NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549613 |
2lxr   |
18692 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lxr
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 874
_Distance_constraint_stats_list.Viol_count 3678
_Distance_constraint_stats_list.Viol_total 2919.293
_Distance_constraint_stats_list.Viol_max 1.223
_Distance_constraint_stats_list.Viol_rms 0.0393
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0397
_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 0.203 0.194 16 0 "[ . 1 . 2]"
1 2 LYS 0.875 0.100 9 0 "[ . 1 . 2]"
1 3 ARG 2.755 0.194 16 0 "[ . 1 . 2]"
1 4 PHE 4.624 0.197 1 0 "[ . 1 . 2]"
1 5 ASP 1.539 0.166 19 0 "[ . 1 . 2]"
1 6 LEU 3.285 0.264 1 0 "[ . 1 . 2]"
1 7 ARG 4.599 0.262 1 0 "[ . 1 . 2]"
1 8 PRO 0.634 0.111 1 0 "[ . 1 . 2]"
1 9 LEU 2.661 0.560 1 3 "[+ . 1 -. * 2]"
1 10 LYS 4.241 0.560 1 3 "[+ . 1 -. * 2]"
1 11 ALA 2.172 0.467 1 0 "[ . 1 . 2]"
1 12 GLY 1.166 0.161 14 0 "[ . 1 . 2]"
1 13 ILE 0.867 0.067 1 0 "[ . 1 . 2]"
1 14 PHE 2.296 0.115 17 0 "[ . 1 . 2]"
1 15 GLU 4.024 0.175 19 0 "[ . 1 . 2]"
1 16 ARG 1.729 0.134 1 0 "[ . 1 . 2]"
1 17 LEU 1.243 0.049 17 0 "[ . 1 . 2]"
1 18 GLU 3.410 0.197 1 0 "[ . 1 . 2]"
1 19 GLU 2.438 0.134 1 0 "[ . 1 . 2]"
1 20 LEU 2.212 0.074 9 0 "[ . 1 . 2]"
1 21 ILE 0.980 0.061 1 0 "[ . 1 . 2]"
1 22 GLU 2.022 0.225 1 0 "[ . 1 . 2]"
1 23 LYS 1.905 0.074 9 0 "[ . 1 . 2]"
1 24 GLU 0.725 0.066 13 0 "[ . 1 . 2]"
1 25 MET 3.915 0.264 7 0 "[ . 1 . 2]"
1 26 GLN 1.568 0.160 15 0 "[ . 1 . 2]"
1 27 PRO 0.095 0.022 1 0 "[ . 1 . 2]"
1 28 ASN 1.742 0.124 13 0 "[ . 1 . 2]"
1 29 GLU 4.016 0.261 7 0 "[ . 1 . 2]"
1 30 VAL 1.005 0.148 15 0 "[ . 1 . 2]"
1 31 ALA 1.926 0.106 15 0 "[ . 1 . 2]"
1 32 ILE 4.979 0.360 9 0 "[ . 1 . 2]"
1 33 PHE 3.481 0.173 1 0 "[ . 1 . 2]"
1 34 MET 7.011 0.591 1 1 "[+ . 1 . 2]"
1 35 PHE 18.932 1.223 19 4 "[ . - 1 .** +2]"
1 36 GLU 7.985 0.402 16 0 "[ . 1 . 2]"
1 37 VAL 5.982 1.223 19 4 "[ . - 1 .** +2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 1.210 0.313 16 0 "[ . 1 . 2]"
1 40 PHE 9.747 0.480 18 0 "[ . 1 . 2]"
1 41 SER 0.362 0.117 17 0 "[ . 1 . 2]"
1 42 ASN 3.883 0.313 16 0 "[ . 1 . 2]"
1 43 ILE 2.403 0.172 19 0 "[ . 1 . 2]"
1 44 PRO 1.955 0.084 8 0 "[ . 1 . 2]"
1 45 LYS 4.300 0.086 15 0 "[ . 1 . 2]"
1 46 SER 2.292 0.094 15 0 "[ . 1 . 2]"
1 47 ALA 1.476 0.101 15 0 "[ . 1 . 2]"
1 48 GLU 1.489 0.070 12 0 "[ . 1 . 2]"
1 49 PHE 1.561 0.061 15 0 "[ . 1 . 2]"
1 50 ILE 2.104 0.225 1 0 "[ . 1 . 2]"
1 51 GLN 0.412 0.035 14 0 "[ . 1 . 2]"
1 52 SER 1.444 0.072 1 0 "[ . 1 . 2]"
1 53 LYS 0.707 0.050 15 0 "[ . 1 . 2]"
1 54 GLY 0.138 0.059 1 0 "[ . 1 . 2]"
1 55 HIS 2.230 0.101 15 0 "[ . 1 . 2]"
1 56 GLU 0.836 0.091 5 0 "[ . 1 . 2]"
1 57 LEU 2.582 0.288 1 0 "[ . 1 . 2]"
1 58 LEU 2.485 0.234 1 0 "[ . 1 . 2]"
1 59 ASN 6.827 0.641 15 3 "[- * 1 + 2]"
1 60 SER 1.755 0.557 5 1 "[ + 1 . 2]"
1 61 LEU 7.931 0.352 1 0 "[ . 1 . 2]"
1 62 ARG 5.071 0.360 19 0 "[ . 1 . 2]"
1 63 PHE 12.138 0.749 19 6 "[* ** * - +2]"
1 64 ASN 13.624 0.749 19 6 "[* ** * - +2]"
1 65 GLN 8.575 0.768 17 2 "[ . 1 - . + 2]"
1 66 ALA 2.452 0.768 17 2 "[ . 1 - . + 2]"
1 67 ASP 5.715 0.402 16 0 "[ . 1 . 2]"
1 68 TRP 9.593 0.347 9 0 "[ . 1 . 2]"
1 69 THR 8.788 0.591 1 1 "[+ . 1 . 2]"
1 70 ILE 8.829 0.641 15 2 "[- . 1 + 2]"
1 71 VAL 0.929 0.184 1 0 "[ . 1 . 2]"
1 72 VAL 1.260 0.077 9 0 "[ . 1 . 2]"
1 73 ARG 2.385 0.148 15 0 "[ . 1 . 2]"
1 74 LYS 3.431 0.261 7 0 "[ . 1 . 2]"
1 75 LYS 0.289 0.037 1 0 "[ . 1 . 2]"
1 76 ALA 0.018 0.010 10 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 HA 1 3 ARG H . . 3.590 3.453 3.222 3.784 0.194 16 0 "[ . 1 . 2]" 1
2 1 2 LYS HA 1 3 ARG H . . 2.930 2.882 2.697 2.976 0.046 9 0 "[ . 1 . 2]" 1
3 1 2 LYS HA 1 31 ALA HA . . 4.680 4.511 4.240 4.680 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS HB2 1 2 LYS HD2 . . 2.410 2.395 2.326 2.437 0.027 9 0 "[ . 1 . 2]" 1
5 1 2 LYS HB2 1 2 LYS HG3 . . 2.420 2.434 2.407 2.501 0.081 16 0 "[ . 1 . 2]" 1
6 1 2 LYS HB2 1 3 ARG HA . . 5.260 4.772 4.708 4.956 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS HB2 1 30 VAL H . . 4.680 4.501 4.178 4.692 0.012 8 0 "[ . 1 . 2]" 1
8 1 2 LYS HB2 1 31 ALA HA . . 3.520 3.465 3.200 3.549 0.029 19 0 "[ . 1 . 2]" 1
9 1 2 LYS HB2 1 32 ILE H . . 4.630 4.463 4.135 4.651 0.021 14 0 "[ . 1 . 2]" 1
10 1 2 LYS HB2 1 32 ILE MD . . 5.180 4.796 4.144 5.280 0.100 9 0 "[ . 1 . 2]" 1
11 1 2 LYS HD2 1 30 VAL MG1 . . 3.760 2.692 1.960 3.621 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS HE3 1 32 ILE MD . . 5.210 3.616 2.624 4.718 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS HG3 1 32 ILE MD . . 3.920 3.422 2.809 3.988 0.068 9 0 "[ . 1 . 2]" 1
14 1 3 ARG H 1 3 ARG HA . . 2.920 2.924 2.921 2.925 0.005 6 0 "[ . 1 . 2]" 1
15 1 3 ARG H 1 4 PHE H . . 4.660 4.417 4.394 4.421 . 0 0 "[ . 1 . 2]" 1
16 1 3 ARG H 1 32 ILE H . . 5.190 4.740 4.541 4.843 . 0 0 "[ . 1 . 2]" 1
17 1 3 ARG HA 1 3 ARG HB2 . . 2.500 2.421 2.320 2.478 . 0 0 "[ . 1 . 2]" 1
18 1 3 ARG HA 1 4 PHE H . . 2.400 2.389 2.295 2.411 0.011 9 0 "[ . 1 . 2]" 1
19 1 3 ARG HA 1 31 ALA HA . . 3.360 3.393 3.211 3.466 0.106 15 0 "[ . 1 . 2]" 1
20 1 3 ARG HA 1 32 ILE HA . . 4.750 4.546 4.363 4.631 . 0 0 "[ . 1 . 2]" 1
21 1 3 ARG HB2 1 3 ARG HG2 . . 2.720 2.744 2.447 2.895 0.175 16 0 "[ . 1 . 2]" 1
22 1 3 ARG HB2 1 3 ARG HG3 . . 2.230 2.234 2.208 2.419 0.189 10 0 "[ . 1 . 2]" 1
23 1 3 ARG HB2 1 32 ILE H . . 3.700 3.552 3.362 3.727 0.027 15 0 "[ . 1 . 2]" 1
24 1 3 ARG HB2 1 32 ILE HA . . 5.310 4.709 4.589 4.806 . 0 0 "[ . 1 . 2]" 1
25 1 3 ARG HB2 1 32 ILE HB . . 2.450 2.447 2.202 2.546 0.096 9 0 "[ . 1 . 2]" 1
26 1 3 ARG HB2 1 32 ILE MD . . 5.300 3.828 3.365 4.095 . 0 0 "[ . 1 . 2]" 1
27 1 3 ARG HB2 1 33 PHE HA . . 4.560 4.342 4.270 4.390 . 0 0 "[ . 1 . 2]" 1
28 1 3 ARG HB2 1 33 PHE HD1 . . 5.180 4.688 4.518 4.843 . 0 0 "[ . 1 . 2]" 1
29 1 3 ARG HB2 1 34 MET H . . 5.010 4.667 4.496 4.992 . 0 0 "[ . 1 . 2]" 1
30 1 3 ARG HB3 1 32 ILE MD . . 4.450 2.959 2.290 3.565 . 0 0 "[ . 1 . 2]" 1
31 1 3 ARG HD2 1 32 ILE MD . . 5.370 3.894 2.928 5.354 . 0 0 "[ . 1 . 2]" 1
32 1 4 PHE H 1 4 PHE HB2 . . 2.710 2.700 2.598 2.758 0.048 15 0 "[ . 1 . 2]" 1
33 1 4 PHE H 1 5 ASP HA . . 5.170 4.678 4.614 4.783 . 0 0 "[ . 1 . 2]" 1
34 1 4 PHE H 1 32 ILE H . . 4.260 4.014 3.821 4.188 . 0 0 "[ . 1 . 2]" 1
35 1 4 PHE H 1 32 ILE HA . . 5.370 4.882 4.800 4.931 . 0 0 "[ . 1 . 2]" 1
36 1 4 PHE H 1 33 PHE H . . 4.730 4.501 4.455 4.563 . 0 0 "[ . 1 . 2]" 1
37 1 4 PHE H 1 33 PHE HA . . 2.600 2.612 2.548 2.691 0.091 14 0 "[ . 1 . 2]" 1
38 1 4 PHE H 1 34 MET H . . 3.630 3.691 3.638 3.821 0.191 14 0 "[ . 1 . 2]" 1
39 1 4 PHE HA 1 4 PHE HB2 . . 2.770 2.784 2.766 2.809 0.039 9 0 "[ . 1 . 2]" 1
40 1 4 PHE HA 1 5 ASP H . . 2.140 2.139 2.138 2.147 0.007 15 0 "[ . 1 . 2]" 1
41 1 4 PHE HA 1 5 ASP HB2 . . 4.430 4.170 4.142 4.184 . 0 0 "[ . 1 . 2]" 1
42 1 4 PHE HA 1 21 ILE HG12 . . 5.270 4.660 4.318 4.874 . 0 0 "[ . 1 . 2]" 1
43 1 4 PHE HA 1 33 PHE HA . . 5.170 4.657 4.595 4.741 . 0 0 "[ . 1 . 2]" 1
44 1 4 PHE HB2 1 4 PHE HD1 . . 2.810 2.826 2.780 2.876 0.066 1 0 "[ . 1 . 2]" 1
45 1 4 PHE HB2 1 5 ASP H . . 5.060 4.541 4.482 4.563 . 0 0 "[ . 1 . 2]" 1
46 1 4 PHE HB2 1 6 LEU MD2 . . 4.730 3.360 3.256 3.513 . 0 0 "[ . 1 . 2]" 1
47 1 4 PHE HB2 1 18 GLU HA . . 4.690 4.442 4.174 4.663 . 0 0 "[ . 1 . 2]" 1
48 1 4 PHE HB2 1 18 GLU HG3 . . 3.810 3.824 3.609 4.007 0.197 1 0 "[ . 1 . 2]" 1
49 1 4 PHE HB2 1 21 ILE HB . . 5.390 4.700 4.270 4.937 . 0 0 "[ . 1 . 2]" 1
50 1 4 PHE HB2 1 21 ILE HG12 . . 4.250 3.788 3.151 4.063 . 0 0 "[ . 1 . 2]" 1
51 1 4 PHE HB2 1 31 ALA MB . . 5.170 4.417 4.192 4.739 . 0 0 "[ . 1 . 2]" 1
52 1 4 PHE HB2 1 33 PHE HA . . 3.610 3.608 3.499 3.708 0.098 1 0 "[ . 1 . 2]" 1
53 1 4 PHE HB2 1 33 PHE HB3 . . 4.700 4.398 4.261 4.650 . 0 0 "[ . 1 . 2]" 1
54 1 4 PHE HB2 1 33 PHE HD1 . . 2.010 2.004 1.980 2.059 0.049 1 0 "[ . 1 . 2]" 1
55 1 4 PHE HD1 1 21 ILE HG12 . . 2.620 2.582 2.418 2.643 0.023 14 0 "[ . 1 . 2]" 1
56 1 4 PHE HD2 1 5 ASP H . . 5.370 4.842 4.618 4.999 . 0 0 "[ . 1 . 2]" 1
57 1 4 PHE HD2 1 6 LEU MD2 . . 2.040 1.918 1.885 2.060 0.020 9 0 "[ . 1 . 2]" 1
58 1 4 PHE HD2 1 9 LEU MD1 . . 5.340 4.158 3.929 4.347 . 0 0 "[ . 1 . 2]" 1
59 1 4 PHE HD2 1 17 LEU HB3 . . 3.720 3.602 3.376 3.728 0.008 19 0 "[ . 1 . 2]" 1
60 1 4 PHE HD2 1 18 GLU H . . 5.150 4.589 4.441 4.697 . 0 0 "[ . 1 . 2]" 1
61 1 4 PHE HD2 1 18 GLU HB2 . . 5.200 4.771 4.608 4.919 . 0 0 "[ . 1 . 2]" 1
62 1 4 PHE HD2 1 18 GLU HG3 . . 3.600 3.549 3.239 3.640 0.040 15 0 "[ . 1 . 2]" 1
63 1 4 PHE HD2 1 33 PHE HB3 . . 5.400 4.881 4.619 5.276 . 0 0 "[ . 1 . 2]" 1
64 1 4 PHE HD2 1 33 PHE HD1 . . 4.720 4.481 4.280 4.628 . 0 0 "[ . 1 . 2]" 1
65 1 4 PHE HE2 1 6 LEU MD1 . . 5.260 3.159 2.939 3.360 . 0 0 "[ . 1 . 2]" 1
66 1 4 PHE HE2 1 9 LEU MD1 . . 3.980 3.804 3.431 3.992 0.012 15 0 "[ . 1 . 2]" 1
67 1 4 PHE HE2 1 17 LEU HA . . 4.720 4.333 4.129 4.514 . 0 0 "[ . 1 . 2]" 1
68 1 4 PHE HE2 1 17 LEU HB2 . . 3.720 3.711 3.667 3.762 0.042 1 0 "[ . 1 . 2]" 1
69 1 4 PHE HE2 1 17 LEU HB3 . . 2.040 2.013 1.989 2.071 0.031 14 0 "[ . 1 . 2]" 1
70 1 4 PHE HE2 1 17 LEU MD1 . . 2.530 2.420 2.086 2.539 0.009 14 0 "[ . 1 . 2]" 1
71 1 4 PHE HE2 1 17 LEU HG . . 3.420 3.360 3.143 3.433 0.013 1 0 "[ . 1 . 2]" 1
72 1 4 PHE HE2 1 18 GLU H . . 5.020 4.509 4.398 4.594 . 0 0 "[ . 1 . 2]" 1
