NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400051 |
1ujd   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ujd
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 1249
_Distance_constraint_stats_list.Viol_count 1353
_Distance_constraint_stats_list.Viol_total 2301.295
_Distance_constraint_stats_list.Viol_max 0.993
_Distance_constraint_stats_list.Viol_rms 0.0393
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0850
_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 8 HIS 0.042 0.021 13 0 "[ . 1 . 2]"
1 9 TYR 0.042 0.021 13 0 "[ . 1 . 2]"
1 10 ILE 0.146 0.139 2 0 "[ . 1 . 2]"
1 11 PHE 4.079 0.623 13 2 "[ . 1 +-. 2]"
1 12 PRO 0.783 0.087 10 0 "[ . 1 . 2]"
1 13 HIS 0.204 0.026 20 0 "[ . 1 . 2]"
1 14 ALA 0.120 0.020 13 0 "[ . 1 . 2]"
1 15 ARG 1.970 0.579 7 1 "[ . + 1 . 2]"
1 16 ILE 4.146 0.803 6 2 "[ .+ 1 . -2]"
1 17 LYS 11.756 0.823 14 7 "[ -* * *1 * +. *2]"
1 18 ILE 7.918 0.667 18 6 "[*** . 1 - .* + 2]"
1 19 THR 9.050 0.993 15 4 "[ - * 1 *+ 2]"
1 20 ARG 0.092 0.048 18 0 "[ . 1 . 2]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 3.402 0.790 7 2 "[ . + 1 .- 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.986 0.328 1 0 "[ . 1 . 2]"
1 32 LEU 0.008 0.008 14 0 "[ . 1 . 2]"
1 33 GLY 0.514 0.296 16 0 "[ . 1 . 2]"
1 34 ILE 0.826 0.621 1 1 "[+ . 1 . 2]"
1 35 ARG 3.453 0.682 13 3 "[ *. 1 + .- 2]"
1 36 ILE 0.921 0.621 1 1 "[+ . 1 . 2]"
1 37 VAL 1.021 0.377 14 0 "[ . 1 . 2]"
1 38 GLY 0.677 0.095 16 0 "[ . 1 . 2]"
1 39 GLY 0.030 0.015 11 0 "[ . 1 . 2]"
1 40 LYS 0.329 0.197 8 0 "[ . 1 . 2]"
1 41 GLU 0.452 0.197 8 0 "[ . 1 . 2]"
1 42 ILE 2.859 0.636 19 2 "[ . * . +2]"
1 43 PRO 0.005 0.005 8 0 "[ . 1 . 2]"
1 45 HIS 3.088 0.636 19 2 "[ . * . +2]"
1 46 SER 0.505 0.088 9 0 "[ . 1 . 2]"
1 47 GLY 0.401 0.088 9 0 "[ . 1 . 2]"
1 48 GLU 1.041 0.226 19 0 "[ . 1 . 2]"
1 49 ILE 0.593 0.077 19 0 "[ . 1 . 2]"
1 50 GLY 0.026 0.012 10 0 "[ . 1 . 2]"
1 51 ALA 0.456 0.095 16 0 "[ . 1 . 2]"
1 52 TYR 1.020 0.377 14 0 "[ . 1 . 2]"
1 53 ILE 1.164 0.127 14 0 "[ . 1 . 2]"
1 54 ALA 0.077 0.013 11 0 "[ . 1 . 2]"
1 55 LYS 7.063 0.795 13 3 "[ . * 1 + .- 2]"
1 56 ILE 3.456 0.299 18 0 "[ . 1 . 2]"
1 57 LEU 2.826 0.795 13 2 "[ . - 1 + . 2]"
1 58 PRO 1.799 0.238 16 0 "[ . 1 . 2]"
1 59 GLY 1.926 0.238 16 0 "[ . 1 . 2]"
1 60 GLY 0.318 0.115 10 0 "[ . 1 . 2]"
1 61 SER 1.333 0.734 15 1 "[ . 1 + 2]"
1 62 ALA 0.775 0.398 13 0 "[ . 1 . 2]"
1 63 GLU 0.490 0.065 19 0 "[ . 1 . 2]"
1 64 GLN 3.024 0.734 15 1 "[ . 1 + 2]"
1 65 THR 0.140 0.058 15 0 "[ . 1 . 2]"
1 66 GLY 0.145 0.084 15 0 "[ . 1 . 2]"
1 67 LYS 7.517 0.883 11 5 "[ .* 1+ * .* -2]"
1 68 LEU 4.212 0.526 18 2 "[ . 1 . -+ 2]"
1 69 MET 5.437 0.666 8 4 "[* . + 1 . ** 2]"
1 70 GLU 1.665 0.521 1 2 "[+ . - 1 . 2]"
1 71 GLY 0.058 0.015 3 0 "[ . 1 . 2]"
1 72 MET 1.916 0.666 8 1 "[ . + 1 . 2]"
1 73 GLN 0.727 0.702 8 1 "[ . + 1 . 2]"
1 74 VAL 0.303 0.045 16 0 "[ . 1 . 2]"
1 75 LEU 2.562 0.702 8 3 "[ . + *- . 2]"
1 76 GLU 0.600 0.279 15 0 "[ . 1 . 2]"
1 77 TRP 3.883 0.593 6 3 "[ .+ - * . 2]"
1 78 ASN 0.917 0.229 3 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 2.036 0.214 2 0 "[ . 1 . 2]"
1 81 PRO 1.570 0.214 2 0 "[ . 1 . 2]"
1 82 LEU 0.650 0.279 15 0 "[ . 1 . 2]"
1 83 THR 0.194 0.139 15 0 "[ . 1 . 2]"
1 84 SER 0.263 0.063 15 0 "[ . 1 . 2]"
1 85 LYS 0.464 0.061 17 0 "[ . 1 . 2]"
1 86 THR 0.090 0.059 16 0 "[ . 1 . 2]"
1 87 TYR 1.155 0.516 18 1 "[ . 1 . + 2]"
1 88 GLU 1.067 0.516 18 1 "[ . 1 . + 2]"
1 89 GLU 1.729 0.492 16 0 "[ . 1 . 2]"
1 90 VAL 0.579 0.065 16 0 "[ . 1 . 2]"
1 91 GLN 4.121 0.400 15 0 "[ . 1 . 2]"
1 92 SER 0.575 0.175 15 0 "[ . 1 . 2]"
1 93 ILE 2.144 0.098 16 0 "[ . 1 . 2]"
1 94 ILE 3.949 0.238 19 0 "[ . 1 . 2]"
1 95 SER 2.611 0.181 16 0 "[ . 1 . 2]"
1 96 GLN 0.384 0.146 5 0 "[ . 1 . 2]"
1 97 GLN 0.019 0.011 14 0 "[ . 1 . 2]"
1 98 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLU 7.743 0.993 15 5 "[ * *- 1 *+ 2]"
1 101 ALA 2.400 0.497 15 0 "[ . 1 . 2]"
1 102 GLU 4.233 0.404 3 0 "[ . 1 . 2]"
1 103 ILE 5.315 0.706 12 4 "[ .* - +* . 2]"
1 104 CYS 1.158 0.706 12 1 "[ . 1 + . 2]"
1 105 VAL 0.369 0.095 3 0 "[ . 1 . 2]"
1 106 ARG 5.751 0.623 13 4 "[ . *- +*. 2]"
1 107 LEU 4.144 0.223 17 0 "[ . 1 . 2]"
1 108 ASP 0.266 0.067 3 0 "[ . 1 . 2]"
1 109 LEU 0.282 0.067 3 0 "[ . 1 . 2]"
1 110 ASN 0.059 0.026 20 0 "[ . 1 . 2]"
1 111 MET 0.043 0.014 8 0 "[ . 1 . 2]"
1 112 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 PRO 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 8 HIS HA 1 9 TYR H . . 3.620 2.550 2.190 3.641 0.021 13 0 "[ . 1 . 2]" 1
2 1 8 HIS HB3 1 8 HIS HD2 . . 3.990 3.266 2.727 3.879 . 0 0 "[ . 1 . 2]" 1
3 1 8 HIS HB3 1 9 TYR H . . 5.050 3.964 1.964 4.477 . 0 0 "[ . 1 . 2]" 1
4 1 8 HIS HE1 1 9 TYR HB2 . . 4.260 4.081 3.690 4.258 . 0 0 "[ . 1 . 2]" 1
5 1 9 TYR H 1 9 TYR QD . . 4.310 3.300 2.413 4.056 . 0 0 "[ . 1 . 2]" 1
6 1 9 TYR HA 1 9 TYR QD . . 3.200 2.238 1.997 3.052 . 0 0 "[ . 1 . 2]" 1
7 1 9 TYR HA 1 10 ILE H . . 3.320 2.497 2.291 2.642 . 0 0 "[ . 1 . 2]" 1
8 1 9 TYR HA 1 11 PHE H . . 4.370 4.071 3.794 4.371 0.001 17 0 "[ . 1 . 2]" 1
9 1 9 TYR HB2 1 11 PHE H . . 3.870 3.414 2.957 3.820 . 0 0 "[ . 1 . 2]" 1
10 1 9 TYR HB3 1 11 PHE H . . 3.160 2.146 1.948 2.617 . 0 0 "[ . 1 . 2]" 1
11 1 9 TYR HB3 1 11 PHE QE . . 3.860 3.024 2.706 3.301 . 0 0 "[ . 1 . 2]" 1
12 1 9 TYR QD 1 11 PHE QE . . 3.300 2.444 2.094 2.829 . 0 0 "[ . 1 . 2]" 1
13 1 9 TYR QD 1 75 LEU QD . . 3.980 3.120 2.545 3.739 . 0 0 "[ . 1 . 2]" 1
14 1 9 TYR QE 1 11 PHE QE . . 4.140 3.474 3.118 3.972 . 0 0 "[ . 1 . 2]" 1
15 1 9 TYR QE 1 75 LEU QD . . 4.160 2.845 2.356 3.597 . 0 0 "[ . 1 . 2]" 1
16 1 10 ILE H 1 10 ILE HG12 . . 3.970 2.523 2.018 3.233 . 0 0 "[ . 1 . 2]" 1
17 1 10 ILE H 1 10 ILE HG13 . . 3.930 2.466 2.030 3.595 . 0 0 "[ . 1 . 2]" 1
18 1 10 ILE H 1 10 ILE MG . . 3.910 2.363 1.999 2.839 . 0 0 "[ . 1 . 2]" 1
19 1 10 ILE H 1 11 PHE H . . 3.850 2.482 2.273 2.742 . 0 0 "[ . 1 . 2]" 1
20 1 10 ILE HA 1 10 ILE HB . . 2.970 2.457 2.382 2.547 . 0 0 "[ . 1 . 2]" 1
21 1 10 ILE HA 1 10 ILE MD . . 4.220 3.900 3.544 4.142 . 0 0 "[ . 1 . 2]" 1
22 1 10 ILE HA 1 10 ILE HG12 . . 4.240 3.970 3.580 4.228 . 0 0 "[ . 1 . 2]" 1
23 1 10 ILE HA 1 10 ILE MG . . 2.980 2.271 2.087 2.464 . 0 0 "[ . 1 . 2]" 1
24 1 10 ILE HB 1 10 ILE MD . . 3.270 2.160 1.965 3.111 . 0 0 "[ . 1 . 2]" 1
25 1 10 ILE HB 1 11 PHE H . . 4.330 4.111 3.800 4.337 0.007 6 0 "[ . 1 . 2]" 1
26 1 10 ILE MD 1 11 PHE H . . 4.330 3.704 2.218 4.268 . 0 0 "[ . 1 . 2]" 1
27 1 10 ILE MD 1 11 PHE QD . . 4.450 3.023 2.367 3.762 . 0 0 "[ . 1 . 2]" 1
28 1 10 ILE HG12 1 10 ILE MG . . 3.020 2.242 2.031 3.159 0.139 2 0 "[ . 1 . 2]" 1
29 1 10 ILE HG12 1 11 PHE QD . . 3.890 3.258 2.014 3.690 . 0 0 "[ . 1 . 2]" 1
30 1 10 ILE HG13 1 11 PHE H . . 4.870 2.529 1.951 4.379 . 0 0 "[ . 1 . 2]" 1
31 1 11 PHE H 1 11 PHE HB3 . . 4.160 2.924 2.657 3.154 . 0 0 "[ . 1 . 2]" 1
32 1 11 PHE H 1 11 PHE QD . . 3.650 2.537 2.130 2.873 . 0 0 "[ . 1 . 2]" 1
33 1 11 PHE H 1 12 PRO HD3 . . 4.790 4.806 4.792 4.812 0.022 10 0 "[ . 1 . 2]" 1
34 1 11 PHE HA 1 11 PHE QD . . 4.160 3.745 3.726 3.756 . 0 0 "[ . 1 . 2]" 1
35 1 11 PHE HA 1 12 PRO HD2 . . 3.140 2.827 2.811 2.849 . 0 0 "[ . 1 . 2]" 1
36 1 11 PHE HA 1 12 PRO HD3 . . 2.800 2.066 2.056 2.081 . 0 0 "[ . 1 . 2]" 1
37 1 11 PHE HB2 1 12 PRO HD2 . . 3.110 1.998 1.959 2.034 . 0 0 "[ . 1 . 2]" 1
38 1 11 PHE HB2 1 12 PRO HD3 . . 3.430 3.057 2.997 3.093 . 0 0 "[ . 1 . 2]" 1
39 1 11 PHE HB3 1 12 PRO HD2 . . 3.330 3.322 3.183 3.417 0.087 10 0 "[ . 1 . 2]" 1
40 1 11 PHE HB3 1 12 PRO HD3 . . 4.050 3.740 3.614 3.824 . 0 0 "[ . 1 . 2]" 1
41 1 11 PHE QD 1 12 PRO HD2 . . 4.110 3.646 3.364 3.813 . 0 0 "[ . 1 . 2]" 1
42 1 11 PHE QD 1 13 HIS HA . . 5.010 3.996 3.794 4.135 . 0 0 "[ . 1 . 2]" 1
43 1 11 PHE QD 1 13 HIS HB2 . . 3.820 3.780 3.650 3.835 0.015 12 0 "[ . 1 . 2]" 1
44 1 11 PHE QD 1 13 HIS HB3 . . 3.860 2.465 2.166 2.930 . 0 0 "[ . 1 . 2]" 1
45 1 11 PHE QD 1 75 LEU QD . . 4.030 3.506 3.046 3.758 . 0 0 "[ . 1 . 2]" 1
46 1 11 PHE QD 1 106 ARG HB2 . . 4.580 4.046 3.184 4.583 0.003 2 0 "[ . 1 . 2]" 1
47 1 11 PHE QD 1 106 ARG HD2 . . 4.220 4.148 2.768 4.843 0.623 13 2 "[ . 1 +-. 2]" 1
48 1 11 PHE QD 1 106 ARG HG2 . . 4.480 3.863 2.859 4.486 0.006 15 0 "[ . 1 . 2]" 1
49 1 11 PHE QD 1 106 ARG HG3 . . 3.550 2.346 1.993 2.914 . 0 0 "[ . 1 . 2]" 1
50 1 11 PHE QD 1 107 LEU H . . 5.300 4.253 3.676 4.745 . 0 0 "[ . 1 . 2]" 1
51 1 11 PHE QE 1 13 HIS HB2 . . 3.930 3.065 2.592 3.432 . 0 0 "[ . 1 . 2]" 1
52 1 11 PHE QE 1 75 LEU QD . . 2.990 2.003 1.802 2.548 . 0 0 "[ . 1 . 2]" 1
53 1 11 PHE QE 1 106 ARG HB2 . . 4.410 3.683 2.718 4.363 . 0 0 "[ . 1 . 2]" 1
54 1 11 PHE HZ 1 75 LEU QD . . 4.450 2.401 2.055 3.158 . 0 0 "[ . 1 . 2]" 1
55 1 12 PRO HA 1 13 HIS H . . 2.920 2.153 2.148 2.198 . 0 0 "[ . 1 . 2]" 1
56 1 12 PRO HA 1 107 LEU MD1 . . 3.800 3.402 3.065 3.784 . 0 0 "[ . 1 . 2]" 1
57 1 12 PRO HB2 1 13 HIS H . . 4.510 3.772 3.433 3.859 . 0 0 "[ . 1 . 2]" 1
58 1 12 PRO HB2 1 107 LEU H . . 4.170 3.918 3.731 4.173 0.003 8 0 "[ . 1 . 2]" 1
59 1 12 PRO HB2 1 107 LEU HB2 . . 3.250 2.101 1.999 2.181 . 0 0 "[ . 1 . 2]" 1
60 1 12 PRO HB2 1 107 LEU HB3 . . 3.910 3.234 2.882 3.578 . 0 0 "[ . 1 . 2]" 1
61 1 12 PRO HB2 1 107 LEU MD1 . . 3.530 2.135 1.932 2.628 . 0 0 "[ . 1 . 2]" 1
62 1 12 PRO HB2 1 107 LEU MD2 . . 4.390 4.254 4.070 4.396 0.006 15 0 "[ . 1 . 2]" 1
63 1 12 PRO HB3 1 13 HIS H . . 4.110 4.059 3.819 4.124 0.014 11 0 "[ . 1 . 2]" 1
64 1 12 PRO HB3 1 107 LEU HB2 . . 3.820 3.815 3.715 3.867 0.047 20 0 "[ . 1 . 2]" 1
65 1 12 PRO HB3 1 107 LEU MD1 . . 3.540 3.073 2.754 3.545 0.005 18 0 "[ . 1 . 2]" 1
66 1 13 HIS H 1 107 LEU MD1 . . 4.190 3.163 2.773 3.567 . 0 0 "[ . 1 . 2]" 1
67 1 13 HIS H 1 107 LEU HG . . 4.770 3.612 3.177 4.242 . 0 0 "[ . 1 . 2]" 1
68 1 13 HIS HA 1 13 HIS HB2 . . 2.930 2.280 2.220 2.323 . 0 0 "[ . 1 . 2]" 1
69 1 13 HIS HA 1 14 ALA H . . 3.090 2.547 2.465 2.758 . 0 0 "[ . 1 . 2]" 1
70 1 13 HIS HA 1 14 ALA MB . . 4.770 3.781 3.678 3.863 . 0 0 "[ . 1 . 2]" 1
71 1 13 HIS HA 1 106 ARG HA . . 3.420 2.450 2.137 2.761 . 0 0 "[ . 1 . 2]" 1
72 1 13 HIS HA 1 107 LEU H . . 3.570 2.011 1.935 2.307 . 0 0 "[ . 1 . 2]" 1
73 1 13 HIS HA 1 107 LEU MD1 . . 3.560 3.473 3.027 3.586 0.026 20 0 "[ . 1 . 2]" 1
74 1 13 HIS HA 1 107 LEU MD2 . . 4.230 3.341 2.243 4.186 . 0 0 "[ . 1 . 2]" 1
75 1 13 HIS HA 1 107 LEU HG . . 3.130 2.266 1.997 2.711 . 0 0 "[ . 1 . 2]" 1
76 1 13 HIS HB2 1 14 ALA H . . 3.280 2.640 2.357 2.932 . 0 0 "[ . 1 . 2]" 1
77 1 13 HIS HB2 1 75 LEU QD . . 3.320 2.689 2.272 3.081 . 0 0 "[ . 1 . 2]" 1
78 1 13 HIS HB2 1 105 VAL H . . 4.980 4.401 3.913 4.738 . 0 0 "[ . 1 . 2]" 1
79 1 13 HIS HB3 1 13 HIS HD2 . . 3.640 3.277 2.861 3.551 . 0 0 "[ . 1 . 2]" 1
80 1 13 HIS HB3 1 75 LEU QD . . 3.640 3.248 2.714 3.590 . 0 0 "[ . 1 . 2]" 1
81 1 13 HIS HD2 1 14 ALA H . . 5.200 4.504 3.836 5.154 . 0 0 "[ . 1 . 2]" 1
82 1 14 ALA H 1 14 ALA MB . . 3.140 2.587 2.239 2.876 . 0 0 "[ . 1 . 2]" 1
83 1 14 ALA H 1 15 ARG HA . . 5.500 4.489 4.186 4.893 . 0 0 "[ . 1 . 2]" 1
84 1 14 ALA H 1 75 LEU QD . . 4.860 4.342 3.962 4.724 . 0 0 "[ . 1 . 2]" 1
85 1 14 ALA H 1 104 CYS HA . . 5.250 4.652 4.326 5.166 . 0 0 "[ . 1 . 2]" 1
86 1 14 ALA H 1 105 VAL H . . 3.850 3.466 3.229 3.697 . 0 0 "[ . 1 . 2]" 1
87 1 14 ALA H 1 105 VAL QG . . 3.540 3.292 2.905 3.524 . 0 0 "[ . 1 . 2]" 1
88 1 14 ALA H 1 107 LEU H . . 5.100 4.059 3.685 4.438 . 0 0 "[ . 1 . 2]" 1
89 1 14 ALA H 1 107 LEU MD2 . . 4.040 3.571 2.647 4.060 0.020 13 0 "[ . 1 . 2]" 1
90 1 14 ALA H 1 107 LEU HG . . 4.290 3.614 3.019 4.284 . 0 0 "[ . 1 . 2]" 1
91 1 14 ALA HA 1 15 ARG H . . 3.070 2.244 2.187 2.356 . 0 0 "[ . 1 . 2]" 1
92 1 14 ALA MB 1 15 ARG H . . 3.520 3.163 2.724 3.533 0.013 13 0 "[ . 1 . 2]" 1
93 1 14 ALA MB 1 105 VAL H . . 4.470 4.249 3.736 4.481 0.011 19 0 "[ . 1 . 2]" 1
94 1 14 ALA MB 1 107 LEU MD2 . . 2.650 2.114 1.815 2.464 . 0 0 "[ . 1 . 2]" 1
95 1 15 ARG H 1 15 ARG HB2 . . 3.470 2.336 2.113 2.569 . 0 0 "[ . 1 . 2]" 1
96 1 15 ARG H 1 15 ARG HB3 . . 3.650 3.393 2.993 3.653 0.003 5 0 "[ . 1 . 2]" 1
97 1 15 ARG H 1 15 ARG HG3 . . 4.420 3.556 2.084 4.373 . 0 0 "[ . 1 . 2]" 1
98 1 15 ARG HA 1 15 ARG HG2 . . 3.920 2.304 1.978 2.748 . 0 0 "[ . 1 . 2]" 1
99 1 15 ARG HA 1 15 ARG HG3 . . 3.610 2.850 2.297 3.342 . 0 0 "[ . 1 . 2]" 1
100 1 15 ARG HA 1 16 ILE H . . 3.140 2.302 2.234 2.364 . 0 0 "[ . 1 . 2]" 1
101 1 15 ARG HA 1 104 CYS HA . . 3.200 2.782 2.151 3.141 . 0 0 "[ . 1 . 2]" 1
102 1 15 ARG HA 1 105 VAL H . . 4.510 3.833 2.990 4.305 . 0 0 "[ . 1 . 2]" 1
103 1 15 ARG HB3 1 15 ARG HD2 . . 3.410 2.728 1.978 3.989 0.579 7 1 "[ . + 1 . 2]" 1
104 1 15 ARG HB3 1 16 ILE H . . 4.190 4.095 3.437 4.211 0.021 9 0 "[ . 1 . 2]" 1
105 1 15 ARG HG2 1 104 CYS HA . . 4.040 3.023 2.349 3.559 . 0 0 "[ . 1 . 2]" 1
106 1 15 ARG HG2 1 104 CYS QB . . 3.670 2.955 2.113 3.556 . 0 0 "[ . 1 . 2]" 1
107 1 15 ARG HG2 1 105 VAL H . . 5.300 4.877 4.260 5.297 . 0 0 "[ . 1 . 2]" 1
108 1 15 ARG HG3 1 104 CYS HA . . 4.240 3.781 2.463 4.253 0.013 20 0 "[ . 1 . 2]" 1
109 1 15 ARG HG3 1 104 CYS QB . . 4.150 3.543 2.674 4.052 . 0 0 "[ . 1 . 2]" 1
