Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595887 | 2n37 RC | 25636 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n37
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 703
_Distance_constraint_stats_list.Viol_count 421
_Distance_constraint_stats_list.Viol_total 208.242
_Distance_constraint_stats_list.Viol_max 0.109
_Distance_constraint_stats_list.Viol_rms 0.0066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0247
_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 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ARG 0.159 0.031 8 0 "[ . 1 . 2]"
1 5 PHE 0.209 0.031 8 0 "[ . 1 . 2]"
1 6 CYS 0.001 0.001 8 0 "[ . 1 . 2]"
1 7 VAL 0.082 0.026 16 0 "[ . 1 . 2]"
1 8 TYR 0.101 0.030 19 0 "[ . 1 . 2]"
1 9 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.171 0.032 7 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 HIS 0.900 0.046 12 0 "[ . 1 . 2]"
1 13 LEU 1.343 0.046 12 0 "[ . 1 . 2]"
1 14 PRO 0.632 0.041 6 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 THR 0.003 0.003 11 0 "[ . 1 . 2]"
1 17 ARG 0.125 0.041 6 0 "[ . 1 . 2]"
1 18 VAL 0.129 0.008 13 0 "[ . 1 . 2]"
1 19 LEU 0.135 0.030 19 0 "[ . 1 . 2]"
1 20 LEU 0.334 0.021 20 0 "[ . 1 . 2]"
1 21 MET 0.682 0.041 2 0 "[ . 1 . 2]"
1 22 TYR 0.723 0.041 2 0 "[ . 1 . 2]"
1 23 VAL 0.005 0.001 8 0 "[ . 1 . 2]"
1 24 ARG 0.184 0.040 12 0 "[ . 1 . 2]"
1 25 ILE 1.461 0.063 1 0 "[ . 1 . 2]"
1 26 GLY 1.018 0.063 1 0 "[ . 1 . 2]"
1 27 THR 0.350 0.040 12 0 "[ . 1 . 2]"
1 28 THR 0.025 0.018 14 0 "[ . 1 . 2]"
1 29 ALA 0.002 0.001 17 0 "[ . 1 . 2]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ILE 0.030 0.011 7 0 "[ . 1 . 2]"
1 32 THR 0.029 0.029 7 0 "[ . 1 . 2]"
1 33 ALA 0.264 0.040 13 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 HIS 0.066 0.037 6 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 0.049 0.030 20 0 "[ . 1 . 2]"
1 39 GLU 0.041 0.020 4 0 "[ . 1 . 2]"
1 40 VAL 0.413 0.041 12 0 "[ . 1 . 2]"
1 41 GLU 0.007 0.002 10 0 "[ . 1 . 2]"
1 42 ALA 0.002 0.001 17 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASP 1.838 0.091 8 0 "[ . 1 . 2]"
1 45 GLN 0.332 0.040 8 0 "[ . 1 . 2]"
1 46 ASN 0.024 0.012 8 0 "[ . 1 . 2]"
1 47 CYS 0.027 0.012 8 0 "[ . 1 . 2]"
1 48 LYS 0.022 0.008 17 0 "[ . 1 . 2]"
1 49 VAL 0.227 0.051 10 0 "[ . 1 . 2]"
1 50 ILE 0.032 0.020 17 0 "[ . 1 . 2]"
1 51 LEU 0.396 0.041 12 0 "[ . 1 . 2]"
1 52 THR 0.003 0.001 11 0 "[ . 1 . 2]"
1 53 ASN 0.054 0.030 4 0 "[ . 1 . 2]"
1 54 GLY 2.156 0.109 6 0 "[ . 1 . 2]"
1 55 LYS 0.057 0.030 4 0 "[ . 1 . 2]"
1 56 GLN 0.002 0.002 15 0 "[ . 1 . 2]"
1 57 ALA 0.061 0.030 15 0 "[ . 1 . 2]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 TRP 1.061 0.051 17 0 "[ . 1 . 2]"
1 61 LEU 0.725 0.051 10 0 "[ . 1 . 2]"
1 62 ALA 0.005 0.001 8 0 "[ . 1 . 2]"
1 63 ALA 0.002 0.001 8 0 "[ . 1 . 2]"
1 64 GLU 0.014 0.010 3 0 "[ . 1 . 2]"
1 65 PRO 0.014 0.010 3 0 "[ . 1 . 2]"
1 66 TYR 0.001 0.001 8 0 "[ . 1 . 2]"
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 PRO HA 1 3 ALA H . . 2.700 2.360 2.150 2.630 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HB2 1 3 ALA H . . 4.300 2.862 2.090 3.889 . 0 0 "[ . 1 . 2]" 1
3 1 2 PRO HB3 1 3 ALA H . . 4.300 3.618 3.216 4.253 . 0 0 "[ . 1 . 2]" 1
4 1 3 ALA H 1 3 ALA MB . . 3.300 2.218 2.032 2.457 . 0 0 "[ . 1 . 2]" 1
5 1 3 ALA HA 1 4 ARG H . . 2.700 2.203 2.142 2.307 . 0 0 "[ . 1 . 2]" 1
6 1 3 ALA MB 1 4 ARG H . . 4.000 3.009 2.611 3.431 . 0 0 "[ . 1 . 2]" 1
7 1 4 ARG H 1 4 ARG QB . . 3.700 2.765 2.538 3.149 . 0 0 "[ . 1 . 2]" 1
8 1 4 ARG H 1 4 ARG QG . . 4.500 2.977 2.001 4.216 . 0 0 "[ . 1 . 2]" 1
9 1 4 ARG H 1 5 PHE H . . 4.400 4.376 4.264 4.419 0.019 13 0 "[ . 1 . 2]" 1
10 1 4 ARG HA 1 5 PHE H . . 2.700 2.319 2.144 2.576 . 0 0 "[ . 1 . 2]" 1
11 1 4 ARG HA 1 5 PHE QD . . 4.600 3.466 2.828 4.052 . 0 0 "[ . 1 . 2]" 1
12 1 4 ARG QB 1 5 PHE H . . 3.600 2.755 2.062 3.239 . 0 0 "[ . 1 . 2]" 1
13 1 4 ARG QB 1 45 GLN QB . . 3.700 2.166 1.917 2.721 . 0 0 "[ . 1 . 2]" 1
14 1 4 ARG QG 1 5 PHE H . . 4.300 3.856 2.461 4.331 0.031 8 0 "[ . 1 . 2]" 1
15 1 5 PHE H 1 5 PHE QD . . 4.200 3.339 2.834 3.758 . 0 0 "[ . 1 . 2]" 1
16 1 5 PHE H 1 6 CYS H . . 4.500 4.408 4.359 4.458 . 0 0 "[ . 1 . 2]" 1
17 1 5 PHE H 1 66 TYR H . . 5.000 3.548 2.763 4.978 . 0 0 "[ . 1 . 2]" 1
18 1 5 PHE HA 1 5 PHE QD . . 4.200 3.019 2.834 3.067 . 0 0 "[ . 1 . 2]" 1
19 1 5 PHE HA 1 6 CYS H . . 2.700 2.445 2.233 2.592 . 0 0 "[ . 1 . 2]" 1
20 1 5 PHE HA 1 6 CYS HA . . 4.600 4.453 4.383 4.530 . 0 0 "[ . 1 . 2]" 1
21 1 5 PHE HA 1 24 ARG HA . . 4.500 4.008 3.614 4.298 . 0 0 "[ . 1 . 2]" 1
22 1 5 PHE HA 1 25 ILE H . . 4.000 3.525 3.321 3.748 . 0 0 "[ . 1 . 2]" 1
23 1 5 PHE QB 1 6 CYS H . . 4.200 2.368 2.047 2.859 . 0 0 "[ . 1 . 2]" 1
24 1 5 PHE QB 1 7 VAL QG . . 3.800 3.577 3.342 3.730 . 0 0 "[ . 1 . 2]" 1
25 1 5 PHE QB 1 22 TYR QD . . 4.400 3.683 3.103 4.126 . 0 0 "[ . 1 . 2]" 1
26 1 5 PHE QD 1 6 CYS H . . 4.200 3.212 2.636 3.691 . 0 0 "[ . 1 . 2]" 1
27 1 5 PHE QD 1 22 TYR HB3 . . 4.100 3.932 3.456 4.097 . 0 0 "[ . 1 . 2]" 1
28 1 5 PHE QD 1 22 TYR QD . . 4.300 4.191 3.742 4.310 0.010 13 0 "[ . 1 . 2]" 1
29 1 5 PHE QD 1 23 VAL H . . 4.600 4.349 4.034 4.558 . 0 0 "[ . 1 . 2]" 1
30 1 5 PHE QD 1 23 VAL HA . . 5.500 5.294 5.025 5.491 . 0 0 "[ . 1 . 2]" 1
31 1 5 PHE QD 1 24 ARG H . . 4.500 4.399 4.155 4.490 . 0 0 "[ . 1 . 2]" 1
32 1 5 PHE QD 1 24 ARG HA . . 3.900 2.417 1.999 2.758 . 0 0 "[ . 1 . 2]" 1
33 1 5 PHE QD 1 24 ARG QG . . 4.300 3.290 2.715 3.941 . 0 0 "[ . 1 . 2]" 1
34 1 5 PHE QE 1 24 ARG QB . . 3.400 2.590 2.132 2.870 . 0 0 "[ . 1 . 2]" 1
35 1 6 CYS H 1 22 TYR HB3 . . 5.400 5.315 5.129 5.360 . 0 0 "[ . 1 . 2]" 1
36 1 6 CYS H 1 23 VAL H . . 4.400 3.866 3.594 4.156 . 0 0 "[ . 1 . 2]" 1
37 1 6 CYS H 1 24 ARG HA . . 5.000 3.953 3.829 4.134 . 0 0 "[ . 1 . 2]" 1
38 1 6 CYS H 1 25 ILE H . . 5.000 4.399 4.091 4.773 . 0 0 "[ . 1 . 2]" 1
39 1 6 CYS HA 1 7 VAL H . . 2.700 2.239 2.144 2.424 . 0 0 "[ . 1 . 2]" 1
40 1 6 CYS HA 1 65 PRO HA . . 4.000 2.857 2.571 3.430 . 0 0 "[ . 1 . 2]" 1
41 1 6 CYS HA 1 66 TYR H . . 4.000 3.796 3.378 4.001 0.001 8 0 "[ . 1 . 2]" 1
42 1 6 CYS QB 1 23 VAL H . . 4.400 4.082 3.479 4.267 . 0 0 "[ . 1 . 2]" 1
43 1 6 CYS QB 1 23 VAL HB . . 4.200 2.837 2.016 3.112 . 0 0 "[ . 1 . 2]" 1
44 1 6 CYS QB 1 23 VAL MG2 . . 4.200 3.969 3.242 4.161 . 0 0 "[ . 1 . 2]" 1
45 1 6 CYS QB 1 47 CYS QB . . 3.500 2.746 2.287 3.073 . 0 0 "[ . 1 . 2]" 1
46 1 6 CYS QB 1 63 ALA MB . . 4.500 4.046 3.870 4.256 . 0 0 "[ . 1 . 2]" 1
47 1 7 VAL H 1 7 VAL HB . . 4.100 3.213 2.621 3.868 . 0 0 "[ . 1 . 2]" 1
48 1 7 VAL H 1 7 VAL MG1 . . 4.200 3.550 3.004 3.973 . 0 0 "[ . 1 . 2]" 1
49 1 7 VAL H 1 7 VAL MG2 . . 4.200 2.459 1.978 2.986 . 0 0 "[ . 1 . 2]" 1
50 1 7 VAL H 1 23 VAL H . . 5.000 5.000 4.997 5.001 0.001 8 0 "[ . 1 . 2]" 1
51 1 7 VAL H 1 63 ALA HA . . 5.000 4.987 4.903 5.001 0.001 8 0 "[ . 1 . 2]" 1
52 1 7 VAL H 1 64 GLU H . . 4.000 3.950 3.801 3.998 . 0 0 "[ . 1 . 2]" 1
53 1 7 VAL H 1 65 PRO HA . . 5.000 3.561 3.038 4.084 . 0 0 "[ . 1 . 2]" 1
54 1 7 VAL HA 1 8 TYR H . . 2.700 2.259 2.141 2.300 . 0 0 "[ . 1 . 2]" 1
55 1 7 VAL HA 1 8 TYR QD . . 5.100 4.981 4.815 5.077 . 0 0 "[ . 1 . 2]" 1
56 1 7 VAL HA 1 22 TYR HA . . 4.600 2.767 2.667 2.874 . 0 0 "[ . 1 . 2]" 1
