NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390676 |
1opz   |
5769 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1opz
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 1400
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 2.804
_Distance_constraint_stats_list.Viol_max 0.217
_Distance_constraint_stats_list.Viol_rms 0.0130
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0467
_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 3 SER 0.000 0.000 . 0 "[ ]"
1 4 GLU 0.050 0.030 1 0 "[ ]"
1 5 GLN 0.069 0.048 1 0 "[ ]"
1 6 LYS 0.075 0.053 1 0 "[ ]"
1 7 GLU 0.056 0.053 1 0 "[ ]"
1 8 ILE 0.044 0.044 1 0 "[ ]"
1 9 ALA 0.044 0.044 1 0 "[ ]"
1 10 MET 0.122 0.117 1 0 "[ ]"
1 11 GLN 0.117 0.117 1 0 "[ ]"
1 12 VAL 0.066 0.048 1 0 "[ ]"
1 13 SER 0.029 0.029 1 0 "[ ]"
1 14 GLY 0.000 0.000 . 0 "[ ]"
1 15 MET 0.122 0.088 1 0 "[ ]"
1 16 THR 0.000 0.000 . 0 "[ ]"
1 17 CYS 0.063 0.034 1 0 "[ ]"
1 19 ALA 0.000 0.000 . 0 "[ ]"
1 20 CYS 0.029 0.029 1 0 "[ ]"
1 21 ALA 0.000 0.000 . 0 "[ ]"
1 22 ALA 0.044 0.044 1 0 "[ ]"
1 23 ARG 0.019 0.019 1 0 "[ ]"
1 24 ILE 0.000 0.000 . 0 "[ ]"
1 25 GLU 0.115 0.044 1 0 "[ ]"
1 26 LYS 0.172 0.101 1 0 "[ ]"
1 27 GLY 0.074 0.027 1 0 "[ ]"
1 28 LEU 0.151 0.041 1 0 "[ ]"
1 29 LYS 0.144 0.101 1 0 "[ ]"
1 30 ARG 0.056 0.028 1 0 "[ ]"
1 31 MET 0.055 0.041 1 0 "[ ]"
1 32 PRO 0.000 0.000 . 0 "[ ]"
1 33 GLY 0.111 0.111 1 0 "[ ]"
1 34 VAL 0.030 0.030 1 0 "[ ]"
1 35 THR 0.005 0.005 1 0 "[ ]"
1 36 ASP 0.030 0.030 1 0 "[ ]"
1 37 ALA 0.101 0.101 1 0 "[ ]"
1 38 ASN 0.041 0.027 1 0 "[ ]"
1 39 VAL 0.000 0.000 . 0 "[ ]"
1 40 ASN 0.035 0.033 1 0 "[ ]"
1 41 LEU 0.059 0.032 1 0 "[ ]"
1 42 ALA 0.059 0.032 1 0 "[ ]"
1 43 THR 0.217 0.217 1 0 "[ ]"
1 44 GLU 0.089 0.088 1 0 "[ ]"
1 45 THR 0.058 0.058 1 0 "[ ]"
1 46 VAL 0.137 0.058 1 0 "[ ]"
1 47 ASN 0.019 0.014 1 0 "[ ]"
1 48 VAL 0.000 0.000 . 0 "[ ]"
1 49 ILE 0.001 0.001 1 0 "[ ]"
1 50 TYR 0.118 0.111 1 0 "[ ]"
1 51 ASP 0.146 0.097 1 0 "[ ]"
1 52 PRO 0.000 0.000 . 0 "[ ]"
1 53 ALA 0.030 0.030 1 0 "[ ]"
1 54 GLU 0.097 0.097 1 0 "[ ]"
1 55 THR 0.252 0.148 1 0 "[ ]"
1 56 GLY 0.061 0.061 1 0 "[ ]"
1 57 THR 0.091 0.091 1 0 "[ ]"
1 58 ALA 0.023 0.023 1 0 "[ ]"
1 59 ALA 0.112 0.091 1 0 "[ ]"
1 60 ILE 0.014 0.014 1 0 "[ ]"
1 61 GLN 0.085 0.054 1 0 "[ ]"
1 62 GLU 0.095 0.095 1 0 "[ ]"
1 63 LYS 0.087 0.087 1 0 "[ ]"
1 64 ILE 0.134 0.054 1 0 "[ ]"
1 65 GLU 0.111 0.095 1 0 "[ ]"
1 66 LYS 0.010 0.010 1 0 "[ ]"
1 67 LEU 0.145 0.092 1 0 "[ ]"
1 68 GLY 0.000 0.000 . 0 "[ ]"
1 69 TYR 0.049 0.049 1 0 "[ ]"
1 70 HIS 0.210 0.162 1 0 "[ ]"
1 71 VAL 0.093 0.049 1 0 "[ ]"
1 72 VAL 0.000 0.000 . 0 "[ ]"
1 73 ILE 0.000 0.000 . 0 "[ ]"
1 74 GLU 0.000 0.000 . 0 "[ ]"
1 75 GLY 0.000 0.000 . 0 "[ ]"
1 76 ARG 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER HA 1 4 GLU H . . 3.400 2.201 2.201 2.201 . 0 0 "[ ]" 1
2 1 3 SER HA 1 53 ALA MB . . 7.000 3.756 3.756 3.756 . 0 0 "[ ]" 1
3 1 3 SER QB 1 5 GLN H . . 7.000 5.241 5.241 5.241 . 0 0 "[ ]" 1
4 1 3 SER QB 1 53 ALA H . . 7.000 4.186 4.186 4.186 . 0 0 "[ ]" 1
5 1 4 GLU H 1 4 GLU HB2 . . 4.100 3.779 3.779 3.779 . 0 0 "[ ]" 1
6 1 4 GLU H 1 4 GLU HB3 . . 3.700 3.292 3.292 3.292 . 0 0 "[ ]" 1
7 1 4 GLU H 1 4 GLU HG2 . . 4.500 2.301 2.301 2.301 . 0 0 "[ ]" 1
8 1 4 GLU H 1 4 GLU HG3 . . 4.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
9 1 4 GLU H 1 5 GLN H . . 4.200 4.220 4.220 4.220 0.020 1 0 "[ ]" 1
10 1 4 GLU H 1 52 PRO QD . . 6.880 3.730 3.730 3.730 . 0 0 "[ ]" 1
11 1 4 GLU H 1 53 ALA H . . 5.900 5.930 5.930 5.930 0.030 1 0 "[ ]" 1
12 1 4 GLU HA 1 5 GLN H . . 2.900 2.102 2.102 2.102 . 0 0 "[ ]" 1
13 1 4 GLU HB2 1 5 GLN H . . 4.400 3.336 3.336 3.336 . 0 0 "[ ]" 1
14 1 4 GLU HB3 1 5 GLN H . . 4.700 4.156 4.156 4.156 . 0 0 "[ ]" 1
15 1 4 GLU QG 1 52 PRO QD . . 6.820 4.471 4.471 4.471 . 0 0 "[ ]" 1
16 1 4 GLU HG2 1 5 GLN H . . 5.900 5.222 5.222 5.222 . 0 0 "[ ]" 1
17 1 4 GLU HG2 1 52 PRO HD2 . . 7.750 5.580 5.580 5.580 . 0 0 "[ ]" 1
18 1 4 GLU HG2 1 52 PRO HD3 . . 7.750 6.613 6.613 6.613 . 0 0 "[ ]" 1
19 1 4 GLU HG3 1 5 GLN H . . 5.900 4.629 4.629 4.629 . 0 0 "[ ]" 1
20 1 4 GLU HG3 1 52 PRO HD2 . . 7.750 5.163 5.163 5.163 . 0 0 "[ ]" 1
21 1 4 GLU HG3 1 52 PRO HD3 . . 7.750 5.762 5.762 5.762 . 0 0 "[ ]" 1
22 1 5 GLN H 1 5 GLN HB3 . . 3.500 2.712 2.712 2.712 . 0 0 "[ ]" 1
23 1 5 GLN H 1 5 GLN HG2 . . 4.200 2.013 2.013 2.013 . 0 0 "[ ]" 1
24 1 5 GLN H 1 5 GLN HG3 . . 4.200 3.052 3.052 3.052 . 0 0 "[ ]" 1
25 1 5 GLN H 1 6 LYS H . . 5.400 4.637 4.637 4.637 . 0 0 "[ ]" 1
26 1 5 GLN H 1 51 ASP HA . . 6.000 4.559 4.559 4.559 . 0 0 "[ ]" 1
27 1 5 GLN H 1 52 PRO HD2 . . 6.000 4.683 4.683 4.683 . 0 0 "[ ]" 1
28 1 5 GLN H 1 52 PRO HD3 . . 6.000 5.380 5.380 5.380 . 0 0 "[ ]" 1
29 1 5 GLN HA 1 5 GLN HE21 . . 5.400 4.010 4.010 4.010 . 0 0 "[ ]" 1
30 1 5 GLN HA 1 5 GLN HE22 . . 5.800 5.653 5.653 5.653 . 0 0 "[ ]" 1
31 1 5 GLN HA 1 6 LYS H . . 3.200 2.376 2.376 2.376 . 0 0 "[ ]" 1
32 1 5 GLN HA 1 49 ILE MG . . 7.000 4.678 4.678 4.678 . 0 0 "[ ]" 1
33 1 5 GLN HA 1 50 TYR H . . 5.200 4.820 4.820 4.820 . 0 0 "[ ]" 1
34 1 5 GLN HA 1 51 ASP H . . 6.000 4.845 4.845 4.845 . 0 0 "[ ]" 1
35 1 5 GLN HA 1 51 ASP HA . . 3.300 2.225 2.225 2.225 . 0 0 "[ ]" 1
36 1 5 GLN HA 1 52 PRO HD2 . . 6.000 2.558 2.558 2.558 . 0 0 "[ ]" 1
37 1 5 GLN HA 1 52 PRO HD3 . . 6.000 2.614 2.614 2.614 . 0 0 "[ ]" 1
38 1 5 GLN HB2 1 6 LYS H . . 3.800 2.428 2.428 2.428 . 0 0 "[ ]" 1
39 1 5 GLN HB2 1 50 TYR H . . 6.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
40 1 5 GLN HB2 1 51 ASP HB2 . . 6.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
41 1 5 GLN HB3 1 6 LYS H . . 4.400 3.742 3.742 3.742 . 0 0 "[ ]" 1
42 1 5 GLN HB3 1 50 TYR H . . 6.000 5.167 5.167 5.167 . 0 0 "[ ]" 1
43 1 5 GLN HB3 1 51 ASP HB2 . . 6.000 2.765 2.765 2.765 . 0 0 "[ ]" 1
44 1 5 GLN HE21 1 35 THR HB . . 6.000 4.593 4.593 4.593 . 0 0 "[ ]" 1
45 1 5 GLN HE21 1 35 THR MG . . 7.000 3.402 3.402 3.402 . 0 0 "[ ]" 1
46 1 5 GLN HE21 1 49 ILE MD . . 7.000 5.868 5.868 5.868 . 0 0 "[ ]" 1
47 1 5 GLN HE21 1 49 ILE MG . . 7.000 3.016 3.016 3.016 . 0 0 "[ ]" 1
48 1 5 GLN HE21 1 51 ASP HA . . 6.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
49 1 5 GLN HE21 1 51 ASP HB2 . . 6.000 3.161 3.161 3.161 . 0 0 "[ ]" 1
50 1 5 GLN HE21 1 51 ASP HB3 . . 6.000 4.773 4.773 4.773 . 0 0 "[ ]" 1
51 1 5 GLN HE22 1 6 LYS H . . 6.000 5.708 5.708 5.708 . 0 0 "[ ]" 1
52 1 5 GLN HE22 1 35 THR HB . . 6.000 3.142 3.142 3.142 . 0 0 "[ ]" 1
53 1 5 GLN HE22 1 35 THR MG . . 7.000 2.017 2.017 2.017 . 0 0 "[ ]" 1
54 1 5 GLN HE22 1 49 ILE MD . . 7.000 5.200 5.200 5.200 . 0 0 "[ ]" 1
55 1 5 GLN HE22 1 49 ILE MG . . 7.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
56 1 5 GLN HE22 1 51 ASP HA . . 6.000 5.612 5.612 5.612 . 0 0 "[ ]" 1
57 1 5 GLN HE22 1 51 ASP HB2 . . 6.000 4.529 4.529 4.529 . 0 0 "[ ]" 1
58 1 5 GLN HE22 1 51 ASP HB3 . . 6.000 6.048 6.048 6.048 0.048 1 0 "[ ]" 1
59 1 5 GLN HG2 1 6 LYS H . . 6.000 4.841 4.841 4.841 . 0 0 "[ ]" 1
60 1 5 GLN HG3 1 6 LYS H . . 6.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
61 1 6 LYS H 1 6 LYS HB2 . . 3.500 2.676 2.676 2.676 . 0 0 "[ ]" 1
62 1 6 LYS H 1 6 LYS HB3 . . 4.200 3.548 3.548 3.548 . 0 0 "[ ]" 1
63 1 6 LYS H 1 6 LYS HG2 . . 4.600 4.112 4.112 4.112 . 0 0 "[ ]" 1
64 1 6 LYS H 1 6 LYS HG3 . . 4.800 4.729 4.729 4.729 . 0 0 "[ ]" 1
65 1 6 LYS H 1 7 GLU H . . 4.700 4.303 4.303 4.303 . 0 0 "[ ]" 1
66 1 6 LYS H 1 50 TYR H . . 3.400 2.889 2.889 2.889 . 0 0 "[ ]" 1
67 1 6 LYS H 1 50 TYR HA . . 6.000 4.681 4.681 4.681 . 0 0 "[ ]" 1
68 1 6 LYS H 1 50 TYR HB3 . . 6.000 5.917 5.917 5.917 . 0 0 "[ ]" 1
69 1 6 LYS H 1 51 ASP HA . . 4.100 3.452 3.452 3.452 . 0 0 "[ ]" 1
70 1 6 LYS H 1 52 PRO HD2 . . 5.600 4.235 4.235 4.235 . 0 0 "[ ]" 1
71 1 6 LYS H 1 52 PRO QD . . 5.280 3.061 3.061 3.061 . 0 0 "[ ]" 1
72 1 6 LYS H 1 52 PRO HD3 . . 5.600 3.140 3.140 3.140 . 0 0 "[ ]" 1
73 1 6 LYS HA 1 6 LYS HB2 . . 3.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
74 1 6 LYS HA 1 6 LYS HG2 . . 3.800 2.303 2.303 2.303 . 0 0 "[ ]" 1
75 1 6 LYS HA 1 7 GLU H . . 2.900 2.121 2.121 2.121 . 0 0 "[ ]" 1
76 1 6 LYS HA 1 50 TYR QD . . 8.000 6.397 6.397 6.397 . 0 0 "[ ]" 1
77 1 6 LYS HA 1 50 TYR QE . . 8.000 6.716 6.716 6.716 . 0 0 "[ ]" 1
78 1 6 LYS HB2 1 7 GLU H . . 4.000 4.053 4.053 4.053 0.053 1 0 "[ ]" 1
79 1 6 LYS HB2 1 50 TYR QD . . 8.000 4.814 4.814 4.814 . 0 0 "[ ]" 1
80 1 6 LYS HB2 1 50 TYR QE . . 8.000 4.688 4.688 4.688 . 0 0 "[ ]" 1
81 1 6 LYS HB3 1 6 LYS HG2 . . 3.000 3.023 3.023 3.023 0.023 1 0 "[ ]" 1
82 1 6 LYS HB3 1 7 GLU H . . 3.700 2.903 2.903 2.903 . 0 0 "[ ]" 1
83 1 6 LYS HB3 1 50 TYR H . . 6.000 4.877 4.877 4.877 . 0 0 "[ ]" 1
84 1 6 LYS HB3 1 50 TYR QD . . 8.000 5.349 5.349 5.349 . 0 0 "[ ]" 1
85 1 6 LYS HB3 1 50 TYR QE . . 8.000 4.815 4.815 4.815 . 0 0 "[ ]" 1
86 1 6 LYS QD 1 7 GLU H . . 7.000 2.039 2.039 2.039 . 0 0 "[ ]" 1
87 1 6 LYS QD 1 50 TYR QE . . 9.000 6.130 6.130 6.130 . 0 0 "[ ]" 1
88 1 6 LYS HG2 1 7 GLU H . . 5.800 3.760 3.760 3.760 . 0 0 "[ ]" 1
89 1 6 LYS HG3 1 7 GLU H . . 6.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
90 1 7 GLU H 1 7 GLU HB2 . . 4.000 3.486 3.486 3.486 . 0 0 "[ ]" 1
91 1 7 GLU H 1 7 GLU HB3 . . 4.000 3.086 3.086 3.086 . 0 0 "[ ]" 1
92 1 7 GLU H 1 8 ILE H . . 4.900 4.463 4.463 4.463 . 0 0 "[ ]" 1
93 1 7 GLU H 1 49 ILE HA . . 6.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
94 1 7 GLU H 1 50 TYR H . . 6.000 4.960 4.960 4.960 . 0 0 "[ ]" 1
95 1 7 GLU HA 1 7 GLU HB2 . . 2.900 2.620 2.620 2.620 . 0 0 "[ ]" 1
96 1 7 GLU HA 1 7 GLU HB3 . . 2.900 2.351 2.351 2.351 . 0 0 "[ ]" 1
97 1 7 GLU HA 1 8 ILE H . . 2.800 2.200 2.200 2.200 . 0 0 "[ ]" 1
98 1 7 GLU HA 1 49 ILE HA . . 2.600 2.200 2.200 2.200 . 0 0 "[ ]" 1
99 1 7 GLU HA 1 49 ILE HB . . 6.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
100 1 7 GLU HA 1 49 ILE QG . . 7.000 2.624 2.624 2.624 . 0 0 "[ ]" 1
101 1 7 GLU HA 1 49 ILE MG . . 7.000 3.376 3.376 3.376 . 0 0 "[ ]" 1
102 1 7 GLU HA 1 50 TYR H . . 3.800 3.803 3.803 3.803 0.003 1 0 "[ ]" 1
103 1 7 GLU HA 1 50 TYR QD . . 8.000 5.332 5.332 5.332 . 0 0 "[ ]" 1
104 1 7 GLU HA 1 50 TYR QE . . 8.000 5.552 5.552 5.552 . 0 0 "[ ]" 1
105 1 7 GLU QB 1 8 ILE H . . 4.470 3.209 3.209 3.209 . 0 0 "[ ]" 1
106 1 7 GLU QB 1 48 VAL H . . 6.880 4.396 4.396 4.396 . 0 0 "[ ]" 1
107 1 7 GLU QB 1 49 ILE MD . . 7.880 3.469 3.469 3.469 . 0 0 "[ ]" 1
108 1 7 GLU QB 1 49 ILE QG . . 7.880 2.260 2.260 2.260 . 0 0 "[ ]" 1
109 1 7 GLU HB2 1 8 ILE H . . 4.700 3.357 3.357 3.357 . 0 0 "[ ]" 1
110 1 7 GLU HB3 1 8 ILE H . . 4.700 4.076 4.076 4.076 . 0 0 "[ ]" 1
111 1 7 GLU QG 1 8 ILE H . . 6.600 4.477 4.477 4.477 . 0 0 "[ ]" 1
112 1 7 GLU QG 1 47 ASN HD21 . . 7.000 6.238 6.238 6.238 . 0 0 "[ ]" 1
113 1 7 GLU QG 1 47 ASN HD22 . . 7.000 4.695 4.695 4.695 . 0 0 "[ ]" 1
114 1 7 GLU QG 1 49 ILE MD . . 8.000 4.760 4.760 4.760 . 0 0 "[ ]" 1
115 1 7 GLU QG 1 49 ILE QG . . 8.000 3.786 3.786 3.786 . 0 0 "[ ]" 1
116 1 7 GLU QG 1 50 TYR H . . 7.000 5.886 5.886 5.886 . 0 0 "[ ]" 1
117 1 8 ILE H 1 8 ILE MD . . 4.900 4.099 4.099 4.099 . 0 0 "[ ]" 1
118 1 8 ILE H 1 8 ILE MG . . 4.400 2.590 2.590 2.590 . 0 0 "[ ]" 1
119 1 8 ILE H 1 9 ALA H . . 5.100 4.376 4.376 4.376 . 0 0 "[ ]" 1
120 1 8 ILE H 1 47 ASN QB . . 7.000 5.402 5.402 5.402 . 0 0 "[ ]" 1
121 1 8 ILE H 1 48 VAL H . . 3.100 2.781 2.781 2.781 . 0 0 "[ ]" 1
122 1 8 ILE H 1 49 ILE HA . . 3.900 3.435 3.435 3.435 . 0 0 "[ ]" 1
123 1 8 ILE H 1 49 ILE MG . . 6.900 5.068 5.068 5.068 . 0 0 "[ ]" 1
124 1 8 ILE H 1 50 TYR QD . . 8.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
125 1 8 ILE H 1 50 TYR QE . . 8.000 4.248 4.248 4.248 . 0 0 "[ ]" 1
126 1 8 ILE HA 1 9 ALA H . . 2.800 2.267 2.267 2.267 . 0 0 "[ ]" 1
127 1 8 ILE HB 1 9 ALA H . . 4.200 4.244 4.244 4.244 0.044 1 0 "[ ]" 1
128 1 8 ILE HB 1 48 VAL MG1 . . 7.000 3.794 3.794 3.794 . 0 0 "[ ]" 1
129 1 8 ILE HB 1 48 VAL MG2 . . 7.000 5.682 5.682 5.682 . 0 0 "[ ]" 1
130 1 8 ILE HB 1 50 TYR QD . . 8.000 4.537 4.537 4.537 . 0 0 "[ ]" 1
131 1 8 ILE HB 1 50 TYR QE . . 8.000 2.983 2.983 2.983 . 0 0 "[ ]" 1
132 1 8 ILE MD 1 9 ALA H . . 5.300 3.483 3.483 3.483 . 0 0 "[ ]" 1
133 1 8 ILE MD 1 50 TYR QD . . 9.000 5.256 5.256 5.256 . 0 0 "[ ]" 1
134 1 8 ILE MD 1 50 TYR QE . . 9.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
135 1 8 ILE MD 1 60 ILE MD . . 8.000 5.388 5.388 5.388 . 0 0 "[ ]" 1
136 1 8 ILE MD 1 73 ILE MG . . 8.000 4.058 4.058 4.058 . 0 0 "[ ]" 1
137 1 8 ILE QG 1 9 ALA H . . 6.400 2.384 2.384 2.384 . 0 0 "[ ]" 1
138 1 8 ILE QG 1 10 MET H . . 7.000 5.146 5.146 5.146 . 0 0 "[ ]" 1
139 1 8 ILE QG 1 48 VAL H . . 7.000 5.295 5.295 5.295 . 0 0 "[ ]" 1
140 1 8 ILE QG 1 50 TYR QD . . 9.000 5.742 5.742 5.742 . 0 0 "[ ]" 1
141 1 8 ILE QG 1 50 TYR QE . . 9.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
142 1 8 ILE MG 1 9 ALA H . . 4.800 3.123 3.123 3.123 . 0 0 "[ ]" 1
143 1 8 ILE MG 1 9 ALA HA . . 7.000 3.409 3.409 3.409 . 0 0 "[ ]" 1
144 1 8 ILE MG 1 48 VAL H . . 5.600 2.686 2.686 2.686 . 0 0 "[ ]" 1