110 1 16 ILE H 1 16 ILE HB . . 3.260 2.406 2.165 2.706 . 0 0 "[ . 1 . 2]" 1
111 1 16 ILE H 1 16 ILE MD . . 4.170 2.738 2.209 4.195 0.025 9 0 "[ . 1 . 2]" 1
112 1 16 ILE H 1 16 ILE HG12 . . 4.460 4.209 2.479 4.475 0.015 19 0 "[ . 1 . 2]" 1
113 1 16 ILE H 1 16 ILE HG13 . . 4.460 3.684 2.646 4.044 . 0 0 "[ . 1 . 2]" 1
114 1 16 ILE H 1 16 ILE MG . . 3.980 3.675 3.535 3.876 . 0 0 "[ . 1 . 2]" 1
115 1 16 ILE H 1 17 LYS H . . 4.770 4.461 4.182 4.630 . 0 0 "[ . 1 . 2]" 1
116 1 16 ILE H 1 103 ILE H . . 4.010 3.942 3.351 4.034 0.024 13 0 "[ . 1 . 2]" 1
117 1 16 ILE H 1 103 ILE MG . . 4.020 3.138 2.232 3.515 . 0 0 "[ . 1 . 2]" 1
118 1 16 ILE H 1 104 CYS HA . . 4.220 3.982 3.376 4.228 0.008 9 0 "[ . 1 . 2]" 1
119 1 16 ILE HA 1 16 ILE MD . . 3.710 3.131 2.358 3.811 0.101 8 0 "[ . 1 . 2]" 1
120 1 16 ILE HA 1 16 ILE HG12 . . 3.780 3.273 2.458 3.566 . 0 0 "[ . 1 . 2]" 1
121 1 16 ILE HA 1 16 ILE HG13 . . 3.650 2.419 2.099 3.798 0.148 9 0 "[ . 1 . 2]" 1
122 1 16 ILE HA 1 16 ILE MG . . 2.850 2.530 2.267 2.678 . 0 0 "[ . 1 . 2]" 1
123 1 16 ILE HA 1 17 LYS H . . 2.790 2.308 2.177 2.486 . 0 0 "[ . 1 . 2]" 1
124 1 16 ILE HA 1 17 LYS QB . . 4.210 4.074 3.868 4.278 0.068 13 0 "[ . 1 . 2]" 1
125 1 16 ILE HB 1 16 ILE MD . . 2.890 2.279 1.985 3.167 0.277 18 0 "[ . 1 . 2]" 1
126 1 16 ILE HB 1 16 ILE HG12 . . 3.020 2.703 2.582 3.031 0.011 13 0 "[ . 1 . 2]" 1
127 1 16 ILE MD 1 17 LYS H . . 4.850 4.709 3.653 4.954 0.104 17 0 "[ . 1 . 2]" 1
128 1 16 ILE MD 1 67 LYS HB2 . . 4.270 3.062 1.877 3.916 . 0 0 "[ . 1 . 2]" 1
129 1 16 ILE MD 1 67 LYS HB3 . . 3.340 2.502 1.890 3.038 . 0 0 "[ . 1 . 2]" 1
130 1 16 ILE MD 1 67 LYS QD . . 3.550 2.482 1.806 3.437 . 0 0 "[ . 1 . 2]" 1
131 1 16 ILE MD 1 67 LYS HE2 . . 4.480 4.038 2.367 5.283 0.803 6 2 "[ .+ 1 . -2]" 1
132 1 16 ILE HG12 1 16 ILE MG . . 2.870 2.305 2.081 3.205 0.335 18 0 "[ . 1 . 2]" 1
133 1 16 ILE HG13 1 16 ILE MG . . 3.200 2.776 2.584 3.224 0.024 13 0 "[ . 1 . 2]" 1
134 1 16 ILE MG 1 17 LYS H . . 3.350 2.284 1.819 3.050 . 0 0 "[ . 1 . 2]" 1
135 1 16 ILE MG 1 65 THR HA . . 4.510 4.019 3.606 4.513 0.003 13 0 "[ . 1 . 2]" 1
136 1 16 ILE MG 1 65 THR HB . . 3.430 2.266 1.972 2.671 . 0 0 "[ . 1 . 2]" 1
137 1 16 ILE MG 1 65 THR MG . . 2.750 2.247 1.994 2.765 0.015 17 0 "[ . 1 . 2]" 1
138 1 16 ILE MG 1 67 LYS H . . 4.600 4.239 3.850 4.624 0.024 13 0 "[ . 1 . 2]" 1
139 1 16 ILE MG 1 67 LYS HB2 . . 3.840 3.312 2.575 3.847 0.007 11 0 "[ . 1 . 2]" 1
140 1 16 ILE MG 1 67 LYS HB3 . . 4.210 3.943 3.601 4.215 0.005 10 0 "[ . 1 . 2]" 1
141 1 17 LYS H 1 17 LYS QB . . 2.990 2.476 2.104 2.888 . 0 0 "[ . 1 . 2]" 1
142 1 17 LYS H 1 17 LYS QD . . 4.310 3.170 2.112 4.228 . 0 0 "[ . 1 . 2]" 1
143 1 17 LYS H 1 17 LYS HG2 . . 4.480 3.231 2.242 4.104 . 0 0 "[ . 1 . 2]" 1
144 1 17 LYS H 1 17 LYS HG3 . . 3.860 3.615 2.466 4.506 0.646 12 6 "[ -* * *1 + . *2]" 1
145 1 17 LYS H 1 18 ILE HA . . 5.500 5.053 4.818 5.317 . 0 0 "[ . 1 . 2]" 1
146 1 17 LYS HA 1 17 LYS HG2 . . 3.820 3.520 3.042 3.923 0.103 13 0 "[ . 1 . 2]" 1
147 1 17 LYS HA 1 17 LYS HG3 . . 3.800 3.829 3.584 4.091 0.291 17 0 "[ . 1 . 2]" 1
148 1 17 LYS HA 1 18 ILE H . . 3.030 2.345 2.185 2.633 . 0 0 "[ . 1 . 2]" 1
149 1 17 LYS HA 1 18 ILE MD . . 4.040 3.959 3.726 4.073 0.033 13 0 "[ . 1 . 2]" 1
150 1 17 LYS QB 1 17 LYS HE3 . . 4.270 3.580 2.768 4.271 0.001 16 0 "[ . 1 . 2]" 1
151 1 17 LYS QB 1 18 ILE H . . 3.730 3.003 2.218 3.554 . 0 0 "[ . 1 . 2]" 1
152 1 17 LYS QB 1 19 THR MG . . 4.270 4.240 3.949 4.303 0.033 12 0 "[ . 1 . 2]" 1
153 1 17 LYS QD 1 19 THR H . . 4.630 4.127 3.459 4.656 0.026 18 0 "[ . 1 . 2]" 1
154 1 17 LYS HE2 1 17 LYS HG2 . . 4.010 2.946 1.991 3.767 . 0 0 "[ . 1 . 2]" 1
155 1 17 LYS HE3 1 19 THR MG . . 4.000 3.599 2.996 4.823 0.823 14 1 "[ . 1 +. 2]" 1
156 1 17 LYS HG2 1 18 ILE H . . 4.950 3.823 2.526 4.931 . 0 0 "[ . 1 . 2]" 1
157 1 17 LYS HG3 1 18 ILE H . . 4.450 4.109 3.409 4.785 0.335 20 0 "[ . 1 . 2]" 1
158 1 18 ILE H 1 18 ILE HB . . 3.340 2.610 2.472 2.828 . 0 0 "[ . 1 . 2]" 1
159 1 18 ILE H 1 18 ILE MD . . 3.870 3.229 2.547 3.853 . 0 0 "[ . 1 . 2]" 1
160 1 18 ILE H 1 18 ILE HG12 . . 3.590 3.381 1.924 4.257 0.667 18 6 "[*** . 1 - .* + 2]" 1
161 1 18 ILE H 1 18 ILE HG13 . . 4.310 2.942 2.151 4.207 . 0 0 "[ . 1 . 2]" 1
162 1 18 ILE H 1 18 ILE MG . . 4.220 3.809 3.713 3.921 . 0 0 "[ . 1 . 2]" 1
163 1 18 ILE H 1 19 THR H . . 5.350 4.360 4.128 4.534 . 0 0 "[ . 1 . 2]" 1
164 1 18 ILE H 1 101 ALA H . . 4.030 2.817 2.489 3.262 . 0 0 "[ . 1 . 2]" 1
165 1 18 ILE H 1 101 ALA MB . . 4.750 3.993 3.688 4.330 . 0 0 "[ . 1 . 2]" 1
166 1 18 ILE HA 1 18 ILE MD . . 3.960 3.267 2.004 3.917 . 0 0 "[ . 1 . 2]" 1
167 1 18 ILE HA 1 18 ILE HG12 . . 4.090 3.034 2.820 3.166 . 0 0 "[ . 1 . 2]" 1
168 1 18 ILE HA 1 18 ILE HG13 . . 3.820 3.088 2.602 3.864 0.044 19 0 "[ . 1 . 2]" 1
169 1 18 ILE HA 1 18 ILE MG . . 2.840 2.313 2.207 2.427 . 0 0 "[ . 1 . 2]" 1
170 1 18 ILE HA 1 19 THR H . . 2.870 2.178 2.176 2.186 . 0 0 "[ . 1 . 2]" 1
171 1 18 ILE HA 1 65 THR MG . . 3.280 2.842 2.144 3.225 . 0 0 "[ . 1 . 2]" 1
172 1 18 ILE HB 1 19 THR H . . 4.240 4.314 4.258 4.396 0.156 2 0 "[ . 1 . 2]" 1
173 1 18 ILE HB 1 101 ALA H . . 3.510 2.960 2.226 3.541 0.031 17 0 "[ . 1 . 2]" 1
174 1 18 ILE HB 1 101 ALA MB . . 3.360 3.164 2.798 3.388 0.028 13 0 "[ . 1 . 2]" 1
175 1 18 ILE MD 1 62 ALA HA . . 3.830 3.173 2.173 3.852 0.022 13 0 "[ . 1 . 2]" 1
176 1 18 ILE MD 1 62 ALA MB . . 3.510 2.953 1.963 3.531 0.021 17 0 "[ . 1 . 2]" 1
177 1 18 ILE MD 1 77 TRP HH2 . . 3.870 2.996 1.916 3.883 0.013 12 0 "[ . 1 . 2]" 1
178 1 18 ILE MD 1 77 TRP HZ3 . . 4.140 2.772 1.909 3.829 . 0 0 "[ . 1 . 2]" 1
179 1 18 ILE MG 1 19 THR H . . 3.430 2.898 2.616 3.062 . 0 0 "[ . 1 . 2]" 1
180 1 18 ILE MG 1 32 LEU HA . . 4.570 3.906 2.490 4.485 . 0 0 "[ . 1 . 2]" 1
181 1 18 ILE MG 1 32 LEU HB3 . . 4.080 3.094 2.198 4.088 0.008 14 0 "[ . 1 . 2]" 1
182 1 18 ILE MG 1 61 SER QB . . 2.840 1.903 1.614 2.292 . 0 0 "[ . 1 . 2]" 1
183 1 18 ILE MG 1 62 ALA H . . 4.070 3.288 2.846 3.708 . 0 0 "[ . 1 . 2]" 1
184 1 18 ILE MG 1 62 ALA HA . . 2.840 2.757 2.377 2.871 0.031 13 0 "[ . 1 . 2]" 1
185 1 18 ILE MG 1 62 ALA MB . . 3.800 3.113 2.250 3.764 . 0 0 "[ . 1 . 2]" 1
186 1 18 ILE MG 1 65 THR MG . . 3.120 3.039 2.504 3.133 0.013 14 0 "[ . 1 . 2]" 1
187 1 18 ILE MG 1 100 GLU HA . . 4.070 4.043 3.469 4.125 0.055 14 0 "[ . 1 . 2]" 1
188 1 18 ILE MG 1 101 ALA H . . 4.730 4.136 3.635 4.589 . 0 0 "[ . 1 . 2]" 1
189 1 19 THR H 1 19 THR HB . . 3.220 3.343 3.266 3.391 0.171 4 0 "[ . 1 . 2]" 1
190 1 19 THR H 1 19 THR MG . . 3.550 3.277 2.978 3.573 0.023 15 0 "[ . 1 . 2]" 1
191 1 19 THR H 1 20 ARG HA . . 5.400 5.017 4.823 5.353 . 0 0 "[ . 1 . 2]" 1
192 1 19 THR H 1 61 SER QB . . 5.130 3.798 2.878 4.871 . 0 0 "[ . 1 . 2]" 1
193 1 19 THR H 1 65 THR MG . . 4.350 3.613 2.458 4.366 0.016 3 0 "[ . 1 . 2]" 1
194 1 19 THR HA 1 19 THR MG . . 3.480 2.208 2.000 2.269 . 0 0 "[ . 1 . 2]" 1
195 1 19 THR HA 1 20 ARG H . . 3.170 2.221 2.160 2.351 . 0 0 "[ . 1 . 2]" 1
196 1 19 THR HA 1 100 GLU HA . . 4.530 2.967 2.385 3.500 . 0 0 "[ . 1 . 2]" 1
197 1 19 THR HA 1 101 ALA H . . 4.740 4.219 3.684 4.753 0.013 15 0 "[ . 1 . 2]" 1
198 1 19 THR HB 1 20 ARG H . . 3.650 3.394 2.930 3.653 0.003 8 0 "[ . 1 . 2]" 1
199 1 19 THR MG 1 20 ARG H . . 3.750 3.407 3.042 3.656 . 0 0 "[ . 1 . 2]" 1
200 1 19 THR MG 1 100 GLU HB2 . . 4.520 3.117 2.358 4.083 . 0 0 "[ . 1 . 2]" 1
201 1 19 THR MG 1 100 GLU HB3 . . 3.550 3.114 2.289 4.543 0.993 15 4 "[ - * 1 *+ 2]" 1
202 1 19 THR MG 1 100 GLU QG . . 3.560 3.010 1.783 3.573 0.013 19 0 "[ . 1 . 2]" 1
203 1 20 ARG H 1 20 ARG HB2 . . 3.550 2.510 2.031 3.549 . 0 0 "[ . 1 . 2]" 1
204 1 20 ARG H 1 20 ARG HB3 . . 3.660 2.749 2.421 3.495 . 0 0 "[ . 1 . 2]" 1
205 1 20 ARG H 1 20 ARG QG . . 4.000 3.779 2.502 4.022 0.022 15 0 "[ . 1 . 2]" 1
206 1 20 ARG H 1 32 LEU QD . . 4.760 3.647 2.837 4.197 . 0 0 "[ . 1 . 2]" 1
207 1 20 ARG H 1 100 GLU QG . . 5.200 4.296 2.131 5.114 . 0 0 "[ . 1 . 2]" 1
208 1 20 ARG HA 1 20 ARG QD . . 3.930 3.440 2.129 3.978 0.048 18 0 "[ . 1 . 2]" 1
209 1 20 ARG HA 1 20 ARG QG . . 3.500 2.346 1.972 3.370 . 0 0 "[ . 1 . 2]" 1
210 1 20 ARG HA 1 32 LEU QD . . 4.120 3.053 1.921 4.062 . 0 0 "[ . 1 . 2]" 1
211 1 20 ARG HB2 1 20 ARG QD . . 3.300 2.389 1.970 3.126 . 0 0 "[ . 1 . 2]" 1
212 1 20 ARG HB2 1 32 LEU QD . . 4.050 2.842 2.040 3.737 . 0 0 "[ . 1 . 2]" 1
213 1 20 ARG HB3 1 20 ARG QD . . 3.420 2.707 1.974 3.314 . 0 0 "[ . 1 . 2]" 1
214 1 20 ARG QD 1 32 LEU QD . . 3.790 2.768 1.862 3.757 . 0 0 "[ . 1 . 2]" 1
215 1 20 ARG QG 1 21 ASP H . . 3.880 3.080 2.079 3.871 . 0 0 "[ . 1 . 2]" 1
216 1 20 ARG QG 1 32 LEU QD . . 4.280 2.971 1.776 4.060 . 0 0 "[ . 1 . 2]" 1
217 1 21 ASP H 1 21 ASP HB2 . . 3.920 2.787 2.028 3.583 . 0 0 "[ . 1 . 2]" 1
218 1 21 ASP H 1 21 ASP HB3 . . 4.020 3.316 2.533 3.968 . 0 0 "[ . 1 . 2]" 1
219 1 23 LYS HA 1 23 LYS HB3 . . 3.020 2.875 2.672 3.029 0.009 16 0 "[ . 1 . 2]" 1
220 1 23 LYS HA 1 23 LYS HG2 . . 3.430 2.671 1.985 3.655 0.225 12 0 "[ . 1 . 2]" 1
221 1 23 LYS HA 1 23 LYS HG3 . . 3.900 2.577 1.983 3.497 . 0 0 "[ . 1 . 2]" 1
222 1 23 LYS HB3 1 23 LYS HG3 . . 2.910 2.866 2.598 3.056 0.146 18 0 "[ . 1 . 2]" 1
223 1 23 LYS HB3 1 24 ASP H . . 4.920 3.515 2.245 4.579 . 0 0 "[ . 1 . 2]" 1
224 1 23 LYS HE2 1 23 LYS HG2 . . 3.140 2.862 2.014 3.930 0.790 7 2 "[ . + 1 .- 2]" 1
225 1 26 THR HA 1 26 THR MG . . 3.300 2.748 2.307 3.243 . 0 0 "[ . 1 . 2]" 1
226 1 26 THR HB 1 27 VAL H . . 4.420 3.776 1.962 4.411 . 0 0 "[ . 1 . 2]" 1
227 1 27 VAL H 1 27 VAL MG1 . . 4.110 3.005 1.946 4.041 . 0 0 "[ . 1 . 2]" 1
228 1 27 VAL H 1 27 VAL MG2 . . 3.670 2.593 1.949 3.998 0.328 1 0 "[ . 1 . 2]" 1
229 1 27 VAL HA 1 27 VAL MG1 . . 3.660 2.511 2.099 3.203 . 0 0 "[ . 1 . 2]" 1
230 1 27 VAL HA 1 27 VAL MG2 . . 3.130 2.666 2.049 3.220 0.090 19 0 "[ . 1 . 2]" 1
231 1 32 LEU H 1 32 LEU QD . . 3.850 2.718 2.008 3.302 . 0 0 "[ . 1 . 2]" 1
232 1 32 LEU H 1 32 LEU HG . . 5.440 3.365 1.961 4.779 . 0 0 "[ . 1 . 2]" 1
233 1 32 LEU HA 1 32 LEU QD . . 3.050 2.271 1.900 2.881 . 0 0 "[ . 1 . 2]" 1
234 1 32 LEU HA 1 61 SER QB . . 3.630 2.854 2.107 3.515 . 0 0 "[ . 1 . 2]" 1
235 1 32 LEU HB2 1 32 LEU QD . . 2.960 2.139 2.015 2.309 . 0 0 "[ . 1 . 2]" 1
236 1 32 LEU HB2 1 33 GLY H . . 5.500 3.377 2.099 4.729 . 0 0 "[ . 1 . 2]" 1
237 1 32 LEU HB3 1 32 LEU QD . . 3.250 2.205 2.032 2.496 . 0 0 "[ . 1 . 2]" 1
238 1 32 LEU QD 1 61 SER QB . . 3.880 2.674 1.989 3.302 . 0 0 "[ . 1 . 2]" 1
239 1 32 LEU QD 1 77 TRP HH2 . . 3.180 2.490 1.983 3.098 . 0 0 "[ . 1 . 2]" 1
240 1 32 LEU QD 1 77 TRP HZ2 . . 3.420 2.737 1.996 3.256 . 0 0 "[ . 1 . 2]" 1
241 1 32 LEU QD 1 100 GLU HA . . 3.580 2.603 2.022 3.154 . 0 0 "[ . 1 . 2]" 1
242 1 32 LEU QD 1 101 ALA H . . 4.820 3.251 2.490 4.094 . 0 0 "[ . 1 . 2]" 1
243 1 32 LEU QD 1 101 ALA MB . . 3.110 2.261 1.734 3.046 . 0 0 "[ . 1 . 2]" 1
244 1 33 GLY H 1 34 ILE H . . 3.970 3.195 1.910 3.970 . 0 0 "[ . 1 . 2]" 1
245 1 33 GLY H 1 34 ILE MG . . 5.500 3.714 2.960 4.472 . 0 0 "[ . 1 . 2]" 1
246 1 33 GLY HA2 1 57 LEU HB2 . . 4.030 3.478 2.470 4.023 . 0 0 "[ . 1 . 2]" 1
247 1 33 GLY HA2 1 57 LEU HB3 . . 5.500 4.191 2.947 5.222 . 0 0 "[ . 1 . 2]" 1
248 1 33 GLY HA2 1 57 LEU QD . . 4.280 2.913 1.924 3.954 . 0 0 "[ . 1 . 2]" 1
249 1 33 GLY HA3 1 57 LEU HB2 . . 3.870 2.760 1.995 3.943 0.073 16 0 "[ . 1 . 2]" 1
250 1 33 GLY HA3 1 57 LEU HB3 . . 4.570 3.406 2.428 4.093 . 0 0 "[ . 1 . 2]" 1
251 1 33 GLY HA3 1 57 LEU QD . . 3.810 3.172 1.964 4.106 0.296 16 0 "[ . 1 . 2]" 1
252 1 34 ILE H 1 34 ILE HB . . 4.130 3.308 3.123 3.423 . 0 0 "[ . 1 . 2]" 1
253 1 34 ILE H 1 34 ILE MG . . 3.090 2.322 2.083 2.585 . 0 0 "[ . 1 . 2]" 1
254 1 34 ILE HA 1 34 ILE MD . . 4.110 3.501 3.381 3.731 . 0 0 "[ . 1 . 2]" 1
255 1 34 ILE HA 1 34 ILE HG12 . . 4.040 3.349 3.148 3.468 . 0 0 "[ . 1 . 2]" 1
256 1 34 ILE HA 1 34 ILE HG13 . . 3.380 2.308 2.233 2.426 . 0 0 "[ . 1 . 2]" 1
257 1 34 ILE HA 1 34 ILE MG . . 3.380 3.209 3.200 3.216 . 0 0 "[ . 1 . 2]" 1
258 1 34 ILE HA 1 35 ARG H . . 3.200 2.216 2.192 2.261 . 0 0 "[ . 1 . 2]" 1
259 1 34 ILE HA 1 56 ILE HA . . 3.740 3.167 2.523 3.739 . 0 0 "[ . 1 . 2]" 1
260 1 34 ILE HA 1 57 LEU H . . 5.020 3.074 2.608 4.355 . 0 0 "[ . 1 . 2]" 1
261 1 34 ILE HA 1 62 ALA MB . . 4.360 3.503 2.736 4.386 0.026 16 0 "[ . 1 . 2]" 1
262 1 34 ILE HB 1 34 ILE MD . . 3.000 2.065 1.964 2.210 . 0 0 "[ . 1 . 2]" 1
263 1 34 ILE HB 1 35 ARG H . . 4.450 4.236 4.121 4.317 . 0 0 "[ . 1 . 2]" 1
264 1 34 ILE HB 1 62 ALA H . . 5.000 3.972 2.901 4.984 . 0 0 "[ . 1 . 2]" 1
265 1 34 ILE HB 1 62 ALA MB . . 4.480 2.283 1.935 2.844 . 0 0 "[ . 1 . 2]" 1
266 1 34 ILE MD 1 35 ARG H . . 4.260 4.218 4.059 4.281 0.021 4 0 "[ . 1 . 2]" 1
267 1 34 ILE MD 1 62 ALA MB . . 3.190 1.938 1.699 2.259 . 0 0 "[ . 1 . 2]" 1
268 1 34 ILE HG12 1 35 ARG H . . 3.680 3.373 2.974 3.693 0.013 12 0 "[ . 1 . 2]" 1
269 1 34 ILE HG12 1 36 ILE MD . . 3.990 2.595 2.145 2.969 . 0 0 "[ . 1 . 2]" 1
270 1 34 ILE HG12 1 36 ILE HG12 . . 3.900 3.562 2.861 4.521 0.621 1 1 "[+ . 1 . 2]" 1
271 1 34 ILE HG13 1 35 ARG H . . 3.340 2.574 2.354 2.737 . 0 0 "[ . 1 . 2]" 1
