NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619618 |
5u6h   |
30207 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5u6h
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 1510
_Distance_constraint_stats_list.Viol_count 2288
_Distance_constraint_stats_list.Viol_total 5121.697
_Distance_constraint_stats_list.Viol_max 0.977
_Distance_constraint_stats_list.Viol_rms 0.0520
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.1119
_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 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 THR 0.632 0.226 16 0 "[ . 1 . 2]"
1 7 PRO 1.032 0.226 16 0 "[ . 1 . 2]"
1 8 ILE 0.403 0.083 7 0 "[ . 1 . 2]"
1 9 ARG 0.561 0.121 13 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.853 0.052 14 0 "[ . 1 . 2]"
1 12 LYS 1.966 0.604 13 1 "[ . 1 + . 2]"
1 13 TRP 3.835 0.604 13 1 "[ . 1 + . 2]"
1 14 LEU 1.237 0.054 14 0 "[ . 1 . 2]"
1 15 THR 5.755 0.417 9 0 "[ . 1 . 2]"
1 16 LEU 12.372 0.643 13 5 "[- .* 1* + . *]"
1 17 GLU 19.092 0.710 17 1 "[ . 1 . + 2]"
1 18 VAL 6.850 0.409 3 0 "[ . 1 . 2]"
1 19 CYS 3.151 0.392 11 0 "[ . 1 . 2]"
1 20 ARG 11.845 0.936 2 4 "[ +* . - 1 . *2]"
1 21 GLU 7.369 0.423 19 0 "[ . 1 . 2]"
1 22 PHE 12.946 0.658 6 4 "[-* .+ * 1 . 2]"
1 23 GLN 22.200 0.936 2 8 "[ +*-.** * . * *2]"
1 24 ARG 5.119 0.290 19 0 "[ . 1 . 2]"
1 25 GLY 4.918 0.290 19 0 "[ . 1 . 2]"
1 26 THR 5.465 0.353 5 0 "[ . 1 . 2]"
1 27 CYS 14.926 0.423 19 0 "[ . 1 . 2]"
1 28 SER 0.072 0.010 14 0 "[ . 1 . 2]"
1 29 ARG 1.997 0.083 1 0 "[ . 1 . 2]"
1 30 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASP 0.356 0.027 15 0 "[ . 1 . 2]"
1 32 THR 8.473 0.350 6 0 "[ . 1 . 2]"
1 33 GLU 1.191 0.083 1 0 "[ . 1 . 2]"
1 34 CYS 5.007 0.687 10 3 "[ * . + . - 2]"
1 35 LYS 0.943 0.120 6 0 "[ . 1 . 2]"
1 36 PHE 0.641 0.043 11 0 "[ . 1 . 2]"
1 37 ALA 2.561 0.166 1 0 "[ . 1 . 2]"
1 38 HIS 4.497 0.145 14 0 "[ . 1 . 2]"
1 39 PRO 32.645 0.658 6 7 "[-** .+ **1 * . 2]"
1 40 SER 0.883 0.056 19 0 "[ . 1 . 2]"
1 41 LYS 1.148 0.120 19 0 "[ . 1 . 2]"
1 42 SER 5.388 0.511 2 2 "[ + . 1 . - 2]"
1 43 CYS 2.656 0.227 10 0 "[ . 1 . 2]"
1 44 GLN 12.042 0.575 17 9 "[ ***.* 1** . +-*2]"
1 45 VAL 9.245 0.575 17 9 "[ ***.* 1** . +-*2]"
1 46 GLU 0.595 0.106 5 0 "[ . 1 . 2]"
1 47 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 1.688 0.172 18 0 "[ . 1 . 2]"
1 49 ARG 23.403 0.710 17 1 "[ . 1 . + 2]"
1 50 VAL 19.798 0.644 8 6 "[* * .- +*1 * . 2]"
1 51 ILE 9.254 0.703 8 2 "[ . + 1 - . 2]"
1 52 ALA 0.892 0.262 7 0 "[ . 1 . 2]"
1 53 CYS 1.140 0.060 14 0 "[ . 1 . 2]"
1 54 PHE 1.630 0.045 1 0 "[ . 1 . 2]"
1 55 ASP 0.413 0.048 14 0 "[ . 1 . 2]"
1 56 SER 3.358 0.437 14 0 "[ . 1 . 2]"
1 57 LEU 11.337 0.605 17 7 "[ * ** *1 -* + 2]"
1 58 LYS 9.474 0.605 17 7 "[ * ** *1 -* + 2]"
1 59 GLY 0.051 0.018 8 0 "[ . 1 . 2]"
1 60 ARG 7.028 0.523 19 1 "[ . 1 . +2]"
1 61 CYS 8.706 0.523 19 1 "[ . 1 . +2]"
1 62 SER 0.210 0.032 8 0 "[ . 1 . 2]"
1 63 ARG 1.644 0.555 14 1 "[ . 1 +. 2]"
1 64 GLU 12.019 0.977 6 9 "[ - .+ **1 **** *]"
1 65 ASN 15.903 0.977 6 9 "[ * .+ **1 ** * - *]"
1 66 CYS 0.805 0.081 6 0 "[ . 1 . 2]"
1 67 LYS 2.455 0.294 7 0 "[ . 1 . 2]"
1 68 TYR 2.884 0.312 1 0 "[ . 1 . 2]"
1 69 LEU 4.687 0.305 9 0 "[ . 1 . 2]"
1 70 HIS 6.659 0.352 6 0 "[ . 1 . 2]"
1 71 PRO 8.619 0.469 19 0 "[ . 1 . 2]"
1 72 PRO 23.976 0.652 13 10 "[* .*** 1* +*. *-*]"
1 73 PRO 13.139 0.436 11 0 "[ . 1 . 2]"
1 74 HIS 0.946 0.089 2 0 "[ . 1 . 2]"
1 75 LEU 19.512 0.687 10 11 "[ * .*** +* **. **-2]"
1 76 LYS 12.505 0.938 19 4 "[- . 1 *.* +2]"
1 77 THR 1.921 0.089 2 0 "[ . 1 . 2]"
1 78 GLN 0.897 0.074 17 0 "[ . 1 . 2]"
1 79 LEU 0.355 0.035 5 0 "[ . 1 . 2]"
1 80 GLU 5.381 0.938 19 4 "[- . 1 *.* +2]"
1 81 ILE 1.514 0.200 19 0 "[ . 1 . 2]"
1 82 ASN 0.436 0.088 2 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ARG 5.976 0.877 6 4 "[ .+ -1* . * 2]"
1 85 ASN 0.225 0.069 17 0 "[ . 1 . 2]"
1 86 ASN 0.646 0.057 2 0 "[ . 1 . 2]"
1 87 LEU 5.230 0.877 6 4 "[ .+ -1* . * 2]"
1 88 ILE 1.834 0.251 6 0 "[ . 1 . 2]"
1 89 GLN 0.337 0.087 19 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 5 VAL QG 1 6 THR H . . 4.970 2.938 2.109 3.741 . 0 0 "[ . 1 . 2]" 1
2 1 6 THR HA 1 6 THR MG . . 3.340 2.309 2.252 2.424 . 0 0 "[ . 1 . 2]" 1
3 1 6 THR HA 1 7 PRO HD2 . . 2.990 2.547 2.146 3.216 0.226 16 0 "[ . 1 . 2]" 1
4 1 6 THR HA 1 7 PRO QD . . 2.610 2.137 2.032 2.260 . 0 0 "[ . 1 . 2]" 1
5 1 6 THR HA 1 7 PRO HD3 . . 2.990 2.355 2.085 2.534 . 0 0 "[ . 1 . 2]" 1
6 1 6 THR HA 1 7 PRO QG . . 4.650 4.068 3.929 4.152 . 0 0 "[ . 1 . 2]" 1
7 1 6 THR HB 1 7 PRO QD . . 3.510 2.424 2.056 3.524 0.014 19 0 "[ . 1 . 2]" 1
8 1 6 THR MG 1 7 PRO HD2 . . 4.150 3.227 2.802 3.671 . 0 0 "[ . 1 . 2]" 1
9 1 6 THR MG 1 7 PRO QD . . 3.480 3.048 2.695 3.484 0.004 1 0 "[ . 1 . 2]" 1
10 1 6 THR MG 1 7 PRO HD3 . . 4.150 3.825 3.320 4.349 0.199 19 0 "[ . 1 . 2]" 1
11 1 7 PRO HA 1 8 ILE H . . 5.070 2.687 2.172 3.575 . 0 0 "[ . 1 . 2]" 1
12 1 7 PRO HA 1 8 ILE MG . . 4.790 4.141 3.522 4.844 0.054 19 0 "[ . 1 . 2]" 1
13 1 7 PRO QB 1 8 ILE H . . 3.940 3.040 2.264 4.011 0.071 7 0 "[ . 1 . 2]" 1
14 1 7 PRO HB2 1 8 ILE H . . 4.570 3.278 2.293 4.380 . 0 0 "[ . 1 . 2]" 1
15 1 7 PRO HB3 1 8 ILE H . . 4.570 3.830 3.171 4.653 0.083 7 0 "[ . 1 . 2]" 1
16 1 8 ILE H 1 8 ILE QG . . 4.890 2.978 2.010 4.434 . 0 0 "[ . 1 . 2]" 1
17 1 8 ILE H 1 8 ILE MG . . 4.440 2.402 1.891 3.137 . 0 0 "[ . 1 . 2]" 1
18 1 8 ILE HA 1 8 ILE MD . . 4.240 3.625 2.117 4.244 0.004 12 0 "[ . 1 . 2]" 1
19 1 8 ILE HA 1 8 ILE HG12 . . 4.250 3.703 3.101 3.843 . 0 0 "[ . 1 . 2]" 1
20 1 8 ILE HA 1 8 ILE QG . . 3.660 3.108 2.256 3.371 . 0 0 "[ . 1 . 2]" 1
21 1 8 ILE HA 1 8 ILE HG13 . . 4.250 3.382 2.318 3.793 . 0 0 "[ . 1 . 2]" 1
22 1 8 ILE HA 1 8 ILE MG . . 3.380 2.673 2.219 3.275 . 0 0 "[ . 1 . 2]" 1
23 1 8 ILE HB 1 8 ILE MD . . 3.640 2.401 2.334 2.485 . 0 0 "[ . 1 . 2]" 1
24 1 8 ILE HB 1 9 ARG H . . 5.130 3.995 2.144 4.583 . 0 0 "[ . 1 . 2]" 1
25 1 8 ILE HG12 1 8 ILE MG . . 3.540 2.397 2.263 2.505 . 0 0 "[ . 1 . 2]" 1
26 1 8 ILE HG13 1 8 ILE MG . . 3.540 3.057 2.403 3.277 . 0 0 "[ . 1 . 2]" 1
27 1 9 ARG H 1 9 ARG HG2 . . 5.390 3.664 2.056 5.085 . 0 0 "[ . 1 . 2]" 1
28 1 9 ARG H 1 9 ARG QG . . 4.640 3.202 2.034 4.260 . 0 0 "[ . 1 . 2]" 1
29 1 9 ARG H 1 9 ARG HG3 . . 5.390 3.874 2.055 4.767 . 0 0 "[ . 1 . 2]" 1
30 1 9 ARG HA 1 9 ARG QD . . 4.070 3.546 2.111 4.191 0.121 13 0 "[ . 1 . 2]" 1
31 1 9 ARG HA 1 9 ARG HG2 . . 3.860 3.349 2.623 3.830 . 0 0 "[ . 1 . 2]" 1
32 1 9 ARG HA 1 9 ARG HG3 . . 3.860 3.133 2.295 3.837 . 0 0 "[ . 1 . 2]" 1
33 1 9 ARG QB 1 9 ARG QD . . 3.380 2.240 2.056 2.917 . 0 0 "[ . 1 . 2]" 1
34 1 9 ARG HB2 1 9 ARG QD . . 3.860 2.556 2.224 3.599 . 0 0 "[ . 1 . 2]" 1
35 1 9 ARG HB3 1 9 ARG QD . . 3.860 2.651 2.260 3.377 . 0 0 "[ . 1 . 2]" 1
36 1 10 ASP HA 1 11 THR HA . . 5.750 4.699 4.508 4.968 . 0 0 "[ . 1 . 2]" 1
37 1 10 ASP HA 1 11 THR MG . . 5.750 4.505 3.525 5.201 . 0 0 "[ . 1 . 2]" 1
38 1 11 THR H 1 11 THR MG . . 4.800 2.817 2.230 3.272 . 0 0 "[ . 1 . 2]" 1
39 1 11 THR HA 1 11 THR HB . . 2.930 2.520 2.441 2.582 . 0 0 "[ . 1 . 2]" 1
40 1 11 THR HA 1 11 THR MG . . 2.980 2.342 2.319 2.444 . 0 0 "[ . 1 . 2]" 1
41 1 11 THR HA 1 13 TRP H . . 4.800 3.822 3.633 3.964 . 0 0 "[ . 1 . 2]" 1
42 1 11 THR HA 1 13 TRP HZ3 . . 5.080 4.837 3.972 5.106 0.026 3 0 "[ . 1 . 2]" 1
43 1 11 THR HA 1 14 LEU HB2 . . 4.430 2.784 2.373 3.448 . 0 0 "[ . 1 . 2]" 1
44 1 11 THR HA 1 14 LEU QD . . 3.650 2.326 2.142 2.936 . 0 0 "[ . 1 . 2]" 1
45 1 11 THR HA 1 14 LEU HG . . 4.020 3.328 2.593 4.009 . 0 0 "[ . 1 . 2]" 1
46 1 11 THR HA 1 51 ILE MG . . 4.880 3.871 3.567 4.469 . 0 0 "[ . 1 . 2]" 1
47 1 11 THR HB 1 14 LEU HB2 . . 4.140 2.843 2.200 3.060 . 0 0 "[ . 1 . 2]" 1
48 1 11 THR HB 1 14 LEU HB3 . . 4.270 4.219 3.654 4.319 0.049 4 0 "[ . 1 . 2]" 1
49 1 11 THR HB 1 14 LEU QD . . 4.090 3.409 2.809 3.646 . 0 0 "[ . 1 . 2]" 1
50 1 11 THR HB 1 51 ILE MD . . 3.950 2.747 2.414 3.418 . 0 0 "[ . 1 . 2]" 1
51 1 11 THR HB 1 51 ILE MG . . 3.860 2.293 2.144 2.491 . 0 0 "[ . 1 . 2]" 1
52 1 11 THR MG 1 14 LEU QD . . 3.800 2.353 2.154 2.887 . 0 0 "[ . 1 . 2]" 1
53 1 11 THR MG 1 51 ILE MD . . 3.990 2.888 2.363 3.990 . 0 0 "[ . 1 . 2]" 1
54 1 11 THR MG 1 51 ILE MG . . 3.460 2.354 2.096 3.026 . 0 0 "[ . 1 . 2]" 1
55 1 11 THR MG 1 52 ALA H . . 5.310 5.328 5.260 5.362 0.052 14 0 "[ . 1 . 2]" 1
56 1 11 THR MG 1 54 PHE QE . . 4.930 3.488 2.942 4.118 . 0 0 "[ . 1 . 2]" 1
57 1 11 THR MG 1 68 TYR QE . . 5.250 4.043 3.310 4.844 . 0 0 "[ . 1 . 2]" 1
58 1 12 LYS H 1 12 LYS QG . . 4.650 3.632 2.096 4.062 . 0 0 "[ . 1 . 2]" 1
59 1 12 LYS H 1 13 TRP H . . 4.950 2.980 2.639 3.221 . 0 0 "[ . 1 . 2]" 1
60 1 12 LYS HA 1 12 LYS QE . . 5.440 4.510 3.364 5.542 0.102 9 0 "[ . 1 . 2]" 1
61 1 12 LYS HA 1 12 LYS HG2 . . 3.960 3.264 2.456 3.866 . 0 0 "[ . 1 . 2]" 1
62 1 12 LYS HA 1 12 LYS QG . . 3.430 2.692 2.333 3.388 . 0 0 "[ . 1 . 2]" 1
63 1 12 LYS HA 1 12 LYS HG3 . . 3.960 2.925 2.448 3.804 . 0 0 "[ . 1 . 2]" 1
64 1 12 LYS QB 1 13 TRP HA . . 5.340 4.402 4.142 4.635 . 0 0 "[ . 1 . 2]" 1
65 1 12 LYS HB2 1 12 LYS QE . . 5.040 3.442 2.181 4.274 . 0 0 "[ . 1 . 2]" 1
66 1 12 LYS HB2 1 13 TRP H . . 4.340 3.959 3.737 4.152 . 0 0 "[ . 1 . 2]" 1
67 1 12 LYS HB3 1 12 LYS QE . . 5.040 3.210 2.037 4.542 . 0 0 "[ . 1 . 2]" 1
68 1 12 LYS HB3 1 13 TRP H . . 4.340 2.988 2.471 4.306 . 0 0 "[ . 1 . 2]" 1
69 1 12 LYS QG 1 13 TRP H . . 4.850 3.534 2.463 4.211 . 0 0 "[ . 1 . 2]" 1
70 1 12 LYS QG 1 13 TRP HA . . 4.790 3.899 3.508 4.549 . 0 0 "[ . 1 . 2]" 1
71 1 12 LYS HG2 1 13 TRP HA . . 5.460 4.412 3.581 5.591 0.131 16 0 "[ . 1 . 2]" 1
72 1 12 LYS HG3 1 13 TRP HA . . 5.460 4.992 3.627 6.064 0.604 13 1 "[ . 1 + . 2]" 1
73 1 13 TRP H 1 13 TRP HB2 . . 3.860 3.504 3.378 3.733 . 0 0 "[ . 1 . 2]" 1
74 1 13 TRP H 1 13 TRP HB3 . . 3.710 2.261 2.112 2.695 . 0 0 "[ . 1 . 2]" 1
75 1 13 TRP H 1 13 TRP HD1 . . 5.090 5.039 4.860 5.112 0.022 9 0 "[ . 1 . 2]" 1
76 1 13 TRP H 1 14 LEU H . . 3.970 2.525 2.292 2.655 . 0 0 "[ . 1 . 2]" 1
77 1 13 TRP H 1 14 LEU HB2 . . 5.750 4.553 4.084 4.750 . 0 0 "[ . 1 . 2]" 1
78 1 13 TRP H 1 15 THR H . . 5.750 4.240 4.074 4.490 . 0 0 "[ . 1 . 2]" 1
79 1 13 TRP HA 1 13 TRP HD1 . . 4.390 3.803 3.557 4.135 . 0 0 "[ . 1 . 2]" 1
80 1 13 TRP HA 1 14 LEU QD . . 5.750 5.058 4.780 5.132 . 0 0 "[ . 1 . 2]" 1
81 1 13 TRP HA 1 14 LEU HG . . 5.110 5.104 4.892 5.150 0.040 5 0 "[ . 1 . 2]" 1
82 1 13 TRP HA 1 82 ASN HB2 . . 3.950 3.896 3.470 4.038 0.088 2 0 "[ . 1 . 2]" 1
83 1 13 TRP HA 1 82 ASN QB . . 3.360 2.668 2.246 2.952 . 0 0 "[ . 1 . 2]" 1
84 1 13 TRP HA 1 82 ASN HB3 . . 3.950 2.719 2.275 3.042 . 0 0 "[ . 1 . 2]" 1
85 1 13 TRP HA 1 83 GLY QA . . 5.480 4.875 4.790 4.922 . 0 0 "[ . 1 . 2]" 1
86 1 13 TRP HB2 1 14 LEU HA . . 5.410 5.368 5.164 5.462 0.052 9 0 "[ . 1 . 2]" 1
87 1 13 TRP HB2 1 14 LEU QD . . 5.750 4.851 4.529 4.983 . 0 0 "[ . 1 . 2]" 1
88 1 13 TRP HB2 1 14 LEU HG . . 5.290 4.977 4.874 5.179 . 0 0 "[ . 1 . 2]" 1
89 1 13 TRP HB2 1 82 ASN QB . . 4.780 2.269 2.130 2.460 . 0 0 "[ . 1 . 2]" 1
90 1 13 TRP HB3 1 13 TRP HZ3 . . 5.070 5.056 5.011 5.117 0.047 19 0 "[ . 1 . 2]" 1
91 1 13 TRP HB3 1 14 LEU H . . 4.730 3.878 3.596 4.313 . 0 0 "[ . 1 . 2]" 1
92 1 13 TRP HB3 1 14 LEU QD . . 5.410 4.753 4.643 4.830 . 0 0 "[ . 1 . 2]" 1
93 1 13 TRP HB3 1 14 LEU HG . . 4.930 4.481 4.278 4.770 . 0 0 "[ . 1 . 2]" 1
94 1 13 TRP HD1 1 14 LEU H . . 4.890 4.537 4.343 4.870 . 0 0 "[ . 1 . 2]" 1
95 1 13 TRP HD1 1 14 LEU HA . . 5.350 3.942 3.736 4.170 . 0 0 "[ . 1 . 2]" 1
96 1 13 TRP HD1 1 14 LEU QD . . 4.840 3.346 3.089 3.564 . 0 0 "[ . 1 . 2]" 1
97 1 13 TRP HD1 1 14 LEU HG . . 5.750 4.180 4.013 4.595 . 0 0 "[ . 1 . 2]" 1
98 1 13 TRP HD1 1 79 LEU HA . . 5.750 2.970 2.687 3.253 . 0 0 "[ . 1 . 2]" 1
99 1 13 TRP HD1 1 79 LEU HB2 . . 5.750 4.991 4.691 5.404 . 0 0 "[ . 1 . 2]" 1
100 1 13 TRP HD1 1 79 LEU HB3 . . 5.750 3.525 3.208 3.980 . 0 0 "[ . 1 . 2]" 1
101 1 13 TRP HD1 1 79 LEU QD . . 4.880 3.194 2.925 3.462 . 0 0 "[ . 1 . 2]" 1
102 1 13 TRP HD1 1 80 GLU HA . . 5.750 4.775 4.421 5.495 . 0 0 "[ . 1 . 2]" 1
103 1 13 TRP HD1 1 82 ASN HB2 . . 5.150 2.694 2.187 4.128 . 0 0 "[ . 1 . 2]" 1
104 1 13 TRP HD1 1 82 ASN HB3 . . 5.150 3.120 2.445 4.038 . 0 0 "[ . 1 . 2]" 1
105 1 13 TRP HD1 1 83 GLY QA . . 5.000 3.252 3.102 3.389 . 0 0 "[ . 1 . 2]" 1
106 1 13 TRP HZ3 1 14 LEU QD . . 4.530 3.875 3.527 4.053 . 0 0 "[ . 1 . 2]" 1
107 1 13 TRP HZ3 1 14 LEU HG . . 4.760 4.623 4.345 4.778 0.018 17 0 "[ . 1 . 2]" 1
108 1 13 TRP HZ3 1 58 LYS QD . . 5.750 5.773 5.747 5.792 0.042 1 0 "[ . 1 . 2]" 1
109 1 13 TRP HZ3 1 83 GLY QA . . 5.750 5.098 4.927 5.138 . 0 0 "[ . 1 . 2]" 1
110 1 13 TRP HZ3 1 86 ASN QB . . 5.320 5.143 4.115 5.361 0.041 11 0 "[ . 1 . 2]" 1
111 1 14 LEU H 1 14 LEU HB2 . . 3.920 2.357 2.304 2.409 . 0 0 "[ . 1 . 2]" 1
112 1 14 LEU H 1 14 LEU QD . . 3.790 3.251 3.165 3.342 . 0 0 "[ . 1 . 2]" 1
113 1 14 LEU H 1 14 LEU HG . . 4.140 2.543 2.411 2.677 . 0 0 "[ . 1 . 2]" 1
114 1 14 LEU H 1 15 THR H . . 4.070 2.454 2.334 2.535 . 0 0 "[ . 1 . 2]" 1
115 1 14 LEU H 1 79 LEU QD . . 5.750 4.423 4.250 4.540 . 0 0 "[ . 1 . 2]" 1
116 1 14 LEU HA 1 14 LEU QD . . 3.160 2.164 2.127 2.204 . 0 0 "[ . 1 . 2]" 1
117 1 14 LEU HA 1 15 THR H . . 4.360 3.454 3.405 3.504 . 0 0 "[ . 1 . 2]" 1
118 1 14 LEU HA 1 16 LEU H . . 5.070 4.360 4.252 4.548 . 0 0 "[ . 1 . 2]" 1
119 1 14 LEU HA 1 16 LEU HB2 . . 5.290 4.465 4.184 4.870 . 0 0 "[ . 1 . 2]" 1
120 1 14 LEU HA 1 52 ALA H . . 4.440 3.641 3.498 3.864 . 0 0 "[ . 1 . 2]" 1
121 1 14 LEU HA 1 52 ALA MB . . 3.950 2.845 2.673 3.193 . 0 0 "[ . 1 . 2]" 1
122 1 14 LEU HA 1 79 LEU QB . . 5.340 4.294 4.023 4.535 . 0 0 "[ . 1 . 2]" 1
123 1 14 LEU HA 1 79 LEU QD . . 3.390 2.213 2.069 2.303 . 0 0 "[ . 1 . 2]" 1
124 1 14 LEU HA 1 79 LEU HG . . 5.400 5.185 4.952 5.321 . 0 0 "[ . 1 . 2]" 1
125 1 14 LEU HB2 1 15 THR H . . 4.430 3.254 3.027 3.431 . 0 0 "[ . 1 . 2]" 1
126 1 14 LEU HB2 1 15 THR HA . . 5.750 4.489 4.396 4.600 . 0 0 "[ . 1 . 2]" 1
127 1 14 LEU HB2 1 51 ILE HA . . 4.880 4.175 3.990 4.432 . 0 0 "[ . 1 . 2]" 1
128 1 14 LEU HB2 1 51 ILE MG . . 3.630 2.573 2.435 2.712 . 0 0 "[ . 1 . 2]" 1
129 1 14 LEU HB2 1 52 ALA H . . 4.140 3.552 3.081 3.751 . 0 0 "[ . 1 . 2]" 1
130 1 14 LEU HB2 1 52 ALA MB . . 4.040 3.863 3.714 3.968 . 0 0 "[ . 1 . 2]" 1
131 1 14 LEU HB3 1 15 THR H . . 4.390 4.080 3.938 4.188 . 0 0 "[ . 1 . 2]" 1
132 1 14 LEU HB3 1 15 THR HA . . 4.540 4.550 4.492 4.594 0.054 14 0 "[ . 1 . 2]" 1
133 1 14 LEU HB3 1 51 ILE HA . . 4.210 3.743 3.598 3.881 . 0 0 "[ . 1 . 2]" 1
134 1 14 LEU HB3 1 51 ILE MG . . 4.200 2.741 2.581 2.998 . 0 0 "[ . 1 . 2]" 1
135 1 14 LEU HB3 1 52 ALA H . . 3.750 2.292 2.005 2.449 . 0 0 "[ . 1 . 2]" 1
136 1 14 LEU HB3 1 52 ALA HA . . 4.690 4.420 4.317 4.528 . 0 0 "[ . 1 . 2]" 1
137 1 14 LEU HB3 1 52 ALA MB . . 3.610 2.303 2.143 2.429 . 0 0 "[ . 1 . 2]" 1
138 1 14 LEU HB3 1 54 PHE QD . . 5.750 4.807 4.665 5.081 . 0 0 "[ . 1 . 2]" 1
139 1 14 LEU QD 1 51 ILE HA . . 5.750 4.712 4.597 4.833 . 0 0 "[ . 1 . 2]" 1
140 1 14 LEU QD 1 51 ILE MG . . 3.810 3.015 2.859 3.193 . 0 0 "[ . 1 . 2]" 1
141 1 14 LEU QD 1 52 ALA H . . 4.340 3.517 3.337 3.618 . 0 0 "[ . 1 . 2]" 1
142 1 14 LEU QD 1 52 ALA HA . . 5.330 4.308 4.224 4.423 . 0 0 "[ . 1 . 2]" 1
143 1 14 LEU QD 1 52 ALA MB . . 3.300 2.120 2.084 2.161 . 0 0 "[ . 1 . 2]" 1
144 1 14 LEU QD 1 53 CYS HA . . 5.750 4.259 4.070 4.486 . 0 0 "[ . 1 . 2]" 1
145 1 14 LEU QD 1 54 PHE H . . 4.350 3.064 2.930 3.229 . 0 0 "[ . 1 . 2]" 1
146 1 14 LEU QD 1 54 PHE HA . . 4.070 2.770 2.603 2.879 . 0 0 "[ . 1 . 2]" 1
147 1 14 LEU QD 1 54 PHE HB2 . . 4.090 3.193 3.103 3.243 . 0 0 "[ . 1 . 2]" 1