73 1 4 PHE HE2 1 18 GLU HA . . 3.840 3.831 3.710 3.903 0.063 9 0 "[ . 1 . 2]" 1
74 1 4 PHE HE2 1 20 LEU HB2 . . 5.450 4.733 4.309 4.991 . 0 0 "[ . 1 . 2]" 1
75 1 4 PHE HE2 1 21 ILE H . . 5.420 4.827 4.351 4.985 . 0 0 "[ . 1 . 2]" 1
76 1 5 ASP H 1 5 ASP HB2 . . 2.180 2.186 2.126 2.239 0.059 15 0 "[ . 1 . 2]" 1
77 1 5 ASP H 1 34 MET H . . 5.360 4.839 4.700 5.017 . 0 0 "[ . 1 . 2]" 1
78 1 5 ASP HA 1 5 ASP HB2 . . 2.850 2.861 2.835 2.882 0.032 14 0 "[ . 1 . 2]" 1
79 1 5 ASP HA 1 6 LEU H . . 2.180 2.203 2.157 2.273 0.093 14 0 "[ . 1 . 2]" 1
80 1 5 ASP HA 1 34 MET H . . 2.990 2.933 2.806 3.098 0.108 14 0 "[ . 1 . 2]" 1
81 1 5 ASP HA 1 34 MET HA . . 5.470 4.923 4.678 5.227 . 0 0 "[ . 1 . 2]" 1
82 1 5 ASP HA 1 34 MET HB2 . . 3.130 2.748 2.133 3.296 0.166 19 0 "[ . 1 . 2]" 1
83 1 5 ASP HA 1 34 MET ME . . 5.420 4.274 3.652 5.117 . 0 0 "[ . 1 . 2]" 1
84 1 5 ASP HB2 1 6 LEU H . . 5.140 4.648 4.614 4.663 . 0 0 "[ . 1 . 2]" 1
85 1 5 ASP HB2 1 7 ARG H . . 5.370 4.844 4.743 5.007 . 0 0 "[ . 1 . 2]" 1
86 1 5 ASP HB2 1 8 PRO HD2 . . 5.280 4.759 4.344 4.948 . 0 0 "[ . 1 . 2]" 1
87 1 6 LEU H 1 7 ARG HA . . 5.090 4.637 4.481 4.838 . 0 0 "[ . 1 . 2]" 1
88 1 6 LEU H 1 9 LEU MD1 . . 5.340 4.470 4.322 4.634 . 0 0 "[ . 1 . 2]" 1
89 1 6 LEU H 1 33 PHE HA . . 5.050 4.427 3.938 4.798 . 0 0 "[ . 1 . 2]" 1
90 1 6 LEU H 1 34 MET H . . 3.290 3.174 2.744 3.336 0.046 16 0 "[ . 1 . 2]" 1
91 1 6 LEU HA 1 9 LEU H . . 3.170 3.151 3.079 3.217 0.047 17 0 "[ . 1 . 2]" 1
92 1 6 LEU HA 1 9 LEU HB2 . . 2.060 2.043 1.913 2.078 0.018 5 0 "[ . 1 . 2]" 1
93 1 6 LEU HA 1 9 LEU MD1 . . 2.060 2.043 1.947 2.113 0.053 14 0 "[ . 1 . 2]" 1
94 1 6 LEU HA 1 14 PHE HA . . 5.370 4.805 4.381 4.950 . 0 0 "[ . 1 . 2]" 1
95 1 6 LEU HA 1 14 PHE HB2 . . 3.940 3.859 3.511 4.017 0.077 19 0 "[ . 1 . 2]" 1
96 1 6 LEU HB2 1 7 ARG H . . 3.670 3.673 3.477 3.752 0.082 15 0 "[ . 1 . 2]" 1
97 1 6 LEU HB2 1 14 PHE HB2 . . 3.340 3.346 3.269 3.422 0.082 14 0 "[ . 1 . 2]" 1
98 1 6 LEU HB2 1 34 MET HB3 . . 5.150 4.898 4.532 5.414 0.264 1 0 "[ . 1 . 2]" 1
99 1 6 LEU HB3 1 35 PHE QB . . 5.460 4.178 3.384 4.534 . 0 0 "[ . 1 . 2]" 1
100 1 6 LEU MD1 1 6 LEU HG . . 2.260 2.102 2.087 2.121 . 0 0 "[ . 1 . 2]" 1
101 1 6 LEU MD1 1 9 LEU HB2 . . 3.480 2.233 2.172 2.307 . 0 0 "[ . 1 . 2]" 1
102 1 6 LEU MD1 1 9 LEU MD1 . . 3.330 1.883 1.808 2.282 . 0 0 "[ . 1 . 2]" 1
103 1 6 LEU MD1 1 14 PHE HA . . 2.150 2.072 1.884 2.153 0.003 15 0 "[ . 1 . 2]" 1
104 1 6 LEU MD1 1 14 PHE HB2 . . 2.790 2.197 1.933 2.405 . 0 0 "[ . 1 . 2]" 1
105 1 6 LEU MD1 1 17 LEU H . . 5.130 4.178 3.616 4.362 . 0 0 "[ . 1 . 2]" 1
106 1 6 LEU MD1 1 17 LEU HB2 . . 3.650 3.246 2.614 3.435 . 0 0 "[ . 1 . 2]" 1
107 1 6 LEU MD1 1 17 LEU HB3 . . 3.320 2.994 2.660 3.231 . 0 0 "[ . 1 . 2]" 1
108 1 6 LEU MD1 1 18 GLU HB2 . . 5.090 4.333 3.759 4.600 . 0 0 "[ . 1 . 2]" 1
109 1 6 LEU MD2 1 33 PHE HB2 . . 5.080 4.006 3.475 4.328 . 0 0 "[ . 1 . 2]" 1
110 1 6 LEU HG 1 14 PHE HB2 . . 2.160 2.182 2.108 2.275 0.115 17 0 "[ . 1 . 2]" 1
111 1 6 LEU HG 1 18 GLU HB2 . . 4.620 4.349 3.853 4.661 0.041 13 0 "[ . 1 . 2]" 1
112 1 7 ARG H 1 9 LEU H . . 3.810 3.809 3.791 3.831 0.021 15 0 "[ . 1 . 2]" 1
113 1 7 ARG H 1 9 LEU HB2 . . 4.680 4.434 4.386 4.474 . 0 0 "[ . 1 . 2]" 1
114 1 7 ARG H 1 34 MET HB2 . . 5.450 4.462 2.965 5.117 . 0 0 "[ . 1 . 2]" 1
115 1 7 ARG HA 1 35 PHE HA . . 3.570 3.379 2.758 3.655 0.085 15 0 "[ . 1 . 2]" 1
116 1 7 ARG HA 1 36 GLU H . . 2.640 2.598 2.256 2.857 0.217 1 0 "[ . 1 . 2]" 1
117 1 7 ARG HA 1 36 GLU HA . . 5.230 4.681 4.381 4.950 . 0 0 "[ . 1 . 2]" 1
118 1 7 ARG HA 1 37 VAL H . . 4.680 4.393 3.856 4.748 0.068 1 0 "[ . 1 . 2]" 1
119 1 7 ARG HA 1 67 ASP HB2 . . 5.040 4.432 3.809 4.915 . 0 0 "[ . 1 . 2]" 1
120 1 7 ARG HB2 1 7 ARG HD3 . . 2.160 2.157 1.973 2.352 0.192 1 0 "[ . 1 . 2]" 1
121 1 7 ARG HB2 1 8 PRO HD2 . . 2.640 2.631 2.460 2.751 0.111 1 0 "[ . 1 . 2]" 1
122 1 7 ARG HB2 1 9 LEU H . . 5.240 4.739 4.620 4.812 . 0 0 "[ . 1 . 2]" 1
123 1 7 ARG HB2 1 34 MET HB3 . . 3.750 3.791 3.674 4.012 0.262 1 0 "[ . 1 . 2]" 1
124 1 7 ARG HD3 1 34 MET HB2 . . 5.320 4.623 3.629 5.302 . 0 0 "[ . 1 . 2]" 1
125 1 7 ARG HG2 1 36 GLU HB2 . . 3.370 3.326 3.123 3.467 0.097 16 0 "[ . 1 . 2]" 1
126 1 7 ARG HG2 1 67 ASP HB2 . . 3.430 3.254 2.783 3.472 0.042 12 0 "[ . 1 . 2]" 1
127 1 7 ARG HG3 1 67 ASP HB2 . . 2.630 2.571 2.314 2.850 0.220 14 0 "[ . 1 . 2]" 1
128 1 8 PRO HA 1 9 LEU H . . 3.390 3.394 3.359 3.431 0.041 15 0 "[ . 1 . 2]" 1
129 1 8 PRO HD2 1 9 LEU MD1 . . 4.680 3.727 3.384 4.074 . 0 0 "[ . 1 . 2]" 1
130 1 9 LEU H 1 9 LEU MD1 . . 3.660 3.094 2.791 3.377 . 0 0 "[ . 1 . 2]" 1
131 1 9 LEU HA 1 10 LYS H . . 2.500 2.382 2.140 3.060 0.560 1 3 "[+ . 1 -. * 2]" 1
132 1 9 LEU HB2 1 9 LEU MD1 . . 3.360 1.948 1.927 1.970 . 0 0 "[ . 1 . 2]" 1
133 1 9 LEU HB2 1 9 LEU MD2 . . 3.280 2.864 2.783 2.911 . 0 0 "[ . 1 . 2]" 1
134 1 9 LEU HB2 1 14 PHE HA . . 4.670 4.241 3.791 4.439 . 0 0 "[ . 1 . 2]" 1
135 1 9 LEU HB3 1 9 LEU MD1 . . 3.200 2.997 2.948 3.029 . 0 0 "[ . 1 . 2]" 1
136 1 9 LEU HB3 1 14 PHE HB2 . . 3.060 3.001 2.708 3.131 0.071 16 0 "[ . 1 . 2]" 1
137 1 9 LEU MD1 1 17 LEU HB2 . . 4.620 4.240 3.566 4.607 . 0 0 "[ . 1 . 2]" 1
138 1 9 LEU MD2 1 14 PHE HB2 . . 3.340 3.150 2.946 3.454 0.114 1 0 "[ . 1 . 2]" 1
139 1 9 LEU MD2 1 17 LEU HB2 . . 3.290 2.793 1.914 3.062 . 0 0 "[ . 1 . 2]" 1
140 1 10 LYS H 1 11 ALA H . . 5.030 4.600 4.549 4.651 . 0 0 "[ . 1 . 2]" 1
141 1 10 LYS HA 1 10 LYS HB2 . . 2.390 2.379 2.373 2.389 . 0 0 "[ . 1 . 2]" 1
142 1 10 LYS HA 1 11 ALA H . . 2.360 2.447 2.365 2.827 0.467 1 0 "[ . 1 . 2]" 1
143 1 10 LYS HA 1 11 ALA MB . . 4.740 4.053 4.013 4.102 . 0 0 "[ . 1 . 2]" 1
144 1 10 LYS HB2 1 10 LYS HD3 . . 2.390 2.372 2.225 2.403 0.013 10 0 "[ . 1 . 2]" 1
145 1 10 LYS HB2 1 10 LYS HG3 . . 2.410 2.436 2.410 2.507 0.097 17 0 "[ . 1 . 2]" 1
146 1 10 LYS HD2 1 13 ILE MD . . 3.690 2.445 2.051 2.945 . 0 0 "[ . 1 . 2]" 1
147 1 10 LYS HD2 1 13 ILE HG12 . . 4.610 4.548 4.249 4.627 0.017 10 0 "[ . 1 . 2]" 1
148 1 10 LYS HE3 1 13 ILE MD . . 3.330 2.807 2.175 3.317 . 0 0 "[ . 1 . 2]" 1
149 1 10 LYS HG2 1 13 ILE MD . . 4.480 2.978 2.336 3.585 . 0 0 "[ . 1 . 2]" 1
150 1 10 LYS HG2 1 13 ILE HG12 . . 5.440 5.150 4.920 5.503 0.063 17 0 "[ . 1 . 2]" 1
151 1 10 LYS HG3 1 13 ILE MD . . 5.180 3.392 2.802 3.947 . 0 0 "[ . 1 . 2]" 1
152 1 10 LYS HG3 1 13 ILE HG12 . . 5.160 4.840 4.677 5.081 . 0 0 "[ . 1 . 2]" 1
153 1 11 ALA H 1 11 ALA MB . . 2.450 2.178 2.043 2.428 . 0 0 "[ . 1 . 2]" 1
154 1 11 ALA H 1 12 GLY H . . 5.130 4.607 4.518 4.631 . 0 0 "[ . 1 . 2]" 1
155 1 11 ALA HA 1 12 GLY H . . 2.260 2.256 2.224 2.325 0.065 14 0 "[ . 1 . 2]" 1
156 1 11 ALA HA 1 13 ILE H . . 3.860 3.729 3.594 3.823 . 0 0 "[ . 1 . 2]" 1
157 1 11 ALA HA 1 15 GLU H . . 5.200 4.770 4.697 4.846 . 0 0 "[ . 1 . 2]" 1
158 1 11 ALA MB 1 14 PHE HD1 . . 4.380 3.843 3.703 3.959 . 0 0 "[ . 1 . 2]" 1
159 1 11 ALA MB 1 14 PHE HE1 . . 3.320 3.243 3.097 3.410 0.090 14 0 "[ . 1 . 2]" 1
160 1 11 ALA MB 1 37 VAL MG1 . . 3.780 2.135 1.830 2.890 . 0 0 "[ . 1 . 2]" 1
161 1 12 GLY H 1 13 ILE H . . 3.280 3.079 2.981 3.276 . 0 0 "[ . 1 . 2]" 1
162 1 12 GLY H 1 14 PHE H . . 3.370 3.346 3.244 3.381 0.011 15 0 "[ . 1 . 2]" 1
163 1 12 GLY H 1 15 GLU H . . 3.590 3.639 3.598 3.751 0.161 14 0 "[ . 1 . 2]" 1
164 1 13 ILE H 1 14 PHE HA . . 5.370 4.759 4.726 4.793 . 0 0 "[ . 1 . 2]" 1
165 1 13 ILE H 1 14 PHE HD1 . . 3.180 3.010 2.920 3.199 0.019 19 0 "[ . 1 . 2]" 1
166 1 13 ILE H 1 15 GLU H . . 4.260 3.903 3.817 4.089 . 0 0 "[ . 1 . 2]" 1
167 1 13 ILE HA 1 14 PHE HA . . 5.300 4.830 4.774 4.856 . 0 0 "[ . 1 . 2]" 1
168 1 13 ILE HA 1 14 PHE HD1 . . 5.280 4.621 4.511 4.893 . 0 0 "[ . 1 . 2]" 1
169 1 13 ILE HA 1 16 ARG H . . 3.140 3.088 3.018 3.190 0.050 14 0 "[ . 1 . 2]" 1
170 1 13 ILE HA 1 16 ARG HB2 . . 2.400 2.410 2.352 2.467 0.067 1 0 "[ . 1 . 2]" 1
171 1 13 ILE MD 1 13 ILE HG12 . . 2.500 2.099 2.071 2.118 . 0 0 "[ . 1 . 2]" 1
172 1 13 ILE HG12 1 16 ARG HB2 . . 5.060 4.601 4.505 4.808 . 0 0 "[ . 1 . 2]" 1
173 1 13 ILE HG12 1 16 ARG HD3 . . 3.970 3.906 3.724 3.978 0.008 1 0 "[ . 1 . 2]" 1
174 1 14 PHE H 1 14 PHE HA . . 2.830 2.801 2.785 2.841 0.011 19 0 "[ . 1 . 2]" 1
175 1 14 PHE H 1 16 ARG H . . 4.270 4.032 3.873 4.118 . 0 0 "[ . 1 . 2]" 1
176 1 14 PHE HA 1 14 PHE HD1 . . 4.270 3.966 3.913 4.086 . 0 0 "[ . 1 . 2]" 1
177 1 14 PHE HA 1 15 GLU H . . 3.490 3.473 3.443 3.495 0.005 19 0 "[ . 1 . 2]" 1
178 1 14 PHE HA 1 15 GLU HA . . 5.190 4.686 4.661 4.704 . 0 0 "[ . 1 . 2]" 1
179 1 14 PHE HA 1 17 LEU HB2 . . 3.250 3.098 2.786 3.265 0.015 13 0 "[ . 1 . 2]" 1
180 1 14 PHE HD1 1 15 GLU HA . . 5.270 4.706 4.599 4.801 . 0 0 "[ . 1 . 2]" 1
181 1 14 PHE HD1 1 15 GLU HB2 . . 3.980 3.914 3.773 3.987 0.007 8 0 "[ . 1 . 2]" 1
182 1 14 PHE HD1 1 15 GLU HB3 . . 3.980 3.939 3.818 4.022 0.042 17 0 "[ . 1 . 2]" 1
183 1 14 PHE HD2 1 35 PHE QB . . 3.840 3.205 2.761 3.379 . 0 0 "[ . 1 . 2]" 1
184 1 14 PHE HE1 1 15 GLU HB2 . . 3.300 3.253 3.128 3.310 0.010 8 0 "[ . 1 . 2]" 1
185 1 14 PHE HE1 1 15 GLU HB3 . . 3.800 3.783 3.665 3.838 0.038 1 0 "[ . 1 . 2]" 1
186 1 14 PHE HE1 1 42 ASN HB3 . . 3.250 3.118 2.840 3.338 0.088 19 0 "[ . 1 . 2]" 1
187 1 15 GLU H 1 16 ARG H . . 2.370 2.352 2.278 2.411 0.041 17 0 "[ . 1 . 2]" 1
