NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
378181 |
1gxg   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gxg
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 1222
_Distance_constraint_stats_list.Viol_count 172
_Distance_constraint_stats_list.Viol_total 11.655
_Distance_constraint_stats_list.Viol_max 0.113
_Distance_constraint_stats_list.Viol_rms 0.0256
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0678
_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 2 GLU 0.093 0.093 1 0 "[ ]"
1 3 LEU 0.255 0.111 1 0 "[ ]"
1 4 LYS 0.162 0.095 1 0 "[ ]"
1 5 ASN 0.078 0.078 1 0 "[ ]"
1 6 SER 0.586 0.101 1 0 "[ ]"
1 7 ILE 0.164 0.084 1 0 "[ ]"
1 8 SER 0.218 0.082 1 0 "[ ]"
1 9 ASP 0.180 0.061 1 0 "[ ]"
1 10 TYR 0.154 0.083 1 0 "[ ]"
1 11 THR 0.118 0.055 1 0 "[ ]"
1 12 GLU 0.133 0.082 1 0 "[ ]"
1 13 THR 0.069 0.055 1 0 "[ ]"
1 14 GLU 0.365 0.095 1 0 "[ ]"
1 15 PHE 0.177 0.081 1 0 "[ ]"
1 16 LYS 0.427 0.092 1 0 "[ ]"
1 17 LYS 0.027 0.027 1 0 "[ ]"
1 18 ILE 0.233 0.095 1 0 "[ ]"
1 19 ILE 0.276 0.095 1 0 "[ ]"
1 20 GLU 0.382 0.087 1 0 "[ ]"
1 21 ASP 0.082 0.082 1 0 "[ ]"
1 22 ILE 0.166 0.105 1 0 "[ ]"
1 23 ILE 0.408 0.105 1 0 "[ ]"
1 24 ASN 0.336 0.110 1 0 "[ ]"
1 25 CYS 0.000 0.000 . 0 "[ ]"
1 26 GLU 0.166 0.095 1 0 "[ ]"
1 27 GLY 0.070 0.070 1 0 "[ ]"
1 28 ASP 0.038 0.038 1 0 "[ ]"
1 29 GLU 0.250 0.099 1 0 "[ ]"
1 30 LYS 0.488 0.099 1 0 "[ ]"
1 31 LYS 0.408 0.086 1 0 "[ ]"
1 32 GLN 0.198 0.078 1 0 "[ ]"
1 33 ASP 0.376 0.097 1 0 "[ ]"
1 34 ASP 0.163 0.078 1 0 "[ ]"
1 35 ASN 0.233 0.088 1 0 "[ ]"
1 36 LEU 0.431 0.093 1 0 "[ ]"
1 37 GLU 0.268 0.090 1 0 "[ ]"
1 38 HIS 0.113 0.067 1 0 "[ ]"
1 39 PHE 0.215 0.088 1 0 "[ ]"
1 40 ILE 0.190 0.085 1 0 "[ ]"
1 41 SER 0.215 0.073 1 0 "[ ]"
1 42 VAL 0.222 0.113 1 0 "[ ]"
1 43 THR 0.234 0.092 1 0 "[ ]"
1 44 GLU 0.132 0.068 1 0 "[ ]"
1 45 HIS 0.493 0.100 1 0 "[ ]"
1 46 PRO 0.089 0.089 1 0 "[ ]"
1 47 SER 0.130 0.083 1 0 "[ ]"
1 48 GLY 0.170 0.080 1 0 "[ ]"
1 49 SER 0.201 0.085 1 0 "[ ]"
1 50 ASP 0.069 0.069 1 0 "[ ]"
1 51 LEU 0.291 0.085 1 0 "[ ]"
1 52 ILE 0.153 0.091 1 0 "[ ]"
1 53 TYR 0.215 0.085 1 0 "[ ]"
1 54 TYR 0.000 0.000 . 0 "[ ]"
1 55 PRO 0.082 0.082 1 0 "[ ]"
1 56 GLU 0.246 0.075 1 0 "[ ]"
1 57 GLY 0.233 0.092 1 0 "[ ]"
1 58 ASN 0.099 0.099 1 0 "[ ]"
1 59 ASN 0.631 0.095 1 0 "[ ]"
1 60 ASP 0.063 0.063 1 0 "[ ]"
1 61 GLY 0.147 0.078 1 0 "[ ]"
1 62 SER 0.310 0.098 1 0 "[ ]"
1 63 PRO 0.131 0.075 1 0 "[ ]"
1 64 GLU 0.489 0.092 1 0 "[ ]"
1 65 ALA 0.218 0.082 1 0 "[ ]"
1 66 VAL 0.173 0.090 1 0 "[ ]"
1 67 ILE 0.255 0.074 1 0 "[ ]"
1 68 LYS 0.576 0.097 1 0 "[ ]"
1 69 GLU 0.434 0.096 1 0 "[ ]"
1 70 ILE 0.511 0.109 1 0 "[ ]"
1 71 LYS 0.087 0.087 1 0 "[ ]"
1 72 GLU 0.518 0.106 1 0 "[ ]"
1 73 TRP 0.619 0.100 1 0 "[ ]"
1 74 ARG 0.224 0.091 1 0 "[ ]"
1 75 ALA 0.217 0.087 1 0 "[ ]"
1 76 ALA 0.069 0.069 1 0 "[ ]"
1 77 ASN 0.178 0.093 1 0 "[ ]"
1 78 GLY 0.000 0.000 . 0 "[ ]"
1 79 LYS 0.263 0.095 1 0 "[ ]"
1 80 SER 0.000 0.000 . 0 "[ ]"
1 81 GLY 0.147 0.077 1 0 "[ ]"
1 82 PHE 0.213 0.077 1 0 "[ ]"
1 83 LYS 0.196 0.097 1 0 "[ ]"
1 84 GLN 0.130 0.080 1 0 "[ ]"
1 85 GLY 0.130 0.080 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU HA 1 3 LEU H . . 2.620 2.713 2.713 2.713 0.093 1 0 "[ ]" 1
2 1 2 GLU QB 1 3 LEU H . . 4.280 3.788 3.788 3.788 . 0 0 "[ ]" 1
3 1 2 GLU HB2 1 3 LEU H . . 5.020 4.120 4.120 4.120 . 0 0 "[ ]" 1
4 1 2 GLU HB3 1 3 LEU H . . 5.020 4.421 4.421 4.421 . 0 0 "[ ]" 1
5 1 3 LEU H 1 3 LEU HA . . 2.560 2.671 2.671 2.671 0.111 1 0 "[ ]" 1
6 1 3 LEU H 1 3 LEU HB2 . . 3.880 2.286 2.286 2.286 . 0 0 "[ ]" 1
7 1 3 LEU H 1 3 LEU QB . . 3.280 2.260 2.260 2.260 . 0 0 "[ ]" 1
8 1 3 LEU H 1 3 LEU HB3 . . 3.880 3.535 3.535 3.535 . 0 0 "[ ]" 1
9 1 3 LEU H 1 3 LEU HG . . 2.530 2.579 2.579 2.579 0.049 1 0 "[ ]" 1
10 1 3 LEU HA 1 3 LEU HG . . 3.460 2.726 2.726 2.726 . 0 0 "[ ]" 1
11 1 3 LEU HA 1 4 LYS H . . 2.770 2.772 2.772 2.772 0.002 1 0 "[ ]" 1
12 1 3 LEU QB 1 3 LEU HG . . 2.640 2.406 2.406 2.406 . 0 0 "[ ]" 1
13 1 3 LEU QB 1 4 LYS H . . 4.460 1.993 1.993 1.993 . 0 0 "[ ]" 1
14 1 3 LEU QB 1 38 HIS HD2 . . 6.380 3.824 3.824 3.824 . 0 0 "[ ]" 1
15 1 3 LEU QB 1 38 HIS HE1 . . 4.640 2.745 2.745 2.745 . 0 0 "[ ]" 1
16 1 3 LEU QD 1 4 LYS H . . 8.100 3.009 3.009 3.009 . 0 0 "[ ]" 1
17 1 3 LEU QD 1 4 LYS HA . . 6.950 4.997 4.997 4.997 . 0 0 "[ ]" 1
18 1 3 LEU QD 1 18 ILE H . . 8.100 5.633 5.633 5.633 . 0 0 "[ ]" 1
19 1 3 LEU QD 1 38 HIS QB . . 6.500 3.413 3.413 3.413 . 0 0 "[ ]" 1
20 1 3 LEU QD 1 38 HIS HD2 . . 7.010 3.537 3.537 3.537 . 0 0 "[ ]" 1
21 1 3 LEU QD 1 38 HIS HE1 . . 8.100 4.249 4.249 4.249 . 0 0 "[ ]" 1
22 1 3 LEU MD1 1 38 HIS HB2 . . 8.280 3.842 3.842 3.842 . 0 0 "[ ]" 1
23 1 3 LEU MD1 1 38 HIS HB3 . . 8.280 3.882 3.882 3.882 . 0 0 "[ ]" 1
24 1 3 LEU MD2 1 38 HIS HB2 . . 8.280 6.264 6.264 6.264 . 0 0 "[ ]" 1
25 1 3 LEU MD2 1 38 HIS HB3 . . 8.280 6.529 6.529 6.529 . 0 0 "[ ]" 1
26 1 4 LYS H 1 4 LYS HA . . 2.770 2.775 2.775 2.775 0.005 1 0 "[ ]" 1
27 1 4 LYS H 1 4 LYS QB . . 3.720 2.811 2.811 2.811 . 0 0 "[ ]" 1
28 1 4 LYS H 1 4 LYS QG . . 4.070 1.919 1.919 1.919 . 0 0 "[ ]" 1
29 1 4 LYS H 1 10 TYR QE . . 6.160 3.600 3.600 3.600 . 0 0 "[ ]" 1
30 1 4 LYS HA 1 4 LYS QG . . 3.800 2.779 2.779 2.779 . 0 0 "[ ]" 1
31 1 4 LYS HA 1 5 ASN H . . 2.710 2.062 2.062 2.062 . 0 0 "[ ]" 1
32 1 4 LYS HA 1 6 SER H . . 3.760 3.855 3.855 3.855 0.095 1 0 "[ ]" 1
33 1 4 LYS HA 1 9 ASP QB . . 5.870 3.939 3.939 3.939 . 0 0 "[ ]" 1
34 1 4 LYS HA 1 10 TYR QE . . 6.220 4.587 4.587 4.587 . 0 0 "[ ]" 1
35 1 4 LYS QB 1 5 ASN H . . 3.980 3.226 3.226 3.226 . 0 0 "[ ]" 1
36 1 4 LYS QB 1 6 SER H . . 4.670 2.973 2.973 2.973 . 0 0 "[ ]" 1
37 1 4 LYS QB 1 9 ASP QB . . 3.680 2.053 2.053 2.053 . 0 0 "[ ]" 1
38 1 4 LYS QB 1 10 TYR QE . . 5.990 2.214 2.214 2.214 . 0 0 "[ ]" 1
39 1 4 LYS HB2 1 9 ASP HB2 . . 4.940 4.999 4.999 4.999 0.059 1 0 "[ ]" 1
40 1 4 LYS HB2 1 9 ASP HB3 . . 4.940 3.302 3.302 3.302 . 0 0 "[ ]" 1
41 1 4 LYS HB2 1 10 TYR QE . . 6.220 2.227 2.227 2.227 . 0 0 "[ ]" 1
42 1 4 LYS HB3 1 9 ASP HB2 . . 4.940 3.595 3.595 3.595 . 0 0 "[ ]" 1
43 1 4 LYS HB3 1 9 ASP HB3 . . 4.940 2.088 2.088 2.088 . 0 0 "[ ]" 1
44 1 4 LYS HB3 1 10 TYR QE . . 6.220 3.886 3.886 3.886 . 0 0 "[ ]" 1
45 1 4 LYS QE 1 10 TYR QD . . 7.530 3.954 3.954 3.954 . 0 0 "[ ]" 1
46 1 4 LYS QE 1 10 TYR QE . . 7.520 4.140 4.140 4.140 . 0 0 "[ ]" 1
47 1 4 LYS QG 1 9 ASP QB . . 5.580 3.565 3.565 3.565 . 0 0 "[ ]" 1
48 1 4 LYS QG 1 10 TYR QD . . 8.520 4.500 4.500 4.500 . 0 0 "[ ]" 1
49 1 4 LYS QG 1 10 TYR QE . . 6.710 3.792 3.792 3.792 . 0 0 "[ ]" 1
50 1 5 ASN H 1 6 SER H . . 2.860 2.938 2.938 2.938 0.078 1 0 "[ ]" 1
51 1 5 ASN H 1 9 ASP QB . . 5.480 4.134 4.134 4.134 . 0 0 "[ ]" 1
52 1 5 ASN QB 1 6 SER H . . 4.430 3.550 3.550 3.550 . 0 0 "[ ]" 1
53 1 6 SER H 1 6 SER HB2 . . 3.760 2.929 2.929 2.929 . 0 0 "[ ]" 1
54 1 6 SER H 1 6 SER QB . . 3.490 2.845 2.845 2.845 . 0 0 "[ ]" 1
55 1 6 SER H 1 6 SER HB3 . . 3.760 3.861 3.861 3.861 0.101 1 0 "[ ]" 1
56 1 6 SER H 1 9 ASP H . . 3.700 3.760 3.760 3.760 0.060 1 0 "[ ]" 1
57 1 6 SER H 1 9 ASP HB2 . . 3.970 4.031 4.031 4.031 0.061 1 0 "[ ]" 1
58 1 6 SER H 1 9 ASP QB . . 3.480 3.130 3.130 3.130 . 0 0 "[ ]" 1
59 1 6 SER H 1 9 ASP HB3 . . 3.970 3.262 3.262 3.262 . 0 0 "[ ]" 1
60 1 6 SER H 1 42 VAL MG1 . . 6.530 3.142 3.142 3.142 . 0 0 "[ ]" 1
61 1 6 SER H 1 42 VAL MG2 . . 6.530 5.479 5.479 5.479 . 0 0 "[ ]" 1
62 1 6 SER HA 1 6 SER HB2 . . 2.980 3.021 3.021 3.021 0.041 1 0 "[ ]" 1
63 1 6 SER HA 1 6 SER HB3 . . 2.980 2.338 2.338 2.338 . 0 0 "[ ]" 1
64 1 6 SER HA 1 7 ILE H . . 2.680 2.242 2.242 2.242 . 0 0 "[ ]" 1
65 1 6 SER HA 1 7 ILE HA . . 5.050 4.384 4.384 4.384 . 0 0 "[ ]" 1
66 1 6 SER HA 1 8 SER H . . 4.120 4.185 4.185 4.185 0.065 1 0 "[ ]" 1
67 1 6 SER HA 1 42 VAL HA . . 4.030 2.590 2.590 2.590 . 0 0 "[ ]" 1
68 1 6 SER HA 1 42 VAL HB . . 3.760 3.471 3.471 3.471 . 0 0 "[ ]" 1
69 1 6 SER HA 1 42 VAL MG1 . . 5.780 2.563 2.563 2.563 . 0 0 "[ ]" 1
70 1 6 SER HA 1 42 VAL QG . . 5.270 2.553 2.553 2.553 . 0 0 "[ ]" 1
71 1 6 SER HA 1 42 VAL MG2 . . 5.780 4.773 4.773 4.773 . 0 0 "[ ]" 1
72 1 6 SER QB 1 7 ILE H . . 3.290 2.590 2.590 2.590 . 0 0 "[ ]" 1
73 1 6 SER QB 1 7 ILE MG . . 7.410 4.342 4.342 4.342 . 0 0 "[ ]" 1
74 1 6 SER QB 1 9 ASP H . . 4.550 2.847 2.847 2.847 . 0 0 "[ ]" 1
75 1 6 SER HB2 1 7 ILE H . . 3.610 3.694 3.694 3.694 0.084 1 0 "[ ]" 1
76 1 6 SER HB2 1 8 SER H . . 3.280 3.009 3.009 3.009 . 0 0 "[ ]" 1
77 1 6 SER HB3 1 7 ILE H . . 3.610 2.645 2.645 2.645 . 0 0 "[ ]" 1
78 1 6 SER HB3 1 8 SER H . . 3.280 2.664 2.664 2.664 . 0 0 "[ ]" 1
79 1 7 ILE H 1 7 ILE HB . . 2.740 1.994 1.994 1.994 . 0 0 "[ ]" 1
80 1 7 ILE H 1 7 ILE HG12 . . 3.700 2.936 2.936 2.936 . 0 0 "[ ]" 1
81 1 7 ILE H 1 7 ILE QG . . 3.240 2.840 2.840 2.840 . 0 0 "[ ]" 1
82 1 7 ILE H 1 7 ILE HG13 . . 3.700 3.780 3.780 3.780 0.080 1 0 "[ ]" 1
83 1 7 ILE H 1 7 ILE MG . . 4.480 3.476 3.476 3.476 . 0 0 "[ ]" 1
84 1 7 ILE H 1 8 SER H . . 3.250 2.934 2.934 2.934 . 0 0 "[ ]" 1
85 1 7 ILE H 1 9 ASP H . . 5.500 4.301 4.301 4.301 . 0 0 "[ ]" 1
86 1 7 ILE H 1 42 VAL HA . . 3.790 2.990 2.990 2.990 . 0 0 "[ ]" 1
87 1 7 ILE H 1 42 VAL MG1 . . 6.530 3.389 3.389 3.389 . 0 0 "[ ]" 1
88 1 7 ILE H 1 42 VAL MG2 . . 6.530 4.240 4.240 4.240 . 0 0 "[ ]" 1
89 1 7 ILE HA 1 7 ILE MD . . 3.920 2.183 2.183 2.183 . 0 0 "[ ]" 1
90 1 7 ILE HA 1 7 ILE QG . . 3.630 2.473 2.473 2.473 . 0 0 "[ ]" 1
91 1 7 ILE HA 1 9 ASP H . . 4.540 3.837 3.837 3.837 . 0 0 "[ ]" 1
92 1 7 ILE HA 1 10 TYR H . . 4.060 3.087 3.087 3.087 . 0 0 "[ ]" 1
93 1 7 ILE HA 1 10 TYR QD . . 4.880 2.621 2.621 2.621 . 0 0 "[ ]" 1
94 1 7 ILE HA 1 42 VAL QG . . 7.810 3.215 3.215 3.215 . 0 0 "[ ]" 1
95 1 7 ILE HB 1 8 SER H . . 3.640 3.149 3.149 3.149 . 0 0 "[ ]" 1
96 1 7 ILE HB 1 10 TYR QD . . 6.560 5.269 5.269 5.269 . 0 0 "[ ]" 1
97 1 7 ILE HB 1 42 VAL QG . . 8.090 4.164 4.164 4.164 . 0 0 "[ ]" 1
98 1 7 ILE MD 1 10 TYR QD . . 8.670 3.628 3.628 3.628 . 0 0 "[ ]" 1
99 1 7 ILE MD 1 15 PHE QD . . 8.650 3.419 3.419 3.419 . 0 0 "[ ]" 1
100 1 7 ILE MD 1 15 PHE HZ . . 5.350 3.201 3.201 3.201 . 0 0 "[ ]" 1
101 1 7 ILE MD 1 42 VAL QG . . 9.120 2.732 2.732 2.732 . 0 0 "[ ]" 1
102 1 7 ILE MD 1 43 THR H . . 6.530 4.198 4.198 4.198 . 0 0 "[ ]" 1
103 1 7 ILE MD 1 43 THR HA . . 4.050 3.143 3.143 3.143 . 0 0 "[ ]" 1
104 1 7 ILE MD 1 43 THR MG . . 5.040 2.380 2.380 2.380 . 0 0 "[ ]" 1
105 1 7 ILE MD 1 70 ILE QG . . 7.410 3.558 3.558 3.558 . 0 0 "[ ]" 1
106 1 7 ILE MD 1 74 ARG QD . . 7.410 4.456 4.456 4.456 . 0 0 "[ ]" 1
107 1 7 ILE MD 1 82 PHE QD . . 8.650 2.141 2.141 2.141 . 0 0 "[ ]" 1
108 1 7 ILE MD 1 82 PHE QE . . 7.440 2.126 2.126 2.126 . 0 0 "[ ]" 1
109 1 7 ILE MD 1 82 PHE HZ . . 4.730 3.699 3.699 3.699 . 0 0 "[ ]" 1
110 1 7 ILE QG 1 10 TYR QD . . 8.490 4.264 4.264 4.264 . 0 0 "[ ]" 1
111 1 7 ILE QG 1 15 PHE QD . . 5.950 4.939 4.939 4.939 . 0 0 "[ ]" 1
112 1 7 ILE QG 1 43 THR HA . . 4.880 1.912 1.912 1.912 . 0 0 "[ ]" 1
113 1 7 ILE QG 1 82 PHE QD . . 6.700 4.193 4.193 4.193 . 0 0 "[ ]" 1
114 1 7 ILE QG 1 82 PHE QE . . 7.450 4.109 4.109 4.109 . 0 0 "[ ]" 1
115 1 7 ILE MG 1 8 SER H . . 4.570 2.788 2.788 2.788 . 0 0 "[ ]" 1
116 1 7 ILE MG 1 10 TYR QD . . 8.670 4.900 4.900 4.900 . 0 0 "[ ]" 1
117 1 7 ILE MG 1 42 VAL MG1 . . 7.560 5.304 5.304 5.304 . 0 0 "[ ]" 1
118 1 7 ILE MG 1 42 VAL MG2 . . 7.560 4.725 4.725 4.725 . 0 0 "[ ]" 1