57 1 7 VAL HA 1 23 VAL H . . 4.000 3.019 2.781 3.356 . 0 0 "[ . 1 . 2]" 1
58 1 7 VAL HB 1 8 TYR H . . 4.500 3.338 2.642 4.256 . 0 0 "[ . 1 . 2]" 1
59 1 7 VAL HB 1 9 TYR QD . . 5.100 4.122 3.562 4.836 . 0 0 "[ . 1 . 2]" 1
60 1 7 VAL HB 1 9 TYR QE . . 3.900 2.933 2.376 3.703 . 0 0 "[ . 1 . 2]" 1
61 1 7 VAL HB 1 22 TYR QD . . 5.500 5.013 4.386 5.483 . 0 0 "[ . 1 . 2]" 1
62 1 7 VAL QG 1 9 TYR QD . . 4.100 3.205 2.844 3.615 . 0 0 "[ . 1 . 2]" 1
63 1 7 VAL QG 1 9 TYR QE . . 3.800 2.314 1.918 2.912 . 0 0 "[ . 1 . 2]" 1
64 1 7 VAL QG 1 19 LEU MD1 . . 3.400 2.381 1.910 2.957 . 0 0 "[ . 1 . 2]" 1
65 1 7 VAL QG 1 19 LEU MD2 . . 4.300 3.325 2.312 3.960 . 0 0 "[ . 1 . 2]" 1
66 1 7 VAL QG 1 19 LEU HG . . 4.100 3.311 2.408 4.126 0.026 16 0 "[ . 1 . 2]" 1
67 1 7 VAL QG 1 23 VAL H . . 4.400 3.438 3.137 3.919 . 0 0 "[ . 1 . 2]" 1
68 1 7 VAL QG 1 64 GLU H . . 5.200 3.287 2.138 4.176 . 0 0 "[ . 1 . 2]" 1
69 1 7 VAL MG1 1 8 TYR H . . 4.300 2.823 1.930 3.698 . 0 0 "[ . 1 . 2]" 1
70 1 7 VAL MG1 1 22 TYR QD . . 4.700 2.979 2.074 4.016 . 0 0 "[ . 1 . 2]" 1
71 1 7 VAL MG1 1 22 TYR QE . . 4.400 3.005 2.315 3.782 . 0 0 "[ . 1 . 2]" 1
72 1 7 VAL MG2 1 8 TYR H . . 4.300 3.891 3.721 4.073 . 0 0 "[ . 1 . 2]" 1
73 1 7 VAL MG2 1 22 TYR QD . . 4.700 3.479 2.111 4.679 . 0 0 "[ . 1 . 2]" 1
74 1 7 VAL MG2 1 22 TYR QE . . 4.400 3.358 2.237 4.370 . 0 0 "[ . 1 . 2]" 1
75 1 8 TYR H 1 8 TYR QD . . 4.200 4.065 3.877 4.132 . 0 0 "[ . 1 . 2]" 1
76 1 8 TYR H 1 9 TYR H . . 5.000 4.430 4.343 4.529 . 0 0 "[ . 1 . 2]" 1
77 1 8 TYR H 1 19 LEU MD1 . . 4.800 4.643 4.321 4.830 0.030 19 0 "[ . 1 . 2]" 1
78 1 8 TYR H 1 20 LEU HB2 . . 4.500 4.068 3.924 4.316 . 0 0 "[ . 1 . 2]" 1
79 1 8 TYR H 1 21 MET H . . 4.400 3.414 3.305 3.555 . 0 0 "[ . 1 . 2]" 1
80 1 8 TYR H 1 23 VAL H . . 5.000 4.503 4.201 4.878 . 0 0 "[ . 1 . 2]" 1
81 1 8 TYR HA 1 8 TYR QD . . 4.500 2.257 2.235 2.274 . 0 0 "[ . 1 . 2]" 1
82 1 8 TYR HA 1 9 TYR H . . 2.700 2.190 2.155 2.300 . 0 0 "[ . 1 . 2]" 1
83 1 8 TYR HA 1 63 ALA HA . . 4.000 2.608 2.460 2.779 . 0 0 "[ . 1 . 2]" 1
84 1 8 TYR HA 1 63 ALA MB . . 4.500 3.029 2.497 3.290 . 0 0 "[ . 1 . 2]" 1
85 1 8 TYR HA 1 64 GLU H . . 5.000 3.680 3.470 4.071 . 0 0 "[ . 1 . 2]" 1
86 1 8 TYR QB 1 9 TYR H . . 4.100 3.423 3.082 3.551 . 0 0 "[ . 1 . 2]" 1
87 1 8 TYR QB 1 20 LEU HB2 . . 4.400 2.535 2.338 2.674 . 0 0 "[ . 1 . 2]" 1
88 1 8 TYR QB 1 20 LEU MD2 . . 4.800 4.467 4.246 4.597 . 0 0 "[ . 1 . 2]" 1
89 1 8 TYR QB 1 21 MET H . . 4.000 3.437 3.338 3.593 . 0 0 "[ . 1 . 2]" 1
90 1 8 TYR QB 1 21 MET HB3 . . 5.500 4.987 4.729 5.209 . 0 0 "[ . 1 . 2]" 1
91 1 8 TYR QB 1 31 ILE HB . . 5.500 4.558 4.274 4.975 . 0 0 "[ . 1 . 2]" 1
92 1 8 TYR QB 1 31 ILE MD . . 3.900 2.233 1.912 2.602 . 0 0 "[ . 1 . 2]" 1
93 1 8 TYR QB 1 61 LEU MD1 . . 4.400 4.374 4.309 4.402 0.002 13 0 "[ . 1 . 2]" 1
94 1 8 TYR QD 1 9 TYR H . . 4.300 3.670 3.489 3.755 . 0 0 "[ . 1 . 2]" 1
95 1 8 TYR QD 1 20 LEU MD1 . . 4.200 2.064 1.898 2.182 . 0 0 "[ . 1 . 2]" 1
96 1 8 TYR QD 1 31 ILE HB . . 4.500 3.784 3.599 4.012 . 0 0 "[ . 1 . 2]" 1
97 1 8 TYR QD 1 31 ILE MD . . 3.900 2.560 2.147 3.254 . 0 0 "[ . 1 . 2]" 1
98 1 8 TYR QD 1 40 VAL MG1 . . 4.300 3.808 3.638 4.074 . 0 0 "[ . 1 . 2]" 1
99 1 8 TYR QD 1 40 VAL MG2 . . 4.400 4.169 3.961 4.393 . 0 0 "[ . 1 . 2]" 1
100 1 8 TYR QD 1 61 LEU MD1 . . 3.800 3.070 3.010 3.102 . 0 0 "[ . 1 . 2]" 1
101 1 8 TYR QD 1 63 ALA MB . . 3.200 2.019 1.921 2.298 . 0 0 "[ . 1 . 2]" 1
102 1 8 TYR QE 1 9 TYR H . . 5.000 4.807 4.651 4.917 . 0 0 "[ . 1 . 2]" 1
103 1 8 TYR QE 1 31 ILE MD . . 4.500 3.599 3.332 4.248 . 0 0 "[ . 1 . 2]" 1
104 1 8 TYR QE 1 40 VAL MG1 . . 4.000 2.958 2.760 3.162 . 0 0 "[ . 1 . 2]" 1
105 1 8 TYR QE 1 40 VAL MG2 . . 4.400 4.232 3.967 4.420 0.020 8 0 "[ . 1 . 2]" 1
106 1 8 TYR QE 1 49 VAL MG1 . . 3.300 2.263 2.057 2.479 . 0 0 "[ . 1 . 2]" 1
107 1 8 TYR QE 1 61 LEU MD1 . . 4.300 2.046 1.927 2.130 . 0 0 "[ . 1 . 2]" 1
108 1 8 TYR QE 1 61 LEU MD2 . . 4.700 3.875 3.838 4.012 . 0 0 "[ . 1 . 2]" 1
109 1 8 TYR QE 1 63 ALA MB . . 3.500 2.053 1.895 2.279 . 0 0 "[ . 1 . 2]" 1
110 1 8 TYR HH 1 61 LEU HA . . 5.000 4.999 4.986 5.002 0.002 10 0 "[ . 1 . 2]" 1
111 1 8 TYR HH 1 62 ALA HA . . 5.000 4.997 4.987 5.001 0.001 8 0 "[ . 1 . 2]" 1
112 1 9 TYR H 1 9 TYR QD . . 4.300 3.162 2.851 3.694 . 0 0 "[ . 1 . 2]" 1
113 1 9 TYR H 1 10 ASP HA . . 5.000 4.856 4.773 4.924 . 0 0 "[ . 1 . 2]" 1
114 1 9 TYR H 1 20 LEU H . . 5.000 4.961 4.892 5.000 . 0 0 "[ . 1 . 2]" 1
115 1 9 TYR H 1 61 LEU MD1 . . 3.900 3.877 3.856 3.882 . 0 0 "[ . 1 . 2]" 1
116 1 9 TYR H 1 62 ALA H . . 4.000 3.944 3.866 3.997 . 0 0 "[ . 1 . 2]" 1
117 1 9 TYR H 1 62 ALA MB . . 4.400 4.139 3.999 4.396 . 0 0 "[ . 1 . 2]" 1
118 1 9 TYR H 1 63 ALA HA . . 4.000 3.108 2.873 3.303 . 0 0 "[ . 1 . 2]" 1
119 1 9 TYR H 1 64 GLU H . . 5.000 4.310 4.111 4.715 . 0 0 "[ . 1 . 2]" 1
120 1 9 TYR HA 1 9 TYR QD . . 4.200 2.796 2.317 3.050 . 0 0 "[ . 1 . 2]" 1
121 1 9 TYR HA 1 10 ASP H . . 2.700 2.552 2.482 2.590 . 0 0 "[ . 1 . 2]" 1
122 1 9 TYR HA 1 19 LEU HA . . 4.600 3.128 3.011 3.220 . 0 0 "[ . 1 . 2]" 1
123 1 9 TYR HA 1 20 LEU H . . 4.000 2.618 2.504 2.821 . 0 0 "[ . 1 . 2]" 1
124 1 9 TYR HA 1 20 LEU MD2 . . 4.700 3.877 3.641 4.163 . 0 0 "[ . 1 . 2]" 1
125 1 9 TYR HA 1 20 LEU HG . . 4.300 2.267 2.011 2.659 . 0 0 "[ . 1 . 2]" 1
126 1 9 TYR QB 1 62 ALA H . . 4.900 4.304 4.060 4.469 . 0 0 "[ . 1 . 2]" 1
127 1 9 TYR QB 1 62 ALA MB . . 3.800 3.261 3.089 3.439 . 0 0 "[ . 1 . 2]" 1
128 1 9 TYR QD 1 19 LEU HA . . 3.800 2.193 2.000 2.628 . 0 0 "[ . 1 . 2]" 1
129 1 9 TYR QD 1 19 LEU QB . . 3.900 3.574 3.293 3.874 . 0 0 "[ . 1 . 2]" 1
130 1 9 TYR QD 1 19 LEU MD1 . . 4.200 3.962 3.695 4.119 . 0 0 "[ . 1 . 2]" 1
131 1 9 TYR QE 1 19 LEU H . . 4.600 3.955 3.349 4.582 . 0 0 "[ . 1 . 2]" 1
132 1 9 TYR QE 1 19 LEU HA . . 4.500 2.887 2.700 3.160 . 0 0 "[ . 1 . 2]" 1
133 1 9 TYR QE 1 19 LEU QB . . 4.000 2.365 2.102 2.683 . 0 0 "[ . 1 . 2]" 1
134 1 9 TYR QE 1 19 LEU HG . . 4.000 3.259 2.499 3.856 . 0 0 "[ . 1 . 2]" 1
135 1 9 TYR QE 1 64 GLU HB2 . . 3.200 2.452 2.078 2.881 . 0 0 "[ . 1 . 2]" 1
136 1 9 TYR QE 1 64 GLU HB3 . . 4.300 3.526 3.134 3.952 . 0 0 "[ . 1 . 2]" 1
137 1 9 TYR QE 1 64 GLU QG . . 4.300 4.193 3.762 4.288 . 0 0 "[ . 1 . 2]" 1
138 1 10 ASP H 1 11 GLY H . . 4.500 4.479 4.470 4.482 . 0 0 "[ . 1 . 2]" 1
139 1 10 ASP H 1 18 VAL H . . 4.000 4.006 4.005 4.008 0.008 13 0 "[ . 1 . 2]" 1
140 1 10 ASP H 1 18 VAL HB . . 5.100 4.823 4.783 4.898 . 0 0 "[ . 1 . 2]" 1
141 1 10 ASP H 1 20 LEU MD2 . . 4.400 3.877 3.634 4.151 . 0 0 "[ . 1 . 2]" 1
142 1 10 ASP H 1 20 LEU HG . . 4.500 3.295 3.196 3.516 . 0 0 "[ . 1 . 2]" 1
143 1 10 ASP HA 1 11 GLY H . . 2.700 2.302 2.302 2.303 . 0 0 "[ . 1 . 2]" 1
144 1 10 ASP HA 1 11 GLY QA . . 4.300 3.910 3.910 3.911 . 0 0 "[ . 1 . 2]" 1
145 1 10 ASP HA 1 20 LEU MD2 . . 5.100 3.800 3.608 3.998 . 0 0 "[ . 1 . 2]" 1
146 1 10 ASP HA 1 60 TRP HE3 . . 3.700 3.591 3.470 3.732 0.032 7 0 "[ . 1 . 2]" 1
147 1 10 ASP HA 1 61 LEU HA . . 4.100 3.617 3.449 4.110 0.010 8 0 "[ . 1 . 2]" 1
148 1 10 ASP HA 1 61 LEU MD2 . . 4.700 3.544 3.391 3.822 . 0 0 "[ . 1 . 2]" 1
149 1 10 ASP QB 1 18 VAL H . . 4.800 4.414 4.364 4.498 . 0 0 "[ . 1 . 2]" 1
150 1 10 ASP QB 1 18 VAL HB . . 3.900 3.844 3.707 3.901 0.001 12 0 "[ . 1 . 2]" 1
