NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
585339 |
2mpu   |
18776 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mpu
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 491
_Distance_constraint_stats_list.Viol_count 908
_Distance_constraint_stats_list.Viol_total 541.270
_Distance_constraint_stats_list.Viol_max 0.153
_Distance_constraint_stats_list.Viol_rms 0.0116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0298
_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 1 MET 0.407 0.055 18 0 "[ . 1 . 2]"
1 2 ALA 0.195 0.096 1 0 "[ . 1 . 2]"
1 3 GLU 1.396 0.096 1 0 "[ . 1 . 2]"
1 4 SER 0.432 0.093 10 0 "[ . 1 . 2]"
1 5 ASP 0.051 0.025 14 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.051 0.025 14 0 "[ . 1 . 2]"
1 8 GLU 0.608 0.066 14 0 "[ . 1 . 2]"
1 9 TYR 0.166 0.030 2 0 "[ . 1 . 2]"
1 10 ARG 0.266 0.040 2 0 "[ . 1 . 2]"
1 11 CYS 0.617 0.057 3 0 "[ . 1 . 2]"
1 12 PHE 0.182 0.026 6 0 "[ . 1 . 2]"
1 13 VAL 1.318 0.053 19 0 "[ . 1 . 2]"
1 14 GLY 0.264 0.065 10 0 "[ . 1 . 2]"
1 15 SER 0.691 0.046 15 0 "[ . 1 . 2]"
1 16 LEU 3.255 0.121 7 0 "[ . 1 . 2]"
1 17 SER 0.164 0.070 7 0 "[ . 1 . 2]"
1 18 TRP 0.314 0.043 13 0 "[ . 1 . 2]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 THR 0.324 0.039 9 0 "[ . 1 . 2]"
1 21 ASP 1.792 0.121 7 0 "[ . 1 . 2]"
1 22 ASP 1.815 0.091 11 0 "[ . 1 . 2]"
1 23 ARG 0.386 0.084 8 0 "[ . 1 . 2]"
1 24 GLY 0.190 0.031 5 0 "[ . 1 . 2]"
1 25 LEU 0.933 0.048 15 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.661 0.055 3 0 "[ . 1 . 2]"
1 28 ALA 0.065 0.027 1 0 "[ . 1 . 2]"
1 29 PHE 0.595 0.049 7 0 "[ . 1 . 2]"
1 30 SER 0.818 0.055 3 0 "[ . 1 . 2]"
1 31 SER 0.294 0.045 14 0 "[ . 1 . 2]"
1 32 PHE 0.008 0.007 10 0 "[ . 1 . 2]"
1 33 GLY 0.312 0.049 7 0 "[ . 1 . 2]"
1 34 GLU 0.035 0.011 11 0 "[ . 1 . 2]"
1 35 ILE 1.089 0.063 13 0 "[ . 1 . 2]"
1 36 LEU 0.121 0.030 10 0 "[ . 1 . 2]"
1 37 ASP 1.225 0.123 17 0 "[ . 1 . 2]"
1 38 ALA 1.477 0.123 17 0 "[ . 1 . 2]"
1 39 LYS 0.526 0.045 1 0 "[ . 1 . 2]"
1 40 ILE 0.402 0.062 1 0 "[ . 1 . 2]"
1 41 ILE 1.896 0.105 19 0 "[ . 1 . 2]"
1 42 ASN 0.039 0.039 13 0 "[ . 1 . 2]"
1 43 ASP 1.517 0.100 17 0 "[ . 1 . 2]"
1 44 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.514 0.074 11 0 "[ . 1 . 2]"
1 46 THR 0.037 0.018 8 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ARG 0.906 0.100 17 0 "[ . 1 . 2]"
1 49 SER 0.335 0.043 13 0 "[ . 1 . 2]"
1 50 ARG 0.564 0.072 9 0 "[ . 1 . 2]"
1 51 GLY 2.292 0.105 19 0 "[ . 1 . 2]"
1 52 PHE 0.988 0.065 10 0 "[ . 1 . 2]"
1 53 GLY 0.028 0.016 3 0 "[ . 1 . 2]"
1 54 PHE 0.171 0.045 1 0 "[ . 1 . 2]"
1 55 VAL 0.270 0.053 19 0 "[ . 1 . 2]"
1 56 SER 0.325 0.040 2 0 "[ . 1 . 2]"
1 57 PHE 0.202 0.062 14 0 "[ . 1 . 2]"
1 58 SER 0.051 0.012 7 0 "[ . 1 . 2]"
1 59 ASN 0.694 0.063 19 0 "[ . 1 . 2]"
1 60 GLU 0.577 0.063 19 0 "[ . 1 . 2]"
1 61 GLN 0.001 0.001 9 0 "[ . 1 . 2]"
1 62 ALA 0.077 0.020 6 0 "[ . 1 . 2]"
1 63 MET 0.236 0.047 20 0 "[ . 1 . 2]"
1 64 GLN 1.552 0.066 6 0 "[ . 1 . 2]"
1 65 ASP 0.111 0.027 17 0 "[ . 1 . 2]"
1 66 ALA 0.624 0.047 10 0 "[ . 1 . 2]"
1 67 ILE 1.598 0.086 13 0 "[ . 1 . 2]"
1 68 GLU 0.638 0.066 6 0 "[ . 1 . 2]"
1 69 GLY 0.081 0.027 17 0 "[ . 1 . 2]"
1 70 MET 3.665 0.153 19 0 "[ . 1 . 2]"
1 71 ASN 0.732 0.086 13 0 "[ . 1 . 2]"
1 72 GLY 0.451 0.036 11 0 "[ . 1 . 2]"
1 73 LYS 0.321 0.046 19 0 "[ . 1 . 2]"
1 74 GLU 0.336 0.053 16 0 "[ . 1 . 2]"
1 75 LEU 0.258 0.035 12 0 "[ . 1 . 2]"
1 76 ASP 0.557 0.046 15 0 "[ . 1 . 2]"
1 77 GLY 0.258 0.035 12 0 "[ . 1 . 2]"
1 78 ARG 0.703 0.076 7 0 "[ . 1 . 2]"
1 79 SER 0.016 0.016 13 0 "[ . 1 . 2]"
1 80 ILE 0.032 0.011 16 0 "[ . 1 . 2]"
1 81 VAL 0.544 0.034 3 0 "[ . 1 . 2]"
1 82 VAL 3.088 0.153 19 0 "[ . 1 . 2]"
1 83 ASN 0.586 0.089 8 0 "[ . 1 . 2]"
1 84 GLU 1.371 0.089 8 0 "[ . 1 . 2]"
1 85 ALA 0.269 0.029 10 0 "[ . 1 . 2]"
1 86 GLN 0.298 0.064 17 0 "[ . 1 . 2]"
1 87 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLY 0.000 0.000 . 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 1 MET HB2 1 3 GLU H . . 4.950 4.938 4.530 5.005 0.055 18 0 "[ . 1 . 2]" 1
2 1 2 ALA H 1 3 GLU H . . 4.050 3.881 3.550 4.146 0.096 1 0 "[ . 1 . 2]" 1
3 1 3 GLU H 1 4 SER H . . 4.050 4.020 3.859 4.143 0.093 10 0 "[ . 1 . 2]" 1
4 1 3 GLU HA 1 3 GLU HG2 . . 4.270 3.454 2.569 3.744 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLU HA 1 3 GLU HG3 . . 4.130 3.044 2.356 4.181 0.051 13 0 "[ . 1 . 2]" 1
6 1 3 GLU HA 1 4 SER H . . 4.350 2.230 2.007 2.438 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLU HB3 1 8 GLU HA . . 4.170 3.948 2.415 4.236 0.066 14 0 "[ . 1 . 2]" 1
8 1 5 ASP H 1 6 GLY H . . 3.460 2.909 2.538 3.181 . 0 0 "[ . 1 . 2]" 1
9 1 5 ASP HA 1 7 ALA H . . 4.740 4.048 3.419 4.765 0.025 14 0 "[ . 1 . 2]" 1
10 1 6 GLY H 1 7 ALA H . . 4.470 2.498 1.739 2.744 . 0 0 "[ . 1 . 2]" 1
11 1 6 GLY QA 1 7 ALA H . . 3.780 2.900 2.595 2.974 . 0 0 "[ . 1 . 2]" 1
12 1 8 GLU HA 1 9 TYR H . . 3.420 2.315 2.146 2.480 . 0 0 "[ . 1 . 2]" 1
13 1 8 GLU QB 1 9 TYR H . . 4.240 2.731 2.272 4.002 . 0 0 "[ . 1 . 2]" 1
14 1 8 GLU QG 1 86 GLN HA . . 3.830 3.525 2.605 3.894 0.064 17 0 "[ . 1 . 2]" 1
15 1 9 TYR H 1 9 TYR HB3 . . 4.310 3.545 3.115 3.761 . 0 0 "[ . 1 . 2]" 1
16 1 9 TYR H 1 10 ARG H . . 5.180 3.840 3.574 4.304 . 0 0 "[ . 1 . 2]" 1
17 1 9 TYR HA 1 10 ARG H . . 3.610 2.281 2.144 2.415 . 0 0 "[ . 1 . 2]" 1