272 1 34 ILE HG13 1 53 ILE MG . . 3.310 2.770 2.238 3.346 0.036 14 0 "[ . 1 . 2]" 1
273 1 34 ILE HG13 1 62 ALA MB . . 4.290 3.331 2.492 4.087 . 0 0 "[ . 1 . 2]" 1
274 1 34 ILE MG 1 35 ARG H . . 4.520 3.999 3.879 4.077 . 0 0 "[ . 1 . 2]" 1
275 1 34 ILE MG 1 35 ARG HA . . 4.110 4.055 3.810 4.149 0.039 16 0 "[ . 1 . 2]" 1
276 1 34 ILE MG 1 62 ALA MB . . 3.750 3.420 3.032 3.751 0.001 12 0 "[ . 1 . 2]" 1
277 1 35 ARG H 1 35 ARG HB2 . . 3.480 2.391 2.241 2.532 . 0 0 "[ . 1 . 2]" 1
278 1 35 ARG H 1 35 ARG HB3 . . 3.680 3.563 3.427 3.695 0.015 15 0 "[ . 1 . 2]" 1
279 1 35 ARG H 1 35 ARG HG2 . . 3.530 3.550 3.033 4.212 0.682 13 3 "[ *. 1 + .- 2]" 1
280 1 35 ARG H 1 35 ARG HG3 . . 4.730 3.815 3.077 4.354 . 0 0 "[ . 1 . 2]" 1
281 1 35 ARG H 1 55 LYS H . . 4.220 3.429 2.996 3.966 . 0 0 "[ . 1 . 2]" 1
282 1 35 ARG H 1 56 ILE HA . . 5.000 3.406 2.962 3.808 . 0 0 "[ . 1 . 2]" 1
283 1 35 ARG HA 1 54 ALA MB . . 4.510 4.461 4.143 4.523 0.013 11 0 "[ . 1 . 2]" 1
284 1 35 ARG HB2 1 35 ARG QD . . 3.880 3.077 2.489 3.447 . 0 0 "[ . 1 . 2]" 1
285 1 35 ARG HB2 1 54 ALA MB . . 3.450 3.268 3.008 3.462 0.012 7 0 "[ . 1 . 2]" 1
286 1 35 ARG HB2 1 55 LYS H . . 4.010 2.376 1.951 3.183 . 0 0 "[ . 1 . 2]" 1
287 1 35 ARG HB3 1 36 ILE H . . 5.220 3.742 3.364 3.885 . 0 0 "[ . 1 . 2]" 1
288 1 35 ARG HB3 1 54 ALA MB . . 3.490 2.536 2.019 2.860 . 0 0 "[ . 1 . 2]" 1
289 1 35 ARG HB3 1 55 LYS H . . 3.150 3.043 2.619 3.773 0.623 16 1 "[ . 1 .+ 2]" 1
290 1 35 ARG QD 1 54 ALA MB . . 4.320 3.779 3.225 4.279 . 0 0 "[ . 1 . 2]" 1
291 1 35 ARG HG2 1 36 ILE H . . 5.500 4.493 3.937 4.846 . 0 0 "[ . 1 . 2]" 1
292 1 36 ILE H 1 36 ILE HB . . 3.550 2.498 2.393 2.702 . 0 0 "[ . 1 . 2]" 1
293 1 36 ILE H 1 36 ILE HG13 . . 4.740 3.064 2.778 3.422 . 0 0 "[ . 1 . 2]" 1
294 1 36 ILE H 1 94 ILE MD . . 4.540 3.543 2.929 4.566 0.026 16 0 "[ . 1 . 2]" 1
295 1 36 ILE HA 1 36 ILE MD . . 3.940 3.806 3.723 3.911 . 0 0 "[ . 1 . 2]" 1
296 1 36 ILE HA 1 36 ILE HG12 . . 3.870 2.551 2.330 2.852 . 0 0 "[ . 1 . 2]" 1
297 1 36 ILE HA 1 36 ILE HG13 . . 3.980 2.766 2.420 2.993 . 0 0 "[ . 1 . 2]" 1
298 1 36 ILE HA 1 36 ILE MG . . 3.410 2.506 2.373 2.605 . 0 0 "[ . 1 . 2]" 1
299 1 36 ILE HA 1 37 VAL H . . 3.230 2.200 2.176 2.245 . 0 0 "[ . 1 . 2]" 1
300 1 36 ILE HA 1 52 TYR H . . 5.010 4.144 3.752 4.998 . 0 0 "[ . 1 . 2]" 1
301 1 36 ILE HA 1 53 ILE HA . . 3.400 2.375 2.047 2.903 . 0 0 "[ . 1 . 2]" 1
302 1 36 ILE HA 1 54 ALA H . . 4.010 2.364 1.966 2.765 . 0 0 "[ . 1 . 2]" 1
303 1 36 ILE HA 1 55 LYS H . . 4.640 4.514 4.235 4.675 0.035 16 0 "[ . 1 . 2]" 1
304 1 36 ILE HB 1 36 ILE MD . . 3.360 2.285 2.065 2.419 . 0 0 "[ . 1 . 2]" 1
305 1 36 ILE HB 1 37 VAL H . . 4.500 4.357 4.147 4.491 . 0 0 "[ . 1 . 2]" 1
306 1 36 ILE HB 1 94 ILE MD . . 3.020 2.082 1.903 2.934 . 0 0 "[ . 1 . 2]" 1
307 1 36 ILE HB 1 94 ILE MG . . 3.510 3.243 1.923 3.519 0.009 20 0 "[ . 1 . 2]" 1
308 1 36 ILE MD 1 36 ILE MG . . 3.040 2.054 1.938 2.515 . 0 0 "[ . 1 . 2]" 1
309 1 36 ILE MD 1 53 ILE HA . . 4.260 3.861 3.642 4.239 . 0 0 "[ . 1 . 2]" 1
310 1 36 ILE MD 1 53 ILE HG13 . . 4.420 3.158 2.796 3.794 . 0 0 "[ . 1 . 2]" 1
311 1 36 ILE MD 1 74 VAL HB . . 3.540 3.483 3.159 3.573 0.033 16 0 "[ . 1 . 2]" 1
312 1 36 ILE MD 1 74 VAL MG2 . . 4.470 2.024 1.883 2.392 . 0 0 "[ . 1 . 2]" 1
313 1 36 ILE MD 1 77 TRP HE3 . . 3.600 3.118 2.604 3.404 . 0 0 "[ . 1 . 2]" 1
314 1 36 ILE MD 1 77 TRP HZ3 . . 3.430 3.231 2.400 3.449 0.019 12 0 "[ . 1 . 2]" 1
315 1 36 ILE MD 1 94 ILE MD . . 3.150 2.333 1.899 3.164 0.014 16 0 "[ . 1 . 2]" 1
316 1 36 ILE MD 1 94 ILE MG . . 3.550 2.569 2.111 2.956 . 0 0 "[ . 1 . 2]" 1
317 1 36 ILE HG12 1 53 ILE HA . . 4.630 2.221 2.000 2.779 . 0 0 "[ . 1 . 2]" 1
318 1 36 ILE HG12 1 74 VAL MG2 . . 3.360 2.482 1.954 2.758 . 0 0 "[ . 1 . 2]" 1
319 1 36 ILE MG 1 37 VAL H . . 3.440 2.592 2.146 3.011 . 0 0 "[ . 1 . 2]" 1
320 1 36 ILE MG 1 38 GLY HA2 . . 4.560 3.993 3.772 4.595 0.035 14 0 "[ . 1 . 2]" 1
321 1 36 ILE MG 1 51 ALA HA . . 5.170 3.529 3.153 4.450 . 0 0 "[ . 1 . 2]" 1
322 1 36 ILE MG 1 51 ALA MB . . 3.200 2.094 1.865 2.812 . 0 0 "[ . 1 . 2]" 1
323 1 36 ILE MG 1 52 TYR H . . 3.770 2.576 1.905 3.813 0.043 14 0 "[ . 1 . 2]" 1
324 1 36 ILE MG 1 74 VAL HB . . 3.700 2.893 2.621 3.284 . 0 0 "[ . 1 . 2]" 1
325 1 36 ILE MG 1 74 VAL MG2 . . 2.860 2.361 1.849 2.843 . 0 0 "[ . 1 . 2]" 1
326 1 36 ILE MG 1 94 ILE MD . . 3.470 2.271 1.705 3.047 . 0 0 "[ . 1 . 2]" 1
327 1 37 VAL H 1 37 VAL HB . . 3.470 2.450 2.226 3.688 0.218 14 0 "[ . 1 . 2]" 1
328 1 37 VAL H 1 37 VAL QG . . 3.660 2.675 1.835 2.891 . 0 0 "[ . 1 . 2]" 1
329 1 37 VAL H 1 52 TYR H . . 3.910 2.916 2.610 3.351 . 0 0 "[ . 1 . 2]" 1
330 1 37 VAL H 1 53 ILE HA . . 4.350 3.843 3.291 4.202 . 0 0 "[ . 1 . 2]" 1
331 1 37 VAL H 1 54 ALA H . . 4.680 3.222 2.827 3.835 . 0 0 "[ . 1 . 2]" 1
332 1 37 VAL H 1 54 ALA MB . . 4.220 3.102 2.505 3.784 . 0 0 "[ . 1 . 2]" 1
333 1 37 VAL HA 1 37 VAL QG . . 3.160 2.093 1.993 2.382 . 0 0 "[ . 1 . 2]" 1
334 1 37 VAL HA 1 38 GLY H . . 2.940 2.261 2.181 2.961 0.021 16 0 "[ . 1 . 2]" 1
335 1 37 VAL HA 1 38 GLY HA3 . . 4.560 4.360 4.345 4.380 . 0 0 "[ . 1 . 2]" 1
336 1 37 VAL HA 1 87 TYR HA . . 4.200 4.003 3.754 4.213 0.013 14 0 "[ . 1 . 2]" 1
337 1 37 VAL HA 1 87 TYR QD . . 4.060 3.485 2.338 4.001 . 0 0 "[ . 1 . 2]" 1
338 1 37 VAL HA 1 87 TYR QE . . 4.050 3.520 2.695 4.036 . 0 0 "[ . 1 . 2]" 1
339 1 37 VAL HA 1 90 VAL MG1 . . 4.920 4.394 3.790 4.802 . 0 0 "[ . 1 . 2]" 1
340 1 37 VAL HB 1 38 GLY H . . 4.470 4.185 2.006 4.487 0.017 10 0 "[ . 1 . 2]" 1
341 1 37 VAL HB 1 52 TYR H . . 5.500 4.048 3.799 4.629 . 0 0 "[ . 1 . 2]" 1
342 1 37 VAL HB 1 52 TYR QD . . 4.540 3.791 3.380 4.259 . 0 0 "[ . 1 . 2]" 1
343 1 37 VAL HB 1 52 TYR QE . . 3.210 2.844 2.238 3.587 0.377 14 0 "[ . 1 . 2]" 1
344 1 37 VAL HB 1 87 TYR QE . . 5.420 4.418 1.986 5.120 . 0 0 "[ . 1 . 2]" 1
345 1 37 VAL QG 1 38 GLY H . . 3.670 2.694 2.225 2.984 . 0 0 "[ . 1 . 2]" 1
346 1 37 VAL QG 1 38 GLY HA2 . . 4.240 3.746 2.942 3.964 . 0 0 "[ . 1 . 2]" 1
347 1 37 VAL QG 1 40 LYS HB2 . . 4.660 2.658 2.348 3.151 . 0 0 "[ . 1 . 2]" 1
348 1 37 VAL QG 1 40 LYS HB3 . . 4.740 3.921 2.941 4.487 . 0 0 "[ . 1 . 2]" 1
349 1 37 VAL QG 1 40 LYS QE . . 4.390 3.688 2.894 4.250 . 0 0 "[ . 1 . 2]" 1
350 1 37 VAL QG 1 52 TYR H . . 5.500 3.888 1.733 4.345 . 0 0 "[ . 1 . 2]" 1
351 1 37 VAL QG 1 52 TYR QD . . 4.180 3.394 1.844 3.844 . 0 0 "[ . 1 . 2]" 1
352 1 37 VAL QG 1 52 TYR QE . . 3.190 2.231 1.839 2.783 . 0 0 "[ . 1 . 2]" 1
353 1 37 VAL QG 1 54 ALA H . . 4.540 3.635 2.489 4.208 . 0 0 "[ . 1 . 2]" 1
354 1 37 VAL QG 1 54 ALA MB . . 3.170 1.933 1.759 2.230 . 0 0 "[ . 1 . 2]" 1
355 1 37 VAL QG 1 87 TYR HB2 . . 5.130 3.657 3.273 4.725 . 0 0 "[ . 1 . 2]" 1
356 1 37 VAL QG 1 87 TYR QD . . 3.290 2.183 1.917 3.086 . 0 0 "[ . 1 . 2]" 1
357 1 37 VAL QG 1 87 TYR QE . . 3.310 2.022 1.857 2.397 . 0 0 "[ . 1 . 2]" 1
358 1 38 GLY H 1 39 GLY H . . 5.500 4.467 4.251 4.594 . 0 0 "[ . 1 . 2]" 1
359 1 38 GLY H 1 87 TYR HA . . 4.200 2.149 1.945 2.792 . 0 0 "[ . 1 . 2]" 1
360 1 38 GLY H 1 87 TYR QD . . 3.900 3.151 2.103 3.680 . 0 0 "[ . 1 . 2]" 1
361 1 38 GLY H 1 87 TYR QE . . 4.880 4.439 3.720 4.819 . 0 0 "[ . 1 . 2]" 1
362 1 38 GLY H 1 90 VAL HB . . 5.500 3.582 3.181 4.179 . 0 0 "[ . 1 . 2]" 1
363 1 38 GLY H 1 90 VAL MG1 . . 3.930 3.661 3.198 3.995 0.065 16 0 "[ . 1 . 2]" 1
364 1 38 GLY H 1 90 VAL MG2 . . 4.250 3.958 3.631 4.279 0.029 16 0 "[ . 1 . 2]" 1
365 1 38 GLY HA2 1 39 GLY H . . 3.610 2.584 2.242 2.819 . 0 0 "[ . 1 . 2]" 1
366 1 38 GLY HA2 1 51 ALA HA . . 3.090 2.015 1.986 2.134 . 0 0 "[ . 1 . 2]" 1
367 1 38 GLY HA2 1 51 ALA MB . . 3.150 2.332 1.946 2.614 . 0 0 "[ . 1 . 2]" 1
368 1 38 GLY HA2 1 52 TYR H . . 4.710 3.773 3.601 4.071 . 0 0 "[ . 1 . 2]" 1
369 1 38 GLY HA2 1 90 VAL MG1 . . 3.590 3.357 2.845 3.589 . 0 0 "[ . 1 . 2]" 1
370 1 38 GLY HA2 1 90 VAL MG2 . . 3.080 3.037 2.814 3.101 0.021 3 0 "[ . 1 . 2]" 1
371 1 38 GLY HA3 1 51 ALA HA . . 3.670 3.680 3.593 3.765 0.095 16 0 "[ . 1 . 2]" 1
372 1 38 GLY HA3 1 51 ALA MB . . 3.920 2.965 2.666 3.259 . 0 0 "[ . 1 . 2]" 1
373 1 38 GLY HA3 1 87 TYR HA . . 4.500 2.559 2.263 2.882 . 0 0 "[ . 1 . 2]" 1
374 1 38 GLY HA3 1 90 VAL HB . . 3.040 2.667 2.151 2.885 . 0 0 "[ . 1 . 2]" 1
375 1 38 GLY HA3 1 90 VAL MG1 . . 3.860 2.919 2.151 3.257 . 0 0 "[ . 1 . 2]" 1
376 1 38 GLY HA3 1 90 VAL MG2 . . 3.460 2.102 1.905 2.530 . 0 0 "[ . 1 . 2]" 1
377 1 39 GLY H 1 40 LYS H . . 3.750 2.730 2.005 3.088 . 0 0 "[ . 1 . 2]" 1
378 1 39 GLY H 1 49 ILE HB . . 5.390 3.690 3.314 3.946 . 0 0 "[ . 1 . 2]" 1
379 1 39 GLY H 1 49 ILE MD . . 4.470 3.933 3.460 4.351 . 0 0 "[ . 1 . 2]" 1
380 1 39 GLY H 1 51 ALA HA . . 4.500 3.985 3.359 4.422 . 0 0 "[ . 1 . 2]" 1
381 1 39 GLY H 1 51 ALA MB . . 4.940 3.920 3.583 4.172 . 0 0 "[ . 1 . 2]" 1
382 1 39 GLY H 1 90 VAL MG2 . . 4.450 3.087 2.790 3.709 . 0 0 "[ . 1 . 2]" 1
383 1 39 GLY HA2 1 49 ILE HB . . 3.720 2.198 1.993 2.454 . 0 0 "[ . 1 . 2]" 1
384 1 39 GLY HA2 1 49 ILE MD . . 3.230 2.259 1.982 2.649 . 0 0 "[ . 1 . 2]" 1
385 1 39 GLY HA2 1 49 ILE MG . . 3.780 3.111 2.876 3.347 . 0 0 "[ . 1 . 2]" 1
386 1 39 GLY HA2 1 87 TYR H . . 4.500 4.389 4.002 4.502 0.002 15 0 "[ . 1 . 2]" 1
387 1 39 GLY HA3 1 49 ILE HB . . 4.370 3.814 3.431 4.129 . 0 0 "[ . 1 . 2]" 1
388 1 39 GLY HA3 1 49 ILE MD . . 3.530 3.341 3.040 3.516 . 0 0 "[ . 1 . 2]" 1
389 1 39 GLY HA3 1 49 ILE MG . . 4.020 3.959 3.743 4.035 0.015 11 0 "[ . 1 . 2]" 1
390 1 39 GLY HA3 1 87 TYR H . . 3.870 2.957 2.300 3.348 . 0 0 "[ . 1 . 2]" 1
391 1 39 GLY HA3 1 87 TYR HB2 . . 4.540 4.128 3.682 4.336 . 0 0 "[ . 1 . 2]" 1
392 1 40 LYS H 1 40 LYS HB2 . . 3.430 2.629 2.273 2.933 . 0 0 "[ . 1 . 2]" 1
393 1 40 LYS H 1 40 LYS HB3 . . 3.340 2.865 2.541 3.151 . 0 0 "[ . 1 . 2]" 1
394 1 40 LYS H 1 40 LYS QD . . 5.500 4.417 3.859 4.804 . 0 0 "[ . 1 . 2]" 1
395 1 40 LYS H 1 40 LYS HG2 . . 5.150 4.616 4.220 4.939 . 0 0 "[ . 1 . 2]" 1
396 1 40 LYS H 1 40 LYS HG3 . . 4.650 4.530 4.387 4.664 0.014 13 0 "[ . 1 . 2]" 1
397 1 40 LYS H 1 49 ILE HB . . 4.180 3.289 2.676 4.022 . 0 0 "[ . 1 . 2]" 1
398 1 40 LYS H 1 49 ILE MG . . 4.390 3.840 3.445 4.395 0.005 14 0 "[ . 1 . 2]" 1
399 1 40 LYS H 1 50 GLY H . . 3.920 2.516 1.960 3.529 . 0 0 "[ . 1 . 2]" 1
400 1 40 LYS H 1 51 ALA HA . . 5.500 3.791 3.382 4.142 . 0 0 "[ . 1 . 2]" 1
401 1 40 LYS HA 1 40 LYS QD . . 3.930 2.884 2.056 3.611 . 0 0 "[ . 1 . 2]" 1
402 1 40 LYS HA 1 40 LYS HG2 . . 3.830 2.896 1.987 3.707 . 0 0 "[ . 1 . 2]" 1
403 1 40 LYS HA 1 40 LYS HG3 . . 4.220 2.766 2.207 3.320 . 0 0 "[ . 1 . 2]" 1
404 1 40 LYS HA 1 41 GLU H . . 3.080 2.235 2.193 2.297 . 0 0 "[ . 1 . 2]" 1
405 1 40 LYS HA 1 41 GLU QB . . 4.270 4.051 4.009 4.222 . 0 0 "[ . 1 . 2]" 1
406 1 40 LYS HA 1 49 ILE MG . . 4.120 3.546 3.207 3.881 . 0 0 "[ . 1 . 2]" 1
407 1 40 LYS HB2 1 40 LYS QE . . 4.430 3.923 3.157 4.172 . 0 0 "[ . 1 . 2]" 1
408 1 40 LYS HB2 1 52 TYR QD . . 3.970 2.887 2.503 3.206 . 0 0 "[ . 1 . 2]" 1
409 1 40 LYS HB2 1 52 TYR QE . . 3.440 2.500 2.002 3.134 . 0 0 "[ . 1 . 2]" 1
410 1 40 LYS HB3 1 40 LYS HG3 . . 3.040 2.765 2.581 2.922 . 0 0 "[ . 1 . 2]" 1
411 1 40 LYS HB3 1 41 GLU H . . 3.940 3.884 3.748 3.933 . 0 0 "[ . 1 . 2]" 1
412 1 40 LYS HB3 1 52 TYR QD . . 4.020 2.491 2.107 2.853 . 0 0 "[ . 1 . 2]" 1
413 1 40 LYS HB3 1 52 TYR QE . . 3.290 3.123 2.722 3.293 0.003 16 0 "[ . 1 . 2]" 1
414 1 40 LYS QD 1 41 GLU H . . 4.470 3.403 2.732 4.247 . 0 0 "[ . 1 . 2]" 1
415 1 40 LYS QD 1 52 TYR QE . . 3.270 2.372 1.987 3.213 . 0 0 "[ . 1 . 2]" 1
416 1 40 LYS QE 1 40 LYS HG2 . . 2.990 2.485 1.962 2.963 . 0 0 "[ . 1 . 2]" 1
417 1 40 LYS QE 1 40 LYS HG3 . . 3.490 2.464 2.114 3.145 . 0 0 "[ . 1 . 2]" 1
418 1 40 LYS QE 1 52 TYR QE . . 3.990 2.880 2.181 3.809 . 0 0 "[ . 1 . 2]" 1
419 1 40 LYS HG2 1 41 GLU H . . 4.020 3.460 2.562 4.217 0.197 8 0 "[ . 1 . 2]" 1
420 1 40 LYS HG2 1 52 TYR QD . . 5.060 3.962 2.762 5.068 0.008 16 0 "[ . 1 . 2]" 1
421 1 40 LYS HG2 1 52 TYR QE . . 4.910 2.984 2.174 4.152 . 0 0 "[ . 1 . 2]" 1
422 1 40 LYS HG3 1 41 GLU H . . 4.660 3.279 2.073 4.536 . 0 0 "[ . 1 . 2]" 1
423 1 40 LYS HG3 1 52 TYR QD . . 4.750 4.218 3.744 4.756 0.006 9 0 "[ . 1 . 2]" 1
424 1 40 LYS HG3 1 52 TYR QE . . 4.940 3.037 2.002 4.228 . 0 0 "[ . 1 . 2]" 1
425 1 41 GLU H 1 41 GLU QB . . 2.920 2.064 2.006 2.136 . 0 0 "[ . 1 . 2]" 1
426 1 41 GLU H 1 41 GLU QG . . 4.090 3.648 2.911 3.829 . 0 0 "[ . 1 . 2]" 1
427 1 41 GLU H 1 42 ILE H . . 5.080 4.616 4.556 4.668 . 0 0 "[ . 1 . 2]" 1
428 1 41 GLU H 1 49 ILE MG . . 5.080 3.371 2.916 3.869 . 0 0 "[ . 1 . 2]" 1
429 1 41 GLU HA 1 41 GLU QG . . 3.790 2.111 1.992 2.241 . 0 0 "[ . 1 . 2]" 1
430 1 41 GLU HA 1 42 ILE H . . 2.910 2.263 2.215 2.373 . 0 0 "[ . 1 . 2]" 1
431 1 41 GLU HA 1 42 ILE HG13 . . 3.750 3.433 3.206 3.785 0.035 19 0 "[ . 1 . 2]" 1
432 1 41 GLU HA 1 49 ILE H . . 5.100 4.690 4.272 5.164 0.064 19 0 "[ . 1 . 2]" 1
433 1 41 GLU HA 1 49 ILE HA . . 3.320 2.398 1.998 2.692 . 0 0 "[ . 1 . 2]" 1
434 1 41 GLU HA 1 49 ILE MG . . 3.310 2.333 1.982 2.719 . 0 0 "[ . 1 . 2]" 1
435 1 41 GLU HA 1 50 GLY H . . 4.420 4.017 3.652 4.306 . 0 0 "[ . 1 . 2]" 1
436 1 41 GLU QB 1 42 ILE H . . 3.820 3.515 2.997 3.757 . 0 0 "[ . 1 . 2]" 1
