NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
372463 |
1daq   |
4524 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1daq
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 792
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 12.115
_Distance_constraint_stats_list.Viol_max 2.944
_Distance_constraint_stats_list.Viol_rms 0.1394
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0153
_Distance_constraint_stats_list.Viol_average_violations_only 0.3029
_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 4 LYS 0.000 0.000 . 0 "[ ]"
1 5 LEU 1.576 1.530 1 1 [+]
1 6 TYR 0.090 0.090 1 0 "[ ]"
1 7 GLY 0.000 0.000 . 0 "[ ]"
1 8 ASP 1.790 1.530 1 1 [+]
1 9 VAL 0.373 0.292 1 0 "[ ]"
1 10 ASN 0.096 0.093 1 0 "[ ]"
1 11 ASP 0.000 0.000 . 0 "[ ]"
1 12 ASP 0.030 0.030 1 0 "[ ]"
1 13 GLY 0.000 0.000 . 0 "[ ]"
1 14 LYS 1.335 1.112 1 1 [+]
1 15 VAL 0.629 0.464 1 0 "[ ]"
1 16 ASN 0.738 0.544 1 1 [+]
1 17 SER 0.017 0.017 1 0 "[ ]"
1 18 THR 1.112 1.112 1 1 [+]
1 19 ASP 0.039 0.022 1 0 "[ ]"
1 20 ALA 1.233 1.233 1 1 [+]
1 21 VAL 0.090 0.090 1 0 "[ ]"
1 22 ALA 0.000 0.000 . 0 "[ ]"
1 23 LEU 1.233 1.233 1 1 [+]
1 24 LYS 0.081 0.081 1 0 "[ ]"
1 25 ARG 0.183 0.092 1 0 "[ ]"
1 26 TYR 0.257 0.165 1 0 "[ ]"
1 27 VAL 0.179 0.179 1 0 "[ ]"
1 28 LEU 0.383 0.179 1 0 "[ ]"
1 29 ARG 0.123 0.123 1 0 "[ ]"
1 31 GLY 0.000 0.000 . 0 "[ ]"
1 32 ILE 0.160 0.160 1 0 "[ ]"
1 33 SER 0.000 0.000 . 0 "[ ]"
1 34 ILE 0.153 0.093 1 0 "[ ]"
1 35 ASN 0.292 0.292 1 0 "[ ]"
1 36 THR 0.065 0.065 1 0 "[ ]"
1 37 ASP 0.065 0.065 1 0 "[ ]"
1 38 ASN 0.000 0.000 . 0 "[ ]"
1 39 ALA 0.000 0.000 . 0 "[ ]"
1 40 ASP 2.949 2.944 1 1 [+]
1 41 LEU 0.000 0.000 . 0 "[ ]"
1 42 ASN 0.000 0.000 . 0 "[ ]"
1 43 GLU 0.122 0.122 1 0 "[ ]"
1 44 ASP 0.000 0.000 . 0 "[ ]"
1 45 GLY 0.122 0.122 1 0 "[ ]"
1 46 ARG 0.517 0.464 1 0 "[ ]"
1 47 VAL 0.000 0.000 . 0 "[ ]"
1 48 ASN 0.062 0.062 1 0 "[ ]"
1 49 SER 0.000 0.000 . 0 "[ ]"
1 50 THR 0.000 0.000 . 0 "[ ]"
1 51 ASP 0.089 0.062 1 0 "[ ]"
1 52 LEU 1.706 0.805 1 1 [+]
1 53 GLY 0.044 0.044 1 0 "[ ]"
1 54 ILE 1.045 0.805 1 1 [+]
1 55 LEU 3.184 2.944 1 1 [+]
1 56 LYS 0.017 0.017 1 0 "[ ]"
1 57 ARG 0.089 0.089 1 0 "[ ]"
1 58 TYR 0.086 0.086 1 0 "[ ]"
1 59 ILE 0.000 0.000 . 0 "[ ]"
1 60 LEU 0.000 0.000 . 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 GLU 0.000 0.000 . 0 "[ ]"
1 63 ILE 0.104 0.104 1 0 "[ ]"
1 64 ASP 0.104 0.104 1 0 "[ ]"
1 65 THR 0.000 0.000 . 0 "[ ]"
1 66 LEU 0.349 0.349 1 0 "[ ]"
1 68 TYR 0.349 0.349 1 0 "[ ]"
2 1 CA 0.191 0.171 1 0 "[ ]"
3 1 CA 0.085 0.053 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 4 LYS H 1 5 LEU H . . 5.570 4.102 4.102 4.102 . 0 0 "[ ]" 1
2 1 4 LYS HA 1 5 LEU H . . 2.720 2.180 2.180 2.180 . 0 0 "[ ]" 1
3 1 4 LYS HA 1 5 LEU QD . . 8.600 2.949 2.949 2.949 . 0 0 "[ ]" 1
4 1 5 LEU H 1 5 LEU HG . . 4.240 3.804 3.804 3.804 . 0 0 "[ ]" 1
5 1 5 LEU H 1 8 ASP QB . . 4.920 6.450 6.450 6.450 1.530 1 1 [+] 1
6 1 5 LEU H 1 38 ASN QD . . 6.870 5.869 5.869 5.869 . 0 0 "[ ]" 1
7 1 5 LEU H 1 63 ILE QG . . 6.880 5.212 5.212 5.212 . 0 0 "[ ]" 1
8 1 5 LEU HA 1 5 LEU HG . . 3.770 3.816 3.816 3.816 0.046 1 0 "[ ]" 1
9 1 5 LEU HA 1 63 ILE HB . . 6.000 5.509 5.509 5.509 . 0 0 "[ ]" 1
10 1 5 LEU HA 1 63 ILE MD . . 7.030 1.964 1.964 1.964 . 0 0 "[ ]" 1
11 1 5 LEU HA 1 63 ILE QG . . 6.880 3.821 3.821 3.821 . 0 0 "[ ]" 1
12 1 5 LEU HA 1 63 ILE MG . . 7.030 5.775 5.775 5.775 . 0 0 "[ ]" 1
13 1 5 LEU QB 1 6 TYR H . . 6.190 2.827 2.827 2.827 . 0 0 "[ ]" 1
14 1 5 LEU QB 1 8 ASP H . . 5.760 4.718 4.718 4.718 . 0 0 "[ ]" 1
15 1 5 LEU QB 1 8 ASP QB . . 7.540 3.264 3.264 3.264 . 0 0 "[ ]" 1
16 1 5 LEU QB 1 38 ASN HD21 . . 6.880 5.995 5.995 5.995 . 0 0 "[ ]" 1
17 1 5 LEU QB 1 38 ASN HD22 . . 6.880 5.989 5.989 5.989 . 0 0 "[ ]" 1
18 1 5 LEU QD 1 6 TYR H . . 7.660 4.038 4.038 4.038 . 0 0 "[ ]" 1
19 1 5 LEU QD 1 6 TYR HA . . 8.600 4.081 4.081 4.081 . 0 0 "[ ]" 1
20 1 5 LEU QD 1 6 TYR QB . . 9.470 4.529 4.529 4.529 . 0 0 "[ ]" 1
21 1 5 LEU QD 1 6 TYR QD . . 10.740 5.192 5.192 5.192 . 0 0 "[ ]" 1
22 1 5 LEU QD 1 7 GLY QA . . 9.470 5.572 5.572 5.572 . 0 0 "[ ]" 1
23 1 5 LEU QD 1 8 ASP H . . 6.730 4.373 4.373 4.373 . 0 0 "[ ]" 1
24 1 5 LEU QD 1 8 ASP QB . . 7.360 2.728 2.728 2.728 . 0 0 "[ ]" 1
25 1 5 LEU QD 1 13 GLY H . . 8.380 3.919 3.919 3.919 . 0 0 "[ ]" 1
26 1 5 LEU QD 1 13 GLY QA . . 9.470 3.029 3.029 3.029 . 0 0 "[ ]" 1
27 1 5 LEU MD1 1 8 ASP QB . . 9.190 2.751 2.751 2.751 . 0 0 "[ ]" 1
28 1 5 LEU MD2 1 8 ASP QB . . 9.190 4.497 4.497 4.497 . 0 0 "[ ]" 1
29 1 5 LEU HG 1 6 TYR H . . 5.350 3.968 3.968 3.968 . 0 0 "[ ]" 1
30 1 5 LEU HG 1 8 ASP H . . 4.920 4.390 4.390 4.390 . 0 0 "[ ]" 1
31 1 5 LEU HG 1 14 LYS HA . . 5.530 5.308 5.308 5.308 . 0 0 "[ ]" 1
32 1 5 LEU HG 1 38 ASN QD . . 6.870 4.281 4.281 4.281 . 0 0 "[ ]" 1
33 1 6 TYR H 1 6 TYR QE . . 6.870 6.405 6.405 6.405 . 0 0 "[ ]" 1
34 1 6 TYR H 1 7 GLY H . . 4.240 3.893 3.893 3.893 . 0 0 "[ ]" 1
35 1 6 TYR H 1 14 LYS QG . . 6.880 5.258 5.258 5.258 . 0 0 "[ ]" 1
36 1 6 TYR H 1 15 VAL QG . . 8.590 5.658 5.658 5.658 . 0 0 "[ ]" 1
37 1 6 TYR H 1 66 LEU QD . . 8.600 4.880 4.880 4.880 . 0 0 "[ ]" 1
38 1 6 TYR HA 1 7 GLY H . . 2.760 2.209 2.209 2.209 . 0 0 "[ ]" 1
39 1 6 TYR HA 1 8 ASP H . . 4.270 4.360 4.360 4.360 0.090 1 0 "[ ]" 1
40 1 6 TYR HA 1 38 ASN QB . . 6.880 3.756 3.756 3.756 . 0 0 "[ ]" 1
41 1 6 TYR HA 1 38 ASN QD . . 6.870 2.248 2.248 2.248 . 0 0 "[ ]" 1
42 1 6 TYR HA 1 41 LEU QD . . 8.600 5.241 5.241 5.241 . 0 0 "[ ]" 1
43 1 6 TYR QB 1 38 ASN QD . . 7.740 3.995 3.995 3.995 . 0 0 "[ ]" 1
44 1 6 TYR QB 1 41 LEU MD1 . . 7.900 5.337 5.337 5.337 . 0 0 "[ ]" 1
45 1 6 TYR QB 1 41 LEU QD . . 7.440 4.139 4.139 4.139 . 0 0 "[ ]" 1
46 1 6 TYR QB 1 41 LEU MD2 . . 7.900 4.312 4.312 4.312 . 0 0 "[ ]" 1
47 1 6 TYR QB 1 66 LEU QB . . 7.750 3.621 3.621 3.621 . 0 0 "[ ]" 1
48 1 6 TYR QB 1 66 LEU MD1 . . 7.900 3.216 3.216 3.216 . 0 0 "[ ]" 1
49 1 6 TYR QB 1 66 LEU QD . . 7.550 3.150 3.150 3.150 . 0 0 "[ ]" 1
50 1 6 TYR QB 1 66 LEU MD2 . . 7.900 4.508 4.508 4.508 . 0 0 "[ ]" 1
51 1 6 TYR QB 1 66 LEU HG . . 6.880 5.778 5.778 5.778 . 0 0 "[ ]" 1
52 1 6 TYR QB 1 68 TYR QE . . 9.010 7.583 7.583 7.583 . 0 0 "[ ]" 1
53 1 6 TYR QD 1 7 GLY H . . 8.140 3.101 3.101 3.101 . 0 0 "[ ]" 1
54 1 6 TYR QD 1 14 LYS QB . . 9.020 5.738 5.738 5.738 . 0 0 "[ ]" 1
55 1 6 TYR QD 1 38 ASN HA . . 8.140 5.086 5.086 5.086 . 0 0 "[ ]" 1
56 1 6 TYR QD 1 39 ALA MB . . 9.170 6.374 6.374 6.374 . 0 0 "[ ]" 1
57 1 6 TYR QD 1 41 LEU HA . . 8.140 7.518 7.518 7.518 . 0 0 "[ ]" 1
58 1 6 TYR QD 1 41 LEU QB . . 9.020 5.668 5.668 5.668 . 0 0 "[ ]" 1
59 1 6 TYR QD 1 41 LEU QD . . 10.270 3.022 3.022 3.022 . 0 0 "[ ]" 1
60 1 6 TYR QE 1 7 GLY H . . 8.130 4.806 4.806 4.806 . 0 0 "[ ]" 1
61 1 6 TYR QE 1 14 LYS QB . . 9.010 7.378 7.378 7.378 . 0 0 "[ ]" 1
62 1 6 TYR QE 1 38 ASN HB2 . . 8.130 2.008 2.008 2.008 . 0 0 "[ ]" 1
63 1 6 TYR QE 1 38 ASN HB3 . . 8.130 2.097 2.097 2.097 . 0 0 "[ ]" 1
64 1 6 TYR QE 1 40 ASP QB . . 9.010 7.277 7.277 7.277 . 0 0 "[ ]" 1
65 1 6 TYR QE 1 41 LEU HA . . 8.130 5.731 5.731 5.731 . 0 0 "[ ]" 1
66 1 6 TYR QE 1 41 LEU QD . . 10.730 1.826 1.826 1.826 . 0 0 "[ ]" 1
67 1 6 TYR QE 1 55 LEU QB . . 9.010 8.773 8.773 8.773 . 0 0 "[ ]" 1
68 1 7 GLY H 1 8 ASP H . . 3.340 2.520 2.520 2.520 . 0 0 "[ ]" 1
69 1 7 GLY H 1 37 ASP QB . . 6.730 5.632 5.632 5.632 . 0 0 "[ ]" 1
