NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407228 |
1y16   |
5197 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1y16
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 1370
_Distance_constraint_stats_list.Viol_count 4177
_Distance_constraint_stats_list.Viol_total 40769.801
_Distance_constraint_stats_list.Viol_max 5.367
_Distance_constraint_stats_list.Viol_rms 0.3261
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0744
_Distance_constraint_stats_list.Viol_average_violations_only 0.4880
_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 VAL 157.013 5.162 19 20 [*-****************+*]
1 2 VAL 145.457 5.367 5 20 [****+**********-****]
1 3 GLY 24.694 1.552 14 18 "[*********1** +**-***]"
1 4 GLY 146.817 5.162 19 20 [***************-**+*]
1 5 LEU 95.947 5.367 5 20 [****+*****-*********]
1 6 GLY 1.979 0.100 11 0 "[ . 1 . 2]"
1 7 GLY 24.382 1.767 15 17 "[*-*** **** ***+*** *]"
1 8 TYR 2.802 0.172 16 0 "[ . 1 . 2]"
1 9 MET 35.058 1.447 6 18 "[*****+**-* ****** **]"
1 10 LEU 80.661 2.201 3 20 [**+****************-]
1 11 GLY 1.020 0.320 19 0 "[ . 1 . 2]"
1 12 SER 2.803 0.463 20 0 "[ . 1 . 2]"
1 13 ALA 7.388 0.416 19 0 "[ . 1 . 2]"
1 14 MET 56.407 2.115 9 18 "[****-***+******* **2]"
1 15 SER 8.984 0.710 2 11 "[ + .- *** ******2]"
1 16 ARG 9.721 1.229 4 8 "[ +*** *1 * *-]"
1 17 PRO 11.213 0.710 2 12 "[*+ .- *** ******2]"
1 18 MET 12.473 0.756 11 8 "[* *. * -+ . ***2]"
1 19 ILE 13.959 0.670 1 1 "[+ . 1 . 2]"
1 20 HIS 7.773 0.618 16 1 "[ . 1 .+ 2]"
1 21 PHE 7.981 0.457 19 0 "[ . 1 . 2]"
1 22 GLY 1.739 0.618 16 1 "[ . 1 .+ 2]"
1 23 ASN 4.252 0.421 20 0 "[ . 1 . 2]"
1 24 ASP 3.886 0.199 4 0 "[ . 1 . 2]"
1 25 TRP 1.481 0.479 19 0 "[ . 1 . 2]"
1 26 GLU 6.329 0.338 11 0 "[ . 1 . 2]"
1 27 ASP 5.628 0.421 20 0 "[ . 1 . 2]"
1 28 ARG 15.841 0.813 19 9 "[ -. *1* *** *+*]"
1 29 TYR 26.994 0.923 10 7 "[ ** . + *-* *2]"
1 30 TYR 35.944 0.838 3 15 "[**+*. ***-* *** ***2]"
1 31 ARG 117.710 3.661 12 20 [***-*******+********]
1 32 GLU 7.759 0.478 5 0 "[ . 1 . 2]"
1 33 ASN 2.365 0.216 5 0 "[ . 1 . 2]"
1 34 MET 158.767 3.661 12 20 [***********+*******-]
1 35 TYR 51.594 3.126 15 20 [**********-***+*****]
1 36 ARG 12.946 2.111 19 5 "[ * *- . +*]"
1 37 TYR 18.851 0.830 2 5 "[ + . * 1 -*. *2]"
1 38 PRO 3.760 0.847 6 3 "[ .+ - 1 * 2]"
1 39 ASN 0.699 0.308 16 0 "[ . 1 . 2]"
1 40 GLN 99.447 3.215 15 20 [****-*********+*****]
1 41 VAL 56.133 2.201 3 20 [**+**************-**]
1 42 TYR 79.414 2.109 14 20 [*****-*******+******]
1 43 TYR 55.736 1.818 10 20 [*********+*****-****]
1 44 ARG 6.359 0.243 9 0 "[ . 1 . 2]"
1 45 PRO 18.998 1.447 6 18 "[*****+**-* ****** **]"
1 46 VAL 11.943 0.698 1 4 "[+ . * * . -2]"
1 47 ASP 3.790 0.437 11 0 "[ . 1 . 2]"
1 48 GLN 96.017 3.095 6 20 [*****+****-*********]
1 49 TYR 139.470 3.095 6 20 [*****+************-*]
1 50 ASN 0.376 0.225 20 0 "[ . 1 . 2]"
1 51 ASN 47.840 2.909 6 19 "[*****+*********** -*]"
1 52 GLN 17.048 1.482 17 13 "[** *** * ** ***+ -2]"
1 53 ASN 37.519 2.909 6 19 "[*****+*********-* **]"
1 54 THR 38.513 2.166 7 20 [******+*****-*******]
1 55 PHE 79.239 1.818 10 20 [*********+*****-****]
1 56 VAL 31.497 1.319 10 20 [*********+******-***]
1 57 HIS 8.532 0.453 14 0 "[ . 1 . 2]"
1 58 ASP 21.780 1.333 11 15 "[* *- ****+ **** ***]"
1 59 CYS 10.396 0.595 8 2 "[ . + 1 . - 2]"
1 60 VAL 11.712 0.551 4 2 "[ +. 1 . - 2]"
1 61 ASN 39.306 1.825 15 20 [****-*********+*****]
1 62 ILE 16.343 0.984 4 9 "[ +* *- ** ** *]"
1 63 THR 25.331 1.619 4 19 "[***+****** *-*******]"
1 64 ILE 78.627 3.588 19 20 [***-**************+*]
1 65 LYS 164.413 3.588 19 20 [***-**************+*]
1 66 GLN 63.409 1.619 4 20 [***+*-**************]
1 67 HIS 10.794 0.547 10 5 "[* * *+ . - 2]"
1 68 THR 125.895 2.152 16 20 [********-******+****]
1 69 VAL 87.659 2.902 11 20 [********-*+*********]
1 70 THR 31.937 1.112 5 19 "[****+-****** *******]"
1 71 THR 17.940 0.677 17 17 "[*****- *******. +***]"
