU MD2 3.100 . 5.000 2.073 2.073 2.073 . 0 0 "[ ]" 1
891 1 95 LEU MD1 1 96 LEU H 3.500 . 5.500 3.844 3.844 3.844 . 0 0 "[ ]" 1
892 1 96 LEU H 1 96 LEU HB2 3.200 . 5.200 2.634 2.634 2.634 . 0 0 "[ ]" 1
893 1 96 LEU H 1 96 LEU MD2 3.100 . 5.000 4.119 4.119 4.119 . 0 0 "[ ]" 1
894 1 96 LEU HA 1 96 LEU MD2 2.000 . 2.800 2.593 2.593 2.593 . 0 0 "[ ]" 1
895 1 96 LEU HB2 1 96 LEU MD2 2.200 . 3.200 3.195 3.195 3.195 . 0 0 "[ ]" 1
896 1 96 LEU MD2 1 98 MET HA 3.200 . 5.200 4.212 4.212 4.212 . 0 0 "[ ]" 1
897 1 96 LEU MD2 1 98 MET ME 2.200 . 3.200 1.776 1.776 1.776 . 0 0 "[ ]" 1
898 1 96 LEU MD2 1 98 MET HG3 3.100 . 5.000 4.663 4.663 4.663 . 0 0 "[ ]" 1
899 1 97 CYS HA 1 98 MET H 2.700 . 4.200 2.364 2.364 2.364 . 0 0 "[ ]" 1
900 1 98 MET HA 1 98 MET HB3 3.000 . 4.800 2.484 2.484 2.484 . 0 0 "[ ]" 1
901 1 98 MET HA 1 98 MET ME 3.300 . 5.500 4.564 4.564 4.564 . 0 0 "[ ]" 1
902 1 98 MET HA 1 98 MET HG2 3.000 . 4.800 3.689 3.689 3.689 . 0 0 "[ ]" 1
903 1 98 MET HA 1 98 MET HG3 3.000 . 4.800 3.735 3.735 3.735 . 0 0 "[ ]" 1
904 1 98 MET HA 1 99 TYR H 2.500 . 3.800 2.267 2.267 2.267 . 0 0 "[ ]" 1
905 1 98 MET HB2 1 98 MET HG3 2.800 . 4.400 2.446 2.446 2.446 . 0 0 "[ ]" 1
906 1 98 MET HB3 1 98 MET ME 2.900 . 4.600 2.666 2.666 2.666 . 0 0 "[ ]" 1
907 1 98 MET ME 1 98 MET HG2 3.200 . 5.200 1.995 1.995 1.995 . 0 0 "[ ]" 1
908 1 98 MET ME 1 98 MET HG3 3.200 . 5.200 3.220 3.220 3.220 . 0 0 "[ ]" 1
909 1 98 MET ME 1 113 ALA MB 2.800 . 4.400 4.316 4.316 4.316 . 0 0 "[ ]" 1
910 1 98 MET ME 1 116 LEU MD1 2.500 . 3.800 3.624 3.624 3.624 . 0 0 "[ ]" 1
911 1 99 TYR H 1 99 TYR HB2 3.400 . 5.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
912 1 99 TYR HA 1 99 TYR HB2 3.000 . 4.800 2.388 2.388 2.388 . 0 0 "[ ]" 1
913 1 99 TYR HA 1 99 TYR QD 2.500 . 3.800 2.199 2.199 2.199 . 0 0 "[ ]" 1
914 1 99 TYR HA 1 100 ALA H 2.700 . 4.200 2.206 2.206 2.206 . 0 0 "[ ]" 1
915 1 99 TYR HB2 1 99 TYR QD 3.100 . 5.000 2.792 2.792 2.792 . 0 0 "[ ]" 1
916 1 100 ALA HA 1 100 ALA MB 2.100 . 3.000 2.143 2.143 2.143 . 0 0 "[ ]" 1
917 1 100 ALA HA 1 101 LYS H 2.500 . 3.800 2.521 2.521 2.521 . 0 0 "[ ]" 1
918 1 100 ALA MB 1 101 LYS H 2.900 . 4.600 2.537 2.537 2.537 . 0 0 "[ ]" 1
919 1 100 ALA MB 1 103 THR HA 3.200 . 5.200 4.188 4.188 4.188 . 0 0 "[ ]" 1