70 1 7 GLY H 1 38 ASN HB2 . . 6.000 3.330 3.330 3.330 . 0 0 "[ ]" 1
71 1 7 GLY H 1 38 ASN QB . . 5.210 3.274 3.274 3.274 . 0 0 "[ ]" 1
72 1 7 GLY H 1 38 ASN HB3 . . 6.000 4.823 4.823 4.823 . 0 0 "[ ]" 1
73 1 7 GLY H 1 39 ALA HA . . 5.060 4.154 4.154 4.154 . 0 0 "[ ]" 1
74 1 7 GLY H 1 41 LEU MD1 . . 7.030 5.641 5.641 5.641 . 0 0 "[ ]" 1
75 1 7 GLY H 1 41 LEU QD . . 6.700 5.019 5.019 5.019 . 0 0 "[ ]" 1
76 1 7 GLY H 1 41 LEU MD2 . . 7.030 5.627 5.627 5.627 . 0 0 "[ ]" 1
77 1 7 GLY H 1 66 LEU QD . . 8.600 6.012 6.012 6.012 . 0 0 "[ ]" 1
78 1 7 GLY QA 1 9 VAL QG . . 9.360 4.773 4.773 4.773 . 0 0 "[ ]" 1
79 1 7 GLY QA 1 15 VAL QG . . 6.370 2.812 2.812 2.812 . 0 0 "[ ]" 1
80 1 7 GLY QA 1 41 LEU QD . . 8.900 3.400 3.400 3.400 . 0 0 "[ ]" 1
81 1 7 GLY QA 1 66 LEU QD . . 9.470 4.820 4.820 4.820 . 0 0 "[ ]" 1
82 1 7 GLY HA2 1 15 VAL MG1 . . 7.480 3.844 3.844 3.844 . 0 0 "[ ]" 1
83 1 7 GLY HA2 1 15 VAL MG2 . . 7.480 5.388 5.388 5.388 . 0 0 "[ ]" 1
84 1 7 GLY HA3 1 15 VAL MG1 . . 7.480 2.919 2.919 2.919 . 0 0 "[ ]" 1
85 1 7 GLY HA3 1 15 VAL MG2 . . 7.480 5.105 5.105 5.105 . 0 0 "[ ]" 1
86 1 8 ASP CG 2 1 CA CA . . 4.000 4.171 4.171 4.171 0.171 1 0 "[ ]" 1
87 1 8 ASP H 1 8 ASP QB . . 3.200 2.179 2.179 2.179 . 0 0 "[ ]" 1
88 1 8 ASP H 1 9 VAL QG . . 8.590 4.939 4.939 4.939 . 0 0 "[ ]" 1
89 1 8 ASP H 1 15 VAL QG . . 7.620 4.592 4.592 4.592 . 0 0 "[ ]" 1
90 1 8 ASP H 1 35 ASN QB . . 4.540 3.018 3.018 3.018 . 0 0 "[ ]" 1
91 1 8 ASP H 1 38 ASN QB . . 6.080 5.261 5.261 5.261 . 0 0 "[ ]" 1
92 1 8 ASP HA 1 9 VAL H . . 3.050 2.407 2.407 2.407 . 0 0 "[ ]" 1
93 1 8 ASP HA 1 9 VAL QG . . 8.590 3.411 3.411 3.411 . 0 0 "[ ]" 1
94 1 8 ASP HA 1 15 VAL MG1 . . 7.030 3.976 3.976 3.976 . 0 0 "[ ]" 1
95 1 8 ASP HA 1 15 VAL QG . . 6.350 3.740 3.740 3.740 . 0 0 "[ ]" 1
96 1 8 ASP HA 1 15 VAL MG2 . . 7.030 4.553 4.553 4.553 . 0 0 "[ ]" 1
97 1 8 ASP QB 1 13 GLY H . . 6.880 3.908 3.908 3.908 . 0 0 "[ ]" 1
98 1 8 ASP QB 1 14 LYS H . . 6.880 4.490 4.490 4.490 . 0 0 "[ ]" 1
99 1 8 ASP QB 1 14 LYS QG . . 7.750 5.732 5.732 5.732 . 0 0 "[ ]" 1
100 1 8 ASP QB 1 15 VAL MG1 . . 10.150 5.403 5.403 5.403 . 0 0 "[ ]" 1
101 1 8 ASP QB 1 15 VAL QG . . 7.740 4.976 4.976 4.976 . 0 0 "[ ]" 1
102 1 8 ASP QB 1 15 VAL MG2 . . 10.150 5.823 5.823 5.823 . 0 0 "[ ]" 1
103 1 8 ASP QB 1 38 ASN HD21 . . 7.390 5.304 5.304 5.304 . 0 0 "[ ]" 1
104 1 8 ASP QB 1 38 ASN QD . . 6.420 4.532 4.532 4.532 . 0 0 "[ ]" 1
105 1 8 ASP QB 1 38 ASN HD22 . . 7.390 4.920 4.920 4.920 . 0 0 "[ ]" 1
106 1 9 VAL H 1 9 VAL HB . . 3.660 2.375 2.375 2.375 . 0 0 "[ ]" 1
107 1 9 VAL H 1 9 VAL MG1 . . 4.760 3.729 3.729 3.729 . 0 0 "[ ]" 1
108 1 9 VAL H 1 9 VAL MG2 . . 4.760 2.429 2.429 2.429 . 0 0 "[ ]" 1
109 1 9 VAL H 1 11 ASP H . . 4.240 3.167 3.167 3.167 . 0 0 "[ ]" 1
110 1 9 VAL H 1 14 LYS HA . . 6.000 4.148 4.148 4.148 . 0 0 "[ ]" 1
111 1 9 VAL H 1 19 ASP HB2 . . 6.000 4.623 4.623 4.623 . 0 0 "[ ]" 1
112 1 9 VAL H 1 19 ASP QB . . 5.270 3.961 3.961 3.961 . 0 0 "[ ]" 1
113 1 9 VAL H 1 19 ASP HB3 . . 6.000 4.308 4.308 4.308 . 0 0 "[ ]" 1
114 1 9 VAL HA 1 10 ASN HA . . 5.280 4.512 4.512 4.512 . 0 0 "[ ]" 1
115 1 9 VAL HA 1 11 ASP H . . 5.210 4.010 4.010 4.010 . 0 0 "[ ]" 1
116 1 9 VAL HA 1 15 VAL HB . . 6.000 4.119 4.119 4.119 . 0 0 "[ ]" 1
117 1 9 VAL HA 1 34 ILE H . . 6.000 6.032 6.032 6.032 0.032 1 0 "[ ]" 1
118 1 9 VAL HA 1 34 ILE MD . . 7.030 3.035 3.035 3.035 . 0 0 "[ ]" 1
119 1 9 VAL HA 1 35 ASN H . . 4.020 2.868 2.868 2.868 . 0 0 "[ ]" 1
120 1 9 VAL HA 1 35 ASN HB2 . . 5.390 4.177 4.177 4.177 . 0 0 "[ ]" 1
121 1 9 VAL HA 1 35 ASN QB . . 5.000 4.076 4.076 4.076 . 0 0 "[ ]" 1
122 1 9 VAL HA 1 35 ASN HB3 . . 5.390 5.682 5.682 5.682 0.292 1 0 "[ ]" 1
123 1 9 VAL HB 1 19 ASP H . . 5.060 5.082 5.082 5.082 0.022 1 0 "[ ]" 1
124 1 9 VAL HB 1 19 ASP HA . . 5.600 4.124 4.124 4.124 . 0 0 "[ ]" 1
125 1 9 VAL HB 1 19 ASP QB . . 6.880 2.112 2.112 2.112 . 0 0 "[ ]" 1
126 1 9 VAL HB 1 22 ALA MB . . 6.240 3.963 3.963 3.963 . 0 0 "[ ]" 1
127 1 9 VAL HB 1 26 TYR QD . . 8.140 7.595 7.595 7.595 . 0 0 "[ ]" 1
128 1 9 VAL HB 1 34 ILE HA . . 6.000 6.028 6.028 6.028 0.028 1 0 "[ ]" 1
129 1 9 VAL HB 1 34 ILE MD . . 6.090 4.753 4.753 4.753 . 0 0 "[ ]" 1
130 1 9 VAL HB 1 34 ILE MG . . 6.600 4.473 4.473 4.473 . 0 0 "[ ]" 1
131 1 9 VAL HB 1 35 ASN H . . 5.930 5.712 5.712 5.712 . 0 0 "[ ]" 1
132 1 9 VAL QG 1 10 ASN H . . 6.020 3.057 3.057 3.057 . 0 0 "[ ]" 1
133 1 9 VAL QG 1 10 ASN HA . . 8.590 3.531 3.531 3.531 . 0 0 "[ ]" 1
134 1 9 VAL QG 1 16 ASN H . . 8.590 3.345 3.345 3.345 . 0 0 "[ ]" 1
135 1 9 VAL QG 1 19 ASP H . . 8.590 4.057 4.057 4.057 . 0 0 "[ ]" 1
136 1 9 VAL QG 1 19 ASP HA . . 5.920 3.403 3.403 3.403 . 0 0 "[ ]" 1
137 1 9 VAL QG 1 19 ASP QB . . 6.020 1.649 1.649 1.649 . 0 0 "[ ]" 1
138 1 9 VAL QG 1 20 ALA MB . . 9.080 5.237 5.237 5.237 . 0 0 "[ ]" 1
139 1 9 VAL QG 1 22 ALA MB . . 7.370 1.876 1.876 1.876 . 0 0 "[ ]" 1
140 1 9 VAL QG 1 23 LEU H . . 5.600 3.810 3.810 3.810 . 0 0 "[ ]" 1
141 1 9 VAL QG 1 34 ILE MG . . 9.440 1.993 1.993 1.993 . 0 0 "[ ]" 1
142 1 9 VAL MG1 1 10 ASN H . . 6.670 3.225 3.225 3.225 . 0 0 "[ ]" 1
143 1 9 VAL MG1 1 19 ASP HA . . 7.030 3.614 3.614 3.614 . 0 0 "[ ]" 1
144 1 9 VAL MG1 1 19 ASP HB2 . . 7.030 3.419 3.419 3.419 . 0 0 "[ ]" 1
145 1 9 VAL MG1 1 19 ASP HB3 . . 7.030 1.967 1.967 1.967 . 0 0 "[ ]" 1
146 1 9 VAL MG1 1 20 ALA H . . 6.600 5.608 5.608 5.608 . 0 0 "[ ]" 1
147 1 9 VAL MG1 1 22 ALA MB . . 8.060 1.882 1.882 1.882 . 0 0 "[ ]" 1
148 1 9 VAL MG1 1 23 LEU H . . 6.340 4.038 4.038 4.038 . 0 0 "[ ]" 1
149 1 9 VAL MG1 1 34 ILE HA . . 7.030 3.696 3.696 3.696 . 0 0 "[ ]" 1
150 1 9 VAL MG1 1 35 ASN H . . 7.030 4.215 4.215 4.215 . 0 0 "[ ]" 1
151 1 9 VAL MG2 1 10 ASN H . . 6.670 3.793 3.793 3.793 . 0 0 "[ ]" 1
152 1 9 VAL MG2 1 19 ASP HA . . 7.030 4.155 4.155 4.155 . 0 0 "[ ]" 1
153 1 9 VAL MG2 1 19 ASP HB2 . . 7.030 1.994 1.994 1.994 . 0 0 "[ ]" 1
154 1 9 VAL MG2 1 19 ASP HB3 . . 7.030 1.993 1.993 1.993 . 0 0 "[ ]" 1
155 1 9 VAL MG2 1 20 ALA H . . 6.600 5.357 5.357 5.357 . 0 0 "[ ]" 1
156 1 9 VAL MG2 1 22 ALA MB . . 8.060 3.594 3.594 3.594 . 0 0 "[ ]" 1
157 1 9 VAL MG2 1 23 LEU H . . 6.340 4.671 4.671 4.671 . 0 0 "[ ]" 1
158 1 9 VAL MG2 1 34 ILE HA . . 7.030 5.281 5.281 5.281 . 0 0 "[ ]" 1
159 1 9 VAL MG2 1 35 ASN H . . 7.030 4.657 4.657 4.657 . 0 0 "[ ]" 1
160 1 10 ASN H 1 10 ASN QB . . 3.810 2.985 2.985 2.985 . 0 0 "[ ]" 1
161 1 10 ASN H 1 11 ASP H . . 3.340 2.569 2.569 2.569 . 0 0 "[ ]" 1
162 1 10 ASN HA 1 11 ASP QB . . 6.080 3.826 3.826 3.826 . 0 0 "[ ]" 1
163 1 10 ASN HA 1 22 ALA MB . . 7.030 5.183 5.183 5.183 . 0 0 "[ ]" 1
164 1 10 ASN HA 1 34 ILE HA . . 4.310 4.403 4.403 4.403 0.093 1 0 "[ ]" 1
165 1 10 ASN HA 1 34 ILE MG . . 7.030 4.355 4.355 4.355 . 0 0 "[ ]" 1
166 1 10 ASN HA 1 35 ASN H . . 5.060 4.927 4.927 4.927 . 0 0 "[ ]" 1
167 1 10 ASN QB 1 22 ALA MB . . 7.900 4.373 4.373 4.373 . 0 0 "[ ]" 1
168 1 10 ASN QB 1 35 ASN H . . 6.880 6.383 6.383 6.383 . 0 0 "[ ]" 1
169 1 10 ASN QD 1 12 ASP QB . . 7.740 3.167 3.167 3.167 . 0 0 "[ ]" 1
170 1 10 ASN QD 1 18 THR HA . . 6.870 6.079 6.079 6.079 . 0 0 "[ ]" 1
171 1 10 ASN QD 1 18 THR MG . . 5.950 3.672 3.672 3.672 . 0 0 "[ ]" 1
172 1 10 ASN HD21 1 18 THR MG . . 6.600 5.069 5.069 5.069 . 0 0 "[ ]" 1
173 1 10 ASN HD22 1 18 THR MG . . 6.600 3.768 3.768 3.768 . 0 0 "[ ]" 1
