NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
368672 |
1auz   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1auz
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 1149
_Distance_constraint_stats_list.Viol_count 6628
_Distance_constraint_stats_list.Viol_total 27613.309
_Distance_constraint_stats_list.Viol_max 0.945
_Distance_constraint_stats_list.Viol_rms 0.1053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0417
_Distance_constraint_stats_list.Viol_average_violations_only 0.1736
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 SER 7.039 0.653 23 4 "[ . 1* - . 2* + ]"
1 2 LEU 24.429 0.653 23 4 "[ . 1* - . 2* + ]"
1 3 GLY 7.891 0.340 24 0 "[ . 1 . 2 ]"
1 4 ILE 9.131 0.405 11 0 "[ . 1 . 2 ]"
1 5 ASP 14.147 0.571 18 4 "[ . 1 .*-+ * ]"
1 6 MET 13.501 0.284 14 0 "[ . 1 . 2 ]"
1 7 ASN 23.621 0.647 18 19 "[*** *****1 *-*.**+***** ]"
1 8 VAL 16.193 0.264 10 0 "[ . 1 . 2 ]"
1 9 LYS 18.009 0.382 8 0 "[ . 1 . 2 ]"
1 10 GLU 43.518 0.585 16 22 "[*** -**********+****** *]"
1 11 SER 28.385 0.497 24 0 "[ . 1 . 2 ]"
1 12 VAL 49.478 0.585 16 24 [***************+******-*]
1 13 LEU 19.950 0.429 23 0 "[ . 1 . 2 ]"
1 14 CYS 27.435 0.685 21 24 [**-*****************+***]
1 15 ILE 40.892 0.647 18 19 "[*** *****1 ***.*-+***** ]"
1 16 ARG 15.724 0.483 24 0 "[ . 1 . 2 ]"
1 17 LEU 19.544 0.607 23 8 "[ .*** 1 *.**- 2 + ]"
1 18 THR 27.982 0.487 9 0 "[ . 1 . 2 ]"
1 19 GLY 9.995 0.413 11 0 "[ . 1 . 2 ]"
1 20 GLU 10.959 0.293 20 0 "[ . 1 . 2 ]"
1 21 LEU 11.282 0.274 11 0 "[ . 1 . 2 ]"
1 22 ASP 5.679 0.288 12 0 "[ . 1 . 2 ]"
1 23 HIS 29.273 0.672 3 9 "[ +-* **1 * * *2* ]"
1 24 HIS 27.788 0.481 10 0 "[ . 1 . 2 ]"
1 25 THR 11.939 0.402 23 0 "[ . 1 . 2 ]"
1 26 ALA 14.392 0.449 14 0 "[ . 1 . 2 ]"
1 27 GLU 17.583 0.625 24 13 "[ -*** * 1 ***.* *** +]"
1 28 THR 13.749 0.481 1 0 "[ . 1 . 2 ]"
1 29 LEU 19.690 0.586 9 1 "[ . +1 . 2 ]"
1 30 LYS 21.454 0.625 24 13 "[ -*** * 1 ***.* *** +]"
1 31 GLN 25.420 0.690 18 8 "[** * 1 * - + 2 ** ]"
1 32 LYS 18.060 0.595 12 8 "[ * * * 1 +*-. **2 ]"
1 33 VAL 22.752 0.687 24 18 "[ **.******* *-** **** +]"
1 34 THR 30.975 0.595 12 8 "[ * * * 1 +*-. **2 ]"
1 35 GLN 42.237 0.690 18 24 [************-****+******]
1 36 SER 9.726 0.296 17 0 "[ . 1 . 2 ]"
1 37 LEU 9.462 0.337 17 0 "[ . 1 . 2 ]"
1 38 GLU 35.887 0.549 10 4 "[ * + *- . 2 ]"
1 39 LYS 18.364 0.398 23 0 "[ . 1 . 2 ]"
1 40 ASP 15.384 0.456 23 0 "[ . 1 . 2 ]"
1 41 ASP 23.165 0.610 13 10 "[* *.** ** + .- * 2* ]"
1 42 ILE 12.857 0.610 13 10 "[* *.** ** + .- * 2* ]"
1 43 ARG 16.254 0.497 24 0 "[ . 1 . 2 ]"
1 44 HIS 30.514 0.677 17 10 "[* - * *** *. +**2 ]"
1 45 ILE 54.773 0.705 11 14 "[ **** *+** ** ***- ]"
1 46 VAL 55.124 0.702 5 13 "[* *+* * *.- ***** *]"
1 47 LEU 51.284 0.685 21 24 [********************+***]
1 48 ASN 42.491 0.483 24 0 "[ . 1 . 2 ]"
1 49 LEU 21.537 0.511 6 1 "[ .+ 1 . 2 ]"
1 50 GLU 28.167 0.607 23 8 "[ .*** 1 *.**- 2 + ]"
1 51 ASP 16.074 0.457 10 0 "[ . 1 . 2 ]"
1 52 LEU 20.644 0.568 12 3 "[ * . -1 + . 2 ]"
1 53 SER 11.877 0.426 18 0 "[ . 1 . 2 ]"
1 54 PHE 13.085 0.422 20 0 "[ . 1 . 2 ]"
1 55 MET 16.332 0.568 12 3 "[ * . -1 + . 2 ]"
1 56 ASP 15.694 0.422 20 0 "[ . 1 . 2 ]"
1 57 SER 1.162 0.098 7 0 "[ . 1 . 2 ]"
1 58 SER 19.027 0.672 3 9 "[ +-* **1 * * *2* ]"
1 59 GLY 19.429 0.509 15 1 "[ . 1 + 2 ]"
1 60 LEU 8.597 0.328 2 0 "[ . 1 . 2 ]"
1 61 GLY 21.276 0.530 17 2 "[ . 1 - + 2 ]"
1 62 VAL 10.023 0.412 19 0 "[ . 1 . 2 ]"
1 63 ILE 10.535 0.328 2 0 "[ . 1 . 2 ]"
1 64 LEU 24.442 0.574 22 2 "[ . 1 . - 2 + ]"
1 65 GLY 1.987 0.115 14 0 "[ . 1 . 2 ]"
1 66 ARG 3.934 0.213 6 0 "[ . 1 . 2 ]"
1 67 TYR 14.655 0.389 20 0 "[ . 1 . 2 ]"
1 68 LYS 19.109 0.574 22 1 "[ . 1 . 2 + ]"
1 69 GLN 17.636 0.631 21 7 "[ *. * * - **2+ ]"
1 70 ILE 8.695 0.389 20 0 "[ . 1 . 2 ]"
1 71 LYS 9.028 0.316 20 0 "[ . 1 . 2 ]"
1 72 GLN 16.248 0.887 13 12 "[-* *. ** * + .****2 *]"
1 73 ILE 14.091 0.631 21 7 "[ *. * * - **2+ ]"
1 74 GLY 6.841 0.251 10 0 "[ . 1 . 2 ]"
1 75 GLY 18.946 0.887 13 12 "[-* *. ** * + .****2 *]"
1 76 GLU 22.259 0.677 17 10 "[* - * *** *. +**2 ]"
1 77 MET 26.125 0.855 6 12 "[-* *.+ *1 ** .* * * ** ]"
1 78 VAL 51.031 0.855 6 20 "[** **+ *******- *******]"
1 79 VAL 13.872 0.404 24 0 "[ . 1 . 2 ]"
1 80 CYS 27.916 0.549 19 8 "[ * .* ** ** +2- ]"
1 81 ALA 6.617 0.297 14 0 "[ . 1 . 2 ]"
1 82 ILE 1.976 0.169 20 0 "[ . 1 . 2 ]"
1 83 SER 10.695 0.583 3 4 "[ + . 1 . -* *]"
1 84 PRO 17.608 0.583 3 4 "[ + . 1 . -* *]"
1 85 ALA 18.277 0.487 8 0 "[ . 1 . 2 ]"
1 86 VAL 16.817 0.487 8 0 "[ . 1 . 2 ]"
1 87 LYS 18.770 0.502 7 1 "[ . + 1 . 2 ]"
1 88 ARG 15.235 0.380 10 0 "[ . 1 . 2 ]"
1 89 LEU 17.323 0.467 19 0 "[ . 1 . 2 ]"
1 90 PHE 12.151 0.502 7 1 "[ . + 1 . 2 ]"
1 91 ASP 26.472 0.945 24 1 "[ . 1 . 2 +]"
1 92 MET 17.806 0.467 19 0 "[ . 1 . 2 ]"
1 93 SER 0.157 0.156 24 0 "[ . 1 . 2 ]"
1 94 GLY 2.241 0.945 24 1 "[ . 1 . 2 +]"
1 95 LEU 3.060 0.525 24 1 "[ . 1 . 2 +]"
1 96 PHE 13.672 0.493 24 0 "[ . 1 . 2 ]"
1 97 LYS 3.363 0.171 4 0 "[ . 1 . 2 ]"
1 98 ILE 25.629 0.560 18 2 "[ . - 1 . + 2 ]"
1 99 ILE 5.907 0.350 6 0 "[ . 1 . 2 ]"
1 100 ARG 14.873 0.491 20 0 "[ . 1 . 2 ]"
1 101 PHE 4.883 0.211 20 0 "[ . 1 . 2 ]"
1 102 GLU 12.619 0.407 9 0 "[ . 1 . 2 ]"
1 103 GLN 15.956 0.433 9 0 "[ . 1 . 2 ]"
1 104 SER 16.854 0.433 9 0 "[ . 1 . 2 ]"
1 105 GLU 15.762 0.424 15 0 "[ . 1 . 2 ]"
1 106 GLN 16.357 0.465 19 0 "[ . 1 . 2 ]"
1 107 GLN 8.470 0.238 14 0 "[ . 1 . 2 ]"
1 108 ALA 19.870 0.524 21 1 "[ . 1 . 2+ ]"
1 109 LEU 16.888 0.593 20 1 "[ . 1 . + ]"
1 110 LEU 18.297 0.688 3 18 "[**+ * *** - ******2****]"
1 111 THR 25.102 0.524 21 1 "[ . 1 . 2+ ]"
1 112 LEU 13.416 0.593 20 2 "[ . 1 -. + ]"
1 113 GLY 16.929 0.688 3 18 "[**+ * *** - ******2****]"
1 114 VAL 23.945 0.776 16 10 "[ * *. * 1* * .+* 2** -]"
1 115 ALA 6.173 0.776 16 3 "[ . 1* .+* 2 ]"
1 116 SER 0.424 0.094 14 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 2 LEU HA . . 4.290 4.583 4.399 4.943 0.653 23 4 "[ . 1* - . 2* + ]" 1
2 1 2 LEU H 1 3 GLY H . . 4.300 4.274 3.941 4.640 0.340 24 0 "[ . 1 . 2 ]" 1
3 1 2 LEU HA 1 2 LEU HG . . 2.900 2.917 2.553 3.127 0.227 8 0 "[ . 1 . 2 ]" 1
4 1 2 LEU HA 1 3 GLY H . . 2.800 2.253 2.208 2.287 . 0 0 "[ . 1 . 2 ]" 1
5 1 2 LEU HA 1 18 THR H . . 4.420 4.756 4.477 4.907 0.487 9 0 "[ . 1 . 2 ]" 1
6 1 2 LEU HA 1 19 GLY QA . . 2.380 1.566 1.377 1.664 . 0 0 "[ . 1 . 2 ]" 1
7 1 2 LEU HA 1 20 GLU H . . 3.270 3.001 2.683 3.297 0.027 7 0 "[ . 1 . 2 ]" 1
8 1 2 LEU HA 1 25 THR HA . . 6.500 6.437 5.964 6.688 0.188 9 0 "[ . 1 . 2 ]" 1
9 1 2 LEU HA 1 25 THR HB . . 4.880 4.882 4.311 5.059 0.179 8 0 "[ . 1 . 2 ]" 1
10 1 2 LEU HB3 1 3 GLY H . . 4.290 4.269 4.178 4.317 0.027 9 0 "[ . 1 . 2 ]" 1
11 1 2 LEU HB3 1 25 THR HA . . 4.290 4.163 3.668 4.692 0.402 23 0 "[ . 1 . 2 ]" 1
12 1 2 LEU QD 1 3 GLY H . . 3.980 2.888 2.423 3.335 . 0 0 "[ . 1 . 2 ]" 1
13 1 2 LEU QD 1 19 GLY H . . 6.890 3.963 3.159 5.403 . 0 0 "[ . 1 . 2 ]" 1
14 1 2 LEU QD 1 20 GLU H . . 6.890 2.104 1.681 3.310 . 0 0 "[ . 1 . 2 ]" 1
15 1 2 LEU QD 1 25 THR HA . . 4.560 2.114 1.761 2.663 . 0 0 "[ . 1 . 2 ]" 1
16 1 2 LEU QD 1 25 THR HB . . 7.290 1.734 1.653 1.876 . 0 0 "[ . 1 . 2 ]" 1
17 1 2 LEU MD1 1 3 GLY H . . 4.980 3.186 2.437 4.218 . 0 0 "[ . 1 . 2 ]" 1
18 1 2 LEU MD1 1 25 THR HA . . 5.070 3.257 1.764 4.044 . 0 0 "[ . 1 . 2 ]" 1
19 1 2 LEU MD2 1 3 GLY H . . 4.980 3.932 2.718 4.301 . 0 0 "[ . 1 . 2 ]" 1
20 1 2 LEU MD2 1 25 THR HA . . 5.070 2.552 1.776 4.006 . 0 0 "[ . 1 . 2 ]" 1
21 1 2 LEU HG 1 3 GLY H . . 4.170 2.546 2.234 2.704 . 0 0 "[ . 1 . 2 ]" 1
22 1 2 LEU HG 1 18 THR H . . 4.170 4.111 3.259 4.469 0.299 11 0 "[ . 1 . 2 ]" 1
23 1 3 GLY H 1 4 ILE H . . 4.300 4.244 3.410 4.454 0.154 14 0 "[ . 1 . 2 ]" 1
24 1 3 GLY H 1 17 LEU HA . . 4.450 4.545 4.160 4.749 0.299 10 0 "[ . 1 . 2 ]" 1
25 1 3 GLY H 1 18 THR H . . 3.390 2.687 2.493 2.856 . 0 0 "[ . 1 . 2 ]" 1
26 1 3 GLY H 1 18 THR HB . . 4.660 4.131 3.779 4.430 . 0 0 "[ . 1 . 2 ]" 1
27 1 3 GLY H 1 18 THR MG . . 6.190 4.825 4.713 4.926 . 0 0 "[ . 1 . 2 ]" 1
28 1 3 GLY H 1 19 GLY H . . 4.000 4.073 3.903 4.242 0.242 23 0 "[ . 1 . 2 ]" 1
29 1 3 GLY H 1 19 GLY QA . . 3.180 2.751 2.612 2.908 . 0 0 "[ . 1 . 2 ]" 1
30 1 3 GLY QA 1 4 ILE H . . 3.120 2.285 2.211 2.394 . 0 0 "[ . 1 . 2 ]" 1
31 1 3 GLY QA 1 4 ILE HA . . 4.240 3.998 3.968 4.125 . 0 0 "[ . 1 . 2 ]" 1
32 1 3 GLY QA 1 18 THR H . . 4.400 2.738 2.081 3.088 . 0 0 "[ . 1 . 2 ]" 1
33 1 3 GLY QA 1 18 THR HB . . 4.640 3.815 3.579 4.041 . 0 0 "[ . 1 . 2 ]" 1
34 1 3 GLY QA 1 18 THR MG . . 6.880 4.235 4.079 4.423 . 0 0 "[ . 1 . 2 ]" 1
35 1 4 ILE H 1 4 ILE HA . . 2.430 2.750 2.701 2.835 0.405 11 0 "[ . 1 . 2 ]" 1
36 1 4 ILE H 1 4 ILE HB . . 3.270 3.278 2.739 3.330 0.060 18 0 "[ . 1 . 2 ]" 1
37 1 4 ILE H 1 4 ILE MD . . 4.610 4.020 3.976 4.072 . 0 0 "[ . 1 . 2 ]" 1
38 1 4 ILE H 1 17 LEU HA . . 4.260 3.819 3.128 4.311 0.051 10 0 "[ . 1 . 2 ]" 1
39 1 4 ILE HA 1 4 ILE HB . . 2.830 2.661 2.332 2.713 . 0 0 "[ . 1 . 2 ]" 1
40 1 4 ILE HA 1 4 ILE MD . . 4.020 1.787 1.743 1.868 . 0 0 "[ . 1 . 2 ]" 1
41 1 4 ILE HA 1 5 ASP H . . 2.550 2.232 2.206 2.345 . 0 0 "[ . 1 . 2 ]" 1
42 1 4 ILE HA 1 17 LEU HA . . 2.480 2.213 1.786 2.466 . 0 0 "[ . 1 . 2 ]" 1
43 1 4 ILE HB 1 5 ASP H . . 4.500 4.397 3.862 4.458 . 0 0 "[ . 1 . 2 ]" 1
44 1 4 ILE MD 1 5 ASP H . . 4.170 1.711 1.649 1.777 . 0 0 "[ . 1 . 2 ]" 1
45 1 4 ILE MD 1 5 ASP HA . . 5.750 3.389 3.251 3.871 . 0 0 "[ . 1 . 2 ]" 1
46 1 4 ILE MD 1 6 MET H . . 6.220 4.423 4.186 4.853 . 0 0 "[ . 1 . 2 ]" 1
47 1 4 ILE MD 1 16 ARG H . . 5.080 3.781 3.543 3.978 . 0 0 "[ . 1 . 2 ]" 1
48 1 4 ILE MD 1 16 ARG HA . . 6.090 4.796 4.413 5.043 . 0 0 "[ . 1 . 2 ]" 1
49 1 4 ILE MD 1 17 LEU HA . . 3.800 2.874 2.548 3.019 . 0 0 "[ . 1 . 2 ]" 1
50 1 4 ILE MG 1 5 ASP H . . 4.700 3.428 3.168 3.969 . 0 0 "[ . 1 . 2 ]" 1
51 1 5 ASP H 1 5 ASP HB3 . . 3.330 3.226 2.893 3.331 0.001 23 0 "[ . 1 . 2 ]" 1
52 1 5 ASP H 1 6 MET H . . 4.300 4.342 4.268 4.442 0.142 10 0 "[ . 1 . 2 ]" 1
53 1 5 ASP H 1 15 ILE HA . . 3.540 3.977 3.805 4.111 0.571 18 4 "[ . 1 .*-+ * ]" 1
54 1 5 ASP H 1 16 ARG H . . 3.360 3.116 2.894 3.389 0.029 11 0 "[ . 1 . 2 ]" 1
55 1 5 ASP H 1 17 LEU HA . . 3.250 3.323 3.050 3.467 0.217 10 0 "[ . 1 . 2 ]" 1
56 1 5 ASP HA 1 6 MET H . . 2.590 2.407 2.334 2.627 0.037 3 0 "[ . 1 . 2 ]" 1
57 1 5 ASP HA 1 16 ARG H . . 4.570 4.319 4.202 4.428 . 0 0 "[ . 1 . 2 ]" 1
58 1 5 ASP HA 1 16 ARG HB3 . . 5.000 4.875 4.651 5.155 0.155 22 0 "[ . 1 . 2 ]" 1
59 1 5 ASP HB3 1 6 MET H . . 4.480 3.317 2.891 3.538 . 0 0 "[ . 1 . 2 ]" 1
60 1 5 ASP HB3 1 16 ARG H . . 4.970 2.234 1.861 2.505 . 0 0 "[ . 1 . 2 ]" 1
61 1 5 ASP HB3 1 16 ARG HA . . 5.000 4.181 3.698 4.419 . 0 0 "[ . 1 . 2 ]" 1
62 1 6 MET H 1 6 MET HG3 . . 5.070 3.464 2.911 4.559 . 0 0 "[ . 1 . 2 ]" 1
63 1 6 MET H 1 7 ASN H . . 4.300 4.319 4.199 4.402 0.102 17 0 "[ . 1 . 2 ]" 1
64 1 6 MET HA 1 6 MET HG3 . . 2.900 2.766 2.656 2.930 0.030 20 0 "[ . 1 . 2 ]" 1
65 1 6 MET HA 1 7 ASN H . . 2.460 2.258 2.242 2.304 . 0 0 "[ . 1 . 2 ]" 1
66 1 6 MET HA 1 14 CYS H . . 4.500 4.652 4.578 4.736 0.236 24 0 "[ . 1 . 2 ]" 1
67 1 6 MET HA 1 15 ILE HA . . 2.300 2.445 2.319 2.565 0.265 18 0 "[ . 1 . 2 ]" 1
68 1 6 MET HA 1 15 ILE MD . . 3.430 2.409 1.963 2.608 . 0 0 "[ . 1 . 2 ]" 1
69 1 6 MET HA 1 16 ARG H . . 3.220 3.371 3.235 3.504 0.284 14 0 "[ . 1 . 2 ]" 1
70 1 6 MET HB3 1 7 ASN H . . 4.610 3.230 2.993 3.615 . 0 0 "[ . 1 . 2 ]" 1
71 1 6 MET HG3 1 15 ILE HA . . 3.580 3.571 3.379 3.662 0.082 3 0 "[ . 1 . 2 ]" 1
72 1 6 MET HG3 1 16 ARG H . . 5.000 4.594 4.277 5.192 0.192 20 0 "[ . 1 . 2 ]" 1
73 1 7 ASN H 1 8 VAL H . . 4.300 4.393 4.317 4.426 0.126 5 0 "[ . 1 . 2 ]" 1
74 1 7 ASN H 1 13 LEU HA . . 3.790 3.735 3.430 3.905 0.115 18 0 "[ . 1 . 2 ]" 1
75 1 7 ASN H 1 14 CYS H . . 3.310 2.665 2.581 2.754 . 0 0 "[ . 1 . 2 ]" 1
76 1 7 ASN H 1 14 CYS HB3 . . 4.820 4.460 4.185 4.857 0.037 10 0 "[ . 1 . 2 ]" 1
77 1 7 ASN H 1 15 ILE HA . . 3.350 3.885 3.761 3.997 0.647 18 19 "[*** *****1 *-*.**+***** ]" 1
78 1 7 ASN H 1 16 ARG H . . 5.000 4.797 4.612 5.033 0.033 10 0 "[ . 1 . 2 ]" 1
79 1 7 ASN HA 1 7 ASN HD22 . . 5.310 3.754 3.477 3.848 . 0 0 "[ . 1 . 2 ]" 1
80 1 7 ASN HA 1 8 VAL H . . 2.400 2.499 2.332 2.664 0.264 10 0 "[ . 1 . 2 ]" 1
81 1 7 ASN HA 1 8 VAL HB . . 3.800 3.989 3.944 4.062 0.262 22 0 "[ . 1 . 2 ]" 1
82 1 7 ASN QD 1 8 VAL H . . 5.870 2.263 1.806 2.638 . 0 0 "[ . 1 . 2 ]" 1
83 1 7 ASN QD 1 9 LYS HA . . 5.870 5.044 4.939 5.125 . 0 0 "[ . 1 . 2 ]" 1