437 1 41 GLU QB 1 49 ILE MG . . 3.670 3.514 3.190 3.673 0.003 12 0 "[ . 1 . 2]" 1
438 1 41 GLU QG 1 42 ILE H . . 4.250 2.821 2.154 3.632 . 0 0 "[ . 1 . 2]" 1
439 1 41 GLU QG 1 48 GLU H . . 4.120 3.389 2.653 3.976 . 0 0 "[ . 1 . 2]" 1
440 1 41 GLU QG 1 49 ILE MG . . 3.820 2.839 2.066 3.361 . 0 0 "[ . 1 . 2]" 1
441 1 42 ILE H 1 42 ILE HB . . 3.280 2.491 2.323 2.629 . 0 0 "[ . 1 . 2]" 1
442 1 42 ILE H 1 42 ILE MD . . 3.930 3.367 3.020 3.878 . 0 0 "[ . 1 . 2]" 1
443 1 42 ILE H 1 42 ILE HG12 . . 3.760 3.716 3.592 3.770 0.010 10 0 "[ . 1 . 2]" 1
444 1 42 ILE H 1 42 ILE HG13 . . 3.110 2.328 2.109 2.582 . 0 0 "[ . 1 . 2]" 1
445 1 42 ILE H 1 42 ILE MG . . 4.040 3.767 3.691 3.835 . 0 0 "[ . 1 . 2]" 1
446 1 42 ILE H 1 45 HIS HB2 . . 5.500 4.471 3.889 5.222 . 0 0 "[ . 1 . 2]" 1
447 1 42 ILE H 1 49 ILE HA . . 3.960 3.256 2.806 3.652 . 0 0 "[ . 1 . 2]" 1
448 1 42 ILE H 1 49 ILE MG . . 4.180 4.042 3.469 4.188 0.008 14 0 "[ . 1 . 2]" 1
449 1 42 ILE H 1 50 GLY H . . 5.040 4.574 3.564 4.982 . 0 0 "[ . 1 . 2]" 1
450 1 42 ILE HA 1 42 ILE MD . . 3.900 3.897 3.845 3.920 0.020 3 0 "[ . 1 . 2]" 1
451 1 42 ILE HA 1 42 ILE HG12 . . 3.700 2.761 2.596 2.856 . 0 0 "[ . 1 . 2]" 1
452 1 42 ILE HA 1 42 ILE HG13 . . 3.440 2.867 2.600 3.075 . 0 0 "[ . 1 . 2]" 1
453 1 42 ILE HA 1 42 ILE MG . . 3.180 2.417 2.341 2.534 . 0 0 "[ . 1 . 2]" 1
454 1 42 ILE HA 1 43 PRO HD2 . . 2.750 2.435 2.221 2.540 . 0 0 "[ . 1 . 2]" 1
455 1 42 ILE HA 1 43 PRO HD3 . . 2.960 1.929 1.909 2.009 . 0 0 "[ . 1 . 2]" 1
456 1 42 ILE HA 1 111 MET ME . . 3.450 2.484 1.986 3.189 . 0 0 "[ . 1 . 2]" 1
457 1 42 ILE HB 1 45 HIS HB2 . . 3.240 2.424 1.995 3.741 0.501 19 1 "[ . 1 . +2]" 1
458 1 42 ILE HB 1 45 HIS HB3 . . 3.710 3.162 2.561 3.708 . 0 0 "[ . 1 . 2]" 1
459 1 42 ILE HB 1 48 GLU H . . 4.780 3.877 3.255 4.761 . 0 0 "[ . 1 . 2]" 1
460 1 42 ILE HB 1 48 GLU QB . . 3.820 3.520 3.044 3.848 0.028 19 0 "[ . 1 . 2]" 1
461 1 42 ILE MD 1 45 HIS HB2 . . 4.030 3.076 2.537 3.764 . 0 0 "[ . 1 . 2]" 1
462 1 42 ILE MD 1 48 GLU QB . . 3.140 2.556 2.029 3.089 . 0 0 "[ . 1 . 2]" 1
463 1 42 ILE MD 1 48 GLU HG2 . . 3.910 3.468 2.955 3.875 . 0 0 "[ . 1 . 2]" 1
464 1 42 ILE MD 1 48 GLU HG3 . . 3.790 3.377 2.616 3.932 0.142 10 0 "[ . 1 . 2]" 1
465 1 42 ILE MD 1 50 GLY H . . 4.180 3.403 2.954 3.956 . 0 0 "[ . 1 . 2]" 1
466 1 42 ILE MD 1 50 GLY HA3 . . 3.620 2.285 1.970 2.951 . 0 0 "[ . 1 . 2]" 1
467 1 42 ILE MD 1 51 ALA H . . 5.500 4.107 3.601 5.001 . 0 0 "[ . 1 . 2]" 1
468 1 42 ILE MD 1 73 GLN HE21 . . 3.950 2.676 2.110 3.416 . 0 0 "[ . 1 . 2]" 1
469 1 42 ILE MD 1 73 GLN HE22 . . 3.740 2.525 1.914 3.600 . 0 0 "[ . 1 . 2]" 1
470 1 42 ILE MD 1 73 GLN HG3 . . 4.230 3.620 3.147 4.033 . 0 0 "[ . 1 . 2]" 1
471 1 42 ILE MD 1 111 MET ME . . 3.900 3.556 2.960 3.894 . 0 0 "[ . 1 . 2]" 1
472 1 42 ILE HG12 1 42 ILE MG . . 3.560 2.266 2.165 2.411 . 0 0 "[ . 1 . 2]" 1
473 1 42 ILE HG12 1 50 GLY H . . 5.380 3.932 2.924 4.915 . 0 0 "[ . 1 . 2]" 1
474 1 42 ILE HG12 1 111 MET ME . . 3.930 2.266 1.949 2.726 . 0 0 "[ . 1 . 2]" 1
475 1 42 ILE HG13 1 49 ILE HA . . 4.140 2.959 2.315 3.324 . 0 0 "[ . 1 . 2]" 1
476 1 42 ILE HG13 1 50 GLY H . . 4.240 3.067 2.128 3.807 . 0 0 "[ . 1 . 2]" 1
477 1 42 ILE MG 1 43 PRO HD2 . . 3.330 1.990 1.774 2.698 . 0 0 "[ . 1 . 2]" 1
478 1 42 ILE MG 1 43 PRO HD3 . . 3.660 3.041 2.803 3.632 . 0 0 "[ . 1 . 2]" 1
479 1 42 ILE MG 1 45 HIS HB2 . . 3.480 2.770 2.146 4.116 0.636 19 2 "[ . - . +2]" 1
480 1 42 ILE MG 1 45 HIS HB3 . . 4.400 3.814 2.599 4.402 0.002 17 0 "[ . 1 . 2]" 1
481 1 42 ILE MG 1 45 HIS HD2 . . 3.600 3.221 2.442 3.644 0.044 19 0 "[ . 1 . 2]" 1
482 1 42 ILE MG 1 73 GLN HB2 . . 3.590 3.522 3.304 3.597 0.007 3 0 "[ . 1 . 2]" 1
483 1 42 ILE MG 1 111 MET ME . . 3.730 2.681 2.110 3.366 . 0 0 "[ . 1 . 2]" 1
484 1 42 ILE MG 1 111 MET QG . . 4.430 3.605 2.379 4.390 . 0 0 "[ . 1 . 2]" 1
485 1 43 PRO HD2 1 109 LEU QD . . 4.080 2.452 1.933 3.374 . 0 0 "[ . 1 . 2]" 1
486 1 43 PRO HD2 1 111 MET HA . . 5.500 4.288 2.769 5.457 . 0 0 "[ . 1 . 2]" 1
487 1 43 PRO HD2 1 111 MET ME . . 4.350 3.152 2.316 4.355 0.005 8 0 "[ . 1 . 2]" 1
488 1 43 PRO HD3 1 111 MET ME . . 4.260 2.910 2.118 4.127 . 0 0 "[ . 1 . 2]" 1
489 1 43 PRO HG2 1 109 LEU QD . . 3.560 2.268 1.855 2.994 . 0 0 "[ . 1 . 2]" 1
490 1 43 PRO HG3 1 111 MET HA . . 3.770 2.569 2.006 3.646 . 0 0 "[ . 1 . 2]" 1
491 1 45 HIS HA 1 45 HIS HD2 . . 3.750 3.473 2.898 3.944 0.194 19 0 "[ . 1 . 2]" 1
492 1 45 HIS HA 1 46 SER H . . 3.170 2.527 2.256 2.847 . 0 0 "[ . 1 . 2]" 1
493 1 45 HIS HB2 1 48 GLU H . . 5.270 4.006 3.553 4.795 . 0 0 "[ . 1 . 2]" 1
494 1 45 HIS HB2 1 48 GLU QB . . 3.600 3.257 2.595 3.576 . 0 0 "[ . 1 . 2]" 1
495 1 45 HIS HB3 1 48 GLU H . . 4.950 3.353 2.654 4.705 . 0 0 "[ . 1 . 2]" 1
496 1 45 HIS HB3 1 48 GLU QB . . 3.400 2.468 1.981 3.626 0.226 19 0 "[ . 1 . 2]" 1
497 1 46 SER HA 1 47 GLY H . . 3.550 2.818 2.220 3.638 0.088 9 0 "[ . 1 . 2]" 1
498 1 46 SER QB 1 47 GLY H . . 5.200 3.467 1.911 4.026 . 0 0 "[ . 1 . 2]" 1
499 1 46 SER QB 1 48 GLU H . . 5.500 5.226 4.092 5.544 0.044 10 0 "[ . 1 . 2]" 1
500 1 47 GLY H 1 48 GLU H . . 3.830 3.158 2.498 3.600 . 0 0 "[ . 1 . 2]" 1
501 1 48 GLU H 1 48 GLU QB . . 3.000 2.635 2.413 2.862 . 0 0 "[ . 1 . 2]" 1
502 1 48 GLU H 1 49 ILE H . . 5.100 4.368 4.150 4.536 . 0 0 "[ . 1 . 2]" 1
503 1 48 GLU HA 1 48 GLU HG2 . . 3.830 3.687 3.561 3.777 . 0 0 "[ . 1 . 2]" 1
504 1 48 GLU HA 1 48 GLU HG3 . . 3.900 2.717 2.275 3.060 . 0 0 "[ . 1 . 2]" 1
505 1 48 GLU HA 1 49 ILE H . . 3.010 2.392 2.275 3.034 0.024 19 0 "[ . 1 . 2]" 1
506 1 48 GLU QB 1 48 GLU HG2 . . 2.740 2.197 2.180 2.207 . 0 0 "[ . 1 . 2]" 1
507 1 48 GLU QB 1 49 ILE H . . 3.690 3.408 1.940 3.686 . 0 0 "[ . 1 . 2]" 1
508 1 48 GLU QB 1 83 THR MG . . 4.320 3.931 3.464 4.331 0.011 13 0 "[ . 1 . 2]" 1
509 1 48 GLU HG2 1 49 ILE H . . 4.410 3.765 2.874 4.156 . 0 0 "[ . 1 . 2]" 1
510 1 48 GLU HG2 1 83 THR MG . . 3.860 2.882 2.250 3.552 . 0 0 "[ . 1 . 2]" 1
511 1 48 GLU HG3 1 49 ILE H . . 3.960 2.196 1.984 2.637 . 0 0 "[ . 1 . 2]" 1
512 1 48 GLU HG3 1 83 THR MG . . 3.720 3.144 2.735 3.859 0.139 15 0 "[ . 1 . 2]" 1
513 1 49 ILE H 1 49 ILE HB . . 3.950 3.590 3.521 3.878 . 0 0 "[ . 1 . 2]" 1
514 1 49 ILE H 1 49 ILE MD . . 4.190 3.697 3.608 4.267 0.077 19 0 "[ . 1 . 2]" 1
515 1 49 ILE H 1 49 ILE HG12 . . 3.640 2.198 1.945 3.412 . 0 0 "[ . 1 . 2]" 1
516 1 49 ILE H 1 49 ILE HG13 . . 3.430 2.310 1.999 2.759 . 0 0 "[ . 1 . 2]" 1
517 1 49 ILE H 1 49 ILE MG . . 3.740 3.036 2.709 3.746 0.006 10 0 "[ . 1 . 2]" 1
518 1 49 ILE H 1 83 THR MG . . 4.920 4.353 3.128 4.937 0.017 11 0 "[ . 1 . 2]" 1
519 1 49 ILE H 1 84 SER HA . . 4.190 3.695 3.208 4.210 0.020 14 0 "[ . 1 . 2]" 1
520 1 49 ILE HA 1 49 ILE MG . . 3.200 2.071 1.950 2.249 . 0 0 "[ . 1 . 2]" 1
521 1 49 ILE HA 1 50 GLY H . . 3.230 2.354 2.197 2.603 . 0 0 "[ . 1 . 2]" 1
522 1 49 ILE HB 1 50 GLY H . . 3.620 2.810 2.207 3.437 . 0 0 "[ . 1 . 2]" 1
523 1 49 ILE MD 1 84 SER HA . . 3.090 2.783 2.177 3.118 0.028 15 0 "[ . 1 . 2]" 1
524 1 49 ILE MD 1 85 LYS H . . 4.860 3.128 2.583 3.886 . 0 0 "[ . 1 . 2]" 1
525 1 49 ILE MD 1 86 THR MG . . 3.890 3.216 2.795 3.588 . 0 0 "[ . 1 . 2]" 1
526 1 49 ILE HG12 1 49 ILE MG . . 3.470 2.201 2.007 2.352 . 0 0 "[ . 1 . 2]" 1
527 1 49 ILE HG12 1 50 GLY H . . 5.500 5.185 4.791 5.512 0.012 10 0 "[ . 1 . 2]" 1
528 1 49 ILE HG12 1 84 SER HA . . 3.530 3.462 3.176 3.593 0.063 15 0 "[ . 1 . 2]" 1
529 1 49 ILE HG13 1 49 ILE MG . . 3.420 3.198 3.074 3.231 . 0 0 "[ . 1 . 2]" 1
530 1 49 ILE HG13 1 84 SER H . . 5.500 2.910 2.349 3.550 . 0 0 "[ . 1 . 2]" 1
531 1 49 ILE HG13 1 84 SER HA . . 3.460 2.149 1.960 2.564 . 0 0 "[ . 1 . 2]" 1
532 1 49 ILE MG 1 50 GLY H . . 3.770 3.572 3.388 3.760 . 0 0 "[ . 1 . 2]" 1
533 1 50 GLY H 1 51 ALA H . . 5.500 4.227 3.824 4.352 . 0 0 "[ . 1 . 2]" 1
534 1 50 GLY H 1 111 MET ME . . 4.100 3.834 3.216 4.104 0.004 16 0 "[ . 1 . 2]" 1
535 1 50 GLY HA3 1 51 ALA H . . 3.450 2.388 2.204 2.520 . 0 0 "[ . 1 . 2]" 1
536 1 50 GLY HA3 1 83 THR HA . . 4.280 3.270 2.879 3.621 . 0 0 "[ . 1 . 2]" 1
537 1 50 GLY HA3 1 83 THR MG . . 4.290 3.505 2.526 4.063 . 0 0 "[ . 1 . 2]" 1
538 1 50 GLY HA3 1 111 MET ME . . 4.260 3.838 2.927 4.270 0.010 20 0 "[ . 1 . 2]" 1
539 1 51 ALA H 1 51 ALA MB . . 3.380 2.460 2.294 2.716 . 0 0 "[ . 1 . 2]" 1
540 1 51 ALA H 1 52 TYR H . . 5.500 4.428 4.304 4.498 . 0 0 "[ . 1 . 2]" 1
541 1 51 ALA H 1 111 MET ME . . 5.160 4.033 3.274 4.619 . 0 0 "[ . 1 . 2]" 1
542 1 51 ALA HA 1 52 TYR H . . 2.980 2.311 2.242 2.459 . 0 0 "[ . 1 . 2]" 1
543 1 51 ALA HA 1 52 TYR QD . . 4.210 3.173 2.916 3.584 . 0 0 "[ . 1 . 2]" 1
544 1 51 ALA HA 1 90 VAL MG1 . . 5.350 3.982 3.700 4.260 . 0 0 "[ . 1 . 2]" 1
545 1 51 ALA HA 1 111 MET ME . . 4.680 4.147 3.309 4.563 . 0 0 "[ . 1 . 2]" 1
546 1 51 ALA MB 1 52 TYR H . . 3.370 2.884 2.657 3.082 . 0 0 "[ . 1 . 2]" 1
547 1 51 ALA MB 1 74 VAL H . . 5.100 3.735 3.145 4.514 . 0 0 "[ . 1 . 2]" 1
548 1 51 ALA MB 1 74 VAL HB . . 3.420 2.538 1.991 3.164 . 0 0 "[ . 1 . 2]" 1
549 1 51 ALA MB 1 82 LEU HA . . 4.260 4.101 3.770 4.307 0.047 11 0 "[ . 1 . 2]" 1
550 1 51 ALA MB 1 82 LEU HB2 . . 3.810 2.323 1.973 2.714 . 0 0 "[ . 1 . 2]" 1
551 1 51 ALA MB 1 82 LEU HB3 . . 3.960 2.335 1.891 3.703 . 0 0 "[ . 1 . 2]" 1
552 1 51 ALA MB 1 82 LEU QD . . 3.050 2.031 1.675 2.414 . 0 0 "[ . 1 . 2]" 1
553 1 51 ALA MB 1 90 VAL MG1 . . 3.250 2.024 1.861 2.532 . 0 0 "[ . 1 . 2]" 1
554 1 52 TYR H 1 52 TYR HB3 . . 4.020 3.053 2.836 3.235 . 0 0 "[ . 1 . 2]" 1
555 1 52 TYR H 1 52 TYR QD . . 3.350 2.481 2.181 2.833 . 0 0 "[ . 1 . 2]" 1
556 1 52 TYR H 1 53 ILE H . . 4.620 4.377 4.237 4.438 . 0 0 "[ . 1 . 2]" 1
557 1 52 TYR H 1 111 MET ME . . 4.470 4.166 3.581 4.475 0.005 20 0 "[ . 1 . 2]" 1
558 1 52 TYR HA 1 52 TYR QD . . 4.170 3.761 3.726 3.773 . 0 0 "[ . 1 . 2]" 1
559 1 52 TYR HA 1 53 ILE H . . 3.210 2.349 2.260 2.466 . 0 0 "[ . 1 . 2]" 1
560 1 52 TYR HA 1 53 ILE HG13 . . 3.980 3.683 3.448 3.897 . 0 0 "[ . 1 . 2]" 1
561 1 52 TYR HA 1 73 GLN HA . . 3.350 2.478 2.014 3.114 . 0 0 "[ . 1 . 2]" 1
562 1 52 TYR HA 1 74 VAL H . . 3.170 2.075 1.947 2.590 . 0 0 "[ . 1 . 2]" 1
563 1 52 TYR HA 1 74 VAL MG2 . . 3.350 2.212 1.973 2.417 . 0 0 "[ . 1 . 2]" 1
564 1 52 TYR HB2 1 53 ILE H . . 3.700 2.944 2.641 3.286 . 0 0 "[ . 1 . 2]" 1
565 1 52 TYR HB2 1 74 VAL MG2 . . 4.420 4.187 3.727 4.465 0.045 16 0 "[ . 1 . 2]" 1
566 1 52 TYR HB2 1 111 MET HB2 . . 3.830 3.163 2.279 3.731 . 0 0 "[ . 1 . 2]" 1
567 1 52 TYR HB2 1 111 MET ME . . 3.790 3.201 2.508 3.756 . 0 0 "[ . 1 . 2]" 1
568 1 52 TYR HB3 1 53 ILE H . . 4.260 4.176 3.998 4.387 0.127 14 0 "[ . 1 . 2]" 1
569 1 52 TYR HB3 1 111 MET HB2 . . 4.340 4.005 2.929 4.340 0.000 18 0 "[ . 1 . 2]" 1
570 1 52 TYR HB3 1 111 MET ME . . 3.220 2.053 1.900 2.331 . 0 0 "[ . 1 . 2]" 1
571 1 52 TYR HB3 1 111 MET QG . . 3.860 3.179 2.229 3.862 0.002 6 0 "[ . 1 . 2]" 1
572 1 52 TYR QD 1 53 ILE H . . 4.330 3.476 3.042 3.764 . 0 0 "[ . 1 . 2]" 1
573 1 52 TYR QD 1 53 ILE HA . . 4.690 4.536 4.246 4.704 0.014 14 0 "[ . 1 . 2]" 1
574 1 52 TYR QD 1 54 ALA HA . . 3.750 3.441 2.982 3.720 . 0 0 "[ . 1 . 2]" 1
575 1 52 TYR QD 1 54 ALA MB . . 4.700 4.297 4.088 4.559 . 0 0 "[ . 1 . 2]" 1
576 1 52 TYR QD 1 71 GLY H . . 4.260 3.132 2.459 3.702 . 0 0 "[ . 1 . 2]" 1
577 1 52 TYR QD 1 71 GLY HA2 . . 3.630 2.580 1.996 3.246 . 0 0 "[ . 1 . 2]" 1
578 1 52 TYR QD 1 111 MET ME . . 3.680 2.905 2.232 3.505 . 0 0 "[ . 1 . 2]" 1
579 1 52 TYR QE 1 54 ALA HA . . 3.260 2.421 2.002 2.894 . 0 0 "[ . 1 . 2]" 1
580 1 52 TYR QE 1 54 ALA MB . . 3.740 3.371 3.034 3.636 . 0 0 "[ . 1 . 2]" 1
581 1 53 ILE H 1 53 ILE HB . . 3.380 2.368 2.297 2.431 . 0 0 "[ . 1 . 2]" 1
582 1 53 ILE H 1 53 ILE MD . . 3.940 3.081 2.425 3.626 . 0 0 "[ . 1 . 2]" 1
583 1 53 ILE H 1 53 ILE HG12 . . 3.890 3.644 3.232 3.881 . 0 0 "[ . 1 . 2]" 1
584 1 53 ILE H 1 53 ILE HG13 . . 3.550 2.260 1.997 2.513 . 0 0 "[ . 1 . 2]" 1
585 1 53 ILE H 1 71 GLY H . . 5.220 4.061 3.286 4.601 . 0 0 "[ . 1 . 2]" 1
586 1 53 ILE H 1 72 MET H . . 4.900 3.370 2.660 4.468 . 0 0 "[ . 1 . 2]" 1
587 1 53 ILE H 1 73 GLN HA . . 4.990 3.907 3.592 4.576 . 0 0 "[ . 1 . 2]" 1
588 1 53 ILE H 1 74 VAL H . . 4.890 3.906 3.483 4.500 . 0 0 "[ . 1 . 2]" 1
589 1 53 ILE H 1 74 VAL MG2 . . 3.680 2.637 2.206 3.063 . 0 0 "[ . 1 . 2]" 1
590 1 53 ILE HA 1 53 ILE MD . . 4.200 3.830 3.750 3.892 . 0 0 "[ . 1 . 2]" 1
591 1 53 ILE HA 1 53 ILE HG12 . . 3.890 2.768 2.408 3.090 . 0 0 "[ . 1 . 2]" 1
592 1 53 ILE HA 1 53 ILE HG13 . . 3.890 2.677 2.428 3.054 . 0 0 "[ . 1 . 2]" 1
593 1 53 ILE HA 1 53 ILE MG . . 2.860 2.460 2.332 2.566 . 0 0 "[ . 1 . 2]" 1
594 1 53 ILE HA 1 54 ALA H . . 2.800 2.189 2.176 2.243 . 0 0 "[ . 1 . 2]" 1
595 1 53 ILE HA 1 54 ALA MB . . 4.180 3.934 3.882 4.001 . 0 0 "[ . 1 . 2]" 1
596 1 53 ILE HA 1 55 LYS H . . 4.060 4.077 4.059 4.097 0.037 5 0 "[ . 1 . 2]" 1
597 1 53 ILE HA 1 71 GLY H . . 5.500 4.908 4.446 5.359 . 0 0 "[ . 1 . 2]" 1
598 1 53 ILE HA 1 74 VAL MG2 . . 4.310 3.618 3.208 3.934 . 0 0 "[ . 1 . 2]" 1
599 1 53 ILE HB 1 53 ILE MD . . 3.080 2.150 1.989 2.347 . 0 0 "[ . 1 . 2]" 1
600 1 53 ILE HB 1 70 GLU HA . . 3.470 2.691 2.143 3.241 . 0 0 "[ . 1 . 2]" 1