1 72 THR 21.148 1.326 9 19 "[********+* *-*******]"
1 73 THR 45.649 2.902 11 19 "[*****-* **+*********]"
1 74 LYS 13.099 0.595 13 2 "[ .- 1 + . 2]"
1 75 GLY 15.415 1.129 12 11 "[ ***. * *1*+ ** -*2]"
1 76 GLU 47.635 1.609 13 19 "[******-*****+*** ***]"
1 77 ASN 54.471 1.609 13 19 "[******-*****+*** ***]"
1 78 PHE 61.390 2.075 15 20 [************-*+*****]
1 79 THR 18.924 0.376 5 0 "[ . 1 . 2]"
1 80 GLU 23.854 1.588 18 12 "[ *.** 1*******+ -]"
1 81 THR 18.040 0.443 7 0 "[ . 1 . 2]"
1 82 ASP 13.072 0.876 14 9 "[ ** * *1* -+.* * 2]"
1 83 VAL 22.688 1.195 7 15 "[** *. + *1**********]"
1 84 LYS 22.043 1.588 18 10 "[ * *.* 1 ***- *+ *]"
1 85 MET 16.144 0.923 10 1 "[ . + . 2]"
1 86 MET 36.673 1.096 14 15 "[** *.****1 -+******]"
1 87 GLU 9.636 0.554 9 7 "[ **. * +* .*- 2]"
1 88 ARG 25.560 0.556 1 6 "[+ * . - ** .* 2]"
1 89 VAL 3.167 0.449 6 0 "[ . 1 . 2]"
1 90 VAL 23.873 1.193 19 20 [*****************-+*]
1 91 GLU 9.555 0.556 1 2 "[+ - . 1 . 2]"
1 92 GLN 24.561 1.740 8 15 "[***** -+*** * * ***]"
1 93 MET 36.893 1.193 19 20 [***-**************+*]
1 94 CYS 27.773 1.424 9 19 "[*** **-*+***********]"
1 95 VAL 1.019 0.100 4 0 "[ . 1 . 2]"
1 96 THR 24.425 0.673 19 11 "[* *-.* *1* **. * +*]"
1 97 GLN 68.881 3.215 15 20 [**************+**-**]
1 98 TYR 5.971 0.228 5 0 "[ . 1 . 2]"
1 99 GLN 11.186 0.306 17 0 "[ . 1 . 2]"
1 100 LYS 7.210 0.225 2 0 "[ . 1 . 2]"
1 101 GLU 5.420 0.568 1 2 "[+ . - . 2]"
1 102 SER 3.869 0.146 8 0 "[ . 1 . 2]"
1 103 GLN 10.540 0.504 12 1 "[ . 1 + . 2]"
1 104 ALA 7.705 0.189 20 0 "[ . 1 . 2]"
1 105 TYR 127.386 2.900 4 20 [***+***-************]
1 106 TYR 133.576 2.900 4 20 [***+***-************]
1 107 ASP 23.160 0.719 20 20 [*********-*********+]
1 108 GLY 6.342 0.271 16 0 "[ . 1 . 2]"
1 109 ARG 32.782 1.396 14 20 [*************+*****-]
1 110 ARG 26.774 1.396 14 20 [*************+*****-]
1 111 SER 3.993 0.594 12 1 "[ . 1 + . 2]"
1 112 SER 0.675 0.145 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL H1 1 1 VAL HB . . 3.240 3.093 2.733 3.348 0.108 4 0 "[ . 1 . 2]" 1
2 1 1 VAL H1 1 2 VAL H . . 3.100 3.152 2.450 3.299 0.199 1 0 "[ . 1 . 2]" 1
3 1 1 VAL HA 1 1 VAL MG2 . . 2.990 2.422 2.263 2.658 . 0 0 "[ . 1 . 2]" 1
4 1 1 VAL HA 1 2 VAL H . . 2.690 2.468 2.149 2.777 0.087 6 0 "[ . 1 . 2]" 1
5 1 1 VAL HA 1 3 GLY H . . 4.790 5.173 3.195 6.342 1.552 14 13 "[*-**** **1* +* **2]" 1
6 1 1 VAL HA 1 4 GLY H . . 4.210 6.994 5.777 8.076 3.866 5 20 [****+*********-*****] 1
7 1 1 VAL HA 1 4 GLY QA . . 3.870 7.942 5.897 9.032 5.162 19 20 [************-*****+*] 1
8 1 2 VAL H 1 2 VAL HB . . 3.130 3.372 2.392 3.609 0.479 15 0 "[ . 1 . 2]" 1
9 1 2 VAL H 1 3 GLY H . . 4.720 3.930 2.378 4.679 . 0 0 "[ . 1 . 2]" 1
10 1 2 VAL H 1 5 LEU H . . 2.920 6.569 5.427 8.287 5.367 5 20 [****+************-**] 1
11 1 2 VAL HA 1 2 VAL QG . . 2.820 2.262 2.056 2.371 . 0 0 "[ . 1 . 2]" 1
12 1 2 VAL HA 1 3 GLY H . . 2.740 2.638 2.068 3.436 0.696 12 5 "[ . * 1 + .*- *]" 1
13 1 2 VAL HA 1 3 GLY QA . . 3.970 4.051 3.749 4.445 0.475 20 0 "[ . 1 . 2]" 1
14 1 2 VAL HA 1 4 GLY H . . 4.630 4.930 4.105 5.385 0.755 2 9 "[*+ ** 1* .-* **]" 1
15 1 2 VAL HB 1 3 GLY H . . 4.680 3.536 2.290 4.507 . 0 0 "[ . 1 . 2]" 1
16 1 2 VAL HB 1 3 GLY QA . . 4.990 4.673 4.199 5.204 0.214 6 0 "[ . 1 . 2]" 1
17 1 2 VAL HB 1 5 LEU QB . . 4.750 2.803 2.044 4.046 . 0 0 "[ . 1 . 2]" 1
18 1 2 VAL HB 1 5 LEU QD . . 4.430 2.907 2.163 4.203 . 0 0 "[ . 1 . 2]" 1
19 1 2 VAL QG 1 3 GLY QA . . 4.020 3.762 3.290 4.045 0.025 13 0 "[ . 1 . 2]" 1
20 1 2 VAL QG 1 5 LEU QB . . 4.590 2.215 1.920 3.008 . 0 0 "[ . 1 . 2]" 1
21 1 2 VAL QG 1 5 LEU QD . . 3.880 2.451 1.794 3.205 . 0 0 "[ . 1 . 2]" 1
22 1 2 VAL QG 1 5 LEU HG . . 5.500 4.349 3.868 5.030 . 0 0 "[ . 1 . 2]" 1
23 1 2 VAL QG 1 42 TYR QD . . 4.500 5.865 5.249 6.609 2.109 14 20 [*******-*****+******] 1
24 1 2 VAL QG 1 42 TYR QE . . 4.050 5.107 4.116 5.805 1.755 14 17 "[*****-* ** *+******]" 1
25 1 3 GLY H 1 4 GLY H . . 3.860 3.549 2.635 4.259 0.399 2 0 "[ . 1 . 2]" 1