174 1 10 ASN OD1 2 1 CA CA . . 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 1
175 1 11 ASP H 1 11 ASP HA . . 2.870 2.170 2.170 2.170 . 0 0 "[ ]" 1
176 1 11 ASP H 1 12 ASP H . . 3.480 2.802 2.802 2.802 . 0 0 "[ ]" 1
177 1 11 ASP H 1 35 ASN QB . . 6.880 4.639 4.639 4.639 . 0 0 "[ ]" 1
178 1 11 ASP HA 1 12 ASP H . . 3.300 2.831 2.831 2.831 . 0 0 "[ ]" 1
179 1 11 ASP HA 1 13 GLY H . . 4.270 4.111 4.111 4.111 . 0 0 "[ ]" 1
180 1 12 ASP CG 2 1 CA CA . . 4.000 3.367 3.367 3.367 . 0 0 "[ ]" 1
181 1 12 ASP H 1 12 ASP HB2 . . 4.160 3.124 3.124 3.124 . 0 0 "[ ]" 1
182 1 12 ASP H 1 12 ASP QB . . 3.860 2.146 2.146 2.146 . 0 0 "[ ]" 1
183 1 12 ASP H 1 12 ASP HB3 . . 4.160 2.186 2.186 2.186 . 0 0 "[ ]" 1
184 1 12 ASP H 1 13 GLY H . . 2.980 2.205 2.205 2.205 . 0 0 "[ ]" 1
185 1 12 ASP H 1 13 GLY QA . . 5.290 4.210 4.210 4.210 . 0 0 "[ ]" 1
186 1 12 ASP H 1 14 LYS H . . 3.880 3.910 3.910 3.910 0.030 1 0 "[ ]" 1
187 1 13 GLY H 1 14 LYS H . . 3.160 2.064 2.064 2.064 . 0 0 "[ ]" 1
188 1 13 GLY QA 1 59 ILE QG . . 7.750 6.755 6.755 6.755 . 0 0 "[ ]" 1
189 1 14 LYS H 1 14 LYS QE . . 6.880 3.478 3.478 3.478 . 0 0 "[ ]" 1
190 1 14 LYS H 1 15 VAL QG . . 7.870 5.220 5.220 5.220 . 0 0 "[ ]" 1
191 1 14 LYS H 1 59 ILE HB . . 6.000 5.832 5.832 5.832 . 0 0 "[ ]" 1
192 1 14 LYS HA 1 15 VAL QG . . 8.590 3.961 3.961 3.961 . 0 0 "[ ]" 1
193 1 14 LYS HA 1 16 ASN H . . 5.570 5.764 5.764 5.764 0.194 1 0 "[ ]" 1
194 1 14 LYS HA 1 16 ASN QD . . 6.870 4.579 4.579 4.579 . 0 0 "[ ]" 1
195 1 14 LYS QB 1 16 ASN H . . 6.840 5.095 5.095 5.095 . 0 0 "[ ]" 1
196 1 14 LYS QB 1 18 THR HB . . 5.940 7.052 7.052 7.052 1.112 1 1 [+] 1
197 1 14 LYS QD 1 63 ILE MG . . 7.900 3.764 3.764 3.764 . 0 0 "[ ]" 1
198 1 14 LYS QG 1 16 ASN H . . 6.880 4.779 4.779 4.779 . 0 0 "[ ]" 1
199 1 14 LYS O 2 1 CA CA . . 2.800 2.726 2.726 2.726 . 0 0 "[ ]" 1
200 1 15 VAL H 1 15 VAL HB . . 3.910 2.652 2.652 2.652 . 0 0 "[ ]" 1
201 1 15 VAL HA 1 16 ASN H . . 2.690 2.190 2.190 2.190 . 0 0 "[ ]" 1
202 1 15 VAL HA 1 19 ASP H . . 4.670 4.375 4.375 4.375 . 0 0 "[ ]" 1
203 1 15 VAL HB 1 16 ASN H . . 4.700 4.485 4.485 4.485 . 0 0 "[ ]" 1
204 1 15 VAL HB 1 26 TYR QE . . 7.770 7.935 7.935 7.935 0.165 1 0 "[ ]" 1
205 1 15 VAL HB 1 35 ASN QD . . 5.970 5.227 5.227 5.227 . 0 0 "[ ]" 1
206 1 15 VAL HB 1 46 ARG HA . . 4.700 5.164 5.164 5.164 0.464 1 0 "[ ]" 1
207 1 15 VAL HB 1 58 TYR QE . . 8.130 7.084 7.084 7.084 . 0 0 "[ ]" 1
208 1 15 VAL QG 1 16 ASN H . . 5.270 2.935 2.935 2.935 . 0 0 "[ ]" 1
209 1 15 VAL QG 1 16 ASN HA . . 7.180 3.462 3.462 3.462 . 0 0 "[ ]" 1
210 1 15 VAL QG 1 18 THR H . . 8.590 5.913 5.913 5.913 . 0 0 "[ ]" 1
211 1 15 VAL QG 1 19 ASP H . . 8.190 4.346 4.346 4.346 . 0 0 "[ ]" 1
212 1 15 VAL QG 1 19 ASP QB . . 6.990 2.483 2.483 2.483 . 0 0 "[ ]" 1
213 1 15 VAL QG 1 35 ASN QD . . 7.800 5.077 5.077 5.077 . 0 0 "[ ]" 1
214 1 15 VAL QG 1 39 ALA H . . 7.360 5.077 5.077 5.077 . 0 0 "[ ]" 1
215 1 15 VAL QG 1 46 ARG HA . . 4.670 3.077 3.077 3.077 . 0 0 "[ ]" 1
216 1 15 VAL QG 1 66 LEU QD . . 11.190 4.662 4.662 4.662 . 0 0 "[ ]" 1
217 1 15 VAL MG1 1 16 ASN H . . 5.880 4.165 4.165 4.165 . 0 0 "[ ]" 1
218 1 15 VAL MG1 1 19 ASP HB2 . . 8.740 5.012 5.012 5.012 . 0 0 "[ ]" 1
219 1 15 VAL MG1 1 19 ASP HB3 . . 8.740 5.952 5.952 5.952 . 0 0 "[ ]" 1
220 1 15 VAL MG1 1 46 ARG HA . . 5.080 3.386 3.386 3.386 . 0 0 "[ ]" 1
221 1 15 VAL MG2 1 16 ASN H . . 5.880 2.999 2.999 2.999 . 0 0 "[ ]" 1
222 1 15 VAL MG2 1 19 ASP HB2 . . 8.740 2.552 2.552 2.552 . 0 0 "[ ]" 1
223 1 15 VAL MG2 1 19 ASP HB3 . . 8.740 3.485 3.485 3.485 . 0 0 "[ ]" 1
224 1 15 VAL MG2 1 46 ARG HA . . 5.080 3.531 3.531 3.531 . 0 0 "[ ]" 1
225 1 16 ASN H 1 19 ASP H . . 3.700 2.655 2.655 2.655 . 0 0 "[ ]" 1
226 1 16 ASN H 1 19 ASP HB2 . . 4.160 2.496 2.496 2.496 . 0 0 "[ ]" 1
227 1 16 ASN H 1 19 ASP QB . . 3.700 2.475 2.475 2.475 . 0 0 "[ ]" 1
228 1 16 ASN H 1 19 ASP HB3 . . 4.160 4.099 4.099 4.099 . 0 0 "[ ]" 1
229 1 16 ASN H 1 47 VAL QG . . 8.120 3.773 3.773 3.773 . 0 0 "[ ]" 1
230 1 16 ASN HA 1 46 ARG QB . . 6.880 5.977 5.977 5.977 . 0 0 "[ ]" 1
231 1 16 ASN HA 1 47 VAL HB . . 5.060 4.323 4.323 4.323 . 0 0 "[ ]" 1
232 1 16 ASN HA 1 47 VAL QG . . 6.070 2.494 2.494 2.494 . 0 0 "[ ]" 1
233 1 16 ASN HA 1 52 LEU HG . . 5.600 6.144 6.144 6.144 0.544 1 1 [+] 1
234 1 16 ASN HA 1 59 ILE QG . . 6.880 5.347 5.347 5.347 . 0 0 "[ ]" 1
235 1 16 ASN QB 1 57 ARG H . . 6.880 6.006 6.006 6.006 . 0 0 "[ ]" 1
236 1 16 ASN QD 1 18 THR HA . . 6.870 5.125 5.125 5.125 . 0 0 "[ ]" 1
237 1 17 SER H 1 56 LYS HA . . 6.000 6.017 6.017 6.017 0.017 1 0 "[ ]" 1
238 1 17 SER QB 1 56 LYS H . . 6.880 6.283 6.283 6.283 . 0 0 "[ ]" 1
239 1 18 THR H 1 18 THR HB . . 3.340 2.508 2.508 2.508 . 0 0 "[ ]" 1
240 1 18 THR H 1 56 LYS QB . . 6.800 5.859 5.859 5.859 . 0 0 "[ ]" 1
241 1 18 THR H 1 59 ILE QG . . 6.880 6.613 6.613 6.613 . 0 0 "[ ]" 1
242 1 18 THR HA 1 19 ASP H . . 3.620 3.576 3.576 3.576 . 0 0 "[ ]" 1
243 1 18 THR HA 1 20 ALA MB . . 7.030 4.248 4.248 4.248 . 0 0 "[ ]" 1
244 1 18 THR MG 1 19 ASP H . . 5.340 3.855 3.855 3.855 . 0 0 "[ ]" 1
245 1 19 ASP H 1 19 ASP HB2 . . 3.730 2.515 2.515 2.515 . 0 0 "[ ]" 1
246 1 19 ASP H 1 19 ASP QB . . 3.240 2.472 2.472 2.472 . 0 0 "[ ]" 1
247 1 19 ASP H 1 19 ASP HB3 . . 3.730 3.629 3.629 3.629 . 0 0 "[ ]" 1
248 1 19 ASP H 1 20 ALA H . . 3.120 2.717 2.717 2.717 . 0 0 "[ ]" 1
249 1 19 ASP HA 1 21 VAL H . . 4.700 3.313 3.313 3.313 . 0 0 "[ ]" 1
250 1 19 ASP HA 1 22 ALA H . . 4.310 3.601 3.601 3.601 . 0 0 "[ ]" 1
251 1 19 ASP HA 1 22 ALA MB . . 5.300 3.826 3.826 3.826 . 0 0 "[ ]" 1
252 1 19 ASP HA 1 23 LEU H . . 4.810 4.744 4.744 4.744 . 0 0 "[ ]" 1
253 1 19 ASP HA 1 23 LEU QD . . 8.600 5.672 5.672 5.672 . 0 0 "[ ]" 1
254 1 19 ASP QB 1 20 ALA H . . 4.040 3.756 3.756 3.756 . 0 0 "[ ]" 1
255 1 19 ASP QB 1 20 ALA MB . . 6.860 4.685 4.685 4.685 . 0 0 "[ ]" 1
256 1 19 ASP QB 1 22 ALA MB . . 7.900 3.158 3.158 3.158 . 0 0 "[ ]" 1
257 1 19 ASP QB 1 23 LEU HG . . 6.880 6.195 6.195 6.195 . 0 0 "[ ]" 1
258 1 19 ASP HB2 1 20 ALA H . . 4.670 4.012 4.012 4.012 . 0 0 "[ ]" 1
259 1 19 ASP HB3 1 20 ALA H . . 4.670 4.527 4.527 4.527 . 0 0 "[ ]" 1
260 1 19 ASP OD1 2 1 CA CA . . 2.800 2.775 2.775 2.775 . 0 0 "[ ]" 1
261 1 19 ASP OD2 2 1 CA CA . . 2.800 2.817 2.817 2.817 0.017 1 0 "[ ]" 1
262 1 20 ALA H 1 21 VAL H . . 4.490 2.546 2.546 2.546 . 0 0 "[ ]" 1
263 1 20 ALA H 1 23 LEU QD . . 7.810 4.648 4.648 4.648 . 0 0 "[ ]" 1
264 1 20 ALA H 1 23 LEU HG . . 6.000 7.233 7.233 7.233 1.233 1 1 [+] 1
265 1 20 ALA HA 1 23 LEU QB . . 4.750 1.895 1.895 1.895 . 0 0 "[ ]" 1
266 1 20 ALA HA 1 23 LEU HG . . 5.600 4.522 4.522 4.522 . 0 0 "[ ]" 1
267 1 20 ALA HA 1 24 LYS H . . 4.670 3.744 3.744 3.744 . 0 0 "[ ]" 1
268 1 20 ALA MB 1 21 VAL HA . . 7.030 3.920 3.920 3.920 . 0 0 "[ ]" 1
269 1 21 VAL H 1 21 VAL HB . . 3.230 2.243 2.243 2.243 . 0 0 "[ ]" 1
270 1 21 VAL HA 1 24 LYS H . . 4.020 3.741 3.741 3.741 . 0 0 "[ ]" 1
271 1 21 VAL HA 1 24 LYS QB . . 5.510 3.382 3.382 3.382 . 0 0 "[ ]" 1
272 1 21 VAL HA 1 24 LYS QG . . 6.880 5.522 5.522 5.522 . 0 0 "[ ]" 1
273 1 21 VAL HA 1 25 ARG H . . 4.560 4.650 4.650 4.650 0.090 1 0 "[ ]" 1
274 1 21 VAL HA 1 25 ARG QD . . 5.150 3.761 3.761 3.761 . 0 0 "[ ]" 1
275 1 21 VAL HA 1 25 ARG QG . . 6.880 5.701 5.701 5.701 . 0 0 "[ ]" 1
276 1 21 VAL HB 1 22 ALA H . . 3.260 2.405 2.405 2.405 . 0 0 "[ ]" 1
277 1 21 VAL QG 1 22 ALA H . . 6.110 2.730 2.730 2.730 . 0 0 "[ ]" 1