119 1 7 ILE MG 1 43 THR HA . . 6.530 3.793 3.793 3.793 . 0 0 "[ ]" 1
120 1 7 ILE MG 1 70 ILE MG . . 7.560 3.322 3.322 3.322 . 0 0 "[ ]" 1
121 1 7 ILE MG 1 74 ARG QD . . 7.410 3.609 3.609 3.609 . 0 0 "[ ]" 1
122 1 7 ILE MG 1 82 PHE H . . 6.530 2.976 2.976 2.976 . 0 0 "[ ]" 1
123 1 7 ILE MG 1 82 PHE QD . . 8.650 3.064 3.064 3.064 . 0 0 "[ ]" 1
124 1 7 ILE MG 1 82 PHE QE . . 8.650 4.038 4.038 4.038 . 0 0 "[ ]" 1
125 1 7 ILE MG 1 82 PHE HZ . . 6.530 5.298 5.298 5.298 . 0 0 "[ ]" 1
126 1 7 ILE MG 1 83 LYS H . . 6.530 4.774 4.774 4.774 . 0 0 "[ ]" 1
127 1 8 SER H 1 8 SER HB2 . . 3.100 2.502 2.502 2.502 . 0 0 "[ ]" 1
128 1 8 SER H 1 8 SER HB3 . . 3.100 2.603 2.603 2.603 . 0 0 "[ ]" 1
129 1 8 SER H 1 9 ASP H . . 3.130 2.810 2.810 2.810 . 0 0 "[ ]" 1
130 1 8 SER HA 1 9 ASP H . . 3.640 3.454 3.454 3.454 . 0 0 "[ ]" 1
131 1 8 SER HA 1 10 TYR H . . 3.700 3.771 3.771 3.771 0.071 1 0 "[ ]" 1
132 1 8 SER HA 1 82 PHE QD . . 7.140 5.101 5.101 5.101 . 0 0 "[ ]" 1
133 1 8 SER HA 1 83 LYS H . . 3.520 3.602 3.602 3.602 0.082 1 0 "[ ]" 1
134 1 9 ASP H 1 9 ASP HB2 . . 3.220 2.975 2.975 2.975 . 0 0 "[ ]" 1
135 1 9 ASP H 1 9 ASP QB . . 2.930 2.520 2.520 2.520 . 0 0 "[ ]" 1
136 1 9 ASP H 1 9 ASP HB3 . . 3.220 2.721 2.721 2.721 . 0 0 "[ ]" 1
137 1 9 ASP H 1 10 TYR H . . 2.950 2.167 2.167 2.167 . 0 0 "[ ]" 1
138 1 9 ASP H 1 10 TYR QD . . 7.040 3.823 3.823 3.823 . 0 0 "[ ]" 1
139 1 9 ASP HA 1 9 ASP HB2 . . 3.040 2.479 2.479 2.479 . 0 0 "[ ]" 1
140 1 9 ASP HA 1 9 ASP QB . . 2.730 2.365 2.365 2.365 . 0 0 "[ ]" 1
141 1 9 ASP HA 1 9 ASP HB3 . . 3.040 2.991 2.991 2.991 . 0 0 "[ ]" 1
142 1 9 ASP QB 1 10 TYR H . . 4.110 3.226 3.226 3.226 . 0 0 "[ ]" 1
143 1 9 ASP QB 1 10 TYR QD . . 8.520 3.923 3.923 3.923 . 0 0 "[ ]" 1
144 1 9 ASP QB 1 10 TYR QE . . 7.160 4.946 4.946 4.946 . 0 0 "[ ]" 1
145 1 9 ASP HB2 1 10 TYR H . . 4.390 4.327 4.327 4.327 . 0 0 "[ ]" 1
146 1 9 ASP HB3 1 10 TYR H . . 4.390 3.329 3.329 3.329 . 0 0 "[ ]" 1
147 1 10 TYR H 1 10 TYR HB2 . . 3.340 2.220 2.220 2.220 . 0 0 "[ ]" 1
148 1 10 TYR H 1 10 TYR QB . . 3.070 2.194 2.194 2.194 . 0 0 "[ ]" 1
149 1 10 TYR H 1 10 TYR HB3 . . 3.340 3.423 3.423 3.423 0.083 1 0 "[ ]" 1
150 1 10 TYR H 1 82 PHE QD . . 6.390 4.352 4.352 4.352 . 0 0 "[ ]" 1
151 1 10 TYR H 1 83 LYS H . . 5.050 4.546 4.546 4.546 . 0 0 "[ ]" 1
152 1 10 TYR HA 1 11 THR H . . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 1
153 1 10 TYR QB 1 11 THR H . . 4.090 2.398 2.398 2.398 . 0 0 "[ ]" 1
154 1 10 TYR QB 1 15 PHE H . . 4.310 3.480 3.480 3.480 . 0 0 "[ ]" 1
155 1 10 TYR QB 1 15 PHE QD . . 7.150 3.626 3.626 3.626 . 0 0 "[ ]" 1
156 1 10 TYR QB 1 82 PHE QE . . 6.160 3.740 3.740 3.740 . 0 0 "[ ]" 1
157 1 10 TYR HB2 1 11 THR H . . 4.660 3.778 3.778 3.778 . 0 0 "[ ]" 1
158 1 10 TYR HB2 1 82 PHE QD . . 5.340 2.467 2.467 2.467 . 0 0 "[ ]" 1
159 1 10 TYR HB2 1 82 PHE QE . . 6.360 4.341 4.341 4.341 . 0 0 "[ ]" 1
160 1 10 TYR HB3 1 11 THR H . . 4.660 2.426 2.426 2.426 . 0 0 "[ ]" 1
161 1 10 TYR HB3 1 82 PHE QD . . 5.340 2.420 2.420 2.420 . 0 0 "[ ]" 1
162 1 10 TYR HB3 1 82 PHE QE . . 6.360 4.083 4.083 4.083 . 0 0 "[ ]" 1
163 1 10 TYR QD 1 11 THR H . . 6.290 3.240 3.240 3.240 . 0 0 "[ ]" 1
164 1 10 TYR QD 1 11 THR MG . . 8.670 5.394 5.394 5.394 . 0 0 "[ ]" 1
165 1 10 TYR QD 1 14 GLU QB . . 6.060 2.529 2.529 2.529 . 0 0 "[ ]" 1
166 1 10 TYR QD 1 14 GLU QG . . 8.430 4.682 4.682 4.682 . 0 0 "[ ]" 1
167 1 10 TYR QD 1 15 PHE H . . 6.740 2.662 2.662 2.662 . 0 0 "[ ]" 1
168 1 10 TYR QD 1 15 PHE HA . . 6.620 2.636 2.636 2.636 . 0 0 "[ ]" 1
169 1 10 TYR QD 1 15 PHE QB . . 7.470 2.492 2.492 2.492 . 0 0 "[ ]" 1
170 1 10 TYR QD 1 15 PHE QD . . 8.320 2.769 2.769 2.769 . 0 0 "[ ]" 1
171 1 10 TYR QD 1 42 VAL HA . . 6.710 5.072 5.072 5.072 . 0 0 "[ ]" 1
172 1 10 TYR QD 1 42 VAL MG1 . . 8.670 2.789 2.789 2.789 . 0 0 "[ ]" 1
173 1 10 TYR QD 1 42 VAL MG2 . . 8.670 3.345 3.345 3.345 . 0 0 "[ ]" 1
174 1 10 TYR QD 1 82 PHE QB . . 6.120 4.711 4.711 4.711 . 0 0 "[ ]" 1
175 1 10 TYR QD 1 82 PHE QE . . 9.130 4.744 4.744 4.744 . 0 0 "[ ]" 1
176 1 10 TYR QE 1 14 GLU QB . . 8.300 3.338 3.338 3.338 . 0 0 "[ ]" 1
177 1 10 TYR QE 1 38 HIS HE1 . . 5.830 3.242 3.242 3.242 . 0 0 "[ ]" 1
178 1 10 TYR QE 1 42 VAL HA . . 6.790 5.217 5.217 5.217 . 0 0 "[ ]" 1
179 1 10 TYR QE 1 42 VAL MG1 . . 6.520 1.958 1.958 1.958 . 0 0 "[ ]" 1
180 1 10 TYR QE 1 42 VAL QG . . 5.850 1.940 1.940 1.940 . 0 0 "[ ]" 1
181 1 10 TYR QE 1 42 VAL MG2 . . 6.520 3.173 3.173 3.173 . 0 0 "[ ]" 1
182 1 11 THR H 1 11 THR HA . . 2.800 2.853 2.853 2.853 0.053 1 0 "[ ]" 1
183 1 11 THR H 1 11 THR MG . . 3.610 2.962 2.962 2.962 . 0 0 "[ ]" 1
184 1 11 THR H 1 14 GLU H . . 4.360 3.274 3.274 3.274 . 0 0 "[ ]" 1
185 1 11 THR H 1 14 GLU QB . . 4.280 2.257 2.257 2.257 . 0 0 "[ ]" 1
186 1 11 THR H 1 82 PHE QB . . 3.740 3.242 3.242 3.242 . 0 0 "[ ]" 1
187 1 11 THR H 1 83 LYS QB . . 5.210 3.920 3.920 3.920 . 0 0 "[ ]" 1
188 1 11 THR H 1 83 LYS QE . . 5.330 4.059 4.059 4.059 . 0 0 "[ ]" 1
189 1 11 THR HA 1 11 THR MG . . 3.580 2.535 2.535 2.535 . 0 0 "[ ]" 1
190 1 11 THR HA 1 12 GLU H . . 2.650 2.271 2.271 2.271 . 0 0 "[ ]" 1
191 1 11 THR HA 1 13 THR H . . 4.240 4.295 4.295 4.295 0.055 1 0 "[ ]" 1
192 1 11 THR HA 1 82 PHE QB . . 3.860 2.218 2.218 2.218 . 0 0 "[ ]" 1
193 1 11 THR HA 1 82 PHE QD . . 6.030 4.150 4.150 4.150 . 0 0 "[ ]" 1
194 1 11 THR HA 1 83 LYS H . . 3.130 2.326 2.326 2.326 . 0 0 "[ ]" 1
195 1 11 THR HA 1 83 LYS HB2 . . 3.340 2.085 2.085 2.085 . 0 0 "[ ]" 1
196 1 11 THR HA 1 83 LYS QB . . 2.980 1.947 1.947 1.947 . 0 0 "[ ]" 1
197 1 11 THR HA 1 83 LYS HB3 . . 3.340 2.335 2.335 2.335 . 0 0 "[ ]" 1
198 1 11 THR HB 1 12 GLU H . . 2.680 2.415 2.415 2.415 . 0 0 "[ ]" 1
199 1 11 THR HB 1 13 THR H . . 3.070 2.651 2.651 2.651 . 0 0 "[ ]" 1
200 1 11 THR HB 1 14 GLU H . . 3.640 3.441 3.441 3.441 . 0 0 "[ ]" 1
201 1 11 THR HB 1 83 LYS HB2 . . 3.790 3.799 3.799 3.799 0.009 1 0 "[ ]" 1
202 1 11 THR HB 1 83 LYS QB . . 3.510 3.179 3.179 3.179 . 0 0 "[ ]" 1
203 1 11 THR HB 1 83 LYS HB3 . . 3.790 3.410 3.410 3.410 . 0 0 "[ ]" 1
204 1 11 THR MG 1 12 GLU H . . 5.190 3.676 3.676 3.676 . 0 0 "[ ]" 1
205 1 11 THR MG 1 15 PHE H . . 6.530 5.280 5.280 5.280 . 0 0 "[ ]" 1
206 1 11 THR MG 1 83 LYS H . . 6.530 3.636 3.636 3.636 . 0 0 "[ ]" 1
207 1 11 THR O 1 15 PHE H . . 2.300 2.200 2.200 2.200 . 0 0 "[ ]" 1
208 1 12 GLU H 1 12 GLU HB2 . . 3.850 3.746 3.746 3.746 . 0 0 "[ ]" 1
209 1 12 GLU H 1 12 GLU QB . . 3.280 2.519 2.519 2.519 . 0 0 "[ ]" 1
210 1 12 GLU H 1 12 GLU HB3 . . 3.850 2.561 2.561 2.561 . 0 0 "[ ]" 1
211 1 12 GLU H 1 12 GLU QG . . 3.920 2.516 2.516 2.516 . 0 0 "[ ]" 1
212 1 12 GLU H 1 13 THR H . . 3.280 2.785 2.785 2.785 . 0 0 "[ ]" 1
213 1 12 GLU H 1 14 GLU H . . 4.420 4.502 4.502 4.502 0.082 1 0 "[ ]" 1
214 1 12 GLU H 1 82 PHE HB2 . . 3.790 2.767 2.767 2.767 . 0 0 "[ ]" 1
215 1 12 GLU H 1 82 PHE QB . . 3.580 2.676 2.676 2.676 . 0 0 "[ ]" 1
216 1 12 GLU H 1 82 PHE HB3 . . 3.790 3.557 3.557 3.557 . 0 0 "[ ]" 1
217 1 12 GLU H 1 82 PHE QD . . 6.750 3.643 3.643 3.643 . 0 0 "[ ]" 1
218 1 12 GLU H 1 83 LYS H . . 4.780 4.173 4.173 4.173 . 0 0 "[ ]" 1
219 1 12 GLU H 1 83 LYS QB . . 3.620 3.308 3.308 3.308 . 0 0 "[ ]" 1
220 1 12 GLU HA 1 12 GLU HB2 . . 2.890 2.340 2.340 2.340 . 0 0 "[ ]" 1
221 1 12 GLU HA 1 12 GLU HB3 . . 2.890 2.490 2.490 2.490 . 0 0 "[ ]" 1
222 1 12 GLU HA 1 12 GLU QG . . 3.920 3.495 3.495 3.495 . 0 0 "[ ]" 1
223 1 12 GLU HA 1 15 PHE H . . 3.700 3.751 3.751 3.751 0.051 1 0 "[ ]" 1
224 1 12 GLU HA 1 15 PHE QD . . 7.620 4.556 4.556 4.556 . 0 0 "[ ]" 1
225 1 12 GLU HA 1 67 ILE MD . . 6.470 4.475 4.475 4.475 . 0 0 "[ ]" 1
226 1 12 GLU HA 1 82 PHE QD . . 5.760 3.062 3.062 3.062 . 0 0 "[ ]" 1
227 1 12 GLU HA 1 82 PHE QE . . 6.450 3.300 3.300 3.300 . 0 0 "[ ]" 1
228 1 12 GLU QB 1 13 THR H . . 4.190 3.641 3.641 3.641 . 0 0 "[ ]" 1
229 1 12 GLU QB 1 82 PHE QD . . 6.850 2.407 2.407 2.407 . 0 0 "[ ]" 1
230 1 12 GLU QG 1 82 PHE HB2 . . 6.200 4.622 4.622 4.622 . 0 0 "[ ]" 1
231 1 12 GLU QG 1 82 PHE QB . . 5.790 4.413 4.413 4.413 . 0 0 "[ ]" 1
232 1 12 GLU QG 1 82 PHE HB3 . . 6.200 5.589 5.589 5.589 . 0 0 "[ ]" 1
233 1 12 GLU QG 1 82 PHE QD . . 6.580 4.198 4.198 4.198 . 0 0 "[ ]" 1
234 1 12 GLU O 1 16 LYS H . . 2.300 2.063 2.063 2.063 . 0 0 "[ ]" 1
235 1 13 THR H 1 13 THR HB . . 2.860 2.768 2.768 2.768 . 0 0 "[ ]" 1
236 1 13 THR H 1 14 GLU H . . 3.160 2.757 2.757 2.757 . 0 0 "[ ]" 1
237 1 13 THR H 1 15 PHE H . . 4.570 4.015 4.015 4.015 . 0 0 "[ ]" 1
238 1 13 THR HA 1 13 THR HB . . 3.040 3.038 3.038 3.038 . 0 0 "[ ]" 1
239 1 13 THR HA 1 13 THR MG . . 3.610 2.281 2.281 2.281 . 0 0 "[ ]" 1
240 1 13 THR HA 1 16 LYS H . . 3.490 2.918 2.918 2.918 . 0 0 "[ ]" 1
241 1 13 THR HA 1 16 LYS HB2 . . 3.070 1.985 1.985 1.985 . 0 0 "[ ]" 1
242 1 13 THR HA 1 16 LYS QB . . 2.820 1.962 1.962 1.962 . 0 0 "[ ]" 1
243 1 13 THR HA 1 16 LYS HB3 . . 3.070 3.084 3.084 3.084 0.014 1 0 "[ ]" 1
244 1 13 THR HA 1 16 LYS QD . . 4.370 3.943 3.943 3.943 . 0 0 "[ ]" 1
245 1 13 THR HB 1 14 GLU H . . 3.280 2.847 2.847 2.847 . 0 0 "[ ]" 1
246 1 13 THR MG 1 14 GLU H . . 5.750 4.082 4.082 4.082 . 0 0 "[ ]" 1
247 1 13 THR MG 1 16 LYS QE . . 7.400 3.473 3.473 3.473 . 0 0 "[ ]" 1
248 1 13 THR O 1 17 LYS H . . 2.300 2.134 2.134 2.134 . 0 0 "[ ]" 1
249 1 14 GLU H 1 14 GLU HB2 . . 3.490 2.358 2.358 2.358 . 0 0 "[ ]" 1
250 1 14 GLU H 1 14 GLU QB . . 3.100 2.325 2.325 2.325 . 0 0 "[ ]" 1
251 1 14 GLU H 1 14 GLU HB3 . . 3.490 3.533 3.533 3.533 0.043 1 0 "[ ]" 1
252 1 14 GLU H 1 14 GLU HG2 . . 3.430 3.525 3.525 3.525 0.095 1 0 "[ ]" 1
253 1 14 GLU H 1 14 GLU QG . . 2.910 2.248 2.248 2.248 . 0 0 "[ ]" 1
254 1 14 GLU H 1 14 GLU HG3 . . 3.430 2.274 2.274 2.274 . 0 0 "[ ]" 1
255 1 14 GLU H 1 15 PHE H . . 3.280 2.665 2.665 2.665 . 0 0 "[ ]" 1
256 1 14 GLU H 1 16 LYS H . . 4.030 4.098 4.098 4.098 0.068 1 0 "[ ]" 1
257 1 14 GLU HA 1 14 GLU HG2 . . 3.190 2.543 2.543 2.543 . 0 0 "[ ]" 1
258 1 14 GLU HA 1 14 GLU QG . . 2.940 2.386 2.386 2.386 . 0 0 "[ ]" 1
259 1 14 GLU HA 1 14 GLU HG3 . . 3.190 2.889 2.889 2.889 . 0 0 "[ ]" 1
260 1 14 GLU HA 1 17 LYS H . . 4.180 3.204 3.204 3.204 . 0 0 "[ ]" 1
261 1 14 GLU O 1 18 ILE H . . 2.300 2.377 2.377 2.377 0.077 1 0 "[ ]" 1
262 1 15 PHE H 1 15 PHE HB2 . . 2.770 2.336 2.336 2.336 . 0 0 "[ ]" 1
263 1 15 PHE H 1 15 PHE HB3 . . 2.770 2.789 2.789 2.789 0.019 1 0 "[ ]" 1
264 1 15 PHE H 1 16 LYS H . . 3.160 2.708 2.708 2.708 . 0 0 "[ ]" 1
265 1 15 PHE H 1 17 LYS H . . 4.420 4.447 4.447 4.447 0.027 1 0 "[ ]" 1
266 1 15 PHE H 1 82 PHE QE . . 7.230 4.988 4.988 4.988 . 0 0 "[ ]" 1
267 1 15 PHE HA 1 18 ILE H . . 3.820 3.161 3.161 3.161 . 0 0 "[ ]" 1
268 1 15 PHE HA 1 18 ILE HB . . 3.340 3.040 3.040 3.040 . 0 0 "[ ]" 1
269 1 15 PHE HA 1 18 ILE QG . . 5.810 4.998 4.998 4.998 . 0 0 "[ ]" 1
270 1 15 PHE QB 1 16 LYS H . . 3.750 2.785 2.785 2.785 . 0 0 "[ ]" 1
271 1 15 PHE QB 1 82 PHE QD . . 7.390 2.984 2.984 2.984 . 0 0 "[ ]" 1
272 1 15 PHE QB 1 82 PHE QE . . 6.130 2.673 2.673 2.673 . 0 0 "[ ]" 1
273 1 15 PHE QB 1 82 PHE HZ . . 4.970 3.520 3.520 3.520 . 0 0 "[ ]" 1
274 1 15 PHE HB2 1 16 LYS H . . 4.180 3.881 3.881 3.881 . 0 0 "[ ]" 1
275 1 15 PHE HB3 1 16 LYS H . . 4.180 2.854 2.854 2.854 . 0 0 "[ ]" 1
276 1 15 PHE QD 1 16 LYS H . . 7.020 4.495 4.495 4.495 . 0 0 "[ ]" 1
277 1 15 PHE QD 1 16 LYS HA . . 6.120 4.933 4.933 4.933 . 0 0 "[ ]" 1