26 1 3 GLY QA 1 5 LEU QD . . 5.070 4.747 3.964 5.257 0.187 18 0 "[ . 1 . 2]" 1
27 1 4 GLY H 1 4 GLY QA . . 2.570 2.423 2.189 2.514 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLY H 1 5 LEU H . . 2.710 2.369 1.722 2.818 0.108 15 0 "[ . 1 . 2]" 1
29 1 4 GLY QA 1 5 LEU H . . 2.910 2.587 2.015 2.994 0.084 18 0 "[ . 1 . 2]" 1
30 1 5 LEU H 1 5 LEU QB . . 2.910 2.639 2.393 2.867 . 0 0 "[ . 1 . 2]" 1
31 1 5 LEU H 1 6 GLY H . . 3.370 3.316 2.726 3.470 0.100 11 0 "[ . 1 . 2]" 1
32 1 5 LEU H 1 7 GLY H . . 4.660 5.615 4.765 6.427 1.767 15 14 "[ -*** ** * ***+ ** *]" 1
33 1 5 LEU HA 1 5 LEU QD . . 3.010 2.769 2.543 2.922 . 0 0 "[ . 1 . 2]" 1
34 1 5 LEU HA 1 5 LEU HG . . 3.800 2.195 2.110 2.289 . 0 0 "[ . 1 . 2]" 1
35 1 5 LEU HA 1 6 GLY HA3 . . 4.750 4.456 4.352 4.749 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU HA 1 7 GLY H . . 4.730 4.540 4.139 4.836 0.106 3 0 "[ . 1 . 2]" 1
37 1 5 LEU HA 1 8 TYR QB . . 4.200 3.904 3.701 4.099 . 0 0 "[ . 1 . 2]" 1
38 1 5 LEU HA 1 8 TYR QD . . 3.750 2.487 2.225 2.953 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU HA 1 8 TYR QE . . 4.700 3.052 2.359 3.613 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU HA 1 62 ILE MD . . 5.350 2.857 2.182 3.499 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU QB 1 6 GLY H . . 4.260 3.883 3.773 4.033 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU QB 1 8 TYR H . . 4.500 3.638 3.076 4.413 . 0 0 "[ . 1 . 2]" 1
43 1 5 LEU QB 1 8 TYR QB . . 4.210 3.527 3.188 3.934 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU QD 1 8 TYR QB . . 4.450 2.139 2.016 2.308 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU QD 1 8 TYR QD . . 4.320 3.291 3.011 3.455 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU QD 1 8 TYR QE . . 4.960 4.413 4.060 4.649 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU QD 1 42 TYR HB2 . . 5.060 4.178 3.758 4.664 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU QD 1 62 ILE MD . . 3.510 2.443 1.960 3.280 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU QD 1 62 ILE MG . . 3.900 2.187 1.895 3.157 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU QD 1 66 GLN HE22 . . 4.270 3.065 2.236 4.832 0.562 11 1 "[ . 1+ . 2]" 1
51 1 5 LEU QD 1 66 GLN QG . . 4.650 2.008 1.802 3.217 . 0 0 "[ . 1 . 2]" 1
52 1 5 LEU HG 1 8 TYR QD . . 5.070 2.808 2.232 3.120 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLY H 1 7 GLY H . . 3.800 3.653 2.775 3.897 0.097 14 0 "[ . 1 . 2]" 1
54 1 6 GLY HA2 1 8 TYR QD . . 4.870 4.483 4.051 4.909 0.039 20 0 "[ . 1 . 2]" 1
55 1 6 GLY HA3 1 8 TYR QD . . 4.580 4.010 3.492 4.365 . 0 0 "[ . 1 . 2]" 1
56 1 7 GLY H 1 8 TYR H . . 3.350 2.791 2.416 3.154 . 0 0 "[ . 1 . 2]" 1
57 1 7 GLY QA 1 8 TYR H . . 3.640 2.706 2.452 2.945 . 0 0 "[ . 1 . 2]" 1
58 1 7 GLY QA 1 9 MET ME . . 5.040 4.968 3.947 6.081 1.041 16 3 "[* . -1 .+ 2]" 1
59 1 8 TYR H 1 8 TYR QB . . 3.280 2.374 2.296 2.499 . 0 0 "[ . 1 . 2]" 1
60 1 8 TYR H 1 9 MET H . . 4.810 4.453 4.223 4.614 . 0 0 "[ . 1 . 2]" 1
61 1 8 TYR HA 1 8 TYR QD . . 3.420 3.042 2.861 3.170 . 0 0 "[ . 1 . 2]" 1
62 1 8 TYR HA 1 8 TYR QE . . 4.580 4.594 4.441 4.738 0.158 2 0 "[ . 1 . 2]" 1
63 1 8 TYR HA 1 9 MET H . . 3.240 2.150 2.058 2.277 . 0 0 "[ . 1 . 2]" 1
64 1 8 TYR HA 1 9 MET ME . . 4.310 3.623 2.842 4.482 0.172 16 0 "[ . 1 . 2]" 1
65 1 8 TYR HA 1 9 MET QG . . 5.040 4.154 3.122 5.106 0.066 11 0 "[ . 1 . 2]" 1
66 1 8 TYR HA 1 44 ARG HA . . 4.280 2.982 2.397 3.938 . 0 0 "[ . 1 . 2]" 1
67 1 8 TYR HA 1 44 ARG HG2 . . 4.300 3.443 3.005 3.888 . 0 0 "[ . 1 . 2]" 1
68 1 8 TYR HA 1 44 ARG HG3 . . 4.320 2.745 2.233 3.456 . 0 0 "[ . 1 . 2]" 1
69 1 8 TYR QB 1 9 MET H . . 3.960 3.179 2.417 3.526 . 0 0 "[ . 1 . 2]" 1
70 1 8 TYR QB 1 43 TYR H . . 4.480 3.122 2.938 3.258 . 0 0 "[ . 1 . 2]" 1
71 1 8 TYR QB 1 62 ILE MG . . 4.550 2.554 2.298 3.019 . 0 0 "[ . 1 . 2]" 1
72 1 8 TYR QD 1 43 TYR HA . . 3.580 2.686 2.253 3.135 . 0 0 "[ . 1 . 2]" 1