84 1 8 VAL H 1 8 VAL HA . . 2.930 2.932 2.905 2.941 0.011 23 0 "[ . 1 . 2 ]" 1
85 1 8 VAL H 1 8 VAL HB . . 2.620 2.556 2.400 2.698 0.078 10 0 "[ . 1 . 2 ]" 1
86 1 8 VAL H 1 8 VAL MG1 . . 4.390 2.972 2.730 3.326 . 0 0 "[ . 1 . 2 ]" 1
87 1 8 VAL H 1 8 VAL QG . . 3.870 2.860 2.668 3.102 . 0 0 "[ . 1 . 2 ]" 1
88 1 8 VAL H 1 8 VAL MG2 . . 4.390 3.759 3.706 3.800 . 0 0 "[ . 1 . 2 ]" 1
89 1 8 VAL H 1 9 LYS H . . 4.300 4.410 4.279 4.514 0.214 8 0 "[ . 1 . 2 ]" 1
90 1 8 VAL H 1 13 LEU HA . . 4.450 4.502 4.029 4.676 0.226 21 0 "[ . 1 . 2 ]" 1
91 1 8 VAL HA 1 9 LYS H . . 2.590 2.266 2.215 2.337 . 0 0 "[ . 1 . 2 ]" 1
92 1 8 VAL HA 1 13 LEU HA . . 2.300 2.290 2.003 2.421 0.121 21 0 "[ . 1 . 2 ]" 1
93 1 8 VAL HA 1 14 CYS H . . 3.280 3.177 3.038 3.495 0.215 3 0 "[ . 1 . 2 ]" 1
94 1 8 VAL HB 1 9 LYS H . . 4.860 4.402 4.289 4.499 . 0 0 "[ . 1 . 2 ]" 1
95 1 8 VAL QG 1 9 LYS H . . 4.520 2.558 2.352 2.749 . 0 0 "[ . 1 . 2 ]" 1
96 1 8 VAL QG 1 9 LYS HA . . 5.950 3.104 2.992 3.199 . 0 0 "[ . 1 . 2 ]" 1
97 1 8 VAL QG 1 10 GLU H . . 5.390 3.327 3.258 3.472 . 0 0 "[ . 1 . 2 ]" 1
98 1 8 VAL MG1 1 9 LYS H . . 4.980 2.902 2.598 3.212 . 0 0 "[ . 1 . 2 ]" 1
99 1 8 VAL MG2 1 9 LYS H . . 4.980 2.888 2.506 3.273 . 0 0 "[ . 1 . 2 ]" 1
100 1 9 LYS H 1 9 LYS HB3 . . 4.110 3.900 3.762 3.954 . 0 0 "[ . 1 . 2 ]" 1
101 1 9 LYS H 1 11 SER H . . 3.800 2.543 2.449 2.640 . 0 0 "[ . 1 . 2 ]" 1
102 1 9 LYS H 1 12 VAL H . . 5.000 2.400 2.289 2.490 . 0 0 "[ . 1 . 2 ]" 1
103 1 9 LYS H 1 12 VAL HB . . 5.000 4.385 4.145 4.572 . 0 0 "[ . 1 . 2 ]" 1
104 1 9 LYS H 1 12 VAL QG . . 6.100 2.113 1.899 2.344 . 0 0 "[ . 1 . 2 ]" 1
105 1 9 LYS H 1 13 LEU H . . 5.000 4.780 4.602 4.954 . 0 0 "[ . 1 . 2 ]" 1
106 1 9 LYS H 1 13 LEU HA . . 3.980 3.901 3.671 4.054 0.074 24 0 "[ . 1 . 2 ]" 1
107 1 9 LYS H 1 14 CYS H . . 5.070 4.588 4.385 4.803 . 0 0 "[ . 1 . 2 ]" 1
108 1 9 LYS HA 1 9 LYS HB3 . . 2.930 2.314 2.232 2.707 . 0 0 "[ . 1 . 2 ]" 1
109 1 9 LYS HA 1 10 GLU H . . 2.520 2.197 2.188 2.202 . 0 0 "[ . 1 . 2 ]" 1
110 1 9 LYS HA 1 10 GLU HA . . 4.500 4.302 4.296 4.306 . 0 0 "[ . 1 . 2 ]" 1
111 1 9 LYS HA 1 10 GLU HB3 . . 4.230 4.377 4.359 4.401 0.171 7 0 "[ . 1 . 2 ]" 1
112 1 9 LYS HA 1 11 SER H . . 3.600 3.709 3.662 3.747 0.147 17 0 "[ . 1 . 2 ]" 1
113 1 9 LYS HA 1 12 VAL H . . 4.000 4.278 4.204 4.382 0.382 8 0 "[ . 1 . 2 ]" 1
114 1 9 LYS HB3 1 10 GLU H . . 3.860 3.955 3.819 4.004 0.144 4 0 "[ . 1 . 2 ]" 1
115 1 10 GLU H 1 10 GLU HA . . 2.600 2.171 2.169 2.172 . 0 0 "[ . 1 . 2 ]" 1
116 1 10 GLU H 1 10 GLU HG3 . . 5.000 4.557 4.547 4.564 . 0 0 "[ . 1 . 2 ]" 1
117 1 10 GLU H 1 11 SER H . . 2.800 3.156 3.109 3.192 0.392 17 0 "[ . 1 . 2 ]" 1
118 1 10 GLU H 1 12 VAL H . . 3.800 4.335 4.294 4.385 0.585 16 22 "[*** -**********+****** *]" 1
119 1 10 GLU H 1 12 VAL QG . . 6.560 4.368 4.275 4.453 . 0 0 "[ . 1 . 2 ]" 1
120 1 10 GLU H 1 115 ALA MB . . 6.530 5.539 5.405 5.743 . 0 0 "[ . 1 . 2 ]" 1
121 1 10 GLU HA 1 10 GLU HG3 . . 3.730 2.663 2.653 2.675 . 0 0 "[ . 1 . 2 ]" 1
122 1 10 GLU HA 1 11 SER H . . 3.400 3.531 3.516 3.543 0.143 17 0 "[ . 1 . 2 ]" 1
123 1 10 GLU HA 1 12 VAL H . . 4.400 4.874 4.860 4.884 0.484 17 0 "[ . 1 . 2 ]" 1
124 1 10 GLU HB3 1 11 SER H . . 5.000 3.108 3.058 3.165 . 0 0 "[ . 1 . 2 ]" 1
125 1 10 GLU HG3 1 11 SER H . . 4.140 4.215 4.183 4.243 0.103 8 0 "[ . 1 . 2 ]" 1
126 1 11 SER H 1 11 SER HA . . 2.830 2.636 2.599 2.657 . 0 0 "[ . 1 . 2 ]" 1
127 1 11 SER H 1 11 SER HB3 . . 4.000 4.004 3.968 4.027 0.027 20 0 "[ . 1 . 2 ]" 1
128 1 11 SER H 1 12 VAL H . . 2.400 1.474 1.433 1.552 . 0 0 "[ . 1 . 2 ]" 1
129 1 11 SER H 1 12 VAL QG . . 5.790 2.927 2.857 3.005 . 0 0 "[ . 1 . 2 ]" 1
130 1 11 SER H 1 44 HIS H . . 5.000 4.802 4.722 4.894 . 0 0 "[ . 1 . 2 ]" 1
131 1 11 SER HA 1 12 VAL H . . 3.260 3.342 3.289 3.368 0.108 1 0 "[ . 1 . 2 ]" 1
132 1 11 SER HB3 1 43 ARG H . . 5.000 5.413 5.291 5.497 0.497 24 0 "[ . 1 . 2 ]" 1
133 1 11 SER HB3 1 44 HIS HD2 . . 5.000 4.879 4.225 5.050 0.050 2 0 "[ . 1 . 2 ]" 1
134 1 12 VAL H 1 12 VAL HA . . 2.900 2.902 2.887 2.917 0.017 23 0 "[ . 1 . 2 ]" 1
135 1 12 VAL H 1 12 VAL HB . . 2.710 2.583 2.511 2.664 . 0 0 "[ . 1 . 2 ]" 1
136 1 12 VAL H 1 12 VAL MG1 . . 4.050 2.038 1.990 2.090 . 0 0 "[ . 1 . 2 ]" 1
137 1 12 VAL H 1 12 VAL QG . . 3.410 2.030 1.982 2.081 . 0 0 "[ . 1 . 2 ]" 1
138 1 12 VAL H 1 12 VAL MG2 . . 4.050 3.761 3.742 3.784 . 0 0 "[ . 1 . 2 ]" 1
139 1 12 VAL H 1 13 LEU H . . 4.350 4.479 4.427 4.528 0.178 6 0 "[ . 1 . 2 ]" 1
140 1 12 VAL HA 1 12 VAL HB . . 2.400 2.496 2.433 2.526 0.126 24 0 "[ . 1 . 2 ]" 1
141 1 12 VAL HA 1 13 LEU H . . 2.860 2.187 2.182 2.195 . 0 0 "[ . 1 . 2 ]" 1
142 1 12 VAL HA 1 44 HIS H . . 3.040 2.104 1.913 2.269 . 0 0 "[ . 1 . 2 ]" 1
143 1 12 VAL HA 1 44 HIS HB3 . . 5.040 3.010 2.838 3.200 . 0 0 "[ . 1 . 2 ]" 1
144 1 12 VAL HA 1 44 HIS HD2 . . 4.910 4.363 3.998 4.614 . 0 0 "[ . 1 . 2 ]" 1
145 1 12 VAL HA 1 45 ILE H . . 3.600 4.056 3.965 4.152 0.552 3 5 "[ +** * . 2 - ]" 1
146 1 12 VAL HA 1 45 ILE MG . . 6.120 4.850 4.713 4.995 . 0 0 "[ . 1 . 2 ]" 1
147 1 12 VAL HB 1 13 LEU H . . 4.420 4.407 4.320 4.454 0.034 20 0 "[ . 1 . 2 ]" 1
148 1 12 VAL HB 1 112 LEU QD . . 5.930 3.594 2.016 4.473 . 0 0 "[ . 1 . 2 ]" 1
149 1 12 VAL QG 1 44 HIS HD2 . . 5.110 3.933 3.833 4.000 . 0 0 "[ . 1 . 2 ]" 1
150 1 12 VAL QG 1 45 ILE HA . . 5.190 3.108 2.889 3.295 . 0 0 "[ . 1 . 2 ]" 1
151 1 12 VAL QG 1 45 ILE MD . . 9.120 2.922 2.720 3.140 . 0 0 "[ . 1 . 2 ]" 1
152 1 12 VAL QG 1 45 ILE MG . . 8.840 4.128 3.894 4.304 . 0 0 "[ . 1 . 2 ]" 1
153 1 12 VAL QG 1 112 LEU HA . . 6.850 4.358 4.054 4.690 . 0 0 "[ . 1 . 2 ]" 1
154 1 12 VAL MG1 1 44 HIS HB3 . . 6.530 4.279 4.107 4.414 . 0 0 "[ . 1 . 2 ]" 1
155 1 12 VAL MG1 1 45 ILE HA . . 6.530 5.336 5.149 5.442 . 0 0 "[ . 1 . 2 ]" 1
156 1 12 VAL MG2 1 44 HIS HB3 . . 6.530 2.080 1.916 2.532 . 0 0 "[ . 1 . 2 ]" 1
157 1 12 VAL MG2 1 45 ILE HA . . 6.530 3.129 2.900 3.323 . 0 0 "[ . 1 . 2 ]" 1
158 1 13 LEU H 1 13 LEU HB3 . . 3.270 3.421 3.112 3.525 0.255 8 0 "[ . 1 . 2 ]" 1
159 1 13 LEU H 1 13 LEU MD1 . . 4.300 2.076 1.761 2.361 . 0 0 "[ . 1 . 2 ]" 1
160 1 13 LEU H 1 13 LEU QD . . 3.740 1.968 1.555 2.326 . 0 0 "[ . 1 . 2 ]" 1
161 1 13 LEU H 1 13 LEU MD2 . . 4.300 2.733 1.704 3.570 . 0 0 "[ . 1 . 2 ]" 1
162 1 13 LEU H 1 14 CYS H . . 4.300 4.239 4.151 4.357 0.057 10 0 "[ . 1 . 2 ]" 1
163 1 13 LEU H 1 44 HIS H . . 4.070 3.092 2.806 3.444 . 0 0 "[ . 1 . 2 ]" 1
164 1 13 LEU H 1 45 ILE HA . . 3.020 2.757 2.461 3.028 0.008 23 0 "[ . 1 . 2 ]" 1
165 1 13 LEU H 1 45 ILE MG . . 6.370 4.118 3.688 4.536 . 0 0 "[ . 1 . 2 ]" 1
166 1 13 LEU H 1 46 VAL H . . 4.030 4.329 4.191 4.459 0.429 23 0 "[ . 1 . 2 ]" 1
167 1 13 LEU HA 1 14 CYS H . . 2.220 2.209 2.178 2.234 0.014 2 0 "[ . 1 . 2 ]" 1
168 1 13 LEU HB3 1 14 CYS H . . 4.110 4.113 3.898 4.353 0.243 20 0 "[ . 1 . 2 ]" 1
169 1 13 LEU QD 1 44 HIS H . . 3.940 2.674 1.989 3.116 . 0 0 "[ . 1 . 2 ]" 1
170 1 13 LEU MD1 1 44 HIS H . . 4.480 2.802 2.020 3.321 . 0 0 "[ . 1 . 2 ]" 1
171 1 13 LEU MD2 1 44 HIS H . . 4.480 3.571 2.984 3.826 . 0 0 "[ . 1 . 2 ]" 1
172 1 14 CYS H 1 14 CYS HB3 . . 3.450 3.530 3.510 3.552 0.102 10 0 "[ . 1 . 2 ]" 1
173 1 14 CYS H 1 46 VAL HB . . 3.330 3.447 3.393 3.514 0.184 23 0 "[ . 1 . 2 ]" 1
174 1 14 CYS HA 1 15 ILE H . . 2.220 2.262 2.229 2.329 0.109 18 0 "[ . 1 . 2 ]" 1
175 1 14 CYS HA 1 46 VAL H . . 3.000 3.064 2.926 3.196 0.196 23 0 "[ . 1 . 2 ]" 1
176 1 14 CYS HA 1 46 VAL HB . . 2.400 1.953 1.834 2.075 . 0 0 "[ . 1 . 2 ]" 1
177 1 14 CYS HA 1 46 VAL QG . . 7.470 1.751 1.658 1.813 . 0 0 "[ . 1 . 2 ]" 1
178 1 14 CYS HA 1 47 LEU H . . 4.250 4.856 4.796 4.935 0.685 21 24 [**-*****************+***] 1
179 1 14 CYS HB3 1 15 ILE H . . 3.890 3.347 3.095 3.528 . 0 0 "[ . 1 . 2 ]" 1
180 1 14 CYS HB3 1 46 VAL MG1 . . 7.630 1.606 1.568 1.644 . 0 0 "[ . 1 . 2 ]" 1
181 1 14 CYS HB3 1 46 VAL MG2 . . 7.630 3.972 3.897 4.060 . 0 0 "[ . 1 . 2 ]" 1
182 1 15 ILE H 1 15 ILE HB . . 2.990 2.447 2.346 2.609 . 0 0 "[ . 1 . 2 ]" 1
183 1 15 ILE H 1 15 ILE MD . . 4.730 2.911 2.534 4.187 . 0 0 "[ . 1 . 2 ]" 1
184 1 15 ILE H 1 15 ILE MG . . 4.700 3.504 3.428 3.697 . 0 0 "[ . 1 . 2 ]" 1
185 1 15 ILE H 1 16 ARG H . . 4.300 3.947 3.728 4.093 . 0 0 "[ . 1 . 2 ]" 1
186 1 15 ILE H 1 46 VAL H . . 4.060 3.546 3.238 3.988 . 0 0 "[ . 1 . 2 ]" 1
187 1 15 ILE H 1 46 VAL HB . . 3.830 3.944 3.824 4.061 0.231 20 0 "[ . 1 . 2 ]" 1
188 1 15 ILE H 1 47 LEU HA . . 3.090 2.760 2.611 2.955 . 0 0 "[ . 1 . 2 ]" 1
189 1 15 ILE H 1 48 ASN H . . 4.010 4.280 4.162 4.362 0.352 9 0 "[ . 1 . 2 ]" 1
190 1 15 ILE HA 1 16 ARG H . . 2.270 2.239 2.202 2.287 0.017 17 0 "[ . 1 . 2 ]" 1
191 1 15 ILE HB 1 48 ASN H . . 4.630 4.758 4.411 4.892 0.262 16 0 "[ . 1 . 2 ]" 1
192 1 15 ILE MG 1 16 ARG H . . 4.140 3.444 3.287 3.550 . 0 0 "[ . 1 . 2 ]" 1
193 1 15 ILE MG 1 47 LEU HA . . 4.020 3.122 3.009 3.272 . 0 0 "[ . 1 . 2 ]" 1
194 1 15 ILE MG 1 48 ASN H . . 4.790 3.639 3.428 3.850 . 0 0 "[ . 1 . 2 ]" 1
195 1 16 ARG H 1 16 ARG HB3 . . 3.210 3.176 3.100 3.310 0.100 22 0 "[ . 1 . 2 ]" 1
196 1 16 ARG H 1 17 LEU H . . 4.290 4.276 4.136 4.439 0.149 10 0 "[ . 1 . 2 ]" 1
197 1 16 ARG HA 1 16 ARG HG3 . . 3.300 1.992 1.977 2.070 . 0 0 "[ . 1 . 2 ]" 1
198 1 16 ARG HA 1 17 LEU H . . 2.240 2.248 2.227 2.280 0.040 24 0 "[ . 1 . 2 ]" 1
199 1 16 ARG HA 1 48 ASN H . . 3.050 3.359 3.195 3.533 0.483 24 0 "[ . 1 . 2 ]" 1
200 1 16 ARG HA 1 48 ASN HA . . 5.000 5.059 4.947 5.184 0.184 24 0 "[ . 1 . 2 ]" 1
201 1 16 ARG HA 1 48 ASN HB3 . . 5.000 4.487 3.325 5.197 0.197 5 0 "[ . 1 . 2 ]" 1
202 1 16 ARG HA 1 48 ASN QD . . 5.560 3.790 1.883 5.011 . 0 0 "[ . 1 . 2 ]" 1
203 1 17 LEU H 1 17 LEU HB3 . . 3.580 3.012 2.233 3.665 0.085 10 0 "[ . 1 . 2 ]" 1
204 1 17 LEU H 1 17 LEU MD1 . . 5.100 3.688 1.722 4.334 . 0 0 "[ . 1 . 2 ]" 1
205 1 17 LEU H 1 17 LEU QD . . 4.410 3.021 1.718 3.652 . 0 0 "[ . 1 . 2 ]" 1
206 1 17 LEU H 1 17 LEU MD2 . . 5.100 3.590 1.819 4.496 . 0 0 "[ . 1 . 2 ]" 1
207 1 17 LEU H 1 18 THR H . . 4.320 4.486 4.436 4.546 0.226 23 0 "[ . 1 . 2 ]" 1
208 1 17 LEU H 1 48 ASN H . . 4.020 3.731 3.512 4.041 0.021 22 0 "[ . 1 . 2 ]" 1
209 1 17 LEU H 1 49 LEU HA . . 3.000 2.944 2.470 3.175 0.175 22 0 "[ . 1 . 2 ]" 1
210 1 17 LEU H 1 50 GLU H . . 4.020 4.403 4.163 4.627 0.607 23 8 "[ .*** 1 *.**- 2 + ]" 1
211 1 17 LEU HA 1 18 THR H . . 2.220 2.211 2.186 2.247 0.027 3 0 "[ . 1 . 2 ]" 1
212 1 17 LEU HA 1 18 THR MG . . 4.700 3.950 3.830 4.122 . 0 0 "[ . 1 . 2 ]" 1
213 1 17 LEU QD 1 18 THR H . . 4.900 2.748 1.842 3.742 . 0 0 "[ . 1 . 2 ]" 1
214 1 17 LEU MD1 1 18 THR H . . 6.000 3.660 1.886 5.137 . 0 0 "[ . 1 . 2 ]" 1
215 1 17 LEU MD2 1 18 THR H . . 6.000 3.589 1.857 4.931 . 0 0 "[ . 1 . 2 ]" 1
216 1 18 THR H 1 18 THR HB . . 3.480 3.614 3.553 3.643 0.163 14 0 "[ . 1 . 2 ]" 1
217 1 18 THR H 1 19 GLY H . . 4.300 4.184 4.127 4.275 . 0 0 "[ . 1 . 2 ]" 1
218 1 18 THR H 1 49 LEU HA . . 5.500 5.557 5.375 5.748 0.248 22 0 "[ . 1 . 2 ]" 1
219 1 18 THR HA 1 18 THR HB . . 2.650 2.672 2.653 2.709 0.059 2 0 "[ . 1 . 2 ]" 1
220 1 18 THR HA 1 18 THR MG . . 3.430 2.266 2.151 2.350 . 0 0 "[ . 1 . 2 ]" 1
221 1 18 THR HA 1 19 GLY H . . 2.280 2.152 2.150 2.159 . 0 0 "[ . 1 . 2 ]" 1
222 1 18 THR HA 1 49 LEU HA . . 4.390 4.361 4.183 4.518 0.128 10 0 "[ . 1 . 2 ]" 1
223 1 18 THR HA 1 51 ASP H . . 3.920 2.621 2.362 2.789 . 0 0 "[ . 1 . 2 ]" 1
224 1 18 THR HA 1 51 ASP HB3 . . 5.000 1.801 1.604 2.116 . 0 0 "[ . 1 . 2 ]" 1
225 1 18 THR HB 1 19 GLY H . . 3.450 3.782 3.715 3.863 0.413 11 0 "[ . 1 . 2 ]" 1
226 1 18 THR HB 1 51 ASP HB3 . . 5.000 2.873 2.550 3.170 . 0 0 "[ . 1 . 2 ]" 1
227 1 18 THR MG 1 19 GLY H . . 4.920 3.963 3.831 4.019 . 0 0 "[ . 1 . 2 ]" 1
228 1 18 THR MG 1 51 ASP H . . 5.810 2.512 2.090 2.715 . 0 0 "[ . 1 . 2 ]" 1
229 1 18 THR MG 1 51 ASP HA . . 5.290 4.098 3.802 4.375 . 0 0 "[ . 1 . 2 ]" 1
230 1 18 THR MG 1 51 ASP HB3 . . 3.490 2.829 2.693 2.989 . 0 0 "[ . 1 . 2 ]" 1
231 1 19 GLY H 1 20 GLU H . . 4.300 4.007 3.809 4.138 . 0 0 "[ . 1 . 2 ]" 1
232 1 19 GLY QA 1 20 GLU H . . 2.510 2.175 2.170 2.215 . 0 0 "[ . 1 . 2 ]" 1
233 1 20 GLU H 1 20 GLU HB3 . . 3.330 3.441 3.360 3.575 0.245 4 0 "[ . 1 . 2 ]" 1
234 1 20 GLU H 1 21 LEU H . . 4.300 4.482 4.395 4.502 0.202 1 0 "[ . 1 . 2 ]" 1
235 1 20 GLU HA 1 20 GLU HB3 . . 2.930 2.812 2.778 2.854 . 0 0 "[ . 1 . 2 ]" 1
236 1 20 GLU HA 1 21 LEU H . . 2.680 2.455 2.391 2.511 . 0 0 "[ . 1 . 2 ]" 1