148 1 14 LEU QD 1 54 PHE HB3 . . 3.910 2.041 1.993 2.068 . 0 0 "[ . 1 . 2]" 1
149 1 14 LEU QD 1 54 PHE QD . . 4.280 2.757 2.738 2.795 . 0 0 "[ . 1 . 2]" 1
150 1 14 LEU QD 1 54 PHE QE . . 5.100 4.556 4.545 4.570 . 0 0 "[ . 1 . 2]" 1
151 1 14 LEU QD 1 57 LEU HB2 . . 5.440 3.796 3.689 3.956 . 0 0 "[ . 1 . 2]" 1
152 1 14 LEU QD 1 57 LEU HB3 . . 5.750 4.341 4.154 4.578 . 0 0 "[ . 1 . 2]" 1
153 1 14 LEU QD 1 57 LEU HG . . 5.750 4.085 3.806 4.288 . 0 0 "[ . 1 . 2]" 1
154 1 14 LEU QD 1 79 LEU HA . . 5.070 4.388 4.037 4.527 . 0 0 "[ . 1 . 2]" 1
155 1 14 LEU QD 1 79 LEU HB2 . . 5.250 4.543 4.119 4.704 . 0 0 "[ . 1 . 2]" 1
156 1 14 LEU QD 1 79 LEU QB . . 4.560 3.117 2.733 3.259 . 0 0 "[ . 1 . 2]" 1
157 1 14 LEU QD 1 79 LEU HB3 . . 5.250 3.175 2.774 3.326 . 0 0 "[ . 1 . 2]" 1
158 1 14 LEU QD 1 79 LEU QD . . 3.910 2.285 2.081 2.503 . 0 0 "[ . 1 . 2]" 1
159 1 14 LEU QD 1 79 LEU HG . . 5.750 4.839 4.433 4.999 . 0 0 "[ . 1 . 2]" 1
160 1 14 LEU HG 1 15 THR H . . 5.080 4.678 4.556 4.823 . 0 0 "[ . 1 . 2]" 1
161 1 14 LEU HG 1 52 ALA MB . . 4.330 4.300 4.225 4.344 0.014 2 0 "[ . 1 . 2]" 1
162 1 14 LEU HG 1 54 PHE QD . . 5.750 5.657 5.417 5.753 0.003 2 0 "[ . 1 . 2]" 1
163 1 15 THR H 1 15 THR MG . . 4.060 3.819 3.779 3.851 . 0 0 "[ . 1 . 2]" 1
164 1 15 THR H 1 16 LEU H . . 4.810 3.930 3.884 4.008 . 0 0 "[ . 1 . 2]" 1
165 1 15 THR H 1 51 ILE MD . . 5.130 5.102 4.960 5.156 0.026 1 0 "[ . 1 . 2]" 1
166 1 15 THR H 1 51 ILE MG . . 4.710 4.038 3.809 4.218 . 0 0 "[ . 1 . 2]" 1
167 1 15 THR H 1 79 LEU QD . . 5.750 4.574 4.398 4.739 . 0 0 "[ . 1 . 2]" 1
168 1 15 THR HA 1 15 THR MG . . 3.140 2.280 2.254 2.320 . 0 0 "[ . 1 . 2]" 1
169 1 15 THR HA 1 16 LEU H . . 4.050 2.250 2.193 2.322 . 0 0 "[ . 1 . 2]" 1
170 1 15 THR HA 1 49 ARG QB . . 5.430 3.932 3.859 4.160 . 0 0 "[ . 1 . 2]" 1
171 1 15 THR HA 1 51 ILE HA . . 3.140 2.154 2.126 2.176 . 0 0 "[ . 1 . 2]" 1
172 1 15 THR HA 1 51 ILE HB . . 5.160 4.828 4.717 4.889 . 0 0 "[ . 1 . 2]" 1
173 1 15 THR HA 1 51 ILE MD . . 5.390 4.267 4.126 4.343 . 0 0 "[ . 1 . 2]" 1
174 1 15 THR HA 1 51 ILE HG12 . . 4.230 2.669 2.513 2.730 . 0 0 "[ . 1 . 2]" 1
175 1 15 THR HA 1 51 ILE MG . . 4.840 3.535 3.207 3.769 . 0 0 "[ . 1 . 2]" 1
176 1 15 THR HA 1 52 ALA H . . 3.980 3.547 3.428 3.802 . 0 0 "[ . 1 . 2]" 1
177 1 15 THR HA 1 52 ALA MB . . 4.860 4.792 4.682 4.876 0.016 6 0 "[ . 1 . 2]" 1
178 1 15 THR HB 1 16 LEU H . . 5.700 4.441 4.415 4.484 . 0 0 "[ . 1 . 2]" 1
179 1 15 THR HB 1 16 LEU HA . . 5.630 5.232 5.151 5.326 . 0 0 "[ . 1 . 2]" 1
180 1 15 THR HB 1 49 ARG QB . . 4.850 4.084 4.044 4.145 . 0 0 "[ . 1 . 2]" 1
181 1 15 THR HB 1 49 ARG HD2 . . 4.120 4.157 3.793 4.437 0.317 20 0 "[ . 1 . 2]" 1
182 1 15 THR HB 1 49 ARG HD3 . . 4.750 3.912 3.414 5.167 0.417 9 0 "[ . 1 . 2]" 1
183 1 15 THR HB 1 50 VAL H . . 5.750 5.767 5.725 5.798 0.048 16 0 "[ . 1 . 2]" 1
184 1 15 THR HB 1 51 ILE HA . . 4.950 5.010 4.986 5.066 0.116 8 0 "[ . 1 . 2]" 1
185 1 15 THR HB 1 51 ILE MD . . 5.080 4.979 4.790 5.086 0.006 17 0 "[ . 1 . 2]" 1
186 1 15 THR HB 1 51 ILE HG12 . . 5.750 4.241 4.180 4.272 . 0 0 "[ . 1 . 2]" 1
187 1 15 THR MG 1 49 ARG H . . 5.220 4.773 4.710 4.945 . 0 0 "[ . 1 . 2]" 1
188 1 15 THR MG 1 49 ARG HA . . 4.600 4.246 4.180 4.299 . 0 0 "[ . 1 . 2]" 1
189 1 15 THR MG 1 49 ARG QB . . 3.470 2.039 2.000 2.090 . 0 0 "[ . 1 . 2]" 1
190 1 15 THR MG 1 49 ARG HD2 . . 3.560 2.760 2.478 3.056 . 0 0 "[ . 1 . 2]" 1
191 1 15 THR MG 1 49 ARG HD3 . . 4.190 2.762 2.269 3.991 . 0 0 "[ . 1 . 2]" 1
192 1 15 THR MG 1 49 ARG HG3 . . 4.590 4.007 3.862 4.176 . 0 0 "[ . 1 . 2]" 1
193 1 15 THR MG 1 50 VAL H . . 4.030 3.438 3.364 3.514 . 0 0 "[ . 1 . 2]" 1
194 1 15 THR MG 1 50 VAL HA . . 4.670 4.035 3.916 4.146 . 0 0 "[ . 1 . 2]" 1
195 1 15 THR MG 1 51 ILE H . . 4.730 4.142 3.972 4.605 . 0 0 "[ . 1 . 2]" 1
196 1 15 THR MG 1 51 ILE HA . . 3.500 3.411 3.358 3.483 . 0 0 "[ . 1 . 2]" 1
197 1 15 THR MG 1 51 ILE MD . . 3.150 3.167 3.151 3.180 0.030 10 0 "[ . 1 . 2]" 1
198 1 16 LEU H 1 16 LEU HB2 . . 3.780 2.137 1.942 2.284 . 0 0 "[ . 1 . 2]" 1
199 1 16 LEU H 1 16 LEU HB3 . . 3.830 2.696 2.411 3.170 . 0 0 "[ . 1 . 2]" 1
200 1 16 LEU H 1 16 LEU QD . . 4.440 3.590 3.536 3.648 . 0 0 "[ . 1 . 2]" 1
201 1 16 LEU H 1 51 ILE HA . . 4.000 3.154 2.857 3.285 . 0 0 "[ . 1 . 2]" 1
202 1 16 LEU H 1 79 LEU QD . . 4.850 3.880 3.696 4.159 . 0 0 "[ . 1 . 2]" 1
203 1 16 LEU HA 1 16 LEU MD1 . . 3.750 2.780 2.060 3.804 0.054 9 0 "[ . 1 . 2]" 1
204 1 16 LEU HA 1 16 LEU QD . . 2.830 2.213 2.050 2.455 . 0 0 "[ . 1 . 2]" 1
205 1 16 LEU HA 1 16 LEU MD2 . . 3.750 3.217 2.310 3.809 0.059 17 0 "[ . 1 . 2]" 1
206 1 16 LEU HA 1 16 LEU HG . . 3.640 2.942 2.419 3.318 . 0 0 "[ . 1 . 2]" 1
207 1 16 LEU HA 1 17 GLU HA . . 4.850 4.454 4.421 4.488 . 0 0 "[ . 1 . 2]" 1
208 1 16 LEU HA 1 17 GLU QB . . 4.790 4.655 4.529 4.758 . 0 0 "[ . 1 . 2]" 1
209 1 16 LEU HA 1 17 GLU HG2 . . 5.490 4.753 4.294 5.877 0.387 17 0 "[ . 1 . 2]" 1
210 1 16 LEU HA 1 17 GLU HG3 . . 5.490 4.202 3.877 4.890 . 0 0 "[ . 1 . 2]" 1
211 1 16 LEU HA 1 37 ALA MB . . 5.460 4.805 4.747 4.933 . 0 0 "[ . 1 . 2]" 1
212 1 16 LEU HA 1 49 ARG QB . . 5.750 4.533 4.462 4.595 . 0 0 "[ . 1 . 2]" 1
213 1 16 LEU HA 1 75 LEU MD1 . . 5.750 5.619 5.420 5.817 0.067 13 0 "[ . 1 . 2]" 1
214 1 16 LEU HA 1 75 LEU MD2 . . 5.750 5.927 5.749 6.109 0.359 19 0 "[ . 1 . 2]" 1
215 1 16 LEU HB2 1 17 GLU H . . 4.670 4.373 4.271 4.508 . 0 0 "[ . 1 . 2]" 1
216 1 16 LEU HB2 1 37 ALA MB . . 3.860 3.808 3.365 3.936 0.076 3 0 "[ . 1 . 2]" 1
217 1 16 LEU HB2 1 79 LEU QD . . 4.150 2.739 2.341 3.453 . 0 0 "[ . 1 . 2]" 1
218 1 16 LEU HB3 1 16 LEU MD1 . . 3.600 2.934 2.401 3.280 . 0 0 "[ . 1 . 2]" 1
219 1 16 LEU HB3 1 16 LEU QD . . 3.140 2.272 2.121 2.412 . 0 0 "[ . 1 . 2]" 1
220 1 16 LEU HB3 1 16 LEU MD2 . . 3.600 2.404 2.336 2.484 . 0 0 "[ . 1 . 2]" 1
221 1 16 LEU HB3 1 17 GLU H . . 4.640 3.809 3.398 4.067 . 0 0 "[ . 1 . 2]" 1
222 1 16 LEU HB3 1 18 VAL HA . . 5.750 5.556 5.103 5.767 0.017 10 0 "[ . 1 . 2]" 1
223 1 16 LEU HB3 1 37 ALA H . . 5.470 4.294 3.547 4.689 . 0 0 "[ . 1 . 2]" 1
224 1 16 LEU HB3 1 37 ALA MB . . 3.810 2.611 2.344 2.805 . 0 0 "[ . 1 . 2]" 1
225 1 16 LEU QD 1 17 GLU H . . 3.840 2.177 1.965 2.356 . 0 0 "[ . 1 . 2]" 1
226 1 16 LEU QD 1 17 GLU HA . . 4.910 4.502 4.168 4.729 . 0 0 "[ . 1 . 2]" 1
227 1 16 LEU QD 1 17 GLU QB . . 3.760 3.663 3.192 3.781 0.021 4 0 "[ . 1 . 2]" 1
228 1 16 LEU QD 1 36 PHE HA . . 4.660 3.178 2.693 3.636 . 0 0 "[ . 1 . 2]" 1
229 1 16 LEU QD 1 37 ALA H . . 4.700 3.227 2.601 3.709 . 0 0 "[ . 1 . 2]" 1
230 1 16 LEU QD 1 37 ALA HA . . 3.740 3.634 3.506 3.746 0.006 1 0 "[ . 1 . 2]" 1
231 1 16 LEU QD 1 52 ALA MB . . 4.000 3.060 2.579 3.574 . 0 0 "[ . 1 . 2]" 1
232 1 16 LEU QD 1 72 PRO HD2 . . 3.970 3.522 3.271 3.686 . 0 0 "[ . 1 . 2]" 1
233 1 16 LEU QD 1 72 PRO HD3 . . 3.930 4.262 3.865 4.573 0.643 13 5 "[- .* 1* + . *]" 1
234 1 16 LEU QD 1 75 LEU HA . . 4.190 3.956 3.597 4.125 . 0 0 "[ . 1 . 2]" 1
235 1 16 LEU QD 1 75 LEU HB2 . . 3.970 3.056 2.862 3.194 . 0 0 "[ . 1 . 2]" 1
236 1 16 LEU QD 1 75 LEU HB3 . . 3.290 2.193 2.029 2.375 . 0 0 "[ . 1 . 2]" 1
237 1 16 LEU QD 1 75 LEU MD2 . . 3.200 2.365 2.090 2.615 . 0 0 "[ . 1 . 2]" 1
238 1 16 LEU QD 1 75 LEU HG . . 5.270 3.893 3.764 4.017 . 0 0 "[ . 1 . 2]" 1
239 1 16 LEU QD 1 76 LYS H . . 5.440 5.272 5.146 5.401 . 0 0 "[ . 1 . 2]" 1
240 1 16 LEU QD 1 78 GLN H . . 5.440 5.095 4.701 5.422 . 0 0 "[ . 1 . 2]" 1
241 1 16 LEU QD 1 78 GLN QB . . 4.120 3.252 2.710 3.664 . 0 0 "[ . 1 . 2]" 1
242 1 16 LEU QD 1 79 LEU H . . 4.810 4.227 3.862 4.504 . 0 0 "[ . 1 . 2]" 1
243 1 16 LEU QD 1 79 LEU HG . . 4.390 2.771 2.491 2.954 . 0 0 "[ . 1 . 2]" 1
244 1 16 LEU MD1 1 75 LEU HA . . 5.750 4.492 4.196 4.815 . 0 0 "[ . 1 . 2]" 1
245 1 16 LEU MD1 1 75 LEU HB2 . . 5.000 4.027 2.999 4.996 . 0 0 "[ . 1 . 2]" 1
246 1 16 LEU MD1 1 75 LEU HB3 . . 4.170 2.844 2.102 3.612 . 0 0 "[ . 1 . 2]" 1
247 1 16 LEU MD1 1 75 LEU MD1 . . 3.550 2.644 2.040 3.489 . 0 0 "[ . 1 . 2]" 1
248 1 16 LEU MD1 1 75 LEU MD2 . . 3.670 2.806 2.448 3.217 . 0 0 "[ . 1 . 2]" 1
249 1 16 LEU MD1 1 78 GLN QB . . 4.770 3.525 2.825 4.105 . 0 0 "[ . 1 . 2]" 1
250 1 16 LEU MD2 1 75 LEU HA . . 5.750 4.484 3.812 5.016 . 0 0 "[ . 1 . 2]" 1
251 1 16 LEU MD2 1 75 LEU HB2 . . 5.000 3.667 2.914 4.679 . 0 0 "[ . 1 . 2]" 1
252 1 16 LEU MD2 1 75 LEU HB3 . . 4.170 2.700 2.041 3.561 . 0 0 "[ . 1 . 2]" 1
253 1 16 LEU MD2 1 75 LEU MD1 . . 3.550 2.111 1.955 2.356 . 0 0 "[ . 1 . 2]" 1
254 1 16 LEU MD2 1 75 LEU MD2 . . 3.670 2.683 2.208 3.347 . 0 0 "[ . 1 . 2]" 1
255 1 16 LEU MD2 1 78 GLN QB . . 4.770 3.937 3.352 4.545 . 0 0 "[ . 1 . 2]" 1
256 1 16 LEU HG 1 17 GLU H . . 4.830 3.440 2.923 4.151 . 0 0 "[ . 1 . 2]" 1
257 1 16 LEU HG 1 37 ALA H . . 5.750 4.094 2.867 5.775 0.025 9 0 "[ . 1 . 2]" 1
258 1 17 GLU H 1 17 GLU QB . . 3.110 2.531 2.398 2.643 . 0 0 "[ . 1 . 2]" 1
259 1 17 GLU H 1 17 GLU HG2 . . 4.200 3.166 2.837 3.853 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLU H 1 17 GLU QG . . 3.660 2.374 2.219 3.051 . 0 0 "[ . 1 . 2]" 1
261 1 17 GLU H 1 17 GLU HG3 . . 4.200 2.475 2.246 3.198 . 0 0 "[ . 1 . 2]" 1
262 1 17 GLU H 1 18 VAL H . . 4.800 4.697 4.680 4.711 . 0 0 "[ . 1 . 2]" 1
263 1 17 GLU H 1 37 ALA MB . . 4.870 4.534 4.437 4.624 . 0 0 "[ . 1 . 2]" 1
264 1 17 GLU HA 1 17 GLU HG2 . . 3.760 2.567 2.450 3.722 . 0 0 "[ . 1 . 2]" 1
265 1 17 GLU HA 1 17 GLU HG3 . . 3.760 3.342 2.608 3.561 . 0 0 "[ . 1 . 2]" 1
266 1 17 GLU HA 1 18 VAL H . . 3.050 2.284 2.260 2.311 . 0 0 "[ . 1 . 2]" 1
267 1 17 GLU HA 1 18 VAL HA . . 4.870 4.434 4.404 4.468 . 0 0 "[ . 1 . 2]" 1
268 1 17 GLU HA 1 49 ARG QB . . 3.520 3.087 2.965 3.206 . 0 0 "[ . 1 . 2]" 1
269 1 17 GLU HA 1 49 ARG HD2 . . 4.520 4.789 3.655 4.980 0.460 5 0 "[ . 1 . 2]" 1
270 1 17 GLU HA 1 49 ARG HD3 . . 4.260 3.802 3.634 4.065 . 0 0 "[ . 1 . 2]" 1
271 1 17 GLU HA 1 49 ARG HG2 . . 3.200 2.170 2.141 2.200 . 0 0 "[ . 1 . 2]" 1
272 1 17 GLU HA 1 49 ARG HG3 . . 4.080 3.833 3.795 3.883 . 0 0 "[ . 1 . 2]" 1
273 1 17 GLU HA 1 50 VAL H . . 4.170 3.586 3.488 3.719 . 0 0 "[ . 1 . 2]" 1
274 1 17 GLU QB 1 18 VAL HA . . 4.650 4.324 4.267 4.356 . 0 0 "[ . 1 . 2]" 1
275 1 17 GLU QB 1 18 VAL MG1 . . 4.160 4.472 4.407 4.569 0.409 3 0 "[ . 1 . 2]" 1
276 1 17 GLU QB 1 18 VAL MG2 . . 5.290 3.930 3.865 3.972 . 0 0 "[ . 1 . 2]" 1
277 1 17 GLU QB 1 19 CYS H . . 5.750 5.426 5.284 5.518 . 0 0 "[ . 1 . 2]" 1
278 1 17 GLU QB 1 19 CYS HA . . 5.330 4.956 4.730 5.136 . 0 0 "[ . 1 . 2]" 1
279 1 17 GLU QB 1 36 PHE HA . . 4.740 4.258 4.070 4.546 . 0 0 "[ . 1 . 2]" 1
280 1 17 GLU QB 1 36 PHE HB2 . . 5.240 4.742 4.465 4.873 . 0 0 "[ . 1 . 2]" 1
281 1 17 GLU QB 1 36 PHE HB3 . . 4.890 3.361 3.241 3.479 . 0 0 "[ . 1 . 2]" 1
282 1 17 GLU QB 1 37 ALA MB . . 5.240 4.803 4.691 4.944 . 0 0 "[ . 1 . 2]" 1
283 1 17 GLU QB 1 48 GLY HA3 . . 5.750 5.267 4.963 5.609 . 0 0 "[ . 1 . 2]" 1
284 1 17 GLU QB 1 49 ARG QB . . 5.360 4.780 4.610 4.959 . 0 0 "[ . 1 . 2]" 1
285 1 17 GLU QB 1 49 ARG HD2 . . 5.750 5.829 4.911 6.168 0.418 17 0 "[ . 1 . 2]" 1
286 1 17 GLU QB 1 49 ARG HD3 . . 5.420 4.904 4.554 5.143 . 0 0 "[ . 1 . 2]" 1
287 1 17 GLU QB 1 49 ARG HG2 . . 4.370 3.433 3.184 3.716 . 0 0 "[ . 1 . 2]" 1
288 1 17 GLU QB 1 49 ARG HG3 . . 5.750 4.867 4.638 5.167 . 0 0 "[ . 1 . 2]" 1
289 1 17 GLU QG 1 18 VAL H . . 4.530 4.086 3.811 4.208 . 0 0 "[ . 1 . 2]" 1
290 1 17 GLU QG 1 36 PHE HB3 . . 5.340 5.367 5.346 5.383 0.043 11 0 "[ . 1 . 2]" 1
291 1 17 GLU QG 1 49 ARG HA . . 4.870 4.163 4.060 4.417 . 0 0 "[ . 1 . 2]" 1
292 1 17 GLU QG 1 49 ARG QB . . 4.810 3.866 3.654 4.267 . 0 0 "[ . 1 . 2]" 1
293 1 17 GLU QG 1 49 ARG HD2 . . 4.810 4.094 3.175 4.651 . 0 0 "[ . 1 . 2]" 1
294 1 17 GLU QG 1 49 ARG HG3 . . 5.290 3.815 3.649 4.041 . 0 0 "[ . 1 . 2]" 1
295 1 17 GLU HG2 1 49 ARG HD2 . . 5.750 4.340 3.470 6.460 0.710 17 1 "[ . 1 . + 2]" 1
296 1 17 GLU HG2 1 49 ARG HD3 . . 5.430 3.239 2.575 5.472 0.042 17 0 "[ . 1 . 2]" 1
297 1 17 GLU HG2 1 49 ARG HG2 . . 4.710 2.481 2.336 4.217 . 0 0 "[ . 1 . 2]" 1
298 1 17 GLU HG3 1 49 ARG HD2 . . 5.750 5.401 3.678 5.869 0.119 20 0 "[ . 1 . 2]" 1
299 1 17 GLU HG3 1 49 ARG HD3 . . 5.430 4.151 3.506 4.518 . 0 0 "[ . 1 . 2]" 1
300 1 17 GLU HG3 1 49 ARG HG2 . . 4.710 3.852 2.635 4.153 . 0 0 "[ . 1 . 2]" 1
301 1 18 VAL H 1 18 VAL HB . . 4.150 3.729 3.720 3.747 . 0 0 "[ . 1 . 2]" 1
302 1 18 VAL H 1 18 VAL MG1 . . 3.850 2.403 2.361 2.500 . 0 0 "[ . 1 . 2]" 1
303 1 18 VAL H 1 18 VAL MG2 . . 3.700 2.210 2.149 2.291 . 0 0 "[ . 1 . 2]" 1
304 1 18 VAL H 1 19 CYS H . . 4.860 4.675 4.659 4.702 . 0 0 "[ . 1 . 2]" 1
305 1 18 VAL H 1 49 ARG HA . . 3.690 2.654 2.604 2.701 . 0 0 "[ . 1 . 2]" 1
306 1 18 VAL H 1 49 ARG HG2 . . 4.420 3.675 3.576 3.757 . 0 0 "[ . 1 . 2]" 1
307 1 18 VAL H 1 50 VAL H . . 4.430 4.455 4.397 4.487 0.057 18 0 "[ . 1 . 2]" 1
308 1 18 VAL H 1 50 VAL MG1 . . 4.940 4.678 4.612 4.811 . 0 0 "[ . 1 . 2]" 1
309 1 18 VAL HA 1 18 VAL MG1 . . 3.110 2.398 2.379 2.426 . 0 0 "[ . 1 . 2]" 1
310 1 18 VAL HA 1 19 CYS H . . 3.180 2.344 2.311 2.380 . 0 0 "[ . 1 . 2]" 1
311 1 18 VAL HA 1 36 PHE HA . . 5.750 5.127 5.000 5.257 . 0 0 "[ . 1 . 2]" 1
312 1 18 VAL HA 1 36 PHE HB2 . . 4.770 4.305 4.112 4.505 . 0 0 "[ . 1 . 2]" 1
313 1 18 VAL HA 1 36 PHE HB3 . . 4.510 3.305 3.182 3.444 . 0 0 "[ . 1 . 2]" 1
314 1 18 VAL HA 1 37 ALA H . . 3.830 2.918 2.824 3.065 . 0 0 "[ . 1 . 2]" 1
315 1 18 VAL HA 1 37 ALA MB . . 3.560 2.710 2.597 2.835 . 0 0 "[ . 1 . 2]" 1
316 1 18 VAL HA 1 38 HIS HA . . 5.380 4.626 4.501 4.694 . 0 0 "[ . 1 . 2]" 1
317 1 18 VAL HA 1 39 PRO HD3 . . 4.470 3.789 3.721 3.895 . 0 0 "[ . 1 . 2]" 1
318 1 18 VAL HA 1 39 PRO HG3 . . 5.600 5.115 4.975 5.255 . 0 0 "[ . 1 . 2]" 1
319 1 18 VAL HA 1 50 VAL MG2 . . 3.580 3.257 3.138 3.329 . 0 0 "[ . 1 . 2]" 1
320 1 18 VAL HB 1 19 CYS H . . 4.220 2.670 2.575 2.868 . 0 0 "[ . 1 . 2]" 1
321 1 18 VAL HB 1 23 GLN HG2 . . 4.940 3.925 3.188 4.716 . 0 0 "[ . 1 . 2]" 1
322 1 18 VAL HB 1 39 PRO HD3 . . 4.160 3.594 3.409 3.725 . 0 0 "[ . 1 . 2]" 1
323 1 18 VAL HB 1 39 PRO HG2 . . 5.320 4.697 4.507 4.819 . 0 0 "[ . 1 . 2]" 1
324 1 18 VAL HB 1 49 ARG HA . . 5.750 5.340 5.225 5.426 . 0 0 "[ . 1 . 2]" 1
325 1 18 VAL MG1 1 49 ARG H . . 3.770 3.566 3.537 3.667 . 0 0 "[ . 1 . 2]" 1
326 1 18 VAL MG1 1 49 ARG HA . . 3.260 2.494 2.385 2.581 . 0 0 "[ . 1 . 2]" 1
327 1 18 VAL MG1 1 49 ARG QB . . 5.750 4.180 4.069 4.254 . 0 0 "[ . 1 . 2]" 1
328 1 18 VAL MG2 1 19 CYS H . . 3.870 3.533 3.435 3.661 . 0 0 "[ . 1 . 2]" 1
329 1 18 VAL MG2 1 19 CYS HB2 . . 5.750 5.396 5.289 5.497 . 0 0 "[ . 1 . 2]" 1
330 1 18 VAL MG2 1 19 CYS HB3 . . 5.750 4.913 4.761 5.045 . 0 0 "[ . 1 . 2]" 1
331 1 18 VAL MG2 1 20 ARG HA . . 4.270 3.776 3.628 3.842 . 0 0 "[ . 1 . 2]" 1
332 1 18 VAL MG2 1 22 PHE QD . . 5.550 4.515 4.064 4.794 . 0 0 "[ . 1 . 2]" 1
333 1 18 VAL MG2 1 23 GLN QB . . 5.340 4.032 3.695 4.625 . 0 0 "[ . 1 . 2]" 1
334 1 18 VAL MG2 1 23 GLN HG2 . . 4.000 2.621 2.275 3.329 . 0 0 "[ . 1 . 2]" 1
335 1 18 VAL MG2 1 23 GLN HG3 . . 4.360 2.671 2.250 3.439 . 0 0 "[ . 1 . 2]" 1
336 1 18 VAL MG2 1 48 GLY HA2 . . 3.860 2.637 2.419 2.818 . 0 0 "[ . 1 . 2]" 1
337 1 18 VAL MG2 1 48 GLY HA3 . . 4.520 3.477 3.289 3.683 . 0 0 "[ . 1 . 2]" 1
338 1 19 CYS H 1 19 CYS HB2 . . 3.600 2.559 2.465 2.652 . 0 0 "[ . 1 . 2]" 1
339 1 19 CYS H 1 19 CYS HB3 . . 3.530 2.494 2.399 2.560 . 0 0 "[ . 1 . 2]" 1
340 1 19 CYS H 1 20 ARG H . . 4.770 4.568 4.505 4.640 . 0 0 "[ . 1 . 2]" 1
341 1 19 CYS H 1 22 PHE H . . 5.750 4.917 4.792 5.116 . 0 0 "[ . 1 . 2]" 1
342 1 19 CYS H 1 22 PHE QD . . 5.180 4.166 3.957 4.338 . 0 0 "[ . 1 . 2]" 1
343 1 19 CYS H 1 22 PHE QE . . 5.750 5.759 5.612 5.781 0.031 9 0 "[ . 1 . 2]" 1