601 1 53 ILE HB 1 71 GLY H . . 3.510 3.151 2.616 3.523 0.013 13 0 "[ . 1 . 2]" 1
602 1 53 ILE HB 1 72 MET H . . 3.320 2.681 2.270 3.315 . 0 0 "[ . 1 . 2]" 1
603 1 53 ILE HB 1 74 VAL MG2 . . 4.120 3.988 3.683 4.126 0.006 2 0 "[ . 1 . 2]" 1
604 1 53 ILE MD 1 53 ILE MG . . 2.710 2.367 1.951 2.700 . 0 0 "[ . 1 . 2]" 1
605 1 53 ILE MD 1 70 GLU HA . . 4.230 3.618 3.086 4.053 . 0 0 "[ . 1 . 2]" 1
606 1 53 ILE MD 1 72 MET H . . 4.010 3.305 2.763 3.696 . 0 0 "[ . 1 . 2]" 1
607 1 53 ILE MD 1 72 MET HB2 . . 3.440 2.051 1.763 2.412 . 0 0 "[ . 1 . 2]" 1
608 1 53 ILE MD 1 72 MET QG . . 4.000 3.292 3.044 3.780 . 0 0 "[ . 1 . 2]" 1
609 1 53 ILE HG12 1 74 VAL MG2 . . 3.240 3.111 2.840 3.253 0.013 20 0 "[ . 1 . 2]" 1
610 1 53 ILE HG13 1 53 ILE MG . . 3.170 3.168 3.038 3.237 0.067 8 0 "[ . 1 . 2]" 1
611 1 53 ILE HG13 1 74 VAL MG2 . . 3.000 2.111 1.886 2.372 . 0 0 "[ . 1 . 2]" 1
612 1 53 ILE MG 1 54 ALA H . . 3.300 2.972 2.485 3.313 0.013 1 0 "[ . 1 . 2]" 1
613 1 53 ILE MG 1 55 LYS H . . 3.430 2.897 2.452 3.332 . 0 0 "[ . 1 . 2]" 1
614 1 53 ILE MG 1 56 ILE HG12 . . 3.220 2.222 1.936 3.091 . 0 0 "[ . 1 . 2]" 1
615 1 53 ILE MG 1 70 GLU HA . . 3.070 2.183 1.916 2.701 . 0 0 "[ . 1 . 2]" 1
616 1 53 ILE MG 1 70 GLU HB3 . . 4.530 3.656 3.216 4.285 . 0 0 "[ . 1 . 2]" 1
617 1 53 ILE MG 1 70 GLU HG2 . . 3.990 3.400 2.403 4.001 0.011 17 0 "[ . 1 . 2]" 1
618 1 53 ILE MG 1 70 GLU HG3 . . 4.120 3.076 2.463 4.027 . 0 0 "[ . 1 . 2]" 1
619 1 53 ILE MG 1 71 GLY H . . 3.650 3.501 3.290 3.663 0.013 10 0 "[ . 1 . 2]" 1
620 1 53 ILE MG 1 72 MET H . . 4.270 3.959 3.697 4.276 0.006 15 0 "[ . 1 . 2]" 1
621 1 54 ALA H 1 54 ALA MB . . 3.040 2.100 1.976 2.263 . 0 0 "[ . 1 . 2]" 1
622 1 54 ALA H 1 55 LYS H . . 3.090 2.614 2.140 3.028 . 0 0 "[ . 1 . 2]" 1
623 1 54 ALA HA 1 71 GLY H . . 5.500 4.089 3.516 4.766 . 0 0 "[ . 1 . 2]" 1
624 1 54 ALA MB 1 55 LYS H . . 3.360 2.415 2.244 2.505 . 0 0 "[ . 1 . 2]" 1
625 1 55 LYS H 1 55 LYS HB2 . . 3.960 3.612 2.532 4.029 0.069 1 0 "[ . 1 . 2]" 1
626 1 55 LYS H 1 55 LYS HB3 . . 3.310 2.863 2.621 3.360 0.050 20 0 "[ . 1 . 2]" 1
627 1 55 LYS H 1 55 LYS QG . . 3.730 3.828 3.725 3.916 0.186 14 0 "[ . 1 . 2]" 1
628 1 55 LYS H 1 56 ILE H . . 5.080 4.273 3.966 4.427 . 0 0 "[ . 1 . 2]" 1
629 1 55 LYS H 1 70 GLU HG2 . . 5.140 4.696 3.909 5.156 0.016 13 0 "[ . 1 . 2]" 1
630 1 55 LYS HA 1 55 LYS HD2 . . 3.980 2.769 2.279 3.651 . 0 0 "[ . 1 . 2]" 1
631 1 55 LYS HA 1 55 LYS HD3 . . 3.590 3.225 2.291 4.022 0.432 1 0 "[ . 1 . 2]" 1
632 1 55 LYS HA 1 55 LYS QG . . 3.480 3.094 2.005 3.419 . 0 0 "[ . 1 . 2]" 1
633 1 55 LYS HA 1 56 ILE H . . 3.210 2.289 2.186 2.604 . 0 0 "[ . 1 . 2]" 1
634 1 55 LYS HA 1 56 ILE HB . . 4.520 4.411 4.284 4.523 0.003 10 0 "[ . 1 . 2]" 1
635 1 55 LYS HA 1 70 GLU HG2 . . 3.600 2.359 1.994 3.012 . 0 0 "[ . 1 . 2]" 1
636 1 55 LYS HA 1 70 GLU HG3 . . 3.860 3.734 3.140 3.896 0.036 19 0 "[ . 1 . 2]" 1
637 1 55 LYS HB2 1 55 LYS QG . . 2.440 2.411 2.181 2.478 0.038 8 0 "[ . 1 . 2]" 1
638 1 55 LYS HD2 1 56 ILE H . . 4.670 2.280 1.931 4.398 . 0 0 "[ . 1 . 2]" 1
639 1 55 LYS HE2 1 55 LYS QG . . 3.590 2.408 1.955 3.058 . 0 0 "[ . 1 . 2]" 1
640 1 55 LYS HE2 1 57 LEU QD . . 4.430 4.126 2.946 5.225 0.795 13 2 "[ . - 1 + . 2]" 1
641 1 55 LYS QG 1 56 ILE H . . 3.500 2.932 2.472 3.535 0.035 17 0 "[ . 1 . 2]" 1
642 1 55 LYS QG 1 57 LEU QD . . 3.880 2.920 2.316 3.841 . 0 0 "[ . 1 . 2]" 1
643 1 56 ILE H 1 56 ILE HB . . 3.170 2.393 2.156 2.667 . 0 0 "[ . 1 . 2]" 1
644 1 56 ILE H 1 56 ILE MD . . 5.310 4.138 3.025 4.493 . 0 0 "[ . 1 . 2]" 1
645 1 56 ILE H 1 56 ILE HG12 . . 4.240 3.655 3.172 4.161 . 0 0 "[ . 1 . 2]" 1
646 1 56 ILE H 1 56 ILE MG . . 4.190 3.691 3.588 3.807 . 0 0 "[ . 1 . 2]" 1
647 1 56 ILE H 1 57 LEU H . . 5.500 4.246 3.542 4.593 . 0 0 "[ . 1 . 2]" 1
648 1 56 ILE H 1 70 GLU HG2 . . 3.660 2.508 1.937 3.625 . 0 0 "[ . 1 . 2]" 1
649 1 56 ILE H 1 70 GLU HG3 . . 3.750 3.175 1.964 3.764 0.014 20 0 "[ . 1 . 2]" 1
650 1 56 ILE HA 1 56 ILE MD . . 3.500 3.575 3.533 3.799 0.299 18 0 "[ . 1 . 2]" 1
651 1 56 ILE HA 1 56 ILE HG12 . . 3.590 2.294 2.163 2.903 . 0 0 "[ . 1 . 2]" 1
652 1 56 ILE HA 1 56 ILE HG13 . . 3.680 3.152 2.248 3.295 . 0 0 "[ . 1 . 2]" 1
653 1 56 ILE HA 1 56 ILE MG . . 3.250 2.539 2.410 2.616 . 0 0 "[ . 1 . 2]" 1
654 1 56 ILE HA 1 57 LEU H . . 3.130 2.227 2.177 2.355 . 0 0 "[ . 1 . 2]" 1
655 1 56 ILE HA 1 62 ALA MB . . 4.610 3.844 2.670 4.193 . 0 0 "[ . 1 . 2]" 1
656 1 56 ILE HB 1 56 ILE MD . . 3.060 2.545 1.924 2.622 . 0 0 "[ . 1 . 2]" 1
657 1 56 ILE HB 1 70 GLU HG3 . . 4.170 2.919 2.216 4.114 . 0 0 "[ . 1 . 2]" 1
658 1 56 ILE MD 1 62 ALA MB . . 3.640 2.655 1.939 3.633 . 0 0 "[ . 1 . 2]" 1
659 1 56 ILE MD 1 68 LEU H . . 4.970 4.524 3.555 4.947 . 0 0 "[ . 1 . 2]" 1
660 1 56 ILE MD 1 68 LEU HB2 . . 3.710 3.249 2.857 3.888 0.178 18 0 "[ . 1 . 2]" 1
661 1 56 ILE MD 1 68 LEU HB3 . . 3.640 2.638 2.173 3.936 0.296 17 0 "[ . 1 . 2]" 1
662 1 56 ILE MD 1 69 MET H . . 3.700 3.256 2.615 3.884 0.184 19 0 "[ . 1 . 2]" 1
663 1 56 ILE MD 1 69 MET HA . . 3.340 2.499 1.825 3.352 0.012 18 0 "[ . 1 . 2]" 1
664 1 56 ILE MD 1 70 GLU H . . 3.780 3.281 2.215 3.789 0.009 12 0 "[ . 1 . 2]" 1
665 1 56 ILE MD 1 70 GLU HG3 . . 3.500 2.974 1.866 3.506 0.006 16 0 "[ . 1 . 2]" 1
666 1 56 ILE HG12 1 56 ILE MG . . 3.010 2.648 2.095 2.718 . 0 0 "[ . 1 . 2]" 1
667 1 56 ILE HG12 1 70 GLU H . . 5.280 5.133 4.759 5.332 0.052 19 0 "[ . 1 . 2]" 1
668 1 56 ILE HG12 1 70 GLU HG3 . . 3.960 3.770 3.605 4.013 0.053 7 0 "[ . 1 . 2]" 1
669 1 56 ILE HG13 1 70 GLU H . . 5.030 3.633 3.060 4.592 . 0 0 "[ . 1 . 2]" 1
670 1 56 ILE HG13 1 70 GLU HG3 . . 4.150 2.117 1.989 2.926 . 0 0 "[ . 1 . 2]" 1
671 1 56 ILE MG 1 57 LEU H . . 3.700 3.120 2.162 3.725 0.025 20 0 "[ . 1 . 2]" 1
672 1 56 ILE MG 1 62 ALA MB . . 2.490 2.323 1.848 2.509 0.019 10 0 "[ . 1 . 2]" 1
673 1 56 ILE MG 1 63 GLU H . . 3.730 2.785 2.377 3.162 . 0 0 "[ . 1 . 2]" 1
674 1 56 ILE MG 1 63 GLU HA . . 3.200 2.546 2.048 3.067 . 0 0 "[ . 1 . 2]" 1
675 1 56 ILE MG 1 63 GLU HB2 . . 2.920 1.929 1.886 2.073 . 0 0 "[ . 1 . 2]" 1
676 1 56 ILE MG 1 63 GLU HB3 . . 3.330 3.329 3.242 3.395 0.065 19 0 "[ . 1 . 2]" 1
677 1 56 ILE MG 1 63 GLU QG . . 3.310 3.020 2.404 3.317 0.007 14 0 "[ . 1 . 2]" 1
678 1 56 ILE MG 1 64 GLN H . . 5.500 4.655 4.286 4.821 . 0 0 "[ . 1 . 2]" 1
679 1 57 LEU H 1 57 LEU HB2 . . 3.430 2.232 2.093 2.513 . 0 0 "[ . 1 . 2]" 1
680 1 57 LEU H 1 57 LEU HB3 . . 3.710 3.481 3.407 3.547 . 0 0 "[ . 1 . 2]" 1
681 1 57 LEU H 1 57 LEU QD . . 4.180 2.217 1.868 3.106 . 0 0 "[ . 1 . 2]" 1
682 1 57 LEU H 1 57 LEU HG . . 3.750 3.478 2.487 3.808 0.058 10 0 "[ . 1 . 2]" 1
683 1 57 LEU HA 1 57 LEU QD . . 3.390 2.132 1.840 2.779 . 0 0 "[ . 1 . 2]" 1
684 1 57 LEU HA 1 57 LEU HG . . 4.190 3.239 2.167 3.723 . 0 0 "[ . 1 . 2]" 1
685 1 57 LEU HA 1 58 PRO HD2 . . 2.880 2.698 2.494 2.883 0.003 1 0 "[ . 1 . 2]" 1
686 1 57 LEU HA 1 58 PRO HD3 . . 2.810 1.991 1.915 2.098 . 0 0 "[ . 1 . 2]" 1
687 1 57 LEU HB3 1 57 LEU QD . . 3.250 2.139 2.046 2.235 . 0 0 "[ . 1 . 2]" 1
688 1 57 LEU HB3 1 58 PRO HD2 . . 3.720 2.367 1.976 2.976 . 0 0 "[ . 1 . 2]" 1
689 1 57 LEU HB3 1 58 PRO HD3 . . 4.010 3.383 3.031 3.880 . 0 0 "[ . 1 . 2]" 1
690 1 57 LEU QD 1 58 PRO HD2 . . 3.680 2.262 1.801 2.859 . 0 0 "[ . 1 . 2]" 1
691 1 57 LEU QD 1 58 PRO HD3 . . 3.890 2.704 1.959 3.595 . 0 0 "[ . 1 . 2]" 1
692 1 58 PRO HA 1 59 GLY H . . 3.220 2.202 2.153 2.275 . 0 0 "[ . 1 . 2]" 1
693 1 58 PRO HA 1 60 GLY H . . 4.670 3.901 3.311 4.473 . 0 0 "[ . 1 . 2]" 1
694 1 58 PRO HB3 1 59 GLY H . . 4.160 4.087 3.640 4.398 0.238 16 0 "[ . 1 . 2]" 1
695 1 59 GLY H 1 60 GLY H . . 4.000 2.757 2.164 3.129 . 0 0 "[ . 1 . 2]" 1
696 1 59 GLY H 1 63 GLU HB3 . . 5.180 3.320 2.584 3.897 . 0 0 "[ . 1 . 2]" 1
697 1 59 GLY H 1 63 GLU QG . . 4.370 3.425 2.105 4.417 0.047 12 0 "[ . 1 . 2]" 1
698 1 60 GLY H 1 61 SER H . . 5.260 4.027 1.885 4.648 . 0 0 "[ . 1 . 2]" 1
699 1 60 GLY H 1 63 GLU HB2 . . 4.360 3.099 2.474 4.336 . 0 0 "[ . 1 . 2]" 1
700 1 60 GLY H 1 63 GLU HB3 . . 5.050 2.405 1.952 3.844 . 0 0 "[ . 1 . 2]" 1
701 1 60 GLY HA2 1 61 SER H . . 3.400 2.838 2.273 3.318 . 0 0 "[ . 1 . 2]" 1
702 1 60 GLY HA3 1 61 SER H . . 3.290 2.645 2.294 3.405 0.115 10 0 "[ . 1 . 2]" 1
703 1 61 SER H 1 61 SER QB . . 3.630 2.432 2.066 2.898 . 0 0 "[ . 1 . 2]" 1
704 1 61 SER H 1 62 ALA H . . 4.090 2.511 2.378 2.731 . 0 0 "[ . 1 . 2]" 1
705 1 61 SER HA 1 64 GLN H . . 4.550 3.451 3.008 4.260 . 0 0 "[ . 1 . 2]" 1
706 1 61 SER HA 1 64 GLN HB2 . . 3.490 2.564 1.993 4.224 0.734 15 1 "[ . 1 + 2]" 1
707 1 61 SER QB 1 62 ALA H . . 3.960 2.685 2.296 3.415 . 0 0 "[ . 1 . 2]" 1
708 1 62 ALA H 1 62 ALA MB . . 3.130 2.112 1.991 2.263 . 0 0 "[ . 1 . 2]" 1
709 1 62 ALA H 1 63 GLU H . . 4.210 2.540 2.075 2.769 . 0 0 "[ . 1 . 2]" 1
710 1 62 ALA HA 1 65 THR MG . . 3.200 2.519 1.976 3.197 . 0 0 "[ . 1 . 2]" 1
711 1 62 ALA HA 1 68 LEU HG . . 3.810 3.777 3.428 4.208 0.398 13 0 "[ . 1 . 2]" 1
712 1 62 ALA MB 1 63 GLU H . . 3.600 2.623 2.169 3.117 . 0 0 "[ . 1 . 2]" 1
713 1 62 ALA MB 1 63 GLU HA . . 4.720 3.770 3.623 3.911 . 0 0 "[ . 1 . 2]" 1
714 1 62 ALA MB 1 68 LEU HG . . 3.480 3.131 2.506 3.551 0.071 13 0 "[ . 1 . 2]" 1
715 1 63 GLU H 1 63 GLU HB2 . . 3.630 2.426 2.256 2.797 . 0 0 "[ . 1 . 2]" 1
716 1 63 GLU H 1 63 GLU HB3 . . 3.770 2.571 2.224 2.736 . 0 0 "[ . 1 . 2]" 1
717 1 63 GLU H 1 63 GLU QG . . 4.120 3.976 3.872 4.066 . 0 0 "[ . 1 . 2]" 1
718 1 63 GLU H 1 64 GLN H . . 3.800 2.548 2.382 2.790 . 0 0 "[ . 1 . 2]" 1
719 1 63 GLU HA 1 63 GLU QG . . 2.800 2.502 2.146 2.831 0.031 10 0 "[ . 1 . 2]" 1
720 1 63 GLU HA 1 66 GLY H . . 5.180 3.549 3.140 3.889 . 0 0 "[ . 1 . 2]" 1
721 1 63 GLU HB3 1 64 GLN H . . 3.240 3.086 2.952 3.260 0.020 15 0 "[ . 1 . 2]" 1
722 1 63 GLU QG 1 64 GLN H . . 4.270 4.184 3.864 4.278 0.008 15 0 "[ . 1 . 2]" 1
723 1 64 GLN H 1 64 GLN HB2 . . 2.920 2.145 2.039 3.506 0.586 15 1 "[ . 1 + 2]" 1
724 1 64 GLN H 1 64 GLN HB3 . . 3.540 3.305 2.235 3.456 . 0 0 "[ . 1 . 2]" 1
725 1 64 GLN H 1 64 GLN HG2 . . 3.700 3.518 2.805 3.762 0.062 16 0 "[ . 1 . 2]" 1
726 1 64 GLN H 1 64 GLN HG3 . . 3.540 3.452 2.957 3.901 0.361 15 0 "[ . 1 . 2]" 1
727 1 64 GLN H 1 65 THR H . . 3.780 2.784 2.432 3.012 . 0 0 "[ . 1 . 2]" 1
728 1 64 GLN H 1 65 THR MG . . 4.680 3.919 3.648 4.150 . 0 0 "[ . 1 . 2]" 1
729 1 64 GLN HA 1 64 GLN HB3 . . 2.910 2.803 2.707 2.845 . 0 0 "[ . 1 . 2]" 1
730 1 64 GLN HA 1 64 GLN HG2 . . 3.330 2.080 1.963 3.775 0.445 15 0 "[ . 1 . 2]" 1
731 1 64 GLN HA 1 64 GLN HG3 . . 3.460 3.243 3.127 3.492 0.032 15 0 "[ . 1 . 2]" 1
732 1 64 GLN HB2 1 65 THR H . . 4.020 2.930 2.740 4.078 0.058 15 0 "[ . 1 . 2]" 1
733 1 64 GLN HB2 1 66 GLY H . . 5.500 5.362 4.924 5.584 0.084 15 0 "[ . 1 . 2]" 1
734 1 64 GLN HB3 1 65 THR H . . 4.420 2.951 2.603 3.510 . 0 0 "[ . 1 . 2]" 1
735 1 65 THR H 1 65 THR MG . . 3.100 1.954 1.869 2.018 . 0 0 "[ . 1 . 2]" 1
736 1 65 THR H 1 66 GLY H . . 3.260 2.996 2.712 3.158 . 0 0 "[ . 1 . 2]" 1
737 1 65 THR HA 1 65 THR MG . . 2.480 2.426 2.376 2.486 0.006 4 0 "[ . 1 . 2]" 1
738 1 65 THR HB 1 67 LYS H . . 3.640 3.105 2.619 3.640 . 0 0 "[ . 1 . 2]" 1
739 1 65 THR HB 1 67 LYS HB2 . . 4.060 3.254 2.775 3.732 . 0 0 "[ . 1 . 2]" 1
740 1 65 THR HG1 1 66 GLY H . . 4.450 2.808 2.026 3.517 . 0 0 "[ . 1 . 2]" 1
741 1 65 THR HG1 1 68 LEU HG . . 4.620 3.320 2.092 4.229 . 0 0 "[ . 1 . 2]" 1
742 1 65 THR MG 1 66 GLY H . . 4.780 3.761 3.664 3.977 . 0 0 "[ . 1 . 2]" 1
743 1 66 GLY H 1 66 GLY HA2 . . 2.940 2.309 2.246 2.406 . 0 0 "[ . 1 . 2]" 1
744 1 66 GLY H 1 67 LYS H . . 3.190 2.902 2.138 3.219 0.029 15 0 "[ . 1 . 2]" 1
745 1 66 GLY H 1 68 LEU H . . 5.000 3.332 2.822 4.185 . 0 0 "[ . 1 . 2]" 1
746 1 67 LYS H 1 67 LYS HB2 . . 3.500 2.170 2.013 2.546 . 0 0 "[ . 1 . 2]" 1
747 1 67 LYS H 1 67 LYS HB3 . . 3.970 3.342 3.104 3.668 . 0 0 "[ . 1 . 2]" 1
748 1 67 LYS H 1 67 LYS HG3 . . 3.870 3.782 3.157 4.514 0.644 13 2 "[ . 1 + . -2]" 1
749 1 67 LYS H 1 68 LEU H . . 3.140 2.403 1.872 2.840 . 0 0 "[ . 1 . 2]" 1
750 1 67 LYS H 1 68 LEU QD . . 3.800 3.412 3.042 3.849 0.049 13 0 "[ . 1 . 2]" 1
751 1 67 LYS HA 1 67 LYS HG3 . . 3.670 2.790 1.997 3.528 . 0 0 "[ . 1 . 2]" 1
752 1 67 LYS HB2 1 68 LEU H . . 4.300 3.309 2.796 3.777 . 0 0 "[ . 1 . 2]" 1
753 1 67 LYS HE2 1 67 LYS HG2 . . 3.090 2.871 2.163 3.973 0.883 11 3 "[ . 1+ .- *2]" 1
754 1 67 LYS HE2 1 67 LYS HG3 . . 3.600 3.138 2.318 3.961 0.361 10 0 "[ . 1 . 2]" 1
755 1 68 LEU H 1 68 LEU HB2 . . 3.480 2.432 2.139 3.790 0.310 17 0 "[ . 1 . 2]" 1
756 1 68 LEU H 1 68 LEU HB3 . . 4.050 3.317 2.032 3.576 . 0 0 "[ . 1 . 2]" 1
757 1 68 LEU H 1 68 LEU QD . . 3.230 2.244 1.800 3.205 . 0 0 "[ . 1 . 2]" 1
758 1 68 LEU H 1 68 LEU HG . . 3.870 3.699 2.880 3.972 0.102 18 0 "[ . 1 . 2]" 1
759 1 68 LEU HA 1 68 LEU QD . . 3.070 2.190 1.920 3.192 0.122 17 0 "[ . 1 . 2]" 1
760 1 68 LEU HA 1 68 LEU HG . . 4.040 3.686 2.371 4.205 0.165 19 0 "[ . 1 . 2]" 1
761 1 68 LEU HA 1 69 MET H . . 2.970 2.306 2.181 2.505 . 0 0 "[ . 1 . 2]" 1
762 1 68 LEU HA 1 72 MET ME . . 2.940 2.799 1.962 2.957 0.017 3 0 "[ . 1 . 2]" 1
763 1 68 LEU HB2 1 69 MET H . . 4.680 4.024 2.832 4.462 . 0 0 "[ . 1 . 2]" 1