237 1 20 GLU HA 1 54 PHE H . . 3.300 3.381 2.985 3.593 0.293 20 0 "[ . 1 . 2 ]" 1
238 1 20 GLU HA 1 55 MET H . . 3.480 3.417 2.954 3.734 0.254 10 0 "[ . 1 . 2 ]" 1
239 1 20 GLU HB3 1 21 LEU H . . 3.920 2.786 2.654 2.910 . 0 0 "[ . 1 . 2 ]" 1
240 1 21 LEU H 1 21 LEU HA . . 2.830 2.938 2.935 2.940 0.110 2 0 "[ . 1 . 2 ]" 1
241 1 21 LEU H 1 21 LEU HB3 . . 3.360 3.194 2.477 3.592 0.232 15 0 "[ . 1 . 2 ]" 1
242 1 21 LEU H 1 21 LEU MD1 . . 4.670 3.865 3.144 4.270 . 0 0 "[ . 1 . 2 ]" 1
243 1 21 LEU H 1 21 LEU QD . . 4.140 3.225 2.741 3.642 . 0 0 "[ . 1 . 2 ]" 1
244 1 21 LEU H 1 21 LEU MD2 . . 4.670 3.561 2.804 4.121 . 0 0 "[ . 1 . 2 ]" 1
245 1 21 LEU H 1 52 LEU QD . . 5.710 4.044 3.849 4.409 . 0 0 "[ . 1 . 2 ]" 1
246 1 21 LEU H 1 54 PHE H . . 3.890 3.946 3.416 4.164 0.274 11 0 "[ . 1 . 2 ]" 1
247 1 21 LEU H 1 55 MET H . . 3.700 1.868 1.803 2.021 . 0 0 "[ . 1 . 2 ]" 1
248 1 21 LEU H 1 55 MET HA . . 2.990 2.755 2.211 3.074 0.084 10 0 "[ . 1 . 2 ]" 1
249 1 21 LEU HA 1 22 ASP H . . 2.490 2.297 2.202 2.362 . 0 0 "[ . 1 . 2 ]" 1
250 1 21 LEU QD 1 22 ASP H . . 5.260 3.174 2.649 3.541 . 0 0 "[ . 1 . 2 ]" 1
251 1 21 LEU QD 1 55 MET H . . 6.300 3.841 3.470 4.464 . 0 0 "[ . 1 . 2 ]" 1
252 1 21 LEU QD 1 56 ASP H . . 6.800 4.120 1.930 5.115 . 0 0 "[ . 1 . 2 ]" 1
253 1 21 LEU MD1 1 22 ASP H . . 6.340 3.707 2.665 5.447 . 0 0 "[ . 1 . 2 ]" 1
254 1 21 LEU MD2 1 22 ASP H . . 6.340 4.368 2.762 5.484 . 0 0 "[ . 1 . 2 ]" 1
255 1 22 ASP H 1 24 HIS H . . 3.920 3.881 3.697 4.041 0.121 5 0 "[ . 1 . 2 ]" 1
256 1 22 ASP H 1 25 THR H . . 4.230 2.497 2.371 2.589 . 0 0 "[ . 1 . 2 ]" 1
257 1 22 ASP H 1 25 THR MG . . 4.360 2.104 1.797 2.971 . 0 0 "[ . 1 . 2 ]" 1
258 1 22 ASP HA 1 23 HIS H . . 3.080 2.604 2.543 2.688 . 0 0 "[ . 1 . 2 ]" 1
259 1 22 ASP HA 1 23 HIS HD2 . . 5.000 5.082 4.854 5.191 0.191 21 0 "[ . 1 . 2 ]" 1
260 1 22 ASP HA 1 24 HIS H . . 4.760 4.058 3.926 4.224 . 0 0 "[ . 1 . 2 ]" 1
261 1 22 ASP HA 1 25 THR H . . 4.540 4.426 4.238 4.542 0.002 13 0 "[ . 1 . 2 ]" 1
262 1 22 ASP HA 1 26 ALA MB . . 3.730 3.688 3.302 3.858 0.128 23 0 "[ . 1 . 2 ]" 1
263 1 22 ASP HA 1 54 PHE QD . . 5.730 3.842 3.097 4.963 . 0 0 "[ . 1 . 2 ]" 1
264 1 22 ASP HA 1 54 PHE QE . . 7.620 2.801 1.979 4.102 . 0 0 "[ . 1 . 2 ]" 1
265 1 22 ASP HA 1 54 PHE HZ . . 5.000 4.622 3.852 5.089 0.089 17 0 "[ . 1 . 2 ]" 1
266 1 22 ASP HA 1 56 ASP H . . 3.640 3.435 2.825 3.695 0.055 15 0 "[ . 1 . 2 ]" 1
267 1 22 ASP HA 1 59 GLY H . . 3.250 3.287 2.871 3.538 0.288 12 0 "[ . 1 . 2 ]" 1
268 1 22 ASP HB3 1 23 HIS H . . 4.140 3.104 2.416 3.878 . 0 0 "[ . 1 . 2 ]" 1
269 1 23 HIS H 1 23 HIS HB3 . . 3.330 2.132 2.110 2.164 . 0 0 "[ . 1 . 2 ]" 1
270 1 23 HIS H 1 23 HIS HD2 . . 3.790 2.930 2.742 3.046 . 0 0 "[ . 1 . 2 ]" 1
271 1 23 HIS H 1 24 HIS H . . 3.080 2.818 2.697 2.884 . 0 0 "[ . 1 . 2 ]" 1
272 1 23 HIS H 1 54 PHE QD . . 7.620 5.783 5.273 6.398 . 0 0 "[ . 1 . 2 ]" 1
273 1 23 HIS H 1 54 PHE QE . . 7.620 4.140 3.768 4.759 . 0 0 "[ . 1 . 2 ]" 1
274 1 23 HIS H 1 58 SER HB3 . . 4.000 1.870 1.775 1.935 . 0 0 "[ . 1 . 2 ]" 1
275 1 23 HIS HA 1 23 HIS HD2 . . 4.820 4.619 4.463 4.675 . 0 0 "[ . 1 . 2 ]" 1
276 1 23 HIS HA 1 24 HIS H . . 3.510 3.502 3.442 3.551 0.041 5 0 "[ . 1 . 2 ]" 1
277 1 23 HIS HA 1 26 ALA H . . 3.410 3.481 3.375 3.705 0.295 11 0 "[ . 1 . 2 ]" 1
278 1 23 HIS HA 1 58 SER HA . . 4.110 4.579 4.366 4.782 0.672 3 9 "[ +-* **1 * * *2* ]" 1
279 1 23 HIS HA 1 59 GLY H . . 4.760 4.862 4.608 4.983 0.223 3 0 "[ . 1 . 2 ]" 1
280 1 23 HIS HB3 1 58 SER HB3 . . 5.000 2.050 1.903 2.281 . 0 0 "[ . 1 . 2 ]" 1
281 1 23 HIS HD2 1 24 HIS H . . 5.000 3.206 2.594 3.438 . 0 0 "[ . 1 . 2 ]" 1
282 1 23 HIS HD2 1 24 HIS HA . . 5.000 4.986 4.642 5.123 0.123 14 0 "[ . 1 . 2 ]" 1
283 1 23 HIS HD2 1 24 HIS HE1 . . 5.570 5.400 4.466 5.895 0.325 12 0 "[ . 1 . 2 ]" 1
284 1 23 HIS HD2 1 54 PHE QE . . 7.620 5.208 4.051 5.809 . 0 0 "[ . 1 . 2 ]" 1
285 1 23 HIS HE1 1 24 HIS HA . . 5.000 4.624 4.368 5.003 0.003 17 0 "[ . 1 . 2 ]" 1
286 1 23 HIS HE1 1 24 HIS HD2 . . 4.040 4.250 4.173 4.344 0.304 19 0 "[ . 1 . 2 ]" 1
287 1 23 HIS HE1 1 24 HIS HE1 . . 3.640 3.565 2.958 3.789 0.149 16 0 "[ . 1 . 2 ]" 1
288 1 24 HIS H 1 24 HIS HB3 . . 3.990 3.483 3.409 3.532 . 0 0 "[ . 1 . 2 ]" 1
289 1 24 HIS H 1 24 HIS HD2 . . 4.690 3.841 2.807 4.926 0.236 22 0 "[ . 1 . 2 ]" 1
290 1 24 HIS H 1 25 THR H . . 2.830 2.481 2.137 2.652 . 0 0 "[ . 1 . 2 ]" 1
291 1 24 HIS H 1 25 THR MG . . 6.530 3.548 3.076 3.893 . 0 0 "[ . 1 . 2 ]" 1
292 1 24 HIS H 1 26 ALA H . . 4.200 3.436 3.111 3.644 . 0 0 "[ . 1 . 2 ]" 1
293 1 24 HIS HA 1 24 HIS HD2 . . 4.350 3.623 2.596 4.454 0.104 19 0 "[ . 1 . 2 ]" 1
294 1 24 HIS HA 1 24 HIS HE1 . . 5.000 5.066 4.632 5.481 0.481 10 0 "[ . 1 . 2 ]" 1
295 1 24 HIS HA 1 25 THR H . . 3.530 3.625 3.586 3.639 0.109 13 0 "[ . 1 . 2 ]" 1
296 1 24 HIS HA 1 25 THR MG . . 6.530 4.473 4.402 4.575 . 0 0 "[ . 1 . 2 ]" 1
297 1 24 HIS HA 1 26 ALA H . . 4.400 4.329 3.766 4.572 0.172 23 0 "[ . 1 . 2 ]" 1
298 1 24 HIS HB3 1 24 HIS HD2 . . 3.890 3.575 3.058 3.937 0.047 6 0 "[ . 1 . 2 ]" 1
299 1 24 HIS HB3 1 24 HIS HE1 . . 5.000 4.990 4.802 5.246 0.246 20 0 "[ . 1 . 2 ]" 1
300 1 24 HIS HB3 1 25 THR H . . 3.890 3.294 3.058 3.598 . 0 0 "[ . 1 . 2 ]" 1
301 1 24 HIS HB3 1 25 THR HB . . 5.500 5.578 5.375 5.801 0.301 23 0 "[ . 1 . 2 ]" 1
302 1 24 HIS HB3 1 25 THR MG . . 4.480 3.118 2.829 3.426 . 0 0 "[ . 1 . 2 ]" 1
303 1 24 HIS HD2 1 25 THR H . . 5.500 5.279 4.882 5.723 0.223 18 0 "[ . 1 . 2 ]" 1
304 1 24 HIS HD2 1 25 THR MG . . 6.530 5.243 4.949 5.668 . 0 0 "[ . 1 . 2 ]" 1
305 1 25 THR H 1 25 THR MG . . 4.230 1.859 1.789 1.966 . 0 0 "[ . 1 . 2 ]" 1
306 1 25 THR H 1 26 ALA H . . 2.830 2.402 2.343 2.549 . 0 0 "[ . 1 . 2 ]" 1
307 1 25 THR HA 1 26 ALA H . . 3.500 3.511 3.328 3.575 0.075 23 0 "[ . 1 . 2 ]" 1
308 1 25 THR HA 1 28 THR H . . 3.460 3.434 3.213 3.671 0.211 19 0 "[ . 1 . 2 ]" 1
309 1 25 THR HA 1 28 THR HB . . 3.670 3.407 2.871 3.750 0.080 11 0 "[ . 1 . 2 ]" 1
310 1 25 THR HA 1 28 THR MG . . 5.530 4.548 4.107 4.757 . 0 0 "[ . 1 . 2 ]" 1
311 1 25 THR HB 1 26 ALA H . . 5.000 4.281 4.065 4.526 . 0 0 "[ . 1 . 2 ]" 1
312 1 25 THR HB 1 28 THR MG . . 6.530 4.902 4.316 5.326 . 0 0 "[ . 1 . 2 ]" 1
313 1 25 THR MG 1 26 ALA H . . 6.530 3.552 3.324 3.907 . 0 0 "[ . 1 . 2 ]" 1
314 1 26 ALA H 1 26 ALA MB . . 2.400 2.000 1.931 2.145 . 0 0 "[ . 1 . 2 ]" 1
315 1 26 ALA H 1 27 GLU H . . 2.850 2.553 2.375 2.816 . 0 0 "[ . 1 . 2 ]" 1
316 1 26 ALA HA 1 27 GLU H . . 3.500 3.497 3.443 3.618 0.118 12 0 "[ . 1 . 2 ]" 1
317 1 26 ALA HA 1 29 LEU H . . 3.420 3.475 3.300 3.619 0.199 22 0 "[ . 1 . 2 ]" 1
318 1 26 ALA HA 1 30 LYS H . . 4.220 4.550 4.385 4.669 0.449 14 0 "[ . 1 . 2 ]" 1
319 1 26 ALA HA 1 62 VAL QG . . 6.940 2.488 1.985 3.040 . 0 0 "[ . 1 . 2 ]" 1
320 1 26 ALA HA 1 63 ILE MD . . 5.160 4.192 4.069 4.336 . 0 0 "[ . 1 . 2 ]" 1
321 1 26 ALA MB 1 27 GLU H . . 3.330 3.033 2.513 3.181 . 0 0 "[ . 1 . 2 ]" 1
322 1 26 ALA MB 1 59 GLY HA2 . . 3.360 1.974 1.848 2.322 . 0 0 "[ . 1 . 2 ]" 1
323 1 26 ALA MB 1 59 GLY QA . . 3.180 1.755 1.686 1.915 . 0 0 "[ . 1 . 2 ]" 1
324 1 26 ALA MB 1 59 GLY HA3 . . 3.360 1.983 1.883 2.123 . 0 0 "[ . 1 . 2 ]" 1
325 1 26 ALA MB 1 62 VAL HB . . 3.930 2.435 2.168 2.643 . 0 0 "[ . 1 . 2 ]" 1
326 1 26 ALA MB 1 62 VAL QG . . 8.090 1.924 1.781 2.115 . 0 0 "[ . 1 . 2 ]" 1
327 1 27 GLU H 1 28 THR H . . 2.840 2.749 2.552 2.984 0.144 19 0 "[ . 1 . 2 ]" 1
328 1 27 GLU H 1 29 LEU H . . 4.200 4.291 4.047 4.403 0.203 4 0 "[ . 1 . 2 ]" 1
329 1 27 GLU H 1 62 VAL QG . . 8.090 4.088 3.557 4.409 . 0 0 "[ . 1 . 2 ]" 1
330 1 27 GLU HA 1 28 THR H . . 3.550 3.626 3.613 3.638 0.088 5 0 "[ . 1 . 2 ]" 1
331 1 27 GLU HA 1 30 LYS H . . 3.400 2.995 2.863 3.198 . 0 0 "[ . 1 . 2 ]" 1
332 1 27 GLU HA 1 30 LYS HA . . 4.000 4.512 4.429 4.625 0.625 24 13 "[ -*** * 1 ***.* *** +]" 1
333 1 27 GLU HA 1 62 VAL MG1 . . 6.530 4.711 4.419 4.995 . 0 0 "[ . 1 . 2 ]" 1
334 1 27 GLU HA 1 62 VAL MG2 . . 6.530 3.436 2.948 4.006 . 0 0 "[ . 1 . 2 ]" 1
335 1 27 GLU HB3 1 28 THR H . . 3.170 2.744 2.477 2.952 . 0 0 "[ . 1 . 2 ]" 1
336 1 28 THR H 1 28 THR HA . . 2.740 2.722 2.707 2.745 0.005 22 0 "[ . 1 . 2 ]" 1
337 1 28 THR H 1 28 THR HB . . 2.680 2.068 1.956 2.540 . 0 0 "[ . 1 . 2 ]" 1
338 1 28 THR H 1 28 THR MG . . 4.170 3.393 3.009 3.681 . 0 0 "[ . 1 . 2 ]" 1
339 1 28 THR H 1 29 LEU H . . 2.990 2.959 2.894 2.997 0.007 6 0 "[ . 1 . 2 ]" 1
340 1 28 THR H 1 30 LYS H . . 4.230 3.922 3.740 3.983 . 0 0 "[ . 1 . 2 ]" 1
341 1 28 THR HA 1 29 LEU H . . 3.530 3.612 3.600 3.628 0.098 22 0 "[ . 1 . 2 ]" 1
342 1 28 THR HA 1 31 GLN H . . 3.400 3.742 3.523 3.881 0.481 1 0 "[ . 1 . 2 ]" 1
343 1 28 THR HB 1 29 LEU H . . 3.480 3.087 2.410 3.552 0.072 21 0 "[ . 1 . 2 ]" 1
344 1 28 THR MG 1 31 GLN QE . . 5.940 3.720 2.306 4.358 . 0 0 "[ . 1 . 2 ]" 1
345 1 29 LEU H 1 29 LEU HA . . 2.800 2.833 2.811 2.855 0.055 18 0 "[ . 1 . 2 ]" 1
346 1 29 LEU H 1 29 LEU HB3 . . 2.710 2.715 2.110 2.919 0.209 7 0 "[ . 1 . 2 ]" 1
347 1 29 LEU H 1 29 LEU MD1 . . 4.760 3.670 3.399 4.061 . 0 0 "[ . 1 . 2 ]" 1
348 1 29 LEU H 1 29 LEU QD . . 4.050 3.346 3.227 3.565 . 0 0 "[ . 1 . 2 ]" 1
349 1 29 LEU H 1 29 LEU MD2 . . 4.760 3.959 3.592 4.222 . 0 0 "[ . 1 . 2 ]" 1
350 1 29 LEU H 1 29 LEU HG . . 4.660 4.568 4.476 4.636 . 0 0 "[ . 1 . 2 ]" 1
351 1 29 LEU H 1 30 LYS H . . 2.800 2.495 2.418 2.590 . 0 0 "[ . 1 . 2 ]" 1
352 1 29 LEU H 1 31 GLN H . . 4.250 4.374 4.278 4.445 0.195 1 0 "[ . 1 . 2 ]" 1
353 1 29 LEU H 1 62 VAL MG1 . . 6.530 4.074 3.512 4.785 . 0 0 "[ . 1 . 2 ]" 1
354 1 29 LEU H 1 62 VAL MG2 . . 6.530 4.540 3.639 5.323 . 0 0 "[ . 1 . 2 ]" 1
355 1 29 LEU HA 1 29 LEU MD1 . . 4.050 2.235 1.748 3.400 . 0 0 "[ . 1 . 2 ]" 1
356 1 29 LEU HA 1 29 LEU QD . . 3.570 1.937 1.742 2.330 . 0 0 "[ . 1 . 2 ]" 1
357 1 29 LEU HA 1 29 LEU MD2 . . 4.050 3.105 2.022 3.757 . 0 0 "[ . 1 . 2 ]" 1
358 1 29 LEU HA 1 30 LYS H . . 3.520 3.530 3.447 3.547 0.027 12 0 "[ . 1 . 2 ]" 1
359 1 29 LEU HA 1 32 LYS HB3 . . 3.760 2.153 1.920 4.043 0.283 22 0 "[ . 1 . 2 ]" 1
360 1 29 LEU HA 1 33 VAL H . . 4.220 4.463 4.235 4.806 0.586 9 1 "[ . +1 . 2 ]" 1
361 1 30 LYS H 1 30 LYS HB3 . . 3.020 2.840 2.636 2.972 . 0 0 "[ . 1 . 2 ]" 1
362 1 30 LYS H 1 31 GLN H . . 3.020 2.816 2.566 2.911 . 0 0 "[ . 1 . 2 ]" 1
363 1 30 LYS H 1 62 VAL QG . . 5.020 3.110 2.411 3.667 . 0 0 "[ . 1 . 2 ]" 1
364 1 30 LYS HA 1 31 GLN H . . 3.580 3.606 3.589 3.616 0.036 18 0 "[ . 1 . 2 ]" 1
365 1 30 LYS HA 1 32 LYS H . . 4.400 4.320 3.997 4.512 0.112 6 0 "[ . 1 . 2 ]" 1
366 1 30 LYS HA 1 62 VAL MG1 . . 5.570 4.102 3.693 4.420 . 0 0 "[ . 1 . 2 ]" 1
367 1 30 LYS HA 1 62 VAL QG . . 5.080 2.743 2.220 3.325 . 0 0 "[ . 1 . 2 ]" 1
368 1 30 LYS HA 1 62 VAL MG2 . . 5.570 2.803 2.228 3.515 . 0 0 "[ . 1 . 2 ]" 1
369 1 30 LYS HB3 1 31 GLN H . . 3.700 2.737 2.617 2.934 . 0 0 "[ . 1 . 2 ]" 1
370 1 31 GLN H 1 31 GLN HA . . 2.800 2.822 2.757 2.842 0.042 13 0 "[ . 1 . 2 ]" 1
371 1 31 GLN H 1 32 LYS H . . 2.930 2.479 2.401 2.689 . 0 0 "[ . 1 . 2 ]" 1
372 1 31 GLN HA 1 32 LYS H . . 3.500 3.555 3.472 3.598 0.098 22 0 "[ . 1 . 2 ]" 1
373 1 31 GLN HA 1 34 THR H . . 3.400 3.370 3.134 3.708 0.308 18 0 "[ . 1 . 2 ]" 1
374 1 31 GLN HA 1 34 THR MG . . 3.430 2.063 1.758 2.535 . 0 0 "[ . 1 . 2 ]" 1
375 1 31 GLN HA 1 35 GLN H . . 4.240 4.685 4.498 4.930 0.690 18 8 "[** * 1 * - + 2 ** ]" 1
376 1 32 LYS H 1 32 LYS HA . . 2.650 2.822 2.749 2.851 0.201 5 0 "[ . 1 . 2 ]" 1
377 1 32 LYS H 1 32 LYS HB3 . . 3.830 2.379 2.136 3.105 . 0 0 "[ . 1 . 2 ]" 1
378 1 32 LYS H 1 33 VAL H . . 2.820 2.568 2.430 2.737 . 0 0 "[ . 1 . 2 ]" 1
379 1 32 LYS H 1 33 VAL QG . . 6.660 3.516 3.332 3.760 . 0 0 "[ . 1 . 2 ]" 1
380 1 32 LYS HA 1 32 LYS NZ . . 5.000 4.626 3.677 5.195 0.195 24 0 "[ . 1 . 2 ]" 1
381 1 32 LYS HA 1 33 VAL H . . 3.590 3.436 3.381 3.554 . 0 0 "[ . 1 . 2 ]" 1
382 1 32 LYS HA 1 34 THR H . . 4.200 4.690 4.605 4.795 0.595 12 8 "[ * * * 1 +*-. **2 ]" 1
383 1 32 LYS HA 1 34 THR MG . . 4.670 3.901 3.772 3.978 . 0 0 "[ . 1 . 2 ]" 1
384 1 33 VAL H 1 33 VAL HB . . 2.710 2.507 2.331 2.689 . 0 0 "[ . 1 . 2 ]" 1
385 1 33 VAL H 1 33 VAL MG1 . . 4.450 3.717 3.671 3.748 . 0 0 "[ . 1 . 2 ]" 1
386 1 33 VAL H 1 33 VAL QG . . 3.790 2.119 1.821 2.480 . 0 0 "[ . 1 . 2 ]" 1
387 1 33 VAL H 1 33 VAL MG2 . . 4.450 2.134 1.826 2.519 . 0 0 "[ . 1 . 2 ]" 1
388 1 33 VAL H 1 34 THR H . . 2.960 2.595 2.347 2.876 . 0 0 "[ . 1 . 2 ]" 1
389 1 33 VAL H 1 35 GLN H . . 4.200 3.828 3.727 3.954 . 0 0 "[ . 1 . 2 ]" 1