73 1 8 TYR QD 1 44 ARG HD2 . . 4.830 3.845 3.200 4.924 0.094 9 0 "[ . 1 . 2]" 1
74 1 8 TYR QD 1 44 ARG HD3 . . 4.810 4.181 3.587 4.684 . 0 0 "[ . 1 . 2]" 1
75 1 8 TYR QD 1 44 ARG HG2 . . 4.480 4.280 3.940 4.447 . 0 0 "[ . 1 . 2]" 1
76 1 8 TYR QD 1 62 ILE HB . . 4.280 3.757 3.477 4.270 . 0 0 "[ . 1 . 2]" 1
77 1 8 TYR QD 1 62 ILE MD . . 4.780 3.255 2.961 3.675 . 0 0 "[ . 1 . 2]" 1
78 1 8 TYR QD 1 62 ILE MG . . 3.790 2.638 2.279 2.941 . 0 0 "[ . 1 . 2]" 1
79 1 8 TYR QE 1 43 TYR HA . . 3.760 3.737 2.644 3.879 0.119 9 0 "[ . 1 . 2]" 1
80 1 8 TYR QE 1 44 ARG HD2 . . 4.420 2.964 2.512 3.682 . 0 0 "[ . 1 . 2]" 1
81 1 8 TYR QE 1 44 ARG HD3 . . 3.550 2.951 2.539 3.496 . 0 0 "[ . 1 . 2]" 1
82 1 8 TYR QE 1 62 ILE HB . . 4.060 3.790 3.472 4.074 0.014 1 0 "[ . 1 . 2]" 1
83 1 8 TYR QE 1 62 ILE MD . . 3.840 2.990 2.744 3.257 . 0 0 "[ . 1 . 2]" 1
84 1 8 TYR QE 1 62 ILE QG . . 3.540 2.572 2.246 2.812 . 0 0 "[ . 1 . 2]" 1
85 1 8 TYR QE 1 62 ILE MG . . 3.740 3.578 3.206 3.779 0.039 20 0 "[ . 1 . 2]" 1
86 1 9 MET H 1 9 MET HB2 . . 4.010 2.896 2.283 3.694 . 0 0 "[ . 1 . 2]" 1
87 1 9 MET H 1 43 TYR H . . 3.970 3.030 2.509 3.263 . 0 0 "[ . 1 . 2]" 1
88 1 9 MET H 1 44 ARG HA . . 4.570 3.344 3.095 4.011 . 0 0 "[ . 1 . 2]" 1
89 1 9 MET HA 1 9 MET QG . . 3.340 2.873 2.392 3.494 0.154 9 0 "[ . 1 . 2]" 1
90 1 9 MET HA 1 10 LEU H . . 2.890 2.417 2.216 2.637 . 0 0 "[ . 1 . 2]" 1
91 1 9 MET HA 1 10 LEU QD . . 5.210 5.086 4.869 5.346 0.136 6 0 "[ . 1 . 2]" 1
92 1 9 MET HA 1 42 TYR QD . . 4.910 4.118 3.647 4.530 . 0 0 "[ . 1 . 2]" 1
93 1 9 MET HB2 1 9 MET ME . . 3.560 2.778 2.114 3.747 0.187 16 0 "[ . 1 . 2]" 1
94 1 9 MET HB2 1 10 LEU H . . 4.080 3.261 2.200 4.336 0.256 8 0 "[ . 1 . 2]" 1
95 1 9 MET HB2 1 43 TYR QE . . 4.090 3.587 2.773 4.314 0.224 15 0 "[ . 1 . 2]" 1
96 1 9 MET HB3 1 9 MET ME . . 3.300 3.079 2.167 3.588 0.288 20 0 "[ . 1 . 2]" 1
97 1 9 MET HB3 1 43 TYR QE . . 4.710 4.211 2.900 4.920 0.210 7 0 "[ . 1 . 2]" 1
98 1 9 MET ME 1 44 ARG HB3 . . 4.080 4.243 4.189 4.259 0.179 10 0 "[ . 1 . 2]" 1
99 1 9 MET ME 1 44 ARG HG2 . . 3.790 3.916 3.542 3.976 0.186 9 0 "[ . 1 . 2]" 1
100 1 9 MET ME 1 45 PRO HA . . 3.590 2.663 2.103 3.149 . 0 0 "[ . 1 . 2]" 1
101 1 9 MET ME 1 45 PRO HD2 . . 4.820 3.392 3.184 3.594 . 0 0 "[ . 1 . 2]" 1
102 1 9 MET ME 1 45 PRO HD3 . . 4.620 2.078 1.920 2.288 . 0 0 "[ . 1 . 2]" 1
103 1 9 MET QG 1 43 TYR QE . . 4.760 3.628 2.132 4.927 0.167 19 0 "[ . 1 . 2]" 1
104 1 9 MET QG 1 45 PRO QB . . 4.640 5.447 5.084 6.087 1.447 6 18 "[*****+**-* ****** **]" 1
105 1 9 MET QG 1 45 PRO HD3 . . 4.690 4.599 3.901 5.107 0.417 11 0 "[ . 1 . 2]" 1
106 1 10 LEU H 1 10 LEU QB . . 3.120 2.412 2.154 2.585 . 0 0 "[ . 1 . 2]" 1
107 1 10 LEU HA 1 10 LEU QD . . 3.160 2.075 1.991 2.252 . 0 0 "[ . 1 . 2]" 1
108 1 10 LEU HA 1 11 GLY H . . 3.300 2.264 2.121 2.563 . 0 0 "[ . 1 . 2]" 1
109 1 10 LEU HA 1 41 VAL H . . 4.830 4.522 4.091 4.931 0.101 11 0 "[ . 1 . 2]" 1
110 1 10 LEU HA 1 42 TYR HA . . 3.390 2.171 2.030 2.350 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU HA 1 42 TYR QD . . 4.120 3.344 3.094 3.860 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU HA 1 43 TYR H . . 4.500 3.665 3.362 3.894 . 0 0 "[ . 1 . 2]" 1
113 1 10 LEU HA 1 43 TYR QE . . 3.430 3.972 3.477 4.848 1.418 16 8 "[*-* .* * 1 * *.+ 2]" 1
114 1 10 LEU QB 1 41 VAL H . . 3.780 5.554 5.042 5.981 2.201 3 20 [**+***************-*] 1
115 1 10 LEU QB 1 42 TYR H . . 4.370 5.911 5.693 6.316 1.946 11 20 [*-********+*********] 1
116 1 10 LEU QB 1 42 TYR HA . . 4.530 3.929 3.538 4.352 . 0 0 "[ . 1 . 2]" 1
117 1 10 LEU QB 1 42 TYR QD . . 4.290 3.161 2.452 3.918 . 0 0 "[ . 1 . 2]" 1
118 1 10 LEU QB 1 42 TYR QE . . 4.370 2.692 2.271 3.229 . 0 0 "[ . 1 . 2]" 1
119 1 10 LEU QD 1 40 GLN HA . . 5.320 4.050 3.651 4.702 . 0 0 "[ . 1 . 2]" 1
120 1 10 LEU QD 1 40 GLN QG . . 3.850 3.214 2.290 3.833 . 0 0 "[ . 1 . 2]" 1
121 1 10 LEU QD 1 41 VAL HA . . 5.190 3.269 2.969 3.700 . 0 0 "[ . 1 . 2]" 1