188 1 15 GLU H 1 16 ARG HB2 . . 4.490 4.195 4.123 4.257 . 0 0 "[ . 1 . 2]" 1
189 1 15 GLU H 1 18 GLU H . . 5.220 4.787 4.670 4.950 . 0 0 "[ . 1 . 2]" 1
190 1 15 GLU HA 1 15 GLU HB2 . . 2.390 2.397 2.378 2.426 0.036 15 0 "[ . 1 . 2]" 1
191 1 15 GLU HA 1 16 ARG HA . . 5.230 4.687 4.630 4.743 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLU HA 1 18 GLU H . . 3.590 3.615 3.516 3.652 0.062 17 0 "[ . 1 . 2]" 1
193 1 15 GLU HA 1 46 SER HB2 . . 4.390 4.010 3.708 4.211 . 0 0 "[ . 1 . 2]" 1
194 1 15 GLU HB2 1 15 GLU HG3 . . 2.210 2.217 2.210 2.227 0.017 14 0 "[ . 1 . 2]" 1
195 1 15 GLU HB2 1 16 ARG H . . 4.350 4.170 4.095 4.254 . 0 0 "[ . 1 . 2]" 1
196 1 15 GLU HB2 1 42 ASN HA . . 5.070 4.597 4.294 4.971 . 0 0 "[ . 1 . 2]" 1
197 1 15 GLU HB2 1 42 ASN HB3 . . 2.510 2.539 2.345 2.685 0.175 19 0 "[ . 1 . 2]" 1
198 1 15 GLU HB2 1 45 LYS HB3 . . 5.340 4.455 4.106 4.899 . 0 0 "[ . 1 . 2]" 1
199 1 15 GLU HB2 1 46 SER HB3 . . 4.340 4.324 4.135 4.394 0.054 1 0 "[ . 1 . 2]" 1
200 1 15 GLU HB3 1 16 ARG HB2 . . 5.120 4.601 4.548 4.686 . 0 0 "[ . 1 . 2]" 1
201 1 15 GLU HG2 1 49 PHE HB2 . . 5.180 4.721 4.458 4.992 . 0 0 "[ . 1 . 2]" 1
202 1 15 GLU HG2 1 49 PHE HD2 . . 5.210 4.406 4.194 4.845 . 0 0 "[ . 1 . 2]" 1
203 1 15 GLU HG3 1 46 SER HB2 . . 4.740 4.746 4.602 4.834 0.094 15 0 "[ . 1 . 2]" 1
204 1 16 ARG H 1 17 LEU H . . 2.540 2.388 2.194 2.558 0.018 13 0 "[ . 1 . 2]" 1
205 1 16 ARG H 1 18 GLU H . . 3.770 3.751 3.671 3.788 0.018 4 0 "[ . 1 . 2]" 1
206 1 16 ARG HA 1 16 ARG HB2 . . 2.960 2.944 2.907 2.964 0.004 1 0 "[ . 1 . 2]" 1
207 1 16 ARG HA 1 17 LEU H . . 3.550 3.522 3.467 3.557 0.007 13 0 "[ . 1 . 2]" 1
208 1 16 ARG HA 1 19 GLU H . . 3.830 3.873 3.844 3.964 0.134 1 0 "[ . 1 . 2]" 1
209 1 16 ARG HA 1 19 GLU HB2 . . 5.010 4.503 4.396 4.659 . 0 0 "[ . 1 . 2]" 1
210 1 16 ARG HB2 1 16 ARG HD2 . . 3.390 3.077 2.822 3.325 . 0 0 "[ . 1 . 2]" 1
211 1 16 ARG HB2 1 16 ARG HG2 . . 2.950 2.932 2.882 2.951 0.001 6 0 "[ . 1 . 2]" 1
212 1 16 ARG HB2 1 17 LEU HA . . 5.290 4.870 4.790 5.028 . 0 0 "[ . 1 . 2]" 1
213 1 16 ARG HB2 1 18 GLU H . . 5.420 5.050 4.899 5.231 . 0 0 "[ . 1 . 2]" 1
214 1 17 LEU H 1 17 LEU HB2 . . 2.050 2.063 2.043 2.093 0.043 1 0 "[ . 1 . 2]" 1
215 1 17 LEU H 1 18 GLU HB2 . . 4.660 4.315 4.159 4.427 . 0 0 "[ . 1 . 2]" 1
216 1 17 LEU H 1 19 GLU H . . 4.550 4.232 4.109 4.418 . 0 0 "[ . 1 . 2]" 1
217 1 17 LEU HA 1 18 GLU H . . 3.460 3.466 3.437 3.485 0.025 14 0 "[ . 1 . 2]" 1
218 1 17 LEU HA 1 19 GLU H . . 3.780 3.740 3.673 3.799 0.019 13 0 "[ . 1 . 2]" 1
219 1 17 LEU HA 1 20 LEU H . . 3.030 3.044 3.000 3.079 0.049 17 0 "[ . 1 . 2]" 1
220 1 17 LEU HB2 1 17 LEU MD1 . . 3.530 3.186 3.177 3.193 . 0 0 "[ . 1 . 2]" 1
221 1 17 LEU HB2 1 17 LEU MD2 . . 3.130 2.264 2.201 2.392 . 0 0 "[ . 1 . 2]" 1
222 1 17 LEU HB2 1 18 GLU H . . 3.430 3.392 3.234 3.444 0.014 13 0 "[ . 1 . 2]" 1
223 1 17 LEU HB3 1 17 LEU MD1 . . 3.460 2.313 2.254 2.402 . 0 0 "[ . 1 . 2]" 1
224 1 17 LEU HB3 1 18 GLU HB2 . . 5.370 4.904 4.808 5.063 . 0 0 "[ . 1 . 2]" 1
225 1 17 LEU HB3 1 20 LEU HB2 . . 4.460 4.214 3.972 4.334 . 0 0 "[ . 1 . 2]" 1
226 1 17 LEU MD1 1 17 LEU MD2 . . 2.040 2.007 1.934 2.047 0.007 14 0 "[ . 1 . 2]" 1
227 1 17 LEU MD1 1 20 LEU H . . 4.500 3.641 3.572 3.726 . 0 0 "[ . 1 . 2]" 1
228 1 17 LEU MD1 1 20 LEU HB2 . . 2.830 2.166 2.032 2.309 . 0 0 "[ . 1 . 2]" 1
229 1 17 LEU MD1 1 20 LEU MD1 . . 4.460 2.309 1.987 2.716 . 0 0 "[ . 1 . 2]" 1
230 1 17 LEU MD1 1 20 LEU MD2 . . 2.250 2.117 1.895 2.253 0.003 1 0 "[ . 1 . 2]" 1
231 1 17 LEU MD1 1 20 LEU HG . . 4.410 3.960 3.621 4.158 . 0 0 "[ . 1 . 2]" 1
232 1 17 LEU MD2 1 20 LEU HB2 . . 4.500 3.624 3.421 4.072 . 0 0 "[ . 1 . 2]" 1
233 1 17 LEU MD2 1 20 LEU MD1 . . 3.260 2.399 1.987 3.033 . 0 0 "[ . 1 . 2]" 1
234 1 18 GLU H 1 18 GLU HB2 . . 2.100 2.085 2.064 2.107 0.007 2 0 "[ . 1 . 2]" 1
235 1 18 GLU H 1 20 LEU HB2 . . 5.390 4.956 4.800 5.101 . 0 0 "[ . 1 . 2]" 1
236 1 18 GLU HA 1 20 LEU H . . 4.400 4.194 4.087 4.304 . 0 0 "[ . 1 . 2]" 1
237 1 18 GLU HA 1 21 ILE H . . 3.810 3.759 3.573 3.858 0.048 13 0 "[ . 1 . 2]" 1
238 1 18 GLU HA 1 22 GLU H . . 4.660 4.464 4.229 4.640 . 0 0 "[ . 1 . 2]" 1
239 1 18 GLU HB2 1 19 GLU H . . 3.580 3.545 3.449 3.620 0.040 9 0 "[ . 1 . 2]" 1
240 1 18 GLU HB2 1 46 SER HB2 . . 3.860 3.439 2.798 3.704 . 0 0 "[ . 1 . 2]" 1
241 1 18 GLU HB2 1 46 SER HB3 . . 3.080 2.640 2.110 2.984 . 0 0 "[ . 1 . 2]" 1
242 1 18 GLU HB3 1 19 GLU HB2 . . 4.530 4.350 4.250 4.483 . 0 0 "[ . 1 . 2]" 1
243 1 18 GLU HB3 1 22 GLU HB2 . . 5.190 4.913 4.544 5.289 0.099 1 0 "[ . 1 . 2]" 1
244 1 18 GLU HB3 1 33 PHE HD2 . . 5.450 4.933 4.736 5.026 . 0 0 "[ . 1 . 2]" 1
245 1 18 GLU HB3 1 33 PHE HE2 . . 5.030 4.489 4.240 4.656 . 0 0 "[ . 1 . 2]" 1
246 1 18 GLU HG2 1 33 PHE HB2 . . 4.580 4.308 4.183 4.454 . 0 0 "[ . 1 . 2]" 1
247 1 18 GLU HG2 1 33 PHE HD2 . . 2.860 2.852 2.717 2.921 0.061 1 0 "[ . 1 . 2]" 1
248 1 18 GLU HG3 1 33 PHE HB2 . . 5.100 4.573 4.369 4.784 . 0 0 "[ . 1 . 2]" 1
249 1 18 GLU HG3 1 33 PHE HD2 . . 3.880 3.881 3.703 3.949 0.069 1 0 "[ . 1 . 2]" 1
250 1 18 GLU HG3 1 46 SER HB2 . . 5.290 4.509 4.095 4.728 . 0 0 "[ . 1 . 2]" 1
251 1 19 GLU H 1 19 GLU HB2 . . 2.800 2.803 2.734 2.857 0.057 14 0 "[ . 1 . 2]" 1
252 1 19 GLU H 1 20 LEU H . . 2.370 2.383 2.333 2.417 0.047 1 0 "[ . 1 . 2]" 1
253 1 19 GLU H 1 20 LEU HA . . 5.480 5.001 4.935 5.050 . 0 0 "[ . 1 . 2]" 1
254 1 19 GLU H 1 20 LEU HB2 . . 4.370 4.143 4.081 4.191 . 0 0 "[ . 1 . 2]" 1
255 1 19 GLU H 1 21 ILE H . . 4.460 4.109 4.005 4.196 . 0 0 "[ . 1 . 2]" 1
256 1 19 GLU H 1 22 GLU HB2 . . 5.220 4.708 4.618 4.838 . 0 0 "[ . 1 . 2]" 1
257 1 19 GLU HA 1 19 GLU HB2 . . 2.390 2.389 2.365 2.411 0.021 6 0 "[ . 1 . 2]" 1
258 1 19 GLU HA 1 21 ILE H . . 4.400 4.025 3.870 4.104 . 0 0 "[ . 1 . 2]" 1
259 1 19 GLU HA 1 22 GLU HB2 . . 2.400 2.218 1.988 2.405 0.005 5 0 "[ . 1 . 2]" 1
260 1 19 GLU HA 1 23 LYS H . . 4.570 4.388 4.149 4.596 0.026 14 0 "[ . 1 . 2]" 1
261 1 19 GLU HB2 1 19 GLU HG2 . . 2.730 2.751 2.723 2.774 0.044 12 0 "[ . 1 . 2]" 1
262 1 19 GLU HB2 1 19 GLU HG3 . . 2.220 2.218 2.212 2.227 0.007 7 0 "[ . 1 . 2]" 1
263 1 19 GLU HB2 1 46 SER HB3 . . 5.410 4.703 4.326 4.945 . 0 0 "[ . 1 . 2]" 1
264 1 19 GLU HB2 1 49 PHE HB2 . . 4.420 3.602 3.164 4.062 . 0 0 "[ . 1 . 2]" 1
265 1 19 GLU HB2 1 49 PHE HD1 . . 4.690 4.407 4.136 4.697 0.007 14 0 "[ . 1 . 2]" 1
266 1 19 GLU HB2 1 50 ILE H . . 5.370 4.754 4.487 5.010 . 0 0 "[ . 1 . 2]" 1
267 1 19 GLU HB2 1 50 ILE MD . . 5.040 2.913 2.607 3.224 . 0 0 "[ . 1 . 2]" 1
268 1 19 GLU HB2 1 50 ILE HG12 . . 3.840 3.818 3.541 3.867 0.027 14 0 "[ . 1 . 2]" 1
269 1 19 GLU HG2 1 22 GLU HB2 . . 4.570 3.877 3.214 4.424 . 0 0 "[ . 1 . 2]" 1
270 1 19 GLU HG2 1 23 LYS HB2 . . 5.260 4.823 4.333 5.267 0.007 17 0 "[ . 1 . 2]" 1
271 1 19 GLU HG2 1 50 ILE HG12 . . 4.480 4.131 3.813 4.446 . 0 0 "[ . 1 . 2]" 1
272 1 19 GLU HG3 1 49 PHE HB2 . . 5.380 4.396 3.816 4.889 . 0 0 "[ . 1 . 2]" 1
273 1 19 GLU HG3 1 50 ILE MD . . 3.600 2.202 2.067 2.554 . 0 0 "[ . 1 . 2]" 1
274 1 19 GLU HG3 1 50 ILE HG12 . . 3.970 3.869 3.569 3.993 0.023 9 0 "[ . 1 . 2]" 1
275 1 20 LEU H 1 20 LEU HB2 . . 2.040 2.051 2.043 2.068 0.028 17 0 "[ . 1 . 2]" 1
276 1 20 LEU H 1 20 LEU MD1 . . 4.340 2.883 2.622 3.085 . 0 0 "[ . 1 . 2]" 1
277 1 20 LEU H 1 22 GLU HB2 . . 5.470 4.858 4.646 5.096 . 0 0 "[ . 1 . 2]" 1
278 1 20 LEU HA 1 20 LEU HB2 . . 2.840 2.869 2.850 2.893 0.053 18 0 "[ . 1 . 2]" 1
279 1 20 LEU HA 1 20 LEU MD1 . . 4.460 2.988 2.877 3.099 . 0 0 "[ . 1 . 2]" 1
280 1 20 LEU HA 1 21 ILE HA . . 5.160 4.652 4.624 4.665 . 0 0 "[ . 1 . 2]" 1
281 1 20 LEU HA 1 23 LYS H . . 4.360 4.087 3.980 4.152 . 0 0 "[ . 1 . 2]" 1
282 1 20 LEU HA 1 23 LYS HB2 . . 3.610 3.610 3.353 3.684 0.074 9 0 "[ . 1 . 2]" 1
283 1 20 LEU HB2 1 20 LEU MD2 . . 3.150 2.743 2.691 2.841 . 0 0 "[ . 1 . 2]" 1
284 1 20 LEU HB2 1 20 LEU HG . . 2.940 2.936 2.906 2.947 0.007 14 0 "[ . 1 . 2]" 1
285 1 20 LEU HB2 1 21 ILE H . . 3.190 3.206 3.194 3.221 0.031 18 0 "[ . 1 . 2]" 1
286 1 20 LEU HB2 1 21 ILE HB . . 5.490 4.932 4.844 4.989 . 0 0 "[ . 1 . 2]" 1
287 1 20 LEU MD1 1 20 LEU MD2 . . 2.190 2.059 1.978 2.091 . 0 0 "[ . 1 . 2]" 1
288 1 21 ILE H 1 21 ILE HA . . 2.900 2.906 2.900 2.921 0.021 15 0 "[ . 1 . 2]" 1
289 1 21 ILE H 1 21 ILE HG12 . . 5.220 4.735 4.726 4.766 . 0 0 "[ . 1 . 2]" 1
290 1 21 ILE H 1 22 GLU HA . . 5.450 4.920 4.872 4.953 . 0 0 "[ . 1 . 2]" 1
291 1 21 ILE H 1 22 GLU HB2 . . 4.490 4.121 4.044 4.176 . 0 0 "[ . 1 . 2]" 1
292 1 21 ILE H 1 23 LYS H . . 3.960 3.948 3.813 4.021 0.061 1 0 "[ . 1 . 2]" 1
293 1 21 ILE HA 1 21 ILE MD . . 2.760 2.125 2.032 2.224 . 0 0 "[ . 1 . 2]" 1
294 1 21 ILE HA 1 22 GLU HA . . 5.360 4.852 4.818 4.864 . 0 0 "[ . 1 . 2]" 1
295 1 21 ILE HA 1 23 LYS HB2 . . 4.690 4.501 4.416 4.695 0.005 7 0 "[ . 1 . 2]" 1
296 1 21 ILE HA 1 24 GLU H . . 3.380 3.339 3.278 3.380 . 4 0 "[ . 1 . 2]" 1
297 1 21 ILE HA 1 24 GLU HB2 . . 3.450 3.256 3.050 3.420 . 0 0 "[ . 1 . 2]" 1
298 1 21 ILE HA 1 25 MET H . . 5.140 4.661 4.398 5.125 . 0 0 "[ . 1 . 2]" 1
299 1 21 ILE HB 1 21 ILE MD . . 3.570 2.330 2.263 2.403 . 0 0 "[ . 1 . 2]" 1
300 1 21 ILE HB 1 21 ILE HG12 . . 2.510 2.478 2.450 2.519 0.009 17 0 "[ . 1 . 2]" 1
301 1 21 ILE MD 1 21 ILE HG12 . . 2.210 2.085 2.072 2.113 . 0 0 "[ . 1 . 2]" 1
302 1 21 ILE MD 1 21 ILE HG13 . . 2.220 2.088 2.074 2.117 . 0 0 "[ . 1 . 2]" 1