390 1 33 VAL HA 1 34 THR H . . 3.590 3.635 3.618 3.641 0.051 13 0 "[ . 1 . 2 ]" 1
391 1 33 VAL HA 1 35 GLN H . . 4.490 4.204 3.774 4.425 . 0 0 "[ . 1 . 2 ]" 1
392 1 33 VAL HA 1 36 SER H . . 3.390 3.301 3.051 3.462 0.072 23 0 "[ . 1 . 2 ]" 1
393 1 33 VAL HA 1 36 SER HB3 . . 3.450 3.491 3.376 3.609 0.159 19 0 "[ . 1 . 2 ]" 1
394 1 33 VAL HB 1 34 THR H . . 3.020 2.364 2.196 2.560 . 0 0 "[ . 1 . 2 ]" 1
395 1 33 VAL HB 1 34 THR HB . . 4.350 4.371 4.248 4.600 0.250 5 0 "[ . 1 . 2 ]" 1
396 1 33 VAL HB 1 35 GLN H . . 4.250 4.796 4.622 4.937 0.687 24 18 "[ **.******* *-** **** +]" 1
397 1 33 VAL QG 1 34 THR H . . 4.260 3.152 3.006 3.254 . 0 0 "[ . 1 . 2 ]" 1
398 1 33 VAL QG 1 35 GLN QE . . 7.160 4.743 4.418 4.994 . 0 0 "[ . 1 . 2 ]" 1
399 1 33 VAL MG1 1 34 THR H . . 4.980 3.470 3.182 3.842 . 0 0 "[ . 1 . 2 ]" 1
400 1 33 VAL MG2 1 34 THR H . . 4.980 3.647 3.427 3.881 . 0 0 "[ . 1 . 2 ]" 1
401 1 34 THR H 1 34 THR HA . . 2.900 2.752 2.709 2.780 . 0 0 "[ . 1 . 2 ]" 1
402 1 34 THR H 1 34 THR HB . . 3.080 2.657 2.291 2.896 . 0 0 "[ . 1 . 2 ]" 1
403 1 34 THR H 1 34 THR MG . . 4.540 1.847 1.672 2.518 . 0 0 "[ . 1 . 2 ]" 1
404 1 34 THR H 1 35 GLN H . . 2.800 2.823 2.761 2.901 0.101 12 0 "[ . 1 . 2 ]" 1
405 1 34 THR H 1 36 SER H . . 4.200 4.356 4.254 4.496 0.296 17 0 "[ . 1 . 2 ]" 1
406 1 34 THR HA 1 34 THR HB . . 2.710 2.385 2.306 2.529 . 0 0 "[ . 1 . 2 ]" 1
407 1 34 THR HA 1 35 GLN H . . 3.580 3.580 3.548 3.598 0.018 16 0 "[ . 1 . 2 ]" 1
408 1 34 THR HB 1 35 GLN H . . 3.980 4.169 4.058 4.337 0.357 2 0 "[ . 1 . 2 ]" 1
409 1 34 THR HB 1 37 LEU HB3 . . 5.000 5.275 5.163 5.337 0.337 17 0 "[ . 1 . 2 ]" 1
410 1 34 THR MG 1 35 GLN H . . 4.640 2.030 1.891 2.383 . 0 0 "[ . 1 . 2 ]" 1
411 1 35 GLN H 1 35 GLN HA . . 2.710 2.771 2.742 2.800 0.090 13 0 "[ . 1 . 2 ]" 1
412 1 35 GLN H 1 35 GLN HG3 . . 4.070 2.609 2.083 3.999 . 0 0 "[ . 1 . 2 ]" 1
413 1 35 GLN H 1 36 SER H . . 2.930 2.700 2.605 2.740 . 0 0 "[ . 1 . 2 ]" 1
414 1 35 GLN H 1 37 LEU H . . 4.250 3.744 3.634 3.953 . 0 0 "[ . 1 . 2 ]" 1
415 1 35 GLN HA 1 36 SER H . . 3.580 3.610 3.581 3.625 0.045 14 0 "[ . 1 . 2 ]" 1
416 1 35 GLN HA 1 38 GLU H . . 3.550 4.001 3.910 4.099 0.549 10 4 "[ * + *- . 2 ]" 1
417 1 35 GLN HG3 1 36 SER H . . 5.000 3.862 1.849 4.930 . 0 0 "[ . 1 . 2 ]" 1
418 1 36 SER H 1 36 SER HA . . 2.800 2.832 2.827 2.843 0.043 17 0 "[ . 1 . 2 ]" 1
419 1 36 SER H 1 36 SER HB3 . . 2.900 2.920 2.715 3.000 0.100 3 0 "[ . 1 . 2 ]" 1
420 1 36 SER H 1 37 LEU H . . 2.800 2.414 2.378 2.436 . 0 0 "[ . 1 . 2 ]" 1
421 1 36 SER HA 1 37 LEU H . . 3.500 3.517 3.504 3.549 0.049 19 0 "[ . 1 . 2 ]" 1
422 1 36 SER HA 1 38 GLU H . . 4.400 3.749 3.621 3.973 . 0 0 "[ . 1 . 2 ]" 1
423 1 36 SER HA 1 39 LYS H . . 3.480 3.540 3.403 3.739 0.259 1 0 "[ . 1 . 2 ]" 1
424 1 36 SER HA 1 39 LYS HB3 . . 4.380 3.908 2.393 4.463 0.083 5 0 "[ . 1 . 2 ]" 1
425 1 36 SER HB3 1 37 LEU H . . 3.670 3.186 2.967 3.273 . 0 0 "[ . 1 . 2 ]" 1
426 1 37 LEU H 1 37 LEU HB3 . . 3.360 3.248 3.208 3.346 . 0 0 "[ . 1 . 2 ]" 1
427 1 37 LEU H 1 37 LEU MD1 . . 4.850 3.863 2.529 4.185 . 0 0 "[ . 1 . 2 ]" 1
428 1 37 LEU H 1 37 LEU QD . . 4.200 2.955 2.475 3.568 . 0 0 "[ . 1 . 2 ]" 1
429 1 37 LEU H 1 37 LEU MD2 . . 4.850 3.238 2.626 4.125 . 0 0 "[ . 1 . 2 ]" 1
430 1 37 LEU H 1 37 LEU HG . . 4.290 4.023 3.316 4.382 0.092 14 0 "[ . 1 . 2 ]" 1
431 1 37 LEU H 1 38 GLU H . . 2.800 2.792 2.724 2.878 0.078 5 0 "[ . 1 . 2 ]" 1
432 1 37 LEU HA 1 38 GLU H . . 3.500 3.573 3.556 3.598 0.098 18 0 "[ . 1 . 2 ]" 1
433 1 37 LEU HB3 1 38 GLU H . . 3.270 3.205 3.071 3.329 0.059 20 0 "[ . 1 . 2 ]" 1
434 1 37 LEU QD 1 38 GLU H . . 5.200 4.096 4.024 4.213 . 0 0 "[ . 1 . 2 ]" 1
435 1 37 LEU QD 1 38 GLU HA . . 8.100 4.784 4.588 5.438 . 0 0 "[ . 1 . 2 ]" 1
436 1 37 LEU QD 1 69 GLN QE . . 6.080 2.613 1.876 3.752 . 0 0 "[ . 1 . 2 ]" 1
437 1 37 LEU MD1 1 38 GLU H . . 5.690 4.588 4.387 4.875 . 0 0 "[ . 1 . 2 ]" 1
438 1 37 LEU MD1 1 69 GLN HE21 . . 7.670 3.311 2.107 5.744 . 0 0 "[ . 1 . 2 ]" 1
439 1 37 LEU MD1 1 69 GLN HE22 . . 7.670 3.988 2.890 5.535 . 0 0 "[ . 1 . 2 ]" 1
440 1 37 LEU MD2 1 38 GLU H . . 5.690 4.641 4.343 4.894 . 0 0 "[ . 1 . 2 ]" 1
441 1 37 LEU MD2 1 69 GLN HE21 . . 7.670 3.360 1.931 4.713 . 0 0 "[ . 1 . 2 ]" 1
442 1 37 LEU MD2 1 69 GLN HE22 . . 7.670 3.839 2.503 5.288 . 0 0 "[ . 1 . 2 ]" 1
443 1 38 GLU H 1 38 GLU HA . . 2.710 2.822 2.799 2.834 0.124 23 0 "[ . 1 . 2 ]" 1
444 1 38 GLU H 1 39 LYS H . . 2.800 3.065 2.937 3.184 0.384 23 0 "[ . 1 . 2 ]" 1
445 1 38 GLU H 1 39 LYS HA . . 3.640 4.009 3.983 4.038 0.398 23 0 "[ . 1 . 2 ]" 1
446 1 38 GLU HA 1 39 LYS H . . 3.300 2.422 2.384 2.488 . 0 0 "[ . 1 . 2 ]" 1
447 1 38 GLU HA 1 40 ASP H . . 3.480 3.690 3.518 3.826 0.346 2 0 "[ . 1 . 2 ]" 1
448 1 39 LYS H 1 39 LYS HA . . 2.860 2.836 2.815 2.847 . 0 0 "[ . 1 . 2 ]" 1
449 1 39 LYS H 1 40 ASP H . . 2.880 2.580 2.499 2.663 . 0 0 "[ . 1 . 2 ]" 1
450 1 39 LYS HA 1 40 ASP H . . 3.560 3.617 3.596 3.628 0.068 2 0 "[ . 1 . 2 ]" 1
451 1 40 ASP H 1 41 ASP H . . 3.080 3.405 3.261 3.536 0.456 23 0 "[ . 1 . 2 ]" 1
452 1 40 ASP H 1 42 ILE MD . . 5.940 4.899 4.732 5.107 . 0 0 "[ . 1 . 2 ]" 1
453 1 40 ASP HA 1 41 ASP H . . 3.540 3.588 3.558 3.623 0.083 9 0 "[ . 1 . 2 ]" 1
454 1 41 ASP H 1 41 ASP HA . . 2.710 2.829 2.809 2.849 0.139 21 0 "[ . 1 . 2 ]" 1
455 1 41 ASP H 1 41 ASP HB3 . . 3.210 2.530 2.321 2.761 . 0 0 "[ . 1 . 2 ]" 1
456 1 41 ASP H 1 42 ILE H . . 4.310 3.803 3.452 4.135 . 0 0 "[ . 1 . 2 ]" 1
457 1 41 ASP HA 1 42 ILE H . . 3.500 3.339 3.142 3.493 . 0 0 "[ . 1 . 2 ]" 1
458 1 41 ASP HA 1 42 ILE HB . . 4.100 4.573 4.447 4.710 0.610 13 10 "[* *.** ** + .- * 2* ]" 1
459 1 41 ASP HB3 1 42 ILE H . . 3.860 1.837 1.779 1.926 . 0 0 "[ . 1 . 2 ]" 1
460 1 41 ASP HB3 1 42 ILE HB . . 5.000 4.397 4.242 4.516 . 0 0 "[ . 1 . 2 ]" 1
461 1 42 ILE H 1 42 ILE HB . . 2.650 2.654 2.329 2.787 0.137 18 0 "[ . 1 . 2 ]" 1
462 1 42 ILE H 1 42 ILE MG . . 4.570 3.552 3.074 3.720 . 0 0 "[ . 1 . 2 ]" 1
463 1 42 ILE H 1 43 ARG H . . 4.110 3.556 3.343 4.146 0.036 21 0 "[ . 1 . 2 ]" 1
464 1 42 ILE HA 1 43 ARG H . . 2.770 2.323 2.186 2.389 . 0 0 "[ . 1 . 2 ]" 1
465 1 42 ILE MD 1 43 ARG H . . 4.920 3.449 2.746 3.745 . 0 0 "[ . 1 . 2 ]" 1
466 1 42 ILE MD 1 75 GLY H . . 4.730 3.398 2.628 3.894 . 0 0 "[ . 1 . 2 ]" 1
467 1 42 ILE MG 1 43 ARG H . . 4.760 3.616 2.839 3.717 . 0 0 "[ . 1 . 2 ]" 1
468 1 42 ILE MG 1 75 GLY H . . 4.850 3.967 3.118 4.184 . 0 0 "[ . 1 . 2 ]" 1
469 1 43 ARG H 1 43 ARG HB3 . . 3.360 3.348 2.216 3.484 0.124 20 0 "[ . 1 . 2 ]" 1
470 1 43 ARG H 1 44 HIS H . . 4.200 4.407 4.343 4.457 0.257 10 0 "[ . 1 . 2 ]" 1
471 1 43 ARG H 1 73 ILE MG . . 5.130 4.090 3.267 4.589 . 0 0 "[ . 1 . 2 ]" 1
472 1 43 ARG HA 1 44 HIS H . . 3.480 2.873 2.816 2.918 . 0 0 "[ . 1 . 2 ]" 1
473 1 43 ARG HA 1 44 HIS HD2 . . 5.000 4.917 4.333 5.134 0.134 20 0 "[ . 1 . 2 ]" 1
474 1 44 HIS H 1 44 HIS HB3 . . 3.880 3.754 3.712 3.805 . 0 0 "[ . 1 . 2 ]" 1
475 1 44 HIS H 1 44 HIS HD2 . . 4.790 4.493 4.132 4.703 . 0 0 "[ . 1 . 2 ]" 1
476 1 44 HIS H 1 45 ILE H . . 4.200 4.453 4.437 4.472 0.272 17 0 "[ . 1 . 2 ]" 1
477 1 44 HIS HA 1 44 HIS HD2 . . 5.010 4.705 4.625 4.758 . 0 0 "[ . 1 . 2 ]" 1
478 1 44 HIS HA 1 44 HIS HE1 . . 5.000 4.613 4.547 4.764 . 0 0 "[ . 1 . 2 ]" 1
479 1 44 HIS HA 1 45 ILE H . . 2.200 2.430 2.389 2.465 0.265 12 0 "[ . 1 . 2 ]" 1
480 1 44 HIS HA 1 45 ILE MD . . 6.530 3.686 3.567 3.850 . 0 0 "[ . 1 . 2 ]" 1
481 1 44 HIS HA 1 45 ILE MG . . 6.030 3.347 2.898 3.752 . 0 0 "[ . 1 . 2 ]" 1
482 1 44 HIS HA 1 76 GLU H . . 3.000 3.454 3.127 3.677 0.677 17 10 "[* - * *** *. +**2 ]" 1
483 1 44 HIS HB3 1 45 ILE H . . 4.010 2.588 2.503 2.685 . 0 0 "[ . 1 . 2 ]" 1
484 1 44 HIS HB3 1 45 ILE MD . . 6.530 3.188 3.008 3.400 . 0 0 "[ . 1 . 2 ]" 1
485 1 44 HIS HB3 1 112 LEU MD1 . . 6.970 3.054 1.939 3.956 . 0 0 "[ . 1 . 2 ]" 1
486 1 44 HIS HB3 1 112 LEU MD2 . . 6.970 2.974 2.171 3.905 . 0 0 "[ . 1 . 2 ]" 1
487 1 44 HIS HD2 1 112 LEU HB3 . . 5.000 4.221 3.780 4.613 . 0 0 "[ . 1 . 2 ]" 1
488 1 44 HIS HE1 1 75 GLY HA2 . . 3.950 3.475 2.901 4.168 0.218 20 0 "[ . 1 . 2 ]" 1
489 1 44 HIS HE1 1 75 GLY QA . . 3.180 2.853 2.486 3.178 . 0 0 "[ . 1 . 2 ]" 1
490 1 44 HIS HE1 1 75 GLY HA3 . . 3.950 3.476 2.505 4.156 0.206 17 0 "[ . 1 . 2 ]" 1
491 1 44 HIS HE1 1 76 GLU H . . 4.550 4.275 3.903 4.592 0.042 20 0 "[ . 1 . 2 ]" 1
492 1 44 HIS HE1 1 112 LEU QD . . 7.660 2.352 2.113 2.869 . 0 0 "[ . 1 . 2 ]" 1
493 1 45 ILE H 1 45 ILE HB . . 3.440 3.656 3.623 3.730 0.290 2 0 "[ . 1 . 2 ]" 1
494 1 45 ILE H 1 46 VAL H . . 4.200 4.548 4.523 4.574 0.374 21 0 "[ . 1 . 2 ]" 1
495 1 45 ILE H 1 77 MET HA . . 4.000 4.060 3.796 4.307 0.307 21 0 "[ . 1 . 2 ]" 1
496 1 45 ILE H 1 78 VAL H . . 4.000 4.502 4.351 4.705 0.705 11 10 "[ - . 1+** ** **** ]" 1
497 1 45 ILE HA 1 46 VAL H . . 2.240 2.412 2.381 2.444 0.204 8 0 "[ . 1 . 2 ]" 1
498 1 45 ILE HA 1 46 VAL HB . . 3.950 3.957 3.921 3.980 0.030 24 0 "[ . 1 . 2 ]" 1
499 1 45 ILE HA 1 46 VAL QG . . 5.640 4.020 3.960 4.054 . 0 0 "[ . 1 . 2 ]" 1
500 1 45 ILE HA 1 47 LEU QD . . 6.610 3.918 3.642 4.498 . 0 0 "[ . 1 . 2 ]" 1
501 1 45 ILE HB 1 46 VAL H . . 3.920 2.707 2.532 2.907 . 0 0 "[ . 1 . 2 ]" 1
502 1 45 ILE HB 1 77 MET HA . . 4.200 4.031 3.777 4.274 0.074 21 0 "[ . 1 . 2 ]" 1
503 1 45 ILE MD 1 46 VAL QG . . 8.280 3.044 2.955 3.102 . 0 0 "[ . 1 . 2 ]" 1
504 1 45 ILE MD 1 76 GLU H . . 6.530 3.921 3.676 4.209 . 0 0 "[ . 1 . 2 ]" 1
505 1 45 ILE MD 1 76 GLU HA . . 6.530 4.590 4.344 4.870 . 0 0 "[ . 1 . 2 ]" 1
506 1 45 ILE MD 1 76 GLU HB3 . . 6.500 4.543 4.028 5.185 . 0 0 "[ . 1 . 2 ]" 1
507 1 45 ILE MD 1 77 MET H . . 6.530 3.717 3.509 3.983 . 0 0 "[ . 1 . 2 ]" 1
508 1 45 ILE MD 1 78 VAL HA . . 5.320 3.658 3.474 3.815 . 0 0 "[ . 1 . 2 ]" 1
509 1 45 ILE MD 1 78 VAL MG1 . . 7.560 3.390 2.184 3.935 . 0 0 "[ . 1 . 2 ]" 1
510 1 45 ILE MD 1 78 VAL QG . . 6.380 2.278 2.007 2.665 . 0 0 "[ . 1 . 2 ]" 1
511 1 45 ILE MD 1 78 VAL MG2 . . 7.560 2.449 2.012 3.285 . 0 0 "[ . 1 . 2 ]" 1
512 1 45 ILE MD 1 110 LEU QD . . 8.660 3.926 3.260 4.698 . 0 0 "[ . 1 . 2 ]" 1
513 1 45 ILE MD 1 111 THR H . . 6.530 5.850 5.629 6.173 . 0 0 "[ . 1 . 2 ]" 1
514 1 45 ILE MD 1 111 THR HA . . 6.530 4.755 4.377 5.042 . 0 0 "[ . 1 . 2 ]" 1
515 1 45 ILE MD 1 111 THR MG . . 7.370 5.466 5.197 5.631 . 0 0 "[ . 1 . 2 ]" 1
516 1 45 ILE MD 1 112 LEU H . . 4.820 4.237 4.074 4.405 . 0 0 "[ . 1 . 2 ]" 1
517 1 45 ILE MD 1 112 LEU HA . . 3.900 3.369 3.028 3.731 . 0 0 "[ . 1 . 2 ]" 1
518 1 45 ILE MD 1 112 LEU HB3 . . 4.450 3.519 2.816 4.081 . 0 0 "[ . 1 . 2 ]" 1
519 1 45 ILE MD 1 112 LEU MD1 . . 6.660 3.529 1.732 4.848 . 0 0 "[ . 1 . 2 ]" 1
520 1 45 ILE MD 1 112 LEU MD2 . . 6.660 4.182 1.708 4.566 . 0 0 "[ . 1 . 2 ]" 1
521 1 45 ILE MG 1 77 MET HA . . 5.530 3.196 2.522 3.782 . 0 0 "[ . 1 . 2 ]" 1
522 1 45 ILE MG 1 78 VAL H . . 5.100 4.151 3.726 4.472 . 0 0 "[ . 1 . 2 ]" 1
523 1 46 VAL H 1 46 VAL HB . . 2.930 2.836 2.806 2.860 . 0 0 "[ . 1 . 2 ]" 1
524 1 46 VAL H 1 46 VAL MG1 . . 4.610 3.588 3.536 3.621 . 0 0 "[ . 1 . 2 ]" 1
525 1 46 VAL H 1 46 VAL QG . . 4.140 3.209 3.199 3.218 . 0 0 "[ . 1 . 2 ]" 1
526 1 46 VAL H 1 46 VAL MG2 . . 4.610 3.616 3.573 3.666 . 0 0 "[ . 1 . 2 ]" 1
527 1 46 VAL H 1 47 LEU H . . 4.200 3.327 3.250 3.414 . 0 0 "[ . 1 . 2 ]" 1
528 1 46 VAL HA 1 46 VAL HB . . 2.800 2.954 2.939 2.965 0.165 10 0 "[ . 1 . 2 ]" 1
529 1 46 VAL HA 1 47 LEU H . . 2.250 2.331 2.302 2.364 0.114 1 0 "[ . 1 . 2 ]" 1
530 1 46 VAL HA 1 78 VAL H . . 3.750 4.299 4.168 4.452 0.702 5 13 "[* *+* * *.- ***** *]" 1
531 1 46 VAL HA 1 78 VAL HB . . 3.110 3.268 2.940 3.480 0.370 15 0 "[ . 1 . 2 ]" 1
532 1 46 VAL HA 1 78 VAL QG . . 6.550 3.226 1.643 3.973 . 0 0 "[ . 1 . 2 ]" 1
533 1 46 VAL HB 1 47 LEU H . . 4.480 4.685 4.677 4.694 0.214 2 0 "[ . 1 . 2 ]" 1
534 1 46 VAL QG 1 47 LEU H . . 7.560 3.465 3.427 3.501 . 0 0 "[ . 1 . 2 ]" 1
535 1 46 VAL QG 1 112 LEU HA . . 8.090 4.387 4.090 4.799 . 0 0 "[ . 1 . 2 ]" 1
536 1 47 LEU H 1 47 LEU MD1 . . 4.360 3.222 2.060 3.878 . 0 0 "[ . 1 . 2 ]" 1
537 1 47 LEU H 1 47 LEU QD . . 3.900 2.284 1.853 3.075 . 0 0 "[ . 1 . 2 ]" 1
538 1 47 LEU H 1 47 LEU MD2 . . 4.360 2.741 1.856 3.558 . 0 0 "[ . 1 . 2 ]" 1
539 1 47 LEU H 1 48 ASN H . . 4.210 4.622 4.613 4.629 0.419 19 0 "[ . 1 . 2 ]" 1
540 1 47 LEU H 1 78 VAL H . . 4.000 3.989 3.721 4.200 0.200 6 0 "[ . 1 . 2 ]" 1
541 1 47 LEU H 1 78 VAL HB . . 3.790 3.895 3.700 4.109 0.319 15 0 "[ . 1 . 2 ]" 1