151 1 10 ASP QB 1 20 LEU MD2 . . 4.000 2.207 1.981 2.585 . 0 0 "[ . 1 . 2]" 1
152 1 11 GLY H 1 12 HIS H . . 5.000 4.329 4.328 4.332 . 0 0 "[ . 1 . 2]" 1
153 1 11 GLY H 1 60 TRP HB2 . . 4.400 3.278 3.059 3.855 . 0 0 "[ . 1 . 2]" 1
154 1 11 GLY H 1 60 TRP HE3 . . 4.100 2.028 1.950 2.359 . 0 0 "[ . 1 . 2]" 1
155 1 11 GLY H 1 61 LEU MD2 . . 4.800 3.717 3.544 3.962 . 0 0 "[ . 1 . 2]" 1
156 1 11 GLY QA 1 60 TRP HA . . 4.200 3.420 3.193 3.970 . 0 0 "[ . 1 . 2]" 1
157 1 11 GLY QA 1 60 TRP HE3 . . 4.000 3.025 2.601 3.386 . 0 0 "[ . 1 . 2]" 1
158 1 11 GLY HA3 1 12 HIS H . . 5.000 3.406 3.405 3.407 . 0 0 "[ . 1 . 2]" 1
159 1 12 HIS H 1 12 HIS HD2 . . 5.100 4.953 4.510 5.129 0.029 5 0 "[ . 1 . 2]" 1
160 1 12 HIS H 1 13 LEU H . . 4.000 4.042 4.040 4.046 0.046 12 0 "[ . 1 . 2]" 1
161 1 12 HIS HA 1 13 LEU H . . 5.000 2.158 2.157 2.159 . 0 0 "[ . 1 . 2]" 1
162 1 12 HIS HA 1 13 LEU HA . . 4.900 4.344 4.343 4.345 . 0 0 "[ . 1 . 2]" 1
163 1 13 LEU H 1 13 LEU HG . . 4.400 4.175 4.162 4.184 . 0 0 "[ . 1 . 2]" 1
164 1 13 LEU HA 1 13 LEU MD1 . . 4.600 2.240 2.069 2.349 . 0 0 "[ . 1 . 2]" 1
165 1 13 LEU HA 1 13 LEU MD2 . . 4.600 3.789 3.786 3.791 . 0 0 "[ . 1 . 2]" 1
166 1 13 LEU HA 1 14 PRO HA . . 4.600 4.387 4.386 4.388 . 0 0 "[ . 1 . 2]" 1
167 1 13 LEU HA 1 14 PRO HD2 . . 4.000 2.515 2.514 2.516 . 0 0 "[ . 1 . 2]" 1
168 1 13 LEU HA 1 14 PRO HD3 . . 4.000 2.352 2.351 2.352 . 0 0 "[ . 1 . 2]" 1
169 1 13 LEU QB 1 14 PRO QD . . 4.400 2.161 2.155 2.167 . 0 0 "[ . 1 . 2]" 1
170 1 13 LEU QB 1 15 ALA H . . 4.200 2.083 2.081 2.085 . 0 0 "[ . 1 . 2]" 1
171 1 13 LEU QB 1 15 ALA MB . . 4.200 2.656 2.523 2.774 . 0 0 "[ . 1 . 2]" 1
172 1 13 LEU QB 1 16 THR H . . 4.300 3.324 3.177 3.371 . 0 0 "[ . 1 . 2]" 1
173 1 13 LEU QB 1 16 THR HB . . 5.500 5.034 4.745 5.503 0.003 11 0 "[ . 1 . 2]" 1
174 1 13 LEU QB 1 17 ARG H . . 5.400 4.687 4.677 4.729 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU HG 1 14 PRO HG2 . . 4.100 4.125 4.116 4.130 0.030 13 0 "[ . 1 . 2]" 1
176 1 13 LEU HG 1 14 PRO HG3 . . 5.200 4.406 4.396 4.415 . 0 0 "[ . 1 . 2]" 1
177 1 13 LEU HG 1 15 ALA H . . 4.400 4.140 4.131 4.147 . 0 0 "[ . 1 . 2]" 1
178 1 14 PRO HA 1 17 ARG H . . 4.600 3.195 3.164 3.296 . 0 0 "[ . 1 . 2]" 1
179 1 14 PRO HA 1 17 ARG HA . . 4.700 4.533 4.474 4.551 . 0 0 "[ . 1 . 2]" 1
180 1 14 PRO HA 1 17 ARG QB . . 4.600 2.137 2.060 2.232 . 0 0 "[ . 1 . 2]" 1
181 1 14 PRO HA 1 17 ARG QD . . 4.200 2.138 1.921 2.469 . 0 0 "[ . 1 . 2]" 1
182 1 14 PRO HA 1 17 ARG QG . . 4.700 3.614 3.214 3.956 . 0 0 "[ . 1 . 2]" 1
183 1 14 PRO QB 1 17 ARG QD . . 3.300 3.084 2.850 3.341 0.041 6 0 "[ . 1 . 2]" 1
184 1 14 PRO HG2 1 15 ALA HA . . 4.800 4.296 4.281 4.364 . 0 0 "[ . 1 . 2]" 1
185 1 15 ALA H 1 15 ALA MB . . 3.400 2.151 2.049 2.252 . 0 0 "[ . 1 . 2]" 1
186 1 15 ALA H 1 16 THR H . . 4.300 2.509 2.371 2.537 . 0 0 "[ . 1 . 2]" 1
187 1 15 ALA HA 1 16 THR H . . 5.000 3.520 3.483 3.526 . 0 0 "[ . 1 . 2]" 1
188 1 15 ALA MB 1 16 THR H . . 3.900 2.698 2.618 2.901 . 0 0 "[ . 1 . 2]" 1
189 1 16 THR H 1 16 THR MG . . 4.000 3.848 2.199 3.980 . 0 0 "[ . 1 . 2]" 1
190 1 16 THR H 1 17 ARG H . . 2.700 2.244 2.243 2.246 . 0 0 "[ . 1 . 2]" 1
191 1 16 THR H 1 17 ARG HA . . 4.200 4.105 4.104 4.106 . 0 0 "[ . 1 . 2]" 1
192 1 16 THR HA 1 16 THR MG . . 3.200 2.157 1.978 3.191 . 0 0 "[ . 1 . 2]" 1
193 1 16 THR HA 1 17 ARG H . . 5.000 2.963 2.962 2.964 . 0 0 "[ . 1 . 2]" 1
194 1 17 ARG H 1 17 ARG QD . . 5.300 3.528 2.905 4.136 . 0 0 "[ . 1 . 2]" 1
195 1 17 ARG H 1 17 ARG QG . . 3.900 3.034 2.330 3.848 . 0 0 "[ . 1 . 2]" 1
196 1 17 ARG HA 1 18 VAL H . . 2.700 2.385 2.358 2.392 . 0 0 "[ . 1 . 2]" 1
197 1 17 ARG QG 1 18 VAL H . . 3.900 2.930 2.166 3.458 . 0 0 "[ . 1 . 2]" 1
198 1 18 VAL H 1 18 VAL HB . . 4.000 2.893 2.853 2.924 . 0 0 "[ . 1 . 2]" 1
199 1 18 VAL H 1 18 VAL MG1 . . 4.700 3.950 3.924 3.967 . 0 0 "[ . 1 . 2]" 1
200 1 18 VAL H 1 18 VAL MG2 . . 3.700 2.925 2.834 3.013 . 0 0 "[ . 1 . 2]" 1
201 1 18 VAL H 1 19 LEU H . . 4.400 4.122 3.947 4.250 . 0 0 "[ . 1 . 2]" 1
202 1 18 VAL HA 1 18 VAL MG1 . . 3.600 2.310 2.224 2.392 . 0 0 "[ . 1 . 2]" 1
203 1 18 VAL HA 1 18 VAL MG2 . . 3.500 2.395 2.326 2.455 . 0 0 "[ . 1 . 2]" 1
204 1 18 VAL HA 1 19 LEU H . . 2.700 2.146 2.140 2.167 . 0 0 "[ . 1 . 2]" 1
205 1 18 VAL HB 1 19 LEU H . . 5.200 4.211 4.080 4.377 . 0 0 "[ . 1 . 2]" 1
206 1 18 VAL MG1 1 19 LEU H . . 3.700 2.694 2.354 3.001 . 0 0 "[ . 1 . 2]" 1
207 1 18 VAL MG1 1 19 LEU HA . . 5.200 4.177 4.010 4.310 . 0 0 "[ . 1 . 2]" 1
208 1 18 VAL MG2 1 19 LEU H . . 4.300 4.114 4.022 4.173 . 0 0 "[ . 1 . 2]" 1
209 1 19 LEU H 1 19 LEU QB . . 3.800 2.244 2.198 2.270 . 0 0 "[ . 1 . 2]" 1
210 1 19 LEU H 1 19 LEU MD1 . . 4.300 4.185 4.054 4.274 . 0 0 "[ . 1 . 2]" 1
211 1 19 LEU H 1 19 LEU MD2 . . 4.500 4.140 4.017 4.230 . 0 0 "[ . 1 . 2]" 1
212 1 19 LEU H 1 19 LEU HG . . 4.500 4.452 4.354 4.477 . 0 0 "[ . 1 . 2]" 1
213 1 19 LEU H 1 20 LEU H . . 5.000 4.571 4.538 4.603 . 0 0 "[ . 1 . 2]" 1
214 1 19 LEU HA 1 19 LEU MD1 . . 4.200 3.445 3.356 3.597 . 0 0 "[ . 1 . 2]" 1
215 1 19 LEU HA 1 19 LEU MD2 . . 4.500 3.444 3.186 3.577 . 0 0 "[ . 1 . 2]" 1
216 1 19 LEU HA 1 20 LEU H . . 2.700 2.176 2.158 2.203 . 0 0 "[ . 1 . 2]" 1
217 1 19 LEU HA 1 20 LEU HG . . 4.000 3.750 3.689 3.831 . 0 0 "[ . 1 . 2]" 1
218 1 19 LEU QB 1 20 LEU H . . 4.600 3.662 3.560 3.719 . 0 0 "[ . 1 . 2]" 1
219 1 19 LEU MD1 1 20 LEU H . . 4.400 4.206 4.089 4.375 . 0 0 "[ . 1 . 2]" 1
220 1 19 LEU MD1 1 21 MET H . . 4.900 4.494 4.251 4.782 . 0 0 "[ . 1 . 2]" 1
221 1 19 LEU MD1 1 22 TYR QD . . 4.400 3.645 3.281 3.972 . 0 0 "[ . 1 . 2]" 1
222 1 19 LEU MD1 1 22 TYR QE . . 3.800 2.520 1.975 3.062 . 0 0 "[ . 1 . 2]" 1
223 1 19 LEU MD2 1 20 LEU H . . 4.300 3.109 2.513 3.402 . 0 0 "[ . 1 . 2]" 1
224 1 19 LEU MD2 1 21 MET H . . 4.200 2.677 2.160 2.964 . 0 0 "[ . 1 . 2]" 1
225 1 19 LEU MD2 1 22 TYR QD . . 3.900 2.807 2.321 3.255 . 0 0 "[ . 1 . 2]" 1
226 1 19 LEU MD2 1 22 TYR QE . . 3.700 2.523 2.236 2.972 . 0 0 "[ . 1 . 2]" 1
227 1 20 LEU H 1 20 LEU HB2 . . 4.200 2.489 2.436 2.529 . 0 0 "[ . 1 . 2]" 1
228 1 20 LEU H 1 20 LEU MD1 . . 4.100 3.458 3.266 3.645 . 0 0 "[ . 1 . 2]" 1
229 1 20 LEU H 1 20 LEU MD2 . . 4.000 3.592 3.437 3.737 . 0 0 "[ . 1 . 2]" 1
230 1 20 LEU H 1 20 LEU HG . . 4.200 2.356 2.259 2.464 . 0 0 "[ . 1 . 2]" 1
231 1 20 LEU H 1 21 MET H . . 2.700 2.700 2.699 2.701 0.001 1 0 "[ . 1 . 2]" 1
232 1 20 LEU HA 1 20 LEU MD2 . . 3.200 2.389 2.256 2.531 . 0 0 "[ . 1 . 2]" 1
233 1 20 LEU HA 1 21 MET H . . 5.000 3.571 3.569 3.572 . 0 0 "[ . 1 . 2]" 1
234 1 20 LEU HB2 1 20 LEU MD1 . . 3.400 2.283 2.231 2.353 . 0 0 "[ . 1 . 2]" 1
235 1 20 LEU HB2 1 21 MET H . . 3.900 2.092 2.027 2.166 . 0 0 "[ . 1 . 2]" 1
236 1 20 LEU HB2 1 21 MET HB2 . . 5.300 3.873 3.777 3.976 . 0 0 "[ . 1 . 2]" 1
237 1 20 LEU HB3 1 20 LEU MD1 . . 3.600 2.445 2.351 2.547 . 0 0 "[ . 1 . 2]" 1
238 1 20 LEU HB3 1 20 LEU MD2 . . 3.500 2.152 2.063 2.245 . 0 0 "[ . 1 . 2]" 1
239 1 20 LEU HB3 1 21 MET H . . 4.100 3.218 3.126 3.287 . 0 0 "[ . 1 . 2]" 1
240 1 20 LEU HB3 1 21 MET HB2 . . 4.100 3.513 3.444 3.559 . 0 0 "[ . 1 . 2]" 1
241 1 20 LEU HB3 1 31 ILE MD . . 4.600 4.316 3.912 4.611 0.011 7 0 "[ . 1 . 2]" 1
242 1 20 LEU HB3 1 31 ILE MG . . 4.100 2.635 2.332 2.891 . 0 0 "[ . 1 . 2]" 1