764 1 68 LEU HB3 1 68 LEU QD . . 3.060 2.208 2.089 2.429 . 0 0 "[ . 1 . 2]" 1
765 1 68 LEU HB3 1 69 MET H . . 3.570 3.229 2.479 4.096 0.526 18 2 "[ . 1 . -+ 2]" 1
766 1 68 LEU QD 1 69 MET H . . 3.340 2.878 1.812 3.328 . 0 0 "[ . 1 . 2]" 1
767 1 68 LEU QD 1 72 MET ME . . 3.400 3.165 3.008 3.390 . 0 0 "[ . 1 . 2]" 1
768 1 68 LEU QD 1 72 MET QG . . 4.520 3.822 3.071 4.213 . 0 0 "[ . 1 . 2]" 1
769 1 69 MET H 1 69 MET HB2 . . 3.610 2.913 2.575 3.859 0.249 17 0 "[ . 1 . 2]" 1
770 1 69 MET H 1 69 MET HB3 . . 4.010 3.638 2.561 3.947 . 0 0 "[ . 1 . 2]" 1
771 1 69 MET H 1 69 MET HG2 . . 4.200 3.796 2.595 4.202 0.002 11 0 "[ . 1 . 2]" 1
772 1 69 MET H 1 69 MET HG3 . . 4.340 3.830 2.799 4.494 0.154 8 0 "[ . 1 . 2]" 1
773 1 69 MET H 1 70 GLU H . . 5.500 4.339 4.034 4.446 . 0 0 "[ . 1 . 2]" 1
774 1 69 MET H 1 72 MET H . . 5.500 4.711 4.240 5.321 . 0 0 "[ . 1 . 2]" 1
775 1 69 MET H 1 72 MET ME . . 3.350 2.846 1.929 3.356 0.006 2 0 "[ . 1 . 2]" 1
776 1 69 MET H 1 72 MET QG . . 4.510 2.272 1.919 2.678 . 0 0 "[ . 1 . 2]" 1
777 1 69 MET HB2 1 70 GLU H . . 4.140 3.933 2.214 4.243 0.103 19 0 "[ . 1 . 2]" 1
778 1 69 MET HB2 1 72 MET ME . . 4.090 3.058 2.223 4.756 0.666 8 1 "[ . + 1 . 2]" 1
779 1 69 MET HB2 1 72 MET QG . . 3.760 2.644 2.061 4.216 0.456 8 0 "[ . 1 . 2]" 1
780 1 69 MET HB3 1 70 GLU H . . 3.620 3.071 2.210 4.141 0.521 1 2 "[+ . - 1 . 2]" 1
781 1 69 MET HG2 1 70 GLU H . . 5.400 4.061 3.122 4.890 . 0 0 "[ . 1 . 2]" 1
782 1 69 MET HG3 1 70 GLU H . . 5.500 4.675 1.957 5.495 . 0 0 "[ . 1 . 2]" 1
783 1 70 GLU H 1 70 GLU HB2 . . 3.370 2.614 2.404 2.768 . 0 0 "[ . 1 . 2]" 1
784 1 70 GLU H 1 70 GLU HG2 . . 3.910 3.559 3.419 3.934 0.024 13 0 "[ . 1 . 2]" 1
785 1 70 GLU H 1 70 GLU HG3 . . 3.310 2.161 1.962 2.613 . 0 0 "[ . 1 . 2]" 1
786 1 70 GLU H 1 71 GLY H . . 5.330 4.657 4.614 4.673 . 0 0 "[ . 1 . 2]" 1
787 1 70 GLU HA 1 70 GLU HB3 . . 2.850 2.457 2.362 2.533 . 0 0 "[ . 1 . 2]" 1
788 1 70 GLU HA 1 70 GLU HG2 . . 3.730 3.175 2.764 3.519 . 0 0 "[ . 1 . 2]" 1
789 1 70 GLU HA 1 70 GLU HG3 . . 3.760 2.583 2.375 2.761 . 0 0 "[ . 1 . 2]" 1
790 1 70 GLU HA 1 71 GLY H . . 2.870 2.390 2.310 2.528 . 0 0 "[ . 1 . 2]" 1
791 1 70 GLU HA 1 72 MET H . . 4.140 3.181 3.002 3.574 . 0 0 "[ . 1 . 2]" 1
792 1 70 GLU HB2 1 71 GLY H . . 3.850 3.753 3.319 3.865 0.015 3 0 "[ . 1 . 2]" 1
793 1 70 GLU HB3 1 71 GLY H . . 3.660 2.759 2.396 2.996 . 0 0 "[ . 1 . 2]" 1
794 1 71 GLY H 1 72 MET H . . 3.620 2.636 2.362 3.090 . 0 0 "[ . 1 . 2]" 1
795 1 72 MET H 1 72 MET HB2 . . 3.310 2.185 2.058 2.304 . 0 0 "[ . 1 . 2]" 1
796 1 72 MET H 1 72 MET HB3 . . 4.010 3.451 3.313 3.517 . 0 0 "[ . 1 . 2]" 1
797 1 72 MET H 1 72 MET ME . . 5.300 5.090 4.816 5.303 0.003 13 0 "[ . 1 . 2]" 1
798 1 72 MET H 1 72 MET QG . . 3.650 2.883 2.413 3.257 . 0 0 "[ . 1 . 2]" 1
799 1 72 MET HA 1 72 MET ME . . 5.000 4.393 4.163 4.590 . 0 0 "[ . 1 . 2]" 1
800 1 72 MET HA 1 72 MET QG . . 3.680 2.333 2.037 2.596 . 0 0 "[ . 1 . 2]" 1
801 1 72 MET HA 1 73 GLN H . . 3.260 2.226 2.202 2.285 . 0 0 "[ . 1 . 2]" 1
802 1 72 MET HB2 1 105 VAL QG . . 3.250 3.121 2.969 3.187 . 0 0 "[ . 1 . 2]" 1
803 1 72 MET HB3 1 73 GLN H . . 4.090 3.515 3.086 4.098 0.008 17 0 "[ . 1 . 2]" 1
804 1 72 MET HB3 1 105 VAL QG . . 3.490 2.150 1.896 2.451 . 0 0 "[ . 1 . 2]" 1
805 1 72 MET ME 1 72 MET QG . . 3.140 2.146 1.996 2.184 . 0 0 "[ . 1 . 2]" 1
806 1 72 MET ME 1 107 LEU HA . . 2.940 2.925 2.766 2.974 0.034 13 0 "[ . 1 . 2]" 1
807 1 72 MET ME 1 107 LEU MD2 . . 3.030 2.669 1.933 3.027 . 0 0 "[ . 1 . 2]" 1
808 1 72 MET QG 1 73 GLN H . . 5.500 4.250 3.978 4.489 . 0 0 "[ . 1 . 2]" 1
809 1 73 GLN H 1 73 GLN HB2 . . 3.530 2.640 2.413 2.950 . 0 0 "[ . 1 . 2]" 1
810 1 73 GLN H 1 73 GLN HB3 . . 3.190 2.394 2.269 2.569 . 0 0 "[ . 1 . 2]" 1
811 1 73 GLN HA 1 73 GLN HG2 . . 4.220 2.954 2.339 3.267 . 0 0 "[ . 1 . 2]" 1
812 1 73 GLN HA 1 73 GLN HG3 . . 4.110 2.811 2.637 3.586 . 0 0 "[ . 1 . 2]" 1
813 1 73 GLN HA 1 74 VAL H . . 3.260 2.217 2.201 2.334 . 0 0 "[ . 1 . 2]" 1
814 1 73 GLN HA 1 74 VAL MG2 . . 3.870 3.534 3.361 3.842 . 0 0 "[ . 1 . 2]" 1
815 1 73 GLN HE21 1 83 THR MG . . 4.720 3.996 3.314 4.615 . 0 0 "[ . 1 . 2]" 1
816 1 73 GLN HE22 1 75 LEU QD . . 3.870 2.836 2.000 3.491 . 0 0 "[ . 1 . 2]" 1
817 1 73 GLN HE22 1 83 THR MG . . 5.120 4.211 3.319 4.673 . 0 0 "[ . 1 . 2]" 1
818 1 73 GLN HG2 1 74 VAL H . . 4.050 3.147 2.481 3.572 . 0 0 "[ . 1 . 2]" 1
819 1 73 GLN HG2 1 75 LEU QD . . 3.370 3.238 2.826 4.072 0.702 8 1 "[ . + 1 . 2]" 1
820 1 73 GLN HG3 1 74 VAL H . . 4.060 3.624 2.983 4.059 . 0 0 "[ . 1 . 2]" 1
821 1 73 GLN HG3 1 75 LEU QD . . 4.580 4.269 3.346 4.491 . 0 0 "[ . 1 . 2]" 1
822 1 74 VAL H 1 74 VAL HB . . 3.420 2.438 2.296 2.623 . 0 0 "[ . 1 . 2]" 1
823 1 74 VAL H 1 74 VAL MG1 . . 4.380 3.727 3.685 3.771 . 0 0 "[ . 1 . 2]" 1
824 1 74 VAL H 1 74 VAL MG2 . . 3.310 2.185 1.891 2.720 . 0 0 "[ . 1 . 2]" 1
825 1 74 VAL H 1 82 LEU QD . . 5.500 4.626 4.101 5.109 . 0 0 "[ . 1 . 2]" 1
826 1 74 VAL HA 1 74 VAL MG1 . . 2.790 2.355 2.151 2.453 . 0 0 "[ . 1 . 2]" 1
827 1 74 VAL HA 1 74 VAL MG2 . . 3.320 2.421 2.183 2.501 . 0 0 "[ . 1 . 2]" 1
828 1 74 VAL HA 1 75 LEU H . . 3.000 2.189 2.183 2.192 . 0 0 "[ . 1 . 2]" 1
829 1 74 VAL HA 1 75 LEU HG . . 4.080 3.786 3.638 3.981 . 0 0 "[ . 1 . 2]" 1
830 1 74 VAL HA 1 76 GLU H . . 4.170 4.111 3.985 4.182 0.012 14 0 "[ . 1 . 2]" 1
831 1 74 VAL HA 1 105 VAL HA . . 3.310 2.514 1.998 3.006 . 0 0 "[ . 1 . 2]" 1
832 1 74 VAL HA 1 105 VAL QG . . 3.380 2.479 1.949 3.207 . 0 0 "[ . 1 . 2]" 1
833 1 74 VAL HA 1 106 ARG H . . 4.990 4.277 3.602 4.702 . 0 0 "[ . 1 . 2]" 1
834 1 74 VAL HB 1 82 LEU QD . . 3.380 2.760 2.066 3.217 . 0 0 "[ . 1 . 2]" 1
835 1 74 VAL MG1 1 75 LEU H . . 3.520 3.093 2.862 3.178 . 0 0 "[ . 1 . 2]" 1
836 1 74 VAL MG1 1 76 GLU H . . 3.530 3.048 2.742 3.340 . 0 0 "[ . 1 . 2]" 1
837 1 74 VAL MG1 1 77 TRP H . . 4.280 4.193 3.895 4.301 0.021 12 0 "[ . 1 . 2]" 1
838 1 74 VAL MG1 1 77 TRP HB2 . . 3.630 2.620 2.452 2.780 . 0 0 "[ . 1 . 2]" 1
839 1 74 VAL MG1 1 77 TRP HE3 . . 3.290 3.004 2.598 3.274 . 0 0 "[ . 1 . 2]" 1
840 1 74 VAL MG1 1 82 LEU QD . . 3.430 2.046 1.730 2.461 . 0 0 "[ . 1 . 2]" 1
841 1 74 VAL MG1 1 104 CYS H . . 3.830 2.941 2.590 3.333 . 0 0 "[ . 1 . 2]" 1
842 1 74 VAL MG2 1 75 LEU H . . 4.280 4.231 4.070 4.317 0.037 14 0 "[ . 1 . 2]" 1
843 1 74 VAL MG2 1 105 VAL HA . . 5.170 4.038 3.655 4.375 . 0 0 "[ . 1 . 2]" 1
844 1 74 VAL MG2 1 105 VAL HB . . 4.960 3.901 2.308 4.623 . 0 0 "[ . 1 . 2]" 1
845 1 75 LEU H 1 75 LEU HB2 . . 3.660 2.517 2.410 2.608 . 0 0 "[ . 1 . 2]" 1
846 1 75 LEU H 1 75 LEU HB3 . . 3.770 3.556 3.540 3.586 . 0 0 "[ . 1 . 2]" 1
847 1 75 LEU H 1 75 LEU QD . . 4.030 2.959 2.779 3.131 . 0 0 "[ . 1 . 2]" 1
848 1 75 LEU H 1 75 LEU HG . . 3.340 2.147 1.967 2.370 . 0 0 "[ . 1 . 2]" 1
849 1 75 LEU H 1 76 GLU H . . 3.530 2.655 2.537 2.786 . 0 0 "[ . 1 . 2]" 1
850 1 75 LEU H 1 105 VAL HA . . 3.350 2.494 1.945 3.347 . 0 0 "[ . 1 . 2]" 1
851 1 75 LEU H 1 106 ARG H . . 5.100 4.295 3.609 4.882 . 0 0 "[ . 1 . 2]" 1
852 1 75 LEU HA 1 75 LEU HB3 . . 2.930 2.416 2.368 2.467 . 0 0 "[ . 1 . 2]" 1
853 1 75 LEU HA 1 75 LEU QD . . 3.030 2.296 2.021 2.544 . 0 0 "[ . 1 . 2]" 1
854 1 75 LEU HA 1 75 LEU HG . . 3.910 2.952 2.778 3.112 . 0 0 "[ . 1 . 2]" 1
855 1 75 LEU HB2 1 76 GLU H . . 3.980 2.385 2.303 2.499 . 0 0 "[ . 1 . 2]" 1
856 1 75 LEU HB3 1 76 GLU H . . 3.590 3.572 3.424 3.622 0.032 11 0 "[ . 1 . 2]" 1
857 1 75 LEU HB3 1 76 GLU HG3 . . 4.510 3.502 2.721 4.359 . 0 0 "[ . 1 . 2]" 1
858 1 75 LEU QD 1 76 GLU H . . 4.900 3.813 3.620 3.996 . 0 0 "[ . 1 . 2]" 1
859 1 75 LEU QD 1 105 VAL HA . . 5.090 3.187 2.652 4.031 . 0 0 "[ . 1 . 2]" 1
860 1 75 LEU QD 1 106 ARG H . . 4.570 3.331 2.979 3.965 . 0 0 "[ . 1 . 2]" 1
861 1 75 LEU QD 1 106 ARG HB2 . . 3.980 2.169 1.883 2.467 . 0 0 "[ . 1 . 2]" 1
862 1 75 LEU QD 1 106 ARG HB3 . . 3.860 3.351 2.914 3.551 . 0 0 "[ . 1 . 2]" 1
863 1 75 LEU QD 1 106 ARG HD3 . . 4.410 4.015 2.726 4.954 0.544 10 2 "[ . +- . 2]" 1
864 1 75 LEU HG 1 105 VAL HA . . 3.810 3.031 2.538 3.806 . 0 0 "[ . 1 . 2]" 1
865 1 76 GLU H 1 76 GLU HG3 . . 4.020 3.417 2.828 3.913 . 0 0 "[ . 1 . 2]" 1
866 1 76 GLU H 1 82 LEU QD . . 5.160 4.540 3.422 4.933 . 0 0 "[ . 1 . 2]" 1
867 1 76 GLU H 1 82 LEU HG . . 5.390 5.140 4.868 5.434 0.044 11 0 "[ . 1 . 2]" 1
868 1 76 GLU H 1 104 CYS H . . 3.980 3.117 2.817 3.589 . 0 0 "[ . 1 . 2]" 1
869 1 76 GLU H 1 104 CYS QB . . 3.700 2.027 1.935 2.321 . 0 0 "[ . 1 . 2]" 1
870 1 76 GLU HA 1 76 GLU HG3 . . 3.300 2.609 2.147 3.216 . 0 0 "[ . 1 . 2]" 1
871 1 76 GLU HA 1 77 TRP H . . 2.990 2.433 2.360 2.536 . 0 0 "[ . 1 . 2]" 1
872 1 76 GLU HA 1 81 PRO HA . . 3.440 2.217 1.999 2.757 . 0 0 "[ . 1 . 2]" 1
873 1 76 GLU HA 1 82 LEU H . . 3.980 2.799 2.385 3.096 . 0 0 "[ . 1 . 2]" 1
874 1 76 GLU HA 1 82 LEU QD . . 4.370 3.415 2.091 3.865 . 0 0 "[ . 1 . 2]" 1
875 1 76 GLU HA 1 82 LEU HG . . 3.290 3.001 2.640 3.255 . 0 0 "[ . 1 . 2]" 1
876 1 76 GLU HB2 1 77 TRP H . . 4.820 3.858 3.549 4.176 . 0 0 "[ . 1 . 2]" 1
877 1 76 GLU HB2 1 79 GLY H . . 4.990 4.169 3.457 4.740 . 0 0 "[ . 1 . 2]" 1
878 1 76 GLU HB2 1 104 CYS H . . 4.900 4.282 3.788 4.705 . 0 0 "[ . 1 . 2]" 1
879 1 76 GLU HB2 1 104 CYS QB . . 3.600 2.373 1.963 2.833 . 0 0 "[ . 1 . 2]" 1
880 1 76 GLU HB3 1 77 TRP H . . 3.670 2.649 2.380 2.917 . 0 0 "[ . 1 . 2]" 1
881 1 76 GLU HB3 1 79 GLY H . . 4.330 3.238 2.912 3.569 . 0 0 "[ . 1 . 2]" 1
882 1 76 GLU HB3 1 79 GLY HA2 . . 4.130 3.424 3.091 3.669 . 0 0 "[ . 1 . 2]" 1
883 1 76 GLU HB3 1 104 CYS H . . 5.470 5.074 4.391 5.469 . 0 0 "[ . 1 . 2]" 1
884 1 76 GLU HB3 1 104 CYS QB . . 4.560 3.772 3.183 4.170 . 0 0 "[ . 1 . 2]" 1
885 1 76 GLU HG2 1 77 TRP H . . 4.880 4.021 3.535 4.587 . 0 0 "[ . 1 . 2]" 1
886 1 76 GLU HG3 1 81 PRO HA . . 3.670 2.863 2.121 3.782 0.112 15 0 "[ . 1 . 2]" 1
887 1 76 GLU HG3 1 82 LEU H . . 4.500 3.896 3.223 4.779 0.279 15 0 "[ . 1 . 2]" 1
888 1 77 TRP H 1 77 TRP HB2 . . 4.010 3.373 3.185 3.516 . 0 0 "[ . 1 . 2]" 1
889 1 77 TRP H 1 77 TRP HB3 . . 3.680 2.654 2.536 2.758 . 0 0 "[ . 1 . 2]" 1
890 1 77 TRP H 1 79 GLY H . . 5.420 3.538 3.285 3.693 . 0 0 "[ . 1 . 2]" 1
891 1 77 TRP H 1 80 ILE H . . 3.920 3.849 3.637 3.946 0.026 14 0 "[ . 1 . 2]" 1
892 1 77 TRP H 1 80 ILE HB . . 4.220 3.986 3.749 4.248 0.028 15 0 "[ . 1 . 2]" 1
893 1 77 TRP H 1 82 LEU H . . 4.610 4.392 3.093 4.626 0.016 10 0 "[ . 1 . 2]" 1
894 1 77 TRP H 1 82 LEU QD . . 4.060 3.334 2.991 3.699 . 0 0 "[ . 1 . 2]" 1
895 1 77 TRP H 1 82 LEU HG . . 3.850 3.138 2.540 3.474 . 0 0 "[ . 1 . 2]" 1
896 1 77 TRP HA 1 77 TRP HE3 . . 3.940 3.101 2.563 3.642 . 0 0 "[ . 1 . 2]" 1
897 1 77 TRP HA 1 78 ASN H . . 3.200 2.214 2.205 2.245 . 0 0 "[ . 1 . 2]" 1
898 1 77 TRP HA 1 78 ASN HA . . 4.290 4.320 4.316 4.326 0.036 7 0 "[ . 1 . 2]" 1
899 1 77 TRP HA 1 79 GLY H . . 5.460 3.635 3.430 3.761 . 0 0 "[ . 1 . 2]" 1
900 1 77 TRP HB2 1 77 TRP HE3 . . 3.550 2.503 2.354 2.711 . 0 0 "[ . 1 . 2]" 1
901 1 77 TRP HB2 1 78 ASN H . . 5.080 4.308 4.169 4.472 . 0 0 "[ . 1 . 2]" 1
902 1 77 TRP HB2 1 82 LEU QD . . 3.320 2.242 1.940 2.511 . 0 0 "[ . 1 . 2]" 1
903 1 77 TRP HB2 1 94 ILE MG . . 4.480 3.759 2.729 4.167 . 0 0 "[ . 1 . 2]" 1
904 1 77 TRP HB3 1 77 TRP HD1 . . 3.560 2.749 2.637 2.910 . 0 0 "[ . 1 . 2]" 1
905 1 77 TRP HB3 1 82 LEU QD . . 3.340 2.276 2.135 2.459 . 0 0 "[ . 1 . 2]" 1
906 1 77 TRP HB3 1 82 LEU HG . . 4.460 2.873 2.278 3.329 . 0 0 "[ . 1 . 2]" 1
907 1 77 TRP HB3 1 93 ILE MG . . 3.380 2.938 2.473 3.313 . 0 0 "[ . 1 . 2]" 1
908 1 77 TRP HB3 1 94 ILE MG . . 4.350 3.923 2.390 4.363 0.013 3 0 "[ . 1 . 2]" 1
909 1 77 TRP HD1 1 78 ASN QB . . 3.680 2.754 2.000 3.579 . 0 0 "[ . 1 . 2]" 1
910 1 77 TRP HD1 1 80 ILE MD . . 4.150 3.696 3.140 4.058 . 0 0 "[ . 1 . 2]" 1
911 1 77 TRP HD1 1 93 ILE MG . . 3.230 2.265 1.916 2.851 . 0 0 "[ . 1 . 2]" 1
912 1 77 TRP HD1 1 94 ILE HA . . 3.800 2.937 2.478 3.500 . 0 0 "[ . 1 . 2]" 1
913 1 77 TRP HE1 1 78 ASN HD21 . . 4.260 2.966 1.929 4.247 . 0 0 "[ . 1 . 2]" 1
914 1 77 TRP HE1 1 78 ASN HD22 . . 4.300 3.551 2.894 4.294 . 0 0 "[ . 1 . 2]" 1
915 1 77 TRP HE1 1 93 ILE MG . . 4.690 3.991 3.511 4.493 . 0 0 "[ . 1 . 2]" 1
916 1 77 TRP HE1 1 94 ILE HA . . 3.890 2.211 1.939 2.665 . 0 0 "[ . 1 . 2]" 1
917 1 77 TRP HE1 1 94 ILE MG . . 5.070 3.067 2.385 4.050 . 0 0 "[ . 1 . 2]" 1
918 1 77 TRP HE1 1 95 SER H . . 5.450 5.440 5.279 5.490 0.040 3 0 "[ . 1 . 2]" 1
919 1 77 TRP HE1 1 97 GLN HB2 . . 5.490 4.000 2.694 5.120 . 0 0 "[ . 1 . 2]" 1
920 1 77 TRP HE1 1 97 GLN HB3 . . 5.500 4.080 3.004 5.088 . 0 0 "[ . 1 . 2]" 1
921 1 77 TRP HE1 1 101 ALA MB . . 4.600 3.502 2.636 4.202 . 0 0 "[ . 1 . 2]" 1
922 1 77 TRP HE3 1 94 ILE MD . . 4.700 4.238 3.731 4.735 0.035 9 0 "[ . 1 . 2]" 1
923 1 77 TRP HE3 1 94 ILE MG . . 4.900 3.700 2.792 4.330 . 0 0 "[ . 1 . 2]" 1
924 1 77 TRP HE3 1 103 ILE HB . . 4.310 2.604 2.104 4.443 0.133 12 0 "[ . 1 . 2]" 1
925 1 77 TRP HE3 1 103 ILE MD . . 3.920 2.349 1.768 2.957 . 0 0 "[ . 1 . 2]" 1
926 1 77 TRP HE3 1 103 ILE HG13 . . 3.660 2.893 2.014 4.253 0.593 6 3 "[ .+ - * . 2]" 1
927 1 77 TRP HE3 1 103 ILE MG . . 4.110 4.021 3.761 4.192 0.082 12 0 "[ . 1 . 2]" 1