18 1 9 TYR HA 1 63 MET QG . . 4.280 3.791 2.357 4.310 0.030 2 0 "[ . 1 . 2]" 1
19 1 9 TYR HB3 1 60 GLU HA . . 4.960 3.294 2.464 4.914 . 0 0 "[ . 1 . 2]" 1
20 1 10 ARG H 1 10 ARG HB2 . . 4.180 3.416 2.757 4.041 . 0 0 "[ . 1 . 2]" 1
21 1 10 ARG H 1 10 ARG QD . . 5.500 4.806 4.196 5.275 . 0 0 "[ . 1 . 2]" 1
22 1 10 ARG H 1 11 CYS H . . 4.760 4.414 4.261 4.559 . 0 0 "[ . 1 . 2]" 1
23 1 10 ARG H 1 63 MET QG . . 5.480 4.399 3.368 5.171 . 0 0 "[ . 1 . 2]" 1
24 1 10 ARG HA 1 10 ARG QD . . 4.970 4.229 3.875 4.616 . 0 0 "[ . 1 . 2]" 1
25 1 10 ARG HA 1 10 ARG HG3 . . 4.310 2.979 2.528 3.921 . 0 0 "[ . 1 . 2]" 1
26 1 10 ARG HA 1 11 CYS H . . 3.400 2.240 2.134 2.319 . 0 0 "[ . 1 . 2]" 1
27 1 10 ARG HA 1 56 SER HA . . 4.000 2.345 2.141 2.569 . 0 0 "[ . 1 . 2]" 1
28 1 10 ARG HA 1 56 SER HB3 . . 4.850 4.225 2.669 4.890 0.040 2 0 "[ . 1 . 2]" 1
29 1 10 ARG HB2 1 11 CYS H . . 4.870 3.725 2.517 4.382 . 0 0 "[ . 1 . 2]" 1
30 1 10 ARG QD 1 85 ALA MB . . 4.230 3.242 2.651 3.867 . 0 0 "[ . 1 . 2]" 1
31 1 10 ARG HG2 1 85 ALA H . . 4.510 4.431 4.267 4.539 0.029 10 0 "[ . 1 . 2]" 1
32 1 10 ARG HG3 1 11 CYS H . . 4.340 3.273 2.660 4.117 . 0 0 "[ . 1 . 2]" 1
33 1 10 ARG O 1 85 ALA H . . 2.800 2.044 1.898 2.418 . 0 0 "[ . 1 . 2]" 1
34 1 10 ARG O 1 85 ALA N . . 3.800 2.991 2.866 3.348 . 0 0 "[ . 1 . 2]" 1
35 1 11 CYS H 1 11 CYS HB2 . . 4.250 3.938 3.863 3.998 . 0 0 "[ . 1 . 2]" 1
36 1 11 CYS H 1 55 VAL O . . 2.800 1.950 1.840 2.062 . 0 0 "[ . 1 . 2]" 1
37 1 11 CYS HA 1 12 PHE H . . 3.550 2.261 2.183 2.336 . 0 0 "[ . 1 . 2]" 1
38 1 11 CYS HA 1 84 GLU HA . . 4.510 2.525 2.227 2.865 . 0 0 "[ . 1 . 2]" 1
39 1 11 CYS HA 1 85 ALA H . . 4.220 2.501 2.197 2.928 . 0 0 "[ . 1 . 2]" 1
40 1 11 CYS HB2 1 12 PHE H . . 4.300 2.691 2.507 3.012 . 0 0 "[ . 1 . 2]" 1
41 1 11 CYS HB2 1 82 VAL MG1 . . 4.800 4.449 3.936 4.801 0.001 1 0 "[ . 1 . 2]" 1
42 1 11 CYS HB2 1 84 GLU H . . 4.240 4.264 4.098 4.297 0.057 3 0 "[ . 1 . 2]" 1
43 1 11 CYS HB3 1 85 ALA H . . 5.350 4.043 3.356 4.708 . 0 0 "[ . 1 . 2]" 1
44 1 11 CYS N 1 55 VAL O . . 3.800 2.942 2.832 3.035 . 0 0 "[ . 1 . 2]" 1
45 1 11 CYS O 1 55 VAL H . . 2.800 1.946 1.845 2.148 . 0 0 "[ . 1 . 2]" 1
46 1 11 CYS O 1 55 VAL N . . 3.800 2.913 2.833 3.060 . 0 0 "[ . 1 . 2]" 1
47 1 12 PHE H 1 12 PHE QB . . 3.850 2.196 2.114 2.301 . 0 0 "[ . 1 . 2]" 1
48 1 12 PHE H 1 12 PHE QD . . 5.440 3.967 2.352 4.259 . 0 0 "[ . 1 . 2]" 1
49 1 12 PHE H 1 83 ASN H . . 4.980 3.118 2.844 3.320 . 0 0 "[ . 1 . 2]" 1
50 1 12 PHE H 1 83 ASN O . . 2.800 1.813 1.760 1.985 . 0 0 "[ . 1 . 2]" 1
51 1 12 PHE H 1 85 ALA H . . 5.390 4.169 3.920 4.547 . 0 0 "[ . 1 . 2]" 1
52 1 12 PHE H 1 85 ALA HA . . 4.660 4.513 3.751 4.686 0.026 6 0 "[ . 1 . 2]" 1
53 1 12 PHE H 1 85 ALA MB . . 4.810 2.974 2.582 3.846 . 0 0 "[ . 1 . 2]" 1
54 1 12 PHE HA 1 13 VAL H . . 3.540 2.223 2.176 2.295 . 0 0 "[ . 1 . 2]" 1
55 1 12 PHE QD 1 13 VAL H . . 5.500 3.285 2.829 3.903 . 0 0 "[ . 1 . 2]" 1
56 1 12 PHE QD 1 53 GLY H . . 4.700 4.389 4.033 4.716 0.016 3 0 "[ . 1 . 2]" 1
57 1 12 PHE QD 1 83 ASN H . . 5.320 3.774 2.896 4.777 . 0 0 "[ . 1 . 2]" 1
58 1 12 PHE N 1 83 ASN O . . 3.800 2.793 2.736 2.894 . 0 0 "[ . 1 . 2]" 1
59 1 12 PHE O 1 83 ASN H . . 2.800 2.501 2.097 2.821 0.021 4 0 "[ . 1 . 2]" 1
60 1 12 PHE O 1 83 ASN N . . 3.800 3.469 3.085 3.773 . 0 0 "[ . 1 . 2]" 1
61 1 13 VAL H 1 13 VAL HB . . 4.340 3.423 2.675 3.844 . 0 0 "[ . 1 . 2]" 1
62 1 13 VAL H 1 13 VAL MG2 . . 4.310 2.561 2.319 3.010 . 0 0 "[ . 1 . 2]" 1
63 1 13 VAL H 1 52 PHE HB3 . . 5.230 5.019 4.109 5.265 0.035 9 0 "[ . 1 . 2]" 1
64 1 13 VAL H 1 53 GLY H . . 5.300 2.940 2.787 3.108 . 0 0 "[ . 1 . 2]" 1
65 1 13 VAL HA 1 14 GLY HA3 . . 4.950 4.489 4.404 4.585 . 0 0 "[ . 1 . 2]" 1
66 1 13 VAL HA 1 82 VAL HA . . 4.530 3.151 2.720 3.517 . 0 0 "[ . 1 . 2]" 1
67 1 13 VAL HB 1 53 GLY H . . 4.710 3.973 2.969 4.548 . 0 0 "[ . 1 . 2]" 1
68 1 13 VAL MG1 1 14 GLY H . . 4.610 3.464 2.632 3.887 . 0 0 "[ . 1 . 2]" 1
69 1 13 VAL MG1 1 25 LEU HB3 . . 4.300 3.913 2.986 4.341 0.041 3 0 "[ . 1 . 2]" 1
70 1 13 VAL MG1 1 53 GLY H . . 5.380 4.779 4.038 5.332 . 0 0 "[ . 1 . 2]" 1
71 1 13 VAL MG1 1 55 VAL HB . . 4.140 3.968 3.562 4.193 0.053 19 0 "[ . 1 . 2]" 1
72 1 13 VAL MG1 1 81 VAL H . . 4.390 4.389 4.208 4.424 0.034 3 0 "[ . 1 . 2]" 1
73 1 13 VAL MG1 1 82 VAL HA . . 4.940 3.804 2.970 4.905 . 0 0 "[ . 1 . 2]" 1
74 1 13 VAL MG1 1 82 VAL MG1 . . 4.360 2.458 2.009 3.493 . 0 0 "[ . 1 . 2]" 1
75 1 13 VAL MG2 1 14 GLY H . . 5.500 4.327 4.119 4.500 . 0 0 "[ . 1 . 2]" 1
76 1 13 VAL MG2 1 25 LEU HB2 . . 4.910 4.131 3.390 4.958 0.048 15 0 "[ . 1 . 2]" 1
77 1 13 VAL MG2 1 25 LEU HB3 . . 4.540 3.897 3.151 4.580 0.040 19 0 "[ . 1 . 2]" 1
78 1 13 VAL MG2 1 55 VAL MG1 . . 4.460 2.843 2.046 4.461 0.001 2 0 "[ . 1 . 2]" 1
79 1 13 VAL MG2 1 82 VAL MG1 . . 4.600 3.804 2.544 4.564 . 0 0 "[ . 1 . 2]" 1
80 1 13 VAL O 1 53 GLY H . . 2.800 1.975 1.846 2.176 . 0 0 "[ . 1 . 2]" 1
81 1 13 VAL O 1 53 GLY N . . 3.800 2.908 2.800 3.071 . 0 0 "[ . 1 . 2]" 1
82 1 14 GLY H 1 81 VAL H . . 4.850 2.826 2.540 3.238 . 0 0 "[ . 1 . 2]" 1
83 1 14 GLY H 1 81 VAL HB . . 4.800 3.540 3.035 4.148 . 0 0 "[ . 1 . 2]" 1
84 1 14 GLY H 1 81 VAL O . . 2.800 2.235 1.907 2.804 0.004 10 0 "[ . 1 . 2]" 1
85 1 14 GLY H 1 82 VAL HA . . 5.300 4.183 3.480 4.823 . 0 0 "[ . 1 . 2]" 1
86 1 14 GLY H 1 82 VAL MG1 . . 4.720 4.170 3.507 4.687 . 0 0 "[ . 1 . 2]" 1