344 1 19 CYS H 1 36 PHE HA . . 5.750 5.383 5.271 5.479 . 0 0 "[ . 1 . 2]" 1
345 1 19 CYS H 1 36 PHE HB2 . . 4.070 3.328 3.159 3.437 . 0 0 "[ . 1 . 2]" 1
346 1 19 CYS H 1 37 ALA H . . 4.160 3.845 3.758 3.898 . 0 0 "[ . 1 . 2]" 1
347 1 19 CYS H 1 37 ALA MB . . 4.680 4.167 4.047 4.290 . 0 0 "[ . 1 . 2]" 1
348 1 19 CYS HA 1 20 ARG H . . 3.090 2.133 2.056 2.208 . 0 0 "[ . 1 . 2]" 1
349 1 19 CYS HA 1 20 ARG QB . . 4.900 4.431 4.356 4.572 . 0 0 "[ . 1 . 2]" 1
350 1 19 CYS HA 1 20 ARG QG . . 4.940 4.679 4.541 4.805 . 0 0 "[ . 1 . 2]" 1
351 1 19 CYS HA 1 22 PHE HB3 . . 5.750 4.631 4.534 4.711 . 0 0 "[ . 1 . 2]" 1
352 1 19 CYS HA 1 36 PHE HA . . 5.110 5.073 4.929 5.124 0.014 9 0 "[ . 1 . 2]" 1
353 1 19 CYS HA 1 36 PHE HB2 . . 3.480 2.224 2.152 2.276 . 0 0 "[ . 1 . 2]" 1
354 1 19 CYS HA 1 36 PHE HB3 . . 3.610 3.005 2.774 3.144 . 0 0 "[ . 1 . 2]" 1
355 1 19 CYS HA 1 37 ALA H . . 4.890 4.906 4.771 4.943 0.053 15 0 "[ . 1 . 2]" 1
356 1 19 CYS HB2 1 20 ARG H . . 4.910 4.183 4.114 4.311 . 0 0 "[ . 1 . 2]" 1
357 1 19 CYS HB2 1 34 CYS QB . . 4.960 3.884 3.763 4.128 . 0 0 "[ . 1 . 2]" 1
358 1 19 CYS HB2 1 36 PHE H . . 4.170 3.649 3.307 3.917 . 0 0 "[ . 1 . 2]" 1
359 1 19 CYS HB2 1 36 PHE HA . . 4.990 4.861 4.732 4.939 . 0 0 "[ . 1 . 2]" 1
360 1 19 CYS HB2 1 36 PHE HB2 . . 3.720 2.241 2.151 2.400 . 0 0 "[ . 1 . 2]" 1
361 1 19 CYS HB2 1 36 PHE HB3 . . 3.870 3.560 3.432 3.690 . 0 0 "[ . 1 . 2]" 1
362 1 19 CYS HB2 1 37 ALA H . . 4.490 4.490 4.441 4.523 0.033 3 0 "[ . 1 . 2]" 1
363 1 19 CYS HB2 1 37 ALA MB . . 5.750 5.280 5.178 5.347 . 0 0 "[ . 1 . 2]" 1
364 1 19 CYS HB2 1 38 HIS HA . . 4.800 4.794 4.631 4.836 0.036 8 0 "[ . 1 . 2]" 1
365 1 19 CYS HB3 1 20 ARG H . . 4.350 4.121 3.968 4.281 . 0 0 "[ . 1 . 2]" 1
366 1 19 CYS HB3 1 22 PHE H . . 4.000 2.858 2.682 3.112 . 0 0 "[ . 1 . 2]" 1
367 1 19 CYS HB3 1 23 GLN H . . 4.470 4.304 4.025 4.521 0.051 20 0 "[ . 1 . 2]" 1
368 1 19 CYS HB3 1 27 CYS HB2 . . 4.830 4.138 3.870 4.494 . 0 0 "[ . 1 . 2]" 1
369 1 19 CYS HB3 1 27 CYS HB3 . . 5.100 5.099 4.713 5.492 0.392 11 0 "[ . 1 . 2]" 1
370 1 19 CYS HB3 1 34 CYS QB . . 5.750 4.880 4.708 5.115 . 0 0 "[ . 1 . 2]" 1
371 1 19 CYS HB3 1 36 PHE HB2 . . 4.030 3.805 3.739 3.943 . 0 0 "[ . 1 . 2]" 1
372 1 19 CYS HB3 1 38 HIS HA . . 4.590 4.306 4.056 4.480 . 0 0 "[ . 1 . 2]" 1
373 1 20 ARG H 1 20 ARG QB . . 3.120 2.464 2.400 2.539 . 0 0 "[ . 1 . 2]" 1
374 1 20 ARG H 1 20 ARG QD . . 5.180 1.942 1.760 2.564 . 0 0 "[ . 1 . 2]" 1
375 1 20 ARG H 1 20 ARG QG . . 3.620 3.211 3.082 3.323 . 0 0 "[ . 1 . 2]" 1
376 1 20 ARG H 1 21 GLU H . . 3.520 2.683 2.590 2.776 . 0 0 "[ . 1 . 2]" 1
377 1 20 ARG H 1 21 GLU QB . . 5.260 4.773 4.697 4.922 . 0 0 "[ . 1 . 2]" 1
378 1 20 ARG H 1 21 GLU QG . . 5.480 4.185 3.979 4.281 . 0 0 "[ . 1 . 2]" 1
379 1 20 ARG H 1 22 PHE H . . 4.760 4.159 4.016 4.306 . 0 0 "[ . 1 . 2]" 1
380 1 20 ARG H 1 23 GLN HG3 . . 5.750 5.418 4.553 6.171 0.421 4 0 "[ . 1 . 2]" 1
381 1 20 ARG HA 1 20 ARG QD . . 3.940 3.281 3.077 3.947 0.007 5 0 "[ . 1 . 2]" 1
382 1 20 ARG HA 1 20 ARG QG . . 3.380 2.466 2.368 2.524 . 0 0 "[ . 1 . 2]" 1
383 1 20 ARG HA 1 23 GLN H . . 4.070 3.501 3.374 3.674 . 0 0 "[ . 1 . 2]" 1
384 1 20 ARG HA 1 23 GLN HG2 . . 3.890 3.346 2.386 4.303 0.413 2 0 "[ . 1 . 2]" 1
385 1 20 ARG HA 1 23 GLN HG3 . . 4.070 3.102 2.303 3.595 . 0 0 "[ . 1 . 2]" 1
386 1 20 ARG QB 1 21 GLU H . . 3.470 2.843 2.586 2.985 . 0 0 "[ . 1 . 2]" 1
387 1 20 ARG QB 1 21 GLU HA . . 3.980 4.016 3.947 4.060 0.080 2 0 "[ . 1 . 2]" 1
388 1 20 ARG QB 1 21 GLU QG . . 4.520 3.235 3.110 3.360 . 0 0 "[ . 1 . 2]" 1
389 1 20 ARG QB 1 23 GLN H . . 4.840 4.851 4.815 4.884 0.044 11 0 "[ . 1 . 2]" 1
390 1 20 ARG QB 1 23 GLN HG2 . . 5.190 5.283 4.356 6.126 0.936 2 4 "[ +* . - 1 . *2]" 1
391 1 20 ARG QD 1 21 GLU H . . 4.350 4.039 3.872 4.348 . 0 0 "[ . 1 . 2]" 1
392 1 20 ARG QD 1 21 GLU QG . . 5.220 4.659 4.525 4.686 . 0 0 "[ . 1 . 2]" 1
393 1 20 ARG QG 1 23 GLN HG2 . . 5.750 5.111 4.307 5.630 . 0 0 "[ . 1 . 2]" 1
394 1 20 ARG QG 1 23 GLN HG3 . . 4.690 4.534 4.339 5.012 0.322 4 0 "[ . 1 . 2]" 1
395 1 21 GLU H 1 21 GLU QG . . 3.810 2.343 2.186 2.510 . 0 0 "[ . 1 . 2]" 1
396 1 21 GLU H 1 22 PHE H . . 3.480 2.401 2.265 2.584 . 0 0 "[ . 1 . 2]" 1
397 1 21 GLU H 1 22 PHE HB2 . . 5.000 4.601 4.466 4.788 . 0 0 "[ . 1 . 2]" 1
398 1 21 GLU H 1 27 CYS HA . . 5.070 5.046 4.908 5.109 0.039 9 0 "[ . 1 . 2]" 1
399 1 21 GLU HA 1 21 GLU QG . . 3.510 2.939 2.432 3.097 . 0 0 "[ . 1 . 2]" 1
400 1 21 GLU HA 1 24 ARG QD . . 4.200 3.415 2.740 4.099 . 0 0 "[ . 1 . 2]" 1
401 1 21 GLU HA 1 26 THR H . . 5.490 4.159 3.929 4.481 . 0 0 "[ . 1 . 2]" 1
402 1 21 GLU HA 1 26 THR MG . . 4.650 2.769 2.428 3.068 . 0 0 "[ . 1 . 2]" 1
403 1 21 GLU HA 1 27 CYS HA . . 4.950 4.817 4.630 4.956 0.006 4 0 "[ . 1 . 2]" 1
404 1 21 GLU QB 1 22 PHE H . . 3.550 2.640 2.520 2.738 . 0 0 "[ . 1 . 2]" 1
405 1 21 GLU QB 1 22 PHE HB2 . . 4.450 4.107 3.959 4.231 . 0 0 "[ . 1 . 2]" 1
406 1 21 GLU QB 1 22 PHE QD . . 5.750 5.345 5.230 5.447 . 0 0 "[ . 1 . 2]" 1
407 1 21 GLU QB 1 23 GLN H . . 4.550 4.601 4.585 4.627 0.077 16 0 "[ . 1 . 2]" 1
408 1 21 GLU QB 1 26 THR H . . 4.820 3.690 3.604 3.883 . 0 0 "[ . 1 . 2]" 1
409 1 21 GLU QB 1 26 THR MG . . 4.060 2.377 2.282 2.592 . 0 0 "[ . 1 . 2]" 1
410 1 21 GLU QB 1 27 CYS H . . 4.280 3.240 3.005 3.429 . 0 0 "[ . 1 . 2]" 1
411 1 21 GLU QB 1 27 CYS HA . . 3.190 2.243 2.108 2.342 . 0 0 "[ . 1 . 2]" 1
412 1 21 GLU QB 1 27 CYS HB2 . . 3.360 2.461 2.297 2.652 . 0 0 "[ . 1 . 2]" 1
413 1 21 GLU QB 1 27 CYS HB3 . . 3.610 3.879 3.712 4.033 0.423 19 0 "[ . 1 . 2]" 1
414 1 21 GLU QG 1 22 PHE H . . 4.590 4.054 3.924 4.128 . 0 0 "[ . 1 . 2]" 1
415 1 21 GLU QG 1 26 THR MG . . 5.460 3.732 3.202 4.041 . 0 0 "[ . 1 . 2]" 1
416 1 21 GLU QG 1 27 CYS HA . . 4.300 3.463 3.230 3.899 . 0 0 "[ . 1 . 2]" 1
417 1 21 GLU QG 1 27 CYS HB2 . . 5.490 4.364 4.235 4.521 . 0 0 "[ . 1 . 2]" 1
418 1 22 PHE H 1 22 PHE HB2 . . 3.540 2.389 2.355 2.445 . 0 0 "[ . 1 . 2]" 1
419 1 22 PHE H 1 22 PHE HB3 . . 3.450 2.451 2.399 2.516 . 0 0 "[ . 1 . 2]" 1
420 1 22 PHE H 1 22 PHE QD . . 5.040 4.164 4.150 4.186 . 0 0 "[ . 1 . 2]" 1
421 1 22 PHE H 1 23 GLN H . . 3.800 2.653 2.534 2.728 . 0 0 "[ . 1 . 2]" 1
422 1 22 PHE H 1 24 ARG H . . 4.860 4.167 3.873 4.369 . 0 0 "[ . 1 . 2]" 1
423 1 22 PHE H 1 26 THR MG . . 4.950 4.850 4.729 4.949 . 0 0 "[ . 1 . 2]" 1
424 1 22 PHE H 1 27 CYS H . . 5.490 4.280 4.124 4.446 . 0 0 "[ . 1 . 2]" 1
425 1 22 PHE H 1 27 CYS HA . . 4.750 4.549 4.440 4.635 . 0 0 "[ . 1 . 2]" 1
426 1 22 PHE H 1 27 CYS HB2 . . 3.810 2.675 2.576 2.780 . 0 0 "[ . 1 . 2]" 1
427 1 22 PHE HA 1 22 PHE QD . . 3.950 2.862 2.723 3.031 . 0 0 "[ . 1 . 2]" 1
428 1 22 PHE HA 1 24 ARG H . . 4.350 3.713 3.621 3.835 . 0 0 "[ . 1 . 2]" 1
429 1 22 PHE HA 1 26 THR H . . 3.950 3.151 2.932 3.302 . 0 0 "[ . 1 . 2]" 1
430 1 22 PHE HA 1 27 CYS H . . 4.190 2.847 2.712 2.975 . 0 0 "[ . 1 . 2]" 1
431 1 22 PHE HA 1 27 CYS HA . . 4.910 4.838 4.738 4.906 . 0 0 "[ . 1 . 2]" 1
432 1 22 PHE HA 1 27 CYS HB2 . . 3.840 2.778 2.602 2.952 . 0 0 "[ . 1 . 2]" 1
433 1 22 PHE HA 1 27 CYS HB3 . . 3.790 3.448 3.335 3.597 . 0 0 "[ . 1 . 2]" 1
434 1 22 PHE HB2 1 23 GLN H . . 4.080 3.995 3.869 4.096 0.016 7 0 "[ . 1 . 2]" 1
435 1 22 PHE HB2 1 23 GLN HA . . 5.750 5.793 5.780 5.811 0.061 3 0 "[ . 1 . 2]" 1
436 1 22 PHE HB2 1 27 CYS HA . . 5.220 5.082 5.001 5.130 . 0 0 "[ . 1 . 2]" 1
437 1 22 PHE HB2 1 27 CYS HB2 . . 4.510 2.581 2.492 2.639 . 0 0 "[ . 1 . 2]" 1
438 1 22 PHE HB2 1 38 HIS HA . . 5.060 4.599 4.385 4.871 . 0 0 "[ . 1 . 2]" 1
439 1 22 PHE HB3 1 23 GLN H . . 3.770 2.861 2.687 3.096 . 0 0 "[ . 1 . 2]" 1
440 1 22 PHE HB3 1 23 GLN HA . . 5.750 4.459 4.426 4.511 . 0 0 "[ . 1 . 2]" 1
441 1 22 PHE HB3 1 23 GLN HG2 . . 4.870 4.200 3.732 5.195 0.325 3 0 "[ . 1 . 2]" 1
442 1 22 PHE HB3 1 27 CYS HB2 . . 4.260 4.001 3.979 4.035 . 0 0 "[ . 1 . 2]" 1
443 1 22 PHE HB3 1 27 CYS HB3 . . 4.890 4.942 4.750 5.088 0.198 1 0 "[ . 1 . 2]" 1
444 1 22 PHE HB3 1 38 HIS HA . . 5.320 4.237 4.031 4.545 . 0 0 "[ . 1 . 2]" 1
445 1 22 PHE QD 1 23 GLN H . . 4.720 3.942 3.767 4.240 . 0 0 "[ . 1 . 2]" 1
446 1 22 PHE QD 1 23 GLN HA . . 5.020 3.843 3.670 4.001 . 0 0 "[ . 1 . 2]" 1
447 1 22 PHE QD 1 23 GLN HG2 . . 5.750 4.250 3.598 4.821 . 0 0 "[ . 1 . 2]" 1
448 1 22 PHE QD 1 27 CYS H . . 4.360 4.215 3.761 4.368 0.008 3 0 "[ . 1 . 2]" 1
449 1 22 PHE QD 1 27 CYS HA . . 5.750 5.675 5.443 5.753 0.003 8 0 "[ . 1 . 2]" 1
450 1 22 PHE QD 1 27 CYS HB2 . . 4.250 3.546 3.395 3.693 . 0 0 "[ . 1 . 2]" 1
451 1 22 PHE QD 1 27 CYS HB3 . . 4.050 2.942 2.683 3.085 . 0 0 "[ . 1 . 2]" 1
452 1 22 PHE QD 1 34 CYS QB . . 5.750 5.756 5.708 5.791 0.041 11 0 "[ . 1 . 2]" 1
453 1 22 PHE QD 1 38 HIS HA . . 4.070 3.405 3.219 3.749 . 0 0 "[ . 1 . 2]" 1
454 1 22 PHE QD 1 38 HIS HB2 . . 5.120 4.982 4.788 5.156 0.036 11 0 "[ . 1 . 2]" 1
455 1 22 PHE QD 1 39 PRO HD3 . . 4.160 4.533 4.373 4.818 0.658 6 4 "[-* .+ * 1 . 2]" 1
456 1 22 PHE QD 1 39 PRO HG2 . . 5.040 3.931 3.688 4.266 . 0 0 "[ . 1 . 2]" 1
457 1 22 PHE QE 1 27 CYS HB2 . . 5.750 5.835 5.688 5.975 0.225 14 0 "[ . 1 . 2]" 1
458 1 22 PHE QE 1 27 CYS HB3 . . 5.440 5.059 4.796 5.190 . 0 0 "[ . 1 . 2]" 1
459 1 22 PHE QE 1 31 ASP QB . . 5.750 5.246 4.485 5.540 . 0 0 "[ . 1 . 2]" 1
460 1 22 PHE QE 1 38 HIS HA . . 4.500 3.408 3.195 3.631 . 0 0 "[ . 1 . 2]" 1
461 1 22 PHE QE 1 38 HIS HB2 . . 4.680 4.494 4.348 4.691 0.011 11 0 "[ . 1 . 2]" 1
462 1 22 PHE QE 1 38 HIS HB3 . . 4.830 3.043 2.893 3.306 . 0 0 "[ . 1 . 2]" 1
463 1 22 PHE QE 1 39 PRO HD2 . . 4.010 2.541 2.450 2.657 . 0 0 "[ . 1 . 2]" 1
464 1 22 PHE QE 1 39 PRO HD3 . . 4.490 4.153 4.065 4.345 . 0 0 "[ . 1 . 2]" 1
465 1 22 PHE QE 1 39 PRO HG2 . . 4.530 2.504 2.400 2.781 . 0 0 "[ . 1 . 2]" 1
466 1 22 PHE QE 1 39 PRO HG3 . . 5.120 4.042 3.932 4.267 . 0 0 "[ . 1 . 2]" 1
467 1 22 PHE HZ 1 38 HIS HA . . 4.280 4.224 4.125 4.293 0.013 20 0 "[ . 1 . 2]" 1
468 1 22 PHE HZ 1 38 HIS HB2 . . 5.090 4.933 4.786 5.097 0.007 8 0 "[ . 1 . 2]" 1
469 1 22 PHE HZ 1 38 HIS HB3 . . 4.770 3.281 3.155 3.401 . 0 0 "[ . 1 . 2]" 1
470 1 22 PHE HZ 1 39 PRO HD2 . . 4.900 4.342 4.032 4.504 . 0 0 "[ . 1 . 2]" 1
471 1 23 GLN H 1 23 GLN QB . . 3.370 2.430 2.263 2.631 . 0 0 "[ . 1 . 2]" 1
472 1 23 GLN H 1 23 GLN HG2 . . 3.390 2.771 2.348 3.692 0.302 3 0 "[ . 1 . 2]" 1
473 1 23 GLN H 1 23 GLN HG3 . . 3.350 3.524 2.300 3.935 0.585 17 4 "[ -.* * . + 2]" 1
474 1 23 GLN H 1 24 ARG H . . 3.490 2.705 2.617 2.768 . 0 0 "[ . 1 . 2]" 1
475 1 23 GLN HA 1 23 GLN HG2 . . 3.590 2.932 2.484 3.465 . 0 0 "[ . 1 . 2]" 1
476 1 23 GLN HA 1 23 GLN HG3 . . 3.770 3.625 3.075 3.770 0.000 16 0 "[ . 1 . 2]" 1
477 1 23 GLN HA 1 24 ARG HA . . 4.630 4.651 4.622 4.690 0.060 3 0 "[ . 1 . 2]" 1
478 1 23 GLN HA 1 25 GLY H . . 5.210 3.931 3.793 4.067 . 0 0 "[ . 1 . 2]" 1
479 1 23 GLN QB 1 24 ARG H . . 3.490 3.091 2.880 3.183 . 0 0 "[ . 1 . 2]" 1
480 1 23 GLN QB 1 24 ARG QD . . 4.490 2.864 2.185 4.402 . 0 0 "[ . 1 . 2]" 1
481 1 23 GLN HB2 1 24 ARG H . . 4.070 3.226 2.986 3.352 . 0 0 "[ . 1 . 2]" 1
482 1 23 GLN HB2 1 24 ARG QD . . 5.130 3.003 2.212 4.779 . 0 0 "[ . 1 . 2]" 1
483 1 23 GLN HB3 1 24 ARG H . . 4.070 3.975 3.787 4.095 0.025 6 0 "[ . 1 . 2]" 1
484 1 23 GLN HB3 1 24 ARG QD . . 5.130 3.766 2.836 5.151 0.021 14 0 "[ . 1 . 2]" 1
485 1 24 ARG H 1 24 ARG HB2 . . 3.230 2.588 2.404 2.796 . 0 0 "[ . 1 . 2]" 1
486 1 24 ARG H 1 24 ARG QD . . 4.290 3.069 2.487 4.333 0.043 14 0 "[ . 1 . 2]" 1
487 1 24 ARG H 1 24 ARG QG . . 3.710 3.362 2.340 3.714 0.004 12 0 "[ . 1 . 2]" 1
488 1 24 ARG H 1 25 GLY H . . 3.820 2.288 2.222 2.387 . 0 0 "[ . 1 . 2]" 1
489 1 24 ARG H 1 25 GLY HA2 . . 5.070 4.388 4.310 4.491 . 0 0 "[ . 1 . 2]" 1
490 1 24 ARG H 1 26 THR H . . 4.060 3.408 3.329 3.584 . 0 0 "[ . 1 . 2]" 1
491 1 24 ARG H 1 26 THR MG . . 4.740 3.576 3.402 3.823 . 0 0 "[ . 1 . 2]" 1
492 1 24 ARG HA 1 24 ARG QD . . 4.030 3.731 3.421 4.127 0.097 16 0 "[ . 1 . 2]" 1
493 1 24 ARG HA 1 24 ARG QG . . 3.410 2.404 2.293 2.566 . 0 0 "[ . 1 . 2]" 1
494 1 24 ARG HA 1 26 THR MG . . 4.810 4.529 4.386 4.717 . 0 0 "[ . 1 . 2]" 1
495 1 24 ARG HB2 1 24 ARG QD . . 3.700 2.488 2.318 3.105 . 0 0 "[ . 1 . 2]" 1
496 1 24 ARG HB2 1 26 THR H . . 5.140 3.686 3.435 3.819 . 0 0 "[ . 1 . 2]" 1
497 1 24 ARG HB2 1 26 THR HB . . 4.670 4.086 3.689 4.473 . 0 0 "[ . 1 . 2]" 1
498 1 24 ARG HB2 1 26 THR MG . . 4.130 2.302 2.226 2.406 . 0 0 "[ . 1 . 2]" 1
499 1 24 ARG HB3 1 24 ARG QD . . 3.690 3.225 2.448 3.568 . 0 0 "[ . 1 . 2]" 1
500 1 24 ARG HB3 1 25 GLY H . . 4.210 4.417 4.320 4.500 0.290 19 0 "[ . 1 . 2]" 1
501 1 24 ARG HB3 1 26 THR HB . . 5.360 4.149 3.896 4.562 . 0 0 "[ . 1 . 2]" 1
502 1 24 ARG HB3 1 26 THR MG . . 4.110 3.141 2.687 3.607 . 0 0 "[ . 1 . 2]" 1
503 1 24 ARG QD 1 25 GLY H . . 5.750 4.963 4.474 5.812 0.062 14 0 "[ . 1 . 2]" 1
504 1 24 ARG QD 1 26 THR MG . . 4.310 3.755 3.330 4.319 0.009 12 0 "[ . 1 . 2]" 1
505 1 24 ARG QG 1 26 THR H . . 5.750 5.497 4.887 5.635 . 0 0 "[ . 1 . 2]" 1
506 1 24 ARG QG 1 26 THR MG . . 4.110 4.053 3.837 4.130 0.020 3 0 "[ . 1 . 2]" 1
507 1 25 GLY H 1 26 THR H . . 3.340 2.837 2.661 2.885 . 0 0 "[ . 1 . 2]" 1
508 1 25 GLY H 1 26 THR MG . . 4.620 4.130 4.018 4.179 . 0 0 "[ . 1 . 2]" 1
509 1 25 GLY HA2 1 26 THR HA . . 5.260 4.525 4.504 4.538 . 0 0 "[ . 1 . 2]" 1
510 1 25 GLY HA2 1 26 THR HB . . 5.750 5.078 5.003 5.123 . 0 0 "[ . 1 . 2]" 1
511 1 25 GLY HA2 1 26 THR MG . . 4.850 4.796 4.773 4.838 . 0 0 "[ . 1 . 2]" 1
512 1 25 GLY HA3 1 26 THR HA . . 5.350 4.655 4.645 4.685 . 0 0 "[ . 1 . 2]" 1
513 1 25 GLY HA3 1 26 THR HB . . 5.750 4.666 4.535 4.754 . 0 0 "[ . 1 . 2]" 1
514 1 25 GLY HA3 1 26 THR MG . . 4.890 4.922 4.863 4.982 0.092 1 0 "[ . 1 . 2]" 1
515 1 26 THR H 1 26 THR HB . . 3.990 3.064 3.008 3.105 . 0 0 "[ . 1 . 2]" 1
516 1 26 THR H 1 26 THR MG . . 3.360 2.347 2.294 2.394 . 0 0 "[ . 1 . 2]" 1
517 1 26 THR H 1 27 CYS H . . 3.960 2.325 2.195 2.433 . 0 0 "[ . 1 . 2]" 1
518 1 26 THR H 1 27 CYS HB2 . . 4.740 4.164 4.059 4.244 . 0 0 "[ . 1 . 2]" 1
519 1 26 THR H 1 27 CYS HB3 . . 4.580 4.812 4.730 4.933 0.353 5 0 "[ . 1 . 2]" 1
520 1 26 THR HA 1 26 THR MG . . 3.330 3.258 3.242 3.270 . 0 0 "[ . 1 . 2]" 1
521 1 26 THR HA 1 27 CYS H . . 3.580 3.165 3.078 3.266 . 0 0 "[ . 1 . 2]" 1
522 1 26 THR MG 1 27 CYS H . . 4.320 3.567 3.398 3.695 . 0 0 "[ . 1 . 2]" 1
523 1 27 CYS H 1 27 CYS HB2 . . 3.710 2.474 2.378 2.511 . 0 0 "[ . 1 . 2]" 1
524 1 27 CYS H 1 27 CYS HB3 . . 3.590 2.634 2.569 2.723 . 0 0 "[ . 1 . 2]" 1
525 1 27 CYS HA 1 28 SER QB . . 5.170 4.288 4.086 4.476 . 0 0 "[ . 1 . 2]" 1
526 1 27 CYS HA 1 29 ARG H . . 4.390 4.162 3.816 4.395 0.005 2 0 "[ . 1 . 2]" 1
527 1 27 CYS HB2 1 29 ARG H . . 5.010 4.644 4.523 4.756 . 0 0 "[ . 1 . 2]" 1
528 1 27 CYS HB3 1 29 ARG H . . 4.720 3.550 3.432 3.683 . 0 0 "[ . 1 . 2]" 1
529 1 27 CYS HB3 1 34 CYS QB . . 5.750 5.380 5.042 5.640 . 0 0 "[ . 1 . 2]" 1
530 1 28 SER HA 1 28 SER HB2 . . 3.030 2.717 2.432 3.040 0.010 14 0 "[ . 1 . 2]" 1
531 1 28 SER HA 1 28 SER HB3 . . 3.030 2.442 2.413 2.460 . 0 0 "[ . 1 . 2]" 1
532 1 28 SER QB 1 29 ARG H . . 4.110 3.789 3.404 4.020 . 0 0 "[ . 1 . 2]" 1
533 1 28 SER HB2 1 29 ARG H . . 4.820 4.114 3.562 4.459 . 0 0 "[ . 1 . 2]" 1
534 1 28 SER HB3 1 29 ARG H . . 4.820 4.477 4.322 4.571 . 0 0 "[ . 1 . 2]" 1
535 1 29 ARG H 1 29 ARG HB2 . . 3.060 2.528 2.469 2.593 . 0 0 "[ . 1 . 2]" 1
536 1 29 ARG H 1 29 ARG HB3 . . 3.670 3.714 3.685 3.742 0.072 9 0 "[ . 1 . 2]" 1
537 1 29 ARG H 1 29 ARG QD . . 5.410 4.516 4.204 4.717 . 0 0 "[ . 1 . 2]" 1
538 1 29 ARG H 1 29 ARG QG . . 3.680 3.046 2.818 3.282 . 0 0 "[ . 1 . 2]" 1