278 1 21 VAL QG 1 24 LYS QB . . 8.240 4.017 4.017 4.017 . 0 0 "[ ]" 1
279 1 21 VAL QG 1 24 LYS QD . . 9.460 4.668 4.668 4.668 . 0 0 "[ ]" 1
280 1 21 VAL QG 1 25 ARG QD . . 9.460 2.631 2.631 2.631 . 0 0 "[ ]" 1
281 1 21 VAL QG 1 34 ILE MG . . 9.620 5.644 5.644 5.644 . 0 0 "[ ]" 1
282 1 21 VAL MG1 1 22 ALA H . . 6.700 2.786 2.786 2.786 . 0 0 "[ ]" 1
283 1 21 VAL MG2 1 22 ALA H . . 6.700 3.923 3.923 3.923 . 0 0 "[ ]" 1
284 1 22 ALA H 1 23 LEU H . . 3.300 2.575 2.575 2.575 . 0 0 "[ ]" 1
285 1 22 ALA H 1 32 ILE MG . . 7.030 5.679 5.679 5.679 . 0 0 "[ ]" 1
286 1 22 ALA HA 1 25 ARG H . . 3.980 3.446 3.446 3.446 . 0 0 "[ ]" 1
287 1 22 ALA HA 1 25 ARG QB . . 4.320 2.516 2.516 2.516 . 0 0 "[ ]" 1
288 1 22 ALA HA 1 25 ARG QG . . 6.550 4.225 4.225 4.225 . 0 0 "[ ]" 1
289 1 22 ALA MB 1 32 ILE MD . . 8.060 1.700 1.700 1.700 . 0 0 "[ ]" 1
290 1 22 ALA MB 1 34 ILE MG . . 7.370 2.179 2.179 2.179 . 0 0 "[ ]" 1
291 1 23 LEU H 1 24 LYS H . . 3.190 2.765 2.765 2.765 . 0 0 "[ ]" 1
292 1 23 LEU H 1 26 TYR QB . . 6.230 4.365 4.365 4.365 . 0 0 "[ ]" 1
293 1 23 LEU H 1 34 ILE MD . . 7.030 5.617 5.617 5.617 . 0 0 "[ ]" 1
294 1 23 LEU HA 1 26 TYR H . . 3.120 2.998 2.998 2.998 . 0 0 "[ ]" 1
295 1 23 LEU HA 1 26 TYR HB2 . . 4.240 2.773 2.773 2.773 . 0 0 "[ ]" 1
296 1 23 LEU HA 1 26 TYR QB . . 3.910 2.233 2.233 2.233 . 0 0 "[ ]" 1
297 1 23 LEU HA 1 26 TYR HB3 . . 4.240 2.354 2.354 2.354 . 0 0 "[ ]" 1
298 1 23 LEU HA 1 26 TYR QD . . 8.140 4.187 4.187 4.187 . 0 0 "[ ]" 1
299 1 23 LEU HA 1 27 VAL H . . 3.980 3.632 3.632 3.632 . 0 0 "[ ]" 1
300 1 23 LEU HA 1 34 ILE MD . . 6.090 4.291 4.291 4.291 . 0 0 "[ ]" 1
301 1 23 LEU HA 1 47 VAL QG . . 8.120 5.080 5.080 5.080 . 0 0 "[ ]" 1
302 1 23 LEU QB 1 27 VAL QG . . 8.780 3.382 3.382 3.382 . 0 0 "[ ]" 1
303 1 23 LEU QB 1 47 VAL QG . . 9.000 3.620 3.620 3.620 . 0 0 "[ ]" 1
304 1 23 LEU QD 1 24 LYS H . . 7.630 2.841 2.841 2.841 . 0 0 "[ ]" 1
305 1 23 LEU QD 1 26 TYR H . . 6.510 4.666 4.666 4.666 . 0 0 "[ ]" 1
306 1 23 LEU QD 1 26 TYR QD . . 9.940 4.622 4.622 4.622 . 0 0 "[ ]" 1
307 1 23 LEU QD 1 26 TYR QE . . 10.730 5.640 5.640 5.640 . 0 0 "[ ]" 1
308 1 23 LEU QD 1 34 ILE MD . . 9.010 4.454 4.454 4.454 . 0 0 "[ ]" 1
309 1 23 LEU QD 1 48 ASN HA . . 8.600 3.236 3.236 3.236 . 0 0 "[ ]" 1
310 1 23 LEU HG 1 24 LYS H . . 4.880 4.112 4.112 4.112 . 0 0 "[ ]" 1
311 1 23 LEU HG 1 34 ILE MD . . 7.030 5.553 5.553 5.553 . 0 0 "[ ]" 1
312 1 23 LEU HG 1 48 ASN HA . . 6.000 5.128 5.128 5.128 . 0 0 "[ ]" 1
313 1 24 LYS H 1 24 LYS HB2 . . 2.900 2.250 2.250 2.250 . 0 0 "[ ]" 1
314 1 24 LYS H 1 24 LYS HB3 . . 2.900 2.708 2.708 2.708 . 0 0 "[ ]" 1
315 1 24 LYS H 1 25 ARG H . . 3.770 2.884 2.884 2.884 . 0 0 "[ ]" 1
316 1 24 LYS H 1 27 VAL QG . . 6.360 3.466 3.466 3.466 . 0 0 "[ ]" 1
317 1 24 LYS HA 1 27 VAL H . . 3.770 3.437 3.437 3.437 . 0 0 "[ ]" 1
318 1 24 LYS HA 1 27 VAL HB . . 4.060 2.935 2.935 2.935 . 0 0 "[ ]" 1
319 1 24 LYS HA 1 27 VAL QG . . 6.790 2.249 2.249 2.249 . 0 0 "[ ]" 1
320 1 24 LYS HA 1 28 LEU H . . 3.840 3.921 3.921 3.921 0.081 1 0 "[ ]" 1
321 1 24 LYS QB 1 25 ARG H . . 4.000 2.714 2.714 2.714 . 0 0 "[ ]" 1
322 1 24 LYS QG 1 25 ARG H . . 6.880 3.980 3.980 3.980 . 0 0 "[ ]" 1
323 1 24 LYS QG 1 26 TYR H . . 6.880 5.384 5.384 5.384 . 0 0 "[ ]" 1
324 1 25 ARG H 1 25 ARG HB2 . . 3.800 2.222 2.222 2.222 . 0 0 "[ ]" 1
325 1 25 ARG H 1 25 ARG QB . . 3.220 2.199 2.199 2.199 . 0 0 "[ ]" 1
326 1 25 ARG H 1 25 ARG HB3 . . 3.800 3.493 3.493 3.493 . 0 0 "[ ]" 1
327 1 25 ARG H 1 26 TYR H . . 3.340 2.522 2.522 2.522 . 0 0 "[ ]" 1
328 1 25 ARG H 1 32 ILE MG . . 6.600 4.241 4.241 4.241 . 0 0 "[ ]" 1
329 1 25 ARG HA 1 26 TYR H . . 3.480 3.572 3.572 3.572 0.092 1 0 "[ ]" 1
330 1 25 ARG HA 1 28 LEU H . . 3.840 3.665 3.665 3.665 . 0 0 "[ ]" 1
331 1 25 ARG HA 1 28 LEU QB . . 4.720 2.959 2.959 2.959 . 0 0 "[ ]" 1
332 1 25 ARG QB 1 26 TYR H . . 4.140 2.791 2.791 2.791 . 0 0 "[ ]" 1
333 1 25 ARG QG 1 29 ARG QG . . 7.750 5.732 5.732 5.732 . 0 0 "[ ]" 1
334 1 26 TYR H 1 26 TYR HB2 . . 3.010 2.236 2.236 2.236 . 0 0 "[ ]" 1
335 1 26 TYR H 1 26 TYR HB3 . . 3.010 2.448 2.448 2.448 . 0 0 "[ ]" 1
336 1 26 TYR H 1 27 VAL H . . 3.120 2.512 2.512 2.512 . 0 0 "[ ]" 1
337 1 26 TYR H 1 27 VAL HB . . 5.060 4.906 4.906 4.906 . 0 0 "[ ]" 1
338 1 26 TYR H 1 34 ILE MD . . 7.030 5.478 5.478 5.478 . 0 0 "[ ]" 1
339 1 26 TYR H 1 34 ILE MG . . 7.030 5.171 5.171 5.171 . 0 0 "[ ]" 1
340 1 26 TYR HA 1 29 ARG H . . 3.800 3.287 3.287 3.287 . 0 0 "[ ]" 1
341 1 26 TYR HA 1 29 ARG QD . . 4.500 3.734 3.734 3.734 . 0 0 "[ ]" 1
342 1 26 TYR HA 1 32 ILE QG . . 6.880 4.335 4.335 4.335 . 0 0 "[ ]" 1
343 1 26 TYR HA 1 34 ILE MD . . 6.780 5.315 5.315 5.315 . 0 0 "[ ]" 1
344 1 26 TYR QB 1 27 VAL H . . 3.760 2.391 2.391 2.391 . 0 0 "[ ]" 1
345 1 26 TYR QB 1 27 VAL HB . . 6.880 4.794 4.794 4.794 . 0 0 "[ ]" 1
346 1 26 TYR QB 1 32 ILE MD . . 5.740 2.772 2.772 2.772 . 0 0 "[ ]" 1
347 1 26 TYR QB 1 32 ILE QG . . 7.750 3.837 3.837 3.837 . 0 0 "[ ]" 1
348 1 26 TYR QB 1 34 ILE MD . . 6.300 3.455 3.455 3.455 . 0 0 "[ ]" 1
349 1 26 TYR QB 1 34 ILE MG . . 6.350 3.667 3.667 3.667 . 0 0 "[ ]" 1
350 1 26 TYR HB2 1 27 VAL H . . 4.340 3.658 3.658 3.658 . 0 0 "[ ]" 1
351 1 26 TYR HB2 1 32 ILE MD . . 6.020 2.812 2.812 2.812 . 0 0 "[ ]" 1
352 1 26 TYR HB2 1 34 ILE MD . . 6.420 3.663 3.663 3.663 . 0 0 "[ ]" 1
353 1 26 TYR HB2 1 34 ILE QG . . 6.880 4.083 4.083 4.083 . 0 0 "[ ]" 1
354 1 26 TYR HB2 1 34 ILE MG . . 6.990 3.764 3.764 3.764 . 0 0 "[ ]" 1
355 1 26 TYR HB3 1 27 VAL H . . 4.340 2.423 2.423 2.423 . 0 0 "[ ]" 1
356 1 26 TYR HB3 1 32 ILE MD . . 6.020 4.205 4.205 4.205 . 0 0 "[ ]" 1
357 1 26 TYR HB3 1 34 ILE MD . . 6.420 4.235 4.235 4.235 . 0 0 "[ ]" 1
358 1 26 TYR HB3 1 34 ILE QG . . 6.880 5.212 5.212 5.212 . 0 0 "[ ]" 1
359 1 26 TYR HB3 1 34 ILE MG . . 6.990 5.061 5.061 5.061 . 0 0 "[ ]" 1
360 1 26 TYR QD 1 27 VAL H . . 8.140 3.581 3.581 3.581 . 0 0 "[ ]" 1
361 1 26 TYR QD 1 27 VAL HA . . 8.140 3.017 3.017 3.017 . 0 0 "[ ]" 1
362 1 26 TYR QD 1 27 VAL MG1 . . 8.920 4.541 4.541 4.541 . 0 0 "[ ]" 1
363 1 26 TYR QD 1 27 VAL MG2 . . 8.920 3.373 3.373 3.373 . 0 0 "[ ]" 1
364 1 26 TYR QD 1 32 ILE HB . . 8.140 6.139 6.139 6.139 . 0 0 "[ ]" 1
365 1 26 TYR QD 1 32 ILE QG . . 9.020 3.229 3.229 3.229 . 0 0 "[ ]" 1
366 1 26 TYR QD 1 33 SER HA . . 8.140 5.586 5.586 5.586 . 0 0 "[ ]" 1
367 1 26 TYR QD 1 34 ILE MD . . 9.170 2.491 2.491 2.491 . 0 0 "[ ]" 1
368 1 26 TYR QD 1 34 ILE QG . . 9.020 1.987 1.987 1.987 . 0 0 "[ ]" 1
369 1 26 TYR QD 1 34 ILE MG . . 9.130 2.880 2.880 2.880 . 0 0 "[ ]" 1
370 1 26 TYR QD 1 39 ALA MB . . 9.170 5.506 5.506 5.506 . 0 0 "[ ]" 1
371 1 26 TYR QD 1 40 ASP QB . . 8.300 6.710 6.710 6.710 . 0 0 "[ ]" 1
372 1 26 TYR QD 1 46 ARG HA . . 8.140 6.199 6.199 6.199 . 0 0 "[ ]" 1
373 1 26 TYR QD 1 47 VAL QG . . 10.260 6.210 6.210 6.210 . 0 0 "[ ]" 1
374 1 26 TYR QE 1 27 VAL HA . . 8.130 4.978 4.978 4.978 . 0 0 "[ ]" 1
375 1 26 TYR QE 1 27 VAL MG1 . . 9.160 5.969 5.969 5.969 . 0 0 "[ ]" 1
376 1 26 TYR QE 1 27 VAL MG2 . . 9.160 5.275 5.275 5.275 . 0 0 "[ ]" 1
377 1 26 TYR QE 1 33 SER HA . . 8.130 5.553 5.553 5.553 . 0 0 "[ ]" 1
378 1 26 TYR QE 1 34 ILE HA . . 8.130 5.755 5.755 5.755 . 0 0 "[ ]" 1
379 1 26 TYR QE 1 34 ILE MD . . 9.160 2.247 2.247 2.247 . 0 0 "[ ]" 1
380 1 26 TYR QE 1 34 ILE QG . . 9.010 2.035 2.035 2.035 . 0 0 "[ ]" 1