542 1 47 LEU H 1 79 VAL HA . . 3.000 3.109 2.884 3.329 0.329 3 0 "[ . 1 . 2 ]" 1
543 1 47 LEU H 1 80 CYS H . . 4.000 4.463 4.269 4.549 0.549 19 7 "[ * . ** ** +2- ]" 1
544 1 47 LEU HA 1 48 ASN H . . 2.250 2.361 2.342 2.391 0.141 9 0 "[ . 1 . 2 ]" 1
545 1 48 ASN H 1 48 ASN HA . . 2.520 2.762 2.743 2.777 0.257 20 0 "[ . 1 . 2 ]" 1
546 1 48 ASN H 1 49 LEU H . . 4.200 3.623 3.493 3.689 . 0 0 "[ . 1 . 2 ]" 1
547 1 48 ASN HA 1 49 LEU H . . 2.250 2.262 2.255 2.279 0.029 21 0 "[ . 1 . 2 ]" 1
548 1 48 ASN HA 1 80 CYS H . . 3.020 2.899 2.626 3.055 0.035 6 0 "[ . 1 . 2 ]" 1
549 1 48 ASN HA 1 81 ALA H . . 4.500 4.643 4.503 4.797 0.297 14 0 "[ . 1 . 2 ]" 1
550 1 48 ASN HB3 1 49 LEU H . . 5.000 4.409 3.958 4.593 . 0 0 "[ . 1 . 2 ]" 1
551 1 49 LEU H 1 49 LEU HA . . 2.930 2.929 2.920 2.937 0.007 14 0 "[ . 1 . 2 ]" 1
552 1 49 LEU H 1 49 LEU HB3 . . 3.700 2.839 2.324 3.352 . 0 0 "[ . 1 . 2 ]" 1
553 1 49 LEU H 1 49 LEU HG . . 3.760 3.825 3.511 4.082 0.322 22 0 "[ . 1 . 2 ]" 1
554 1 49 LEU H 1 50 GLU H . . 4.200 4.412 4.318 4.461 0.261 9 0 "[ . 1 . 2 ]" 1
555 1 49 LEU H 1 80 CYS H . . 4.060 4.373 4.237 4.571 0.511 6 1 "[ .+ 1 . 2 ]" 1
556 1 49 LEU HA 1 50 GLU H . . 2.760 2.183 2.176 2.194 . 0 0 "[ . 1 . 2 ]" 1
557 1 49 LEU HG 1 50 GLU H . . 3.610 3.694 3.490 3.908 0.298 20 0 "[ . 1 . 2 ]" 1
558 1 50 GLU H 1 50 GLU HB3 . . 3.080 3.121 3.108 3.143 0.063 16 0 "[ . 1 . 2 ]" 1
559 1 50 GLU H 1 51 ASP H . . 3.270 2.143 1.974 2.344 . 0 0 "[ . 1 . 2 ]" 1
560 1 50 GLU H 1 81 ALA MB . . 4.880 4.209 3.915 4.445 . 0 0 "[ . 1 . 2 ]" 1
561 1 50 GLU HA 1 51 ASP H . . 3.580 3.494 3.481 3.506 . 0 0 "[ . 1 . 2 ]" 1
562 1 50 GLU HA 1 51 ASP HA . . 4.100 4.524 4.484 4.557 0.457 10 0 "[ . 1 . 2 ]" 1
563 1 50 GLU HB3 1 51 ASP H . . 3.450 3.410 3.368 3.456 0.006 3 0 "[ . 1 . 2 ]" 1
564 1 51 ASP H 1 51 ASP HB3 . . 3.080 2.428 2.346 2.536 . 0 0 "[ . 1 . 2 ]" 1
565 1 51 ASP H 1 52 LEU H . . 3.210 3.455 3.290 3.590 0.380 6 0 "[ . 1 . 2 ]" 1
566 1 51 ASP HA 1 52 LEU H . . 3.300 2.569 2.542 2.614 . 0 0 "[ . 1 . 2 ]" 1
567 1 51 ASP HA 1 52 LEU HA . . 5.000 4.551 4.522 4.593 . 0 0 "[ . 1 . 2 ]" 1
568 1 51 ASP HB3 1 52 LEU H . . 5.000 4.494 4.465 4.518 . 0 0 "[ . 1 . 2 ]" 1
569 1 52 LEU H 1 52 LEU HB3 . . 3.050 2.497 2.309 2.815 . 0 0 "[ . 1 . 2 ]" 1
570 1 52 LEU H 1 52 LEU MD1 . . 4.950 3.919 3.664 4.186 . 0 0 "[ . 1 . 2 ]" 1
571 1 52 LEU H 1 52 LEU QD . . 4.550 3.562 3.474 3.649 . 0 0 "[ . 1 . 2 ]" 1
572 1 52 LEU H 1 52 LEU MD2 . . 4.950 4.148 3.797 4.321 . 0 0 "[ . 1 . 2 ]" 1
573 1 52 LEU H 1 52 LEU HG . . 4.660 4.622 4.548 4.709 0.049 20 0 "[ . 1 . 2 ]" 1
574 1 52 LEU H 1 53 SER H . . 4.070 4.382 4.245 4.496 0.426 18 0 "[ . 1 . 2 ]" 1
575 1 52 LEU HA 1 55 MET HB3 . . 4.270 4.520 4.324 4.838 0.568 12 3 "[ * . -1 + . 2 ]" 1
576 1 52 LEU HB3 1 53 SER H . . 5.000 4.382 4.168 4.527 . 0 0 "[ . 1 . 2 ]" 1
577 1 52 LEU QD 1 53 SER H . . 4.490 2.383 2.168 2.703 . 0 0 "[ . 1 . 2 ]" 1
578 1 52 LEU QD 1 54 PHE H . . 6.140 3.947 3.408 4.208 . 0 0 "[ . 1 . 2 ]" 1
579 1 52 LEU QD 1 55 MET H . . 5.800 3.443 3.288 3.843 . 0 0 "[ . 1 . 2 ]" 1
580 1 52 LEU QD 1 55 MET HA . . 5.680 3.539 3.392 3.905 . 0 0 "[ . 1 . 2 ]" 1
581 1 52 LEU MD1 1 53 SER H . . 5.010 2.591 2.213 3.393 . 0 0 "[ . 1 . 2 ]" 1
582 1 52 LEU MD1 1 55 MET HA . . 6.310 4.456 3.578 5.346 . 0 0 "[ . 1 . 2 ]" 1
583 1 52 LEU MD2 1 53 SER H . . 5.010 3.229 2.306 4.207 . 0 0 "[ . 1 . 2 ]" 1
584 1 52 LEU MD2 1 55 MET HA . . 6.310 4.012 3.447 4.830 . 0 0 "[ . 1 . 2 ]" 1
585 1 52 LEU HG 1 53 SER H . . 5.000 4.931 4.666 5.261 0.261 15 0 "[ . 1 . 2 ]" 1
586 1 53 SER H 1 53 SER HA . . 2.830 2.910 2.896 2.917 0.087 24 0 "[ . 1 . 2 ]" 1
587 1 53 SER H 1 54 PHE H . . 2.830 2.870 2.535 2.995 0.165 19 0 "[ . 1 . 2 ]" 1
588 1 53 SER HA 1 86 VAL QG . . 7.590 4.553 2.779 5.291 . 0 0 "[ . 1 . 2 ]" 1
589 1 54 PHE H 1 55 MET H . . 3.580 3.062 2.715 3.341 . 0 0 "[ . 1 . 2 ]" 1
590 1 54 PHE HA 1 54 PHE HB3 . . 3.040 3.073 3.069 3.078 0.038 15 0 "[ . 1 . 2 ]" 1
591 1 54 PHE HB3 1 55 MET H . . 3.830 1.982 1.795 2.131 . 0 0 "[ . 1 . 2 ]" 1
592 1 54 PHE HB3 1 55 MET HB3 . . 6.750 4.876 4.659 5.539 . 0 0 "[ . 1 . 2 ]" 1
593 1 54 PHE QD 1 55 MET H . . 6.410 2.604 1.868 3.658 . 0 0 "[ . 1 . 2 ]" 1
594 1 54 PHE QD 1 55 MET HA . . 6.230 3.341 2.472 4.622 . 0 0 "[ . 1 . 2 ]" 1
595 1 54 PHE QD 1 56 ASP HA . . 6.820 4.752 3.987 5.125 . 0 0 "[ . 1 . 2 ]" 1
596 1 54 PHE QD 1 56 ASP HB3 . . 7.130 4.547 4.216 5.132 . 0 0 "[ . 1 . 2 ]" 1
597 1 54 PHE QE 1 55 MET H . . 7.620 4.663 4.215 5.263 . 0 0 "[ . 1 . 2 ]" 1
598 1 54 PHE QE 1 55 MET HA . . 6.100 4.593 3.821 5.608 . 0 0 "[ . 1 . 2 ]" 1
599 1 54 PHE QE 1 56 ASP HA . . 7.620 4.309 3.322 4.778 . 0 0 "[ . 1 . 2 ]" 1
600 1 54 PHE QE 1 56 ASP HB3 . . 5.610 2.976 2.370 3.741 . 0 0 "[ . 1 . 2 ]" 1
601 1 54 PHE HZ 1 56 ASP HA . . 5.000 5.054 4.584 5.223 0.223 17 0 "[ . 1 . 2 ]" 1
602 1 54 PHE HZ 1 56 ASP HB3 . . 3.020 3.088 2.649 3.442 0.422 20 0 "[ . 1 . 2 ]" 1
603 1 55 MET H 1 55 MET HB3 . . 3.640 3.163 2.936 3.663 0.023 3 0 "[ . 1 . 2 ]" 1
604 1 55 MET H 1 55 MET ME . . 4.360 3.260 2.308 3.500 . 0 0 "[ . 1 . 2 ]" 1
605 1 55 MET H 1 56 ASP H . . 3.300 3.589 3.455 3.678 0.378 6 0 "[ . 1 . 2 ]" 1
606 1 55 MET H 1 86 VAL QG . . 6.500 4.836 4.349 5.095 . 0 0 "[ . 1 . 2 ]" 1
607 1 55 MET HA 1 56 ASP H . . 3.590 2.309 2.253 2.367 . 0 0 "[ . 1 . 2 ]" 1
608 1 55 MET HB3 1 56 ASP H . . 5.000 4.644 4.413 4.729 . 0 0 "[ . 1 . 2 ]" 1
609 1 55 MET HG3 1 56 ASP H . . 4.980 4.760 3.760 5.218 0.238 16 0 "[ . 1 . 2 ]" 1
610 1 56 ASP H 1 56 ASP HB3 . . 2.960 2.757 2.356 2.992 0.032 18 0 "[ . 1 . 2 ]" 1
611 1 56 ASP H 1 57 SER H . . 4.600 4.198 4.036 4.505 . 0 0 "[ . 1 . 2 ]" 1
612 1 56 ASP HA 1 58 SER H . . 4.250 4.259 3.920 4.410 0.160 23 0 "[ . 1 . 2 ]" 1
613 1 56 ASP HB3 1 57 SER H . . 4.040 2.272 1.925 3.612 . 0 0 "[ . 1 . 2 ]" 1
614 1 57 SER H 1 58 SER H . . 2.800 2.669 2.248 2.898 0.098 7 0 "[ . 1 . 2 ]" 1
615 1 57 SER HA 1 58 SER H . . 3.570 3.127 2.929 3.349 . 0 0 "[ . 1 . 2 ]" 1
616 1 57 SER HA 1 60 LEU H . . 3.470 2.965 2.571 3.236 . 0 0 "[ . 1 . 2 ]" 1
617 1 57 SER HA 1 60 LEU HB3 . . 3.450 3.197 2.604 3.541 0.091 12 0 "[ . 1 . 2 ]" 1
618 1 57 SER HA 1 60 LEU MD1 . . 5.010 3.996 2.148 4.321 . 0 0 "[ . 1 . 2 ]" 1
619 1 57 SER HA 1 60 LEU MD2 . . 5.010 3.454 2.191 4.235 . 0 0 "[ . 1 . 2 ]" 1
620 1 57 SER HA 1 89 LEU QD . . 5.000 2.513 1.906 3.387 . 0 0 "[ . 1 . 2 ]" 1
621 1 58 SER H 1 58 SER HA . . 2.620 2.826 2.720 2.897 0.277 19 0 "[ . 1 . 2 ]" 1
622 1 58 SER H 1 59 GLY H . . 2.800 2.533 2.093 2.783 . 0 0 "[ . 1 . 2 ]" 1
623 1 58 SER HA 1 59 GLY H . . 3.590 3.604 3.420 3.648 0.058 20 0 "[ . 1 . 2 ]" 1
624 1 58 SER HA 1 60 LEU H . . 4.400 4.120 3.909 4.297 . 0 0 "[ . 1 . 2 ]" 1
625 1 59 GLY H 1 60 LEU H . . 2.820 2.290 1.843 2.528 . 0 0 "[ . 1 . 2 ]" 1
626 1 59 GLY H 1 61 GLY H . . 4.280 4.583 4.339 4.789 0.509 15 1 "[ . 1 + 2 ]" 1
627 1 59 GLY QA 1 62 VAL H . . 3.510 2.724 2.632 2.979 . 0 0 "[ . 1 . 2 ]" 1
628 1 59 GLY QA 1 62 VAL HB . . 3.960 2.088 1.953 2.565 . 0 0 "[ . 1 . 2 ]" 1
629 1 59 GLY QA 1 62 VAL QG . . 7.240 2.342 2.055 2.957 . 0 0 "[ . 1 . 2 ]" 1
630 1 59 GLY HA2 1 60 LEU H . . 3.640 3.418 3.257 3.511 . 0 0 "[ . 1 . 2 ]" 1
631 1 59 GLY HA2 1 62 VAL H . . 3.750 2.770 2.670 3.051 . 0 0 "[ . 1 . 2 ]" 1
632 1 59 GLY HA2 1 62 VAL MG1 . . 8.280 2.611 2.153 3.558 . 0 0 "[ . 1 . 2 ]" 1
633 1 59 GLY HA2 1 62 VAL MG2 . . 8.280 3.571 3.432 3.878 . 0 0 "[ . 1 . 2 ]" 1
634 1 59 GLY HA3 1 60 LEU H . . 3.640 3.277 3.152 3.443 . 0 0 "[ . 1 . 2 ]" 1
635 1 59 GLY HA3 1 62 VAL H . . 3.750 4.034 3.909 4.162 0.412 19 0 "[ . 1 . 2 ]" 1
636 1 59 GLY HA3 1 62 VAL MG1 . . 8.280 2.846 2.558 3.434 . 0 0 "[ . 1 . 2 ]" 1
637 1 59 GLY HA3 1 62 VAL MG2 . . 8.280 4.627 4.360 4.825 . 0 0 "[ . 1 . 2 ]" 1
638 1 60 LEU H 1 60 LEU HB3 . . 3.020 3.028 2.900 3.167 0.147 15 0 "[ . 1 . 2 ]" 1
639 1 60 LEU H 1 60 LEU MD1 . . 5.810 4.291 3.568 4.419 . 0 0 "[ . 1 . 2 ]" 1
640 1 60 LEU H 1 60 LEU MD2 . . 5.810 3.372 2.933 4.367 . 0 0 "[ . 1 . 2 ]" 1
641 1 60 LEU H 1 61 GLY H . . 2.860 2.847 2.802 2.951 0.091 17 0 "[ . 1 . 2 ]" 1
642 1 60 LEU H 1 62 VAL H . . 4.290 4.007 3.946 4.218 . 0 0 "[ . 1 . 2 ]" 1
643 1 60 LEU H 1 62 VAL QG . . 7.960 4.597 4.423 4.827 . 0 0 "[ . 1 . 2 ]" 1
644 1 60 LEU HA 1 60 LEU MD1 . . 4.360 2.875 2.594 3.714 . 0 0 "[ . 1 . 2 ]" 1
645 1 60 LEU HA 1 60 LEU QD . . 3.850 1.895 1.693 2.632 . 0 0 "[ . 1 . 2 ]" 1
646 1 60 LEU HA 1 60 LEU MD2 . . 4.360 2.007 1.697 3.702 . 0 0 "[ . 1 . 2 ]" 1
647 1 60 LEU HA 1 61 GLY H . . 3.550 3.610 3.597 3.634 0.084 17 0 "[ . 1 . 2 ]" 1
648 1 60 LEU HA 1 63 ILE H . . 3.440 3.666 3.405 3.768 0.328 2 0 "[ . 1 . 2 ]" 1
649 1 60 LEU HA 1 63 ILE HB . . 3.360 3.068 2.791 3.458 0.098 19 0 "[ . 1 . 2 ]" 1
650 1 60 LEU HA 1 63 ILE MD . . 4.140 3.130 2.697 3.548 . 0 0 "[ . 1 . 2 ]" 1
651 1 60 LEU HA 1 63 ILE MG . . 4.820 3.999 3.927 4.293 . 0 0 "[ . 1 . 2 ]" 1
652 1 60 LEU HB3 1 61 GLY H . . 3.210 2.769 2.435 2.962 . 0 0 "[ . 1 . 2 ]" 1
653 1 60 LEU QD 1 63 ILE HB . . 7.140 3.584 2.585 4.423 . 0 0 "[ . 1 . 2 ]" 1
654 1 60 LEU QD 1 64 LEU H . . 5.960 4.110 3.146 4.465 . 0 0 "[ . 1 . 2 ]" 1
655 1 60 LEU QD 1 65 GLY H . . 8.100 5.889 5.101 6.094 . 0 0 "[ . 1 . 2 ]" 1
656 1 60 LEU QD 1 89 LEU QD . . 10.700 2.502 1.992 3.543 . 0 0 "[ . 1 . 2 ]" 1
657 1 60 LEU QD 1 90 PHE H . . 8.100 3.879 3.333 4.492 . 0 0 "[ . 1 . 2 ]" 1
658 1 60 LEU QD 1 90 PHE QE . . 8.430 1.989 1.699 2.373 . 0 0 "[ . 1 . 2 ]" 1
659 1 60 LEU QD 1 90 PHE HZ . . 5.950 2.240 1.891 2.692 . 0 0 "[ . 1 . 2 ]" 1
660 1 60 LEU QD 1 93 SER HA . . 7.850 5.431 4.561 5.692 . 0 0 "[ . 1 . 2 ]" 1
661 1 60 LEU QD 1 96 PHE QE . . 10.220 5.016 4.770 5.419 . 0 0 "[ . 1 . 2 ]" 1
662 1 60 LEU MD1 1 61 GLY H . . 6.530 4.207 3.861 4.849 . 0 0 "[ . 1 . 2 ]" 1
663 1 60 LEU MD1 1 63 ILE H . . 6.530 5.091 4.722 5.626 . 0 0 "[ . 1 . 2 ]" 1
664 1 60 LEU MD1 1 64 LEU H . . 6.530 4.559 4.175 5.549 . 0 0 "[ . 1 . 2 ]" 1
665 1 60 LEU MD1 1 90 PHE QD . . 8.620 2.842 2.189 3.630 . 0 0 "[ . 1 . 2 ]" 1
666 1 60 LEU MD1 1 90 PHE QE . . 8.650 2.657 1.881 3.743 . 0 0 "[ . 1 . 2 ]" 1
667 1 60 LEU MD1 1 90 PHE HZ . . 6.530 3.908 2.096 5.045 . 0 0 "[ . 1 . 2 ]" 1
668 1 60 LEU MD2 1 61 GLY H . . 6.530 4.517 3.936 4.677 . 0 0 "[ . 1 . 2 ]" 1
669 1 60 LEU MD2 1 63 ILE H . . 6.530 4.781 3.623 5.502 . 0 0 "[ . 1 . 2 ]" 1
670 1 60 LEU MD2 1 64 LEU H . . 6.530 4.890 3.182 5.259 . 0 0 "[ . 1 . 2 ]" 1
671 1 60 LEU MD2 1 90 PHE QD . . 8.620 3.216 2.779 3.624 . 0 0 "[ . 1 . 2 ]" 1
672 1 60 LEU MD2 1 90 PHE QE . . 8.650 2.143 1.846 3.142 . 0 0 "[ . 1 . 2 ]" 1
673 1 60 LEU MD2 1 90 PHE HZ . . 6.530 2.432 1.899 4.713 . 0 0 "[ . 1 . 2 ]" 1
674 1 61 GLY H 1 61 GLY HA2 . . 2.800 2.859 2.756 2.887 0.087 2 0 "[ . 1 . 2 ]" 1
675 1 61 GLY H 1 61 GLY QA . . 2.600 2.185 2.154 2.198 . 0 0 "[ . 1 . 2 ]" 1
676 1 61 GLY H 1 61 GLY HA3 . . 2.800 2.268 2.246 2.279 . 0 0 "[ . 1 . 2 ]" 1
677 1 61 GLY H 1 62 VAL H . . 2.830 2.485 2.380 2.813 . 0 0 "[ . 1 . 2 ]" 1
678 1 61 GLY H 1 62 VAL QG . . 7.290 4.441 4.298 4.741 . 0 0 "[ . 1 . 2 ]" 1
679 1 61 GLY H 1 63 ILE H . . 4.200 3.868 3.783 4.010 . 0 0 "[ . 1 . 2 ]" 1
680 1 61 GLY QA 1 64 LEU H . . 3.530 2.884 2.778 2.958 . 0 0 "[ . 1 . 2 ]" 1
681 1 61 GLY HA2 1 64 LEU H . . 3.790 2.935 2.824 3.020 . 0 0 "[ . 1 . 2 ]" 1
682 1 61 GLY HA3 1 64 LEU H . . 3.790 4.241 4.119 4.320 0.530 17 1 "[ . 1 . + 2 ]" 1
683 1 62 VAL H 1 62 VAL HA . . 2.900 2.804 2.764 2.824 . 0 0 "[ . 1 . 2 ]" 1
684 1 62 VAL H 1 62 VAL HB . . 2.740 1.989 1.959 2.021 . 0 0 "[ . 1 . 2 ]" 1
685 1 62 VAL H 1 62 VAL MG1 . . 4.760 2.971 2.843 3.110 . 0 0 "[ . 1 . 2 ]" 1
686 1 62 VAL H 1 62 VAL QG . . 4.120 2.786 2.718 2.843 . 0 0 "[ . 1 . 2 ]" 1
687 1 62 VAL H 1 62 VAL MG2 . . 4.760 3.382 3.286 3.461 . 0 0 "[ . 1 . 2 ]" 1
688 1 62 VAL H 1 63 ILE H . . 2.830 2.586 2.529 2.692 . 0 0 "[ . 1 . 2 ]" 1
689 1 62 VAL HA 1 62 VAL HB . . 2.710 2.771 2.729 2.810 0.100 17 0 "[ . 1 . 2 ]" 1
690 1 62 VAL HA 1 63 ILE H . . 3.580 3.507 3.486 3.537 . 0 0 "[ . 1 . 2 ]" 1
691 1 62 VAL HB 1 63 ILE H . . 3.580 3.652 3.596 3.719 0.139 16 0 "[ . 1 . 2 ]" 1
692 1 62 VAL QG 1 63 ILE H . . 4.700 2.644 2.425 2.836 . 0 0 "[ . 1 . 2 ]" 1
693 1 62 VAL MG1 1 63 ILE H . . 5.350 2.666 2.438 2.870 . 0 0 "[ . 1 . 2 ]" 1
694 1 62 VAL MG2 1 63 ILE H . . 5.350 4.393 4.336 4.429 . 0 0 "[ . 1 . 2 ]" 1
695 1 63 ILE H 1 63 ILE HB . . 2.860 2.204 2.125 2.638 . 0 0 "[ . 1 . 2 ]" 1