243 1 20 LEU MD1 1 33 ALA MB . . 3.100 2.879 2.439 3.100 0.000 7 0 "[ . 1 . 2]" 1
244 1 20 LEU MD1 1 60 TRP HZ3 . . 4.600 4.613 4.560 4.621 0.021 20 0 "[ . 1 . 2]" 1
245 1 20 LEU MD2 1 60 TRP HZ3 . . 4.500 4.475 4.442 4.481 . 0 0 "[ . 1 . 2]" 1
246 1 20 LEU MD2 1 61 LEU MD1 . . 4.500 4.424 4.261 4.500 . 0 0 "[ . 1 . 2]" 1
247 1 20 LEU MD2 1 61 LEU MD2 . . 4.900 4.663 4.542 4.861 . 0 0 "[ . 1 . 2]" 1
248 1 21 MET HA 1 22 TYR H . . 2.700 2.332 2.305 2.366 . 0 0 "[ . 1 . 2]" 1
249 1 21 MET HA 1 22 TYR HA . . 5.300 4.334 4.331 4.340 . 0 0 "[ . 1 . 2]" 1
250 1 21 MET HA 1 22 TYR HB2 . . 4.600 4.564 4.349 4.631 0.031 7 0 "[ . 1 . 2]" 1
251 1 21 MET HB2 1 22 TYR H . . 4.200 4.125 4.081 4.164 . 0 0 "[ . 1 . 2]" 1
252 1 21 MET HB2 1 31 ILE MD . . 4.600 4.337 3.999 4.600 . 20 0 "[ . 1 . 2]" 1
253 1 21 MET HB2 1 31 ILE MG . . 4.200 3.018 2.598 3.320 . 0 0 "[ . 1 . 2]" 1
254 1 21 MET HB3 1 22 TYR H . . 3.800 2.975 2.841 3.121 . 0 0 "[ . 1 . 2]" 1
255 1 21 MET HB3 1 22 TYR HA . . 4.500 4.529 4.505 4.541 0.041 2 0 "[ . 1 . 2]" 1
256 1 21 MET HB3 1 23 VAL HA . . 5.500 5.259 5.059 5.407 . 0 0 "[ . 1 . 2]" 1
257 1 21 MET HB3 1 23 VAL MG2 . . 4.400 3.747 3.616 3.951 . 0 0 "[ . 1 . 2]" 1
258 1 21 MET QG 1 22 TYR H . . 4.200 2.868 2.521 3.512 . 0 0 "[ . 1 . 2]" 1
259 1 22 TYR H 1 22 TYR HB2 . . 4.100 2.333 2.181 2.392 . 0 0 "[ . 1 . 2]" 1
260 1 22 TYR H 1 22 TYR HB3 . . 4.100 3.582 3.457 3.608 . 0 0 "[ . 1 . 2]" 1
261 1 22 TYR H 1 22 TYR QD . . 3.800 2.370 2.145 2.860 . 0 0 "[ . 1 . 2]" 1
262 1 22 TYR H 1 23 VAL H . . 5.000 4.569 4.499 4.597 . 0 0 "[ . 1 . 2]" 1
263 1 22 TYR HA 1 22 TYR QD . . 4.400 3.027 2.493 3.121 . 0 0 "[ . 1 . 2]" 1
264 1 22 TYR HA 1 23 VAL H . . 2.700 2.218 2.150 2.317 . 0 0 "[ . 1 . 2]" 1
265 1 22 TYR HB3 1 23 VAL H . . 4.100 2.985 2.649 3.310 . 0 0 "[ . 1 . 2]" 1
266 1 22 TYR HB3 1 23 VAL HA . . 4.700 4.451 4.331 4.629 . 0 0 "[ . 1 . 2]" 1
267 1 22 TYR QD 1 23 VAL H . . 4.900 3.900 3.590 4.176 . 0 0 "[ . 1 . 2]" 1
268 1 23 VAL H 1 23 VAL HB . . 3.900 2.684 2.582 2.759 . 0 0 "[ . 1 . 2]" 1
269 1 23 VAL H 1 23 VAL MG1 . . 4.300 3.870 3.826 3.897 . 0 0 "[ . 1 . 2]" 1
270 1 23 VAL H 1 23 VAL MG2 . . 3.700 2.763 2.537 2.943 . 0 0 "[ . 1 . 2]" 1
271 1 23 VAL HA 1 23 VAL MG1 . . 3.500 2.366 2.289 2.394 . 0 0 "[ . 1 . 2]" 1
272 1 23 VAL HA 1 23 VAL MG2 . . 3.700 2.337 2.293 2.466 . 0 0 "[ . 1 . 2]" 1
273 1 23 VAL HA 1 24 ARG H . . 2.700 2.153 2.141 2.164 . 0 0 "[ . 1 . 2]" 1
274 1 23 VAL HB 1 42 ALA MB . . 4.200 3.903 3.617 4.091 . 0 0 "[ . 1 . 2]" 1
275 1 23 VAL MG1 1 24 ARG H . . 3.800 3.011 2.615 3.139 . 0 0 "[ . 1 . 2]" 1
276 1 23 VAL MG1 1 29 ALA H . . 4.500 3.775 3.652 3.955 . 0 0 "[ . 1 . 2]" 1
277 1 23 VAL MG1 1 29 ALA MB . . 3.200 3.170 3.168 3.171 . 0 0 "[ . 1 . 2]" 1
278 1 23 VAL MG1 1 40 VAL MG2 . . 3.800 2.663 2.410 2.858 . 0 0 "[ . 1 . 2]" 1
279 1 23 VAL MG1 1 42 ALA H . . 4.300 4.195 3.754 4.291 . 0 0 "[ . 1 . 2]" 1
280 1 23 VAL MG1 1 42 ALA MB . . 3.200 2.475 2.217 2.671 . 0 0 "[ . 1 . 2]" 1
281 1 23 VAL MG2 1 24 ARG H . . 4.200 4.154 4.106 4.162 . 0 0 "[ . 1 . 2]" 1
282 1 23 VAL MG2 1 31 ILE MD . . 3.700 2.097 1.846 2.427 . 0 0 "[ . 1 . 2]" 1
283 1 23 VAL MG2 1 31 ILE QG . . 4.200 2.880 2.525 3.129 . 0 0 "[ . 1 . 2]" 1
284 1 23 VAL MG2 1 40 VAL MG2 . . 3.100 2.728 2.343 2.925 . 0 0 "[ . 1 . 2]" 1
285 1 24 ARG H 1 24 ARG QB . . 3.700 2.465 2.242 2.629 . 0 0 "[ . 1 . 2]" 1
286 1 24 ARG H 1 24 ARG QG . . 4.400 2.894 2.073 4.026 . 0 0 "[ . 1 . 2]" 1
287 1 24 ARG H 1 27 THR MG . . 5.200 5.114 4.875 5.201 0.001 8 0 "[ . 1 . 2]" 1
288 1 24 ARG HA 1 24 ARG QD . . 4.500 3.821 3.600 4.071 . 0 0 "[ . 1 . 2]" 1
289 1 24 ARG HA 1 25 ILE H . . 2.700 2.200 2.176 2.226 . 0 0 "[ . 1 . 2]" 1
290 1 24 ARG HA 1 25 ILE HA . . 4.500 4.348 4.342 4.356 . 0 0 "[ . 1 . 2]" 1
291 1 24 ARG HA 1 25 ILE HB . . 4.900 4.848 4.823 4.876 . 0 0 "[ . 1 . 2]" 1
292 1 24 ARG QB 1 25 ILE H . . 4.600 3.172 2.862 3.676 . 0 0 "[ . 1 . 2]" 1
293 1 24 ARG QB 1 27 THR MG . . 4.000 3.938 3.741 3.994 . 0 0 "[ . 1 . 2]" 1
294 1 24 ARG QD 1 27 THR MG . . 5.300 4.719 3.559 5.340 0.040 12 0 "[ . 1 . 2]" 1
295 1 24 ARG QG 1 27 THR MG . . 5.300 5.195 4.939 5.304 0.004 16 0 "[ . 1 . 2]" 1
296 1 25 ILE H 1 25 ILE MD . . 4.200 3.400 3.047 3.634 . 0 0 "[ . 1 . 2]" 1
297 1 25 ILE H 1 25 ILE QG . . 3.600 2.013 1.994 2.049 . 0 0 "[ . 1 . 2]" 1
298 1 25 ILE H 1 25 ILE MG . . 4.200 3.789 3.785 3.798 . 0 0 "[ . 1 . 2]" 1
299 1 25 ILE HA 1 25 ILE MD . . 4.300 3.184 2.068 3.870 . 0 0 "[ . 1 . 2]" 1
300 1 25 ILE HA 1 25 ILE HG12 . . 4.100 2.863 2.630 3.236 . 0 0 "[ . 1 . 2]" 1
301 1 25 ILE HA 1 25 ILE HG13 . . 4.100 3.442 3.194 3.805 . 0 0 "[ . 1 . 2]" 1
302 1 25 ILE HA 1 26 GLY H . . 2.700 2.603 2.582 2.646 . 0 0 "[ . 1 . 2]" 1
303 1 25 ILE HA 1 27 THR H . . 4.000 4.007 4.003 4.011 0.011 18 0 "[ . 1 . 2]" 1
304 1 25 ILE HA 1 42 ALA MB . . 3.700 1.964 1.888 2.138 . 0 0 "[ . 1 . 2]" 1
305 1 25 ILE HA 1 43 LYS H . . 5.400 5.208 5.079 5.378 . 0 0 "[ . 1 . 2]" 1
306 1 25 ILE HB 1 25 ILE MD . . 3.300 2.726 2.348 3.230 . 0 0 "[ . 1 . 2]" 1
307 1 25 ILE HB 1 25 ILE QG . . 2.400 2.289 2.187 2.359 . 0 0 "[ . 1 . 2]" 1
308 1 25 ILE HB 1 26 GLY H . . 4.300 4.351 4.325 4.363 0.063 1 0 "[ . 1 . 2]" 1
309 1 25 ILE MD 1 25 ILE MG . . 3.300 2.065 1.960 2.146 . 0 0 "[ . 1 . 2]" 1
310 1 25 ILE MD 1 44 ASP HA . . 3.800 2.662 2.084 3.400 . 0 0 "[ . 1 . 2]" 1
311 1 25 ILE MD 1 45 GLN H . . 4.400 3.689 3.055 4.431 0.031 5 0 "[ . 1 . 2]" 1
312 1 25 ILE MD 1 45 GLN HA . . 3.900 3.166 2.604 3.853 . 0 0 "[ . 1 . 2]" 1
313 1 25 ILE QG 1 25 ILE MG . . 3.200 2.254 2.216 2.295 . 0 0 "[ . 1 . 2]" 1
314 1 25 ILE QG 1 42 ALA MB . . 3.800 2.760 1.959 3.676 . 0 0 "[ . 1 . 2]" 1
315 1 25 ILE MG 1 26 GLY H . . 4.100 3.915 3.871 4.015 . 0 0 "[ . 1 . 2]" 1
316 1 25 ILE MG 1 26 GLY HA2 . . 4.300 4.053 3.958 4.129 . 0 0 "[ . 1 . 2]" 1
317 1 25 ILE MG 1 44 ASP H . . 4.000 2.785 2.561 3.019 . 0 0 "[ . 1 . 2]" 1
318 1 25 ILE MG 1 44 ASP HA . . 3.400 2.233 1.943 2.485 . 0 0 "[ . 1 . 2]" 1
319 1 25 ILE MG 1 45 GLN H . . 4.500 4.394 4.144 4.540 0.040 8 0 "[ . 1 . 2]" 1
320 1 26 GLY H 1 26 GLY HA3 . . 2.700 2.520 2.514 2.522 . 0 0 "[ . 1 . 2]" 1
321 1 26 GLY H 1 27 THR H . . 2.700 1.891 1.887 1.895 . 0 0 "[ . 1 . 2]" 1
322 1 26 GLY H 1 27 THR MG . . 4.600 3.761 3.709 3.793 . 0 0 "[ . 1 . 2]" 1
323 1 26 GLY H 1 42 ALA MB . . 4.000 3.599 3.445 3.754 . 0 0 "[ . 1 . 2]" 1
324 1 26 GLY HA2 1 27 THR H . . 5.000 3.510 3.505 3.512 . 0 0 "[ . 1 . 2]" 1
325 1 26 GLY HA3 1 27 THR H . . 5.000 2.909 2.902 2.923 . 0 0 "[ . 1 . 2]" 1
326 1 27 THR H 1 27 THR MG . . 3.700 2.367 2.316 2.418 . 0 0 "[ . 1 . 2]" 1
327 1 27 THR H 1 28 THR H . . 5.000 4.400 4.394 4.411 . 0 0 "[ . 1 . 2]" 1
328 1 27 THR HA 1 27 THR MG . . 3.500 3.204 3.203 3.206 . 0 0 "[ . 1 . 2]" 1
329 1 27 THR HA 1 28 THR H . . 2.700 2.510 2.465 2.518 . 0 0 "[ . 1 . 2]" 1
330 1 27 THR HB 1 28 THR H . . 3.700 3.695 3.690 3.718 0.018 14 0 "[ . 1 . 2]" 1
331 1 27 THR MG 1 28 THR H . . 3.600 3.044 3.015 3.209 . 0 0 "[ . 1 . 2]" 1
332 1 28 THR H 1 28 THR MG . . 3.500 2.835 2.689 3.076 . 0 0 "[ . 1 . 2]" 1
333 1 28 THR HA 1 28 THR MG . . 3.500 2.209 2.047 2.344 . 0 0 "[ . 1 . 2]" 1
334 1 28 THR HA 1 29 ALA H . . 2.700 2.147 2.146 2.149 . 0 0 "[ . 1 . 2]" 1