303 1 21 ILE MD 1 24 GLU H . . 4.360 3.684 3.441 3.897 . 0 0 "[ . 1 . 2]" 1
304 1 21 ILE MD 1 24 GLU HB2 . . 3.090 2.740 2.474 3.006 . 0 0 "[ . 1 . 2]" 1
305 1 21 ILE MD 1 24 GLU HB3 . . 2.810 2.666 2.475 2.805 . 0 0 "[ . 1 . 2]" 1
306 1 21 ILE MD 1 24 GLU HG3 . . 4.480 3.936 3.655 4.240 . 0 0 "[ . 1 . 2]" 1
307 1 21 ILE HG12 1 25 MET HG2 . . 4.480 4.176 3.856 4.491 0.011 9 0 "[ . 1 . 2]" 1
308 1 21 ILE HG12 1 25 MET HG3 . . 5.340 4.678 4.081 5.119 . 0 0 "[ . 1 . 2]" 1
309 1 21 ILE HG13 1 24 GLU HB2 . . 4.690 4.417 4.162 4.693 0.003 7 0 "[ . 1 . 2]" 1
310 1 22 GLU H 1 22 GLU HB2 . . 2.180 2.126 2.063 2.229 0.049 13 0 "[ . 1 . 2]" 1
311 1 22 GLU H 1 23 LYS H . . 2.700 2.698 2.637 2.721 0.021 13 0 "[ . 1 . 2]" 1
312 1 22 GLU H 1 23 LYS HB2 . . 5.020 4.530 4.493 4.560 . 0 0 "[ . 1 . 2]" 1
313 1 22 GLU HA 1 23 LYS H . . 3.460 3.468 3.461 3.498 0.038 13 0 "[ . 1 . 2]" 1
314 1 22 GLU HA 1 25 MET H . . 3.290 3.293 3.196 3.338 0.048 13 0 "[ . 1 . 2]" 1
315 1 22 GLU HB2 1 23 LYS H . . 3.780 3.470 2.975 3.769 . 0 0 "[ . 1 . 2]" 1
316 1 22 GLU HB2 1 50 ILE MD . . 4.400 2.616 1.897 3.206 . 0 0 "[ . 1 . 2]" 1
317 1 22 GLU HB2 1 50 ILE HG12 . . 5.010 4.261 3.882 4.499 . 0 0 "[ . 1 . 2]" 1
318 1 22 GLU HB2 1 50 ILE HG13 . . 3.770 3.587 3.048 3.773 0.003 2 0 "[ . 1 . 2]" 1
319 1 22 GLU HB3 1 23 LYS HB2 . . 5.210 4.945 4.692 5.275 0.065 13 0 "[ . 1 . 2]" 1
320 1 22 GLU HG2 1 50 ILE MD . . 3.180 3.175 2.943 3.405 0.225 1 0 "[ . 1 . 2]" 1
321 1 22 GLU HG3 1 31 ALA MB . . 5.170 4.155 3.312 5.197 0.027 1 0 "[ . 1 . 2]" 1
322 1 22 GLU HG3 1 33 PHE HE2 . . 5.280 4.643 3.870 5.307 0.027 3 0 "[ . 1 . 2]" 1
323 1 22 GLU HG3 1 50 ILE MD . . 5.260 3.663 2.333 4.355 . 0 0 "[ . 1 . 2]" 1
324 1 23 LYS H 1 23 LYS HA . . 2.820 2.828 2.814 2.849 0.029 7 0 "[ . 1 . 2]" 1
325 1 23 LYS H 1 25 MET H . . 4.280 3.995 3.795 4.195 . 0 0 "[ . 1 . 2]" 1
326 1 23 LYS H 1 50 ILE MD . . 5.200 3.910 3.494 4.310 . 0 0 "[ . 1 . 2]" 1
327 1 23 LYS HA 1 24 GLU HA . . 5.230 4.708 4.660 4.741 . 0 0 "[ . 1 . 2]" 1
328 1 23 LYS HA 1 50 ILE MD . . 4.610 4.040 3.324 4.615 0.005 18 0 "[ . 1 . 2]" 1
329 1 23 LYS HB2 1 23 LYS HD3 . . 3.860 3.146 2.010 3.831 . 0 0 "[ . 1 . 2]" 1
330 1 23 LYS HB2 1 24 GLU H . . 3.040 3.066 3.037 3.106 0.066 13 0 "[ . 1 . 2]" 1
331 1 23 LYS HB2 1 24 GLU HB2 . . 5.140 4.594 4.485 4.682 . 0 0 "[ . 1 . 2]" 1
332 1 23 LYS HB3 1 24 GLU HB2 . . 4.570 4.461 4.289 4.587 0.017 7 0 "[ . 1 . 2]" 1
333 1 24 GLU H 1 24 GLU HB2 . . 2.170 2.155 2.107 2.182 0.012 7 0 "[ . 1 . 2]" 1
334 1 24 GLU H 1 25 MET H . . 2.530 2.468 2.393 2.530 . 0 0 "[ . 1 . 2]" 1
335 1 24 GLU H 1 25 MET HB2 . . 5.280 4.618 4.349 4.787 . 0 0 "[ . 1 . 2]" 1
336 1 24 GLU HA 1 25 MET H . . 3.520 3.482 3.310 3.545 0.025 17 0 "[ . 1 . 2]" 1
337 1 24 GLU HA 1 25 MET HA . . 5.370 4.813 4.662 4.874 . 0 0 "[ . 1 . 2]" 1
338 1 24 GLU HB2 1 24 GLU HG3 . . 2.220 2.213 2.207 2.220 . 5 0 "[ . 1 . 2]" 1
339 1 25 MET HA 1 25 MET ME . . 3.520 2.658 1.903 3.204 . 0 0 "[ . 1 . 2]" 1
340 1 25 MET HA 1 26 GLN H . . 2.220 2.266 2.224 2.380 0.160 15 0 "[ . 1 . 2]" 1
341 1 25 MET HA 1 26 GLN HB2 . . 4.530 4.289 4.271 4.343 . 0 0 "[ . 1 . 2]" 1
342 1 25 MET HB2 1 25 MET HG2 . . 2.450 2.498 2.431 2.714 0.264 7 0 "[ . 1 . 2]" 1
343 1 25 MET HB2 1 25 MET HG3 . . 2.410 2.372 2.228 2.424 0.014 8 0 "[ . 1 . 2]" 1
344 1 25 MET HB2 1 26 GLN H . . 3.970 3.934 3.758 4.049 0.079 16 0 "[ . 1 . 2]" 1
345 1 25 MET HB2 1 74 LYS HB2 . . 5.040 4.898 4.536 5.261 0.221 7 0 "[ . 1 . 2]" 1
346 1 25 MET HB2 1 74 LYS HD3 . . 4.260 3.969 2.092 4.279 0.019 9 0 "[ . 1 . 2]" 1
347 1 25 MET HB2 1 74 LYS HE3 . . 5.310 4.223 2.440 5.325 0.015 20 0 "[ . 1 . 2]" 1
348 1 25 MET HB3 1 29 GLU HB2 . . 3.480 3.473 3.009 3.568 0.088 9 0 "[ . 1 . 2]" 1
349 1 25 MET HB3 1 74 LYS HB2 . . 4.510 4.402 3.972 4.690 0.180 7 0 "[ . 1 . 2]" 1
350 1 25 MET ME 1 25 MET HG3 . . 3.820 2.659 2.349 3.396 . 0 0 "[ . 1 . 2]" 1
351 1 25 MET ME 1 26 GLN H . . 3.950 2.828 1.900 3.490 . 0 0 "[ . 1 . 2]" 1
352 1 25 MET ME 1 29 GLU HB2 . . 4.280 3.039 2.512 3.780 . 0 0 "[ . 1 . 2]" 1
353 1 25 MET HG3 1 31 ALA MB . . 4.390 2.646 2.305 3.137 . 0 0 "[ . 1 . 2]" 1
354 1 26 GLN H 1 29 GLU H . . 4.530 4.235 4.129 4.357 . 0 0 "[ . 1 . 2]" 1
355 1 26 GLN H 1 29 GLU HB2 . . 2.430 2.380 2.283 2.476 0.046 7 0 "[ . 1 . 2]" 1
356 1 26 GLN HA 1 28 ASN H . . 3.940 3.937 3.900 3.948 0.008 5 0 "[ . 1 . 2]" 1
357 1 26 GLN HA 1 29 GLU HB2 . . 4.300 4.080 4.047 4.198 . 0 0 "[ . 1 . 2]" 1
358 1 26 GLN HB2 1 29 GLU HG3 . . 2.050 2.022 2.000 2.038 . 0 0 "[ . 1 . 2]" 1
359 1 26 GLN HB3 1 28 ASN HB2 . . 4.730 4.483 4.421 4.528 . 0 0 "[ . 1 . 2]" 1
360 1 26 GLN HB3 1 29 GLU HB2 . . 2.750 2.765 2.733 2.909 0.159 7 0 "[ . 1 . 2]" 1
361 1 26 GLN HB3 1 74 LYS HB2 . . 5.480 4.958 4.762 5.200 . 0 0 "[ . 1 . 2]" 1
362 1 26 GLN HG2 1 29 GLU HB2 . . 4.750 4.627 4.433 4.775 0.025 18 0 "[ . 1 . 2]" 1
363 1 26 GLN HG3 1 29 GLU HB2 . . 5.240 4.573 4.177 5.035 . 0 0 "[ . 1 . 2]" 1
364 1 27 PRO HA 1 28 ASN H . . 3.370 3.366 3.349 3.375 0.005 2 0 "[ . 1 . 2]" 1
365 1 27 PRO HA 1 28 ASN HB2 . . 5.500 4.990 4.951 5.020 . 0 0 "[ . 1 . 2]" 1
366 1 27 PRO HD2 1 28 ASN HB2 . . 5.100 4.604 4.550 4.646 . 0 0 "[ . 1 . 2]" 1
367 1 27 PRO HG2 1 28 ASN HB2 . . 3.270 3.269 3.251 3.292 0.022 1 0 "[ . 1 . 2]" 1
368 1 28 ASN H 1 28 ASN HA . . 2.920 2.914 2.906 2.921 0.001 2 0 "[ . 1 . 2]" 1
369 1 28 ASN H 1 28 ASN HB2 . . 2.930 2.934 2.920 2.962 0.032 1 0 "[ . 1 . 2]" 1
370 1 28 ASN H 1 29 GLU H . . 2.280 2.327 2.301 2.404 0.124 13 0 "[ . 1 . 2]" 1
371 1 28 ASN H 1 74 LYS HB2 . . 3.720 3.630 3.361 3.810 0.090 7 0 "[ . 1 . 2]" 1
372 1 28 ASN HA 1 29 GLU HA . . 5.020 4.501 4.484 4.517 . 0 0 "[ . 1 . 2]" 1
373 1 28 ASN HA 1 73 ARG HA . . 5.430 4.974 4.843 5.147 . 0 0 "[ . 1 . 2]" 1
374 1 28 ASN HA 1 73 ARG HB2 . . 4.630 4.479 4.300 4.710 0.080 15 0 "[ . 1 . 2]" 1
375 1 28 ASN HA 1 74 LYS H . . 3.930 3.830 3.562 3.949 0.019 13 0 "[ . 1 . 2]" 1
376 1 28 ASN HA 1 74 LYS HA . . 5.450 4.909 4.653 5.091 . 0 0 "[ . 1 . 2]" 1
377 1 28 ASN HA 1 74 LYS HB2 . . 3.610 3.441 3.097 3.604 . 0 0 "[ . 1 . 2]" 1
378 1 28 ASN HA 1 75 LYS HA . . 3.940 3.838 3.481 3.953 0.013 3 0 "[ . 1 . 2]" 1
379 1 28 ASN HA 1 75 LYS HB2 . . 4.750 4.733 4.466 4.787 0.037 1 0 "[ . 1 . 2]" 1
380 1 28 ASN HB2 1 29 GLU H . . 4.710 4.473 4.460 4.495 . 0 0 "[ . 1 . 2]" 1
381 1 28 ASN HB2 1 75 LYS HA . . 5.310 4.665 4.265 4.814 . 0 0 "[ . 1 . 2]" 1
382 1 28 ASN HB2 1 75 LYS HG2 . . 4.580 4.549 4.258 4.606 0.026 8 0 "[ . 1 . 2]" 1
383 1 29 GLU H 1 29 GLU HB2 . . 2.300 2.331 2.304 2.351 0.051 15 0 "[ . 1 . 2]" 1
384 1 29 GLU H 1 30 VAL H . . 5.020 4.514 4.465 4.525 . 0 0 "[ . 1 . 2]" 1
385 1 29 GLU H 1 73 ARG HA . . 5.130 4.617 4.463 4.822 . 0 0 "[ . 1 . 2]" 1
386 1 29 GLU H 1 74 LYS H . . 3.280 3.232 3.150 3.309 0.029 7 0 "[ . 1 . 2]" 1
387 1 29 GLU H 1 74 LYS HB2 . . 2.390 2.359 2.082 2.478 0.088 13 0 "[ . 1 . 2]" 1
388 1 29 GLU HA 1 29 GLU HB2 . . 2.890 2.901 2.878 2.918 0.028 19 0 "[ . 1 . 2]" 1
389 1 29 GLU HA 1 30 VAL H . . 2.460 2.434 2.386 2.562 0.102 13 0 "[ . 1 . 2]" 1
390 1 29 GLU HA 1 30 VAL HA . . 4.620 4.362 4.355 4.397 . 0 0 "[ . 1 . 2]" 1
391 1 29 GLU HA 1 73 ARG HA . . 5.450 4.994 4.883 5.230 . 0 0 "[ . 1 . 2]" 1
392 1 29 GLU HA 1 74 LYS H . . 5.360 4.852 4.729 4.912 . 0 0 "[ . 1 . 2]" 1
393 1 29 GLU HB2 1 74 LYS H . . 5.430 4.961 4.892 5.071 . 0 0 "[ . 1 . 2]" 1
394 1 29 GLU HB2 1 74 LYS HG3 . . 5.500 5.057 4.425 5.761 0.261 7 0 "[ . 1 . 2]" 1
395 1 30 VAL H 1 30 VAL HA . . 2.940 2.929 2.924 2.943 0.003 13 0 "[ . 1 . 2]" 1
396 1 30 VAL H 1 30 VAL MG1 . . 3.610 2.592 1.915 3.426 . 0 0 "[ . 1 . 2]" 1
397 1 30 VAL H 1 31 ALA H . . 5.030 4.546 4.512 4.561 . 0 0 "[ . 1 . 2]" 1
398 1 30 VAL H 1 73 ARG HA . . 5.240 4.775 4.678 4.951 . 0 0 "[ . 1 . 2]" 1
399 1 30 VAL HA 1 31 ALA H . . 2.220 2.229 2.203 2.261 0.041 11 0 "[ . 1 . 2]" 1
400 1 30 VAL HA 1 31 ALA HA . . 4.670 4.424 4.412 4.439 . 0 0 "[ . 1 . 2]" 1
401 1 30 VAL HA 1 31 ALA MB . . 5.370 3.871 3.821 3.915 . 0 0 "[ . 1 . 2]" 1
402 1 30 VAL HA 1 72 VAL H . . 4.270 3.966 3.798 4.145 . 0 0 "[ . 1 . 2]" 1
403 1 30 VAL HA 1 73 ARG H . . 5.070 4.623 4.527 4.770 . 0 0 "[ . 1 . 2]" 1
404 1 30 VAL HA 1 73 ARG HA . . 2.550 2.581 2.549 2.698 0.148 15 0 "[ . 1 . 2]" 1
405 1 30 VAL HA 1 73 ARG HB2 . . 5.150 4.673 4.505 4.928 . 0 0 "[ . 1 . 2]" 1
406 1 30 VAL HB 1 30 VAL MG1 . . 2.500 2.123 2.115 2.129 . 0 0 "[ . 1 . 2]" 1
407 1 30 VAL HB 1 71 VAL MG1 . . 5.440 4.493 3.646 5.026 . 0 0 "[ . 1 . 2]" 1
408 1 30 VAL MG1 1 32 ILE MD . . 3.810 2.648 2.354 3.391 . 0 0 "[ . 1 . 2]" 1
409 1 30 VAL MG1 1 32 ILE HG13 . . 5.170 3.311 2.600 4.495 . 0 0 "[ . 1 . 2]" 1
410 1 31 ALA H 1 32 ILE HA . . 5.210 4.684 4.603 4.731 . 0 0 "[ . 1 . 2]" 1
411 1 31 ALA H 1 71 VAL MG1 . . 5.360 4.035 2.656 4.585 . 0 0 "[ . 1 . 2]" 1
412 1 31 ALA H 1 72 VAL H . . 2.230 2.159 2.030 2.292 0.062 8 0 "[ . 1 . 2]" 1
413 1 31 ALA H 1 72 VAL HA . . 4.550 4.306 4.216 4.396 . 0 0 "[ . 1 . 2]" 1
414 1 31 ALA H 1 72 VAL MG1 . . 5.480 4.541 4.424 4.710 . 0 0 "[ . 1 . 2]" 1
415 1 31 ALA H 1 73 ARG H . . 5.290 4.800 4.723 4.867 . 0 0 "[ . 1 . 2]" 1
416 1 31 ALA H 1 73 ARG HA . . 3.930 3.933 3.886 3.991 0.061 16 0 "[ . 1 . 2]" 1
417 1 31 ALA H 1 74 LYS H . . 5.370 5.003 4.905 5.163 . 0 0 "[ . 1 . 2]" 1