928 1 77 TRP HH2 1 101 ALA MB . . 3.820 3.053 2.355 3.756 . 0 0 "[ . 1 . 2]" 1
929 1 77 TRP HZ2 1 94 ILE HA . . 5.500 3.971 3.252 4.528 . 0 0 "[ . 1 . 2]" 1
930 1 77 TRP HZ2 1 94 ILE MG . . 4.660 3.056 2.666 4.460 . 0 0 "[ . 1 . 2]" 1
931 1 77 TRP HZ2 1 97 GLN HB2 . . 5.500 4.431 2.204 5.499 . 0 0 "[ . 1 . 2]" 1
932 1 77 TRP HZ2 1 97 GLN QG . . 4.420 3.800 2.560 4.431 0.011 14 0 "[ . 1 . 2]" 1
933 1 77 TRP HZ2 1 101 ALA MB . . 3.550 2.601 2.187 3.356 . 0 0 "[ . 1 . 2]" 1
934 1 77 TRP HZ3 1 103 ILE HB . . 3.910 2.490 1.999 3.990 0.080 12 0 "[ . 1 . 2]" 1
935 1 77 TRP HZ3 1 103 ILE MD . . 3.010 2.397 1.876 3.049 0.039 13 0 "[ . 1 . 2]" 1
936 1 77 TRP HZ3 1 103 ILE MG . . 4.410 3.349 2.763 4.457 0.047 3 0 "[ . 1 . 2]" 1
937 1 78 ASN H 1 79 GLY H . . 4.060 2.667 2.500 2.851 . 0 0 "[ . 1 . 2]" 1
938 1 78 ASN H 1 102 GLU H . . 4.140 3.383 2.588 4.032 . 0 0 "[ . 1 . 2]" 1
939 1 78 ASN H 1 102 GLU HA . . 4.650 4.556 4.256 4.684 0.034 3 0 "[ . 1 . 2]" 1
940 1 78 ASN H 1 102 GLU HB3 . . 4.180 3.148 2.587 3.962 . 0 0 "[ . 1 . 2]" 1
941 1 78 ASN HA 1 79 GLY H . . 3.530 2.984 2.928 3.011 . 0 0 "[ . 1 . 2]" 1
942 1 78 ASN HA 1 102 GLU H . . 4.020 2.705 1.953 3.559 . 0 0 "[ . 1 . 2]" 1
943 1 78 ASN HA 1 102 GLU HB3 . . 3.410 3.069 2.405 3.639 0.229 3 0 "[ . 1 . 2]" 1
944 1 78 ASN QB 1 80 ILE H . . 4.460 3.297 3.087 3.831 . 0 0 "[ . 1 . 2]" 1
945 1 78 ASN QB 1 80 ILE MD . . 4.100 2.462 1.950 3.434 . 0 0 "[ . 1 . 2]" 1
946 1 78 ASN HD21 1 101 ALA HA . . 5.500 4.613 3.562 5.502 0.002 16 0 "[ . 1 . 2]" 1
947 1 78 ASN HD21 1 101 ALA MB . . 4.020 3.247 2.665 4.016 . 0 0 "[ . 1 . 2]" 1
948 1 78 ASN HD21 1 102 GLU H . . 5.280 4.330 3.206 5.279 . 0 0 "[ . 1 . 2]" 1
949 1 79 GLY H 1 80 ILE H . . 4.010 3.248 3.063 3.421 . 0 0 "[ . 1 . 2]" 1
950 1 79 GLY H 1 102 GLU HB3 . . 5.000 3.986 3.068 4.883 . 0 0 "[ . 1 . 2]" 1
951 1 80 ILE H 1 80 ILE HB . . 3.150 2.437 2.292 2.629 . 0 0 "[ . 1 . 2]" 1
952 1 80 ILE H 1 80 ILE MD . . 3.640 2.027 1.849 3.080 . 0 0 "[ . 1 . 2]" 1
953 1 80 ILE H 1 80 ILE HG12 . . 3.880 3.709 3.502 3.838 . 0 0 "[ . 1 . 2]" 1
954 1 80 ILE H 1 80 ILE HG13 . . 3.130 2.655 2.261 2.940 . 0 0 "[ . 1 . 2]" 1
955 1 80 ILE H 1 80 ILE MG . . 4.000 3.704 3.676 3.719 . 0 0 "[ . 1 . 2]" 1
956 1 80 ILE HA 1 80 ILE MD . . 3.640 3.525 3.351 3.813 0.173 11 0 "[ . 1 . 2]" 1
957 1 80 ILE HA 1 80 ILE HG12 . . 3.670 3.377 2.795 3.502 . 0 0 "[ . 1 . 2]" 1
958 1 80 ILE HA 1 80 ILE HG13 . . 3.500 2.389 2.305 2.565 . 0 0 "[ . 1 . 2]" 1
959 1 80 ILE HA 1 80 ILE MG . . 3.140 2.412 2.253 2.503 . 0 0 "[ . 1 . 2]" 1
960 1 80 ILE HA 1 81 PRO HD2 . . 2.820 2.319 2.272 2.354 . 0 0 "[ . 1 . 2]" 1
961 1 80 ILE HA 1 81 PRO HD3 . . 2.910 1.931 1.919 1.955 . 0 0 "[ . 1 . 2]" 1
962 1 80 ILE HA 1 81 PRO HG3 . . 4.260 4.186 4.178 4.200 . 0 0 "[ . 1 . 2]" 1
963 1 80 ILE HB 1 80 ILE MD . . 3.110 1.978 1.948 2.021 . 0 0 "[ . 1 . 2]" 1
964 1 80 ILE HB 1 93 ILE MD . . 3.820 3.625 3.081 3.849 0.029 11 0 "[ . 1 . 2]" 1
965 1 80 ILE MG 1 81 PRO HD2 . . 3.520 2.155 1.980 2.377 . 0 0 "[ . 1 . 2]" 1
966 1 80 ILE MG 1 81 PRO HD3 . . 3.200 3.262 3.136 3.414 0.214 2 0 "[ . 1 . 2]" 1
967 1 80 ILE MG 1 81 PRO HG2 . . 4.140 3.931 3.776 4.121 . 0 0 "[ . 1 . 2]" 1
968 1 80 ILE MG 1 85 LYS QE . . 3.360 3.279 2.896 3.406 0.046 16 0 "[ . 1 . 2]" 1
969 1 80 ILE MG 1 93 ILE MD . . 3.220 1.837 1.731 1.998 . 0 0 "[ . 1 . 2]" 1
970 1 81 PRO HA 1 82 LEU H . . 3.230 2.269 2.206 2.327 . 0 0 "[ . 1 . 2]" 1
971 1 81 PRO HA 1 82 LEU HG . . 4.900 3.530 3.374 3.888 . 0 0 "[ . 1 . 2]" 1
972 1 81 PRO HA 1 83 THR H . . 4.550 3.798 3.033 4.134 . 0 0 "[ . 1 . 2]" 1
973 1 81 PRO HB2 1 82 LEU H . . 4.310 3.216 2.995 4.153 . 0 0 "[ . 1 . 2]" 1
974 1 81 PRO HB2 1 83 THR H . . 5.360 2.691 2.395 3.685 . 0 0 "[ . 1 . 2]" 1
975 1 81 PRO HB3 1 82 LEU H . . 4.680 3.687 3.549 4.368 . 0 0 "[ . 1 . 2]" 1
976 1 81 PRO HB3 1 83 THR H . . 4.560 3.995 3.741 4.464 . 0 0 "[ . 1 . 2]" 1
977 1 82 LEU H 1 82 LEU HB2 . . 3.790 2.762 2.481 3.580 . 0 0 "[ . 1 . 2]" 1
978 1 82 LEU H 1 82 LEU HB3 . . 3.930 3.668 3.061 3.780 . 0 0 "[ . 1 . 2]" 1
979 1 82 LEU H 1 82 LEU QD . . 4.010 3.099 1.818 3.474 . 0 0 "[ . 1 . 2]" 1
980 1 82 LEU H 1 82 LEU HG . . 3.360 2.707 1.990 3.003 . 0 0 "[ . 1 . 2]" 1
981 1 82 LEU H 1 83 THR H . . 2.740 2.412 1.890 2.748 0.008 6 0 "[ . 1 . 2]" 1
982 1 82 LEU HA 1 82 LEU QD . . 3.180 2.279 1.970 3.215 0.035 15 0 "[ . 1 . 2]" 1
983 1 82 LEU HA 1 85 LYS HG2 . . 4.290 3.780 3.215 4.209 . 0 0 "[ . 1 . 2]" 1
984 1 82 LEU HA 1 85 LYS HG3 . . 4.080 2.327 1.982 2.659 . 0 0 "[ . 1 . 2]" 1
985 1 82 LEU HA 1 90 VAL MG2 . . 4.370 2.936 2.617 3.299 . 0 0 "[ . 1 . 2]" 1
986 1 82 LEU HB2 1 82 LEU QD . . 3.220 2.257 2.143 2.405 . 0 0 "[ . 1 . 2]" 1
987 1 82 LEU HB2 1 83 THR H . . 4.420 3.992 2.900 4.386 . 0 0 "[ . 1 . 2]" 1
988 1 82 LEU HB2 1 90 VAL MG2 . . 5.500 3.493 1.909 4.185 . 0 0 "[ . 1 . 2]" 1
989 1 82 LEU HB3 1 90 VAL MG1 . . 4.590 2.126 1.876 2.582 . 0 0 "[ . 1 . 2]" 1
990 1 82 LEU HB3 1 90 VAL MG2 . . 3.510 2.337 2.096 2.964 . 0 0 "[ . 1 . 2]" 1
991 1 82 LEU QD 1 85 LYS HG3 . . 4.210 3.660 3.345 4.197 . 0 0 "[ . 1 . 2]" 1
992 1 82 LEU QD 1 90 VAL MG2 . . 3.520 2.610 2.166 3.002 . 0 0 "[ . 1 . 2]" 1
993 1 82 LEU HG 1 90 VAL MG1 . . 3.720 3.714 3.650 3.774 0.054 11 0 "[ . 1 . 2]" 1
994 1 83 THR H 1 83 THR HB . . 3.230 2.460 2.206 2.718 . 0 0 "[ . 1 . 2]" 1
995 1 83 THR H 1 83 THR MG . . 4.060 3.744 3.661 3.819 . 0 0 "[ . 1 . 2]" 1
996 1 83 THR H 1 84 SER H . . 5.500 4.548 4.433 4.656 . 0 0 "[ . 1 . 2]" 1
997 1 83 THR H 1 85 LYS H . . 5.500 4.989 4.733 5.441 . 0 0 "[ . 1 . 2]" 1
998 1 83 THR HA 1 83 THR MG . . 3.160 2.338 2.134 2.542 . 0 0 "[ . 1 . 2]" 1
999 1 83 THR HA 1 84 SER H . . 3.210 2.207 2.152 2.265 . 0 0 "[ . 1 . 2]" 1
1000 1 83 THR HA 1 85 LYS H . . 5.500 3.486 3.306 3.849 . 0 0 "[ . 1 . 2]" 1
1001 1 83 THR HB 1 84 SER H . . 4.630 4.171 3.960 4.437 . 0 0 "[ . 1 . 2]" 1
1002 1 83 THR MG 1 84 SER H . . 3.500 2.473 2.080 2.852 . 0 0 "[ . 1 . 2]" 1
1003 1 83 THR MG 1 84 SER HB2 . . 4.410 3.122 2.567 4.164 . 0 0 "[ . 1 . 2]" 1
1004 1 83 THR MG 1 84 SER HB3 . . 4.400 4.053 2.708 4.414 0.014 10 0 "[ . 1 . 2]" 1
1005 1 84 SER H 1 85 LYS H . . 3.800 2.529 2.298 2.666 . 0 0 "[ . 1 . 2]" 1
1006 1 84 SER H 1 85 LYS HG2 . . 4.580 4.057 3.709 4.373 . 0 0 "[ . 1 . 2]" 1
1007 1 84 SER HA 1 85 LYS H . . 3.530 2.908 2.748 2.972 . 0 0 "[ . 1 . 2]" 1
1008 1 85 LYS H 1 85 LYS HB2 . . 3.140 2.755 2.604 2.871 . 0 0 "[ . 1 . 2]" 1
1009 1 85 LYS H 1 85 LYS HG2 . . 3.370 2.721 2.539 2.862 . 0 0 "[ . 1 . 2]" 1
1010 1 85 LYS H 1 85 LYS HG3 . . 4.020 3.706 3.136 3.964 . 0 0 "[ . 1 . 2]" 1
1011 1 85 LYS H 1 86 THR H . . 4.980 4.305 4.172 4.411 . 0 0 "[ . 1 . 2]" 1
1012 1 85 LYS H 1 90 VAL MG2 . . 4.490 3.806 3.495 3.983 . 0 0 "[ . 1 . 2]" 1
1013 1 85 LYS HA 1 86 THR H . . 3.240 2.819 2.642 2.988 . 0 0 "[ . 1 . 2]" 1
1014 1 85 LYS HB2 1 85 LYS QD . . 3.750 3.234 3.003 3.357 . 0 0 "[ . 1 . 2]" 1
1015 1 85 LYS HB2 1 85 LYS QE . . 4.220 3.952 3.670 4.147 . 0 0 "[ . 1 . 2]" 1
1016 1 85 LYS HB2 1 86 THR H . . 3.460 2.843 2.528 3.202 . 0 0 "[ . 1 . 2]" 1
1017 1 85 LYS HB2 1 89 GLU HB2 . . 3.880 3.837 3.587 3.935 0.055 16 0 "[ . 1 . 2]" 1
1018 1 85 LYS HB2 1 90 VAL MG2 . . 2.810 1.918 1.837 2.145 . 0 0 "[ . 1 . 2]" 1
1019 1 85 LYS HB3 1 86 THR H . . 4.150 2.091 1.958 2.258 . 0 0 "[ . 1 . 2]" 1
1020 1 85 LYS HB3 1 89 GLU HB2 . . 3.710 2.603 2.464 2.883 . 0 0 "[ . 1 . 2]" 1
1021 1 85 LYS HB3 1 90 VAL MG2 . . 3.410 2.600 2.284 2.916 . 0 0 "[ . 1 . 2]" 1
1022 1 85 LYS QD 1 86 THR H . . 4.790 3.731 3.500 3.878 . 0 0 "[ . 1 . 2]" 1
1023 1 85 LYS QE 1 85 LYS HG2 . . 3.140 2.874 2.684 3.146 0.006 11 0 "[ . 1 . 2]" 1
1024 1 85 LYS QE 1 85 LYS HG3 . . 3.140 2.095 1.983 2.206 . 0 0 "[ . 1 . 2]" 1
1025 1 85 LYS HG2 1 86 THR H . . 5.010 4.640 4.533 4.789 . 0 0 "[ . 1 . 2]" 1
1026 1 85 LYS HG2 1 90 VAL MG2 . . 4.040 4.012 3.819 4.101 0.061 17 0 "[ . 1 . 2]" 1
1027 1 86 THR H 1 86 THR MG . . 2.940 2.798 2.451 2.999 0.059 16 0 "[ . 1 . 2]" 1
1028 1 86 THR H 1 89 GLU H . . 4.300 3.730 3.596 3.854 . 0 0 "[ . 1 . 2]" 1
1029 1 86 THR H 1 89 GLU HB2 . . 3.460 1.973 1.939 2.097 . 0 0 "[ . 1 . 2]" 1
1030 1 86 THR H 1 89 GLU HB3 . . 3.870 3.391 3.171 3.655 . 0 0 "[ . 1 . 2]" 1
1031 1 86 THR H 1 89 GLU HG2 . . 4.790 4.493 3.272 4.816 0.026 1 0 "[ . 1 . 2]" 1
1032 1 86 THR H 1 90 VAL H . . 5.500 3.004 2.689 3.261 . 0 0 "[ . 1 . 2]" 1
1033 1 86 THR H 1 90 VAL MG2 . . 5.500 2.863 2.538 3.233 . 0 0 "[ . 1 . 2]" 1
1034 1 86 THR HA 1 86 THR HB . . 2.890 2.521 2.396 2.642 . 0 0 "[ . 1 . 2]" 1
1035 1 86 THR HA 1 86 THR MG . . 3.050 2.459 2.329 2.612 . 0 0 "[ . 1 . 2]" 1
1036 1 86 THR HA 1 87 TYR H . . 2.970 2.342 2.239 2.455 . 0 0 "[ . 1 . 2]" 1
1037 1 86 THR MG 1 87 TYR H . . 4.370 3.930 3.747 4.180 . 0 0 "[ . 1 . 2]" 1
1038 1 86 THR MG 1 89 GLU H . . 4.770 4.383 4.088 4.675 . 0 0 "[ . 1 . 2]" 1
1039 1 87 TYR H 1 87 TYR HB2 . . 3.260 2.187 2.116 2.360 . 0 0 "[ . 1 . 2]" 1
1040 1 87 TYR H 1 87 TYR HB3 . . 3.240 2.574 2.376 2.673 . 0 0 "[ . 1 . 2]" 1
1041 1 87 TYR H 1 87 TYR QD . . 4.520 4.049 3.997 4.097 . 0 0 "[ . 1 . 2]" 1
1042 1 87 TYR HA 1 87 TYR QD . . 3.520 3.163 2.781 3.243 . 0 0 "[ . 1 . 2]" 1
1043 1 87 TYR HA 1 87 TYR QE . . 4.840 4.831 4.761 4.873 0.033 9 0 "[ . 1 . 2]" 1
1044 1 87 TYR HA 1 90 VAL H . . 5.060 4.201 3.839 4.349 . 0 0 "[ . 1 . 2]" 1
1045 1 87 TYR HA 1 90 VAL HB . . 3.770 3.019 2.730 3.173 . 0 0 "[ . 1 . 2]" 1
1046 1 87 TYR HA 1 90 VAL MG2 . . 4.220 3.418 3.134 3.853 . 0 0 "[ . 1 . 2]" 1
1047 1 87 TYR HA 1 91 GLN H . . 5.130 3.847 3.629 4.188 . 0 0 "[ . 1 . 2]" 1
1048 1 87 TYR HB2 1 88 GLU H . . 4.250 3.580 3.485 3.872 . 0 0 "[ . 1 . 2]" 1
1049 1 87 TYR HB3 1 88 GLU H . . 3.160 2.106 1.946 2.579 . 0 0 "[ . 1 . 2]" 1
1050 1 87 TYR QD 1 88 GLU H . . 3.680 2.941 2.420 3.456 . 0 0 "[ . 1 . 2]" 1
1051 1 87 TYR QD 1 88 GLU HA . . 3.700 2.609 2.397 3.379 . 0 0 "[ . 1 . 2]" 1
1052 1 87 TYR QD 1 88 GLU HG2 . . 3.770 3.181 2.739 4.284 0.514 18 1 "[ . 1 . + 2]" 1
1053 1 87 TYR QD 1 88 GLU HG3 . . 4.530 3.970 2.941 4.527 . 0 0 "[ . 1 . 2]" 1
1054 1 87 TYR QE 1 88 GLU HA . . 4.620 4.285 3.909 4.616 . 0 0 "[ . 1 . 2]" 1
1055 1 87 TYR QE 1 88 GLU HG2 . . 5.010 4.537 3.797 5.526 0.516 18 1 "[ . 1 . + 2]" 1
1056 1 87 TYR QE 1 91 GLN HB2 . . 4.870 3.940 3.471 4.817 . 0 0 "[ . 1 . 2]" 1
1057 1 87 TYR QE 1 91 GLN HG2 . . 5.080 4.697 3.611 5.082 0.002 14 0 "[ . 1 . 2]" 1
1058 1 87 TYR QE 1 91 GLN HG3 . . 4.340 3.341 2.572 3.966 . 0 0 "[ . 1 . 2]" 1
1059 1 88 GLU H 1 88 GLU HB2 . . 3.500 2.138 2.064 2.175 . 0 0 "[ . 1 . 2]" 1
1060 1 88 GLU H 1 88 GLU HB3 . . 3.460 3.437 3.343 3.466 0.006 17 0 "[ . 1 . 2]" 1
1061 1 88 GLU H 1 88 GLU HG2 . . 4.260 3.358 3.086 4.080 . 0 0 "[ . 1 . 2]" 1
1062 1 88 GLU H 1 88 GLU HG3 . . 4.950 3.208 2.855 3.672 . 0 0 "[ . 1 . 2]" 1
1063 1 88 GLU H 1 89 GLU H . . 3.720 3.077 2.850 3.210 . 0 0 "[ . 1 . 2]" 1
1064 1 88 GLU HA 1 88 GLU HB3 . . 2.780 2.759 2.727 2.803 0.023 14 0 "[ . 1 . 2]" 1
1065 1 88 GLU HA 1 88 GLU HG2 . . 3.380 2.068 1.998 2.692 . 0 0 "[ . 1 . 2]" 1
1066 1 88 GLU HA 1 88 GLU HG3 . . 3.900 3.234 2.301 3.460 . 0 0 "[ . 1 . 2]" 1
1067 1 88 GLU HA 1 91 GLN H . . 4.090 3.792 3.599 3.942 . 0 0 "[ . 1 . 2]" 1
1068 1 88 GLU HA 1 92 SER H . . 4.550 4.056 3.772 4.530 . 0 0 "[ . 1 . 2]" 1
1069 1 88 GLU HB2 1 89 GLU H . . 3.900 2.545 2.435 2.651 . 0 0 "[ . 1 . 2]" 1
1070 1 88 GLU HB3 1 88 GLU HG2 . . 3.010 2.839 2.356 2.985 . 0 0 "[ . 1 . 2]" 1
1071 1 88 GLU HB3 1 89 GLU H . . 3.960 2.647 2.526 2.981 . 0 0 "[ . 1 . 2]" 1
1072 1 88 GLU HG3 1 89 GLU H . . 5.180 4.719 4.631 4.798 . 0 0 "[ . 1 . 2]" 1
1073 1 89 GLU H 1 89 GLU HB2 . . 3.140 2.489 2.327 2.608 . 0 0 "[ . 1 . 2]" 1
1074 1 89 GLU H 1 89 GLU HB3 . . 3.600 3.562 3.527 3.574 . 0 0 "[ . 1 . 2]" 1
1075 1 89 GLU H 1 89 GLU HG2 . . 3.860 3.060 2.312 3.530 . 0 0 "[ . 1 . 2]" 1
1076 1 89 GLU H 1 89 GLU HG3 . . 3.550 2.449 1.946 3.823 0.273 12 0 "[ . 1 . 2]" 1
1077 1 89 GLU H 1 90 VAL H . . 3.530 3.226 2.976 3.338 . 0 0 "[ . 1 . 2]" 1
1078 1 89 GLU H 1 90 VAL MG2 . . 5.180 4.559 4.356 4.814 . 0 0 "[ . 1 . 2]" 1
1079 1 89 GLU H 1 91 GLN H . . 4.780 4.617 4.257 4.772 . 0 0 "[ . 1 . 2]" 1
1080 1 89 GLU HA 1 89 GLU HG2 . . 3.170 2.467 2.156 3.662 0.492 16 0 "[ . 1 . 2]" 1
1081 1 89 GLU HA 1 89 GLU HG3 . . 3.580 3.094 2.657 3.603 0.023 7 0 "[ . 1 . 2]" 1
1082 1 89 GLU HA 1 91 GLN H . . 4.980 4.835 4.393 4.984 0.004 1 0 "[ . 1 . 2]" 1
1083 1 89 GLU HA 1 92 SER H . . 4.260 3.633 3.291 3.843 . 0 0 "[ . 1 . 2]" 1
1084 1 89 GLU HB2 1 90 VAL H . . 3.890 2.250 2.106 2.425 . 0 0 "[ . 1 . 2]" 1
1085 1 89 GLU HB2 1 90 VAL MG2 . . 4.030 3.227 2.968 3.557 . 0 0 "[ . 1 . 2]" 1
1086 1 89 GLU HB3 1 90 VAL H . . 3.290 3.061 2.814 3.302 0.012 14 0 "[ . 1 . 2]" 1
1087 1 90 VAL H 1 90 VAL HB . . 3.180 2.521 2.391 2.635 . 0 0 "[ . 1 . 2]" 1
1088 1 90 VAL H 1 90 VAL MG1 . . 4.040 3.706 3.699 3.714 . 0 0 "[ . 1 . 2]" 1
1089 1 90 VAL H 1 90 VAL MG2 . . 3.110 2.024 1.883 2.239 . 0 0 "[ . 1 . 2]" 1
1090 1 90 VAL H 1 91 GLN H . . 3.510 3.106 2.944 3.179 . 0 0 "[ . 1 . 2]" 1