539 1 29 ARG H 1 30 PRO QD . . 5.270 4.432 4.399 4.471 . 0 0 "[ . 1 . 2]" 1
540 1 29 ARG H 1 34 CYS QB . . 5.750 4.376 4.148 4.664 . 0 0 "[ . 1 . 2]" 1
541 1 29 ARG HA 1 29 ARG QG . . 3.620 2.470 2.315 2.554 . 0 0 "[ . 1 . 2]" 1
542 1 29 ARG HA 1 30 PRO QB . . 5.290 4.669 4.620 4.699 . 0 0 "[ . 1 . 2]" 1
543 1 29 ARG HA 1 30 PRO QD . . 3.060 2.112 2.084 2.160 . 0 0 "[ . 1 . 2]" 1
544 1 29 ARG HA 1 33 GLU HB2 . . 4.740 3.979 3.672 4.778 0.038 13 0 "[ . 1 . 2]" 1
545 1 29 ARG HA 1 33 GLU HB3 . . 4.240 4.281 4.013 4.323 0.083 1 0 "[ . 1 . 2]" 1
546 1 29 ARG HA 1 34 CYS QB . . 5.750 4.937 4.727 5.207 . 0 0 "[ . 1 . 2]" 1
547 1 29 ARG HB2 1 29 ARG QD . . 3.920 2.647 2.240 2.834 . 0 0 "[ . 1 . 2]" 1
548 1 29 ARG HB2 1 30 PRO QD . . 4.940 3.878 3.728 3.988 . 0 0 "[ . 1 . 2]" 1
549 1 29 ARG HB2 1 34 CYS HA . . 3.790 3.251 2.586 3.631 . 0 0 "[ . 1 . 2]" 1
550 1 29 ARG HB2 1 34 CYS QB . . 4.470 2.497 2.368 2.729 . 0 0 "[ . 1 . 2]" 1
551 1 29 ARG HB3 1 29 ARG QD . . 3.760 2.457 2.257 2.743 . 0 0 "[ . 1 . 2]" 1
552 1 29 ARG HB3 1 30 PRO QD . . 4.070 2.545 2.329 2.685 . 0 0 "[ . 1 . 2]" 1
553 1 29 ARG HB3 1 33 GLU HB3 . . 4.350 2.676 2.233 2.856 . 0 0 "[ . 1 . 2]" 1
554 1 29 ARG HB3 1 34 CYS H . . 4.640 3.139 2.986 3.290 . 0 0 "[ . 1 . 2]" 1
555 1 29 ARG HB3 1 34 CYS HA . . 4.070 3.387 2.950 3.610 . 0 0 "[ . 1 . 2]" 1
556 1 29 ARG HB3 1 34 CYS QB . . 3.980 3.011 2.828 3.246 . 0 0 "[ . 1 . 2]" 1
557 1 29 ARG QD 1 33 GLU HA . . 5.750 4.469 4.015 4.991 . 0 0 "[ . 1 . 2]" 1
558 1 29 ARG QD 1 33 GLU HB2 . . 4.920 3.822 3.293 4.453 . 0 0 "[ . 1 . 2]" 1
559 1 29 ARG QD 1 33 GLU HB3 . . 4.140 2.707 2.272 2.991 . 0 0 "[ . 1 . 2]" 1
560 1 29 ARG QD 1 33 GLU QG . . 5.080 4.445 4.002 4.587 . 0 0 "[ . 1 . 2]" 1
561 1 29 ARG QD 1 34 CYS H . . 4.860 3.753 3.611 3.974 . 0 0 "[ . 1 . 2]" 1
562 1 29 ARG QD 1 34 CYS HA . . 3.520 2.146 1.955 2.273 . 0 0 "[ . 1 . 2]" 1
563 1 29 ARG QD 1 34 CYS QB . . 4.210 3.477 2.894 3.730 . 0 0 "[ . 1 . 2]" 1
564 1 29 ARG QD 1 35 LYS H . . 4.480 3.824 3.489 4.006 . 0 0 "[ . 1 . 2]" 1
565 1 29 ARG QG 1 30 PRO QD . . 4.600 3.291 3.056 3.577 . 0 0 "[ . 1 . 2]" 1
566 1 29 ARG QG 1 34 CYS QB . . 4.890 4.336 4.169 4.580 . 0 0 "[ . 1 . 2]" 1
567 1 30 PRO QB 1 31 ASP H . . 4.070 2.641 2.581 2.748 . 0 0 "[ . 1 . 2]" 1
568 1 30 PRO QB 1 32 THR H . . 3.420 2.564 2.499 2.698 . 0 0 "[ . 1 . 2]" 1
569 1 30 PRO QB 1 32 THR MG . . 5.750 3.744 3.577 3.995 . 0 0 "[ . 1 . 2]" 1
570 1 30 PRO QB 1 33 GLU H . . 4.750 3.906 3.753 4.008 . 0 0 "[ . 1 . 2]" 1
571 1 30 PRO QB 1 33 GLU HB2 . . 5.050 4.262 4.150 4.350 . 0 0 "[ . 1 . 2]" 1
572 1 30 PRO QD 1 31 ASP H . . 5.750 4.954 4.936 4.969 . 0 0 "[ . 1 . 2]" 1
573 1 30 PRO QD 1 33 GLU H . . 4.720 3.805 3.523 3.926 . 0 0 "[ . 1 . 2]" 1
574 1 30 PRO QD 1 33 GLU HB2 . . 3.550 2.179 2.102 2.505 . 0 0 "[ . 1 . 2]" 1
575 1 30 PRO QD 1 33 GLU HB3 . . 3.690 3.080 2.422 3.247 . 0 0 "[ . 1 . 2]" 1
576 1 30 PRO QD 1 33 GLU HG2 . . 4.810 4.037 3.214 4.580 . 0 0 "[ . 1 . 2]" 1
577 1 30 PRO QD 1 33 GLU QG . . 4.030 3.165 2.409 3.598 . 0 0 "[ . 1 . 2]" 1
578 1 30 PRO QD 1 33 GLU HG3 . . 4.810 3.361 2.488 4.645 . 0 0 "[ . 1 . 2]" 1
579 1 30 PRO HG2 1 31 ASP H . . 4.940 4.372 4.301 4.465 . 0 0 "[ . 1 . 2]" 1
580 1 30 PRO HG2 1 32 THR H . . 4.670 3.220 3.123 3.351 . 0 0 "[ . 1 . 2]" 1
581 1 30 PRO HG2 1 33 GLU H . . 3.300 2.829 2.512 2.970 . 0 0 "[ . 1 . 2]" 1
582 1 31 ASP H 1 31 ASP QB . . 3.580 2.393 2.187 2.606 . 0 0 "[ . 1 . 2]" 1
583 1 31 ASP H 1 32 THR H . . 3.930 2.800 2.749 2.879 . 0 0 "[ . 1 . 2]" 1
584 1 31 ASP HA 1 33 GLU H . . 4.490 3.885 3.764 4.205 . 0 0 "[ . 1 . 2]" 1
585 1 31 ASP HA 1 34 CYS H . . 5.290 3.693 3.579 3.993 . 0 0 "[ . 1 . 2]" 1
586 1 31 ASP HA 1 34 CYS QB . . 3.970 3.399 3.025 3.601 . 0 0 "[ . 1 . 2]" 1
587 1 31 ASP HA 1 38 HIS HB2 . . 4.440 2.834 2.661 2.977 . 0 0 "[ . 1 . 2]" 1
588 1 31 ASP HA 1 38 HIS HB3 . . 4.580 4.196 3.761 4.465 . 0 0 "[ . 1 . 2]" 1
589 1 31 ASP QB 1 32 THR H . . 3.860 3.357 2.755 3.628 . 0 0 "[ . 1 . 2]" 1
590 1 31 ASP QB 1 32 THR HA . . 4.520 4.451 4.100 4.547 0.027 15 0 "[ . 1 . 2]" 1
591 1 31 ASP QB 1 32 THR MG . . 4.440 3.921 3.214 4.251 . 0 0 "[ . 1 . 2]" 1
592 1 31 ASP QB 1 38 HIS H . . 4.090 3.538 3.289 4.098 0.008 10 0 "[ . 1 . 2]" 1
593 1 31 ASP QB 1 38 HIS HB2 . . 4.020 2.206 2.133 2.400 . 0 0 "[ . 1 . 2]" 1
594 1 32 THR H 1 32 THR HB . . 4.090 3.597 3.574 3.621 . 0 0 "[ . 1 . 2]" 1
595 1 32 THR H 1 32 THR MG . . 3.160 2.486 2.388 2.616 . 0 0 "[ . 1 . 2]" 1
596 1 32 THR H 1 33 GLU H . . 3.520 2.728 2.589 2.790 . 0 0 "[ . 1 . 2]" 1
597 1 32 THR H 1 38 HIS HB2 . . 5.750 5.801 5.758 5.837 0.087 8 0 "[ . 1 . 2]" 1
598 1 32 THR H 1 72 PRO QB . . 5.340 4.055 3.865 4.360 . 0 0 "[ . 1 . 2]" 1
599 1 32 THR HA 1 32 THR MG . . 3.000 2.290 2.265 2.319 . 0 0 "[ . 1 . 2]" 1
600 1 32 THR HA 1 72 PRO HA . . 4.860 3.776 3.564 3.960 . 0 0 "[ . 1 . 2]" 1
601 1 32 THR HA 1 72 PRO HB2 . . 3.750 2.117 2.049 2.233 . 0 0 "[ . 1 . 2]" 1
602 1 32 THR HA 1 72 PRO QB . . 3.250 1.997 1.958 2.024 . 0 0 "[ . 1 . 2]" 1
603 1 32 THR HA 1 72 PRO HB3 . . 3.750 2.474 2.274 2.709 . 0 0 "[ . 1 . 2]" 1
604 1 32 THR HA 1 72 PRO HG2 . . 4.290 4.267 4.150 4.387 0.097 20 0 "[ . 1 . 2]" 1
605 1 32 THR HA 1 72 PRO HG3 . . 4.140 3.991 3.797 4.114 . 0 0 "[ . 1 . 2]" 1
606 1 32 THR HA 1 74 HIS QB . . 5.340 4.397 3.779 5.051 . 0 0 "[ . 1 . 2]" 1
607 1 32 THR HB 1 33 GLU H . . 4.670 4.099 3.893 4.219 . 0 0 "[ . 1 . 2]" 1
608 1 32 THR HB 1 33 GLU QG . . 5.340 3.974 3.416 5.347 0.007 13 0 "[ . 1 . 2]" 1
609 1 32 THR HB 1 72 PRO HB2 . . 4.630 4.250 4.033 4.327 . 0 0 "[ . 1 . 2]" 1
610 1 32 THR HB 1 72 PRO HB3 . . 4.630 4.740 4.558 4.877 0.247 18 0 "[ . 1 . 2]" 1
611 1 32 THR HB 1 73 PRO HD2 . . 3.520 3.107 2.746 3.214 . 0 0 "[ . 1 . 2]" 1
612 1 32 THR HB 1 73 PRO QG . . 4.330 3.682 2.925 4.182 . 0 0 "[ . 1 . 2]" 1
613 1 32 THR MG 1 33 GLU H . . 4.570 4.340 4.277 4.394 . 0 0 "[ . 1 . 2]" 1
614 1 32 THR MG 1 72 PRO HA . . 4.230 3.436 3.220 3.745 . 0 0 "[ . 1 . 2]" 1
615 1 32 THR MG 1 72 PRO HB2 . . 3.730 3.537 3.369 3.753 0.023 8 0 "[ . 1 . 2]" 1
616 1 32 THR MG 1 72 PRO QB . . 3.240 2.928 2.703 3.113 . 0 0 "[ . 1 . 2]" 1
617 1 32 THR MG 1 72 PRO HB3 . . 3.730 3.125 2.847 3.325 . 0 0 "[ . 1 . 2]" 1
618 1 32 THR MG 1 73 PRO HB2 . . 5.470 5.175 4.784 5.679 0.209 3 0 "[ . 1 . 2]" 1
619 1 32 THR MG 1 73 PRO HB3 . . 5.750 5.847 5.334 6.100 0.350 6 0 "[ . 1 . 2]" 1
620 1 32 THR MG 1 73 PRO HD2 . . 3.510 2.686 2.317 2.918 . 0 0 "[ . 1 . 2]" 1
621 1 32 THR MG 1 73 PRO HD3 . . 4.070 3.274 3.164 3.519 . 0 0 "[ . 1 . 2]" 1
622 1 33 GLU H 1 33 GLU HB2 . . 3.590 2.412 2.306 2.576 . 0 0 "[ . 1 . 2]" 1
623 1 33 GLU H 1 34 CYS QB . . 3.980 3.848 3.720 3.957 . 0 0 "[ . 1 . 2]" 1
624 1 33 GLU HA 1 33 GLU HG2 . . 3.780 2.665 2.309 3.610 . 0 0 "[ . 1 . 2]" 1
625 1 33 GLU HA 1 33 GLU QG . . 3.090 2.514 2.206 2.888 . 0 0 "[ . 1 . 2]" 1
626 1 33 GLU HA 1 33 GLU HG3 . . 3.780 3.305 2.430 3.763 . 0 0 "[ . 1 . 2]" 1
627 1 33 GLU HA 1 34 CYS H . . 3.820 3.547 3.479 3.585 . 0 0 "[ . 1 . 2]" 1
628 1 33 GLU HA 1 74 HIS QB . . 5.270 3.107 2.333 3.735 . 0 0 "[ . 1 . 2]" 1
629 1 33 GLU HB3 1 34 CYS H . . 4.160 3.613 2.914 3.834 . 0 0 "[ . 1 . 2]" 1
630 1 33 GLU HB3 1 34 CYS HA . . 4.610 4.044 3.733 4.252 . 0 0 "[ . 1 . 2]" 1
631 1 33 GLU QG 1 74 HIS QB . . 5.340 4.801 3.955 5.367 0.027 20 0 "[ . 1 . 2]" 1
632 1 34 CYS H 1 34 CYS QB . . 3.110 2.174 2.139 2.221 . 0 0 "[ . 1 . 2]" 1
633 1 34 CYS H 1 35 LYS H . . 4.830 4.565 4.489 4.603 . 0 0 "[ . 1 . 2]" 1
634 1 34 CYS H 1 72 PRO QB . . 5.260 5.165 4.904 5.280 0.020 13 0 "[ . 1 . 2]" 1
635 1 34 CYS H 1 75 LEU MD1 . . 5.750 5.149 4.869 5.449 . 0 0 "[ . 1 . 2]" 1
636 1 34 CYS H 1 75 LEU MD2 . . 5.750 5.956 5.468 6.437 0.687 10 3 "[ * . + . - 2]" 1
637 1 34 CYS HA 1 35 LYS H . . 2.920 2.315 2.163 2.416 . 0 0 "[ . 1 . 2]" 1
638 1 34 CYS HA 1 35 LYS QB . . 4.960 4.418 3.873 4.847 . 0 0 "[ . 1 . 2]" 1
639 1 34 CYS HA 1 36 PHE H . . 4.390 4.100 3.881 4.320 . 0 0 "[ . 1 . 2]" 1
640 1 34 CYS QB 1 35 LYS H . . 4.000 3.095 2.855 3.410 . 0 0 "[ . 1 . 2]" 1
641 1 34 CYS QB 1 36 PHE H . . 3.870 2.840 2.696 3.020 . 0 0 "[ . 1 . 2]" 1
642 1 34 CYS QB 1 75 LEU HG . . 5.750 5.436 5.061 5.723 . 0 0 "[ . 1 . 2]" 1
643 1 35 LYS H 1 35 LYS QB . . 3.060 2.444 2.117 3.080 0.020 6 0 "[ . 1 . 2]" 1
644 1 35 LYS H 1 35 LYS HG2 . . 4.520 3.314 2.231 4.135 . 0 0 "[ . 1 . 2]" 1
645 1 35 LYS H 1 35 LYS QG . . 3.780 2.659 2.214 3.779 . 0 0 "[ . 1 . 2]" 1
646 1 35 LYS H 1 35 LYS HG3 . . 4.520 3.240 2.302 4.496 . 0 0 "[ . 1 . 2]" 1
647 1 35 LYS H 1 36 PHE H . . 3.390 2.470 2.339 2.624 . 0 0 "[ . 1 . 2]" 1
648 1 35 LYS HA 1 35 LYS QD . . 4.970 3.280 2.167 4.556 . 0 0 "[ . 1 . 2]" 1
649 1 35 LYS HA 1 35 LYS QE . . 4.400 4.197 2.988 4.519 0.119 6 0 "[ . 1 . 2]" 1
650 1 35 LYS HA 1 35 LYS HG2 . . 3.960 3.023 2.411 4.080 0.120 6 0 "[ . 1 . 2]" 1
651 1 35 LYS HA 1 35 LYS QG . . 3.360 2.694 2.325 3.352 . 0 0 "[ . 1 . 2]" 1
652 1 35 LYS HA 1 35 LYS HG3 . . 3.960 3.305 2.500 3.844 . 0 0 "[ . 1 . 2]" 1
653 1 35 LYS HA 1 36 PHE HA . . 5.410 4.591 4.454 4.662 . 0 0 "[ . 1 . 2]" 1
654 1 35 LYS HA 1 75 LEU MD2 . . 3.620 2.943 2.436 3.289 . 0 0 "[ . 1 . 2]" 1
655 1 35 LYS HA 1 75 LEU HG . . 4.810 4.661 3.749 4.873 0.063 5 0 "[ . 1 . 2]" 1
656 1 35 LYS QB 1 36 PHE H . . 3.780 3.302 3.085 3.619 . 0 0 "[ . 1 . 2]" 1
657 1 35 LYS QB 1 36 PHE HA . . 4.860 4.536 4.381 4.896 0.036 17 0 "[ . 1 . 2]" 1
658 1 35 LYS QE 1 35 LYS HG2 . . 3.750 2.719 2.300 3.564 . 0 0 "[ . 1 . 2]" 1
659 1 35 LYS QE 1 35 LYS QG . . 3.260 2.325 2.032 2.913 . 0 0 "[ . 1 . 2]" 1
660 1 35 LYS QE 1 35 LYS HG3 . . 3.750 2.620 2.095 3.550 . 0 0 "[ . 1 . 2]" 1
661 1 35 LYS HG2 1 36 PHE H . . 5.750 4.947 2.395 5.759 0.009 13 0 "[ . 1 . 2]" 1
662 1 35 LYS HG3 1 36 PHE H . . 5.750 4.988 3.205 5.738 . 0 0 "[ . 1 . 2]" 1
663 1 36 PHE H 1 36 PHE HB2 . . 3.570 2.763 2.667 2.849 . 0 0 "[ . 1 . 2]" 1
664 1 36 PHE H 1 36 PHE HB3 . . 3.910 3.863 3.795 3.915 0.005 11 0 "[ . 1 . 2]" 1
665 1 36 PHE H 1 75 LEU MD2 . . 5.030 3.693 3.123 4.036 . 0 0 "[ . 1 . 2]" 1
666 1 36 PHE HA 1 37 ALA H . . 3.230 2.580 2.518 2.657 . 0 0 "[ . 1 . 2]" 1
667 1 36 PHE HA 1 37 ALA HA . . 4.530 4.348 4.303 4.377 . 0 0 "[ . 1 . 2]" 1
668 1 36 PHE HA 1 37 ALA MB . . 4.510 4.047 4.011 4.113 . 0 0 "[ . 1 . 2]" 1
669 1 36 PHE HA 1 75 LEU MD1 . . 4.380 2.906 2.481 3.218 . 0 0 "[ . 1 . 2]" 1
670 1 36 PHE HA 1 75 LEU MD2 . . 4.390 3.037 2.562 3.362 . 0 0 "[ . 1 . 2]" 1
671 1 36 PHE HB2 1 37 ALA H . . 3.870 3.432 3.300 3.548 . 0 0 "[ . 1 . 2]" 1
672 1 36 PHE HB3 1 37 ALA H . . 3.480 2.318 2.219 2.434 . 0 0 "[ . 1 . 2]" 1
673 1 36 PHE HB3 1 37 ALA MB . . 4.950 4.018 3.891 4.117 . 0 0 "[ . 1 . 2]" 1
674 1 37 ALA H 1 37 ALA MB . . 3.150 2.185 2.166 2.201 . 0 0 "[ . 1 . 2]" 1
675 1 37 ALA H 1 38 HIS H . . 4.700 4.643 4.631 4.666 . 0 0 "[ . 1 . 2]" 1
676 1 37 ALA H 1 50 VAL MG2 . . 4.290 3.913 3.899 3.931 . 0 0 "[ . 1 . 2]" 1
677 1 37 ALA H 1 75 LEU MD1 . . 4.620 3.383 3.175 3.580 . 0 0 "[ . 1 . 2]" 1
678 1 37 ALA HA 1 38 HIS H . . 3.160 2.245 2.222 2.271 . 0 0 "[ . 1 . 2]" 1
679 1 37 ALA HA 1 75 LEU MD1 . . 3.210 2.751 2.268 2.906 . 0 0 "[ . 1 . 2]" 1
680 1 37 ALA HA 1 75 LEU MD2 . . 5.750 4.895 4.111 5.252 . 0 0 "[ . 1 . 2]" 1
681 1 37 ALA MB 1 38 HIS H . . 3.680 2.718 2.637 2.811 . 0 0 "[ . 1 . 2]" 1
682 1 37 ALA MB 1 38 HIS HA . . 4.330 4.191 4.125 4.280 . 0 0 "[ . 1 . 2]" 1
683 1 37 ALA MB 1 39 PRO HD2 . . 4.560 4.458 4.356 4.596 0.036 20 0 "[ . 1 . 2]" 1
684 1 37 ALA MB 1 39 PRO HD3 . . 3.690 3.251 3.158 3.375 . 0 0 "[ . 1 . 2]" 1
685 1 37 ALA MB 1 39 PRO HG2 . . 5.750 5.790 5.706 5.916 0.166 1 0 "[ . 1 . 2]" 1
686 1 37 ALA MB 1 39 PRO HG3 . . 5.750 4.953 4.850 5.095 . 0 0 "[ . 1 . 2]" 1
687 1 37 ALA MB 1 72 PRO HG3 . . 5.150 4.823 4.717 4.877 . 0 0 "[ . 1 . 2]" 1
688 1 38 HIS H 1 38 HIS HB2 . . 4.000 2.573 2.482 2.666 . 0 0 "[ . 1 . 2]" 1
689 1 38 HIS H 1 69 LEU QD . . 4.370 2.702 2.573 2.890 . 0 0 "[ . 1 . 2]" 1
690 1 38 HIS H 1 75 LEU MD1 . . 5.060 4.378 3.790 4.580 . 0 0 "[ . 1 . 2]" 1
691 1 38 HIS HA 1 39 PRO HD2 . . 3.300 2.079 2.056 2.106 . 0 0 "[ . 1 . 2]" 1
692 1 38 HIS HA 1 39 PRO HD3 . . 3.360 2.886 2.792 2.949 . 0 0 "[ . 1 . 2]" 1
693 1 38 HIS HA 1 39 PRO HG2 . . 4.590 4.237 4.207 4.275 . 0 0 "[ . 1 . 2]" 1
694 1 38 HIS HA 1 39 PRO HG3 . . 4.630 4.670 4.630 4.709 0.079 13 0 "[ . 1 . 2]" 1
695 1 38 HIS HA 1 50 VAL MG2 . . 5.040 4.953 4.876 5.085 0.045 12 0 "[ . 1 . 2]" 1
696 1 38 HIS HB2 1 39 PRO HD3 . . 5.230 5.254 5.228 5.296 0.066 10 0 "[ . 1 . 2]" 1
697 1 38 HIS HB3 1 39 PRO HD2 . . 4.540 4.140 4.050 4.217 . 0 0 "[ . 1 . 2]" 1
698 1 38 HIS HB3 1 39 PRO HD3 . . 4.960 5.043 4.965 5.105 0.145 14 0 "[ . 1 . 2]" 1
699 1 39 PRO HA 1 40 SER H . . 3.040 2.258 2.202 2.426 . 0 0 "[ . 1 . 2]" 1
700 1 39 PRO HA 1 40 SER HA . . 4.980 4.480 4.422 4.577 . 0 0 "[ . 1 . 2]" 1
701 1 39 PRO HA 1 43 CYS HB2 . . 3.680 3.056 2.803 3.442 . 0 0 "[ . 1 . 2]" 1
702 1 39 PRO HA 1 43 CYS HB3 . . 4.620 3.505 3.296 3.772 . 0 0 "[ . 1 . 2]" 1
703 1 39 PRO HA 1 50 VAL MG2 . . 4.790 4.372 4.256 4.458 . 0 0 "[ . 1 . 2]" 1
704 1 39 PRO HA 1 69 LEU QD . . 2.650 2.142 2.048 2.207 . 0 0 "[ . 1 . 2]" 1
705 1 39 PRO HA 1 69 LEU HG . . 4.350 4.243 4.137 4.338 . 0 0 "[ . 1 . 2]" 1
706 1 39 PRO HB2 1 40 SER H . . 4.020 3.028 2.462 3.297 . 0 0 "[ . 1 . 2]" 1
707 1 39 PRO HB2 1 43 CYS H . . 4.960 4.319 4.178 4.513 . 0 0 "[ . 1 . 2]" 1
708 1 39 PRO HB2 1 43 CYS HB2 . . 3.360 2.306 2.280 2.338 . 0 0 "[ . 1 . 2]" 1
709 1 39 PRO HB2 1 43 CYS HB3 . . 3.580 3.428 3.342 3.562 . 0 0 "[ . 1 . 2]" 1
710 1 39 PRO HB2 1 45 VAL QG . . 3.780 3.000 2.727 3.378 . 0 0 "[ . 1 . 2]" 1
711 1 39 PRO HB2 1 50 VAL MG1 . . 3.790 3.473 3.388 3.663 . 0 0 "[ . 1 . 2]" 1
712 1 39 PRO HB2 1 69 LEU QD . . 4.070 3.548 3.421 3.646 . 0 0 "[ . 1 . 2]" 1
713 1 39 PRO HB3 1 40 SER H . . 4.170 3.554 3.300 3.765 . 0 0 "[ . 1 . 2]" 1
714 1 39 PRO HB3 1 43 CYS HB2 . . 3.630 2.663 2.593 2.796 . 0 0 "[ . 1 . 2]" 1
715 1 39 PRO HB3 1 43 CYS HB3 . . 3.810 2.782 2.659 3.000 . 0 0 "[ . 1 . 2]" 1
716 1 39 PRO HB3 1 50 VAL MG1 . . 3.790 2.165 2.102 2.259 . 0 0 "[ . 1 . 2]" 1
717 1 39 PRO HB3 1 69 LEU QD . . 3.460 2.240 2.125 2.348 . 0 0 "[ . 1 . 2]" 1
718 1 39 PRO HD2 1 50 VAL MG2 . . 4.670 4.421 4.321 4.635 . 0 0 "[ . 1 . 2]" 1
719 1 39 PRO HD2 1 69 LEU QD . . 3.930 4.139 3.954 4.235 0.305 9 0 "[ . 1 . 2]" 1
720 1 39 PRO HD3 1 50 VAL HB . . 5.750 4.724 4.634 4.853 . 0 0 "[ . 1 . 2]" 1
721 1 39 PRO HD3 1 50 VAL MG2 . . 3.470 2.882 2.777 3.109 . 0 0 "[ . 1 . 2]" 1
722 1 39 PRO HD3 1 69 LEU QD . . 4.270 3.104 2.912 3.218 . 0 0 "[ . 1 . 2]" 1
723 1 39 PRO HG2 1 43 CYS HB2 . . 4.960 4.640 4.596 4.699 . 0 0 "[ . 1 . 2]" 1
724 1 39 PRO HG2 1 45 VAL QG . . 3.270 3.223 2.954 3.533 0.263 1 0 "[ . 1 . 2]" 1
725 1 39 PRO HG2 1 50 VAL MG1 . . 3.440 3.767 3.669 3.956 0.516 1 1 "[+ . 1 . 2]" 1
726 1 39 PRO HG3 1 43 CYS HB2 . . 4.630 4.654 4.600 4.684 0.054 8 0 "[ . 1 . 2]" 1
727 1 39 PRO HG3 1 43 CYS HB3 . . 5.750 4.998 4.871 5.142 . 0 0 "[ . 1 . 2]" 1
728 1 39 PRO HG3 1 45 VAL QG . . 3.170 2.395 2.221 2.609 . 0 0 "[ . 1 . 2]" 1
729 1 39 PRO HG3 1 50 VAL MG1 . . 3.370 2.350 2.253 2.545 . 0 0 "[ . 1 . 2]" 1
730 1 39 PRO HG3 1 50 VAL MG2 . . 3.430 3.893 3.797 4.074 0.644 8 6 "[* * .- +*1 * . 2]" 1
731 1 40 SER H 1 40 SER HB2 . . 3.910 3.692 3.590 3.891 . 0 0 "[ . 1 . 2]" 1
732 1 40 SER H 1 40 SER HB3 . . 3.740 2.726 2.542 3.189 . 0 0 "[ . 1 . 2]" 1
733 1 40 SER H 1 43 CYS HB2 . . 4.540 2.314 2.121 2.815 . 0 0 "[ . 1 . 2]" 1
734 1 40 SER H 1 43 CYS HB3 . . 4.660 3.540 3.376 3.881 . 0 0 "[ . 1 . 2]" 1
