NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603454 |
2nbb   |
25970 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nbb
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 1083
_Distance_constraint_stats_list.Viol_count 2362
_Distance_constraint_stats_list.Viol_total 6941.902
_Distance_constraint_stats_list.Viol_max 1.749
_Distance_constraint_stats_list.Viol_rms 0.1024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0178
_Distance_constraint_stats_list.Viol_average_violations_only 0.1547
_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 GLY 0.987 0.724 13 1 "[ . 1 + . ]"
1 2 SER 1.059 0.853 7 1 "[ . + 1 . ]"
1 3 GLU 0.688 0.086 17 0 "[ . 1 . ]"
1 4 ASN 6.628 0.993 18 6 "[- . * 1 * ** + ]"
1 5 PHE 3.172 0.084 5 0 "[ . 1 . ]"
1 6 GLN 2.534 0.087 17 0 "[ . 1 . ]"
1 7 THR 1.601 0.123 10 0 "[ . 1 . ]"
1 8 LEU 3.600 0.228 18 0 "[ . 1 . ]"
1 9 LEU 2.353 0.090 2 0 "[ . 1 . ]"
1 10 ASP 2.995 0.119 8 0 "[ . 1 . ]"
1 11 ALA 5.877 0.347 18 0 "[ . 1 . ]"
1 12 GLY 3.805 0.347 18 0 "[ . 1 . ]"
1 13 LEU 3.141 0.173 19 0 "[ . 1 . ]"
1 14 PRO 26.862 1.295 1 19 [+**********-*******]
1 15 GLN 2.178 0.109 6 0 "[ . 1 . ]"
1 16 LYS 19.924 1.562 9 16 "[******- +* ***** **]"
1 17 VAL 32.988 1.295 1 19 [+*****************-]
1 18 ALA 21.181 1.154 6 19 [*****+*********-***]
1 19 GLU 42.819 1.562 9 19 [********+******-***]
1 20 LYS 4.054 0.502 8 1 "[ . + 1 . ]"
1 21 LEU 3.274 0.113 16 0 "[ . 1 . ]"
1 22 ASP 40.119 1.749 17 19 [********-*******+**]
1 23 GLU 24.786 1.313 2 16 "[ +* *********** -**]"
1 24 ILE 53.556 1.739 10 19 [*****-***+*********]
1 25 TYR 44.314 1.749 17 19 [**************-*+**]
1 26 VAL 3.109 0.724 13 1 "[ . 1 + . ]"
1 27 ALA 2.267 0.141 19 0 "[ . 1 . ]"
1 28 GLY 0.657 0.077 6 0 "[ . 1 . ]"
1 29 LEU 8.679 0.822 15 2 "[ . 1 - + ]"
1 30 VAL 8.578 0.377 2 0 "[ . 1 . ]"
1 31 ALA 4.626 0.360 18 0 "[ . 1 . ]"
1 32 HIS 2.845 0.246 7 0 "[ . 1 . ]"
1 33 SER 1.525 0.110 9 0 "[ . 1 . ]"
1 34 ASP 4.263 0.377 2 0 "[ . 1 . ]"
1 35 LEU 1.655 0.091 18 0 "[ . 1 . ]"
1 36 ASP 1.806 0.172 13 0 "[ . 1 . ]"
1 37 GLU 1.782 0.090 14 0 "[ . 1 . ]"
1 38 ARG 6.920 0.382 14 0 "[ . 1 . ]"
1 39 ALA 3.352 0.125 19 0 "[ . 1 . ]"
1 40 ILE 5.462 0.113 7 0 "[ . 1 . ]"
1 41 GLU 1.557 0.076 10 0 "[ . 1 . ]"
1 42 ALA 1.845 0.084 19 0 "[ . 1 . ]"
1 43 LEU 5.138 0.115 13 0 "[ . 1 . ]"
1 44 LYS 2.395 0.424 19 0 "[ . 1 . ]"
1 45 GLU 1.913 0.601 17 1 "[ . 1 . + ]"
1 46 PHE 4.649 0.601 17 1 "[ . 1 . + ]"
1 47 ASN 5.581 0.178 7 0 "[ . 1 . ]"
1 48 GLU 4.662 0.167 6 0 "[ . 1 . ]"
1 49 ASP 1.585 0.091 5 0 "[ . 1 . ]"
1 50 GLY 1.040 0.089 12 0 "[ . 1 . ]"
1 51 ALA 8.132 0.126 12 0 "[ . 1 . ]"
1 52 LEU 1.675 0.084 11 0 "[ . 1 . ]"
1 53 ALA 2.544 0.149 13 0 "[ . 1 . ]"
1 54 VAL 2.225 0.114 13 0 "[ . 1 . ]"
1 55 LEU 1.398 0.126 12 0 "[ . 1 . ]"
1 56 GLN 3.556 0.111 17 0 "[ . 1 . ]"
1 57 GLN 2.884 0.099 12 0 "[ . 1 . ]"
1 58 PHE 3.209 0.274 11 0 "[ . 1 . ]"
1 59 LYS 30.132 1.739 10 14 "[****.- * +** *****]"
1 60 ASP 1.153 0.089 12 0 "[ . 1 . ]"
1 61 SER 6.969 0.826 7 3 "[ *. + 1 . - ]"
1 62 ASP 3.478 0.515 18 1 "[ . 1 . + ]"
1 63 LEU 6.690 0.497 6 0 "[ . 1 . ]"
1 64 SER 0.119 0.060 10 0 "[ . 1 . ]"
1 65 HIS 0.611 0.082 17 0 "[ . 1 . ]"
1 66 VAL 2.234 0.086 5 0 "[ . 1 . ]"
1 67 GLN 0.667 0.070 16 0 "[ . 1 . ]"
1 68 ASN 4.015 0.954 1 3 "[+ .** 1 . ]"
1 69 LYS 0.913 0.323 15 0 "[ . 1 . ]"
1 70 SER 4.793 0.954 1 2 "[+ .- 1 . ]"
1 71 ALA 5.260 0.624 7 3 "[- .*+ 1 . ]"
1 72 PHE 3.345 0.826 7 2 "[ -. + 1 . ]"
1 73 LEU 5.918 0.943 18 2 "[ . - 1 . + ]"
1 74 CYS 1.173 0.100 7 0 "[ . 1 . ]"
1 75 GLY 0.817 0.102 16 0 "[ . 1 . ]"
1 76 VAL 1.514 0.098 7 0 "[ . 1 . ]"
1 77 MET 9.606 0.943 18 2 "[ . - 1 . + ]"
1 78 LYS 8.252 1.479 7 7 "[ *- .*+ 1 ** *]"
1 79 THR 1.908 0.105 9 0 "[ . 1 . ]"
1 80 TYR 2.861 0.149 13 0 "[ . 1 . ]"
1 81 ARG 11.307 1.479 7 7 "[ ** .*+ 1 ** *]"
1 82 GLN 1.758 0.960 3 1 "[ + . 1 . ]"
1 83 ARG 2.106 0.960 3 1 "[ + . 1 . ]"
1 84 GLU 0.326 0.079 9 0 "[ . 1 . ]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 86 GLN 0.922 0.081 12 0 "[ . 1 . ]"
1 87 GLY 0.999 0.084 4 0 "[ . 1 . ]"
1 88 THR 3.204 0.090 4 0 "[ . 1 . ]"
1 89 LYS 3.705 0.963 6 2 "[ .+ 1 - ]"
1 90 VAL 2.162 0.291 19 0 "[ . 1 . ]"
1 91 ALA 3.236 0.963 6 2 "[ .+ 1 - ]"
1 92 ASP 1.517 0.458 7 0 "[ . 1 . ]"
1 93 SER 1.590 0.458 7 0 "[ . 1 . ]"
1 94 SER 1.118 0.094 15 0 "[ . 1 . ]"
1 95 LYS 2.696 0.739 12 1 "[ . 1 + . ]"
1 97 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 98 ASP 10.169 1.284 13 8 "[ . *** +*.* *-]"
1 99 GLU 11.344 1.284 13 8 "[ . *** +*.* *-]"
1 100 ALA 0.458 0.082 9 0 "[ . 1 . ]"
1 101 LYS 3.463 0.548 16 1 "[ . 1 .+ ]"
1 102 ILE 13.991 1.645 14 12 "[** *.* * 1- *+* ***]"
1 103 LYS 2.958 0.283 13 0 "[ . 1 . ]"
1 104 ALA 0.575 0.100 15 0 "[ . 1 . ]"
1 105 LEU 15.873 1.645 14 12 "[** *.* * 1- *+* ***]"
1 106 LEU 0.175 0.091 16 0 "[ . 1 . ]"
1 107 GLU 0.091 0.091 16 0 "[ . 1 . ]"
1 108 ARG 0.310 0.073 11 0 "[ . 1 . ]"
1 109 THR 2.080 0.091 9 0 "[ . 1 . ]"
1 110 GLY 3.491 0.736 19 1 "[ . 1 . +]"
1 111 TYR 2.085 0.736 19 1 "[ . 1 . +]"
1 112 THR 1.261 0.105 4 0 "[ . 1 . ]"
1 113 LEU 0.153 0.059 1 0 "[ . 1 . ]"
1 114 ASP 1.210 0.099 12 0 "[ . 1 . ]"
1 115 VAL 3.167 0.902 19 2 "[ . 1 -. +]"
1 116 THR 2.981 0.902 19 2 "[ . 1 -. +]"
1 117 THR 0.980 0.091 18 0 "[ . 1 . ]"
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 GLY HA3 1 2 SER HA . . 5.320 4.531 4.314 4.870 . 0 0 "[ . 1 . ]" 1
2 1 1 GLY HA3 1 26 VAL QG . . 5.140 4.621 3.550 5.864 0.724 13 1 "[ . 1 + . ]" 1
3 1 2 SER H 1 3 GLU H . . 5.500 4.393 4.181 4.644 . 0 0 "[ . 1 . ]" 1
4 1 2 SER H 1 26 VAL QG . . 5.500 4.117 2.775 5.034 . 0 0 "[ . 1 . ]" 1
5 1 2 SER HA 1 3 GLU H . . 3.130 2.450 2.284 2.638 . 0 0 "[ . 1 . ]" 1
6 1 2 SER HB3 1 3 GLU H . . 3.860 3.182 2.225 3.839 . 0 0 "[ . 1 . ]" 1
7 1 2 SER HB3 1 4 ASN H . . 4.400 3.667 2.722 5.253 0.853 7 1 "[ . + 1 . ]" 1
8 1 2 SER HB3 1 26 VAL QG . . 4.240 3.325 2.468 4.126 . 0 0 "[ . 1 . ]" 1
9 1 3 GLU H 1 4 ASN H . . 3.660 2.503 1.949 2.909 . 0 0 "[ . 1 . ]" 1
10 1 3 GLU H 1 5 PHE H . . 5.380 4.034 2.514 5.096 . 0 0 "[ . 1 . ]" 1
11 1 3 GLU H 1 26 VAL QG . . 5.500 5.214 4.536 5.454 . 0 0 "[ . 1 . ]" 1
12 1 3 GLU HA 1 5 PHE H . . 4.570 3.818 2.968 4.203 . 0 0 "[ . 1 . ]" 1
13 1 3 GLU HA 1 6 GLN H . . 4.660 4.155 3.384 4.728 0.068 13 0 "[ . 1 . ]" 1
14 1 3 GLU HA 1 6 GLN HB3 . . 5.030 4.577 3.535 5.116 0.086 17 0 "[ . 1 . ]" 1
15 1 4 ASN H 1 4 ASN HD21 . . 5.160 3.886 2.223 5.233 0.073 9 0 "[ . 1 . ]" 1
16 1 4 ASN H 1 5 PHE H . . 3.370 2.824 2.312 3.449 0.079 9 0 "[ . 1 . ]" 1
17 1 4 ASN HA 1 7 THR H . . 4.100 3.275 2.805 3.580 . 0 0 "[ . 1 . ]" 1
18 1 4 ASN HA 1 7 THR HB . . 4.180 3.142 2.139 4.097 . 0 0 "[ . 1 . ]" 1
19 1 4 ASN HA 1 7 THR MG . . 4.940 2.360 2.015 3.376 . 0 0 "[ . 1 . ]" 1
20 1 4 ASN HD21 1 5 PHE H . . 5.230 3.610 2.438 4.938 . 0 0 "[ . 1 . ]" 1
21 1 4 ASN HD21 1 8 LEU HG . . 5.500 4.787 2.948 5.728 0.228 18 0 "[ . 1 . ]" 1
22 1 4 ASN HD21 1 18 ALA MB . . 5.500 5.564 4.606 6.493 0.993 18 5 "[- . 1 * ** + ]" 1
23 1 4 ASN HD21 1 25 TYR QD . . 5.500 3.268 2.627 3.617 . 0 0 "[ . 1 . ]" 1
24 1 4 ASN HD22 1 5 PHE H . . 4.710 4.256 3.131 4.782 0.072 14 0 "[ . 1 . ]" 1
25 1 4 ASN HD22 1 25 TYR H . . 5.460 4.339 3.446 5.267 . 0 0 "[ . 1 . ]" 1
26 1 4 ASN HD22 1 25 TYR QD . . 5.320 2.782 2.198 3.931 . 0 0 "[ . 1 . ]" 1
27 1 5 PHE H 1 5 PHE HB3 . . 3.340 2.486 2.181 2.775 . 0 0 "[ . 1 . ]" 1
28 1 5 PHE H 1 5 PHE QD . . 4.990 4.204 4.107 4.263 . 0 0 "[ . 1 . ]" 1
29 1 5 PHE H 1 6 GLN H . . 3.700 2.746 2.204 3.003 . 0 0 "[ . 1 . ]" 1
30 1 5 PHE H 1 6 GLN HB3 . . 5.040 4.938 4.352 5.106 0.066 8 0 "[ . 1 . ]" 1
31 1 5 PHE H 1 7 THR H . . 4.100 4.065 3.825 4.174 0.074 1 0 "[ . 1 . ]" 1
32 1 5 PHE H 1 8 LEU H . . 5.500 5.232 4.694 5.552 0.052 10 0 "[ . 1 . ]" 1
33 1 5 PHE H 1 8 LEU QD . . 5.500 4.430 3.862 4.854 . 0 0 "[ . 1 . ]" 1
34 1 5 PHE HA 1 5 PHE QD . . 3.860 2.404 2.094 2.981 . 0 0 "[ . 1 . ]" 1
35 1 5 PHE HA 1 8 LEU H . . 4.770 4.186 3.509 4.557 . 0 0 "[ . 1 . ]" 1
36 1 5 PHE HA 1 8 LEU HG . . 4.320 4.178 3.688 4.391 0.071 4 0 "[ . 1 . ]" 1
37 1 5 PHE HA 1 9 LEU QD . . 5.310 4.146 3.886 4.418 . 0 0 "[ . 1 . ]" 1
38 1 5 PHE HA 1 18 ALA MB . . 3.860 2.917 2.544 3.177 . 0 0 "[ . 1 . ]" 1
39 1 5 PHE HB3 1 6 GLN H . . 4.040 2.497 2.191 3.079 . 0 0 "[ . 1 . ]" 1
40 1 5 PHE QD 1 6 GLN H . . 4.760 3.850 2.789 4.501 . 0 0 "[ . 1 . ]" 1
41 1 5 PHE QD 1 6 GLN HA . . 5.350 4.246 2.833 4.807 . 0 0 "[ . 1 . ]" 1
42 1 5 PHE QD 1 8 LEU QD . . 4.510 3.586 3.164 4.328 . 0 0 "[ . 1 . ]" 1
43 1 5 PHE QD 1 9 LEU QD . . 3.630 3.450 2.419 3.714 0.084 5 0 "[ . 1 . ]" 1
44 1 5 PHE QD 1 18 ALA HA . . 4.910 4.020 3.750 4.748 . 0 0 "[ . 1 . ]" 1
45 1 5 PHE QD 1 18 ALA MB . . 3.770 2.340 2.091 2.834 . 0 0 "[ . 1 . ]" 1
46 1 5 PHE QD 1 19 GLU H . . 4.630 4.405 3.910 4.714 0.084 1 0 "[ . 1 . ]" 1
47 1 5 PHE QD 1 19 GLU HA . . 4.540 3.743 2.989 4.393 . 0 0 "[ . 1 . ]" 1
48 1 5 PHE QD 1 22 ASP H . . 5.000 3.839 3.374 5.010 0.010 16 0 "[ . 1 . ]" 1
49 1 5 PHE QD 1 22 ASP HB3 . . 3.940 3.081 2.232 4.024 0.084 13 0 "[ . 1 . ]" 1
50 1 5 PHE QE 1 9 LEU QD . . 3.930 3.318 2.736 3.839 . 0 0 "[ . 1 . ]" 1
51 1 5 PHE QE 1 15 GLN HA . . 4.570 4.431 4.021 4.640 0.070 5 0 "[ . 1 . ]" 1
52 1 5 PHE QE 1 15 GLN HE21 . . 4.090 3.240 2.677 3.906 . 0 0 "[ . 1 . ]" 1
53 1 5 PHE QE 1 15 GLN HE22 . . 4.770 3.781 2.637 4.847 0.077 6 0 "[ . 1 . ]" 1
54 1 5 PHE QE 1 18 ALA MB . . 3.740 2.636 2.369 2.917 . 0 0 "[ . 1 . ]" 1
55 1 5 PHE QE 1 19 GLU H . . 4.140 3.015 2.759 3.641 . 0 0 "[ . 1 . ]" 1
56 1 5 PHE QE 1 19 GLU HA . . 3.620 2.508 2.117 3.309 . 0 0 "[ . 1 . ]" 1
57 1 5 PHE QE 1 19 GLU HG3 . . 4.220 3.303 2.214 4.113 . 0 0 "[ . 1 . ]" 1
58 1 6 GLN H 1 6 GLN HB3 . . 3.240 2.462 2.260 2.707 . 0 0 "[ . 1 . ]" 1
59 1 6 GLN H 1 7 THR H . . 3.570 2.609 2.191 2.889 . 0 0 "[ . 1 . ]" 1
60 1 6 GLN H 1 8 LEU H . . 5.500 4.347 3.955 4.624 . 0 0 "[ . 1 . ]" 1
61 1 6 GLN H 1 9 LEU QD . . 5.500 4.378 3.877 4.680 . 0 0 "[ . 1 . ]" 1
62 1 6 GLN HA 1 6 GLN HE21 . . 4.780 3.092 2.388 4.243 . 0 0 "[ . 1 . ]" 1
63 1 6 GLN HA 1 6 GLN HE22 . . 5.210 3.623 3.077 4.204 . 0 0 "[ . 1 . ]" 1
64 1 6 GLN HA 1 7 THR HA . . 5.170 4.760 4.629 4.905 . 0 0 "[ . 1 . ]" 1
65 1 6 GLN HA 1 8 LEU H . . 5.430 4.205 3.759 4.550 . 0 0 "[ . 1 . ]" 1
66 1 6 GLN HA 1 9 LEU H . . 3.880 3.291 2.981 3.528 . 0 0 "[ . 1 . ]" 1
67 1 6 GLN HA 1 9 LEU HB3 . . 4.260 4.067 3.545 4.336 0.076 7 0 "[ . 1 . ]" 1
68 1 6 GLN HA 1 9 LEU QD . . 3.700 2.581 2.134 2.907 . 0 0 "[ . 1 . ]" 1
69 1 6 GLN HA 1 9 LEU HG . . 4.480 3.997 3.412 4.547 0.067 18 0 "[ . 1 . ]" 1
70 1 6 GLN HA 1 10 ASP H . . 4.760 4.527 3.949 4.840 0.080 12 0 "[ . 1 . ]" 1
71 1 6 GLN HB3 1 7 THR H . . 3.660 3.039 2.759 3.371 . 0 0 "[ . 1 . ]" 1
72 1 6 GLN HE21 1 9 LEU H . . 5.500 4.367 3.725 5.391 . 0 0 "[ . 1 . ]" 1
73 1 6 GLN HE21 1 9 LEU HB3 . . 5.250 3.063 2.438 3.829 . 0 0 "[ . 1 . ]" 1
74 1 6 GLN HE21 1 9 LEU QD . . 5.220 3.785 2.885 4.453 . 0 0 "[ . 1 . ]" 1
75 1 6 GLN HE21 1 10 ASP H . . 5.170 3.782 3.099 4.748 . 0 0 "[ . 1 . ]" 1
76 1 6 GLN HE22 1 9 LEU HB3 . . 4.900 2.901 2.552 3.681 . 0 0 "[ . 1 . ]" 1
77 1 6 GLN HE22 1 9 LEU QD . . 4.520 3.368 2.329 4.063 . 0 0 "[ . 1 . ]" 1
78 1 6 GLN HE22 1 9 LEU HG . . 5.500 4.093 2.225 5.587 0.087 17 0 "[ . 1 . ]" 1
79 1 6 GLN HE22 1 10 ASP H . . 5.470 5.004 4.256 5.545 0.075 7 0 "[ . 1 . ]" 1