87 1 14 GLY HA2 1 15 SER H . . 4.450 2.134 2.010 2.212 . 0 0 "[ . 1 . 2]" 1
88 1 14 GLY HA2 1 16 LEU H . . 5.030 3.596 3.112 3.907 . 0 0 "[ . 1 . 2]" 1
89 1 14 GLY HA3 1 15 SER H . . 4.460 3.176 2.842 3.322 . 0 0 "[ . 1 . 2]" 1
90 1 14 GLY HA3 1 52 PHE HB2 . . 4.940 4.277 3.569 5.005 0.065 10 0 "[ . 1 . 2]" 1
91 1 14 GLY HA3 1 52 PHE HB3 . . 4.120 3.554 2.867 4.169 0.049 3 0 "[ . 1 . 2]" 1
92 1 14 GLY N 1 81 VAL O . . 3.800 3.203 2.911 3.672 . 0 0 "[ . 1 . 2]" 1
93 1 14 GLY O 1 81 VAL H . . 2.800 2.338 1.957 2.829 0.029 10 0 "[ . 1 . 2]" 1
94 1 14 GLY O 1 81 VAL N . . 3.800 3.229 2.916 3.702 . 0 0 "[ . 1 . 2]" 1
95 1 15 SER H 1 15 SER QB . . 3.560 3.321 2.950 3.594 0.034 1 0 "[ . 1 . 2]" 1
96 1 15 SER H 1 16 LEU H . . 4.500 1.830 1.658 2.083 . 0 0 "[ . 1 . 2]" 1
97 1 15 SER H 1 51 GLY O . . 2.800 2.244 1.906 2.738 . 0 0 "[ . 1 . 2]" 1
98 1 15 SER HA 1 80 ILE HA . . 4.290 3.679 3.136 4.301 0.011 16 0 "[ . 1 . 2]" 1
99 1 15 SER QB 1 16 LEU H . . 4.020 3.513 2.755 4.054 0.034 6 0 "[ . 1 . 2]" 1
100 1 15 SER QB 1 76 ASP HB3 . . 4.450 4.460 4.095 4.496 0.046 15 0 "[ . 1 . 2]" 1
101 1 15 SER QB 1 80 ILE HA . . 4.290 2.609 2.052 3.865 . 0 0 "[ . 1 . 2]" 1
102 1 15 SER QB 1 81 VAL H . . 5.000 3.993 3.444 4.897 . 0 0 "[ . 1 . 2]" 1
103 1 15 SER N 1 51 GLY O . . 3.800 3.164 2.896 3.486 . 0 0 "[ . 1 . 2]" 1
104 1 16 LEU H 1 16 LEU HB2 . . 3.740 2.720 2.614 2.870 . 0 0 "[ . 1 . 2]" 1
105 1 16 LEU H 1 16 LEU HB3 . . 3.930 3.637 3.564 3.767 . 0 0 "[ . 1 . 2]" 1
106 1 16 LEU H 1 16 LEU MD1 . . 4.890 3.706 3.524 3.929 . 0 0 "[ . 1 . 2]" 1
107 1 16 LEU H 1 16 LEU MD2 . . 5.030 2.859 2.573 3.198 . 0 0 "[ . 1 . 2]" 1
108 1 16 LEU H 1 51 GLY O . . 2.800 2.172 1.889 2.738 . 0 0 "[ . 1 . 2]" 1
109 1 16 LEU HA 1 17 SER H . . 3.760 2.312 2.168 2.429 . 0 0 "[ . 1 . 2]" 1
110 1 16 LEU HB2 1 17 SER H . . 4.580 3.294 3.025 3.730 . 0 0 "[ . 1 . 2]" 1
111 1 16 LEU HB3 1 17 SER H . . 5.050 2.317 2.152 2.654 . 0 0 "[ . 1 . 2]" 1
112 1 16 LEU HB3 1 21 ASP HA . . 3.960 4.043 3.987 4.081 0.121 7 0 "[ . 1 . 2]" 1
113 1 16 LEU HB3 1 51 GLY HA3 . . 4.840 4.895 4.851 4.931 0.091 7 0 "[ . 1 . 2]" 1
114 1 16 LEU MD1 1 17 SER H . . 4.810 4.174 3.973 4.450 . 0 0 "[ . 1 . 2]" 1
115 1 16 LEU MD1 1 20 THR HB . . 4.800 3.264 3.106 3.508 . 0 0 "[ . 1 . 2]" 1
116 1 16 LEU MD1 1 21 ASP HA . . 4.670 2.640 2.349 2.987 . 0 0 "[ . 1 . 2]" 1
117 1 16 LEU MD1 1 40 ILE QG . . 3.450 2.035 1.924 2.161 . 0 0 "[ . 1 . 2]" 1
118 1 16 LEU MD1 1 41 ILE H . . 3.880 3.527 2.947 3.680 . 0 0 "[ . 1 . 2]" 1
119 1 16 LEU MD1 1 52 PHE H . . 4.850 3.458 3.052 3.727 . 0 0 "[ . 1 . 2]" 1
120 1 16 LEU MD1 1 52 PHE HA . . 4.690 3.503 3.209 3.833 . 0 0 "[ . 1 . 2]" 1
121 1 16 LEU MD1 1 53 GLY H . . 4.550 4.111 3.747 4.298 . 0 0 "[ . 1 . 2]" 1
122 1 16 LEU MD2 1 52 PHE H . . 5.460 5.482 5.439 5.500 0.040 20 0 "[ . 1 . 2]" 1
123 1 16 LEU N 1 51 GLY O . . 3.800 2.878 2.775 3.112 . 0 0 "[ . 1 . 2]" 1
124 1 17 SER H 1 78 ARG HG3 . . 5.150 4.987 4.376 5.220 0.070 7 0 "[ . 1 . 2]" 1
125 1 17 SER HA 1 19 ASN H . . 4.770 4.296 4.006 4.665 . 0 0 "[ . 1 . 2]" 1
126 1 17 SER O 1 20 THR H . . 2.800 2.379 1.951 2.813 0.013 16 0 "[ . 1 . 2]" 1
127 1 17 SER O 1 20 THR N . . 3.800 3.153 2.907 3.453 . 0 0 "[ . 1 . 2]" 1
128 1 18 TRP H 1 19 ASN H . . 5.370 3.022 2.866 3.255 . 0 0 "[ . 1 . 2]" 1
129 1 18 TRP H 1 20 THR H . . 5.290 4.493 4.360 4.696 . 0 0 "[ . 1 . 2]" 1
130 1 18 TRP H 1 49 SER HB2 . . 4.140 4.061 3.586 4.183 0.043 13 0 "[ . 1 . 2]" 1
131 1 18 TRP HA 1 49 SER HB3 . . 4.560 3.733 2.452 4.586 0.026 10 0 "[ . 1 . 2]" 1
132 1 18 TRP HB2 1 19 ASN H . . 5.500 4.087 3.874 4.327 . 0 0 "[ . 1 . 2]" 1
133 1 19 ASN H 1 19 ASN HB2 . . 3.840 2.759 2.440 3.766 . 0 0 "[ . 1 . 2]" 1
134 1 19 ASN H 1 20 THR H . . 3.920 2.399 2.016 2.620 . 0 0 "[ . 1 . 2]" 1
135 1 19 ASN HA 1 20 THR H . . 5.010 3.520 3.316 3.624 . 0 0 "[ . 1 . 2]" 1
136 1 19 ASN HB2 1 20 THR H . . 5.310 4.129 3.058 4.497 . 0 0 "[ . 1 . 2]" 1
137 1 20 THR H 1 20 THR HB . . 3.650 3.031 2.885 3.139 . 0 0 "[ . 1 . 2]" 1
138 1 20 THR HA 1 21 ASP H . . 3.230 2.302 2.213 2.379 . 0 0 "[ . 1 . 2]" 1
139 1 20 THR HB 1 21 ASP H . . 5.500 3.424 3.261 3.740 . 0 0 "[ . 1 . 2]" 1
140 1 20 THR MG 1 21 ASP H . . 3.950 2.300 2.170 2.520 . 0 0 "[ . 1 . 2]" 1
141 1 20 THR MG 1 25 LEU H . . 3.850 3.851 3.712 3.889 0.039 9 0 "[ . 1 . 2]" 1
142 1 21 ASP H 1 24 GLY H . . 4.730 3.200 2.901 3.490 . 0 0 "[ . 1 . 2]" 1
143 1 21 ASP HA 1 22 ASP H . . 3.650 2.786 2.675 2.929 . 0 0 "[ . 1 . 2]" 1
144 1 21 ASP HB2 1 22 ASP H . . 3.520 2.392 1.884 3.300 . 0 0 "[ . 1 . 2]" 1
145 1 21 ASP O 1 25 LEU H . . 2.800 2.575 2.081 2.835 0.035 2 0 "[ . 1 . 2]" 1
146 1 21 ASP O 1 25 LEU N . . 3.800 3.547 3.099 3.807 0.007 4 0 "[ . 1 . 2]" 1
147 1 22 ASP H 1 22 ASP HB2 . . 4.020 3.617 3.511 3.692 . 0 0 "[ . 1 . 2]" 1
148 1 22 ASP H 1 22 ASP HB3 . . 3.470 2.726 2.474 2.978 . 0 0 "[ . 1 . 2]" 1
149 1 22 ASP H 1 23 ARG H . . 5.500 2.841 2.728 2.989 . 0 0 "[ . 1 . 2]" 1
150 1 22 ASP H 1 40 ILE QG . . 4.870 3.182 2.616 3.622 . 0 0 "[ . 1 . 2]" 1
151 1 22 ASP HA 1 25 LEU H . . 4.400 3.496 3.128 3.932 . 0 0 "[ . 1 . 2]" 1
152 1 22 ASP HA 1 25 LEU HB3 . . 4.770 4.407 3.759 4.806 0.036 15 0 "[ . 1 . 2]" 1
153 1 22 ASP HA 1 40 ILE HB . . 4.140 3.557 3.156 4.156 0.016 13 0 "[ . 1 . 2]" 1