278 1 15 PHE QD 1 18 ILE MD . . 8.650 3.973 3.973 3.973 . 0 0 "[ ]" 1
279 1 15 PHE QD 1 18 ILE MG . . 7.530 2.695 2.695 2.695 . 0 0 "[ ]" 1
280 1 15 PHE QD 1 19 ILE H . . 6.270 4.756 4.756 4.756 . 0 0 "[ ]" 1
281 1 15 PHE QD 1 19 ILE QG . . 8.230 2.718 2.718 2.718 . 0 0 "[ ]" 1
282 1 15 PHE QD 1 19 ILE MG . . 6.420 4.324 4.324 4.324 . 0 0 "[ ]" 1
283 1 15 PHE QD 1 38 HIS HD2 . . 7.620 4.307 4.307 4.307 . 0 0 "[ ]" 1
284 1 15 PHE QD 1 42 VAL QG . . 10.210 3.161 3.161 3.161 . 0 0 "[ ]" 1
285 1 15 PHE QD 1 67 ILE HA . . 7.620 3.183 3.183 3.183 . 0 0 "[ ]" 1
286 1 15 PHE QD 1 67 ILE MD . . 8.650 2.054 2.054 2.054 . 0 0 "[ ]" 1
287 1 15 PHE QD 1 67 ILE QG . . 7.720 2.559 2.559 2.559 . 0 0 "[ ]" 1
288 1 15 PHE QD 1 67 ILE MG . . 8.650 4.534 4.534 4.534 . 0 0 "[ ]" 1
289 1 15 PHE QD 1 82 PHE QD . . 9.470 4.161 4.161 4.161 . 0 0 "[ ]" 1
290 1 15 PHE QD 1 82 PHE QE . . 7.940 2.628 2.628 2.628 . 0 0 "[ ]" 1
291 1 15 PHE QD 1 82 PHE HZ . . 5.490 2.579 2.579 2.579 . 0 0 "[ ]" 1
292 1 15 PHE HZ 1 18 ILE MD . . 6.530 5.354 5.354 5.354 . 0 0 "[ ]" 1
293 1 15 PHE HZ 1 39 PHE HA . . 2.710 2.791 2.791 2.791 0.081 1 0 "[ ]" 1
294 1 15 PHE HZ 1 39 PHE QE . . 5.910 3.321 3.321 3.321 . 0 0 "[ ]" 1
295 1 15 PHE HZ 1 42 VAL MG1 . . 6.530 5.496 5.496 5.496 . 0 0 "[ ]" 1
296 1 15 PHE HZ 1 42 VAL QG . . 5.610 2.868 2.868 2.868 . 0 0 "[ ]" 1
297 1 15 PHE HZ 1 42 VAL MG2 . . 6.530 2.877 2.877 2.877 . 0 0 "[ ]" 1
298 1 15 PHE HZ 1 43 THR MG . . 3.520 2.806 2.806 2.806 . 0 0 "[ ]" 1
299 1 15 PHE HZ 1 70 ILE QG . . 3.890 3.386 3.386 3.386 . 0 0 "[ ]" 1
300 1 15 PHE O 1 19 ILE H . . 2.300 1.809 1.809 1.809 . 0 0 "[ ]" 1
301 1 16 LYS H 1 16 LYS HB2 . . 2.920 1.945 1.945 1.945 . 0 0 "[ ]" 1
302 1 16 LYS H 1 16 LYS QB . . 2.720 1.922 1.922 1.922 . 0 0 "[ ]" 1
303 1 16 LYS H 1 16 LYS HB3 . . 2.920 3.007 3.007 3.007 0.087 1 0 "[ ]" 1
304 1 16 LYS H 1 16 LYS QD . . 4.190 3.204 3.204 3.204 . 0 0 "[ ]" 1
305 1 16 LYS H 1 16 LYS QE . . 4.370 3.150 3.150 3.150 . 0 0 "[ ]" 1
306 1 16 LYS H 1 16 LYS HG2 . . 5.500 4.387 4.387 4.387 . 0 0 "[ ]" 1
307 1 16 LYS H 1 16 LYS QG . . 4.820 3.889 3.889 3.889 . 0 0 "[ ]" 1
308 1 16 LYS H 1 16 LYS HG3 . . 5.500 4.344 4.344 4.344 . 0 0 "[ ]" 1
309 1 16 LYS H 1 17 LYS H . . 3.340 3.172 3.172 3.172 . 0 0 "[ ]" 1
310 1 16 LYS H 1 18 ILE H . . 4.360 4.335 4.335 4.335 . 0 0 "[ ]" 1
311 1 16 LYS HA 1 16 LYS HD2 . . 3.490 3.571 3.571 3.571 0.081 1 0 "[ ]" 1
312 1 16 LYS HA 1 16 LYS QD . . 2.960 2.301 2.301 2.301 . 0 0 "[ ]" 1
313 1 16 LYS HA 1 16 LYS HD3 . . 3.490 2.330 2.330 2.330 . 0 0 "[ ]" 1
314 1 16 LYS HA 1 16 LYS QG . . 3.420 2.525 2.525 2.525 . 0 0 "[ ]" 1
315 1 16 LYS HA 1 19 ILE H . . 3.250 3.342 3.342 3.342 0.092 1 0 "[ ]" 1
316 1 16 LYS HA 1 19 ILE HB . . 3.010 2.205 2.205 2.205 . 0 0 "[ ]" 1
317 1 16 LYS HA 1 19 ILE MG . . 4.050 3.369 3.369 3.369 . 0 0 "[ ]" 1
318 1 16 LYS HA 1 20 GLU H . . 3.730 3.399 3.399 3.399 . 0 0 "[ ]" 1
319 1 16 LYS HA 1 20 GLU HB2 . . 3.640 3.727 3.727 3.727 0.087 1 0 "[ ]" 1
320 1 16 LYS QB 1 17 LYS H . . 3.920 2.477 2.477 2.477 . 0 0 "[ ]" 1
321 1 16 LYS HB2 1 17 LYS H . . 4.330 3.414 3.414 3.414 . 0 0 "[ ]" 1
322 1 16 LYS HB3 1 17 LYS H . . 4.330 2.542 2.542 2.542 . 0 0 "[ ]" 1
323 1 16 LYS QD 1 17 LYS H . . 5.900 5.070 5.070 5.070 . 0 0 "[ ]" 1
324 1 16 LYS O 1 20 GLU H . . 2.300 1.692 1.692 1.692 . 0 0 "[ ]" 1
325 1 17 LYS H 1 17 LYS HA . . 2.890 2.718 2.718 2.718 . 0 0 "[ ]" 1
326 1 17 LYS H 1 17 LYS HB2 . . 2.890 2.156 2.156 2.156 . 0 0 "[ ]" 1
327 1 17 LYS H 1 17 LYS HB3 . . 2.890 2.836 2.836 2.836 . 0 0 "[ ]" 1
328 1 17 LYS H 1 17 LYS QD . . 5.330 4.762 4.762 4.762 . 0 0 "[ ]" 1
329 1 17 LYS H 1 17 LYS QE . . 6.380 4.960 4.960 4.960 . 0 0 "[ ]" 1
330 1 17 LYS H 1 17 LYS QG . . 4.010 3.729 3.729 3.729 . 0 0 "[ ]" 1
331 1 17 LYS H 1 18 ILE H . . 3.280 2.999 2.999 2.999 . 0 0 "[ ]" 1
332 1 17 LYS HA 1 17 LYS QG . . 3.980 2.096 2.096 2.096 . 0 0 "[ ]" 1
333 1 17 LYS HA 1 20 GLU H . . 3.790 3.445 3.445 3.445 . 0 0 "[ ]" 1
334 1 17 LYS HA 1 20 GLU HB2 . . 3.190 3.138 3.138 3.138 . 0 0 "[ ]" 1
335 1 17 LYS HA 1 20 GLU HB3 . . 4.090 2.571 2.571 2.571 . 0 0 "[ ]" 1
336 1 17 LYS HA 1 21 ASP H . . 3.850 3.631 3.631 3.631 . 0 0 "[ ]" 1
337 1 17 LYS QB 1 18 ILE H . . 3.590 2.931 2.931 2.931 . 0 0 "[ ]" 1
338 1 17 LYS HB2 1 18 ILE H . . 4.000 3.977 3.977 3.977 . 0 0 "[ ]" 1
339 1 17 LYS HB3 1 18 ILE H . . 4.000 3.017 3.017 3.017 . 0 0 "[ ]" 1
340 1 17 LYS O 1 21 ASP H . . 2.300 2.064 2.064 2.064 . 0 0 "[ ]" 1
341 1 18 ILE H 1 18 ILE HB . . 2.740 2.196 2.196 2.196 . 0 0 "[ ]" 1
342 1 18 ILE H 1 18 ILE HG12 . . 5.500 4.452 4.452 4.452 . 0 0 "[ ]" 1
343 1 18 ILE H 1 18 ILE HG13 . . 5.500 3.976 3.976 3.976 . 0 0 "[ ]" 1
344 1 18 ILE HA 1 18 ILE MD . . 4.080 3.575 3.575 3.575 . 0 0 "[ ]" 1
345 1 18 ILE HA 1 18 ILE HG12 . . 3.040 2.190 2.190 2.190 . 0 0 "[ ]" 1
346 1 18 ILE HA 1 18 ILE QG . . 2.830 1.997 1.997 1.997 . 0 0 "[ ]" 1
347 1 18 ILE HA 1 18 ILE HG13 . . 3.040 2.305 2.305 2.305 . 0 0 "[ ]" 1
348 1 18 ILE HA 1 21 ASP H . . 3.550 3.413 3.413 3.413 . 0 0 "[ ]" 1
349 1 18 ILE HA 1 21 ASP HB2 . . 3.550 2.346 2.346 2.346 . 0 0 "[ ]" 1
350 1 18 ILE HA 1 21 ASP QB . . 3.200 2.269 2.269 2.269 . 0 0 "[ ]" 1
351 1 18 ILE HA 1 21 ASP HB3 . . 3.550 3.015 3.015 3.015 . 0 0 "[ ]" 1
352 1 18 ILE HB 1 18 ILE MD . . 3.580 2.659 2.659 2.659 . 0 0 "[ ]" 1
353 1 18 ILE HB 1 18 ILE QG . . 2.640 2.316 2.316 2.316 . 0 0 "[ ]" 1
354 1 18 ILE HB 1 19 ILE H . . 3.250 3.345 3.345 3.345 0.095 1 0 "[ ]" 1
355 1 18 ILE MD 1 19 ILE H . . 6.500 4.715 4.715 4.715 . 0 0 "[ ]" 1
356 1 18 ILE MD 1 19 ILE HA . . 6.280 5.187 5.187 5.187 . 0 0 "[ ]" 1
357 1 18 ILE MD 1 22 ILE MD . . 7.000 4.378 4.378 4.378 . 0 0 "[ ]" 1
358 1 18 ILE MD 1 35 ASN QB . . 7.410 3.165 3.165 3.165 . 0 0 "[ ]" 1
359 1 18 ILE MD 1 38 HIS HD2 . . 4.980 2.097 2.097 2.097 . 0 0 "[ ]" 1
360 1 18 ILE MD 1 39 PHE H . . 6.530 3.818 3.818 3.818 . 0 0 "[ ]" 1
361 1 18 ILE MD 1 39 PHE QB . . 5.520 3.677 3.677 3.677 . 0 0 "[ ]" 1
362 1 18 ILE QG 1 38 HIS HD2 . . 5.600 4.236 4.236 4.236 . 0 0 "[ ]" 1
363 1 18 ILE MG 1 19 ILE HA . . 5.540 3.114 3.114 3.114 . 0 0 "[ ]" 1
364 1 18 ILE MG 1 38 HIS HD2 . . 4.020 3.074 3.074 3.074 . 0 0 "[ ]" 1
365 1 18 ILE O 1 22 ILE H . . 2.300 2.361 2.361 2.361 0.061 1 0 "[ ]" 1
366 1 19 ILE H 1 19 ILE HB . . 2.830 2.286 2.286 2.286 . 0 0 "[ ]" 1
367 1 19 ILE H 1 19 ILE MD . . 4.570 3.202 3.202 3.202 . 0 0 "[ ]" 1
368 1 19 ILE H 1 19 ILE QG . . 3.590 2.361 2.361 2.361 . 0 0 "[ ]" 1
369 1 19 ILE H 1 20 GLU H . . 3.190 2.778 2.778 2.778 . 0 0 "[ ]" 1
370 1 19 ILE H 1 22 ILE MG . . 6.530 5.282 5.282 5.282 . 0 0 "[ ]" 1
371 1 19 ILE HA 1 19 ILE MD . . 3.710 2.057 2.057 2.057 . 0 0 "[ ]" 1
372 1 19 ILE HA 1 22 ILE H . . 4.630 3.845 3.845 3.845 . 0 0 "[ ]" 1
373 1 19 ILE HA 1 22 ILE MD . . 3.920 2.051 2.051 2.051 . 0 0 "[ ]" 1
374 1 19 ILE HA 1 39 PHE QD . . 7.620 5.241 5.241 5.241 . 0 0 "[ ]" 1
375 1 19 ILE HA 1 52 ILE MD . . 6.530 3.587 3.587 3.587 . 0 0 "[ ]" 1
376 1 19 ILE HB 1 20 GLU H . . 3.040 2.899 2.899 2.899 . 0 0 "[ ]" 1
377 1 19 ILE MD 1 39 PHE QE . . 8.120 2.412 2.412 2.412 . 0 0 "[ ]" 1
378 1 19 ILE MG 1 39 PHE QE . . 5.830 4.102 4.102 4.102 . 0 0 "[ ]" 1
379 1 19 ILE MG 1 39 PHE HZ . . 6.530 4.693 4.693 4.693 . 0 0 "[ ]" 1
380 1 19 ILE O 1 23 ILE H . . 2.300 2.390 2.390 2.390 0.090 1 0 "[ ]" 1
381 1 20 GLU H 1 20 GLU HB2 . . 2.740 1.982 1.982 1.982 . 0 0 "[ ]" 1
382 1 20 GLU H 1 20 GLU HB3 . . 3.220 2.526 2.526 2.526 . 0 0 "[ ]" 1
383 1 20 GLU H 1 20 GLU QG . . 3.890 3.624 3.624 3.624 . 0 0 "[ ]" 1
384 1 20 GLU H 1 21 ASP H . . 3.550 2.441 2.441 2.441 . 0 0 "[ ]" 1
385 1 20 GLU HA 1 20 GLU HB2 . . 2.560 2.635 2.635 2.635 0.075 1 0 "[ ]" 1
386 1 20 GLU HA 1 20 GLU HB3 . . 2.980 3.040 3.040 3.040 0.060 1 0 "[ ]" 1
387 1 20 GLU HA 1 20 GLU QG . . 3.800 2.263 2.263 2.263 . 0 0 "[ ]" 1
388 1 20 GLU HA 1 23 ILE H . . 3.490 3.568 3.568 3.568 0.078 1 0 "[ ]" 1
389 1 20 GLU HA 1 23 ILE HB . . 2.980 2.413 2.413 2.413 . 0 0 "[ ]" 1
390 1 20 GLU HB2 1 21 ASP H . . 3.400 3.482 3.482 3.482 0.082 1 0 "[ ]" 1
391 1 20 GLU HB2 1 24 ASN QD . . 4.540 4.169 4.169 4.169 . 0 0 "[ ]" 1
392 1 20 GLU HB3 1 21 ASP H . . 3.430 2.480 2.480 2.480 . 0 0 "[ ]" 1
393 1 20 GLU HB3 1 24 ASN QD . . 4.300 3.261 3.261 3.261 . 0 0 "[ ]" 1
394 1 21 ASP H 1 21 ASP HB2 . . 3.850 2.407 2.407 2.407 . 0 0 "[ ]" 1
395 1 21 ASP H 1 21 ASP QB . . 3.250 2.312 2.312 2.312 . 0 0 "[ ]" 1
396 1 21 ASP H 1 21 ASP HB3 . . 3.850 2.988 2.988 2.988 . 0 0 "[ ]" 1
397 1 21 ASP H 1 22 ILE H . . 3.010 2.895 2.895 2.895 . 0 0 "[ ]" 1
398 1 21 ASP HA 1 24 ASN H . . 4.840 4.273 4.273 4.273 . 0 0 "[ ]" 1
399 1 21 ASP HA 1 26 GLU H . . 3.910 3.317 3.317 3.317 . 0 0 "[ ]" 1
400 1 22 ILE H 1 22 ILE QG . . 4.340 1.826 1.826 1.826 . 0 0 "[ ]" 1
401 1 22 ILE H 1 23 ILE H . . 2.950 2.812 2.812 2.812 . 0 0 "[ ]" 1
402 1 22 ILE HA 1 22 ILE HB . . 2.830 2.499 2.499 2.499 . 0 0 "[ ]" 1
403 1 22 ILE HA 1 25 CYS H . . 3.700 3.538 3.538 3.538 . 0 0 "[ ]" 1
404 1 22 ILE HB 1 22 ILE MD . . 3.430 2.624 2.624 2.624 . 0 0 "[ ]" 1
405 1 22 ILE HB 1 23 ILE H . . 2.920 3.025 3.025 3.025 0.105 1 0 "[ ]" 1
406 1 22 ILE MD 1 35 ASN QB . . 6.230 3.453 3.453 3.453 . 0 0 "[ ]" 1
407 1 22 ILE MD 1 36 LEU HA . . 5.880 4.241 4.241 4.241 . 0 0 "[ ]" 1
408 1 22 ILE MD 1 36 LEU MD1 . . 7.560 4.006 4.006 4.006 . 0 0 "[ ]" 1
409 1 22 ILE MD 1 36 LEU MD2 . . 7.560 2.832 2.832 2.832 . 0 0 "[ ]" 1
410 1 22 ILE MD 1 39 PHE H . . 6.530 5.312 5.312 5.312 . 0 0 "[ ]" 1
411 1 22 ILE MD 1 39 PHE HB2 . . 5.540 3.658 3.658 3.658 . 0 0 "[ ]" 1
412 1 22 ILE MD 1 39 PHE QB . . 4.680 3.488 3.488 3.488 . 0 0 "[ ]" 1
413 1 22 ILE MD 1 39 PHE HB3 . . 5.540 4.398 4.398 4.398 . 0 0 "[ ]" 1
414 1 22 ILE MD 1 39 PHE QD . . 8.650 3.926 3.926 3.926 . 0 0 "[ ]" 1
415 1 22 ILE MD 1 39 PHE QE . . 8.650 4.256 4.256 4.256 . 0 0 "[ ]" 1
416 1 22 ILE MD 1 52 ILE MD . . 6.810 1.888 1.888 1.888 . 0 0 "[ ]" 1
417 1 22 ILE QG 1 35 ASN QB . . 5.490 4.381 4.381 4.381 . 0 0 "[ ]" 1
418 1 22 ILE MG 1 36 LEU HA . . 6.530 4.437 4.437 4.437 . 0 0 "[ ]" 1
419 1 22 ILE MG 1 39 PHE QE . . 8.650 6.296 6.296 6.296 . 0 0 "[ ]" 1
420 1 22 ILE MG 1 53 TYR QE . . 8.630 5.644 5.644 5.644 . 0 0 "[ ]" 1
421 1 23 ILE H 1 23 ILE HA . . 2.920 2.784 2.784 2.784 . 0 0 "[ ]" 1
422 1 23 ILE H 1 23 ILE HB . . 2.680 2.506 2.506 2.506 . 0 0 "[ ]" 1
423 1 23 ILE H 1 23 ILE MD . . 5.100 3.534 3.534 3.534 . 0 0 "[ ]" 1
424 1 23 ILE H 1 23 ILE QG . . 3.770 2.204 2.204 2.204 . 0 0 "[ ]" 1
425 1 23 ILE H 1 24 ASN H . . 3.160 3.231 3.231 3.231 0.071 1 0 "[ ]" 1
426 1 23 ILE HA 1 23 ILE MD . . 4.670 3.830 3.830 3.830 . 0 0 "[ ]" 1
427 1 23 ILE HA 1 52 ILE MG . . 6.530 4.457 4.457 4.457 . 0 0 "[ ]" 1
428 1 23 ILE HB 1 24 ASN H . . 3.010 3.074 3.074 3.074 0.064 1 0 "[ ]" 1
429 1 23 ILE QG 1 52 ILE MG . . 7.400 3.231 3.231 3.231 . 0 0 "[ ]" 1
430 1 23 ILE MG 1 24 ASN H . . 6.530 3.470 3.470 3.470 . 0 0 "[ ]" 1
431 1 23 ILE MG 1 52 ILE MG . . 7.560 5.056 5.056 5.056 . 0 0 "[ ]" 1
432 1 24 ASN H 1 24 ASN HB2 . . 3.010 1.879 1.879 1.879 . 0 0 "[ ]" 1
433 1 24 ASN H 1 24 ASN QB . . 2.710 1.864 1.864 1.864 . 0 0 "[ ]" 1
434 1 24 ASN H 1 24 ASN HB3 . . 3.010 3.120 3.120 3.120 0.110 1 0 "[ ]" 1
435 1 24 ASN H 1 25 CYS H . . 3.010 2.261 2.261 2.261 . 0 0 "[ ]" 1
436 1 24 ASN QB 1 24 ASN QD . . 3.080 2.003 2.003 2.003 . 0 0 "[ ]" 1