920 1 100 ALA MB 1 104 VAL HA 3.100 . 5.000 3.837 3.837 3.837 . 0 0 "[ ]" 1
921 1 100 ALA MB 1 104 VAL HB 2.200 . 3.200 3.248 3.248 3.248 0.048 1 0 "[ ]" 1
922 1 100 ALA MB 1 104 VAL MG2 2.100 . 3.000 1.794 1.794 1.794 . 0 0 "[ ]" 1
923 1 101 LYS H 1 101 LYS HB2 3.300 . 5.500 2.913 2.913 2.913 . 0 0 "[ ]" 1
924 1 101 LYS HA 1 102 GLU H 2.600 . 4.000 3.540 3.540 3.540 . 0 0 "[ ]" 1
925 1 102 GLU H 1 102 GLU HB2 3.000 . 4.800 2.651 2.651 2.651 . 0 0 "[ ]" 1
926 1 102 GLU H 1 102 GLU HG2 3.700 . 5.500 4.452 4.452 4.452 . 0 0 "[ ]" 1
927 1 102 GLU H 1 104 VAL HB 3.000 . 4.800 4.773 4.773 4.773 . 0 0 "[ ]" 1
928 1 102 GLU HA 1 102 GLU HB2 1.900 . 2.600 2.633 2.633 2.633 0.033 1 0 "[ ]" 1
929 1 102 GLU HA 1 102 GLU HG2 2.300 . 3.400 2.095 2.095 2.095 . 0 0 "[ ]" 1
930 1 102 GLU HB2 1 102 GLU HG2 2.900 . 4.600 2.794 2.794 2.794 . 0 0 "[ ]" 1
931 1 103 THR HA 1 103 THR HB 2.000 . 2.800 3.008 3.008 3.008 0.208 1 0 "[ ]" 1
932 1 103 THR HA 1 103 THR MG 2.300 . 3.400 2.499 2.499 2.499 . 0 0 "[ ]" 1
933 1 103 THR HB 1 103 THR MG 2.100 . 3.000 2.147 2.147 2.147 . 0 0 "[ ]" 1
934 1 104 VAL H 1 104 VAL HA 2.800 . 4.400 2.918 2.918 2.918 . 0 0 "[ ]" 1
935 1 104 VAL H 1 104 VAL HB 2.100 . 3.000 2.267 2.267 2.267 . 0 0 "[ ]" 1
936 1 104 VAL H 1 104 VAL MG2 2.000 . 2.800 2.443 2.443 2.443 . 0 0 "[ ]" 1
937 1 104 VAL HA 1 104 VAL HB 3.000 . 4.800 3.040 3.040 3.040 . 0 0 "[ ]" 1
938 1 104 VAL HA 1 104 VAL MG2 1.900 . 2.600 2.245 2.245 2.245 . 0 0 "[ ]" 1
939 1 104 VAL HB 1 104 VAL MG2 2.000 . 2.800 2.105 2.105 2.105 . 0 0 "[ ]" 1
940 1 104 VAL HB 1 105 GLY H 3.700 . 5.500 4.473 4.473 4.473 . 0 0 "[ ]" 1
941 1 104 VAL MG2 1 105 GLY H 2.900 . 4.600 4.297 4.297 4.297 . 0 0 "[ ]" 1
942 1 105 GLY H 1 105 GLY HA2 2.000 . 2.800 2.851 2.851 2.851 0.051 1 0 "[ ]" 1
943 1 105 GLY H 1 106 PHE H 3.600 . 5.500 4.298 4.298 4.298 . 0 0 "[ ]" 1
944 1 105 GLY HA2 1 106 PHE H 2.700 . 4.200 3.023 3.023 3.023 . 0 0 "[ ]" 1
945 1 106 PHE H 1 106 PHE HB2 2.600 . 4.000 2.648 2.648 2.648 . 0 0 "[ ]" 1
946 1 106 PHE H 1 106 PHE QD 3.700 . 5.500 4.144 4.144 4.144 . 0 0 "[ ]" 1
947 1 106 PHE H 1 107 GLY H 3.200 . 5.200 2.696 2.696 2.696 . 0 0 "[ ]" 1
948 1 106 PHE HA 1 106 PHE HB2 2.500 . 3.800 2.842 2.842 2.842 . 0 0 "[ ]" 1