154 1 22 ASP HA 1 40 ILE QG . . 4.500 4.484 4.174 4.562 0.062 1 0 "[ . 1 . 2]" 1
155 1 22 ASP HB2 1 23 ARG H . . 4.940 3.822 3.268 4.129 . 0 0 "[ . 1 . 2]" 1
156 1 22 ASP HB3 1 23 ARG H . . 4.270 4.213 4.070 4.319 0.049 11 0 "[ . 1 . 2]" 1
157 1 22 ASP HB3 1 38 ALA H . . 5.040 5.095 5.051 5.131 0.091 11 0 "[ . 1 . 2]" 1
158 1 22 ASP O 1 26 GLU H . . 2.800 1.901 1.792 2.107 . 0 0 "[ . 1 . 2]" 1
159 1 22 ASP O 1 26 GLU N . . 3.800 2.890 2.775 3.060 . 0 0 "[ . 1 . 2]" 1
160 1 23 ARG H 1 23 ARG HB2 . . 3.430 2.401 2.163 2.596 . 0 0 "[ . 1 . 2]" 1
161 1 23 ARG H 1 23 ARG HB3 . . 3.900 2.950 2.361 3.641 . 0 0 "[ . 1 . 2]" 1
162 1 23 ARG H 1 24 GLY H . . 4.040 2.790 2.519 3.057 . 0 0 "[ . 1 . 2]" 1
163 1 23 ARG HA 1 26 GLU H . . 4.450 3.551 2.870 3.964 . 0 0 "[ . 1 . 2]" 1
164 1 23 ARG HA 1 26 GLU HB2 . . 4.220 3.375 2.650 4.216 . 0 0 "[ . 1 . 2]" 1
165 1 23 ARG HB2 1 23 ARG HD2 . . 4.250 2.775 2.281 3.921 . 0 0 "[ . 1 . 2]" 1
166 1 23 ARG HB2 1 24 GLY H . . 4.150 3.592 2.754 4.023 . 0 0 "[ . 1 . 2]" 1
167 1 23 ARG HB3 1 23 ARG HD2 . . 3.400 2.956 2.487 3.484 0.084 8 0 "[ . 1 . 2]" 1
168 1 23 ARG O 1 27 ALA H . . 2.800 2.148 1.927 2.599 . 0 0 "[ . 1 . 2]" 1
169 1 23 ARG O 1 27 ALA N . . 3.800 3.102 2.912 3.525 . 0 0 "[ . 1 . 2]" 1
170 1 24 GLY H 1 25 LEU H . . 5.120 2.664 2.452 2.805 . 0 0 "[ . 1 . 2]" 1
171 1 24 GLY HA2 1 25 LEU H . . 4.430 3.594 3.554 3.645 . 0 0 "[ . 1 . 2]" 1
172 1 24 GLY HA2 1 27 ALA H . . 3.610 3.573 3.323 3.641 0.031 5 0 "[ . 1 . 2]" 1
173 1 24 GLY O 1 28 ALA H . . 2.800 2.364 1.869 2.805 0.005 1 0 "[ . 1 . 2]" 1
174 1 24 GLY O 1 28 ALA N . . 3.800 3.282 2.881 3.726 . 0 0 "[ . 1 . 2]" 1
175 1 25 LEU H 1 25 LEU HB2 . . 3.970 2.897 2.185 3.750 . 0 0 "[ . 1 . 2]" 1
176 1 25 LEU H 1 25 LEU HB3 . . 3.840 3.296 2.608 3.684 . 0 0 "[ . 1 . 2]" 1
177 1 25 LEU H 1 26 GLU H . . 4.280 2.706 2.513 3.018 . 0 0 "[ . 1 . 2]" 1
178 1 25 LEU HA 1 28 ALA MB . . 4.300 2.645 2.243 3.166 . 0 0 "[ . 1 . 2]" 1
179 1 25 LEU HB2 1 26 GLU H . . 4.190 3.121 2.246 4.109 . 0 0 "[ . 1 . 2]" 1
180 1 25 LEU HB3 1 26 GLU H . . 4.640 3.708 3.219 4.288 . 0 0 "[ . 1 . 2]" 1
181 1 25 LEU O 1 29 PHE H . . 2.800 2.062 1.897 2.648 . 0 0 "[ . 1 . 2]" 1
182 1 25 LEU O 1 29 PHE N . . 3.800 3.018 2.837 3.554 . 0 0 "[ . 1 . 2]" 1
183 1 26 GLU H 1 26 GLU HB3 . . 3.850 2.510 2.266 2.759 . 0 0 "[ . 1 . 2]" 1
184 1 26 GLU H 1 27 ALA H . . 3.780 2.934 2.810 3.039 . 0 0 "[ . 1 . 2]" 1
185 1 26 GLU HA 1 29 PHE H . . 4.090 3.707 3.404 4.018 . 0 0 "[ . 1 . 2]" 1
186 1 26 GLU HA 1 35 ILE MD . . 4.450 3.426 2.447 4.219 . 0 0 "[ . 1 . 2]" 1
187 1 26 GLU HB3 1 27 ALA H . . 3.360 2.608 2.487 2.747 . 0 0 "[ . 1 . 2]" 1
188 1 26 GLU HG2 1 27 ALA HA . . 4.450 3.808 3.372 4.349 . 0 0 "[ . 1 . 2]" 1
189 1 26 GLU O 1 30 SER H . . 2.800 2.049 1.844 2.675 . 0 0 "[ . 1 . 2]" 1
190 1 26 GLU O 1 30 SER N . . 3.800 2.922 2.773 3.370 . 0 0 "[ . 1 . 2]" 1
191 1 27 ALA H 1 27 ALA MB . . 3.430 2.188 2.123 2.210 . 0 0 "[ . 1 . 2]" 1
192 1 27 ALA H 1 28 ALA H . . 4.300 2.762 2.621 2.826 . 0 0 "[ . 1 . 2]" 1
193 1 27 ALA HA 1 30 SER H . . 3.460 3.474 3.308 3.515 0.055 3 0 "[ . 1 . 2]" 1
194 1 27 ALA MB 1 28 ALA H . . 4.010 2.694 2.431 3.029 . 0 0 "[ . 1 . 2]" 1
195 1 28 ALA H 1 28 ALA HA . . 2.920 2.884 2.791 2.947 0.027 1 0 "[ . 1 . 2]" 1
196 1 28 ALA H 1 28 ALA MB . . 3.190 2.218 2.171 2.280 . 0 0 "[ . 1 . 2]" 1
197 1 28 ALA H 1 29 PHE H . . 4.300 2.681 2.377 2.935 . 0 0 "[ . 1 . 2]" 1
198 1 28 ALA HA 1 29 PHE H . . 4.780 3.576 3.516 3.626 . 0 0 "[ . 1 . 2]" 1
199 1 28 ALA MB 1 29 PHE H . . 4.170 2.716 2.478 2.925 . 0 0 "[ . 1 . 2]" 1
200 1 28 ALA MB 1 30 SER H . . 5.500 4.627 4.489 4.757 . 0 0 "[ . 1 . 2]" 1
201 1 28 ALA MB 1 75 LEU MD1 . . 3.620 2.362 2.054 2.658 . 0 0 "[ . 1 . 2]" 1
202 1 29 PHE H 1 29 PHE HB3 . . 3.820 3.370 2.424 3.664 . 0 0 "[ . 1 . 2]" 1
203 1 29 PHE H 1 30 SER H . . 3.650 2.552 2.336 2.776 . 0 0 "[ . 1 . 2]" 1
204 1 29 PHE H 1 35 ILE MD . . 5.460 4.570 3.402 5.163 . 0 0 "[ . 1 . 2]" 1
205 1 29 PHE HA 1 30 SER H . . 5.320 3.523 3.377 3.573 . 0 0 "[ . 1 . 2]" 1
206 1 29 PHE HA 1 31 SER H . . 3.770 3.738 3.552 3.815 0.045 14 0 "[ . 1 . 2]" 1
207 1 29 PHE HB2 1 30 SER H . . 5.480 3.438 3.030 4.489 . 0 0 "[ . 1 . 2]" 1
208 1 29 PHE HB2 1 35 ILE MD . . 4.250 3.032 2.350 3.888 . 0 0 "[ . 1 . 2]" 1
209 1 29 PHE HB3 1 30 SER H . . 5.250 3.742 2.919 4.300 . 0 0 "[ . 1 . 2]" 1
210 1 29 PHE HB3 1 35 ILE MD . . 4.690 2.496 2.073 4.405 . 0 0 "[ . 1 . 2]" 1
211 1 29 PHE O 1 32 PHE H . . 2.800 2.000 1.850 2.224 . 0 0 "[ . 1 . 2]" 1
212 1 29 PHE O 1 32 PHE N . . 3.800 2.970 2.781 3.139 . 0 0 "[ . 1 . 2]" 1
213 1 29 PHE O 1 33 GLY H . . 2.800 2.734 2.234 2.849 0.049 7 0 "[ . 1 . 2]" 1
214 1 29 PHE O 1 33 GLY N . . 3.800 3.644 3.134 3.770 . 0 0 "[ . 1 . 2]" 1
215 1 30 SER H 1 31 SER H . . 3.560 2.926 2.751 3.168 . 0 0 "[ . 1 . 2]" 1
216 1 30 SER HA 1 35 ILE MD . . 3.830 3.797 3.285 3.872 0.042 14 0 "[ . 1 . 2]" 1
217 1 31 SER H 1 31 SER HB3 . . 4.190 3.202 2.557 3.659 . 0 0 "[ . 1 . 2]" 1
218 1 31 SER H 1 32 PHE H . . 4.240 2.665 2.417 2.876 . 0 0 "[ . 1 . 2]" 1
219 1 31 SER HA 1 32 PHE H . . 4.870 3.489 3.402 3.570 . 0 0 "[ . 1 . 2]" 1
220 1 32 PHE H 1 32 PHE HB3 . . 4.270 3.637 3.588 3.736 . 0 0 "[ . 1 . 2]" 1
221 1 32 PHE H 1 33 GLY H . . 4.180 2.369 2.301 2.540 . 0 0 "[ . 1 . 2]" 1