735 1 40 SER H 1 69 LEU QD . . 3.940 3.291 3.063 3.443 . 0 0 "[ . 1 . 2]" 1
736 1 40 SER HA 1 40 SER HB2 . . 2.870 2.391 2.365 2.499 . 0 0 "[ . 1 . 2]" 1
737 1 40 SER HA 1 40 SER HB3 . . 2.910 2.535 2.384 2.568 . 0 0 "[ . 1 . 2]" 1
738 1 40 SER HA 1 41 LYS HA . . 4.790 4.466 4.320 4.791 0.001 1 0 "[ . 1 . 2]" 1
739 1 40 SER HA 1 41 LYS QB . . 5.750 4.690 4.461 5.002 . 0 0 "[ . 1 . 2]" 1
740 1 40 SER HA 1 41 LYS QG . . 4.890 4.077 3.908 4.822 . 0 0 "[ . 1 . 2]" 1
741 1 40 SER HB2 1 41 LYS QB . . 3.660 3.703 3.681 3.716 0.056 19 0 "[ . 1 . 2]" 1
742 1 40 SER HB2 1 41 LYS QG . . 5.010 3.870 3.105 4.095 . 0 0 "[ . 1 . 2]" 1
743 1 40 SER HB2 1 43 CYS HB2 . . 5.750 5.433 5.223 5.771 0.021 3 0 "[ . 1 . 2]" 1
744 1 40 SER HB3 1 41 LYS QB . . 5.330 5.293 5.190 5.326 . 0 0 "[ . 1 . 2]" 1
745 1 40 SER HB3 1 43 CYS HB2 . . 5.750 4.833 4.542 5.393 . 0 0 "[ . 1 . 2]" 1
746 1 40 SER HB3 1 69 LEU QD . . 5.750 4.503 4.283 4.841 . 0 0 "[ . 1 . 2]" 1
747 1 41 LYS H 1 41 LYS QG . . 5.090 2.385 2.153 3.368 . 0 0 "[ . 1 . 2]" 1
748 1 41 LYS HA 1 41 LYS QB . . 2.720 2.401 2.114 2.440 . 0 0 "[ . 1 . 2]" 1
749 1 41 LYS HA 1 41 LYS QD . . 4.200 3.599 2.179 4.248 0.048 3 0 "[ . 1 . 2]" 1
750 1 41 LYS HA 1 41 LYS QE . . 5.160 4.378 2.698 5.280 0.120 19 0 "[ . 1 . 2]" 1
751 1 41 LYS HA 1 41 LYS QG . . 3.380 2.607 2.326 3.328 . 0 0 "[ . 1 . 2]" 1
752 1 41 LYS QB 1 42 SER H . . 4.710 3.049 2.337 3.570 . 0 0 "[ . 1 . 2]" 1
753 1 41 LYS QB 1 42 SER HA . . 4.860 4.244 3.976 4.659 . 0 0 "[ . 1 . 2]" 1
754 1 41 LYS QB 1 42 SER QB . . 5.000 4.302 3.882 4.467 . 0 0 "[ . 1 . 2]" 1
755 1 41 LYS QE 1 41 LYS QG . . 3.340 2.307 1.960 2.858 . 0 0 "[ . 1 . 2]" 1
756 1 42 SER H 1 43 CYS H . . 4.020 2.269 2.185 2.621 . 0 0 "[ . 1 . 2]" 1
757 1 42 SER HA 1 67 LYS QD . . 5.750 5.421 5.141 5.750 . 0 0 "[ . 1 . 2]" 1
758 1 42 SER HA 1 67 LYS QG . . 5.750 4.730 4.463 4.928 . 0 0 "[ . 1 . 2]" 1
759 1 42 SER QB 1 43 CYS H . . 4.380 3.314 2.954 3.807 . 0 0 "[ . 1 . 2]" 1
760 1 42 SER QB 1 65 ASN HA . . 5.500 3.617 2.968 4.924 . 0 0 "[ . 1 . 2]" 1
761 1 42 SER QB 1 65 ASN HB2 . . 4.710 4.575 3.772 5.195 0.485 13 0 "[ . 1 . 2]" 1
762 1 42 SER QB 1 65 ASN HB3 . . 4.630 3.860 3.065 5.141 0.511 2 2 "[ + . 1 . - 2]" 1
763 1 42 SER QB 1 67 LYS HA . . 4.010 3.268 3.023 3.513 . 0 0 "[ . 1 . 2]" 1
764 1 42 SER QB 1 67 LYS QD . . 5.120 4.568 4.456 4.591 . 0 0 "[ . 1 . 2]" 1
765 1 42 SER QB 1 67 LYS QG . . 5.750 3.233 3.127 3.379 . 0 0 "[ . 1 . 2]" 1
766 1 43 CYS H 1 43 CYS HB2 . . 3.240 2.465 2.403 2.563 . 0 0 "[ . 1 . 2]" 1
767 1 43 CYS H 1 43 CYS HB3 . . 3.700 3.580 3.566 3.597 . 0 0 "[ . 1 . 2]" 1
768 1 43 CYS H 1 44 GLN H . . 4.640 4.631 4.571 4.659 0.019 16 0 "[ . 1 . 2]" 1
769 1 43 CYS H 1 67 LYS HB3 . . 5.750 5.765 5.692 5.791 0.041 7 0 "[ . 1 . 2]" 1
770 1 43 CYS H 1 69 LEU QD . . 5.130 4.591 4.577 4.616 . 0 0 "[ . 1 . 2]" 1
771 1 43 CYS HA 1 44 GLN H . . 2.920 2.181 2.124 2.310 . 0 0 "[ . 1 . 2]" 1
772 1 43 CYS HA 1 67 LYS HA . . 3.090 2.296 2.167 2.473 . 0 0 "[ . 1 . 2]" 1
773 1 43 CYS HA 1 67 LYS HB2 . . 4.650 4.568 4.465 4.679 0.029 20 0 "[ . 1 . 2]" 1
774 1 43 CYS HA 1 67 LYS HB3 . . 4.350 3.559 3.323 3.745 . 0 0 "[ . 1 . 2]" 1
775 1 43 CYS HA 1 67 LYS QG . . 5.750 4.512 4.264 4.828 . 0 0 "[ . 1 . 2]" 1
776 1 43 CYS HA 1 68 TYR H . . 4.700 4.072 3.756 4.309 . 0 0 "[ . 1 . 2]" 1
777 1 43 CYS HA 1 68 TYR HA . . 4.740 4.089 3.889 4.340 . 0 0 "[ . 1 . 2]" 1
778 1 43 CYS HA 1 69 LEU QD . . 4.560 3.832 3.662 4.071 . 0 0 "[ . 1 . 2]" 1
779 1 43 CYS HB2 1 44 GLN H . . 4.380 4.138 3.760 4.293 . 0 0 "[ . 1 . 2]" 1
780 1 43 CYS HB2 1 50 VAL MG1 . . 4.470 4.066 3.953 4.106 . 0 0 "[ . 1 . 2]" 1
781 1 43 CYS HB2 1 67 LYS HA . . 5.430 5.198 5.048 5.358 . 0 0 "[ . 1 . 2]" 1
782 1 43 CYS HB2 1 69 LEU HA . . 5.750 5.755 5.576 5.799 0.049 6 0 "[ . 1 . 2]" 1
783 1 43 CYS HB2 1 69 LEU QD . . 3.580 3.121 3.071 3.172 . 0 0 "[ . 1 . 2]" 1
784 1 43 CYS HB3 1 44 GLN H . . 3.890 3.089 2.520 3.362 . 0 0 "[ . 1 . 2]" 1
785 1 43 CYS HB3 1 50 VAL HA . . 5.750 5.506 5.369 5.670 . 0 0 "[ . 1 . 2]" 1
786 1 43 CYS HB3 1 50 VAL HB . . 5.130 4.011 3.883 4.182 . 0 0 "[ . 1 . 2]" 1
787 1 43 CYS HB3 1 50 VAL MG1 . . 3.810 3.444 3.342 3.497 . 0 0 "[ . 1 . 2]" 1
788 1 43 CYS HB3 1 50 VAL MG2 . . 4.780 4.830 4.696 5.007 0.227 10 0 "[ . 1 . 2]" 1
789 1 43 CYS HB3 1 67 LYS HA . . 5.100 4.707 4.513 4.903 . 0 0 "[ . 1 . 2]" 1
790 1 43 CYS HB3 1 68 TYR HA . . 5.270 4.195 3.899 4.449 . 0 0 "[ . 1 . 2]" 1
791 1 43 CYS HB3 1 69 LEU HA . . 5.360 4.790 4.635 4.994 . 0 0 "[ . 1 . 2]" 1
792 1 43 CYS HB3 1 69 LEU QD . . 3.480 2.267 2.175 2.475 . 0 0 "[ . 1 . 2]" 1
793 1 44 GLN H 1 44 GLN HB2 . . 3.310 2.442 2.253 2.655 . 0 0 "[ . 1 . 2]" 1
794 1 44 GLN H 1 44 GLN QG . . 4.090 3.445 2.557 4.056 . 0 0 "[ . 1 . 2]" 1
795 1 44 GLN H 1 45 VAL QG . . 5.250 4.432 4.148 4.597 . 0 0 "[ . 1 . 2]" 1
796 1 44 GLN H 1 67 LYS HA . . 4.260 3.393 3.005 3.877 . 0 0 "[ . 1 . 2]" 1
797 1 44 GLN H 1 67 LYS HB2 . . 4.790 4.174 3.810 4.796 0.006 10 0 "[ . 1 . 2]" 1
798 1 44 GLN H 1 67 LYS HB3 . . 4.230 3.089 2.730 3.682 . 0 0 "[ . 1 . 2]" 1
799 1 44 GLN H 1 69 LEU QD . . 5.440 4.168 3.945 4.357 . 0 0 "[ . 1 . 2]" 1
800 1 44 GLN HA 1 44 GLN HB3 . . 2.840 2.837 2.533 3.059 0.219 13 0 "[ . 1 . 2]" 1
801 1 44 GLN HA 1 44 GLN QG . . 3.230 2.392 2.226 3.049 . 0 0 "[ . 1 . 2]" 1
802 1 44 GLN HA 1 45 VAL H . . 2.800 2.167 2.127 2.203 . 0 0 "[ . 1 . 2]" 1
803 1 44 GLN HA 1 45 VAL QG . . 4.830 3.379 3.153 3.534 . 0 0 "[ . 1 . 2]" 1
804 1 44 GLN HA 1 50 VAL MG1 . . 5.360 4.822 4.631 4.870 . 0 0 "[ . 1 . 2]" 1
805 1 44 GLN HA 1 67 LYS HB3 . . 5.480 4.635 4.224 5.295 . 0 0 "[ . 1 . 2]" 1
806 1 44 GLN HB2 1 45 VAL H . . 4.220 4.259 4.168 4.411 0.191 18 0 "[ . 1 . 2]" 1
807 1 44 GLN HB2 1 45 VAL HA . . 5.460 5.589 4.992 6.035 0.575 17 9 "[ ***.* 1** . +-*2]" 1
808 1 44 GLN HB2 1 67 LYS HB3 . . 4.360 3.055 2.382 4.061 . 0 0 "[ . 1 . 2]" 1
809 1 44 GLN HB2 1 67 LYS QE . . 5.290 4.360 3.229 5.056 . 0 0 "[ . 1 . 2]" 1
810 1 44 GLN HB2 1 68 TYR HA . . 5.750 5.255 4.218 6.062 0.312 1 0 "[ . 1 . 2]" 1
811 1 44 GLN HB3 1 67 LYS HB3 . . 5.440 4.195 2.976 5.118 . 0 0 "[ . 1 . 2]" 1
812 1 44 GLN HB3 1 67 LYS QE . . 5.750 5.199 4.056 6.044 0.294 7 0 "[ . 1 . 2]" 1
813 1 44 GLN QG 1 45 VAL H . . 3.870 3.269 2.697 3.878 0.008 20 0 "[ . 1 . 2]" 1
814 1 44 GLN QG 1 45 VAL HA . . 5.750 4.935 3.897 5.807 0.057 9 0 "[ . 1 . 2]" 1
815 1 44 GLN QG 1 67 LYS HB2 . . 5.400 4.705 3.534 5.436 0.036 1 0 "[ . 1 . 2]" 1
816 1 44 GLN QG 1 67 LYS HB3 . . 4.840 3.578 2.218 4.540 . 0 0 "[ . 1 . 2]" 1
817 1 44 GLN QG 1 67 LYS QD . . 4.750 3.995 2.955 4.770 0.020 2 0 "[ . 1 . 2]" 1
818 1 45 VAL H 1 45 VAL HB . . 3.680 2.960 2.647 3.781 0.101 13 0 "[ . 1 . 2]" 1
819 1 45 VAL H 1 45 VAL QG . . 3.210 2.567 2.311 2.684 . 0 0 "[ . 1 . 2]" 1
820 1 45 VAL HA 1 45 VAL QG . . 2.920 2.287 2.167 2.664 . 0 0 "[ . 1 . 2]" 1
821 1 45 VAL HA 1 46 GLU H . . 2.800 2.205 2.161 2.254 . 0 0 "[ . 1 . 2]" 1
822 1 45 VAL HA 1 46 GLU QG . . 4.930 3.874 3.391 4.068 . 0 0 "[ . 1 . 2]" 1
823 1 45 VAL HA 1 50 VAL MG1 . . 4.140 2.449 2.283 2.805 . 0 0 "[ . 1 . 2]" 1
824 1 45 VAL HB 1 46 GLU HA . . 5.210 4.720 4.519 5.272 0.062 13 0 "[ . 1 . 2]" 1
825 1 45 VAL HB 1 50 VAL HA . . 5.750 5.339 3.326 5.841 0.091 19 0 "[ . 1 . 2]" 1
826 1 45 VAL QG 1 46 GLU H . . 3.000 2.499 2.315 2.570 . 0 0 "[ . 1 . 2]" 1
827 1 45 VAL QG 1 46 GLU HA . . 5.750 3.556 3.213 3.667 . 0 0 "[ . 1 . 2]" 1
828 1 45 VAL QG 1 46 GLU QG . . 4.830 4.246 3.979 4.340 . 0 0 "[ . 1 . 2]" 1
829 1 45 VAL QG 1 47 ASN HA . . 5.750 5.074 4.884 5.144 . 0 0 "[ . 1 . 2]" 1
830 1 45 VAL QG 1 48 GLY H . . 3.830 3.034 2.790 3.224 . 0 0 "[ . 1 . 2]" 1
831 1 45 VAL QG 1 49 ARG H . . 3.900 3.155 2.941 3.399 . 0 0 "[ . 1 . 2]" 1
832 1 45 VAL QG 1 49 ARG HA . . 5.000 4.209 3.996 4.493 . 0 0 "[ . 1 . 2]" 1
833 1 45 VAL QG 1 49 ARG QB . . 5.710 4.629 4.477 4.746 . 0 0 "[ . 1 . 2]" 1
834 1 45 VAL QG 1 50 VAL HA . . 5.750 3.669 3.551 4.001 . 0 0 "[ . 1 . 2]" 1
835 1 45 VAL QG 1 50 VAL MG1 . . 2.810 1.960 1.861 2.252 . 0 0 "[ . 1 . 2]" 1
836 1 46 GLU H 1 46 GLU QB . . 3.370 2.774 2.702 3.295 . 0 0 "[ . 1 . 2]" 1
837 1 46 GLU H 1 46 GLU QG . . 4.270 3.254 2.496 3.479 . 0 0 "[ . 1 . 2]" 1
838 1 46 GLU H 1 50 VAL HA . . 4.380 3.650 3.482 3.871 . 0 0 "[ . 1 . 2]" 1
839 1 46 GLU QB 1 47 ASN QB . . 5.340 3.320 3.203 3.583 . 0 0 "[ . 1 . 2]" 1
840 1 46 GLU QB 1 48 GLY H . . 4.860 4.864 4.743 4.890 0.030 12 0 "[ . 1 . 2]" 1
841 1 46 GLU QB 1 49 ARG H . . 4.310 4.256 4.086 4.416 0.106 5 0 "[ . 1 . 2]" 1
842 1 46 GLU HB2 1 47 ASN QB . . 5.750 4.239 3.654 4.394 . 0 0 "[ . 1 . 2]" 1
843 1 46 GLU HB3 1 47 ASN QB . . 5.750 3.531 3.327 5.168 . 0 0 "[ . 1 . 2]" 1
844 1 46 GLU QG 1 47 ASN QB . . 5.750 4.991 4.560 5.142 . 0 0 "[ . 1 . 2]" 1
845 1 47 ASN HA 1 48 GLY HA2 . . 5.750 4.716 4.656 4.803 . 0 0 "[ . 1 . 2]" 1
846 1 47 ASN HA 1 49 ARG H . . 5.750 4.594 4.550 4.675 . 0 0 "[ . 1 . 2]" 1
847 1 47 ASN QB 1 48 GLY H . . 5.750 3.967 3.894 3.991 . 0 0 "[ . 1 . 2]" 1
848 1 47 ASN QB 1 48 GLY HA2 . . 5.750 5.527 5.298 5.569 . 0 0 "[ . 1 . 2]" 1
849 1 47 ASN QB 1 48 GLY HA3 . . 5.750 4.860 4.528 4.910 . 0 0 "[ . 1 . 2]" 1
850 1 47 ASN QB 1 49 ARG H . . 5.750 4.151 4.058 4.276 . 0 0 "[ . 1 . 2]" 1
851 1 47 ASN QB 1 49 ARG QB . . 5.750 4.367 4.072 4.963 . 0 0 "[ . 1 . 2]" 1
852 1 47 ASN QB 1 49 ARG HG3 . . 5.750 4.023 3.497 4.642 . 0 0 "[ . 1 . 2]" 1
853 1 48 GLY H 1 49 ARG H . . 3.340 2.500 2.316 2.574 . 0 0 "[ . 1 . 2]" 1
854 1 48 GLY HA2 1 49 ARG HA . . 5.140 4.546 4.518 4.582 . 0 0 "[ . 1 . 2]" 1
855 1 48 GLY HA2 1 49 ARG HG3 . . 4.730 4.801 4.724 4.902 0.172 18 0 "[ . 1 . 2]" 1
856 1 48 GLY HA3 1 49 ARG HA . . 4.930 4.726 4.681 4.757 . 0 0 "[ . 1 . 2]" 1
857 1 48 GLY HA3 1 49 ARG HG2 . . 4.700 4.394 4.285 4.493 . 0 0 "[ . 1 . 2]" 1
858 1 49 ARG H 1 49 ARG QB . . 3.410 2.813 2.742 2.908 . 0 0 "[ . 1 . 2]" 1
859 1 49 ARG H 1 49 ARG HD2 . . 5.460 5.001 4.885 5.419 . 0 0 "[ . 1 . 2]" 1
860 1 49 ARG H 1 49 ARG HG2 . . 4.080 3.861 3.779 3.918 . 0 0 "[ . 1 . 2]" 1
861 1 49 ARG H 1 49 ARG HG3 . . 3.330 3.094 2.997 3.138 . 0 0 "[ . 1 . 2]" 1
862 1 49 ARG H 1 50 VAL H . . 4.510 4.411 4.367 4.434 . 0 0 "[ . 1 . 2]" 1
863 1 49 ARG HA 1 49 ARG HD2 . . 4.430 4.711 4.060 4.798 0.368 8 0 "[ . 1 . 2]" 1
864 1 49 ARG HA 1 49 ARG HD3 . . 4.580 4.233 4.059 4.753 0.173 18 0 "[ . 1 . 2]" 1
865 1 49 ARG HA 1 49 ARG HG2 . . 3.480 2.595 2.545 2.641 . 0 0 "[ . 1 . 2]" 1
866 1 49 ARG HA 1 49 ARG HG3 . . 3.560 3.391 3.351 3.434 . 0 0 "[ . 1 . 2]" 1
867 1 49 ARG HA 1 50 VAL H . . 3.150 2.297 2.259 2.355 . 0 0 "[ . 1 . 2]" 1
868 1 49 ARG HA 1 50 VAL HA . . 4.770 4.531 4.507 4.564 . 0 0 "[ . 1 . 2]" 1
869 1 49 ARG HA 1 50 VAL MG1 . . 4.220 3.731 3.662 3.834 . 0 0 "[ . 1 . 2]" 1
870 1 49 ARG HA 1 50 VAL MG2 . . 4.990 3.231 3.141 3.305 . 0 0 "[ . 1 . 2]" 1
871 1 49 ARG QB 1 49 ARG HD3 . . 3.470 2.380 2.160 3.319 . 0 0 "[ . 1 . 2]" 1
872 1 49 ARG QB 1 50 VAL H . . 3.510 2.317 2.122 2.405 . 0 0 "[ . 1 . 2]" 1
873 1 49 ARG QB 1 50 VAL HA . . 4.840 4.146 4.042 4.212 . 0 0 "[ . 1 . 2]" 1
874 1 49 ARG QB 1 50 VAL MG2 . . 5.750 4.017 3.882 4.079 . 0 0 "[ . 1 . 2]" 1
875 1 50 VAL H 1 50 VAL MG1 . . 3.620 3.266 3.208 3.353 . 0 0 "[ . 1 . 2]" 1
876 1 50 VAL H 1 50 VAL MG2 . . 3.220 2.284 2.236 2.321 . 0 0 "[ . 1 . 2]" 1
877 1 50 VAL H 1 51 ILE H . . 4.770 4.399 4.344 4.452 . 0 0 "[ . 1 . 2]" 1
878 1 50 VAL HA 1 50 VAL HB . . 3.020 2.532 2.505 2.561 . 0 0 "[ . 1 . 2]" 1
879 1 50 VAL HA 1 50 VAL MG1 . . 3.150 2.312 2.266 2.378 . 0 0 "[ . 1 . 2]" 1
880 1 50 VAL HA 1 51 ILE H . . 3.020 2.317 2.180 2.644 . 0 0 "[ . 1 . 2]" 1
881 1 50 VAL HA 1 51 ILE HA . . 5.180 4.455 4.405 4.580 . 0 0 "[ . 1 . 2]" 1
882 1 50 VAL HA 1 51 ILE HB . . 5.750 4.690 4.508 4.806 . 0 0 "[ . 1 . 2]" 1
883 1 50 VAL HA 1 51 ILE HG12 . . 4.880 4.781 4.367 5.168 0.288 19 0 "[ . 1 . 2]" 1
884 1 50 VAL HA 1 51 ILE HG13 . . 4.960 3.623 3.465 3.813 . 0 0 "[ . 1 . 2]" 1
885 1 50 VAL HB 1 52 ALA HA . . 5.750 5.292 5.143 5.485 . 0 0 "[ . 1 . 2]" 1
886 1 50 VAL HB 1 69 LEU H . . 4.960 4.129 3.957 4.286 . 0 0 "[ . 1 . 2]" 1
887 1 50 VAL HB 1 69 LEU HB2 . . 4.970 3.790 3.497 3.982 . 0 0 "[ . 1 . 2]" 1
888 1 50 VAL HB 1 69 LEU HB3 . . 5.200 5.043 4.757 5.216 0.016 14 0 "[ . 1 . 2]" 1
889 1 50 VAL HB 1 69 LEU QD . . 2.890 2.076 2.046 2.102 . 0 0 "[ . 1 . 2]" 1
890 1 50 VAL HB 1 69 LEU HG . . 4.300 3.098 2.787 3.362 . 0 0 "[ . 1 . 2]" 1
891 1 50 VAL MG1 1 69 LEU QD . . 3.320 2.450 2.301 2.540 . 0 0 "[ . 1 . 2]" 1
892 1 50 VAL MG2 1 51 ILE HA . . 5.710 4.462 4.084 4.653 . 0 0 "[ . 1 . 2]" 1
893 1 51 ILE H 1 51 ILE HB . . 3.140 2.520 2.379 2.722 . 0 0 "[ . 1 . 2]" 1
894 1 51 ILE H 1 51 ILE HG12 . . 3.310 3.606 3.305 4.013 0.703 8 2 "[ . + 1 - . 2]" 1
895 1 51 ILE H 1 51 ILE HG13 . . 3.650 2.509 2.350 2.985 . 0 0 "[ . 1 . 2]" 1
896 1 51 ILE H 1 68 TYR QD . . 4.530 3.961 3.748 4.205 . 0 0 "[ . 1 . 2]" 1
897 1 51 ILE H 1 68 TYR QE . . 5.750 5.085 4.868 5.360 . 0 0 "[ . 1 . 2]" 1
898 1 51 ILE HA 1 51 ILE MD . . 4.660 3.795 3.754 3.847 . 0 0 "[ . 1 . 2]" 1
899 1 51 ILE HA 1 51 ILE HG12 . . 3.610 2.405 2.349 2.483 . 0 0 "[ . 1 . 2]" 1
900 1 51 ILE HA 1 51 ILE HG13 . . 3.970 3.083 2.924 3.262 . 0 0 "[ . 1 . 2]" 1
901 1 51 ILE HA 1 52 ALA HA . . 4.780 4.417 4.387 4.435 . 0 0 "[ . 1 . 2]" 1
902 1 51 ILE HA 1 52 ALA MB . . 3.990 3.972 3.949 3.993 0.003 19 0 "[ . 1 . 2]" 1
903 1 51 ILE HA 1 68 TYR QD . . 4.880 4.415 4.354 4.466 . 0 0 "[ . 1 . 2]" 1
904 1 51 ILE HA 1 68 TYR QE . . 5.750 5.669 5.502 5.762 0.012 6 0 "[ . 1 . 2]" 1
905 1 51 ILE HA 1 69 LEU HB2 . . 5.750 5.005 4.801 5.246 . 0 0 "[ . 1 . 2]" 1
906 1 51 ILE HB 1 52 ALA H . . 4.520 4.253 4.093 4.358 . 0 0 "[ . 1 . 2]" 1
907 1 51 ILE HB 1 52 ALA HA . . 5.750 5.330 5.202 5.419 . 0 0 "[ . 1 . 2]" 1
908 1 51 ILE HB 1 68 TYR HA . . 4.430 4.156 4.038 4.288 . 0 0 "[ . 1 . 2]" 1
909 1 51 ILE HB 1 68 TYR QD . . 3.300 2.170 2.131 2.204 . 0 0 "[ . 1 . 2]" 1
910 1 51 ILE HB 1 68 TYR QE . . 3.600 2.867 2.739 2.935 . 0 0 "[ . 1 . 2]" 1
911 1 51 ILE HB 1 69 LEU H . . 5.750 4.821 4.631 5.041 . 0 0 "[ . 1 . 2]" 1
912 1 51 ILE MD 1 68 TYR QD . . 4.290 3.921 3.797 4.049 . 0 0 "[ . 1 . 2]" 1
913 1 51 ILE MD 1 68 TYR QE . . 3.900 2.904 2.745 2.991 . 0 0 "[ . 1 . 2]" 1
914 1 51 ILE HG12 1 52 ALA H . . 4.910 4.326 4.259 4.453 . 0 0 "[ . 1 . 2]" 1
915 1 51 ILE HG12 1 68 TYR QD . . 4.970 5.010 4.946 5.061 0.091 20 0 "[ . 1 . 2]" 1
916 1 51 ILE HG12 1 68 TYR QE . . 5.750 5.181 4.998 5.266 . 0 0 "[ . 1 . 2]" 1
917 1 51 ILE HG13 1 51 ILE MG . . 3.250 3.244 3.234 3.254 0.004 6 0 "[ . 1 . 2]" 1
918 1 51 ILE HG13 1 68 TYR QD . . 4.710 4.568 4.543 4.603 . 0 0 "[ . 1 . 2]" 1
919 1 51 ILE HG13 1 68 TYR QE . . 4.930 4.619 4.444 4.721 . 0 0 "[ . 1 . 2]" 1
920 1 51 ILE MG 1 52 ALA H . . 3.440 2.697 2.422 2.856 . 0 0 "[ . 1 . 2]" 1
921 1 51 ILE MG 1 52 ALA HA . . 4.370 4.146 4.019 4.228 . 0 0 "[ . 1 . 2]" 1
922 1 51 ILE MG 1 53 CYS HA . . 4.590 4.314 4.007 4.486 . 0 0 "[ . 1 . 2]" 1
923 1 51 ILE MG 1 54 PHE H . . 4.590 4.149 3.862 4.320 . 0 0 "[ . 1 . 2]" 1
924 1 51 ILE MG 1 54 PHE QD . . 4.540 3.311 2.989 3.616 . 0 0 "[ . 1 . 2]" 1
925 1 51 ILE MG 1 54 PHE QE . . 5.750 3.828 3.405 4.259 . 0 0 "[ . 1 . 2]" 1
926 1 51 ILE MG 1 68 TYR HA . . 4.900 4.588 4.374 4.790 . 0 0 "[ . 1 . 2]" 1
927 1 51 ILE MG 1 68 TYR HB2 . . 5.300 4.978 4.718 5.228 . 0 0 "[ . 1 . 2]" 1
928 1 51 ILE MG 1 68 TYR HB3 . . 4.340 3.615 3.329 3.883 . 0 0 "[ . 1 . 2]" 1
929 1 51 ILE MG 1 68 TYR QD . . 3.320 2.392 2.300 2.455 . 0 0 "[ . 1 . 2]" 1
930 1 51 ILE MG 1 68 TYR QE . . 3.180 2.827 2.643 3.008 . 0 0 "[ . 1 . 2]" 1