381 1 26 TYR QE 1 34 ILE MG . . 9.160 4.005 4.005 4.005 . 0 0 "[ ]" 1
382 1 26 TYR QE 1 36 THR HB . . 8.130 2.071 2.071 2.071 . 0 0 "[ ]" 1
383 1 26 TYR QE 1 36 THR MG . . 9.160 3.199 3.199 3.199 . 0 0 "[ ]" 1
384 1 26 TYR QE 1 39 ALA MB . . 9.160 4.569 4.569 4.569 . 0 0 "[ ]" 1
385 1 26 TYR QE 1 46 ARG HA . . 8.130 5.640 5.640 5.640 . 0 0 "[ ]" 1
386 1 26 TYR QE 1 47 VAL QG . . 9.890 6.614 6.614 6.614 . 0 0 "[ ]" 1
387 1 27 VAL H 1 27 VAL HB . . 3.300 2.675 2.675 2.675 . 0 0 "[ ]" 1
388 1 27 VAL H 1 28 LEU H . . 3.160 2.708 2.708 2.708 . 0 0 "[ ]" 1
389 1 27 VAL HA 1 28 LEU HA . . 4.600 4.779 4.779 4.779 0.179 1 0 "[ ]" 1
390 1 27 VAL HA 1 28 LEU QD . . 8.600 5.787 5.787 5.787 . 0 0 "[ ]" 1
391 1 27 VAL HA 1 29 ARG H . . 4.810 4.407 4.407 4.407 . 0 0 "[ ]" 1
392 1 27 VAL HB 1 28 LEU H . . 3.590 2.610 2.610 2.610 . 0 0 "[ ]" 1
393 1 27 VAL HB 1 29 ARG H . . 5.890 5.004 5.004 5.004 . 0 0 "[ ]" 1
394 1 27 VAL QG 1 28 LEU H . . 6.900 3.286 3.286 3.286 . 0 0 "[ ]" 1
395 1 27 VAL QG 1 45 GLY QA . . 9.460 5.013 5.013 5.013 . 0 0 "[ ]" 1
396 1 27 VAL QG 1 48 ASN HA . . 5.010 3.749 3.749 3.749 . 0 0 "[ ]" 1
397 1 27 VAL QG 1 48 ASN QB . . 7.750 4.508 4.508 4.508 . 0 0 "[ ]" 1
398 1 27 VAL MG1 1 48 ASN HA . . 5.340 4.412 4.412 4.412 . 0 0 "[ ]" 1
399 1 27 VAL MG1 1 48 ASN HB2 . . 8.780 5.943 5.943 5.943 . 0 0 "[ ]" 1
400 1 27 VAL MG1 1 48 ASN HB3 . . 8.780 5.173 5.173 5.173 . 0 0 "[ ]" 1
401 1 27 VAL MG2 1 48 ASN HA . . 5.340 4.056 4.056 4.056 . 0 0 "[ ]" 1
402 1 27 VAL MG2 1 48 ASN HB2 . . 8.780 6.275 6.275 6.275 . 0 0 "[ ]" 1
403 1 27 VAL MG2 1 48 ASN HB3 . . 8.780 5.743 5.743 5.743 . 0 0 "[ ]" 1
404 1 28 LEU H 1 28 LEU HG . . 4.310 4.036 4.036 4.036 . 0 0 "[ ]" 1
405 1 28 LEU HA 1 29 ARG H . . 3.480 3.603 3.603 3.603 0.123 1 0 "[ ]" 1
406 1 28 LEU HA 1 29 ARG QG . . 6.880 3.859 3.859 3.859 . 0 0 "[ ]" 1
407 1 28 LEU QB 1 29 ARG H . . 5.650 2.743 2.743 2.743 . 0 0 "[ ]" 1
408 1 28 LEU QD 1 29 ARG H . . 8.600 4.104 4.104 4.104 . 0 0 "[ ]" 1
409 1 31 GLY QA 1 32 ILE QG . . 6.380 5.002 5.002 5.002 . 0 0 "[ ]" 1
410 1 32 ILE H 1 32 ILE HA . . 2.720 2.880 2.880 2.880 0.160 1 0 "[ ]" 1
411 1 32 ILE H 1 32 ILE HB . . 3.770 3.530 3.530 3.530 . 0 0 "[ ]" 1
412 1 32 ILE H 1 32 ILE MD . . 5.370 3.445 3.445 3.445 . 0 0 "[ ]" 1
413 1 32 ILE HA 1 33 SER H . . 3.550 2.652 2.652 2.652 . 0 0 "[ ]" 1
414 1 32 ILE HB 1 33 SER H . . 4.340 2.554 2.554 2.554 . 0 0 "[ ]" 1
415 1 32 ILE MD 1 33 SER H . . 7.030 3.855 3.855 3.855 . 0 0 "[ ]" 1
416 1 32 ILE MD 1 33 SER QB . . 7.540 5.322 5.322 5.322 . 0 0 "[ ]" 1
417 1 32 ILE MD 1 34 ILE HA . . 7.030 4.977 4.977 4.977 . 0 0 "[ ]" 1
418 1 32 ILE MD 1 34 ILE MG . . 6.800 1.965 1.965 1.965 . 0 0 "[ ]" 1
419 1 32 ILE QG 1 33 SER H . . 6.880 2.198 2.198 2.198 . 0 0 "[ ]" 1
420 1 32 ILE QG 1 34 ILE H . . 6.880 3.779 3.779 3.779 . 0 0 "[ ]" 1
421 1 32 ILE QG 1 34 ILE MG . . 7.900 1.835 1.835 1.835 . 0 0 "[ ]" 1
422 1 32 ILE MG 1 33 SER H . . 6.990 3.980 3.980 3.980 . 0 0 "[ ]" 1
423 1 33 SER HA 1 34 ILE H . . 2.870 2.218 2.218 2.218 . 0 0 "[ ]" 1
424 1 33 SER HA 1 34 ILE QG . . 6.880 4.116 4.116 4.116 . 0 0 "[ ]" 1
425 1 33 SER HA 1 34 ILE MG . . 7.030 3.577 3.577 3.577 . 0 0 "[ ]" 1
426 1 34 ILE H 1 36 THR MG . . 7.030 4.080 4.080 4.080 . 0 0 "[ ]" 1
427 1 34 ILE HA 1 35 ASN H . . 3.230 2.423 2.423 2.423 . 0 0 "[ ]" 1
428 1 34 ILE HA 1 36 THR H . . 6.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
429 1 34 ILE HB 1 35 ASN H . . 3.010 2.626 2.626 2.626 . 0 0 "[ ]" 1
430 1 34 ILE MD 1 35 ASN H . . 7.030 3.605 3.605 3.605 . 0 0 "[ ]" 1
431 1 34 ILE MD 1 35 ASN QD . . 7.350 4.243 4.243 4.243 . 0 0 "[ ]" 1
432 1 34 ILE MD 1 36 THR H . . 7.030 3.506 3.506 3.506 . 0 0 "[ ]" 1
433 1 34 ILE MD 1 36 THR HB . . 5.410 2.637 2.637 2.637 . 0 0 "[ ]" 1
434 1 34 ILE MD 1 36 THR MG . . 7.260 3.961 3.961 3.961 . 0 0 "[ ]" 1
435 1 34 ILE MD 1 39 ALA H . . 7.030 5.261 5.261 5.261 . 0 0 "[ ]" 1
436 1 34 ILE MD 1 39 ALA HA . . 7.030 5.125 5.125 5.125 . 0 0 "[ ]" 1
437 1 34 ILE MD 1 40 ASP H . . 7.030 5.750 5.750 5.750 . 0 0 "[ ]" 1
438 1 34 ILE QG 1 35 ASN H . . 6.880 3.574 3.574 3.574 . 0 0 "[ ]" 1
439 1 34 ILE QG 1 36 THR H . . 6.880 2.488 2.488 2.488 . 0 0 "[ ]" 1
440 1 34 ILE QG 1 36 THR HB . . 6.880 2.264 2.264 2.264 . 0 0 "[ ]" 1
441 1 34 ILE QG 1 36 THR MG . . 7.900 3.214 3.214 3.214 . 0 0 "[ ]" 1
442 1 34 ILE MG 1 35 ASN H . . 5.700 3.923 3.923 3.923 . 0 0 "[ ]" 1
443 1 34 ILE MG 1 36 THR H . . 6.630 5.019 5.019 5.019 . 0 0 "[ ]" 1
444 1 34 ILE MG 1 36 THR HA . . 7.030 5.827 5.827 5.827 . 0 0 "[ ]" 1
445 1 34 ILE MG 1 36 THR HB . . 6.090 4.897 4.897 4.897 . 0 0 "[ ]" 1
446 1 34 ILE MG 1 36 THR MG . . 7.590 5.278 5.278 5.278 . 0 0 "[ ]" 1
447 1 35 ASN H 1 35 ASN HB2 . . 3.550 2.764 2.764 2.764 . 0 0 "[ ]" 1
448 1 35 ASN H 1 35 ASN QB . . 3.330 2.672 2.672 2.672 . 0 0 "[ ]" 1
449 1 35 ASN H 1 35 ASN HB3 . . 3.550 3.549 3.549 3.549 . 0 0 "[ ]" 1
450 1 35 ASN H 1 35 ASN QD . . 3.660 1.834 1.834 1.834 . 0 0 "[ ]" 1
451 1 35 ASN H 1 36 THR H . . 4.270 3.680 3.680 3.680 . 0 0 "[ ]" 1
452 1 35 ASN HA 1 36 THR H . . 2.980 2.606 2.606 2.606 . 0 0 "[ ]" 1
453 1 35 ASN HA 1 37 ASP H . . 4.520 2.975 2.975 2.975 . 0 0 "[ ]" 1
454 1 35 ASN QB 1 37 ASP H . . 6.370 3.529 3.529 3.529 . 0 0 "[ ]" 1
455 1 35 ASN QB 1 38 ASN H . . 5.180 3.760 3.760 3.760 . 0 0 "[ ]" 1
456 1 35 ASN QB 1 38 ASN QB . . 7.640 5.445 5.445 5.445 . 0 0 "[ ]" 1
457 1 35 ASN QB 1 38 ASN QD . . 7.740 4.003 4.003 4.003 . 0 0 "[ ]" 1
458 1 35 ASN HB2 1 36 THR H . . 5.100 4.393 4.393 4.393 . 0 0 "[ ]" 1
459 1 35 ASN HB3 1 36 THR H . . 5.100 4.491 4.491 4.491 . 0 0 "[ ]" 1
460 1 36 THR H 1 36 THR HB . . 3.520 2.445 2.445 2.445 . 0 0 "[ ]" 1
461 1 36 THR H 1 36 THR MG . . 4.720 2.285 2.285 2.285 . 0 0 "[ ]" 1
462 1 36 THR H 1 39 ALA MB . . 7.030 3.863 3.863 3.863 . 0 0 "[ ]" 1
463 1 36 THR HA 1 36 THR HB . . 2.940 2.511 2.511 2.511 . 0 0 "[ ]" 1
464 1 36 THR HB 1 37 ASP H . . 4.270 4.335 4.335 4.335 0.065 1 0 "[ ]" 1
465 1 36 THR HB 1 39 ALA MB . . 4.180 3.635 3.635 3.635 . 0 0 "[ ]" 1
466 1 36 THR MG 1 37 ASP H . . 7.030 2.616 2.616 2.616 . 0 0 "[ ]" 1
467 1 37 ASP H 1 37 ASP HB2 . . 3.770 2.162 2.162 2.162 . 0 0 "[ ]" 1
468 1 37 ASP H 1 37 ASP QB . . 3.330 2.142 2.142 2.142 . 0 0 "[ ]" 1
469 1 37 ASP H 1 37 ASP HB3 . . 3.770 3.458 3.458 3.458 . 0 0 "[ ]" 1
470 1 37 ASP H 1 38 ASN H . . 3.550 3.205 3.205 3.205 . 0 0 "[ ]" 1
471 1 37 ASP HA 1 39 ALA H . . 4.700 4.386 4.386 4.386 . 0 0 "[ ]" 1
472 1 38 ASN H 1 38 ASN QB . . 3.830 3.068 3.068 3.068 . 0 0 "[ ]" 1
473 1 38 ASN H 1 39 ALA HA . . 5.170 4.500 4.500 4.500 . 0 0 "[ ]" 1
474 1 38 ASN H 1 39 ALA MB . . 7.030 3.794 3.794 3.794 . 0 0 "[ ]" 1
475 1 38 ASN H 1 41 LEU QD . . 8.600 5.664 5.664 5.664 . 0 0 "[ ]" 1
476 1 38 ASN HB2 1 39 ALA H . . 5.030 4.385 4.385 4.385 . 0 0 "[ ]" 1
477 1 38 ASN HB3 1 39 ALA H . . 5.030 4.742 4.742 4.742 . 0 0 "[ ]" 1
478 1 39 ALA H 1 41 LEU MD1 . . 7.030 4.324 4.324 4.324 . 0 0 "[ ]" 1
479 1 39 ALA H 1 41 LEU QD . . 6.280 4.217 4.217 4.217 . 0 0 "[ ]" 1
480 1 39 ALA H 1 41 LEU MD2 . . 7.030 5.851 5.851 5.851 . 0 0 "[ ]" 1
481 1 39 ALA H 1 46 ARG QG . . 6.880 5.156 5.156 5.156 . 0 0 "[ ]" 1
482 1 39 ALA HA 1 41 LEU QD . . 6.690 3.336 3.336 3.336 . 0 0 "[ ]" 1
483 1 40 ASP CG 3 1 CA CA . . 4.000 4.005 4.005 4.005 0.005 1 0 "[ ]" 1