335 1 28 THR HA 1 41 GLU HA . . 4.000 3.473 3.148 3.742 . 0 0 "[ . 1 . 2]" 1
336 1 28 THR HA 1 42 ALA H . . 4.000 3.584 3.328 3.775 . 0 0 "[ . 1 . 2]" 1
337 1 28 THR HB 1 29 ALA H . . 3.800 3.338 3.322 3.385 . 0 0 "[ . 1 . 2]" 1
338 1 28 THR MG 1 29 ALA H . . 4.000 3.859 3.683 3.949 . 0 0 "[ . 1 . 2]" 1
339 1 28 THR MG 1 41 GLU HA . . 3.600 2.489 2.274 2.789 . 0 0 "[ . 1 . 2]" 1
340 1 28 THR MG 1 41 GLU HB2 . . 4.400 2.946 2.491 3.397 . 0 0 "[ . 1 . 2]" 1
341 1 28 THR MG 1 41 GLU QG . . 4.000 2.478 2.126 2.894 . 0 0 "[ . 1 . 2]" 1
342 1 28 THR MG 1 42 ALA H . . 3.800 2.966 2.639 3.347 . 0 0 "[ . 1 . 2]" 1
343 1 29 ALA H 1 40 VAL H . . 4.700 4.591 4.220 4.681 . 0 0 "[ . 1 . 2]" 1
344 1 29 ALA H 1 40 VAL MG2 . . 3.900 3.808 3.602 3.861 . 0 0 "[ . 1 . 2]" 1
345 1 29 ALA H 1 41 GLU HA . . 4.600 4.397 4.199 4.561 . 0 0 "[ . 1 . 2]" 1
346 1 29 ALA H 1 42 ALA H . . 5.000 4.856 4.502 5.001 0.001 17 0 "[ . 1 . 2]" 1
347 1 29 ALA HA 1 30 THR H . . 2.700 2.522 2.521 2.522 . 0 0 "[ . 1 . 2]" 1
348 1 29 ALA MB 1 30 THR H . . 3.300 2.140 2.130 2.187 . 0 0 "[ . 1 . 2]" 1
349 1 30 THR H 1 30 THR MG . . 4.000 3.849 3.610 3.921 . 0 0 "[ . 1 . 2]" 1
350 1 30 THR HA 1 30 THR MG . . 3.700 2.178 1.966 2.353 . 0 0 "[ . 1 . 2]" 1
351 1 30 THR HA 1 31 ILE H . . 2.700 2.236 2.150 2.250 . 0 0 "[ . 1 . 2]" 1
352 1 30 THR HA 1 38 PHE H . . 5.000 4.590 4.044 4.928 . 0 0 "[ . 1 . 2]" 1
353 1 30 THR HA 1 39 GLU HA . . 5.000 2.151 1.999 2.457 . 0 0 "[ . 1 . 2]" 1
354 1 30 THR HA 1 40 VAL H . . 4.000 3.169 3.000 3.407 . 0 0 "[ . 1 . 2]" 1
355 1 30 THR MG 1 31 ILE H . . 3.700 2.338 1.982 2.821 . 0 0 "[ . 1 . 2]" 1
356 1 30 THR MG 1 37 GLU QB . . 3.300 2.258 1.906 3.133 . 0 0 "[ . 1 . 2]" 1
357 1 30 THR MG 1 37 GLU QG . . 4.200 3.347 2.655 4.146 . 0 0 "[ . 1 . 2]" 1
358 1 30 THR MG 1 38 PHE H . . 4.100 2.712 2.228 3.368 . 0 0 "[ . 1 . 2]" 1
359 1 30 THR MG 1 39 GLU H . . 4.300 3.001 2.801 3.330 . 0 0 "[ . 1 . 2]" 1
360 1 30 THR MG 1 39 GLU HA . . 4.500 2.202 1.917 2.511 . 0 0 "[ . 1 . 2]" 1
361 1 30 THR MG 1 39 GLU QG . . 4.100 2.736 1.946 3.652 . 0 0 "[ . 1 . 2]" 1
362 1 31 ILE H 1 31 ILE HB . . 3.700 2.624 2.543 2.682 . 0 0 "[ . 1 . 2]" 1
363 1 31 ILE H 1 31 ILE MD . . 4.500 3.699 2.810 3.942 . 0 0 "[ . 1 . 2]" 1
364 1 31 ILE H 1 31 ILE QG . . 4.000 2.619 2.266 2.867 . 0 0 "[ . 1 . 2]" 1
365 1 31 ILE H 1 31 ILE MG . . 4.100 3.843 3.803 3.864 . 0 0 "[ . 1 . 2]" 1
366 1 31 ILE H 1 32 THR H . . 5.100 4.472 4.348 4.563 . 0 0 "[ . 1 . 2]" 1
367 1 31 ILE H 1 37 GLU HA . . 5.000 4.556 4.252 5.000 . 0 0 "[ . 1 . 2]" 1
368 1 31 ILE H 1 38 PHE H . . 5.000 2.919 2.638 3.214 . 0 0 "[ . 1 . 2]" 1
369 1 31 ILE H 1 38 PHE HA . . 5.000 4.621 4.407 4.901 . 0 0 "[ . 1 . 2]" 1
370 1 31 ILE H 1 38 PHE HB2 . . 5.000 3.469 3.261 3.715 . 0 0 "[ . 1 . 2]" 1
371 1 31 ILE H 1 39 GLU H . . 5.000 4.688 4.509 4.968 . 0 0 "[ . 1 . 2]" 1
372 1 31 ILE H 1 39 GLU HA . . 4.000 3.374 3.122 3.868 . 0 0 "[ . 1 . 2]" 1
373 1 31 ILE H 1 40 VAL H . . 5.000 4.047 3.755 4.353 . 0 0 "[ . 1 . 2]" 1
374 1 31 ILE H 1 40 VAL MG2 . . 5.000 4.265 3.930 4.544 . 0 0 "[ . 1 . 2]" 1
375 1 31 ILE HA 1 31 ILE MG . . 3.700 2.303 2.232 2.388 . 0 0 "[ . 1 . 2]" 1
376 1 31 ILE HA 1 32 THR H . . 3.100 2.209 2.147 2.273 . 0 0 "[ . 1 . 2]" 1
377 1 31 ILE HB 1 32 THR H . . 4.300 3.961 3.721 4.189 . 0 0 "[ . 1 . 2]" 1
378 1 31 ILE HB 1 38 PHE HB3 . . 5.300 4.426 4.136 5.020 . 0 0 "[ . 1 . 2]" 1
379 1 31 ILE HB 1 40 VAL MG1 . . 5.100 4.197 3.772 4.626 . 0 0 "[ . 1 . 2]" 1
380 1 31 ILE MD 1 31 ILE MG . . 3.400 2.188 1.931 2.802 . 0 0 "[ . 1 . 2]" 1
381 1 31 ILE MD 1 38 PHE QD . . 4.500 4.372 4.169 4.460 . 0 0 "[ . 1 . 2]" 1
382 1 31 ILE MD 1 40 VAL MG1 . . 3.500 2.852 2.393 3.389 . 0 0 "[ . 1 . 2]" 1
383 1 31 ILE MD 1 40 VAL MG2 . . 3.100 2.272 1.911 2.764 . 0 0 "[ . 1 . 2]" 1
384 1 31 ILE QG 1 38 PHE QD . . 5.300 5.268 5.167 5.281 . 0 0 "[ . 1 . 2]" 1
385 1 31 ILE QG 1 40 VAL MG2 . . 4.200 3.135 2.538 4.198 . 0 0 "[ . 1 . 2]" 1
386 1 31 ILE MG 1 32 THR H . . 4.000 2.195 1.930 2.477 . 0 0 "[ . 1 . 2]" 1
387 1 32 THR H 1 32 THR HB . . 3.900 3.009 2.641 3.552 . 0 0 "[ . 1 . 2]" 1
388 1 32 THR H 1 32 THR MG . . 4.100 3.668 1.998 3.873 . 0 0 "[ . 1 . 2]" 1
389 1 32 THR H 1 33 ALA H . . 5.000 4.351 4.242 4.500 . 0 0 "[ . 1 . 2]" 1
390 1 32 THR H 1 38 PHE H . . 5.000 4.871 4.736 4.924 . 0 0 "[ . 1 . 2]" 1
391 1 32 THR HA 1 33 ALA H . . 2.700 2.146 2.141 2.177 . 0 0 "[ . 1 . 2]" 1
392 1 32 THR HA 1 37 GLU HA . . 5.000 2.561 2.144 2.746 . 0 0 "[ . 1 . 2]" 1
393 1 32 THR HA 1 38 PHE H . . 4.000 3.576 3.400 3.717 . 0 0 "[ . 1 . 2]" 1
394 1 32 THR HB 1 33 ALA H . . 4.600 3.952 3.374 4.262 . 0 0 "[ . 1 . 2]" 1
395 1 32 THR MG 1 33 ALA H . . 3.900 3.030 2.551 3.832 . 0 0 "[ . 1 . 2]" 1
396 1 32 THR MG 1 36 HIS H . . 4.700 3.664 3.242 4.729 0.029 7 0 "[ . 1 . 2]" 1
397 1 33 ALA H 1 33 ALA MB . . 3.600 2.676 2.545 2.738 . 0 0 "[ . 1 . 2]" 1
398 1 33 ALA H 1 34 ARG H . . 4.400 4.263 4.173 4.359 . 0 0 "[ . 1 . 2]" 1
399 1 33 ALA H 1 36 HIS H . . 4.000 2.835 2.331 3.080 . 0 0 "[ . 1 . 2]" 1
400 1 33 ALA H 1 36 HIS HA . . 5.100 4.748 4.432 4.950 . 0 0 "[ . 1 . 2]" 1
401 1 33 ALA H 1 37 GLU HA . . 5.000 3.605 3.373 3.766 . 0 0 "[ . 1 . 2]" 1
402 1 33 ALA H 1 38 PHE H . . 5.000 4.434 4.012 4.999 . 0 0 "[ . 1 . 2]" 1
403 1 33 ALA H 1 38 PHE QD . . 4.500 3.969 3.272 4.419 . 0 0 "[ . 1 . 2]" 1
404 1 33 ALA H 1 38 PHE QE . . 4.400 3.652 2.923 4.135 . 0 0 "[ . 1 . 2]" 1
405 1 33 ALA HA 1 34 ARG H . . 2.700 2.196 2.159 2.270 . 0 0 "[ . 1 . 2]" 1
406 1 33 ALA HA 1 35 GLY H . . 4.000 3.726 3.503 3.971 . 0 0 "[ . 1 . 2]" 1
407 1 33 ALA MB 1 34 ARG H . . 4.300 2.965 2.790 3.121 . 0 0 "[ . 1 . 2]" 1
408 1 33 ALA MB 1 34 ARG QG . . 3.500 3.050 2.669 3.358 . 0 0 "[ . 1 . 2]" 1
409 1 33 ALA MB 1 38 PHE QD . . 3.800 2.879 2.257 3.423 . 0 0 "[ . 1 . 2]" 1
410 1 33 ALA MB 1 38 PHE QE . . 3.500 2.141 1.909 2.560 . 0 0 "[ . 1 . 2]" 1
411 1 33 ALA MB 1 60 TRP HZ3 . . 3.800 3.721 3.378 3.840 0.040 13 0 "[ . 1 . 2]" 1
412 1 34 ARG H 1 34 ARG QG . . 4.100 2.811 2.591 2.951 . 0 0 "[ . 1 . 2]" 1
413 1 34 ARG H 1 35 GLY H . . 4.600 2.810 2.708 2.875 . 0 0 "[ . 1 . 2]" 1
414 1 34 ARG HA 1 35 GLY H . . 4.000 2.780 2.672 2.960 . 0 0 "[ . 1 . 2]" 1
415 1 34 ARG HA 1 35 GLY QA . . 4.500 4.029 4.005 4.061 . 0 0 "[ . 1 . 2]" 1
416 1 34 ARG QB 1 34 ARG QD . . 3.500 2.071 1.951 2.263 . 0 0 "[ . 1 . 2]" 1
417 1 34 ARG QB 1 35 GLY H . . 4.500 3.862 3.760 3.899 . 0 0 "[ . 1 . 2]" 1
418 1 34 ARG QB 1 60 TRP HH2 . . 5.300 2.704 2.009 3.157 . 0 0 "[ . 1 . 2]" 1
419 1 34 ARG QD 1 60 TRP HE3 . . 4.300 3.953 3.659 4.198 . 0 0 "[ . 1 . 2]" 1
420 1 34 ARG QD 1 60 TRP HH2 . . 4.500 2.634 2.285 2.973 . 0 0 "[ . 1 . 2]" 1
421 1 34 ARG QD 1 60 TRP HZ2 . . 4.000 3.470 3.067 3.904 . 0 0 "[ . 1 . 2]" 1
422 1 34 ARG QD 1 60 TRP HZ3 . . 4.500 2.823 2.425 3.323 . 0 0 "[ . 1 . 2]" 1
423 1 34 ARG QG 1 60 TRP HH2 . . 4.600 3.064 2.157 3.839 . 0 0 "[ . 1 . 2]" 1
424 1 35 GLY H 1 36 HIS H . . 4.000 2.694 2.479 2.780 . 0 0 "[ . 1 . 2]" 1
425 1 35 GLY HA2 1 36 HIS H . . 5.000 3.016 2.864 3.073 . 0 0 "[ . 1 . 2]" 1
426 1 36 HIS H 1 37 GLU H . . 4.500 4.410 4.190 4.483 . 0 0 "[ . 1 . 2]" 1
427 1 36 HIS HA 1 36 HIS HD2 . . 4.500 3.572 2.351 4.537 0.037 6 0 "[ . 1 . 2]" 1