931 1 52 ALA H 1 52 ALA MB . . 3.260 2.225 2.200 2.311 . 0 0 "[ . 1 . 2]" 1
932 1 52 ALA H 1 69 LEU HB2 . . 4.930 4.199 4.020 4.450 . 0 0 "[ . 1 . 2]" 1
933 1 52 ALA H 1 79 LEU QD . . 4.830 3.960 3.813 4.104 . 0 0 "[ . 1 . 2]" 1
934 1 52 ALA HA 1 53 CYS H . . 3.300 2.259 2.225 2.296 . 0 0 "[ . 1 . 2]" 1
935 1 52 ALA HA 1 53 CYS HA . . 4.990 4.321 4.294 4.385 . 0 0 "[ . 1 . 2]" 1
936 1 52 ALA HA 1 53 CYS HB2 . . 5.750 4.275 4.152 4.360 . 0 0 "[ . 1 . 2]" 1
937 1 52 ALA HA 1 68 TYR HA . . 5.130 4.371 4.031 4.591 . 0 0 "[ . 1 . 2]" 1
938 1 52 ALA HA 1 68 TYR HB2 . . 5.370 4.875 4.449 5.055 . 0 0 "[ . 1 . 2]" 1
939 1 52 ALA HA 1 68 TYR HB3 . . 4.790 3.486 3.101 3.695 . 0 0 "[ . 1 . 2]" 1
940 1 52 ALA HA 1 68 TYR QD . . 5.410 4.663 4.446 4.895 . 0 0 "[ . 1 . 2]" 1
941 1 52 ALA HA 1 69 LEU H . . 3.570 2.472 2.293 2.617 . 0 0 "[ . 1 . 2]" 1
942 1 52 ALA HA 1 69 LEU HA . . 4.310 4.231 4.198 4.298 . 0 0 "[ . 1 . 2]" 1
943 1 52 ALA HA 1 69 LEU HB2 . . 3.230 2.223 2.151 2.307 . 0 0 "[ . 1 . 2]" 1
944 1 52 ALA HA 1 69 LEU HB3 . . 3.720 3.279 3.035 3.546 . 0 0 "[ . 1 . 2]" 1
945 1 52 ALA HA 1 69 LEU QD . . 4.940 3.838 3.730 3.970 . 0 0 "[ . 1 . 2]" 1
946 1 52 ALA HA 1 69 LEU HG . . 4.790 4.526 4.413 4.632 . 0 0 "[ . 1 . 2]" 1
947 1 52 ALA HA 1 70 HIS HA . . 5.750 4.957 4.884 5.018 . 0 0 "[ . 1 . 2]" 1
948 1 52 ALA HA 1 71 PRO HD3 . . 5.750 4.273 4.064 4.750 . 0 0 "[ . 1 . 2]" 1
949 1 52 ALA HA 1 79 LEU QD . . 4.960 4.269 4.119 4.435 . 0 0 "[ . 1 . 2]" 1
950 1 52 ALA MB 1 53 CYS H . . 3.540 2.735 2.620 2.850 . 0 0 "[ . 1 . 2]" 1
951 1 52 ALA MB 1 53 CYS HA . . 4.870 4.498 4.461 4.535 . 0 0 "[ . 1 . 2]" 1
952 1 52 ALA MB 1 53 CYS HB2 . . 5.750 4.802 4.588 4.916 . 0 0 "[ . 1 . 2]" 1
953 1 52 ALA MB 1 53 CYS HB3 . . 5.190 4.593 4.460 4.696 . 0 0 "[ . 1 . 2]" 1
954 1 52 ALA MB 1 54 PHE HB3 . . 5.750 5.356 5.070 5.497 . 0 0 "[ . 1 . 2]" 1
955 1 52 ALA MB 1 54 PHE QD . . 5.750 5.387 5.211 5.494 . 0 0 "[ . 1 . 2]" 1
956 1 52 ALA MB 1 68 TYR HB3 . . 5.750 4.596 4.345 4.749 . 0 0 "[ . 1 . 2]" 1
957 1 52 ALA MB 1 69 LEU HA . . 5.750 5.195 4.963 5.314 . 0 0 "[ . 1 . 2]" 1
958 1 52 ALA MB 1 69 LEU HB2 . . 3.670 3.260 3.031 3.440 . 0 0 "[ . 1 . 2]" 1
959 1 52 ALA MB 1 70 HIS HA . . 5.400 4.571 4.269 4.701 . 0 0 "[ . 1 . 2]" 1
960 1 52 ALA MB 1 71 PRO HD2 . . 4.700 4.520 4.245 4.962 0.262 7 0 "[ . 1 . 2]" 1
961 1 52 ALA MB 1 71 PRO HD3 . . 3.730 3.083 2.841 3.374 . 0 0 "[ . 1 . 2]" 1
962 1 52 ALA MB 1 79 LEU QD . . 2.880 2.227 2.072 2.368 . 0 0 "[ . 1 . 2]" 1
963 1 52 ALA MB 1 79 LEU HG . . 5.000 4.446 4.271 4.636 . 0 0 "[ . 1 . 2]" 1
964 1 53 CYS H 1 53 CYS HB2 . . 3.670 2.394 2.271 2.460 . 0 0 "[ . 1 . 2]" 1
965 1 53 CYS H 1 53 CYS HB3 . . 3.490 2.586 2.483 2.778 . 0 0 "[ . 1 . 2]" 1
966 1 53 CYS H 1 54 PHE H . . 4.250 4.261 4.167 4.284 0.034 12 0 "[ . 1 . 2]" 1
967 1 53 CYS H 1 68 TYR HB2 . . 4.290 3.864 3.600 4.057 . 0 0 "[ . 1 . 2]" 1
968 1 53 CYS H 1 68 TYR QD . . 5.200 4.986 4.877 5.100 . 0 0 "[ . 1 . 2]" 1
969 1 53 CYS H 1 69 LEU H . . 4.260 3.406 3.280 3.516 . 0 0 "[ . 1 . 2]" 1
970 1 53 CYS H 1 69 LEU HB2 . . 4.380 3.907 3.842 3.967 . 0 0 "[ . 1 . 2]" 1
971 1 53 CYS H 1 69 LEU HB3 . . 4.790 4.330 4.149 4.450 . 0 0 "[ . 1 . 2]" 1
972 1 53 CYS H 1 69 LEU QD . . 5.360 4.735 4.686 4.778 . 0 0 "[ . 1 . 2]" 1
973 1 53 CYS H 1 70 HIS HA . . 4.690 3.327 3.214 3.431 . 0 0 "[ . 1 . 2]" 1
974 1 53 CYS H 1 71 PRO HD2 . . 4.720 4.484 4.313 4.748 0.028 19 0 "[ . 1 . 2]" 1
975 1 53 CYS HA 1 54 PHE H . . 3.320 2.147 2.101 2.284 . 0 0 "[ . 1 . 2]" 1
976 1 53 CYS HA 1 55 ASP H . . 5.750 3.534 3.464 3.726 . 0 0 "[ . 1 . 2]" 1
977 1 53 CYS HA 1 68 TYR HA . . 4.920 4.793 4.681 4.936 0.016 14 0 "[ . 1 . 2]" 1
978 1 53 CYS HA 1 68 TYR HB2 . . 3.530 2.561 2.333 2.721 . 0 0 "[ . 1 . 2]" 1
979 1 53 CYS HA 1 68 TYR HB3 . . 3.310 2.412 2.304 2.625 . 0 0 "[ . 1 . 2]" 1
980 1 53 CYS HA 1 68 TYR QD . . 4.010 3.771 3.690 3.831 . 0 0 "[ . 1 . 2]" 1
981 1 53 CYS HA 1 68 TYR QE . . 5.410 5.347 5.241 5.426 0.016 17 0 "[ . 1 . 2]" 1
982 1 53 CYS HA 1 69 LEU H . . 5.070 4.697 4.527 4.967 . 0 0 "[ . 1 . 2]" 1
983 1 53 CYS HA 1 70 HIS HA . . 5.430 5.313 5.212 5.477 0.047 17 0 "[ . 1 . 2]" 1
984 1 53 CYS HB2 1 54 PHE H . . 4.840 4.527 4.463 4.681 . 0 0 "[ . 1 . 2]" 1
985 1 53 CYS HB2 1 56 SER HB3 . . 4.460 3.997 3.888 4.331 . 0 0 "[ . 1 . 2]" 1
986 1 53 CYS HB2 1 68 TYR HA . . 4.680 4.537 4.392 4.703 0.023 14 0 "[ . 1 . 2]" 1
987 1 53 CYS HB2 1 68 TYR HB2 . . 3.750 2.452 2.331 2.745 . 0 0 "[ . 1 . 2]" 1
988 1 53 CYS HB2 1 68 TYR HB3 . . 3.740 3.011 2.799 3.378 . 0 0 "[ . 1 . 2]" 1
989 1 53 CYS HB2 1 69 LEU H . . 4.580 4.073 3.852 4.234 . 0 0 "[ . 1 . 2]" 1
990 1 53 CYS HB2 1 69 LEU HA . . 5.750 4.535 4.362 4.631 . 0 0 "[ . 1 . 2]" 1
991 1 53 CYS HB2 1 69 LEU QD . . 5.750 5.110 4.970 5.141 . 0 0 "[ . 1 . 2]" 1
992 1 53 CYS HB2 1 70 HIS HA . . 4.790 3.382 3.092 3.543 . 0 0 "[ . 1 . 2]" 1
993 1 53 CYS HB2 1 70 HIS HE1 . . 5.750 5.776 5.726 5.810 0.060 14 0 "[ . 1 . 2]" 1
994 1 53 CYS HB3 1 56 SER H . . 4.100 3.119 3.060 3.239 . 0 0 "[ . 1 . 2]" 1
995 1 53 CYS HB3 1 56 SER HA . . 5.170 4.884 4.800 5.024 . 0 0 "[ . 1 . 2]" 1
996 1 53 CYS HB3 1 56 SER HB2 . . 3.950 3.160 2.801 3.973 0.023 17 0 "[ . 1 . 2]" 1
997 1 53 CYS HB3 1 56 SER HB3 . . 3.880 2.360 2.194 2.738 . 0 0 "[ . 1 . 2]" 1
998 1 53 CYS HB3 1 57 LEU H . . 5.280 4.242 3.962 4.587 . 0 0 "[ . 1 . 2]" 1
999 1 53 CYS HB3 1 57 LEU QD . . 5.440 4.900 4.656 5.276 . 0 0 "[ . 1 . 2]" 1
1000 1 53 CYS HB3 1 68 TYR QD . . 5.750 5.685 5.615 5.749 . 0 0 "[ . 1 . 2]" 1
1001 1 53 CYS HB3 1 69 LEU HA . . 5.750 5.568 5.390 5.722 . 0 0 "[ . 1 . 2]" 1
1002 1 53 CYS HB3 1 70 HIS HA . . 4.610 2.668 2.562 2.823 . 0 0 "[ . 1 . 2]" 1
1003 1 53 CYS HB3 1 71 PRO HD2 . . 5.320 3.830 3.660 4.296 . 0 0 "[ . 1 . 2]" 1
1004 1 54 PHE H 1 54 PHE HB2 . . 3.640 3.617 3.605 3.632 . 0 0 "[ . 1 . 2]" 1
1005 1 54 PHE H 1 54 PHE HB3 . . 3.320 2.738 2.704 2.779 . 0 0 "[ . 1 . 2]" 1
1006 1 54 PHE H 1 54 PHE QD . . 4.480 2.275 2.147 2.375 . 0 0 "[ . 1 . 2]" 1
1007 1 54 PHE H 1 55 ASP H . . 3.600 2.710 2.655 2.845 . 0 0 "[ . 1 . 2]" 1
1008 1 54 PHE HA 1 54 PHE QD . . 3.930 3.768 3.757 3.779 . 0 0 "[ . 1 . 2]" 1
1009 1 54 PHE HA 1 55 ASP HA . . 5.130 4.850 4.835 4.873 . 0 0 "[ . 1 . 2]" 1
1010 1 54 PHE HA 1 57 LEU H . . 3.800 3.397 3.283 3.471 . 0 0 "[ . 1 . 2]" 1
1011 1 54 PHE HA 1 57 LEU HB2 . . 4.130 2.601 2.398 2.891 . 0 0 "[ . 1 . 2]" 1
1012 1 54 PHE HA 1 58 LYS HG3 . . 5.490 5.018 4.666 5.182 . 0 0 "[ . 1 . 2]" 1
1013 1 54 PHE HB2 1 55 ASP H . . 3.710 3.728 3.714 3.749 0.039 20 0 "[ . 1 . 2]" 1
1014 1 54 PHE HB2 1 58 LYS HB2 . . 5.140 4.757 4.557 4.884 . 0 0 "[ . 1 . 2]" 1
1015 1 54 PHE HB2 1 58 LYS QD . . 4.890 4.592 4.346 4.823 . 0 0 "[ . 1 . 2]" 1
1016 1 54 PHE HB2 1 58 LYS HG3 . . 5.230 3.768 3.535 3.955 . 0 0 "[ . 1 . 2]" 1
1017 1 54 PHE HB3 1 58 LYS HG3 . . 5.750 5.443 5.171 5.639 . 0 0 "[ . 1 . 2]" 1
1018 1 54 PHE QD 1 55 ASP H . . 4.070 2.940 2.868 3.015 . 0 0 "[ . 1 . 2]" 1
1019 1 54 PHE QD 1 55 ASP HA . . 4.650 3.246 3.144 3.298 . 0 0 "[ . 1 . 2]" 1
1020 1 54 PHE QD 1 58 LYS HB2 . . 5.420 4.416 4.158 4.559 . 0 0 "[ . 1 . 2]" 1
1021 1 54 PHE QD 1 58 LYS HG3 . . 5.750 4.083 3.756 4.275 . 0 0 "[ . 1 . 2]" 1
1022 1 54 PHE QE 1 55 ASP HA . . 5.400 4.510 4.417 4.654 . 0 0 "[ . 1 . 2]" 1
1023 1 54 PHE QE 1 60 ARG QB . . 5.340 5.375 5.319 5.385 0.045 1 0 "[ . 1 . 2]" 1
1024 1 54 PHE QE 1 60 ARG QG . . 5.750 5.585 5.097 5.788 0.038 16 0 "[ . 1 . 2]" 1
1025 1 55 ASP H 1 55 ASP HB2 . . 3.650 2.464 2.420 2.521 . 0 0 "[ . 1 . 2]" 1
1026 1 55 ASP H 1 55 ASP QB . . 3.130 2.425 2.384 2.477 . 0 0 "[ . 1 . 2]" 1
1027 1 55 ASP H 1 55 ASP HB3 . . 3.650 3.611 3.591 3.630 . 0 0 "[ . 1 . 2]" 1
1028 1 55 ASP H 1 56 SER H . . 3.560 2.794 2.765 2.820 . 0 0 "[ . 1 . 2]" 1
1029 1 55 ASP H 1 57 LEU H . . 4.980 4.303 4.222 4.403 . 0 0 "[ . 1 . 2]" 1
1030 1 55 ASP HA 1 58 LYS H . . 4.180 3.500 3.407 3.591 . 0 0 "[ . 1 . 2]" 1
1031 1 55 ASP HA 1 58 LYS HB2 . . 4.230 2.778 2.556 2.992 . 0 0 "[ . 1 . 2]" 1
1032 1 55 ASP HA 1 58 LYS HB3 . . 5.060 4.430 4.213 4.654 . 0 0 "[ . 1 . 2]" 1
1033 1 55 ASP HA 1 58 LYS HG2 . . 5.140 4.296 4.068 4.586 . 0 0 "[ . 1 . 2]" 1
1034 1 55 ASP HA 1 58 LYS HG3 . . 4.850 4.330 4.038 4.623 . 0 0 "[ . 1 . 2]" 1
1035 1 55 ASP HA 1 61 CYS QB . . 4.600 4.032 3.922 4.241 . 0 0 "[ . 1 . 2]" 1
1036 1 55 ASP QB 1 56 SER H . . 3.700 2.713 2.607 2.956 . 0 0 "[ . 1 . 2]" 1
1037 1 55 ASP QB 1 60 ARG QB . . 4.530 2.598 2.268 2.828 . 0 0 "[ . 1 . 2]" 1
1038 1 55 ASP QB 1 60 ARG QG . . 4.420 3.417 3.108 3.616 . 0 0 "[ . 1 . 2]" 1
1039 1 55 ASP HB2 1 56 SER HA . . 5.360 4.545 4.475 4.651 . 0 0 "[ . 1 . 2]" 1
1040 1 55 ASP HB2 1 60 ARG QG . . 5.080 4.965 4.603 5.128 0.048 14 0 "[ . 1 . 2]" 1
1041 1 55 ASP HB2 1 61 CYS HA . . 3.630 3.452 2.987 3.591 . 0 0 "[ . 1 . 2]" 1
1042 1 55 ASP HB3 1 56 SER HA . . 5.360 4.451 4.389 4.552 . 0 0 "[ . 1 . 2]" 1
1043 1 55 ASP HB3 1 60 ARG QG . . 5.080 3.482 3.160 3.695 . 0 0 "[ . 1 . 2]" 1
1044 1 55 ASP HB3 1 61 CYS HA . . 3.630 2.635 2.281 2.793 . 0 0 "[ . 1 . 2]" 1
1045 1 56 SER H 1 56 SER HB2 . . 3.710 2.856 2.554 3.644 . 0 0 "[ . 1 . 2]" 1
1046 1 56 SER H 1 56 SER HB3 . . 3.630 2.479 2.402 2.526 . 0 0 "[ . 1 . 2]" 1
1047 1 56 SER H 1 57 LEU H . . 3.590 2.717 2.575 2.792 . 0 0 "[ . 1 . 2]" 1
1048 1 56 SER H 1 61 CYS HA . . 5.750 5.172 5.018 5.466 . 0 0 "[ . 1 . 2]" 1
1049 1 56 SER H 1 61 CYS QB . . 3.930 2.754 2.615 3.188 . 0 0 "[ . 1 . 2]" 1
1050 1 56 SER HA 1 58 LYS H . . 4.740 4.572 4.469 4.663 . 0 0 "[ . 1 . 2]" 1
1051 1 56 SER HA 1 60 ARG H . . 5.050 3.680 3.520 4.013 . 0 0 "[ . 1 . 2]" 1
1052 1 56 SER HA 1 61 CYS H . . 4.230 2.979 2.881 3.296 . 0 0 "[ . 1 . 2]" 1
1053 1 56 SER HA 1 61 CYS HA . . 5.070 4.959 4.802 5.067 . 0 0 "[ . 1 . 2]" 1
1054 1 56 SER HA 1 61 CYS HB2 . . 4.150 2.811 2.300 2.955 . 0 0 "[ . 1 . 2]" 1
1055 1 56 SER HA 1 61 CYS QB . . 3.600 2.441 2.251 2.526 . 0 0 "[ . 1 . 2]" 1
1056 1 56 SER HA 1 61 CYS HB3 . . 4.150 2.720 2.543 3.208 . 0 0 "[ . 1 . 2]" 1
1057 1 56 SER HB2 1 57 LEU H . . 4.220 3.990 3.915 4.096 . 0 0 "[ . 1 . 2]" 1
1058 1 56 SER HB2 1 61 CYS HB2 . . 4.370 3.389 2.875 4.420 0.050 4 0 "[ . 1 . 2]" 1
1059 1 56 SER HB2 1 61 CYS HB3 . . 4.370 3.220 2.875 4.481 0.111 19 0 "[ . 1 . 2]" 1
1060 1 56 SER HB2 1 70 HIS HA . . 5.210 4.023 3.842 4.164 . 0 0 "[ . 1 . 2]" 1
1061 1 56 SER HB2 1 70 HIS HB2 . . 5.750 5.637 5.429 5.778 0.028 19 0 "[ . 1 . 2]" 1
1062 1 56 SER HB2 1 70 HIS HB3 . . 5.020 4.627 3.867 4.959 . 0 0 "[ . 1 . 2]" 1
1063 1 56 SER HB2 1 71 PRO HD2 . . 4.880 4.210 3.318 4.583 . 0 0 "[ . 1 . 2]" 1
1064 1 56 SER HB3 1 57 LEU H . . 4.400 3.020 2.607 3.928 . 0 0 "[ . 1 . 2]" 1
1065 1 56 SER HB3 1 57 LEU HA . . 5.750 4.874 4.496 5.783 0.033 17 0 "[ . 1 . 2]" 1
1066 1 56 SER HB3 1 57 LEU QD . . 5.440 4.613 4.285 5.439 . 0 0 "[ . 1 . 2]" 1
1067 1 56 SER HB3 1 61 CYS HB2 . . 4.390 4.042 3.251 4.353 . 0 0 "[ . 1 . 2]" 1
1068 1 56 SER HB3 1 61 CYS HB3 . . 4.390 4.282 3.188 4.827 0.437 14 0 "[ . 1 . 2]" 1
1069 1 56 SER HB3 1 70 HIS HA . . 4.560 3.466 3.322 3.805 . 0 0 "[ . 1 . 2]" 1
1070 1 56 SER HB3 1 70 HIS HB2 . . 5.750 5.733 5.497 5.807 0.057 6 0 "[ . 1 . 2]" 1
1071 1 56 SER HB3 1 70 HIS HB3 . . 4.870 4.705 4.286 4.877 0.007 2 0 "[ . 1 . 2]" 1
1072 1 56 SER HB3 1 70 HIS HE1 . . 5.380 4.728 3.422 5.404 0.024 4 0 "[ . 1 . 2]" 1
1073 1 56 SER HB3 1 71 PRO HD2 . . 5.160 3.378 2.501 4.390 . 0 0 "[ . 1 . 2]" 1
1074 1 57 LEU H 1 57 LEU HB2 . . 3.540 2.270 2.236 2.312 . 0 0 "[ . 1 . 2]" 1
1075 1 57 LEU H 1 57 LEU HB3 . . 3.570 3.555 3.533 3.577 0.007 2 0 "[ . 1 . 2]" 1
1076 1 57 LEU H 1 57 LEU QD . . 3.790 3.260 3.225 3.315 . 0 0 "[ . 1 . 2]" 1
1077 1 57 LEU H 1 58 LYS H . . 3.170 2.716 2.572 2.838 . 0 0 "[ . 1 . 2]" 1
1078 1 57 LEU H 1 61 CYS QB . . 5.210 4.823 4.779 4.943 . 0 0 "[ . 1 . 2]" 1
1079 1 57 LEU H 1 71 PRO HD2 . . 4.700 4.621 4.456 4.919 0.219 19 0 "[ . 1 . 2]" 1
1080 1 57 LEU HA 1 57 LEU QD . . 2.980 2.143 2.112 2.160 . 0 0 "[ . 1 . 2]" 1
1081 1 57 LEU HA 1 57 LEU HG . . 3.790 2.785 2.716 3.001 . 0 0 "[ . 1 . 2]" 1
1082 1 57 LEU HA 1 58 LYS HA . . 5.230 4.763 4.730 4.792 . 0 0 "[ . 1 . 2]" 1
1083 1 57 LEU HB2 1 57 LEU QD . . 3.070 2.227 2.221 2.241 . 0 0 "[ . 1 . 2]" 1
1084 1 57 LEU HB2 1 58 LYS H . . 3.910 2.750 2.618 2.839 . 0 0 "[ . 1 . 2]" 1
1085 1 57 LEU HB2 1 58 LYS HA . . 5.750 4.746 4.579 4.828 . 0 0 "[ . 1 . 2]" 1
1086 1 57 LEU HB2 1 58 LYS HG2 . . 4.400 3.422 3.251 3.530 . 0 0 "[ . 1 . 2]" 1
1087 1 57 LEU HB2 1 71 PRO HD2 . . 5.750 5.813 5.619 6.219 0.469 19 0 "[ . 1 . 2]" 1
1088 1 57 LEU HB3 1 57 LEU QD . . 2.990 2.129 2.114 2.139 . 0 0 "[ . 1 . 2]" 1
1089 1 57 LEU HB3 1 58 LYS H . . 4.160 3.458 3.403 3.533 . 0 0 "[ . 1 . 2]" 1
1090 1 57 LEU HB3 1 58 LYS HA . . 5.260 4.330 4.281 4.359 . 0 0 "[ . 1 . 2]" 1
1091 1 57 LEU HB3 1 58 LYS HG2 . . 4.480 3.896 3.603 4.074 . 0 0 "[ . 1 . 2]" 1
1092 1 57 LEU HB3 1 58 LYS HG3 . . 5.180 5.627 5.347 5.785 0.605 17 7 "[ * ** *1 -* + 2]" 1
1093 1 57 LEU QD 1 58 LYS H . . 4.650 4.181 4.116 4.233 . 0 0 "[ . 1 . 2]" 1
1094 1 57 LEU QD 1 58 LYS HA . . 5.750 5.126 5.075 5.136 . 0 0 "[ . 1 . 2]" 1
1095 1 57 LEU QD 1 71 PRO HD2 . . 4.630 3.752 3.366 4.147 . 0 0 "[ . 1 . 2]" 1
1096 1 57 LEU QD 1 71 PRO HD3 . . 3.880 3.736 3.446 3.955 0.075 9 0 "[ . 1 . 2]" 1
1097 1 57 LEU QD 1 76 LYS QD . . 4.260 4.014 3.774 4.273 0.013 2 0 "[ . 1 . 2]" 1
1098 1 57 LEU QD 1 76 LYS QG . . 3.320 2.920 2.692 2.972 . 0 0 "[ . 1 . 2]" 1
1099 1 57 LEU QD 1 79 LEU QB . . 4.710 2.973 2.477 3.221 . 0 0 "[ . 1 . 2]" 1
1100 1 57 LEU HG 1 71 PRO HD3 . . 4.720 3.638 3.281 3.916 . 0 0 "[ . 1 . 2]" 1
1101 1 57 LEU HG 1 76 LYS QG . . 5.490 4.914 4.726 4.950 . 0 0 "[ . 1 . 2]" 1
1102 1 58 LYS H 1 58 LYS HB2 . . 3.740 2.415 2.389 2.467 . 0 0 "[ . 1 . 2]" 1
1103 1 58 LYS H 1 58 LYS QD . . 5.320 3.769 3.569 4.351 . 0 0 "[ . 1 . 2]" 1
1104 1 58 LYS H 1 58 LYS HG2 . . 3.910 2.484 2.401 2.550 . 0 0 "[ . 1 . 2]" 1
1105 1 58 LYS H 1 58 LYS HG3 . . 4.220 3.762 3.607 3.816 . 0 0 "[ . 1 . 2]" 1
1106 1 58 LYS H 1 59 GLY H . . 3.970 2.633 2.584 2.700 . 0 0 "[ . 1 . 2]" 1
1107 1 58 LYS H 1 60 ARG H . . 5.050 4.110 3.999 4.281 . 0 0 "[ . 1 . 2]" 1
1108 1 58 LYS HA 1 58 LYS QD . . 3.160 2.334 2.172 3.174 0.014 16 0 "[ . 1 . 2]" 1
1109 1 58 LYS HA 1 58 LYS QE . . 4.130 2.716 1.861 3.352 . 0 0 "[ . 1 . 2]" 1
1110 1 58 LYS HA 1 58 LYS HG2 . . 3.640 3.108 3.006 3.206 . 0 0 "[ . 1 . 2]" 1
1111 1 58 LYS HA 1 58 LYS HG3 . . 3.830 3.797 3.782 3.846 0.016 16 0 "[ . 1 . 2]" 1
1112 1 58 LYS HA 1 59 GLY QA . . 4.910 4.263 4.222 4.287 . 0 0 "[ . 1 . 2]" 1
1113 1 58 LYS HB2 1 58 LYS QD . . 3.630 3.592 3.475 3.611 . 0 0 "[ . 1 . 2]" 1
1114 1 58 LYS HB3 1 58 LYS QE . . 3.610 2.272 2.101 3.459 . 0 0 "[ . 1 . 2]" 1
1115 1 58 LYS HB3 1 59 GLY H . . 4.210 4.165 4.070 4.228 0.018 8 0 "[ . 1 . 2]" 1
1116 1 58 LYS HE2 1 58 LYS HG3 . . 4.240 2.741 2.436 3.875 . 0 0 "[ . 1 . 2]" 1
1117 1 58 LYS HE3 1 58 LYS HG3 . . 4.240 3.271 2.855 3.879 . 0 0 "[ . 1 . 2]" 1
1118 1 58 LYS HG2 1 59 GLY H . . 5.050 4.767 4.741 4.782 . 0 0 "[ . 1 . 2]" 1
1119 1 59 GLY H 1 60 ARG H . . 4.230 2.486 2.368 2.560 . 0 0 "[ . 1 . 2]" 1
1120 1 59 GLY QA 1 60 ARG HA . . 5.020 4.142 4.117 4.166 . 0 0 "[ . 1 . 2]" 1
1121 1 60 ARG H 1 60 ARG QB . . 3.630 2.457 2.398 2.567 . 0 0 "[ . 1 . 2]" 1
1122 1 60 ARG H 1 60 ARG QD . . 5.750 4.855 4.502 5.088 . 0 0 "[ . 1 . 2]" 1
1123 1 60 ARG H 1 60 ARG QG . . 4.370 4.131 4.073 4.255 . 0 0 "[ . 1 . 2]" 1
1124 1 60 ARG H 1 61 CYS H . . 4.160 2.071 1.962 2.126 . 0 0 "[ . 1 . 2]" 1