949 1 106 PHE HA 1 106 PHE QD 2.700 . 4.200 2.952 2.952 2.952 . 0 0 "[ ]" 1
950 1 106 PHE HB2 1 106 PHE QD 2.900 . 4.600 2.392 2.392 2.392 . 0 0 "[ ]" 1
951 1 106 PHE HB2 1 107 GLY H 3.600 . 5.500 2.822 2.822 2.822 . 0 0 "[ ]" 1
952 1 107 GLY H 1 107 GLY HA2 3.000 . 4.800 2.954 2.954 2.954 . 0 0 "[ ]" 1
953 1 107 GLY H 1 107 GLY HA3 2.900 . 4.600 2.395 2.395 2.395 . 0 0 "[ ]" 1
954 1 107 GLY H 1 108 MET H 3.300 . 5.500 2.557 2.557 2.557 . 0 0 "[ ]" 1
955 1 107 GLY HA2 1 110 LYS H 3.100 . 5.000 3.486 3.486 3.486 . 0 0 "[ ]" 1
956 1 107 GLY HA2 1 110 LYS HB3 3.700 . 5.500 4.724 4.724 4.724 . 0 0 "[ ]" 1
957 1 107 GLY HA3 1 108 MET H 2.700 . 4.200 2.615 2.615 2.615 . 0 0 "[ ]" 1
958 1 107 GLY HA3 1 110 LYS H 3.300 . 5.500 4.584 4.584 4.584 . 0 0 "[ ]" 1
959 1 108 MET H 1 108 MET HA 2.600 . 4.000 2.809 2.809 2.809 . 0 0 "[ ]" 1
960 1 108 MET H 1 108 MET HB2 2.200 . 3.200 2.477 2.477 2.477 . 0 0 "[ ]" 1
961 1 108 MET H 1 109 LEU H 3.400 . 5.500 2.809 2.809 2.809 . 0 0 "[ ]" 1
962 1 108 MET HA 1 111 ALA H 3.300 . 5.500 3.974 3.974 3.974 . 0 0 "[ ]" 1
963 1 109 LEU H 1 110 LYS H 3.100 . 5.000 2.692 2.692 2.692 . 0 0 "[ ]" 1
964 1 109 LEU HA 1 109 LEU HB2 2.300 . 3.400 2.718 2.718 2.718 . 0 0 "[ ]" 1
965 1 109 LEU HA 1 109 LEU MD1 1.900 . 2.600 2.329 2.329 2.329 . 0 0 "[ ]" 1
966 1 109 LEU HA 1 112 LYS HB3 2.900 . 4.600 2.642 2.642 2.642 . 0 0 "[ ]" 1
967 1 110 LYS HA 1 110 LYS HG2 3.900 . 5.500 2.405 2.405 2.405 . 0 0 "[ ]" 1
968 1 110 LYS HA 1 111 ALA H 2.800 . 4.400 3.587 3.587 3.587 . 0 0 "[ ]" 1
969 1 110 LYS HA 1 111 ALA MB 3.300 . 5.500 4.976 4.976 4.976 . 0 0 "[ ]" 1
970 1 110 LYS HA 1 113 ALA MB 3.000 . 4.800 3.147 3.147 3.147 . 0 0 "[ ]" 1
971 1 110 LYS HD3 1 110 LYS HG2 2.100 . 3.000 2.413 2.413 2.413 . 0 0 "[ ]" 1
972 1 111 ALA H 1 111 ALA HA 2.900 . 4.600 2.843 2.843 2.843 . 0 0 "[ ]" 1
973 1 111 ALA H 1 111 ALA MB 2.100 . 3.000 2.005 2.005 2.005 . 0 0 "[ ]" 1
974 1 111 ALA HA 1 111 ALA MB 1.800 . 2.400 2.139 2.139 2.139 . 0 0 "[ ]" 1
975 1 111 ALA MB 1 112 LYS H 3.200 . 5.200 2.735 2.735 2.735 . 0 0 "[ ]" 1
976 1 112 LYS H 1 112 LYS HA 2.400 . 3.600 2.861 2.861 2.861 . 0 0 "[ ]" 1
977 1 112 LYS H 1 112 LYS HB3 2.600 . 4.000 3.056 3.056 3.056 . 0 0 "[ ]" 1
978 1 112 LYS HB3 1 113 ALA H 2.200 . 3.200 2.793 2.793 2.793 . 0 0 "[ ]" 1