484 1 40 ASP H 1 40 ASP HB2 . . 3.520 3.019 3.019 3.019 . 0 0 "[ ]" 1
485 1 40 ASP H 1 40 ASP QB . . 3.330 2.179 2.179 2.179 . 0 0 "[ ]" 1
486 1 40 ASP H 1 40 ASP HB3 . . 3.520 2.235 2.235 2.235 . 0 0 "[ ]" 1
487 1 40 ASP H 1 41 LEU H . . 4.880 4.575 4.575 4.575 . 0 0 "[ ]" 1
488 1 40 ASP H 1 41 LEU QD . . 7.050 3.383 3.383 3.383 . 0 0 "[ ]" 1
489 1 40 ASP H 1 41 LEU HG . . 5.860 4.404 4.404 4.404 . 0 0 "[ ]" 1
490 1 40 ASP H 1 46 ARG QG . . 6.880 4.763 4.763 4.763 . 0 0 "[ ]" 1
491 1 40 ASP H 1 55 LEU HG . . 6.000 8.944 8.944 8.944 2.944 1 1 [+] 1
492 1 40 ASP HA 1 41 LEU H . . 3.120 2.388 2.388 2.388 . 0 0 "[ ]" 1
493 1 40 ASP HA 1 41 LEU HG . . 6.000 4.271 4.271 4.271 . 0 0 "[ ]" 1
494 1 40 ASP QB 1 43 GLU H . . 5.800 4.018 4.018 4.018 . 0 0 "[ ]" 1
495 1 40 ASP HB2 1 41 LEU H . . 5.140 3.859 3.859 3.859 . 0 0 "[ ]" 1
496 1 40 ASP HB3 1 41 LEU H . . 5.140 4.112 4.112 4.112 . 0 0 "[ ]" 1
497 1 41 LEU H 1 42 ASN H . . 3.300 1.873 1.873 1.873 . 0 0 "[ ]" 1
498 1 41 LEU H 1 51 ASP HB2 . . 6.000 5.440 5.440 5.440 . 0 0 "[ ]" 1
499 1 41 LEU H 1 51 ASP QB . . 5.420 4.794 4.794 4.794 . 0 0 "[ ]" 1
500 1 41 LEU H 1 51 ASP HB3 . . 6.000 5.327 5.327 5.327 . 0 0 "[ ]" 1
501 1 41 LEU H 1 55 LEU QD . . 8.420 5.716 5.716 5.716 . 0 0 "[ ]" 1
502 1 41 LEU HA 1 41 LEU HG . . 3.910 2.663 2.663 2.663 . 0 0 "[ ]" 1
503 1 41 LEU HA 1 43 GLU H . . 4.240 3.840 3.840 3.840 . 0 0 "[ ]" 1
504 1 41 LEU HA 1 66 LEU QD . . 8.600 6.107 6.107 6.107 . 0 0 "[ ]" 1
505 1 41 LEU QB 1 42 ASN H . . 5.290 3.805 3.805 3.805 . 0 0 "[ ]" 1
506 1 41 LEU QB 1 51 ASP HA . . 6.880 5.652 5.652 5.652 . 0 0 "[ ]" 1
507 1 41 LEU QB 1 66 LEU QD . . 8.790 3.921 3.921 3.921 . 0 0 "[ ]" 1
508 1 41 LEU QD 1 51 ASP HA . . 8.600 4.872 4.872 4.872 . 0 0 "[ ]" 1
509 1 41 LEU QD 1 51 ASP QB . . 9.470 3.469 3.469 3.469 . 0 0 "[ ]" 1
510 1 41 LEU QD 1 58 TYR QE . . 10.730 4.472 4.472 4.472 . 0 0 "[ ]" 1
511 1 42 ASN H 1 43 GLU H . . 2.870 1.832 1.832 1.832 . 0 0 "[ ]" 1
512 1 42 ASN QB 1 50 THR H . . 6.880 6.081 6.081 6.081 . 0 0 "[ ]" 1
513 1 42 ASN QD 1 50 THR MG . . 6.190 2.566 2.566 2.566 . 0 0 "[ ]" 1
514 1 42 ASN HD21 1 50 THR MG . . 7.030 2.786 2.786 2.786 . 0 0 "[ ]" 1
515 1 42 ASN HD22 1 50 THR MG . . 7.030 3.003 3.003 3.003 . 0 0 "[ ]" 1
516 1 42 ASN OD1 3 1 CA CA . . 2.800 2.559 2.559 2.559 . 0 0 "[ ]" 1
517 1 43 GLU H 1 43 GLU HA . . 2.690 2.170 2.170 2.170 . 0 0 "[ ]" 1
518 1 43 GLU H 1 43 GLU HB2 . . 4.090 3.158 3.158 3.158 . 0 0 "[ ]" 1
519 1 43 GLU H 1 43 GLU HB3 . . 4.090 4.034 4.034 4.034 . 0 0 "[ ]" 1
520 1 43 GLU H 1 44 ASP H . . 3.480 2.806 2.806 2.806 . 0 0 "[ ]" 1
521 1 43 GLU H 1 45 GLY H . . 6.000 4.221 4.221 4.221 . 0 0 "[ ]" 1
522 1 43 GLU HA 1 44 ASP H . . 3.440 2.721 2.721 2.721 . 0 0 "[ ]" 1
523 1 43 GLU HA 1 45 GLY H . . 3.800 3.922 3.922 3.922 0.122 1 0 "[ ]" 1
524 1 43 GLU QB 1 45 GLY H . . 6.880 5.424 5.424 5.424 . 0 0 "[ ]" 1
525 1 43 GLU QG 1 44 ASP H . . 6.880 4.476 4.476 4.476 . 0 0 "[ ]" 1
526 1 44 ASP CG 3 1 CA CA . . 4.000 3.574 3.574 3.574 . 0 0 "[ ]" 1
527 1 44 ASP H 1 44 ASP QB . . 3.890 2.769 2.769 2.769 . 0 0 "[ ]" 1
528 1 44 ASP H 1 45 GLY H . . 2.980 1.848 1.848 1.848 . 0 0 "[ ]" 1
529 1 44 ASP H 1 45 GLY QA . . 6.410 3.818 3.818 3.818 . 0 0 "[ ]" 1
530 1 44 ASP QB 1 48 ASN HA . . 5.360 4.877 4.877 4.877 . 0 0 "[ ]" 1
531 1 45 GLY H 1 46 ARG H . . 3.160 3.109 3.109 3.109 . 0 0 "[ ]" 1
532 1 45 GLY H 1 46 ARG QB . . 6.340 5.340 5.340 5.340 . 0 0 "[ ]" 1
533 1 45 GLY QA 1 47 VAL QG . . 9.000 5.610 5.610 5.610 . 0 0 "[ ]" 1
534 1 46 ARG H 1 46 ARG HB2 . . 3.950 2.762 2.762 2.762 . 0 0 "[ ]" 1
535 1 46 ARG H 1 46 ARG QB . . 3.510 2.700 2.700 2.700 . 0 0 "[ ]" 1
536 1 46 ARG H 1 46 ARG HB3 . . 3.950 3.808 3.808 3.808 . 0 0 "[ ]" 1
537 1 46 ARG QB 1 47 VAL QG . . 7.740 2.403 2.403 2.403 . 0 0 "[ ]" 1
538 1 46 ARG QB 1 48 ASN QD . . 7.740 3.704 3.704 3.704 . 0 0 "[ ]" 1
539 1 46 ARG QG 1 47 VAL QG . . 8.490 3.812 3.812 3.812 . 0 0 "[ ]" 1
540 1 46 ARG O 3 1 CA CA . . 2.800 2.853 2.853 2.853 0.053 1 0 "[ ]" 1
541 1 47 VAL HA 1 48 ASN H . . 2.830 2.310 2.310 2.310 . 0 0 "[ ]" 1
542 1 47 VAL HA 1 51 ASP H . . 4.990 3.207 3.207 3.207 . 0 0 "[ ]" 1
543 1 47 VAL QG 1 48 ASN H . . 7.110 3.801 3.801 3.801 . 0 0 "[ ]" 1
544 1 47 VAL QG 1 48 ASN HA . . 8.120 4.190 4.190 4.190 . 0 0 "[ ]" 1
545 1 47 VAL QG 1 56 LYS QB . . 7.630 5.471 5.471 5.471 . 0 0 "[ ]" 1
546 1 48 ASN H 1 48 ASN QB . . 3.760 2.227 2.227 2.227 . 0 0 "[ ]" 1
547 1 48 ASN H 1 50 THR HB . . 6.000 4.608 4.608 4.608 . 0 0 "[ ]" 1
548 1 48 ASN H 1 51 ASP H . . 3.620 3.682 3.682 3.682 0.062 1 0 "[ ]" 1
549 1 48 ASN H 1 52 LEU H . . 5.780 4.086 4.086 4.086 . 0 0 "[ ]" 1
550 1 48 ASN HA 1 50 THR H . . 5.170 5.109 5.109 5.109 . 0 0 "[ ]" 1
551 1 48 ASN QD 1 49 SER HA . . 6.870 6.014 6.014 6.014 . 0 0 "[ ]" 1
552 1 48 ASN QD 1 51 ASP QB . . 7.060 4.975 4.975 4.975 . 0 0 "[ ]" 1
553 1 49 SER H 1 50 THR HB . . 4.020 3.738 3.738 3.738 . 0 0 "[ ]" 1
554 1 50 THR H 1 50 THR HB . . 3.770 2.219 2.219 2.219 . 0 0 "[ ]" 1
555 1 50 THR H 1 51 ASP H . . 3.800 2.607 2.607 2.607 . 0 0 "[ ]" 1
556 1 50 THR HA 1 53 GLY H . . 4.630 4.069 4.069 4.069 . 0 0 "[ ]" 1
557 1 50 THR HB 1 51 ASP H . . 3.910 2.607 2.607 2.607 . 0 0 "[ ]" 1
558 1 50 THR MG 1 51 ASP H . . 5.980 3.293 3.293 3.293 . 0 0 "[ ]" 1
559 1 51 ASP H 1 51 ASP HB2 . . 3.620 2.291 2.291 2.291 . 0 0 "[ ]" 1
560 1 51 ASP H 1 51 ASP QB . . 3.280 2.264 2.264 2.264 . 0 0 "[ ]" 1
561 1 51 ASP H 1 51 ASP HB3 . . 3.620 3.522 3.522 3.522 . 0 0 "[ ]" 1
562 1 51 ASP H 1 52 LEU H . . 3.190 2.452 2.452 2.452 . 0 0 "[ ]" 1
563 1 51 ASP H 1 52 LEU QB . . 5.900 3.994 3.994 3.994 . 0 0 "[ ]" 1
564 1 51 ASP H 1 55 LEU QD . . 8.350 4.810 4.810 4.810 . 0 0 "[ ]" 1
565 1 51 ASP HA 1 54 ILE H . . 4.340 3.361 3.361 3.361 . 0 0 "[ ]" 1
566 1 51 ASP HA 1 54 ILE HB . . 3.730 2.622 2.622 2.622 . 0 0 "[ ]" 1
567 1 51 ASP HA 1 54 ILE MG . . 7.030 3.225 3.225 3.225 . 0 0 "[ ]" 1
568 1 51 ASP QB 1 52 LEU H . . 3.590 2.509 2.509 2.509 . 0 0 "[ ]" 1
569 1 51 ASP QB 1 52 LEU QD . . 9.470 4.945 4.945 4.945 . 0 0 "[ ]" 1
570 1 51 ASP QB 1 55 LEU QD . . 8.360 1.962 1.962 1.962 . 0 0 "[ ]" 1
571 1 51 ASP HB2 1 52 LEU H . . 3.980 2.571 2.571 2.571 . 0 0 "[ ]" 1
572 1 51 ASP HB3 1 52 LEU H . . 3.980 3.501 3.501 3.501 . 0 0 "[ ]" 1
573 1 51 ASP OD1 3 1 CA CA . . 2.800 2.827 2.827 2.827 0.027 1 0 "[ ]" 1
574 1 51 ASP OD2 3 1 CA CA . . 2.800 2.123 2.123 2.123 . 0 0 "[ ]" 1
575 1 52 LEU H 1 52 LEU HB2 . . 4.020 3.029 3.029 3.029 . 0 0 "[ ]" 1
576 1 52 LEU H 1 52 LEU QB . . 3.400 2.005 2.005 2.005 . 0 0 "[ ]" 1
577 1 52 LEU H 1 52 LEU HB3 . . 4.020 2.035 2.035 2.035 . 0 0 "[ ]" 1
578 1 52 LEU H 1 52 LEU HG . . 3.550 3.863 3.863 3.863 0.313 1 0 "[ ]" 1
579 1 52 LEU H 1 53 GLY H . . 3.190 3.035 3.035 3.035 . 0 0 "[ ]" 1
580 1 52 LEU H 1 54 ILE QG . . 5.980 6.785 6.785 6.785 0.805 1 1 [+] 1
581 1 52 LEU H 1 55 LEU QD . . 7.010 4.204 4.204 4.204 . 0 0 "[ ]" 1
582 1 52 LEU HA 1 52 LEU HG . . 4.160 3.669 3.669 3.669 . 0 0 "[ ]" 1
583 1 52 LEU HA 1 55 LEU H . . 3.840 3.621 3.621 3.621 . 0 0 "[ ]" 1
584 1 52 LEU HA 1 55 LEU QB . . 5.260 2.380 2.380 2.380 . 0 0 "[ ]" 1
585 1 52 LEU HA 1 56 LYS H . . 4.850 4.091 4.091 4.091 . 0 0 "[ ]" 1
586 1 52 LEU QB 1 53 GLY H . . 3.580 3.005 3.005 3.005 . 0 0 "[ ]" 1
587 1 52 LEU HB2 1 53 GLY H . . 4.090 4.134 4.134 4.134 0.044 1 0 "[ ]" 1