418 1 31 ALA HA 1 32 ILE H . . 2.140 2.145 2.141 2.151 0.011 9 0 "[ . 1 . 2]" 1
419 1 31 ALA MB 1 32 ILE HA . . 5.270 4.292 4.255 4.341 . 0 0 "[ . 1 . 2]" 1
420 1 31 ALA MB 1 33 PHE HD1 . . 5.190 3.846 3.729 4.169 . 0 0 "[ . 1 . 2]" 1
421 1 31 ALA MB 1 33 PHE HD2 . . 5.110 4.376 4.070 4.518 . 0 0 "[ . 1 . 2]" 1
422 1 31 ALA MB 1 33 PHE HE2 . . 3.370 3.252 2.984 3.379 0.009 16 0 "[ . 1 . 2]" 1
423 1 31 ALA MB 1 71 VAL HA . . 5.300 4.391 4.264 4.680 . 0 0 "[ . 1 . 2]" 1
424 1 31 ALA MB 1 72 VAL H . . 3.220 3.066 2.900 3.278 0.058 15 0 "[ . 1 . 2]" 1
425 1 31 ALA MB 1 72 VAL HB . . 2.470 2.377 2.182 2.496 0.026 7 0 "[ . 1 . 2]" 1
426 1 31 ALA MB 1 72 VAL MG1 . . 5.490 3.703 3.547 3.832 . 0 0 "[ . 1 . 2]" 1
427 1 32 ILE H 1 32 ILE HG12 . . 4.300 4.242 4.058 4.462 0.162 9 0 "[ . 1 . 2]" 1
428 1 32 ILE H 1 33 PHE H . . 4.530 4.298 4.247 4.378 . 0 0 "[ . 1 . 2]" 1
429 1 32 ILE H 1 71 VAL HA . . 4.660 4.358 4.214 4.572 . 0 0 "[ . 1 . 2]" 1
430 1 32 ILE H 1 71 VAL MG1 . . 5.440 4.393 4.001 4.669 . 0 0 "[ . 1 . 2]" 1
431 1 32 ILE H 1 72 VAL H . . 5.180 4.637 4.567 4.713 . 0 0 "[ . 1 . 2]" 1
432 1 32 ILE HA 1 33 PHE H . . 2.160 2.154 2.142 2.167 0.007 13 0 "[ . 1 . 2]" 1
433 1 32 ILE HA 1 33 PHE HA . . 4.660 4.403 4.394 4.410 . 0 0 "[ . 1 . 2]" 1
434 1 32 ILE HA 1 33 PHE HB2 . . 5.240 4.744 4.654 4.791 . 0 0 "[ . 1 . 2]" 1
435 1 32 ILE HA 1 70 ILE H . . 3.700 3.780 3.660 3.873 0.173 9 0 "[ . 1 . 2]" 1
436 1 32 ILE HA 1 70 ILE HA . . 5.400 4.907 4.816 5.106 . 0 0 "[ . 1 . 2]" 1
437 1 32 ILE HA 1 71 VAL H . . 4.710 4.401 4.204 4.642 . 0 0 "[ . 1 . 2]" 1
438 1 32 ILE HA 1 71 VAL HA . . 2.600 2.458 2.235 2.627 0.027 15 0 "[ . 1 . 2]" 1
439 1 32 ILE HA 1 71 VAL MG1 . . 3.860 3.213 2.870 3.687 . 0 0 "[ . 1 . 2]" 1
440 1 32 ILE HA 1 72 VAL H . . 3.790 3.780 3.664 3.867 0.077 9 0 "[ . 1 . 2]" 1
441 1 32 ILE HB 1 71 VAL MG1 . . 5.480 4.346 4.068 4.868 . 0 0 "[ . 1 . 2]" 1
442 1 32 ILE MD 1 32 ILE HG13 . . 2.310 2.091 2.073 2.120 . 0 0 "[ . 1 . 2]" 1
443 1 32 ILE MD 1 71 VAL MG1 . . 3.380 2.792 2.312 3.231 . 0 0 "[ . 1 . 2]" 1
444 1 32 ILE HG12 1 69 THR HB . . 3.670 3.757 3.677 4.030 0.360 9 0 "[ . 1 . 2]" 1
445 1 32 ILE HG12 1 71 VAL HB . . 5.190 4.848 4.259 5.229 0.039 9 0 "[ . 1 . 2]" 1
446 1 32 ILE HG13 1 71 VAL MG1 . . 2.400 2.072 1.895 2.357 . 0 0 "[ . 1 . 2]" 1
447 1 33 PHE H 1 34 MET H . . 4.470 4.235 4.102 4.446 . 0 0 "[ . 1 . 2]" 1
448 1 33 PHE H 1 70 ILE H . . 2.730 2.749 2.674 2.847 0.117 15 0 "[ . 1 . 2]" 1
449 1 33 PHE H 1 70 ILE HA . . 5.180 4.647 4.544 4.781 . 0 0 "[ . 1 . 2]" 1
450 1 33 PHE H 1 71 VAL HA . . 3.930 3.781 3.599 3.934 0.004 12 0 "[ . 1 . 2]" 1
451 1 33 PHE H 1 72 VAL H . . 5.050 4.644 4.492 4.804 . 0 0 "[ . 1 . 2]" 1
452 1 33 PHE HA 1 34 MET HB2 . . 4.580 4.322 4.125 4.753 0.173 1 0 "[ . 1 . 2]" 1
453 1 33 PHE HA 1 70 ILE H . . 5.110 4.579 4.472 4.645 . 0 0 "[ . 1 . 2]" 1
454 1 33 PHE HB2 1 33 PHE HD2 . . 2.340 2.334 2.314 2.348 0.008 3 0 "[ . 1 . 2]" 1
455 1 33 PHE HB2 1 33 PHE HE2 . . 5.120 4.620 4.609 4.626 . 0 0 "[ . 1 . 2]" 1
456 1 33 PHE HB2 1 34 MET H . . 4.610 4.323 4.188 4.409 . 0 0 "[ . 1 . 2]" 1
457 1 33 PHE HB2 1 35 PHE QB . . 5.500 4.900 4.750 5.085 . 0 0 "[ . 1 . 2]" 1
458 1 33 PHE HB2 1 35 PHE HD1 . . 5.130 4.714 4.426 4.937 . 0 0 "[ . 1 . 2]" 1
459 1 33 PHE HB2 1 43 ILE MD . . 3.570 3.040 2.746 3.405 . 0 0 "[ . 1 . 2]" 1
460 1 33 PHE HB2 1 70 ILE H . . 3.750 3.773 3.634 3.873 0.123 15 0 "[ . 1 . 2]" 1
461 1 33 PHE HB2 1 70 ILE HG12 . . 5.390 4.968 4.802 5.273 . 0 0 "[ . 1 . 2]" 1
462 1 33 PHE HD2 1 43 ILE MD . . 4.570 3.649 3.252 3.949 . 0 0 "[ . 1 . 2]" 1
463 1 33 PHE HD2 1 46 SER HB2 . . 4.610 4.405 4.051 4.616 0.006 17 0 "[ . 1 . 2]" 1
464 1 33 PHE HD2 1 47 ALA MB . . 5.150 4.336 3.987 4.583 . 0 0 "[ . 1 . 2]" 1
465 1 33 PHE HD2 1 57 LEU MD1 . . 5.290 4.272 3.800 4.468 . 0 0 "[ . 1 . 2]" 1
466 1 33 PHE HD2 1 70 ILE HG12 . . 5.190 4.805 4.555 5.194 0.004 15 0 "[ . 1 . 2]" 1
467 1 33 PHE HD2 1 70 ILE HG13 . . 4.630 4.388 4.262 4.694 0.064 1 0 "[ . 1 . 2]" 1
468 1 33 PHE HD2 1 72 VAL HB . . 5.130 4.684 4.397 4.869 . 0 0 "[ . 1 . 2]" 1
469 1 33 PHE HE2 1 46 SER HB2 . . 4.580 4.306 3.810 4.614 0.034 17 0 "[ . 1 . 2]" 1
470 1 33 PHE HE2 1 47 ALA HA . . 4.470 4.218 3.978 4.487 0.017 17 0 "[ . 1 . 2]" 1
471 1 33 PHE HE2 1 47 ALA MB . . 3.880 3.454 3.027 3.847 . 0 0 "[ . 1 . 2]" 1
472 1 33 PHE HE2 1 72 VAL HB . . 3.230 3.217 2.985 3.273 0.043 5 0 "[ . 1 . 2]" 1
473 1 34 MET H 1 34 MET ME . . 4.570 4.045 3.528 4.562 . 0 0 "[ . 1 . 2]" 1
474 1 34 MET H 1 35 PHE H . . 5.030 4.531 4.435 4.593 . 0 0 "[ . 1 . 2]" 1
475 1 34 MET H 1 70 ILE H . . 5.210 4.668 4.412 4.954 . 0 0 "[ . 1 . 2]" 1
476 1 34 MET HA 1 34 MET ME . . 4.330 3.558 2.372 4.224 . 0 0 "[ . 1 . 2]" 1
477 1 34 MET HA 1 35 PHE H . . 2.160 2.165 2.146 2.224 0.064 14 0 "[ . 1 . 2]" 1
478 1 34 MET HA 1 35 PHE HA . . 4.650 4.407 4.396 4.443 . 0 0 "[ . 1 . 2]" 1
479 1 34 MET HA 1 35 PHE HD1 . . 3.120 3.104 2.892 3.270 0.150 12 0 "[ . 1 . 2]" 1
480 1 34 MET HA 1 35 PHE HE1 . . 5.260 4.759 4.569 4.871 . 0 0 "[ . 1 . 2]" 1
481 1 34 MET HA 1 68 TRP H . . 5.120 4.820 4.721 5.121 0.001 9 0 "[ . 1 . 2]" 1
482 1 34 MET HA 1 69 THR HA . . 2.330 2.239 2.002 2.458 0.128 15 0 "[ . 1 . 2]" 1
483 1 34 MET HA 1 70 ILE H . . 3.670 3.579 3.319 3.772 0.102 15 0 "[ . 1 . 2]" 1
484 1 34 MET HB2 1 35 PHE H . . 4.660 4.365 4.061 4.497 . 0 0 "[ . 1 . 2]" 1
485 1 34 MET HB2 1 69 THR HA . . 4.430 4.418 3.872 5.021 0.591 1 1 "[+ . 1 . 2]" 1
486 1 34 MET ME 1 69 THR HA . . 5.100 4.170 3.101 4.959 . 0 0 "[ . 1 . 2]" 1
487 1 34 MET ME 1 69 THR HB . . 5.130 4.109 2.878 4.734 . 0 0 "[ . 1 . 2]" 1
488 1 35 PHE H 1 35 PHE HD1 . . 2.120 2.122 1.928 2.236 0.116 12 0 "[ . 1 . 2]" 1
489 1 35 PHE H 1 36 GLU HA . . 5.230 4.759 4.652 4.845 . 0 0 "[ . 1 . 2]" 1
490 1 35 PHE H 1 67 ASP HA . . 4.530 4.270 4.038 4.462 . 0 0 "[ . 1 . 2]" 1
491 1 35 PHE H 1 68 TRP H . . 3.180 3.344 3.242 3.527 0.347 9 0 "[ . 1 . 2]" 1
492 1 35 PHE H 1 68 TRP HA . . 5.460 4.932 4.840 5.037 . 0 0 "[ . 1 . 2]" 1
493 1 35 PHE H 1 69 THR HA . . 3.650 3.563 3.308 3.726 0.076 17 0 "[ . 1 . 2]" 1
494 1 35 PHE HA 1 67 ASP HB2 . . 5.020 4.652 3.946 5.026 0.006 7 0 "[ . 1 . 2]" 1
495 1 35 PHE QB 1 36 GLU H . . 3.350 3.153 2.894 3.246 . 0 0 "[ . 1 . 2]" 1
496 1 35 PHE QB 1 36 GLU HA . . 5.390 4.590 4.416 4.688 . 0 0 "[ . 1 . 2]" 1
497 1 35 PHE QB 1 36 GLU HG3 . . 5.480 4.940 4.741 5.185 . 0 0 "[ . 1 . 2]" 1
498 1 35 PHE QB 1 37 VAL H . . 3.150 3.054 2.811 3.224 0.074 1 0 "[ . 1 . 2]" 1
499 1 35 PHE QB 1 37 VAL HB . . 3.950 4.166 3.815 5.173 1.223 19 4 "[ . - 1 .** +2]" 1
500 1 35 PHE QB 1 43 ILE MD . . 4.370 2.370 2.013 2.822 . 0 0 "[ . 1 . 2]" 1
501 1 35 PHE HD1 1 43 ILE MD . . 2.810 2.588 2.393 2.869 0.059 14 0 "[ . 1 . 2]" 1
502 1 35 PHE HD1 1 43 ILE HG12 . . 5.130 4.561 4.310 4.924 . 0 0 "[ . 1 . 2]" 1
503 1 35 PHE HD1 1 61 LEU HB2 . . 5.150 4.571 4.273 4.887 . 0 0 "[ . 1 . 2]" 1
504 1 35 PHE HD1 1 61 LEU MD1 . . 5.380 4.575 4.073 5.001 . 0 0 "[ . 1 . 2]" 1
505 1 35 PHE HD1 1 68 TRP HB3 . . 4.520 4.247 4.028 4.423 . 0 0 "[ . 1 . 2]" 1
506 1 35 PHE HD1 1 69 THR HA . . 3.600 3.548 3.350 3.685 0.085 15 0 "[ . 1 . 2]" 1
507 1 35 PHE HD1 1 70 ILE H . . 3.950 3.955 3.686 4.111 0.161 15 0 "[ . 1 . 2]" 1
508 1 35 PHE HE1 1 43 ILE MD . . 3.850 3.608 3.051 3.851 0.001 9 0 "[ . 1 . 2]" 1
509 1 35 PHE HE1 1 43 ILE HG12 . . 5.480 5.044 4.648 5.242 . 0 0 "[ . 1 . 2]" 1
510 1 35 PHE HE1 1 43 ILE HG13 . . 3.620 3.560 3.192 3.773 0.153 15 0 "[ . 1 . 2]" 1
511 1 35 PHE HE1 1 61 LEU HA . . 3.630 3.575 2.665 3.803 0.173 19 0 "[ . 1 . 2]" 1
512 1 35 PHE HE1 1 61 LEU HB2 . . 2.420 2.367 2.098 2.549 0.129 8 0 "[ . 1 . 2]" 1
513 1 35 PHE HE1 1 61 LEU HB3 . . 3.260 3.249 2.941 3.348 0.088 15 0 "[ . 1 . 2]" 1
514 1 35 PHE HE1 1 61 LEU MD1 . . 3.490 3.380 3.116 3.602 0.112 1 0 "[ . 1 . 2]" 1
515 1 35 PHE HE1 1 62 ARG H . . 3.870 3.915 3.577 4.230 0.360 19 0 "[ . 1 . 2]" 1
516 1 35 PHE HE1 1 63 PHE QB . . 5.380 4.784 4.365 5.177 . 0 0 "[ . 1 . 2]" 1
517 1 35 PHE HE1 1 68 TRP HB2 . . 3.990 3.999 3.724 4.070 0.080 16 0 "[ . 1 . 2]" 1
518 1 35 PHE HE1 1 68 TRP HB3 . . 2.650 2.604 2.344 2.778 0.128 15 0 "[ . 1 . 2]" 1
519 1 35 PHE HE1 1 68 TRP HD1 . . 4.460 4.115 3.845 4.471 0.011 15 0 "[ . 1 . 2]" 1
520 1 35 PHE HE1 1 69 THR H . . 4.300 4.127 3.875 4.366 0.066 16 0 "[ . 1 . 2]" 1
521 1 35 PHE HE1 1 69 THR HA . . 3.980 3.975 3.727 4.146 0.166 11 0 "[ . 1 . 2]" 1
522 1 35 PHE HE1 1 70 ILE HB . . 3.190 3.170 2.849 3.380 0.190 19 0 "[ . 1 . 2]" 1
523 1 36 GLU H 1 36 GLU HB2 . . 3.680 3.741 3.670 3.896 0.216 16 0 "[ . 1 . 2]" 1
524 1 36 GLU H 1 37 VAL H . . 2.130 2.077 1.898 2.241 0.111 8 0 "[ . 1 . 2]" 1
525 1 36 GLU H 1 67 ASP HA . . 4.680 4.426 4.292 4.650 . 0 0 "[ . 1 . 2]" 1
526 1 36 GLU HA 1 67 ASP H . . 3.360 3.548 3.427 3.762 0.402 16 0 "[ . 1 . 2]" 1
527 1 36 GLU HA 1 68 TRP H . . 3.790 3.794 3.641 4.019 0.229 12 0 "[ . 1 . 2]" 1
528 1 36 GLU HB2 1 37 VAL H . . 4.380 4.282 4.136 4.507 0.127 16 0 "[ . 1 . 2]" 1
529 1 36 GLU HB2 1 37 VAL HA . . 5.150 4.857 4.706 5.218 0.068 16 0 "[ . 1 . 2]" 1
530 1 36 GLU HB2 1 67 ASP H . . 3.860 3.728 3.036 3.918 0.058 6 0 "[ . 1 . 2]" 1
531 1 36 GLU HB2 1 67 ASP HB2 . . 3.890 3.535 2.508 3.916 0.026 6 0 "[ . 1 . 2]" 1