222 1 32 PHE HB3 1 62 ALA HA . . 4.410 3.461 2.555 4.417 0.007 10 0 "[ . 1 . 2]" 1
223 1 32 PHE HB3 1 62 ALA MB . . 4.820 3.250 2.478 4.642 . 0 0 "[ . 1 . 2]" 1
224 1 33 GLY HA2 1 34 GLU H . . 4.060 2.637 2.272 2.974 . 0 0 "[ . 1 . 2]" 1
225 1 33 GLY HA2 1 62 ALA MB . . 4.190 3.695 3.174 4.196 0.006 14 0 "[ . 1 . 2]" 1
226 1 33 GLY HA3 1 34 GLU H . . 4.300 2.476 2.274 2.970 . 0 0 "[ . 1 . 2]" 1
227 1 33 GLY HA3 1 62 ALA MB . . 4.530 2.499 2.037 3.633 . 0 0 "[ . 1 . 2]" 1
228 1 34 GLU H 1 34 GLU HB2 . . 3.790 2.467 2.300 2.811 . 0 0 "[ . 1 . 2]" 1
229 1 34 GLU HB2 1 35 ILE H . . 4.420 4.264 3.953 4.431 0.011 11 0 "[ . 1 . 2]" 1
230 1 35 ILE H 1 36 LEU H . . 4.880 4.578 4.485 4.679 . 0 0 "[ . 1 . 2]" 1
231 1 35 ILE HA 1 35 ILE MD . . 4.280 2.174 2.056 3.583 . 0 0 "[ . 1 . 2]" 1
232 1 35 ILE HA 1 36 LEU H . . 3.680 2.151 2.044 2.287 . 0 0 "[ . 1 . 2]" 1
233 1 35 ILE HA 1 37 ASP H . . 4.850 4.006 3.607 4.674 . 0 0 "[ . 1 . 2]" 1
234 1 35 ILE HA 1 57 PHE HA . . 4.350 2.697 2.283 3.582 . 0 0 "[ . 1 . 2]" 1
235 1 35 ILE MD 1 36 LEU H . . 4.170 3.192 2.459 4.083 . 0 0 "[ . 1 . 2]" 1
236 1 35 ILE MD 1 37 ASP H . . 3.780 3.783 3.119 3.843 0.063 13 0 "[ . 1 . 2]" 1
237 1 35 ILE MD 1 56 SER H . . 4.850 3.396 2.988 3.906 . 0 0 "[ . 1 . 2]" 1
238 1 35 ILE MD 1 57 PHE HA . . 4.970 3.153 2.431 4.759 . 0 0 "[ . 1 . 2]" 1
239 1 36 LEU H 1 36 LEU QB . . 3.660 2.410 2.252 2.577 . 0 0 "[ . 1 . 2]" 1
240 1 36 LEU H 1 37 ASP H . . 3.850 2.252 2.096 2.487 . 0 0 "[ . 1 . 2]" 1
241 1 36 LEU H 1 56 SER O . . 2.800 1.921 1.810 2.061 . 0 0 "[ . 1 . 2]" 1
242 1 36 LEU HA 1 36 LEU MD1 . . 4.470 3.512 2.121 3.895 . 0 0 "[ . 1 . 2]" 1
243 1 36 LEU QB 1 37 ASP H . . 3.970 2.751 2.374 3.300 . 0 0 "[ . 1 . 2]" 1
244 1 36 LEU QB 1 58 SER HA . . 4.900 4.332 2.718 4.912 0.012 7 0 "[ . 1 . 2]" 1
245 1 36 LEU MD1 1 56 SER HB2 . . 5.010 4.602 3.265 5.040 0.030 10 0 "[ . 1 . 2]" 1
246 1 36 LEU MD1 1 58 SER H . . 5.310 4.005 2.726 4.897 . 0 0 "[ . 1 . 2]" 1
247 1 36 LEU MD1 1 58 SER HA . . 4.500 2.573 2.173 4.154 . 0 0 "[ . 1 . 2]" 1
248 1 36 LEU MD1 1 58 SER HB2 . . 4.740 4.126 2.272 4.751 0.011 15 0 "[ . 1 . 2]" 1
249 1 36 LEU MD1 1 58 SER HB3 . . 4.800 3.435 2.053 4.273 . 0 0 "[ . 1 . 2]" 1
250 1 36 LEU N 1 56 SER O . . 3.800 2.914 2.809 3.077 . 0 0 "[ . 1 . 2]" 1
251 1 37 ASP H 1 56 SER H . . 4.590 2.945 2.700 3.171 . 0 0 "[ . 1 . 2]" 1
252 1 37 ASP H 1 56 SER HB3 . . 4.320 3.433 2.290 4.329 0.009 1 0 "[ . 1 . 2]" 1
253 1 37 ASP HA 1 38 ALA H . . 3.130 2.325 2.231 2.483 . 0 0 "[ . 1 . 2]" 1
254 1 37 ASP HB2 1 38 ALA H . . 5.040 3.822 2.497 4.309 . 0 0 "[ . 1 . 2]" 1
255 1 37 ASP HB2 1 38 ALA HA . . 4.670 4.577 4.092 4.793 0.123 17 0 "[ . 1 . 2]" 1
256 1 37 ASP HB2 1 56 SER HB2 . . 4.880 3.901 2.121 4.911 0.031 13 0 "[ . 1 . 2]" 1
257 1 37 ASP HB3 1 38 ALA H . . 5.450 3.192 2.782 4.182 . 0 0 "[ . 1 . 2]" 1
258 1 37 ASP HB3 1 56 SER HB3 . . 4.840 4.196 2.658 4.869 0.029 18 0 "[ . 1 . 2]" 1
259 1 37 ASP O 1 56 SER H . . 2.800 1.989 1.841 2.406 . 0 0 "[ . 1 . 2]" 1
260 1 37 ASP O 1 56 SER N . . 3.800 2.937 2.832 3.261 . 0 0 "[ . 1 . 2]" 1
261 1 38 ALA HA 1 55 VAL HA . . 3.950 2.386 2.205 2.807 . 0 0 "[ . 1 . 2]" 1
262 1 38 ALA HA 1 56 SER H . . 5.170 3.718 3.394 4.441 . 0 0 "[ . 1 . 2]" 1
263 1 39 LYS H 1 54 PHE O . . 2.800 1.885 1.796 1.974 . 0 0 "[ . 1 . 2]" 1
264 1 39 LYS HA 1 39 LYS HD3 . . 4.810 3.038 2.466 3.469 . 0 0 "[ . 1 . 2]" 1
265 1 39 LYS HA 1 40 ILE H . . 3.360 2.178 2.084 2.239 . 0 0 "[ . 1 . 2]" 1
266 1 39 LYS HB2 1 39 LYS HD3 . . 3.980 2.651 2.398 3.433 . 0 0 "[ . 1 . 2]" 1
267 1 39 LYS HB2 1 40 ILE H . . 4.580 4.091 3.939 4.254 . 0 0 "[ . 1 . 2]" 1
268 1 39 LYS HG3 1 41 ILE H . . 4.080 4.090 3.947 4.121 0.041 9 0 "[ . 1 . 2]" 1
269 1 39 LYS HG3 1 41 ILE MG . . 3.760 3.614 3.412 3.677 . 0 0 "[ . 1 . 2]" 1
270 1 39 LYS N 1 54 PHE O . . 3.800 2.877 2.811 2.979 . 0 0 "[ . 1 . 2]" 1
271 1 39 LYS O 1 54 PHE H . . 2.800 2.651 2.321 2.845 0.045 1 0 "[ . 1 . 2]" 1
272 1 39 LYS O 1 54 PHE N . . 3.800 3.496 3.234 3.673 . 0 0 "[ . 1 . 2]" 1
273 1 40 ILE H 1 40 ILE HB . . 3.780 3.131 2.702 3.399 . 0 0 "[ . 1 . 2]" 1
274 1 40 ILE HA 1 41 ILE H . . 3.550 2.234 2.147 2.299 . 0 0 "[ . 1 . 2]" 1
275 1 40 ILE HB 1 41 ILE H . . 5.400 4.204 3.981 4.453 . 0 0 "[ . 1 . 2]" 1
276 1 41 ILE H 1 41 ILE HB . . 4.020 3.229 3.090 3.394 . 0 0 "[ . 1 . 2]" 1
277 1 41 ILE H 1 41 ILE MG . . 3.870 2.235 2.108 2.379 . 0 0 "[ . 1 . 2]" 1
278 1 41 ILE H 1 52 PHE O . . 2.800 2.499 2.085 2.814 0.014 7 0 "[ . 1 . 2]" 1
279 1 41 ILE HA 1 42 ASN H . . 3.270 2.033 1.982 2.131 . 0 0 "[ . 1 . 2]" 1
280 1 41 ILE HA 1 50 ARG HB2 . . 4.840 4.800 4.417 4.912 0.072 9 0 "[ . 1 . 2]" 1
281 1 41 ILE MG 1 50 ARG H . . 5.140 3.977 3.770 4.390 . 0 0 "[ . 1 . 2]" 1
282 1 41 ILE MG 1 50 ARG HB3 . . 4.120 2.830 2.378 3.090 . 0 0 "[ . 1 . 2]" 1
283 1 41 ILE MG 1 50 ARG HD2 . . 4.920 4.449 3.806 4.666 . 0 0 "[ . 1 . 2]" 1
284 1 41 ILE MG 1 50 ARG HD3 . . 4.350 3.784 2.328 4.227 . 0 0 "[ . 1 . 2]" 1
285 1 41 ILE MG 1 50 ARG HG2 . . 4.510 3.825 3.066 4.258 . 0 0 "[ . 1 . 2]" 1
286 1 41 ILE N 1 52 PHE O . . 3.800 3.433 3.048 3.762 . 0 0 "[ . 1 . 2]" 1
287 1 41 ILE O 1 50 ARG H . . 2.800 2.441 1.941 2.819 0.019 9 0 "[ . 1 . 2]" 1
288 1 41 ILE O 1 50 ARG N . . 3.800 3.275 2.910 3.538 . 0 0 "[ . 1 . 2]" 1
289 1 41 ILE O 1 51 GLY H . . 2.800 2.854 2.737 2.905 0.105 19 0 "[ . 1 . 2]" 1