80 1 7 THR H 1 7 THR HB . . 3.240 2.405 2.174 2.916 . 0 0 "[ . 1 . ]" 1
81 1 7 THR H 1 7 THR MG . . 3.910 2.654 1.954 3.705 . 0 0 "[ . 1 . ]" 1
82 1 7 THR H 1 9 LEU QD . . 5.500 4.901 4.630 5.312 . 0 0 "[ . 1 . ]" 1
83 1 7 THR HA 1 7 THR MG . . 3.210 3.154 2.477 3.292 0.082 18 0 "[ . 1 . ]" 1
84 1 7 THR HA 1 10 ASP H . . 3.890 3.423 3.176 3.697 . 0 0 "[ . 1 . ]" 1
85 1 7 THR HA 1 10 ASP HB3 . . 3.720 3.190 2.581 3.630 . 0 0 "[ . 1 . ]" 1
86 1 7 THR HB 1 8 LEU QD . . 5.500 4.911 3.825 5.301 . 0 0 "[ . 1 . ]" 1
87 1 7 THR MG 1 8 LEU QD . . 4.600 2.947 1.819 3.870 . 0 0 "[ . 1 . ]" 1
88 1 7 THR MG 1 8 LEU HG . . 3.770 2.728 2.206 3.893 0.123 10 0 "[ . 1 . ]" 1
89 1 7 THR MG 1 10 ASP H . . 5.500 4.960 4.581 5.263 . 0 0 "[ . 1 . ]" 1
90 1 8 LEU H 1 8 LEU HB3 . . 3.610 3.571 3.437 3.619 0.009 3 0 "[ . 1 . ]" 1
91 1 8 LEU H 1 8 LEU QD . . 3.930 2.923 1.661 3.158 . 0 0 "[ . 1 . ]" 1
92 1 8 LEU H 1 8 LEU HG . . 3.370 2.248 1.903 3.473 0.103 10 0 "[ . 1 . ]" 1
93 1 8 LEU H 1 10 ASP H . . 5.010 4.038 3.815 4.266 . 0 0 "[ . 1 . ]" 1
94 1 8 LEU HA 1 8 LEU QD . . 3.080 2.191 2.122 2.321 . 0 0 "[ . 1 . ]" 1
95 1 8 LEU HA 1 8 LEU HG . . 3.700 2.971 2.545 3.617 . 0 0 "[ . 1 . ]" 1
96 1 8 LEU HA 1 11 ALA H . . 4.000 3.356 3.020 3.757 . 0 0 "[ . 1 . ]" 1
97 1 8 LEU HA 1 11 ALA MB . . 3.440 2.392 1.970 2.831 . 0 0 "[ . 1 . ]" 1
98 1 8 LEU HB3 1 9 LEU H . . 4.040 3.562 3.427 3.759 . 0 0 "[ . 1 . ]" 1
99 1 8 LEU HB3 1 9 LEU QD . . 5.500 4.089 3.241 5.093 . 0 0 "[ . 1 . ]" 1
100 1 8 LEU HB3 1 10 ASP H . . 5.500 5.388 5.049 5.580 0.080 6 0 "[ . 1 . ]" 1
101 1 8 LEU HB3 1 17 VAL MG1 . . 3.850 3.928 3.664 3.974 0.124 17 0 "[ . 1 . ]" 1
102 1 8 LEU HB3 1 18 ALA HA . . 4.310 3.709 3.285 4.077 . 0 0 "[ . 1 . ]" 1
103 1 8 LEU HB3 1 18 ALA MB . . 3.710 2.811 2.433 3.200 . 0 0 "[ . 1 . ]" 1
104 1 8 LEU QD 1 18 ALA HA . . 3.670 2.150 1.875 2.882 . 0 0 "[ . 1 . ]" 1
105 1 8 LEU QD 1 21 LEU H . . 5.040 4.218 3.908 4.779 . 0 0 "[ . 1 . ]" 1
106 1 8 LEU QD 1 21 LEU HB3 . . 4.250 2.441 2.205 3.016 . 0 0 "[ . 1 . ]" 1
107 1 8 LEU QD 1 21 LEU QD . . 3.180 1.820 1.755 1.973 . 0 0 "[ . 1 . ]" 1
108 1 8 LEU QD 1 22 ASP H . . 4.140 3.851 3.564 4.149 0.009 10 0 "[ . 1 . ]" 1
109 1 8 LEU QD 1 22 ASP HA . . 4.530 4.053 3.503 4.399 . 0 0 "[ . 1 . ]" 1
110 1 8 LEU QD 1 25 TYR QE . . 4.230 3.533 2.580 3.910 . 0 0 "[ . 1 . ]" 1
111 1 9 LEU H 1 9 LEU HB3 . . 3.830 3.454 3.374 3.553 . 0 0 "[ . 1 . ]" 1
112 1 9 LEU H 1 9 LEU QD . . 3.980 2.511 2.001 3.329 . 0 0 "[ . 1 . ]" 1
113 1 9 LEU H 1 9 LEU HG . . 3.710 3.454 2.799 3.800 0.090 2 0 "[ . 1 . ]" 1
114 1 9 LEU H 1 10 ASP H . . 3.720 2.724 2.553 2.853 . 0 0 "[ . 1 . ]" 1
115 1 9 LEU HA 1 9 LEU QD . . 3.070 2.263 1.969 2.924 . 0 0 "[ . 1 . ]" 1
116 1 9 LEU HA 1 9 LEU HG . . 3.820 3.056 2.203 3.827 0.007 8 0 "[ . 1 . ]" 1
117 1 9 LEU HB3 1 9 LEU QD . . 3.060 2.186 2.068 2.327 . 0 0 "[ . 1 . ]" 1
118 1 9 LEU HB3 1 10 ASP H . . 3.860 3.549 3.258 3.921 0.061 16 0 "[ . 1 . ]" 1
119 1 9 LEU QD 1 10 ASP H . . 4.880 4.109 3.760 4.451 . 0 0 "[ . 1 . ]" 1
120 1 9 LEU QD 1 14 PRO HA . . 5.380 3.359 3.071 4.241 . 0 0 "[ . 1 . ]" 1
121 1 9 LEU QD 1 15 GLN H . . 4.510 2.825 2.517 3.359 . 0 0 "[ . 1 . ]" 1
122 1 9 LEU QD 1 15 GLN HA . . 3.160 2.127 2.022 2.440 . 0 0 "[ . 1 . ]" 1
123 1 9 LEU QD 1 15 GLN HB3 . . 5.000 3.592 3.398 3.923 . 0 0 "[ . 1 . ]" 1
124 1 9 LEU QD 1 15 GLN HE21 . . 5.500 2.951 1.910 4.594 . 0 0 "[ . 1 . ]" 1
125 1 9 LEU QD 1 15 GLN HE22 . . 5.460 3.387 2.256 5.268 . 0 0 "[ . 1 . ]" 1
126 1 9 LEU QD 1 15 GLN HG3 . . 4.690 3.093 2.480 3.647 . 0 0 "[ . 1 . ]" 1
127 1 9 LEU QD 1 18 ALA H . . 4.760 3.921 3.449 4.449 . 0 0 "[ . 1 . ]" 1
128 1 9 LEU QD 1 18 ALA MB . . 3.560 2.235 1.909 2.744 . 0 0 "[ . 1 . ]" 1
129 1 9 LEU QD 1 19 GLU H . . 5.500 4.427 4.177 4.912 . 0 0 "[ . 1 . ]" 1
130 1 9 LEU QD 1 19 GLU HG3 . . 5.500 4.739 4.245 5.240 . 0 0 "[ . 1 . ]" 1
131 1 10 ASP H 1 10 ASP HB3 . . 3.500 2.810 2.430 3.294 . 0 0 "[ . 1 . ]" 1
132 1 10 ASP H 1 11 ALA H . . 3.120 2.381 2.063 2.831 . 0 0 "[ . 1 . ]" 1
133 1 10 ASP H 1 11 ALA MB . . 5.000 3.883 3.520 4.278 . 0 0 "[ . 1 . ]" 1
134 1 10 ASP HA 1 10 ASP HB3 . . 3.020 2.995 2.868 3.042 0.022 19 0 "[ . 1 . ]" 1
135 1 10 ASP HA 1 11 ALA MB . . 4.760 4.852 4.742 4.879 0.119 8 0 "[ . 1 . ]" 1
136 1 10 ASP HA 1 12 GLY H . . 4.190 3.591 3.220 4.239 0.049 19 0 "[ . 1 . ]" 1
137 1 10 ASP HB3 1 11 ALA H . . 4.450 3.389 2.930 3.841 . 0 0 "[ . 1 . ]" 1
138 1 10 ASP HB3 1 11 ALA MB . . 5.500 4.141 3.543 4.595 . 0 0 "[ . 1 . ]" 1
139 1 11 ALA H 1 11 ALA MB . . 2.990 2.209 2.104 2.527 . 0 0 "[ . 1 . ]" 1
140 1 11 ALA H 1 12 GLY H . . 3.400 2.585 2.325 2.813 . 0 0 "[ . 1 . ]" 1
141 1 11 ALA H 1 12 GLY HA2 . . 5.460 4.973 4.474 5.048 . 0 0 "[ . 1 . ]" 1
142 1 11 ALA H 1 12 GLY HA3 . . 4.970 5.154 4.721 5.317 0.347 18 0 "[ . 1 . ]" 1
143 1 11 ALA H 1 13 LEU H . . 4.380 3.427 2.790 3.797 . 0 0 "[ . 1 . ]" 1
144 1 11 ALA H 1 13 LEU QD . . 4.920 3.967 3.304 4.623 . 0 0 "[ . 1 . ]" 1
145 1 11 ALA MB 1 12 GLY H . . 4.220 3.278 2.859 3.668 . 0 0 "[ . 1 . ]" 1
146 1 11 ALA MB 1 12 GLY HA2 . . 5.370 4.841 4.664 5.098 . 0 0 "[ . 1 . ]" 1
147 1 11 ALA MB 1 12 GLY HA3 . . 5.500 4.248 4.035 4.506 . 0 0 "[ . 1 . ]" 1
148 1 11 ALA MB 1 13 LEU H . . 3.420 3.359 3.186 3.507 0.087 5 0 "[ . 1 . ]" 1
149 1 11 ALA MB 1 13 LEU QD . . 3.380 2.467 2.010 3.045 . 0 0 "[ . 1 . ]" 1
150 1 12 GLY H 1 13 LEU H . . 3.380 2.278 1.960 2.784 . 0 0 "[ . 1 . ]" 1
151 1 12 GLY H 1 13 LEU QD . . 5.500 3.748 2.941 4.440 . 0 0 "[ . 1 . ]" 1
152 1 13 LEU H 1 13 LEU HB3 . . 3.800 3.662 3.571 3.790 . 0 0 "[ . 1 . ]" 1
153 1 13 LEU H 1 13 LEU QD . . 4.110 2.624 2.012 3.282 . 0 0 "[ . 1 . ]" 1
154 1 13 LEU H 1 13 LEU HG . . 5.010 3.191 2.092 4.360 . 0 0 "[ . 1 . ]" 1
155 1 13 LEU HA 1 13 LEU QD . . 3.180 2.196 2.063 2.383 . 0 0 "[ . 1 . ]" 1
156 1 13 LEU HA 1 13 LEU HG . . 4.100 3.502 3.300 3.702 . 0 0 "[ . 1 . ]" 1
157 1 13 LEU HA 1 14 PRO HD3 . . 3.070 2.327 2.168 2.435 . 0 0 "[ . 1 . ]" 1
158 1 13 LEU HA 1 14 PRO HG3 . . 4.450 4.541 4.355 4.623 0.173 19 0 "[ . 1 . ]" 1
159 1 13 LEU HA 1 17 VAL HB . . 5.000 4.720 4.129 5.069 0.069 6 0 "[ . 1 . ]" 1
160 1 13 LEU HA 1 17 VAL MG1 . . 5.010 4.652 3.832 5.090 0.080 5 0 "[ . 1 . ]" 1
161 1 13 LEU HA 1 17 VAL MG2 . . 4.980 4.644 4.213 5.030 0.050 13 0 "[ . 1 . ]" 1
162 1 13 LEU HA 1 46 PHE QE . . 5.220 3.679 3.153 4.240 . 0 0 "[ . 1 . ]" 1
163 1 13 LEU HB3 1 14 PRO HD3 . . 4.360 3.600 3.440 3.757 . 0 0 "[ . 1 . ]" 1
164 1 13 LEU HB3 1 18 ALA H . . 4.620 4.579 4.307 4.703 0.083 17 0 "[ . 1 . ]" 1
165 1 13 LEU QD 1 14 PRO HD3 . . 4.350 3.610 3.219 3.944 . 0 0 "[ . 1 . ]" 1
166 1 13 LEU QD 1 44 LYS H . . 4.160 4.062 3.780 4.177 0.017 9 0 "[ . 1 . ]" 1
167 1 13 LEU QD 1 44 LYS HA . . 3.320 2.010 1.917 2.262 . 0 0 "[ . 1 . ]" 1
168 1 13 LEU QD 1 45 GLU H . . 5.500 4.422 3.790 4.772 . 0 0 "[ . 1 . ]" 1
169 1 13 LEU QD 1 46 PHE HZ . . 4.530 2.206 1.956 2.504 . 0 0 "[ . 1 . ]" 1
170 1 14 PRO HA 1 15 GLN H . . 2.840 2.286 2.168 2.368 . 0 0 "[ . 1 . ]" 1
171 1 14 PRO HA 1 15 GLN HA . . 4.340 4.369 4.309 4.413 0.073 12 0 "[ . 1 . ]" 1
172 1 14 PRO HA 1 16 LYS H . . 5.210 4.530 4.177 4.730 . 0 0 "[ . 1 . ]" 1
173 1 14 PRO HB3 1 15 GLN H . . 3.940 3.629 3.368 3.854 . 0 0 "[ . 1 . ]" 1
174 1 14 PRO HB3 1 17 VAL H . . 3.540 4.801 4.619 4.835 1.295 1 19 [+**********-*******] 1
175 1 14 PRO HB3 1 17 VAL MG2 . . 4.590 4.442 4.415 4.460 . 0 0 "[ . 1 . ]" 1
176 1 14 PRO HD3 1 17 VAL HB . . 4.480 4.329 3.814 4.541 0.061 10 0 "[ . 1 . ]" 1
177 1 14 PRO HD3 1 17 VAL MG2 . . 4.520 3.713 3.366 4.155 . 0 0 "[ . 1 . ]" 1
178 1 14 PRO HD3 1 46 PHE HZ . . 5.500 4.814 3.424 5.576 0.076 16 0 "[ . 1 . ]" 1
179 1 14 PRO HG3 1 17 VAL H . . 4.900 4.181 3.731 4.770 . 0 0 "[ . 1 . ]" 1
180 1 14 PRO HG3 1 17 VAL MG2 . . 4.100 2.799 2.607 3.270 . 0 0 "[ . 1 . ]" 1
181 1 15 GLN H 1 15 GLN HB3 . . 3.290 2.619 2.390 2.799 . 0 0 "[ . 1 . ]" 1
182 1 15 GLN H 1 16 LYS H . . 3.900 2.966 2.768 3.177 . 0 0 "[ . 1 . ]" 1
183 1 15 GLN H 1 17 VAL H . . 5.130 4.396 4.215 4.669 . 0 0 "[ . 1 . ]" 1
184 1 15 GLN H 1 18 ALA H . . 5.500 5.023 4.852 5.340 . 0 0 "[ . 1 . ]" 1
185 1 15 GLN HA 1 15 GLN HE22 . . 5.500 4.809 3.561 5.405 . 0 0 "[ . 1 . ]" 1
186 1 15 GLN HA 1 15 GLN HG3 . . 3.610 2.602 2.316 3.648 0.038 9 0 "[ . 1 . ]" 1
187 1 15 GLN HA 1 17 VAL H . . 4.550 4.229 3.953 4.594 0.044 12 0 "[ . 1 . ]" 1
188 1 15 GLN HA 1 18 ALA H . . 4.460 3.497 3.291 4.081 . 0 0 "[ . 1 . ]" 1
189 1 15 GLN HA 1 18 ALA MB . . 3.820 2.720 2.412 3.127 . 0 0 "[ . 1 . ]" 1
190 1 15 GLN HB3 1 15 GLN HE22 . . 5.500 5.115 4.683 5.434 . 0 0 "[ . 1 . ]" 1
191 1 15 GLN HB3 1 16 LYS H . . 3.450 2.466 2.069 2.759 . 0 0 "[ . 1 . ]" 1
192 1 15 GLN HE21 1 19 GLU HG3 . . 4.950 4.062 2.713 4.936 . 0 0 "[ . 1 . ]" 1
193 1 15 GLN HE22 1 18 ALA MB . . 5.500 5.258 4.295 5.600 0.100 4 0 "[ . 1 . ]" 1
194 1 15 GLN HG3 1 16 LYS H . . 4.350 4.204 3.413 4.459 0.109 6 0 "[ . 1 . ]" 1
195 1 16 LYS H 1 16 LYS HG3 . . 3.850 3.081 2.606 3.828 . 0 0 "[ . 1 . ]" 1
196 1 16 LYS H 1 17 VAL H . . 3.550 2.958 2.797 3.058 . 0 0 "[ . 1 . ]" 1
197 1 16 LYS H 1 17 VAL HB . . 5.210 5.057 4.753 5.260 0.050 10 0 "[ . 1 . ]" 1
198 1 16 LYS H 1 17 VAL MG2 . . 4.850 4.550 4.233 4.680 . 0 0 "[ . 1 . ]" 1
199 1 16 LYS H 1 18 ALA H . . 4.790 4.508 4.149 4.834 0.044 17 0 "[ . 1 . ]" 1
200 1 16 LYS H 1 18 ALA MB . . 5.500 5.044 4.801 5.258 . 0 0 "[ . 1 . ]" 1
201 1 16 LYS H 1 19 GLU H . . 5.200 4.795 4.705 4.977 . 0 0 "[ . 1 . ]" 1
202 1 16 LYS H 1 52 LEU QD . . 5.390 4.956 4.537 5.182 . 0 0 "[ . 1 . ]" 1
203 1 16 LYS HA 1 16 LYS HG3 . . 3.680 3.769 3.703 3.800 0.120 19 0 "[ . 1 . ]" 1
204 1 16 LYS HA 1 18 ALA H . . 5.370 4.654 4.305 4.963 . 0 0 "[ . 1 . ]" 1
205 1 16 LYS HA 1 19 GLU H . . 3.880 3.523 3.345 3.820 . 0 0 "[ . 1 . ]" 1
206 1 16 LYS HA 1 19 GLU HB3 . . 3.290 4.172 3.664 4.852 1.562 9 16 "[******- +* ***** **]" 1
207 1 16 LYS HA 1 20 LYS H . . 4.900 4.663 4.101 4.982 0.082 3 0 "[ . 1 . ]" 1
208 1 16 LYS HG3 1 17 VAL H . . 5.170 2.603 1.977 4.584 . 0 0 "[ . 1 . ]" 1
209 1 16 LYS HG3 1 17 VAL MG2 . . 3.810 2.529 2.229 4.383 0.573 19 1 "[ . 1 . +]" 1
210 1 17 VAL H 1 17 VAL HB . . 3.220 2.290 2.178 2.359 . 0 0 "[ . 1 . ]" 1
211 1 17 VAL H 1 17 VAL MG1 . . 4.210 3.701 3.601 3.754 . 0 0 "[ . 1 . ]" 1
212 1 17 VAL H 1 17 VAL MG2 . . 3.310 2.469 2.219 2.607 . 0 0 "[ . 1 . ]" 1
213 1 17 VAL H 1 18 ALA H . . 3.150 2.546 2.444 2.690 . 0 0 "[ . 1 . ]" 1
214 1 17 VAL H 1 19 GLU H . . 4.650 3.988 3.799 4.201 . 0 0 "[ . 1 . ]" 1
215 1 17 VAL H 1 20 LYS H . . 5.500 5.039 4.580 5.263 . 0 0 "[ . 1 . ]" 1
216 1 17 VAL H 1 52 LEU QD . . 4.910 3.753 3.353 4.135 . 0 0 "[ . 1 . ]" 1
217 1 17 VAL HA 1 17 VAL MG1 . . 3.330 2.558 2.448 2.662 . 0 0 "[ . 1 . ]" 1
218 1 17 VAL HA 1 17 VAL MG2 . . 3.270 2.352 2.262 2.474 . 0 0 "[ . 1 . ]" 1
219 1 17 VAL HA 1 19 GLU H . . 5.180 4.444 4.305 4.712 . 0 0 "[ . 1 . ]" 1
220 1 17 VAL HA 1 20 LYS H . . 4.050 3.628 3.141 3.979 . 0 0 "[ . 1 . ]" 1
221 1 17 VAL HA 1 21 LEU QD . . 5.500 5.328 4.850 5.613 0.113 16 0 "[ . 1 . ]" 1
222 1 17 VAL HA 1 52 LEU QD . . 3.240 2.277 2.084 2.571 . 0 0 "[ . 1 . ]" 1
223 1 17 VAL HA 1 52 LEU HG . . 4.710 3.864 2.695 4.792 0.082 16 0 "[ . 1 . ]" 1
224 1 17 VAL HB 1 18 ALA H . . 3.360 2.713 2.486 3.099 . 0 0 "[ . 1 . ]" 1