532 1 36 GLU HB3 1 67 ASP HB2 . . 2.600 2.423 2.068 2.746 0.146 6 0 "[ . 1 . 2]" 1
533 1 37 VAL HA 1 37 VAL MG1 . . 2.190 2.154 2.061 2.318 0.128 16 0 "[ . 1 . 2]" 1
534 1 37 VAL MG1 1 38 GLY H . . 2.230 1.891 1.805 1.954 . 0 0 "[ . 1 . 2]" 1
535 1 39 ASP HA 1 42 ASN HB2 . . 4.450 4.401 4.112 4.763 0.313 16 0 "[ . 1 . 2]" 1
536 1 39 ASP HB3 1 42 ASN HB2 . . 3.850 2.460 1.997 3.412 . 0 0 "[ . 1 . 2]" 1
537 1 40 PHE H 1 40 PHE HB2 . . 3.640 3.487 3.186 3.651 0.011 13 0 "[ . 1 . 2]" 1
538 1 40 PHE H 1 40 PHE QD . . 2.270 2.398 2.056 2.750 0.480 18 0 "[ . 1 . 2]" 1
539 1 40 PHE H 1 41 SER H . . 2.290 2.266 2.199 2.407 0.117 17 0 "[ . 1 . 2]" 1
540 1 40 PHE H 1 42 ASN H . . 3.890 3.895 3.732 3.973 0.083 14 0 "[ . 1 . 2]" 1
541 1 40 PHE HA 1 42 ASN H . . 3.690 3.671 3.562 3.718 0.028 11 0 "[ . 1 . 2]" 1
542 1 40 PHE HA 1 63 PHE QB . . 4.470 3.617 3.022 3.899 . 0 0 "[ . 1 . 2]" 1
543 1 40 PHE HB2 1 43 ILE H . . 5.490 5.063 4.970 5.167 . 0 0 "[ . 1 . 2]" 1
544 1 40 PHE HB2 1 43 ILE HG12 . . 5.410 5.093 4.709 5.363 . 0 0 "[ . 1 . 2]" 1
545 1 40 PHE HB2 1 43 ILE HG13 . . 5.040 4.809 4.332 5.212 0.172 19 0 "[ . 1 . 2]" 1
546 1 40 PHE HB2 1 61 LEU HB2 . . 5.220 4.905 4.461 5.370 0.150 7 0 "[ . 1 . 2]" 1
547 1 40 PHE HB2 1 61 LEU MD1 . . 2.380 2.043 1.873 2.345 . 0 0 "[ . 1 . 2]" 1
548 1 40 PHE HB2 1 61 LEU HG . . 3.910 3.971 3.495 4.186 0.276 19 0 "[ . 1 . 2]" 1
549 1 40 PHE HB2 1 63 PHE H . . 4.610 4.481 4.067 4.778 0.168 12 0 "[ . 1 . 2]" 1
550 1 40 PHE HB2 1 63 PHE QB . . 3.570 2.512 2.289 2.801 . 0 0 "[ . 1 . 2]" 1
551 1 40 PHE HB2 1 63 PHE QD . . 5.010 3.253 2.723 3.620 . 0 0 "[ . 1 . 2]" 1
552 1 40 PHE QD 1 41 SER H . . 3.620 3.166 2.716 3.377 . 0 0 "[ . 1 . 2]" 1
553 1 40 PHE QD 1 63 PHE QB . . 5.220 3.051 2.209 3.827 . 0 0 "[ . 1 . 2]" 1
554 1 40 PHE QD 1 63 PHE QD . . 3.240 2.937 2.590 3.168 . 0 0 "[ . 1 . 2]" 1
555 1 40 PHE QD 1 63 PHE QE . . 3.460 3.319 2.614 3.720 0.260 16 0 "[ . 1 . 2]" 1
556 1 40 PHE QE 1 41 SER H . . 5.060 4.382 4.032 4.789 . 0 0 "[ . 1 . 2]" 1
557 1 40 PHE QE 1 41 SER HB3 . . 5.080 4.404 3.620 5.107 0.027 19 0 "[ . 1 . 2]" 1
558 1 40 PHE QE 1 63 PHE QD . . 5.240 3.760 2.957 4.467 . 0 0 "[ . 1 . 2]" 1
559 1 40 PHE QE 1 63 PHE QE . . 3.470 3.207 2.954 3.544 0.074 8 0 "[ . 1 . 2]" 1
560 1 41 SER H 1 42 ASN H . . 2.550 2.500 2.400 2.621 0.071 16 0 "[ . 1 . 2]" 1
561 1 41 SER HA 1 41 SER HB2 . . 2.350 2.285 2.259 2.324 . 0 0 "[ . 1 . 2]" 1
562 1 41 SER HB2 1 42 ASN H . . 4.500 4.367 4.289 4.431 . 0 0 "[ . 1 . 2]" 1
563 1 41 SER HB2 1 44 PRO HD2 . . 5.340 4.979 4.786 5.359 0.019 11 0 "[ . 1 . 2]" 1
564 1 42 ASN H 1 42 ASN HB2 . . 2.120 2.150 2.110 2.203 0.083 8 0 "[ . 1 . 2]" 1
565 1 42 ASN H 1 45 LYS H . . 5.410 4.888 4.728 4.988 . 0 0 "[ . 1 . 2]" 1
566 1 42 ASN H 1 45 LYS HB2 . . 5.240 4.778 4.635 4.878 . 0 0 "[ . 1 . 2]" 1
567 1 42 ASN HA 1 43 ILE H . . 3.480 3.461 3.449 3.490 0.010 17 0 "[ . 1 . 2]" 1
568 1 42 ASN HA 1 43 ILE HA . . 5.400 4.907 4.861 4.932 . 0 0 "[ . 1 . 2]" 1
569 1 42 ASN HA 1 45 LYS H . . 3.230 3.166 3.104 3.270 0.040 8 0 "[ . 1 . 2]" 1
570 1 42 ASN HA 1 45 LYS HB2 . . 2.240 2.172 2.088 2.246 0.006 2 0 "[ . 1 . 2]" 1
571 1 42 ASN HB2 1 43 ILE HA . . 5.450 4.894 4.737 5.060 . 0 0 "[ . 1 . 2]" 1
572 1 42 ASN HB3 1 45 LYS HB2 . . 5.190 4.524 4.346 4.743 . 0 0 "[ . 1 . 2]" 1
573 1 43 ILE H 1 43 ILE MD . . 5.490 3.780 3.730 3.838 . 0 0 "[ . 1 . 2]" 1
574 1 43 ILE H 1 45 LYS H . . 3.830 3.870 3.831 3.907 0.077 19 0 "[ . 1 . 2]" 1
575 1 43 ILE H 1 45 LYS HB2 . . 5.270 4.797 4.699 4.891 . 0 0 "[ . 1 . 2]" 1
576 1 43 ILE H 1 46 SER H . . 5.440 5.075 4.969 5.178 . 0 0 "[ . 1 . 2]" 1
577 1 43 ILE HA 1 43 ILE MD . . 3.530 2.067 1.943 2.148 . 0 0 "[ . 1 . 2]" 1
578 1 43 ILE HA 1 43 ILE HG12 . . 2.640 2.646 2.579 2.678 0.038 11 0 "[ . 1 . 2]" 1
579 1 43 ILE HA 1 47 ALA H . . 5.300 5.166 4.883 5.344 0.044 16 0 "[ . 1 . 2]" 1
580 1 43 ILE HB 1 43 ILE HG12 . . 2.480 2.486 2.469 2.536 0.056 19 0 "[ . 1 . 2]" 1
581 1 43 ILE MD 1 43 ILE HG12 . . 2.480 2.082 2.072 2.116 . 0 0 "[ . 1 . 2]" 1
582 1 43 ILE MD 1 57 LEU MD1 . . 5.270 4.639 3.831 5.028 . 0 0 "[ . 1 . 2]" 1
583 1 43 ILE MD 1 61 LEU HB2 . . 5.430 4.415 3.931 4.795 . 0 0 "[ . 1 . 2]" 1
584 1 43 ILE MD 1 61 LEU MD1 . . 5.500 3.491 3.304 3.942 . 0 0 "[ . 1 . 2]" 1
585 1 43 ILE MD 1 70 ILE H . . 5.420 4.294 4.088 4.451 . 0 0 "[ . 1 . 2]" 1
586 1 43 ILE MD 1 70 ILE HG12 . . 5.200 3.779 3.233 3.980 . 0 0 "[ . 1 . 2]" 1
587 1 43 ILE HG12 1 61 LEU MD1 . . 3.870 3.152 2.826 3.894 0.024 1 0 "[ . 1 . 2]" 1
588 1 43 ILE HG13 1 70 ILE HG12 . . 4.730 4.576 3.798 4.757 0.027 16 0 "[ . 1 . 2]" 1
589 1 44 PRO HA 1 45 LYS H . . 3.410 3.454 3.427 3.494 0.084 8 0 "[ . 1 . 2]" 1
590 1 44 PRO HA 1 46 SER H . . 4.290 4.018 3.834 4.147 . 0 0 "[ . 1 . 2]" 1
591 1 44 PRO HA 1 47 ALA H . . 3.760 3.630 3.367 3.769 0.009 10 0 "[ . 1 . 2]" 1
592 1 44 PRO HA 1 48 GLU H . . 4.590 4.520 4.301 4.625 0.035 12 0 "[ . 1 . 2]" 1
593 1 44 PRO HA 1 48 GLU HB2 . . 5.300 5.080 4.727 5.305 0.005 9 0 "[ . 1 . 2]" 1
594 1 44 PRO HA 1 57 LEU MD1 . . 5.120 3.754 3.339 4.184 . 0 0 "[ . 1 . 2]" 1
595 1 44 PRO HB2 1 45 LYS HA . . 4.500 4.188 4.127 4.227 . 0 0 "[ . 1 . 2]" 1
596 1 44 PRO HB2 1 57 LEU MD2 . . 5.120 3.688 3.022 4.287 . 0 0 "[ . 1 . 2]" 1
597 1 44 PRO HG2 1 45 LYS HB2 . . 3.650 3.692 3.660 3.721 0.071 17 0 "[ . 1 . 2]" 1
598 1 45 LYS H 1 45 LYS HA . . 2.900 2.854 2.807 2.883 . 0 0 "[ . 1 . 2]" 1
599 1 45 LYS H 1 45 LYS HB2 . . 2.240 2.219 2.143 2.258 0.018 12 0 "[ . 1 . 2]" 1
600 1 45 LYS H 1 46 SER HA . . 5.450 5.107 5.011 5.236 . 0 0 "[ . 1 . 2]" 1
601 1 45 LYS H 1 48 GLU H . . 5.280 4.875 4.756 4.973 . 0 0 "[ . 1 . 2]" 1
602 1 45 LYS HA 1 46 SER HA . . 5.220 4.763 4.729 4.799 . 0 0 "[ . 1 . 2]" 1
603 1 45 LYS HB2 1 45 LYS HD2 . . 3.030 3.058 3.031 3.116 0.086 15 0 "[ . 1 . 2]" 1
604 1 45 LYS HB2 1 45 LYS HD3 . . 3.780 3.782 3.750 3.809 0.029 1 0 "[ . 1 . 2]" 1
605 1 45 LYS HB2 1 45 LYS HG3 . . 2.210 2.212 2.209 2.214 0.004 14 0 "[ . 1 . 2]" 1
606 1 45 LYS HB2 1 46 SER H . . 3.650 3.681 3.652 3.706 0.056 17 0 "[ . 1 . 2]" 1
607 1 45 LYS HD2 1 49 PHE HD2 . . 5.180 4.779 4.695 4.901 . 0 0 "[ . 1 . 2]" 1
608 1 45 LYS HD3 1 49 PHE HD2 . . 3.240 3.254 3.180 3.301 0.061 15 0 "[ . 1 . 2]" 1
609 1 45 LYS HD3 1 49 PHE HE2 . . 3.840 3.710 3.482 3.846 0.006 14 0 "[ . 1 . 2]" 1
610 1 45 LYS HG2 1 49 PHE HD2 . . 5.140 4.651 4.491 4.753 . 0 0 "[ . 1 . 2]" 1
611 1 46 SER H 1 46 SER HA . . 2.870 2.844 2.819 2.866 . 0 0 "[ . 1 . 2]" 1
612 1 46 SER H 1 48 GLU H . . 3.750 3.773 3.705 3.820 0.070 12 0 "[ . 1 . 2]" 1
613 1 46 SER H 1 49 PHE H . . 5.160 4.822 4.762 4.907 . 0 0 "[ . 1 . 2]" 1
614 1 46 SER HA 1 49 PHE H . . 3.420 3.402 3.301 3.462 0.042 20 0 "[ . 1 . 2]" 1
615 1 46 SER HA 1 49 PHE HD2 . . 3.640 3.393 3.261 3.625 . 0 0 "[ . 1 . 2]" 1
616 1 46 SER HB2 1 47 ALA H . . 2.550 2.425 2.317 2.563 0.013 11 0 "[ . 1 . 2]" 1
617 1 46 SER HB2 1 47 ALA HA . . 3.800 3.803 3.770 3.839 0.039 1 0 "[ . 1 . 2]" 1
618 1 46 SER HB2 1 47 ALA MB . . 4.350 3.733 3.640 3.820 . 0 0 "[ . 1 . 2]" 1
619 1 46 SER HB3 1 49 PHE HB2 . . 5.180 4.594 4.392 4.727 . 0 0 "[ . 1 . 2]" 1
620 1 47 ALA H 1 47 ALA HA . . 2.800 2.790 2.761 2.805 0.005 8 0 "[ . 1 . 2]" 1
621 1 47 ALA HA 1 48 GLU H . . 3.490 3.463 3.445 3.485 . 0 0 "[ . 1 . 2]" 1
622 1 47 ALA HA 1 49 PHE H . . 4.500 4.120 3.997 4.316 . 0 0 "[ . 1 . 2]" 1
623 1 47 ALA HA 1 50 ILE HG12 . . 3.190 3.159 2.954 3.243 0.053 14 0 "[ . 1 . 2]" 1
624 1 47 ALA HA 1 55 HIS HB2 . . 3.950 3.966 3.890 4.051 0.101 15 0 "[ . 1 . 2]" 1
625 1 47 ALA MB 1 48 GLU H . . 2.890 2.883 2.795 2.927 0.037 15 0 "[ . 1 . 2]" 1
626 1 47 ALA MB 1 48 GLU HB2 . . 4.540 4.103 4.032 4.204 . 0 0 "[ . 1 . 2]" 1
627 1 47 ALA MB 1 55 HIS HB2 . . 2.000 1.923 1.866 2.002 0.002 16 0 "[ . 1 . 2]" 1
628 1 47 ALA MB 1 55 HIS HB3 . . 5.130 2.849 2.665 3.025 . 0 0 "[ . 1 . 2]" 1
629 1 47 ALA MB 1 55 HIS HD2 . . 2.000 2.002 1.952 2.037 0.037 20 0 "[ . 1 . 2]" 1
630 1 47 ALA MB 1 57 LEU MD1 . . 3.710 3.104 2.841 3.502 . 0 0 "[ . 1 . 2]" 1
631 1 47 ALA MB 1 57 LEU MD2 . . 3.640 3.094 2.855 3.646 0.006 5 0 "[ . 1 . 2]" 1
632 1 47 ALA MB 1 72 VAL MG1 . . 3.730 2.057 1.811 2.204 . 0 0 "[ . 1 . 2]" 1
633 1 48 GLU H 1 48 GLU HA . . 2.860 2.862 2.850 2.872 0.012 7 0 "[ . 1 . 2]" 1
634 1 48 GLU H 1 48 GLU HB2 . . 2.460 2.467 2.460 2.485 0.025 9 0 "[ . 1 . 2]" 1
635 1 48 GLU H 1 49 PHE HB2 . . 4.560 4.251 4.210 4.313 . 0 0 "[ . 1 . 2]" 1
636 1 48 GLU H 1 50 ILE H . . 4.390 4.132 4.081 4.161 . 0 0 "[ . 1 . 2]" 1
637 1 48 GLU HA 1 48 GLU HB2 . . 2.530 2.534 2.511 2.543 0.013 7 0 "[ . 1 . 2]" 1
638 1 48 GLU HA 1 52 SER HA . . 3.870 3.842 3.455 3.914 0.044 1 0 "[ . 1 . 2]" 1
639 1 48 GLU HA 1 55 HIS HD1 . . 3.550 3.243 2.846 3.428 . 0 0 "[ . 1 . 2]" 1
640 1 48 GLU HB2 1 48 GLU HG3 . . 2.270 2.224 2.207 2.263 . 0 0 "[ . 1 . 2]" 1
641 1 48 GLU HB2 1 55 HIS HE1 . . 3.860 3.740 3.335 3.870 0.010 9 0 "[ . 1 . 2]" 1
642 1 48 GLU HG2 1 52 SER HB2 . . 5.440 4.654 4.145 4.944 . 0 0 "[ . 1 . 2]" 1
643 1 48 GLU HG2 1 55 HIS HE1 . . 3.520 2.867 2.255 3.464 . 0 0 "[ . 1 . 2]" 1
644 1 49 PHE H 1 49 PHE HB2 . . 2.100 2.078 2.068 2.089 . 0 0 "[ . 1 . 2]" 1
645 1 49 PHE H 1 49 PHE HD2 . . 3.800 3.616 3.456 3.746 . 0 0 "[ . 1 . 2]" 1