437 1 24 ASN HB2 1 24 ASN HD22 . . 3.730 3.382 3.382 3.382 . 0 0 "[ ]" 1
438 1 24 ASN HB3 1 24 ASN HD22 . . 3.730 3.820 3.820 3.820 0.090 1 0 "[ ]" 1
439 1 24 ASN QD 1 25 CYS H . . 4.480 3.778 3.778 3.778 . 0 0 "[ ]" 1
440 1 25 CYS H 1 25 CYS HA . . 2.860 2.271 2.271 2.271 . 0 0 "[ ]" 1
441 1 25 CYS H 1 25 CYS QB . . 3.870 3.232 3.232 3.232 . 0 0 "[ ]" 1
442 1 25 CYS H 1 26 GLU H . . 3.040 2.534 2.534 2.534 . 0 0 "[ ]" 1
443 1 25 CYS HA 1 26 GLU H . . 2.950 2.446 2.446 2.446 . 0 0 "[ ]" 1
444 1 25 CYS QB 1 32 GLN QE . . 5.770 2.434 2.434 2.434 . 0 0 "[ ]" 1
445 1 26 GLU H 1 26 GLU HA . . 2.650 2.745 2.745 2.745 0.095 1 0 "[ ]" 1
446 1 26 GLU H 1 26 GLU HB2 . . 2.890 2.239 2.239 2.239 . 0 0 "[ ]" 1
447 1 26 GLU H 1 26 GLU HB3 . . 2.890 2.383 2.383 2.383 . 0 0 "[ ]" 1
448 1 26 GLU H 1 26 GLU QG . . 4.070 3.780 3.780 3.780 . 0 0 "[ ]" 1
449 1 26 GLU HA 1 27 GLY H . . 2.530 2.600 2.600 2.600 0.070 1 0 "[ ]" 1
450 1 26 GLU QG 1 27 GLY H . . 4.640 4.180 4.180 4.180 . 0 0 "[ ]" 1
451 1 27 GLY H 1 28 ASP H . . 5.050 4.260 4.260 4.260 . 0 0 "[ ]" 1
452 1 27 GLY QA 1 28 ASP H . . 3.120 2.119 2.119 2.119 . 0 0 "[ ]" 1
453 1 28 ASP H 1 28 ASP HB2 . . 3.250 3.174 3.174 3.174 . 0 0 "[ ]" 1
454 1 28 ASP H 1 28 ASP QB . . 2.980 2.452 2.452 2.452 . 0 0 "[ ]" 1
455 1 28 ASP H 1 28 ASP HB3 . . 3.250 2.552 2.552 2.552 . 0 0 "[ ]" 1
456 1 28 ASP H 1 29 GLU H . . 3.700 2.486 2.486 2.486 . 0 0 "[ ]" 1
457 1 28 ASP H 1 31 LYS H . . 5.500 2.695 2.695 2.695 . 0 0 "[ ]" 1
458 1 28 ASP H 1 31 LYS HB2 . . 3.370 2.319 2.319 2.319 . 0 0 "[ ]" 1
459 1 28 ASP H 1 31 LYS QB . . 3.120 2.212 2.212 2.212 . 0 0 "[ ]" 1
460 1 28 ASP H 1 31 LYS HB3 . . 3.370 2.791 2.791 2.791 . 0 0 "[ ]" 1
461 1 28 ASP HA 1 29 GLU H . . 2.860 2.898 2.898 2.898 0.038 1 0 "[ ]" 1
462 1 28 ASP QB 1 29 GLU H . . 4.220 3.861 3.861 3.861 . 0 0 "[ ]" 1
463 1 29 GLU H 1 29 GLU QB . . 3.800 3.526 3.526 3.526 . 0 0 "[ ]" 1
464 1 29 GLU H 1 29 GLU QG . . 3.920 3.128 3.128 3.128 . 0 0 "[ ]" 1
465 1 29 GLU H 1 30 LYS H . . 3.070 3.169 3.169 3.169 0.099 1 0 "[ ]" 1
466 1 29 GLU H 1 31 LYS H . . 4.240 3.630 3.630 3.630 . 0 0 "[ ]" 1
467 1 29 GLU HA 1 32 GLN H . . 3.940 3.281 3.281 3.281 . 0 0 "[ ]" 1
468 1 29 GLU HA 1 32 GLN QB . . 5.030 3.219 3.219 3.219 . 0 0 "[ ]" 1
469 1 29 GLU HA 1 32 GLN HE21 . . 4.960 4.977 4.977 4.977 0.017 1 0 "[ ]" 1
470 1 29 GLU HA 1 32 GLN QE . . 4.780 4.383 4.383 4.383 . 0 0 "[ ]" 1
471 1 29 GLU HA 1 32 GLN HE22 . . 4.960 4.866 4.866 4.866 . 0 0 "[ ]" 1
472 1 29 GLU HA 1 33 ASP H . . 4.030 4.127 4.127 4.127 0.097 1 0 "[ ]" 1
473 1 29 GLU QB 1 30 LYS H . . 4.160 2.213 2.213 2.213 . 0 0 "[ ]" 1
474 1 29 GLU QG 1 30 LYS H . . 5.930 3.647 3.647 3.647 . 0 0 "[ ]" 1
475 1 30 LYS H 1 30 LYS HA . . 2.740 2.792 2.792 2.792 0.052 1 0 "[ ]" 1
476 1 30 LYS H 1 30 LYS QE . . 4.730 4.080 4.080 4.080 . 0 0 "[ ]" 1
477 1 30 LYS H 1 30 LYS HG2 . . 3.010 3.106 3.106 3.106 0.096 1 0 "[ ]" 1
478 1 30 LYS H 1 30 LYS QG . . 2.710 1.804 1.804 1.804 . 0 0 "[ ]" 1
479 1 30 LYS H 1 30 LYS HG3 . . 3.010 1.816 1.816 1.816 . 0 0 "[ ]" 1
480 1 30 LYS H 1 31 LYS H . . 2.830 2.744 2.744 2.744 . 0 0 "[ ]" 1
481 1 30 LYS H 1 32 GLN H . . 5.320 3.945 3.945 3.945 . 0 0 "[ ]" 1
482 1 30 LYS HA 1 30 LYS QG . . 3.380 2.432 2.432 2.432 . 0 0 "[ ]" 1
483 1 30 LYS HA 1 31 LYS H . . 3.400 3.485 3.485 3.485 0.085 1 0 "[ ]" 1
484 1 30 LYS HA 1 33 ASP H . . 3.070 3.144 3.144 3.144 0.074 1 0 "[ ]" 1
485 1 30 LYS HA 1 34 ASP H . . 3.880 3.873 3.873 3.873 . 0 0 "[ ]" 1
486 1 30 LYS QB 1 31 LYS H . . 3.210 2.485 2.485 2.485 . 0 0 "[ ]" 1
487 1 30 LYS HB2 1 31 LYS H . . 3.520 2.533 2.533 2.533 . 0 0 "[ ]" 1
488 1 30 LYS HB3 1 31 LYS H . . 3.520 3.602 3.602 3.602 0.082 1 0 "[ ]" 1
489 1 31 LYS H 1 31 LYS HA . . 2.680 2.763 2.763 2.763 0.083 1 0 "[ ]" 1
490 1 31 LYS H 1 31 LYS HB2 . . 2.620 1.963 1.963 1.963 . 0 0 "[ ]" 1
491 1 31 LYS H 1 31 LYS QB . . 2.410 1.919 1.919 1.919 . 0 0 "[ ]" 1
492 1 31 LYS H 1 31 LYS HB3 . . 2.620 2.706 2.706 2.706 0.086 1 0 "[ ]" 1
493 1 31 LYS H 1 31 LYS HG2 . . 4.180 3.873 3.873 3.873 . 0 0 "[ ]" 1
494 1 31 LYS H 1 31 LYS QG . . 3.880 3.587 3.587 3.587 . 0 0 "[ ]" 1
495 1 31 LYS H 1 31 LYS HG3 . . 4.180 4.238 4.238 4.238 0.058 1 0 "[ ]" 1
496 1 31 LYS H 1 32 GLN H . . 2.860 2.805 2.805 2.805 . 0 0 "[ ]" 1
497 1 31 LYS HA 1 31 LYS QG . . 3.770 2.466 2.466 2.466 . 0 0 "[ ]" 1
498 1 31 LYS HA 1 34 ASP H . . 3.430 3.444 3.444 3.444 0.014 1 0 "[ ]" 1
499 1 31 LYS HA 1 34 ASP HB2 . . 3.580 3.526 3.526 3.526 . 0 0 "[ ]" 1
500 1 31 LYS HA 1 34 ASP QB . . 3.260 2.393 2.393 2.393 . 0 0 "[ ]" 1
501 1 31 LYS HA 1 34 ASP HB3 . . 3.580 2.434 2.434 2.434 . 0 0 "[ ]" 1
502 1 31 LYS QB 1 32 GLN H . . 4.310 2.711 2.711 2.711 . 0 0 "[ ]" 1
503 1 31 LYS QG 1 32 GLN H . . 6.380 4.635 4.635 4.635 . 0 0 "[ ]" 1
504 1 32 GLN H 1 32 GLN HG2 . . 2.950 3.028 3.028 3.028 0.078 1 0 "[ ]" 1
505 1 32 GLN H 1 32 GLN HG3 . . 2.950 2.181 2.181 2.181 . 0 0 "[ ]" 1
506 1 32 GLN H 1 33 ASP H . . 3.220 2.620 2.620 2.620 . 0 0 "[ ]" 1
507 1 32 GLN H 1 33 ASP QB . . 5.180 4.361 4.361 4.361 . 0 0 "[ ]" 1
508 1 32 GLN H 1 34 ASP H . . 4.390 4.141 4.141 4.141 . 0 0 "[ ]" 1
509 1 32 GLN HA 1 33 ASP H . . 3.580 3.615 3.615 3.615 0.035 1 0 "[ ]" 1
510 1 32 GLN HA 1 35 ASN H . . 4.090 3.364 3.364 3.364 . 0 0 "[ ]" 1
511 1 32 GLN HA 1 35 ASN HB2 . . 3.610 3.679 3.679 3.679 0.069 1 0 "[ ]" 1
512 1 32 GLN HA 1 35 ASN QB . . 3.290 2.359 2.359 2.359 . 0 0 "[ ]" 1
513 1 32 GLN HA 1 35 ASN HB3 . . 3.610 2.388 2.388 2.388 . 0 0 "[ ]" 1
514 1 32 GLN HA 1 36 LEU H . . 5.500 4.034 4.034 4.034 . 0 0 "[ ]" 1
515 1 32 GLN QB 1 33 ASP H . . 4.370 2.480 2.480 2.480 . 0 0 "[ ]" 1
516 1 32 GLN QG 1 33 ASP H . . 4.580 3.740 3.740 3.740 . 0 0 "[ ]" 1
517 1 32 GLN HG2 1 33 ASP H . . 5.440 4.781 4.781 4.781 . 0 0 "[ ]" 1
518 1 32 GLN HG3 1 33 ASP H . . 5.440 3.906 3.906 3.906 . 0 0 "[ ]" 1
519 1 33 ASP H 1 33 ASP HA . . 2.890 2.844 2.844 2.844 . 0 0 "[ ]" 1
520 1 33 ASP H 1 33 ASP HB2 . . 2.980 2.322 2.322 2.322 . 0 0 "[ ]" 1
521 1 33 ASP H 1 33 ASP QB . . 2.680 2.227 2.227 2.227 . 0 0 "[ ]" 1
522 1 33 ASP H 1 33 ASP HB3 . . 2.980 2.861 2.861 2.861 . 0 0 "[ ]" 1
523 1 33 ASP H 1 34 ASP H . . 3.070 2.901 2.901 2.901 . 0 0 "[ ]" 1
524 1 33 ASP H 1 35 ASN H . . 5.500 4.378 4.378 4.378 . 0 0 "[ ]" 1
525 1 33 ASP HA 1 34 ASP H . . 3.430 3.508 3.508 3.508 0.078 1 0 "[ ]" 1
526 1 33 ASP HA 1 36 LEU H . . 3.670 3.061 3.061 3.061 . 0 0 "[ ]" 1
527 1 33 ASP HA 1 36 LEU HB2 . . 3.220 2.035 2.035 2.035 . 0 0 "[ ]" 1
528 1 33 ASP HA 1 36 LEU QB . . 3.010 2.017 2.017 2.017 . 0 0 "[ ]" 1
529 1 33 ASP HA 1 36 LEU HB3 . . 3.220 3.313 3.313 3.313 0.093 1 0 "[ ]" 1
530 1 33 ASP HA 1 36 LEU MD1 . . 6.530 2.724 2.724 2.724 . 0 0 "[ ]" 1
531 1 33 ASP HA 1 36 LEU MD2 . . 6.530 4.773 4.773 4.773 . 0 0 "[ ]" 1
532 1 33 ASP QB 1 34 ASP H . . 4.370 2.361 2.361 2.361 . 0 0 "[ ]" 1
533 1 33 ASP QB 1 34 ASP HA . . 4.670 3.929 3.929 3.929 . 0 0 "[ ]" 1
534 1 34 ASP H 1 34 ASP HA . . 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 1
535 1 34 ASP H 1 34 ASP HB2 . . 3.250 2.639 2.639 2.639 . 0 0 "[ ]" 1
536 1 34 ASP H 1 34 ASP QB . . 2.800 2.238 2.238 2.238 . 0 0 "[ ]" 1
537 1 34 ASP H 1 34 ASP HB3 . . 3.250 2.419 2.419 2.419 . 0 0 "[ ]" 1
538 1 34 ASP H 1 35 ASN H . . 2.860 2.770 2.770 2.770 . 0 0 "[ ]" 1
539 1 34 ASP HA 1 37 GLU H . . 3.880 3.791 3.791 3.791 . 0 0 "[ ]" 1
540 1 34 ASP HA 1 37 GLU QB . . 3.950 3.301 3.301 3.301 . 0 0 "[ ]" 1
541 1 34 ASP HA 1 38 HIS H . . 4.660 4.523 4.523 4.523 . 0 0 "[ ]" 1
542 1 34 ASP QB 1 35 ASN H . . 3.400 2.578 2.578 2.578 . 0 0 "[ ]" 1
543 1 34 ASP HB2 1 35 ASN H . . 3.880 3.945 3.945 3.945 0.065 1 0 "[ ]" 1
544 1 34 ASP HB3 1 35 ASN H . . 3.880 2.613 2.613 2.613 . 0 0 "[ ]" 1
545 1 35 ASN H 1 35 ASN HB2 . . 3.550 2.964 2.964 2.964 . 0 0 "[ ]" 1
546 1 35 ASN H 1 35 ASN QB . . 3.190 2.287 2.287 2.287 . 0 0 "[ ]" 1
547 1 35 ASN H 1 35 ASN HB3 . . 3.550 2.379 2.379 2.379 . 0 0 "[ ]" 1
548 1 35 ASN H 1 36 LEU H . . 3.010 2.744 2.744 2.744 . 0 0 "[ ]" 1
549 1 35 ASN HA 1 38 HIS H . . 3.490 3.443 3.443 3.443 . 0 0 "[ ]" 1
550 1 35 ASN HA 1 38 HIS HB2 . . 3.430 3.212 3.212 3.212 . 0 0 "[ ]" 1
551 1 35 ASN HA 1 38 HIS QB . . 3.210 2.478 2.478 2.478 . 0 0 "[ ]" 1
552 1 35 ASN HA 1 38 HIS HB3 . . 3.430 2.578 2.578 2.578 . 0 0 "[ ]" 1
553 1 35 ASN HA 1 38 HIS HD2 . . 4.930 4.666 4.666 4.666 . 0 0 "[ ]" 1
554 1 35 ASN HA 1 39 PHE H . . 3.700 3.788 3.788 3.788 0.088 1 0 "[ ]" 1
555 1 35 ASN QB 1 36 LEU H . . 3.740 2.837 2.837 2.837 . 0 0 "[ ]" 1
556 1 35 ASN HB2 1 36 LEU H . . 4.180 4.192 4.192 4.192 0.012 1 0 "[ ]" 1
557 1 35 ASN HB3 1 36 LEU H . . 4.180 2.885 2.885 2.885 . 0 0 "[ ]" 1
558 1 35 ASN QD 1 39 PHE QB . . 5.320 2.276 2.276 2.276 . 0 0 "[ ]" 1
559 1 35 ASN QD 1 49 SER HA . . 5.950 5.394 5.394 5.394 . 0 0 "[ ]" 1
560 1 35 ASN QD 1 52 ILE MD . . 7.400 3.356 3.356 3.356 . 0 0 "[ ]" 1
561 1 35 ASN O 1 39 PHE H . . 2.300 1.688 1.688 1.688 . 0 0 "[ ]" 1
562 1 36 LEU H 1 36 LEU HA . . 2.740 2.760 2.760 2.760 0.020 1 0 "[ ]" 1
563 1 36 LEU H 1 36 LEU HB2 . . 3.220 1.986 1.986 1.986 . 0 0 "[ ]" 1
564 1 36 LEU H 1 36 LEU QB . . 2.920 1.970 1.970 1.970 . 0 0 "[ ]" 1
565 1 36 LEU H 1 36 LEU HB3 . . 3.220 3.300 3.300 3.300 0.080 1 0 "[ ]" 1
566 1 36 LEU H 1 36 LEU HG . . 2.770 2.843 2.843 2.843 0.073 1 0 "[ ]" 1
567 1 36 LEU H 1 37 GLU H . . 3.100 2.652 2.652 2.652 . 0 0 "[ ]" 1
568 1 36 LEU H 1 37 GLU QB . . 6.380 4.390 4.390 4.390 . 0 0 "[ ]" 1
569 1 36 LEU HA 1 37 GLU H . . 3.280 3.370 3.370 3.370 0.090 1 0 "[ ]" 1
570 1 36 LEU HA 1 39 PHE H . . 3.430 3.081 3.081 3.081 . 0 0 "[ ]" 1
571 1 36 LEU HA 1 39 PHE QB . . 3.920 2.123 2.123 2.123 . 0 0 "[ ]" 1
572 1 36 LEU HA 1 39 PHE QD . . 5.880 3.343 3.343 3.343 . 0 0 "[ ]" 1
573 1 36 LEU QB 1 36 LEU HG . . 2.640 2.311 2.311 2.311 . 0 0 "[ ]" 1
574 1 36 LEU QB 1 37 GLU H . . 3.060 2.856 2.856 2.856 . 0 0 "[ ]" 1
575 1 36 LEU QB 1 40 ILE MD . . 7.410 3.690 3.690 3.690 . 0 0 "[ ]" 1
576 1 36 LEU QB 1 52 ILE MD . . 7.410 5.458 5.458 5.458 . 0 0 "[ ]" 1
577 1 36 LEU QB 1 52 ILE MG . . 7.410 5.452 5.452 5.452 . 0 0 "[ ]" 1
578 1 36 LEU QB 1 53 TYR QE . . 8.390 4.634 4.634 4.634 . 0 0 "[ ]" 1
579 1 36 LEU HB2 1 37 GLU H . . 3.340 3.087 3.087 3.087 . 0 0 "[ ]" 1
580 1 36 LEU HB3 1 37 GLU H . . 3.340 3.365 3.365 3.365 0.025 1 0 "[ ]" 1
581 1 36 LEU QD 1 39 PHE H . . 8.100 4.246 4.246 4.246 . 0 0 "[ ]" 1
582 1 36 LEU QD 1 39 PHE QB . . 8.980 2.522 2.522 2.522 . 0 0 "[ ]" 1
583 1 36 LEU QD 1 49 SER H . . 6.580 2.960 2.960 2.960 . 0 0 "[ ]" 1
584 1 36 LEU QD 1 49 SER QB . . 5.540 2.079 2.079 2.079 . 0 0 "[ ]" 1
585 1 36 LEU QD 1 52 ILE MG . . 9.130 2.616 2.616 2.616 . 0 0 "[ ]" 1
586 1 36 LEU MD1 1 37 GLU H . . 6.530 4.879 4.879 4.879 . 0 0 "[ ]" 1
587 1 36 LEU MD1 1 49 SER HA . . 6.530 4.177 4.177 4.177 . 0 0 "[ ]" 1
588 1 36 LEU MD1 1 49 SER HB2 . . 7.470 3.582 3.582 3.582 . 0 0 "[ ]" 1
589 1 36 LEU MD1 1 49 SER HB3 . . 7.470 2.567 2.567 2.567 . 0 0 "[ ]" 1
590 1 36 LEU MD1 1 52 ILE MD . . 7.560 4.228 4.228 4.228 . 0 0 "[ ]" 1
591 1 36 LEU MD1 1 53 TYR QD . . 8.670 3.727 3.727 3.727 . 0 0 "[ ]" 1
592 1 36 LEU MD1 1 53 TYR QE . . 7.820 2.312 2.312 2.312 . 0 0 "[ ]" 1
593 1 36 LEU MD2 1 37 GLU H . . 6.530 4.652 4.652 4.652 . 0 0 "[ ]" 1
594 1 36 LEU MD2 1 49 SER HA . . 6.530 2.667 2.667 2.667 . 0 0 "[ ]" 1