225 1 17 VAL HB 1 51 ALA MB . . 3.970 4.041 3.905 4.087 0.117 12 0 "[ . 1 . ]" 1
226 1 17 VAL MG1 1 18 ALA H . . 4.080 3.210 2.955 3.541 . 0 0 "[ . 1 . ]" 1
227 1 17 VAL MG1 1 18 ALA HA . . 3.520 3.431 3.299 3.603 0.083 12 0 "[ . 1 . ]" 1
228 1 17 VAL MG1 1 18 ALA MB . . 3.940 3.898 3.709 4.041 0.101 11 0 "[ . 1 . ]" 1
229 1 17 VAL MG1 1 19 GLU H . . 5.080 5.033 4.912 5.168 0.088 16 0 "[ . 1 . ]" 1
230 1 17 VAL MG1 1 20 LYS H . . 5.120 4.680 4.400 5.086 . 0 0 "[ . 1 . ]" 1
231 1 17 VAL MG1 1 51 ALA MB . . 3.400 2.114 1.974 2.341 . 0 0 "[ . 1 . ]" 1
232 1 17 VAL MG2 1 18 ALA H . . 4.350 4.051 3.927 4.216 . 0 0 "[ . 1 . ]" 1
233 1 17 VAL MG2 1 46 PHE QD . . 5.500 3.554 3.114 3.870 . 0 0 "[ . 1 . ]" 1
234 1 17 VAL MG2 1 48 GLU H . . 5.500 5.594 5.488 5.622 0.122 6 0 "[ . 1 . ]" 1
235 1 17 VAL MG2 1 48 GLU HA . . 3.540 3.575 3.449 3.646 0.106 17 0 "[ . 1 . ]" 1
236 1 17 VAL MG2 1 51 ALA MB . . 3.420 2.097 1.903 2.356 . 0 0 "[ . 1 . ]" 1
237 1 17 VAL MG2 1 52 LEU H . . 4.410 3.277 2.849 3.625 . 0 0 "[ . 1 . ]" 1
238 1 18 ALA H 1 18 ALA MB . . 3.030 2.216 2.165 2.272 . 0 0 "[ . 1 . ]" 1
239 1 18 ALA H 1 19 GLU H . . 3.510 2.794 2.520 2.996 . 0 0 "[ . 1 . ]" 1
240 1 18 ALA H 1 19 GLU HB3 . . 5.500 6.283 6.000 6.654 1.154 6 19 [*****+*********-***] 1
241 1 18 ALA H 1 20 LYS H . . 5.160 4.328 3.954 4.824 . 0 0 "[ . 1 . ]" 1
242 1 18 ALA HA 1 20 LYS H . . 5.330 4.096 3.629 4.609 . 0 0 "[ . 1 . ]" 1
243 1 18 ALA HA 1 21 LEU HB3 . . 3.780 2.492 2.182 2.871 . 0 0 "[ . 1 . ]" 1
244 1 18 ALA HA 1 21 LEU QD . . 4.130 3.349 2.995 3.832 . 0 0 "[ . 1 . ]" 1
245 1 18 ALA MB 1 19 GLU H . . 3.530 2.608 2.424 2.794 . 0 0 "[ . 1 . ]" 1
246 1 18 ALA MB 1 20 LYS H . . 5.090 4.523 4.269 4.815 . 0 0 "[ . 1 . ]" 1
247 1 19 GLU H 1 19 GLU HB3 . . 3.240 3.574 3.459 3.678 0.438 6 0 "[ . 1 . ]" 1
248 1 19 GLU H 1 19 GLU HG3 . . 3.820 2.740 2.114 3.550 . 0 0 "[ . 1 . ]" 1
249 1 19 GLU H 1 20 LYS H . . 3.590 2.865 2.680 3.015 . 0 0 "[ . 1 . ]" 1
250 1 19 GLU H 1 21 LEU H . . 4.790 4.171 3.964 4.452 . 0 0 "[ . 1 . ]" 1
251 1 19 GLU HA 1 19 GLU HG3 . . 3.590 3.384 2.935 3.676 0.086 5 0 "[ . 1 . ]" 1
252 1 19 GLU HA 1 22 ASP H . . 4.180 3.876 3.234 4.231 0.051 10 0 "[ . 1 . ]" 1
253 1 19 GLU HB3 1 20 LYS H . . 3.640 3.742 3.047 4.142 0.502 8 1 "[ . + 1 . ]" 1
254 1 20 LYS H 1 21 LEU H . . 3.540 2.470 2.070 2.943 . 0 0 "[ . 1 . ]" 1
255 1 20 LYS H 1 22 ASP H . . 4.960 4.189 3.747 4.593 . 0 0 "[ . 1 . ]" 1
256 1 20 LYS H 1 52 LEU QD . . 4.210 3.601 3.238 4.033 . 0 0 "[ . 1 . ]" 1
257 1 20 LYS H 1 55 LEU QD . . 4.950 4.210 3.453 4.961 0.011 11 0 "[ . 1 . ]" 1
258 1 20 LYS HA 1 52 LEU QD . . 4.660 4.365 4.190 4.584 . 0 0 "[ . 1 . ]" 1
259 1 21 LEU H 1 21 LEU HB3 . . 3.460 2.528 2.265 2.818 . 0 0 "[ . 1 . ]" 1
260 1 21 LEU H 1 21 LEU QD . . 4.990 3.867 3.683 4.074 . 0 0 "[ . 1 . ]" 1
261 1 21 LEU H 1 22 ASP H . . 3.530 2.157 1.750 2.781 . 0 0 "[ . 1 . ]" 1
262 1 21 LEU H 1 23 GLU H . . 5.100 4.104 3.602 4.519 . 0 0 "[ . 1 . ]" 1
263 1 21 LEU H 1 24 ILE H . . 5.500 5.221 4.855 5.555 0.055 11 0 "[ . 1 . ]" 1
264 1 21 LEU H 1 24 ILE MD . . 5.350 4.771 4.535 5.238 . 0 0 "[ . 1 . ]" 1
265 1 21 LEU H 1 55 LEU QD . . 3.950 3.608 2.790 3.999 0.049 8 0 "[ . 1 . ]" 1
266 1 21 LEU HA 1 21 LEU QD . . 3.170 2.203 2.041 2.712 . 0 0 "[ . 1 . ]" 1
267 1 21 LEU HA 1 24 ILE H . . 4.010 3.623 3.435 3.794 . 0 0 "[ . 1 . ]" 1
268 1 21 LEU HA 1 24 ILE HB . . 3.570 3.561 3.349 3.641 0.071 5 0 "[ . 1 . ]" 1
269 1 21 LEU HA 1 24 ILE MD . . 3.470 2.300 1.977 2.781 . 0 0 "[ . 1 . ]" 1
270 1 21 LEU HA 1 24 ILE HG13 . . 4.780 2.995 2.448 3.607 . 0 0 "[ . 1 . ]" 1
271 1 21 LEU HA 1 24 ILE MG . . 5.030 4.561 4.315 4.767 . 0 0 "[ . 1 . ]" 1
272 1 21 LEU HA 1 25 TYR H . . 5.120 5.137 4.938 5.207 0.087 6 0 "[ . 1 . ]" 1
273 1 21 LEU HB3 1 22 ASP H . . 3.950 2.733 2.539 2.871 . 0 0 "[ . 1 . ]" 1
274 1 21 LEU QD 1 24 ILE HB . . 4.140 2.413 2.202 2.613 . 0 0 "[ . 1 . ]" 1
275 1 21 LEU QD 1 24 ILE MD . . 3.530 2.048 1.899 2.401 . 0 0 "[ . 1 . ]" 1
276 1 21 LEU QD 1 24 ILE HG13 . . 4.370 3.464 3.000 3.799 . 0 0 "[ . 1 . ]" 1
277 1 21 LEU QD 1 25 TYR QD . . 4.630 2.942 2.114 3.366 . 0 0 "[ . 1 . ]" 1
278 1 21 LEU QD 1 25 TYR QE . . 4.220 2.101 1.905 2.504 . 0 0 "[ . 1 . ]" 1
279 1 21 LEU MD2 1 22 ASP H . . 4.660 4.640 3.610 4.760 0.100 9 0 "[ . 1 . ]" 1
280 1 21 LEU HG 1 25 TYR QD . . 4.350 3.218 2.653 4.440 0.090 6 0 "[ . 1 . ]" 1
281 1 21 LEU HG 1 25 TYR QE . . 4.990 2.429 2.172 3.908 . 0 0 "[ . 1 . ]" 1
282 1 22 ASP H 1 23 GLU H . . 3.710 3.004 2.788 3.225 . 0 0 "[ . 1 . ]" 1
283 1 22 ASP H 1 24 ILE H . . 5.220 4.428 4.313 4.538 . 0 0 "[ . 1 . ]" 1
284 1 22 ASP HA 1 25 TYR H . . 4.080 3.669 3.324 4.077 . 0 0 "[ . 1 . ]" 1
285 1 22 ASP HA 1 25 TYR HB3 . . 3.660 4.990 4.535 5.409 1.749 17 19 [********-*******+**] 1
286 1 22 ASP HA 1 25 TYR QD . . 3.420 3.128 2.469 3.498 0.078 2 0 "[ . 1 . ]" 1
287 1 22 ASP HA 1 25 TYR QE . . 5.110 4.873 3.982 5.206 0.096 9 0 "[ . 1 . ]" 1
288 1 22 ASP HB3 1 23 GLU H . . 3.980 3.282 2.465 4.022 0.042 11 0 "[ . 1 . ]" 1
289 1 22 ASP HB3 1 23 GLU HA . . 4.280 4.924 4.114 5.593 1.313 2 10 "[ + . *- 1** ** ***]" 1
290 1 23 GLU H 1 23 GLU HB3 . . 3.540 2.766 1.939 3.622 0.082 12 0 "[ . 1 . ]" 1
291 1 23 GLU H 1 24 ILE H . . 3.580 2.818 2.669 2.940 . 0 0 "[ . 1 . ]" 1
292 1 23 GLU H 1 24 ILE HB . . 5.340 5.055 4.814 5.219 . 0 0 "[ . 1 . ]" 1
293 1 23 GLU H 1 24 ILE MD . . 5.130 5.130 4.809 5.225 0.095 6 0 "[ . 1 . ]" 1
294 1 23 GLU H 1 25 TYR H . . 4.350 4.377 4.225 4.430 0.080 12 0 "[ . 1 . ]" 1
295 1 23 GLU HA 1 23 GLU HG3 . . 2.920 2.631 2.303 3.054 0.134 1 0 "[ . 1 . ]" 1
296 1 23 GLU HA 1 25 TYR H . . 4.550 4.249 3.929 4.604 0.054 5 0 "[ . 1 . ]" 1
297 1 23 GLU HA 1 26 VAL H . . 4.170 3.504 3.159 4.063 . 0 0 "[ . 1 . ]" 1
298 1 23 GLU HA 1 26 VAL HB . . 3.440 2.659 2.157 2.924 . 0 0 "[ . 1 . ]" 1
299 1 23 GLU HA 1 26 VAL QG . . 3.340 2.948 2.383 3.294 . 0 0 "[ . 1 . ]" 1
300 1 23 GLU HA 1 27 ALA H . . 4.720 4.317 3.811 4.788 0.068 5 0 "[ . 1 . ]" 1
301 1 23 GLU HB3 1 24 ILE H . . 4.190 3.111 2.610 4.218 0.028 1 0 "[ . 1 . ]" 1
302 1 23 GLU HG3 1 24 ILE H . . 5.090 4.738 2.018 5.229 0.139 3 0 "[ . 1 . ]" 1
303 1 23 GLU HG3 1 24 ILE HA . . 5.500 5.706 4.157 6.539 1.039 14 11 "[ * ** *** *+. -**]" 1
304 1 24 ILE H 1 24 ILE HB . . 3.170 2.450 2.272 2.679 . 0 0 "[ . 1 . ]" 1
305 1 24 ILE H 1 24 ILE MD . . 3.670 3.523 3.176 3.714 0.044 16 0 "[ . 1 . ]" 1
306 1 24 ILE H 1 24 ILE HG13 . . 4.260 2.172 1.914 2.444 . 0 0 "[ . 1 . ]" 1
307 1 24 ILE H 1 24 ILE MG . . 3.690 3.754 3.701 3.774 0.084 1 0 "[ . 1 . ]" 1
308 1 24 ILE H 1 25 TYR H . . 3.530 2.496 2.280 2.658 . 0 0 "[ . 1 . ]" 1
309 1 24 ILE H 1 25 TYR HB3 . . 5.500 6.049 5.846 6.224 0.724 5 12 "[** *+ * *** *- ** ]" 1
310 1 24 ILE H 1 26 VAL H . . 5.330 3.915 3.774 4.071 . 0 0 "[ . 1 . ]" 1
311 1 24 ILE HA 1 24 ILE MD . . 3.890 3.885 3.784 3.950 0.060 10 0 "[ . 1 . ]" 1
312 1 24 ILE HA 1 24 ILE HG13 . . 3.760 3.061 2.646 3.368 . 0 0 "[ . 1 . ]" 1
313 1 24 ILE HA 1 24 ILE MG . . 3.370 2.513 2.345 2.678 . 0 0 "[ . 1 . ]" 1
314 1 24 ILE HA 1 27 ALA MB . . 3.870 3.168 2.571 3.946 0.076 9 0 "[ . 1 . ]" 1
315 1 24 ILE HA 1 29 LEU HG . . 5.220 4.352 3.476 5.293 0.073 12 0 "[ . 1 . ]" 1
316 1 24 ILE HB 1 24 ILE MD . . 3.380 2.464 2.313 2.622 . 0 0 "[ . 1 . ]" 1
317 1 24 ILE HB 1 25 TYR H . . 3.600 2.726 2.535 2.877 . 0 0 "[ . 1 . ]" 1
318 1 24 ILE HB 1 25 TYR QD . . 5.370 3.119 2.474 4.101 . 0 0 "[ . 1 . ]" 1
319 1 24 ILE MD 1 25 TYR H . . 4.680 4.680 4.378 4.772 0.092 16 0 "[ . 1 . ]" 1
320 1 24 ILE MD 1 55 LEU HB3 . . 3.520 2.731 2.381 3.509 . 0 0 "[ . 1 . ]" 1
321 1 24 ILE MD 1 58 PHE HB3 . . 4.840 3.211 2.543 3.785 . 0 0 "[ . 1 . ]" 1
322 1 24 ILE MD 1 58 PHE QD . . 3.320 2.410 2.040 3.226 . 0 0 "[ . 1 . ]" 1
323 1 24 ILE MD 1 59 LYS H . . 4.410 3.700 3.302 3.962 . 0 0 "[ . 1 . ]" 1
324 1 24 ILE MD 1 59 LYS HD3 . . 4.400 4.042 3.639 4.854 0.454 8 0 "[ . 1 . ]" 1
325 1 24 ILE HG13 1 59 LYS HD3 . . 4.630 4.985 3.648 6.024 1.394 8 10 "[ ***.- + 1 * **** ]" 1
326 1 24 ILE HG13 1 59 LYS HG3 . . 2.940 3.876 3.131 4.679 1.739 10 14 "[**-*.* * +** *****]" 1
327 1 24 ILE MG 1 25 TYR H . . 4.130 3.607 3.149 3.823 . 0 0 "[ . 1 . ]" 1
328 1 24 ILE MG 1 25 TYR HA . . 4.450 3.752 3.041 4.131 . 0 0 "[ . 1 . ]" 1
329 1 24 ILE MG 1 25 TYR HB3 . . 5.500 5.574 4.869 5.925 0.425 2 0 "[ . 1 . ]" 1
330 1 24 ILE MG 1 25 TYR QE . . 5.500 4.186 3.555 5.055 . 0 0 "[ . 1 . ]" 1
331 1 24 ILE MG 1 27 ALA H . . 5.080 4.934 4.641 5.181 0.101 9 0 "[ . 1 . ]" 1
332 1 24 ILE MG 1 29 LEU HB3 . . 3.790 2.553 2.292 3.350 . 0 0 "[ . 1 . ]" 1
333 1 24 ILE MG 1 30 VAL MG2 . . 3.510 2.219 1.964 2.459 . 0 0 "[ . 1 . ]" 1
334 1 24 ILE MG 1 58 PHE QD . . 3.670 2.792 2.076 3.416 . 0 0 "[ . 1 . ]" 1
335 1 24 ILE MG 1 59 LYS H . . 5.500 5.091 4.360 5.577 0.077 7 0 "[ . 1 . ]" 1
336 1 25 TYR H 1 25 TYR HB3 . . 3.570 3.592 3.537 3.648 0.078 17 0 "[ . 1 . ]" 1
337 1 25 TYR H 1 25 TYR QD . . 3.620 2.411 1.967 2.941 . 0 0 "[ . 1 . ]" 1
338 1 25 TYR H 1 25 TYR QE . . 5.030 4.537 4.264 4.750 . 0 0 "[ . 1 . ]" 1
339 1 25 TYR H 1 26 VAL H . . 3.610 2.663 2.437 2.895 . 0 0 "[ . 1 . ]" 1
340 1 25 TYR H 1 26 VAL HB . . 4.850 4.653 4.318 4.923 0.073 17 0 "[ . 1 . ]" 1
341 1 25 TYR H 1 26 VAL QG . . 4.520 3.688 3.502 3.854 . 0 0 "[ . 1 . ]" 1
342 1 25 TYR H 1 30 VAL MG2 . . 5.000 3.791 3.556 4.184 . 0 0 "[ . 1 . ]" 1
343 1 25 TYR HA 1 25 TYR QD . . 3.060 2.927 2.471 3.150 0.090 11 0 "[ . 1 . ]" 1
344 1 25 TYR HA 1 26 VAL HA . . 4.890 4.631 4.471 4.764 . 0 0 "[ . 1 . ]" 1
345 1 25 TYR HA 1 28 GLY H . . 5.500 4.331 3.732 4.803 . 0 0 "[ . 1 . ]" 1
346 1 25 TYR HA 1 28 GLY HA2 . . 5.360 5.122 4.296 5.437 0.077 6 0 "[ . 1 . ]" 1
347 1 25 TYR HA 1 29 LEU H . . 5.330 4.434 3.797 4.819 . 0 0 "[ . 1 . ]" 1
348 1 25 TYR HA 1 30 VAL H . . 4.640 3.797 3.295 4.452 . 0 0 "[ . 1 . ]" 1
349 1 25 TYR HA 1 30 VAL MG2 . . 3.930 2.227 1.962 2.579 . 0 0 "[ . 1 . ]" 1
350 1 25 TYR HB3 1 26 VAL H . . 4.280 4.171 3.666 4.509 0.229 17 0 "[ . 1 . ]" 1
351 1 25 TYR HB3 1 26 VAL QG . . 5.220 3.782 3.559 4.159 . 0 0 "[ . 1 . ]" 1
352 1 25 TYR HB3 1 30 VAL MG2 . . 5.500 3.776 3.322 4.205 . 0 0 "[ . 1 . ]" 1
353 1 25 TYR QD 1 26 VAL H . . 4.950 4.682 4.424 4.922 . 0 0 "[ . 1 . ]" 1
354 1 25 TYR QD 1 26 VAL QG . . 4.760 4.644 4.328 4.776 0.016 16 0 "[ . 1 . ]" 1
355 1 25 TYR QD 1 30 VAL MG2 . . 3.470 2.673 2.228 3.058 . 0 0 "[ . 1 . ]" 1
356 1 25 TYR QE 1 30 VAL MG1 . . 4.200 4.030 3.599 4.296 0.096 9 0 "[ . 1 . ]" 1
357 1 25 TYR QE 1 30 VAL MG2 . . 4.380 2.960 2.490 3.314 . 0 0 "[ . 1 . ]" 1
358 1 25 TYR QE 1 32 HIS H . . 5.500 3.805 2.617 4.906 . 0 0 "[ . 1 . ]" 1
359 1 25 TYR QE 1 32 HIS HA . . 3.670 2.250 1.972 2.505 . 0 0 "[ . 1 . ]" 1
360 1 25 TYR QE 1 32 HIS HB3 . . 5.150 4.718 3.653 5.231 0.081 7 0 "[ . 1 . ]" 1
361 1 26 VAL H 1 26 VAL HB . . 3.250 2.460 2.111 2.688 . 0 0 "[ . 1 . ]" 1
362 1 26 VAL H 1 26 VAL QG . . 3.060 2.570 2.385 2.959 . 0 0 "[ . 1 . ]" 1
363 1 26 VAL H 1 27 ALA H . . 3.570 2.113 1.849 2.400 . 0 0 "[ . 1 . ]" 1
364 1 26 VAL H 1 27 ALA HA . . 4.940 4.814 4.571 5.020 0.080 10 0 "[ . 1 . ]" 1
365 1 26 VAL H 1 27 ALA MB . . 4.900 3.831 3.469 4.215 . 0 0 "[ . 1 . ]" 1
366 1 26 VAL H 1 28 GLY H . . 5.420 3.924 3.456 4.302 . 0 0 "[ . 1 . ]" 1
367 1 26 VAL H 1 29 LEU H . . 4.890 4.840 4.284 4.972 0.082 3 0 "[ . 1 . ]" 1
368 1 26 VAL HA 1 26 VAL QG . . 3.080 2.161 2.102 2.243 . 0 0 "[ . 1 . ]" 1