646 1 49 PHE H 1 50 ILE HG12 . . 4.470 4.041 3.957 4.121 . 0 0 "[ . 1 . 2]" 1
647 1 49 PHE H 1 51 GLN H . . 5.450 4.802 4.310 5.049 . 0 0 "[ . 1 . 2]" 1
648 1 49 PHE HA 1 49 PHE HD2 . . 3.470 3.450 3.377 3.475 0.005 8 0 "[ . 1 . 2]" 1
649 1 49 PHE HA 1 50 ILE H . . 3.480 3.463 3.442 3.495 0.015 9 0 "[ . 1 . 2]" 1
650 1 49 PHE HB2 1 49 PHE HE2 . . 5.120 4.629 4.622 4.646 . 0 0 "[ . 1 . 2]" 1
651 1 49 PHE HB2 1 50 ILE HG12 . . 4.750 4.283 4.205 4.381 . 0 0 "[ . 1 . 2]" 1
652 1 49 PHE HB3 1 49 PHE HD2 . . 3.570 3.598 3.581 3.630 0.060 15 0 "[ . 1 . 2]" 1
653 1 49 PHE HB3 1 50 ILE HG12 . . 3.610 3.621 3.462 3.657 0.047 1 0 "[ . 1 . 2]" 1
654 1 50 ILE H 1 50 ILE MD . . 5.030 3.287 3.183 3.363 . 0 0 "[ . 1 . 2]" 1
655 1 50 ILE H 1 50 ILE HG12 . . 2.150 2.083 1.945 2.162 0.012 18 0 "[ . 1 . 2]" 1
656 1 50 ILE HA 1 50 ILE HG12 . . 3.040 3.053 2.997 3.097 0.057 14 0 "[ . 1 . 2]" 1
657 1 50 ILE HA 1 51 GLN HA . . 5.130 4.630 4.573 4.678 . 0 0 "[ . 1 . 2]" 1
658 1 50 ILE HB 1 55 HIS HB2 . . 5.320 5.164 4.859 5.336 0.016 15 0 "[ . 1 . 2]" 1
659 1 50 ILE MD 1 50 ILE HG12 . . 2.420 2.116 2.103 2.119 . 0 0 "[ . 1 . 2]" 1
660 1 50 ILE MD 1 50 ILE HG13 . . 2.460 2.118 2.108 2.120 . 0 0 "[ . 1 . 2]" 1
661 1 51 GLN H 1 53 LYS H . . 5.500 5.056 4.967 5.388 . 0 0 "[ . 1 . 2]" 1
662 1 51 GLN HA 1 51 GLN HB2 . . 2.750 2.688 2.445 2.784 0.034 16 0 "[ . 1 . 2]" 1
663 1 51 GLN HA 1 52 SER H . . 2.160 2.163 2.139 2.178 0.018 11 0 "[ . 1 . 2]" 1
664 1 51 GLN HA 1 53 LYS H . . 3.850 3.857 3.832 3.885 0.035 14 0 "[ . 1 . 2]" 1
665 1 51 GLN HB3 1 55 HIS HD1 . . 4.260 3.957 3.772 4.280 0.020 1 0 "[ . 1 . 2]" 1
666 1 52 SER HA 1 52 SER HB2 . . 2.500 2.529 2.500 2.572 0.072 1 0 "[ . 1 . 2]" 1
667 1 52 SER HA 1 55 HIS HD1 . . 4.280 4.004 3.504 4.294 0.014 8 0 "[ . 1 . 2]" 1
668 1 52 SER HA 1 55 HIS HE1 . . 2.790 2.712 2.490 2.816 0.026 6 0 "[ . 1 . 2]" 1
669 1 52 SER HB2 1 53 LYS H . . 3.800 3.820 3.801 3.850 0.050 15 0 "[ . 1 . 2]" 1
670 1 53 LYS H 1 55 HIS H . . 5.240 4.824 4.464 4.924 . 0 0 "[ . 1 . 2]" 1
671 1 53 LYS H 1 55 HIS HE1 . . 5.250 4.706 4.389 5.078 . 0 0 "[ . 1 . 2]" 1
672 1 53 LYS HA 1 55 HIS HE1 . . 4.370 4.145 3.718 4.404 0.034 1 0 "[ . 1 . 2]" 1
673 1 53 LYS HB2 1 53 LYS HD3 . . 2.050 2.022 1.999 2.090 0.040 15 0 "[ . 1 . 2]" 1
674 1 54 GLY H 1 55 HIS HD1 . . 3.390 3.246 2.392 3.449 0.059 1 0 "[ . 1 . 2]" 1
675 1 55 HIS H 1 55 HIS HA . . 2.930 2.899 2.853 2.946 0.016 20 0 "[ . 1 . 2]" 1
676 1 55 HIS H 1 55 HIS HE1 . . 4.400 4.145 4.037 4.292 . 0 0 "[ . 1 . 2]" 1
677 1 55 HIS HA 1 55 HIS HB2 . . 2.390 2.419 2.390 2.446 0.056 13 0 "[ . 1 . 2]" 1
678 1 55 HIS HA 1 55 HIS HD1 . . 4.420 4.167 4.121 4.192 . 0 0 "[ . 1 . 2]" 1
679 1 55 HIS HA 1 56 GLU H . . 2.140 2.141 2.140 2.141 0.001 5 0 "[ . 1 . 2]" 1
680 1 55 HIS HA 1 56 GLU HA . . 4.640 4.391 4.390 4.392 . 0 0 "[ . 1 . 2]" 1
681 1 55 HIS HA 1 56 GLU HB2 . . 4.470 4.210 4.188 4.252 . 0 0 "[ . 1 . 2]" 1
682 1 55 HIS HA 1 73 ARG H . . 4.560 4.459 4.291 4.569 0.009 14 0 "[ . 1 . 2]" 1
683 1 55 HIS HA 1 74 LYS HA . . 3.540 3.478 3.230 3.555 0.015 8 0 "[ . 1 . 2]" 1
684 1 55 HIS HB2 1 55 HIS HD1 . . 3.810 3.804 3.796 3.813 0.003 1 0 "[ . 1 . 2]" 1
685 1 55 HIS HB2 1 55 HIS HD2 . . 2.700 2.706 2.691 2.717 0.017 8 0 "[ . 1 . 2]" 1
686 1 55 HIS HB2 1 56 GLU H . . 3.540 3.512 3.495 3.529 . 0 0 "[ . 1 . 2]" 1
687 1 55 HIS HB2 1 56 GLU HA . . 5.190 4.652 4.595 4.728 . 0 0 "[ . 1 . 2]" 1
688 1 55 HIS HB2 1 57 LEU MD1 . . 5.010 4.217 3.856 4.839 . 0 0 "[ . 1 . 2]" 1
689 1 55 HIS HB2 1 57 LEU MD2 . . 4.510 3.815 3.587 4.375 . 0 0 "[ . 1 . 2]" 1
690 1 55 HIS HB2 1 72 VAL MG1 . . 3.290 2.596 2.351 2.892 . 0 0 "[ . 1 . 2]" 1
691 1 55 HIS HB2 1 74 LYS HA . . 5.400 5.187 4.820 5.443 0.043 20 0 "[ . 1 . 2]" 1
692 1 55 HIS HB3 1 55 HIS HD1 . . 2.790 2.762 2.724 2.838 0.048 1 0 "[ . 1 . 2]" 1
693 1 56 GLU H 1 56 GLU HA . . 2.930 2.938 2.916 2.946 0.016 20 0 "[ . 1 . 2]" 1
694 1 56 GLU H 1 56 GLU HB2 . . 2.740 2.712 2.611 2.793 0.053 15 0 "[ . 1 . 2]" 1
695 1 56 GLU H 1 72 VAL HA . . 4.570 4.267 4.099 4.445 . 0 0 "[ . 1 . 2]" 1
696 1 56 GLU H 1 72 VAL MG1 . . 3.480 2.961 2.525 3.224 . 0 0 "[ . 1 . 2]" 1
697 1 56 GLU H 1 73 ARG H . . 3.060 3.056 2.968 3.127 0.067 1 0 "[ . 1 . 2]" 1
698 1 56 GLU H 1 73 ARG HB2 . . 5.370 4.978 4.804 5.131 . 0 0 "[ . 1 . 2]" 1
699 1 56 GLU H 1 75 LYS HB2 . . 5.390 4.975 4.475 5.381 . 0 0 "[ . 1 . 2]" 1
700 1 56 GLU HA 1 56 GLU HB2 . . 2.770 2.769 2.711 2.861 0.091 5 0 "[ . 1 . 2]" 1
701 1 56 GLU HA 1 57 LEU H . . 2.140 2.143 2.139 2.178 0.038 11 0 "[ . 1 . 2]" 1
702 1 56 GLU HA 1 57 LEU HA . . 4.630 4.381 4.356 4.387 . 0 0 "[ . 1 . 2]" 1
703 1 56 GLU HA 1 57 LEU HB2 . . 5.020 4.509 4.466 4.574 . 0 0 "[ . 1 . 2]" 1
704 1 56 GLU HB2 1 56 GLU HG2 . . 2.710 2.710 2.707 2.713 0.003 5 0 "[ . 1 . 2]" 1
705 1 56 GLU HB2 1 56 GLU HG3 . . 2.230 2.231 2.230 2.233 0.003 12 0 "[ . 1 . 2]" 1
706 1 56 GLU HB2 1 57 LEU H . . 5.030 4.511 4.388 4.536 . 0 0 "[ . 1 . 2]" 1
707 1 56 GLU HB2 1 73 ARG HD2 . . 3.240 2.695 2.382 3.191 . 0 0 "[ . 1 . 2]" 1
708 1 56 GLU HB2 1 73 ARG HD3 . . 5.020 3.838 3.272 4.568 . 0 0 "[ . 1 . 2]" 1
709 1 56 GLU HB2 1 73 ARG HG2 . . 4.370 4.169 3.834 4.397 0.027 5 0 "[ . 1 . 2]" 1
710 1 57 LEU H 1 57 LEU HB2 . . 2.400 2.387 2.355 2.435 0.035 5 0 "[ . 1 . 2]" 1
711 1 57 LEU H 1 58 LEU H . . 4.520 4.288 4.226 4.490 . 0 0 "[ . 1 . 2]" 1
712 1 57 LEU H 1 72 VAL HA . . 5.390 4.872 4.748 4.990 . 0 0 "[ . 1 . 2]" 1
713 1 57 LEU HA 1 58 LEU H . . 2.190 2.174 2.141 2.184 . 0 0 "[ . 1 . 2]" 1
714 1 57 LEU HA 1 58 LEU HA . . 4.710 4.448 4.373 4.460 . 0 0 "[ . 1 . 2]" 1
715 1 57 LEU HA 1 58 LEU HB2 . . 4.410 4.159 4.141 4.186 . 0 0 "[ . 1 . 2]" 1
716 1 57 LEU HA 1 70 ILE MD . . 3.330 3.285 2.881 3.495 0.165 15 0 "[ . 1 . 2]" 1
717 1 57 LEU HA 1 70 ILE HG12 . . 5.500 5.021 4.702 5.135 . 0 0 "[ . 1 . 2]" 1
718 1 57 LEU HA 1 71 VAL H . . 5.360 4.931 4.752 5.199 . 0 0 "[ . 1 . 2]" 1
719 1 57 LEU HA 1 72 VAL HA . . 2.760 2.679 2.440 2.767 0.007 7 0 "[ . 1 . 2]" 1
720 1 57 LEU HA 1 72 VAL MG1 . . 5.250 3.720 3.485 3.893 . 0 0 "[ . 1 . 2]" 1
721 1 57 LEU HA 1 73 ARG H . . 3.720 3.707 3.616 3.762 0.042 13 0 "[ . 1 . 2]" 1
722 1 57 LEU HB2 1 57 LEU MD2 . . 2.160 2.123 2.060 2.174 0.014 15 0 "[ . 1 . 2]" 1
723 1 57 LEU HB2 1 58 LEU H . . 4.700 4.441 4.279 4.477 . 0 0 "[ . 1 . 2]" 1
724 1 57 LEU HB2 1 59 ASN H . . 5.300 4.830 4.519 5.588 0.288 1 0 "[ . 1 . 2]" 1
725 1 57 LEU HB2 1 70 ILE MD . . 4.300 3.343 3.140 3.736 . 0 0 "[ . 1 . 2]" 1
726 1 57 LEU HB3 1 70 ILE MD . . 2.320 2.020 1.896 2.189 . 0 0 "[ . 1 . 2]" 1
727 1 57 LEU HB3 1 70 ILE HG12 . . 3.960 3.896 3.377 3.991 0.031 12 0 "[ . 1 . 2]" 1
728 1 57 LEU MD1 1 70 ILE HB . . 5.180 4.256 4.136 4.325 . 0 0 "[ . 1 . 2]" 1
729 1 57 LEU MD1 1 70 ILE MD . . 2.280 2.204 1.993 2.366 0.086 15 0 "[ . 1 . 2]" 1
730 1 57 LEU MD1 1 70 ILE HG12 . . 2.300 2.297 2.111 2.334 0.034 1 0 "[ . 1 . 2]" 1
731 1 57 LEU MD1 1 70 ILE HG13 . . 2.370 2.046 1.875 2.192 . 0 0 "[ . 1 . 2]" 1
732 1 57 LEU MD1 1 72 VAL MG1 . . 5.250 2.135 1.935 2.386 . 0 0 "[ . 1 . 2]" 1
733 1 57 LEU MD2 1 70 ILE HG12 . . 5.040 4.185 4.126 4.281 . 0 0 "[ . 1 . 2]" 1
734 1 57 LEU MD2 1 72 VAL MG1 . . 5.370 3.069 2.620 3.426 . 0 0 "[ . 1 . 2]" 1
735 1 57 LEU HG 1 70 ILE MD . . 3.320 2.354 2.028 3.357 0.037 1 0 "[ . 1 . 2]" 1
736 1 57 LEU HG 1 70 ILE HG12 . . 2.860 2.900 2.782 2.952 0.092 17 0 "[ . 1 . 2]" 1
737 1 58 LEU H 1 58 LEU HB2 . . 2.050 2.061 2.044 2.107 0.057 15 0 "[ . 1 . 2]" 1
738 1 58 LEU H 1 58 LEU MD1 . . 5.210 3.214 2.737 3.630 . 0 0 "[ . 1 . 2]" 1
739 1 58 LEU H 1 59 ASN H . . 2.840 2.871 2.771 3.074 0.234 1 0 "[ . 1 . 2]" 1
740 1 58 LEU H 1 70 ILE MD . . 4.570 4.055 3.249 4.256 . 0 0 "[ . 1 . 2]" 1
741 1 58 LEU H 1 72 VAL HA . . 3.600 3.450 3.052 3.562 . 0 0 "[ . 1 . 2]" 1
742 1 58 LEU H 1 73 ARG H . . 3.760 3.752 3.543 3.842 0.082 5 0 "[ . 1 . 2]" 1
743 1 58 LEU HA 1 58 LEU MD1 . . 4.600 3.457 2.818 3.679 . 0 0 "[ . 1 . 2]" 1
744 1 58 LEU HB2 1 58 LEU MD1 . . 2.010 1.982 1.962 2.009 . 0 0 "[ . 1 . 2]" 1
745 1 58 LEU HB2 1 59 ASN H . . 3.050 3.020 2.568 3.124 0.074 5 0 "[ . 1 . 2]" 1
746 1 58 LEU HB2 1 59 ASN HB2 . . 5.080 4.578 4.432 4.849 . 0 0 "[ . 1 . 2]" 1
747 1 58 LEU HB2 1 71 VAL HB . . 3.530 3.289 2.434 3.714 0.184 1 0 "[ . 1 . 2]" 1
748 1 58 LEU HB2 1 72 VAL HA . . 5.330 4.690 4.271 4.832 . 0 0 "[ . 1 . 2]" 1
749 1 58 LEU HB2 1 73 ARG H . . 5.170 4.705 4.422 4.852 . 0 0 "[ . 1 . 2]" 1
750 1 58 LEU HB2 1 73 ARG HG2 . . 3.860 3.866 3.738 3.930 0.070 5 0 "[ . 1 . 2]" 1
751 1 58 LEU HB3 1 59 ASN HB2 . . 3.340 3.271 3.138 3.347 0.007 11 0 "[ . 1 . 2]" 1
752 1 58 LEU MD1 1 58 LEU HG . . 2.270 2.099 2.081 2.110 . 0 0 "[ . 1 . 2]" 1
753 1 58 LEU MD1 1 73 ARG HB2 . . 4.560 3.762 3.365 4.116 . 0 0 "[ . 1 . 2]" 1
754 1 58 LEU MD1 1 73 ARG HB3 . . 3.280 2.555 2.130 2.906 . 0 0 "[ . 1 . 2]" 1
755 1 58 LEU MD2 1 59 ASN HB2 . . 5.040 4.111 3.366 4.388 . 0 0 "[ . 1 . 2]" 1
756 1 59 ASN H 1 59 ASN HA . . 2.950 2.919 2.698 2.948 . 0 0 "[ . 1 . 2]" 1
757 1 59 ASN H 1 59 ASN HB2 . . 2.800 2.856 2.581 3.237 0.437 1 0 "[ . 1 . 2]" 1
758 1 59 ASN H 1 60 SER H . . 4.540 4.033 2.812 4.407 . 0 0 "[ . 1 . 2]" 1
759 1 59 ASN H 1 60 SER HA . . 5.450 4.847 4.533 5.207 . 0 0 "[ . 1 . 2]" 1
760 1 59 ASN HA 1 59 ASN HB2 . . 2.600 2.665 2.601 2.914 0.314 1 0 "[ . 1 . 2]" 1