979 1 112 LYS HB3 1 116 LEU H 3.300 . 5.500 5.134 5.134 5.134 . 0 0 "[ ]" 1
980 1 113 ALA H 1 113 ALA HA 2.800 . 4.400 2.890 2.890 2.890 . 0 0 "[ ]" 1
981 1 113 ALA H 1 113 ALA MB 2.100 . 3.000 2.078 2.078 2.078 . 0 0 "[ ]" 1
982 1 113 ALA H 1 114 GLN H 2.900 . 4.600 2.769 2.769 2.769 . 0 0 "[ ]" 1
983 1 113 ALA HA 1 113 ALA MB 2.300 . 3.400 2.149 2.149 2.149 . 0 0 "[ ]" 1
984 1 113 ALA HA 1 116 LEU MD1 2.000 . 2.800 2.599 2.599 2.599 . 0 0 "[ ]" 1
985 1 113 ALA MB 1 114 GLN H 3.300 . 5.500 2.117 2.117 2.117 . 0 0 "[ ]" 1
986 1 113 ALA MB 1 116 LEU MD1 2.400 . 3.600 3.607 3.607 3.607 0.007 1 0 "[ ]" 1
987 1 114 GLN H 1 114 GLN HB2 2.900 . 4.600 1.963 1.963 1.963 . 0 0 "[ ]" 1
988 1 114 GLN H 1 114 GLN HB3 2.600 . 4.000 3.105 3.105 3.105 . 0 0 "[ ]" 1
989 1 114 GLN H 1 114 GLN HG2 3.200 . 5.200 4.060 4.060 4.060 . 0 0 "[ ]" 1
990 1 114 GLN H 1 116 LEU H 2.900 . 4.600 4.118 4.118 4.118 . 0 0 "[ ]" 1
991 1 114 GLN HA 1 114 GLN HB2 2.200 . 3.200 2.785 2.785 2.785 . 0 0 "[ ]" 1
992 1 114 GLN HA 1 114 GLN HG2 2.100 . 3.000 2.022 2.022 2.022 . 0 0 "[ ]" 1
993 1 114 GLN HA 1 117 VAL HB 3.000 . 4.800 3.354 3.354 3.354 . 0 0 "[ ]" 1
994 1 114 GLN HA 1 117 VAL MG1 2.400 . 4.500 4.512 4.512 4.512 0.012 1 0 "[ ]" 1
995 1 114 GLN HA 1 117 VAL MG2 2.200 . 3.200 3.215 3.215 3.215 0.015 1 0 "[ ]" 1
996 1 114 GLN HB2 1 115 ALA MB 2.900 . 4.600 4.614 4.614 4.614 0.014 1 0 "[ ]" 1
997 1 114 GLN HG2 1 117 VAL MG2 3.000 . 4.800 4.363 4.363 4.363 . 0 0 "[ ]" 1
998 1 115 ALA HA 1 115 ALA MB 2.000 . 2.800 2.130 2.130 2.130 . 0 0 "[ ]" 1
999 1 115 ALA HA 1 116 LEU H 3.200 . 5.200 3.562 3.562 3.562 . 0 0 "[ ]" 1
1000 1 115 ALA HA 1 119 TYR H 3.400 . 5.500 2.966 2.966 2.966 . 0 0 "[ ]" 1
1001 1 116 LEU H 1 116 LEU HA 2.900 . 4.600 2.789 2.789 2.789 . 0 0 "[ ]" 1
1002 1 116 LEU H 1 116 LEU HB2 2.500 . 3.800 2.000 2.000 2.000 . 0 0 "[ ]" 1
1003 1 116 LEU H 1 116 LEU MD1 3.000 . 4.800 3.829 3.829 3.829 . 0 0 "[ ]" 1
1004 1 116 LEU H 1 117 VAL H 2.900 . 4.600 2.825 2.825 2.825 . 0 0 "[ ]" 1
1005 1 116 LEU HA 1 116 LEU HB2 2.300 . 3.400 2.718 2.718 2.718 . 0 0 "[ ]" 1
1006 1 116 LEU HA 1 116 LEU MD1 2.800 . 4.400 3.553 3.553 3.553 . 0 0 "[ ]" 1
1007 1 116 LEU HA 1 119 TYR H 3.200 . 5.200 4.237 4.237 4.237 . 0 0 "[ ]" 1