369 1 26 VAL HA 1 27 ALA HA . . 4.760 4.717 4.523 4.837 0.077 6 0 "[ . 1 . ]" 1
370 1 26 VAL HA 1 28 GLY H . . 4.110 3.800 3.549 4.174 0.064 6 0 "[ . 1 . ]" 1
371 1 26 VAL HB 1 27 ALA H . . 3.680 2.979 2.670 3.381 . 0 0 "[ . 1 . ]" 1
372 1 26 VAL QG 1 27 ALA H . . 4.040 3.429 3.224 3.650 . 0 0 "[ . 1 . ]" 1
373 1 26 VAL QG 1 27 ALA HA . . 4.340 3.696 3.227 4.102 . 0 0 "[ . 1 . ]" 1
374 1 26 VAL QG 1 27 ALA MB . . 4.970 3.859 3.227 4.204 . 0 0 "[ . 1 . ]" 1
375 1 26 VAL QG 1 28 GLY H . . 5.100 4.434 4.182 4.726 . 0 0 "[ . 1 . ]" 1
376 1 27 ALA H 1 27 ALA MB . . 3.000 2.229 2.136 2.370 . 0 0 "[ . 1 . ]" 1
377 1 27 ALA H 1 28 GLY H . . 3.310 2.803 2.514 3.093 . 0 0 "[ . 1 . ]" 1
378 1 27 ALA H 1 29 LEU H . . 4.270 3.710 3.456 4.031 . 0 0 "[ . 1 . ]" 1
379 1 27 ALA H 1 30 VAL H . . 5.500 5.525 5.342 5.578 0.078 7 0 "[ . 1 . ]" 1
380 1 27 ALA MB 1 28 GLY H . . 3.890 3.389 2.523 3.736 . 0 0 "[ . 1 . ]" 1
381 1 27 ALA MB 1 28 GLY HA2 . . 5.220 4.889 4.410 5.195 . 0 0 "[ . 1 . ]" 1
382 1 27 ALA MB 1 28 GLY HA3 . . 5.220 4.487 4.118 4.684 . 0 0 "[ . 1 . ]" 1
383 1 27 ALA MB 1 29 LEU H . . 3.910 3.123 2.499 3.998 0.088 9 0 "[ . 1 . ]" 1
384 1 27 ALA MB 1 29 LEU MD1 . . 3.660 2.579 1.938 3.801 0.141 19 0 "[ . 1 . ]" 1
385 1 28 GLY H 1 29 LEU H . . 3.410 2.653 2.024 3.049 . 0 0 "[ . 1 . ]" 1
386 1 28 GLY H 1 30 VAL H . . 4.550 4.015 3.413 4.425 . 0 0 "[ . 1 . ]" 1
387 1 28 GLY HA3 1 30 VAL H . . 4.730 4.517 4.270 4.795 0.065 9 0 "[ . 1 . ]" 1
388 1 29 LEU H 1 29 LEU HB3 . . 3.460 3.520 3.384 3.671 0.211 3 0 "[ . 1 . ]" 1
389 1 29 LEU H 1 29 LEU MD1 . . 4.130 3.440 2.061 3.907 . 0 0 "[ . 1 . ]" 1
390 1 29 LEU H 1 29 LEU MD2 . . 4.170 3.969 3.604 4.205 0.035 18 0 "[ . 1 . ]" 1
391 1 29 LEU H 1 29 LEU HG . . 3.470 2.965 2.428 3.558 0.088 15 0 "[ . 1 . ]" 1
392 1 29 LEU H 1 30 VAL H . . 3.310 2.530 2.466 2.635 . 0 0 "[ . 1 . ]" 1
393 1 29 LEU H 1 30 VAL HA . . 5.110 5.180 5.149 5.199 0.089 12 0 "[ . 1 . ]" 1
394 1 29 LEU HA 1 29 LEU MD1 . . 4.240 3.748 2.810 3.935 . 0 0 "[ . 1 . ]" 1
395 1 29 LEU HA 1 29 LEU MD2 . . 3.010 2.347 2.082 3.796 0.786 12 2 "[ . 1 + - ]" 1
396 1 29 LEU HA 1 29 LEU HG . . 3.430 2.727 2.369 3.181 . 0 0 "[ . 1 . ]" 1
397 1 29 LEU HA 1 63 LEU MD1 . . 5.200 3.745 2.613 4.425 . 0 0 "[ . 1 . ]" 1
398 1 29 LEU HB3 1 29 LEU MD1 . . 3.340 2.557 2.286 3.274 . 0 0 "[ . 1 . ]" 1
399 1 29 LEU HB3 1 30 VAL H . . 3.870 3.880 3.492 4.098 0.228 14 0 "[ . 1 . ]" 1
400 1 29 LEU HB3 1 63 LEU MD1 . . 4.900 2.881 2.124 3.733 . 0 0 "[ . 1 . ]" 1
401 1 29 LEU MD1 1 30 VAL H . . 5.380 4.915 4.127 5.235 . 0 0 "[ . 1 . ]" 1
402 1 29 LEU MD1 1 59 LYS HA . . 3.410 2.546 2.040 4.232 0.822 15 2 "[ . 1 - + ]" 1
403 1 29 LEU MD1 1 63 LEU MD1 . . 4.430 3.506 2.341 4.040 . 0 0 "[ . 1 . ]" 1
404 1 29 LEU MD2 1 30 VAL H . . 5.470 4.951 4.739 5.153 . 0 0 "[ . 1 . ]" 1
405 1 29 LEU MD2 1 59 LYS HA . . 4.160 3.231 2.067 4.256 0.096 19 0 "[ . 1 . ]" 1
406 1 29 LEU MD2 1 63 LEU H . . 5.480 4.662 3.724 5.588 0.108 15 0 "[ . 1 . ]" 1
407 1 29 LEU MD2 1 63 LEU MD1 . . 4.280 2.227 1.995 2.706 . 0 0 "[ . 1 . ]" 1
408 1 29 LEU HG 1 30 VAL H . . 5.450 4.923 4.481 5.222 . 0 0 "[ . 1 . ]" 1
409 1 29 LEU HG 1 63 LEU MD1 . . 5.350 4.366 2.239 4.957 . 0 0 "[ . 1 . ]" 1
410 1 30 VAL H 1 30 VAL HB . . 3.850 3.794 3.674 3.850 . 0 0 "[ . 1 . ]" 1
411 1 30 VAL H 1 30 VAL MG1 . . 3.870 3.338 2.997 3.693 . 0 0 "[ . 1 . ]" 1
412 1 30 VAL H 1 30 VAL MG2 . . 3.380 2.348 2.064 2.550 . 0 0 "[ . 1 . ]" 1
413 1 30 VAL H 1 31 ALA H . . 4.910 4.385 4.202 4.565 . 0 0 "[ . 1 . ]" 1
414 1 30 VAL H 1 31 ALA MB . . 5.500 5.338 5.069 5.544 0.044 8 0 "[ . 1 . ]" 1
415 1 30 VAL HA 1 30 VAL MG1 . . 3.420 2.272 2.106 2.344 . 0 0 "[ . 1 . ]" 1
416 1 30 VAL HA 1 30 VAL MG2 . . 3.720 3.257 3.222 3.275 . 0 0 "[ . 1 . ]" 1
417 1 30 VAL HA 1 31 ALA H . . 2.850 2.370 2.198 2.804 . 0 0 "[ . 1 . ]" 1
418 1 30 VAL HA 1 31 ALA MB . . 4.250 3.902 3.727 4.241 . 0 0 "[ . 1 . ]" 1
419 1 30 VAL HB 1 31 ALA H . . 3.480 2.331 1.730 2.657 . 0 0 "[ . 1 . ]" 1
420 1 30 VAL HB 1 31 ALA HA . . 4.260 4.342 4.260 4.363 0.103 16 0 "[ . 1 . ]" 1
421 1 30 VAL HB 1 31 ALA MB . . 4.570 4.101 3.856 4.319 . 0 0 "[ . 1 . ]" 1
422 1 30 VAL HB 1 34 ASP HB3 . . 3.910 3.192 2.608 3.863 . 0 0 "[ . 1 . ]" 1
423 1 30 VAL MG1 1 31 ALA H . . 3.900 3.387 3.049 3.553 . 0 0 "[ . 1 . ]" 1
424 1 30 VAL MG1 1 32 HIS HA . . 5.440 5.193 4.662 5.551 0.111 18 0 "[ . 1 . ]" 1
425 1 30 VAL MG1 1 34 ASP HB3 . . 4.540 2.783 2.221 4.064 . 0 0 "[ . 1 . ]" 1
426 1 30 VAL MG1 1 58 PHE HZ . . 3.560 2.788 2.240 3.305 . 0 0 "[ . 1 . ]" 1
427 1 30 VAL MG1 1 63 LEU MD1 . . 4.340 3.523 2.249 4.448 0.108 9 0 "[ . 1 . ]" 1
428 1 30 VAL MG2 1 31 ALA H . . 3.810 3.641 2.804 3.910 0.100 5 0 "[ . 1 . ]" 1
429 1 30 VAL MG2 1 32 HIS HA . . 5.240 3.545 2.952 4.501 . 0 0 "[ . 1 . ]" 1
430 1 30 VAL MG2 1 34 ASP HB3 . . 4.500 4.475 4.056 4.877 0.377 2 0 "[ . 1 . ]" 1
431 1 31 ALA H 1 31 ALA MB . . 3.070 2.301 2.181 2.569 . 0 0 "[ . 1 . ]" 1
432 1 31 ALA H 1 34 ASP H . . 4.790 3.973 2.909 4.865 0.075 8 0 "[ . 1 . ]" 1
433 1 31 ALA H 1 34 ASP HB3 . . 4.000 3.443 2.256 4.360 0.360 18 0 "[ . 1 . ]" 1
434 1 31 ALA MB 1 32 HIS H . . 4.190 3.465 2.384 3.754 . 0 0 "[ . 1 . ]" 1
435 1 31 ALA MB 1 32 HIS HA . . 5.190 4.888 4.264 5.103 . 0 0 "[ . 1 . ]" 1
436 1 31 ALA MB 1 33 SER H . . 4.760 3.380 2.377 4.027 . 0 0 "[ . 1 . ]" 1
437 1 31 ALA MB 1 33 SER HA . . 5.370 5.182 4.403 5.480 0.110 9 0 "[ . 1 . ]" 1
438 1 31 ALA MB 1 34 ASP H . . 4.020 3.834 3.102 4.126 0.106 15 0 "[ . 1 . ]" 1
439 1 31 ALA MB 1 34 ASP HB3 . . 4.960 4.237 2.227 5.052 0.092 6 0 "[ . 1 . ]" 1
440 1 32 HIS H 1 32 HIS HB3 . . 3.700 3.440 2.418 3.927 0.227 17 0 "[ . 1 . ]" 1
441 1 32 HIS H 1 32 HIS HD2 . . 5.500 4.672 2.208 5.587 0.087 19 0 "[ . 1 . ]" 1
442 1 32 HIS H 1 33 SER H . . 5.110 3.613 2.520 4.150 . 0 0 "[ . 1 . ]" 1
443 1 32 HIS HA 1 34 ASP H . . 4.490 4.023 3.574 4.555 0.065 15 0 "[ . 1 . ]" 1
444 1 32 HIS HB3 1 32 HIS HD2 . . 3.690 3.570 2.661 3.936 0.246 7 0 "[ . 1 . ]" 1
445 1 32 HIS HB3 1 33 SER H . . 4.250 3.076 2.076 4.000 . 0 0 "[ . 1 . ]" 1
446 1 32 HIS HD2 1 33 SER HA . . 5.500 4.598 3.130 5.572 0.072 16 0 "[ . 1 . ]" 1
447 1 33 SER HA 1 33 SER HB3 . . 2.970 2.757 2.239 3.056 0.086 6 0 "[ . 1 . ]" 1
448 1 33 SER HA 1 35 LEU H . . 4.350 3.384 2.733 4.416 0.066 16 0 "[ . 1 . ]" 1
449 1 34 ASP H 1 34 ASP HB3 . . 3.440 3.052 2.390 3.643 0.203 6 0 "[ . 1 . ]" 1
450 1 34 ASP H 1 35 LEU H . . 3.360 2.532 1.891 3.078 . 0 0 "[ . 1 . ]" 1
451 1 34 ASP H 1 35 LEU QD . . 5.500 3.839 2.138 4.930 . 0 0 "[ . 1 . ]" 1
452 1 34 ASP HB3 1 35 LEU H . . 4.330 3.667 2.220 4.191 . 0 0 "[ . 1 . ]" 1
453 1 34 ASP HB3 1 35 LEU QD . . 5.500 3.092 2.117 4.179 . 0 0 "[ . 1 . ]" 1
454 1 35 LEU H 1 35 LEU HB3 . . 3.980 3.669 3.238 3.875 . 0 0 "[ . 1 . ]" 1
455 1 35 LEU H 1 35 LEU QD . . 4.230 2.961 2.012 3.759 . 0 0 "[ . 1 . ]" 1
456 1 35 LEU H 1 35 LEU HG . . 3.870 3.567 2.832 3.961 0.091 18 0 "[ . 1 . ]" 1
457 1 35 LEU H 1 36 ASP H . . 4.630 4.403 4.140 4.630 0.000 8 0 "[ . 1 . ]" 1
458 1 35 LEU HA 1 35 LEU QD . . 3.180 2.153 2.034 2.388 . 0 0 "[ . 1 . ]" 1
459 1 35 LEU HA 1 36 ASP H . . 2.930 2.377 2.081 2.707 . 0 0 "[ . 1 . ]" 1
460 1 35 LEU HA 1 39 ALA H . . 5.500 5.370 4.741 5.583 0.083 10 0 "[ . 1 . ]" 1
461 1 35 LEU HA 1 39 ALA MB . . 4.440 3.445 2.723 3.867 . 0 0 "[ . 1 . ]" 1
462 1 35 LEU HA 1 70 SER H . . 5.500 3.631 2.588 4.730 . 0 0 "[ . 1 . ]" 1
463 1 35 LEU HB3 1 36 ASP H . . 4.180 2.727 1.862 3.780 . 0 0 "[ . 1 . ]" 1
464 1 35 LEU HB3 1 39 ALA MB . . 3.820 2.568 2.203 3.888 0.068 12 0 "[ . 1 . ]" 1
465 1 35 LEU QD 1 36 ASP H . . 4.290 3.423 3.079 4.214 . 0 0 "[ . 1 . ]" 1
466 1 35 LEU QD 1 39 ALA MB . . 3.910 2.370 2.022 3.188 . 0 0 "[ . 1 . ]" 1
467 1 35 LEU QD 1 70 SER H . . 4.460 3.531 2.758 4.307 . 0 0 "[ . 1 . ]" 1
468 1 35 LEU QD 1 70 SER HB3 . . 4.610 3.052 2.247 3.867 . 0 0 "[ . 1 . ]" 1
469 1 35 LEU QD 1 73 LEU H . . 4.970 4.069 3.284 4.904 . 0 0 "[ . 1 . ]" 1
470 1 35 LEU QD 1 73 LEU QD . . 4.920 2.065 1.791 3.051 . 0 0 "[ . 1 . ]" 1
471 1 35 LEU HG 1 36 ASP H . . 5.500 4.868 3.278 5.586 0.086 12 0 "[ . 1 . ]" 1
472 1 36 ASP H 1 36 ASP HB3 . . 3.670 3.592 2.644 3.842 0.172 13 0 "[ . 1 . ]" 1
473 1 36 ASP H 1 37 GLU H . . 4.650 4.424 4.190 4.706 0.056 12 0 "[ . 1 . ]" 1
474 1 36 ASP H 1 39 ALA MB . . 4.040 2.611 2.108 3.265 . 0 0 "[ . 1 . ]" 1
475 1 36 ASP H 1 40 ILE H . . 4.650 4.407 3.710 4.720 0.070 14 0 "[ . 1 . ]" 1
476 1 36 ASP H 1 70 SER HB3 . . 4.180 2.799 1.767 4.117 . 0 0 "[ . 1 . ]" 1
477 1 36 ASP HA 1 37 GLU H . . 3.020 2.418 2.234 2.627 . 0 0 "[ . 1 . ]" 1
478 1 36 ASP HA 1 40 ILE H . . 5.500 5.245 3.063 5.586 0.086 13 0 "[ . 1 . ]" 1
479 1 36 ASP HB3 1 37 GLU H . . 3.600 2.610 2.266 3.677 0.077 10 0 "[ . 1 . ]" 1
480 1 36 ASP HB3 1 39 ALA H . . 5.500 3.998 3.066 5.583 0.083 14 0 "[ . 1 . ]" 1
481 1 36 ASP HB3 1 39 ALA MB . . 5.470 4.706 4.101 5.153 . 0 0 "[ . 1 . ]" 1
482 1 37 GLU H 1 38 ARG H . . 3.610 2.707 2.536 3.700 0.090 14 0 "[ . 1 . ]" 1
483 1 37 GLU H 1 38 ARG HA . . 5.210 5.279 5.204 5.299 0.089 14 0 "[ . 1 . ]" 1
484 1 37 GLU HA 1 40 ILE H . . 3.870 3.343 3.033 3.860 . 0 0 "[ . 1 . ]" 1
485 1 37 GLU HA 1 40 ILE HB . . 3.480 2.649 2.162 3.282 . 0 0 "[ . 1 . ]" 1
486 1 37 GLU HA 1 40 ILE MD . . 4.730 4.349 3.525 4.812 0.082 17 0 "[ . 1 . ]" 1
487 1 37 GLU HA 1 40 ILE HG13 . . 4.490 3.204 2.449 3.872 . 0 0 "[ . 1 . ]" 1
488 1 37 GLU HA 1 40 ILE MG . . 5.060 3.936 3.294 4.548 . 0 0 "[ . 1 . ]" 1
489 1 38 ARG H 1 38 ARG HB3 . . 3.350 3.613 3.532 3.732 0.382 14 0 "[ . 1 . ]" 1
490 1 38 ARG H 1 41 GLU H . . 5.020 4.876 4.699 5.094 0.074 3 0 "[ . 1 . ]" 1
491 1 38 ARG HA 1 41 GLU H . . 3.810 3.630 3.171 3.864 0.054 16 0 "[ . 1 . ]" 1
492 1 38 ARG HA 1 42 ALA H . . 4.680 4.462 4.121 4.740 0.060 6 0 "[ . 1 . ]" 1
493 1 39 ALA H 1 39 ALA MB . . 3.420 2.303 2.163 2.441 . 0 0 "[ . 1 . ]" 1
494 1 39 ALA H 1 40 ILE H . . 3.510 2.414 2.031 2.705 . 0 0 "[ . 1 . ]" 1
495 1 39 ALA H 1 41 GLU H . . 4.590 4.197 3.671 4.392 . 0 0 "[ . 1 . ]" 1
496 1 39 ALA HA 1 42 ALA H . . 3.910 3.588 3.171 3.906 . 0 0 "[ . 1 . ]" 1
497 1 39 ALA HA 1 42 ALA MB . . 3.370 3.002 2.605 3.450 0.080 14 0 "[ . 1 . ]" 1
498 1 39 ALA HA 1 43 LEU HG . . 5.360 4.146 3.772 4.675 . 0 0 "[ . 1 . ]" 1
499 1 39 ALA HA 1 77 MET ME . . 3.430 3.076 2.370 3.510 0.080 1 0 "[ . 1 . ]" 1
500 1 39 ALA MB 1 40 ILE H . . 3.560 2.790 2.571 3.299 . 0 0 "[ . 1 . ]" 1
501 1 39 ALA MB 1 40 ILE HA . . 5.500 3.971 3.742 4.287 . 0 0 "[ . 1 . ]" 1
502 1 39 ALA MB 1 73 LEU H . . 4.750 4.857 4.837 4.875 0.125 19 0 "[ . 1 . ]" 1
503 1 39 ALA MB 1 73 LEU QD . . 3.790 2.813 1.985 3.712 . 0 0 "[ . 1 . ]" 1
504 1 39 ALA MB 1 74 CYS H . . 4.720 4.097 3.692 4.641 . 0 0 "[ . 1 . ]" 1
505 1 39 ALA MB 1 74 CYS HB3 . . 5.450 4.620 3.326 5.528 0.078 13 0 "[ . 1 . ]" 1
506 1 39 ALA MB 1 77 MET ME . . 4.170 3.192 2.535 3.949 . 0 0 "[ . 1 . ]" 1
507 1 40 ILE H 1 40 ILE HB . . 3.130 2.497 2.242 2.746 . 0 0 "[ . 1 . ]" 1
508 1 40 ILE H 1 40 ILE MD . . 4.010 3.342 2.619 4.109 0.099 14 0 "[ . 1 . ]" 1
509 1 40 ILE H 1 40 ILE HG13 . . 3.640 3.535 2.352 3.707 0.067 19 0 "[ . 1 . ]" 1
510 1 40 ILE H 1 40 ILE MG . . 4.010 3.794 3.697 3.854 . 0 0 "[ . 1 . ]" 1
511 1 40 ILE H 1 41 GLU H . . 3.520 2.786 2.464 2.958 . 0 0 "[ . 1 . ]" 1