761 1 59 ASN HA 1 60 SER H . . 2.140 2.189 2.139 2.697 0.557 5 1 "[ + 1 . 2]" 1
762 1 59 ASN HA 1 60 SER HA . . 4.620 4.438 4.344 4.768 0.148 5 0 "[ . 1 . 2]" 1
763 1 59 ASN HB3 1 70 ILE MD . . 4.540 3.900 3.574 5.181 0.641 15 2 "[- . 1 + 2]" 1
764 1 60 SER HA 1 60 SER HB2 . . 2.260 2.273 2.254 2.357 0.097 1 0 "[ . 1 . 2]" 1
765 1 60 SER HA 1 61 LEU HA . . 4.580 4.404 4.330 4.790 0.210 1 0 "[ . 1 . 2]" 1
766 1 60 SER HA 1 70 ILE MD . . 4.700 3.073 2.463 4.305 . 0 0 "[ . 1 . 2]" 1
767 1 61 LEU H 1 61 LEU HB2 . . 3.590 3.581 3.501 3.698 0.108 5 0 "[ . 1 . 2]" 1
768 1 61 LEU H 1 61 LEU MD1 . . 5.150 3.927 3.663 4.078 . 0 0 "[ . 1 . 2]" 1
769 1 61 LEU H 1 62 ARG H . . 5.060 4.550 4.384 4.607 . 0 0 "[ . 1 . 2]" 1
770 1 61 LEU HA 1 61 LEU MD1 . . 4.750 4.055 4.000 4.126 . 0 0 "[ . 1 . 2]" 1
771 1 61 LEU HA 1 62 ARG H . . 2.170 2.164 2.148 2.199 0.029 17 0 "[ . 1 . 2]" 1
772 1 61 LEU HA 1 63 PHE H . . 5.230 4.502 4.184 4.859 . 0 0 "[ . 1 . 2]" 1
773 1 61 LEU HA 1 70 ILE HA . . 3.830 3.629 3.496 3.838 0.008 11 0 "[ . 1 . 2]" 1
774 1 61 LEU HB2 1 61 LEU MD1 . . 2.130 2.106 1.951 2.188 0.058 15 0 "[ . 1 . 2]" 1
775 1 61 LEU HB2 1 63 PHE H . . 3.780 3.588 2.988 3.895 0.115 12 0 "[ . 1 . 2]" 1
776 1 61 LEU HB2 1 63 PHE QB . . 3.800 3.773 3.449 4.152 0.352 1 0 "[ . 1 . 2]" 1
777 1 61 LEU HB2 1 68 TRP HD1 . . 4.730 4.428 4.248 4.596 . 0 0 "[ . 1 . 2]" 1
778 1 61 LEU HB2 1 70 ILE HB . . 3.480 3.269 2.590 3.578 0.098 11 0 "[ . 1 . 2]" 1
779 1 61 LEU HB2 1 70 ILE MD . . 4.720 3.966 3.529 4.235 . 0 0 "[ . 1 . 2]" 1
780 1 61 LEU HB3 1 70 ILE HG12 . . 3.470 3.180 2.890 3.475 0.005 11 0 "[ . 1 . 2]" 1
781 1 61 LEU MD1 1 63 PHE H . . 4.630 3.230 2.856 3.639 . 0 0 "[ . 1 . 2]" 1
782 1 61 LEU MD1 1 63 PHE QB . . 3.880 2.240 1.941 2.693 . 0 0 "[ . 1 . 2]" 1
783 1 61 LEU MD1 1 70 ILE HB . . 4.660 3.919 3.165 4.467 . 0 0 "[ . 1 . 2]" 1
784 1 61 LEU MD2 1 70 ILE HG12 . . 3.280 2.944 2.202 3.375 0.095 1 0 "[ . 1 . 2]" 1
785 1 62 ARG H 1 63 PHE H . . 3.660 3.493 2.900 3.797 0.137 5 0 "[ . 1 . 2]" 1
786 1 62 ARG H 1 63 PHE HA . . 5.280 4.746 4.264 4.916 . 0 0 "[ . 1 . 2]" 1
787 1 62 ARG H 1 68 TRP HD1 . . 2.080 2.101 2.044 2.185 0.105 1 0 "[ . 1 . 2]" 1
788 1 62 ARG H 1 69 THR H . . 4.380 4.268 3.935 4.446 0.066 5 0 "[ . 1 . 2]" 1
789 1 62 ARG HA 1 63 PHE H . . 2.440 2.539 2.384 2.701 0.261 1 0 "[ . 1 . 2]" 1
790 1 62 ARG HA 1 68 TRP HD1 . . 5.240 4.710 4.440 4.825 . 0 0 "[ . 1 . 2]" 1
791 1 62 ARG HB2 1 62 ARG HD3 . . 2.290 2.135 2.005 2.446 0.156 19 0 "[ . 1 . 2]" 1
792 1 62 ARG HB2 1 63 PHE H . . 5.160 4.627 4.424 4.666 . 0 0 "[ . 1 . 2]" 1
793 1 62 ARG HB2 1 68 TRP HD1 . . 3.100 3.066 2.938 3.156 0.056 4 0 "[ . 1 . 2]" 1
794 1 62 ARG HB2 1 68 TRP HE1 . . 2.720 2.593 2.410 2.805 0.085 19 0 "[ . 1 . 2]" 1
795 1 63 PHE H 1 63 PHE QD . . 5.180 2.358 1.822 4.066 . 0 0 "[ . 1 . 2]" 1
796 1 63 PHE H 1 64 ASN HA . . 5.480 5.572 4.827 6.229 0.749 19 6 "[* ** * - +2]" 1
797 1 63 PHE HA 1 63 PHE QB . . 2.390 2.179 2.155 2.207 . 0 0 "[ . 1 . 2]" 1
798 1 63 PHE HA 1 63 PHE QD . . 4.360 3.556 2.586 3.728 . 0 0 "[ . 1 . 2]" 1
799 1 63 PHE HA 1 65 GLN H . . 3.650 3.604 2.893 3.911 0.261 17 0 "[ . 1 . 2]" 1
800 1 63 PHE QB 1 63 PHE QD . . 2.390 2.131 2.124 2.163 . 0 0 "[ . 1 . 2]" 1
801 1 63 PHE QB 1 64 ASN HA . . 5.450 4.491 4.027 4.820 . 0 0 "[ . 1 . 2]" 1
802 1 63 PHE QE 1 64 ASN HA . . 4.480 4.282 3.391 4.564 0.084 12 0 "[ . 1 . 2]" 1
803 1 64 ASN H 1 64 ASN HB2 . . 2.610 2.727 2.217 3.231 0.621 10 6 "[* ** + - *2]" 1
804 1 64 ASN H 1 65 GLN HB2 . . 5.220 4.885 4.487 5.547 0.327 5 0 "[ . 1 . 2]" 1
805 1 64 ASN HA 1 64 ASN HB2 . . 3.030 2.960 2.805 3.027 . 0 0 "[ . 1 . 2]" 1
806 1 64 ASN HA 1 65 GLN H . . 3.480 3.471 3.210 3.565 0.085 5 0 "[ . 1 . 2]" 1
807 1 64 ASN HA 1 65 GLN HA . . 5.050 4.566 4.442 4.670 . 0 0 "[ . 1 . 2]" 1
808 1 64 ASN HB2 1 65 GLN HA . . 5.020 5.022 4.584 5.501 0.481 19 0 "[ . 1 . 2]" 1
809 1 64 ASN HB3 1 65 GLN HB2 . . 5.270 4.235 3.380 5.171 . 0 0 "[ . 1 . 2]" 1
810 1 65 GLN H 1 65 GLN HB2 . . 2.510 2.481 2.107 2.951 0.441 17 0 "[ . 1 . 2]" 1
811 1 65 GLN H 1 68 TRP HB2 . . 5.220 4.719 4.324 5.274 0.054 17 0 "[ . 1 . 2]" 1
812 1 65 GLN HA 1 66 ALA H . . 2.770 2.770 2.266 3.538 0.768 17 1 "[ . 1 . + 2]" 1
813 1 65 GLN HB2 1 66 ALA H . . 3.560 3.502 2.384 4.061 0.501 12 1 "[ . 1 + . 2]" 1
814 1 66 ALA H 1 66 ALA HA . . 2.790 2.771 2.277 2.871 0.081 8 0 "[ . 1 . 2]" 1
815 1 66 ALA MB 1 67 ASP HB3 . . 5.390 4.041 3.586 4.524 . 0 0 "[ . 1 . 2]" 1
816 1 67 ASP H 1 67 ASP HB2 . . 3.580 3.505 2.832 3.637 0.057 18 0 "[ . 1 . 2]" 1
817 1 67 ASP H 1 68 TRP H . . 5.020 4.448 4.342 4.564 . 0 0 "[ . 1 . 2]" 1
818 1 67 ASP HA 1 67 ASP HB2 . . 2.390 2.391 2.277 2.472 0.082 6 0 "[ . 1 . 2]" 1
819 1 67 ASP HA 1 68 TRP H . . 2.150 2.149 2.138 2.161 0.011 11 0 "[ . 1 . 2]" 1
820 1 68 TRP H 1 69 THR H . . 4.620 4.434 4.418 4.466 . 0 0 "[ . 1 . 2]" 1
821 1 68 TRP H 1 69 THR HA . . 5.400 4.991 4.962 5.020 . 0 0 "[ . 1 . 2]" 1
822 1 68 TRP HA 1 68 TRP HD1 . . 4.450 4.134 4.046 4.192 . 0 0 "[ . 1 . 2]" 1
823 1 68 TRP HA 1 69 THR H . . 2.710 2.626 2.550 2.648 . 0 0 "[ . 1 . 2]" 1
824 1 68 TRP HA 1 69 THR HA . . 4.750 4.466 4.424 4.480 . 0 0 "[ . 1 . 2]" 1
825 1 68 TRP HB2 1 68 TRP HD1 . . 3.630 3.673 3.655 3.711 0.081 9 0 "[ . 1 . 2]" 1
826 1 68 TRP HB2 1 69 THR H . . 3.640 3.736 3.708 3.825 0.185 9 0 "[ . 1 . 2]" 1
827 1 68 TRP HB3 1 68 TRP HD1 . . 2.550 2.560 2.555 2.575 0.025 9 0 "[ . 1 . 2]" 1
828 1 68 TRP HB3 1 68 TRP HE1 . . 5.250 4.755 4.753 4.760 . 0 0 "[ . 1 . 2]" 1
829 1 68 TRP HD1 1 69 THR H . . 2.460 2.472 2.411 2.516 0.056 3 0 "[ . 1 . 2]" 1
830 1 68 TRP HE1 1 69 THR H . . 4.410 4.121 4.006 4.375 . 0 0 "[ . 1 . 2]" 1
831 1 69 THR H 1 69 THR HA . . 2.940 2.946 2.944 2.949 0.009 9 0 "[ . 1 . 2]" 1
832 1 69 THR H 1 70 ILE H . . 4.610 4.405 4.332 4.496 . 0 0 "[ . 1 . 2]" 1
833 1 69 THR H 1 70 ILE HA . . 5.300 4.868 4.796 4.994 . 0 0 "[ . 1 . 2]" 1
834 1 69 THR HA 1 70 ILE H . . 2.190 2.207 2.165 2.283 0.093 9 0 "[ . 1 . 2]" 1
835 1 69 THR HA 1 70 ILE HA . . 4.650 4.406 4.390 4.440 . 0 0 "[ . 1 . 2]" 1
836 1 70 ILE H 1 70 ILE HG12 . . 5.380 4.911 4.841 5.009 . 0 0 "[ . 1 . 2]" 1
837 1 70 ILE H 1 71 VAL H . . 4.550 4.291 4.252 4.346 . 0 0 "[ . 1 . 2]" 1
838 1 70 ILE HA 1 70 ILE HG12 . . 3.740 3.722 3.685 3.743 0.003 5 0 "[ . 1 . 2]" 1
839 1 70 ILE MD 1 70 ILE HG13 . . 2.210 2.081 2.073 2.113 . 0 0 "[ . 1 . 2]" 1
840 1 70 ILE MD 1 71 VAL H . . 2.470 2.276 1.877 2.477 0.007 16 0 "[ . 1 . 2]" 1
841 1 70 ILE MD 1 72 VAL HA . . 5.040 4.427 3.945 4.629 . 0 0 "[ . 1 . 2]" 1
842 1 70 ILE HG12 1 71 VAL H . . 5.030 4.493 4.189 4.586 . 0 0 "[ . 1 . 2]" 1
843 1 71 VAL H 1 71 VAL MG1 . . 4.340 2.962 2.526 3.810 . 0 0 "[ . 1 . 2]" 1
844 1 71 VAL H 1 72 VAL H . . 4.660 4.486 4.411 4.526 . 0 0 "[ . 1 . 2]" 1
845 1 71 VAL HA 1 72 VAL H . . 2.140 2.155 2.141 2.173 0.033 6 0 "[ . 1 . 2]" 1
846 1 71 VAL HA 1 72 VAL HA . . 4.650 4.398 4.394 4.404 . 0 0 "[ . 1 . 2]" 1
847 1 71 VAL MG1 1 72 VAL H . . 4.710 3.588 2.605 3.988 . 0 0 "[ . 1 . 2]" 1
848 1 72 VAL H 1 73 ARG H . . 4.620 4.339 4.308 4.388 . 0 0 "[ . 1 . 2]" 1
849 1 72 VAL H 1 73 ARG HA . . 5.450 4.865 4.814 4.967 . 0 0 "[ . 1 . 2]" 1
850 1 72 VAL HA 1 73 ARG H . . 2.140 2.148 2.146 2.158 0.018 17 0 "[ . 1 . 2]" 1
851 1 72 VAL HA 1 73 ARG HA . . 4.640 4.385 4.381 4.386 . 0 0 "[ . 1 . 2]" 1
852 1 72 VAL MG1 1 73 ARG H . . 2.620 2.506 2.393 2.598 . 0 0 "[ . 1 . 2]" 1
853 1 72 VAL MG1 1 73 ARG HA . . 4.400 4.031 3.899 4.138 . 0 0 "[ . 1 . 2]" 1
854 1 72 VAL MG1 1 73 ARG HG3 . . 3.930 3.767 3.665 3.791 . 0 0 "[ . 1 . 2]" 1
855 1 72 VAL MG1 1 74 LYS HA . . 4.380 3.960 3.786 4.169 . 0 0 "[ . 1 . 2]" 1
856 1 72 VAL MG1 1 74 LYS HG2 . . 5.240 4.209 3.891 4.786 . 0 0 "[ . 1 . 2]" 1
857 1 73 ARG H 1 73 ARG HB2 . . 3.660 3.652 3.616 3.691 0.031 17 0 "[ . 1 . 2]" 1
858 1 73 ARG H 1 74 LYS H . . 4.530 4.308 4.232 4.433 . 0 0 "[ . 1 . 2]" 1
859 1 73 ARG HA 1 74 LYS H . . 2.150 2.146 2.140 2.150 . 17 0 "[ . 1 . 2]" 1
860 1 73 ARG HA 1 74 LYS HA . . 4.670 4.407 4.374 4.420 . 0 0 "[ . 1 . 2]" 1
861 1 73 ARG HA 1 74 LYS HB2 . . 4.490 4.286 4.225 4.512 0.022 15 0 "[ . 1 . 2]" 1
862 1 73 ARG HB2 1 74 LYS H . . 3.660 3.594 3.360 3.669 0.009 14 0 "[ . 1 . 2]" 1
863 1 73 ARG HB2 1 75 LYS HB2 . . 5.070 4.714 4.437 4.913 . 0 0 "[ . 1 . 2]" 1
864 1 73 ARG HB2 1 75 LYS HG3 . . 5.330 4.852 4.448 5.332 0.002 1 0 "[ . 1 . 2]" 1
865 1 73 ARG HD3 1 75 LYS HB2 . . 4.410 3.631 3.207 4.416 0.006 17 0 "[ . 1 . 2]" 1
866 1 73 ARG HG3 1 75 LYS HB2 . . 5.240 4.850 4.541 5.203 . 0 0 "[ . 1 . 2]" 1
867 1 74 LYS H 1 74 LYS HB2 . . 2.150 2.192 2.124 2.394 0.244 15 0 "[ . 1 . 2]" 1
868 1 74 LYS H 1 75 LYS H . . 5.140 4.632 4.597 4.645 . 0 0 "[ . 1 . 2]" 1
869 1 74 LYS HA 1 74 LYS HB2 . . 2.960 2.972 2.946 3.021 0.061 15 0 "[ . 1 . 2]" 1
870 1 74 LYS HA 1 75 LYS HA . . 5.030 4.542 4.507 4.553 . 0 0 "[ . 1 . 2]" 1
871 1 74 LYS HB2 1 74 LYS HD2 . . 3.680 3.376 1.998 3.786 0.106 20 0 "[ . 1 . 2]" 1
872 1 74 LYS HB2 1 75 LYS H . . 4.360 4.012 3.935 4.063 . 0 0 "[ . 1 . 2]" 1
873 1 75 LYS H 1 76 ALA H . . 4.610 3.371 1.879 4.360 . 0 0 "[ . 1 . 2]" 1
874 1 75 LYS HB2 1 76 ALA H . . 3.780 3.587 3.349 3.790 0.010 10 0 "[ . 1 . 2]" 1
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