428 1 36 HIS HA 1 37 GLU H . . 2.700 2.266 2.159 2.427 . 0 0 "[ . 1 . 2]" 1
429 1 36 HIS HA 1 37 GLU HA . . 4.500 4.376 4.367 4.394 . 0 0 "[ . 1 . 2]" 1
430 1 36 HIS QB 1 37 GLU H . . 4.600 2.976 2.560 3.294 . 0 0 "[ . 1 . 2]" 1
431 1 36 HIS QB 1 38 PHE QE . . 4.100 2.700 2.216 3.005 . 0 0 "[ . 1 . 2]" 1
432 1 36 HIS QB 1 38 PHE HZ . . 3.600 2.468 2.086 2.866 . 0 0 "[ . 1 . 2]" 1
433 1 37 GLU H 1 37 GLU HB2 . . 3.800 3.364 2.307 3.719 . 0 0 "[ . 1 . 2]" 1
434 1 37 GLU H 1 37 GLU HB3 . . 3.800 3.104 2.751 3.664 . 0 0 "[ . 1 . 2]" 1
435 1 37 GLU H 1 37 GLU QG . . 4.600 2.293 1.925 3.744 . 0 0 "[ . 1 . 2]" 1
436 1 37 GLU HA 1 38 PHE H . . 2.700 2.157 2.138 2.217 . 0 0 "[ . 1 . 2]" 1
437 1 37 GLU QB 1 38 PHE H . . 3.700 3.193 2.915 3.427 . 0 0 "[ . 1 . 2]" 1
438 1 37 GLU QB 1 39 GLU H . . 5.300 4.848 4.531 5.087 . 0 0 "[ . 1 . 2]" 1
439 1 38 PHE H 1 38 PHE HB3 . . 4.200 3.794 3.712 3.861 . 0 0 "[ . 1 . 2]" 1
440 1 38 PHE H 1 38 PHE QD . . 3.600 3.360 2.741 3.565 . 0 0 "[ . 1 . 2]" 1
441 1 38 PHE H 1 39 GLU H . . 5.000 4.181 4.107 4.339 . 0 0 "[ . 1 . 2]" 1
442 1 38 PHE H 1 39 GLU HA . . 5.000 4.781 4.670 4.980 . 0 0 "[ . 1 . 2]" 1
443 1 38 PHE HA 1 38 PHE QD . . 3.700 2.377 2.187 2.865 . 0 0 "[ . 1 . 2]" 1
444 1 38 PHE HA 1 39 GLU H . . 3.300 2.145 2.140 2.148 . 0 0 "[ . 1 . 2]" 1
445 1 38 PHE HB2 1 39 GLU H . . 4.400 4.293 4.203 4.339 . 0 0 "[ . 1 . 2]" 1
446 1 38 PHE HB2 1 40 VAL MG1 . . 4.600 3.560 3.251 3.806 . 0 0 "[ . 1 . 2]" 1
447 1 38 PHE HB2 1 51 LEU MD2 . . 4.000 3.445 3.288 3.838 . 0 0 "[ . 1 . 2]" 1
448 1 38 PHE HB3 1 40 VAL MG1 . . 4.600 3.231 3.060 3.585 . 0 0 "[ . 1 . 2]" 1
449 1 38 PHE HB3 1 51 LEU HB3 . . 5.500 4.895 4.629 5.459 . 0 0 "[ . 1 . 2]" 1
450 1 38 PHE HB3 1 51 LEU MD1 . . 4.300 3.849 3.034 4.270 . 0 0 "[ . 1 . 2]" 1
451 1 38 PHE HB3 1 51 LEU MD2 . . 4.300 2.036 1.903 2.350 . 0 0 "[ . 1 . 2]" 1
452 1 38 PHE QD 1 40 VAL MG1 . . 4.800 4.657 4.470 4.819 0.019 4 0 "[ . 1 . 2]" 1
453 1 38 PHE QD 1 51 LEU MD2 . . 3.500 2.399 1.965 3.327 . 0 0 "[ . 1 . 2]" 1
454 1 38 PHE QD 1 61 LEU MD1 . . 4.400 3.927 3.386 4.352 . 0 0 "[ . 1 . 2]" 1
455 1 38 PHE QD 1 61 LEU MD2 . . 4.400 4.096 3.825 4.364 . 0 0 "[ . 1 . 2]" 1
456 1 38 PHE QE 1 51 LEU MD1 . . 5.100 3.923 3.320 5.039 . 0 0 "[ . 1 . 2]" 1
457 1 38 PHE QE 1 60 TRP HZ3 . . 4.600 4.148 3.695 4.529 . 0 0 "[ . 1 . 2]" 1
458 1 38 PHE QE 1 61 LEU MD1 . . 4.400 4.162 3.670 4.430 0.030 20 0 "[ . 1 . 2]" 1
459 1 38 PHE QE 1 61 LEU MD2 . . 4.700 3.275 2.959 3.518 . 0 0 "[ . 1 . 2]" 1
460 1 38 PHE HZ 1 60 TRP HH2 . . 4.000 2.835 2.488 3.174 . 0 0 "[ . 1 . 2]" 1
461 1 39 GLU H 1 39 GLU QB . . 3.500 2.363 2.190 2.809 . 0 0 "[ . 1 . 2]" 1
462 1 39 GLU H 1 39 GLU QG . . 4.300 3.726 1.966 4.062 . 0 0 "[ . 1 . 2]" 1
463 1 39 GLU H 1 40 VAL H . . 5.000 4.243 4.121 4.521 . 0 0 "[ . 1 . 2]" 1
464 1 39 GLU H 1 40 VAL MG1 . . 4.600 4.275 4.136 4.439 . 0 0 "[ . 1 . 2]" 1
465 1 39 GLU H 1 51 LEU MD2 . . 4.000 2.521 2.184 2.726 . 0 0 "[ . 1 . 2]" 1
466 1 39 GLU H 1 51 LEU HG . . 5.500 5.302 4.919 5.501 0.001 13 0 "[ . 1 . 2]" 1
467 1 39 GLU H 1 52 THR H . . 5.000 4.138 3.850 4.949 . 0 0 "[ . 1 . 2]" 1
468 1 39 GLU HA 1 40 VAL H . . 2.700 2.173 2.138 2.207 . 0 0 "[ . 1 . 2]" 1
469 1 39 GLU HA 1 40 VAL MG2 . . 5.200 3.827 3.721 3.966 . 0 0 "[ . 1 . 2]" 1
470 1 39 GLU QB 1 40 VAL H . . 4.200 3.833 3.143 3.954 . 0 0 "[ . 1 . 2]" 1
471 1 39 GLU QB 1 52 THR H . . 4.300 2.833 2.471 4.173 . 0 0 "[ . 1 . 2]" 1
472 1 39 GLU QB 1 52 THR MG . . 3.900 2.386 1.726 3.700 . 0 0 "[ . 1 . 2]" 1
473 1 39 GLU QG 1 40 VAL H . . 4.300 3.546 3.119 4.320 0.020 4 0 "[ . 1 . 2]" 1
474 1 39 GLU QG 1 52 THR H . . 5.000 3.897 1.935 4.841 . 0 0 "[ . 1 . 2]" 1
475 1 39 GLU QG 1 52 THR MG . . 3.600 2.389 1.876 3.308 . 0 0 "[ . 1 . 2]" 1
476 1 40 VAL H 1 40 VAL MG1 . . 4.100 2.668 2.400 2.951 . 0 0 "[ . 1 . 2]" 1
477 1 40 VAL H 1 40 VAL MG2 . . 3.500 2.044 1.929 2.150 . 0 0 "[ . 1 . 2]" 1
478 1 40 VAL HA 1 40 VAL MG1 . . 3.700 2.316 2.211 2.439 . 0 0 "[ . 1 . 2]" 1
479 1 40 VAL HA 1 41 GLU H . . 2.700 2.457 2.310 2.656 . 0 0 "[ . 1 . 2]" 1
480 1 40 VAL HA 1 51 LEU HA . . 4.600 2.980 2.784 3.270 . 0 0 "[ . 1 . 2]" 1
481 1 40 VAL HA 1 52 THR H . . 4.000 3.946 3.758 4.001 0.001 11 0 "[ . 1 . 2]" 1
482 1 40 VAL HB 1 41 GLU H . . 3.800 2.289 1.963 2.624 . 0 0 "[ . 1 . 2]" 1
483 1 40 VAL MG1 1 41 GLU H . . 4.200 3.652 3.533 3.800 . 0 0 "[ . 1 . 2]" 1
484 1 40 VAL MG1 1 51 LEU HA . . 4.500 3.379 3.140 3.638 . 0 0 "[ . 1 . 2]" 1
485 1 40 VAL MG1 1 51 LEU HB3 . . 5.500 4.783 4.549 5.315 . 0 0 "[ . 1 . 2]" 1
486 1 40 VAL MG1 1 51 LEU HG . . 4.400 4.303 3.883 4.441 0.041 12 0 "[ . 1 . 2]" 1
487 1 40 VAL MG2 1 41 GLU H . . 4.300 3.286 2.776 3.549 . 0 0 "[ . 1 . 2]" 1
488 1 41 GLU H 1 41 GLU HB3 . . 4.000 2.617 2.476 2.744 . 0 0 "[ . 1 . 2]" 1
489 1 41 GLU H 1 42 ALA H . . 4.400 4.316 4.220 4.380 . 0 0 "[ . 1 . 2]" 1
490 1 41 GLU H 1 50 ILE MG . . 4.100 3.210 2.994 3.515 . 0 0 "[ . 1 . 2]" 1
491 1 41 GLU H 1 51 LEU HA . . 5.000 4.992 4.904 5.002 0.002 10 0 "[ . 1 . 2]" 1
492 1 41 GLU HA 1 42 ALA H . . 2.700 2.153 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
493 1 41 GLU HA 1 42 ALA MB . . 4.500 3.935 3.865 3.987 . 0 0 "[ . 1 . 2]" 1
494 1 41 GLU HB2 1 42 ALA H . . 4.500 4.174 4.108 4.309 . 0 0 "[ . 1 . 2]" 1
495 1 41 GLU HB3 1 42 ALA H . . 4.800 4.241 4.087 4.384 . 0 0 "[ . 1 . 2]" 1
496 1 41 GLU HB3 1 50 ILE MG . . 3.700 3.601 3.434 3.681 . 0 0 "[ . 1 . 2]" 1
497 1 41 GLU QG 1 42 ALA H . . 4.200 2.641 2.388 2.938 . 0 0 "[ . 1 . 2]" 1
498 1 41 GLU QG 1 43 LYS QG . . 3.600 2.793 2.393 3.476 . 0 0 "[ . 1 . 2]" 1
499 1 42 ALA H 1 42 ALA MB . . 3.500 2.314 2.134 2.412 . 0 0 "[ . 1 . 2]" 1
500 1 42 ALA HA 1 43 LYS H . . 2.700 2.142 2.140 2.148 . 0 0 "[ . 1 . 2]" 1
501 1 42 ALA HA 1 44 ASP H . . 4.500 3.595 3.552 3.649 . 0 0 "[ . 1 . 2]" 1
502 1 42 ALA MB 1 43 LYS H . . 4.000 3.236 3.120 3.334 . 0 0 "[ . 1 . 2]" 1
503 1 43 LYS H 1 43 LYS QB . . 3.500 2.378 2.343 2.501 . 0 0 "[ . 1 . 2]" 1
504 1 43 LYS H 1 43 LYS QG . . 4.400 3.513 2.930 3.930 . 0 0 "[ . 1 . 2]" 1
505 1 43 LYS H 1 44 ASP H . . 3.800 1.901 1.899 1.906 . 0 0 "[ . 1 . 2]" 1
506 1 43 LYS HA 1 44 ASP H . . 5.000 3.467 3.457 3.484 . 0 0 "[ . 1 . 2]" 1
507 1 43 LYS QB 1 44 ASP H . . 3.600 2.942 2.819 2.988 . 0 0 "[ . 1 . 2]" 1
508 1 44 ASP H 1 44 ASP HA . . 2.700 2.790 2.790 2.791 0.091 8 0 "[ . 1 . 2]" 1
509 1 44 ASP H 1 47 CYS HA . . 5.000 4.734 4.494 5.002 0.002 8 0 "[ . 1 . 2]" 1
510 1 44 ASP HA 1 45 GLN H . . 2.700 2.674 2.637 2.707 0.007 10 0 "[ . 1 . 2]" 1
511 1 44 ASP QB 1 45 GLN H . . 3.300 2.089 1.938 2.267 . 0 0 "[ . 1 . 2]" 1
512 1 44 ASP QB 1 46 ASN H . . 4.100 2.585 2.352 2.877 . 0 0 "[ . 1 . 2]" 1
513 1 45 GLN H 1 45 GLN HB2 . . 4.100 3.279 2.230 3.592 . 0 0 "[ . 1 . 2]" 1
514 1 45 GLN H 1 45 GLN HB3 . . 4.100 2.599 2.351 2.868 . 0 0 "[ . 1 . 2]" 1
515 1 45 GLN H 1 45 GLN QG . . 4.400 2.650 1.967 3.980 . 0 0 "[ . 1 . 2]" 1
516 1 45 GLN H 1 46 ASN H . . 4.400 2.764 2.761 2.772 . 0 0 "[ . 1 . 2]" 1
517 1 45 GLN HA 1 46 ASN H . . 5.000 3.489 3.486 3.501 . 0 0 "[ . 1 . 2]" 1
518 1 45 GLN HA 1 47 CYS H . . 4.800 4.493 4.440 4.576 . 0 0 "[ . 1 . 2]" 1
519 1 46 ASN H 1 47 CYS H . . 4.000 4.000 3.988 4.012 0.012 8 0 "[ . 1 . 2]" 1