122 1 10 LEU QD 1 42 TYR HA . . 4.300 2.513 2.191 3.028 . 0 0 "[ . 1 . 2]" 1
123 1 10 LEU QD 1 42 TYR QD . . 4.540 2.696 2.584 2.929 . 0 0 "[ . 1 . 2]" 1
124 1 10 LEU QD 1 42 TYR QE . . 3.820 2.651 2.465 2.807 . 0 0 "[ . 1 . 2]" 1
125 1 10 LEU HG 1 40 GLN QG . . 5.320 4.079 2.137 6.081 0.761 3 3 "[ + . 1 . *-]" 1
126 1 11 GLY H 1 41 VAL H . . 4.560 3.000 2.551 3.632 . 0 0 "[ . 1 . 2]" 1
127 1 11 GLY H 1 42 TYR HA . . 4.780 3.355 2.665 4.078 . 0 0 "[ . 1 . 2]" 1
128 1 11 GLY HA2 1 43 TYR QE . . 4.050 2.265 2.008 3.451 . 0 0 "[ . 1 . 2]" 1
129 1 11 GLY HA3 1 12 SER H . . 3.250 2.811 2.142 3.570 0.320 19 0 "[ . 1 . 2]" 1
130 1 11 GLY HA3 1 41 VAL QG . . 5.170 3.592 2.691 4.359 . 0 0 "[ . 1 . 2]" 1
131 1 11 GLY HA3 1 43 TYR QE . . 4.050 2.883 2.002 3.543 . 0 0 "[ . 1 . 2]" 1
132 1 12 SER H 1 12 SER HA . . 2.850 2.711 2.154 2.941 0.091 3 0 "[ . 1 . 2]" 1
133 1 12 SER H 1 12 SER QB . . 3.200 2.502 2.075 2.971 . 0 0 "[ . 1 . 2]" 1
134 1 12 SER H 1 13 ALA H . . 4.420 3.117 1.777 4.526 0.106 16 0 "[ . 1 . 2]" 1
135 1 12 SER HA 1 13 ALA MB . . 4.610 4.242 3.869 4.440 . 0 0 "[ . 1 . 2]" 1
136 1 12 SER HA 1 40 GLN QG . . 4.700 4.438 3.549 4.755 0.055 7 0 "[ . 1 . 2]" 1
137 1 12 SER QB 1 13 ALA H . . 3.400 2.527 2.090 3.096 . 0 0 "[ . 1 . 2]" 1
138 1 12 SER QB 1 13 ALA MB . . 4.810 3.642 3.222 4.527 . 0 0 "[ . 1 . 2]" 1
139 1 12 SER QB 1 40 GLN QG . . 4.900 4.720 3.697 5.363 0.463 20 0 "[ . 1 . 2]" 1
140 1 13 ALA H 1 13 ALA HA . . 2.910 2.566 2.178 2.717 . 0 0 "[ . 1 . 2]" 1
141 1 13 ALA H 1 13 ALA MB . . 3.030 2.981 2.114 3.158 0.128 9 0 "[ . 1 . 2]" 1
142 1 13 ALA H 1 14 MET QB . . 5.040 4.785 4.048 5.032 . 0 0 "[ . 1 . 2]" 1
143 1 13 ALA H 1 40 GLN QE . . 4.460 3.668 2.258 4.205 . 0 0 "[ . 1 . 2]" 1
144 1 13 ALA H 1 40 GLN QG . . 4.710 2.945 1.861 3.470 . 0 0 "[ . 1 . 2]" 1
145 1 13 ALA HA 1 14 MET H . . 2.820 2.294 2.090 2.885 0.065 20 0 "[ . 1 . 2]" 1
146 1 13 ALA HA 1 40 GLN HA . . 3.740 3.584 2.536 3.906 0.166 13 0 "[ . 1 . 2]" 1
147 1 13 ALA HA 1 40 GLN QE . . 5.500 3.533 1.932 4.229 . 0 0 "[ . 1 . 2]" 1
148 1 13 ALA HA 1 40 GLN QG . . 3.360 2.071 1.850 2.604 . 0 0 "[ . 1 . 2]" 1
149 1 13 ALA MB 1 14 MET H . . 3.820 2.999 1.877 3.728 . 0 0 "[ . 1 . 2]" 1
150 1 13 ALA MB 1 14 MET HA . . 4.660 4.119 3.895 4.457 . 0 0 "[ . 1 . 2]" 1
151 1 13 ALA MB 1 39 ASN QB . . 5.030 4.221 3.417 4.905 . 0 0 "[ . 1 . 2]" 1
152 1 13 ALA MB 1 39 ASN HD21 . . 4.540 2.988 1.970 4.674 0.134 18 0 "[ . 1 . 2]" 1
153 1 13 ALA MB 1 39 ASN HD22 . . 4.330 3.022 2.351 4.638 0.308 16 0 "[ . 1 . 2]" 1
154 1 13 ALA MB 1 40 GLN HA . . 4.940 5.007 3.901 5.356 0.416 19 0 "[ . 1 . 2]" 1
155 1 13 ALA MB 1 40 GLN QG . . 4.170 3.280 2.203 3.951 . 0 0 "[ . 1 . 2]" 1
156 1 14 MET H 1 14 MET QB . . 3.830 2.591 2.241 3.082 . 0 0 "[ . 1 . 2]" 1
157 1 14 MET H 1 39 ASN QB . . 4.200 3.603 2.679 4.190 . 0 0 "[ . 1 . 2]" 1
158 1 14 MET H 1 39 ASN HD21 . . 5.100 3.202 2.372 4.949 . 0 0 "[ . 1 . 2]" 1
159 1 14 MET H 1 39 ASN HD22 . . 5.160 3.729 2.577 5.224 0.064 7 0 "[ . 1 . 2]" 1
160 1 14 MET H 1 40 GLN QG . . 4.670 3.267 2.249 4.469 . 0 0 "[ . 1 . 2]" 1
161 1 14 MET HA 1 14 MET ME . . 4.300 4.529 4.266 4.770 0.470 13 0 "[ . 1 . 2]" 1
162 1 14 MET HA 1 14 MET HG2 . . 4.010 2.495 2.126 3.327 . 0 0 "[ . 1 . 2]" 1
163 1 14 MET HA 1 14 MET HG3 . . 3.830 2.934 2.186 3.458 . 0 0 "[ . 1 . 2]" 1
164 1 14 MET HA 1 15 SER H . . 3.020 2.642 2.352 2.794 . 0 0 "[ . 1 . 2]" 1
165 1 14 MET QB 1 15 SER H . . 3.480 2.095 1.770 2.471 . 0 0 "[ . 1 . 2]" 1
166 1 14 MET QB 1 39 ASN HA . . 4.950 4.388 3.515 4.899 . 0 0 "[ . 1 . 2]" 1
167 1 14 MET QB 1 39 ASN QB . . 5.090 4.525 3.658 5.050 . 0 0 "[ . 1 . 2]" 1
168 1 14 MET QB 1 40 GLN H . . 4.450 5.210 4.529 6.083 1.633 4 14 "[ *+-****** *** **2]" 1
169 1 14 MET QB 1 40 GLN QE . . 5.110 6.383 5.125 7.225 2.115 9 18 "[********+**-**** **2]" 1
170 1 14 MET ME 1 14 MET HG3 . . 3.180 2.531 2.145 3.356 0.176 10 0 "[ . 1 . 2]" 1