696 1 63 ILE H 1 63 ILE MD . . 5.190 3.025 2.774 3.332 . 0 0 "[ . 1 . 2 ]" 1
697 1 63 ILE H 1 63 ILE MG . . 4.480 3.515 3.439 3.733 . 0 0 "[ . 1 . 2 ]" 1
698 1 63 ILE H 1 64 LEU H . . 2.930 2.186 1.999 2.387 . 0 0 "[ . 1 . 2 ]" 1
699 1 63 ILE H 1 65 GLY H . . 4.240 3.747 3.368 3.966 . 0 0 "[ . 1 . 2 ]" 1
700 1 63 ILE HA 1 63 ILE MD . . 4.230 3.428 2.036 3.703 . 0 0 "[ . 1 . 2 ]" 1
701 1 63 ILE HA 1 64 LEU H . . 3.510 3.573 3.552 3.594 0.084 12 0 "[ . 1 . 2 ]" 1
702 1 63 ILE HA 1 66 ARG H . . 3.410 3.399 3.167 3.512 0.102 7 0 "[ . 1 . 2 ]" 1
703 1 63 ILE HA 1 66 ARG HB3 . . 4.110 3.840 3.239 4.224 0.114 19 0 "[ . 1 . 2 ]" 1
704 1 63 ILE HB 1 64 LEU H . . 3.050 3.034 2.888 3.108 0.058 24 0 "[ . 1 . 2 ]" 1
705 1 63 ILE MD 1 90 PHE QE . . 7.840 4.445 3.745 4.739 . 0 0 "[ . 1 . 2 ]" 1
706 1 63 ILE MD 1 90 PHE HZ . . 5.010 3.944 3.197 4.242 . 0 0 "[ . 1 . 2 ]" 1
707 1 63 ILE MG 1 64 LEU H . . 4.820 3.168 2.994 3.987 . 0 0 "[ . 1 . 2 ]" 1
708 1 63 ILE MG 1 65 GLY H . . 5.910 4.852 4.640 5.014 . 0 0 "[ . 1 . 2 ]" 1
709 1 63 ILE MG 1 66 ARG H . . 5.160 4.327 4.208 4.428 . 0 0 "[ . 1 . 2 ]" 1
710 1 63 ILE MG 1 90 PHE QE . . 6.110 3.208 2.227 3.774 . 0 0 "[ . 1 . 2 ]" 1
711 1 63 ILE MG 1 90 PHE HZ . . 4.920 3.808 2.946 3.973 . 0 0 "[ . 1 . 2 ]" 1
712 1 64 LEU H 1 64 LEU HB3 . . 2.960 2.865 2.015 3.113 0.153 19 0 "[ . 1 . 2 ]" 1
713 1 64 LEU H 1 64 LEU HG . . 4.350 4.325 4.162 4.609 0.259 6 0 "[ . 1 . 2 ]" 1
714 1 64 LEU H 1 65 GLY H . . 3.050 2.574 2.417 2.739 . 0 0 "[ . 1 . 2 ]" 1
715 1 64 LEU H 1 66 ARG H . . 4.240 3.877 3.668 4.122 . 0 0 "[ . 1 . 2 ]" 1
716 1 64 LEU HA 1 65 GLY H . . 3.510 3.586 3.447 3.625 0.115 14 0 "[ . 1 . 2 ]" 1
717 1 64 LEU HA 1 66 ARG H . . 4.420 3.792 3.577 4.251 . 0 0 "[ . 1 . 2 ]" 1
718 1 64 LEU HA 1 68 LYS H . . 4.230 4.543 4.376 4.804 0.574 22 1 "[ . 1 . 2 + ]" 1
719 1 64 LEU QD 1 67 TYR H . . 8.100 4.527 3.424 5.152 . 0 0 "[ . 1 . 2 ]" 1
720 1 64 LEU QD 1 90 PHE HZ . . 8.100 5.578 5.341 6.231 . 0 0 "[ . 1 . 2 ]" 1
721 1 64 LEU MD1 1 67 TYR HB3 . . 7.560 4.314 2.265 5.478 . 0 0 "[ . 1 . 2 ]" 1
722 1 64 LEU MD2 1 67 TYR HB3 . . 7.560 4.708 3.166 5.392 . 0 0 "[ . 1 . 2 ]" 1
723 1 65 GLY H 1 66 ARG H . . 2.860 2.642 2.408 2.768 . 0 0 "[ . 1 . 2 ]" 1
724 1 65 GLY QA 1 68 LYS H . . 4.430 3.800 3.564 4.062 . 0 0 "[ . 1 . 2 ]" 1
725 1 65 GLY HA2 1 66 ARG H . . 3.560 3.518 3.440 3.601 0.041 22 0 "[ . 1 . 2 ]" 1
726 1 65 GLY HA3 1 66 ARG H . . 3.560 3.132 2.952 3.259 . 0 0 "[ . 1 . 2 ]" 1
727 1 66 ARG H 1 66 ARG HB3 . . 3.170 3.182 3.056 3.336 0.166 12 0 "[ . 1 . 2 ]" 1
728 1 66 ARG H 1 67 TYR H . . 2.850 2.332 2.089 2.576 . 0 0 "[ . 1 . 2 ]" 1
729 1 66 ARG HA 1 67 TYR H . . 3.540 3.598 3.540 3.636 0.096 13 0 "[ . 1 . 2 ]" 1
730 1 66 ARG HA 1 68 LYS H . . 4.440 4.201 3.614 4.509 0.069 10 0 "[ . 1 . 2 ]" 1
731 1 66 ARG HA 1 69 GLN H . . 3.440 3.092 2.565 3.653 0.213 6 0 "[ . 1 . 2 ]" 1
732 1 66 ARG HA 1 70 ILE H . . 4.290 3.736 2.972 4.324 0.034 4 0 "[ . 1 . 2 ]" 1
733 1 66 ARG HB3 1 67 TYR H . . 3.890 2.992 2.617 3.410 . 0 0 "[ . 1 . 2 ]" 1
734 1 66 ARG HB3 1 67 TYR HB3 . . 6.010 5.648 5.436 5.917 . 0 0 "[ . 1 . 2 ]" 1
735 1 67 TYR H 1 67 TYR HA . . 2.770 2.731 2.666 2.796 0.026 19 0 "[ . 1 . 2 ]" 1
736 1 67 TYR H 1 67 TYR HB3 . . 3.140 2.880 2.729 3.026 . 0 0 "[ . 1 . 2 ]" 1
737 1 67 TYR H 1 68 LYS H . . 2.870 2.869 2.709 3.030 0.160 16 0 "[ . 1 . 2 ]" 1
738 1 67 TYR H 1 69 GLN H . . 4.200 3.924 3.653 4.266 0.066 21 0 "[ . 1 . 2 ]" 1
739 1 67 TYR H 1 99 ILE MD . . 6.530 4.222 3.613 5.378 . 0 0 "[ . 1 . 2 ]" 1
740 1 67 TYR HA 1 67 TYR HB3 . . 2.860 3.033 3.018 3.047 0.187 19 0 "[ . 1 . 2 ]" 1
741 1 67 TYR HA 1 68 LYS H . . 3.500 3.608 3.540 3.630 0.130 23 0 "[ . 1 . 2 ]" 1
742 1 67 TYR HA 1 69 GLN H . . 4.380 4.074 3.512 4.670 0.290 21 0 "[ . 1 . 2 ]" 1
743 1 67 TYR HA 1 70 ILE H . . 3.420 3.595 3.437 3.809 0.389 20 0 "[ . 1 . 2 ]" 1
744 1 67 TYR HB3 1 68 LYS H . . 3.420 2.519 2.291 2.904 . 0 0 "[ . 1 . 2 ]" 1
745 1 67 TYR QD 1 68 LYS H . . 6.550 4.182 3.963 4.437 . 0 0 "[ . 1 . 2 ]" 1
746 1 67 TYR QD 1 68 LYS HA . . 6.520 4.036 3.805 4.254 . 0 0 "[ . 1 . 2 ]" 1
747 1 67 TYR QD 1 69 GLN H . . 7.640 5.612 5.088 6.111 . 0 0 "[ . 1 . 2 ]" 1
748 1 67 TYR QD 1 70 ILE H . . 7.640 5.760 5.499 5.935 . 0 0 "[ . 1 . 2 ]" 1
749 1 67 TYR QD 1 76 GLU HA . . 7.640 6.539 5.624 7.371 . 0 0 "[ . 1 . 2 ]" 1
750 1 67 TYR QD 1 77 MET HA . . 7.640 5.327 4.894 5.809 . 0 0 "[ . 1 . 2 ]" 1
751 1 67 TYR QD 1 79 VAL QG . . 7.530 3.892 3.065 4.546 . 0 0 "[ . 1 . 2 ]" 1
752 1 67 TYR QD 1 97 LYS HA . . 7.700 7.402 7.242 7.591 . 0 0 "[ . 1 . 2 ]" 1
753 1 67 TYR QD 1 98 ILE HB . . 7.640 5.510 3.252 6.076 . 0 0 "[ . 1 . 2 ]" 1
754 1 67 TYR QD 1 98 ILE MG . . 6.130 3.935 3.435 4.806 . 0 0 "[ . 1 . 2 ]" 1
755 1 67 TYR QD 1 99 ILE MD . . 8.540 2.764 2.105 4.440 . 0 0 "[ . 1 . 2 ]" 1
756 1 67 TYR QD 1 99 ILE MG . . 8.670 3.590 3.085 4.202 . 0 0 "[ . 1 . 2 ]" 1
757 1 67 TYR QE 1 68 LYS H . . 7.630 6.387 6.173 6.606 . 0 0 "[ . 1 . 2 ]" 1
758 1 67 TYR QE 1 68 LYS HA . . 7.010 6.115 5.906 6.324 . 0 0 "[ . 1 . 2 ]" 1
759 1 67 TYR QE 1 76 GLU HA . . 7.540 6.098 5.370 6.960 . 0 0 "[ . 1 . 2 ]" 1
760 1 67 TYR QE 1 77 MET H . . 7.630 4.462 3.733 5.271 . 0 0 "[ . 1 . 2 ]" 1
761 1 67 TYR QE 1 97 LYS HA . . 7.380 5.883 5.533 6.170 . 0 0 "[ . 1 . 2 ]" 1
762 1 67 TYR QE 1 98 ILE MG . . 6.020 4.529 4.213 4.716 . 0 0 "[ . 1 . 2 ]" 1
763 1 67 TYR QE 1 99 ILE HB . . 6.360 4.786 4.639 5.104 . 0 0 "[ . 1 . 2 ]" 1
764 1 67 TYR QE 1 99 ILE MD . . 8.660 3.645 2.951 5.271 . 0 0 "[ . 1 . 2 ]" 1
765 1 67 TYR QE 1 99 ILE MG . . 8.260 3.137 2.460 3.979 . 0 0 "[ . 1 . 2 ]" 1
766 1 68 LYS H 1 68 LYS HA . . 2.860 2.875 2.837 2.935 0.075 20 0 "[ . 1 . 2 ]" 1
767 1 68 LYS H 1 69 GLN H . . 2.850 2.445 1.918 2.817 . 0 0 "[ . 1 . 2 ]" 1
768 1 68 LYS HA 1 69 GLN H . . 3.500 3.426 3.026 3.597 0.097 14 0 "[ . 1 . 2 ]" 1
769 1 68 LYS HA 1 71 LYS H . . 3.410 3.497 3.060 3.718 0.308 24 0 "[ . 1 . 2 ]" 1
770 1 68 LYS HA 1 71 LYS HB3 . . 3.700 3.750 3.035 3.966 0.266 3 0 "[ . 1 . 2 ]" 1
771 1 68 LYS HA 1 72 GLN H . . 4.250 4.042 2.983 4.426 0.176 17 0 "[ . 1 . 2 ]" 1
772 1 69 GLN H 1 69 GLN HA . . 2.860 2.869 2.806 2.919 0.059 6 0 "[ . 1 . 2 ]" 1
773 1 69 GLN H 1 69 GLN HB3 . . 3.110 2.957 2.217 3.255 0.145 6 0 "[ . 1 . 2 ]" 1
774 1 69 GLN H 1 70 ILE H . . 2.810 2.330 1.924 2.641 . 0 0 "[ . 1 . 2 ]" 1
775 1 69 GLN H 1 71 LYS H . . 4.200 3.613 2.904 4.102 . 0 0 "[ . 1 . 2 ]" 1
776 1 69 GLN HA 1 70 ILE H . . 3.500 3.562 3.381 3.631 0.131 24 0 "[ . 1 . 2 ]" 1
777 1 69 GLN HA 1 72 GLN H . . 3.490 3.366 2.998 3.809 0.319 21 0 "[ . 1 . 2 ]" 1
778 1 69 GLN HA 1 73 ILE H . . 4.210 4.641 4.218 4.841 0.631 21 7 "[ *. * * - **2+ ]" 1
779 1 70 ILE H 1 70 ILE HB . . 2.740 2.547 2.299 2.898 0.158 24 0 "[ . 1 . 2 ]" 1
780 1 70 ILE H 1 70 ILE MD . . 4.950 3.984 3.713 4.291 . 0 0 "[ . 1 . 2 ]" 1
781 1 70 ILE H 1 70 ILE MG . . 4.330 2.062 1.692 2.386 . 0 0 "[ . 1 . 2 ]" 1
782 1 70 ILE H 1 71 LYS H . . 2.830 2.418 2.074 2.787 . 0 0 "[ . 1 . 2 ]" 1
783 1 70 ILE H 1 72 GLN H . . 4.220 3.775 3.355 4.335 0.115 21 0 "[ . 1 . 2 ]" 1
784 1 70 ILE HA 1 70 ILE HB . . 2.460 2.466 2.242 2.560 0.100 15 0 "[ . 1 . 2 ]" 1
785 1 70 ILE HA 1 71 LYS H . . 3.540 3.557 3.394 3.616 0.076 13 0 "[ . 1 . 2 ]" 1
786 1 70 ILE HA 1 73 ILE MD . . 3.710 2.721 1.734 3.389 . 0 0 "[ . 1 . 2 ]" 1
787 1 70 ILE HB 1 71 LYS H . . 4.100 4.028 3.792 4.222 0.122 24 0 "[ . 1 . 2 ]" 1
788 1 70 ILE MD 1 73 ILE H . . 5.970 4.445 3.550 4.911 . 0 0 "[ . 1 . 2 ]" 1
789 1 70 ILE MG 1 71 LYS H . . 4.920 2.198 1.921 2.638 . 0 0 "[ . 1 . 2 ]" 1
790 1 71 LYS H 1 71 LYS HA . . 2.930 2.855 2.812 2.892 . 0 0 "[ . 1 . 2 ]" 1
791 1 71 LYS H 1 71 LYS HB3 . . 3.390 3.155 2.148 3.422 0.032 12 0 "[ . 1 . 2 ]" 1
792 1 71 LYS H 1 72 GLN H . . 3.050 2.437 2.295 2.578 . 0 0 "[ . 1 . 2 ]" 1
793 1 71 LYS H 1 73 ILE H . . 4.200 3.940 3.463 4.203 0.003 15 0 "[ . 1 . 2 ]" 1
794 1 71 LYS HA 1 72 GLN H . . 3.560 3.534 3.482 3.633 0.073 21 0 "[ . 1 . 2 ]" 1
795 1 71 LYS HA 1 73 ILE H . . 4.410 3.894 3.447 4.188 . 0 0 "[ . 1 . 2 ]" 1
796 1 71 LYS HA 1 74 GLY H . . 4.260 3.168 2.899 3.437 . 0 0 "[ . 1 . 2 ]" 1
797 1 71 LYS HA 1 75 GLY H . . 3.510 3.118 2.260 3.826 0.316 20 0 "[ . 1 . 2 ]" 1
798 1 72 GLN H 1 72 GLN HA . . 2.770 2.805 2.719 2.850 0.080 7 0 "[ . 1 . 2 ]" 1
799 1 72 GLN H 1 72 GLN HG3 . . 5.000 4.084 2.329 4.339 . 0 0 "[ . 1 . 2 ]" 1
800 1 72 GLN H 1 73 ILE H . . 3.080 2.537 2.367 2.798 . 0 0 "[ . 1 . 2 ]" 1
801 1 72 GLN H 1 74 GLY H . . 4.210 4.035 3.782 4.379 0.169 18 0 "[ . 1 . 2 ]" 1
802 1 72 GLN HA 1 72 GLN HB3 . . 2.800 2.846 2.338 2.985 0.185 22 0 "[ . 1 . 2 ]" 1
803 1 72 GLN HA 1 72 GLN HG3 . . 3.640 3.172 2.861 3.692 0.052 1 0 "[ . 1 . 2 ]" 1
804 1 72 GLN HA 1 73 ILE H . . 3.500 3.513 3.416 3.594 0.094 15 0 "[ . 1 . 2 ]" 1
805 1 72 GLN HA 1 75 GLY H . . 5.090 5.312 4.023 5.977 0.887 13 12 "[-* *. ** * + .****2 *]" 1
806 1 73 ILE H 1 73 ILE HB . . 2.740 2.763 2.309 3.051 0.311 22 0 "[ . 1 . 2 ]" 1
807 1 73 ILE H 1 74 GLY H . . 2.840 2.375 2.136 2.587 . 0 0 "[ . 1 . 2 ]" 1
808 1 73 ILE H 1 74 GLY QA . . 4.430 4.113 3.750 4.327 . 0 0 "[ . 1 . 2 ]" 1
809 1 73 ILE H 1 75 GLY H . . 4.240 3.745 3.054 4.177 . 0 0 "[ . 1 . 2 ]" 1
810 1 73 ILE HA 1 73 ILE MG . . 3.550 2.318 2.037 3.213 . 0 0 "[ . 1 . 2 ]" 1
811 1 73 ILE HA 1 74 GLY H . . 3.550 3.367 2.882 3.628 0.078 21 0 "[ . 1 . 2 ]" 1
812 1 73 ILE HB 1 73 ILE MD . . 3.740 2.386 1.965 3.209 . 0 0 "[ . 1 . 2 ]" 1
813 1 73 ILE HB 1 74 GLY H . . 4.240 3.473 2.706 4.290 0.050 22 0 "[ . 1 . 2 ]" 1
814 1 73 ILE MD 1 74 GLY H . . 4.980 4.083 2.928 4.622 . 0 0 "[ . 1 . 2 ]" 1
815 1 73 ILE MG 1 74 GLY H . . 5.160 3.865 1.826 4.385 . 0 0 "[ . 1 . 2 ]" 1
816 1 74 GLY H 1 74 GLY HA2 . . 2.710 2.638 2.399 2.959 0.249 23 0 "[ . 1 . 2 ]" 1
817 1 74 GLY H 1 74 GLY QA . . 2.500 2.365 2.182 2.456 . 0 0 "[ . 1 . 2 ]" 1
818 1 74 GLY H 1 74 GLY HA3 . . 2.710 2.803 2.264 2.961 0.251 10 0 "[ . 1 . 2 ]" 1
819 1 74 GLY H 1 75 GLY H . . 2.590 1.864 1.701 2.632 0.042 21 0 "[ . 1 . 2 ]" 1
820 1 75 GLY H 1 75 GLY HA2 . . 2.860 2.691 2.246 2.961 0.101 4 0 "[ . 1 . 2 ]" 1
821 1 75 GLY H 1 75 GLY QA . . 2.610 2.284 2.159 2.403 . 0 0 "[ . 1 . 2 ]" 1
822 1 75 GLY H 1 75 GLY HA3 . . 2.860 2.604 2.371 2.842 . 0 0 "[ . 1 . 2 ]" 1
823 1 75 GLY H 1 76 GLU H . . 3.790 3.880 3.689 4.067 0.277 7 0 "[ . 1 . 2 ]" 1
824 1 75 GLY HA2 1 76 GLU H . . 3.480 3.316 3.043 3.646 0.166 23 0 "[ . 1 . 2 ]" 1
825 1 75 GLY HA3 1 76 GLU H . . 3.480 2.398 2.220 2.687 . 0 0 "[ . 1 . 2 ]" 1
826 1 76 GLU H 1 77 MET H . . 4.200 4.366 4.278 4.474 0.274 21 0 "[ . 1 . 2 ]" 1
827 1 76 GLU HA 1 76 GLU HB3 . . 3.050 2.331 2.265 2.454 . 0 0 "[ . 1 . 2 ]" 1
828 1 76 GLU HA 1 77 MET H . . 2.230 2.362 2.319 2.438 0.208 17 0 "[ . 1 . 2 ]" 1
829 1 77 MET H 1 77 MET HB3 . . 3.750 2.877 2.346 3.659 . 0 0 "[ . 1 . 2 ]" 1
830 1 77 MET H 1 78 VAL H . . 4.200 4.420 4.339 4.494 0.294 14 0 "[ . 1 . 2 ]" 1
831 1 77 MET HA 1 78 VAL H . . 2.220 2.218 2.204 2.246 0.026 17 0 "[ . 1 . 2 ]" 1
832 1 77 MET HA 1 78 VAL HB . . 3.950 4.423 4.067 4.805 0.855 6 12 "[-* *.+ *1 ** .* * * ** ]" 1
833 1 77 MET HA 1 78 VAL MG1 . . 6.350 5.302 4.589 5.456 . 0 0 "[ . 1 . 2 ]" 1
834 1 77 MET HA 1 78 VAL QG . . 5.790 3.751 3.264 4.308 . 0 0 "[ . 1 . 2 ]" 1
835 1 77 MET HA 1 78 VAL MG2 . . 6.350 3.906 3.291 5.076 . 0 0 "[ . 1 . 2 ]" 1
836 1 77 MET HB3 1 78 VAL H . . 4.570 4.070 3.404 4.493 . 0 0 "[ . 1 . 2 ]" 1
837 1 78 VAL H 1 78 VAL HB . . 3.210 2.596 2.319 2.856 . 0 0 "[ . 1 . 2 ]" 1
838 1 78 VAL H 1 78 VAL QG . . 4.130 2.823 2.578 3.035 . 0 0 "[ . 1 . 2 ]" 1
839 1 78 VAL HA 1 79 VAL H . . 2.300 2.356 2.210 2.440 0.140 15 0 "[ . 1 . 2 ]" 1
840 1 78 VAL QG 1 79 VAL H . . 5.110 2.119 1.863 2.627 . 0 0 "[ . 1 . 2 ]" 1
841 1 78 VAL QG 1 79 VAL HA . . 7.220 3.297 2.796 3.694 . 0 0 "[ . 1 . 2 ]" 1
842 1 78 VAL QG 1 80 CYS H . . 7.000 4.103 3.443 4.462 . 0 0 "[ . 1 . 2 ]" 1
843 1 78 VAL QG 1 80 CYS HA . . 7.220 4.701 4.583 4.843 . 0 0 "[ . 1 . 2 ]" 1
844 1 79 VAL H 1 79 VAL HB . . 3.080 3.357 3.070 3.484 0.404 24 0 "[ . 1 . 2 ]" 1
845 1 79 VAL H 1 79 VAL QG . . 4.000 2.473 2.017 2.727 . 0 0 "[ . 1 . 2 ]" 1
846 1 79 VAL H 1 80 CYS H . . 4.270 4.129 3.790 4.306 0.036 18 0 "[ . 1 . 2 ]" 1
847 1 79 VAL H 1 101 PHE HA . . 3.790 3.485 2.857 3.995 0.205 7 0 "[ . 1 . 2 ]" 1
848 1 79 VAL HA 1 80 CYS H . . 2.270 2.215 2.182 2.254 . 0 0 "[ . 1 . 2 ]" 1