512 1 40 ILE H 1 42 ALA H . . 4.300 4.363 4.345 4.384 0.084 19 0 "[ . 1 . ]" 1
513 1 40 ILE HA 1 40 ILE MD . . 3.310 2.302 2.091 3.423 0.113 7 0 "[ . 1 . ]" 1
514 1 40 ILE HA 1 40 ILE HG13 . . 3.670 3.706 3.398 3.757 0.087 1 0 "[ . 1 . ]" 1
515 1 40 ILE HA 1 40 ILE MG . . 3.270 2.486 2.313 2.723 . 0 0 "[ . 1 . ]" 1
516 1 40 ILE HA 1 42 ALA H . . 5.050 4.571 4.393 4.739 . 0 0 "[ . 1 . ]" 1
517 1 40 ILE HA 1 43 LEU H . . 3.760 3.437 3.154 3.625 . 0 0 "[ . 1 . ]" 1
518 1 40 ILE HA 1 43 LEU HB3 . . 3.870 3.901 3.715 3.958 0.088 14 0 "[ . 1 . ]" 1
519 1 40 ILE HA 1 43 LEU HG . . 5.040 4.358 4.023 5.086 0.046 19 0 "[ . 1 . ]" 1
520 1 40 ILE HA 1 44 LYS H . . 5.500 5.118 4.032 5.555 0.055 13 0 "[ . 1 . ]" 1
521 1 40 ILE HA 1 77 MET ME . . 5.500 5.259 4.861 5.588 0.088 14 0 "[ . 1 . ]" 1
522 1 40 ILE HB 1 40 ILE MD . . 3.550 3.239 2.787 3.306 . 0 0 "[ . 1 . ]" 1
523 1 40 ILE HB 1 41 GLU H . . 3.440 2.657 2.387 2.986 . 0 0 "[ . 1 . ]" 1
524 1 40 ILE MD 1 40 ILE MG . . 2.900 2.142 1.952 2.262 . 0 0 "[ . 1 . ]" 1
525 1 40 ILE MD 1 41 GLU H . . 5.500 4.796 4.500 4.996 . 0 0 "[ . 1 . ]" 1
526 1 40 ILE HG13 1 40 ILE MG . . 3.740 2.382 2.173 3.193 . 0 0 "[ . 1 . ]" 1
527 1 40 ILE MG 1 41 GLU H . . 4.060 3.379 3.057 3.674 . 0 0 "[ . 1 . ]" 1
528 1 40 ILE MG 1 41 GLU HA . . 3.920 3.474 2.900 3.891 . 0 0 "[ . 1 . ]" 1
529 1 40 ILE MG 1 42 ALA H . . 5.500 5.129 4.884 5.307 . 0 0 "[ . 1 . ]" 1
530 1 40 ILE MG 1 43 LEU H . . 5.060 4.608 4.271 4.945 . 0 0 "[ . 1 . ]" 1
531 1 41 GLU H 1 42 ALA H . . 3.410 2.850 2.734 3.046 . 0 0 "[ . 1 . ]" 1
532 1 41 GLU H 1 42 ALA MB . . 4.610 4.536 4.437 4.684 0.074 14 0 "[ . 1 . ]" 1
533 1 41 GLU HA 1 44 LYS H . . 4.390 3.967 3.450 4.464 0.074 5 0 "[ . 1 . ]" 1
534 1 41 GLU HA 1 45 GLU H . . 5.500 5.392 4.597 5.576 0.076 10 0 "[ . 1 . ]" 1
535 1 42 ALA H 1 42 ALA MB . . 2.960 2.240 2.196 2.296 . 0 0 "[ . 1 . ]" 1
536 1 42 ALA H 1 77 MET ME . . 4.830 4.233 3.882 4.502 . 0 0 "[ . 1 . ]" 1
537 1 42 ALA HA 1 45 GLU H . . 4.120 3.824 3.432 4.184 0.064 10 0 "[ . 1 . ]" 1
538 1 42 ALA MB 1 43 LEU H . . 3.410 2.856 2.441 3.282 . 0 0 "[ . 1 . ]" 1
539 1 42 ALA MB 1 77 MET ME . . 3.240 2.320 1.991 2.681 . 0 0 "[ . 1 . ]" 1
540 1 43 LEU H 1 43 LEU MD1 . . 4.400 3.665 3.290 4.171 . 0 0 "[ . 1 . ]" 1
541 1 43 LEU H 1 43 LEU MD2 . . 4.190 3.892 3.737 4.081 . 0 0 "[ . 1 . ]" 1
542 1 43 LEU H 1 43 LEU HG . . 3.060 2.804 2.448 3.133 0.073 2 0 "[ . 1 . ]" 1
543 1 43 LEU H 1 77 MET ME . . 3.650 3.507 3.043 3.755 0.105 10 0 "[ . 1 . ]" 1
544 1 43 LEU HA 1 43 LEU MD2 . . 3.480 2.116 2.027 2.219 . 0 0 "[ . 1 . ]" 1
545 1 43 LEU HA 1 43 LEU HG . . 3.120 2.840 2.388 3.169 0.049 2 0 "[ . 1 . ]" 1
546 1 43 LEU HA 1 46 PHE HB3 . . 5.230 4.500 4.077 5.100 . 0 0 "[ . 1 . ]" 1
547 1 43 LEU HA 1 46 PHE QD . . 3.330 2.562 2.201 2.897 . 0 0 "[ . 1 . ]" 1
548 1 43 LEU HA 1 46 PHE QE . . 3.760 2.698 2.148 3.849 0.089 14 0 "[ . 1 . ]" 1
549 1 43 LEU HA 1 51 ALA HA . . 5.500 5.404 4.976 5.578 0.078 19 0 "[ . 1 . ]" 1
550 1 43 LEU HA 1 77 MET ME . . 3.570 3.660 3.581 3.685 0.115 13 0 "[ . 1 . ]" 1
551 1 43 LEU HB3 1 43 LEU MD2 . . 3.480 2.376 2.195 2.576 . 0 0 "[ . 1 . ]" 1
552 1 43 LEU HB3 1 77 MET ME . . 4.960 4.495 4.334 4.686 . 0 0 "[ . 1 . ]" 1
553 1 43 LEU MD1 1 54 VAL QG . . 4.400 4.132 3.178 4.396 . 0 0 "[ . 1 . ]" 1
554 1 43 LEU MD1 1 77 MET ME . . 3.690 2.831 2.238 3.406 . 0 0 "[ . 1 . ]" 1
555 1 43 LEU MD2 1 46 PHE HB3 . . 4.950 4.527 3.757 4.781 . 0 0 "[ . 1 . ]" 1
556 1 43 LEU MD2 1 46 PHE QD . . 4.180 2.903 2.381 3.406 . 0 0 "[ . 1 . ]" 1
557 1 43 LEU MD2 1 51 ALA H . . 5.500 5.379 4.829 5.599 0.099 4 0 "[ . 1 . ]" 1
558 1 43 LEU MD2 1 51 ALA HA . . 3.710 3.508 3.042 3.768 0.058 5 0 "[ . 1 . ]" 1
559 1 43 LEU MD2 1 51 ALA MB . . 3.580 3.176 2.619 3.654 0.074 11 0 "[ . 1 . ]" 1
560 1 43 LEU MD2 1 54 VAL HB . . 4.610 3.890 3.253 4.620 0.010 13 0 "[ . 1 . ]" 1
561 1 43 LEU MD2 1 54 VAL QG . . 3.750 2.828 2.394 3.508 . 0 0 "[ . 1 . ]" 1
562 1 43 LEU MD2 1 77 MET ME . . 4.430 2.343 2.135 2.701 . 0 0 "[ . 1 . ]" 1
563 1 43 LEU HG 1 46 PHE QD . . 5.500 4.906 4.197 5.503 0.003 14 0 "[ . 1 . ]" 1
564 1 43 LEU HG 1 77 MET ME . . 3.830 2.055 1.871 2.269 . 0 0 "[ . 1 . ]" 1
565 1 44 LYS H 1 44 LYS HB3 . . 3.260 2.985 2.457 3.684 0.424 19 0 "[ . 1 . ]" 1
566 1 44 LYS H 1 45 GLU H . . 3.400 2.199 1.760 2.744 . 0 0 "[ . 1 . ]" 1
567 1 44 LYS HB3 1 45 GLU H . . 4.440 3.266 2.282 4.242 . 0 0 "[ . 1 . ]" 1
568 1 45 GLU H 1 45 GLU HG3 . . 3.800 2.871 2.277 3.734 . 0 0 "[ . 1 . ]" 1
569 1 45 GLU H 1 46 PHE HB3 . . 5.280 4.931 4.364 5.359 0.079 1 0 "[ . 1 . ]" 1
570 1 45 GLU HA 1 46 PHE H . . 3.200 2.490 2.064 3.187 . 0 0 "[ . 1 . ]" 1
571 1 45 GLU HG3 1 46 PHE H . . 5.500 4.981 3.770 6.101 0.601 17 1 "[ . 1 . + ]" 1
572 1 46 PHE H 1 47 ASN H . . 4.540 4.402 4.241 4.588 0.048 8 0 "[ . 1 . ]" 1
573 1 46 PHE H 1 51 ALA MB . . 5.000 5.067 4.869 5.111 0.111 1 0 "[ . 1 . ]" 1
574 1 46 PHE HA 1 46 PHE QD . . 4.110 3.746 3.711 3.778 . 0 0 "[ . 1 . ]" 1
575 1 46 PHE HA 1 47 ASN H . . 2.990 2.422 2.201 2.723 . 0 0 "[ . 1 . ]" 1
576 1 46 PHE HA 1 51 ALA MB . . 5.500 5.461 5.156 5.600 0.100 16 0 "[ . 1 . ]" 1
577 1 46 PHE HB3 1 47 ASN H . . 4.380 3.529 3.300 3.657 . 0 0 "[ . 1 . ]" 1
578 1 46 PHE HB3 1 51 ALA H . . 4.020 3.933 3.556 4.105 0.085 17 0 "[ . 1 . ]" 1
579 1 46 PHE HB3 1 51 ALA MB . . 4.070 3.856 3.249 4.144 0.074 18 0 "[ . 1 . ]" 1
580 1 46 PHE QD 1 50 GLY HA3 . . 4.430 4.396 4.050 4.512 0.082 6 0 "[ . 1 . ]" 1
581 1 46 PHE QD 1 51 ALA H . . 5.390 3.464 3.201 3.753 . 0 0 "[ . 1 . ]" 1
582 1 46 PHE QD 1 51 ALA MB . . 4.420 2.825 2.340 2.953 . 0 0 "[ . 1 . ]" 1
583 1 47 ASN H 1 47 ASN HB3 . . 3.420 2.854 2.566 3.010 . 0 0 "[ . 1 . ]" 1
584 1 47 ASN H 1 47 ASN HD21 . . 5.500 4.468 2.476 4.891 . 0 0 "[ . 1 . ]" 1
585 1 47 ASN H 1 47 ASN HD22 . . 5.010 4.284 3.679 4.717 . 0 0 "[ . 1 . ]" 1
586 1 47 ASN H 1 49 ASP H . . 5.310 4.790 4.109 5.350 0.040 5 0 "[ . 1 . ]" 1
587 1 47 ASN H 1 50 GLY H . . 4.380 3.509 3.111 4.183 . 0 0 "[ . 1 . ]" 1
588 1 47 ASN H 1 51 ALA MB . . 5.330 5.300 4.844 5.427 0.097 19 0 "[ . 1 . ]" 1
589 1 47 ASN HA 1 47 ASN HB3 . . 3.020 2.459 2.392 2.560 . 0 0 "[ . 1 . ]" 1
590 1 47 ASN HA 1 48 GLU H . . 3.120 2.469 2.219 2.862 . 0 0 "[ . 1 . ]" 1
591 1 47 ASN HA 1 48 GLU HB3 . . 4.980 4.781 4.411 5.058 0.078 15 0 "[ . 1 . ]" 1
592 1 47 ASN HB3 1 47 ASN HD22 . . 3.840 3.917 3.568 4.018 0.178 7 0 "[ . 1 . ]" 1
593 1 47 ASN HB3 1 48 GLU H . . 3.520 3.584 3.524 3.606 0.086 14 0 "[ . 1 . ]" 1
594 1 47 ASN HB3 1 48 GLU HB3 . . 5.420 5.383 5.220 5.498 0.078 15 0 "[ . 1 . ]" 1
595 1 47 ASN HB3 1 49 ASP H . . 4.590 4.573 4.136 4.681 0.091 5 0 "[ . 1 . ]" 1
596 1 47 ASN HD21 1 48 GLU H . . 5.500 3.730 3.095 4.621 . 0 0 "[ . 1 . ]" 1
597 1 47 ASN HD21 1 49 ASP H . . 5.300 2.579 2.161 4.298 . 0 0 "[ . 1 . ]" 1
598 1 47 ASN HD21 1 49 ASP HB3 . . 5.290 3.209 2.386 4.453 . 0 0 "[ . 1 . ]" 1
599 1 47 ASN HD22 1 48 GLU H . . 5.310 4.859 4.291 5.477 0.167 6 0 "[ . 1 . ]" 1
600 1 47 ASN HD22 1 49 ASP H . . 4.760 3.026 2.368 3.802 . 0 0 "[ . 1 . ]" 1
601 1 47 ASN HD22 1 49 ASP HA . . 5.500 4.845 4.545 5.536 0.036 6 0 "[ . 1 . ]" 1
602 1 48 GLU H 1 48 GLU HB3 . . 2.980 2.334 2.069 2.647 . 0 0 "[ . 1 . ]" 1
603 1 48 GLU H 1 49 ASP H . . 3.630 2.997 2.625 3.179 . 0 0 "[ . 1 . ]" 1
604 1 48 GLU HB3 1 49 ASP H . . 3.510 2.782 2.322 3.543 0.033 9 0 "[ . 1 . ]" 1
605 1 48 GLU HB3 1 50 GLY H . . 5.500 4.803 4.498 5.375 . 0 0 "[ . 1 . ]" 1
606 1 49 ASP H 1 49 ASP HB3 . . 3.130 2.675 2.305 3.112 . 0 0 "[ . 1 . ]" 1
607 1 49 ASP H 1 52 LEU QD . . 5.500 4.541 3.889 4.854 . 0 0 "[ . 1 . ]" 1
608 1 49 ASP HA 1 51 ALA H . . 5.050 4.774 4.257 5.117 0.067 13 0 "[ . 1 . ]" 1
609 1 49 ASP HA 1 52 LEU H . . 4.590 3.700 2.953 4.112 . 0 0 "[ . 1 . ]" 1
610 1 49 ASP HA 1 52 LEU HB3 . . 4.900 3.974 3.602 4.327 . 0 0 "[ . 1 . ]" 1
611 1 49 ASP HA 1 52 LEU QD . . 3.600 2.899 2.253 3.414 . 0 0 "[ . 1 . ]" 1
612 1 49 ASP HA 1 52 LEU HG . . 4.660 3.829 2.837 4.705 0.045 5 0 "[ . 1 . ]" 1
613 1 49 ASP HA 1 53 ALA H . . 4.920 4.228 3.736 4.803 . 0 0 "[ . 1 . ]" 1
614 1 49 ASP HB3 1 52 LEU QD . . 5.500 5.245 4.840 5.455 . 0 0 "[ . 1 . ]" 1
615 1 49 ASP HB3 1 53 ALA MB . . 5.500 4.436 3.675 5.151 . 0 0 "[ . 1 . ]" 1
616 1 50 GLY H 1 51 ALA H . . 3.050 2.856 2.611 3.063 0.013 1 0 "[ . 1 . ]" 1
617 1 50 GLY H 1 51 ALA MB . . 4.610 4.506 4.062 4.699 0.089 12 0 "[ . 1 . ]" 1
618 1 50 GLY H 1 53 ALA H . . 5.500 4.769 4.552 5.020 . 0 0 "[ . 1 . ]" 1
619 1 50 GLY HA2 1 53 ALA H . . 4.460 3.804 3.323 4.198 . 0 0 "[ . 1 . ]" 1
620 1 50 GLY HA2 1 53 ALA MB . . 3.610 3.205 2.661 3.697 0.087 19 0 "[ . 1 . ]" 1
621 1 50 GLY HA2 1 80 TYR QE . . 4.830 2.127 1.938 2.486 . 0 0 "[ . 1 . ]" 1
622 1 50 GLY HA3 1 51 ALA H . . 3.440 2.704 2.334 3.194 . 0 0 "[ . 1 . ]" 1
623 1 50 GLY HA3 1 80 TYR QE . . 4.830 3.363 2.590 3.945 . 0 0 "[ . 1 . ]" 1
624 1 51 ALA H 1 51 ALA MB . . 3.040 2.222 2.121 2.385 . 0 0 "[ . 1 . ]" 1
625 1 51 ALA H 1 52 LEU H . . 3.610 2.607 2.117 2.906 . 0 0 "[ . 1 . ]" 1
626 1 51 ALA H 1 53 ALA H . . 5.170 4.229 3.802 4.480 . 0 0 "[ . 1 . ]" 1
627 1 51 ALA H 1 53 ALA MB . . 5.500 5.062 4.738 5.268 . 0 0 "[ . 1 . ]" 1
628 1 51 ALA H 1 54 VAL QG . . 5.500 4.514 4.011 5.002 . 0 0 "[ . 1 . ]" 1
629 1 51 ALA HA 1 53 ALA H . . 5.180 4.231 3.769 4.669 . 0 0 "[ . 1 . ]" 1
630 1 51 ALA HA 1 54 VAL H . . 4.020 3.553 3.121 3.980 . 0 0 "[ . 1 . ]" 1
631 1 51 ALA HA 1 54 VAL HB . . 3.390 2.844 2.470 3.504 0.114 13 0 "[ . 1 . ]" 1
632 1 51 ALA HA 1 54 VAL QG . . 3.910 2.995 1.781 3.639 . 0 0 "[ . 1 . ]" 1
633 1 51 ALA HA 1 55 LEU HG . . 5.500 3.968 3.201 5.529 0.029 17 0 "[ . 1 . ]" 1
634 1 51 ALA MB 1 52 LEU H . . 3.400 2.550 2.174 3.070 . 0 0 "[ . 1 . ]" 1
635 1 51 ALA MB 1 53 ALA H . . 5.480 4.502 4.315 4.674 . 0 0 "[ . 1 . ]" 1
636 1 51 ALA MB 1 54 VAL QG . . 5.340 3.999 2.874 4.474 . 0 0 "[ . 1 . ]" 1
637 1 51 ALA MB 1 55 LEU H . . 4.320 4.256 3.897 4.422 0.102 5 0 "[ . 1 . ]" 1
638 1 51 ALA MB 1 55 LEU HG . . 4.200 3.438 2.937 4.326 0.126 12 0 "[ . 1 . ]" 1
639 1 52 LEU H 1 52 LEU HB3 . . 3.710 3.562 3.500 3.628 . 0 0 "[ . 1 . ]" 1
640 1 52 LEU H 1 52 LEU QD . . 3.930 2.666 1.791 3.320 . 0 0 "[ . 1 . ]" 1
641 1 52 LEU H 1 53 ALA H . . 3.340 2.825 2.540 2.992 . 0 0 "[ . 1 . ]" 1
642 1 52 LEU HA 1 52 LEU QD . . 3.040 2.116 2.028 2.237 . 0 0 "[ . 1 . ]" 1
643 1 52 LEU HA 1 52 LEU HG . . 4.130 3.297 2.617 3.872 . 0 0 "[ . 1 . ]" 1
644 1 52 LEU HA 1 54 VAL H . . 4.260 4.283 3.560 4.344 0.084 11 0 "[ . 1 . ]" 1
645 1 52 LEU HB3 1 52 LEU QD . . 3.190 2.209 2.101 2.347 . 0 0 "[ . 1 . ]" 1
646 1 52 LEU HB3 1 53 ALA H . . 4.190 3.693 3.443 4.099 . 0 0 "[ . 1 . ]" 1
647 1 52 LEU QD 1 53 ALA H . . 5.120 4.156 3.806 4.430 . 0 0 "[ . 1 . ]" 1
648 1 53 ALA H 1 53 ALA MB . . 2.990 2.214 2.170 2.333 . 0 0 "[ . 1 . ]" 1
649 1 53 ALA H 1 54 VAL H . . 3.400 2.375 2.060 2.698 . 0 0 "[ . 1 . ]" 1
650 1 53 ALA H 1 54 VAL HA . . 5.500 5.069 4.791 5.204 . 0 0 "[ . 1 . ]" 1
651 1 53 ALA H 1 54 VAL QG . . 5.190 3.674 3.209 3.993 . 0 0 "[ . 1 . ]" 1
652 1 53 ALA H 1 55 LEU H . . 5.420 4.111 3.892 4.562 . 0 0 "[ . 1 . ]" 1
653 1 53 ALA H 1 56 GLN H . . 5.500 4.761 4.586 4.998 . 0 0 "[ . 1 . ]" 1
654 1 53 ALA HA 1 56 GLN H . . 3.940 3.837 3.329 4.011 0.071 7 0 "[ . 1 . ]" 1
655 1 53 ALA HA 1 57 GLN H . . 5.040 4.640 4.181 5.044 0.004 17 0 "[ . 1 . ]" 1