145 1 8 ILE MG 1 48 VAL MG1 . . 7.200 1.979 1.979 1.979 . 0 0 "[ ]" 1
146 1 8 ILE MG 1 48 VAL MG2 . . 7.900 4.024 4.024 4.024 . 0 0 "[ ]" 1
147 1 8 ILE MG 1 50 TYR QD . . 9.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
148 1 8 ILE MG 1 50 TYR QE . . 9.000 2.173 2.173 2.173 . 0 0 "[ ]" 1
149 1 8 ILE MG 1 57 THR HB . . 7.000 3.989 3.989 3.989 . 0 0 "[ ]" 1
150 1 8 ILE MG 1 73 ILE MD . . 8.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
151 1 9 ALA H 1 9 ALA MB . . 3.600 2.619 2.619 2.619 . 0 0 "[ ]" 1
152 1 9 ALA H 1 10 MET H . . 5.200 4.194 4.194 4.194 . 0 0 "[ ]" 1
153 1 9 ALA H 1 10 MET HG2 . . 6.000 4.758 4.758 4.758 . 0 0 "[ ]" 1
154 1 9 ALA HA 1 10 MET H . . 2.900 2.215 2.215 2.215 . 0 0 "[ ]" 1
155 1 9 ALA HA 1 45 THR MG . . 7.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
156 1 9 ALA HA 1 46 VAL H . . 5.400 4.460 4.460 4.460 . 0 0 "[ ]" 1
157 1 9 ALA HA 1 47 ASN H . . 6.000 4.601 4.601 4.601 . 0 0 "[ ]" 1
158 1 9 ALA HA 1 47 ASN HA . . 2.400 2.140 2.140 2.140 . 0 0 "[ ]" 1
159 1 9 ALA HA 1 47 ASN QB . . 7.000 3.324 3.324 3.324 . 0 0 "[ ]" 1
160 1 9 ALA HA 1 48 VAL H . . 3.900 3.692 3.692 3.692 . 0 0 "[ ]" 1
161 1 9 ALA MB 1 46 VAL H . . 7.000 4.754 4.754 4.754 . 0 0 "[ ]" 1
162 1 9 ALA MB 1 47 ASN HA . . 7.000 3.193 3.193 3.193 . 0 0 "[ ]" 1
163 1 9 ALA MB 1 47 ASN QB . . 8.000 2.815 2.815 2.815 . 0 0 "[ ]" 1
164 1 9 ALA MB 1 47 ASN HD21 . . 7.000 5.162 5.162 5.162 . 0 0 "[ ]" 1
165 1 9 ALA MB 1 47 ASN HD22 . . 7.000 4.785 4.785 4.785 . 0 0 "[ ]" 1
166 1 9 ALA MB 1 48 VAL H . . 6.000 4.433 4.433 4.433 . 0 0 "[ ]" 1
167 1 10 MET H 1 10 MET HB3 . . 3.600 3.369 3.369 3.369 . 0 0 "[ ]" 1
168 1 10 MET H 1 10 MET HG2 . . 4.100 2.234 2.234 2.234 . 0 0 "[ ]" 1
169 1 10 MET H 1 10 MET HG3 . . 4.300 3.473 3.473 3.473 . 0 0 "[ ]" 1
170 1 10 MET H 1 11 GLN HA . . 6.000 4.678 4.678 4.678 . 0 0 "[ ]" 1
171 1 10 MET H 1 45 THR HA . . 5.200 4.493 4.493 4.493 . 0 0 "[ ]" 1
172 1 10 MET H 1 45 THR HB . . 6.000 5.565 5.565 5.565 . 0 0 "[ ]" 1
173 1 10 MET H 1 45 THR MG . . 5.100 2.599 2.599 2.599 . 0 0 "[ ]" 1
174 1 10 MET H 1 46 VAL H . . 3.300 2.841 2.841 2.841 . 0 0 "[ ]" 1
175 1 10 MET H 1 46 VAL MG1 . . 6.600 3.415 3.415 3.415 . 0 0 "[ ]" 1
176 1 10 MET H 1 46 VAL QG . . 5.470 3.353 3.353 3.353 . 0 0 "[ ]" 1
177 1 10 MET H 1 46 VAL MG2 . . 6.600 4.899 4.899 4.899 . 0 0 "[ ]" 1
178 1 10 MET H 1 47 ASN HA . . 3.600 3.605 3.605 3.605 0.005 1 0 "[ ]" 1
179 1 10 MET H 1 73 ILE MD . . 6.800 5.508 5.508 5.508 . 0 0 "[ ]" 1
180 1 10 MET HA 1 10 MET HG3 . . 4.200 3.789 3.789 3.789 . 0 0 "[ ]" 1
181 1 10 MET HA 1 11 GLN H . . 2.800 2.637 2.637 2.637 . 0 0 "[ ]" 1
182 1 10 MET HA 1 73 ILE HA . . 4.600 4.544 4.544 4.544 . 0 0 "[ ]" 1
183 1 10 MET HB2 1 11 GLN H . . 3.600 2.357 2.357 2.357 . 0 0 "[ ]" 1
184 1 10 MET HB2 1 11 GLN HE21 . . 6.000 3.015 3.015 3.015 . 0 0 "[ ]" 1
185 1 10 MET HB2 1 11 GLN HE22 . . 6.000 3.724 3.724 3.724 . 0 0 "[ ]" 1
186 1 10 MET HB2 1 46 VAL H . . 6.000 5.531 5.531 5.531 . 0 0 "[ ]" 1
187 1 10 MET HB2 1 73 ILE MG . . 7.000 4.207 4.207 4.207 . 0 0 "[ ]" 1
188 1 10 MET HB3 1 11 GLN H . . 4.300 3.805 3.805 3.805 . 0 0 "[ ]" 1
189 1 10 MET HB3 1 73 ILE MG . . 7.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
190 1 10 MET HG2 1 11 GLN H . . 5.900 4.292 4.292 4.292 . 0 0 "[ ]" 1
191 1 10 MET HG2 1 46 VAL H . . 6.000 3.867 3.867 3.867 . 0 0 "[ ]" 1
192 1 10 MET HG2 1 71 VAL MG1 . . 7.000 5.344 5.344 5.344 . 0 0 "[ ]" 1
193 1 10 MET HG2 1 71 VAL MG2 . . 7.000 3.344 3.344 3.344 . 0 0 "[ ]" 1
194 1 10 MET HG3 1 11 GLN H . . 5.400 3.291 3.291 3.291 . 0 0 "[ ]" 1
195 1 10 MET HG3 1 11 GLN HE21 . . 5.600 4.568 4.568 4.568 . 0 0 "[ ]" 1
196 1 10 MET HG3 1 11 GLN HE22 . . 5.600 5.717 5.717 5.717 0.117 1 0 "[ ]" 1
197 1 10 MET HG3 1 46 VAL H . . 6.000 4.305 4.305 4.305 . 0 0 "[ ]" 1
198 1 11 GLN H 1 12 VAL H . . 4.800 4.508 4.508 4.508 . 0 0 "[ ]" 1
199 1 11 GLN H 1 45 THR MG . . 7.000 4.490 4.490 4.490 . 0 0 "[ ]" 1
200 1 11 GLN H 1 71 VAL MG1 . . 7.000 5.760 5.760 5.760 . 0 0 "[ ]" 1
201 1 11 GLN H 1 71 VAL MG2 . . 7.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
202 1 11 GLN H 1 72 VAL H . . 4.300 3.466 3.466 3.466 . 0 0 "[ ]" 1
203 1 11 GLN H 1 72 VAL HA . . 6.000 5.369 5.369 5.369 . 0 0 "[ ]" 1
204 1 11 GLN H 1 72 VAL MG1 . . 7.000 5.330 5.330 5.330 . 0 0 "[ ]" 1
205 1 11 GLN H 1 72 VAL MG2 . . 6.300 2.810 2.810 2.810 . 0 0 "[ ]" 1
206 1 11 GLN H 1 73 ILE HA . . 5.500 4.331 4.331 4.331 . 0 0 "[ ]" 1
207 1 11 GLN HA 1 11 GLN HE21 . . 5.800 3.792 3.792 3.792 . 0 0 "[ ]" 1
208 1 11 GLN HA 1 11 GLN HE22 . . 5.700 5.309 5.309 5.309 . 0 0 "[ ]" 1
209 1 11 GLN HA 1 12 VAL H . . 2.900 2.325 2.325 2.325 . 0 0 "[ ]" 1
210 1 11 GLN HA 1 45 THR HA . . 2.900 2.094 2.094 2.094 . 0 0 "[ ]" 1
211 1 11 GLN HA 1 45 THR MG . . 7.000 3.516 3.516 3.516 . 0 0 "[ ]" 1
212 1 11 GLN HA 1 46 VAL H . . 4.000 3.398 3.398 3.398 . 0 0 "[ ]" 1
213 1 11 GLN QB 1 13 SER H . . 7.000 5.516 5.516 5.516 . 0 0 "[ ]" 1
214 1 11 GLN QB 1 45 THR HB . . 7.000 5.551 5.551 5.551 . 0 0 "[ ]" 1
215 1 11 GLN QB 1 46 VAL H . . 7.000 5.205 5.205 5.205 . 0 0 "[ ]" 1
216 1 11 GLN QB 1 72 VAL H . . 7.000 3.952 3.952 3.952 . 0 0 "[ ]" 1
217 1 11 GLN QB 1 72 VAL MG1 . . 8.000 4.333 4.333 4.333 . 0 0 "[ ]" 1
218 1 11 GLN HE21 1 45 THR MG . . 7.000 4.304 4.304 4.304 . 0 0 "[ ]" 1
219 1 11 GLN HE21 1 72 VAL H . . 6.000 4.983 4.983 4.983 . 0 0 "[ ]" 1
220 1 11 GLN HE21 1 72 VAL MG1 . . 7.000 5.941 5.941 5.941 . 0 0 "[ ]" 1
221 1 11 GLN HE22 1 45 THR MG . . 6.900 5.693 5.693 5.693 . 0 0 "[ ]" 1
222 1 11 GLN HE22 1 72 VAL H . . 6.000 5.370 5.370 5.370 . 0 0 "[ ]" 1
223 1 11 GLN HE22 1 72 VAL MG1 . . 7.000 5.446 5.446 5.446 . 0 0 "[ ]" 1
224 1 11 GLN QG 1 12 VAL H . . 7.000 4.360 4.360 4.360 . 0 0 "[ ]" 1
225 1 11 GLN QG 1 45 THR HA . . 7.000 3.802 3.802 3.802 . 0 0 "[ ]" 1
226 1 11 GLN QG 1 72 VAL HB . . 7.000 5.279 5.279 5.279 . 0 0 "[ ]" 1
227 1 12 VAL H 1 12 VAL HB . . 3.400 3.063 3.063 3.063 . 0 0 "[ ]" 1
228 1 12 VAL H 1 13 SER H . . 4.700 4.470 4.470 4.470 . 0 0 "[ ]" 1
229 1 12 VAL H 1 44 GLU HA . . 6.000 4.973 4.973 4.973 . 0 0 "[ ]" 1
230 1 12 VAL H 1 44 GLU QB . . 5.980 4.069 4.069 4.069 . 0 0 "[ ]" 1
231 1 12 VAL H 1 45 THR H . . 6.000 5.220 5.220 5.220 . 0 0 "[ ]" 1
232 1 12 VAL H 1 45 THR HA . . 3.600 3.346 3.346 3.346 . 0 0 "[ ]" 1
233 1 12 VAL H 1 45 THR MG . . 7.000 5.282 5.282 5.282 . 0 0 "[ ]" 1
234 1 12 VAL H 1 46 VAL H . . 4.700 4.718 4.718 4.718 0.018 1 0 "[ ]" 1
235 1 12 VAL H 1 46 VAL QG . . 8.160 4.217 4.217 4.217 . 0 0 "[ ]" 1
236 1 12 VAL HA 1 13 SER H . . 2.900 2.292 2.292 2.292 . 0 0 "[ ]" 1
237 1 12 VAL HA 1 71 VAL HA . . 2.700 2.151 2.151 2.151 . 0 0 "[ ]" 1
238 1 12 VAL HA 1 71 VAL HB . . 6.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
239 1 12 VAL HA 1 71 VAL MG1 . . 7.000 4.918 4.918 4.918 . 0 0 "[ ]" 1
240 1 12 VAL HA 1 71 VAL MG2 . . 7.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
241 1 12 VAL HA 1 72 VAL H . . 3.600 3.066 3.066 3.066 . 0 0 "[ ]" 1
242 1 12 VAL HB 1 13 SER H . . 4.400 3.386 3.386 3.386 . 0 0 "[ ]" 1
243 1 12 VAL HB 1 15 MET HG2 . . 6.000 5.116 5.116 5.116 . 0 0 "[ ]" 1
244 1 12 VAL HB 1 70 HIS H . . 6.000 6.048 6.048 6.048 0.048 1 0 "[ ]" 1
245 1 12 VAL MG1 1 13 SER H . . 4.500 2.090 2.090 2.090 . 0 0 "[ ]" 1
246 1 12 VAL MG1 1 14 GLY H . . 7.000 5.137 5.137 5.137 . 0 0 "[ ]" 1
247 1 12 VAL MG1 1 24 ILE MD . . 8.000 2.136 2.136 2.136 . 0 0 "[ ]" 1
248 1 12 VAL MG1 1 45 THR HA . . 7.000 5.849 5.849 5.849 . 0 0 "[ ]" 1
249 1 12 VAL MG1 1 46 VAL H . . 6.900 5.784 5.784 5.784 . 0 0 "[ ]" 1
250 1 12 VAL MG1 1 69 TYR HB2 . . 7.000 3.337 3.337 3.337 . 0 0 "[ ]" 1
251 1 12 VAL MG1 1 69 TYR HB3 . . 7.000 2.788 2.788 2.788 . 0 0 "[ ]" 1
252 1 12 VAL MG1 1 70 HIS H . . 4.400 3.558 3.558 3.558 . 0 0 "[ ]" 1
253 1 12 VAL MG1 1 71 VAL HA . . 7.000 2.489 2.489 2.489 . 0 0 "[ ]" 1
254 1 12 VAL MG1 1 71 VAL HB . . 7.000 2.653 2.653 2.653 . 0 0 "[ ]" 1
255 1 12 VAL MG1 1 71 VAL MG1 . . 8.000 4.048 4.048 4.048 . 0 0 "[ ]" 1
256 1 12 VAL MG1 1 71 VAL MG2 . . 8.000 2.877 2.877 2.877 . 0 0 "[ ]" 1
257 1 12 VAL MG2 1 13 SER H . . 5.700 4.150 4.150 4.150 . 0 0 "[ ]" 1
258 1 12 VAL MG2 1 15 MET HG2 . . 7.000 5.827 5.827 5.827 . 0 0 "[ ]" 1
259 1 12 VAL MG2 1 24 ILE MG . . 8.000 3.609 3.609 3.609 . 0 0 "[ ]" 1
260 1 12 VAL MG2 1 69 TYR QD . . 9.000 5.765 5.765 5.765 . 0 0 "[ ]" 1
261 1 12 VAL MG2 1 69 TYR QE . . 9.000 6.695 6.695 6.695 . 0 0 "[ ]" 1
262 1 12 VAL MG2 1 71 VAL HB . . 7.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
263 1 12 VAL MG2 1 71 VAL MG1 . . 7.900 4.740 4.740 4.740 . 0 0 "[ ]" 1
264 1 12 VAL MG2 1 72 VAL H . . 5.100 4.279 4.279 4.279 . 0 0 "[ ]" 1
265 1 13 SER H 1 14 GLY H . . 5.200 4.448 4.448 4.448 . 0 0 "[ ]" 1
266 1 13 SER H 1 69 TYR HA . . 5.700 5.503 5.503 5.503 . 0 0 "[ ]" 1
267 1 13 SER H 1 69 TYR HB2 . . 6.000 5.130 5.130 5.130 . 0 0 "[ ]" 1
268 1 13 SER H 1 69 TYR QD . . 8.000 4.812 4.812 4.812 . 0 0 "[ ]" 1
269 1 13 SER H 1 70 HIS H . . 3.600 3.382 3.382 3.382 . 0 0 "[ ]" 1
270 1 13 SER H 1 70 HIS HB2 . . 6.000 5.798 5.798 5.798 . 0 0 "[ ]" 1
271 1 13 SER H 1 70 HIS HB3 . . 6.000 5.882 5.882 5.882 . 0 0 "[ ]" 1
272 1 13 SER H 1 71 VAL HA . . 4.000 3.205 3.205 3.205 . 0 0 "[ ]" 1
273 1 13 SER H 1 72 VAL H . . 5.100 4.668 4.668 4.668 . 0 0 "[ ]" 1
274 1 13 SER HA 1 14 GLY H . . 3.000 2.269 2.269 2.269 . 0 0 "[ ]" 1
275 1 13 SER QB 1 14 GLY H . . 4.320 3.647 3.647 3.647 . 0 0 "[ ]" 1
276 1 13 SER QB 1 15 MET H . . 6.880 4.894 4.894 4.894 . 0 0 "[ ]" 1
277 1 13 SER QB 1 72 VAL MG1 . . 7.880 3.650 3.650 3.650 . 0 0 "[ ]" 1
278 1 13 SER QB 1 72 VAL MG2 . . 7.880 3.255 3.255 3.255 . 0 0 "[ ]" 1
279 1 13 SER HB2 1 14 GLY H . . 4.600 4.388 4.388 4.388 . 0 0 "[ ]" 1
280 1 13 SER HB2 1 70 HIS H . . 6.000 4.359 4.359 4.359 . 0 0 "[ ]" 1
281 1 13 SER HB2 1 70 HIS HB2 . . 6.000 5.704 5.704 5.704 . 0 0 "[ ]" 1
282 1 13 SER HB2 1 70 HIS HB3 . . 6.000 5.797 5.797 5.797 . 0 0 "[ ]" 1
283 1 13 SER HB2 1 70 HIS HD2 . . 6.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
284 1 13 SER HB2 1 71 VAL H . . 6.000 6.029 6.029 6.029 0.029 1 0 "[ ]" 1
285 1 13 SER HB3 1 14 GLY H . . 4.600 3.898 3.898 3.898 . 0 0 "[ ]" 1
286 1 13 SER HB3 1 70 HIS H . . 6.000 2.930 2.930 2.930 . 0 0 "[ ]" 1
287 1 13 SER HB3 1 70 HIS HB2 . . 6.000 5.107 5.107 5.107 . 0 0 "[ ]" 1
288 1 13 SER HB3 1 70 HIS HB3 . . 6.000 4.723 4.723 4.723 . 0 0 "[ ]" 1
289 1 13 SER HB3 1 70 HIS HD2 . . 6.000 2.180 2.180 2.180 . 0 0 "[ ]" 1
290 1 13 SER HB3 1 71 VAL H . . 6.000 5.722 5.722 5.722 . 0 0 "[ ]" 1
291 1 14 GLY H 1 15 MET H . . 3.500 2.874 2.874 2.874 . 0 0 "[ ]" 1
292 1 14 GLY H 1 15 MET QG . . 7.000 4.791 4.791 4.791 . 0 0 "[ ]" 1
293 1 14 GLY H 1 69 TYR QD . . 8.000 4.605 4.605 4.605 . 0 0 "[ ]" 1
294 1 14 GLY QA 1 69 TYR HA . . 5.580 4.051 4.051 4.051 . 0 0 "[ ]" 1
295 1 14 GLY QA 1 69 TYR HB3 . . 6.880 3.940 3.940 3.940 . 0 0 "[ ]" 1
296 1 14 GLY QA 1 69 TYR QD . . 8.880 2.418 2.418 2.418 . 0 0 "[ ]" 1
297 1 14 GLY QA 1 69 TYR QE . . 8.880 3.622 3.622 3.622 . 0 0 "[ ]" 1
298 1 14 GLY QA 1 70 HIS H . . 6.880 4.469 4.469 4.469 . 0 0 "[ ]" 1
299 1 15 MET H 1 15 MET HB2 . . 3.700 3.634 3.634 3.634 . 0 0 "[ ]" 1
300 1 15 MET H 1 15 MET HB3 . . 3.700 2.512 2.512 2.512 . 0 0 "[ ]" 1
301 1 15 MET H 1 15 MET HG2 . . 4.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
302 1 15 MET H 1 15 MET HG3 . . 5.200 3.907 3.907 3.907 . 0 0 "[ ]" 1
303 1 15 MET H 1 16 THR H . . 5.200 4.601 4.601 4.601 . 0 0 "[ ]" 1
304 1 15 MET H 1 16 THR MG . . 7.000 4.854 4.854 4.854 . 0 0 "[ ]" 1
305 1 15 MET H 1 17 CYS H . . 6.000 5.556 5.556 5.556 . 0 0 "[ ]" 1
306 1 15 MET H 1 24 ILE MD . . 7.000 3.923 3.923 3.923 . 0 0 "[ ]" 1
307 1 15 MET H 1 41 LEU MD1 . . 7.000 5.847 5.847 5.847 . 0 0 "[ ]" 1
308 1 15 MET H 1 41 LEU MD2 . . 7.000 5.272 5.272 5.272 . 0 0 "[ ]" 1
309 1 15 MET H 1 69 TYR QD . . 8.000 3.152 3.152 3.152 . 0 0 "[ ]" 1
310 1 15 MET HA 1 20 CYS HB2 . . 6.000 3.006 3.006 3.006 . 0 0 "[ ]" 1
311 1 15 MET HA 1 20 CYS HB3 . . 6.000 2.864 2.864 2.864 . 0 0 "[ ]" 1
312 1 15 MET HA 1 69 TYR QD . . 8.000 3.686 3.686 3.686 . 0 0 "[ ]" 1
313 1 15 MET HA 1 69 TYR QE . . 8.000 2.472 2.472 2.472 . 0 0 "[ ]" 1
314 1 15 MET QB 1 17 CYS H . . 5.230 2.940 2.940 2.940 . 0 0 "[ ]" 1
315 1 15 MET QB 1 20 CYS HB2 . . 6.880 2.969 2.969 2.969 . 0 0 "[ ]" 1
316 1 15 MET QB 1 20 CYS HB3 . . 6.880 3.696 3.696 3.696 . 0 0 "[ ]" 1
317 1 15 MET QB 1 24 ILE MD . . 7.880 3.025 3.025 3.025 . 0 0 "[ ]" 1
318 1 15 MET QB 1 41 LEU MD1 . . 7.880 2.739 2.739 2.739 . 0 0 "[ ]" 1
319 1 15 MET QB 1 44 GLU QB . . 7.350 5.867 5.867 5.867 . 0 0 "[ ]" 1
320 1 15 MET QB 1 44 GLU QG . . 7.880 5.843 5.843 5.843 . 0 0 "[ ]" 1
321 1 15 MET QB 1 69 TYR QD . . 8.880 4.184 4.184 4.184 . 0 0 "[ ]" 1
322 1 15 MET QB 1 69 TYR QE . . 8.880 4.015 4.015 4.015 . 0 0 "[ ]" 1
323 1 15 MET HB2 1 17 CYS H . . 6.000 2.974 2.974 2.974 . 0 0 "[ ]" 1
324 1 15 MET HB2 1 41 LEU MD2 . . 7.000 3.214 3.214 3.214 . 0 0 "[ ]" 1