520 1 46 ASN HA 1 47 CYS H . . 5.000 2.310 2.293 2.320 . 0 0 "[ . 1 . 2]" 1
521 1 46 ASN QB 1 47 CYS H . . 4.300 3.941 3.805 4.050 . 0 0 "[ . 1 . 2]" 1
522 1 47 CYS H 1 48 LYS H . . 4.500 4.484 4.481 4.500 0.000 20 0 "[ . 1 . 2]" 1
523 1 47 CYS HA 1 48 LYS H . . 4.000 2.184 2.180 2.201 . 0 0 "[ . 1 . 2]" 1
524 1 47 CYS QB 1 48 LYS H . . 4.400 3.040 2.961 3.079 . 0 0 "[ . 1 . 2]" 1
525 1 47 CYS QB 1 48 LYS HA . . 4.400 4.101 4.034 4.218 . 0 0 "[ . 1 . 2]" 1
526 1 47 CYS HB2 1 63 ALA MB . . 4.000 3.729 3.457 3.950 . 0 0 "[ . 1 . 2]" 1
527 1 47 CYS HB3 1 63 ALA MB . . 4.000 3.350 3.154 3.876 . 0 0 "[ . 1 . 2]" 1
528 1 48 LYS H 1 48 LYS QB . . 3.400 2.969 2.771 3.149 . 0 0 "[ . 1 . 2]" 1
529 1 48 LYS H 1 48 LYS QG . . 3.800 2.225 1.997 2.397 . 0 0 "[ . 1 . 2]" 1
530 1 48 LYS H 1 50 ILE MG . . 5.400 3.849 3.598 4.388 . 0 0 "[ . 1 . 2]" 1
531 1 48 LYS HA 1 49 VAL H . . 2.700 2.273 2.175 2.708 0.008 17 0 "[ . 1 . 2]" 1
532 1 48 LYS HA 1 49 VAL MG1 . . 4.800 3.987 3.820 4.067 . 0 0 "[ . 1 . 2]" 1
533 1 48 LYS HA 1 49 VAL MG2 . . 4.400 3.789 3.725 3.896 . 0 0 "[ . 1 . 2]" 1
534 1 48 LYS HA 1 63 ALA MB . . 5.100 3.384 3.121 3.605 . 0 0 "[ . 1 . 2]" 1
535 1 48 LYS QB 1 49 VAL H . . 3.800 2.834 1.949 3.077 . 0 0 "[ . 1 . 2]" 1
536 1 48 LYS QG 1 49 VAL H . . 4.100 3.726 2.598 4.070 . 0 0 "[ . 1 . 2]" 1
537 1 48 LYS QG 1 49 VAL MG2 . . 4.500 4.023 3.747 4.312 . 0 0 "[ . 1 . 2]" 1
538 1 48 LYS QG 1 50 ILE MD . . 4.200 3.414 3.197 4.009 . 0 0 "[ . 1 . 2]" 1
539 1 48 LYS QG 1 50 ILE MG . . 3.500 2.568 2.376 2.855 . 0 0 "[ . 1 . 2]" 1
540 1 49 VAL H 1 49 VAL HB . . 3.800 3.616 3.602 3.679 . 0 0 "[ . 1 . 2]" 1
541 1 49 VAL H 1 49 VAL MG1 . . 4.000 2.507 2.343 3.074 . 0 0 "[ . 1 . 2]" 1
542 1 49 VAL H 1 49 VAL MG2 . . 3.400 2.096 1.912 2.138 . 0 0 "[ . 1 . 2]" 1
543 1 49 VAL HA 1 50 ILE H . . 4.000 2.178 2.166 2.205 . 0 0 "[ . 1 . 2]" 1
544 1 49 VAL HB 1 57 ALA H . . 4.600 3.670 3.410 4.035 . 0 0 "[ . 1 . 2]" 1
545 1 49 VAL HB 1 57 ALA MB . . 3.900 1.920 1.885 2.072 . 0 0 "[ . 1 . 2]" 1
546 1 49 VAL MG1 1 50 ILE H . . 4.200 3.995 3.971 4.032 . 0 0 "[ . 1 . 2]" 1
547 1 49 VAL MG1 1 61 LEU HB3 . . 4.000 2.444 2.292 2.690 . 0 0 "[ . 1 . 2]" 1
548 1 49 VAL MG1 1 61 LEU MD1 . . 2.800 2.614 2.532 2.703 . 0 0 "[ . 1 . 2]" 1
549 1 49 VAL MG1 1 61 LEU HG . . 4.000 3.949 3.839 4.051 0.051 10 0 "[ . 1 . 2]" 1
550 1 49 VAL MG1 1 63 ALA H . . 4.000 2.899 2.666 3.087 . 0 0 "[ . 1 . 2]" 1
551 1 49 VAL MG2 1 50 ILE H . . 4.500 4.225 4.221 4.229 . 0 0 "[ . 1 . 2]" 1
552 1 49 VAL MG2 1 57 ALA H . . 4.800 4.058 3.880 4.282 . 0 0 "[ . 1 . 2]" 1
553 1 49 VAL MG2 1 57 ALA MB . . 3.500 2.784 2.649 2.865 . 0 0 "[ . 1 . 2]" 1
554 1 49 VAL MG2 1 61 LEU HB2 . . 4.800 4.741 4.552 4.801 0.001 4 0 "[ . 1 . 2]" 1
555 1 49 VAL MG2 1 61 LEU HB3 . . 4.400 3.687 3.498 3.768 . 0 0 "[ . 1 . 2]" 1
556 1 49 VAL MG2 1 61 LEU MD1 . . 4.700 4.590 4.460 4.680 . 0 0 "[ . 1 . 2]" 1
557 1 49 VAL MG2 1 61 LEU HG . . 5.500 5.345 5.186 5.480 . 0 0 "[ . 1 . 2]" 1
558 1 50 ILE H 1 50 ILE HG13 . . 5.300 4.679 4.630 4.739 . 0 0 "[ . 1 . 2]" 1
559 1 50 ILE H 1 50 ILE MG . . 4.000 2.349 2.268 2.388 . 0 0 "[ . 1 . 2]" 1
560 1 50 ILE H 1 51 LEU H . . 5.000 4.333 4.301 4.339 . 0 0 "[ . 1 . 2]" 1
561 1 50 ILE HA 1 50 ILE MD . . 3.700 3.617 3.507 3.720 0.020 17 0 "[ . 1 . 2]" 1
562 1 50 ILE HA 1 50 ILE HG13 . . 4.200 2.296 2.252 2.357 . 0 0 "[ . 1 . 2]" 1
563 1 50 ILE HA 1 50 ILE MG . . 3.600 3.192 3.183 3.199 . 0 0 "[ . 1 . 2]" 1
564 1 50 ILE HA 1 51 LEU H . . 3.200 2.274 2.237 2.281 . 0 0 "[ . 1 . 2]" 1
565 1 50 ILE HA 1 51 LEU HG . . 4.000 3.395 3.301 3.648 . 0 0 "[ . 1 . 2]" 1
566 1 50 ILE HA 1 56 GLN HA . . 2.800 2.743 2.601 2.771 . 0 0 "[ . 1 . 2]" 1
567 1 50 ILE HA 1 56 GLN QB . . 4.300 3.684 3.388 4.226 . 0 0 "[ . 1 . 2]" 1
568 1 50 ILE HA 1 57 ALA H . . 3.300 2.710 2.341 3.021 . 0 0 "[ . 1 . 2]" 1
569 1 50 ILE HB 1 50 ILE MD . . 3.600 2.291 2.159 2.429 . 0 0 "[ . 1 . 2]" 1
570 1 50 ILE MD 1 50 ILE MG . . 2.400 2.284 1.994 2.400 0.000 2 0 "[ . 1 . 2]" 1
571 1 50 ILE HG12 1 50 ILE MG . . 2.600 2.146 2.072 2.271 . 0 0 "[ . 1 . 2]" 1
572 1 50 ILE HG12 1 51 LEU H . . 4.400 2.536 2.314 2.846 . 0 0 "[ . 1 . 2]" 1
573 1 50 ILE HG13 1 57 ALA H . . 5.400 4.386 3.846 4.804 . 0 0 "[ . 1 . 2]" 1
574 1 50 ILE MG 1 51 LEU H . . 3.800 3.584 3.538 3.778 . 0 0 "[ . 1 . 2]" 1
575 1 50 ILE MG 1 51 LEU HA . . 4.800 3.874 3.783 4.009 . 0 0 "[ . 1 . 2]" 1
576 1 51 LEU H 1 51 LEU HB2 . . 3.800 2.716 2.532 2.793 . 0 0 "[ . 1 . 2]" 1
577 1 51 LEU H 1 51 LEU HB3 . . 4.200 3.761 3.698 3.780 . 0 0 "[ . 1 . 2]" 1
578 1 51 LEU H 1 51 LEU MD1 . . 4.100 3.665 3.197 4.003 . 0 0 "[ . 1 . 2]" 1
579 1 51 LEU H 1 51 LEU HG . . 3.900 2.583 2.412 2.814 . 0 0 "[ . 1 . 2]" 1
580 1 51 LEU H 1 52 THR H . . 5.000 4.503 4.493 4.531 . 0 0 "[ . 1 . 2]" 1
581 1 51 LEU HA 1 51 LEU MD2 . . 3.600 2.398 1.999 2.810 . 0 0 "[ . 1 . 2]" 1
582 1 51 LEU HA 1 52 THR H . . 2.700 2.294 2.259 2.340 . 0 0 "[ . 1 . 2]" 1
583 1 51 LEU HB2 1 51 LEU MD1 . . 3.600 2.187 1.957 2.327 . 0 0 "[ . 1 . 2]" 1
584 1 51 LEU HB2 1 52 THR H . . 4.000 3.647 3.542 3.875 . 0 0 "[ . 1 . 2]" 1
585 1 51 LEU HB2 1 53 ASN H . . 4.500 2.745 2.597 3.057 . 0 0 "[ . 1 . 2]" 1
586 1 51 LEU HB2 1 54 GLY H . . 4.700 4.481 4.340 4.658 . 0 0 "[ . 1 . 2]" 1
587 1 51 LEU HB3 1 52 THR H . . 4.000 2.731 2.586 2.800 . 0 0 "[ . 1 . 2]" 1
588 1 51 LEU HB3 1 53 ASN H . . 4.300 2.650 2.420 2.761 . 0 0 "[ . 1 . 2]" 1
589 1 51 LEU HB3 1 55 LYS H . . 4.600 4.286 3.615 4.496 . 0 0 "[ . 1 . 2]" 1
590 1 51 LEU MD1 1 55 LYS H . . 4.400 3.836 3.509 4.062 . 0 0 "[ . 1 . 2]" 1
591 1 51 LEU MD1 1 55 LYS QB . . 3.600 2.270 1.800 2.959 . 0 0 "[ . 1 . 2]" 1
592 1 51 LEU MD1 1 56 GLN H . . 5.100 3.867 3.129 4.843 . 0 0 "[ . 1 . 2]" 1
593 1 51 LEU MD1 1 56 GLN HA . . 4.000 3.451 2.895 3.884 . 0 0 "[ . 1 . 2]" 1
594 1 51 LEU MD1 1 57 ALA HA . . 3.100 2.769 2.109 3.016 . 0 0 "[ . 1 . 2]" 1
595 1 51 LEU MD1 1 57 ALA MB . . 3.800 3.692 3.240 3.801 0.001 14 0 "[ . 1 . 2]" 1
596 1 51 LEU HG 1 52 THR H . . 5.500 4.990 4.739 5.103 . 0 0 "[ . 1 . 2]" 1
597 1 51 LEU HG 1 57 ALA H . . 3.500 3.132 2.806 3.530 0.030 15 0 "[ . 1 . 2]" 1
598 1 51 LEU HG 1 57 ALA HA . . 4.300 3.600 3.225 4.190 . 0 0 "[ . 1 . 2]" 1
599 1 51 LEU HG 1 57 ALA MB . . 3.900 3.589 3.374 3.824 . 0 0 "[ . 1 . 2]" 1
600 1 52 THR H 1 52 THR MG . . 3.500 2.215 1.942 2.815 . 0 0 "[ . 1 . 2]" 1
601 1 52 THR H 1 53 ASN H . . 4.200 2.539 2.499 2.550 . 0 0 "[ . 1 . 2]" 1
602 1 52 THR HA 1 52 THR MG . . 3.300 2.934 2.249 3.206 . 0 0 "[ . 1 . 2]" 1
603 1 52 THR HA 1 53 ASN H . . 5.000 3.198 3.191 3.321 . 0 0 "[ . 1 . 2]" 1
604 1 52 THR HA 1 54 GLY H . . 4.000 3.312 3.240 3.383 . 0 0 "[ . 1 . 2]" 1
605 1 53 ASN H 1 54 GLY H . . 4.000 2.838 2.760 2.947 . 0 0 "[ . 1 . 2]" 1
606 1 53 ASN HA 1 54 GLY H . . 5.000 2.924 2.868 2.987 . 0 0 "[ . 1 . 2]" 1
607 1 53 ASN QD 1 55 LYS QB . . 4.500 2.998 2.159 4.479 . 0 0 "[ . 1 . 2]" 1
608 1 53 ASN QD 1 55 LYS QD . . 3.900 3.162 2.113 3.830 . 0 0 "[ . 1 . 2]" 1
609 1 53 ASN QD 1 55 LYS QG . . 4.400 3.851 2.574 4.430 0.030 4 0 "[ . 1 . 2]" 1
610 1 54 GLY H 1 54 GLY HA2 . . 2.700 2.295 2.294 2.296 . 0 0 "[ . 1 . 2]" 1
611 1 54 GLY H 1 54 GLY HA3 . . 2.700 2.808 2.807 2.809 0.109 6 0 "[ . 1 . 2]" 1