656 1 53 ALA MB 1 54 VAL H . . 3.320 2.643 2.444 3.401 0.081 17 0 "[ . 1 . ]" 1
657 1 53 ALA MB 1 54 VAL HA . . 4.820 3.832 3.648 4.254 . 0 0 "[ . 1 . ]" 1
658 1 53 ALA MB 1 54 VAL QG . . 4.530 2.794 2.481 3.535 . 0 0 "[ . 1 . ]" 1
659 1 53 ALA MB 1 56 GLN H . . 4.870 4.791 4.474 4.981 0.111 17 0 "[ . 1 . ]" 1
660 1 53 ALA MB 1 56 GLN HB3 . . 5.420 4.808 4.074 5.475 0.055 3 0 "[ . 1 . ]" 1
661 1 53 ALA MB 1 80 TYR QD . . 4.000 2.644 2.030 3.206 . 0 0 "[ . 1 . ]" 1
662 1 53 ALA MB 1 80 TYR QE . . 3.100 3.129 2.626 3.249 0.149 13 0 "[ . 1 . ]" 1
663 1 54 VAL H 1 54 VAL HB . . 3.130 2.377 2.150 2.761 . 0 0 "[ . 1 . ]" 1
664 1 54 VAL H 1 54 VAL QG . . 3.250 2.282 1.767 2.490 . 0 0 "[ . 1 . ]" 1
665 1 54 VAL H 1 56 GLN H . . 3.790 3.778 2.995 3.867 0.077 5 0 "[ . 1 . ]" 1
666 1 54 VAL H 1 80 TYR QD . . 5.500 4.925 4.011 5.424 . 0 0 "[ . 1 . ]" 1
667 1 54 VAL HA 1 56 GLN H . . 5.500 4.175 3.933 4.613 . 0 0 "[ . 1 . ]" 1
668 1 54 VAL HA 1 57 GLN H . . 4.500 3.866 3.176 4.303 . 0 0 "[ . 1 . ]" 1
669 1 54 VAL HA 1 57 GLN HG3 . . 5.330 3.898 2.187 4.650 . 0 0 "[ . 1 . ]" 1
670 1 54 VAL HA 1 58 PHE H . . 4.880 4.364 3.951 4.781 . 0 0 "[ . 1 . ]" 1
671 1 54 VAL HA 1 76 VAL QG . . 3.550 2.297 1.936 2.964 . 0 0 "[ . 1 . ]" 1
672 1 54 VAL HA 1 77 MET HA . . 5.140 4.696 4.226 5.135 . 0 0 "[ . 1 . ]" 1
673 1 54 VAL HB 1 76 VAL QG . . 4.850 3.973 3.207 4.322 . 0 0 "[ . 1 . ]" 1
674 1 54 VAL HB 1 77 MET HA . . 5.210 4.655 3.133 4.950 . 0 0 "[ . 1 . ]" 1
675 1 54 VAL QG 1 55 LEU H . . 4.300 3.082 2.192 3.530 . 0 0 "[ . 1 . ]" 1
676 1 54 VAL QG 1 55 LEU HA . . 4.620 3.558 3.048 4.014 . 0 0 "[ . 1 . ]" 1
677 1 54 VAL QG 1 55 LEU QD . . 3.790 3.213 2.556 3.697 . 0 0 "[ . 1 . ]" 1
678 1 54 VAL QG 1 55 LEU HG . . 5.070 3.695 2.516 4.367 . 0 0 "[ . 1 . ]" 1
679 1 54 VAL QG 1 58 PHE H . . 5.300 4.224 3.887 4.946 . 0 0 "[ . 1 . ]" 1
680 1 54 VAL QG 1 58 PHE HB3 . . 5.500 4.532 4.196 5.011 . 0 0 "[ . 1 . ]" 1
681 1 54 VAL QG 1 76 VAL H . . 5.500 4.315 3.985 4.755 . 0 0 "[ . 1 . ]" 1
682 1 54 VAL QG 1 76 VAL HB . . 4.510 3.701 2.310 4.412 . 0 0 "[ . 1 . ]" 1
683 1 54 VAL QG 1 76 VAL QG . . 3.510 1.905 1.744 2.080 . 0 0 "[ . 1 . ]" 1
684 1 54 VAL QG 1 77 MET H . . 3.550 2.829 2.543 3.219 . 0 0 "[ . 1 . ]" 1
685 1 54 VAL QG 1 77 MET HA . . 3.710 2.151 1.972 2.374 . 0 0 "[ . 1 . ]" 1
686 1 54 VAL QG 1 77 MET HB3 . . 3.710 2.325 1.974 3.460 . 0 0 "[ . 1 . ]" 1
687 1 54 VAL QG 1 77 MET ME . . 3.350 2.936 2.306 3.298 . 0 0 "[ . 1 . ]" 1
688 1 54 VAL QG 1 80 TYR H . . 4.710 4.007 3.452 4.397 . 0 0 "[ . 1 . ]" 1
689 1 54 VAL QG 1 80 TYR HB3 . . 4.960 3.195 2.860 3.630 . 0 0 "[ . 1 . ]" 1
690 1 54 VAL QG 1 80 TYR QD . . 3.540 2.611 2.335 2.827 . 0 0 "[ . 1 . ]" 1
691 1 54 VAL QG 1 80 TYR QE . . 4.270 2.553 2.315 3.048 . 0 0 "[ . 1 . ]" 1
692 1 55 LEU H 1 55 LEU HB3 . . 3.870 3.528 3.405 3.605 . 0 0 "[ . 1 . ]" 1
693 1 55 LEU H 1 55 LEU QD . . 4.060 2.884 1.863 3.321 . 0 0 "[ . 1 . ]" 1
694 1 55 LEU H 1 55 LEU HG . . 2.950 2.576 2.192 3.044 0.094 19 0 "[ . 1 . ]" 1
695 1 55 LEU HA 1 55 LEU QD . . 2.990 2.248 2.040 2.886 . 0 0 "[ . 1 . ]" 1
696 1 55 LEU HA 1 55 LEU HG . . 4.010 2.859 2.068 3.246 . 0 0 "[ . 1 . ]" 1
697 1 55 LEU HA 1 58 PHE H . . 3.880 3.434 3.031 3.844 . 0 0 "[ . 1 . ]" 1
698 1 55 LEU HA 1 58 PHE HB3 . . 3.790 2.542 2.117 2.922 . 0 0 "[ . 1 . ]" 1
699 1 55 LEU HA 1 58 PHE QD . . 4.690 4.068 3.163 4.630 . 0 0 "[ . 1 . ]" 1
700 1 55 LEU HA 1 73 LEU QD . . 4.680 3.215 2.751 3.621 . 0 0 "[ . 1 . ]" 1
701 1 55 LEU QD 1 58 PHE HB3 . . 4.820 3.636 2.902 4.440 . 0 0 "[ . 1 . ]" 1
702 1 55 LEU QD 1 73 LEU QD . . 3.310 2.493 1.950 3.126 . 0 0 "[ . 1 . ]" 1
703 1 56 GLN H 1 56 GLN HB3 . . 3.640 2.785 2.319 3.455 . 0 0 "[ . 1 . ]" 1
704 1 56 GLN H 1 57 GLN H . . 3.460 2.880 2.526 3.171 . 0 0 "[ . 1 . ]" 1
705 1 56 GLN H 1 58 PHE H . . 4.740 4.026 3.717 4.368 . 0 0 "[ . 1 . ]" 1
706 1 56 GLN HA 1 56 GLN HE22 . . 5.410 3.198 2.768 3.559 . 0 0 "[ . 1 . ]" 1
707 1 56 GLN HA 1 59 LYS HD3 . . 4.860 2.881 2.126 4.402 . 0 0 "[ . 1 . ]" 1
708 1 56 GLN HA 1 59 LYS HG3 . . 4.320 3.674 2.248 4.343 0.023 17 0 "[ . 1 . ]" 1
709 1 56 GLN HE21 1 57 GLN H . . 4.800 4.414 4.023 4.888 0.088 19 0 "[ . 1 . ]" 1
710 1 56 GLN HE21 1 59 LYS HD3 . . 5.410 3.758 2.420 5.483 0.073 10 0 "[ . 1 . ]" 1
711 1 56 GLN HE22 1 57 GLN H . . 5.500 5.546 4.868 5.599 0.099 12 0 "[ . 1 . ]" 1
712 1 56 GLN HE22 1 59 LYS HD3 . . 5.200 3.209 2.425 4.242 . 0 0 "[ . 1 . ]" 1
713 1 57 GLN H 1 57 GLN HG3 . . 4.010 2.846 2.079 4.011 0.001 2 0 "[ . 1 . ]" 1
714 1 57 GLN H 1 58 PHE H . . 3.510 2.887 2.603 3.072 . 0 0 "[ . 1 . ]" 1
715 1 57 GLN H 1 58 PHE HB3 . . 5.400 5.152 4.712 5.446 0.046 13 0 "[ . 1 . ]" 1
716 1 57 GLN H 1 76 VAL QG . . 5.260 3.828 3.268 4.542 . 0 0 "[ . 1 . ]" 1
717 1 57 GLN HA 1 57 GLN HE21 . . 5.500 4.529 1.930 5.560 0.060 18 0 "[ . 1 . ]" 1
718 1 57 GLN HA 1 57 GLN HG3 . . 3.570 3.495 3.044 3.656 0.086 3 0 "[ . 1 . ]" 1
719 1 57 GLN HA 1 60 ASP H . . 4.110 3.382 2.939 3.770 . 0 0 "[ . 1 . ]" 1
720 1 57 GLN HA 1 60 ASP HB3 . . 3.940 2.899 2.112 3.680 . 0 0 "[ . 1 . ]" 1
721 1 57 GLN HE21 1 76 VAL QG . . 5.310 3.277 2.218 4.570 . 0 0 "[ . 1 . ]" 1
722 1 57 GLN HE22 1 76 VAL QG . . 5.500 3.693 2.635 5.335 . 0 0 "[ . 1 . ]" 1
723 1 57 GLN HG3 1 58 PHE H . . 5.090 4.493 2.998 5.158 0.068 10 0 "[ . 1 . ]" 1
724 1 57 GLN HG3 1 76 VAL QG . . 4.650 2.851 2.011 3.468 . 0 0 "[ . 1 . ]" 1
725 1 58 PHE H 1 58 PHE HB3 . . 3.350 2.569 2.417 2.863 . 0 0 "[ . 1 . ]" 1
726 1 58 PHE H 1 58 PHE QD . . 4.640 4.186 4.119 4.248 . 0 0 "[ . 1 . ]" 1
727 1 58 PHE H 1 73 LEU QD . . 5.480 4.134 3.779 4.525 . 0 0 "[ . 1 . ]" 1
728 1 58 PHE H 1 76 VAL QG . . 4.360 3.244 2.987 3.481 . 0 0 "[ . 1 . ]" 1
729 1 58 PHE HA 1 58 PHE QD . . 3.770 2.795 2.171 3.193 . 0 0 "[ . 1 . ]" 1
730 1 58 PHE HA 1 59 LYS HG3 . . 5.500 5.528 5.428 5.774 0.274 11 0 "[ . 1 . ]" 1
731 1 58 PHE HA 1 60 ASP H . . 5.250 3.893 3.432 4.315 . 0 0 "[ . 1 . ]" 1
732 1 58 PHE HA 1 61 SER H . . 4.730 4.166 3.131 4.806 0.076 18 0 "[ . 1 . ]" 1
733 1 58 PHE HA 1 63 LEU MD2 . . 4.960 4.294 3.688 4.751 . 0 0 "[ . 1 . ]" 1
734 1 58 PHE HA 1 73 LEU QD . . 4.930 4.166 3.755 4.734 . 0 0 "[ . 1 . ]" 1
735 1 58 PHE HA 1 76 VAL QG . . 3.830 3.550 3.216 3.823 . 0 0 "[ . 1 . ]" 1
736 1 58 PHE HB3 1 59 LYS H . . 3.690 2.785 2.561 3.042 . 0 0 "[ . 1 . ]" 1
737 1 58 PHE HB3 1 60 ASP H . . 5.500 4.934 4.696 5.286 . 0 0 "[ . 1 . ]" 1
738 1 58 PHE HB3 1 73 LEU QD . . 4.770 3.211 2.797 3.761 . 0 0 "[ . 1 . ]" 1
739 1 58 PHE HB3 1 76 VAL QG . . 5.360 4.292 3.990 4.987 . 0 0 "[ . 1 . ]" 1
740 1 58 PHE QD 1 59 LYS H . . 4.430 3.796 3.081 4.489 0.059 11 0 "[ . 1 . ]" 1
741 1 58 PHE QD 1 59 LYS HA . . 5.200 3.877 3.062 4.916 . 0 0 "[ . 1 . ]" 1
742 1 58 PHE QD 1 63 LEU MD2 . . 4.290 3.892 3.443 4.387 0.097 7 0 "[ . 1 . ]" 1
743 1 58 PHE QD 1 73 LEU H . . 4.080 3.947 3.519 4.169 0.089 4 0 "[ . 1 . ]" 1
744 1 58 PHE QD 1 73 LEU QD . . 3.840 2.561 2.331 2.862 . 0 0 "[ . 1 . ]" 1
745 1 58 PHE QE 1 63 LEU MD1 . . 4.360 3.232 2.562 3.912 . 0 0 "[ . 1 . ]" 1
746 1 58 PHE QE 1 69 LYS HA . . 4.380 3.952 3.362 4.461 0.081 17 0 "[ . 1 . ]" 1
747 1 58 PHE QE 1 73 LEU H . . 4.050 3.079 2.567 3.592 . 0 0 "[ . 1 . ]" 1
748 1 58 PHE QE 1 73 LEU HB3 . . 4.660 4.057 3.775 4.617 . 0 0 "[ . 1 . ]" 1
749 1 58 PHE QE 1 73 LEU QD . . 3.720 3.189 2.766 3.420 . 0 0 "[ . 1 . ]" 1
750 1 58 PHE QE 1 73 LEU HG . . 5.500 5.332 4.766 5.597 0.097 9 0 "[ . 1 . ]" 1
751 1 58 PHE HZ 1 63 LEU MD1 . . 4.150 3.572 2.548 4.242 0.092 17 0 "[ . 1 . ]" 1
752 1 58 PHE HZ 1 63 LEU MD2 . . 4.950 3.936 3.133 5.005 0.055 8 0 "[ . 1 . ]" 1
753 1 58 PHE HZ 1 69 LYS HA . . 5.160 4.458 3.700 5.006 . 0 0 "[ . 1 . ]" 1
754 1 58 PHE HZ 1 73 LEU H . . 5.500 5.138 4.145 5.560 0.060 14 0 "[ . 1 . ]" 1
755 1 58 PHE HZ 1 73 LEU QD . . 5.500 3.877 3.290 4.684 . 0 0 "[ . 1 . ]" 1
756 1 59 LYS H 1 59 LYS HD3 . . 5.490 3.938 3.456 4.733 . 0 0 "[ . 1 . ]" 1
757 1 59 LYS H 1 59 LYS HG3 . . 4.170 2.316 2.098 2.576 . 0 0 "[ . 1 . ]" 1
758 1 59 LYS H 1 60 ASP H . . 3.550 2.644 2.360 2.838 . 0 0 "[ . 1 . ]" 1
759 1 59 LYS H 1 63 LEU MD1 . . 5.410 5.144 4.690 5.474 0.064 8 0 "[ . 1 . ]" 1
760 1 59 LYS HA 1 59 LYS HD3 . . 4.810 4.575 4.138 4.669 . 0 0 "[ . 1 . ]" 1
761 1 59 LYS HA 1 59 LYS HG3 . . 3.890 2.870 2.659 3.431 . 0 0 "[ . 1 . ]" 1
762 1 59 LYS HA 1 61 SER H . . 5.190 4.151 3.833 4.557 . 0 0 "[ . 1 . ]" 1
763 1 59 LYS HA 1 63 LEU MD1 . . 4.260 3.860 3.330 4.342 0.082 12 0 "[ . 1 . ]" 1
764 1 59 LYS HG3 1 60 ASP H . . 4.500 4.460 3.970 4.589 0.089 12 0 "[ . 1 . ]" 1
765 1 60 ASP H 1 60 ASP HB3 . . 3.250 2.709 2.305 2.978 . 0 0 "[ . 1 . ]" 1
766 1 60 ASP H 1 61 SER H . . 3.400 2.845 2.229 3.439 0.039 7 0 "[ . 1 . ]" 1
767 1 60 ASP H 1 61 SER HA . . 5.010 4.873 4.534 5.092 0.082 14 0 "[ . 1 . ]" 1
768 1 60 ASP H 1 63 LEU MD1 . . 5.500 5.095 4.084 5.576 0.076 9 0 "[ . 1 . ]" 1
769 1 60 ASP HB3 1 61 SER H . . 4.820 4.170 3.525 4.496 . 0 0 "[ . 1 . ]" 1
770 1 61 SER H 1 61 SER HB3 . . 3.850 3.625 3.114 3.901 0.051 14 0 "[ . 1 . ]" 1
771 1 61 SER H 1 62 ASP H . . 4.590 4.482 4.249 4.644 0.054 17 0 "[ . 1 . ]" 1
772 1 61 SER H 1 63 LEU H . . 5.500 4.988 4.314 5.574 0.074 10 0 "[ . 1 . ]" 1
773 1 61 SER H 1 63 LEU MD2 . . 5.500 4.600 3.878 5.142 . 0 0 "[ . 1 . ]" 1
774 1 61 SER H 1 63 LEU HG . . 5.350 3.780 3.288 4.201 . 0 0 "[ . 1 . ]" 1
775 1 61 SER HA 1 62 ASP H . . 3.110 2.347 2.092 2.522 . 0 0 "[ . 1 . ]" 1
776 1 61 SER HA 1 62 ASP HB3 . . 4.610 4.702 4.433 5.125 0.515 18 1 "[ . 1 . + ]" 1
777 1 61 SER HB3 1 62 ASP H . . 3.620 2.727 2.167 3.712 0.092 6 0 "[ . 1 . ]" 1
778 1 61 SER HB3 1 63 LEU MD1 . . 4.400 4.314 3.802 4.897 0.497 6 0 "[ . 1 . ]" 1
779 1 61 SER HB3 1 63 LEU MD2 . . 4.090 3.263 2.285 4.546 0.456 4 0 "[ . 1 . ]" 1
780 1 61 SER HB3 1 63 LEU HG . . 4.930 3.613 2.894 4.759 . 0 0 "[ . 1 . ]" 1
781 1 61 SER HB3 1 72 PHE QE . . 4.690 2.906 2.293 3.512 . 0 0 "[ . 1 . ]" 1
782 1 61 SER HB3 1 72 PHE HZ . . 3.910 3.154 2.188 4.736 0.826 7 2 "[ -. + 1 . ]" 1
783 1 62 ASP H 1 62 ASP HB3 . . 3.400 2.462 2.147 3.036 . 0 0 "[ . 1 . ]" 1
784 1 62 ASP H 1 63 LEU H . . 4.190 4.002 3.455 4.270 0.080 15 0 "[ . 1 . ]" 1
785 1 62 ASP H 1 63 LEU MD2 . . 5.160 4.258 3.345 5.127 . 0 0 "[ . 1 . ]" 1
786 1 62 ASP H 1 72 PHE QE . . 4.810 3.687 2.633 4.899 0.089 14 0 "[ . 1 . ]" 1
787 1 62 ASP HA 1 63 LEU H . . 2.840 2.287 2.087 2.716 . 0 0 "[ . 1 . ]" 1
788 1 62 ASP HA 1 63 LEU HA . . 4.670 4.501 4.387 4.671 0.001 2 0 "[ . 1 . ]" 1
789 1 62 ASP HA 1 63 LEU MD1 . . 5.500 5.406 5.007 5.599 0.099 16 0 "[ . 1 . ]" 1
790 1 62 ASP HA 1 63 LEU HG . . 4.490 4.272 4.012 4.578 0.088 17 0 "[ . 1 . ]" 1
791 1 62 ASP HA 1 64 SER H . . 4.060 3.518 3.198 4.120 0.060 10 0 "[ . 1 . ]" 1
792 1 62 ASP HB3 1 63 LEU H . . 4.640 4.493 4.261 4.603 . 0 0 "[ . 1 . ]" 1
793 1 63 LEU H 1 63 LEU HB3 . . 4.100 3.700 3.580 3.866 . 0 0 "[ . 1 . ]" 1
794 1 63 LEU H 1 63 LEU MD1 . . 4.000 3.821 3.423 4.082 0.082 18 0 "[ . 1 . ]" 1
795 1 63 LEU H 1 63 LEU MD2 . . 4.190 3.672 3.258 3.989 . 0 0 "[ . 1 . ]" 1
796 1 63 LEU H 1 63 LEU HG . . 3.310 2.683 2.127 2.963 . 0 0 "[ . 1 . ]" 1
797 1 63 LEU HA 1 63 LEU MD1 . . 4.640 3.864 3.773 3.935 . 0 0 "[ . 1 . ]" 1
798 1 63 LEU HA 1 63 LEU MD2 . . 3.030 2.155 2.072 2.475 . 0 0 "[ . 1 . ]" 1
799 1 63 LEU HA 1 63 LEU HG . . 4.260 3.099 2.751 3.538 . 0 0 "[ . 1 . ]" 1