849 1 79 VAL HA 1 80 CYS HA . . 4.290 4.376 4.357 4.410 0.120 19 0 "[ . 1 . 2 ]" 1
850 1 79 VAL HA 1 101 PHE QD . . 7.620 5.387 4.987 5.645 . 0 0 "[ . 1 . 2 ]" 1
851 1 79 VAL HA 1 101 PHE HZ . . 5.500 5.160 4.846 5.711 0.211 20 0 "[ . 1 . 2 ]" 1
852 1 79 VAL HB 1 80 CYS H . . 5.000 4.235 3.863 4.506 . 0 0 "[ . 1 . 2 ]" 1
853 1 79 VAL HB 1 101 PHE QD . . 5.790 4.400 2.320 5.146 . 0 0 "[ . 1 . 2 ]" 1
854 1 79 VAL HB 1 101 PHE QE . . 6.000 4.082 2.546 4.616 . 0 0 "[ . 1 . 2 ]" 1
855 1 79 VAL QG 1 80 CYS HA . . 7.470 3.415 3.297 3.944 . 0 0 "[ . 1 . 2 ]" 1
856 1 79 VAL QG 1 82 ILE MD . . 8.430 3.673 3.257 4.225 . 0 0 "[ . 1 . 2 ]" 1
857 1 79 VAL QG 1 90 PHE HZ . . 6.720 4.199 3.842 4.662 . 0 0 "[ . 1 . 2 ]" 1
858 1 79 VAL QG 1 96 PHE QE . . 7.820 4.013 3.821 4.559 . 0 0 "[ . 1 . 2 ]" 1
859 1 79 VAL QG 1 101 PHE QD . . 7.010 2.095 1.844 2.972 . 0 0 "[ . 1 . 2 ]" 1
860 1 79 VAL QG 1 101 PHE QE . . 7.220 1.844 1.675 2.182 . 0 0 "[ . 1 . 2 ]" 1
861 1 79 VAL MG1 1 80 CYS H . . 4.670 3.900 2.487 4.166 . 0 0 "[ . 1 . 2 ]" 1
862 1 79 VAL MG1 1 96 PHE QE . . 8.250 4.187 3.948 5.069 . 0 0 "[ . 1 . 2 ]" 1
863 1 79 VAL MG1 1 101 PHE QD . . 7.350 2.147 1.852 3.272 . 0 0 "[ . 1 . 2 ]" 1
864 1 79 VAL MG1 1 101 PHE QE . . 7.600 2.505 1.825 3.189 . 0 0 "[ . 1 . 2 ]" 1
865 1 79 VAL MG2 1 80 CYS H . . 4.670 2.776 2.231 4.310 . 0 0 "[ . 1 . 2 ]" 1
866 1 79 VAL MG2 1 96 PHE QE . . 8.250 5.231 5.003 5.404 . 0 0 "[ . 1 . 2 ]" 1
867 1 79 VAL MG2 1 101 PHE QD . . 7.350 3.147 2.353 3.538 . 0 0 "[ . 1 . 2 ]" 1
868 1 79 VAL MG2 1 101 PHE QE . . 7.600 2.047 1.776 3.646 . 0 0 "[ . 1 . 2 ]" 1
869 1 80 CYS H 1 80 CYS HB3 . . 4.040 3.189 2.913 3.741 . 0 0 "[ . 1 . 2 ]" 1
870 1 80 CYS H 1 81 ALA H . . 4.200 4.307 4.278 4.353 0.153 20 0 "[ . 1 . 2 ]" 1
871 1 80 CYS HA 1 80 CYS HB3 . . 2.800 2.471 2.233 2.597 . 0 0 "[ . 1 . 2 ]" 1
872 1 80 CYS HA 1 81 ALA H . . 3.580 2.825 2.763 2.875 . 0 0 "[ . 1 . 2 ]" 1
873 1 80 CYS HA 1 81 ALA MB . . 4.820 4.245 4.195 4.296 . 0 0 "[ . 1 . 2 ]" 1
874 1 80 CYS HA 1 101 PHE HA . . 4.510 4.204 3.778 4.634 0.124 16 0 "[ . 1 . 2 ]" 1
875 1 80 CYS HA 1 101 PHE QD . . 7.620 3.084 2.457 4.188 . 0 0 "[ . 1 . 2 ]" 1
876 1 80 CYS HA 1 101 PHE QE . . 7.620 2.702 2.160 4.728 . 0 0 "[ . 1 . 2 ]" 1
877 1 80 CYS HA 1 102 GLU H . . 4.360 2.834 2.424 3.435 . 0 0 "[ . 1 . 2 ]" 1
878 1 80 CYS HA 1 103 GLN HA . . 4.350 4.471 4.358 4.687 0.337 9 0 "[ . 1 . 2 ]" 1
879 1 80 CYS HA 1 104 SER H . . 4.320 4.098 3.579 4.509 0.189 2 0 "[ . 1 . 2 ]" 1
880 1 80 CYS HB3 1 81 ALA H . . 3.580 3.541 2.716 3.670 0.090 7 0 "[ . 1 . 2 ]" 1
881 1 81 ALA H 1 81 ALA HA . . 2.680 2.222 2.213 2.235 . 0 0 "[ . 1 . 2 ]" 1
882 1 81 ALA H 1 82 ILE H . . 3.330 2.566 2.336 3.194 . 0 0 "[ . 1 . 2 ]" 1
883 1 81 ALA H 1 82 ILE MD . . 6.530 5.395 5.065 5.670 . 0 0 "[ . 1 . 2 ]" 1
884 1 81 ALA H 1 82 ILE MG . . 4.950 4.224 4.039 4.378 . 0 0 "[ . 1 . 2 ]" 1
885 1 81 ALA HA 1 82 ILE H . . 3.050 2.783 2.301 3.077 0.027 2 0 "[ . 1 . 2 ]" 1
886 1 81 ALA HA 1 101 PHE QD . . 7.620 6.073 5.604 6.575 . 0 0 "[ . 1 . 2 ]" 1
887 1 81 ALA HA 1 101 PHE QE . . 7.160 4.258 3.659 4.981 . 0 0 "[ . 1 . 2 ]" 1
888 1 81 ALA MB 1 82 ILE H . . 4.260 3.736 3.627 3.792 . 0 0 "[ . 1 . 2 ]" 1
889 1 81 ALA MB 1 101 PHE QD . . 8.650 5.586 4.965 5.852 . 0 0 "[ . 1 . 2 ]" 1
890 1 81 ALA MB 1 101 PHE QE . . 8.370 3.821 3.526 4.031 . 0 0 "[ . 1 . 2 ]" 1
891 1 81 ALA MB 1 104 SER HA . . 5.790 4.905 4.708 5.217 . 0 0 "[ . 1 . 2 ]" 1
892 1 82 ILE H 1 82 ILE HA . . 2.770 2.849 2.783 2.939 0.169 20 0 "[ . 1 . 2 ]" 1
893 1 82 ILE H 1 82 ILE HB . . 3.110 2.386 2.146 3.164 0.054 24 0 "[ . 1 . 2 ]" 1
894 1 82 ILE HA 1 82 ILE MD . . 4.020 2.009 1.752 2.790 . 0 0 "[ . 1 . 2 ]" 1
895 1 82 ILE MD 1 83 SER H . . 6.530 2.870 1.902 3.611 . 0 0 "[ . 1 . 2 ]" 1
896 1 82 ILE MD 1 86 VAL QG . . 8.000 2.003 1.799 2.688 . 0 0 "[ . 1 . 2 ]" 1
897 1 82 ILE MD 1 87 LYS H . . 5.470 3.523 2.797 4.047 . 0 0 "[ . 1 . 2 ]" 1
898 1 82 ILE MD 1 87 LYS HA . . 4.080 2.488 2.229 2.739 . 0 0 "[ . 1 . 2 ]" 1
899 1 82 ILE MD 1 88 ARG H . . 6.530 4.952 4.560 5.326 . 0 0 "[ . 1 . 2 ]" 1
900 1 82 ILE MD 1 90 PHE QD . . 7.600 3.096 2.651 3.667 . 0 0 "[ . 1 . 2 ]" 1
901 1 82 ILE MD 1 90 PHE QE . . 7.600 2.740 1.908 3.787 . 0 0 "[ . 1 . 2 ]" 1
902 1 82 ILE MD 1 90 PHE HZ . . 6.220 4.357 3.420 5.323 . 0 0 "[ . 1 . 2 ]" 1
903 1 82 ILE MD 1 96 PHE QD . . 8.650 4.979 4.388 5.434 . 0 0 "[ . 1 . 2 ]" 1
904 1 82 ILE MD 1 96 PHE QE . . 7.630 3.083 2.578 3.816 . 0 0 "[ . 1 . 2 ]" 1
905 1 82 ILE MD 1 96 PHE HZ . . 5.790 2.589 1.832 4.537 . 0 0 "[ . 1 . 2 ]" 1
906 1 82 ILE MD 1 101 PHE QD . . 8.060 2.789 1.925 3.665 . 0 0 "[ . 1 . 2 ]" 1
907 1 82 ILE MD 1 101 PHE QE . . 7.530 2.520 2.360 2.829 . 0 0 "[ . 1 . 2 ]" 1
908 1 83 SER H 1 84 PRO HA . . 4.250 4.696 4.623 4.833 0.583 3 4 "[ + . 1 . -* *]" 1
909 1 83 SER HA 1 84 PRO HD3 . . 3.960 2.130 2.023 2.274 . 0 0 "[ . 1 . 2 ]" 1
910 1 83 SER HA 1 85 ALA H . . 4.940 3.960 3.837 4.092 . 0 0 "[ . 1 . 2 ]" 1
911 1 84 PRO HA 1 85 ALA H . . 3.500 3.298 3.219 3.395 . 0 0 "[ . 1 . 2 ]" 1
912 1 84 PRO HA 1 86 VAL H . . 3.950 3.788 3.729 3.913 . 0 0 "[ . 1 . 2 ]" 1
913 1 84 PRO HA 1 87 LYS H . . 3.700 3.988 3.854 4.106 0.406 14 0 "[ . 1 . 2 ]" 1
914 1 85 ALA H 1 86 VAL H . . 3.210 2.364 2.166 2.839 . 0 0 "[ . 1 . 2 ]" 1
915 1 85 ALA H 1 86 VAL HB . . 3.080 3.478 3.387 3.567 0.487 8 0 "[ . 1 . 2 ]" 1
916 1 85 ALA H 1 87 LYS H . . 4.970 3.709 3.521 3.938 . 0 0 "[ . 1 . 2 ]" 1
917 1 85 ALA HA 1 86 VAL H . . 3.450 2.989 2.778 3.100 . 0 0 "[ . 1 . 2 ]" 1
918 1 85 ALA HA 1 87 LYS H . . 4.380 4.479 4.360 4.529 0.149 3 0 "[ . 1 . 2 ]" 1
919 1 85 ALA HA 1 88 ARG H . . 3.700 3.964 3.869 4.080 0.380 10 0 "[ . 1 . 2 ]" 1
920 1 85 ALA MB 1 86 VAL H . . 4.080 3.676 3.598 3.771 . 0 0 "[ . 1 . 2 ]" 1
921 1 85 ALA MB 1 86 VAL HA . . 6.530 4.309 4.240 4.360 . 0 0 "[ . 1 . 2 ]" 1
922 1 86 VAL H 1 86 VAL HB . . 2.800 2.646 2.514 2.839 0.039 12 0 "[ . 1 . 2 ]" 1
923 1 86 VAL H 1 87 LYS H . . 2.830 1.713 1.666 1.775 . 0 0 "[ . 1 . 2 ]" 1
924 1 86 VAL H 1 88 ARG H . . 4.260 2.761 2.496 2.957 . 0 0 "[ . 1 . 2 ]" 1
925 1 86 VAL HA 1 86 VAL HB . . 2.900 2.976 2.875 3.005 0.105 14 0 "[ . 1 . 2 ]" 1
926 1 86 VAL HA 1 89 LEU H . . 3.520 3.733 3.606 3.876 0.356 18 0 "[ . 1 . 2 ]" 1
927 1 86 VAL HB 1 87 LYS H . . 3.080 2.964 2.820 3.202 0.122 10 0 "[ . 1 . 2 ]" 1
928 1 86 VAL QG 1 87 LYS H . . 6.070 3.048 2.454 3.243 . 0 0 "[ . 1 . 2 ]" 1
929 1 86 VAL QG 1 88 ARG H . . 5.170 4.100 3.960 4.166 . 0 0 "[ . 1 . 2 ]" 1
930 1 87 LYS H 1 88 ARG H . . 2.990 2.518 2.442 2.568 . 0 0 "[ . 1 . 2 ]" 1
931 1 87 LYS HA 1 88 ARG H . . 3.500 3.404 3.342 3.469 . 0 0 "[ . 1 . 2 ]" 1
932 1 87 LYS HA 1 90 PHE H . . 3.410 3.317 3.115 3.406 . 0 0 "[ . 1 . 2 ]" 1
933 1 87 LYS HA 1 90 PHE QD . . 6.010 2.132 1.996 2.479 . 0 0 "[ . 1 . 2 ]" 1
934 1 87 LYS HA 1 90 PHE QE . . 5.420 3.507 3.391 3.834 . 0 0 "[ . 1 . 2 ]" 1
935 1 87 LYS HA 1 90 PHE HZ . . 5.500 5.791 5.703 6.002 0.502 7 1 "[ . + 1 . 2 ]" 1
936 1 87 LYS HA 1 91 ASP H . . 4.200 4.291 4.184 4.673 0.473 24 0 "[ . 1 . 2 ]" 1
937 1 87 LYS HA 1 96 PHE QD . . 6.010 5.167 4.909 5.692 . 0 0 "[ . 1 . 2 ]" 1
938 1 87 LYS HA 1 96 PHE QE . . 5.420 3.381 3.062 3.853 . 0 0 "[ . 1 . 2 ]" 1
939 1 87 LYS HA 1 96 PHE HZ . . 4.350 2.462 2.055 3.661 . 0 0 "[ . 1 . 2 ]" 1
940 1 88 ARG H 1 88 ARG HA . . 2.680 2.799 2.771 2.849 0.169 12 0 "[ . 1 . 2 ]" 1
941 1 88 ARG H 1 89 LEU H . . 2.800 2.516 2.356 2.596 . 0 0 "[ . 1 . 2 ]" 1
942 1 88 ARG H 1 90 PHE H . . 4.880 4.362 4.167 4.479 . 0 0 "[ . 1 . 2 ]" 1
943 1 88 ARG HA 1 89 LEU H . . 3.530 3.503 3.452 3.551 0.021 7 0 "[ . 1 . 2 ]" 1
944 1 88 ARG HA 1 91 ASP H . . 3.350 2.992 2.879 3.082 . 0 0 "[ . 1 . 2 ]" 1
945 1 88 ARG HA 1 91 ASP HA . . 4.420 4.665 4.574 4.797 0.377 24 0 "[ . 1 . 2 ]" 1
946 1 88 ARG HA 1 91 ASP HB3 . . 3.520 2.754 2.529 3.300 . 0 0 "[ . 1 . 2 ]" 1
947 1 88 ARG HA 1 92 MET H . . 4.200 3.797 3.402 4.274 0.074 24 0 "[ . 1 . 2 ]" 1
948 1 89 LEU H 1 89 LEU HA . . 2.930 2.815 2.775 2.852 . 0 0 "[ . 1 . 2 ]" 1
949 1 89 LEU H 1 89 LEU HG . . 3.830 3.238 2.578 3.913 0.083 20 0 "[ . 1 . 2 ]" 1
950 1 89 LEU H 1 90 PHE H . . 2.800 2.622 2.492 2.756 . 0 0 "[ . 1 . 2 ]" 1
951 1 89 LEU H 1 90 PHE QD . . 7.620 3.536 3.209 4.178 . 0 0 "[ . 1 . 2 ]" 1
952 1 89 LEU H 1 91 ASP H . . 4.200 3.628 3.504 3.895 . 0 0 "[ . 1 . 2 ]" 1
953 1 89 LEU HA 1 89 LEU MD1 . . 4.700 3.720 3.043 3.870 . 0 0 "[ . 1 . 2 ]" 1
954 1 89 LEU HA 1 89 LEU QD . . 4.070 2.258 1.910 2.860 . 0 0 "[ . 1 . 2 ]" 1
955 1 89 LEU HA 1 89 LEU MD2 . . 4.700 2.312 1.915 3.477 . 0 0 "[ . 1 . 2 ]" 1
956 1 89 LEU HA 1 90 PHE H . . 3.510 3.609 3.587 3.616 0.106 17 0 "[ . 1 . 2 ]" 1
957 1 89 LEU HA 1 90 PHE QD . . 7.620 5.124 4.859 5.500 . 0 0 "[ . 1 . 2 ]" 1
958 1 89 LEU HA 1 91 ASP H . . 4.490 4.272 4.150 4.453 . 0 0 "[ . 1 . 2 ]" 1
959 1 89 LEU HA 1 92 MET H . . 3.400 3.805 3.656 3.867 0.467 19 0 "[ . 1 . 2 ]" 1
960 1 89 LEU HA 1 92 MET HB3 . . 5.000 3.799 3.297 4.990 . 0 0 "[ . 1 . 2 ]" 1
961 1 89 LEU QD 1 90 PHE QD . . 7.150 4.346 3.983 4.564 . 0 0 "[ . 1 . 2 ]" 1
962 1 89 LEU QD 1 90 PHE QE . . 6.880 3.856 3.187 4.323 . 0 0 "[ . 1 . 2 ]" 1
963 1 89 LEU MD1 1 90 PHE QD . . 7.500 4.673 4.094 5.052 . 0 0 "[ . 1 . 2 ]" 1
964 1 89 LEU MD1 1 90 PHE QE . . 7.350 3.997 3.212 4.638 . 0 0 "[ . 1 . 2 ]" 1
965 1 89 LEU MD2 1 90 PHE QD . . 7.500 5.213 4.903 5.456 . 0 0 "[ . 1 . 2 ]" 1
966 1 89 LEU MD2 1 90 PHE QE . . 7.350 5.246 4.389 5.561 . 0 0 "[ . 1 . 2 ]" 1
967 1 90 PHE H 1 90 PHE HB3 . . 3.420 3.506 3.461 3.528 0.108 3 0 "[ . 1 . 2 ]" 1
968 1 90 PHE H 1 91 ASP H . . 2.810 2.327 2.245 2.427 . 0 0 "[ . 1 . 2 ]" 1
969 1 90 PHE HA 1 91 ASP H . . 3.500 3.508 3.482 3.564 0.064 24 0 "[ . 1 . 2 ]" 1
970 1 90 PHE HA 1 96 PHE QD . . 6.600 4.467 4.380 4.565 . 0 0 "[ . 1 . 2 ]" 1
971 1 90 PHE HB3 1 91 ASP H . . 4.110 4.095 3.738 4.191 0.081 23 0 "[ . 1 . 2 ]" 1
972 1 90 PHE QD 1 91 ASP H . . 7.620 3.820 3.693 4.209 . 0 0 "[ . 1 . 2 ]" 1
973 1 90 PHE QD 1 95 LEU QD . . 10.220 5.560 5.006 6.189 . 0 0 "[ . 1 . 2 ]" 1
974 1 90 PHE QD 1 96 PHE QD . . 9.740 3.338 3.069 3.630 . 0 0 "[ . 1 . 2 ]" 1
975 1 90 PHE QD 1 96 PHE QE . . 9.740 3.104 2.562 3.841 . 0 0 "[ . 1 . 2 ]" 1
976 1 90 PHE QE 1 96 PHE QD . . 9.740 4.805 4.641 5.011 . 0 0 "[ . 1 . 2 ]" 1
977 1 90 PHE QE 1 101 PHE H . . 7.620 7.022 6.447 7.180 . 0 0 "[ . 1 . 2 ]" 1
978 1 90 PHE HZ 1 96 PHE QE . . 7.620 5.022 4.781 6.084 . 0 0 "[ . 1 . 2 ]" 1
979 1 91 ASP H 1 91 ASP HB3 . . 3.110 3.125 3.082 3.186 0.076 12 0 "[ . 1 . 2 ]" 1
980 1 91 ASP H 1 92 MET H . . 2.870 2.494 2.429 2.613 . 0 0 "[ . 1 . 2 ]" 1
981 1 91 ASP H 1 92 MET HA . . 4.750 5.068 5.003 5.158 0.408 24 0 "[ . 1 . 2 ]" 1
982 1 91 ASP H 1 93 SER H . . 4.200 3.865 3.712 4.356 0.156 24 0 "[ . 1 . 2 ]" 1
983 1 91 ASP H 1 96 PHE QD . . 7.620 3.838 3.634 4.229 . 0 0 "[ . 1 . 2 ]" 1
984 1 91 ASP H 1 96 PHE QE . . 7.620 3.629 3.351 4.244 . 0 0 "[ . 1 . 2 ]" 1
985 1 91 ASP HA 1 91 ASP HB3 . . 2.930 2.928 2.895 2.954 0.024 20 0 "[ . 1 . 2 ]" 1
986 1 91 ASP HA 1 92 MET H . . 3.570 3.583 3.575 3.590 0.020 7 0 "[ . 1 . 2 ]" 1
987 1 91 ASP HA 1 92 MET HA . . 4.790 4.675 4.530 4.732 . 0 0 "[ . 1 . 2 ]" 1
988 1 91 ASP HA 1 94 GLY H . . 3.890 3.882 3.672 4.835 0.945 24 1 "[ . 1 . 2 +]" 1
989 1 91 ASP HA 1 96 PHE QD . . 5.200 2.462 2.210 2.912 . 0 0 "[ . 1 . 2 ]" 1
990 1 91 ASP HA 1 96 PHE QE . . 5.920 3.749 3.544 4.329 . 0 0 "[ . 1 . 2 ]" 1
991 1 91 ASP HA 1 96 PHE HZ . . 5.500 5.820 5.680 5.957 0.457 24 0 "[ . 1 . 2 ]" 1
992 1 91 ASP HB3 1 92 MET H . . 3.170 3.015 2.946 3.092 . 0 0 "[ . 1 . 2 ]" 1
993 1 92 MET H 1 92 MET HB3 . . 3.860 2.602 2.314 3.481 . 0 0 "[ . 1 . 2 ]" 1
994 1 92 MET H 1 93 SER H . . 3.050 2.335 2.195 2.501 . 0 0 "[ . 1 . 2 ]" 1
995 1 93 SER H 1 93 SER HB3 . . 3.330 2.740 2.267 3.332 0.002 22 0 "[ . 1 . 2 ]" 1
996 1 93 SER H 1 94 GLY H . . 3.240 2.624 2.553 2.756 . 0 0 "[ . 1 . 2 ]" 1
997 1 94 GLY H 1 95 LEU H . . 3.860 2.601 2.138 4.385 0.525 24 1 "[ . 1 . 2 +]" 1
998 1 94 GLY H 1 96 PHE H . . 3.550 3.330 2.958 3.903 0.353 24 0 "[ . 1 . 2 ]" 1
999 1 95 LEU H 1 95 LEU HA . . 2.930 2.921 2.888 2.939 0.009 13 0 "[ . 1 . 2 ]" 1
1000 1 95 LEU H 1 95 LEU HB3 . . 3.170 2.782 2.687 3.029 . 0 0 "[ . 1 . 2 ]" 1
1001 1 95 LEU H 1 95 LEU HG . . 4.540 4.642 4.538 4.714 0.174 5 0 "[ . 1 . 2 ]" 1