1008 1 116 LEU HA 1 120 LEU MD2 2.400 . 4.500 2.377 2.377 2.377 . 0 0 "[ ]" 1
1009 1 116 LEU HB2 1 116 LEU MD1 1.700 . 2.300 2.227 2.227 2.227 . 0 0 "[ ]" 1
1010 1 116 LEU HB3 1 116 LEU MD1 1.900 . 2.600 2.572 2.572 2.572 . 0 0 "[ ]" 1
1011 1 117 VAL H 1 117 VAL HB 2.900 . 4.600 2.267 2.267 2.267 . 0 0 "[ ]" 1
1012 1 117 VAL H 1 117 VAL MG2 2.700 . 4.200 2.261 2.261 2.261 . 0 0 "[ ]" 1
1013 1 117 VAL H 1 118 GLN H 3.100 . 5.000 2.543 2.543 2.543 . 0 0 "[ ]" 1
1014 1 117 VAL HA 1 117 VAL MG1 2.100 . 3.000 2.492 2.492 2.492 . 0 0 "[ ]" 1
1015 1 117 VAL HA 1 117 VAL MG2 2.100 . 3.000 2.339 2.339 2.339 . 0 0 "[ ]" 1
1016 1 117 VAL HA 1 118 GLN H 3.400 . 5.500 3.591 3.591 3.591 . 0 0 "[ ]" 1
1017 1 117 VAL HB 1 117 VAL MG1 1.800 . 2.400 2.149 2.149 2.149 . 0 0 "[ ]" 1
1018 1 117 VAL HB 1 117 VAL MG2 1.900 . 2.600 2.147 2.147 2.147 . 0 0 "[ ]" 1
1019 1 117 VAL HB 1 118 GLN H 2.600 . 4.000 2.405 2.405 2.405 . 0 0 "[ ]" 1
1020 1 117 VAL HB 1 119 TYR H 3.900 . 5.500 4.828 4.828 4.828 . 0 0 "[ ]" 1
1021 1 117 VAL MG1 1 118 GLN H 3.200 . 5.200 3.144 3.144 3.144 . 0 0 "[ ]" 1
1022 1 117 VAL MG1 1 130 SER HA 3.400 . 5.500 4.268 4.268 4.268 . 0 0 "[ ]" 1
1023 1 117 VAL MG2 1 130 SER HA 3.700 . 5.500 5.521 5.521 5.521 0.021 1 0 "[ ]" 1
1024 1 118 GLN H 1 118 GLN HA 2.400 . 3.600 2.931 2.931 2.931 . 0 0 "[ ]" 1
1025 1 118 GLN H 1 118 GLN HB2 2.100 . 3.000 2.253 2.253 2.253 . 0 0 "[ ]" 1
1026 1 118 GLN HA 1 120 LEU H 3.500 . 5.500 5.364 5.364 5.364 . 0 0 "[ ]" 1
1027 1 118 GLN HB2 1 119 TYR H 2.900 . 4.600 3.661 3.661 3.661 . 0 0 "[ ]" 1
1028 1 119 TYR H 1 119 TYR HA 2.500 . 3.800 2.885 2.885 2.885 . 0 0 "[ ]" 1
1029 1 119 TYR H 1 119 TYR HB2 2.500 . 3.800 2.108 2.108 2.108 . 0 0 "[ ]" 1
1030 1 119 TYR H 1 119 TYR HB3 2.700 . 4.200 3.462 3.462 3.462 . 0 0 "[ ]" 1
1031 1 119 TYR H 1 120 LEU H 3.000 . 4.800 2.926 2.926 2.926 . 0 0 "[ ]" 1
1032 1 119 TYR H 1 121 GLU H 3.100 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1
1033 1 119 TYR HA 1 119 TYR HB2 2.200 . 3.200 2.997 2.997 2.997 . 0 0 "[ ]" 1
1034 1 119 TYR HA 1 119 TYR HB3 2.400 . 3.600 2.662 2.662 2.662 . 0 0 "[ ]" 1
1035 1 119 TYR HA 1 119 TYR QD 2.400 . 3.600 2.996 2.996 2.996 . 0 0 "[ ]" 1
1036 1 119 TYR HA 1 119 TYR QE 3.100 . 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