595 1 36 LEU MD2 1 49 SER HB2 . . 7.470 3.558 3.558 3.558 . 0 0 "[ ]" 1
596 1 36 LEU MD2 1 49 SER HB3 . . 7.470 2.239 2.239 2.239 . 0 0 "[ ]" 1
597 1 36 LEU MD2 1 52 ILE MD . . 7.560 2.632 2.632 2.632 . 0 0 "[ ]" 1
598 1 36 LEU MD2 1 53 TYR QD . . 8.670 4.535 4.535 4.535 . 0 0 "[ ]" 1
599 1 36 LEU MD2 1 53 TYR QE . . 7.820 3.964 3.964 3.964 . 0 0 "[ ]" 1
600 1 36 LEU HG 1 40 ILE MD . . 6.530 5.542 5.542 5.542 . 0 0 "[ ]" 1
601 1 36 LEU HG 1 52 ILE MD . . 6.530 4.446 4.446 4.446 . 0 0 "[ ]" 1
602 1 36 LEU HG 1 52 ILE MG . . 6.530 4.399 4.399 4.399 . 0 0 "[ ]" 1
603 1 36 LEU HG 1 53 TYR QE . . 7.510 4.898 4.898 4.898 . 0 0 "[ ]" 1
604 1 36 LEU O 1 40 ILE H . . 2.300 2.338 2.338 2.338 0.038 1 0 "[ ]" 1
605 1 37 GLU H 1 37 GLU QB . . 3.740 2.282 2.282 2.282 . 0 0 "[ ]" 1
606 1 37 GLU H 1 37 GLU QG . . 4.880 4.156 4.156 4.156 . 0 0 "[ ]" 1
607 1 37 GLU H 1 38 HIS H . . 2.620 2.687 2.687 2.687 0.067 1 0 "[ ]" 1
608 1 37 GLU HA 1 40 ILE H . . 3.580 3.446 3.446 3.446 . 0 0 "[ ]" 1
609 1 37 GLU HA 1 40 ILE HB . . 2.860 2.945 2.945 2.945 0.085 1 0 "[ ]" 1
610 1 37 GLU HA 1 40 ILE MD . . 6.530 2.759 2.759 2.759 . 0 0 "[ ]" 1
611 1 37 GLU HA 1 40 ILE MG . . 5.570 4.286 4.286 4.286 . 0 0 "[ ]" 1
612 1 37 GLU QB 1 38 HIS H . . 4.160 2.432 2.432 2.432 . 0 0 "[ ]" 1
613 1 38 HIS H 1 38 HIS HB2 . . 3.010 2.369 2.369 2.369 . 0 0 "[ ]" 1
614 1 38 HIS H 1 38 HIS HB3 . . 3.010 2.768 2.768 2.768 . 0 0 "[ ]" 1
615 1 38 HIS H 1 39 PHE H . . 2.950 2.792 2.792 2.792 . 0 0 "[ ]" 1
616 1 38 HIS HA 1 38 HIS HD2 . . 4.870 4.205 4.205 4.205 . 0 0 "[ ]" 1
617 1 38 HIS HA 1 41 SER H . . 3.790 3.093 3.093 3.093 . 0 0 "[ ]" 1
618 1 38 HIS HA 1 41 SER HB2 . . 4.420 2.046 2.046 2.046 . 0 0 "[ ]" 1
619 1 38 HIS HA 1 41 SER HB3 . . 4.180 2.793 2.793 2.793 . 0 0 "[ ]" 1
620 1 38 HIS HA 1 42 VAL H . . 5.500 3.921 3.921 3.921 . 0 0 "[ ]" 1
621 1 38 HIS QB 1 38 HIS HD2 . . 3.430 2.579 2.579 2.579 . 0 0 "[ ]" 1
622 1 38 HIS QB 1 39 PHE H . . 3.360 2.535 2.535 2.535 . 0 0 "[ ]" 1
623 1 38 HIS HB2 1 39 PHE H . . 3.700 3.746 3.746 3.746 0.046 1 0 "[ ]" 1
624 1 38 HIS HB3 1 39 PHE H . . 3.700 2.578 2.578 2.578 . 0 0 "[ ]" 1
625 1 38 HIS HD2 1 39 PHE H . . 4.150 4.128 4.128 4.128 . 0 0 "[ ]" 1
626 1 38 HIS HD2 1 39 PHE HA . . 4.450 4.139 4.139 4.139 . 0 0 "[ ]" 1
627 1 38 HIS HD2 1 39 PHE QB . . 6.050 4.645 4.645 4.645 . 0 0 "[ ]" 1
628 1 38 HIS HD2 1 42 VAL QG . . 8.090 2.729 2.729 2.729 . 0 0 "[ ]" 1
629 1 38 HIS HE1 1 42 VAL MG1 . . 4.950 2.415 2.415 2.415 . 0 0 "[ ]" 1
630 1 38 HIS HE1 1 42 VAL QG . . 4.400 2.397 2.397 2.397 . 0 0 "[ ]" 1
631 1 38 HIS HE1 1 42 VAL MG2 . . 4.950 4.011 4.011 4.011 . 0 0 "[ ]" 1
632 1 39 PHE H 1 39 PHE HB2 . . 3.280 2.434 2.434 2.434 . 0 0 "[ ]" 1
633 1 39 PHE H 1 39 PHE QB . . 2.910 2.144 2.144 2.144 . 0 0 "[ ]" 1
634 1 39 PHE H 1 39 PHE HB3 . . 3.280 2.382 2.382 2.382 . 0 0 "[ ]" 1
635 1 39 PHE H 1 40 ILE H . . 3.970 2.866 2.866 2.866 . 0 0 "[ ]" 1
636 1 39 PHE H 1 41 SER H . . 4.270 4.061 4.061 4.061 . 0 0 "[ ]" 1
637 1 39 PHE QB 1 40 ILE H . . 3.500 2.987 2.987 2.987 . 0 0 "[ ]" 1
638 1 39 PHE HB2 1 40 ILE H . . 4.210 4.210 4.210 4.210 0.000 1 0 "[ ]" 1
639 1 39 PHE HB3 1 40 ILE H . . 4.210 3.055 3.055 3.055 . 0 0 "[ ]" 1
640 1 39 PHE QD 1 40 ILE H . . 5.820 4.357 4.357 4.357 . 0 0 "[ ]" 1
641 1 39 PHE QD 1 40 ILE HA . . 5.610 4.908 4.908 4.908 . 0 0 "[ ]" 1
642 1 39 PHE QD 1 40 ILE MD . . 8.650 3.328 3.328 3.328 . 0 0 "[ ]" 1
643 1 39 PHE QD 1 49 SER HA . . 6.210 3.117 3.117 3.117 . 0 0 "[ ]" 1
644 1 39 PHE QD 1 52 ILE MD . . 8.650 3.077 3.077 3.077 . 0 0 "[ ]" 1
645 1 39 PHE QD 1 70 ILE MD . . 8.650 4.328 4.328 4.328 . 0 0 "[ ]" 1
646 1 39 PHE QE 1 43 THR MG . . 8.650 3.637 3.637 3.637 . 0 0 "[ ]" 1
647 1 39 PHE QE 1 49 SER HA . . 5.640 2.292 2.292 2.292 . 0 0 "[ ]" 1
648 1 39 PHE QE 1 51 LEU QB . . 6.490 3.176 3.176 3.176 . 0 0 "[ ]" 1
649 1 39 PHE QE 1 52 ILE MD . . 8.650 2.419 2.419 2.419 . 0 0 "[ ]" 1
650 1 39 PHE QE 1 66 VAL MG2 . . 8.650 4.011 4.011 4.011 . 0 0 "[ ]" 1
651 1 39 PHE QE 1 70 ILE MD . . 7.070 2.506 2.506 2.506 . 0 0 "[ ]" 1
652 1 39 PHE HZ 1 51 LEU HB2 . . 3.580 2.834 2.834 2.834 . 0 0 "[ ]" 1
653 1 39 PHE HZ 1 51 LEU QB . . 3.230 2.691 2.691 2.691 . 0 0 "[ ]" 1
654 1 39 PHE HZ 1 51 LEU HB3 . . 3.580 3.355 3.355 3.355 . 0 0 "[ ]" 1
655 1 39 PHE HZ 1 51 LEU QD . . 5.250 2.896 2.896 2.896 . 0 0 "[ ]" 1
656 1 40 ILE H 1 40 ILE HB . . 2.800 2.390 2.390 2.390 . 0 0 "[ ]" 1
657 1 40 ILE H 1 40 ILE MD . . 4.640 2.450 2.450 2.450 . 0 0 "[ ]" 1
658 1 40 ILE H 1 40 ILE MG . . 4.700 3.759 3.759 3.759 . 0 0 "[ ]" 1
659 1 40 ILE H 1 41 SER H . . 3.250 2.296 2.296 2.296 . 0 0 "[ ]" 1
660 1 40 ILE HA 1 40 ILE MD . . 3.520 2.834 2.834 2.834 . 0 0 "[ ]" 1
661 1 40 ILE HA 1 43 THR H . . 4.180 4.246 4.246 4.246 0.066 1 0 "[ ]" 1
662 1 40 ILE HB 1 40 ILE MD . . 3.430 2.190 2.190 2.190 . 0 0 "[ ]" 1
663 1 40 ILE HB 1 41 SER H . . 3.010 2.682 2.682 2.682 . 0 0 "[ ]" 1
664 1 40 ILE MD 1 41 SER H . . 5.910 3.988 3.988 3.988 . 0 0 "[ ]" 1
665 1 40 ILE MD 1 41 SER HA . . 6.530 5.472 5.472 5.472 . 0 0 "[ ]" 1
666 1 40 ILE MD 1 48 GLY HA2 . . 6.530 2.194 2.194 2.194 . 0 0 "[ ]" 1
667 1 40 ILE MD 1 48 GLY QA . . 5.790 2.105 2.105 2.105 . 0 0 "[ ]" 1
668 1 40 ILE MD 1 48 GLY HA3 . . 6.530 2.707 2.707 2.707 . 0 0 "[ ]" 1
669 1 40 ILE MD 1 49 SER H . . 6.530 2.865 2.865 2.865 . 0 0 "[ ]" 1
670 1 40 ILE MD 1 49 SER HA . . 6.530 4.829 4.829 4.829 . 0 0 "[ ]" 1
671 1 40 ILE MG 1 41 SER H . . 6.530 3.032 3.032 3.032 . 0 0 "[ ]" 1
672 1 40 ILE MG 1 48 GLY QA . . 7.410 4.382 4.382 4.382 . 0 0 "[ ]" 1
673 1 41 SER H 1 41 SER HA . . 2.770 2.569 2.569 2.569 . 0 0 "[ ]" 1
674 1 41 SER H 1 41 SER HB2 . . 3.040 1.885 1.885 1.885 . 0 0 "[ ]" 1
675 1 41 SER H 1 41 SER HB3 . . 3.040 3.109 3.109 3.109 0.069 1 0 "[ ]" 1
676 1 41 SER H 1 42 VAL H . . 3.340 3.413 3.413 3.413 0.073 1 0 "[ ]" 1
677 1 41 SER H 1 42 VAL MG1 . . 6.530 4.820 4.820 4.820 . 0 0 "[ ]" 1
678 1 41 SER H 1 42 VAL MG2 . . 6.530 4.262 4.262 4.262 . 0 0 "[ ]" 1
679 1 41 SER H 1 43 THR H . . 5.500 4.241 4.241 4.241 . 0 0 "[ ]" 1
680 1 41 SER HA 1 41 SER HB2 . . 2.650 2.723 2.723 2.723 0.073 1 0 "[ ]" 1
681 1 41 SER HB3 1 42 VAL H . . 3.670 2.627 2.627 2.627 . 0 0 "[ ]" 1
682 1 42 VAL H 1 42 VAL HB . . 3.040 3.153 3.153 3.153 0.113 1 0 "[ ]" 1
683 1 42 VAL H 1 42 VAL MG1 . . 4.730 2.191 2.191 2.191 . 0 0 "[ ]" 1
684 1 42 VAL H 1 42 VAL MG2 . . 4.730 1.957 1.957 1.957 . 0 0 "[ ]" 1
685 1 42 VAL H 1 43 THR H . . 3.280 2.607 2.607 2.607 . 0 0 "[ ]" 1
686 1 42 VAL HB 1 43 THR H . . 3.640 3.676 3.676 3.676 0.036 1 0 "[ ]" 1
687 1 42 VAL QG 1 43 THR HA . . 8.090 3.542 3.542 3.542 . 0 0 "[ ]" 1
688 1 42 VAL MG1 1 43 THR H . . 6.530 4.097 4.097 4.097 . 0 0 "[ ]" 1
689 1 42 VAL MG2 1 43 THR H . . 6.530 2.357 2.357 2.357 . 0 0 "[ ]" 1
690 1 43 THR H 1 43 THR HB . . 3.160 2.746 2.746 2.746 . 0 0 "[ ]" 1
691 1 43 THR H 1 43 THR MG . . 3.890 3.378 3.378 3.378 . 0 0 "[ ]" 1
692 1 43 THR H 1 44 GLU H . . 5.500 2.708 2.708 2.708 . 0 0 "[ ]" 1
693 1 43 THR HA 1 43 THR HB . . 2.800 2.892 2.892 2.892 0.092 1 0 "[ ]" 1
694 1 43 THR HA 1 43 THR MG . . 3.520 2.136 2.136 2.136 . 0 0 "[ ]" 1
695 1 43 THR HB 1 44 GLU H . . 2.980 2.839 2.839 2.839 . 0 0 "[ ]" 1
696 1 43 THR HB 1 45 HIS H . . 3.160 1.892 1.892 1.892 . 0 0 "[ ]" 1
697 1 43 THR HB 1 45 HIS HB2 . . 3.070 3.111 3.111 3.111 0.041 1 0 "[ ]" 1
698 1 43 THR HB 1 45 HIS QB . . 2.670 2.485 2.485 2.485 . 0 0 "[ ]" 1
699 1 43 THR HB 1 45 HIS HB3 . . 3.070 2.613 2.613 2.613 . 0 0 "[ ]" 1
700 1 43 THR MG 1 73 TRP HE3 . . 6.530 3.946 3.946 3.946 . 0 0 "[ ]" 1
701 1 44 GLU H 1 44 GLU HA . . 2.620 2.284 2.284 2.284 . 0 0 "[ ]" 1
702 1 44 GLU H 1 44 GLU QG . . 4.730 4.185 4.185 4.185 . 0 0 "[ ]" 1
703 1 44 GLU H 1 45 HIS H . . 2.500 2.568 2.568 2.568 0.068 1 0 "[ ]" 1
704 1 44 GLU HA 1 44 GLU QB . . 2.720 2.498 2.498 2.498 . 0 0 "[ ]" 1
705 1 44 GLU QB 1 73 TRP HH2 . . 3.870 2.496 2.496 2.496 . 0 0 "[ ]" 1
706 1 44 GLU QB 1 73 TRP HZ3 . . 3.310 2.308 2.308 2.308 . 0 0 "[ ]" 1
707 1 44 GLU HB2 1 73 TRP HH2 . . 4.270 4.207 4.207 4.207 . 0 0 "[ ]" 1
708 1 44 GLU HB2 1 73 TRP HZ3 . . 3.790 3.854 3.854 3.854 0.064 1 0 "[ ]" 1
709 1 44 GLU HB3 1 73 TRP HH2 . . 4.270 2.515 2.515 2.515 . 0 0 "[ ]" 1
710 1 44 GLU HB3 1 73 TRP HZ3 . . 3.790 2.327 2.327 2.327 . 0 0 "[ ]" 1
711 1 45 HIS H 1 45 HIS HB2 . . 3.160 2.674 2.674 2.674 . 0 0 "[ ]" 1
712 1 45 HIS H 1 45 HIS QB . . 2.960 2.315 2.315 2.315 . 0 0 "[ ]" 1
713 1 45 HIS H 1 45 HIS HB3 . . 3.160 2.537 2.537 2.537 . 0 0 "[ ]" 1
714 1 45 HIS QB 1 45 HIS HD2 . . 3.400 2.748 2.748 2.748 . 0 0 "[ ]" 1
715 1 45 HIS QB 1 48 GLY H . . 4.490 3.712 3.712 3.712 . 0 0 "[ ]" 1
716 1 45 HIS QB 1 70 ILE MD . . 4.110 2.889 2.889 2.889 . 0 0 "[ ]" 1
717 1 45 HIS HB2 1 70 ILE MD . . 4.260 3.224 3.224 3.224 . 0 0 "[ ]" 1
718 1 45 HIS HB3 1 70 ILE MD . . 4.260 3.263 3.263 3.263 . 0 0 "[ ]" 1
719 1 45 HIS HD2 1 46 PRO QD . . 5.360 4.441 4.441 4.441 . 0 0 "[ ]" 1
720 1 45 HIS HD2 1 69 GLU QB . . 4.760 3.956 3.956 3.956 . 0 0 "[ ]" 1
721 1 45 HIS HD2 1 70 ILE H . . 4.990 4.956 4.956 4.956 . 0 0 "[ ]" 1
722 1 45 HIS HD2 1 70 ILE HA . . 2.680 2.768 2.768 2.768 0.088 1 0 "[ ]" 1
723 1 45 HIS HD2 1 70 ILE MD . . 5.540 2.627 2.627 2.627 . 0 0 "[ ]" 1
724 1 45 HIS HD2 1 70 ILE QG . . 5.360 4.510 4.510 4.510 . 0 0 "[ ]" 1
725 1 45 HIS HD2 1 70 ILE MG . . 6.530 4.276 4.276 4.276 . 0 0 "[ ]" 1
726 1 45 HIS HD2 1 73 TRP H . . 3.940 4.002 4.002 4.002 0.062 1 0 "[ ]" 1
727 1 45 HIS HD2 1 73 TRP HA . . 4.510 4.610 4.610 4.610 0.100 1 0 "[ ]" 1
728 1 45 HIS HD2 1 73 TRP HB2 . . 3.070 2.517 2.517 2.517 . 0 0 "[ ]" 1
729 1 45 HIS HD2 1 73 TRP HB3 . . 2.860 2.046 2.046 2.046 . 0 0 "[ ]" 1
730 1 45 HIS HD2 1 73 TRP HD1 . . 4.450 4.087 4.087 4.087 . 0 0 "[ ]" 1
731 1 45 HIS HD2 1 73 TRP HE3 . . 3.820 3.352 3.352 3.352 . 0 0 "[ ]" 1
732 1 45 HIS HD2 1 74 ARG H . . 5.500 4.386 4.386 4.386 . 0 0 "[ ]" 1
733 1 45 HIS HE1 1 46 PRO QD . . 6.290 4.080 4.080 4.080 . 0 0 "[ ]" 1
734 1 45 HIS HE1 1 46 PRO QG . . 4.970 4.146 4.146 4.146 . 0 0 "[ ]" 1
735 1 45 HIS HE1 1 47 SER H . . 2.980 2.963 2.963 2.963 . 0 0 "[ ]" 1
736 1 45 HIS HE1 1 47 SER HA . . 5.200 4.606 4.606 4.606 . 0 0 "[ ]" 1
737 1 45 HIS HE1 1 47 SER HB2 . . 3.340 2.208 2.208 2.208 . 0 0 "[ ]" 1
738 1 45 HIS HE1 1 47 SER QB . . 2.970 2.183 2.183 2.183 . 0 0 "[ ]" 1
739 1 45 HIS HE1 1 47 SER HB3 . . 3.340 3.423 3.423 3.423 0.083 1 0 "[ ]" 1
740 1 45 HIS HE1 1 51 LEU QD . . 5.770 2.282 2.282 2.282 . 0 0 "[ ]" 1
741 1 45 HIS HE1 1 51 LEU HG . . 4.660 4.711 4.711 4.711 0.051 1 0 "[ ]" 1
742 1 46 PRO QD 1 73 TRP HE1 . . 5.150 2.794 2.794 2.794 . 0 0 "[ ]" 1
743 1 46 PRO QD 1 73 TRP HH2 . . 4.700 2.995 2.995 2.995 . 0 0 "[ ]" 1
744 1 46 PRO QD 1 73 TRP HZ2 . . 3.920 2.090 2.090 2.090 . 0 0 "[ ]" 1
745 1 46 PRO QG 1 73 TRP HZ2 . . 3.370 2.623 2.623 2.623 . 0 0 "[ ]" 1
746 1 46 PRO HG2 1 73 TRP HE1 . . 3.490 3.156 3.156 3.156 . 0 0 "[ ]" 1
747 1 46 PRO HG2 1 73 TRP HZ2 . . 3.670 3.759 3.759 3.759 0.089 1 0 "[ ]" 1
748 1 46 PRO HG3 1 73 TRP HE1 . . 3.490 3.263 3.263 3.263 . 0 0 "[ ]" 1
749 1 46 PRO HG3 1 73 TRP HZ2 . . 3.670 2.677 2.677 2.677 . 0 0 "[ ]" 1
750 1 47 SER H 1 47 SER HB2 . . 4.090 2.310 2.310 2.310 . 0 0 "[ ]" 1
751 1 47 SER H 1 47 SER QB . . 3.640 2.278 2.278 2.278 . 0 0 "[ ]" 1
752 1 47 SER H 1 47 SER HB3 . . 4.090 3.462 3.462 3.462 . 0 0 "[ ]" 1