588 1 52 LEU HB3 1 53 GLY H . . 4.090 3.086 3.086 3.086 . 0 0 "[ ]" 1
589 1 52 LEU QD 1 55 LEU QB . . 9.470 3.327 3.327 3.327 . 0 0 "[ ]" 1
590 1 52 LEU QD 1 56 LYS H . . 8.600 3.275 3.275 3.275 . 0 0 "[ ]" 1
591 1 52 LEU QD 1 56 LYS QG . . 9.010 2.427 2.427 2.427 . 0 0 "[ ]" 1
592 1 52 LEU MD1 1 53 GLY H . . 7.030 3.492 3.492 3.492 . 0 0 "[ ]" 1
593 1 52 LEU MD2 1 53 GLY H . . 7.030 3.874 3.874 3.874 . 0 0 "[ ]" 1
594 1 52 LEU HG 1 53 GLY H . . 4.630 2.393 2.393 2.393 . 0 0 "[ ]" 1
595 1 53 GLY H 1 54 ILE H . . 3.480 2.963 2.963 2.963 . 0 0 "[ ]" 1
596 1 53 GLY H 1 54 ILE QG . . 6.880 5.532 5.532 5.532 . 0 0 "[ ]" 1
597 1 53 GLY H 1 56 LYS QB . . 6.120 5.742 5.742 5.742 . 0 0 "[ ]" 1
598 1 53 GLY QA 1 55 LEU QD . . 6.850 4.995 4.995 4.995 . 0 0 "[ ]" 1
599 1 53 GLY QA 1 56 LYS H . . 5.830 3.413 3.413 3.413 . 0 0 "[ ]" 1
600 1 53 GLY QA 1 56 LYS QB . . 6.350 3.935 3.935 3.935 . 0 0 "[ ]" 1
601 1 53 GLY QA 1 57 ARG QG . . 7.750 4.097 4.097 4.097 . 0 0 "[ ]" 1
602 1 54 ILE H 1 54 ILE HB . . 2.800 2.025 2.025 2.025 . 0 0 "[ ]" 1
603 1 54 ILE H 1 54 ILE MD . . 5.340 4.074 4.074 4.074 . 0 0 "[ ]" 1
604 1 54 ILE H 1 55 LEU H . . 3.370 2.812 2.812 2.812 . 0 0 "[ ]" 1
605 1 54 ILE H 1 55 LEU QD . . 7.520 4.107 4.107 4.107 . 0 0 "[ ]" 1
606 1 54 ILE HA 1 57 ARG H . . 3.910 3.400 3.400 3.400 . 0 0 "[ ]" 1
607 1 54 ILE HA 1 57 ARG QB . . 5.940 1.931 1.931 1.931 . 0 0 "[ ]" 1
608 1 54 ILE HA 1 57 ARG HG2 . . 6.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
609 1 54 ILE HA 1 57 ARG HG3 . . 6.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
610 1 54 ILE HA 1 58 TYR H . . 4.450 3.850 3.850 3.850 . 0 0 "[ ]" 1
611 1 54 ILE HA 1 58 TYR QD . . 8.140 4.409 4.409 4.409 . 0 0 "[ ]" 1
612 1 54 ILE HA 1 59 ILE MG . . 7.030 5.901 5.901 5.901 . 0 0 "[ ]" 1
613 1 54 ILE HA 1 66 LEU HG . . 5.890 5.853 5.853 5.853 . 0 0 "[ ]" 1
614 1 54 ILE HB 1 55 LEU H . . 3.050 3.290 3.290 3.290 0.240 1 0 "[ ]" 1
615 1 54 ILE MD 1 58 TYR H . . 6.960 3.980 3.980 3.980 . 0 0 "[ ]" 1
616 1 54 ILE MD 1 58 TYR QD . . 9.170 3.760 3.760 3.760 . 0 0 "[ ]" 1
617 1 54 ILE MD 1 58 TYR QE . . 9.160 5.537 5.537 5.537 . 0 0 "[ ]" 1
618 1 54 ILE MD 1 68 TYR H . . 7.030 3.969 3.969 3.969 . 0 0 "[ ]" 1
619 1 54 ILE MD 1 68 TYR QD . . 9.170 4.967 4.967 4.967 . 0 0 "[ ]" 1
620 1 54 ILE MD 1 68 TYR QE . . 9.160 6.566 6.566 6.566 . 0 0 "[ ]" 1
621 1 54 ILE QG 1 58 TYR H . . 6.880 5.558 5.558 5.558 . 0 0 "[ ]" 1
622 1 54 ILE QG 1 58 TYR QE . . 9.010 6.671 6.671 6.671 . 0 0 "[ ]" 1
623 1 54 ILE MG 1 55 LEU H . . 6.020 2.879 2.879 2.879 . 0 0 "[ ]" 1
624 1 54 ILE MG 1 55 LEU HA . . 6.990 3.075 3.075 3.075 . 0 0 "[ ]" 1
625 1 54 ILE MG 1 56 LYS H . . 7.030 5.015 5.015 5.015 . 0 0 "[ ]" 1
626 1 54 ILE MG 1 57 ARG H . . 7.030 4.275 4.275 4.275 . 0 0 "[ ]" 1
627 1 54 ILE MG 1 58 TYR QB . . 7.900 2.998 2.998 2.998 . 0 0 "[ ]" 1
628 1 54 ILE MG 1 68 TYR HB2 . . 6.380 4.340 4.340 4.340 . 0 0 "[ ]" 1
629 1 54 ILE MG 1 68 TYR HB3 . . 6.380 3.780 3.780 3.780 . 0 0 "[ ]" 1
630 1 54 ILE MG 1 68 TYR QD . . 9.170 5.004 5.004 5.004 . 0 0 "[ ]" 1
631 1 55 LEU H 1 55 LEU MD1 . . 4.980 4.146 4.146 4.146 . 0 0 "[ ]" 1
632 1 55 LEU H 1 55 LEU QD . . 4.630 2.303 2.303 2.303 . 0 0 "[ ]" 1
633 1 55 LEU H 1 55 LEU MD2 . . 4.980 2.314 2.314 2.314 . 0 0 "[ ]" 1
634 1 55 LEU HA 1 55 LEU HG . . 4.240 3.644 3.644 3.644 . 0 0 "[ ]" 1
635 1 55 LEU HA 1 58 TYR H . . 3.410 3.382 3.382 3.382 . 0 0 "[ ]" 1
636 1 55 LEU HA 1 58 TYR QB . . 5.220 3.962 3.962 3.962 . 0 0 "[ ]" 1
637 1 55 LEU HA 1 66 LEU MD1 . . 7.030 3.285 3.285 3.285 . 0 0 "[ ]" 1
638 1 55 LEU HA 1 66 LEU MD2 . . 7.030 5.719 5.719 5.719 . 0 0 "[ ]" 1
639 1 55 LEU HA 1 66 LEU HG . . 6.000 4.961 4.961 4.961 . 0 0 "[ ]" 1
640 1 55 LEU QB 1 56 LYS H . . 4.360 2.431 2.431 2.431 . 0 0 "[ ]" 1
641 1 55 LEU QD 1 56 LYS H . . 6.170 3.890 3.890 3.890 . 0 0 "[ ]" 1
642 1 55 LEU QD 1 58 TYR QD . . 8.350 2.736 2.736 2.736 . 0 0 "[ ]" 1
643 1 55 LEU QD 1 58 TYR QE . . 8.440 1.703 1.703 1.703 . 0 0 "[ ]" 1
644 1 55 LEU QD 1 59 ILE H . . 8.600 3.943 3.943 3.943 . 0 0 "[ ]" 1
645 1 55 LEU MD1 1 56 LYS H . . 6.490 4.496 4.496 4.496 . 0 0 "[ ]" 1
646 1 55 LEU MD1 1 58 TYR H . . 7.030 5.017 5.017 5.017 . 0 0 "[ ]" 1
647 1 55 LEU MD1 1 58 TYR QD . . 8.920 3.547 3.547 3.547 . 0 0 "[ ]" 1
648 1 55 LEU MD1 1 58 TYR QE . . 9.160 1.826 1.826 1.826 . 0 0 "[ ]" 1
649 1 55 LEU MD2 1 56 LYS H . . 6.490 4.259 4.259 4.259 . 0 0 "[ ]" 1
650 1 55 LEU MD2 1 58 TYR H . . 7.030 4.655 4.655 4.655 . 0 0 "[ ]" 1
651 1 55 LEU MD2 1 58 TYR QD . . 8.920 2.846 2.846 2.846 . 0 0 "[ ]" 1
652 1 55 LEU MD2 1 58 TYR QE . . 9.160 2.036 2.036 2.036 . 0 0 "[ ]" 1
653 1 56 LYS H 1 56 LYS QD . . 5.110 4.296 4.296 4.296 . 0 0 "[ ]" 1
654 1 56 LYS H 1 57 ARG H . . 3.300 2.664 2.664 2.664 . 0 0 "[ ]" 1
655 1 56 LYS H 1 59 ILE MD . . 7.030 4.685 4.685 4.685 . 0 0 "[ ]" 1
656 1 56 LYS H 1 59 ILE HG12 . . 6.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
657 1 56 LYS H 1 59 ILE QG . . 5.270 3.391 3.391 3.391 . 0 0 "[ ]" 1
658 1 56 LYS H 1 59 ILE HG13 . . 6.000 4.357 4.357 4.357 . 0 0 "[ ]" 1
659 1 56 LYS H 1 59 ILE MG . . 7.030 3.907 3.907 3.907 . 0 0 "[ ]" 1
660 1 56 LYS HA 1 59 ILE H . . 5.640 3.651 3.651 3.651 . 0 0 "[ ]" 1
661 1 56 LYS HA 1 59 ILE HB . . 5.420 4.464 4.464 4.464 . 0 0 "[ ]" 1
662 1 56 LYS HA 1 59 ILE MD . . 6.060 2.691 2.691 2.691 . 0 0 "[ ]" 1
663 1 56 LYS HA 1 59 ILE QG . . 6.410 1.751 1.751 1.751 . 0 0 "[ ]" 1
664 1 56 LYS HA 1 59 ILE MG . . 6.850 3.501 3.501 3.501 . 0 0 "[ ]" 1
665 1 56 LYS HA 1 60 LEU QB . . 5.760 4.426 4.426 4.426 . 0 0 "[ ]" 1
666 1 56 LYS HA 1 60 LEU QD . . 8.130 4.075 4.075 4.075 . 0 0 "[ ]" 1
667 1 56 LYS QD 1 58 TYR H . . 6.800 6.553 6.553 6.553 . 0 0 "[ ]" 1
668 1 56 LYS QE 1 60 LEU QD . . 9.010 3.364 3.364 3.364 . 0 0 "[ ]" 1
669 1 56 LYS QG 1 60 LEU QD . . 9.010 4.384 4.384 4.384 . 0 0 "[ ]" 1
670 1 57 ARG H 1 57 ARG HB2 . . 3.050 2.170 2.170 2.170 . 0 0 "[ ]" 1
671 1 57 ARG H 1 57 ARG QB . . 2.740 2.133 2.133 2.133 . 0 0 "[ ]" 1
672 1 57 ARG H 1 57 ARG HB3 . . 3.050 3.139 3.139 3.139 0.089 1 0 "[ ]" 1
673 1 57 ARG H 1 57 ARG HG2 . . 4.560 4.259 4.259 4.259 . 0 0 "[ ]" 1
674 1 57 ARG H 1 57 ARG QG . . 4.230 3.636 3.636 3.636 . 0 0 "[ ]" 1
675 1 57 ARG H 1 57 ARG HG3 . . 4.560 3.945 3.945 3.945 . 0 0 "[ ]" 1
676 1 57 ARG H 1 58 TYR H . . 3.260 2.308 2.308 2.308 . 0 0 "[ ]" 1
677 1 57 ARG HA 1 60 LEU QB . . 4.610 3.160 3.160 3.160 . 0 0 "[ ]" 1
678 1 57 ARG HA 1 60 LEU QD . . 7.700 3.267 3.267 3.267 . 0 0 "[ ]" 1
679 1 57 ARG QB 1 58 TYR H . . 3.910 2.606 2.606 2.606 . 0 0 "[ ]" 1
680 1 57 ARG QB 1 66 LEU HA . . 6.880 6.082 6.082 6.082 . 0 0 "[ ]" 1
681 1 57 ARG QB 1 66 LEU HG . . 6.230 5.777 5.777 5.777 . 0 0 "[ ]" 1
682 1 57 ARG HB2 1 58 TYR H . . 4.560 3.134 3.134 3.134 . 0 0 "[ ]" 1
683 1 57 ARG HB3 1 58 TYR H . . 4.560 2.786 2.786 2.786 . 0 0 "[ ]" 1
684 1 58 TYR H 1 58 TYR HB2 . . 3.370 3.456 3.456 3.456 0.086 1 0 "[ ]" 1
685 1 58 TYR H 1 58 TYR QB . . 3.110 2.165 2.165 2.165 . 0 0 "[ ]" 1
686 1 58 TYR H 1 58 TYR HB3 . . 3.370 2.187 2.187 2.187 . 0 0 "[ ]" 1
687 1 58 TYR H 1 66 LEU QD . . 8.600 4.541 4.541 4.541 . 0 0 "[ ]" 1
688 1 58 TYR H 1 66 LEU HG . . 5.320 5.084 5.084 5.084 . 0 0 "[ ]" 1
689 1 58 TYR HA 1 60 LEU H . . 4.200 3.447 3.447 3.447 . 0 0 "[ ]" 1
690 1 58 TYR HA 1 62 GLU H . . 3.730 3.661 3.661 3.661 . 0 0 "[ ]" 1