1037 1 119 TYR HA 1 120 LEU H 3.300 . 5.500 3.600 3.600 3.600 . 0 0 "[ ]" 1
1038 1 119 TYR HB2 1 119 TYR QD 2.100 . 3.000 2.565 2.565 2.565 . 0 0 "[ ]" 1
1039 1 119 TYR HB2 1 120 LEU MD2 3.000 . 4.800 4.737 4.737 4.737 . 0 0 "[ ]" 1
1040 1 119 TYR HB3 1 119 TYR QD 2.900 . 4.600 2.317 2.317 2.317 . 0 0 "[ ]" 1
1041 1 119 TYR HB3 1 120 LEU H 3.300 . 5.500 2.764 2.764 2.764 . 0 0 "[ ]" 1
1042 1 120 LEU H 1 120 LEU HB2 2.400 . 3.600 2.153 2.153 2.153 . 0 0 "[ ]" 1
1043 1 120 LEU H 1 120 LEU HB3 3.400 . 5.500 3.484 3.484 3.484 . 0 0 "[ ]" 1
1044 1 120 LEU H 1 120 LEU MD2 2.300 . 3.400 3.453 3.453 3.453 0.053 1 0 "[ ]" 1
1045 1 120 LEU H 1 121 GLU H 3.200 . 5.200 3.373 3.373 3.373 . 0 0 "[ ]" 1
1046 1 120 LEU HA 1 120 LEU HB2 2.000 . 2.800 2.975 2.975 2.975 0.175 1 0 "[ ]" 1
1047 1 120 LEU HA 1 120 LEU HB3 2.000 . 2.800 2.662 2.662 2.662 . 0 0 "[ ]" 1
1048 1 120 LEU HA 1 120 LEU MD1 2.000 . 2.800 2.122 2.122 2.122 . 0 0 "[ ]" 1
1049 1 120 LEU HB2 1 120 LEU MD1 2.200 . 3.200 2.477 2.477 2.477 . 0 0 "[ ]" 1
1050 1 121 GLU H 1 121 GLU HA 2.600 . 4.000 2.982 2.982 2.982 . 0 0 "[ ]" 1
1051 1 121 GLU H 1 121 GLU HB3 2.600 . 4.000 3.064 3.064 3.064 . 0 0 "[ ]" 1
1052 1 121 GLU HB3 1 123 PRO HA 2.500 . 4.500 4.570 4.570 4.570 0.070 1 0 "[ ]" 1
1053 1 121 GLU HB3 1 123 PRO HB3 2.400 . 3.600 3.100 3.100 3.100 . 0 0 "[ ]" 1
1054 1 123 PRO HA 1 123 PRO HB2 2.300 . 3.400 2.694 2.694 2.694 . 0 0 "[ ]" 1
1055 1 123 PRO HA 1 123 PRO HB3 2.000 . 2.800 2.374 2.374 2.374 . 0 0 "[ ]" 1
1056 1 123 PRO HB3 1 124 LEU MD2 2.300 . 4.500 3.501 3.501 3.501 . 0 0 "[ ]" 1
1057 1 124 LEU H 1 124 LEU HB2 2.900 . 4.600 3.233 3.233 3.233 . 0 0 "[ ]" 1
1058 1 124 LEU H 1 124 LEU MD2 3.100 . 5.000 2.131 2.131 2.131 . 0 0 "[ ]" 1
1059 1 124 LEU H 1 124 LEU HG 2.200 . 4.500 4.460 4.460 4.460 . 0 0 "[ ]" 1
1060 1 124 LEU HA 1 124 LEU HB2 2.000 . 2.800 2.966 2.966 2.966 0.166 1 0 "[ ]" 1
1061 1 124 LEU HA 1 124 LEU HB3 2.000 . 2.800 2.671 2.671 2.671 . 0 0 "[ ]" 1
1062 1 124 LEU HA 1 124 LEU MD1 3.500 . 5.500 1.893 1.893 1.893 . 0 0 "[ ]" 1
1063 1 124 LEU HA 1 124 LEU MD2 2.000 . 2.800 2.268 2.268 2.268 . 0 0 "[ ]" 1
1064 1 124 LEU HA 1 124 LEU HG 2.900 . 4.600 3.551 3.551 3.551 . 0 0 "[ ]" 1
1065 1 124 LEU HA 1 125 THR MG 3.200 . 5.200 4.843 4.843 4.843 . 0 0 "[ ]" 1