325 1 15 MET HB3 1 17 CYS H . . 6.000 4.615 4.615 4.615 . 0 0 "[ ]" 1
326 1 15 MET HB3 1 41 LEU MD2 . . 7.000 3.542 3.542 3.542 . 0 0 "[ ]" 1
327 1 15 MET HG2 1 17 CYS HB2 . . 6.000 5.255 5.255 5.255 . 0 0 "[ ]" 1
328 1 15 MET HG2 1 21 ALA H . . 6.000 5.359 5.359 5.359 . 0 0 "[ ]" 1
329 1 15 MET HG2 1 24 ILE MD . . 7.000 5.651 5.651 5.651 . 0 0 "[ ]" 1
330 1 15 MET HG2 1 41 LEU MD1 . . 7.000 3.656 3.656 3.656 . 0 0 "[ ]" 1
331 1 15 MET HG2 1 69 TYR QD . . 8.000 6.356 6.356 6.356 . 0 0 "[ ]" 1
332 1 15 MET HG2 1 69 TYR QE . . 8.000 6.093 6.093 6.093 . 0 0 "[ ]" 1
333 1 15 MET HG3 1 17 CYS HB2 . . 6.000 6.034 6.034 6.034 0.034 1 0 "[ ]" 1
334 1 15 MET HG3 1 21 ALA MB . . 7.000 3.027 3.027 3.027 . 0 0 "[ ]" 1
335 1 15 MET HG3 1 24 ILE MD . . 7.000 5.047 5.047 5.047 . 0 0 "[ ]" 1
336 1 15 MET HG3 1 44 GLU H . . 5.800 5.888 5.888 5.888 0.088 1 0 "[ ]" 1
337 1 16 THR H 1 17 CYS H . . 3.600 3.050 3.050 3.050 . 0 0 "[ ]" 1
338 1 16 THR H 1 20 CYS H . . 6.000 4.771 4.771 4.771 . 0 0 "[ ]" 1
339 1 16 THR H 1 20 CYS HB2 . . 6.000 2.608 2.608 2.608 . 0 0 "[ ]" 1
340 1 16 THR H 1 20 CYS HB3 . . 6.000 2.952 2.952 2.952 . 0 0 "[ ]" 1
341 1 16 THR H 1 69 TYR QE . . 8.000 3.495 3.495 3.495 . 0 0 "[ ]" 1
342 1 16 THR HB 1 17 CYS H . . 5.500 4.469 4.469 4.469 . 0 0 "[ ]" 1
343 1 16 THR MG 1 17 CYS H . . 6.300 4.334 4.334 4.334 . 0 0 "[ ]" 1
344 1 17 CYS H 1 20 CYS H . . 4.600 4.629 4.629 4.629 0.029 1 0 "[ ]" 1
345 1 17 CYS H 1 20 CYS HB2 . . 4.400 3.473 3.473 3.473 . 0 0 "[ ]" 1
346 1 17 CYS H 1 20 CYS HB3 . . 5.000 4.944 4.944 4.944 . 0 0 "[ ]" 1
347 1 17 CYS H 1 41 LEU MD1 . . 7.000 3.147 3.147 3.147 . 0 0 "[ ]" 1
348 1 17 CYS H 1 41 LEU MD2 . . 7.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
349 1 17 CYS H 1 69 TYR QE . . 8.000 6.109 6.109 6.109 . 0 0 "[ ]" 1
350 1 17 CYS HB3 1 20 CYS HB2 . . 6.000 5.887 5.887 5.887 . 0 0 "[ ]" 1
351 1 19 ALA H 1 20 CYS H . . 3.900 2.901 2.901 2.901 . 0 0 "[ ]" 1
352 1 19 ALA HA 1 21 ALA H . . 5.500 4.471 4.471 4.471 . 0 0 "[ ]" 1
353 1 19 ALA HA 1 22 ALA H . . 4.400 3.108 3.108 3.108 . 0 0 "[ ]" 1
354 1 19 ALA HA 1 22 ALA MB . . 3.700 2.280 2.280 2.280 . 0 0 "[ ]" 1
355 1 19 ALA MB 1 22 ALA MB . . 8.000 2.405 2.405 2.405 . 0 0 "[ ]" 1
356 1 19 ALA MB 1 23 ARG QB . . 8.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
357 1 19 ALA MB 1 23 ARG QD . . 8.000 4.752 4.752 4.752 . 0 0 "[ ]" 1
358 1 20 CYS H 1 20 CYS HB2 . . 3.700 2.431 2.431 2.431 . 0 0 "[ ]" 1
359 1 20 CYS H 1 21 ALA H . . 3.400 2.792 2.792 2.792 . 0 0 "[ ]" 1
360 1 20 CYS H 1 21 ALA HA . . 6.000 5.350 5.350 5.350 . 0 0 "[ ]" 1
361 1 20 CYS H 1 22 ALA H . . 5.300 3.674 3.674 3.674 . 0 0 "[ ]" 1
362 1 20 CYS H 1 22 ALA MB . . 5.000 4.213 4.213 4.213 . 0 0 "[ ]" 1
363 1 20 CYS H 1 23 ARG QB . . 7.000 5.215 5.215 5.215 . 0 0 "[ ]" 1
364 1 20 CYS H 1 41 LEU MD1 . . 7.000 3.871 3.871 3.871 . 0 0 "[ ]" 1
365 1 20 CYS H 1 41 LEU MD2 . . 7.000 5.709 5.709 5.709 . 0 0 "[ ]" 1
366 1 20 CYS HA 1 20 CYS HB3 . . 3.000 2.528 2.528 2.528 . 0 0 "[ ]" 1
367 1 20 CYS HA 1 22 ALA H . . 5.700 4.332 4.332 4.332 . 0 0 "[ ]" 1
368 1 20 CYS HA 1 22 ALA MB . . 6.100 4.691 4.691 4.691 . 0 0 "[ ]" 1
369 1 20 CYS HA 1 23 ARG H . . 4.100 3.432 3.432 3.432 . 0 0 "[ ]" 1
370 1 20 CYS HA 1 23 ARG QB . . 5.200 2.895 2.895 2.895 . 0 0 "[ ]" 1
371 1 20 CYS HA 1 23 ARG QG . . 6.880 3.111 3.111 3.111 . 0 0 "[ ]" 1
372 1 20 CYS HA 1 24 ILE H . . 5.500 4.233 4.233 4.233 . 0 0 "[ ]" 1
373 1 20 CYS HA 1 69 TYR QE . . 8.000 4.876 4.876 4.876 . 0 0 "[ ]" 1
374 1 20 CYS HB2 1 21 ALA H . . 3.700 2.295 2.295 2.295 . 0 0 "[ ]" 1
375 1 20 CYS HB2 1 21 ALA HA . . 4.700 4.511 4.511 4.511 . 0 0 "[ ]" 1
376 1 20 CYS HB2 1 22 ALA H . . 6.000 4.658 4.658 4.658 . 0 0 "[ ]" 1
377 1 20 CYS HB2 1 24 ILE MD . . 7.000 4.592 4.592 4.592 . 0 0 "[ ]" 1
378 1 20 CYS HB2 1 69 TYR QD . . 8.000 6.054 6.054 6.054 . 0 0 "[ ]" 1
379 1 20 CYS HB2 1 69 TYR QE . . 8.000 4.329 4.329 4.329 . 0 0 "[ ]" 1
380 1 20 CYS HB3 1 21 ALA H . . 4.300 3.172 3.172 3.172 . 0 0 "[ ]" 1
381 1 20 CYS HB3 1 23 ARG QB . . 7.000 4.619 4.619 4.619 . 0 0 "[ ]" 1
382 1 20 CYS HB3 1 24 ILE MD . . 7.000 3.777 3.777 3.777 . 0 0 "[ ]" 1
383 1 20 CYS HB3 1 69 TYR QD . . 8.000 4.996 4.996 4.996 . 0 0 "[ ]" 1
384 1 20 CYS HB3 1 69 TYR QE . . 8.000 3.111 3.111 3.111 . 0 0 "[ ]" 1
385 1 21 ALA H 1 21 ALA MB . . 3.400 2.202 2.202 2.202 . 0 0 "[ ]" 1
386 1 21 ALA H 1 22 ALA H . . 3.500 2.725 2.725 2.725 . 0 0 "[ ]" 1
387 1 21 ALA H 1 23 ARG H . . 5.300 4.363 4.363 4.363 . 0 0 "[ ]" 1
388 1 21 ALA H 1 23 ARG QG . . 6.880 5.669 5.669 5.669 . 0 0 "[ ]" 1
389 1 21 ALA H 1 24 ILE H . . 6.000 4.682 4.682 4.682 . 0 0 "[ ]" 1
390 1 21 ALA H 1 24 ILE MD . . 7.000 4.011 4.011 4.011 . 0 0 "[ ]" 1
391 1 21 ALA H 1 24 ILE QG . . 6.880 4.353 4.353 4.353 . 0 0 "[ ]" 1
392 1 21 ALA H 1 41 LEU MD1 . . 6.500 3.048 3.048 3.048 . 0 0 "[ ]" 1
393 1 21 ALA H 1 41 LEU MD2 . . 5.900 3.879 3.879 3.879 . 0 0 "[ ]" 1
394 1 21 ALA HA 1 23 ARG H . . 5.700 4.424 4.424 4.424 . 0 0 "[ ]" 1
395 1 21 ALA HA 1 24 ILE H . . 4.500 3.099 3.099 3.099 . 0 0 "[ ]" 1
396 1 21 ALA HA 1 24 ILE HB . . 4.700 2.437 2.437 2.437 . 0 0 "[ ]" 1
397 1 21 ALA HA 1 24 ILE MD . . 7.000 2.089 2.089 2.089 . 0 0 "[ ]" 1
398 1 21 ALA HA 1 24 ILE HG12 . . 6.000 3.971 3.971 3.971 . 0 0 "[ ]" 1
399 1 21 ALA HA 1 24 ILE HG13 . . 6.000 2.568 2.568 2.568 . 0 0 "[ ]" 1
400 1 21 ALA HA 1 25 GLU H . . 5.200 3.835 3.835 3.835 . 0 0 "[ ]" 1
401 1 21 ALA HA 1 39 VAL MG2 . . 7.000 4.048 4.048 4.048 . 0 0 "[ ]" 1
402 1 21 ALA MB 1 39 VAL MG1 . . 8.000 3.709 3.709 3.709 . 0 0 "[ ]" 1
403 1 21 ALA MB 1 39 VAL MG2 . . 8.000 1.937 1.937 1.937 . 0 0 "[ ]" 1
404 1 21 ALA MB 1 41 LEU MD1 . . 8.000 2.398 2.398 2.398 . 0 0 "[ ]" 1
405 1 21 ALA MB 1 41 LEU MD2 . . 8.000 1.987 1.987 1.987 . 0 0 "[ ]" 1
406 1 21 ALA MB 1 46 VAL QG . . 9.560 3.407 3.407 3.407 . 0 0 "[ ]" 1
407 1 22 ALA H 1 23 ARG H . . 3.300 2.804 2.804 2.804 . 0 0 "[ ]" 1
408 1 22 ALA H 1 23 ARG QB . . 7.000 4.702 4.702 4.702 . 0 0 "[ ]" 1
409 1 22 ALA H 1 23 ARG QG . . 6.880 4.729 4.729 4.729 . 0 0 "[ ]" 1
410 1 22 ALA H 1 24 ILE HB . . 5.400 5.047 5.047 5.047 . 0 0 "[ ]" 1
411 1 22 ALA H 1 26 LYS H . . 6.000 5.842 5.842 5.842 . 0 0 "[ ]" 1
412 1 22 ALA H 1 39 VAL MG1 . . 7.000 3.698 3.698 3.698 . 0 0 "[ ]" 1
413 1 22 ALA H 1 41 LEU MD2 . . 7.000 4.757 4.757 4.757 . 0 0 "[ ]" 1
414 1 22 ALA HA 1 24 ILE H . . 6.000 4.599 4.599 4.599 . 0 0 "[ ]" 1
415 1 22 ALA HA 1 25 GLU H . . 4.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
416 1 22 ALA HA 1 25 GLU HB2 . . 3.700 3.744 3.744 3.744 0.044 1 0 "[ ]" 1
417 1 22 ALA HA 1 25 GLU HB3 . . 4.300 3.796 3.796 3.796 . 0 0 "[ ]" 1
418 1 22 ALA HA 1 25 GLU QG . . 7.000 5.269 5.269 5.269 . 0 0 "[ ]" 1
419 1 22 ALA HA 1 26 LYS H . . 4.500 3.793 3.793 3.793 . 0 0 "[ ]" 1
420 1 22 ALA HA 1 39 VAL HB . . 6.000 2.957 2.957 2.957 . 0 0 "[ ]" 1
421 1 22 ALA MB 1 25 GLU H . . 5.800 4.848 4.848 4.848 . 0 0 "[ ]" 1
422 1 22 ALA MB 1 26 LYS HB2 . . 7.000 4.499 4.499 4.499 . 0 0 "[ ]" 1
423 1 23 ARG H 1 23 ARG HG2 . . 4.000 2.499 2.499 2.499 . 0 0 "[ ]" 1
424 1 23 ARG H 1 23 ARG QG . . 3.800 2.424 2.424 2.424 . 0 0 "[ ]" 1
425 1 23 ARG H 1 23 ARG HG3 . . 4.000 3.272 3.272 3.272 . 0 0 "[ ]" 1
426 1 23 ARG H 1 24 ILE H . . 3.700 2.821 2.821 2.821 . 0 0 "[ ]" 1
427 1 23 ARG H 1 24 ILE HA . . 5.900 5.419 5.419 5.419 . 0 0 "[ ]" 1
428 1 23 ARG H 1 26 LYS H . . 5.300 4.720 4.720 4.720 . 0 0 "[ ]" 1
429 1 23 ARG HA 1 23 ARG HG2 . . 4.100 2.562 2.562 2.562 . 0 0 "[ ]" 1
430 1 23 ARG HA 1 23 ARG QG . . 3.810 2.519 2.519 2.519 . 0 0 "[ ]" 1
431 1 23 ARG HA 1 23 ARG HG3 . . 4.100 3.718 3.718 3.718 . 0 0 "[ ]" 1
432 1 23 ARG HA 1 26 LYS H . . 4.700 3.584 3.584 3.584 . 0 0 "[ ]" 1
433 1 23 ARG HA 1 26 LYS HB2 . . 4.300 2.435 2.435 2.435 . 0 0 "[ ]" 1
434 1 23 ARG HA 1 26 LYS HB3 . . 4.100 3.877 3.877 3.877 . 0 0 "[ ]" 1
435 1 23 ARG HA 1 27 GLY H . . 5.000 3.982 3.982 3.982 . 0 0 "[ ]" 1
436 1 23 ARG HA 1 27 GLY HA3 . . 5.800 5.819 5.819 5.819 0.019 1 0 "[ ]" 1
437 1 23 ARG QB 1 27 GLY H . . 7.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
438 1 23 ARG QD 1 24 ILE H . . 7.000 4.996 4.996 4.996 . 0 0 "[ ]" 1
439 1 23 ARG QG 1 24 ILE H . . 5.790 4.139 4.139 4.139 . 0 0 "[ ]" 1
440 1 23 ARG QG 1 69 TYR QE . . 8.880 5.894 5.894 5.894 . 0 0 "[ ]" 1
441 1 23 ARG HG2 1 24 ILE H . . 6.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
442 1 23 ARG HG3 1 24 ILE H . . 6.000 4.724 4.724 4.724 . 0 0 "[ ]" 1
443 1 24 ILE H 1 24 ILE HB . . 3.100 2.654 2.654 2.654 . 0 0 "[ ]" 1
444 1 24 ILE H 1 24 ILE MD . . 4.800 3.626 3.626 3.626 . 0 0 "[ ]" 1
445 1 24 ILE H 1 24 ILE HG12 . . 5.700 3.335 3.335 3.335 . 0 0 "[ ]" 1
446 1 24 ILE H 1 24 ILE HG13 . . 5.700 2.105 2.105 2.105 . 0 0 "[ ]" 1
447 1 24 ILE H 1 25 GLU H . . 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 1
448 1 24 ILE H 1 46 VAL QG . . 8.560 5.808 5.808 5.808 . 0 0 "[ ]" 1
449 1 24 ILE H 1 67 LEU QD . . 7.770 4.268 4.268 4.268 . 0 0 "[ ]" 1
450 1 24 ILE HA 1 24 ILE QG . . 3.710 2.438 2.438 2.438 . 0 0 "[ ]" 1
451 1 24 ILE HA 1 26 LYS H . . 5.100 4.729 4.729 4.729 . 0 0 "[ ]" 1
452 1 24 ILE HA 1 27 GLY H . . 4.100 3.825 3.825 3.825 . 0 0 "[ ]" 1
453 1 24 ILE HA 1 28 LEU H . . 6.000 4.907 4.907 4.907 . 0 0 "[ ]" 1
454 1 24 ILE HA 1 67 LEU HB3 . . 6.000 2.800 2.800 2.800 . 0 0 "[ ]" 1
455 1 24 ILE HA 1 67 LEU MD1 . . 7.000 2.581 2.581 2.581 . 0 0 "[ ]" 1
456 1 24 ILE HA 1 67 LEU MD2 . . 7.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
457 1 24 ILE HA 1 69 TYR QD . . 8.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
458 1 24 ILE HA 1 69 TYR QE . . 8.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
459 1 24 ILE HB 1 25 GLU H . . 3.700 2.229 2.229 2.229 . 0 0 "[ ]" 1
460 1 24 ILE HB 1 64 ILE MD . . 7.000 3.975 3.975 3.975 . 0 0 "[ ]" 1
461 1 24 ILE HB 1 64 ILE MG . . 7.000 4.973 4.973 4.973 . 0 0 "[ ]" 1
462 1 24 ILE HB 1 67 LEU HB2 . . 6.000 5.794 5.794 5.794 . 0 0 "[ ]" 1
463 1 24 ILE HB 1 67 LEU HG . . 6.000 4.921 4.921 4.921 . 0 0 "[ ]" 1
464 1 24 ILE MD 1 25 GLU H . . 7.000 4.204 4.204 4.204 . 0 0 "[ ]" 1
465 1 24 ILE MD 1 64 ILE MD . . 8.000 3.617 3.617 3.617 . 0 0 "[ ]" 1
466 1 24 ILE MD 1 64 ILE MG . . 8.000 3.362 3.362 3.362 . 0 0 "[ ]" 1
467 1 24 ILE MD 1 67 LEU HB3 . . 7.000 4.162 4.162 4.162 . 0 0 "[ ]" 1
468 1 24 ILE MD 1 69 TYR HB2 . . 7.000 2.341 2.341 2.341 . 0 0 "[ ]" 1
469 1 24 ILE MD 1 69 TYR HB3 . . 7.000 2.728 2.728 2.728 . 0 0 "[ ]" 1
470 1 24 ILE MD 1 69 TYR QD . . 9.000 2.700 2.700 2.700 . 0 0 "[ ]" 1
471 1 24 ILE MD 1 69 TYR QE . . 9.000 3.101 3.101 3.101 . 0 0 "[ ]" 1
472 1 24 ILE QG 1 25 GLU H . . 5.400 3.943 3.943 3.943 . 0 0 "[ ]" 1
473 1 24 ILE QG 1 25 GLU HA . . 6.880 5.571 5.571 5.571 . 0 0 "[ ]" 1
474 1 24 ILE QG 1 26 LYS H . . 6.880 5.684 5.684 5.684 . 0 0 "[ ]" 1
475 1 24 ILE QG 1 64 ILE MG . . 7.880 4.132 4.132 4.132 . 0 0 "[ ]" 1
476 1 24 ILE QG 1 67 LEU HB3 . . 6.880 2.700 2.700 2.700 . 0 0 "[ ]" 1
477 1 24 ILE QG 1 69 TYR QD . . 8.880 2.481 2.481 2.481 . 0 0 "[ ]" 1
478 1 24 ILE QG 1 69 TYR QE . . 8.880 2.831 2.831 2.831 . 0 0 "[ ]" 1
479 1 24 ILE HG12 1 25 GLU H . . 5.900 4.836 4.836 4.836 . 0 0 "[ ]" 1
480 1 24 ILE HG13 1 25 GLU H . . 5.900 4.179 4.179 4.179 . 0 0 "[ ]" 1
481 1 24 ILE MG 1 25 GLU H . . 7.000 3.058 3.058 3.058 . 0 0 "[ ]" 1
482 1 24 ILE MG 1 64 ILE MG . . 8.000 2.478 2.478 2.478 . 0 0 "[ ]" 1
483 1 24 ILE MG 1 67 LEU HB3 . . 6.200 2.914 2.914 2.914 . 0 0 "[ ]" 1
484 1 24 ILE MG 1 67 LEU QD . . 9.570 3.369 3.369 3.369 . 0 0 "[ ]" 1
485 1 24 ILE MG 1 69 TYR QD . . 9.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
486 1 24 ILE MG 1 69 TYR QE . . 9.000 4.638 4.638 4.638 . 0 0 "[ ]" 1
487 1 25 GLU H 1 25 GLU HB2 . . 3.200 2.148 2.148 2.148 . 0 0 "[ ]" 1
488 1 25 GLU H 1 25 GLU HB3 . . 3.400 3.041 3.041 3.041 . 0 0 "[ ]" 1
489 1 25 GLU H 1 25 GLU QG . . 4.800 4.036 4.036 4.036 . 0 0 "[ ]" 1
490 1 25 GLU H 1 26 LYS H . . 2.800 2.736 2.736 2.736 . 0 0 "[ ]" 1
491 1 25 GLU H 1 28 LEU HG . . 6.000 5.505 5.505 5.505 . 0 0 "[ ]" 1
492 1 25 GLU H 1 64 ILE MD . . 7.000 4.620 4.620 4.620 . 0 0 "[ ]" 1
493 1 25 GLU HA 1 25 GLU HB2 . . 2.900 2.755 2.755 2.755 . 0 0 "[ ]" 1
494 1 25 GLU HA 1 25 GLU HB3 . . 3.000 2.984 2.984 2.984 . 0 0 "[ ]" 1
495 1 25 GLU HA 1 28 LEU H . . 4.500 2.807 2.807 2.807 . 0 0 "[ ]" 1
496 1 25 GLU HA 1 28 LEU HB2 . . 3.600 2.745 2.745 2.745 . 0 0 "[ ]" 1
497 1 25 GLU HA 1 28 LEU HB3 . . 6.000 4.405 4.405 4.405 . 0 0 "[ ]" 1
498 1 25 GLU HA 1 28 LEU MD1 . . 7.000 2.523 2.523 2.523 . 0 0 "[ ]" 1
499 1 25 GLU HA 1 28 LEU HG . . 5.900 3.132 3.132 3.132 . 0 0 "[ ]" 1
500 1 25 GLU HA 1 29 LYS H . . 5.200 4.269 4.269 4.269 . 0 0 "[ ]" 1
501 1 25 GLU HA 1 64 ILE MD . . 7.000 3.528 3.528 3.528 . 0 0 "[ ]" 1
502 1 25 GLU HA 1 64 ILE MG . . 7.000 5.920 5.920 5.920 . 0 0 "[ ]" 1
503 1 25 GLU HB2 1 26 LYS H . . 3.600 3.642 3.642 3.642 0.042 1 0 "[ ]" 1
504 1 25 GLU HB2 1 39 VAL H . . 6.000 5.666 5.666 5.666 . 0 0 "[ ]" 1