290 1 41 ILE O 1 51 GLY N . . 3.800 3.717 3.522 3.823 0.023 18 0 "[ . 1 . 2]" 1
291 1 42 ASN H 1 42 ASN HB2 . . 4.040 3.610 2.832 4.032 . 0 0 "[ . 1 . 2]" 1
292 1 42 ASN HA 1 43 ASP H . . 3.660 2.364 2.205 2.563 . 0 0 "[ . 1 . 2]" 1
293 1 42 ASN HA 1 49 SER HA . . 4.250 2.562 2.201 3.102 . 0 0 "[ . 1 . 2]" 1
294 1 42 ASN HA 1 50 ARG H . . 4.140 2.453 2.080 2.796 . 0 0 "[ . 1 . 2]" 1
295 1 42 ASN HB3 1 43 ASP H . . 4.500 3.990 3.127 4.539 0.039 13 0 "[ . 1 . 2]" 1
296 1 43 ASP H 1 43 ASP HB2 . . 4.050 2.789 2.307 3.218 . 0 0 "[ . 1 . 2]" 1
297 1 43 ASP H 1 43 ASP HB3 . . 3.910 3.189 2.488 3.824 . 0 0 "[ . 1 . 2]" 1
298 1 43 ASP H 1 48 ARG HD3 . . 4.050 3.971 3.273 4.127 0.077 1 0 "[ . 1 . 2]" 1
299 1 43 ASP H 1 50 ARG HG2 . . 4.610 4.457 3.817 4.667 0.057 6 0 "[ . 1 . 2]" 1
300 1 43 ASP HA 1 44 ARG H . . 4.170 2.187 2.092 2.317 . 0 0 "[ . 1 . 2]" 1
301 1 43 ASP HB2 1 48 ARG H . . 4.510 4.099 3.030 4.610 0.100 17 0 "[ . 1 . 2]" 1
302 1 43 ASP HB3 1 45 GLU HB3 . . 4.570 4.402 3.595 4.644 0.074 11 0 "[ . 1 . 2]" 1
303 1 43 ASP HB3 1 48 ARG HB3 . . 4.800 3.918 2.338 4.810 0.010 4 0 "[ . 1 . 2]" 1
304 1 44 ARG H 1 45 GLU H . . 4.750 2.721 2.336 2.939 . 0 0 "[ . 1 . 2]" 1
305 1 45 GLU H 1 45 GLU HB3 . . 3.430 2.543 2.359 2.883 . 0 0 "[ . 1 . 2]" 1
306 1 45 GLU H 1 46 THR H . . 3.700 2.741 2.429 3.030 . 0 0 "[ . 1 . 2]" 1
307 1 45 GLU HB3 1 46 THR H . . 4.070 2.563 2.171 3.155 . 0 0 "[ . 1 . 2]" 1
308 1 46 THR H 1 46 THR MG . . 3.820 2.964 2.315 3.838 0.018 8 0 "[ . 1 . 2]" 1
309 1 46 THR HA 1 47 GLY H . . 4.650 3.300 3.073 3.489 . 0 0 "[ . 1 . 2]" 1
310 1 47 GLY H 1 48 ARG H . . 4.080 2.682 2.353 3.005 . 0 0 "[ . 1 . 2]" 1
311 1 48 ARG H 1 48 ARG HB3 . . 3.530 2.754 2.244 3.341 . 0 0 "[ . 1 . 2]" 1
312 1 48 ARG HA 1 49 SER H . . 3.470 2.262 2.115 2.449 . 0 0 "[ . 1 . 2]" 1
313 1 48 ARG HB2 1 49 SER H . . 4.880 4.094 2.414 4.653 . 0 0 "[ . 1 . 2]" 1
314 1 48 ARG HB3 1 48 ARG HD2 . . 3.840 3.156 2.299 3.874 0.034 6 0 "[ . 1 . 2]" 1
315 1 48 ARG HB3 1 49 SER H . . 4.590 4.376 3.678 4.611 0.021 6 0 "[ . 1 . 2]" 1
316 1 49 SER H 1 49 SER HB2 . . 3.880 3.043 2.388 3.868 . 0 0 "[ . 1 . 2]" 1
317 1 49 SER H 1 49 SER HB3 . . 4.020 3.288 2.520 3.743 . 0 0 "[ . 1 . 2]" 1
318 1 49 SER HA 1 50 ARG H . . 3.470 2.221 2.141 2.330 . 0 0 "[ . 1 . 2]" 1
319 1 50 ARG H 1 50 ARG HB3 . . 4.390 3.647 3.555 3.757 . 0 0 "[ . 1 . 2]" 1
320 1 50 ARG H 1 50 ARG HG2 . . 4.240 2.792 2.122 4.250 0.010 3 0 "[ . 1 . 2]" 1
321 1 50 ARG H 1 51 GLY H . . 4.320 2.378 1.900 2.779 . 0 0 "[ . 1 . 2]" 1
322 1 50 ARG HA 1 50 ARG HD2 . . 4.960 3.740 2.291 4.873 . 0 0 "[ . 1 . 2]" 1
323 1 50 ARG HA 1 50 ARG HG2 . . 4.080 2.913 2.384 3.489 . 0 0 "[ . 1 . 2]" 1
324 1 50 ARG HA 1 51 GLY H . . 4.600 3.502 3.470 3.533 . 0 0 "[ . 1 . 2]" 1
325 1 50 ARG HB3 1 52 PHE H . . 5.440 3.767 3.055 4.311 . 0 0 "[ . 1 . 2]" 1
326 1 51 GLY H 1 52 PHE H . . 4.140 2.622 2.376 2.819 . 0 0 "[ . 1 . 2]" 1
327 1 51 GLY HA2 1 52 PHE H . . 4.550 3.017 2.832 3.119 . 0 0 "[ . 1 . 2]" 1
328 1 51 GLY HA3 1 52 PHE H . . 4.290 3.507 3.446 3.566 . 0 0 "[ . 1 . 2]" 1
329 1 52 PHE HA 1 53 GLY H . . 3.800 2.419 2.357 2.499 . 0 0 "[ . 1 . 2]" 1
330 1 52 PHE HB2 1 53 GLY H . . 4.860 2.588 2.144 3.812 . 0 0 "[ . 1 . 2]" 1
331 1 52 PHE HB3 1 53 GLY H . . 4.260 3.245 2.318 3.661 . 0 0 "[ . 1 . 2]" 1
332 1 53 GLY QA 1 54 PHE H . . 4.420 2.220 2.134 2.282 . 0 0 "[ . 1 . 2]" 1
333 1 55 VAL HA 1 56 SER H . . 3.450 2.237 2.145 2.321 . 0 0 "[ . 1 . 2]" 1
334 1 55 VAL HB 1 56 SER H . . 5.350 4.125 3.964 4.299 . 0 0 "[ . 1 . 2]" 1
335 1 55 VAL MG1 1 56 SER H . . 4.190 3.486 2.424 3.974 . 0 0 "[ . 1 . 2]" 1
336 1 56 SER H 1 56 SER HB3 . . 4.080 3.122 2.647 3.880 . 0 0 "[ . 1 . 2]" 1
337 1 56 SER H 1 57 PHE H . . 5.320 4.442 4.339 4.483 . 0 0 "[ . 1 . 2]" 1
338 1 56 SER HA 1 57 PHE H . . 3.670 2.177 2.108 2.262 . 0 0 "[ . 1 . 2]" 1
339 1 57 PHE HA 1 58 SER H . . 3.940 2.357 2.193 2.659 . 0 0 "[ . 1 . 2]" 1
340 1 57 PHE HB2 1 58 SER H . . 4.200 3.660 2.859 4.036 . 0 0 "[ . 1 . 2]" 1
341 1 57 PHE HB2 1 59 ASN H . . 4.020 3.403 2.928 4.082 0.062 14 0 "[ . 1 . 2]" 1
342 1 57 PHE HB2 1 62 ALA MB . . 4.400 3.971 2.961 4.420 0.020 6 0 "[ . 1 . 2]" 1
343 1 57 PHE HB3 1 58 SER H . . 4.970 2.743 2.169 3.842 . 0 0 "[ . 1 . 2]" 1
344 1 57 PHE HB3 1 59 ASN H . . 4.510 2.644 2.036 4.531 0.021 16 0 "[ . 1 . 2]" 1
345 1 58 SER H 1 58 SER HB3 . . 4.270 3.263 2.520 3.686 . 0 0 "[ . 1 . 2]" 1
346 1 58 SER H 1 59 ASN H . . 4.250 2.548 2.157 3.028 . 0 0 "[ . 1 . 2]" 1
347 1 59 ASN HA 1 60 GLU H . . 3.480 2.245 2.155 2.353 . 0 0 "[ . 1 . 2]" 1
348 1 59 ASN HB2 1 60 GLU H . . 3.810 3.819 3.711 3.846 0.036 16 0 "[ . 1 . 2]" 1
349 1 59 ASN HB2 1 61 GLN H . . 4.950 4.149 3.475 4.638 . 0 0 "[ . 1 . 2]" 1
350 1 59 ASN HB3 1 60 GLU HB2 . . 5.260 4.925 4.403 5.323 0.063 19 0 "[ . 1 . 2]" 1
351 1 59 ASN O 1 63 MET H . . 2.800 2.562 2.037 2.847 0.047 20 0 "[ . 1 . 2]" 1
352 1 59 ASN O 1 63 MET N . . 3.800 3.512 3.009 3.809 0.009 20 0 "[ . 1 . 2]" 1
353 1 60 GLU H 1 60 GLU HB2 . . 3.840 2.516 2.262 3.441 . 0 0 "[ . 1 . 2]" 1
354 1 60 GLU H 1 60 GLU HB3 . . 3.770 2.937 2.342 3.620 . 0 0 "[ . 1 . 2]" 1
355 1 60 GLU H 1 60 GLU QG . . 4.850 3.333 1.872 4.001 . 0 0 "[ . 1 . 2]" 1
356 1 60 GLU H 1 61 GLN H . . 4.390 2.747 2.537 3.084 . 0 0 "[ . 1 . 2]" 1