1066 1 124 LEU HA 1 128 ALA MB 2.300 . 3.400 3.157 3.157 3.157 . 0 0 "[ ]" 1
1067 1 124 LEU HB2 1 124 LEU MD1 2.400 . 3.600 3.173 3.173 3.173 . 0 0 "[ ]" 1
1068 1 124 LEU HB2 1 124 LEU QD 3.100 . 5.000 2.263 2.263 2.263 . 0 0 "[ ]" 1
1069 1 124 LEU HB2 1 124 LEU MD2 2.200 . 3.200 2.317 2.317 2.317 . 0 0 "[ ]" 1
1070 1 124 LEU HB2 1 124 LEU HG 3.000 . 4.800 2.447 2.447 2.447 . 0 0 "[ ]" 1
1071 1 124 LEU HB2 1 125 THR H 3.600 . 5.500 2.516 2.516 2.516 . 0 0 "[ ]" 1
1072 1 124 LEU HB2 1 128 ALA MB 2.900 . 4.600 4.805 4.805 4.805 0.205 1 0 "[ ]" 1
1073 1 124 LEU HB3 1 125 THR H 3.000 . 4.800 2.830 2.830 2.830 . 0 0 "[ ]" 1
1074 1 124 LEU MD1 1 124 LEU HG 1.900 . 2.600 2.134 2.134 2.134 . 0 0 "[ ]" 1
1075 1 124 LEU MD1 1 125 THR MG 3.000 . 4.800 4.879 4.879 4.879 0.079 1 0 "[ ]" 1
1076 1 124 LEU MD2 1 124 LEU HG 1.900 . 2.600 2.144 2.144 2.144 . 0 0 "[ ]" 1
1077 1 124 LEU MD2 1 125 THR H 3.800 . 5.500 4.094 4.094 4.094 . 0 0 "[ ]" 1
1078 1 124 LEU MD2 1 126 GLN H 3.300 . 5.500 5.107 5.107 5.107 . 0 0 "[ ]" 1
1079 1 124 LEU HG 1 125 THR H 3.100 . 5.000 4.801 4.801 4.801 . 0 0 "[ ]" 1
1080 1 125 THR H 1 125 THR HA 2.700 . 4.200 2.764 2.764 2.764 . 0 0 "[ ]" 1
1081 1 125 THR H 1 125 THR HB 2.500 . 3.800 3.530 3.530 3.530 . 0 0 "[ ]" 1
1082 1 125 THR H 1 125 THR MG 3.400 . 5.500 1.886 1.886 1.886 . 0 0 "[ ]" 1
1083 1 125 THR HA 1 125 THR HB 2.300 . 3.400 2.480 2.480 2.480 . 0 0 "[ ]" 1
1084 1 125 THR HA 1 125 THR MG 1.900 . 2.600 2.352 2.352 2.352 . 0 0 "[ ]" 1
1085 1 125 THR HA 1 126 GLN H 2.800 . 4.400 3.530 3.530 3.530 . 0 0 "[ ]" 1
1086 1 125 THR HA 1 128 ALA MB 3.100 . 5.000 3.615 3.615 3.615 . 0 0 "[ ]" 1
1087 1 125 THR HB 1 125 THR MG 1.900 . 2.600 2.112 2.112 2.112 . 0 0 "[ ]" 1
1088 1 125 THR MG 1 126 GLN H 3.300 . 5.500 3.892 3.892 3.892 . 0 0 "[ ]" 1
1089 1 125 THR MG 1 126 GLN HG3 3.400 . 5.500 5.267 5.267 5.267 . 0 0 "[ ]" 1
1090 1 125 THR MG 1 128 ALA MB 3.700 . 5.500 4.701 4.701 4.701 . 0 0 "[ ]" 1
1091 1 126 GLN H 1 126 GLN HB2 2.200 . 3.200 2.089 2.089 2.089 . 0 0 "[ ]" 1
1092 1 126 GLN H 1 126 GLN HB3 2.800 . 4.400 3.449 3.449 3.449 . 0 0 "[ ]" 1
1093 1 126 GLN H 1 127 VAL H 3.200 . 5.200 4.559 4.559 4.559 . 0 0 "[ ]" 1
1094 1 126 GLN H 1 128 ALA H 3.200 . 5.200 4.791 4.791 4.791 . 0 0 "[ ]" 1