505 1 25 GLU HB2 1 48 VAL MG1 . . 7.000 5.756 5.756 5.756 . 0 0 "[ ]" 1
506 1 25 GLU HB3 1 26 LYS H . . 3.700 2.960 2.960 2.960 . 0 0 "[ ]" 1
507 1 25 GLU HB3 1 28 LEU H . . 4.900 4.929 4.929 4.929 0.029 1 0 "[ ]" 1
508 1 25 GLU HB3 1 46 VAL MG1 . . 7.000 5.084 5.084 5.084 . 0 0 "[ ]" 1
509 1 25 GLU HB3 1 46 VAL MG2 . . 7.000 3.211 3.211 3.211 . 0 0 "[ ]" 1
510 1 25 GLU QG 1 26 LYS H . . 7.000 4.409 4.409 4.409 . 0 0 "[ ]" 1
511 1 25 GLU QG 1 48 VAL HB . . 7.000 2.520 2.520 2.520 . 0 0 "[ ]" 1
512 1 25 GLU QG 1 48 VAL MG2 . . 8.000 2.923 2.923 2.923 . 0 0 "[ ]" 1
513 1 25 GLU QG 1 64 ILE QG . . 7.880 5.983 5.983 5.983 . 0 0 "[ ]" 1
514 1 26 LYS H 1 26 LYS HB2 . . 3.500 2.236 2.236 2.236 . 0 0 "[ ]" 1
515 1 26 LYS H 1 26 LYS HB3 . . 3.400 3.501 3.501 3.501 0.101 1 0 "[ ]" 1
516 1 26 LYS H 1 26 LYS HD2 . . 5.200 4.963 4.963 4.963 . 0 0 "[ ]" 1
517 1 26 LYS H 1 26 LYS HD3 . . 4.700 4.319 4.319 4.319 . 0 0 "[ ]" 1
518 1 26 LYS H 1 26 LYS QE . . 6.880 4.979 4.979 4.979 . 0 0 "[ ]" 1
519 1 26 LYS H 1 27 GLY H . . 3.400 2.688 2.688 2.688 . 0 0 "[ ]" 1
520 1 26 LYS H 1 28 LEU H . . 6.000 4.149 4.149 4.149 . 0 0 "[ ]" 1
521 1 26 LYS H 1 67 LEU QD . . 8.570 5.085 5.085 5.085 . 0 0 "[ ]" 1
522 1 26 LYS HA 1 26 LYS HD2 . . 4.600 3.255 3.255 3.255 . 0 0 "[ ]" 1
523 1 26 LYS HA 1 26 LYS HD3 . . 4.300 2.150 2.150 2.150 . 0 0 "[ ]" 1
524 1 26 LYS HA 1 26 LYS HE2 . . 6.000 4.519 4.519 4.519 . 0 0 "[ ]" 1
525 1 26 LYS HA 1 26 LYS HE3 . . 6.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
526 1 26 LYS HA 1 29 LYS H . . 5.000 2.852 2.852 2.852 . 0 0 "[ ]" 1
527 1 26 LYS HA 1 29 LYS HB2 . . 4.300 3.223 3.223 3.223 . 0 0 "[ ]" 1
528 1 26 LYS HA 1 29 LYS HB3 . . 3.800 2.242 2.242 2.242 . 0 0 "[ ]" 1
529 1 26 LYS HB2 1 26 LYS HD2 . . 4.200 3.627 3.627 3.627 . 0 0 "[ ]" 1
530 1 26 LYS HB2 1 26 LYS HD3 . . 3.900 3.829 3.829 3.829 . 0 0 "[ ]" 1
531 1 26 LYS HB2 1 27 GLY H . . 4.700 2.904 2.904 2.904 . 0 0 "[ ]" 1
532 1 26 LYS HB2 1 37 ALA MB . . 7.000 5.337 5.337 5.337 . 0 0 "[ ]" 1
533 1 26 LYS HB3 1 27 GLY H . . 4.200 3.534 3.534 3.534 . 0 0 "[ ]" 1
534 1 26 LYS HB3 1 37 ALA MB . . 7.000 5.428 5.428 5.428 . 0 0 "[ ]" 1
535 1 26 LYS HD2 1 27 GLY H . . 5.700 5.702 5.702 5.702 0.002 1 0 "[ ]" 1
536 1 26 LYS HD3 1 27 GLY H . . 6.000 5.422 5.422 5.422 . 0 0 "[ ]" 1
537 1 26 LYS HD3 1 30 ARG H . . 6.000 6.028 6.028 6.028 0.028 1 0 "[ ]" 1
538 1 26 LYS HD3 1 37 ALA MB . . 7.000 3.678 3.678 3.678 . 0 0 "[ ]" 1
539 1 26 LYS QE 1 29 LYS QE . . 6.160 3.110 3.110 3.110 . 0 0 "[ ]" 1
540 1 26 LYS HE2 1 29 LYS HE2 . . 7.150 4.962 4.962 4.962 . 0 0 "[ ]" 1
541 1 26 LYS HE2 1 29 LYS HE3 . . 7.150 3.452 3.452 3.452 . 0 0 "[ ]" 1
542 1 26 LYS HE3 1 29 LYS HE2 . . 7.150 5.405 5.405 5.405 . 0 0 "[ ]" 1
543 1 26 LYS HE3 1 29 LYS HE3 . . 7.150 3.674 3.674 3.674 . 0 0 "[ ]" 1
544 1 26 LYS QG 1 27 GLY H . . 7.000 4.397 4.397 4.397 . 0 0 "[ ]" 1
545 1 26 LYS QG 1 39 VAL H . . 7.000 6.249 6.249 6.249 . 0 0 "[ ]" 1
546 1 27 GLY H 1 28 LEU H . . 3.400 2.839 2.839 2.839 . 0 0 "[ ]" 1
547 1 27 GLY H 1 28 LEU MD2 . . 7.000 5.681 5.681 5.681 . 0 0 "[ ]" 1
548 1 27 GLY H 1 29 LYS H . . 5.200 4.075 4.075 4.075 . 0 0 "[ ]" 1
549 1 27 GLY H 1 29 LYS HB3 . . 5.100 5.127 5.127 5.127 0.027 1 0 "[ ]" 1
550 1 27 GLY H 1 30 ARG H . . 6.000 5.140 5.140 5.140 . 0 0 "[ ]" 1
551 1 27 GLY H 1 30 ARG QD . . 7.000 5.515 5.515 5.515 . 0 0 "[ ]" 1
552 1 27 GLY H 1 67 LEU QD . . 6.470 3.281 3.281 3.281 . 0 0 "[ ]" 1
553 1 27 GLY HA2 1 29 LYS H . . 6.000 4.458 4.458 4.458 . 0 0 "[ ]" 1
554 1 27 GLY HA2 1 30 ARG H . . 4.700 3.711 3.711 3.711 . 0 0 "[ ]" 1
555 1 27 GLY HA2 1 30 ARG HB2 . . 3.700 3.242 3.242 3.242 . 0 0 "[ ]" 1
556 1 27 GLY HA2 1 30 ARG HB3 . . 5.200 4.784 4.784 4.784 . 0 0 "[ ]" 1
557 1 27 GLY HA2 1 67 LEU MD1 . . 7.000 3.429 3.429 3.429 . 0 0 "[ ]" 1
558 1 27 GLY HA2 1 67 LEU MD2 . . 7.000 3.729 3.729 3.729 . 0 0 "[ ]" 1
559 1 27 GLY HA3 1 30 ARG H . . 5.700 4.660 4.660 4.660 . 0 0 "[ ]" 1
560 1 27 GLY HA3 1 30 ARG HB2 . . 5.300 4.648 4.648 4.648 . 0 0 "[ ]" 1
561 1 27 GLY HA3 1 30 ARG HB3 . . 6.000 6.025 6.025 6.025 0.025 1 0 "[ ]" 1
562 1 27 GLY HA3 1 67 LEU HB3 . . 6.000 5.384 5.384 5.384 . 0 0 "[ ]" 1
563 1 27 GLY HA3 1 67 LEU QD . . 8.570 2.185 2.185 2.185 . 0 0 "[ ]" 1
564 1 28 LEU H 1 28 LEU HB2 . . 2.800 2.461 2.461 2.461 . 0 0 "[ ]" 1
565 1 28 LEU H 1 28 LEU HB3 . . 3.700 3.621 3.621 3.621 . 0 0 "[ ]" 1
566 1 28 LEU H 1 28 LEU MD1 . . 4.200 3.516 3.516 3.516 . 0 0 "[ ]" 1
567 1 28 LEU H 1 28 LEU MD2 . . 4.300 3.528 3.528 3.528 . 0 0 "[ ]" 1
568 1 28 LEU H 1 28 LEU HG . . 4.600 2.385 2.385 2.385 . 0 0 "[ ]" 1
569 1 28 LEU H 1 29 LYS H . . 3.400 2.700 2.700 2.700 . 0 0 "[ ]" 1
570 1 28 LEU H 1 30 ARG H . . 4.900 4.107 4.107 4.107 . 0 0 "[ ]" 1
571 1 28 LEU H 1 63 LYS QG . . 6.880 5.714 5.714 5.714 . 0 0 "[ ]" 1
572 1 28 LEU HA 1 28 LEU HB2 . . 3.000 3.020 3.020 3.020 0.020 1 0 "[ ]" 1
573 1 28 LEU HA 1 28 LEU HB3 . . 3.000 2.475 2.475 2.475 . 0 0 "[ ]" 1
574 1 28 LEU HA 1 28 LEU MD2 . . 4.200 2.099 2.099 2.099 . 0 0 "[ ]" 1
575 1 28 LEU HA 1 30 ARG H . . 5.100 3.477 3.477 3.477 . 0 0 "[ ]" 1
576 1 28 LEU HA 1 31 MET H . . 4.000 3.146 3.146 3.146 . 0 0 "[ ]" 1
577 1 28 LEU HA 1 31 MET HB2 . . 5.000 3.465 3.465 3.465 . 0 0 "[ ]" 1
578 1 28 LEU HA 1 31 MET ME . . 7.000 4.957 4.957 4.957 . 0 0 "[ ]" 1
579 1 28 LEU HA 1 34 VAL MG1 . . 7.000 4.631 4.631 4.631 . 0 0 "[ ]" 1
580 1 28 LEU HB2 1 29 LYS H . . 3.900 2.972 2.972 2.972 . 0 0 "[ ]" 1
581 1 28 LEU HB2 1 29 LYS QE . . 6.880 6.155 6.155 6.155 . 0 0 "[ ]" 1
582 1 28 LEU HB2 1 34 VAL MG2 . . 7.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
583 1 28 LEU HB3 1 28 LEU HG . . 3.000 3.034 3.034 3.034 0.034 1 0 "[ ]" 1
584 1 28 LEU HB3 1 29 LYS H . . 4.500 3.842 3.842 3.842 . 0 0 "[ ]" 1
585 1 28 LEU HB3 1 30 ARG H . . 6.000 5.082 5.082 5.082 . 0 0 "[ ]" 1
586 1 28 LEU HB3 1 31 MET H . . 6.000 4.438 4.438 4.438 . 0 0 "[ ]" 1
587 1 28 LEU HB3 1 34 VAL MG1 . . 7.000 4.627 4.627 4.627 . 0 0 "[ ]" 1
588 1 28 LEU HB3 1 34 VAL MG2 . . 7.000 3.272 3.272 3.272 . 0 0 "[ ]" 1
589 1 28 LEU HB3 1 60 ILE MD . . 7.000 3.408 3.408 3.408 . 0 0 "[ ]" 1
590 1 28 LEU MD1 1 29 LYS H . . 7.000 4.735 4.735 4.735 . 0 0 "[ ]" 1
591 1 28 LEU MD1 1 48 VAL MG2 . . 8.000 3.041 3.041 3.041 . 0 0 "[ ]" 1
592 1 28 LEU MD1 1 63 LYS QB . . 7.880 4.136 4.136 4.136 . 0 0 "[ ]" 1
593 1 28 LEU MD1 1 63 LYS QG . . 7.880 5.562 5.562 5.562 . 0 0 "[ ]" 1
594 1 28 LEU MD1 1 64 ILE HA . . 7.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
595 1 28 LEU MD1 1 64 ILE HB . . 7.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
596 1 28 LEU MD2 1 29 LYS H . . 7.000 4.828 4.828 4.828 . 0 0 "[ ]" 1
597 1 28 LEU MD2 1 59 ALA H . . 7.000 5.904 5.904 5.904 . 0 0 "[ ]" 1
598 1 28 LEU MD2 1 63 LYS H . . 7.000 3.611 3.611 3.611 . 0 0 "[ ]" 1
599 1 28 LEU MD2 1 63 LYS HB2 . . 7.000 2.526 2.526 2.526 . 0 0 "[ ]" 1
600 1 28 LEU MD2 1 63 LYS HB3 . . 7.000 2.243 2.243 2.243 . 0 0 "[ ]" 1
601 1 28 LEU HG 1 29 LYS H . . 6.000 4.600 4.600 4.600 . 0 0 "[ ]" 1
602 1 28 LEU HG 1 30 ARG H . . 6.000 5.769 5.769 5.769 . 0 0 "[ ]" 1
603 1 28 LEU HG 1 31 MET H . . 6.000 6.041 6.041 6.041 0.041 1 0 "[ ]" 1
604 1 28 LEU HG 1 64 ILE HB . . 6.000 6.027 6.027 6.027 0.027 1 0 "[ ]" 1
605 1 29 LYS H 1 29 LYS HB2 . . 3.800 2.773 2.773 2.773 . 0 0 "[ ]" 1
606 1 29 LYS H 1 29 LYS HB3 . . 3.700 2.477 2.477 2.477 . 0 0 "[ ]" 1
607 1 29 LYS H 1 29 LYS HE2 . . 6.000 5.123 5.123 5.123 . 0 0 "[ ]" 1
608 1 29 LYS H 1 29 LYS QE . . 5.640 4.442 4.442 4.442 . 0 0 "[ ]" 1
609 1 29 LYS H 1 29 LYS HE3 . . 6.000 4.871 4.871 4.871 . 0 0 "[ ]" 1
610 1 29 LYS H 1 30 ARG H . . 3.500 2.840 2.840 2.840 . 0 0 "[ ]" 1
611 1 29 LYS H 1 31 MET H . . 4.300 4.314 4.314 4.314 0.014 1 0 "[ ]" 1
612 1 29 LYS H 1 34 VAL MG2 . . 6.100 3.795 3.795 3.795 . 0 0 "[ ]" 1
613 1 29 LYS HA 1 29 LYS QD . . 5.100 4.269 4.269 4.269 . 0 0 "[ ]" 1
614 1 29 LYS HA 1 29 LYS QE . . 5.880 3.567 3.567 3.567 . 0 0 "[ ]" 1
615 1 29 LYS HA 1 31 MET H . . 4.400 3.661 3.661 3.661 . 0 0 "[ ]" 1
616 1 29 LYS HA 1 34 VAL HB . . 6.000 3.731 3.731 3.731 . 0 0 "[ ]" 1
617 1 29 LYS HA 1 34 VAL MG1 . . 7.000 2.092 2.092 2.092 . 0 0 "[ ]" 1
618 1 29 LYS HA 1 37 ALA H . . 6.000 5.643 5.643 5.643 . 0 0 "[ ]" 1
619 1 29 LYS HB2 1 29 LYS HE2 . . 5.000 2.354 2.354 2.354 . 0 0 "[ ]" 1
620 1 29 LYS HB2 1 29 LYS QE . . 4.680 2.113 2.113 2.113 . 0 0 "[ ]" 1
621 1 29 LYS HB2 1 29 LYS HE3 . . 5.000 2.391 2.391 2.391 . 0 0 "[ ]" 1
622 1 29 LYS HB2 1 30 ARG H . . 4.500 4.503 4.503 4.503 0.003 1 0 "[ ]" 1
623 1 29 LYS HB2 1 37 ALA H . . 6.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
624 1 29 LYS HB2 1 37 ALA MB . . 7.000 2.528 2.528 2.528 . 0 0 "[ ]" 1
625 1 29 LYS HB3 1 29 LYS QD . . 3.900 2.735 2.735 2.735 . 0 0 "[ ]" 1
626 1 29 LYS HB3 1 29 LYS HE2 . . 4.600 3.599 3.599 3.599 . 0 0 "[ ]" 1
627 1 29 LYS HB3 1 29 LYS QE . . 3.990 2.925 2.925 2.925 . 0 0 "[ ]" 1
628 1 29 LYS HB3 1 29 LYS HE3 . . 4.600 3.096 3.096 3.096 . 0 0 "[ ]" 1
629 1 29 LYS HB3 1 30 ARG H . . 3.800 3.622 3.622 3.622 . 0 0 "[ ]" 1
630 1 29 LYS HB3 1 37 ALA H . . 5.400 5.501 5.501 5.501 0.101 1 0 "[ ]" 1
631 1 29 LYS HB3 1 37 ALA MB . . 7.000 3.524 3.524 3.524 . 0 0 "[ ]" 1
632 1 29 LYS QE 1 36 ASP HA . . 6.880 2.039 2.039 2.039 . 0 0 "[ ]" 1
633 1 29 LYS QE 1 37 ALA H . . 5.680 2.540 2.540 2.540 . 0 0 "[ ]" 1
634 1 30 ARG H 1 30 ARG HB2 . . 3.700 2.210 2.210 2.210 . 0 0 "[ ]" 1
635 1 30 ARG H 1 30 ARG HB3 . . 3.700 3.357 3.357 3.357 . 0 0 "[ ]" 1
636 1 30 ARG H 1 30 ARG QG . . 5.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
637 1 30 ARG H 1 31 MET H . . 3.300 2.655 2.655 2.655 . 0 0 "[ ]" 1
638 1 30 ARG H 1 31 MET HA . . 6.000 5.017 5.017 5.017 . 0 0 "[ ]" 1
639 1 30 ARG H 1 31 MET QG . . 6.880 3.843 3.843 3.843 . 0 0 "[ ]" 1
640 1 30 ARG H 1 34 VAL MG1 . . 7.000 3.790 3.790 3.790 . 0 0 "[ ]" 1
641 1 30 ARG H 1 34 VAL MG2 . . 7.000 4.778 4.778 4.778 . 0 0 "[ ]" 1
642 1 30 ARG HA 1 30 ARG HB3 . . 3.000 2.808 2.808 2.808 . 0 0 "[ ]" 1
643 1 30 ARG HB2 1 31 MET H . . 4.300 3.877 3.877 3.877 . 0 0 "[ ]" 1
644 1 30 ARG HB3 1 31 MET H . . 4.500 3.834 3.834 3.834 . 0 0 "[ ]" 1
645 1 30 ARG QD 1 31 MET H . . 7.000 4.775 4.775 4.775 . 0 0 "[ ]" 1
646 1 30 ARG QG 1 31 MET H . . 7.000 4.933 4.933 4.933 . 0 0 "[ ]" 1
647 1 31 MET H 1 31 MET HB2 . . 3.700 2.407 2.407 2.407 . 0 0 "[ ]" 1
648 1 31 MET H 1 31 MET HB3 . . 4.000 3.607 3.607 3.607 . 0 0 "[ ]" 1
649 1 31 MET H 1 31 MET HG2 . . 4.600 2.439 2.439 2.439 . 0 0 "[ ]" 1
650 1 31 MET H 1 31 MET QG . . 4.270 2.410 2.410 2.410 . 0 0 "[ ]" 1
651 1 31 MET H 1 31 MET HG3 . . 4.600 3.770 3.770 3.770 . 0 0 "[ ]" 1
652 1 31 MET H 1 32 PRO HD2 . . 6.000 4.932 4.932 4.932 . 0 0 "[ ]" 1
653 1 31 MET H 1 32 PRO HD3 . . 6.000 5.055 5.055 5.055 . 0 0 "[ ]" 1
654 1 31 MET H 1 34 VAL H . . 4.900 4.690 4.690 4.690 . 0 0 "[ ]" 1
655 1 31 MET H 1 34 VAL HB . . 4.400 3.669 3.669 3.669 . 0 0 "[ ]" 1
656 1 31 MET H 1 34 VAL MG1 . . 6.200 2.534 2.534 2.534 . 0 0 "[ ]" 1
657 1 31 MET H 1 34 VAL MG2 . . 7.000 4.033 4.033 4.033 . 0 0 "[ ]" 1
658 1 31 MET HA 1 34 VAL H . . 6.000 5.102 5.102 5.102 . 0 0 "[ ]" 1
659 1 31 MET HB2 1 34 VAL H . . 4.800 3.818 3.818 3.818 . 0 0 "[ ]" 1
660 1 31 MET HB3 1 34 VAL H . . 4.700 4.293 4.293 4.293 . 0 0 "[ ]" 1
661 1 31 MET ME 1 60 ILE HA . . 7.000 4.243 4.243 4.243 . 0 0 "[ ]" 1
662 1 31 MET QG 1 34 VAL H . . 6.880 5.482 5.482 5.482 . 0 0 "[ ]" 1
663 1 31 MET QG 1 34 VAL MG2 . . 7.880 4.791 4.791 4.791 . 0 0 "[ ]" 1
664 1 31 MET QG 1 55 THR MG . . 7.880 4.136 4.136 4.136 . 0 0 "[ ]" 1
665 1 31 MET QG 1 63 LYS QD . . 7.880 3.696 3.696 3.696 . 0 0 "[ ]" 1
666 1 31 MET QG 1 63 LYS QG . . 7.750 3.052 3.052 3.052 . 0 0 "[ ]" 1
667 1 31 MET HG2 1 32 PRO HD3 . . 6.000 5.299 5.299 5.299 . 0 0 "[ ]" 1
668 1 31 MET HG2 1 60 ILE MD . . 7.000 5.748 5.748 5.748 . 0 0 "[ ]" 1
669 1 31 MET HG3 1 32 PRO HD3 . . 6.000 5.759 5.759 5.759 . 0 0 "[ ]" 1
670 1 31 MET HG3 1 60 ILE MD . . 7.000 4.846 4.846 4.846 . 0 0 "[ ]" 1
671 1 32 PRO HA 1 33 GLY H . . 3.200 2.245 2.245 2.245 . 0 0 "[ ]" 1
672 1 32 PRO HB2 1 33 GLY H . . 4.200 4.140 4.140 4.140 . 0 0 "[ ]" 1
673 1 32 PRO HD2 1 63 LYS QD . . 7.000 5.428 5.428 5.428 . 0 0 "[ ]" 1
674 1 32 PRO HD2 1 63 LYS QG . . 6.880 6.055 6.055 6.055 . 0 0 "[ ]" 1
675 1 33 GLY H 1 34 VAL H . . 3.500 1.994 1.994 1.994 . 0 0 "[ ]" 1
676 1 33 GLY H 1 34 VAL MG1 . . 7.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
677 1 33 GLY H 1 50 TYR HB3 . . 6.000 6.111 6.111 6.111 0.111 1 0 "[ ]" 1
678 1 33 GLY H 1 51 ASP H . . 5.500 5.398 5.398 5.398 . 0 0 "[ ]" 1
679 1 33 GLY H 1 51 ASP HB3 . . 6.000 5.731 5.731 5.731 . 0 0 "[ ]" 1
680 1 33 GLY H 1 55 THR MG . . 7.000 4.659 4.659 4.659 . 0 0 "[ ]" 1
681 1 33 GLY HA2 1 51 ASP H . . 4.400 3.836 3.836 3.836 . 0 0 "[ ]" 1
682 1 33 GLY HA2 1 51 ASP HB3 . . 6.000 3.384 3.384 3.384 . 0 0 "[ ]" 1
683 1 33 GLY HA2 1 54 GLU H . . 5.400 5.091 5.091 5.091 . 0 0 "[ ]" 1