171 1 14 MET ME 1 40 GLN HA . . 3.870 3.855 3.110 4.064 0.194 7 0 "[ . 1 . 2]" 1
172 1 14 MET ME 1 41 VAL QG . . 3.680 2.297 1.939 3.052 . 0 0 "[ . 1 . 2]" 1
173 1 14 MET ME 1 96 THR HA . . 4.850 5.165 4.473 5.523 0.673 19 6 "[* . *1* -*. +2]" 1
174 1 14 MET ME 1 96 THR HB . . 3.200 3.140 2.220 3.365 0.165 13 0 "[ . 1 . 2]" 1
175 1 14 MET ME 1 96 THR MG . . 3.310 2.791 1.953 3.444 0.134 14 0 "[ . 1 . 2]" 1
176 1 14 MET ME 1 97 GLN HA . . 3.670 3.232 2.527 3.795 0.125 19 0 "[ . 1 . 2]" 1
177 1 14 MET HG3 1 96 THR MG . . 5.260 4.414 3.300 5.224 . 0 0 "[ . 1 . 2]" 1
178 1 15 SER H 1 15 SER QB . . 3.090 2.447 2.138 2.937 . 0 0 "[ . 1 . 2]" 1
179 1 15 SER H 1 16 ARG H . . 4.530 4.442 4.139 4.603 0.073 15 0 "[ . 1 . 2]" 1
180 1 15 SER HA 1 16 ARG H . . 2.750 2.523 2.263 2.825 0.075 3 0 "[ . 1 . 2]" 1
181 1 15 SER QB 1 16 ARG H . . 3.890 2.744 2.331 3.396 . 0 0 "[ . 1 . 2]" 1
182 1 15 SER QB 1 17 PRO QD . . 4.100 3.964 3.500 4.135 0.035 15 0 "[ . 1 . 2]" 1
183 1 15 SER QB 1 17 PRO QG . . 5.090 5.502 4.852 5.800 0.710 2 11 "[ + .- *** ******2]" 1
184 1 16 ARG H 1 16 ARG QB . . 3.540 2.579 2.174 3.160 . 0 0 "[ . 1 . 2]" 1
185 1 16 ARG HA 1 17 PRO QD . . 3.790 2.038 1.974 2.105 . 0 0 "[ . 1 . 2]" 1
186 1 16 ARG HA 1 89 VAL QG . . 4.720 3.821 3.172 4.241 . 0 0 "[ . 1 . 2]" 1
187 1 16 ARG HA 1 93 MET ME . . 3.780 3.586 2.778 3.947 0.167 13 0 "[ . 1 . 2]" 1
188 1 16 ARG HD2 1 34 MET HB2 . . 4.800 3.579 2.133 4.408 . 0 0 "[ . 1 . 2]" 1
189 1 16 ARG HD2 1 34 MET HB3 . . 5.190 4.828 3.781 5.536 0.346 12 0 "[ . 1 . 2]" 1
190 1 16 ARG HD2 1 34 MET ME . . 4.130 2.902 2.015 3.878 . 0 0 "[ . 1 . 2]" 1
191 1 16 ARG HD3 1 34 MET ME . . 4.210 3.287 2.236 4.271 0.061 20 0 "[ . 1 . 2]" 1
192 1 16 ARG QG 1 34 MET ME . . 3.070 3.184 2.067 4.299 1.229 4 8 "[ +*** *1 * *-]" 1
193 1 17 PRO HA 1 18 MET H . . 2.880 2.315 2.205 2.517 . 0 0 "[ . 1 . 2]" 1
194 1 17 PRO HB2 1 18 MET H . . 4.280 3.145 2.554 3.659 . 0 0 "[ . 1 . 2]" 1
195 1 17 PRO HB2 1 19 ILE MD . . 3.580 3.178 2.460 3.583 0.003 7 0 "[ . 1 . 2]" 1
196 1 17 PRO HB2 1 19 ILE QG . . 4.760 3.171 2.384 3.566 . 0 0 "[ . 1 . 2]" 1
197 1 17 PRO HB2 1 19 ILE MG . . 5.180 5.144 4.337 5.531 0.351 15 0 "[ . 1 . 2]" 1
198 1 17 PRO HB3 1 18 MET H . . 4.570 3.789 3.101 4.138 . 0 0 "[ . 1 . 2]" 1
199 1 17 PRO HB3 1 19 ILE MD . . 4.900 4.275 3.812 4.669 . 0 0 "[ . 1 . 2]" 1
200 1 17 PRO QD 1 89 VAL QG . . 3.730 2.625 2.098 3.079 . 0 0 "[ . 1 . 2]" 1
201 1 17 PRO QD 1 93 MET ME . . 5.280 2.972 2.398 3.462 . 0 0 "[ . 1 . 2]" 1
202 1 17 PRO QD 1 93 MET HG2 . . 5.180 3.357 2.587 4.112 . 0 0 "[ . 1 . 2]" 1
203 1 17 PRO QG 1 19 ILE MD . . 3.870 2.431 2.019 3.020 . 0 0 "[ . 1 . 2]" 1
204 1 17 PRO QG 1 19 ILE QG . . 4.820 2.671 2.340 3.904 . 0 0 "[ . 1 . 2]" 1
205 1 17 PRO QG 1 19 ILE MG . . 4.980 4.857 4.411 5.650 0.670 1 1 "[+ . 1 . 2]" 1
206 1 17 PRO QG 1 89 VAL QG . . 4.270 2.432 2.055 3.255 . 0 0 "[ . 1 . 2]" 1
207 1 18 MET H 1 18 MET QB . . 3.420 2.353 2.206 2.534 . 0 0 "[ . 1 . 2]" 1
208 1 18 MET H 1 19 ILE H . . 4.560 4.229 3.843 4.598 0.038 17 0 "[ . 1 . 2]" 1
209 1 18 MET HA 1 18 MET ME . . 3.550 3.495 2.350 3.728 0.178 10 0 "[ . 1 . 2]" 1
210 1 18 MET HA 1 18 MET HG2 . . 4.180 3.533 1.982 3.758 . 0 0 "[ . 1 . 2]" 1
211 1 18 MET HA 1 18 MET HG3 . . 4.180 2.721 2.271 3.286 . 0 0 "[ . 1 . 2]" 1
212 1 18 MET HA 1 19 ILE H . . 3.290 2.189 2.088 2.368 . 0 0 "[ . 1 . 2]" 1
213 1 18 MET HA 1 19 ILE QG . . 5.020 3.739 3.472 3.924 . 0 0 "[ . 1 . 2]" 1
214 1 18 MET HA 1 30 TYR QD . . 4.480 4.044 3.334 4.442 . 0 0 "[ . 1 . 2]" 1
215 1 18 MET HA 1 30 TYR QE . . 3.130 2.615 2.122 3.182 0.052 8 0 "[ . 1 . 2]" 1
216 1 18 MET QB 1 19 ILE H . . 4.650 3.826 3.370 4.027 . 0 0 "[ . 1 . 2]" 1
217 1 18 MET QB 1 30 TYR QE . . 4.090 4.495 4.043 4.846 0.756 11 8 "[* *. * -+ . ***2]" 1
218 1 18 MET ME 1 18 MET HG2 . . 3.450 2.565 2.164 3.348 . 0 0 "[ . 1 . 2]" 1
219 1 18 MET ME 1 30 TYR QD . . 4.360 3.281 2.692 3.946 . 0 0 "[ . 1 . 2]" 1