800 1 63 LEU HA 1 66 VAL H . . 4.310 3.678 3.248 4.384 0.074 12 0 "[ . 1 . ]" 1
801 1 63 LEU HA 1 66 VAL QG . . 2.970 2.239 1.930 2.973 0.003 17 0 "[ . 1 . ]" 1
802 1 63 LEU HB3 1 66 VAL H . . 5.500 4.892 4.251 5.372 . 0 0 "[ . 1 . ]" 1
803 1 63 LEU HB3 1 66 VAL HB . . 4.980 4.649 3.354 5.066 0.086 5 0 "[ . 1 . ]" 1
804 1 63 LEU MD1 1 66 VAL QG . . 4.870 3.895 3.463 4.710 . 0 0 "[ . 1 . ]" 1
805 1 63 LEU MD1 1 69 LYS HG3 . . 5.500 4.065 2.544 5.605 0.105 15 0 "[ . 1 . ]" 1
806 1 63 LEU MD1 1 72 PHE QE . . 5.270 5.207 4.691 5.392 0.122 16 0 "[ . 1 . ]" 1
807 1 63 LEU MD2 1 64 SER H . . 5.500 4.638 4.115 4.914 . 0 0 "[ . 1 . ]" 1
808 1 63 LEU MD2 1 66 VAL H . . 5.410 4.727 4.342 5.477 0.067 6 0 "[ . 1 . ]" 1
809 1 63 LEU MD2 1 66 VAL HB . . 4.400 3.386 2.924 4.037 . 0 0 "[ . 1 . ]" 1
810 1 63 LEU MD2 1 66 VAL QG . . 3.710 2.197 2.016 2.841 . 0 0 "[ . 1 . ]" 1
811 1 63 LEU MD2 1 69 LYS HG3 . . 5.250 3.327 2.203 5.573 0.323 15 0 "[ . 1 . ]" 1
812 1 63 LEU MD2 1 72 PHE QD . . 3.530 2.690 2.145 3.606 0.076 2 0 "[ . 1 . ]" 1
813 1 63 LEU MD2 1 72 PHE QE . . 3.970 3.116 2.773 4.024 0.054 4 0 "[ . 1 . ]" 1
814 1 63 LEU MD2 1 72 PHE HZ . . 4.840 4.223 3.635 4.884 0.044 4 0 "[ . 1 . ]" 1
815 1 64 SER H 1 64 SER HB3 . . 3.830 3.135 2.231 3.790 . 0 0 "[ . 1 . ]" 1
816 1 64 SER H 1 66 VAL H . . 5.240 4.193 3.070 5.006 . 0 0 "[ . 1 . ]" 1
817 1 64 SER H 1 66 VAL QG . . 5.500 3.855 2.984 4.856 . 0 0 "[ . 1 . ]" 1
818 1 65 HIS H 1 65 HIS HB3 . . 4.160 3.073 2.506 3.890 . 0 0 "[ . 1 . ]" 1
819 1 65 HIS H 1 66 VAL H . . 3.330 2.493 1.900 3.112 . 0 0 "[ . 1 . ]" 1
820 1 65 HIS H 1 66 VAL HB . . 4.960 4.247 3.756 5.042 0.082 17 0 "[ . 1 . ]" 1
821 1 65 HIS H 1 66 VAL QG . . 4.930 3.334 2.776 4.133 . 0 0 "[ . 1 . ]" 1
822 1 65 HIS HA 1 66 VAL HB . . 5.500 5.324 4.748 5.580 0.080 13 0 "[ . 1 . ]" 1
823 1 65 HIS HA 1 66 VAL QG . . 4.620 4.296 3.790 4.539 . 0 0 "[ . 1 . ]" 1
824 1 65 HIS HB3 1 66 VAL H . . 4.760 4.303 3.654 4.642 . 0 0 "[ . 1 . ]" 1
825 1 66 VAL H 1 66 VAL HB . . 3.200 2.600 2.153 3.245 0.045 5 0 "[ . 1 . ]" 1
826 1 66 VAL H 1 66 VAL QG . . 3.460 2.075 1.693 2.424 . 0 0 "[ . 1 . ]" 1
827 1 66 VAL H 1 67 GLN H . . 5.040 4.498 4.169 4.690 . 0 0 "[ . 1 . ]" 1
828 1 66 VAL HA 1 67 GLN H . . 3.330 2.221 2.085 2.464 . 0 0 "[ . 1 . ]" 1
829 1 66 VAL HA 1 67 GLN HA . . 4.410 4.438 4.349 4.480 0.070 16 0 "[ . 1 . ]" 1
830 1 66 VAL HB 1 72 PHE QD . . 5.420 3.531 2.171 5.151 . 0 0 "[ . 1 . ]" 1
831 1 66 VAL QG 1 67 GLN H . . 4.300 2.678 1.982 3.248 . 0 0 "[ . 1 . ]" 1
832 1 66 VAL QG 1 67 GLN HA . . 4.780 3.912 3.488 4.234 . 0 0 "[ . 1 . ]" 1
833 1 66 VAL QG 1 68 ASN H . . 4.370 2.378 1.955 3.165 . 0 0 "[ . 1 . ]" 1
834 1 66 VAL QG 1 68 ASN HA . . 5.240 3.797 3.358 4.185 . 0 0 "[ . 1 . ]" 1
835 1 66 VAL QG 1 69 LYS H . . 4.920 3.204 2.801 3.575 . 0 0 "[ . 1 . ]" 1
836 1 66 VAL QG 1 69 LYS HA . . 3.590 2.440 2.018 2.917 . 0 0 "[ . 1 . ]" 1
837 1 66 VAL QG 1 69 LYS HG3 . . 4.320 3.012 2.016 3.863 . 0 0 "[ . 1 . ]" 1
838 1 66 VAL QG 1 72 PHE H . . 4.200 3.754 3.123 4.131 . 0 0 "[ . 1 . ]" 1
839 1 66 VAL QG 1 72 PHE HA . . 4.960 4.542 3.839 4.912 . 0 0 "[ . 1 . ]" 1
840 1 66 VAL QG 1 72 PHE QD . . 3.360 2.152 1.863 2.645 . 0 0 "[ . 1 . ]" 1
841 1 66 VAL QG 1 72 PHE QE . . 4.510 3.191 2.582 3.922 . 0 0 "[ . 1 . ]" 1
842 1 67 GLN H 1 68 ASN H . . 4.580 2.624 2.198 3.014 . 0 0 "[ . 1 . ]" 1
843 1 68 ASN H 1 69 LYS HA . . 5.500 4.677 4.383 5.340 . 0 0 "[ . 1 . ]" 1
844 1 68 ASN H 1 71 ALA MB . . 5.500 4.244 3.643 4.597 . 0 0 "[ . 1 . ]" 1
845 1 68 ASN HA 1 69 LYS H . . 3.200 2.254 2.166 2.361 . 0 0 "[ . 1 . ]" 1
846 1 68 ASN HA 1 70 SER H . . 4.400 3.652 3.251 4.001 . 0 0 "[ . 1 . ]" 1
847 1 68 ASN HA 1 71 ALA H . . 4.830 4.429 3.984 4.836 0.006 7 0 "[ . 1 . ]" 1
848 1 68 ASN HA 1 71 ALA MB . . 4.950 4.683 4.332 5.014 0.064 7 0 "[ . 1 . ]" 1
849 1 68 ASN HB3 1 69 LYS H . . 5.170 4.487 4.329 4.587 . 0 0 "[ . 1 . ]" 1
850 1 68 ASN HB3 1 71 ALA H . . 4.690 3.598 3.135 4.603 . 0 0 "[ . 1 . ]" 1
851 1 68 ASN HB3 1 71 ALA MB . . 3.540 2.794 2.349 4.164 0.624 7 3 "[- .*+ 1 . ]" 1
852 1 68 ASN HD21 1 71 ALA H . . 4.460 3.543 1.661 4.377 . 0 0 "[ . 1 . ]" 1
853 1 68 ASN HD21 1 71 ALA HA . . 5.500 4.862 3.462 5.555 0.055 9 0 "[ . 1 . ]" 1
854 1 68 ASN HD21 1 71 ALA MB . . 4.490 2.732 1.864 3.901 . 0 0 "[ . 1 . ]" 1
855 1 68 ASN HD22 1 70 SER H . . 5.500 4.512 3.343 6.454 0.954 1 2 "[+ .- 1 . ]" 1
856 1 68 ASN HD22 1 71 ALA H . . 4.680 3.459 2.854 4.511 . 0 0 "[ . 1 . ]" 1
857 1 68 ASN HD22 1 71 ALA HA . . 5.500 4.700 3.819 5.413 . 0 0 "[ . 1 . ]" 1
858 1 68 ASN HD22 1 71 ALA MB . . 4.180 3.055 2.165 4.263 0.083 9 0 "[ . 1 . ]" 1
859 1 69 LYS H 1 69 LYS HG3 . . 4.520 3.580 2.199 4.477 . 0 0 "[ . 1 . ]" 1
860 1 69 LYS H 1 70 SER H . . 3.520 2.873 2.545 3.169 . 0 0 "[ . 1 . ]" 1
861 1 69 LYS H 1 71 ALA H . . 5.010 4.521 4.295 4.907 . 0 0 "[ . 1 . ]" 1
862 1 69 LYS HA 1 69 LYS HG3 . . 3.850 2.788 2.157 3.761 . 0 0 "[ . 1 . ]" 1
863 1 70 SER H 1 70 SER HB3 . . 3.430 2.617 2.092 3.510 0.080 11 0 "[ . 1 . ]" 1
864 1 70 SER H 1 71 ALA H . . 3.220 2.761 2.496 2.981 . 0 0 "[ . 1 . ]" 1
865 1 70 SER H 1 71 ALA MB . . 4.470 4.423 4.099 4.561 0.091 10 0 "[ . 1 . ]" 1
866 1 70 SER HB3 1 71 ALA H . . 3.770 3.792 2.469 4.230 0.460 5 0 "[ . 1 . ]" 1
867 1 71 ALA H 1 71 ALA MB . . 2.870 2.236 2.111 2.372 . 0 0 "[ . 1 . ]" 1
868 1 71 ALA H 1 74 CYS H . . 5.500 4.788 4.455 5.038 . 0 0 "[ . 1 . ]" 1
869 1 71 ALA HA 1 73 LEU H . . 5.040 4.287 3.649 4.747 . 0 0 "[ . 1 . ]" 1
870 1 71 ALA HA 1 74 CYS H . . 4.270 3.359 2.628 3.920 . 0 0 "[ . 1 . ]" 1
871 1 71 ALA HA 1 74 CYS HB3 . . 3.850 2.962 2.443 3.925 0.075 9 0 "[ . 1 . ]" 1
872 1 71 ALA HA 1 75 GLY H . . 4.710 4.277 3.798 4.777 0.067 8 0 "[ . 1 . ]" 1
873 1 71 ALA MB 1 72 PHE H . . 3.680 2.795 2.463 3.221 . 0 0 "[ . 1 . ]" 1
874 1 71 ALA MB 1 72 PHE HA . . 5.040 3.995 3.760 4.311 . 0 0 "[ . 1 . ]" 1
875 1 72 PHE H 1 72 PHE QD . . 4.700 3.987 3.587 4.241 . 0 0 "[ . 1 . ]" 1
876 1 72 PHE H 1 73 LEU H . . 3.620 2.689 2.315 2.986 . 0 0 "[ . 1 . ]" 1
877 1 72 PHE H 1 73 LEU HB3 . . 4.990 4.927 4.428 5.179 0.189 7 0 "[ . 1 . ]" 1
878 1 72 PHE H 1 74 CYS H . . 4.390 4.113 3.774 4.356 . 0 0 "[ . 1 . ]" 1
879 1 72 PHE HA 1 72 PHE QD . . 3.700 2.770 2.314 3.183 . 0 0 "[ . 1 . ]" 1
880 1 72 PHE HA 1 75 GLY H . . 4.200 3.629 3.266 3.941 . 0 0 "[ . 1 . ]" 1
881 1 72 PHE HA 1 75 GLY HA3 . . 4.860 4.000 3.410 4.885 0.025 19 0 "[ . 1 . ]" 1
882 1 72 PHE HA 1 76 VAL H . . 4.770 4.492 3.953 4.838 0.068 19 0 "[ . 1 . ]" 1
883 1 73 LEU H 1 73 LEU HB3 . . 3.470 2.478 2.361 2.634 . 0 0 "[ . 1 . ]" 1
884 1 73 LEU H 1 73 LEU QD . . 4.210 3.675 3.608 3.809 . 0 0 "[ . 1 . ]" 1
885 1 73 LEU H 1 73 LEU HG . . 4.880 4.475 4.410 4.549 . 0 0 "[ . 1 . ]" 1
886 1 73 LEU H 1 75 GLY H . . 5.480 3.987 3.458 4.433 . 0 0 "[ . 1 . ]" 1
887 1 73 LEU H 1 76 VAL H . . 5.430 5.057 4.710 5.463 0.033 17 0 "[ . 1 . ]" 1
888 1 73 LEU HA 1 73 LEU QD . . 3.200 2.114 2.019 2.202 . 0 0 "[ . 1 . ]" 1
889 1 73 LEU HA 1 73 LEU HG . . 3.900 3.222 2.787 3.777 . 0 0 "[ . 1 . ]" 1
890 1 73 LEU HA 1 76 VAL H . . 3.800 3.483 2.969 3.845 0.045 3 0 "[ . 1 . ]" 1
891 1 73 LEU HA 1 76 VAL QG . . 3.520 2.450 2.070 3.468 . 0 0 "[ . 1 . ]" 1
892 1 73 LEU HB3 1 74 CYS H . . 4.310 2.699 2.289 3.141 . 0 0 "[ . 1 . ]" 1
893 1 73 LEU QD 1 74 CYS H . . 5.330 4.020 3.302 4.311 . 0 0 "[ . 1 . ]" 1
894 1 73 LEU QD 1 74 CYS HA . . 5.500 4.416 2.996 4.893 . 0 0 "[ . 1 . ]" 1
895 1 73 LEU QD 1 76 VAL H . . 5.500 4.381 3.689 4.746 . 0 0 "[ . 1 . ]" 1
896 1 73 LEU QD 1 76 VAL QG . . 4.440 2.547 2.136 3.418 . 0 0 "[ . 1 . ]" 1
897 1 73 LEU QD 1 77 MET ME . . 3.760 2.806 1.816 3.459 . 0 0 "[ . 1 . ]" 1
898 1 73 LEU HG 1 74 CYS HA . . 4.980 4.340 3.795 5.059 0.079 12 0 "[ . 1 . ]" 1
899 1 73 LEU HG 1 77 MET H . . 5.500 4.731 4.196 5.594 0.094 16 0 "[ . 1 . ]" 1
900 1 73 LEU HG 1 77 MET HB3 . . 5.000 4.322 3.581 5.943 0.943 18 2 "[ . - 1 . + ]" 1
901 1 73 LEU HG 1 77 MET ME . . 3.060 2.440 2.053 3.113 0.053 16 0 "[ . 1 . ]" 1
902 1 74 CYS H 1 74 CYS HB3 . . 3.830 2.714 2.231 3.597 . 0 0 "[ . 1 . ]" 1
903 1 74 CYS H 1 75 GLY H . . 3.750 2.693 2.543 2.863 . 0 0 "[ . 1 . ]" 1
904 1 74 CYS H 1 75 GLY HA2 . . 5.500 5.326 5.213 5.477 . 0 0 "[ . 1 . ]" 1
905 1 74 CYS H 1 77 MET ME . . 4.490 4.081 3.620 4.468 . 0 0 "[ . 1 . ]" 1
906 1 74 CYS HA 1 77 MET H . . 3.850 3.748 3.372 3.920 0.070 11 0 "[ . 1 . ]" 1
907 1 74 CYS HA 1 77 MET HB3 . . 4.700 4.134 3.859 4.490 . 0 0 "[ . 1 . ]" 1
908 1 74 CYS HA 1 77 MET ME . . 2.920 2.696 1.953 3.020 0.100 7 0 "[ . 1 . ]" 1
909 1 74 CYS HA 1 77 MET HG3 . . 4.020 3.524 3.001 3.927 . 0 0 "[ . 1 . ]" 1
910 1 74 CYS HB3 1 75 GLY H . . 4.390 3.371 2.518 4.193 . 0 0 "[ . 1 . ]" 1
911 1 74 CYS HB3 1 77 MET ME . . 5.500 4.814 4.153 5.357 . 0 0 "[ . 1 . ]" 1
912 1 75 GLY H 1 76 VAL H . . 3.480 2.755 2.483 3.062 . 0 0 "[ . 1 . ]" 1
913 1 75 GLY H 1 76 VAL QG . . 4.640 3.944 3.505 4.419 . 0 0 "[ . 1 . ]" 1
914 1 75 GLY H 1 77 MET ME . . 5.360 5.229 4.877 5.462 0.102 16 0 "[ . 1 . ]" 1
915 1 75 GLY HA2 1 78 LYS H . . 4.070 3.804 3.479 4.136 0.066 13 0 "[ . 1 . ]" 1
916 1 75 GLY HA3 1 76 VAL H . . 3.550 2.699 2.513 3.372 . 0 0 "[ . 1 . ]" 1
917 1 76 VAL H 1 76 VAL HB . . 3.200 2.673 2.379 3.269 0.069 7 0 "[ . 1 . ]" 1
918 1 76 VAL H 1 76 VAL QG . . 3.100 2.088 1.942 2.258 . 0 0 "[ . 1 . ]" 1
919 1 76 VAL H 1 77 MET ME . . 5.500 5.505 4.952 5.592 0.092 8 0 "[ . 1 . ]" 1
920 1 76 VAL HA 1 76 VAL QG . . 3.160 2.301 2.126 2.424 . 0 0 "[ . 1 . ]" 1
921 1 76 VAL HA 1 79 THR H . . 4.360 3.340 2.963 3.925 . 0 0 "[ . 1 . ]" 1
922 1 76 VAL HA 1 79 THR HB . . 3.960 2.698 2.152 3.404 . 0 0 "[ . 1 . ]" 1
923 1 76 VAL HA 1 79 THR MG . . 4.520 4.035 3.590 4.618 0.098 7 0 "[ . 1 . ]" 1
924 1 76 VAL QG 1 77 MET H . . 4.530 2.601 2.184 3.453 . 0 0 "[ . 1 . ]" 1
925 1 76 VAL QG 1 77 MET HA . . 4.060 3.331 3.077 3.527 . 0 0 "[ . 1 . ]" 1
926 1 76 VAL QG 1 79 THR H . . 5.500 4.146 3.686 4.547 . 0 0 "[ . 1 . ]" 1
927 1 76 VAL QG 1 80 TYR H . . 5.500 3.448 2.923 3.981 . 0 0 "[ . 1 . ]" 1
928 1 76 VAL QG 1 80 TYR HB3 . . 5.180 2.988 2.375 3.611 . 0 0 "[ . 1 . ]" 1
929 1 76 VAL QG 1 80 TYR QD . . 4.770 3.612 3.403 3.937 . 0 0 "[ . 1 . ]" 1
930 1 76 VAL QG 1 80 TYR QE . . 5.210 4.816 4.444 5.163 . 0 0 "[ . 1 . ]" 1
931 1 77 MET H 1 77 MET HB3 . . 3.620 2.622 2.368 3.661 0.041 18 0 "[ . 1 . ]" 1
932 1 77 MET H 1 77 MET ME . . 4.660 3.705 3.370 4.130 . 0 0 "[ . 1 . ]" 1
933 1 77 MET H 1 77 MET HG3 . . 3.820 3.387 2.366 3.631 . 0 0 "[ . 1 . ]" 1
934 1 77 MET HA 1 77 MET HG3 . . 3.830 3.575 2.985 3.679 . 0 0 "[ . 1 . ]" 1
935 1 77 MET HA 1 80 TYR H . . 4.000 3.853 3.370 4.064 0.064 1 0 "[ . 1 . ]" 1
936 1 77 MET HA 1 80 TYR HB3 . . 4.220 4.167 3.904 4.288 0.068 17 0 "[ . 1 . ]" 1
937 1 77 MET HA 1 80 TYR QD . . 4.210 2.121 2.021 2.236 . 0 0 "[ . 1 . ]" 1
938 1 77 MET HA 1 80 TYR QE . . 3.650 2.489 2.270 2.915 . 0 0 "[ . 1 . ]" 1
939 1 77 MET HB3 1 77 MET ME . . 3.700 2.412 2.036 4.063 0.363 8 0 "[ . 1 . ]" 1
940 1 77 MET HB3 1 81 ARG HE . . 4.950 4.738 1.933 5.362 0.412 13 0 "[ . 1 . ]" 1
941 1 77 MET HG3 1 78 LYS H . . 4.340 3.210 2.636 4.421 0.081 18 0 "[ . 1 . ]" 1
942 1 77 MET HG3 1 81 ARG HE . . 5.490 4.076 3.613 5.396 . 0 0 "[ . 1 . ]" 1
943 1 78 LYS H 1 79 THR H . . 3.540 2.410 2.043 2.991 . 0 0 "[ . 1 . ]" 1