691 1 58 TYR QB 1 59 ILE H . . 3.900 3.372 3.372 3.372 . 0 0 "[ ]" 1
692 1 58 TYR QB 1 59 ILE QG . . 7.750 5.148 5.148 5.148 . 0 0 "[ ]" 1
693 1 58 TYR QB 1 60 LEU H . . 5.870 4.558 4.558 4.558 . 0 0 "[ ]" 1
694 1 58 TYR QB 1 61 LYS H . . 6.410 5.189 5.189 5.189 . 0 0 "[ ]" 1
695 1 58 TYR QB 1 63 ILE MD . . 7.690 5.277 5.277 5.277 . 0 0 "[ ]" 1
696 1 58 TYR QB 1 63 ILE MG . . 7.900 5.550 5.550 5.550 . 0 0 "[ ]" 1
697 1 58 TYR QB 1 65 THR MG . . 7.900 4.621 4.621 4.621 . 0 0 "[ ]" 1
698 1 58 TYR QB 1 66 LEU QD . . 7.040 3.287 3.287 3.287 . 0 0 "[ ]" 1
699 1 58 TYR QB 1 66 LEU HG . . 5.720 2.984 2.984 2.984 . 0 0 "[ ]" 1
700 1 58 TYR HB2 1 59 ILE H . . 4.600 4.103 4.103 4.103 . 0 0 "[ ]" 1
701 1 58 TYR HB2 1 66 LEU MD1 . . 8.780 4.083 4.083 4.083 . 0 0 "[ ]" 1
702 1 58 TYR HB2 1 66 LEU MD2 . . 8.780 4.797 4.797 4.797 . 0 0 "[ ]" 1
703 1 58 TYR HB2 1 66 LEU HG . . 6.000 3.535 3.535 3.535 . 0 0 "[ ]" 1
704 1 58 TYR HB3 1 59 ILE H . . 4.600 3.585 3.585 3.585 . 0 0 "[ ]" 1
705 1 58 TYR HB3 1 66 LEU MD1 . . 8.780 3.680 3.680 3.680 . 0 0 "[ ]" 1
706 1 58 TYR HB3 1 66 LEU MD2 . . 8.780 4.702 4.702 4.702 . 0 0 "[ ]" 1
707 1 58 TYR HB3 1 66 LEU HG . . 6.000 3.216 3.216 3.216 . 0 0 "[ ]" 1
708 1 58 TYR QD 1 59 ILE H . . 8.140 3.164 3.164 3.164 . 0 0 "[ ]" 1
709 1 58 TYR QD 1 59 ILE HA . . 8.140 2.851 2.851 2.851 . 0 0 "[ ]" 1
710 1 58 TYR QD 1 59 ILE HG12 . . 8.140 5.113 5.113 5.113 . 0 0 "[ ]" 1
711 1 58 TYR QD 1 59 ILE HG13 . . 8.140 5.116 5.116 5.116 . 0 0 "[ ]" 1
712 1 58 TYR QD 1 61 LYS HA . . 8.140 6.150 6.150 6.150 . 0 0 "[ ]" 1
713 1 58 TYR QD 1 61 LYS QD . . 9.020 5.840 5.840 5.840 . 0 0 "[ ]" 1
714 1 58 TYR QD 1 63 ILE HB . . 8.140 3.075 3.075 3.075 . 0 0 "[ ]" 1
715 1 58 TYR QD 1 63 ILE MD . . 9.170 3.471 3.471 3.471 . 0 0 "[ ]" 1
716 1 58 TYR QD 1 63 ILE QG . . 9.020 4.600 4.600 4.600 . 0 0 "[ ]" 1
717 1 58 TYR QD 1 64 ASP HA . . 8.140 5.943 5.943 5.943 . 0 0 "[ ]" 1
718 1 58 TYR QD 1 65 THR HA . . 8.140 6.585 6.585 6.585 . 0 0 "[ ]" 1
719 1 58 TYR QD 1 66 LEU QB . . 9.020 3.111 3.111 3.111 . 0 0 "[ ]" 1
720 1 58 TYR QD 1 66 LEU MD1 . . 9.170 2.126 2.126 2.126 . 0 0 "[ ]" 1
721 1 58 TYR QD 1 66 LEU QD . . 8.980 2.120 2.120 2.120 . 0 0 "[ ]" 1
722 1 58 TYR QD 1 66 LEU MD2 . . 9.170 4.195 4.195 4.195 . 0 0 "[ ]" 1
723 1 58 TYR QD 1 66 LEU HG . . 8.140 2.922 2.922 2.922 . 0 0 "[ ]" 1
724 1 58 TYR QE 1 59 ILE HA . . 8.130 3.046 3.046 3.046 . 0 0 "[ ]" 1
725 1 58 TYR QE 1 59 ILE QG . . 9.010 4.603 4.603 4.603 . 0 0 "[ ]" 1
726 1 58 TYR QE 1 64 ASP HA . . 7.450 5.541 5.541 5.541 . 0 0 "[ ]" 1
727 1 58 TYR QE 1 65 THR HA . . 7.700 6.852 6.852 6.852 . 0 0 "[ ]" 1
728 1 58 TYR QE 1 65 THR MG . . 9.160 6.551 6.551 6.551 . 0 0 "[ ]" 1
729 1 58 TYR QE 1 66 LEU QB . . 9.010 3.356 3.356 3.356 . 0 0 "[ ]" 1
730 1 58 TYR QE 1 66 LEU MD1 . . 9.160 2.058 2.058 2.058 . 0 0 "[ ]" 1
731 1 58 TYR QE 1 66 LEU MD2 . . 9.160 4.506 4.506 4.506 . 0 0 "[ ]" 1
732 1 58 TYR QE 1 66 LEU HG . . 8.130 4.131 4.131 4.131 . 0 0 "[ ]" 1
733 1 59 ILE H 1 59 ILE HG12 . . 4.090 3.101 3.101 3.101 . 0 0 "[ ]" 1
734 1 59 ILE H 1 59 ILE QG . . 3.660 2.465 2.465 2.465 . 0 0 "[ ]" 1
735 1 59 ILE H 1 59 ILE HG13 . . 4.090 2.588 2.588 2.588 . 0 0 "[ ]" 1
736 1 59 ILE H 1 60 LEU H . . 3.230 2.590 2.590 2.590 . 0 0 "[ ]" 1
737 1 59 ILE H 1 61 LYS H . . 6.000 4.578 4.578 4.578 . 0 0 "[ ]" 1
738 1 59 ILE H 1 66 LEU QD . . 8.600 4.784 4.784 4.784 . 0 0 "[ ]" 1
739 1 59 ILE HA 1 61 LYS H . . 4.380 3.692 3.692 3.692 . 0 0 "[ ]" 1
740 1 59 ILE QG 1 60 LEU H . . 6.880 2.708 2.708 2.708 . 0 0 "[ ]" 1
741 1 59 ILE MG 1 61 LYS H . . 7.030 5.250 5.250 5.250 . 0 0 "[ ]" 1
742 1 59 ILE MG 1 66 LEU QB . . 5.850 4.335 4.335 4.335 . 0 0 "[ ]" 1
743 1 60 LEU H 1 61 LYS H . . 3.370 2.708 2.708 2.708 . 0 0 "[ ]" 1
744 1 60 LEU QB 1 61 LYS H . . 5.040 2.792 2.792 2.792 . 0 0 "[ ]" 1
745 1 60 LEU QB 1 63 ILE MD . . 7.900 7.159 7.159 7.159 . 0 0 "[ ]" 1
746 1 60 LEU QB 1 63 ILE MG . . 7.900 5.006 5.006 5.006 . 0 0 "[ ]" 1
747 1 60 LEU QD 1 61 LYS H . . 8.130 4.163 4.163 4.163 . 0 0 "[ ]" 1
748 1 60 LEU QD 1 62 GLU H . . 8.130 4.594 4.594 4.594 . 0 0 "[ ]" 1
749 1 61 LYS H 1 62 GLU H . . 3.230 1.833 1.833 1.833 . 0 0 "[ ]" 1
750 1 61 LYS HA 1 63 ILE H . . 3.910 3.399 3.399 3.399 . 0 0 "[ ]" 1
751 1 61 LYS QB 1 62 GLU H . . 4.460 3.582 3.582 3.582 . 0 0 "[ ]" 1
752 1 61 LYS QG 1 63 ILE H . . 6.800 4.356 4.356 4.356 . 0 0 "[ ]" 1
753 1 62 GLU H 1 62 GLU QB . . 3.570 2.061 2.061 2.061 . 0 0 "[ ]" 1
754 1 62 GLU H 1 62 GLU QG . . 4.900 3.007 3.007 3.007 . 0 0 "[ ]" 1
755 1 62 GLU H 1 63 ILE H . . 2.940 2.750 2.750 2.750 . 0 0 "[ ]" 1
756 1 62 GLU QB 1 63 ILE H . . 3.870 3.239 3.239 3.239 . 0 0 "[ ]" 1
757 1 62 GLU HB2 1 63 ILE H . . 4.160 3.532 3.532 3.532 . 0 0 "[ ]" 1
758 1 62 GLU HB3 1 63 ILE H . . 4.160 3.766 3.766 3.766 . 0 0 "[ ]" 1
759 1 63 ILE H 1 63 ILE HB . . 3.880 2.674 2.674 2.674 . 0 0 "[ ]" 1
760 1 63 ILE HA 1 64 ASP H . . 2.510 2.222 2.222 2.222 . 0 0 "[ ]" 1
761 1 63 ILE HB 1 64 ASP H . . 4.270 4.374 4.374 4.374 0.104 1 0 "[ ]" 1
762 1 63 ILE MD 1 66 LEU H . . 7.030 5.266 5.266 5.266 . 0 0 "[ ]" 1
763 1 63 ILE QG 1 64 ASP H . . 6.880 3.740 3.740 3.740 . 0 0 "[ ]" 1
764 1 63 ILE QG 1 65 THR H . . 6.160 5.381 5.381 5.381 . 0 0 "[ ]" 1
765 1 63 ILE MG 1 64 ASP H . . 7.030 4.421 4.421 4.421 . 0 0 "[ ]" 1
766 1 64 ASP H 1 65 THR H . . 3.910 1.876 1.876 1.876 . 0 0 "[ ]" 1
767 1 64 ASP HB2 1 65 THR H . . 4.490 3.603 3.603 3.603 . 0 0 "[ ]" 1
768 1 64 ASP HB3 1 65 THR H . . 4.490 2.788 2.788 2.788 . 0 0 "[ ]" 1
769 1 65 THR H 1 65 THR HB . . 3.910 2.629 2.629 2.629 . 0 0 "[ ]" 1
770 1 65 THR H 1 66 LEU QB . . 5.510 3.864 3.864 3.864 . 0 0 "[ ]" 1
771 1 65 THR HA 1 66 LEU QB . . 5.940 3.975 3.975 3.975 . 0 0 "[ ]" 1
772 1 65 THR HA 1 68 TYR QD . . 8.070 6.254 6.254 6.254 . 0 0 "[ ]" 1
773 1 65 THR HB 1 66 LEU H . . 4.200 3.378 3.378 3.378 . 0 0 "[ ]" 1
774 1 65 THR MG 1 66 LEU H . . 7.030 2.337 2.337 2.337 . 0 0 "[ ]" 1
775 1 65 THR MG 1 68 TYR QD . . 9.170 4.573 4.573 4.573 . 0 0 "[ ]" 1
776 1 66 LEU H 1 66 LEU QB . . 3.750 2.969 2.969 2.969 . 0 0 "[ ]" 1
777 1 66 LEU H 1 66 LEU HG . . 4.670 4.651 4.651 4.651 . 0 0 "[ ]" 1
778 1 66 LEU HA 1 68 TYR H . . 4.020 4.369 4.369 4.369 0.349 1 0 "[ ]" 1
779 1 66 LEU QB 1 68 TYR QD . . 9.020 3.877 3.877 3.877 . 0 0 "[ ]" 1
780 1 66 LEU QD 1 68 TYR H . . 7.880 1.862 1.862 1.862 . 0 0 "[ ]" 1
781 1 66 LEU QD 1 68 TYR QB . . 8.300 1.911 1.911 1.911 . 0 0 "[ ]" 1
782 1 66 LEU QD 1 68 TYR QD . . 10.740 1.845 1.845 1.845 . 0 0 "[ ]" 1
783 1 66 LEU QD 1 68 TYR QE . . 10.730 3.606 3.606 3.606 . 0 0 "[ ]" 1
784 1 66 LEU MD1 1 68 TYR HB2 . . 10.170 5.414 5.414 5.414 . 0 0 "[ ]" 1
785 1 66 LEU MD1 1 68 TYR HB3 . . 10.170 4.059 4.059 4.059 . 0 0 "[ ]" 1
786 1 66 LEU MD2 1 68 TYR HB2 . . 10.170 3.368 3.368 3.368 . 0 0 "[ ]" 1
787 1 66 LEU MD2 1 68 TYR HB3 . . 10.170 1.926 1.926 1.926 . 0 0 "[ ]" 1
788 1 66 LEU HG 1 68 TYR HB2 . . 6.000 5.470 5.470 5.470 . 0 0 "[ ]" 1
789 1 66 LEU HG 1 68 TYR HB3 . . 6.000 4.020 4.020 4.020 . 0 0 "[ ]" 1
790 1 66 LEU HG 1 68 TYR QD . . 8.140 4.194 4.194 4.194 . 0 0 "[ ]" 1
791 1 66 LEU HG 1 68 TYR QE . . 8.130 6.241 6.241 6.241 . 0 0 "[ ]" 1
792 1 68 TYR H 1 68 TYR QB . . 3.720 2.524 2.524 2.524 . 0 0 "[ ]" 1
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