220 1 18 MET ME 1 30 TYR QE . . 4.150 3.904 3.441 4.364 0.214 8 0 "[ . 1 . 2]" 1
221 1 18 MET ME 1 31 ARG HA . . 4.010 3.963 3.526 4.170 0.160 20 0 "[ . 1 . 2]" 1
222 1 18 MET ME 1 31 ARG QB . . 2.930 2.168 2.014 2.369 . 0 0 "[ . 1 . 2]" 1
223 1 18 MET ME 1 31 ARG HD2 . . 4.220 3.386 2.251 4.092 . 0 0 "[ . 1 . 2]" 1
224 1 18 MET ME 1 31 ARG HD3 . . 4.350 2.873 2.066 4.534 0.184 10 0 "[ . 1 . 2]" 1
225 1 18 MET ME 1 31 ARG QG . . 3.730 3.468 2.979 3.699 . 0 0 "[ . 1 . 2]" 1
226 1 19 ILE H 1 19 ILE HB . . 3.610 2.555 2.372 2.991 . 0 0 "[ . 1 . 2]" 1
227 1 19 ILE HA 1 19 ILE MD . . 3.480 2.697 2.388 3.638 0.158 12 0 "[ . 1 . 2]" 1
228 1 19 ILE HA 1 19 ILE QG . . 4.010 2.889 2.742 3.160 . 0 0 "[ . 1 . 2]" 1
229 1 19 ILE HA 1 19 ILE MG . . 3.290 2.420 2.235 2.562 . 0 0 "[ . 1 . 2]" 1
230 1 19 ILE HA 1 20 HIS H . . 2.800 2.221 2.080 2.389 . 0 0 "[ . 1 . 2]" 1
231 1 19 ILE HB 1 20 HIS H . . 4.190 4.154 3.593 4.298 0.108 20 0 "[ . 1 . 2]" 1
232 1 19 ILE HB 1 20 HIS HA . . 4.980 4.876 4.466 5.131 0.151 15 0 "[ . 1 . 2]" 1
233 1 19 ILE HB 1 21 PHE QE . . 4.190 2.416 2.186 2.612 . 0 0 "[ . 1 . 2]" 1
234 1 19 ILE MD 1 19 ILE MG . . 3.190 1.993 1.901 2.089 . 0 0 "[ . 1 . 2]" 1
235 1 19 ILE MD 1 21 PHE QE . . 4.420 4.335 4.107 4.535 0.115 10 0 "[ . 1 . 2]" 1
236 1 19 ILE MD 1 88 ARG HA . . 4.520 4.052 3.430 4.622 0.102 7 0 "[ . 1 . 2]" 1
237 1 19 ILE MD 1 88 ARG HB2 . . 4.640 4.305 3.700 4.937 0.297 11 0 "[ . 1 . 2]" 1
238 1 19 ILE MD 1 88 ARG HB3 . . 3.740 2.806 2.100 3.912 0.172 7 0 "[ . 1 . 2]" 1
239 1 19 ILE MD 1 88 ARG HD2 . . 4.840 3.978 2.715 4.894 0.054 17 0 "[ . 1 . 2]" 1
240 1 19 ILE MD 1 88 ARG HD3 . . 4.670 3.745 2.341 5.054 0.384 20 0 "[ . 1 . 2]" 1
241 1 19 ILE MD 1 88 ARG HG2 . . 4.630 4.231 3.143 4.919 0.289 14 0 "[ . 1 . 2]" 1
242 1 19 ILE MD 1 88 ARG HG3 . . 4.720 3.698 2.269 4.607 . 0 0 "[ . 1 . 2]" 1
243 1 19 ILE MD 1 89 VAL HA . . 3.290 2.010 1.875 2.227 . 0 0 "[ . 1 . 2]" 1
244 1 19 ILE MD 1 89 VAL HB . . 4.390 3.876 3.447 4.415 0.025 10 0 "[ . 1 . 2]" 1
245 1 19 ILE MD 1 89 VAL QG . . 3.680 2.446 2.167 3.063 . 0 0 "[ . 1 . 2]" 1
246 1 19 ILE MD 1 92 GLN HB2 . . 4.350 2.844 2.262 3.335 . 0 0 "[ . 1 . 2]" 1
247 1 19 ILE MD 1 92 GLN HB3 . . 3.790 2.943 2.253 3.973 0.183 10 0 "[ . 1 . 2]" 1
248 1 19 ILE MD 1 92 GLN QG . . 4.230 2.708 2.143 3.331 . 0 0 "[ . 1 . 2]" 1
249 1 19 ILE QG 1 30 TYR QE . . 5.070 3.354 3.073 3.726 . 0 0 "[ . 1 . 2]" 1
250 1 19 ILE QG 1 89 VAL HA . . 4.860 3.061 2.591 3.473 . 0 0 "[ . 1 . 2]" 1
251 1 19 ILE QG 1 89 VAL QG . . 4.130 2.211 1.941 2.773 . 0 0 "[ . 1 . 2]" 1
252 1 19 ILE QG 1 92 GLN QG . . 4.980 4.694 4.165 5.095 0.115 9 0 "[ . 1 . 2]" 1
253 1 19 ILE MG 1 20 HIS HA . . 4.620 4.096 3.694 4.340 . 0 0 "[ . 1 . 2]" 1
254 1 19 ILE MG 1 20 HIS HB3 . . 5.300 5.286 4.987 5.468 0.168 17 0 "[ . 1 . 2]" 1
255 1 19 ILE MG 1 21 PHE HA . . 4.710 3.056 2.666 3.559 . 0 0 "[ . 1 . 2]" 1
256 1 19 ILE MG 1 21 PHE QE . . 3.970 3.086 2.878 3.594 . 0 0 "[ . 1 . 2]" 1
257 1 19 ILE MG 1 30 TYR QE . . 5.470 5.103 4.521 5.599 0.129 12 0 "[ . 1 . 2]" 1
258 1 19 ILE MG 1 88 ARG HA . . 4.670 4.348 3.922 4.815 0.145 7 0 "[ . 1 . 2]" 1
259 1 19 ILE MG 1 88 ARG HB2 . . 4.520 3.706 3.220 4.456 . 0 0 "[ . 1 . 2]" 1
260 1 19 ILE MG 1 88 ARG HB3 . . 4.200 2.568 2.011 3.845 . 0 0 "[ . 1 . 2]" 1
261 1 19 ILE MG 1 88 ARG HD2 . . 4.600 3.145 1.991 4.636 0.036 5 0 "[ . 1 . 2]" 1
262 1 19 ILE MG 1 88 ARG HD3 . . 4.620 3.253 2.259 4.150 . 0 0 "[ . 1 . 2]" 1
263 1 19 ILE MG 1 88 ARG HE . . 4.570 4.058 2.560 4.584 0.014 8 0 "[ . 1 . 2]" 1
264 1 19 ILE MG 1 88 ARG HG2 . . 4.070 3.154 2.039 4.118 0.048 8 0 "[ . 1 . 2]" 1
265 1 19 ILE MG 1 88 ARG HG3 . . 4.670 2.734 2.225 3.089 . 0 0 "[ . 1 . 2]" 1
266 1 19 ILE MG 1 89 VAL QG . . 4.820 3.935 3.495 4.532 . 0 0 "[ . 1 . 2]" 1
267 1 19 ILE MG 1 92 GLN QG . . 5.210 3.960 3.479 4.493 . 0 0 "[ . 1 . 2]" 1
268 1 20 HIS H 1 20 HIS HB2 . . 3.440 2.453 2.260 2.712 . 0 0 "[ . 1 . 2]" 1