612 1 54 GLY H 1 55 LYS H . . 4.000 2.682 2.678 2.689 . 0 0 "[ . 1 . 2]" 1
613 1 54 GLY HA2 1 55 LYS H . . 5.000 3.007 2.930 3.077 . 0 0 "[ . 1 . 2]" 1
614 1 54 GLY HA3 1 55 LYS H . . 5.000 3.467 3.431 3.502 . 0 0 "[ . 1 . 2]" 1
615 1 55 LYS H 1 55 LYS QB . . 3.800 2.646 2.406 3.179 . 0 0 "[ . 1 . 2]" 1
616 1 55 LYS H 1 55 LYS QD . . 4.500 4.165 3.401 4.451 . 0 0 "[ . 1 . 2]" 1
617 1 55 LYS H 1 55 LYS QG . . 4.400 3.864 2.146 4.307 . 0 0 "[ . 1 . 2]" 1
618 1 55 LYS HA 1 56 GLN H . . 2.700 2.314 2.145 2.352 . 0 0 "[ . 1 . 2]" 1
619 1 55 LYS QB 1 56 GLN H . . 4.000 3.002 2.513 3.927 . 0 0 "[ . 1 . 2]" 1
620 1 55 LYS QD 1 56 GLN H . . 4.900 4.288 3.035 4.852 . 0 0 "[ . 1 . 2]" 1
621 1 55 LYS QG 1 56 GLN H . . 4.100 3.120 2.177 4.102 0.002 15 0 "[ . 1 . 2]" 1
622 1 56 GLN H 1 56 GLN QB . . 3.600 2.698 2.112 2.992 . 0 0 "[ . 1 . 2]" 1
623 1 56 GLN H 1 56 GLN QG . . 4.200 2.307 1.913 3.458 . 0 0 "[ . 1 . 2]" 1
624 1 56 GLN HA 1 57 ALA H . . 2.700 2.257 2.179 2.306 . 0 0 "[ . 1 . 2]" 1
625 1 56 GLN QB 1 57 ALA H . . 4.300 2.788 2.649 3.027 . 0 0 "[ . 1 . 2]" 1
626 1 56 GLN QG 1 57 ALA H . . 4.300 3.771 3.172 4.131 . 0 0 "[ . 1 . 2]" 1
627 1 57 ALA H 1 57 ALA MB . . 3.200 2.044 2.026 2.052 . 0 0 "[ . 1 . 2]" 1
628 1 57 ALA HA 1 58 PRO HA . . 4.700 4.388 4.387 4.388 . 0 0 "[ . 1 . 2]" 1
629 1 57 ALA HA 1 58 PRO QG . . 4.500 4.069 4.068 4.069 . 0 0 "[ . 1 . 2]" 1
630 1 57 ALA MB 1 58 PRO QG . . 4.400 3.497 3.468 3.504 . 0 0 "[ . 1 . 2]" 1
631 1 57 ALA MB 1 61 LEU HB2 . . 3.600 2.509 2.374 2.540 . 0 0 "[ . 1 . 2]" 1
632 1 57 ALA MB 1 61 LEU HB3 . . 4.400 2.081 1.957 2.129 . 0 0 "[ . 1 . 2]" 1
633 1 57 ALA MB 1 61 LEU HG . . 3.400 2.069 2.019 2.230 . 0 0 "[ . 1 . 2]" 1
634 1 58 PRO HA 1 59 ASP H . . 3.500 2.638 2.635 2.645 . 0 0 "[ . 1 . 2]" 1
635 1 58 PRO HA 1 59 ASP HA . . 5.100 4.345 4.340 4.347 . 0 0 "[ . 1 . 2]" 1
636 1 58 PRO HA 1 60 TRP H . . 5.000 4.221 4.199 4.335 . 0 0 "[ . 1 . 2]" 1
637 1 58 PRO HB2 1 59 ASP HA . . 5.200 4.425 4.421 4.433 . 0 0 "[ . 1 . 2]" 1
638 1 58 PRO HB2 1 60 TRP HD1 . . 4.400 2.740 2.408 2.820 . 0 0 "[ . 1 . 2]" 1
639 1 58 PRO HB2 1 60 TRP HE1 . . 4.000 2.782 2.757 2.884 . 0 0 "[ . 1 . 2]" 1
640 1 58 PRO HB2 1 60 TRP HZ2 . . 5.400 4.555 4.452 5.052 . 0 0 "[ . 1 . 2]" 1
641 1 58 PRO HB3 1 60 TRP H . . 4.500 3.960 3.941 4.051 . 0 0 "[ . 1 . 2]" 1
642 1 58 PRO HB3 1 60 TRP HD1 . . 4.500 4.092 3.728 4.180 . 0 0 "[ . 1 . 2]" 1
643 1 58 PRO HB3 1 60 TRP HE1 . . 4.300 2.983 2.965 2.996 . 0 0 "[ . 1 . 2]" 1
644 1 58 PRO QG 1 60 TRP HE3 . . 4.500 4.082 4.006 4.458 . 0 0 "[ . 1 . 2]" 1
645 1 58 PRO QG 1 60 TRP HZ2 . . 3.800 2.956 2.909 2.999 . 0 0 "[ . 1 . 2]" 1
646 1 58 PRO QG 1 61 LEU HB2 . . 3.700 1.988 1.986 1.989 . 0 0 "[ . 1 . 2]" 1
647 1 58 PRO QG 1 61 LEU MD2 . . 3.800 1.880 1.851 1.930 . 0 0 "[ . 1 . 2]" 1
648 1 58 PRO QG 1 61 LEU HG . . 4.500 3.277 3.245 3.300 . 0 0 "[ . 1 . 2]" 1
649 1 59 ASP H 1 59 ASP QB . . 3.900 2.163 2.096 2.333 . 0 0 "[ . 1 . 2]" 1
650 1 59 ASP H 1 60 TRP H . . 4.600 2.370 2.364 2.384 . 0 0 "[ . 1 . 2]" 1
651 1 59 ASP HA 1 60 TRP H . . 5.000 3.388 3.374 3.448 . 0 0 "[ . 1 . 2]" 1
652 1 59 ASP HA 1 61 LEU H . . 5.000 3.567 3.496 3.585 . 0 0 "[ . 1 . 2]" 1
653 1 59 ASP QB 1 60 TRP H . . 4.500 3.158 2.953 3.202 . 0 0 "[ . 1 . 2]" 1
654 1 60 TRP H 1 60 TRP HB2 . . 4.000 3.655 3.650 3.657 . 0 0 "[ . 1 . 2]" 1
655 1 60 TRP H 1 60 TRP HD1 . . 3.600 2.492 2.300 2.533 . 0 0 "[ . 1 . 2]" 1
656 1 60 TRP H 1 60 TRP HE3 . . 5.200 4.750 4.698 5.000 . 0 0 "[ . 1 . 2]" 1
657 1 60 TRP H 1 61 LEU H . . 3.800 2.604 2.589 2.614 . 0 0 "[ . 1 . 2]" 1
658 1 60 TRP H 1 61 LEU HA . . 5.000 4.838 4.812 4.952 . 0 0 "[ . 1 . 2]" 1
659 1 60 TRP HA 1 60 TRP HD1 . . 4.400 4.281 4.259 4.371 . 0 0 "[ . 1 . 2]" 1
660 1 60 TRP HA 1 61 LEU H . . 5.000 3.020 2.996 3.100 . 0 0 "[ . 1 . 2]" 1
661 1 60 TRP HA 1 61 LEU HA . . 5.200 4.496 4.492 4.509 . 0 0 "[ . 1 . 2]" 1
662 1 60 TRP HB2 1 60 TRP HE3 . . 4.000 2.537 2.534 2.541 . 0 0 "[ . 1 . 2]" 1
663 1 60 TRP HB2 1 60 TRP HZ3 . . 5.000 4.928 4.925 4.930 . 0 0 "[ . 1 . 2]" 1
664 1 60 TRP HB2 1 61 LEU H . . 4.500 4.395 4.388 4.421 . 0 0 "[ . 1 . 2]" 1
665 1 60 TRP HB3 1 60 TRP HD1 . . 3.800 2.692 2.690 2.695 . 0 0 "[ . 1 . 2]" 1
666 1 60 TRP HE3 1 61 LEU H . . 4.900 4.872 4.837 4.939 0.039 13 0 "[ . 1 . 2]" 1
667 1 60 TRP HE3 1 61 LEU HA . . 4.700 3.787 3.758 3.846 . 0 0 "[ . 1 . 2]" 1
668 1 60 TRP HE3 1 61 LEU MD1 . . 4.300 4.300 4.236 4.351 0.051 17 0 "[ . 1 . 2]" 1
669 1 60 TRP HE3 1 61 LEU MD2 . . 4.000 2.785 2.703 2.913 . 0 0 "[ . 1 . 2]" 1
670 1 60 TRP HZ2 1 61 LEU MD2 . . 5.200 3.746 3.149 3.906 . 0 0 "[ . 1 . 2]" 1
671 1 60 TRP HZ3 1 61 LEU HA . . 5.100 4.882 4.799 4.918 . 0 0 "[ . 1 . 2]" 1
672 1 60 TRP HZ3 1 61 LEU MD1 . . 4.500 4.194 3.974 4.291 . 0 0 "[ . 1 . 2]" 1
673 1 60 TRP HZ3 1 61 LEU MD2 . . 4.300 2.626 2.552 2.695 . 0 0 "[ . 1 . 2]" 1
674 1 61 LEU H 1 61 LEU HB2 . . 3.700 2.403 2.374 2.412 . 0 0 "[ . 1 . 2]" 1
675 1 61 LEU H 1 61 LEU HB3 . . 3.800 3.247 3.229 3.293 . 0 0 "[ . 1 . 2]" 1
676 1 61 LEU H 1 61 LEU MD1 . . 5.000 4.278 4.272 4.285 . 0 0 "[ . 1 . 2]" 1
677 1 61 LEU H 1 61 LEU MD2 . . 4.200 3.394 3.282 3.430 . 0 0 "[ . 1 . 2]" 1
678 1 61 LEU H 1 62 ALA H . . 5.000 4.465 4.412 4.489 . 0 0 "[ . 1 . 2]" 1
679 1 61 LEU HA 1 61 LEU MD1 . . 4.200 1.967 1.962 1.974 . 0 0 "[ . 1 . 2]" 1
680 1 61 LEU HA 1 62 ALA H . . 2.700 2.212 2.163 2.247 . 0 0 "[ . 1 . 2]" 1
681 1 61 LEU HA 1 62 ALA MB . . 4.300 3.887 3.804 3.946 . 0 0 "[ . 1 . 2]" 1
682 1 61 LEU HB2 1 61 LEU MD2 . . 3.400 2.279 2.254 2.297 . 0 0 "[ . 1 . 2]" 1
683 1 61 LEU HB3 1 61 LEU MD2 . . 3.200 3.175 3.173 3.177 . 0 0 "[ . 1 . 2]" 1
684 1 61 LEU MD1 1 62 ALA H . . 3.800 2.116 2.014 2.393 . 0 0 "[ . 1 . 2]" 1
685 1 61 LEU MD2 1 62 ALA H . . 5.300 3.954 3.905 4.081 . 0 0 "[ . 1 . 2]" 1
686 1 62 ALA H 1 62 ALA MB . . 3.600 2.684 2.627 2.717 . 0 0 "[ . 1 . 2]" 1
687 1 62 ALA H 1 63 ALA H . . 5.000 4.400 4.386 4.416 . 0 0 "[ . 1 . 2]" 1
688 1 62 ALA HA 1 63 ALA H . . 2.700 2.511 2.437 2.576 . 0 0 "[ . 1 . 2]" 1
689 1 62 ALA MB 1 63 ALA H . . 3.500 2.238 2.099 2.404 . 0 0 "[ . 1 . 2]" 1
690 1 63 ALA H 1 64 GLU H . . 4.200 3.982 3.900 4.094 . 0 0 "[ . 1 . 2]" 1
691 1 63 ALA HA 1 64 GLU H . . 2.700 2.145 2.142 2.150 . 0 0 "[ . 1 . 2]" 1
692 1 63 ALA MB 1 64 GLU H . . 3.600 3.269 3.145 3.355 . 0 0 "[ . 1 . 2]" 1
693 1 64 GLU H 1 64 GLU QG . . 4.600 3.483 3.148 3.975 . 0 0 "[ . 1 . 2]" 1
694 1 64 GLU HA 1 65 PRO HD3 . . 3.700 2.346 2.345 2.347 . 0 0 "[ . 1 . 2]" 1
695 1 64 GLU HB2 1 65 PRO HD2 . . 4.200 3.607 3.586 3.628 . 0 0 "[ . 1 . 2]" 1
696 1 64 GLU HB2 1 65 PRO HD3 . . 4.700 4.687 4.676 4.697 . 0 0 "[ . 1 . 2]" 1
697 1 64 GLU HB3 1 65 PRO HD2 . . 4.300 2.065 2.001 2.138 . 0 0 "[ . 1 . 2]" 1
698 1 64 GLU HB3 1 65 PRO HD3 . . 4.500 3.499 3.446 3.558 . 0 0 "[ . 1 . 2]" 1
699 1 64 GLU HB3 1 65 PRO QG . . 3.600 3.567 3.531 3.610 0.010 3 0 "[ . 1 . 2]" 1
700 1 65 PRO HA 1 66 TYR H . . 2.700 2.547 2.197 2.635 . 0 0 "[ . 1 . 2]" 1
701 1 65 PRO HB2 1 66 TYR H . . 4.500 2.282 2.078 3.251 . 0 0 "[ . 1 . 2]" 1
702 1 65 PRO HB3 1 66 TYR H . . 4.500 3.303 3.211 3.818 . 0 0 "[ . 1 . 2]" 1
703 1 66 TYR HA 1 66 TYR QD . . 3.800 2.949 2.220 3.739 . 0 0 "[ . 1 . 2]" 1
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