357 1 60 GLU HB2 1 61 GLN H . . 4.210 3.416 2.481 4.057 . 0 0 "[ . 1 . 2]" 1
358 1 60 GLU O 1 64 GLN H . . 2.800 2.285 1.916 2.853 0.053 10 0 "[ . 1 . 2]" 1
359 1 60 GLU O 1 64 GLN N . . 3.800 3.229 2.890 3.746 . 0 0 "[ . 1 . 2]" 1
360 1 61 GLN H 1 61 GLN HB2 . . 3.520 2.407 2.224 2.589 . 0 0 "[ . 1 . 2]" 1
361 1 61 GLN H 1 61 GLN HB3 . . 3.950 3.194 2.513 3.640 . 0 0 "[ . 1 . 2]" 1
362 1 61 GLN H 1 62 ALA H . . 3.980 2.776 2.595 3.029 . 0 0 "[ . 1 . 2]" 1
363 1 61 GLN HB2 1 62 ALA H . . 4.560 3.240 2.461 4.125 . 0 0 "[ . 1 . 2]" 1
364 1 61 GLN HB3 1 62 ALA H . . 4.310 3.309 2.410 3.923 . 0 0 "[ . 1 . 2]" 1
365 1 61 GLN O 1 65 ASP H . . 2.800 2.051 1.855 2.801 0.001 9 0 "[ . 1 . 2]" 1
366 1 61 GLN O 1 65 ASP N . . 3.800 3.021 2.869 3.683 . 0 0 "[ . 1 . 2]" 1
367 1 62 ALA H 1 62 ALA MB . . 3.430 2.206 2.160 2.241 . 0 0 "[ . 1 . 2]" 1
368 1 62 ALA H 1 63 MET H . . 4.300 2.750 2.512 2.952 . 0 0 "[ . 1 . 2]" 1
369 1 62 ALA HA 1 65 ASP H . . 4.350 3.615 3.170 3.926 . 0 0 "[ . 1 . 2]" 1
370 1 62 ALA HA 1 65 ASP HB3 . . 5.040 3.287 2.210 5.041 0.001 2 0 "[ . 1 . 2]" 1
371 1 62 ALA MB 1 63 MET H . . 4.180 2.560 2.388 2.796 . 0 0 "[ . 1 . 2]" 1
372 1 62 ALA O 1 66 ALA H . . 2.800 2.079 1.916 2.433 . 0 0 "[ . 1 . 2]" 1
373 1 62 ALA O 1 66 ALA N . . 3.800 2.994 2.865 3.305 . 0 0 "[ . 1 . 2]" 1
374 1 63 MET H 1 64 GLN H . . 4.290 2.826 2.645 3.082 . 0 0 "[ . 1 . 2]" 1
375 1 63 MET HA 1 66 ALA H . . 5.070 3.780 3.488 4.149 . 0 0 "[ . 1 . 2]" 1
376 1 63 MET HA 1 66 ALA MB . . 4.490 2.810 2.463 3.280 . 0 0 "[ . 1 . 2]" 1
377 1 63 MET O 1 67 ILE H . . 2.800 2.051 1.794 2.801 0.001 16 0 "[ . 1 . 2]" 1
378 1 63 MET O 1 67 ILE N . . 3.800 3.053 2.800 3.725 . 0 0 "[ . 1 . 2]" 1
379 1 64 GLN H 1 64 GLN HB2 . . 3.860 2.401 2.254 2.594 . 0 0 "[ . 1 . 2]" 1
380 1 64 GLN H 1 64 GLN HB3 . . 3.600 3.602 3.549 3.632 0.032 16 0 "[ . 1 . 2]" 1
381 1 64 GLN H 1 65 ASP H . . 4.560 2.637 2.473 2.762 . 0 0 "[ . 1 . 2]" 1
382 1 64 GLN H 1 66 ALA H . . 3.950 3.981 3.960 3.997 0.047 10 0 "[ . 1 . 2]" 1
383 1 64 GLN HA 1 67 ILE H . . 5.240 3.440 3.098 3.888 . 0 0 "[ . 1 . 2]" 1
384 1 64 GLN HA 1 67 ILE HB . . 4.130 2.609 2.219 3.043 . 0 0 "[ . 1 . 2]" 1
385 1 64 GLN HA 1 67 ILE MG . . 5.020 3.980 3.623 4.321 . 0 0 "[ . 1 . 2]" 1
386 1 64 GLN HB2 1 65 ASP H . . 5.310 2.813 2.527 3.168 . 0 0 "[ . 1 . 2]" 1
387 1 64 GLN HB3 1 65 ASP H . . 3.890 3.661 3.365 3.911 0.021 9 0 "[ . 1 . 2]" 1
388 1 64 GLN HB3 1 68 GLU H . . 4.790 4.818 4.721 4.856 0.066 6 0 "[ . 1 . 2]" 1
389 1 64 GLN O 1 68 GLU H . . 2.800 2.030 1.877 2.424 . 0 0 "[ . 1 . 2]" 1
390 1 64 GLN O 1 68 GLU N . . 3.800 3.024 2.877 3.416 . 0 0 "[ . 1 . 2]" 1
391 1 65 ASP H 1 65 ASP HB2 . . 3.780 2.431 2.300 2.558 . 0 0 "[ . 1 . 2]" 1
392 1 65 ASP H 1 66 ALA H . . 4.300 2.651 2.529 2.902 . 0 0 "[ . 1 . 2]" 1
393 1 65 ASP HB2 1 66 ALA H . . 4.280 3.752 2.757 4.084 . 0 0 "[ . 1 . 2]" 1
394 1 65 ASP HB3 1 66 ALA H . . 4.690 3.074 2.716 3.895 . 0 0 "[ . 1 . 2]" 1
395 1 65 ASP O 1 69 GLY H . . 2.800 2.609 2.242 2.827 0.027 17 0 "[ . 1 . 2]" 1
396 1 65 ASP O 1 69 GLY N . . 3.800 3.372 3.055 3.750 . 0 0 "[ . 1 . 2]" 1
397 1 66 ALA H 1 66 ALA MB . . 3.460 2.233 2.171 2.278 . 0 0 "[ . 1 . 2]" 1
398 1 66 ALA HA 1 69 GLY H . . 3.800 3.519 3.187 3.740 . 0 0 "[ . 1 . 2]" 1
399 1 66 ALA HA 1 70 MET QG . . 5.050 3.354 2.937 3.871 . 0 0 "[ . 1 . 2]" 1
400 1 66 ALA MB 1 67 ILE H . . 4.390 2.338 2.247 2.542 . 0 0 "[ . 1 . 2]" 1
401 1 66 ALA O 1 70 MET H . . 2.800 1.986 1.720 2.494 . 0 0 "[ . 1 . 2]" 1
402 1 66 ALA O 1 70 MET N . . 3.800 2.809 2.707 2.959 . 0 0 "[ . 1 . 2]" 1
403 1 67 ILE H 1 67 ILE HB . . 3.710 2.436 2.286 2.548 . 0 0 "[ . 1 . 2]" 1
404 1 67 ILE H 1 67 ILE MG . . 4.230 3.794 3.731 3.812 . 0 0 "[ . 1 . 2]" 1
405 1 67 ILE H 1 70 MET QG . . 4.060 4.104 4.030 4.124 0.064 15 0 "[ . 1 . 2]" 1
406 1 67 ILE HA 1 67 ILE MD . . 4.510 3.169 2.114 3.890 . 0 0 "[ . 1 . 2]" 1
407 1 67 ILE HA 1 82 VAL HB . . 4.270 3.614 2.844 4.144 . 0 0 "[ . 1 . 2]" 1
408 1 67 ILE HA 1 82 VAL MG1 . . 4.000 3.237 2.846 4.002 0.002 15 0 "[ . 1 . 2]" 1
409 1 67 ILE MD 1 82 VAL MG1 . . 4.540 3.735 2.229 4.547 0.007 1 0 "[ . 1 . 2]" 1
410 1 67 ILE MG 1 82 VAL HB . . 4.250 3.099 2.344 4.144 . 0 0 "[ . 1 . 2]" 1
411 1 67 ILE MG 1 83 ASN HA . . 4.380 3.662 3.063 4.172 . 0 0 "[ . 1 . 2]" 1
412 1 67 ILE MG 1 84 GLU H . . 4.870 4.339 4.076 4.764 . 0 0 "[ . 1 . 2]" 1
413 1 67 ILE MG 1 84 GLU HA . . 5.340 5.285 4.997 5.380 0.040 4 0 "[ . 1 . 2]" 1
414 1 67 ILE O 1 71 ASN H . . 2.800 2.621 1.936 2.886 0.086 13 0 "[ . 1 . 2]" 1
415 1 67 ILE O 1 71 ASN N . . 3.800 3.574 2.906 3.841 0.041 18 0 "[ . 1 . 2]" 1
416 1 68 GLU H 1 69 GLY H . . 4.510 2.815 2.649 2.928 . 0 0 "[ . 1 . 2]" 1
417 1 69 GLY H 1 70 MET H . . 4.450 2.379 2.081 2.618 . 0 0 "[ . 1 . 2]" 1
418 1 69 GLY HA2 1 70 MET H . . 5.330 3.493 3.331 3.618 . 0 0 "[ . 1 . 2]" 1
419 1 69 GLY HA3 1 70 MET H . . 5.170 3.050 2.787 3.380 . 0 0 "[ . 1 . 2]" 1
420 1 70 MET H 1 70 MET QG . . 3.920 2.637 2.285 2.950 . 0 0 "[ . 1 . 2]" 1
421 1 70 MET H 1 71 ASN H . . 2.980 2.696 2.148 2.941 . 0 0 "[ . 1 . 2]" 1
422 1 70 MET HB3 1 73 LYS H . . 4.880 4.833 4.572 4.926 0.046 19 0 "[ . 1 . 2]" 1
423 1 70 MET HB3 1 82 VAL HA . . 4.920 5.042 5.003 5.073 0.153 19 0 "[ . 1 . 2]" 1
424 1 70 MET HB3 1 82 VAL MG1 . . 4.540 1.997 1.957 2.049 . 0 0 "[ . 1 . 2]" 1