753 1 47 SER H 1 48 GLY H . . 2.980 2.967 2.967 2.967 . 0 0 "[ ]" 1
754 1 47 SER HA 1 48 GLY H . . 3.580 3.626 3.626 3.626 0.046 1 0 "[ ]" 1
755 1 47 SER QB 1 50 ASP H . . 4.850 3.020 3.020 3.020 . 0 0 "[ ]" 1
756 1 47 SER QB 1 50 ASP QB . . 4.610 2.037 2.037 2.037 . 0 0 "[ ]" 1
757 1 47 SER QB 1 51 LEU H . . 4.850 2.694 2.694 2.694 . 0 0 "[ ]" 1
758 1 47 SER QB 1 51 LEU QD . . 5.990 2.022 2.022 2.022 . 0 0 "[ ]" 1
759 1 47 SER HB2 1 51 LEU MD1 . . 8.270 2.502 2.502 2.502 . 0 0 "[ ]" 1
760 1 47 SER HB2 1 51 LEU MD2 . . 8.270 2.891 2.891 2.891 . 0 0 "[ ]" 1
761 1 47 SER HB3 1 51 LEU MD1 . . 8.270 2.220 2.220 2.220 . 0 0 "[ ]" 1
762 1 47 SER HB3 1 51 LEU MD2 . . 8.270 3.591 3.591 3.591 . 0 0 "[ ]" 1
763 1 48 GLY H 1 48 GLY HA2 . . 2.800 2.808 2.808 2.808 0.008 1 0 "[ ]" 1
764 1 48 GLY H 1 48 GLY QA . . 2.510 2.222 2.222 2.222 . 0 0 "[ ]" 1
765 1 48 GLY H 1 48 GLY HA3 . . 2.800 2.328 2.328 2.328 . 0 0 "[ ]" 1
766 1 48 GLY H 1 49 SER H . . 4.480 4.516 4.516 4.516 0.036 1 0 "[ ]" 1
767 1 48 GLY QA 1 49 SER H . . 2.710 2.065 2.065 2.065 . 0 0 "[ ]" 1
768 1 48 GLY HA2 1 49 SER H . . 3.010 2.098 2.098 2.098 . 0 0 "[ ]" 1
769 1 48 GLY HA3 1 49 SER H . . 3.010 3.090 3.090 3.090 0.080 1 0 "[ ]" 1
770 1 49 SER H 1 49 SER HB2 . . 3.760 3.098 3.098 3.098 . 0 0 "[ ]" 1
771 1 49 SER H 1 49 SER QB . . 3.420 2.851 2.851 2.851 . 0 0 "[ ]" 1
772 1 49 SER H 1 49 SER HB3 . . 3.760 3.333 3.333 3.333 . 0 0 "[ ]" 1
773 1 49 SER H 1 50 ASP H . . 3.250 3.064 3.064 3.064 . 0 0 "[ ]" 1
774 1 49 SER HA 1 51 LEU H . . 3.700 3.785 3.785 3.785 0.085 1 0 "[ ]" 1
775 1 49 SER HA 1 52 ILE H . . 3.790 3.413 3.413 3.413 . 0 0 "[ ]" 1
776 1 49 SER HA 1 52 ILE MD . . 6.530 3.037 3.037 3.037 . 0 0 "[ ]" 1
777 1 49 SER HA 1 53 TYR QD . . 5.630 4.736 4.736 4.736 . 0 0 "[ ]" 1
778 1 49 SER QB 1 53 TYR QD . . 5.550 2.417 2.417 2.417 . 0 0 "[ ]" 1
779 1 49 SER QB 1 53 TYR QE . . 5.970 3.073 3.073 3.073 . 0 0 "[ ]" 1
780 1 49 SER HB2 1 53 TYR QD . . 5.840 2.534 2.534 2.534 . 0 0 "[ ]" 1
781 1 49 SER HB2 1 53 TYR QE . . 6.340 3.736 3.736 3.736 . 0 0 "[ ]" 1
782 1 49 SER HB3 1 53 TYR QD . . 5.840 3.050 3.050 3.050 . 0 0 "[ ]" 1
783 1 49 SER HB3 1 53 TYR QE . . 6.340 3.268 3.268 3.268 . 0 0 "[ ]" 1
784 1 50 ASP H 1 50 ASP HB2 . . 3.190 2.797 2.797 2.797 . 0 0 "[ ]" 1
785 1 50 ASP H 1 50 ASP QB . . 2.980 2.022 2.022 2.022 . 0 0 "[ ]" 1
786 1 50 ASP H 1 50 ASP HB3 . . 3.190 2.075 2.075 2.075 . 0 0 "[ ]" 1
787 1 50 ASP H 1 51 LEU H . . 3.040 2.797 2.797 2.797 . 0 0 "[ ]" 1
788 1 50 ASP H 1 52 ILE H . . 4.360 4.073 4.073 4.073 . 0 0 "[ ]" 1
789 1 50 ASP HA 1 52 ILE H . . 4.750 3.497 3.497 3.497 . 0 0 "[ ]" 1
790 1 50 ASP HA 1 53 TYR H . . 3.250 3.319 3.319 3.319 0.069 1 0 "[ ]" 1
791 1 50 ASP HA 1 53 TYR QD . . 6.680 4.915 4.915 4.915 . 0 0 "[ ]" 1
792 1 50 ASP HA 1 54 TYR H . . 2.920 2.901 2.901 2.901 . 0 0 "[ ]" 1
793 1 50 ASP HA 1 54 TYR QB . . 4.190 2.904 2.904 2.904 . 0 0 "[ ]" 1
794 1 50 ASP HA 1 54 TYR QD . . 5.210 2.400 2.400 2.400 . 0 0 "[ ]" 1
795 1 50 ASP HA 1 54 TYR QE . . 7.030 3.654 3.654 3.654 . 0 0 "[ ]" 1
796 1 50 ASP QB 1 54 TYR QD . . 6.900 2.375 2.375 2.375 . 0 0 "[ ]" 1
797 1 50 ASP HB2 1 51 LEU H . . 5.050 4.380 4.380 4.380 . 0 0 "[ ]" 1
798 1 50 ASP HB3 1 51 LEU H . . 5.050 3.243 3.243 3.243 . 0 0 "[ ]" 1
799 1 50 ASP O 1 54 TYR H . . 2.300 2.078 2.078 2.078 . 0 0 "[ ]" 1
800 1 51 LEU H 1 51 LEU HB2 . . 3.400 2.070 2.070 2.070 . 0 0 "[ ]" 1
801 1 51 LEU H 1 51 LEU QB . . 3.060 2.053 2.053 2.053 . 0 0 "[ ]" 1
802 1 51 LEU H 1 51 LEU HB3 . . 3.400 3.415 3.415 3.415 0.015 1 0 "[ ]" 1
803 1 51 LEU H 1 51 LEU MD1 . . 4.170 2.624 2.624 2.624 . 0 0 "[ ]" 1
804 1 51 LEU H 1 51 LEU QD . . 3.610 2.541 2.541 2.541 . 0 0 "[ ]" 1
805 1 51 LEU H 1 51 LEU MD2 . . 4.170 3.391 3.391 3.391 . 0 0 "[ ]" 1
806 1 51 LEU H 1 51 LEU HG . . 5.500 4.283 4.283 4.283 . 0 0 "[ ]" 1
807 1 51 LEU H 1 52 ILE H . . 3.160 2.664 2.664 2.664 . 0 0 "[ ]" 1
808 1 51 LEU H 1 52 ILE HB . . 5.380 4.076 4.076 4.076 . 0 0 "[ ]" 1
809 1 51 LEU H 1 66 VAL MG1 . . 6.530 5.118 5.118 5.118 . 0 0 "[ ]" 1
810 1 51 LEU HA 1 51 LEU QD . . 3.900 2.165 2.165 2.165 . 0 0 "[ ]" 1
811 1 51 LEU HA 1 59 ASN HD21 . . 3.190 3.271 3.271 3.271 0.081 1 0 "[ ]" 1
812 1 51 LEU HA 1 59 ASN HD22 . . 3.190 3.250 3.250 3.250 0.060 1 0 "[ ]" 1
813 1 51 LEU HA 1 66 VAL MG2 . . 6.530 4.354 4.354 4.354 . 0 0 "[ ]" 1
814 1 51 LEU QB 1 51 LEU HG . . 2.640 2.226 2.226 2.226 . 0 0 "[ ]" 1
815 1 51 LEU QB 1 52 ILE H . . 3.890 3.272 3.272 3.272 . 0 0 "[ ]" 1
816 1 51 LEU QB 1 52 ILE MG . . 7.410 4.987 4.987 4.987 . 0 0 "[ ]" 1
817 1 51 LEU QB 1 59 ASN QD . . 5.740 3.313 3.313 3.313 . 0 0 "[ ]" 1
818 1 51 LEU QB 1 66 VAL MG1 . . 4.310 2.723 2.723 2.723 . 0 0 "[ ]" 1
819 1 51 LEU QB 1 66 VAL MG2 . . 5.240 2.324 2.324 2.324 . 0 0 "[ ]" 1
820 1 51 LEU QB 1 70 ILE MD . . 4.830 3.661 3.661 3.661 . 0 0 "[ ]" 1
821 1 51 LEU HB2 1 52 ILE H . . 4.360 3.509 3.509 3.509 . 0 0 "[ ]" 1
822 1 51 LEU HB2 1 66 VAL MG1 . . 5.100 3.381 3.381 3.381 . 0 0 "[ ]" 1
823 1 51 LEU HB3 1 52 ILE H . . 4.360 3.912 3.912 3.912 . 0 0 "[ ]" 1
824 1 51 LEU HB3 1 66 VAL MG1 . . 5.100 2.872 2.872 2.872 . 0 0 "[ ]" 1
825 1 51 LEU QD 1 59 ASN QD . . 6.850 3.649 3.649 3.649 . 0 0 "[ ]" 1
826 1 51 LEU QD 1 66 VAL HA . . 7.540 3.193 3.193 3.193 . 0 0 "[ ]" 1
827 1 51 LEU QD 1 66 VAL MG1 . . 7.670 2.327 2.327 2.327 . 0 0 "[ ]" 1
828 1 51 LEU QD 1 66 VAL MG2 . . 9.130 3.437 3.437 3.437 . 0 0 "[ ]" 1
829 1 51 LEU QD 1 69 GLU H . . 8.100 4.497 4.497 4.497 . 0 0 "[ ]" 1
830 1 51 LEU MD1 1 52 ILE H . . 6.530 4.475 4.475 4.475 . 0 0 "[ ]" 1
831 1 51 LEU MD1 1 59 ASN HD21 . . 8.710 4.108 4.108 4.108 . 0 0 "[ ]" 1
832 1 51 LEU MD1 1 59 ASN HD22 . . 8.710 4.547 4.547 4.547 . 0 0 "[ ]" 1
833 1 51 LEU MD2 1 52 ILE H . . 6.530 5.077 5.077 5.077 . 0 0 "[ ]" 1
834 1 51 LEU MD2 1 59 ASN HD21 . . 8.710 5.326 5.326 5.326 . 0 0 "[ ]" 1
835 1 51 LEU MD2 1 59 ASN HD22 . . 8.710 5.069 5.069 5.069 . 0 0 "[ ]" 1
836 1 52 ILE H 1 52 ILE HB . . 2.650 2.277 2.277 2.277 . 0 0 "[ ]" 1
837 1 52 ILE H 1 52 ILE QG . . 4.820 3.135 3.135 3.135 . 0 0 "[ ]" 1
838 1 52 ILE H 1 53 TYR H . . 2.830 2.064 2.064 2.064 . 0 0 "[ ]" 1
839 1 52 ILE H 1 54 TYR H . . 4.150 3.134 3.134 3.134 . 0 0 "[ ]" 1
840 1 52 ILE HA 1 52 ILE HB . . 2.830 2.921 2.921 2.921 0.091 1 0 "[ ]" 1
841 1 52 ILE HA 1 52 ILE MG . . 3.610 2.831 2.831 2.831 . 0 0 "[ ]" 1
842 1 52 ILE HA 1 66 VAL MG1 . . 6.530 4.996 4.996 4.996 . 0 0 "[ ]" 1
843 1 52 ILE HA 1 66 VAL MG2 . . 3.860 3.335 3.335 3.335 . 0 0 "[ ]" 1
844 1 52 ILE HB 1 52 ILE MD . . 3.430 2.506 2.506 2.506 . 0 0 "[ ]" 1
845 1 52 ILE HB 1 53 TYR H . . 2.860 2.922 2.922 2.922 0.062 1 0 "[ ]" 1
846 1 52 ILE HB 1 53 TYR QD . . 6.020 4.569 4.569 4.569 . 0 0 "[ ]" 1
847 1 52 ILE HB 1 53 TYR QE . . 7.480 5.308 5.308 5.308 . 0 0 "[ ]" 1
848 1 52 ILE MD 1 53 TYR QE . . 8.660 5.245 5.245 5.245 . 0 0 "[ ]" 1
849 1 52 ILE MD 1 66 VAL MG1 . . 7.560 2.625 2.625 2.625 . 0 0 "[ ]" 1
850 1 52 ILE MD 1 66 VAL MG2 . . 7.560 2.772 2.772 2.772 . 0 0 "[ ]" 1
851 1 52 ILE QG 1 66 VAL MG1 . . 7.400 2.964 2.964 2.964 . 0 0 "[ ]" 1
852 1 52 ILE QG 1 66 VAL MG2 . . 7.400 2.138 2.138 2.138 . 0 0 "[ ]" 1
853 1 52 ILE MG 1 53 TYR H . . 5.780 3.074 3.074 3.074 . 0 0 "[ ]" 1
854 1 52 ILE MG 1 53 TYR HA . . 6.530 3.572 3.572 3.572 . 0 0 "[ ]" 1
855 1 52 ILE MG 1 53 TYR QD . . 8.670 2.781 2.781 2.781 . 0 0 "[ ]" 1
856 1 52 ILE MG 1 53 TYR QE . . 8.660 3.140 3.140 3.140 . 0 0 "[ ]" 1
857 1 52 ILE MG 1 66 VAL MG1 . . 7.560 5.055 5.055 5.055 . 0 0 "[ ]" 1
858 1 52 ILE MG 1 66 VAL MG2 . . 7.560 4.225 4.225 4.225 . 0 0 "[ ]" 1
859 1 53 TYR H 1 53 TYR HB2 . . 3.400 2.252 2.252 2.252 . 0 0 "[ ]" 1
860 1 53 TYR H 1 53 TYR QB . . 3.180 2.226 2.226 2.226 . 0 0 "[ ]" 1
861 1 53 TYR H 1 53 TYR HB3 . . 3.400 3.485 3.485 3.485 0.085 1 0 "[ ]" 1
862 1 53 TYR H 1 54 TYR H . . 3.130 2.279 2.279 2.279 . 0 0 "[ ]" 1
863 1 53 TYR HA 1 54 TYR QD . . 7.130 4.704 4.704 4.704 . 0 0 "[ ]" 1
864 1 53 TYR QB 1 54 TYR QD . . 6.080 3.358 3.358 3.358 . 0 0 "[ ]" 1
865 1 53 TYR QB 1 54 TYR QE . . 6.510 3.215 3.215 3.215 . 0 0 "[ ]" 1
866 1 53 TYR HB2 1 54 TYR QD . . 6.200 3.961 3.961 3.961 . 0 0 "[ ]" 1
867 1 53 TYR HB2 1 54 TYR QE . . 6.850 3.958 3.958 3.958 . 0 0 "[ ]" 1
868 1 53 TYR HB3 1 54 TYR QD . . 6.200 3.628 3.628 3.628 . 0 0 "[ ]" 1
869 1 53 TYR HB3 1 54 TYR QE . . 6.850 3.402 3.402 3.402 . 0 0 "[ ]" 1
870 1 53 TYR QD 1 54 TYR H . . 6.740 4.866 4.866 4.866 . 0 0 "[ ]" 1
871 1 54 TYR H 1 54 TYR QB . . 3.740 2.733 2.733 2.733 . 0 0 "[ ]" 1
872 1 54 TYR H 1 54 TYR QE . . 7.300 5.009 5.009 5.009 . 0 0 "[ ]" 1
873 1 54 TYR H 1 55 PRO HD2 . . 3.880 3.535 3.535 3.535 . 0 0 "[ ]" 1
874 1 54 TYR H 1 55 PRO QD . . 3.580 2.550 2.550 2.550 . 0 0 "[ ]" 1
875 1 54 TYR H 1 55 PRO HD3 . . 3.880 2.615 2.615 2.615 . 0 0 "[ ]" 1
876 1 54 TYR QD 1 55 PRO QD . . 7.650 4.350 4.350 4.350 . 0 0 "[ ]" 1
877 1 55 PRO HA 1 56 GLU H . . 2.500 2.290 2.290 2.290 . 0 0 "[ ]" 1
878 1 55 PRO HA 1 59 ASN HD21 . . 3.280 2.612 2.612 2.612 . 0 0 "[ ]" 1
879 1 55 PRO HA 1 59 ASN QD . . 3.070 2.527 2.527 2.527 . 0 0 "[ ]" 1
880 1 55 PRO HA 1 59 ASN HD22 . . 3.280 3.362 3.362 3.362 0.082 1 0 "[ ]" 1
881 1 55 PRO QB 1 56 GLU H . . 4.180 2.709 2.709 2.709 . 0 0 "[ ]" 1
882 1 55 PRO QG 1 56 GLU H . . 4.970 4.204 4.204 4.204 . 0 0 "[ ]" 1
883 1 55 PRO QG 1 59 ASN HD21 . . 4.550 4.211 4.211 4.211 . 0 0 "[ ]" 1
884 1 55 PRO QG 1 59 ASN HD22 . . 4.550 3.906 3.906 3.906 . 0 0 "[ ]" 1
885 1 56 GLU H 1 56 GLU HB2 . . 3.610 3.651 3.651 3.651 0.041 1 0 "[ ]" 1
886 1 56 GLU H 1 56 GLU QB . . 3.320 3.069 3.069 3.069 . 0 0 "[ ]" 1
887 1 56 GLU H 1 56 GLU HB3 . . 3.610 3.300 3.300 3.300 . 0 0 "[ ]" 1
888 1 56 GLU H 1 56 GLU QG . . 3.950 2.540 2.540 2.540 . 0 0 "[ ]" 1
889 1 56 GLU H 1 57 GLY H . . 5.500 4.178 4.178 4.178 . 0 0 "[ ]" 1
890 1 56 GLU H 1 59 ASN HB3 . . 3.130 3.193 3.193 3.193 0.063 1 0 "[ ]" 1
891 1 56 GLU H 1 59 ASN HD21 . . 4.240 2.422 2.422 2.422 . 0 0 "[ ]" 1
892 1 56 GLU H 1 59 ASN QD . . 3.610 2.402 2.402 2.402 . 0 0 "[ ]" 1
893 1 56 GLU H 1 59 ASN HD22 . . 4.240 3.990 3.990 3.990 . 0 0 "[ ]" 1
894 1 56 GLU HA 1 56 GLU HB2 . . 2.920 2.581 2.581 2.581 . 0 0 "[ ]" 1
895 1 56 GLU HA 1 56 GLU HB3 . . 2.920 2.284 2.284 2.284 . 0 0 "[ ]" 1
896 1 56 GLU HA 1 57 GLY H . . 2.710 2.785 2.785 2.785 0.075 1 0 "[ ]" 1
897 1 56 GLU HA 1 57 GLY QA . . 5.120 3.825 3.825 3.825 . 0 0 "[ ]" 1
898 1 56 GLU HB2 1 57 GLY H . . 3.190 1.766 1.766 1.766 . 0 0 "[ ]" 1
899 1 56 GLU HB3 1 57 GLY H . . 3.190 3.257 3.257 3.257 0.067 1 0 "[ ]" 1
900 1 56 GLU QG 1 57 GLY H . . 5.120 3.566 3.566 3.566 . 0 0 "[ ]" 1
901 1 56 GLU QG 1 59 ASN QD . . 6.020 3.908 3.908 3.908 . 0 0 "[ ]" 1
902 1 57 GLY QA 1 58 ASN H . . 3.010 2.871 2.871 2.871 . 0 0 "[ ]" 1
903 1 57 GLY QA 1 59 ASN H . . 3.650 2.930 2.930 2.930 . 0 0 "[ ]" 1
904 1 57 GLY HA2 1 58 ASN H . . 3.310 3.225 3.225 3.225 . 0 0 "[ ]" 1
905 1 57 GLY HA2 1 59 ASN H . . 3.940 4.032 4.032 4.032 0.092 1 0 "[ ]" 1
906 1 57 GLY HA3 1 58 ASN H . . 3.310 3.221 3.221 3.221 . 0 0 "[ ]" 1
907 1 57 GLY HA3 1 59 ASN H . . 3.940 3.009 3.009 3.009 . 0 0 "[ ]" 1
908 1 58 ASN H 1 58 ASN HB2 . . 4.090 3.565 3.565 3.565 . 0 0 "[ ]" 1
909 1 58 ASN H 1 58 ASN QB . . 3.660 2.298 2.298 2.298 . 0 0 "[ ]" 1
910 1 58 ASN H 1 58 ASN HB3 . . 4.090 2.327 2.327 2.327 . 0 0 "[ ]" 1