684 1 33 GLY HA2 1 54 GLU HB2 . . 6.000 3.281 3.281 3.281 . 0 0 "[ ]" 1
685 1 33 GLY HA2 1 54 GLU HB3 . . 6.000 4.207 4.207 4.207 . 0 0 "[ ]" 1
686 1 33 GLY HA2 1 55 THR H . . 4.800 4.759 4.759 4.759 . 0 0 "[ ]" 1
687 1 33 GLY HA2 1 55 THR MG . . 7.000 4.875 4.875 4.875 . 0 0 "[ ]" 1
688 1 33 GLY HA3 1 51 ASP H . . 4.200 3.446 3.446 3.446 . 0 0 "[ ]" 1
689 1 33 GLY HA3 1 51 ASP HB2 . . 6.000 4.604 4.604 4.604 . 0 0 "[ ]" 1
690 1 33 GLY HA3 1 51 ASP HB3 . . 6.000 3.317 3.317 3.317 . 0 0 "[ ]" 1
691 1 33 GLY HA3 1 54 GLU H . . 5.000 4.079 4.079 4.079 . 0 0 "[ ]" 1
692 1 33 GLY HA3 1 54 GLU HB3 . . 6.000 3.123 3.123 3.123 . 0 0 "[ ]" 1
693 1 33 GLY HA3 1 54 GLU QG . . 7.000 4.004 4.004 4.004 . 0 0 "[ ]" 1
694 1 33 GLY HA3 1 55 THR H . . 4.100 3.235 3.235 3.235 . 0 0 "[ ]" 1
695 1 33 GLY HA3 1 55 THR MG . . 7.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
696 1 34 VAL H 1 34 VAL HB . . 2.900 2.342 2.342 2.342 . 0 0 "[ ]" 1
697 1 34 VAL H 1 34 VAL MG1 . . 3.900 2.270 2.270 2.270 . 0 0 "[ ]" 1
698 1 34 VAL H 1 35 THR H . . 5.100 4.645 4.645 4.645 . 0 0 "[ ]" 1
699 1 34 VAL H 1 48 VAL MG2 . . 7.000 5.739 5.739 5.739 . 0 0 "[ ]" 1
700 1 34 VAL H 1 50 TYR HA . . 5.500 4.702 4.702 4.702 . 0 0 "[ ]" 1
701 1 34 VAL H 1 51 ASP H . . 6.000 4.696 4.696 4.696 . 0 0 "[ ]" 1
702 1 34 VAL H 1 54 GLU HB2 . . 6.000 5.476 5.476 5.476 . 0 0 "[ ]" 1
703 1 34 VAL HA 1 35 THR H . . 3.200 2.294 2.294 2.294 . 0 0 "[ ]" 1
704 1 34 VAL HA 1 36 ASP H . . 4.300 4.330 4.330 4.330 0.030 1 0 "[ ]" 1
705 1 34 VAL HA 1 50 TYR H . . 5.900 4.717 4.717 4.717 . 0 0 "[ ]" 1
706 1 34 VAL HA 1 50 TYR HA . . 2.600 2.279 2.279 2.279 . 0 0 "[ ]" 1
707 1 34 VAL HA 1 50 TYR HB2 . . 6.000 3.013 3.013 3.013 . 0 0 "[ ]" 1
708 1 34 VAL HA 1 50 TYR HB3 . . 6.000 2.145 2.145 2.145 . 0 0 "[ ]" 1
709 1 34 VAL HA 1 51 ASP H . . 4.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
710 1 34 VAL HB 1 35 THR H . . 5.400 4.127 4.127 4.127 . 0 0 "[ ]" 1
711 1 34 VAL MG1 1 35 THR H . . 6.100 3.447 3.447 3.447 . 0 0 "[ ]" 1
712 1 34 VAL MG1 1 50 TYR HA . . 7.000 4.963 4.963 4.963 . 0 0 "[ ]" 1
713 1 34 VAL MG1 1 51 ASP H . . 7.000 5.767 5.767 5.767 . 0 0 "[ ]" 1
714 1 34 VAL MG1 1 55 THR HB . . 7.000 5.744 5.744 5.744 . 0 0 "[ ]" 1
715 1 34 VAL MG1 1 60 ILE MD . . 8.000 5.325 5.325 5.325 . 0 0 "[ ]" 1
716 1 34 VAL MG2 1 35 THR H . . 4.900 2.266 2.266 2.266 . 0 0 "[ ]" 1
717 1 34 VAL MG2 1 36 ASP H . . 4.100 2.911 2.911 2.911 . 0 0 "[ ]" 1
718 1 34 VAL MG2 1 37 ALA H . . 6.300 4.649 4.649 4.649 . 0 0 "[ ]" 1
719 1 34 VAL MG2 1 51 ASP H . . 7.000 5.235 5.235 5.235 . 0 0 "[ ]" 1
720 1 34 VAL MG2 1 60 ILE MD . . 8.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
721 1 35 THR H 1 35 THR HB . . 3.700 3.354 3.354 3.354 . 0 0 "[ ]" 1
722 1 35 THR H 1 35 THR MG . . 4.600 3.799 3.799 3.799 . 0 0 "[ ]" 1
723 1 35 THR H 1 36 ASP H . . 3.100 2.165 2.165 2.165 . 0 0 "[ ]" 1
724 1 35 THR H 1 36 ASP HA . . 5.700 4.360 4.360 4.360 . 0 0 "[ ]" 1
725 1 35 THR H 1 49 ILE H . . 4.800 4.034 4.034 4.034 . 0 0 "[ ]" 1
726 1 35 THR H 1 49 ILE HB . . 6.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
727 1 35 THR H 1 49 ILE QG . . 7.000 5.496 5.496 5.496 . 0 0 "[ ]" 1
728 1 35 THR H 1 50 TYR H . . 4.700 4.705 4.705 4.705 0.005 1 0 "[ ]" 1
729 1 35 THR H 1 50 TYR HA . . 3.200 2.878 2.878 2.878 . 0 0 "[ ]" 1
730 1 35 THR H 1 50 TYR HB2 . . 6.000 4.813 4.813 4.813 . 0 0 "[ ]" 1
731 1 35 THR H 1 50 TYR HB3 . . 6.000 3.722 3.722 3.722 . 0 0 "[ ]" 1
732 1 35 THR H 1 51 ASP H . . 5.000 4.994 4.994 4.994 . 0 0 "[ ]" 1
733 1 35 THR HB 1 36 ASP H . . 3.800 2.700 2.700 2.700 . 0 0 "[ ]" 1
734 1 35 THR HB 1 49 ILE HB . . 6.000 3.265 3.265 3.265 . 0 0 "[ ]" 1
735 1 35 THR HB 1 49 ILE MG . . 7.000 3.207 3.207 3.207 . 0 0 "[ ]" 1
736 1 35 THR HB 1 50 TYR HA . . 6.000 5.094 5.094 5.094 . 0 0 "[ ]" 1
737 1 35 THR MG 1 36 ASP H . . 5.700 4.097 4.097 4.097 . 0 0 "[ ]" 1
738 1 35 THR MG 1 49 ILE QG . . 8.000 5.936 5.936 5.936 . 0 0 "[ ]" 1
739 1 35 THR MG 1 49 ILE MG . . 8.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
740 1 35 THR MG 1 50 TYR HA . . 7.000 4.668 4.668 4.668 . 0 0 "[ ]" 1
741 1 35 THR MG 1 51 ASP H . . 7.000 5.571 5.571 5.571 . 0 0 "[ ]" 1
742 1 36 ASP H 1 36 ASP HB2 . . 4.100 3.158 3.158 3.158 . 0 0 "[ ]" 1
743 1 36 ASP H 1 36 ASP QB . . 3.900 2.916 2.916 2.916 . 0 0 "[ ]" 1
744 1 36 ASP H 1 36 ASP HB3 . . 4.100 3.425 3.425 3.425 . 0 0 "[ ]" 1
745 1 36 ASP H 1 37 ALA H . . 4.600 4.445 4.445 4.445 . 0 0 "[ ]" 1
746 1 36 ASP H 1 37 ALA HA . . 5.900 4.986 4.986 4.986 . 0 0 "[ ]" 1
747 1 36 ASP H 1 49 ILE H . . 3.200 2.964 2.964 2.964 . 0 0 "[ ]" 1
748 1 36 ASP H 1 49 ILE HB . . 4.700 2.309 2.309 2.309 . 0 0 "[ ]" 1
749 1 36 ASP H 1 49 ILE MG . . 5.400 3.591 3.591 3.591 . 0 0 "[ ]" 1
750 1 36 ASP H 1 50 TYR HA . . 4.600 4.564 4.564 4.564 . 0 0 "[ ]" 1
751 1 36 ASP HA 1 37 ALA H . . 2.900 2.350 2.350 2.350 . 0 0 "[ ]" 1
752 1 36 ASP QB 1 37 ALA H . . 4.210 2.968 2.968 2.968 . 0 0 "[ ]" 1
753 1 36 ASP QB 1 49 ILE MG . . 7.880 4.290 4.290 4.290 . 0 0 "[ ]" 1
754 1 36 ASP HB2 1 37 ALA H . . 4.400 3.932 3.932 3.932 . 0 0 "[ ]" 1
755 1 36 ASP HB2 1 49 ILE H . . 6.000 5.184 5.184 5.184 . 0 0 "[ ]" 1
756 1 36 ASP HB2 1 49 ILE HB . . 6.000 3.983 3.983 3.983 . 0 0 "[ ]" 1
757 1 36 ASP HB2 1 49 ILE QG . . 7.000 5.206 5.206 5.206 . 0 0 "[ ]" 1
758 1 36 ASP HB3 1 37 ALA H . . 4.400 3.071 3.071 3.071 . 0 0 "[ ]" 1
759 1 36 ASP HB3 1 49 ILE H . . 6.000 4.332 4.332 4.332 . 0 0 "[ ]" 1
760 1 36 ASP HB3 1 49 ILE HB . . 6.000 3.698 3.698 3.698 . 0 0 "[ ]" 1
761 1 36 ASP HB3 1 49 ILE QG . . 7.000 4.253 4.253 4.253 . 0 0 "[ ]" 1
762 1 37 ALA H 1 38 ASN H . . 4.900 4.303 4.303 4.303 . 0 0 "[ ]" 1
763 1 37 ALA H 1 38 ASN HA . . 5.900 4.832 4.832 4.832 . 0 0 "[ ]" 1
764 1 37 ALA H 1 38 ASN HD22 . . 6.000 4.292 4.292 4.292 . 0 0 "[ ]" 1
765 1 37 ALA H 1 49 ILE HB . . 6.000 5.632 5.632 5.632 . 0 0 "[ ]" 1
766 1 37 ALA HA 1 38 ASN H . . 2.800 2.225 2.225 2.225 . 0 0 "[ ]" 1
767 1 37 ALA HA 1 38 ASN QB . . 6.100 4.026 4.026 4.026 . 0 0 "[ ]" 1
768 1 37 ALA HA 1 47 ASN H . . 5.500 5.027 5.027 5.027 . 0 0 "[ ]" 1
769 1 37 ALA HA 1 48 VAL HA . . 2.800 2.295 2.295 2.295 . 0 0 "[ ]" 1
770 1 37 ALA HA 1 48 VAL MG1 . . 7.000 4.455 4.455 4.455 . 0 0 "[ ]" 1
771 1 37 ALA HA 1 48 VAL MG2 . . 7.000 2.631 2.631 2.631 . 0 0 "[ ]" 1
772 1 37 ALA HA 1 49 ILE H . . 3.900 3.554 3.554 3.554 . 0 0 "[ ]" 1
773 1 37 ALA HA 1 49 ILE QG . . 7.000 4.939 4.939 4.939 . 0 0 "[ ]" 1
774 1 37 ALA MB 1 38 ASN H . . 4.000 3.102 3.102 3.102 . 0 0 "[ ]" 1
775 1 37 ALA MB 1 47 ASN H . . 7.000 5.268 5.268 5.268 . 0 0 "[ ]" 1
776 1 37 ALA MB 1 48 VAL HA . . 7.000 3.723 3.723 3.723 . 0 0 "[ ]" 1
777 1 37 ALA MB 1 48 VAL HB . . 7.000 3.270 3.270 3.270 . 0 0 "[ ]" 1
778 1 37 ALA MB 1 48 VAL MG1 . . 8.000 4.317 4.317 4.317 . 0 0 "[ ]" 1
779 1 38 ASN H 1 38 ASN HD21 . . 5.400 3.516 3.516 3.516 . 0 0 "[ ]" 1
780 1 38 ASN H 1 38 ASN HD22 . . 6.000 5.080 5.080 5.080 . 0 0 "[ ]" 1
781 1 38 ASN H 1 39 VAL H . . 4.900 4.034 4.034 4.034 . 0 0 "[ ]" 1
782 1 38 ASN H 1 39 VAL HB . . 6.000 5.177 5.177 5.177 . 0 0 "[ ]" 1
783 1 38 ASN H 1 46 VAL HB . . 6.000 6.027 6.027 6.027 0.027 1 0 "[ ]" 1
784 1 38 ASN H 1 46 VAL QG . . 6.360 3.158 3.158 3.158 . 0 0 "[ ]" 1
785 1 38 ASN H 1 47 ASN H . . 3.200 3.214 3.214 3.214 0.014 1 0 "[ ]" 1
786 1 38 ASN H 1 47 ASN HA . . 5.400 4.894 4.894 4.894 . 0 0 "[ ]" 1
787 1 38 ASN H 1 48 VAL H . . 5.700 4.889 4.889 4.889 . 0 0 "[ ]" 1
788 1 38 ASN H 1 48 VAL HA . . 3.600 3.312 3.312 3.312 . 0 0 "[ ]" 1
789 1 38 ASN H 1 49 ILE H . . 5.100 5.101 5.101 5.101 0.001 1 0 "[ ]" 1
790 1 38 ASN HA 1 39 VAL H . . 2.800 2.152 2.152 2.152 . 0 0 "[ ]" 1
791 1 38 ASN HA 1 47 ASN H . . 6.000 4.906 4.906 4.906 . 0 0 "[ ]" 1
792 1 38 ASN QB 1 47 ASN QB . . 8.000 2.626 2.626 2.626 . 0 0 "[ ]" 1
793 1 38 ASN HD21 1 49 ILE MD . . 7.000 4.120 4.120 4.120 . 0 0 "[ ]" 1
794 1 39 VAL H 1 39 VAL HB . . 3.100 2.507 2.507 2.507 . 0 0 "[ ]" 1
795 1 39 VAL H 1 39 VAL MG1 . . 3.900 2.139 2.139 2.139 . 0 0 "[ ]" 1
796 1 39 VAL H 1 39 VAL MG2 . . 4.700 3.765 3.765 3.765 . 0 0 "[ ]" 1
797 1 39 VAL H 1 40 ASN H . . 5.600 4.620 4.620 4.620 . 0 0 "[ ]" 1
798 1 39 VAL H 1 46 VAL HB . . 6.000 5.795 5.795 5.795 . 0 0 "[ ]" 1
799 1 39 VAL H 1 47 ASN H . . 6.000 4.797 4.797 4.797 . 0 0 "[ ]" 1
800 1 39 VAL HA 1 40 ASN H . . 2.900 2.212 2.212 2.212 . 0 0 "[ ]" 1
801 1 39 VAL HA 1 41 LEU H . . 6.000 4.758 4.758 4.758 . 0 0 "[ ]" 1
802 1 39 VAL HA 1 46 VAL H . . 6.000 5.180 5.180 5.180 . 0 0 "[ ]" 1
803 1 39 VAL HA 1 46 VAL HA . . 3.100 2.391 2.391 2.391 . 0 0 "[ ]" 1
804 1 39 VAL HA 1 46 VAL HB . . 6.000 3.077 3.077 3.077 . 0 0 "[ ]" 1
805 1 39 VAL HA 1 46 VAL MG1 . . 7.000 4.421 4.421 4.421 . 0 0 "[ ]" 1
806 1 39 VAL HA 1 46 VAL MG2 . . 7.000 2.117 2.117 2.117 . 0 0 "[ ]" 1
807 1 39 VAL HA 1 47 ASN H . . 3.700 3.238 3.238 3.238 . 0 0 "[ ]" 1
808 1 39 VAL HB 1 40 ASN H . . 5.100 4.236 4.236 4.236 . 0 0 "[ ]" 1
809 1 39 VAL HB 1 46 VAL QG . . 8.560 3.123 3.123 3.123 . 0 0 "[ ]" 1
810 1 39 VAL HB 1 47 ASN H . . 6.000 5.291 5.291 5.291 . 0 0 "[ ]" 1
811 1 39 VAL MG1 1 40 ASN H . . 6.100 3.766 3.766 3.766 . 0 0 "[ ]" 1
812 1 39 VAL MG1 1 41 LEU MD1 . . 8.000 3.639 3.639 3.639 . 0 0 "[ ]" 1
813 1 39 VAL MG1 1 41 LEU MD2 . . 8.000 4.049 4.049 4.049 . 0 0 "[ ]" 1
814 1 39 VAL MG1 1 46 VAL HB . . 7.000 5.204 5.204 5.204 . 0 0 "[ ]" 1
815 1 39 VAL MG1 1 47 ASN H . . 7.000 5.709 5.709 5.709 . 0 0 "[ ]" 1
816 1 39 VAL MG2 1 40 ASN H . . 3.700 2.409 2.409 2.409 . 0 0 "[ ]" 1
817 1 39 VAL MG2 1 41 LEU HG . . 7.000 2.106 2.106 2.106 . 0 0 "[ ]" 1
818 1 40 ASN H 1 40 ASN HB2 . . 3.800 3.058 3.058 3.058 . 0 0 "[ ]" 1
819 1 40 ASN H 1 40 ASN HB3 . . 3.700 2.808 2.808 2.808 . 0 0 "[ ]" 1
820 1 40 ASN H 1 41 LEU H . . 4.800 3.264 3.264 3.264 . 0 0 "[ ]" 1
821 1 40 ASN H 1 44 GLU H . . 6.000 6.002 6.002 6.002 0.002 1 0 "[ ]" 1
822 1 40 ASN H 1 45 THR H . . 4.300 3.691 3.691 3.691 . 0 0 "[ ]" 1
823 1 40 ASN H 1 45 THR HB . . 6.000 4.550 4.550 4.550 . 0 0 "[ ]" 1
824 1 40 ASN H 1 45 THR MG . . 7.000 4.270 4.270 4.270 . 0 0 "[ ]" 1
825 1 40 ASN H 1 46 VAL HA . . 3.700 2.475 2.475 2.475 . 0 0 "[ ]" 1
826 1 40 ASN H 1 46 VAL HB . . 6.000 3.492 3.492 3.492 . 0 0 "[ ]" 1
827 1 40 ASN H 1 47 ASN H . . 4.300 4.205 4.205 4.205 . 0 0 "[ ]" 1
828 1 40 ASN HA 1 41 LEU H . . 2.900 2.480 2.480 2.480 . 0 0 "[ ]" 1
829 1 40 ASN HA 1 42 ALA H . . 5.800 3.133 3.133 3.133 . 0 0 "[ ]" 1
830 1 40 ASN HA 1 43 THR H . . 5.800 4.096 4.096 4.096 . 0 0 "[ ]" 1
831 1 40 ASN HB2 1 41 LEU H . . 4.800 4.674 4.674 4.674 . 0 0 "[ ]" 1
832 1 40 ASN HB2 1 42 ALA H . . 6.000 5.184 5.184 5.184 . 0 0 "[ ]" 1
833 1 40 ASN HB2 1 42 ALA MB . . 7.000 5.263 5.263 5.263 . 0 0 "[ ]" 1
834 1 40 ASN HB2 1 43 THR H . . 5.600 5.015 5.015 5.015 . 0 0 "[ ]" 1
835 1 40 ASN HB2 1 43 THR MG . . 7.000 5.805 5.805 5.805 . 0 0 "[ ]" 1
836 1 40 ASN HB2 1 45 THR HB . . 6.000 4.317 4.317 4.317 . 0 0 "[ ]" 1
837 1 40 ASN HB2 1 46 VAL HB . . 6.000 6.033 6.033 6.033 0.033 1 0 "[ ]" 1
838 1 40 ASN HB3 1 41 LEU H . . 6.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
839 1 40 ASN HB3 1 42 ALA H . . 6.000 4.843 4.843 4.843 . 0 0 "[ ]" 1
840 1 40 ASN HB3 1 43 THR H . . 4.700 3.925 3.925 3.925 . 0 0 "[ ]" 1
841 1 40 ASN HB3 1 43 THR MG . . 7.000 4.735 4.735 4.735 . 0 0 "[ ]" 1
842 1 40 ASN HB3 1 44 GLU H . . 6.000 5.420 5.420 5.420 . 0 0 "[ ]" 1
843 1 40 ASN HB3 1 45 THR H . . 5.000 3.300 3.300 3.300 . 0 0 "[ ]" 1
844 1 40 ASN HB3 1 45 THR HB . . 6.000 2.610 2.610 2.610 . 0 0 "[ ]" 1
845 1 40 ASN HB3 1 46 VAL HA . . 6.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
846 1 40 ASN QD 1 42 ALA H . . 6.870 4.901 4.901 4.901 . 0 0 "[ ]" 1
847 1 40 ASN QD 1 43 THR H . . 6.870 3.987 3.987 3.987 . 0 0 "[ ]" 1
848 1 40 ASN QD 1 45 THR MG . . 6.560 3.460 3.460 3.460 . 0 0 "[ ]" 1
849 1 40 ASN HD21 1 42 ALA MB . . 7.000 5.084 5.084 5.084 . 0 0 "[ ]" 1
850 1 40 ASN HD21 1 45 THR MG . . 7.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
851 1 40 ASN HD22 1 42 ALA MB . . 7.000 3.887 3.887 3.887 . 0 0 "[ ]" 1
852 1 40 ASN HD22 1 45 THR MG . . 7.000 4.742 4.742 4.742 . 0 0 "[ ]" 1
853 1 41 LEU H 1 41 LEU HB2 . . 3.600 2.533 2.533 2.533 . 0 0 "[ ]" 1
854 1 41 LEU H 1 41 LEU HB3 . . 3.900 3.633 3.633 3.633 . 0 0 "[ ]" 1
855 1 41 LEU H 1 41 LEU MD1 . . 5.700 3.835 3.835 3.835 . 0 0 "[ ]" 1
856 1 41 LEU H 1 41 LEU MD2 . . 4.700 3.070 3.070 3.070 . 0 0 "[ ]" 1
857 1 41 LEU H 1 41 LEU HG . . 3.900 2.328 2.328 2.328 . 0 0 "[ ]" 1
858 1 41 LEU H 1 42 ALA H . . 3.800 2.666 2.666 2.666 . 0 0 "[ ]" 1
859 1 41 LEU H 1 42 ALA HA . . 6.000 5.298 5.298 5.298 . 0 0 "[ ]" 1
860 1 41 LEU H 1 43 THR H . . 6.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
861 1 41 LEU H 1 44 GLU HA . . 6.000 5.194 5.194 5.194 . 0 0 "[ ]" 1
862 1 41 LEU H 1 45 THR H . . 6.000 4.357 4.357 4.357 . 0 0 "[ ]" 1
863 1 41 LEU HA 1 41 LEU MD1 . . 4.700 3.764 3.764 3.764 . 0 0 "[ ]" 1
864 1 41 LEU HA 1 41 LEU MD2 . . 4.100 2.012 2.012 2.012 . 0 0 "[ ]" 1