1002 1 95 LEU H 1 96 PHE H . . 3.140 2.375 2.022 2.893 . 0 0 "[ . 1 . 2 ]" 1
1003 1 95 LEU HA 1 95 LEU HG . . 3.980 3.100 2.460 3.254 . 0 0 "[ . 1 . 2 ]" 1
1004 1 95 LEU HA 1 96 PHE H . . 3.300 3.178 2.889 3.211 . 0 0 "[ . 1 . 2 ]" 1
1005 1 95 LEU QD 1 96 PHE H . . 7.630 4.240 3.928 4.606 . 0 0 "[ . 1 . 2 ]" 1
1006 1 96 PHE H 1 96 PHE HB3 . . 2.860 3.057 3.011 3.353 0.493 24 0 "[ . 1 . 2 ]" 1
1007 1 96 PHE H 1 97 LYS H . . 3.390 2.869 2.736 3.350 . 0 0 "[ . 1 . 2 ]" 1
1008 1 96 PHE HA 1 96 PHE QE . . 5.820 4.135 4.030 4.200 . 0 0 "[ . 1 . 2 ]" 1
1009 1 96 PHE HA 1 98 ILE H . . 3.730 3.683 3.596 3.882 0.152 24 0 "[ . 1 . 2 ]" 1
1010 1 96 PHE HA 1 99 ILE H . . 3.170 3.177 2.974 3.249 0.079 4 0 "[ . 1 . 2 ]" 1
1011 1 96 PHE HA 1 101 PHE QD . . 7.620 5.504 4.976 6.069 . 0 0 "[ . 1 . 2 ]" 1
1012 1 96 PHE QD 1 99 ILE MD . . 8.340 4.805 3.774 5.274 . 0 0 "[ . 1 . 2 ]" 1
1013 1 96 PHE QD 1 99 ILE MG . . 8.370 2.924 2.135 3.356 . 0 0 "[ . 1 . 2 ]" 1
1014 1 96 PHE QD 1 101 PHE HA . . 7.620 5.423 5.236 5.709 . 0 0 "[ . 1 . 2 ]" 1
1015 1 96 PHE QD 1 101 PHE QD . . 9.000 3.943 3.418 4.378 . 0 0 "[ . 1 . 2 ]" 1
1016 1 96 PHE QD 1 101 PHE QE . . 9.740 5.947 5.460 6.372 . 0 0 "[ . 1 . 2 ]" 1
1017 1 96 PHE QE 1 99 ILE MG . . 8.650 2.871 2.118 3.471 . 0 0 "[ . 1 . 2 ]" 1
1018 1 96 PHE QE 1 101 PHE HA . . 6.540 4.572 4.454 4.704 . 0 0 "[ . 1 . 2 ]" 1
1019 1 96 PHE QE 1 101 PHE HB3 . . 5.760 2.817 2.132 3.028 . 0 0 "[ . 1 . 2 ]" 1
1020 1 96 PHE HZ 1 101 PHE QD . . 7.620 4.090 3.608 4.487 . 0 0 "[ . 1 . 2 ]" 1
1021 1 96 PHE HZ 1 101 PHE QE . . 7.620 5.254 4.737 5.984 . 0 0 "[ . 1 . 2 ]" 1
1022 1 97 LYS H 1 97 LYS HB3 . . 3.580 3.529 3.504 3.544 . 0 0 "[ . 1 . 2 ]" 1
1023 1 97 LYS H 1 98 ILE H . . 2.930 2.609 2.577 2.640 . 0 0 "[ . 1 . 2 ]" 1
1024 1 97 LYS HA 1 98 ILE H . . 3.360 3.500 3.482 3.531 0.171 4 0 "[ . 1 . 2 ]" 1
1025 1 98 ILE H 1 98 ILE HB . . 3.080 2.325 2.102 3.566 0.486 20 0 "[ . 1 . 2 ]" 1
1026 1 98 ILE H 1 98 ILE MD . . 5.290 4.443 4.275 4.522 . 0 0 "[ . 1 . 2 ]" 1
1027 1 98 ILE H 1 98 ILE HG13 . . 3.760 4.034 3.156 4.320 0.560 18 2 "[ . - 1 . + 2 ]" 1
1028 1 98 ILE H 1 99 ILE H . . 2.740 2.372 2.269 2.467 . 0 0 "[ . 1 . 2 ]" 1
1029 1 98 ILE HA 1 98 ILE HB . . 2.680 2.690 2.200 2.780 0.100 22 0 "[ . 1 . 2 ]" 1
1030 1 98 ILE HA 1 100 ARG H . . 3.670 4.092 3.973 4.161 0.491 20 0 "[ . 1 . 2 ]" 1
1031 1 98 ILE HB 1 99 ILE H . . 4.510 3.979 3.615 4.703 0.193 19 0 "[ . 1 . 2 ]" 1
1032 1 98 ILE MD 1 99 ILE H . . 6.530 4.854 4.473 5.195 . 0 0 "[ . 1 . 2 ]" 1
1033 1 98 ILE MG 1 99 ILE H . . 5.880 3.126 2.556 3.782 . 0 0 "[ . 1 . 2 ]" 1
1034 1 99 ILE H 1 99 ILE HB . . 3.550 2.440 2.206 2.507 . 0 0 "[ . 1 . 2 ]" 1
1035 1 99 ILE H 1 99 ILE MD . . 5.380 3.651 2.465 4.182 . 0 0 "[ . 1 . 2 ]" 1
1036 1 99 ILE H 1 100 ARG H . . 4.010 1.853 1.707 2.189 . 0 0 "[ . 1 . 2 ]" 1
1037 1 99 ILE HA 1 99 ILE MG . . 3.520 2.574 2.452 2.821 . 0 0 "[ . 1 . 2 ]" 1
1038 1 99 ILE HB 1 100 ARG H . . 3.210 3.403 3.219 3.560 0.350 6 0 "[ . 1 . 2 ]" 1
1039 1 99 ILE MD 1 100 ARG H . . 5.810 4.663 4.312 4.853 . 0 0 "[ . 1 . 2 ]" 1
1040 1 99 ILE MD 1 101 PHE QD . . 8.650 4.666 3.574 5.354 . 0 0 "[ . 1 . 2 ]" 1
1041 1 99 ILE MG 1 100 ARG H . . 4.640 3.719 3.319 3.889 . 0 0 "[ . 1 . 2 ]" 1
1042 1 99 ILE MG 1 101 PHE QD . . 8.650 1.876 1.736 2.039 . 0 0 "[ . 1 . 2 ]" 1
1043 1 99 ILE MG 1 101 PHE QE . . 8.280 3.195 2.658 3.562 . 0 0 "[ . 1 . 2 ]" 1
1044 1 100 ARG H 1 101 PHE H . . 3.670 3.622 3.483 3.681 0.011 20 0 "[ . 1 . 2 ]" 1
1045 1 100 ARG HA 1 100 ARG HG3 . . 3.670 2.895 2.002 3.742 0.072 24 0 "[ . 1 . 2 ]" 1
1046 1 100 ARG HA 1 101 PHE H . . 2.400 2.343 2.306 2.417 0.017 24 0 "[ . 1 . 2 ]" 1
1047 1 100 ARG HA 1 101 PHE QD . . 7.620 5.620 5.418 5.869 . 0 0 "[ . 1 . 2 ]" 1
1048 1 101 PHE H 1 102 GLU H . . 4.360 4.520 4.462 4.561 0.201 24 0 "[ . 1 . 2 ]" 1
1049 1 101 PHE HA 1 102 GLU H . . 2.650 2.550 2.496 2.687 0.037 20 0 "[ . 1 . 2 ]" 1
1050 1 101 PHE HB3 1 102 GLU H . . 3.730 2.966 2.585 3.207 . 0 0 "[ . 1 . 2 ]" 1
1051 1 101 PHE QD 1 102 GLU H . . 7.470 1.787 1.693 1.857 . 0 0 "[ . 1 . 2 ]" 1
1052 1 101 PHE QD 1 102 GLU HA . . 7.620 3.855 3.235 4.138 . 0 0 "[ . 1 . 2 ]" 1
1053 1 101 PHE QE 1 102 GLU H . . 7.620 3.694 3.521 3.891 . 0 0 "[ . 1 . 2 ]" 1
1054 1 102 GLU H 1 102 GLU HB3 . . 3.920 3.265 3.140 3.948 0.028 20 0 "[ . 1 . 2 ]" 1
1055 1 102 GLU H 1 103 GLN H . . 4.690 4.071 3.896 4.130 . 0 0 "[ . 1 . 2 ]" 1
1056 1 102 GLU HA 1 103 GLN H . . 3.140 3.074 2.251 3.239 0.099 9 0 "[ . 1 . 2 ]" 1
1057 1 102 GLU HA 1 103 GLN HA . . 4.250 4.609 4.413 4.657 0.407 9 0 "[ . 1 . 2 ]" 1
1058 1 102 GLU HB3 1 103 GLN H . . 3.450 1.843 1.554 3.283 . 0 0 "[ . 1 . 2 ]" 1
1059 1 103 GLN H 1 104 SER H . . 3.420 3.545 2.113 3.853 0.433 9 0 "[ . 1 . 2 ]" 1
1060 1 104 SER H 1 104 SER HA . . 2.620 2.177 2.173 2.183 . 0 0 "[ . 1 . 2 ]" 1
1061 1 104 SER H 1 104 SER HB3 . . 3.520 3.395 3.314 3.447 . 0 0 "[ . 1 . 2 ]" 1
1062 1 104 SER H 1 105 GLU H . . 4.380 3.827 3.736 4.145 . 0 0 "[ . 1 . 2 ]" 1
1063 1 104 SER HA 1 105 GLU H . . 3.550 3.646 3.607 3.649 0.099 14 0 "[ . 1 . 2 ]" 1
1064 1 104 SER HA 1 105 GLU HA . . 4.500 4.895 4.579 4.924 0.424 15 0 "[ . 1 . 2 ]" 1
1065 1 104 SER HA 1 106 GLN H . . 4.500 3.810 3.710 4.514 0.014 20 0 "[ . 1 . 2 ]" 1
1066 1 104 SER HA 1 107 GLN H . . 4.260 3.554 3.067 4.188 . 0 0 "[ . 1 . 2 ]" 1
1067 1 104 SER HB3 1 105 GLU H . . 4.390 2.261 2.050 2.402 . 0 0 "[ . 1 . 2 ]" 1
1068 1 105 GLU H 1 105 GLU HB3 . . 3.210 2.595 2.363 2.744 . 0 0 "[ . 1 . 2 ]" 1
1069 1 105 GLU H 1 106 GLN H . . 2.860 2.961 2.459 3.028 0.168 9 0 "[ . 1 . 2 ]" 1
1070 1 105 GLU HA 1 106 GLN H . . 3.500 3.549 3.514 3.563 0.063 9 0 "[ . 1 . 2 ]" 1
1071 1 106 GLN H 1 106 GLN HA . . 2.900 2.786 2.687 2.833 . 0 0 "[ . 1 . 2 ]" 1
1072 1 106 GLN H 1 106 GLN HB3 . . 2.740 2.188 2.122 2.528 . 0 0 "[ . 1 . 2 ]" 1
1073 1 106 GLN H 1 106 GLN HG3 . . 5.500 4.404 4.348 4.436 . 0 0 "[ . 1 . 2 ]" 1
1074 1 106 GLN H 1 107 GLN H . . 2.840 2.637 2.440 2.830 . 0 0 "[ . 1 . 2 ]" 1
1075 1 106 GLN H 1 108 ALA H . . 4.280 4.653 4.395 4.745 0.465 19 0 "[ . 1 . 2 ]" 1
1076 1 106 GLN HA 1 106 GLN HG3 . . 3.520 2.737 2.452 2.868 . 0 0 "[ . 1 . 2 ]" 1
1077 1 106 GLN HA 1 107 GLN H . . 3.540 3.411 3.357 3.508 . 0 0 "[ . 1 . 2 ]" 1
1078 1 106 GLN HA 1 109 LEU H . . 3.400 2.741 2.615 2.940 . 0 0 "[ . 1 . 2 ]" 1
1079 1 106 GLN HA 1 109 LEU HB3 . . 3.600 3.607 2.467 3.821 0.221 20 0 "[ . 1 . 2 ]" 1
1080 1 106 GLN HG3 1 107 GLN H . . 4.420 4.494 4.342 4.610 0.190 19 0 "[ . 1 . 2 ]" 1
1081 1 106 GLN HG3 1 108 ALA H . . 4.970 4.325 4.182 4.539 . 0 0 "[ . 1 . 2 ]" 1
1082 1 107 GLN H 1 107 GLN HA . . 2.550 2.611 2.590 2.660 0.110 9 0 "[ . 1 . 2 ]" 1
1083 1 107 GLN H 1 107 GLN HB3 . . 3.400 2.439 2.135 2.800 . 0 0 "[ . 1 . 2 ]" 1
1084 1 107 GLN H 1 107 GLN QE . . 6.370 5.011 3.241 5.713 . 0 0 "[ . 1 . 2 ]" 1
1085 1 107 GLN H 1 108 ALA H . . 2.900 2.987 2.880 3.040 0.140 24 0 "[ . 1 . 2 ]" 1
1086 1 107 GLN HA 1 108 ALA H . . 3.540 3.548 3.479 3.569 0.029 24 0 "[ . 1 . 2 ]" 1
1087 1 107 GLN HA 1 110 LEU H . . 3.560 3.667 3.506 3.798 0.238 14 0 "[ . 1 . 2 ]" 1
1088 1 107 GLN HA 1 110 LEU HB3 . . 4.170 3.181 2.223 4.285 0.115 16 0 "[ . 1 . 2 ]" 1
1089 1 107 GLN HA 1 110 LEU QD . . 5.340 2.628 1.729 3.493 . 0 0 "[ . 1 . 2 ]" 1
1090 1 108 ALA H 1 109 LEU H . . 2.800 2.437 2.232 2.667 . 0 0 "[ . 1 . 2 ]" 1
1091 1 108 ALA H 1 110 LEU QD . . 7.420 4.947 4.272 5.399 . 0 0 "[ . 1 . 2 ]" 1
1092 1 108 ALA HA 1 111 THR H . . 3.410 3.766 3.628 3.934 0.524 21 1 "[ . 1 . 2+ ]" 1
1093 1 108 ALA MB 1 109 LEU H . . 4.140 2.427 2.140 2.760 . 0 0 "[ . 1 . 2 ]" 1
1094 1 109 LEU H 1 109 LEU HA . . 2.800 2.803 2.783 2.845 0.045 9 0 "[ . 1 . 2 ]" 1
1095 1 109 LEU H 1 109 LEU HB3 . . 3.140 3.135 2.241 3.234 0.094 7 0 "[ . 1 . 2 ]" 1
1096 1 109 LEU H 1 109 LEU MD1 . . 5.040 3.828 3.433 4.332 . 0 0 "[ . 1 . 2 ]" 1
1097 1 109 LEU H 1 109 LEU QD . . 4.530 3.458 2.724 3.692 . 0 0 "[ . 1 . 2 ]" 1
1098 1 109 LEU H 1 109 LEU MD2 . . 5.040 4.121 2.754 4.381 . 0 0 "[ . 1 . 2 ]" 1
1099 1 109 LEU H 1 109 LEU HG . . 3.780 3.689 3.536 4.253 0.473 9 0 "[ . 1 . 2 ]" 1
1100 1 109 LEU H 1 110 LEU H . . 2.880 2.599 2.457 2.671 . 0 0 "[ . 1 . 2 ]" 1
1101 1 109 LEU H 1 111 THR H . . 4.200 4.472 4.330 4.618 0.418 21 0 "[ . 1 . 2 ]" 1
1102 1 109 LEU HA 1 109 LEU HG . . 3.550 2.488 2.156 3.571 0.021 7 0 "[ . 1 . 2 ]" 1
1103 1 109 LEU HA 1 110 LEU H . . 3.530 3.477 3.417 3.539 0.009 16 0 "[ . 1 . 2 ]" 1
1104 1 109 LEU HA 1 112 LEU H . . 3.450 3.729 3.645 4.043 0.593 20 1 "[ . 1 . + ]" 1
1105 1 109 LEU HB3 1 110 LEU H . . 4.700 3.524 3.228 3.711 . 0 0 "[ . 1 . 2 ]" 1
1106 1 110 LEU H 1 110 LEU HA . . 2.860 2.761 2.700 2.804 . 0 0 "[ . 1 . 2 ]" 1
1107 1 110 LEU H 1 110 LEU HB3 . . 3.770 2.744 2.032 3.533 . 0 0 "[ . 1 . 2 ]" 1
1108 1 110 LEU H 1 110 LEU HG . . 4.910 3.980 2.202 4.474 . 0 0 "[ . 1 . 2 ]" 1
1109 1 110 LEU H 1 111 THR H . . 2.860 2.747 2.586 2.925 0.065 21 0 "[ . 1 . 2 ]" 1
1110 1 110 LEU HA 1 111 THR H . . 3.500 3.590 3.521 3.615 0.115 9 0 "[ . 1 . 2 ]" 1
1111 1 110 LEU HA 1 113 GLY H . . 4.100 4.653 4.483 4.788 0.688 3 18 "[**+ * *** - ******2****]" 1
1112 1 110 LEU HB3 1 111 THR H . . 4.300 2.991 2.705 3.660 . 0 0 "[ . 1 . 2 ]" 1
1113 1 111 THR H 1 111 THR HA . . 2.620 2.786 2.744 2.805 0.185 23 0 "[ . 1 . 2 ]" 1
1114 1 111 THR H 1 111 THR HB . . 2.710 2.027 1.948 2.692 . 0 0 "[ . 1 . 2 ]" 1
1115 1 111 THR H 1 111 THR MG . . 3.830 3.452 3.339 3.668 . 0 0 "[ . 1 . 2 ]" 1
1116 1 111 THR H 1 112 LEU H . . 2.890 2.795 2.763 2.840 . 0 0 "[ . 1 . 2 ]" 1
1117 1 111 THR H 1 113 GLY H . . 4.200 3.588 3.427 3.740 . 0 0 "[ . 1 . 2 ]" 1
1118 1 111 THR HA 1 111 THR MG . . 3.490 2.790 2.260 2.928 . 0 0 "[ . 1 . 2 ]" 1
1119 1 111 THR HA 1 112 LEU H . . 3.570 3.345 3.297 3.397 . 0 0 "[ . 1 . 2 ]" 1
1120 1 111 THR HA 1 112 LEU QD . . 8.100 4.359 3.765 5.061 . 0 0 "[ . 1 . 2 ]" 1
1121 1 111 THR HB 1 112 LEU H . . 3.610 3.767 3.592 3.853 0.243 16 0 "[ . 1 . 2 ]" 1
1122 1 112 LEU H 1 112 LEU HA . . 2.710 2.299 2.270 2.325 . 0 0 "[ . 1 . 2 ]" 1
1123 1 112 LEU H 1 112 LEU HG . . 4.540 4.568 4.173 5.051 0.511 14 1 "[ . 1 +. 2 ]" 1
1124 1 112 LEU H 1 113 GLY H . . 2.820 2.040 1.949 2.126 . 0 0 "[ . 1 . 2 ]" 1
1125 1 112 LEU H 1 114 VAL H . . 4.400 4.104 3.813 4.439 0.039 6 0 "[ . 1 . 2 ]" 1
1126 1 112 LEU HA 1 113 GLY H . . 3.500 3.052 2.979 3.193 . 0 0 "[ . 1 . 2 ]" 1
1127 1 112 LEU HB3 1 113 GLY H . . 5.340 4.300 4.058 4.482 . 0 0 "[ . 1 . 2 ]" 1
1128 1 112 LEU QD 1 113 GLY QA . . 7.610 3.889 2.814 4.317 . 0 0 "[ . 1 . 2 ]" 1
1129 1 112 LEU QD 1 114 VAL HA . . 6.550 3.903 3.097 4.823 . 0 0 "[ . 1 . 2 ]" 1
1130 1 112 LEU QD 1 115 ALA H . . 8.100 4.347 2.705 5.926 . 0 0 "[ . 1 . 2 ]" 1
1131 1 113 GLY H 1 113 GLY HA2 . . 2.710 2.263 2.246 2.378 . 0 0 "[ . 1 . 2 ]" 1
1132 1 113 GLY H 1 113 GLY HA3 . . 2.710 2.747 2.682 2.951 0.241 24 0 "[ . 1 . 2 ]" 1
1133 1 113 GLY H 1 114 VAL H . . 2.830 2.848 2.373 3.054 0.224 13 0 "[ . 1 . 2 ]" 1
1134 1 113 GLY HA2 1 114 VAL H . . 3.540 2.997 2.515 3.398 . 0 0 "[ . 1 . 2 ]" 1
1135 1 113 GLY HA3 1 114 VAL H . . 3.540 3.556 3.310 3.645 0.105 24 0 "[ . 1 . 2 ]" 1
1136 1 114 VAL H 1 114 VAL HA . . 2.620 2.817 2.212 2.941 0.321 11 0 "[ . 1 . 2 ]" 1
1137 1 114 VAL H 1 114 VAL HB . . 2.400 2.814 2.506 3.134 0.734 21 7 "[ * *. * 1 * . 2+* -]" 1
1138 1 114 VAL H 1 114 VAL QG . . 4.030 3.068 2.286 3.333 . 0 0 "[ . 1 . 2 ]" 1
1139 1 114 VAL H 1 115 ALA H . . 3.300 3.269 2.820 4.029 0.729 17 3 "[ . 1* .-+ 2 ]" 1
1140 1 114 VAL HA 1 114 VAL MG1 . . 3.520 2.588 2.194 3.163 . 0 0 "[ . 1 . 2 ]" 1
1141 1 114 VAL HA 1 114 VAL MG2 . . 3.520 2.188 1.969 2.551 . 0 0 "[ . 1 . 2 ]" 1
1142 1 114 VAL HA 1 115 ALA H . . 2.400 2.518 2.191 3.176 0.776 16 3 "[ . 1* .+- 2 ]" 1
1143 1 114 VAL QG 1 115 ALA H . . 6.570 3.285 1.779 3.667 . 0 0 "[ . 1 . 2 ]" 1
1144 1 115 ALA H 1 115 ALA HA . . 2.740 2.597 2.254 2.888 0.148 24 0 "[ . 1 . 2 ]" 1
1145 1 115 ALA H 1 115 ALA MB . . 3.610 2.923 2.579 3.071 . 0 0 "[ . 1 . 2 ]" 1
1146 1 115 ALA H 1 116 SER H . . 3.210 3.148 2.986 3.257 0.047 7 0 "[ . 1 . 2 ]" 1
1147 1 115 ALA HA 1 116 SER H . . 2.860 2.363 2.234 2.895 0.035 17 0 "[ . 1 . 2 ]" 1
1148 1 115 ALA MB 1 116 SER H . . 4.260 3.643 3.582 3.749 . 0 0 "[ . 1 . 2 ]" 1
1149 1 116 SER H 1 116 SER HA . . 2.520 2.231 2.168 2.614 0.094 14 0 "[ . 1 . 2 ]" 1
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