911 1 58 ASN H 1 59 ASN H . . 3.400 2.072 2.072 2.072 . 0 0 "[ ]" 1
912 1 58 ASN QB 1 58 ASN QD . . 2.910 2.186 2.186 2.186 . 0 0 "[ ]" 1
913 1 58 ASN HB2 1 58 ASN HD21 . . 3.670 3.431 3.431 3.431 . 0 0 "[ ]" 1
914 1 58 ASN HB2 1 58 ASN HD22 . . 3.670 3.769 3.769 3.769 0.099 1 0 "[ ]" 1
915 1 58 ASN HB3 1 58 ASN HD21 . . 3.670 2.262 2.262 2.262 . 0 0 "[ ]" 1
916 1 58 ASN HB3 1 58 ASN HD22 . . 3.670 3.314 3.314 3.314 . 0 0 "[ ]" 1
917 1 59 ASN H 1 59 ASN HA . . 2.890 2.913 2.913 2.913 0.023 1 0 "[ ]" 1
918 1 59 ASN H 1 59 ASN HB2 . . 2.650 2.254 2.254 2.254 . 0 0 "[ ]" 1
919 1 59 ASN H 1 59 ASN HB3 . . 2.650 2.716 2.716 2.716 0.066 1 0 "[ ]" 1
920 1 59 ASN H 1 59 ASN QD . . 5.110 4.275 4.275 4.275 . 0 0 "[ ]" 1
921 1 59 ASN H 1 60 ASP H . . 5.440 4.599 4.599 4.599 . 0 0 "[ ]" 1
922 1 59 ASN HA 1 59 ASN HB2 . . 2.830 2.581 2.581 2.581 . 0 0 "[ ]" 1
923 1 59 ASN HA 1 60 ASP H . . 2.530 2.207 2.207 2.207 . 0 0 "[ ]" 1
924 1 59 ASN HA 1 61 GLY H . . 3.400 3.469 3.469 3.469 0.069 1 0 "[ ]" 1
925 1 59 ASN HB2 1 59 ASN QD . . 3.220 2.171 2.171 2.171 . 0 0 "[ ]" 1
926 1 59 ASN HB2 1 59 ASN HD22 . . 3.820 3.464 3.464 3.464 . 0 0 "[ ]" 1
927 1 59 ASN HB2 1 60 ASP H . . 5.500 4.358 4.358 4.358 . 0 0 "[ ]" 1
928 1 59 ASN HB3 1 59 ASN HD21 . . 3.490 2.859 2.859 2.859 . 0 0 "[ ]" 1
929 1 59 ASN HB3 1 59 ASN QD . . 3.100 2.752 2.752 2.752 . 0 0 "[ ]" 1
930 1 59 ASN HB3 1 59 ASN HD22 . . 3.490 3.585 3.585 3.585 0.095 1 0 "[ ]" 1
931 1 59 ASN QD 1 66 VAL MG2 . . 5.950 3.184 3.184 3.184 . 0 0 "[ ]" 1
932 1 59 ASN HD21 1 66 VAL MG2 . . 6.530 4.519 4.519 4.519 . 0 0 "[ ]" 1
933 1 59 ASN HD22 1 66 VAL MG2 . . 6.530 3.253 3.253 3.253 . 0 0 "[ ]" 1
934 1 60 ASP H 1 60 ASP QB . . 3.800 2.642 2.642 2.642 . 0 0 "[ ]" 1
935 1 60 ASP H 1 61 GLY H . . 2.740 2.215 2.215 2.215 . 0 0 "[ ]" 1
936 1 60 ASP H 1 61 GLY QA . . 6.380 4.103 4.103 4.103 . 0 0 "[ ]" 1
937 1 60 ASP H 1 62 SER H . . 3.640 3.703 3.703 3.703 0.063 1 0 "[ ]" 1
938 1 60 ASP H 1 65 ALA MB . . 3.460 1.753 1.753 1.753 . 0 0 "[ ]" 1
939 1 60 ASP HA 1 60 ASP QB . . 2.720 2.136 2.136 2.136 . 0 0 "[ ]" 1
940 1 60 ASP HA 1 61 GLY H . . 3.640 3.344 3.344 3.344 . 0 0 "[ ]" 1
941 1 61 GLY H 1 61 GLY HA2 . . 2.740 2.818 2.818 2.818 0.078 1 0 "[ ]" 1
942 1 61 GLY H 1 61 GLY QA . . 2.530 2.152 2.152 2.152 . 0 0 "[ ]" 1
943 1 61 GLY H 1 61 GLY HA3 . . 2.740 2.233 2.233 2.233 . 0 0 "[ ]" 1
944 1 61 GLY H 1 62 SER H . . 3.070 2.882 2.882 2.882 . 0 0 "[ ]" 1
945 1 62 SER H 1 62 SER HB2 . . 3.250 3.348 3.348 3.348 0.098 1 0 "[ ]" 1
946 1 62 SER H 1 62 SER QB . . 2.830 2.124 2.124 2.124 . 0 0 "[ ]" 1
947 1 62 SER H 1 62 SER HB3 . . 3.250 2.148 2.148 2.148 . 0 0 "[ ]" 1
948 1 62 SER H 1 65 ALA H . . 3.520 3.558 3.558 3.558 0.038 1 0 "[ ]" 1
949 1 62 SER HA 1 63 PRO HD2 . . 3.160 2.821 2.821 2.821 . 0 0 "[ ]" 1
950 1 62 SER HA 1 63 PRO QD . . 2.820 2.503 2.503 2.503 . 0 0 "[ ]" 1
951 1 62 SER HA 1 63 PRO HD3 . . 3.160 2.797 2.797 2.797 . 0 0 "[ ]" 1
952 1 62 SER HA 1 64 GLU H . . 3.970 4.046 4.046 4.046 0.076 1 0 "[ ]" 1
953 1 62 SER HA 1 65 ALA H . . 5.380 5.415 5.415 5.415 0.035 1 0 "[ ]" 1
954 1 62 SER QB 1 63 PRO QD . . 5.060 2.207 2.207 2.207 . 0 0 "[ ]" 1
955 1 62 SER QB 1 64 GLU H . . 4.220 3.391 3.391 3.391 . 0 0 "[ ]" 1
956 1 63 PRO HA 1 64 GLU H . . 3.340 3.415 3.415 3.415 0.075 1 0 "[ ]" 1
957 1 63 PRO QD 1 64 GLU H . . 4.630 2.968 2.968 2.968 . 0 0 "[ ]" 1
958 1 63 PRO HD2 1 64 GLU H . . 5.500 3.046 3.046 3.046 . 0 0 "[ ]" 1
959 1 63 PRO HD3 1 64 GLU H . . 5.500 4.097 4.097 4.097 . 0 0 "[ ]" 1
960 1 63 PRO O 1 67 ILE H . . 2.300 2.356 2.356 2.356 0.056 1 0 "[ ]" 1
961 1 64 GLU H 1 64 GLU HA . . 2.890 2.890 2.890 2.890 . 1 0 "[ ]" 1
962 1 64 GLU H 1 64 GLU QB . . 3.450 2.185 2.185 2.185 . 0 0 "[ ]" 1
963 1 64 GLU H 1 64 GLU HG2 . . 3.430 2.660 2.660 2.660 . 0 0 "[ ]" 1
964 1 64 GLU H 1 64 GLU QG . . 3.120 2.585 2.585 2.585 . 0 0 "[ ]" 1
965 1 64 GLU H 1 64 GLU HG3 . . 3.430 3.522 3.522 3.522 0.092 1 0 "[ ]" 1
966 1 64 GLU H 1 65 ALA H . . 3.070 2.669 2.669 2.669 . 0 0 "[ ]" 1
967 1 64 GLU H 1 66 VAL H . . 3.820 3.910 3.910 3.910 0.090 1 0 "[ ]" 1
968 1 64 GLU HA 1 65 ALA H . . 3.520 3.602 3.602 3.602 0.082 1 0 "[ ]" 1
969 1 64 GLU HA 1 67 ILE HB . . 2.800 2.874 2.874 2.874 0.074 1 0 "[ ]" 1
970 1 64 GLU HA 1 68 LYS H . . 4.150 4.108 4.108 4.108 . 0 0 "[ ]" 1
971 1 64 GLU QB 1 65 ALA H . . 3.190 2.335 2.335 2.335 . 0 0 "[ ]" 1
972 1 64 GLU HB2 1 65 ALA H . . 3.370 2.411 2.411 2.411 . 0 0 "[ ]" 1
973 1 64 GLU HB3 1 65 ALA H . . 3.370 3.119 3.119 3.119 . 0 0 "[ ]" 1
974 1 64 GLU O 1 68 LYS H . . 2.300 2.015 2.015 2.015 . 0 0 "[ ]" 1
975 1 65 ALA H 1 65 ALA HA . . 2.860 2.850 2.850 2.850 . 0 0 "[ ]" 1
976 1 65 ALA H 1 65 ALA MB . . 3.430 2.256 2.256 2.256 . 0 0 "[ ]" 1
977 1 65 ALA H 1 66 VAL H . . 2.890 2.812 2.812 2.812 . 0 0 "[ ]" 1
978 1 65 ALA H 1 66 VAL MG2 . . 6.530 4.359 4.359 4.359 . 0 0 "[ ]" 1
979 1 65 ALA HA 1 68 LYS H . . 3.580 3.449 3.449 3.449 . 0 0 "[ ]" 1
980 1 65 ALA HA 1 68 LYS HB2 . . 3.760 2.275 2.275 2.275 . 0 0 "[ ]" 1
981 1 65 ALA HA 1 68 LYS QB . . 3.480 2.259 2.259 2.259 . 0 0 "[ ]" 1
982 1 65 ALA HA 1 68 LYS HB3 . . 3.760 3.823 3.823 3.823 0.063 1 0 "[ ]" 1
983 1 65 ALA MB 1 66 VAL H . . 3.990 2.906 2.906 2.906 . 0 0 "[ ]" 1
984 1 65 ALA O 1 69 GLU H . . 2.300 1.880 1.880 1.880 . 0 0 "[ ]" 1
985 1 66 VAL H 1 66 VAL HB . . 2.710 2.676 2.676 2.676 . 0 0 "[ ]" 1
986 1 66 VAL H 1 66 VAL MG2 . . 3.610 2.292 2.292 2.292 . 0 0 "[ ]" 1
987 1 66 VAL H 1 67 ILE H . . 3.010 2.687 2.687 2.687 . 0 0 "[ ]" 1
988 1 66 VAL HA 1 66 VAL MG1 . . 3.580 2.379 2.379 2.379 . 0 0 "[ ]" 1
989 1 66 VAL HA 1 66 VAL MG2 . . 3.520 2.557 2.557 2.557 . 0 0 "[ ]" 1
990 1 66 VAL HA 1 69 GLU H . . 3.460 3.145 3.145 3.145 . 0 0 "[ ]" 1
991 1 66 VAL HA 1 69 GLU HB2 . . 3.250 2.722 2.722 2.722 . 0 0 "[ ]" 1
992 1 66 VAL HA 1 69 GLU QB . . 2.950 2.607 2.607 2.607 . 0 0 "[ ]" 1
993 1 66 VAL HA 1 69 GLU HB3 . . 3.250 3.333 3.333 3.333 0.083 1 0 "[ ]" 1
994 1 66 VAL HA 1 69 GLU QG . . 4.670 4.246 4.246 4.246 . 0 0 "[ ]" 1
995 1 66 VAL HB 1 67 ILE H . . 2.800 2.711 2.711 2.711 . 0 0 "[ ]" 1
996 1 66 VAL HB 1 70 ILE MD . . 5.290 4.337 4.337 4.337 . 0 0 "[ ]" 1
997 1 66 VAL MG1 1 67 ILE H . . 4.390 3.574 3.574 3.574 . 0 0 "[ ]" 1
998 1 66 VAL MG1 1 67 ILE HA . . 4.510 3.488 3.488 3.488 . 0 0 "[ ]" 1
999 1 66 VAL O 1 70 ILE H . . 2.300 2.096 2.096 2.096 . 0 0 "[ ]" 1
1000 1 67 ILE H 1 67 ILE HB . . 2.590 2.163 2.163 2.163 . 0 0 "[ ]" 1
1001 1 67 ILE H 1 67 ILE MD . . 3.990 2.320 2.320 2.320 . 0 0 "[ ]" 1
1002 1 67 ILE H 1 67 ILE QG . . 4.040 3.706 3.706 3.706 . 0 0 "[ ]" 1
1003 1 67 ILE H 1 67 ILE MG . . 4.570 3.605 3.605 3.605 . 0 0 "[ ]" 1
1004 1 67 ILE H 1 68 LYS H . . 3.100 2.454 2.454 2.454 . 0 0 "[ ]" 1
1005 1 67 ILE HA 1 67 ILE HB . . 3.010 2.995 2.995 2.995 . 0 0 "[ ]" 1
1006 1 67 ILE HA 1 67 ILE MD . . 3.550 2.008 2.008 2.008 . 0 0 "[ ]" 1
1007 1 67 ILE HA 1 70 ILE H . . 3.220 3.273 3.273 3.273 0.053 1 0 "[ ]" 1
1008 1 67 ILE HA 1 70 ILE HB . . 2.800 2.465 2.465 2.465 . 0 0 "[ ]" 1
1009 1 67 ILE HA 1 70 ILE QG . . 3.830 2.801 2.801 2.801 . 0 0 "[ ]" 1
1010 1 67 ILE HA 1 71 LYS H . . 3.910 3.895 3.895 3.895 . 0 0 "[ ]" 1
1011 1 67 ILE HA 1 82 PHE QE . . 6.420 3.532 3.532 3.532 . 0 0 "[ ]" 1
1012 1 67 ILE HA 1 82 PHE HZ . . 3.790 2.453 2.453 2.453 . 0 0 "[ ]" 1
1013 1 67 ILE HB 1 68 LYS H . . 2.710 2.783 2.783 2.783 0.073 1 0 "[ ]" 1
1014 1 67 ILE MD 1 68 LYS H . . 4.760 3.945 3.945 3.945 . 0 0 "[ ]" 1
1015 1 67 ILE MD 1 71 LYS H . . 6.530 5.393 5.393 5.393 . 0 0 "[ ]" 1
1016 1 67 ILE MD 1 82 PHE QD . . 8.650 5.332 5.332 5.332 . 0 0 "[ ]" 1
1017 1 67 ILE MD 1 82 PHE QE . . 7.130 3.859 3.859 3.859 . 0 0 "[ ]" 1
1018 1 67 ILE MD 1 82 PHE HZ . . 5.850 3.169 3.169 3.169 . 0 0 "[ ]" 1
1019 1 67 ILE MG 1 82 PHE QE . . 8.650 2.220 2.220 2.220 . 0 0 "[ ]" 1
1020 1 67 ILE MG 1 82 PHE HZ . . 6.530 3.357 3.357 3.357 . 0 0 "[ ]" 1
1021 1 67 ILE O 1 71 LYS H . . 2.300 1.830 1.830 1.830 . 0 0 "[ ]" 1
1022 1 68 LYS H 1 68 LYS HA . . 2.890 2.961 2.961 2.961 0.071 1 0 "[ ]" 1
1023 1 68 LYS H 1 68 LYS QB . . 3.450 2.631 2.631 2.631 . 0 0 "[ ]" 1
1024 1 68 LYS H 1 68 LYS QD . . 5.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
1025 1 68 LYS H 1 68 LYS HG2 . . 3.220 3.310 3.310 3.310 0.090 1 0 "[ ]" 1
1026 1 68 LYS H 1 68 LYS HG3 . . 3.220 2.248 2.248 2.248 . 0 0 "[ ]" 1
1027 1 68 LYS H 1 69 GLU H . . 2.980 3.066 3.066 3.066 0.086 1 0 "[ ]" 1
1028 1 68 LYS HA 1 68 LYS QD . . 4.340 3.972 3.972 3.972 . 0 0 "[ ]" 1
1029 1 68 LYS HA 1 68 LYS HG2 . . 3.100 2.406 2.406 2.406 . 0 0 "[ ]" 1
1030 1 68 LYS HA 1 68 LYS QG . . 2.810 2.331 2.331 2.331 . 0 0 "[ ]" 1
1031 1 68 LYS HA 1 68 LYS HG3 . . 3.100 3.123 3.123 3.123 0.023 1 0 "[ ]" 1
1032 1 68 LYS HA 1 70 ILE H . . 5.500 3.991 3.991 3.991 . 0 0 "[ ]" 1
1033 1 68 LYS HA 1 72 GLU H . . 3.580 3.677 3.677 3.677 0.097 1 0 "[ ]" 1
1034 1 68 LYS QB 1 69 GLU H . . 3.050 2.457 2.457 2.457 . 0 0 "[ ]" 1
1035 1 68 LYS HB2 1 69 GLU H . . 3.400 2.512 2.512 2.512 . 0 0 "[ ]" 1
1036 1 68 LYS HB3 1 69 GLU H . . 3.400 3.474 3.474 3.474 0.074 1 0 "[ ]" 1
1037 1 68 LYS O 1 72 GLU H . . 2.300 1.702 1.702 1.702 . 0 0 "[ ]" 1
1038 1 69 GLU H 1 69 GLU HB2 . . 2.890 1.872 1.872 1.872 . 0 0 "[ ]" 1
1039 1 69 GLU H 1 69 GLU QB . . 2.690 1.854 1.854 1.854 . 0 0 "[ ]" 1
1040 1 69 GLU H 1 69 GLU HB3 . . 2.890 2.985 2.985 2.985 0.095 1 0 "[ ]" 1
1041 1 69 GLU H 1 69 GLU QG . . 3.770 3.396 3.396 3.396 . 0 0 "[ ]" 1
1042 1 69 GLU H 1 70 ILE H . . 3.070 2.830 2.830 2.830 . 0 0 "[ ]" 1
1043 1 69 GLU HA 1 72 GLU H . . 3.520 3.031 3.031 3.031 . 0 0 "[ ]" 1
1044 1 69 GLU QB 1 70 ILE H . . 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 1
1045 1 69 GLU HB2 1 70 ILE H . . 3.490 3.586 3.586 3.586 0.096 1 0 "[ ]" 1
1046 1 69 GLU HB3 1 70 ILE H . . 3.490 3.247 3.247 3.247 . 0 0 "[ ]" 1
1047 1 69 GLU QG 1 70 ILE H . . 5.840 4.838 4.838 4.838 . 0 0 "[ ]" 1
1048 1 69 GLU O 1 73 TRP H . . 2.300 1.796 1.796 1.796 . 0 0 "[ ]" 1
1049 1 70 ILE H 1 70 ILE HB . . 2.590 2.277 2.277 2.277 . 0 0 "[ ]" 1
1050 1 70 ILE H 1 70 ILE QG . . 3.440 2.966 2.966 2.966 . 0 0 "[ ]" 1
1051 1 70 ILE H 1 70 ILE MG . . 4.140 3.610 3.610 3.610 . 0 0 "[ ]" 1
1052 1 70 ILE H 1 71 LYS H . . 3.070 2.600 2.600 2.600 . 0 0 "[ ]" 1
1053 1 70 ILE H 1 72 GLU H . . 3.580 3.686 3.686 3.686 0.106 1 0 "[ ]" 1
1054 1 70 ILE HA 1 70 ILE HG12 . . 3.250 3.359 3.359 3.359 0.109 1 0 "[ ]" 1
1055 1 70 ILE HA 1 70 ILE QG . . 3.040 2.862 2.862 2.862 . 0 0 "[ ]" 1
1056 1 70 ILE HA 1 70 ILE HG13 . . 3.250 3.102 3.102 3.102 . 0 0 "[ ]" 1
1057 1 70 ILE HA 1 73 TRP H . . 3.880 3.939 3.939 3.939 0.059 1 0 "[ ]" 1
1058 1 70 ILE HA 1 73 TRP HB3 . . 3.850 3.084 3.084 3.084 . 0 0 "[ ]" 1
1059 1 70 ILE HA 1 74 ARG H . . 4.690 3.803 3.803 3.803 . 0 0 "[ ]" 1
1060 1 70 ILE HB 1 71 LYS H . . 2.890 2.606 2.606 2.606 . 0 0 "[ ]" 1
1061 1 70 ILE HB 1 82 PHE QE . . 6.060 3.371 3.371 3.371 . 0 0 "[ ]" 1
1062 1 70 ILE HB 1 82 PHE HZ . . 3.880 2.226 2.226 2.226 . 0 0 "[ ]" 1
1063 1 70 ILE QG 1 71 LYS H . . 5.450 4.290 4.290 4.290 . 0 0 "[ ]" 1
1064 1 70 ILE QG 1 82 PHE QE . . 6.940 3.765 3.765 3.765 . 0 0 "[ ]" 1
1065 1 70 ILE QG 1 82 PHE HZ . . 4.040 3.191 3.191 3.191 . 0 0 "[ ]" 1
1066 1 70 ILE MG 1 71 LYS H . . 5.600 3.022 3.022 3.022 . 0 0 "[ ]" 1