865 1 41 LEU HA 1 41 LEU HG . . 3.900 3.221 3.221 3.221 . 0 0 "[ ]" 1
866 1 41 LEU HA 1 43 THR H . . 5.300 3.188 3.188 3.188 . 0 0 "[ ]" 1
867 1 41 LEU HA 1 44 GLU H . . 4.300 2.430 2.430 2.430 . 0 0 "[ ]" 1
868 1 41 LEU HA 1 44 GLU HA . . 5.600 2.356 2.356 2.356 . 0 0 "[ ]" 1
869 1 41 LEU HA 1 44 GLU QG . . 7.000 3.732 3.732 3.732 . 0 0 "[ ]" 1
870 1 41 LEU HB2 1 42 ALA H . . 3.700 3.342 3.342 3.342 . 0 0 "[ ]" 1
871 1 41 LEU HB2 1 44 GLU H . . 5.100 4.874 4.874 4.874 . 0 0 "[ ]" 1
872 1 41 LEU HB2 1 45 THR H . . 6.000 5.620 5.620 5.620 . 0 0 "[ ]" 1
873 1 41 LEU HB3 1 42 ALA H . . 4.100 4.127 4.127 4.127 0.027 1 0 "[ ]" 1
874 1 41 LEU MD1 1 42 ALA H . . 7.000 5.207 5.207 5.207 . 0 0 "[ ]" 1
875 1 41 LEU MD1 1 44 GLU H . . 7.000 5.472 5.472 5.472 . 0 0 "[ ]" 1
876 1 41 LEU MD1 1 44 GLU HA . . 7.000 4.714 4.714 4.714 . 0 0 "[ ]" 1
877 1 41 LEU MD2 1 42 ALA H . . 7.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
878 1 41 LEU MD2 1 43 THR H . . 7.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
879 1 41 LEU MD2 1 44 GLU H . . 7.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
880 1 41 LEU MD2 1 45 THR H . . 5.900 3.032 3.032 3.032 . 0 0 "[ ]" 1
881 1 41 LEU HG 1 42 ALA H . . 4.600 4.632 4.632 4.632 0.032 1 0 "[ ]" 1
882 1 42 ALA H 1 43 THR H . . 3.500 2.549 2.549 2.549 . 0 0 "[ ]" 1
883 1 42 ALA H 1 43 THR MG . . 7.000 5.886 5.886 5.886 . 0 0 "[ ]" 1
884 1 42 ALA H 1 44 GLU H . . 4.800 3.962 3.962 3.962 . 0 0 "[ ]" 1
885 1 42 ALA H 1 44 GLU HA . . 6.000 5.422 5.422 5.422 . 0 0 "[ ]" 1
886 1 42 ALA HA 1 44 GLU H . . 5.100 4.055 4.055 4.055 . 0 0 "[ ]" 1
887 1 42 ALA MB 1 43 THR H . . 3.700 3.048 3.048 3.048 . 0 0 "[ ]" 1
888 1 42 ALA MB 1 43 THR HA . . 5.300 4.344 4.344 4.344 . 0 0 "[ ]" 1
889 1 43 THR H 1 43 THR MG . . 3.700 3.917 3.917 3.917 0.217 1 0 "[ ]" 1
890 1 43 THR H 1 44 GLU H . . 3.200 2.362 2.362 2.362 . 0 0 "[ ]" 1
891 1 43 THR H 1 44 GLU HA . . 5.000 4.213 4.213 4.213 . 0 0 "[ ]" 1
892 1 43 THR H 1 44 GLU QB . . 6.880 4.980 4.980 4.980 . 0 0 "[ ]" 1
893 1 43 THR H 1 44 GLU QG . . 7.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
894 1 43 THR H 1 45 THR H . . 4.200 3.241 3.241 3.241 . 0 0 "[ ]" 1
895 1 43 THR HA 1 45 THR H . . 5.100 4.797 4.797 4.797 . 0 0 "[ ]" 1
896 1 43 THR HB 1 44 GLU H . . 5.500 4.125 4.125 4.125 . 0 0 "[ ]" 1
897 1 43 THR MG 1 44 GLU H . . 6.700 4.462 4.462 4.462 . 0 0 "[ ]" 1
898 1 43 THR MG 1 45 THR HA . . 7.000 5.250 5.250 5.250 . 0 0 "[ ]" 1
899 1 43 THR MG 1 45 THR HB . . 7.000 3.298 3.298 3.298 . 0 0 "[ ]" 1
900 1 44 GLU H 1 44 GLU QG . . 5.000 2.414 2.414 2.414 . 0 0 "[ ]" 1
901 1 44 GLU H 1 45 THR H . . 3.800 3.026 3.026 3.026 . 0 0 "[ ]" 1
902 1 44 GLU HA 1 45 THR H . . 3.400 2.795 2.795 2.795 . 0 0 "[ ]" 1
903 1 44 GLU QG 1 45 THR H . . 7.000 4.505 4.505 4.505 . 0 0 "[ ]" 1
904 1 45 THR H 1 45 THR HB . . 3.300 2.535 2.535 2.535 . 0 0 "[ ]" 1
905 1 45 THR H 1 45 THR MG . . 4.800 3.804 3.804 3.804 . 0 0 "[ ]" 1
906 1 45 THR H 1 46 VAL H . . 5.200 4.402 4.402 4.402 . 0 0 "[ ]" 1
907 1 45 THR H 1 46 VAL HB . . 5.000 5.058 5.058 5.058 0.058 1 0 "[ ]" 1
908 1 45 THR HA 1 46 VAL H . . 3.000 2.291 2.291 2.291 . 0 0 "[ ]" 1
909 1 45 THR HB 1 46 VAL H . . 4.700 4.003 4.003 4.003 . 0 0 "[ ]" 1
910 1 45 THR MG 1 46 VAL H . . 6.100 2.336 2.336 2.336 . 0 0 "[ ]" 1
911 1 46 VAL H 1 46 VAL HB . . 3.500 3.213 3.213 3.213 . 0 0 "[ ]" 1
912 1 46 VAL H 1 47 ASN H . . 5.500 4.379 4.379 4.379 . 0 0 "[ ]" 1
913 1 46 VAL H 1 47 ASN HA . . 5.900 4.790 4.790 4.790 . 0 0 "[ ]" 1
914 1 46 VAL HA 1 47 ASN H . . 2.800 2.214 2.214 2.214 . 0 0 "[ ]" 1
915 1 46 VAL HB 1 47 ASN H . . 4.600 4.005 4.005 4.005 . 0 0 "[ ]" 1
916 1 46 VAL QG 1 47 ASN H . . 5.800 2.272 2.272 2.272 . 0 0 "[ ]" 1
917 1 46 VAL QG 1 47 ASN QD . . 8.520 4.882 4.882 4.882 . 0 0 "[ ]" 1
918 1 46 VAL QG 1 48 VAL H . . 8.160 4.163 4.163 4.163 . 0 0 "[ ]" 1
919 1 46 VAL QG 1 71 VAL MG1 . . 9.560 4.844 4.844 4.844 . 0 0 "[ ]" 1
920 1 46 VAL QG 1 71 VAL MG2 . . 9.560 3.172 3.172 3.172 . 0 0 "[ ]" 1
921 1 46 VAL MG1 1 47 ASN H . . 7.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
922 1 46 VAL MG1 1 47 ASN HD21 . . 10.120 6.764 6.764 6.764 . 0 0 "[ ]" 1
923 1 46 VAL MG1 1 47 ASN HD22 . . 10.120 7.626 7.626 7.626 . 0 0 "[ ]" 1
924 1 46 VAL MG2 1 47 ASN H . . 7.000 2.290 2.290 2.290 . 0 0 "[ ]" 1
925 1 46 VAL MG2 1 47 ASN HD21 . . 10.120 5.300 5.300 5.300 . 0 0 "[ ]" 1
926 1 46 VAL MG2 1 47 ASN HD22 . . 10.120 6.507 6.507 6.507 . 0 0 "[ ]" 1
927 1 47 ASN H 1 47 ASN HD21 . . 6.000 4.308 4.308 4.308 . 0 0 "[ ]" 1
928 1 47 ASN H 1 47 ASN HD22 . . 6.000 5.670 5.670 5.670 . 0 0 "[ ]" 1
929 1 47 ASN H 1 48 VAL H . . 5.400 4.402 4.402 4.402 . 0 0 "[ ]" 1
930 1 47 ASN HA 1 48 VAL H . . 2.900 2.254 2.254 2.254 . 0 0 "[ ]" 1
931 1 47 ASN QD 1 48 VAL H . . 6.870 3.263 3.263 3.263 . 0 0 "[ ]" 1
932 1 47 ASN HD21 1 49 ILE MG . . 7.000 5.683 5.683 5.683 . 0 0 "[ ]" 1
933 1 47 ASN HD22 1 49 ILE MG . . 7.000 4.887 4.887 4.887 . 0 0 "[ ]" 1
934 1 48 VAL H 1 48 VAL HB . . 3.600 3.414 3.414 3.414 . 0 0 "[ ]" 1
935 1 48 VAL H 1 48 VAL MG1 . . 4.800 2.464 2.464 2.464 . 0 0 "[ ]" 1
936 1 48 VAL H 1 49 ILE H . . 6.000 4.283 4.283 4.283 . 0 0 "[ ]" 1
937 1 48 VAL H 1 49 ILE HA . . 5.500 4.696 4.696 4.696 . 0 0 "[ ]" 1
938 1 48 VAL H 1 50 TYR QD . . 8.000 5.204 5.204 5.204 . 0 0 "[ ]" 1
939 1 48 VAL HA 1 49 ILE H . . 3.000 2.153 2.153 2.153 . 0 0 "[ ]" 1
940 1 48 VAL HB 1 49 ILE H . . 5.100 4.050 4.050 4.050 . 0 0 "[ ]" 1
941 1 48 VAL HB 1 60 ILE MD . . 7.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
942 1 48 VAL MG1 1 49 ILE H . . 5.600 3.938 3.938 3.938 . 0 0 "[ ]" 1
943 1 48 VAL MG1 1 50 TYR QD . . 9.000 2.370 2.370 2.370 . 0 0 "[ ]" 1
944 1 48 VAL MG1 1 50 TYR QE . . 9.000 2.268 2.268 2.268 . 0 0 "[ ]" 1
945 1 48 VAL MG2 1 49 ILE H . . 4.100 2.457 2.457 2.457 . 0 0 "[ ]" 1
946 1 48 VAL MG2 1 49 ILE HA . . 7.000 4.056 4.056 4.056 . 0 0 "[ ]" 1
947 1 48 VAL MG2 1 50 TYR H . . 6.800 4.528 4.528 4.528 . 0 0 "[ ]" 1
948 1 48 VAL MG2 1 50 TYR HB2 . . 7.000 4.818 4.818 4.818 . 0 0 "[ ]" 1
949 1 48 VAL MG2 1 50 TYR HB3 . . 7.000 3.339 3.339 3.339 . 0 0 "[ ]" 1
950 1 48 VAL MG2 1 50 TYR QD . . 9.000 2.417 2.417 2.417 . 0 0 "[ ]" 1
951 1 48 VAL MG2 1 50 TYR QE . . 9.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
952 1 48 VAL MG2 1 60 ILE MD . . 8.000 2.975 2.975 2.975 . 0 0 "[ ]" 1
953 1 49 ILE H 1 49 ILE HB . . 3.400 2.508 2.508 2.508 . 0 0 "[ ]" 1
954 1 49 ILE H 1 49 ILE MD . . 5.100 3.552 3.552 3.552 . 0 0 "[ ]" 1
955 1 49 ILE H 1 50 TYR H . . 5.600 4.420 4.420 4.420 . 0 0 "[ ]" 1
956 1 49 ILE H 1 50 TYR QD . . 8.000 4.410 4.410 4.410 . 0 0 "[ ]" 1
957 1 49 ILE HA 1 50 TYR H . . 3.100 2.194 2.194 2.194 . 0 0 "[ ]" 1
958 1 49 ILE HB 1 50 TYR H . . 4.800 4.207 4.207 4.207 . 0 0 "[ ]" 1
959 1 49 ILE MD 1 50 TYR H . . 7.000 5.265 5.265 5.265 . 0 0 "[ ]" 1
960 1 49 ILE QG 1 50 TYR H . . 7.000 4.241 4.241 4.241 . 0 0 "[ ]" 1
961 1 49 ILE QG 1 50 TYR HA . . 7.000 5.869 5.869 5.869 . 0 0 "[ ]" 1
962 1 49 ILE MG 1 50 TYR H . . 4.300 2.687 2.687 2.687 . 0 0 "[ ]" 1
963 1 49 ILE MG 1 50 TYR HA . . 7.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
964 1 50 TYR H 1 50 TYR QE . . 7.000 4.600 4.600 4.600 . 0 0 "[ ]" 1
965 1 50 TYR H 1 51 ASP H . . 5.300 4.412 4.412 4.412 . 0 0 "[ ]" 1
966 1 50 TYR HA 1 50 TYR HB2 . . 2.600 2.521 2.521 2.521 . 0 0 "[ ]" 1
967 1 50 TYR HA 1 50 TYR HB3 . . 2.700 2.395 2.395 2.395 . 0 0 "[ ]" 1
968 1 50 TYR HA 1 51 ASP H . . 3.100 2.421 2.421 2.421 . 0 0 "[ ]" 1
969 1 50 TYR HA 1 51 ASP HB3 . . 4.900 4.724 4.724 4.724 . 0 0 "[ ]" 1
970 1 50 TYR HB2 1 51 ASP H . . 3.600 2.288 2.288 2.288 . 0 0 "[ ]" 1
971 1 50 TYR HB2 1 60 ILE MD . . 7.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
972 1 50 TYR HB3 1 51 ASP H . . 4.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
973 1 50 TYR HB3 1 60 ILE MD . . 7.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
974 1 50 TYR QD 1 51 ASP H . . 8.000 3.503 3.503 3.503 . 0 0 "[ ]" 1
975 1 50 TYR QD 1 51 ASP HA . . 8.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
976 1 50 TYR QD 1 52 PRO HA . . 8.000 3.397 3.397 3.397 . 0 0 "[ ]" 1
977 1 50 TYR QD 1 52 PRO QB . . 9.000 3.773 3.773 3.773 . 0 0 "[ ]" 1
978 1 50 TYR QD 1 52 PRO QD . . 8.880 3.222 3.222 3.222 . 0 0 "[ ]" 1
979 1 50 TYR QD 1 52 PRO HG2 . . 8.000 5.674 5.674 5.674 . 0 0 "[ ]" 1
980 1 50 TYR QD 1 52 PRO HG3 . . 8.000 5.128 5.128 5.128 . 0 0 "[ ]" 1
981 1 50 TYR QD 1 53 ALA H . . 8.000 5.266 5.266 5.266 . 0 0 "[ ]" 1
982 1 50 TYR QD 1 54 GLU H . . 8.000 6.011 6.011 6.011 . 0 0 "[ ]" 1
983 1 50 TYR QD 1 55 THR H . . 8.000 4.678 4.678 4.678 . 0 0 "[ ]" 1
984 1 50 TYR QD 1 56 GLY H . . 8.000 5.090 5.090 5.090 . 0 0 "[ ]" 1
985 1 50 TYR QD 1 56 GLY HA2 . . 8.000 3.284 3.284 3.284 . 0 0 "[ ]" 1
986 1 50 TYR QD 1 56 GLY HA3 . . 8.000 4.378 4.378 4.378 . 0 0 "[ ]" 1
987 1 50 TYR QD 1 60 ILE MD . . 9.000 2.428 2.428 2.428 . 0 0 "[ ]" 1
988 1 50 TYR QE 1 51 ASP H . . 8.000 5.756 5.756 5.756 . 0 0 "[ ]" 1
989 1 50 TYR QE 1 51 ASP HA . . 8.000 5.703 5.703 5.703 . 0 0 "[ ]" 1
990 1 50 TYR QE 1 52 PRO HA . . 7.800 3.849 3.849 3.849 . 0 0 "[ ]" 1
991 1 50 TYR QE 1 52 PRO QB . . 9.000 3.342 3.342 3.342 . 0 0 "[ ]" 1
992 1 50 TYR QE 1 52 PRO QD . . 8.880 4.163 4.163 4.163 . 0 0 "[ ]" 1
993 1 50 TYR QE 1 52 PRO HG2 . . 8.000 6.118 6.118 6.118 . 0 0 "[ ]" 1
994 1 50 TYR QE 1 52 PRO HG3 . . 8.000 5.153 5.153 5.153 . 0 0 "[ ]" 1
995 1 50 TYR QE 1 55 THR H . . 8.000 6.197 6.197 6.197 . 0 0 "[ ]" 1
996 1 50 TYR QE 1 56 GLY H . . 8.000 5.185 5.185 5.185 . 0 0 "[ ]" 1
997 1 50 TYR QE 1 56 GLY HA2 . . 8.000 2.734 2.734 2.734 . 0 0 "[ ]" 1
998 1 50 TYR QE 1 56 GLY HA3 . . 8.000 3.431 3.431 3.431 . 0 0 "[ ]" 1
999 1 50 TYR QE 1 57 THR H . . 8.000 3.457 3.457 3.457 . 0 0 "[ ]" 1
1000 1 50 TYR QE 1 60 ILE MD . . 9.000 2.280 2.280 2.280 . 0 0 "[ ]" 1
1001 1 51 ASP H 1 51 ASP HB2 . . 3.600 2.686 2.686 2.686 . 0 0 "[ ]" 1
1002 1 51 ASP H 1 51 ASP HB3 . . 3.300 2.501 2.501 2.501 . 0 0 "[ ]" 1
1003 1 51 ASP H 1 52 PRO QD . . 6.880 4.255 4.255 4.255 . 0 0 "[ ]" 1
1004 1 51 ASP H 1 53 ALA H . . 4.900 4.772 4.772 4.772 . 0 0 "[ ]" 1
1005 1 51 ASP H 1 54 GLU H . . 5.200 4.862 4.862 4.862 . 0 0 "[ ]" 1
1006 1 51 ASP H 1 54 GLU HB2 . . 6.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
1007 1 51 ASP H 1 54 GLU HB3 . . 6.000 6.097 6.097 6.097 0.097 1 0 "[ ]" 1
1008 1 51 ASP H 1 54 GLU QG . . 7.000 5.879 5.879 5.879 . 0 0 "[ ]" 1
1009 1 51 ASP H 1 55 THR H . . 5.900 3.940 3.940 3.940 . 0 0 "[ ]" 1
1010 1 51 ASP H 1 55 THR MG . . 7.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
1011 1 51 ASP HA 1 53 ALA H . . 4.900 3.788 3.788 3.788 . 0 0 "[ ]" 1
1012 1 51 ASP HB2 1 52 PRO QD . . 6.880 3.963 3.963 3.963 . 0 0 "[ ]" 1
1013 1 51 ASP HB2 1 53 ALA H . . 5.800 4.472 4.472 4.472 . 0 0 "[ ]" 1
1014 1 51 ASP HB2 1 53 ALA MB . . 7.000 4.807 4.807 4.807 . 0 0 "[ ]" 1
1015 1 51 ASP HB2 1 54 GLU H . . 5.200 4.987 4.987 4.987 . 0 0 "[ ]" 1
1016 1 51 ASP HB2 1 55 THR H . . 6.000 5.227 5.227 5.227 . 0 0 "[ ]" 1
1017 1 51 ASP HB2 1 55 THR MG . . 7.000 5.900 5.900 5.900 . 0 0 "[ ]" 1
1018 1 51 ASP HB3 1 53 ALA H . . 5.300 3.372 3.372 3.372 . 0 0 "[ ]" 1
1019 1 51 ASP HB3 1 55 THR H . . 5.800 3.645 3.645 3.645 . 0 0 "[ ]" 1
1020 1 52 PRO HA 1 54 GLU H . . 4.700 4.340 4.340 4.340 . 0 0 "[ ]" 1
1021 1 52 PRO HA 1 55 THR H . . 3.900 3.701 3.701 3.701 . 0 0 "[ ]" 1
1022 1 52 PRO HA 1 56 GLY H . . 6.000 4.953 4.953 4.953 . 0 0 "[ ]" 1
1023 1 52 PRO HA 1 56 GLY HA2 . . 6.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
1024 1 52 PRO QB 1 57 THR MG . . 8.000 5.856 5.856 5.856 . 0 0 "[ ]" 1
1025 1 52 PRO QD 1 53 ALA H . . 5.300 3.223 3.223 3.223 . 0 0 "[ ]" 1
1026 1 52 PRO HD2 1 53 ALA H . . 5.800 3.335 3.335 3.335 . 0 0 "[ ]" 1
1027 1 52 PRO HD3 1 53 ALA H . . 5.800 4.266 4.266 4.266 . 0 0 "[ ]" 1
1028 1 52 PRO QG 1 53 ALA H . . 5.090 3.565 3.565 3.565 . 0 0 "[ ]" 1
1029 1 52 PRO HG2 1 53 ALA H . . 5.500 3.655 3.655 3.655 . 0 0 "[ ]" 1
1030 1 52 PRO HG3 1 53 ALA H . . 5.500 4.956 4.956 4.956 . 0 0 "[ ]" 1
1031 1 53 ALA H 1 53 ALA MB . . 3.400 2.325 2.325 2.325 . 0 0 "[ ]" 1
1032 1 53 ALA H 1 54 GLU H . . 3.000 2.213 2.213 2.213 . 0 0 "[ ]" 1
1033 1 53 ALA H 1 54 GLU HA . . 5.500 4.993 4.993 4.993 . 0 0 "[ ]" 1
1034 1 53 ALA H 1 55 THR H . . 4.200 3.354 3.354 3.354 . 0 0 "[ ]" 1
1035 1 53 ALA H 1 55 THR MG . . 7.000 6.013 6.013 6.013 . 0 0 "[ ]" 1
1036 1 53 ALA MB 1 54 GLU H . . 3.900 2.342 2.342 2.342 . 0 0 "[ ]" 1
1037 1 53 ALA MB 1 55 THR H . . 6.000 4.213 4.213 4.213 . 0 0 "[ ]" 1
1038 1 54 GLU H 1 54 GLU HB2 . . 3.500 2.332 2.332 2.332 . 0 0 "[ ]" 1
1039 1 54 GLU H 1 54 GLU HB3 . . 3.900 3.554 3.554 3.554 . 0 0 "[ ]" 1
1040 1 54 GLU H 1 55 THR H . . 2.800 2.156 2.156 2.156 . 0 0 "[ ]" 1
1041 1 54 GLU H 1 55 THR MG . . 6.800 5.479 5.479 5.479 . 0 0 "[ ]" 1
1042 1 54 GLU HA 1 54 GLU HB3 . . 2.800 2.516 2.516 2.516 . 0 0 "[ ]" 1
1043 1 54 GLU HB2 1 55 THR H . . 3.900 2.525 2.525 2.525 . 0 0 "[ ]" 1