1091 1 90 VAL H 1 93 ILE MD . . 5.500 4.100 3.487 4.498 . 0 0 "[ . 1 . 2]" 1
1092 1 90 VAL HA 1 90 VAL MG1 . . 3.070 2.452 2.293 2.575 . 0 0 "[ . 1 . 2]" 1
1093 1 90 VAL HA 1 90 VAL MG2 . . 2.820 2.310 2.158 2.407 . 0 0 "[ . 1 . 2]" 1
1094 1 90 VAL HA 1 93 ILE H . . 3.570 3.405 3.073 3.592 0.022 17 0 "[ . 1 . 2]" 1
1095 1 90 VAL HA 1 93 ILE HB . . 3.150 2.549 2.275 2.678 . 0 0 "[ . 1 . 2]" 1
1096 1 90 VAL HA 1 93 ILE MD . . 3.150 2.604 2.275 2.922 . 0 0 "[ . 1 . 2]" 1
1097 1 90 VAL HA 1 94 ILE H . . 5.500 4.244 3.621 4.453 . 0 0 "[ . 1 . 2]" 1
1098 1 90 VAL MG1 1 91 GLN H . . 3.790 3.148 2.874 3.537 . 0 0 "[ . 1 . 2]" 1
1099 1 90 VAL MG1 1 91 GLN HA . . 4.310 3.357 3.003 3.667 . 0 0 "[ . 1 . 2]" 1
1100 1 90 VAL MG1 1 93 ILE H . . 5.500 4.470 4.095 4.687 . 0 0 "[ . 1 . 2]" 1
1101 1 90 VAL MG1 1 94 ILE MD . . 2.910 1.914 1.782 2.245 . 0 0 "[ . 1 . 2]" 1
1102 1 90 VAL MG2 1 91 GLN H . . 4.130 3.777 3.675 3.908 . 0 0 "[ . 1 . 2]" 1
1103 1 91 GLN H 1 91 GLN HB2 . . 2.920 2.063 2.037 2.149 . 0 0 "[ . 1 . 2]" 1
1104 1 91 GLN H 1 91 GLN HB3 . . 3.270 3.132 2.918 3.270 0.000 17 0 "[ . 1 . 2]" 1
1105 1 91 GLN H 1 91 GLN HG3 . . 4.140 3.890 3.470 4.540 0.400 15 0 "[ . 1 . 2]" 1
1106 1 91 GLN H 1 92 SER H . . 3.810 3.076 2.751 3.237 . 0 0 "[ . 1 . 2]" 1
1107 1 91 GLN H 1 93 ILE HB . . 5.500 5.055 4.917 5.142 . 0 0 "[ . 1 . 2]" 1
1108 1 91 GLN H 1 95 SER H . . 5.470 5.576 5.486 5.651 0.181 16 0 "[ . 1 . 2]" 1
1109 1 91 GLN HA 1 91 GLN HB2 . . 2.900 2.762 2.635 2.835 . 0 0 "[ . 1 . 2]" 1
1110 1 91 GLN HA 1 91 GLN HG2 . . 3.740 2.164 1.992 2.568 . 0 0 "[ . 1 . 2]" 1
1111 1 91 GLN HA 1 91 GLN HG3 . . 3.750 3.023 2.402 3.640 . 0 0 "[ . 1 . 2]" 1
1112 1 91 GLN HA 1 94 ILE H . . 4.460 3.293 3.093 3.588 . 0 0 "[ . 1 . 2]" 1
1113 1 91 GLN HA 1 94 ILE HB . . 4.380 3.269 2.917 4.530 0.150 9 0 "[ . 1 . 2]" 1
1114 1 91 GLN HA 1 94 ILE MD . . 3.750 3.112 1.968 3.853 0.103 16 0 "[ . 1 . 2]" 1
1115 1 91 GLN HA 1 94 ILE HG12 . . 3.820 3.467 1.930 3.855 0.035 17 0 "[ . 1 . 2]" 1
1116 1 91 GLN HA 1 94 ILE HG13 . . 3.360 2.238 2.020 3.281 . 0 0 "[ . 1 . 2]" 1
1117 1 91 GLN HA 1 95 SER H . . 5.040 3.380 3.155 3.596 . 0 0 "[ . 1 . 2]" 1
1118 1 91 GLN HB2 1 92 SER H . . 3.460 3.273 3.007 3.492 0.032 6 0 "[ . 1 . 2]" 1
1119 1 91 GLN HB3 1 92 SER H . . 3.930 2.463 2.164 2.846 . 0 0 "[ . 1 . 2]" 1
1120 1 91 GLN HG2 1 92 SER H . . 4.740 4.659 4.009 4.915 0.175 15 0 "[ . 1 . 2]" 1
1121 1 91 GLN HG3 1 92 SER H . . 5.500 5.017 4.596 5.301 . 0 0 "[ . 1 . 2]" 1
1122 1 92 SER H 1 92 SER QB . . 2.930 2.093 2.001 2.215 . 0 0 "[ . 1 . 2]" 1
1123 1 92 SER H 1 93 ILE HB . . 5.180 4.820 4.588 4.944 . 0 0 "[ . 1 . 2]" 1
1124 1 92 SER HA 1 95 SER H . . 4.880 3.660 3.447 4.059 . 0 0 "[ . 1 . 2]" 1
1125 1 92 SER QB 1 93 ILE H . . 3.740 2.611 2.380 2.882 . 0 0 "[ . 1 . 2]" 1
1126 1 92 SER QB 1 93 ILE HG13 . . 3.570 3.302 3.035 3.514 . 0 0 "[ . 1 . 2]" 1
1127 1 93 ILE H 1 93 ILE HB . . 2.930 2.230 2.170 2.385 . 0 0 "[ . 1 . 2]" 1
1128 1 93 ILE H 1 93 ILE MD . . 3.640 3.489 3.356 3.658 0.018 15 0 "[ . 1 . 2]" 1
1129 1 93 ILE H 1 93 ILE HG12 . . 3.700 3.726 3.519 3.775 0.075 10 0 "[ . 1 . 2]" 1
1130 1 93 ILE H 1 93 ILE HG13 . . 3.330 2.440 2.206 2.561 . 0 0 "[ . 1 . 2]" 1
1131 1 93 ILE H 1 93 ILE MG . . 4.100 3.645 3.609 3.715 . 0 0 "[ . 1 . 2]" 1
1132 1 93 ILE H 1 95 SER H . . 4.570 4.405 3.532 4.611 0.041 15 0 "[ . 1 . 2]" 1
1133 1 93 ILE HA 1 93 ILE MD . . 3.830 3.785 3.754 3.843 0.013 9 0 "[ . 1 . 2]" 1
1134 1 93 ILE HA 1 93 ILE HG12 . . 3.130 2.499 2.401 2.592 . 0 0 "[ . 1 . 2]" 1
1135 1 93 ILE HA 1 93 ILE HG13 . . 3.010 2.686 2.577 2.940 . 0 0 "[ . 1 . 2]" 1
1136 1 93 ILE HA 1 93 ILE MG . . 3.170 2.589 2.398 2.653 . 0 0 "[ . 1 . 2]" 1
1137 1 93 ILE HB 1 94 ILE H . . 3.770 2.814 2.341 2.986 . 0 0 "[ . 1 . 2]" 1
1138 1 93 ILE HB 1 94 ILE MD . . 4.590 4.326 2.043 4.574 . 0 0 "[ . 1 . 2]" 1
1139 1 93 ILE MD 1 93 ILE MG . . 3.720 1.978 1.922 2.148 . 0 0 "[ . 1 . 2]" 1
1140 1 93 ILE MG 1 94 ILE H . . 3.560 3.158 2.908 3.386 . 0 0 "[ . 1 . 2]" 1
1141 1 93 ILE MG 1 94 ILE HA . . 3.790 3.236 3.108 3.469 . 0 0 "[ . 1 . 2]" 1
1142 1 93 ILE MG 1 94 ILE MG . . 3.980 3.896 2.901 4.078 0.098 16 0 "[ . 1 . 2]" 1
1143 1 94 ILE H 1 94 ILE HB . . 3.510 2.919 2.763 3.532 0.022 19 0 "[ . 1 . 2]" 1
1144 1 94 ILE H 1 94 ILE MD . . 4.070 3.437 2.259 3.614 . 0 0 "[ . 1 . 2]" 1
1145 1 94 ILE H 1 94 ILE HG12 . . 3.480 2.095 1.898 2.198 . 0 0 "[ . 1 . 2]" 1
1146 1 94 ILE H 1 94 ILE HG13 . . 3.530 2.349 2.009 3.437 . 0 0 "[ . 1 . 2]" 1
1147 1 94 ILE H 1 94 ILE MG . . 3.790 3.489 2.354 3.708 . 0 0 "[ . 1 . 2]" 1
1148 1 94 ILE H 1 95 SER H . . 3.690 2.663 2.482 2.762 . 0 0 "[ . 1 . 2]" 1
1149 1 94 ILE HA 1 94 ILE MD . . 3.840 3.595 2.049 4.078 0.238 19 0 "[ . 1 . 2]" 1
1150 1 94 ILE HA 1 94 ILE HG12 . . 3.500 2.938 2.731 3.613 0.113 16 0 "[ . 1 . 2]" 1
1151 1 94 ILE HA 1 94 ILE HG13 . . 3.840 3.761 3.705 3.945 0.105 9 0 "[ . 1 . 2]" 1
1152 1 94 ILE HA 1 94 ILE MG . . 3.010 2.217 2.155 2.256 . 0 0 "[ . 1 . 2]" 1
1153 1 94 ILE HB 1 94 ILE MD . . 3.430 2.676 2.567 3.184 . 0 0 "[ . 1 . 2]" 1
1154 1 94 ILE HB 1 95 SER H . . 4.490 2.495 2.093 3.926 . 0 0 "[ . 1 . 2]" 1
1155 1 94 ILE MD 1 95 SER H . . 4.890 4.328 3.797 4.544 . 0 0 "[ . 1 . 2]" 1
1156 1 94 ILE HG12 1 94 ILE MG . . 3.100 2.762 2.654 3.215 0.115 16 0 "[ . 1 . 2]" 1
1157 1 94 ILE HG12 1 95 SER H . . 4.750 3.848 2.153 4.237 . 0 0 "[ . 1 . 2]" 1
1158 1 94 ILE HG13 1 94 ILE MG . . 3.130 3.121 2.338 3.188 0.058 19 0 "[ . 1 . 2]" 1
1159 1 94 ILE HG13 1 95 SER H . . 5.030 3.371 2.528 4.501 . 0 0 "[ . 1 . 2]" 1
1160 1 94 ILE MG 1 95 SER H . . 4.380 3.754 3.559 4.118 . 0 0 "[ . 1 . 2]" 1
1161 1 95 SER H 1 95 SER QB . . 3.150 2.163 2.004 2.737 . 0 0 "[ . 1 . 2]" 1
1162 1 95 SER HA 1 95 SER QB . . 2.780 2.488 2.199 2.568 . 0 0 "[ . 1 . 2]" 1
1163 1 96 GLN HA 1 96 GLN HG2 . . 3.840 2.796 2.125 3.982 0.142 15 0 "[ . 1 . 2]" 1
1164 1 96 GLN HB3 1 96 GLN HG2 . . 2.910 2.515 2.270 3.056 0.146 5 0 "[ . 1 . 2]" 1
1165 1 97 GLN HA 1 97 GLN QG . . 3.660 3.000 2.303 3.477 . 0 0 "[ . 1 . 2]" 1
1166 1 97 GLN QG 1 98 SER H . . 5.500 3.570 2.277 4.737 . 0 0 "[ . 1 . 2]" 1
1167 1 100 GLU H 1 100 GLU HA . . 2.850 2.585 2.169 2.894 0.044 11 0 "[ . 1 . 2]" 1
1168 1 100 GLU H 1 100 GLU HB3 . . 3.460 2.907 2.276 4.047 0.587 8 1 "[ . + 1 . 2]" 1
1169 1 100 GLU H 1 100 GLU QG . . 4.090 3.053 1.938 4.046 . 0 0 "[ . 1 . 2]" 1
1170 1 100 GLU H 1 101 ALA H . . 5.500 4.553 4.227 4.674 . 0 0 "[ . 1 . 2]" 1
1171 1 100 GLU HA 1 100 GLU QG . . 3.710 3.062 2.279 3.531 . 0 0 "[ . 1 . 2]" 1
1172 1 100 GLU HA 1 101 ALA H . . 3.340 2.494 2.259 2.797 . 0 0 "[ . 1 . 2]" 1
1173 1 100 GLU HB2 1 101 ALA H . . 3.690 2.978 2.051 4.187 0.497 15 0 "[ . 1 . 2]" 1
1174 1 100 GLU HB3 1 101 ALA H . . 4.820 3.615 2.136 4.227 . 0 0 "[ . 1 . 2]" 1
1175 1 100 GLU QG 1 101 ALA H . . 3.940 3.307 1.919 3.968 0.028 8 0 "[ . 1 . 2]" 1
1176 1 101 ALA H 1 101 ALA MB . . 3.480 2.724 2.485 2.916 . 0 0 "[ . 1 . 2]" 1
1177 1 101 ALA H 1 102 GLU H . . 5.500 4.296 3.905 4.432 . 0 0 "[ . 1 . 2]" 1
1178 1 101 ALA HA 1 102 GLU H . . 2.910 2.394 2.186 2.655 . 0 0 "[ . 1 . 2]" 1
1179 1 101 ALA MB 1 102 GLU H . . 3.470 2.675 2.115 3.319 . 0 0 "[ . 1 . 2]" 1
1180 1 102 GLU H 1 102 GLU HB3 . . 3.240 3.218 2.939 3.644 0.404 3 0 "[ . 1 . 2]" 1
1181 1 102 GLU H 1 102 GLU HG2 . . 4.480 4.605 4.228 4.808 0.328 6 0 "[ . 1 . 2]" 1
1182 1 102 GLU H 1 103 ILE H . . 5.460 4.530 4.449 4.627 . 0 0 "[ . 1 . 2]" 1
1183 1 102 GLU HA 1 102 GLU HB3 . . 2.960 2.877 2.529 2.981 0.021 11 0 "[ . 1 . 2]" 1
1184 1 102 GLU HA 1 102 GLU HG2 . . 3.540 2.796 2.072 3.347 . 0 0 "[ . 1 . 2]" 1
1185 1 102 GLU HA 1 102 GLU HG3 . . 3.400 2.242 1.958 3.019 . 0 0 "[ . 1 . 2]" 1
1186 1 102 GLU HA 1 103 ILE H . . 3.060 2.298 2.244 2.565 . 0 0 "[ . 1 . 2]" 1
1187 1 102 GLU HB3 1 103 ILE H . . 3.480 3.388 2.317 3.506 0.026 5 0 "[ . 1 . 2]" 1
1188 1 102 GLU HG2 1 103 ILE H . . 4.230 3.341 2.387 4.244 0.014 3 0 "[ . 1 . 2]" 1
1189 1 102 GLU HG3 1 103 ILE H . . 4.270 3.707 2.892 4.294 0.024 3 0 "[ . 1 . 2]" 1
1190 1 103 ILE H 1 103 ILE HB . . 3.430 3.198 2.701 3.469 0.039 11 0 "[ . 1 . 2]" 1
1191 1 103 ILE H 1 103 ILE MD . . 4.510 4.530 4.328 4.627 0.117 3 0 "[ . 1 . 2]" 1
1192 1 103 ILE H 1 103 ILE HG12 . . 5.110 4.484 4.060 4.993 . 0 0 "[ . 1 . 2]" 1
1193 1 103 ILE H 1 103 ILE MG . . 3.310 2.172 1.897 3.322 0.012 3 0 "[ . 1 . 2]" 1
1194 1 103 ILE H 1 104 CYS H . . 4.770 4.376 4.188 4.490 . 0 0 "[ . 1 . 2]" 1
1195 1 103 ILE HA 1 103 ILE HG13 . . 3.920 2.650 2.108 3.479 . 0 0 "[ . 1 . 2]" 1
1196 1 103 ILE HA 1 103 ILE MG . . 3.600 3.166 2.895 3.215 . 0 0 "[ . 1 . 2]" 1
1197 1 103 ILE HA 1 104 CYS H . . 3.180 2.273 2.179 2.369 . 0 0 "[ . 1 . 2]" 1
1198 1 103 ILE HB 1 104 CYS H . . 4.340 4.085 3.782 4.308 . 0 0 "[ . 1 . 2]" 1
1199 1 103 ILE HG12 1 104 CYS H . . 4.500 3.346 2.613 3.863 . 0 0 "[ . 1 . 2]" 1
1200 1 103 ILE HG13 1 104 CYS H . . 3.820 2.790 2.038 4.526 0.706 12 1 "[ . 1 + . 2]" 1
1201 1 104 CYS H 1 104 CYS QB . . 3.730 2.606 2.336 2.780 . 0 0 "[ . 1 . 2]" 1
1202 1 104 CYS HA 1 105 VAL H . . 2.880 2.246 2.220 2.332 . 0 0 "[ . 1 . 2]" 1
1203 1 104 CYS HA 1 105 VAL QG . . 3.680 3.380 3.270 3.510 . 0 0 "[ . 1 . 2]" 1
1204 1 104 CYS QB 1 105 VAL H . . 4.980 3.801 3.480 4.105 . 0 0 "[ . 1 . 2]" 1
1205 1 105 VAL H 1 105 VAL QG . . 3.060 1.908 1.823 2.017 . 0 0 "[ . 1 . 2]" 1
1206 1 105 VAL HA 1 105 VAL QG . . 2.970 2.264 2.087 2.556 . 0 0 "[ . 1 . 2]" 1
1207 1 105 VAL HA 1 106 ARG H . . 3.030 2.486 2.289 2.789 . 0 0 "[ . 1 . 2]" 1
1208 1 105 VAL HB 1 106 ARG H . . 3.410 2.728 1.942 3.505 0.095 3 0 "[ . 1 . 2]" 1
1209 1 105 VAL QG 1 106 ARG H . . 3.970 2.855 1.845 3.437 . 0 0 "[ . 1 . 2]" 1
1210 1 106 ARG H 1 106 ARG HB2 . . 3.730 2.835 2.525 3.362 . 0 0 "[ . 1 . 2]" 1
1211 1 106 ARG H 1 106 ARG HB3 . . 3.550 2.512 2.294 2.773 . 0 0 "[ . 1 . 2]" 1
1212 1 106 ARG HB2 1 106 ARG HD2 . . 3.820 2.969 2.370 4.108 0.288 20 0 "[ . 1 . 2]" 1
1213 1 106 ARG HB2 1 106 ARG HD3 . . 3.840 3.270 2.317 3.868 0.028 10 0 "[ . 1 . 2]" 1
1214 1 106 ARG HB3 1 106 ARG HD3 . . 4.120 3.037 2.265 3.800 . 0 0 "[ . 1 . 2]" 1
1215 1 106 ARG HD2 1 109 LEU QD . . 3.340 2.883 1.947 3.315 . 0 0 "[ . 1 . 2]" 1
1216 1 106 ARG HD3 1 109 LEU HB2 . . 4.830 2.846 2.072 4.838 0.008 3 0 "[ . 1 . 2]" 1
1217 1 106 ARG HD3 1 109 LEU HB3 . . 5.500 3.531 2.044 5.069 . 0 0 "[ . 1 . 2]" 1
1218 1 106 ARG HD3 1 109 LEU QD . . 4.050 2.792 1.899 3.763 . 0 0 "[ . 1 . 2]" 1
1219 1 106 ARG HG2 1 108 ASP H . . 4.000 2.802 2.290 3.798 . 0 0 "[ . 1 . 2]" 1
1220 1 106 ARG HG3 1 107 LEU H . . 4.480 3.150 2.260 4.158 . 0 0 "[ . 1 . 2]" 1
1221 1 106 ARG HG3 1 108 ASP H . . 4.390 3.862 3.179 4.301 . 0 0 "[ . 1 . 2]" 1
1222 1 107 LEU H 1 107 LEU HB2 . . 3.730 2.471 2.119 2.873 . 0 0 "[ . 1 . 2]" 1
1223 1 107 LEU H 1 107 LEU HB3 . . 3.310 3.489 3.415 3.533 0.223 17 0 "[ . 1 . 2]" 1
1224 1 107 LEU H 1 107 LEU MD1 . . 4.200 3.643 3.219 3.928 . 0 0 "[ . 1 . 2]" 1
1225 1 107 LEU H 1 107 LEU MD2 . . 3.870 3.043 2.024 3.906 0.036 1 0 "[ . 1 . 2]" 1
1226 1 107 LEU H 1 107 LEU HG . . 3.320 2.362 1.918 3.156 . 0 0 "[ . 1 . 2]" 1
1227 1 107 LEU H 1 108 ASP H . . 3.890 3.037 2.740 3.379 . 0 0 "[ . 1 . 2]" 1
1228 1 107 LEU HA 1 107 LEU MD2 . . 2.790 2.083 1.927 2.420 . 0 0 "[ . 1 . 2]" 1
1229 1 107 LEU HB2 1 107 LEU MD1 . . 2.900 2.359 2.155 2.508 . 0 0 "[ . 1 . 2]" 1
1230 1 107 LEU HB2 1 108 ASP H . . 5.120 2.262 2.036 2.531 . 0 0 "[ . 1 . 2]" 1
1231 1 107 LEU HB3 1 107 LEU MD1 . . 3.060 2.327 2.174 2.565 . 0 0 "[ . 1 . 2]" 1
1232 1 107 LEU HB3 1 107 LEU MD2 . . 2.820 2.417 2.146 2.547 . 0 0 "[ . 1 . 2]" 1
1233 1 107 LEU MD1 1 108 ASP H . . 4.320 4.169 3.789 4.346 0.026 19 0 "[ . 1 . 2]" 1
1234 1 107 LEU HG 1 108 ASP H . . 5.500 4.210 3.644 4.695 . 0 0 "[ . 1 . 2]" 1
1235 1 108 ASP H 1 108 ASP HB2 . . 4.130 2.241 2.015 2.677 . 0 0 "[ . 1 . 2]" 1
1236 1 108 ASP H 1 108 ASP HB3 . . 3.950 2.990 2.322 3.523 . 0 0 "[ . 1 . 2]" 1
1237 1 108 ASP H 1 109 LEU H . . 4.600 4.251 3.146 4.667 0.067 3 0 "[ . 1 . 2]" 1
1238 1 109 LEU HA 1 109 LEU QD . . 4.090 2.416 1.829 3.065 . 0 0 "[ . 1 . 2]" 1
1239 1 109 LEU HA 1 109 LEU HG . . 4.010 2.896 2.084 3.656 . 0 0 "[ . 1 . 2]" 1
1240 1 109 LEU HB3 1 110 ASN HA . . 4.480 4.239 3.748 4.490 0.010 3 0 "[ . 1 . 2]" 1
1241 1 109 LEU QD 1 110 ASN HA . . 4.090 3.456 2.670 4.116 0.026 20 0 "[ . 1 . 2]" 1
1242 1 109 LEU QD 1 111 MET QG . . 3.580 2.870 2.195 3.510 . 0 0 "[ . 1 . 2]" 1
1243 1 110 ASN HA 1 111 MET QG . . 4.270 4.156 3.676 4.284 0.014 8 0 "[ . 1 . 2]" 1
1244 1 111 MET H 1 111 MET QG . . 4.540 2.861 2.108 3.615 . 0 0 "[ . 1 . 2]" 1
1245 1 111 MET H 1 112 SER H . . 4.660 3.894 2.427 4.620 . 0 0 "[ . 1 . 2]" 1
1246 1 111 MET HA 1 111 MET QG . . 3.570 2.233 2.082 2.461 . 0 0 "[ . 1 . 2]" 1
1247 1 111 MET ME 1 111 MET QG . . 3.380 2.110 1.940 2.204 . 0 0 "[ . 1 . 2]" 1
1248 1 113 GLY HA2 1 114 PRO QD . . 2.960 2.207 1.863 2.719 . 0 0 "[ . 1 . 2]" 1
1249 1 113 GLY HA3 1 114 PRO QD . . 3.170 2.426 1.978 3.161 . 0 0 "[ . 1 . 2]" 1
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