1067 1 70 ILE MG 1 74 ARG HD2 . . 5.810 4.665 4.665 4.665 . 0 0 "[ ]" 1
1068 1 70 ILE MG 1 74 ARG QD . . 5.050 3.408 3.408 3.408 . 0 0 "[ ]" 1
1069 1 70 ILE MG 1 74 ARG HD3 . . 5.810 3.502 3.502 3.502 . 0 0 "[ ]" 1
1070 1 70 ILE MG 1 82 PHE QE . . 6.390 2.442 2.442 2.442 . 0 0 "[ ]" 1
1071 1 70 ILE MG 1 82 PHE HZ . . 3.640 2.463 2.463 2.463 . 0 0 "[ ]" 1
1072 1 70 ILE O 1 74 ARG H . . 2.300 1.926 1.926 1.926 . 0 0 "[ ]" 1
1073 1 71 LYS H 1 71 LYS QB . . 3.890 2.664 2.664 2.664 . 0 0 "[ ]" 1
1074 1 71 LYS H 1 71 LYS QD . . 3.770 3.344 3.344 3.344 . 0 0 "[ ]" 1
1075 1 71 LYS H 1 71 LYS QG . . 4.220 2.148 2.148 2.148 . 0 0 "[ ]" 1
1076 1 71 LYS H 1 72 GLU H . . 3.070 3.018 3.018 3.018 . 0 0 "[ ]" 1
1077 1 71 LYS H 1 82 PHE QE . . 6.450 3.116 3.116 3.116 . 0 0 "[ ]" 1
1078 1 71 LYS HA 1 71 LYS QG . . 3.380 3.068 3.068 3.068 . 0 0 "[ ]" 1
1079 1 71 LYS HA 1 74 ARG H . . 3.850 3.937 3.937 3.937 0.087 1 0 "[ ]" 1
1080 1 71 LYS HA 1 75 ALA H . . 3.970 3.937 3.937 3.937 . 0 0 "[ ]" 1
1081 1 71 LYS HA 1 82 PHE QD . . 6.810 4.711 4.711 4.711 . 0 0 "[ ]" 1
1082 1 71 LYS HA 1 82 PHE QE . . 6.060 4.183 4.183 4.183 . 0 0 "[ ]" 1
1083 1 71 LYS QB 1 72 GLU H . . 4.190 2.283 2.283 2.283 . 0 0 "[ ]" 1
1084 1 71 LYS QD 1 82 PHE QE . . 6.460 2.561 2.561 2.561 . 0 0 "[ ]" 1
1085 1 71 LYS QG 1 72 GLU H . . 5.900 3.872 3.872 3.872 . 0 0 "[ ]" 1
1086 1 71 LYS QG 1 82 PHE QD . . 6.280 3.663 3.663 3.663 . 0 0 "[ ]" 1
1087 1 71 LYS QG 1 82 PHE QE . . 6.550 2.226 2.226 2.226 . 0 0 "[ ]" 1
1088 1 72 GLU H 1 72 GLU HA . . 2.710 2.777 2.777 2.777 0.067 1 0 "[ ]" 1
1089 1 72 GLU H 1 72 GLU HB2 . . 2.740 1.764 1.764 1.764 . 0 0 "[ ]" 1
1090 1 72 GLU H 1 72 GLU HB3 . . 2.740 2.844 2.844 2.844 0.104 1 0 "[ ]" 1
1091 1 72 GLU H 1 72 GLU QG . . 3.860 3.604 3.604 3.604 . 0 0 "[ ]" 1
1092 1 72 GLU H 1 73 TRP H . . 3.250 2.769 2.769 2.769 . 0 0 "[ ]" 1
1093 1 72 GLU HA 1 72 GLU HB2 . . 2.830 2.872 2.872 2.872 0.042 1 0 "[ ]" 1
1094 1 72 GLU HA 1 72 GLU HB3 . . 2.830 2.884 2.884 2.884 0.054 1 0 "[ ]" 1
1095 1 72 GLU HA 1 72 GLU QG . . 3.770 2.416 2.416 2.416 . 0 0 "[ ]" 1
1096 1 72 GLU HA 1 75 ALA H . . 3.430 3.477 3.477 3.477 0.047 1 0 "[ ]" 1
1097 1 72 GLU HA 1 75 ALA MB . . 4.450 2.820 2.820 2.820 . 0 0 "[ ]" 1
1098 1 72 GLU QB 1 73 TRP H . . 3.920 2.704 2.704 2.704 . 0 0 "[ ]" 1
1099 1 72 GLU QB 1 75 ALA MB . . 7.410 4.719 4.719 4.719 . 0 0 "[ ]" 1
1100 1 73 TRP H 1 73 TRP HA . . 2.830 2.788 2.788 2.788 . 0 0 "[ ]" 1
1101 1 73 TRP H 1 73 TRP HB2 . . 2.890 2.401 2.401 2.401 . 0 0 "[ ]" 1
1102 1 73 TRP H 1 73 TRP HB3 . . 3.100 2.594 2.594 2.594 . 0 0 "[ ]" 1
1103 1 73 TRP H 1 74 ARG H . . 3.310 3.038 3.038 3.038 . 0 0 "[ ]" 1
1104 1 73 TRP HA 1 73 TRP HB2 . . 2.710 2.426 2.426 2.426 . 0 0 "[ ]" 1
1105 1 73 TRP HA 1 73 TRP HD1 . . 2.920 2.992 2.992 2.992 0.072 1 0 "[ ]" 1
1106 1 73 TRP HA 1 76 ALA H . . 3.670 3.739 3.739 3.739 0.069 1 0 "[ ]" 1
1107 1 73 TRP HA 1 76 ALA MB . . 5.810 2.716 2.716 2.716 . 0 0 "[ ]" 1
1108 1 73 TRP HA 1 77 ASN H . . 3.700 3.785 3.785 3.785 0.085 1 0 "[ ]" 1
1109 1 73 TRP HA 1 77 ASN QD . . 4.960 2.844 2.844 2.844 . 0 0 "[ ]" 1
1110 1 73 TRP HB2 1 73 TRP HD1 . . 2.950 2.549 2.549 2.549 . 0 0 "[ ]" 1
1111 1 73 TRP HB2 1 74 ARG H . . 3.970 3.989 3.989 3.989 0.019 1 0 "[ ]" 1
1112 1 73 TRP HB3 1 73 TRP HE3 . . 2.890 2.526 2.526 2.526 . 0 0 "[ ]" 1
1113 1 73 TRP HB3 1 74 ARG H . . 3.370 2.596 2.596 2.596 . 0 0 "[ ]" 1
1114 1 73 TRP HD1 1 76 ALA MB . . 6.530 4.723 4.723 4.723 . 0 0 "[ ]" 1
1115 1 73 TRP HD1 1 77 ASN QD . . 5.050 3.217 3.217 3.217 . 0 0 "[ ]" 1
1116 1 73 TRP HE1 1 77 ASN QD . . 5.140 2.687 2.687 2.687 . 0 0 "[ ]" 1
1117 1 73 TRP HE3 1 74 ARG HA . . 3.250 2.651 2.651 2.651 . 0 0 "[ ]" 1
1118 1 73 TRP HE3 1 74 ARG QB . . 4.130 3.825 3.825 3.825 . 0 0 "[ ]" 1
1119 1 73 TRP HE3 1 74 ARG HD2 . . 3.850 2.393 2.393 2.393 . 0 0 "[ ]" 1
1120 1 73 TRP HE3 1 74 ARG QD . . 3.370 2.260 2.260 2.260 . 0 0 "[ ]" 1
1121 1 73 TRP HE3 1 74 ARG HD3 . . 3.850 2.776 2.776 2.776 . 0 0 "[ ]" 1
1122 1 73 TRP HE3 1 74 ARG QG . . 4.130 2.104 2.104 2.104 . 0 0 "[ ]" 1
1123 1 73 TRP HH2 1 74 ARG QD . . 4.400 4.012 4.012 4.012 . 0 0 "[ ]" 1
1124 1 73 TRP HZ3 1 74 ARG HA . . 4.030 3.695 3.695 3.695 . 0 0 "[ ]" 1
1125 1 73 TRP HZ3 1 74 ARG QD . . 4.520 1.993 1.993 1.993 . 0 0 "[ ]" 1
1126 1 73 TRP HZ3 1 74 ARG QG . . 4.580 3.638 3.638 3.638 . 0 0 "[ ]" 1
1127 1 74 ARG H 1 74 ARG HB2 . . 3.520 2.375 2.375 2.375 . 0 0 "[ ]" 1
1128 1 74 ARG H 1 74 ARG QB . . 3.030 2.341 2.341 2.341 . 0 0 "[ ]" 1
1129 1 74 ARG H 1 74 ARG HB3 . . 3.520 3.548 3.548 3.548 0.028 1 0 "[ ]" 1
1130 1 74 ARG H 1 74 ARG QD . . 4.130 3.747 3.747 3.747 . 0 0 "[ ]" 1
1131 1 74 ARG H 1 74 ARG HG2 . . 3.190 2.213 2.213 2.213 . 0 0 "[ ]" 1
1132 1 74 ARG H 1 74 ARG QG . . 2.910 2.180 2.180 2.180 . 0 0 "[ ]" 1
1133 1 74 ARG H 1 74 ARG HG3 . . 3.190 3.281 3.281 3.281 0.091 1 0 "[ ]" 1
1134 1 74 ARG H 1 75 ALA H . . 3.190 2.800 2.800 2.800 . 0 0 "[ ]" 1
1135 1 74 ARG H 1 75 ALA MB . . 6.530 4.429 4.429 4.429 . 0 0 "[ ]" 1
1136 1 74 ARG H 1 76 ALA H . . 5.500 4.265 4.265 4.265 . 0 0 "[ ]" 1
1137 1 74 ARG H 1 76 ALA MB . . 6.530 4.958 4.958 4.958 . 0 0 "[ ]" 1
1138 1 74 ARG HA 1 74 ARG QD . . 3.740 2.276 2.276 2.276 . 0 0 "[ ]" 1
1139 1 74 ARG HA 1 74 ARG QG . . 3.460 2.730 2.730 2.730 . 0 0 "[ ]" 1
1140 1 74 ARG HA 1 75 ALA MB . . 6.530 5.055 5.055 5.055 . 0 0 "[ ]" 1
1141 1 74 ARG HA 1 77 ASN H . . 3.790 3.599 3.599 3.599 . 0 0 "[ ]" 1
1142 1 74 ARG HA 1 77 ASN QB . . 5.000 2.511 2.511 2.511 . 0 0 "[ ]" 1
1143 1 74 ARG QB 1 75 ALA H . . 3.300 2.505 2.505 2.505 . 0 0 "[ ]" 1
1144 1 74 ARG HB2 1 75 ALA H . . 3.730 2.560 2.560 2.560 . 0 0 "[ ]" 1
1145 1 74 ARG HB3 1 75 ALA H . . 3.730 3.561 3.561 3.561 . 0 0 "[ ]" 1
1146 1 75 ALA H 1 75 ALA HA . . 2.680 2.767 2.767 2.767 0.087 1 0 "[ ]" 1
1147 1 75 ALA H 1 75 ALA MB . . 3.430 2.191 2.191 2.191 . 0 0 "[ ]" 1
1148 1 75 ALA H 1 76 ALA H . . 2.980 2.825 2.825 2.825 . 0 0 "[ ]" 1
1149 1 75 ALA H 1 76 ALA MB . . 6.530 4.481 4.481 4.481 . 0 0 "[ ]" 1
1150 1 75 ALA H 1 77 ASN H . . 4.690 4.277 4.277 4.277 . 0 0 "[ ]" 1
1151 1 75 ALA HA 1 78 GLY H . . 3.580 3.243 3.243 3.243 . 0 0 "[ ]" 1
1152 1 75 ALA HA 1 79 LYS H . . 2.920 3.003 3.003 3.003 0.083 1 0 "[ ]" 1
1153 1 75 ALA MB 1 76 ALA H . . 3.640 2.691 2.691 2.691 . 0 0 "[ ]" 1
1154 1 75 ALA MB 1 78 GLY H . . 6.530 4.282 4.282 4.282 . 0 0 "[ ]" 1
1155 1 76 ALA H 1 76 ALA MB . . 3.430 2.223 2.223 2.223 . 0 0 "[ ]" 1
1156 1 76 ALA H 1 77 ASN H . . 2.740 2.730 2.730 2.730 . 0 0 "[ ]" 1
1157 1 76 ALA H 1 77 ASN QD . . 6.370 4.170 4.170 4.170 . 0 0 "[ ]" 1
1158 1 76 ALA H 1 78 GLY H . . 5.050 3.888 3.888 3.888 . 0 0 "[ ]" 1
1159 1 76 ALA HA 1 78 GLY H . . 4.150 3.613 3.613 3.613 . 0 0 "[ ]" 1
1160 1 76 ALA MB 1 77 ASN H . . 4.020 2.554 2.554 2.554 . 0 0 "[ ]" 1
1161 1 76 ALA MB 1 77 ASN QD . . 6.460 2.886 2.886 2.886 . 0 0 "[ ]" 1
1162 1 76 ALA MB 1 78 GLY H . . 6.530 4.220 4.220 4.220 . 0 0 "[ ]" 1
1163 1 77 ASN H 1 77 ASN HB2 . . 3.280 2.155 2.155 2.155 . 0 0 "[ ]" 1
1164 1 77 ASN H 1 77 ASN QB . . 2.990 2.132 2.132 2.132 . 0 0 "[ ]" 1
1165 1 77 ASN H 1 77 ASN HB3 . . 3.280 3.373 3.373 3.373 0.093 1 0 "[ ]" 1
1166 1 77 ASN H 1 77 ASN QD . . 4.150 2.216 2.216 2.216 . 0 0 "[ ]" 1
1167 1 77 ASN H 1 78 GLY H . . 3.010 2.849 2.849 2.849 . 0 0 "[ ]" 1
1168 1 77 ASN H 1 78 GLY QA . . 5.600 4.689 4.689 4.689 . 0 0 "[ ]" 1
1169 1 77 ASN H 1 79 LYS H . . 4.270 3.985 3.985 3.985 . 0 0 "[ ]" 1
1170 1 77 ASN HA 1 78 GLY H . . 3.550 3.419 3.419 3.419 . 0 0 "[ ]" 1
1171 1 78 GLY H 1 79 LYS H . . 3.070 2.643 2.643 2.643 . 0 0 "[ ]" 1
1172 1 79 LYS H 1 79 LYS HB2 . . 3.370 2.396 2.396 2.396 . 0 0 "[ ]" 1
1173 1 79 LYS H 1 79 LYS QB . . 3.030 2.355 2.355 2.355 . 0 0 "[ ]" 1
1174 1 79 LYS H 1 79 LYS HB3 . . 3.370 3.465 3.465 3.465 0.095 1 0 "[ ]" 1
1175 1 79 LYS H 1 79 LYS QD . . 5.420 3.897 3.897 3.897 . 0 0 "[ ]" 1
1176 1 79 LYS H 1 79 LYS QE . . 5.060 4.340 4.340 4.340 . 0 0 "[ ]" 1
1177 1 79 LYS H 1 79 LYS HG2 . . 3.130 3.215 3.215 3.215 0.085 1 0 "[ ]" 1
1178 1 79 LYS H 1 79 LYS QG . . 2.910 2.186 2.186 2.186 . 0 0 "[ ]" 1
1179 1 79 LYS H 1 79 LYS HG3 . . 3.130 2.224 2.224 2.224 . 0 0 "[ ]" 1
1180 1 79 LYS H 1 80 SER H . . 5.350 4.500 4.500 4.500 . 0 0 "[ ]" 1
1181 1 79 LYS HA 1 79 LYS QG . . 3.510 2.491 2.491 2.491 . 0 0 "[ ]" 1
1182 1 79 LYS HA 1 80 SER H . . 2.650 2.433 2.433 2.433 . 0 0 "[ ]" 1
1183 1 79 LYS QB 1 80 SER H . . 3.390 2.534 2.534 2.534 . 0 0 "[ ]" 1
1184 1 79 LYS HB2 1 80 SER H . . 3.820 3.585 3.585 3.585 . 0 0 "[ ]" 1
1185 1 79 LYS HB3 1 80 SER H . . 3.820 2.591 2.591 2.591 . 0 0 "[ ]" 1
1186 1 79 LYS QG 1 80 SER H . . 6.260 4.153 4.153 4.153 . 0 0 "[ ]" 1
1187 1 80 SER H 1 81 GLY H . . 4.600 4.529 4.529 4.529 . 0 0 "[ ]" 1
1188 1 80 SER HA 1 81 GLY H . . 2.500 2.177 2.177 2.177 . 0 0 "[ ]" 1
1189 1 80 SER QB 1 81 GLY H . . 4.160 3.293 3.293 3.293 . 0 0 "[ ]" 1
1190 1 81 GLY H 1 82 PHE H . . 4.240 4.310 4.310 4.310 0.070 1 0 "[ ]" 1
1191 1 81 GLY QA 1 82 PHE QD . . 8.500 3.984 3.984 3.984 . 0 0 "[ ]" 1
1192 1 81 GLY HA2 1 82 PHE H . . 2.740 2.456 2.456 2.456 . 0 0 "[ ]" 1
1193 1 81 GLY HA3 1 82 PHE H . . 2.740 2.817 2.817 2.817 0.077 1 0 "[ ]" 1
1194 1 82 PHE H 1 82 PHE HB2 . . 3.400 2.984 2.984 2.984 . 0 0 "[ ]" 1
1195 1 82 PHE H 1 82 PHE QB . . 3.020 2.817 2.817 2.817 . 0 0 "[ ]" 1
1196 1 82 PHE H 1 82 PHE HB3 . . 3.400 3.459 3.459 3.459 0.059 1 0 "[ ]" 1
1197 1 82 PHE H 1 82 PHE QE . . 7.170 3.858 3.858 3.858 . 0 0 "[ ]" 1
1198 1 82 PHE H 1 83 LYS H . . 4.480 4.446 4.446 4.446 . 0 0 "[ ]" 1
1199 1 82 PHE HA 1 83 LYS H . . 2.620 2.627 2.627 2.627 0.007 1 0 "[ ]" 1
1200 1 82 PHE QB 1 83 LYS H . . 3.200 2.146 2.146 2.146 . 0 0 "[ ]" 1
1201 1 82 PHE HB2 1 83 LYS H . . 3.550 2.515 2.515 2.515 . 0 0 "[ ]" 1
1202 1 82 PHE HB3 1 83 LYS H . . 3.550 2.327 2.327 2.327 . 0 0 "[ ]" 1
1203 1 82 PHE QD 1 83 LYS H . . 5.940 4.202 4.202 4.202 . 0 0 "[ ]" 1
1204 1 82 PHE QD 1 83 LYS QB . . 8.500 4.745 4.745 4.745 . 0 0 "[ ]" 1
1205 1 83 LYS H 1 83 LYS HA . . 2.800 2.675 2.675 2.675 . 0 0 "[ ]" 1
1206 1 83 LYS H 1 83 LYS HB2 . . 2.620 1.842 1.842 1.842 . 0 0 "[ ]" 1
1207 1 83 LYS H 1 83 LYS QB . . 2.410 1.814 1.814 1.814 . 0 0 "[ ]" 1
1208 1 83 LYS H 1 83 LYS HB3 . . 2.620 2.717 2.717 2.717 0.097 1 0 "[ ]" 1
1209 1 83 LYS H 1 83 LYS QD . . 4.880 3.625 3.625 3.625 . 0 0 "[ ]" 1
1210 1 83 LYS H 1 83 LYS QE . . 5.360 3.013 3.013 3.013 . 0 0 "[ ]" 1
1211 1 83 LYS HA 1 83 LYS QB . . 2.640 2.521 2.521 2.521 . 0 0 "[ ]" 1
1212 1 83 LYS HA 1 84 GLN H . . 2.830 2.367 2.367 2.367 . 0 0 "[ ]" 1
1213 1 83 LYS QB 1 84 GLN H . . 3.920 3.433 3.433 3.433 . 0 0 "[ ]" 1
1214 1 83 LYS QE 1 84 GLN H . . 5.600 5.066 5.066 5.066 . 0 0 "[ ]" 1
1215 1 84 GLN H 1 84 GLN HB2 . . 2.620 2.038 2.038 2.038 . 0 0 "[ ]" 1
1216 1 84 GLN H 1 84 GLN QB . . 2.410 1.963 1.963 1.963 . 0 0 "[ ]" 1
1217 1 84 GLN H 1 84 GLN HB3 . . 2.620 2.567 2.567 2.567 . 0 0 "[ ]" 1
1218 1 84 GLN H 1 84 GLN QG . . 3.920 3.657 3.657 3.657 . 0 0 "[ ]" 1
1219 1 84 GLN H 1 85 GLY H . . 3.430 3.480 3.480 3.480 0.050 1 0 "[ ]" 1
1220 1 84 GLN HA 1 85 GLY H . . 2.500 2.580 2.580 2.580 0.080 1 0 "[ ]" 1
1221 1 84 GLN QB 1 85 GLY H . . 4.460 3.931 3.931 3.931 . 0 0 "[ ]" 1
1222 1 84 GLN QG 1 85 GLY H . . 5.540 4.223 4.223 4.223 . 0 0 "[ ]" 1
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