1044 1 54 GLU HB2 1 55 THR MG . . 7.000 4.931 4.931 4.931 . 0 0 "[ ]" 1
1045 1 54 GLU HB3 1 55 THR H . . 4.300 3.486 3.486 3.486 . 0 0 "[ ]" 1
1046 1 54 GLU HB3 1 55 THR MG . . 7.000 5.223 5.223 5.223 . 0 0 "[ ]" 1
1047 1 54 GLU QG 1 55 THR H . . 7.000 4.020 4.020 4.020 . 0 0 "[ ]" 1
1048 1 55 THR H 1 55 THR MG . . 3.700 3.743 3.743 3.743 0.043 1 0 "[ ]" 1
1049 1 55 THR H 1 56 GLY H . . 4.500 4.457 4.457 4.457 . 0 0 "[ ]" 1
1050 1 55 THR HA 1 55 THR HB . . 2.800 2.948 2.948 2.948 0.148 1 0 "[ ]" 1
1051 1 55 THR HA 1 55 THR HG1 . . 3.800 2.540 2.540 2.540 . 0 0 "[ ]" 1
1052 1 55 THR HA 1 56 GLY H . . 3.600 2.209 2.209 2.209 . 0 0 "[ ]" 1
1053 1 55 THR HA 1 59 ALA H . . 6.000 4.816 4.816 4.816 . 0 0 "[ ]" 1
1054 1 55 THR HB 1 56 GLY H . . 4.200 4.261 4.261 4.261 0.061 1 0 "[ ]" 1
1055 1 55 THR HB 1 59 ALA MB . . 7.000 5.409 5.409 5.409 . 0 0 "[ ]" 1
1056 1 55 THR HB 1 60 ILE QG . . 6.880 5.852 5.852 5.852 . 0 0 "[ ]" 1
1057 1 55 THR HG1 1 56 GLY H . . 5.100 4.684 4.684 4.684 . 0 0 "[ ]" 1
1058 1 55 THR HG1 1 59 ALA MB . . 7.000 4.767 4.767 4.767 . 0 0 "[ ]" 1
1059 1 55 THR HG1 1 60 ILE QG . . 6.880 6.171 6.171 6.171 . 0 0 "[ ]" 1
1060 1 55 THR MG 1 56 GLY H . . 4.200 2.763 2.763 2.763 . 0 0 "[ ]" 1
1061 1 55 THR MG 1 57 THR H . . 7.000 4.731 4.731 4.731 . 0 0 "[ ]" 1
1062 1 55 THR MG 1 59 ALA H . . 7.000 4.659 4.659 4.659 . 0 0 "[ ]" 1
1063 1 55 THR MG 1 59 ALA MB . . 8.000 3.174 3.174 3.174 . 0 0 "[ ]" 1
1064 1 55 THR MG 1 60 ILE H . . 7.000 4.257 4.257 4.257 . 0 0 "[ ]" 1
1065 1 55 THR MG 1 60 ILE MD . . 8.000 2.492 2.492 2.492 . 0 0 "[ ]" 1
1066 1 55 THR MG 1 60 ILE QG . . 7.880 2.964 2.964 2.964 . 0 0 "[ ]" 1
1067 1 55 THR MG 1 60 ILE MG . . 8.000 4.821 4.821 4.821 . 0 0 "[ ]" 1
1068 1 56 GLY H 1 57 THR H . . 4.500 4.277 4.277 4.277 . 0 0 "[ ]" 1
1069 1 56 GLY H 1 57 THR HA . . 6.000 5.261 5.261 5.261 . 0 0 "[ ]" 1
1070 1 56 GLY H 1 58 ALA MB . . 4.600 3.875 3.875 3.875 . 0 0 "[ ]" 1
1071 1 56 GLY H 1 59 ALA H . . 4.500 3.018 3.018 3.018 . 0 0 "[ ]" 1
1072 1 56 GLY H 1 59 ALA MB . . 4.500 2.631 2.631 2.631 . 0 0 "[ ]" 1
1073 1 56 GLY H 1 60 ILE H . . 5.200 3.769 3.769 3.769 . 0 0 "[ ]" 1
1074 1 56 GLY H 1 60 ILE HB . . 5.100 4.584 4.584 4.584 . 0 0 "[ ]" 1
1075 1 56 GLY H 1 60 ILE MD . . 6.900 3.974 3.974 3.974 . 0 0 "[ ]" 1
1076 1 56 GLY H 1 60 ILE QG . . 6.880 4.406 4.406 4.406 . 0 0 "[ ]" 1
1077 1 56 GLY H 1 60 ILE MG . . 7.000 5.844 5.844 5.844 . 0 0 "[ ]" 1
1078 1 56 GLY HA2 1 57 THR H . . 3.500 2.467 2.467 2.467 . 0 0 "[ ]" 1
1079 1 56 GLY HA2 1 58 ALA H . . 6.000 4.518 4.518 4.518 . 0 0 "[ ]" 1
1080 1 56 GLY HA2 1 59 ALA H . . 6.000 4.733 4.733 4.733 . 0 0 "[ ]" 1
1081 1 56 GLY HA3 1 59 ALA H . . 5.300 4.303 4.303 4.303 . 0 0 "[ ]" 1
1082 1 57 THR H 1 57 THR HB . . 4.000 2.323 2.323 2.323 . 0 0 "[ ]" 1
1083 1 57 THR H 1 57 THR MG . . 4.300 2.332 2.332 2.332 . 0 0 "[ ]" 1
1084 1 57 THR H 1 58 ALA H . . 4.300 3.021 3.021 3.021 . 0 0 "[ ]" 1
1085 1 57 THR H 1 58 ALA MB . . 6.200 4.479 4.479 4.479 . 0 0 "[ ]" 1
1086 1 57 THR H 1 59 ALA H . . 4.500 4.591 4.591 4.591 0.091 1 0 "[ ]" 1
1087 1 57 THR H 1 60 ILE HB . . 6.000 3.944 3.944 3.944 . 0 0 "[ ]" 1
1088 1 57 THR H 1 60 ILE MD . . 7.000 3.614 3.614 3.614 . 0 0 "[ ]" 1
1089 1 57 THR HA 1 57 THR HB . . 2.700 2.391 2.391 2.391 . 0 0 "[ ]" 1
1090 1 57 THR HA 1 59 ALA H . . 5.200 4.349 4.349 4.349 . 0 0 "[ ]" 1
1091 1 57 THR HA 1 60 ILE H . . 4.200 3.428 3.428 3.428 . 0 0 "[ ]" 1
1092 1 57 THR HA 1 60 ILE HB . . 3.500 2.089 2.089 2.089 . 0 0 "[ ]" 1
1093 1 57 THR HA 1 60 ILE MD . . 7.000 3.104 3.104 3.104 . 0 0 "[ ]" 1
1094 1 57 THR HA 1 60 ILE QG . . 6.880 4.120 4.120 4.120 . 0 0 "[ ]" 1
1095 1 57 THR HB 1 60 ILE HB . . 6.000 4.408 4.408 4.408 . 0 0 "[ ]" 1
1096 1 57 THR MG 1 58 ALA H . . 7.000 2.250 2.250 2.250 . 0 0 "[ ]" 1
1097 1 57 THR MG 1 59 ALA H . . 7.000 4.683 4.683 4.683 . 0 0 "[ ]" 1
1098 1 57 THR MG 1 60 ILE H . . 7.000 5.078 5.078 5.078 . 0 0 "[ ]" 1
1099 1 57 THR MG 1 60 ILE MD . . 8.000 4.940 4.940 4.940 . 0 0 "[ ]" 1
1100 1 57 THR MG 1 61 GLN H . . 7.000 4.926 4.926 4.926 . 0 0 "[ ]" 1
1101 1 57 THR MG 1 61 GLN HE21 . . 7.000 5.146 5.146 5.146 . 0 0 "[ ]" 1
1102 1 57 THR MG 1 61 GLN HE22 . . 7.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
1103 1 57 THR MG 1 73 ILE MG . . 8.000 3.446 3.446 3.446 . 0 0 "[ ]" 1
1104 1 58 ALA H 1 59 ALA H . . 4.200 3.027 3.027 3.027 . 0 0 "[ ]" 1
1105 1 58 ALA H 1 60 ILE H . . 6.000 4.051 4.051 4.051 . 0 0 "[ ]" 1
1106 1 58 ALA H 1 60 ILE HB . . 6.000 4.496 4.496 4.496 . 0 0 "[ ]" 1
1107 1 58 ALA H 1 61 GLN QB . . 7.000 5.451 5.451 5.451 . 0 0 "[ ]" 1
1108 1 58 ALA HA 1 61 GLN H . . 4.500 4.210 4.210 4.210 . 0 0 "[ ]" 1
1109 1 58 ALA HA 1 61 GLN QB . . 4.700 3.713 3.713 3.713 . 0 0 "[ ]" 1
1110 1 58 ALA HA 1 61 GLN HE21 . . 6.000 6.023 6.023 6.023 0.023 1 0 "[ ]" 1
1111 1 58 ALA HA 1 61 GLN HE22 . . 6.000 5.381 5.381 5.381 . 0 0 "[ ]" 1
1112 1 58 ALA MB 1 59 ALA H . . 3.500 2.394 2.394 2.394 . 0 0 "[ ]" 1
1113 1 58 ALA MB 1 61 GLN H . . 6.400 5.068 5.068 5.068 . 0 0 "[ ]" 1
1114 1 59 ALA H 1 59 ALA MB . . 3.600 2.269 2.269 2.269 . 0 0 "[ ]" 1
1115 1 59 ALA H 1 60 ILE H . . 3.300 2.057 2.057 2.057 . 0 0 "[ ]" 1
1116 1 59 ALA H 1 60 ILE HB . . 4.700 3.718 3.718 3.718 . 0 0 "[ ]" 1
1117 1 59 ALA H 1 60 ILE MD . . 7.000 4.668 4.668 4.668 . 0 0 "[ ]" 1
1118 1 59 ALA H 1 60 ILE HG12 . . 6.000 6.014 6.014 6.014 0.014 1 0 "[ ]" 1
1119 1 59 ALA H 1 60 ILE HG13 . . 6.000 4.625 4.625 4.625 . 0 0 "[ ]" 1
1120 1 59 ALA H 1 62 GLU HB3 . . 6.000 5.840 5.840 5.840 . 0 0 "[ ]" 1
1121 1 59 ALA H 1 62 GLU QG . . 7.000 6.284 6.284 6.284 . 0 0 "[ ]" 1
1122 1 59 ALA HA 1 61 GLN H . . 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 1
1123 1 59 ALA HA 1 62 GLU H . . 4.900 3.800 3.800 3.800 . 0 0 "[ ]" 1
1124 1 59 ALA HA 1 62 GLU HB2 . . 3.500 2.842 2.842 2.842 . 0 0 "[ ]" 1
1125 1 59 ALA HA 1 62 GLU HB3 . . 4.000 3.215 3.215 3.215 . 0 0 "[ ]" 1
1126 1 59 ALA HA 1 62 GLU QG . . 7.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
1127 1 59 ALA HA 1 63 LYS H . . 4.400 4.390 4.390 4.390 . 0 0 "[ ]" 1
1128 1 59 ALA MB 1 60 ILE H . . 3.900 2.552 2.552 2.552 . 0 0 "[ ]" 1
1129 1 59 ALA MB 1 62 GLU H . . 6.700 4.887 4.887 4.887 . 0 0 "[ ]" 1
1130 1 59 ALA MB 1 62 GLU HB3 . . 7.000 4.166 4.166 4.166 . 0 0 "[ ]" 1
1131 1 59 ALA MB 1 63 LYS H . . 6.100 4.549 4.549 4.549 . 0 0 "[ ]" 1
1132 1 60 ILE H 1 60 ILE HB . . 2.800 2.009 2.009 2.009 . 0 0 "[ ]" 1
1133 1 60 ILE H 1 60 ILE MD . . 4.400 3.520 3.520 3.520 . 0 0 "[ ]" 1
1134 1 60 ILE H 1 60 ILE HG12 . . 4.900 4.069 4.069 4.069 . 0 0 "[ ]" 1
1135 1 60 ILE H 1 60 ILE QG . . 4.390 2.868 2.868 2.868 . 0 0 "[ ]" 1
1136 1 60 ILE H 1 60 ILE HG13 . . 4.900 2.931 2.931 2.931 . 0 0 "[ ]" 1
1137 1 60 ILE H 1 60 ILE MG . . 4.200 3.487 3.487 3.487 . 0 0 "[ ]" 1
1138 1 60 ILE H 1 61 GLN H . . 3.500 3.056 3.056 3.056 . 0 0 "[ ]" 1
1139 1 60 ILE H 1 61 GLN HA . . 6.000 5.598 5.598 5.598 . 0 0 "[ ]" 1
1140 1 60 ILE H 1 61 GLN QB . . 6.500 4.807 4.807 4.807 . 0 0 "[ ]" 1
1141 1 60 ILE H 1 61 GLN QG . . 6.880 6.141 6.141 6.141 . 0 0 "[ ]" 1
1142 1 60 ILE H 1 62 GLU H . . 5.000 4.369 4.369 4.369 . 0 0 "[ ]" 1
1143 1 60 ILE HA 1 60 ILE HG12 . . 4.000 2.446 2.446 2.446 . 0 0 "[ ]" 1
1144 1 60 ILE HA 1 60 ILE QG . . 3.610 2.097 2.097 2.097 . 0 0 "[ ]" 1
1145 1 60 ILE HA 1 60 ILE HG13 . . 4.000 2.281 2.281 2.281 . 0 0 "[ ]" 1
1146 1 60 ILE HA 1 62 GLU H . . 5.500 4.575 4.575 4.575 . 0 0 "[ ]" 1
1147 1 60 ILE HA 1 63 LYS H . . 4.300 3.355 3.355 3.355 . 0 0 "[ ]" 1
1148 1 60 ILE HA 1 63 LYS HB2 . . 5.000 3.194 3.194 3.194 . 0 0 "[ ]" 1
1149 1 60 ILE HA 1 63 LYS QB . . 4.680 3.098 3.098 3.098 . 0 0 "[ ]" 1
1150 1 60 ILE HA 1 63 LYS HB3 . . 5.000 4.174 4.174 4.174 . 0 0 "[ ]" 1
1151 1 60 ILE HB 1 61 GLN H . . 3.300 3.077 3.077 3.077 . 0 0 "[ ]" 1
1152 1 60 ILE MD 1 61 GLN H . . 7.000 4.861 4.861 4.861 . 0 0 "[ ]" 1
1153 1 60 ILE QG 1 61 GLN H . . 5.550 4.442 4.442 4.442 . 0 0 "[ ]" 1
1154 1 60 ILE QG 1 61 GLN HA . . 6.880 5.675 5.675 5.675 . 0 0 "[ ]" 1
1155 1 60 ILE QG 1 64 ILE HA . . 6.880 6.239 6.239 6.239 . 0 0 "[ ]" 1
1156 1 60 ILE HG12 1 61 GLN H . . 6.000 5.030 5.030 5.030 . 0 0 "[ ]" 1
1157 1 60 ILE HG13 1 61 GLN H . . 6.000 4.944 4.944 4.944 . 0 0 "[ ]" 1
1158 1 60 ILE MG 1 61 GLN H . . 7.000 2.469 2.469 2.469 . 0 0 "[ ]" 1
1159 1 61 GLN H 1 61 GLN HG2 . . 5.200 4.119 4.119 4.119 . 0 0 "[ ]" 1
1160 1 61 GLN H 1 61 GLN QG . . 4.560 3.490 3.490 3.490 . 0 0 "[ ]" 1
1161 1 61 GLN H 1 61 GLN HG3 . . 5.200 3.770 3.770 3.770 . 0 0 "[ ]" 1
1162 1 61 GLN H 1 62 GLU H . . 3.500 2.910 2.910 2.910 . 0 0 "[ ]" 1
1163 1 61 GLN H 1 63 LYS H . . 4.900 4.499 4.499 4.499 . 0 0 "[ ]" 1
1164 1 61 GLN H 1 64 ILE H . . 6.000 4.675 4.675 4.675 . 0 0 "[ ]" 1
1165 1 61 GLN H 1 71 VAL MG1 . . 6.700 3.985 3.985 3.985 . 0 0 "[ ]" 1
1166 1 61 GLN HA 1 61 GLN HE21 . . 6.000 2.623 2.623 2.623 . 0 0 "[ ]" 1
1167 1 61 GLN HA 1 61 GLN HE22 . . 6.000 4.220 4.220 4.220 . 0 0 "[ ]" 1
1168 1 61 GLN HA 1 63 LYS H . . 5.900 4.616 4.616 4.616 . 0 0 "[ ]" 1
1169 1 61 GLN HA 1 64 ILE H . . 4.500 3.451 3.451 3.451 . 0 0 "[ ]" 1
1170 1 61 GLN HA 1 64 ILE HB . . 4.300 2.324 2.324 2.324 . 0 0 "[ ]" 1
1171 1 61 GLN HA 1 64 ILE QG . . 6.880 2.878 2.878 2.878 . 0 0 "[ ]" 1
1172 1 61 GLN HA 1 64 ILE MG . . 7.000 3.717 3.717 3.717 . 0 0 "[ ]" 1
1173 1 61 GLN HA 1 65 GLU H . . 5.800 3.787 3.787 3.787 . 0 0 "[ ]" 1
1174 1 61 GLN HA 1 71 VAL MG2 . . 7.000 4.935 4.935 4.935 . 0 0 "[ ]" 1
1175 1 61 GLN QB 1 64 ILE MD . . 8.000 5.997 5.997 5.997 . 0 0 "[ ]" 1
1176 1 61 GLN QB 1 64 ILE HG12 . . 7.000 5.480 5.480 5.480 . 0 0 "[ ]" 1
1177 1 61 GLN QB 1 64 ILE HG13 . . 7.000 5.085 5.085 5.085 . 0 0 "[ ]" 1
1178 1 61 GLN HE21 1 64 ILE HB . . 6.000 4.331 4.331 4.331 . 0 0 "[ ]" 1
1179 1 61 GLN HE21 1 71 VAL MG2 . . 6.700 3.679 3.679 3.679 . 0 0 "[ ]" 1
1180 1 61 GLN HE22 1 64 ILE HB . . 6.000 6.054 6.054 6.054 0.054 1 0 "[ ]" 1
1181 1 61 GLN HE22 1 71 VAL MG2 . . 6.800 4.231 4.231 4.231 . 0 0 "[ ]" 1
1182 1 61 GLN QG 1 62 GLU H . . 5.690 4.358 4.358 4.358 . 0 0 "[ ]" 1
1183 1 61 GLN HG2 1 62 GLU H . . 6.000 4.858 4.858 4.858 . 0 0 "[ ]" 1
1184 1 61 GLN HG2 1 71 VAL MG1 . . 7.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
1185 1 61 GLN HG2 1 71 VAL MG2 . . 7.000 5.782 5.782 5.782 . 0 0 "[ ]" 1
1186 1 61 GLN HG3 1 62 GLU H . . 6.000 4.928 4.928 4.928 . 0 0 "[ ]" 1
1187 1 61 GLN HG3 1 71 VAL MG1 . . 7.000 2.240 2.240 2.240 . 0 0 "[ ]" 1
1188 1 61 GLN HG3 1 71 VAL MG2 . . 7.000 4.549 4.549 4.549 . 0 0 "[ ]" 1
1189 1 62 GLU H 1 62 GLU HB2 . . 3.800 2.053 2.053 2.053 . 0 0 "[ ]" 1
1190 1 62 GLU H 1 62 GLU HB3 . . 3.200 3.082 3.082 3.082 . 0 0 "[ ]" 1
1191 1 62 GLU H 1 63 LYS H . . 3.400 3.100 3.100 3.100 . 0 0 "[ ]" 1
1192 1 62 GLU H 1 64 ILE H . . 5.100 4.342 4.342 4.342 . 0 0 "[ ]" 1
1193 1 62 GLU HA 1 64 ILE H . . 5.500 4.720 4.720 4.720 . 0 0 "[ ]" 1
1194 1 62 GLU HA 1 65 GLU H . . 3.800 3.895 3.895 3.895 0.095 1 0 "[ ]" 1
1195 1 62 GLU HA 1 65 GLU QB . . 4.780 3.068 3.068 3.068 . 0 0 "[ ]" 1
1196 1 62 GLU HA 1 65 GLU QG . . 6.880 3.517 3.517 3.517 . 0 0 "[ ]" 1
1197 1 62 GLU HA 1 66 LYS H . . 5.900 4.711 4.711 4.711 . 0 0 "[ ]" 1
1198 1 62 GLU HB2 1 63 LYS H . . 4.100 3.454 3.454 3.454 . 0 0 "[ ]" 1
1199 1 62 GLU HB3 1 63 LYS H . . 3.400 2.557 2.557 2.557 . 0 0 "[ ]" 1
1200 1 62 GLU QG 1 63 LYS H . . 7.000 4.465 4.465 4.465 . 0 0 "[ ]" 1
1201 1 63 LYS H 1 63 LYS HB2 . . 3.200 2.143 2.143 2.143 . 0 0 "[ ]" 1
1202 1 63 LYS H 1 63 LYS HB3 . . 3.200 3.287 3.287 3.287 0.087 1 0 "[ ]" 1
1203 1 63 LYS H 1 63 LYS QD . . 5.700 2.840 2.840 2.840 . 0 0 "[ ]" 1
1204 1 63 LYS H 1 63 LYS HE2 . . 6.000 5.486 5.486 5.486 . 0 0 "[ ]" 1
1205 1 63 LYS H 1 63 LYS HE3 . . 6.000 4.260 4.260 4.260 . 0 0 "[ ]" 1
1206 1 63 LYS H 1 63 LYS HG2 . . 5.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
1207 1 63 LYS H 1 63 LYS QG . . 4.820 3.907 3.907 3.907 . 0 0 "[ ]" 1
1208 1 63 LYS H 1 63 LYS HG3 . . 5.000 4.367 4.367 4.367 . 0 0 "[ ]" 1
1209 1 63 LYS H 1 64 ILE H . . 3.300 2.652 2.652 2.652 . 0 0 "[ ]" 1
1210 1 63 LYS H 1 64 ILE QG . . 6.880 4.278 4.278 4.278 . 0 0 "[ ]" 1
1211 1 63 LYS H 1 64 ILE MG . . 7.000 5.835 5.835 5.835 . 0 0 "[ ]" 1
1212 1 63 LYS H 1 65 GLU H . . 4.900 4.300 4.300 4.300 . 0 0 "[ ]" 1
1213 1 63 LYS H 1 66 LYS H . . 5.400 4.888 4.888 4.888 . 0 0 "[ ]" 1
1214 1 63 LYS HA 1 63 LYS HE2 . . 6.000 3.529 3.529 3.529 . 0 0 "[ ]" 1
1215 1 63 LYS HA 1 63 LYS QE . . 5.790 2.175 2.175 2.175 . 0 0 "[ ]" 1
1216 1 63 LYS HA 1 63 LYS HE3 . . 6.000 2.196 2.196 2.196 . 0 0 "[ ]" 1
1217 1 63 LYS HA 1 63 LYS HG2 . . 4.200 3.511 3.511 3.511 . 0 0 "[ ]" 1
1218 1 63 LYS HA 1 63 LYS QG . . 3.810 2.304 2.304 2.304 . 0 0 "[ ]" 1
1219 1 63 LYS HA 1 63 LYS HG3 . . 4.200 2.337 2.337 2.337 . 0 0 "[ ]" 1
1220 1 63 LYS HA 1 65 GLU QB . . 5.080 4.550 4.550 4.550 . 0 0 "[ ]" 1
1221 1 63 LYS HA 1 66 LYS H . . 3.700 3.111 3.111 3.111 . 0 0 "[ ]" 1
1222 1 63 LYS HA 1 66 LYS HB2 . . 3.800 3.033 3.033 3.033 . 0 0 "[ ]" 1