1125 1 60 ARG H 1 61 CYS HA . . 5.590 4.695 4.520 4.743 . 0 0 "[ . 1 . 2]" 1
1126 1 60 ARG H 1 61 CYS HB2 . . 4.320 4.094 3.827 4.175 . 0 0 "[ . 1 . 2]" 1
1127 1 60 ARG H 1 61 CYS HB3 . . 4.320 4.621 4.452 4.843 0.523 19 1 "[ . 1 . +2]" 1
1128 1 60 ARG HA 1 60 ARG QD . . 4.200 3.485 2.116 4.226 0.026 16 0 "[ . 1 . 2]" 1
1129 1 60 ARG HA 1 60 ARG QG . . 3.380 2.565 2.355 3.138 . 0 0 "[ . 1 . 2]" 1
1130 1 60 ARG HB2 1 60 ARG QD . . 3.660 2.509 2.273 3.137 . 0 0 "[ . 1 . 2]" 1
1131 1 60 ARG HB3 1 60 ARG QD . . 3.660 3.083 2.452 3.564 . 0 0 "[ . 1 . 2]" 1
1132 1 60 ARG QG 1 61 CYS HA . . 4.410 4.045 3.750 4.435 0.025 14 0 "[ . 1 . 2]" 1
1133 1 61 CYS H 1 61 CYS QB . . 3.680 2.217 2.112 2.247 . 0 0 "[ . 1 . 2]" 1
1134 1 61 CYS HA 1 62 SER QB . . 4.640 4.327 3.957 4.444 . 0 0 "[ . 1 . 2]" 1
1135 1 61 CYS HA 1 63 ARG H . . 4.450 3.594 3.268 3.899 . 0 0 "[ . 1 . 2]" 1
1136 1 61 CYS QB 1 63 ARG H . . 5.110 4.164 3.986 4.408 . 0 0 "[ . 1 . 2]" 1
1137 1 62 SER HA 1 62 SER HB2 . . 3.020 2.646 2.456 3.052 0.032 8 0 "[ . 1 . 2]" 1
1138 1 62 SER HA 1 62 SER HB3 . . 3.020 2.483 2.424 3.049 0.029 11 0 "[ . 1 . 2]" 1
1139 1 62 SER QB 1 63 ARG H . . 4.170 3.877 3.630 4.024 . 0 0 "[ . 1 . 2]" 1
1140 1 62 SER HB2 1 63 ARG H . . 4.820 4.275 3.849 4.471 . 0 0 "[ . 1 . 2]" 1
1141 1 62 SER HB3 1 63 ARG H . . 4.820 4.474 3.933 4.584 . 0 0 "[ . 1 . 2]" 1
1142 1 63 ARG H 1 63 ARG HB2 . . 3.330 2.303 2.076 2.566 . 0 0 "[ . 1 . 2]" 1
1143 1 63 ARG H 1 63 ARG HB3 . . 4.400 3.465 2.524 3.762 . 0 0 "[ . 1 . 2]" 1
1144 1 63 ARG H 1 63 ARG QD . . 5.720 4.313 3.719 4.746 . 0 0 "[ . 1 . 2]" 1
1145 1 63 ARG HA 1 63 ARG QD . . 4.680 4.063 4.003 4.205 . 0 0 "[ . 1 . 2]" 1
1146 1 63 ARG HA 1 63 ARG HG2 . . 3.760 2.571 2.440 2.869 . 0 0 "[ . 1 . 2]" 1
1147 1 63 ARG HA 1 63 ARG HG3 . . 3.550 2.976 2.444 3.220 . 0 0 "[ . 1 . 2]" 1
1148 1 63 ARG HA 1 64 GLU HG2 . . 5.120 4.579 3.670 5.675 0.555 14 1 "[ . 1 +. 2]" 1
1149 1 63 ARG HA 1 64 GLU HG3 . . 5.120 4.335 3.624 5.510 0.390 8 0 "[ . 1 . 2]" 1
1150 1 63 ARG HB2 1 63 ARG QD . . 3.580 2.834 2.333 3.031 . 0 0 "[ . 1 . 2]" 1
1151 1 63 ARG HB3 1 63 ARG QD . . 3.390 2.392 2.299 2.551 . 0 0 "[ . 1 . 2]" 1
1152 1 63 ARG HB3 1 66 CYS H . . 4.670 3.182 2.681 4.689 0.019 16 0 "[ . 1 . 2]" 1
1153 1 63 ARG HB3 1 66 CYS HA . . 4.400 3.412 3.038 4.415 0.015 2 0 "[ . 1 . 2]" 1
1154 1 63 ARG QD 1 65 ASN HB2 . . 5.750 4.976 4.791 5.502 . 0 0 "[ . 1 . 2]" 1
1155 1 63 ARG QD 1 65 ASN HB3 . . 5.750 5.431 4.938 5.796 0.046 5 0 "[ . 1 . 2]" 1
1156 1 63 ARG QD 1 66 CYS HA . . 3.950 2.368 2.130 3.298 . 0 0 "[ . 1 . 2]" 1
1157 1 63 ARG QD 1 66 CYS HB3 . . 5.750 4.641 3.707 4.909 . 0 0 "[ . 1 . 2]" 1
1158 1 64 GLU HA 1 65 ASN HB2 . . 5.750 5.592 4.999 6.350 0.600 9 3 "[ - .* +1 . 2]" 1
1159 1 64 GLU QB 1 65 ASN HA . . 5.110 4.698 4.484 5.046 . 0 0 "[ . 1 . 2]" 1
1160 1 64 GLU QB 1 65 ASN HB2 . . 5.160 4.664 3.510 6.137 0.977 6 1 "[ .+ 1 . 2]" 1
1161 1 64 GLU QB 1 65 ASN HB3 . . 5.210 5.199 3.910 6.038 0.828 20 5 "[ . * 1 ** - +]" 1
1162 1 65 ASN H 1 66 CYS H . . 4.610 2.484 2.110 4.097 . 0 0 "[ . 1 . 2]" 1
1163 1 65 ASN HA 1 66 CYS H . . 3.280 2.866 2.199 3.274 . 0 0 "[ . 1 . 2]" 1
1164 1 65 ASN HA 1 66 CYS HA . . 5.220 4.814 4.473 4.950 . 0 0 "[ . 1 . 2]" 1
1165 1 66 CYS H 1 66 CYS HB2 . . 3.190 2.317 2.102 2.805 . 0 0 "[ . 1 . 2]" 1
1166 1 66 CYS H 1 66 CYS HB3 . . 3.630 2.891 2.597 3.584 . 0 0 "[ . 1 . 2]" 1
1167 1 66 CYS H 1 67 LYS H . . 4.760 4.546 4.409 4.630 . 0 0 "[ . 1 . 2]" 1
1168 1 66 CYS H 1 68 TYR H . . 5.320 5.283 4.789 5.376 0.056 11 0 "[ . 1 . 2]" 1
1169 1 66 CYS HA 1 67 LYS H . . 2.900 2.134 2.029 2.310 . 0 0 "[ . 1 . 2]" 1
1170 1 66 CYS HA 1 67 LYS HA . . 5.750 4.427 4.405 4.478 . 0 0 "[ . 1 . 2]" 1
1171 1 66 CYS HA 1 67 LYS QD . . 5.580 5.548 5.310 5.661 0.081 6 0 "[ . 1 . 2]" 1
1172 1 66 CYS HA 1 67 LYS QG . . 5.160 3.504 3.278 3.616 . 0 0 "[ . 1 . 2]" 1
1173 1 66 CYS HA 1 68 TYR QD . . 4.930 4.123 3.634 4.438 . 0 0 "[ . 1 . 2]" 1
1174 1 66 CYS HB3 1 67 LYS H . . 4.230 3.826 2.862 4.164 . 0 0 "[ . 1 . 2]" 1
1175 1 66 CYS HB3 1 67 LYS HA . . 5.750 5.053 4.516 5.205 . 0 0 "[ . 1 . 2]" 1
1176 1 66 CYS HB3 1 68 TYR QD . . 5.750 4.792 2.656 5.366 . 0 0 "[ . 1 . 2]" 1
1177 1 67 LYS H 1 67 LYS HB2 . . 3.750 2.739 2.662 2.846 . 0 0 "[ . 1 . 2]" 1
1178 1 67 LYS H 1 67 LYS HB3 . . 3.770 3.692 3.646 3.801 0.031 16 0 "[ . 1 . 2]" 1
1179 1 67 LYS H 1 67 LYS QG . . 3.710 2.227 2.106 2.626 . 0 0 "[ . 1 . 2]" 1
1180 1 67 LYS H 1 68 TYR H . . 3.480 2.576 2.140 2.696 . 0 0 "[ . 1 . 2]" 1
1181 1 67 LYS H 1 68 TYR QD . . 4.680 2.869 2.402 3.126 . 0 0 "[ . 1 . 2]" 1
1182 1 67 LYS HA 1 67 LYS QD . . 4.720 3.932 3.790 3.996 . 0 0 "[ . 1 . 2]" 1
1183 1 67 LYS HA 1 67 LYS QE . . 5.140 4.542 4.443 5.142 0.002 4 0 "[ . 1 . 2]" 1
1184 1 67 LYS HA 1 67 LYS QG . . 3.670 2.570 2.513 2.689 . 0 0 "[ . 1 . 2]" 1
1185 1 67 LYS HA 1 68 TYR HA . . 5.240 4.606 4.568 4.638 . 0 0 "[ . 1 . 2]" 1
1186 1 67 LYS HB2 1 67 LYS QE . . 4.630 2.135 1.984 3.126 . 0 0 "[ . 1 . 2]" 1
1187 1 67 LYS HB2 1 68 TYR H . . 4.750 3.690 3.618 3.866 . 0 0 "[ . 1 . 2]" 1
1188 1 67 LYS HB2 1 68 TYR HA . . 5.150 4.625 4.412 4.895 . 0 0 "[ . 1 . 2]" 1
1189 1 67 LYS HB2 1 68 TYR QD . . 4.660 3.254 3.002 3.498 . 0 0 "[ . 1 . 2]" 1
1190 1 67 LYS HB2 1 68 TYR QE . . 5.140 3.066 2.915 3.183 . 0 0 "[ . 1 . 2]" 1
1191 1 67 LYS HB3 1 67 LYS QE . . 4.290 2.788 2.507 3.722 . 0 0 "[ . 1 . 2]" 1
1192 1 67 LYS HB3 1 68 TYR H . . 4.720 4.419 4.366 4.455 . 0 0 "[ . 1 . 2]" 1
1193 1 67 LYS HB3 1 68 TYR HA . . 5.750 5.019 4.898 5.243 . 0 0 "[ . 1 . 2]" 1
1194 1 67 LYS HB3 1 68 TYR QD . . 5.080 4.678 4.500 4.838 . 0 0 "[ . 1 . 2]" 1
1195 1 67 LYS HB3 1 68 TYR QE . . 5.220 4.613 4.480 4.780 . 0 0 "[ . 1 . 2]" 1
1196 1 67 LYS QD 1 68 TYR QE . . 5.330 4.818 4.565 5.044 . 0 0 "[ . 1 . 2]" 1
1197 1 67 LYS QE 1 67 LYS QG . . 3.500 2.410 2.339 2.466 . 0 0 "[ . 1 . 2]" 1
1198 1 67 LYS QE 1 68 TYR QE . . 4.110 2.980 2.656 3.349 . 0 0 "[ . 1 . 2]" 1
1199 1 67 LYS QG 1 68 TYR H . . 4.720 4.237 4.180 4.269 . 0 0 "[ . 1 . 2]" 1
1200 1 67 LYS QG 1 68 TYR QD . . 4.560 4.088 4.078 4.094 . 0 0 "[ . 1 . 2]" 1
1201 1 67 LYS QG 1 68 TYR QE . . 4.740 3.864 3.566 4.186 . 0 0 "[ . 1 . 2]" 1
1202 1 68 TYR H 1 68 TYR HB2 . . 3.570 2.583 2.540 2.663 . 0 0 "[ . 1 . 2]" 1
1203 1 68 TYR H 1 68 TYR HB3 . . 3.690 3.723 3.699 3.753 0.063 14 0 "[ . 1 . 2]" 1
1204 1 68 TYR H 1 68 TYR QD . . 3.700 2.769 2.595 2.944 . 0 0 "[ . 1 . 2]" 1
1205 1 68 TYR H 1 68 TYR QE . . 4.840 4.753 4.643 4.851 0.011 14 0 "[ . 1 . 2]" 1
1206 1 68 TYR HA 1 68 TYR QD . . 3.160 2.873 2.729 3.012 . 0 0 "[ . 1 . 2]" 1
1207 1 68 TYR HA 1 68 TYR QE . . 5.050 4.689 4.600 4.766 . 0 0 "[ . 1 . 2]" 1
1208 1 68 TYR HA 1 69 LEU H . . 3.380 2.249 2.205 2.303 . 0 0 "[ . 1 . 2]" 1
1209 1 68 TYR HA 1 69 LEU HA . . 5.230 4.327 4.299 4.399 . 0 0 "[ . 1 . 2]" 1
1210 1 68 TYR HA 1 69 LEU HB2 . . 4.880 4.351 4.279 4.419 . 0 0 "[ . 1 . 2]" 1
1211 1 68 TYR HA 1 69 LEU QD . . 4.120 3.150 3.030 3.229 . 0 0 "[ . 1 . 2]" 1
1212 1 68 TYR HA 1 69 LEU HG . . 5.750 5.658 5.555 5.741 . 0 0 "[ . 1 . 2]" 1
1213 1 68 TYR HB2 1 69 LEU H . . 4.310 3.848 3.766 3.943 . 0 0 "[ . 1 . 2]" 1
1214 1 68 TYR HB2 1 69 LEU QD . . 5.750 5.075 4.970 5.135 . 0 0 "[ . 1 . 2]" 1
1215 1 68 TYR HB3 1 69 LEU H . . 3.810 2.777 2.618 2.978 . 0 0 "[ . 1 . 2]" 1
1216 1 68 TYR HB3 1 69 LEU HA . . 5.750 5.017 4.913 5.154 . 0 0 "[ . 1 . 2]" 1
1217 1 68 TYR HB3 1 69 LEU HB2 . . 4.870 4.658 4.513 4.815 . 0 0 "[ . 1 . 2]" 1
1218 1 68 TYR QD 1 69 LEU H . . 4.250 3.925 3.828 4.049 . 0 0 "[ . 1 . 2]" 1
1219 1 69 LEU H 1 69 LEU HB2 . . 3.570 2.182 2.135 2.228 . 0 0 "[ . 1 . 2]" 1
1220 1 69 LEU H 1 69 LEU HB3 . . 3.590 3.490 3.451 3.524 . 0 0 "[ . 1 . 2]" 1
1221 1 69 LEU H 1 69 LEU QD . . 3.790 2.373 2.279 2.468 . 0 0 "[ . 1 . 2]" 1
1222 1 69 LEU H 1 69 LEU HG . . 3.940 3.931 3.851 3.954 0.014 15 0 "[ . 1 . 2]" 1
1223 1 69 LEU H 1 70 HIS H . . 4.910 4.529 4.478 4.630 . 0 0 "[ . 1 . 2]" 1
1224 1 69 LEU HA 1 69 LEU QD . . 2.970 2.001 1.982 2.049 . 0 0 "[ . 1 . 2]" 1
1225 1 69 LEU HA 1 69 LEU HG . . 3.910 3.703 3.670 3.741 . 0 0 "[ . 1 . 2]" 1
1226 1 69 LEU HA 1 70 HIS H . . 3.140 2.179 2.160 2.222 . 0 0 "[ . 1 . 2]" 1
1227 1 69 LEU HA 1 70 HIS HA . . 5.490 4.487 4.458 4.520 . 0 0 "[ . 1 . 2]" 1
1228 1 69 LEU HB2 1 69 LEU QD . . 3.250 2.430 2.394 2.459 . 0 0 "[ . 1 . 2]" 1
1229 1 69 LEU HB2 1 70 HIS H . . 4.640 4.569 4.462 4.622 . 0 0 "[ . 1 . 2]" 1
1230 1 69 LEU HB3 1 69 LEU QD . . 3.240 2.250 2.235 2.268 . 0 0 "[ . 1 . 2]" 1
1231 1 69 LEU HB3 1 70 HIS H . . 4.640 3.695 3.471 3.809 . 0 0 "[ . 1 . 2]" 1
1232 1 69 LEU QD 1 70 HIS H . . 3.590 3.212 3.186 3.227 . 0 0 "[ . 1 . 2]" 1
1233 1 69 LEU QD 1 70 HIS HA . . 5.750 5.054 4.969 5.102 . 0 0 "[ . 1 . 2]" 1
1234 1 70 HIS H 1 70 HIS HB2 . . 3.650 2.323 2.220 2.487 . 0 0 "[ . 1 . 2]" 1
1235 1 70 HIS H 1 70 HIS HB3 . . 4.010 3.583 3.509 3.653 . 0 0 "[ . 1 . 2]" 1
1236 1 70 HIS H 1 71 PRO HD2 . . 5.100 5.210 5.029 5.376 0.276 17 0 "[ . 1 . 2]" 1
1237 1 70 HIS HA 1 71 PRO HD2 . . 3.230 2.500 2.284 2.721 . 0 0 "[ . 1 . 2]" 1
1238 1 70 HIS HA 1 71 PRO HD3 . . 3.260 2.179 2.037 2.405 . 0 0 "[ . 1 . 2]" 1
1239 1 70 HIS HB2 1 71 PRO HD3 . . 4.840 4.986 4.859 5.192 0.352 6 0 "[ . 1 . 2]" 1
1240 1 70 HIS HB3 1 71 PRO HD2 . . 4.400 3.515 3.039 3.711 . 0 0 "[ . 1 . 2]" 1
1241 1 70 HIS HB3 1 71 PRO HD3 . . 4.470 4.264 4.117 4.467 . 0 0 "[ . 1 . 2]" 1
1242 1 71 PRO HA 1 72 PRO HD2 . . 5.750 2.222 2.160 2.290 . 0 0 "[ . 1 . 2]" 1
1243 1 71 PRO HA 1 72 PRO HD3 . . 5.750 2.461 2.316 2.612 . 0 0 "[ . 1 . 2]" 1
1244 1 71 PRO HA 1 75 LEU HB2 . . 4.720 4.097 3.849 4.204 . 0 0 "[ . 1 . 2]" 1
1245 1 71 PRO HA 1 75 LEU HB3 . . 5.170 5.138 4.772 5.204 0.034 12 0 "[ . 1 . 2]" 1
1246 1 71 PRO HA 1 76 LYS QD . . 5.230 5.009 4.773 5.289 0.059 4 0 "[ . 1 . 2]" 1
1247 1 71 PRO HD3 1 79 LEU QD . . 5.300 4.058 3.783 4.198 . 0 0 "[ . 1 . 2]" 1
1248 1 72 PRO HA 1 73 PRO HA . . 4.540 4.433 4.355 4.466 . 0 0 "[ . 1 . 2]" 1
1249 1 72 PRO HA 1 73 PRO HD2 . . 3.370 2.732 2.384 2.870 . 0 0 "[ . 1 . 2]" 1
1250 1 72 PRO HA 1 73 PRO HD3 . . 3.210 2.219 2.119 2.603 . 0 0 "[ . 1 . 2]" 1
1251 1 72 PRO HA 1 73 PRO HG2 . . 5.000 4.664 4.564 4.705 . 0 0 "[ . 1 . 2]" 1
1252 1 72 PRO HA 1 73 PRO QG . . 4.280 4.020 3.979 4.154 . 0 0 "[ . 1 . 2]" 1
1253 1 72 PRO HA 1 73 PRO HG3 . . 5.000 4.401 4.305 4.724 . 0 0 "[ . 1 . 2]" 1
1254 1 72 PRO HA 1 76 LYS QD . . 5.750 4.143 4.031 4.302 . 0 0 "[ . 1 . 2]" 1
1255 1 72 PRO HA 1 76 LYS QG . . 4.820 4.288 4.211 4.331 . 0 0 "[ . 1 . 2]" 1
1256 1 72 PRO QB 1 73 PRO HD2 . . 3.340 2.621 2.342 2.819 . 0 0 "[ . 1 . 2]" 1
1257 1 72 PRO QB 1 73 PRO HD3 . . 3.490 3.452 3.336 3.729 0.239 14 0 "[ . 1 . 2]" 1
1258 1 72 PRO QB 1 75 LEU H . . 4.930 3.595 3.464 3.783 . 0 0 "[ . 1 . 2]" 1
1259 1 72 PRO QB 1 75 LEU HB2 . . 5.340 4.197 4.113 4.296 . 0 0 "[ . 1 . 2]" 1
1260 1 72 PRO HB2 1 73 PRO HD2 . . 3.910 2.711 2.423 2.932 . 0 0 "[ . 1 . 2]" 1
1261 1 72 PRO HB2 1 73 PRO HD3 . . 3.990 3.764 3.624 4.051 0.061 14 0 "[ . 1 . 2]" 1
1262 1 72 PRO HB2 1 75 LEU MD1 . . 4.970 4.328 4.175 4.450 . 0 0 "[ . 1 . 2]" 1
1263 1 72 PRO HB3 1 73 PRO HD2 . . 3.910 3.484 3.104 3.655 . 0 0 "[ . 1 . 2]" 1
1264 1 72 PRO HB3 1 73 PRO HD3 . . 3.990 4.016 3.893 4.359 0.369 14 0 "[ . 1 . 2]" 1
1265 1 72 PRO HB3 1 75 LEU MD1 . . 4.970 4.544 4.389 4.665 . 0 0 "[ . 1 . 2]" 1
1266 1 72 PRO HD2 1 75 LEU H . . 4.710 3.887 3.687 4.051 . 0 0 "[ . 1 . 2]" 1
1267 1 72 PRO HD2 1 75 LEU HB2 . . 3.900 2.184 2.087 2.253 . 0 0 "[ . 1 . 2]" 1
1268 1 72 PRO HD2 1 75 LEU HB3 . . 4.090 3.593 3.426 3.676 . 0 0 "[ . 1 . 2]" 1
1269 1 72 PRO HD2 1 75 LEU MD1 . . 3.420 2.795 2.397 2.908 . 0 0 "[ . 1 . 2]" 1
1270 1 72 PRO HD2 1 75 LEU MD2 . . 4.940 4.860 4.657 4.933 . 0 0 "[ . 1 . 2]" 1
1271 1 72 PRO HD2 1 75 LEU HG . . 4.480 4.133 3.911 4.190 . 0 0 "[ . 1 . 2]" 1
1272 1 72 PRO HD2 1 76 LYS QG . . 5.750 4.049 3.912 4.127 . 0 0 "[ . 1 . 2]" 1
1273 1 72 PRO HD3 1 75 LEU H . . 4.720 5.204 5.049 5.372 0.652 13 8 "[ .*** 1* +*. *-2]" 1
1274 1 72 PRO HD3 1 75 LEU HB2 . . 4.080 3.808 3.701 3.881 . 0 0 "[ . 1 . 2]" 1
1275 1 72 PRO HD3 1 75 LEU HB3 . . 5.200 5.202 5.084 5.287 0.087 18 0 "[ . 1 . 2]" 1
1276 1 72 PRO HD3 1 75 LEU MD1 . . 3.490 3.431 3.153 3.536 0.046 10 0 "[ . 1 . 2]" 1
1277 1 72 PRO HD3 1 75 LEU HG . . 5.350 5.189 4.992 5.303 . 0 0 "[ . 1 . 2]" 1
1278 1 72 PRO HD3 1 76 LYS QG . . 4.970 5.065 4.951 5.135 0.165 19 0 "[ . 1 . 2]" 1
1279 1 72 PRO HG2 1 75 LEU H . . 3.860 2.691 2.572 2.917 . 0 0 "[ . 1 . 2]" 1
1280 1 72 PRO HG2 1 75 LEU HA . . 5.750 4.573 4.459 4.669 . 0 0 "[ . 1 . 2]" 1
1281 1 72 PRO HG2 1 75 LEU HB2 . . 3.940 2.264 2.201 2.337 . 0 0 "[ . 1 . 2]" 1
1282 1 72 PRO HG2 1 75 LEU HB3 . . 4.790 3.881 3.814 3.991 . 0 0 "[ . 1 . 2]" 1
1283 1 72 PRO HG2 1 75 LEU MD1 . . 3.410 2.507 2.376 2.610 . 0 0 "[ . 1 . 2]" 1
1284 1 72 PRO HG2 1 75 LEU MD2 . . 4.530 4.125 3.964 4.262 . 0 0 "[ . 1 . 2]" 1
1285 1 72 PRO HG2 1 75 LEU HG . . 3.990 2.561 2.360 2.765 . 0 0 "[ . 1 . 2]" 1
1286 1 72 PRO HG3 1 74 HIS QB . . 5.750 4.877 4.551 5.340 . 0 0 "[ . 1 . 2]" 1
1287 1 72 PRO HG3 1 75 LEU H . . 4.880 4.474 4.364 4.702 . 0 0 "[ . 1 . 2]" 1
1288 1 72 PRO HG3 1 75 LEU HB2 . . 4.600 3.552 3.425 3.661 . 0 0 "[ . 1 . 2]" 1
1289 1 72 PRO HG3 1 75 LEU MD1 . . 3.890 2.514 2.424 2.626 . 0 0 "[ . 1 . 2]" 1
1290 1 72 PRO HG3 1 75 LEU HG . . 4.500 3.658 3.460 3.825 . 0 0 "[ . 1 . 2]" 1
1291 1 73 PRO HA 1 76 LYS HB2 . . 3.510 2.891 2.705 3.166 . 0 0 "[ . 1 . 2]" 1
1292 1 73 PRO HA 1 76 LYS HB3 . . 4.720 4.450 4.263 4.723 0.003 8 0 "[ . 1 . 2]" 1
1293 1 73 PRO HA 1 76 LYS QD . . 3.640 2.338 2.242 2.431 . 0 0 "[ . 1 . 2]" 1
1294 1 73 PRO HA 1 76 LYS HE2 . . 4.950 4.375 4.113 5.376 0.426 2 0 "[ . 1 . 2]" 1
1295 1 73 PRO HA 1 76 LYS QE . . 4.340 4.088 3.609 4.373 0.033 4 0 "[ . 1 . 2]" 1
1296 1 73 PRO HA 1 76 LYS HE3 . . 4.950 5.118 3.994 5.386 0.436 11 0 "[ . 1 . 2]" 1
1297 1 73 PRO HA 1 76 LYS QG . . 4.380 3.558 3.352 3.775 . 0 0 "[ . 1 . 2]" 1
1298 1 73 PRO HB3 1 76 LYS QD . . 4.780 4.138 3.664 4.446 . 0 0 "[ . 1 . 2]" 1
1299 1 73 PRO HD3 1 76 LYS QD . . 4.200 3.876 3.853 3.887 . 0 0 "[ . 1 . 2]" 1
1300 1 74 HIS HA 1 75 LEU HA . . 5.350 4.572 4.522 4.677 . 0 0 "[ . 1 . 2]" 1
1301 1 74 HIS HA 1 75 LEU MD2 . . 5.750 4.837 4.706 5.045 . 0 0 "[ . 1 . 2]" 1
1302 1 74 HIS HA 1 77 THR H . . 4.550 4.586 4.465 4.639 0.089 2 0 "[ . 1 . 2]" 1
1303 1 74 HIS QB 1 75 LEU H . . 3.750 3.261 3.010 3.460 . 0 0 "[ . 1 . 2]" 1
1304 1 74 HIS QB 1 75 LEU HB2 . . 5.110 4.799 4.598 5.012 . 0 0 "[ . 1 . 2]" 1
1305 1 74 HIS QB 1 75 LEU MD2 . . 5.160 3.694 3.371 3.992 . 0 0 "[ . 1 . 2]" 1
1306 1 75 LEU H 1 75 LEU HB2 . . 3.850 2.630 2.500 2.711 . 0 0 "[ . 1 . 2]" 1
1307 1 75 LEU H 1 75 LEU HB3 . . 3.930 3.778 3.677 3.825 . 0 0 "[ . 1 . 2]" 1
1308 1 75 LEU H 1 75 LEU MD1 . . 4.230 4.026 3.811 4.090 . 0 0 "[ . 1 . 2]" 1
1309 1 75 LEU H 1 75 LEU MD2 . . 3.910 3.832 3.658 3.939 0.029 17 0 "[ . 1 . 2]" 1
1310 1 75 LEU H 1 75 LEU HG . . 3.790 2.928 2.598 2.988 . 0 0 "[ . 1 . 2]" 1
1311 1 75 LEU H 1 76 LYS H . . 3.320 2.107 2.033 2.428 . 0 0 "[ . 1 . 2]" 1
1312 1 75 LEU H 1 76 LYS HA . . 5.750 4.786 4.718 5.067 . 0 0 "[ . 1 . 2]" 1
1313 1 75 LEU H 1 77 THR H . . 4.810 4.124 4.017 4.401 . 0 0 "[ . 1 . 2]" 1
1314 1 75 LEU HA 1 75 LEU MD1 . . 4.010 3.888 3.856 3.928 . 0 0 "[ . 1 . 2]" 1
1315 1 75 LEU HA 1 75 LEU MD2 . . 2.850 2.127 2.083 2.168 . 0 0 "[ . 1 . 2]" 1
1316 1 75 LEU HA 1 75 LEU HG . . 4.170 3.100 3.005 3.167 . 0 0 "[ . 1 . 2]" 1
1317 1 75 LEU HA 1 76 LYS HA . . 4.970 4.877 4.848 4.902 . 0 0 "[ . 1 . 2]" 1