944 1 78 LYS H 1 80 TYR H . . 4.950 4.325 3.847 4.863 . 0 0 "[ . 1 . ]" 1
945 1 78 LYS HA 1 81 ARG HD3 . . 4.580 4.899 3.808 6.059 1.479 7 7 "[ *- .*+ 1 ** *]" 1
946 1 79 THR H 1 79 THR HB . . 3.320 2.493 2.237 2.788 . 0 0 "[ . 1 . ]" 1
947 1 79 THR H 1 79 THR MG . . 3.950 3.763 3.663 3.923 . 0 0 "[ . 1 . ]" 1
948 1 79 THR H 1 80 TYR HB3 . . 4.890 4.663 4.116 4.981 0.091 6 0 "[ . 1 . ]" 1
949 1 79 THR HA 1 79 THR MG . . 3.180 2.416 2.313 2.690 . 0 0 "[ . 1 . ]" 1
950 1 79 THR HA 1 82 GLN H . . 4.360 3.957 3.411 4.403 0.043 2 0 "[ . 1 . ]" 1
951 1 79 THR HA 1 82 GLN HE21 . . 5.500 4.355 2.257 5.583 0.083 17 0 "[ . 1 . ]" 1
952 1 79 THR HB 1 80 TYR H . . 3.750 2.474 1.976 3.326 . 0 0 "[ . 1 . ]" 1
953 1 79 THR MG 1 80 TYR H . . 4.220 3.355 2.929 3.935 . 0 0 "[ . 1 . ]" 1
954 1 79 THR MG 1 82 GLN H . . 5.500 4.471 4.249 4.789 . 0 0 "[ . 1 . ]" 1
955 1 79 THR MG 1 83 ARG H . . 5.500 5.229 4.002 5.605 0.105 9 0 "[ . 1 . ]" 1
956 1 80 TYR H 1 80 TYR HB3 . . 3.150 2.201 2.104 2.274 . 0 0 "[ . 1 . ]" 1
957 1 80 TYR H 1 80 TYR QD . . 3.510 2.379 1.987 2.563 . 0 0 "[ . 1 . ]" 1
958 1 80 TYR HA 1 80 TYR QD . . 3.790 3.706 3.644 3.741 . 0 0 "[ . 1 . ]" 1
959 1 80 TYR HB3 1 81 ARG H . . 3.940 3.844 3.645 4.010 0.070 2 0 "[ . 1 . ]" 1
960 1 80 TYR QD 1 81 ARG H . . 4.720 2.651 2.304 3.008 . 0 0 "[ . 1 . ]" 1
961 1 80 TYR QD 1 81 ARG HA . . 4.440 3.996 3.650 4.188 . 0 0 "[ . 1 . ]" 1
962 1 80 TYR QD 1 81 ARG HG3 . . 4.250 3.158 2.705 3.902 . 0 0 "[ . 1 . ]" 1
963 1 80 TYR QE 1 84 GLU HG3 . . 5.500 3.951 2.254 5.579 0.079 9 0 "[ . 1 . ]" 1
964 1 81 ARG H 1 81 ARG HD3 . . 4.830 4.780 4.503 5.350 0.520 6 2 "[ .+- 1 . ]" 1
965 1 81 ARG H 1 81 ARG HE . . 5.500 4.391 3.868 4.850 . 0 0 "[ . 1 . ]" 1
966 1 81 ARG H 1 81 ARG HG3 . . 4.040 2.230 1.788 3.099 . 0 0 "[ . 1 . ]" 1
967 1 81 ARG H 1 82 GLN H . . 3.410 2.923 2.745 3.233 . 0 0 "[ . 1 . ]" 1
968 1 81 ARG H 1 83 ARG H . . 4.790 4.597 4.352 4.829 0.039 13 0 "[ . 1 . ]" 1
969 1 81 ARG HA 1 81 ARG HE . . 5.500 5.344 4.622 5.575 0.075 14 0 "[ . 1 . ]" 1
970 1 81 ARG HA 1 81 ARG HG3 . . 3.380 3.039 2.537 3.429 0.049 3 0 "[ . 1 . ]" 1
971 1 81 ARG HB3 1 81 ARG HD3 . . 4.020 2.707 2.394 3.514 . 0 0 "[ . 1 . ]" 1
972 1 81 ARG HG3 1 82 GLN H . . 5.500 4.638 4.101 5.296 . 0 0 "[ . 1 . ]" 1
973 1 82 GLN H 1 82 GLN HA . . 2.920 2.827 2.736 2.935 0.015 13 0 "[ . 1 . ]" 1
974 1 82 GLN H 1 82 GLN HG3 . . 4.130 3.352 2.003 4.188 0.058 15 0 "[ . 1 . ]" 1
975 1 82 GLN HG3 1 83 ARG H . . 3.750 3.080 2.116 4.710 0.960 3 1 "[ + . 1 . ]" 1
976 1 83 ARG H 1 84 GLU H . . 3.490 2.638 2.107 2.792 . 0 0 "[ . 1 . ]" 1
977 1 84 GLU H 1 84 GLU HG3 . . 3.880 3.293 2.246 3.937 0.057 2 0 "[ . 1 . ]" 1
978 1 84 GLU H 1 85 LYS H . . 3.560 2.648 1.970 3.199 . 0 0 "[ . 1 . ]" 1
979 1 84 GLU HA 1 84 GLU HG3 . . 3.780 3.619 2.959 3.800 0.020 14 0 "[ . 1 . ]" 1
980 1 86 GLN HA 1 88 THR H . . 3.630 3.651 3.425 3.711 0.081 12 0 "[ . 1 . ]" 1
981 1 87 GLY H 1 88 THR H . . 3.560 2.165 1.637 2.815 . 0 0 "[ . 1 . ]" 1
982 1 87 GLY H 1 88 THR HB . . 3.740 3.772 3.457 3.824 0.084 4 0 "[ . 1 . ]" 1
983 1 87 GLY QA 1 88 THR H . . 3.250 2.865 2.618 3.053 . 0 0 "[ . 1 . ]" 1
984 1 87 GLY QA 1 88 THR MG . . 5.500 4.629 3.955 5.297 . 0 0 "[ . 1 . ]" 1
985 1 88 THR H 1 88 THR HB . . 3.760 2.948 2.121 3.438 . 0 0 "[ . 1 . ]" 1
986 1 88 THR H 1 88 THR MG . . 4.570 3.098 1.944 3.991 . 0 0 "[ . 1 . ]" 1
987 1 88 THR H 1 89 LYS H . . 4.160 4.172 3.860 4.250 0.090 4 0 "[ . 1 . ]" 1
988 1 88 THR HA 1 88 THR MG . . 3.440 2.930 2.308 3.303 . 0 0 "[ . 1 . ]" 1
989 1 88 THR HA 1 89 LYS H . . 3.060 2.351 2.002 2.798 . 0 0 "[ . 1 . ]" 1
990 1 88 THR HB 1 89 LYS H . . 4.230 3.995 3.453 4.316 0.086 7 0 "[ . 1 . ]" 1
991 1 88 THR MG 1 89 LYS H . . 5.020 3.008 2.149 4.232 . 0 0 "[ . 1 . ]" 1
992 1 88 THR MG 1 90 VAL H . . 5.500 4.646 2.638 5.290 . 0 0 "[ . 1 . ]" 1
993 1 89 LYS H 1 89 LYS HB3 . . 3.960 3.345 2.505 3.934 . 0 0 "[ . 1 . ]" 1
994 1 89 LYS HA 1 90 VAL H . . 2.860 2.406 2.113 2.906 0.046 19 0 "[ . 1 . ]" 1
995 1 89 LYS HB3 1 90 VAL H . . 4.280 3.376 2.028 4.571 0.291 19 0 "[ . 1 . ]" 1
996 1 89 LYS HB3 1 91 ALA MB . . 4.960 4.283 2.709 5.923 0.963 6 2 "[ .+ 1 - ]" 1
997 1 90 VAL H 1 90 VAL HB . . 3.670 3.476 2.446 3.754 0.084 16 0 "[ . 1 . ]" 1
998 1 90 VAL H 1 90 VAL QG . . 4.020 2.377 1.920 3.073 . 0 0 "[ . 1 . ]" 1
999 1 90 VAL H 1 91 ALA H . . 3.610 3.452 2.526 3.700 0.090 3 0 "[ . 1 . ]" 1
1000 1 90 VAL H 1 91 ALA MB . . 5.430 3.995 3.214 4.790 . 0 0 "[ . 1 . ]" 1
1001 1 90 VAL HA 1 91 ALA H . . 2.920 2.310 1.978 2.965 0.045 18 0 "[ . 1 . ]" 1
1002 1 90 VAL HA 1 91 ALA MB . . 5.500 4.163 3.763 4.687 . 0 0 "[ . 1 . ]" 1
1003 1 90 VAL HB 1 91 ALA H . . 4.350 4.280 4.005 4.431 0.081 12 0 "[ . 1 . ]" 1
1004 1 90 VAL QG 1 91 ALA H . . 4.440 3.550 2.865 3.833 . 0 0 "[ . 1 . ]" 1
1005 1 91 ALA H 1 91 ALA MB . . 3.570 2.420 2.155 2.891 . 0 0 "[ . 1 . ]" 1
1006 1 91 ALA HA 1 92 ASP H . . 3.120 2.572 2.232 3.211 0.091 2 0 "[ . 1 . ]" 1
1007 1 92 ASP HA 1 93 SER H . . 3.430 2.395 2.143 3.424 . 0 0 "[ . 1 . ]" 1
1008 1 92 ASP HB3 1 93 SER H . . 3.840 3.712 3.029 4.298 0.458 7 0 "[ . 1 . ]" 1
1009 1 93 SER H 1 93 SER HB3 . . 4.070 3.617 2.969 4.118 0.048 5 0 "[ . 1 . ]" 1
1010 1 93 SER HA 1 94 SER H . . 3.450 2.371 2.215 2.762 . 0 0 "[ . 1 . ]" 1
1011 1 93 SER HB3 1 94 SER H . . 4.350 3.771 2.950 4.435 0.085 4 0 "[ . 1 . ]" 1
1012 1 94 SER H 1 95 LYS H . . 3.680 3.480 1.846 3.774 0.094 15 0 "[ . 1 . ]" 1
1013 1 94 SER HA 1 95 LYS H . . 3.240 2.288 2.004 3.317 0.077 7 0 "[ . 1 . ]" 1
1014 1 95 LYS H 1 95 LYS HB3 . . 3.940 3.483 2.485 3.971 0.031 10 0 "[ . 1 . ]" 1
1015 1 95 LYS H 1 95 LYS HG3 . . 4.370 3.828 2.843 5.109 0.739 12 1 "[ . 1 + . ]" 1
1016 1 95 LYS HA 1 95 LYS HG3 . . 3.900 3.218 2.285 3.920 0.020 4 0 "[ . 1 . ]" 1
1017 1 97 PRO HA 1 98 ASP H . . 3.230 2.362 2.158 2.616 . 0 0 "[ . 1 . ]" 1
1018 1 98 ASP H 1 98 ASP HB3 . . 3.830 3.497 2.874 3.886 0.056 12 0 "[ . 1 . ]" 1
1019 1 98 ASP H 1 99 GLU HB3 . . 4.130 4.612 3.555 5.414 1.284 13 8 "[ . *** +*.* *-]" 1
1020 1 98 ASP HA 1 99 GLU H . . 3.400 2.390 2.183 3.023 . 0 0 "[ . 1 . ]" 1
1021 1 99 GLU HA 1 99 GLU HB3 . . 2.930 2.832 2.353 3.061 0.131 8 0 "[ . 1 . ]" 1
1022 1 100 ALA H 1 100 ALA MB . . 3.370 2.642 2.308 2.874 . 0 0 "[ . 1 . ]" 1
1023 1 100 ALA H 1 101 LYS H . . 3.890 3.303 1.844 3.972 0.082 9 0 "[ . 1 . ]" 1
1024 1 101 LYS H 1 101 LYS HG3 . . 4.040 3.110 2.244 4.002 . 0 0 "[ . 1 . ]" 1
1025 1 101 LYS HA 1 101 LYS HG3 . . 3.400 3.217 2.438 3.948 0.548 16 1 "[ . 1 .+ ]" 1
1026 1 101 LYS HA 1 102 ILE H . . 3.150 2.381 2.084 3.224 0.074 2 0 "[ . 1 . ]" 1
1027 1 102 ILE H 1 102 ILE HB . . 3.250 2.653 2.088 3.128 . 0 0 "[ . 1 . ]" 1
1028 1 102 ILE H 1 102 ILE MD . . 5.020 3.634 1.813 4.848 . 0 0 "[ . 1 . ]" 1
1029 1 102 ILE H 1 102 ILE HG13 . . 5.130 3.738 1.910 4.705 . 0 0 "[ . 1 . ]" 1
1030 1 102 ILE H 1 102 ILE MG . . 4.190 3.121 1.983 4.031 . 0 0 "[ . 1 . ]" 1
1031 1 102 ILE H 1 103 LYS H . . 3.600 2.497 1.678 3.354 . 0 0 "[ . 1 . ]" 1
1032 1 102 ILE HA 1 102 ILE MD . . 4.250 3.412 2.140 3.918 . 0 0 "[ . 1 . ]" 1
1033 1 102 ILE HA 1 102 ILE HG13 . . 3.890 2.657 2.212 3.898 0.008 11 0 "[ . 1 . ]" 1
1034 1 102 ILE HA 1 102 ILE MG . . 3.510 2.820 2.234 3.305 . 0 0 "[ . 1 . ]" 1
1035 1 102 ILE HA 1 105 LEU HB3 . . 4.380 5.061 4.215 6.025 1.645 14 12 "[** *.* * 1- *+* ***]" 1
1036 1 102 ILE HA 1 105 LEU QD . . 4.410 3.884 2.290 4.423 0.013 1 0 "[ . 1 . ]" 1
1037 1 102 ILE HB 1 103 LYS H . . 3.780 3.116 2.036 3.873 0.093 6 0 "[ . 1 . ]" 1
1038 1 102 ILE HG13 1 102 ILE MG . . 3.490 2.964 2.329 3.272 . 0 0 "[ . 1 . ]" 1
1039 1 102 ILE HG13 1 103 LYS H . . 5.500 4.574 3.835 4.997 . 0 0 "[ . 1 . ]" 1
1040 1 102 ILE MG 1 103 LYS H . . 4.280 2.762 1.975 4.004 . 0 0 "[ . 1 . ]" 1
1041 1 102 ILE MG 1 103 LYS HA . . 4.240 3.658 3.067 4.141 . 0 0 "[ . 1 . ]" 1
1042 1 103 LYS H 1 103 LYS HG3 . . 4.340 3.730 2.056 4.623 0.283 13 0 "[ . 1 . ]" 1
1043 1 103 LYS H 1 104 ALA H . . 3.440 3.109 2.608 3.540 0.100 15 0 "[ . 1 . ]" 1
1044 1 103 LYS HA 1 103 LYS HG3 . . 3.770 3.499 2.249 3.991 0.221 15 0 "[ . 1 . ]" 1
1045 1 104 ALA HA 1 105 LEU H . . 3.140 2.646 2.182 3.225 0.085 3 0 "[ . 1 . ]" 1
1046 1 104 ALA MB 1 105 LEU H . . 4.210 3.177 1.909 3.775 . 0 0 "[ . 1 . ]" 1
1047 1 105 LEU H 1 105 LEU HB3 . . 3.350 3.269 2.621 4.055 0.705 19 3 "[ *.- 1 . +]" 1
1048 1 105 LEU HA 1 105 LEU QD . . 3.510 2.412 2.049 3.397 . 0 0 "[ . 1 . ]" 1
1049 1 105 LEU HA 1 106 LEU H . . 3.440 2.502 2.114 3.453 0.013 8 0 "[ . 1 . ]" 1
1050 1 105 LEU QD 1 106 LEU H . . 5.040 3.109 1.732 4.512 . 0 0 "[ . 1 . ]" 1
1051 1 106 LEU H 1 106 LEU HB3 . . 3.720 3.174 2.632 3.792 0.072 8 0 "[ . 1 . ]" 1
1052 1 106 LEU H 1 106 LEU MD1 . . 5.040 4.130 1.870 4.957 . 0 0 "[ . 1 . ]" 1
1053 1 106 LEU HA 1 107 GLU H . . 3.260 2.439 2.194 3.351 0.091 16 0 "[ . 1 . ]" 1
1054 1 106 LEU HB3 1 106 LEU MD1 . . 3.600 2.903 2.375 3.256 . 0 0 "[ . 1 . ]" 1
1055 1 107 GLU HA 1 108 ARG H . . 3.040 2.453 2.179 2.743 . 0 0 "[ . 1 . ]" 1
1056 1 108 ARG H 1 109 THR HB . . 4.910 4.540 3.500 4.983 0.073 11 0 "[ . 1 . ]" 1
1057 1 108 ARG HA 1 109 THR H . . 3.530 2.837 2.495 3.446 . 0 0 "[ . 1 . ]" 1
1058 1 109 THR H 1 109 THR MG . . 4.360 2.861 2.278 3.842 . 0 0 "[ . 1 . ]" 1
1059 1 109 THR H 1 110 GLY H . . 3.940 3.840 2.060 4.029 0.089 8 0 "[ . 1 . ]" 1
1060 1 109 THR HA 1 110 GLY H . . 3.050 2.274 2.024 3.141 0.091 9 0 "[ . 1 . ]" 1
1061 1 109 THR HB 1 110 GLY H . . 4.130 4.023 3.118 4.220 0.090 4 0 "[ . 1 . ]" 1
1062 1 110 GLY H 1 111 TYR H . . 4.140 3.543 1.842 4.225 0.085 15 0 "[ . 1 . ]" 1
1063 1 110 GLY HA2 1 111 TYR QD . . 5.290 4.858 3.609 6.026 0.736 19 1 "[ . 1 . +]" 1
1064 1 111 TYR H 1 111 TYR HB3 . . 3.740 3.412 2.713 3.925 0.185 4 0 "[ . 1 . ]" 1
1065 1 111 TYR H 1 111 TYR QD . . 5.500 3.586 2.275 4.478 . 0 0 "[ . 1 . ]" 1
1066 1 111 TYR HA 1 111 TYR QD . . 3.880 3.120 2.293 3.794 . 0 0 "[ . 1 . ]" 1
1067 1 111 TYR HA 1 112 THR H . . 3.200 2.423 2.174 2.725 . 0 0 "[ . 1 . ]" 1
1068 1 111 TYR QD 1 112 THR HA . . 5.500 4.358 2.840 5.605 0.105 4 0 "[ . 1 . ]" 1
1069 1 112 THR H 1 112 THR MG . . 4.530 3.175 2.074 4.039 . 0 0 "[ . 1 . ]" 1
1070 1 112 THR H 1 117 THR HB . . 4.330 4.268 3.806 4.410 0.080 18 0 "[ . 1 . ]" 1
1071 1 112 THR MG 1 113 LEU H . . 5.500 2.923 1.773 3.713 . 0 0 "[ . 1 . ]" 1
1072 1 112 THR MG 1 114 ASP H . . 5.500 4.005 1.783 5.599 0.099 12 0 "[ . 1 . ]" 1
1073 1 113 LEU H 1 113 LEU MD2 . . 4.750 4.066 1.784 4.790 0.040 16 0 "[ . 1 . ]" 1
1074 1 113 LEU HA 1 114 ASP H . . 3.340 2.827 2.095 3.399 0.059 1 0 "[ . 1 . ]" 1
1075 1 114 ASP H 1 114 ASP HB3 . . 3.760 2.918 2.324 3.550 . 0 0 "[ . 1 . ]" 1
1076 1 114 ASP H 1 115 VAL H . . 3.470 2.908 1.718 3.561 0.091 7 0 "[ . 1 . ]" 1
1077 1 114 ASP HA 1 115 VAL H . . 3.540 2.967 1.993 3.585 0.045 14 0 "[ . 1 . ]" 1
1078 1 114 ASP HB3 1 115 VAL H . . 5.220 4.095 3.496 4.507 . 0 0 "[ . 1 . ]" 1
1079 1 115 VAL H 1 115 VAL MG2 . . 4.500 2.908 1.959 4.085 . 0 0 "[ . 1 . ]" 1
1080 1 115 VAL HA 1 116 THR H . . 3.500 2.832 2.109 3.525 0.025 3 0 "[ . 1 . ]" 1
1081 1 115 VAL MG2 1 116 THR MG . . 4.480 4.225 2.464 5.382 0.902 19 2 "[ . 1 -. +]" 1
1082 1 116 THR H 1 117 THR H . . 3.900 3.273 2.201 3.991 0.091 18 0 "[ . 1 . ]" 1
1083 1 116 THR MG 1 117 THR H . . 5.500 4.178 3.349 4.527 . 0 0 "[ . 1 . ]" 1
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