1095 1 126 GLN H 1 129 ALA H 2.900 . 4.600 4.271 4.271 4.271 . 0 0 "[ ]" 1
1096 1 126 GLN HA 1 126 GLN HB2 2.100 . 3.000 3.002 3.002 3.002 0.002 1 0 "[ ]" 1
1097 1 126 GLN HA 1 126 GLN HB3 2.100 . 3.000 2.674 2.674 2.674 . 0 0 "[ ]" 1
1098 1 126 GLN HA 1 126 GLN HG3 2.100 . 3.000 2.945 2.945 2.945 . 0 0 "[ ]" 1
1099 1 126 GLN HA 1 127 VAL H 2.200 . 3.200 2.201 2.201 2.201 . 0 0 "[ ]" 1
1100 1 126 GLN HB2 1 126 GLN HG3 2.000 . 2.800 2.373 2.373 2.373 . 0 0 "[ ]" 1
1101 1 126 GLN HB3 1 126 GLN HG3 2.400 . 3.600 3.022 3.022 3.022 . 0 0 "[ ]" 1
1102 1 127 VAL H 1 127 VAL HB 2.400 . 3.600 2.856 2.856 2.856 . 0 0 "[ ]" 1
1103 1 127 VAL H 1 127 VAL MG2 2.900 . 4.600 3.925 3.925 3.925 . 0 0 "[ ]" 1
1104 1 127 VAL H 1 128 ALA H 3.000 . 4.800 3.114 3.114 3.114 . 0 0 "[ ]" 1
1105 1 127 VAL HA 1 127 VAL HB 2.200 . 3.200 2.485 2.485 2.485 . 0 0 "[ ]" 1
1106 1 127 VAL HA 1 127 VAL MG2 1.900 . 2.600 2.274 2.274 2.274 . 0 0 "[ ]" 1
1107 1 127 VAL HA 1 128 ALA H 2.200 . 3.200 2.767 2.767 2.767 . 0 0 "[ ]" 1
1108 1 127 VAL HA 1 129 ALA H 3.800 . 5.500 4.659 4.659 4.659 . 0 0 "[ ]" 1
1109 1 127 VAL HB 1 127 VAL MG2 1.900 . 2.600 2.107 2.107 2.107 . 0 0 "[ ]" 1
1110 1 127 VAL MG2 1 128 ALA H 3.400 . 5.500 4.025 4.025 4.025 . 0 0 "[ ]" 1
1111 1 127 VAL MG2 1 128 ALA HA 3.500 . 5.500 4.122 4.122 4.122 . 0 0 "[ ]" 1
1112 1 127 VAL MG2 1 128 ALA MB 2.700 . 4.200 3.974 3.974 3.974 . 0 0 "[ ]" 1
1113 1 128 ALA H 1 128 ALA HA 2.800 . 4.400 2.915 2.915 2.915 . 0 0 "[ ]" 1
1114 1 128 ALA H 1 129 ALA MB 2.300 . 3.400 3.411 3.411 3.411 0.011 1 0 "[ ]" 1
1115 1 128 ALA HA 1 128 ALA MB 1.800 . 2.400 2.124 2.124 2.124 . 0 0 "[ ]" 1
1116 1 128 ALA HA 1 129 ALA H 2.200 . 4.500 3.561 3.561 3.561 . 0 0 "[ ]" 1
1117 1 128 ALA MB 1 130 SER HB3 2.200 . 4.500 4.516 4.516 4.516 0.016 1 0 "[ ]" 1
1118 1 129 ALA H 1 129 ALA MB 2.600 . 4.000 2.817 2.817 2.817 . 0 0 "[ ]" 1
1119 1 129 ALA HA 1 130 SER H 2.800 . 4.400 2.288 2.288 2.288 . 0 0 "[ ]" 1
1120 1 130 SER H 1 130 SER HA 2.900 . 4.600 2.891 2.891 2.891 . 0 0 "[ ]" 1
1121 1 130 SER H 1 130 SER HB3 2.700 . 4.200 2.334 2.334 2.334 . 0 0 "[ ]" 1
1122 1 130 SER HA 1 130 SER HB3 2.300 . 3.400 2.544 2.544 2.544 . 0 0 "[ ]" 1
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