1318 1 75 LEU HA 1 78 GLN QB . . 3.290 2.867 2.407 3.061 . 0 0 "[ . 1 . 2]" 1
1319 1 75 LEU HA 1 79 LEU H . . 4.440 4.085 4.027 4.214 . 0 0 "[ . 1 . 2]" 1
1320 1 75 LEU HA 1 79 LEU QD . . 5.750 4.590 4.449 4.953 . 0 0 "[ . 1 . 2]" 1
1321 1 75 LEU HA 1 79 LEU HG . . 5.160 4.546 4.413 4.737 . 0 0 "[ . 1 . 2]" 1
1322 1 75 LEU HB2 1 75 LEU MD1 . . 3.250 2.313 2.265 2.352 . 0 0 "[ . 1 . 2]" 1
1323 1 75 LEU HB2 1 75 LEU MD2 . . 3.580 3.242 3.232 3.253 . 0 0 "[ . 1 . 2]" 1
1324 1 75 LEU HB2 1 76 LYS H . . 4.250 3.328 3.152 3.541 . 0 0 "[ . 1 . 2]" 1
1325 1 75 LEU HB2 1 76 LYS HA . . 5.400 4.654 4.528 4.811 . 0 0 "[ . 1 . 2]" 1
1326 1 75 LEU HB2 1 78 GLN QB . . 4.770 4.731 4.237 4.802 0.032 1 0 "[ . 1 . 2]" 1
1327 1 75 LEU HB2 1 79 LEU QD . . 5.750 3.577 3.232 4.149 . 0 0 "[ . 1 . 2]" 1
1328 1 75 LEU HB3 1 75 LEU MD1 . . 3.090 2.510 2.417 2.618 . 0 0 "[ . 1 . 2]" 1
1329 1 75 LEU HB3 1 75 LEU MD2 . . 3.320 2.378 2.344 2.411 . 0 0 "[ . 1 . 2]" 1
1330 1 75 LEU HB3 1 76 LYS H . . 4.710 4.160 4.031 4.304 . 0 0 "[ . 1 . 2]" 1
1331 1 75 LEU HB3 1 76 LYS HA . . 5.750 4.834 4.690 4.961 . 0 0 "[ . 1 . 2]" 1
1332 1 75 LEU HB3 1 78 GLN QB . . 4.620 3.314 2.835 3.422 . 0 0 "[ . 1 . 2]" 1
1333 1 75 LEU HB3 1 78 GLN QG . . 5.340 4.187 3.797 4.623 . 0 0 "[ . 1 . 2]" 1
1334 1 75 LEU HB3 1 79 LEU QD . . 4.690 3.332 3.159 3.715 . 0 0 "[ . 1 . 2]" 1
1335 1 75 LEU MD1 1 78 GLN QB . . 4.890 4.688 4.348 4.906 0.016 1 0 "[ . 1 . 2]" 1
1336 1 75 LEU MD2 1 78 GLN H . . 5.150 4.280 4.007 4.413 . 0 0 "[ . 1 . 2]" 1
1337 1 75 LEU MD2 1 78 GLN QB . . 3.520 3.119 2.591 3.205 . 0 0 "[ . 1 . 2]" 1
1338 1 75 LEU MD2 1 78 GLN QG . . 4.470 2.754 2.392 3.219 . 0 0 "[ . 1 . 2]" 1
1339 1 75 LEU MD2 1 79 LEU H . . 5.280 4.959 4.913 5.031 . 0 0 "[ . 1 . 2]" 1
1340 1 75 LEU HG 1 76 LYS H . . 4.770 4.695 4.640 4.755 . 0 0 "[ . 1 . 2]" 1
1341 1 75 LEU HG 1 78 GLN QG . . 5.340 5.007 4.595 5.414 0.074 17 0 "[ . 1 . 2]" 1
1342 1 76 LYS H 1 76 LYS HB2 . . 3.640 2.343 2.270 2.381 . 0 0 "[ . 1 . 2]" 1
1343 1 76 LYS H 1 76 LYS HB3 . . 3.660 3.596 3.554 3.621 . 0 0 "[ . 1 . 2]" 1
1344 1 76 LYS H 1 76 LYS QG . . 4.150 2.540 2.433 2.638 . 0 0 "[ . 1 . 2]" 1
1345 1 76 LYS H 1 79 LEU QD . . 5.750 4.091 3.782 4.818 . 0 0 "[ . 1 . 2]" 1
1346 1 76 LYS HA 1 76 LYS QD . . 4.110 4.111 4.007 4.139 0.029 10 0 "[ . 1 . 2]" 1
1347 1 76 LYS HA 1 76 LYS QG . . 3.740 2.283 2.256 2.304 . 0 0 "[ . 1 . 2]" 1
1348 1 76 LYS HA 1 79 LEU H . . 4.270 3.435 3.350 3.550 . 0 0 "[ . 1 . 2]" 1
1349 1 76 LYS HA 1 79 LEU HB2 . . 4.330 2.482 2.303 2.701 . 0 0 "[ . 1 . 2]" 1
1350 1 76 LYS HA 1 79 LEU QB . . 3.700 2.463 2.288 2.676 . 0 0 "[ . 1 . 2]" 1
1351 1 76 LYS HA 1 79 LEU HB3 . . 4.330 4.108 3.914 4.364 0.034 17 0 "[ . 1 . 2]" 1
1352 1 76 LYS HA 1 79 LEU QD . . 4.570 2.584 2.356 3.152 . 0 0 "[ . 1 . 2]" 1
1353 1 76 LYS HA 1 79 LEU HG . . 4.120 3.784 3.521 3.876 . 0 0 "[ . 1 . 2]" 1
1354 1 76 LYS HA 1 80 GLU QG . . 5.340 4.833 4.030 5.159 . 0 0 "[ . 1 . 2]" 1
1355 1 76 LYS HB2 1 76 LYS QD . . 3.510 2.493 2.373 2.525 . 0 0 "[ . 1 . 2]" 1
1356 1 76 LYS HB2 1 76 LYS QE . . 4.530 2.946 2.688 4.074 . 0 0 "[ . 1 . 2]" 1
1357 1 76 LYS HB2 1 77 THR H . . 3.790 2.928 2.793 3.045 . 0 0 "[ . 1 . 2]" 1
1358 1 76 LYS HB2 1 77 THR HA . . 5.310 4.787 4.713 4.859 . 0 0 "[ . 1 . 2]" 1
1359 1 76 LYS HB3 1 76 LYS HE2 . . 5.140 2.570 2.207 4.026 . 0 0 "[ . 1 . 2]" 1
1360 1 76 LYS HB3 1 76 LYS HE3 . . 5.140 3.084 2.245 4.674 . 0 0 "[ . 1 . 2]" 1
1361 1 76 LYS HB3 1 77 THR H . . 3.870 3.591 3.495 3.693 . 0 0 "[ . 1 . 2]" 1
1362 1 76 LYS HB3 1 77 THR HA . . 5.330 4.420 4.330 4.518 . 0 0 "[ . 1 . 2]" 1
1363 1 76 LYS HB3 1 80 GLU HB3 . . 5.490 5.050 4.301 6.428 0.938 19 4 "[- . 1 *.* +2]" 1
1364 1 76 LYS HB3 1 80 GLU QG . . 5.020 4.442 3.337 4.869 . 0 0 "[ . 1 . 2]" 1
1365 1 76 LYS QE 1 76 LYS QG . . 3.490 2.399 2.156 2.899 . 0 0 "[ . 1 . 2]" 1
1366 1 76 LYS QG 1 79 LEU QB . . 5.340 3.925 3.715 4.182 . 0 0 "[ . 1 . 2]" 1
1367 1 76 LYS QG 1 79 LEU HG . . 5.750 5.111 4.848 5.161 . 0 0 "[ . 1 . 2]" 1
1368 1 77 THR H 1 77 THR HB . . 3.320 2.631 2.586 2.772 . 0 0 "[ . 1 . 2]" 1
1369 1 77 THR H 1 77 THR MG . . 3.750 3.768 3.760 3.775 0.025 9 0 "[ . 1 . 2]" 1
1370 1 77 THR H 1 78 GLN H . . 3.670 2.739 2.711 2.782 . 0 0 "[ . 1 . 2]" 1
1371 1 77 THR H 1 78 GLN QB . . 4.740 4.740 4.400 4.769 0.029 1 0 "[ . 1 . 2]" 1
1372 1 77 THR HA 1 77 THR MG . . 2.930 2.335 2.287 2.358 . 0 0 "[ . 1 . 2]" 1
1373 1 77 THR HA 1 80 GLU H . . 4.500 3.710 3.612 3.812 . 0 0 "[ . 1 . 2]" 1
1374 1 77 THR HA 1 80 GLU QG . . 4.250 2.380 2.098 3.097 . 0 0 "[ . 1 . 2]" 1
1375 1 77 THR HA 1 81 ILE HB . . 5.750 5.397 5.278 5.485 . 0 0 "[ . 1 . 2]" 1
1376 1 77 THR HA 1 81 ILE HG13 . . 4.700 4.229 4.048 4.295 . 0 0 "[ . 1 . 2]" 1
1377 1 77 THR HB 1 78 GLN H . . 3.550 2.588 2.516 2.690 . 0 0 "[ . 1 . 2]" 1
1378 1 77 THR HB 1 78 GLN QB . . 4.580 4.547 3.908 4.597 0.017 14 0 "[ . 1 . 2]" 1
1379 1 77 THR HB 1 81 ILE MD . . 4.410 4.227 4.095 4.434 0.024 7 0 "[ . 1 . 2]" 1
1380 1 77 THR MG 1 78 GLN H . . 4.010 3.670 3.569 3.852 . 0 0 "[ . 1 . 2]" 1
1381 1 77 THR MG 1 78 GLN HA . . 4.240 3.821 3.742 3.992 . 0 0 "[ . 1 . 2]" 1
1382 1 77 THR MG 1 81 ILE HB . . 4.360 4.367 4.314 4.381 0.021 7 0 "[ . 1 . 2]" 1
1383 1 77 THR MG 1 81 ILE MD . . 3.120 2.303 2.184 2.535 . 0 0 "[ . 1 . 2]" 1
1384 1 78 GLN H 1 78 GLN QB . . 3.070 2.418 2.179 2.465 . 0 0 "[ . 1 . 2]" 1
1385 1 78 GLN H 1 78 GLN QG . . 4.060 2.367 2.222 3.977 . 0 0 "[ . 1 . 2]" 1
1386 1 78 GLN H 1 79 LEU H . . 3.650 2.622 2.582 2.664 . 0 0 "[ . 1 . 2]" 1
1387 1 78 GLN H 1 79 LEU QD . . 5.310 4.746 4.723 4.777 . 0 0 "[ . 1 . 2]" 1
1388 1 78 GLN H 1 80 GLU H . . 4.880 4.261 4.085 4.373 . 0 0 "[ . 1 . 2]" 1
1389 1 78 GLN HA 1 78 GLN QG . . 3.510 2.936 2.425 3.112 . 0 0 "[ . 1 . 2]" 1
1390 1 78 GLN HA 1 81 ILE HB . . 3.570 2.801 2.621 2.942 . 0 0 "[ . 1 . 2]" 1
1391 1 78 GLN HA 1 81 ILE MD . . 3.500 3.004 2.765 3.458 . 0 0 "[ . 1 . 2]" 1
1392 1 78 GLN HA 1 81 ILE MG . . 4.070 4.004 3.890 4.092 0.022 19 0 "[ . 1 . 2]" 1
1393 1 78 GLN QB 1 79 LEU H . . 3.520 2.498 2.437 2.603 . 0 0 "[ . 1 . 2]" 1
1394 1 78 GLN QB 1 79 LEU HA . . 4.570 3.988 3.911 4.354 . 0 0 "[ . 1 . 2]" 1
1395 1 78 GLN QB 1 79 LEU QD . . 4.650 3.693 3.294 3.815 . 0 0 "[ . 1 . 2]" 1
1396 1 78 GLN QB 1 79 LEU HG . . 4.820 3.322 3.194 3.523 . 0 0 "[ . 1 . 2]" 1
1397 1 78 GLN QB 1 81 ILE HB . . 4.710 4.590 4.407 4.739 0.029 1 0 "[ . 1 . 2]" 1
1398 1 79 LEU H 1 79 LEU HB2 . . 3.750 2.421 2.381 2.515 . 0 0 "[ . 1 . 2]" 1
1399 1 79 LEU H 1 79 LEU HB3 . . 3.750 3.594 3.579 3.627 . 0 0 "[ . 1 . 2]" 1
1400 1 79 LEU H 1 79 LEU QD . . 3.860 3.124 3.009 3.151 . 0 0 "[ . 1 . 2]" 1
1401 1 79 LEU H 1 79 LEU HG . . 3.400 2.350 2.288 2.460 . 0 0 "[ . 1 . 2]" 1
1402 1 79 LEU H 1 80 GLU H . . 3.690 2.892 2.773 2.980 . 0 0 "[ . 1 . 2]" 1
1403 1 79 LEU HA 1 79 LEU QD . . 3.050 2.125 2.054 2.163 . 0 0 "[ . 1 . 2]" 1
1404 1 79 LEU HA 1 79 LEU HG . . 3.820 2.990 2.881 3.223 . 0 0 "[ . 1 . 2]" 1
1405 1 79 LEU HA 1 82 ASN H . . 4.470 3.444 3.198 3.578 . 0 0 "[ . 1 . 2]" 1
1406 1 79 LEU HA 1 82 ASN QB . . 3.750 2.663 2.367 3.047 . 0 0 "[ . 1 . 2]" 1
1407 1 79 LEU QB 1 80 GLU H . . 3.190 2.611 2.513 2.715 . 0 0 "[ . 1 . 2]" 1
1408 1 79 LEU QB 1 80 GLU HA . . 4.740 3.989 3.896 4.134 . 0 0 "[ . 1 . 2]" 1
1409 1 79 LEU QB 1 80 GLU QG . . 5.180 4.471 3.966 4.624 . 0 0 "[ . 1 . 2]" 1
1410 1 79 LEU HB2 1 80 GLU HA . . 5.750 4.566 4.505 4.647 . 0 0 "[ . 1 . 2]" 1
1411 1 79 LEU HB3 1 80 GLU HA . . 5.750 4.402 4.263 4.671 . 0 0 "[ . 1 . 2]" 1
1412 1 79 LEU QD 1 80 GLU H . . 4.700 4.161 4.100 4.210 . 0 0 "[ . 1 . 2]" 1
1413 1 79 LEU QD 1 82 ASN HB2 . . 5.340 3.735 3.342 4.521 . 0 0 "[ . 1 . 2]" 1
1414 1 79 LEU QD 1 82 ASN QB . . 4.500 3.511 3.217 3.794 . 0 0 "[ . 1 . 2]" 1
1415 1 79 LEU QD 1 82 ASN HB3 . . 5.340 4.447 3.969 4.758 . 0 0 "[ . 1 . 2]" 1
1416 1 79 LEU HG 1 80 GLU H . . 4.580 4.591 4.542 4.615 0.035 5 0 "[ . 1 . 2]" 1
1417 1 80 GLU H 1 80 GLU HB3 . . 3.230 2.777 2.465 3.555 0.325 1 0 "[ . 1 . 2]" 1
1418 1 80 GLU H 1 80 GLU QG . . 3.590 2.559 2.365 2.942 . 0 0 "[ . 1 . 2]" 1
1419 1 80 GLU H 1 81 ILE H . . 3.740 2.776 2.737 2.848 . 0 0 "[ . 1 . 2]" 1
1420 1 80 GLU HA 1 80 GLU QG . . 3.600 3.273 2.717 3.487 . 0 0 "[ . 1 . 2]" 1
1421 1 80 GLU HB2 1 81 ILE H . . 4.100 3.742 2.309 4.137 0.037 15 0 "[ . 1 . 2]" 1
1422 1 80 GLU HB2 1 81 ILE HG13 . . 5.750 4.616 2.895 5.201 . 0 0 "[ . 1 . 2]" 1
1423 1 80 GLU HB3 1 81 ILE H . . 4.260 3.872 2.672 4.190 . 0 0 "[ . 1 . 2]" 1
1424 1 80 GLU QG 1 81 ILE MD . . 4.630 4.005 3.693 4.734 0.104 16 0 "[ . 1 . 2]" 1
1425 1 81 ILE H 1 81 ILE HB . . 3.220 2.310 2.232 2.341 . 0 0 "[ . 1 . 2]" 1
1426 1 81 ILE H 1 81 ILE MD . . 5.000 3.523 3.228 3.763 . 0 0 "[ . 1 . 2]" 1
1427 1 81 ILE H 1 81 ILE HG12 . . 3.950 3.765 3.631 3.856 . 0 0 "[ . 1 . 2]" 1
1428 1 81 ILE H 1 81 ILE HG13 . . 4.420 2.455 2.266 2.584 . 0 0 "[ . 1 . 2]" 1
1429 1 81 ILE H 1 81 ILE MG . . 4.670 3.747 3.687 3.769 . 0 0 "[ . 1 . 2]" 1
1430 1 81 ILE H 1 82 ASN H . . 3.690 2.698 2.578 2.818 . 0 0 "[ . 1 . 2]" 1
1431 1 81 ILE HA 1 81 ILE MD . . 3.990 3.814 3.759 3.830 . 0 0 "[ . 1 . 2]" 1
1432 1 81 ILE HA 1 81 ILE HG12 . . 3.560 2.465 2.340 2.525 . 0 0 "[ . 1 . 2]" 1
1433 1 81 ILE HA 1 81 ILE HG13 . . 3.660 2.707 2.625 2.794 . 0 0 "[ . 1 . 2]" 1
1434 1 81 ILE HA 1 81 ILE MG . . 3.160 2.583 2.552 2.626 . 0 0 "[ . 1 . 2]" 1
1435 1 81 ILE HA 1 84 ARG QB . . 4.020 2.765 2.383 3.595 . 0 0 "[ . 1 . 2]" 1
1436 1 81 ILE HA 1 84 ARG QD . . 4.730 2.673 2.395 3.219 . 0 0 "[ . 1 . 2]" 1
1437 1 81 ILE HA 1 84 ARG HG2 . . 5.220 5.083 4.102 5.420 0.200 19 0 "[ . 1 . 2]" 1
1438 1 81 ILE HA 1 84 ARG QG . . 4.500 3.849 2.507 4.350 . 0 0 "[ . 1 . 2]" 1
1439 1 81 ILE HA 1 84 ARG HG3 . . 5.220 3.995 2.530 4.581 . 0 0 "[ . 1 . 2]" 1
1440 1 81 ILE HB 1 81 ILE MD . . 3.010 2.383 2.338 2.444 . 0 0 "[ . 1 . 2]" 1
1441 1 81 ILE HB 1 82 ASN H . . 3.760 2.829 2.756 2.914 . 0 0 "[ . 1 . 2]" 1
1442 1 81 ILE HB 1 82 ASN HA . . 5.330 4.812 4.724 4.893 . 0 0 "[ . 1 . 2]" 1
1443 1 81 ILE MD 1 84 ARG QB . . 5.750 5.635 5.341 5.806 0.056 7 0 "[ . 1 . 2]" 1
1444 1 81 ILE HG12 1 81 ILE MG . . 3.270 2.380 2.347 2.441 . 0 0 "[ . 1 . 2]" 1
1445 1 81 ILE HG13 1 81 ILE MG . . 3.440 3.242 3.234 3.256 . 0 0 "[ . 1 . 2]" 1
1446 1 81 ILE HG13 1 82 ASN H . . 4.810 4.587 4.552 4.606 . 0 0 "[ . 1 . 2]" 1
1447 1 81 ILE MG 1 82 ASN H . . 4.020 3.276 3.167 3.459 . 0 0 "[ . 1 . 2]" 1
1448 1 81 ILE MG 1 82 ASN HA . . 3.940 3.502 3.330 3.764 . 0 0 "[ . 1 . 2]" 1
1449 1 81 ILE MG 1 82 ASN QB . . 5.340 4.515 3.922 4.843 . 0 0 "[ . 1 . 2]" 1
1450 1 81 ILE MG 1 84 ARG QB . . 4.670 4.013 3.699 4.355 . 0 0 "[ . 1 . 2]" 1
1451 1 81 ILE MG 1 85 ASN QB . . 5.300 4.031 3.298 5.232 . 0 0 "[ . 1 . 2]" 1
1452 1 82 ASN H 1 82 ASN HB2 . . 3.990 2.412 2.284 2.585 . 0 0 "[ . 1 . 2]" 1
1453 1 82 ASN H 1 82 ASN QB . . 3.450 2.365 2.202 2.534 . 0 0 "[ . 1 . 2]" 1
1454 1 82 ASN H 1 82 ASN HB3 . . 3.990 3.485 2.784 3.643 . 0 0 "[ . 1 . 2]" 1
1455 1 82 ASN HA 1 83 GLY QA . . 5.750 4.554 4.501 4.594 . 0 0 "[ . 1 . 2]" 1
1456 1 82 ASN HA 1 85 ASN QB . . 3.540 2.871 2.499 3.546 0.006 7 0 "[ . 1 . 2]" 1
1457 1 83 GLY H 1 84 ARG H . . 4.920 2.815 2.713 2.887 . 0 0 "[ . 1 . 2]" 1
1458 1 83 GLY QA 1 84 ARG QB . . 5.750 4.565 4.512 4.754 . 0 0 "[ . 1 . 2]" 1
1459 1 83 GLY QA 1 84 ARG QG . . 5.340 4.066 3.942 4.208 . 0 0 "[ . 1 . 2]" 1
1460 1 83 GLY QA 1 86 ASN HB2 . . 5.750 3.406 2.721 4.576 . 0 0 "[ . 1 . 2]" 1
1461 1 83 GLY QA 1 86 ASN QB . . 4.750 2.753 2.345 3.472 . 0 0 "[ . 1 . 2]" 1
1462 1 83 GLY QA 1 86 ASN HB3 . . 5.750 3.423 2.376 4.707 . 0 0 "[ . 1 . 2]" 1
1463 1 83 GLY QA 1 87 LEU QB . . 5.340 4.152 3.586 4.756 . 0 0 "[ . 1 . 2]" 1
1464 1 84 ARG H 1 84 ARG QB . . 3.450 2.343 2.284 2.488 . 0 0 "[ . 1 . 2]" 1
1465 1 84 ARG H 1 84 ARG QD . . 4.970 3.580 3.400 3.876 . 0 0 "[ . 1 . 2]" 1
1466 1 84 ARG H 1 84 ARG HG2 . . 4.510 3.735 3.459 3.829 . 0 0 "[ . 1 . 2]" 1
1467 1 84 ARG H 1 84 ARG QG . . 3.880 2.398 2.178 2.490 . 0 0 "[ . 1 . 2]" 1
1468 1 84 ARG H 1 84 ARG HG3 . . 4.510 2.428 2.201 2.524 . 0 0 "[ . 1 . 2]" 1
1469 1 84 ARG HA 1 84 ARG QD . . 4.230 4.079 3.971 4.180 . 0 0 "[ . 1 . 2]" 1
1470 1 84 ARG HA 1 84 ARG HG2 . . 3.660 2.590 2.485 2.648 . 0 0 "[ . 1 . 2]" 1
1471 1 84 ARG HA 1 84 ARG HG3 . . 3.660 2.814 2.623 3.057 . 0 0 "[ . 1 . 2]" 1
1472 1 84 ARG HA 1 87 LEU HB2 . . 4.440 3.312 2.450 4.294 . 0 0 "[ . 1 . 2]" 1
1473 1 84 ARG HA 1 87 LEU QB . . 3.750 2.949 2.285 3.659 . 0 0 "[ . 1 . 2]" 1
1474 1 84 ARG HA 1 87 LEU HB3 . . 4.440 3.905 2.319 5.317 0.877 6 4 "[ .+ -1* . * 2]" 1
1475 1 84 ARG HA 1 87 LEU QD . . 3.680 3.373 2.675 3.700 0.020 18 0 "[ . 1 . 2]" 1
1476 1 84 ARG QB 1 85 ASN H . . 5.100 2.865 2.570 3.165 . 0 0 "[ . 1 . 2]" 1
1477 1 84 ARG QB 1 85 ASN HA . . 4.220 4.140 3.970 4.289 0.069 17 0 "[ . 1 . 2]" 1
1478 1 86 ASN HA 1 87 LEU H . . 3.650 3.478 3.158 3.612 . 0 0 "[ . 1 . 2]" 1
1479 1 86 ASN HA 1 88 ILE H . . 4.450 3.808 3.359 4.238 . 0 0 "[ . 1 . 2]" 1
1480 1 86 ASN HA 1 88 ILE MD . . 4.600 3.732 2.821 4.609 0.009 11 0 "[ . 1 . 2]" 1
1481 1 86 ASN HA 1 88 ILE QG . . 4.320 3.378 2.894 4.339 0.019 5 0 "[ . 1 . 2]" 1
1482 1 86 ASN QB 1 87 LEU QB . . 4.660 4.324 3.948 4.669 0.009 6 0 "[ . 1 . 2]" 1
1483 1 86 ASN QB 1 87 LEU QD . . 4.850 4.255 2.676 4.866 0.016 14 0 "[ . 1 . 2]" 1
1484 1 86 ASN QB 1 88 ILE MD . . 5.340 5.129 4.183 5.397 0.057 2 0 "[ . 1 . 2]" 1
1485 1 86 ASN HB2 1 87 LEU H . . 4.670 3.744 2.906 4.461 . 0 0 "[ . 1 . 2]" 1
1486 1 86 ASN HB3 1 87 LEU H . . 4.670 3.358 2.515 4.383 . 0 0 "[ . 1 . 2]" 1
1487 1 87 LEU H 1 87 LEU HB2 . . 3.910 2.393 2.164 3.022 . 0 0 "[ . 1 . 2]" 1
1488 1 87 LEU H 1 87 LEU QB . . 3.310 2.241 2.068 2.531 . 0 0 "[ . 1 . 2]" 1
1489 1 87 LEU H 1 87 LEU HB3 . . 3.910 2.984 2.385 3.603 . 0 0 "[ . 1 . 2]" 1
1490 1 87 LEU H 1 87 LEU MD1 . . 5.460 3.769 2.468 4.395 . 0 0 "[ . 1 . 2]" 1
1491 1 87 LEU H 1 87 LEU QD . . 4.770 3.370 2.296 3.975 . 0 0 "[ . 1 . 2]" 1
1492 1 87 LEU H 1 87 LEU MD2 . . 5.460 3.879 2.332 4.558 . 0 0 "[ . 1 . 2]" 1
1493 1 87 LEU HA 1 87 LEU MD1 . . 4.020 2.779 2.084 3.931 . 0 0 "[ . 1 . 2]" 1
1494 1 87 LEU HA 1 87 LEU QD . . 2.950 2.164 2.061 2.351 . 0 0 "[ . 1 . 2]" 1
1495 1 87 LEU HA 1 87 LEU MD2 . . 4.020 3.245 2.143 3.911 . 0 0 "[ . 1 . 2]" 1
1496 1 87 LEU HA 1 87 LEU HG . . 3.580 3.106 2.469 3.632 0.052 18 0 "[ . 1 . 2]" 1
1497 1 87 LEU QB 1 87 LEU QD . . 2.840 1.958 1.931 2.094 . 0 0 "[ . 1 . 2]" 1
1498 1 87 LEU QB 1 88 ILE H . . 5.090 3.296 2.715 3.943 . 0 0 "[ . 1 . 2]" 1
1499 1 87 LEU HG 1 88 ILE H . . 5.750 4.687 4.012 5.641 . 0 0 "[ . 1 . 2]" 1
1500 1 88 ILE H 1 88 ILE HG12 . . 3.950 2.570 1.869 3.966 0.016 4 0 "[ . 1 . 2]" 1
1501 1 88 ILE H 1 88 ILE QG . . 3.460 2.108 1.845 2.965 . 0 0 "[ . 1 . 2]" 1
1502 1 88 ILE H 1 88 ILE HG13 . . 3.950 2.843 1.871 3.805 . 0 0 "[ . 1 . 2]" 1
1503 1 88 ILE H 1 88 ILE MG . . 4.120 2.628 2.100 3.805 . 0 0 "[ . 1 . 2]" 1
1504 1 88 ILE H 1 89 GLN H . . 4.490 3.572 2.580 4.577 0.087 19 0 "[ . 1 . 2]" 1
1505 1 88 ILE HA 1 88 ILE MD . . 4.550 4.080 3.640 4.251 . 0 0 "[ . 1 . 2]" 1
1506 1 88 ILE HA 1 88 ILE HG12 . . 4.010 3.666 2.540 4.261 0.251 6 0 "[ . 1 . 2]" 1
1507 1 88 ILE HA 1 88 ILE QG . . 3.450 3.251 2.392 3.513 0.063 6 0 "[ . 1 . 2]" 1
1508 1 88 ILE HA 1 88 ILE HG13 . . 4.010 3.670 2.903 4.241 0.231 5 0 "[ . 1 . 2]" 1
1509 1 88 ILE HA 1 88 ILE MG . . 3.520 2.276 2.162 2.517 . 0 0 "[ . 1 . 2]" 1
1510 1 88 ILE HB 1 88 ILE MD . . 3.420 2.486 2.370 3.287 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 2:40:06 AM GMT (wattos1)