425 1 71 ASN H 1 71 ASN HB2 . . 3.640 2.471 2.138 3.619 . 0 0 "[ . 1 . 2]" 1
426 1 71 ASN H 1 71 ASN HB3 . . 3.780 2.612 2.423 2.971 . 0 0 "[ . 1 . 2]" 1
427 1 71 ASN H 1 82 VAL HB . . 5.500 5.469 5.309 5.522 0.022 15 0 "[ . 1 . 2]" 1
428 1 71 ASN HA 1 72 GLY H . . 3.520 2.151 2.077 2.229 . 0 0 "[ . 1 . 2]" 1
429 1 71 ASN HA 1 72 GLY HA3 . . 4.860 4.417 4.343 4.465 . 0 0 "[ . 1 . 2]" 1
430 1 71 ASN HA 1 81 VAL HA . . 4.950 3.502 2.928 3.792 . 0 0 "[ . 1 . 2]" 1
431 1 71 ASN HA 1 81 VAL MG2 . . 4.800 4.757 4.179 4.824 0.024 7 0 "[ . 1 . 2]" 1
432 1 71 ASN HA 1 82 VAL H . . 4.350 3.494 3.087 3.825 . 0 0 "[ . 1 . 2]" 1
433 1 71 ASN HA 1 82 VAL HB . . 5.500 5.334 5.185 5.509 0.009 16 0 "[ . 1 . 2]" 1
434 1 71 ASN HB2 1 82 VAL H . . 5.190 4.578 3.970 5.191 0.001 14 0 "[ . 1 . 2]" 1
435 1 72 GLY H 1 73 LYS H . . 4.740 2.632 2.340 2.787 . 0 0 "[ . 1 . 2]" 1
436 1 72 GLY H 1 80 ILE O . . 2.800 2.369 1.855 2.810 0.010 19 0 "[ . 1 . 2]" 1
437 1 72 GLY H 1 81 VAL HA . . 4.580 3.307 2.974 3.723 . 0 0 "[ . 1 . 2]" 1
438 1 72 GLY H 1 82 VAL MG1 . . 4.650 4.672 4.656 4.686 0.036 11 0 "[ . 1 . 2]" 1
439 1 72 GLY N 1 80 ILE O . . 3.800 3.206 2.790 3.763 . 0 0 "[ . 1 . 2]" 1
440 1 73 LYS HA 1 74 GLU H . . 3.310 2.311 2.110 2.670 . 0 0 "[ . 1 . 2]" 1
441 1 73 LYS HB3 1 75 LEU MD1 . . 3.770 3.217 2.422 3.725 . 0 0 "[ . 1 . 2]" 1
442 1 73 LYS HB3 1 80 ILE H . . 5.500 4.734 4.134 5.355 . 0 0 "[ . 1 . 2]" 1
443 1 73 LYS O 1 80 ILE H . . 2.800 1.978 1.821 2.605 . 0 0 "[ . 1 . 2]" 1
444 1 73 LYS O 1 80 ILE N . . 3.800 2.966 2.827 3.613 . 0 0 "[ . 1 . 2]" 1
445 1 74 GLU H 1 74 GLU QB . . 3.050 2.569 2.225 3.021 . 0 0 "[ . 1 . 2]" 1
446 1 74 GLU H 1 74 GLU QG . . 4.860 2.983 2.026 4.116 . 0 0 "[ . 1 . 2]" 1
447 1 74 GLU HA 1 75 LEU H . . 3.300 2.155 2.082 2.283 . 0 0 "[ . 1 . 2]" 1
448 1 74 GLU HA 1 77 GLY H . . 5.370 4.934 4.528 5.288 . 0 0 "[ . 1 . 2]" 1
449 1 74 GLU HA 1 78 ARG H . . 4.220 4.148 3.751 4.273 0.053 16 0 "[ . 1 . 2]" 1
450 1 74 GLU HA 1 79 SER HA . . 3.700 2.712 2.432 3.106 . 0 0 "[ . 1 . 2]" 1
451 1 74 GLU HA 1 80 ILE H . . 5.500 3.534 2.969 3.835 . 0 0 "[ . 1 . 2]" 1
452 1 75 LEU H 1 75 LEU HB2 . . 3.700 2.741 2.371 3.095 . 0 0 "[ . 1 . 2]" 1
453 1 75 LEU H 1 78 ARG H . . 4.250 2.975 2.625 3.242 . 0 0 "[ . 1 . 2]" 1
454 1 75 LEU H 1 79 SER HA . . 4.210 3.749 3.369 4.086 . 0 0 "[ . 1 . 2]" 1
455 1 75 LEU HA 1 75 LEU MD1 . . 4.240 2.371 2.084 3.214 . 0 0 "[ . 1 . 2]" 1
456 1 75 LEU HA 1 76 ASP H . . 3.730 2.180 2.071 2.293 . 0 0 "[ . 1 . 2]" 1
457 1 75 LEU HB2 1 77 GLY H . . 5.500 5.463 5.161 5.535 0.035 12 0 "[ . 1 . 2]" 1
458 1 75 LEU MD1 1 76 ASP H . . 4.560 3.768 2.842 4.297 . 0 0 "[ . 1 . 2]" 1
459 1 76 ASP H 1 77 GLY H . . 4.930 2.800 2.544 3.025 . 0 0 "[ . 1 . 2]" 1
460 1 76 ASP HA 1 77 GLY H . . 3.670 2.907 2.723 3.063 . 0 0 "[ . 1 . 2]" 1
461 1 77 GLY H 1 78 ARG H . . 4.400 2.674 2.505 2.816 . 0 0 "[ . 1 . 2]" 1
462 1 77 GLY HA2 1 78 ARG H . . 4.750 3.256 3.114 3.414 . 0 0 "[ . 1 . 2]" 1
463 1 77 GLY HA3 1 78 ARG H . . 4.980 3.411 3.243 3.517 . 0 0 "[ . 1 . 2]" 1
464 1 78 ARG H 1 78 ARG HB2 . . 4.260 2.560 2.348 3.017 . 0 0 "[ . 1 . 2]" 1
465 1 78 ARG H 1 78 ARG HB3 . . 3.930 3.706 3.599 3.808 . 0 0 "[ . 1 . 2]" 1
466 1 78 ARG H 1 78 ARG HG3 . . 4.080 3.925 3.592 4.156 0.076 7 0 "[ . 1 . 2]" 1
467 1 78 ARG HA 1 78 ARG QD . . 4.070 2.398 2.059 2.895 . 0 0 "[ . 1 . 2]" 1
468 1 78 ARG HA 1 78 ARG HG2 . . 3.890 3.123 2.625 3.618 . 0 0 "[ . 1 . 2]" 1
469 1 78 ARG HA 1 78 ARG HG3 . . 4.110 3.869 3.774 4.115 0.005 8 0 "[ . 1 . 2]" 1
470 1 78 ARG HB2 1 79 SER H . . 4.280 3.835 2.978 4.296 0.016 13 0 "[ . 1 . 2]" 1
471 1 78 ARG HB3 1 79 SER H . . 4.860 2.857 2.373 3.446 . 0 0 "[ . 1 . 2]" 1
472 1 79 SER HA 1 80 ILE H . . 3.420 2.170 2.111 2.262 . 0 0 "[ . 1 . 2]" 1
473 1 80 ILE HA 1 81 VAL MG2 . . 4.110 3.746 3.451 3.983 . 0 0 "[ . 1 . 2]" 1
474 1 81 VAL H 1 81 VAL HB . . 4.220 2.678 2.372 2.836 . 0 0 "[ . 1 . 2]" 1
475 1 81 VAL H 1 81 VAL MG2 . . 3.860 3.084 2.844 3.227 . 0 0 "[ . 1 . 2]" 1
476 1 81 VAL HA 1 82 VAL H . . 3.390 2.195 2.123 2.253 . 0 0 "[ . 1 . 2]" 1
477 1 81 VAL MG2 1 82 VAL H . . 3.880 3.798 3.448 3.896 0.016 4 0 "[ . 1 . 2]" 1
478 1 82 VAL H 1 82 VAL MG1 . . 3.880 3.209 3.053 3.303 . 0 0 "[ . 1 . 2]" 1
479 1 82 VAL HA 1 83 ASN H . . 3.350 2.229 2.177 2.301 . 0 0 "[ . 1 . 2]" 1
480 1 83 ASN H 1 84 GLU H . . 4.520 4.343 4.283 4.397 . 0 0 "[ . 1 . 2]" 1
481 1 83 ASN HA 1 84 GLU H . . 3.740 2.318 2.195 2.417 . 0 0 "[ . 1 . 2]" 1
482 1 83 ASN HB2 1 84 GLU H . . 4.510 2.602 2.304 2.781 . 0 0 "[ . 1 . 2]" 1
483 1 83 ASN HB2 1 84 GLU HG3 . . 3.400 3.425 3.344 3.489 0.089 8 0 "[ . 1 . 2]" 1
484 1 83 ASN HB3 1 84 GLU H . . 3.870 3.809 3.636 3.877 0.007 9 0 "[ . 1 . 2]" 1
485 1 84 GLU H 1 84 GLU QB . . 3.510 2.496 2.344 2.845 . 0 0 "[ . 1 . 2]" 1
486 1 84 GLU HA 1 85 ALA H . . 3.480 2.281 2.191 2.367 . 0 0 "[ . 1 . 2]" 1
487 1 84 GLU QB 1 85 ALA H . . 5.030 2.736 2.584 2.965 . 0 0 "[ . 1 . 2]" 1
488 1 85 ALA MB 1 86 GLN H . . 5.140 3.505 2.893 3.720 . 0 0 "[ . 1 . 2]" 1
489 1 86 GLN HA 1 87 SER H . . 4.850 3.547 3.431 3.648 . 0 0 "[ . 1 . 2]" 1
490 1 90 TYR HA 1 91 GLY H . . 5.300 2.646 2.167 3.573 . 0 0 "[ . 1 . 2]" 1
491 1 91 GLY QA 1 92 GLY H . . 4.810 2.511 2.131 2.967 . 0 0 "[ . 1 . 2]" 1
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