1223 1 63 LYS HA 1 66 LYS QB . . 3.600 2.637 2.637 2.637 . 0 0 "[ ]" 1
1224 1 63 LYS HA 1 66 LYS HB3 . . 3.800 2.896 2.896 2.896 . 0 0 "[ ]" 1
1225 1 63 LYS HA 1 66 LYS QE . . 6.880 4.433 4.433 4.433 . 0 0 "[ ]" 1
1226 1 63 LYS QB 1 64 ILE H . . 3.600 2.891 2.891 2.891 . 0 0 "[ ]" 1
1227 1 63 LYS HB2 1 64 ILE H . . 3.900 3.354 3.354 3.354 . 0 0 "[ ]" 1
1228 1 63 LYS HB3 1 64 ILE H . . 3.900 3.158 3.158 3.158 . 0 0 "[ ]" 1
1229 1 63 LYS QD 1 64 ILE H . . 7.000 4.846 4.846 4.846 . 0 0 "[ ]" 1
1230 1 63 LYS QG 1 66 LYS H . . 6.880 4.800 4.800 4.800 . 0 0 "[ ]" 1
1231 1 63 LYS QG 1 67 LEU H . . 6.880 4.645 4.645 4.645 . 0 0 "[ ]" 1
1232 1 63 LYS HG2 1 64 ILE H . . 6.000 5.358 5.358 5.358 . 0 0 "[ ]" 1
1233 1 63 LYS HG3 1 64 ILE H . . 6.000 5.057 5.057 5.057 . 0 0 "[ ]" 1
1234 1 64 ILE H 1 64 ILE HB . . 3.400 2.451 2.451 2.451 . 0 0 "[ ]" 1
1235 1 64 ILE H 1 64 ILE MD . . 4.900 3.631 3.631 3.631 . 0 0 "[ ]" 1
1236 1 64 ILE H 1 64 ILE HG12 . . 4.700 2.273 2.273 2.273 . 0 0 "[ ]" 1
1237 1 64 ILE H 1 64 ILE QG . . 4.470 2.244 2.244 2.244 . 0 0 "[ ]" 1
1238 1 64 ILE H 1 64 ILE HG13 . . 4.700 3.472 3.472 3.472 . 0 0 "[ ]" 1
1239 1 64 ILE H 1 64 ILE MG . . 4.400 3.720 3.720 3.720 . 0 0 "[ ]" 1
1240 1 64 ILE H 1 65 GLU H . . 3.400 2.839 2.839 2.839 . 0 0 "[ ]" 1
1241 1 64 ILE H 1 65 GLU HA . . 6.000 5.457 5.457 5.457 . 0 0 "[ ]" 1
1242 1 64 ILE H 1 65 GLU QB . . 6.480 4.569 4.569 4.569 . 0 0 "[ ]" 1
1243 1 64 ILE H 1 65 GLU HG2 . . 6.000 4.843 4.843 4.843 . 0 0 "[ ]" 1
1244 1 64 ILE H 1 65 GLU HG3 . . 6.000 5.988 5.988 5.988 . 0 0 "[ ]" 1
1245 1 64 ILE H 1 66 LYS H . . 5.500 4.173 4.173 4.173 . 0 0 "[ ]" 1
1246 1 64 ILE HA 1 64 ILE MD . . 4.700 2.377 2.377 2.377 . 0 0 "[ ]" 1
1247 1 64 ILE HA 1 64 ILE HG12 . . 4.100 2.855 2.855 2.855 . 0 0 "[ ]" 1
1248 1 64 ILE HA 1 64 ILE QG . . 3.710 2.776 2.776 2.776 . 0 0 "[ ]" 1
1249 1 64 ILE HA 1 64 ILE HG13 . . 4.100 3.785 3.785 3.785 . 0 0 "[ ]" 1
1250 1 64 ILE HA 1 67 LEU H . . 4.200 3.321 3.321 3.321 . 0 0 "[ ]" 1
1251 1 64 ILE HA 1 67 LEU HB2 . . 4.000 2.340 2.340 2.340 . 0 0 "[ ]" 1
1252 1 64 ILE HA 1 67 LEU HB3 . . 3.800 3.853 3.853 3.853 0.053 1 0 "[ ]" 1
1253 1 64 ILE HA 1 67 LEU MD1 . . 7.000 4.728 4.728 4.728 . 0 0 "[ ]" 1
1254 1 64 ILE HA 1 67 LEU MD2 . . 7.000 2.758 2.758 2.758 . 0 0 "[ ]" 1
1255 1 64 ILE HA 1 69 TYR QD . . 8.000 4.955 4.955 4.955 . 0 0 "[ ]" 1
1256 1 64 ILE HA 1 69 TYR QE . . 8.000 6.792 6.792 6.792 . 0 0 "[ ]" 1
1257 1 64 ILE HB 1 65 GLU H . . 3.700 2.600 2.600 2.600 . 0 0 "[ ]" 1
1258 1 64 ILE MD 1 65 GLU H . . 6.500 4.913 4.913 4.913 . 0 0 "[ ]" 1
1259 1 64 ILE MD 1 69 TYR H . . 7.000 5.459 5.459 5.459 . 0 0 "[ ]" 1
1260 1 64 ILE MD 1 69 TYR QD . . 9.000 5.042 5.042 5.042 . 0 0 "[ ]" 1
1261 1 64 ILE MD 1 69 TYR QE . . 9.000 6.374 6.374 6.374 . 0 0 "[ ]" 1
1262 1 64 ILE MD 1 70 HIS HA . . 7.000 5.131 5.131 5.131 . 0 0 "[ ]" 1
1263 1 64 ILE MD 1 71 VAL H . . 6.300 4.451 4.451 4.451 . 0 0 "[ ]" 1
1264 1 64 ILE MD 1 71 VAL MG1 . . 8.000 3.313 3.313 3.313 . 0 0 "[ ]" 1
1265 1 64 ILE QG 1 70 HIS HA . . 6.880 5.172 5.172 5.172 . 0 0 "[ ]" 1
1266 1 64 ILE HG12 1 65 GLU H . . 6.000 4.488 4.488 4.488 . 0 0 "[ ]" 1
1267 1 64 ILE HG13 1 65 GLU H . . 6.000 4.830 4.830 4.830 . 0 0 "[ ]" 1
1268 1 64 ILE MG 1 65 GLU H . . 7.000 3.231 3.231 3.231 . 0 0 "[ ]" 1
1269 1 64 ILE MG 1 69 TYR H . . 7.000 3.387 3.387 3.387 . 0 0 "[ ]" 1
1270 1 64 ILE MG 1 71 VAL HB . . 7.000 2.090 2.090 2.090 . 0 0 "[ ]" 1
1271 1 65 GLU H 1 65 GLU HB2 . . 3.900 2.263 2.263 2.263 . 0 0 "[ ]" 1
1272 1 65 GLU H 1 65 GLU QB . . 3.700 2.237 2.237 2.237 . 0 0 "[ ]" 1
1273 1 65 GLU H 1 65 GLU HB3 . . 3.900 3.515 3.515 3.515 . 0 0 "[ ]" 1
1274 1 65 GLU H 1 65 GLU HG2 . . 3.900 2.373 2.373 2.373 . 0 0 "[ ]" 1
1275 1 65 GLU H 1 65 GLU QG . . 3.650 2.338 2.338 2.338 . 0 0 "[ ]" 1
1276 1 65 GLU H 1 65 GLU HG3 . . 3.900 3.524 3.524 3.524 . 0 0 "[ ]" 1
1277 1 65 GLU H 1 66 LYS H . . 3.500 2.781 2.781 2.781 . 0 0 "[ ]" 1
1278 1 65 GLU H 1 69 TYR H . . 6.000 4.909 4.909 4.909 . 0 0 "[ ]" 1
1279 1 65 GLU HA 1 65 GLU HG2 . . 4.200 2.758 2.758 2.758 . 0 0 "[ ]" 1
1280 1 65 GLU HA 1 65 GLU QG . . 3.910 2.684 2.684 2.684 . 0 0 "[ ]" 1
1281 1 65 GLU HA 1 65 GLU HG3 . . 4.200 3.674 3.674 3.674 . 0 0 "[ ]" 1
1282 1 65 GLU HA 1 67 LEU H . . 5.500 4.578 4.578 4.578 . 0 0 "[ ]" 1
1283 1 65 GLU HA 1 68 GLY H . . 4.200 3.580 3.580 3.580 . 0 0 "[ ]" 1
1284 1 65 GLU HA 1 69 TYR H . . 3.600 3.114 3.114 3.114 . 0 0 "[ ]" 1
1285 1 65 GLU QB 1 66 LYS H . . 3.490 2.623 2.623 2.623 . 0 0 "[ ]" 1
1286 1 65 GLU QB 1 71 VAL H . . 6.880 6.171 6.171 6.171 . 0 0 "[ ]" 1
1287 1 65 GLU HB2 1 66 LYS H . . 3.700 2.706 2.706 2.706 . 0 0 "[ ]" 1
1288 1 65 GLU HB3 1 66 LYS H . . 3.700 3.518 3.518 3.518 . 0 0 "[ ]" 1
1289 1 65 GLU QG 1 70 HIS HA . . 6.880 3.663 3.663 3.663 . 0 0 "[ ]" 1
1290 1 65 GLU QG 1 71 VAL H . . 5.840 4.335 4.335 4.335 . 0 0 "[ ]" 1
1291 1 65 GLU HG2 1 66 LYS H . . 6.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
1292 1 65 GLU HG2 1 71 VAL H . . 6.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
1293 1 65 GLU HG3 1 66 LYS H . . 6.000 5.029 5.029 5.029 . 0 0 "[ ]" 1
1294 1 65 GLU HG3 1 71 VAL H . . 6.000 6.015 6.015 6.015 0.015 1 0 "[ ]" 1
1295 1 66 LYS H 1 66 LYS HB2 . . 3.700 2.245 2.245 2.245 . 0 0 "[ ]" 1
1296 1 66 LYS H 1 66 LYS HB3 . . 3.700 2.694 2.694 2.694 . 0 0 "[ ]" 1
1297 1 66 LYS H 1 66 LYS QD . . 5.100 4.546 4.546 4.546 . 0 0 "[ ]" 1
1298 1 66 LYS H 1 66 LYS HE2 . . 6.000 4.049 4.049 4.049 . 0 0 "[ ]" 1
1299 1 66 LYS H 1 66 LYS HE3 . . 6.000 4.729 4.729 4.729 . 0 0 "[ ]" 1
1300 1 66 LYS H 1 67 LEU H . . 3.600 2.563 2.563 2.563 . 0 0 "[ ]" 1
1301 1 66 LYS H 1 67 LEU HA . . 6.000 5.218 5.218 5.218 . 0 0 "[ ]" 1
1302 1 66 LYS H 1 67 LEU MD1 . . 7.000 5.865 5.865 5.865 . 0 0 "[ ]" 1
1303 1 66 LYS H 1 67 LEU MD2 . . 7.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
1304 1 66 LYS H 1 68 GLY H . . 5.100 3.766 3.766 3.766 . 0 0 "[ ]" 1
1305 1 66 LYS HA 1 66 LYS HB2 . . 3.000 2.593 2.593 2.593 . 0 0 "[ ]" 1
1306 1 66 LYS HA 1 66 LYS HB3 . . 3.000 3.010 3.010 3.010 0.010 1 0 "[ ]" 1
1307 1 66 LYS QB 1 67 LEU H . . 3.850 2.712 2.712 2.712 . 0 0 "[ ]" 1
1308 1 66 LYS QB 1 69 TYR H . . 6.580 5.980 5.980 5.980 . 0 0 "[ ]" 1
1309 1 66 LYS HB2 1 67 LEU H . . 4.100 3.771 3.771 3.771 . 0 0 "[ ]" 1
1310 1 66 LYS HB3 1 67 LEU H . . 4.100 2.780 2.780 2.780 . 0 0 "[ ]" 1
1311 1 66 LYS QD 1 67 LEU H . . 7.000 5.383 5.383 5.383 . 0 0 "[ ]" 1
1312 1 67 LEU H 1 67 LEU HB2 . . 3.400 2.189 2.189 2.189 . 0 0 "[ ]" 1
1313 1 67 LEU H 1 67 LEU MD1 . . 5.300 3.797 3.797 3.797 . 0 0 "[ ]" 1
1314 1 67 LEU H 1 67 LEU QD . . 4.860 2.295 2.295 2.295 . 0 0 "[ ]" 1
1315 1 67 LEU H 1 67 LEU MD2 . . 5.300 2.314 2.314 2.314 . 0 0 "[ ]" 1
1316 1 67 LEU H 1 67 LEU HG . . 3.800 3.892 3.892 3.892 0.092 1 0 "[ ]" 1
1317 1 67 LEU H 1 68 GLY H . . 3.400 2.717 2.717 2.717 . 0 0 "[ ]" 1
1318 1 67 LEU H 1 69 TYR H . . 4.600 4.183 4.183 4.183 . 0 0 "[ ]" 1
1319 1 67 LEU HA 1 67 LEU HB3 . . 3.000 2.678 2.678 2.678 . 0 0 "[ ]" 1
1320 1 67 LEU HA 1 67 LEU HG . . 3.900 3.692 3.692 3.692 . 0 0 "[ ]" 1
1321 1 67 LEU HA 1 69 TYR H . . 6.000 5.105 5.105 5.105 . 0 0 "[ ]" 1
1322 1 67 LEU HB2 1 68 GLY H . . 4.200 3.327 3.327 3.327 . 0 0 "[ ]" 1
1323 1 67 LEU HB2 1 69 TYR H . . 3.900 3.794 3.794 3.794 . 0 0 "[ ]" 1
1324 1 67 LEU HB3 1 68 GLY H . . 5.300 3.851 3.851 3.851 . 0 0 "[ ]" 1
1325 1 67 LEU HB3 1 69 TYR H . . 5.400 4.221 4.221 4.221 . 0 0 "[ ]" 1
1326 1 67 LEU HB3 1 69 TYR QD . . 8.000 2.571 2.571 2.571 . 0 0 "[ ]" 1
1327 1 67 LEU HB3 1 69 TYR QE . . 8.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
1328 1 67 LEU QD 1 69 TYR QD . . 10.570 4.110 4.110 4.110 . 0 0 "[ ]" 1
1329 1 67 LEU QD 1 69 TYR QE . . 10.570 3.972 3.972 3.972 . 0 0 "[ ]" 1
1330 1 67 LEU MD1 1 68 GLY H . . 7.000 4.879 4.879 4.879 . 0 0 "[ ]" 1
1331 1 67 LEU MD2 1 68 GLY H . . 7.000 4.443 4.443 4.443 . 0 0 "[ ]" 1
1332 1 67 LEU HG 1 68 GLY H . . 6.000 5.524 5.524 5.524 . 0 0 "[ ]" 1
1333 1 67 LEU HG 1 69 TYR QE . . 8.000 5.487 5.487 5.487 . 0 0 "[ ]" 1
1334 1 68 GLY H 1 69 TYR H . . 3.200 2.213 2.213 2.213 . 0 0 "[ ]" 1
1335 1 68 GLY H 1 69 TYR QD . . 8.000 3.619 3.619 3.619 . 0 0 "[ ]" 1
1336 1 69 TYR H 1 69 TYR HB2 . . 3.800 2.802 2.802 2.802 . 0 0 "[ ]" 1
1337 1 69 TYR H 1 69 TYR HB3 . . 4.100 3.886 3.886 3.886 . 0 0 "[ ]" 1
1338 1 69 TYR H 1 69 TYR QE . . 5.500 4.943 4.943 4.943 . 0 0 "[ ]" 1
1339 1 69 TYR H 1 70 HIS H . . 5.800 4.442 4.442 4.442 . 0 0 "[ ]" 1
1340 1 69 TYR H 1 70 HIS HA . . 6.000 4.485 4.485 4.485 . 0 0 "[ ]" 1
1341 1 69 TYR H 1 71 VAL H . . 6.000 6.049 6.049 6.049 0.049 1 0 "[ ]" 1
1342 1 69 TYR HA 1 69 TYR HB3 . . 3.000 2.468 2.468 2.468 . 0 0 "[ ]" 1
1343 1 69 TYR HA 1 69 TYR QE . . 5.800 4.893 4.893 4.893 . 0 0 "[ ]" 1
1344 1 69 TYR HA 1 70 HIS H . . 3.300 2.634 2.634 2.634 . 0 0 "[ ]" 1
1345 1 69 TYR HA 1 70 HIS QB . . 5.680 4.261 4.261 4.261 . 0 0 "[ ]" 1
1346 1 69 TYR HA 1 70 HIS HD2 . . 6.000 4.192 4.192 4.192 . 0 0 "[ ]" 1
1347 1 69 TYR HB2 1 70 HIS H . . 3.700 3.481 3.481 3.481 . 0 0 "[ ]" 1
1348 1 69 TYR HB3 1 70 HIS H . . 3.700 2.432 2.432 2.432 . 0 0 "[ ]" 1
1349 1 69 TYR QD 1 70 HIS H . . 8.000 4.109 4.109 4.109 . 0 0 "[ ]" 1
1350 1 70 HIS H 1 70 HIS HB2 . . 3.700 3.862 3.862 3.862 0.162 1 0 "[ ]" 1
1351 1 70 HIS H 1 70 HIS QB . . 3.490 3.012 3.012 3.012 . 0 0 "[ ]" 1
1352 1 70 HIS H 1 70 HIS HB3 . . 3.700 3.143 3.143 3.143 . 0 0 "[ ]" 1
1353 1 70 HIS H 1 70 HIS HD2 . . 6.000 2.599 2.599 2.599 . 0 0 "[ ]" 1
1354 1 70 HIS H 1 71 VAL H . . 5.100 4.164 4.164 4.164 . 0 0 "[ ]" 1
1355 1 70 HIS H 1 71 VAL MG1 . . 7.000 5.618 5.618 5.618 . 0 0 "[ ]" 1
1356 1 70 HIS HA 1 71 VAL H . . 2.900 2.039 2.039 2.039 . 0 0 "[ ]" 1
1357 1 70 HIS QB 1 71 VAL H . . 4.370 3.008 3.008 3.008 . 0 0 "[ ]" 1
1358 1 70 HIS HB2 1 70 HIS HD2 . . 4.000 3.900 3.900 3.900 . 0 0 "[ ]" 1
1359 1 70 HIS HB2 1 71 VAL H . . 4.700 3.080 3.080 3.080 . 0 0 "[ ]" 1
1360 1 70 HIS HB3 1 70 HIS HD2 . . 4.000 3.001 3.001 3.001 . 0 0 "[ ]" 1
1361 1 70 HIS HB3 1 71 VAL H . . 4.700 4.214 4.214 4.214 . 0 0 "[ ]" 1
1362 1 70 HIS HD2 1 72 VAL MG1 . . 7.000 5.400 5.400 5.400 . 0 0 "[ ]" 1
1363 1 70 HIS HD2 1 72 VAL MG2 . . 7.000 5.891 5.891 5.891 . 0 0 "[ ]" 1
1364 1 71 VAL H 1 71 VAL HB . . 3.200 2.813 2.813 2.813 . 0 0 "[ ]" 1
1365 1 71 VAL H 1 71 VAL MG1 . . 4.100 2.024 2.024 2.024 . 0 0 "[ ]" 1
1366 1 71 VAL H 1 72 VAL H . . 5.000 4.613 4.613 4.613 . 0 0 "[ ]" 1
1367 1 71 VAL HA 1 72 VAL H . . 2.900 2.309 2.309 2.309 . 0 0 "[ ]" 1
1368 1 71 VAL MG1 1 72 VAL H . . 5.700 3.707 3.707 3.707 . 0 0 "[ ]" 1
1369 1 71 VAL MG1 1 73 ILE MD . . 8.000 2.940 2.940 2.940 . 0 0 "[ ]" 1
1370 1 71 VAL MG2 1 72 VAL H . . 4.700 2.250 2.250 2.250 . 0 0 "[ ]" 1
1371 1 72 VAL H 1 72 VAL HB . . 3.700 3.622 3.622 3.622 . 0 0 "[ ]" 1
1372 1 72 VAL H 1 72 VAL MG1 . . 4.200 3.423 3.423 3.423 . 0 0 "[ ]" 1
1373 1 72 VAL H 1 72 VAL MG2 . . 4.800 2.097 2.097 2.097 . 0 0 "[ ]" 1
1374 1 72 VAL H 1 73 ILE H . . 4.600 4.201 4.201 4.201 . 0 0 "[ ]" 1
1375 1 72 VAL H 1 73 ILE HA . . 6.000 4.954 4.954 4.954 . 0 0 "[ ]" 1
1376 1 72 VAL HA 1 73 ILE H . . 2.800 2.118 2.118 2.118 . 0 0 "[ ]" 1
1377 1 72 VAL HA 1 74 GLU H . . 5.300 4.249 4.249 4.249 . 0 0 "[ ]" 1
1378 1 72 VAL HB 1 73 ILE H . . 3.800 3.732 3.732 3.732 . 0 0 "[ ]" 1
1379 1 72 VAL MG1 1 73 ILE H . . 4.700 3.692 3.692 3.692 . 0 0 "[ ]" 1
1380 1 73 ILE H 1 73 ILE HB . . 3.700 2.593 2.593 2.593 . 0 0 "[ ]" 1
1381 1 73 ILE H 1 73 ILE MD . . 4.800 3.297 3.297 3.297 . 0 0 "[ ]" 1
1382 1 73 ILE H 1 73 ILE HG12 . . 4.100 2.305 2.305 2.305 . 0 0 "[ ]" 1
1383 1 73 ILE H 1 73 ILE HG13 . . 4.100 3.745 3.745 3.745 . 0 0 "[ ]" 1
1384 1 73 ILE H 1 73 ILE MG . . 4.700 3.826 3.826 3.826 . 0 0 "[ ]" 1
1385 1 73 ILE H 1 74 GLU H . . 4.300 3.611 3.611 3.611 . 0 0 "[ ]" 1
1386 1 73 ILE HB 1 74 GLU H . . 4.600 4.433 4.433 4.433 . 0 0 "[ ]" 1
1387 1 73 ILE MD 1 74 GLU H . . 7.000 4.201 4.201 4.201 . 0 0 "[ ]" 1
1388 1 73 ILE HG12 1 74 GLU H . . 6.000 5.124 5.124 5.124 . 0 0 "[ ]" 1
1389 1 73 ILE HG13 1 74 GLU H . . 6.000 5.977 5.977 5.977 . 0 0 "[ ]" 1
1390 1 73 ILE MG 1 74 GLU H . . 4.600 3.854 3.854 3.854 . 0 0 "[ ]" 1
1391 1 73 ILE MG 1 75 GLY H . . 6.300 5.260 5.260 5.260 . 0 0 "[ ]" 1
1392 1 73 ILE MG 1 76 ARG H . . 7.000 4.045 4.045 4.045 . 0 0 "[ ]" 1
1393 1 74 GLU H 1 74 GLU HB2 . . 4.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
1394 1 74 GLU H 1 74 GLU HB3 . . 4.000 3.093 3.093 3.093 . 0 0 "[ ]" 1
1395 1 74 GLU H 1 75 GLY H . . 4.500 4.428 4.428 4.428 . 0 0 "[ ]" 1
1396 1 74 GLU HA 1 75 GLY H . . 3.300 2.356 2.356 2.356 . 0 0 "[ ]" 1
1397 1 74 GLU HB2 1 75 GLY H . . 5.400 4.101 4.101 4.101 . 0 0 "[ ]" 1
1398 1 74 GLU HB3 1 75 GLY H . . 5.400 3.213 3.213 3.213 . 0 0 "[ ]" 1
1399 1 74 GLU QG 1 75 GLY H . . 7.000 2.039 2.039 2.039 . 0 0 "[ ]" 1
1400 1 75 GLY H 1 76 ARG H . . 4.500 3.671 3.671 3.671 . 0 0 "[ ]" 1
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