269 1 20 HIS H 1 20 HIS HB3 . . 3.710 3.629 3.481 3.803 0.093 2 0 "[ . 1 . 2]" 1
270 1 20 HIS H 1 21 PHE H . . 4.910 3.812 2.171 4.211 . 0 0 "[ . 1 . 2]" 1
271 1 20 HIS HA 1 21 PHE H . . 3.170 2.342 2.093 3.268 0.098 12 0 "[ . 1 . 2]" 1
272 1 20 HIS HA 1 21 PHE QD . . 4.380 4.097 2.892 4.526 0.146 15 0 "[ . 1 . 2]" 1
273 1 20 HIS HA 1 22 GLY H . . 4.360 3.445 2.941 4.283 . 0 0 "[ . 1 . 2]" 1
274 1 20 HIS HB2 1 20 HIS HD2 . . 3.900 3.062 2.537 3.872 . 0 0 "[ . 1 . 2]" 1
275 1 20 HIS HB2 1 22 GLY H . . 4.940 4.759 3.558 5.558 0.618 16 1 "[ . 1 .+ 2]" 1
276 1 20 HIS HB3 1 21 PHE H . . 3.880 4.069 3.895 4.337 0.457 19 0 "[ . 1 . 2]" 1
277 1 21 PHE H 1 21 PHE HB2 . . 3.820 2.383 2.172 3.236 . 0 0 "[ . 1 . 2]" 1
278 1 21 PHE H 1 22 GLY H . . 3.490 2.626 2.106 3.255 . 0 0 "[ . 1 . 2]" 1
279 1 21 PHE H 1 23 ASN H . . 4.590 4.599 4.029 4.704 0.114 4 0 "[ . 1 . 2]" 1
280 1 21 PHE HA 1 21 PHE QD . . 3.690 2.830 2.637 2.991 . 0 0 "[ . 1 . 2]" 1
281 1 21 PHE HA 1 21 PHE QE . . 4.920 4.514 4.348 4.702 . 0 0 "[ . 1 . 2]" 1
282 1 21 PHE HA 1 23 ASN H . . 4.980 4.286 4.014 4.720 . 0 0 "[ . 1 . 2]" 1
283 1 21 PHE HB2 1 22 GLY H . . 4.450 3.063 2.628 3.578 . 0 0 "[ . 1 . 2]" 1
284 1 21 PHE HB2 1 23 ASN H . . 3.980 3.186 2.767 3.597 . 0 0 "[ . 1 . 2]" 1
285 1 21 PHE HB2 1 26 GLU HB2 . . 4.160 2.530 2.163 3.193 . 0 0 "[ . 1 . 2]" 1
286 1 21 PHE HB2 1 26 GLU HB3 . . 4.920 2.805 2.409 3.505 . 0 0 "[ . 1 . 2]" 1
287 1 21 PHE HB3 1 22 GLY H . . 4.280 3.774 3.464 4.135 . 0 0 "[ . 1 . 2]" 1
288 1 21 PHE HB3 1 23 ASN H . . 4.180 2.966 2.828 3.417 . 0 0 "[ . 1 . 2]" 1
289 1 21 PHE HB3 1 26 GLU HB2 . . 4.520 2.317 2.144 2.629 . 0 0 "[ . 1 . 2]" 1
290 1 21 PHE HB3 1 26 GLU HB3 . . 4.850 2.362 2.232 2.583 . 0 0 "[ . 1 . 2]" 1
291 1 21 PHE QE 1 88 ARG HB2 . . 5.050 2.468 2.199 2.969 . 0 0 "[ . 1 . 2]" 1
292 1 21 PHE QE 1 88 ARG HB3 . . 4.900 3.151 2.729 3.487 . 0 0 "[ . 1 . 2]" 1
293 1 21 PHE QE 1 88 ARG HD2 . . 4.740 4.225 3.922 4.797 0.057 11 0 "[ . 1 . 2]" 1
294 1 21 PHE QE 1 88 ARG HD3 . . 4.580 3.952 2.455 4.811 0.231 9 0 "[ . 1 . 2]" 1
295 1 21 PHE QE 1 88 ARG HG2 . . 4.760 3.261 2.549 3.915 . 0 0 "[ . 1 . 2]" 1
296 1 21 PHE QE 1 88 ARG HG3 . . 4.570 3.245 2.158 4.640 0.070 12 0 "[ . 1 . 2]" 1
297 1 22 GLY H 1 23 ASN H . . 3.160 2.952 2.303 3.265 0.105 3 0 "[ . 1 . 2]" 1
298 1 23 ASN H 1 23 ASN QB . . 3.700 2.221 1.915 2.574 . 0 0 "[ . 1 . 2]" 1
299 1 23 ASN H 1 23 ASN QD . . 4.800 4.107 2.789 4.574 . 0 0 "[ . 1 . 2]" 1
300 1 23 ASN H 1 24 ASP H . . 4.500 4.547 4.391 4.602 0.102 18 0 "[ . 1 . 2]" 1
301 1 23 ASN H 1 26 GLU H . . 4.870 4.441 3.748 4.899 0.029 20 0 "[ . 1 . 2]" 1
302 1 23 ASN H 1 26 GLU HB2 . . 4.660 3.054 2.688 3.396 . 0 0 "[ . 1 . 2]" 1
303 1 23 ASN H 1 27 ASP H . . 4.890 4.688 4.102 5.311 0.421 20 0 "[ . 1 . 2]" 1
304 1 23 ASN HA 1 24 ASP H . . 2.900 2.321 2.161 2.564 . 0 0 "[ . 1 . 2]" 1
305 1 23 ASN HA 1 24 ASP QB . . 4.760 4.357 3.982 4.938 0.178 8 0 "[ . 1 . 2]" 1
306 1 23 ASN HA 1 25 TRP H . . 4.800 4.440 3.857 4.847 0.047 20 0 "[ . 1 . 2]" 1
307 1 23 ASN QB 1 24 ASP H . . 3.500 2.915 2.560 3.612 0.112 4 0 "[ . 1 . 2]" 1
308 1 23 ASN QB 1 25 TRP H . . 4.220 2.982 2.102 3.905 . 0 0 "[ . 1 . 2]" 1
309 1 23 ASN QB 1 25 TRP HD1 . . 4.030 3.515 2.532 4.040 0.010 4 0 "[ . 1 . 2]" 1
310 1 23 ASN QB 1 25 TRP HE1 . . 5.050 3.743 2.797 4.457 . 0 0 "[ . 1 . 2]" 1
311 1 23 ASN QB 1 26 GLU H . . 4.490 2.081 1.723 2.737 . 0 0 "[ . 1 . 2]" 1
312 1 23 ASN QB 1 26 GLU HB2 . . 4.040 2.090 1.956 2.221 . 0 0 "[ . 1 . 2]" 1
313 1 23 ASN QB 1 26 GLU HB3 . . 4.540 3.529 3.332 3.812 . 0 0 "[ . 1 . 2]" 1
314 1 23 ASN QB 1 26 GLU QG . . 4.750 2.322 2.053 2.565 . 0 0 "[ . 1 . 2]" 1
315 1 23 ASN QD 1 25 TRP HE1 . . 3.290 2.706 2.212 3.284 . 0 0 "[ . 1 . 2]" 1
316 1 24 ASP H 1 24 ASP QB . . 3.010 2.359 2.080 3.041 0.031 8 0 "[ . 1 . 2]" 1
317 1 24 ASP H 1 25 TRP H . . 3.540 2.741 2.377 3.217 . 0 0 "[ . 1 . 2]" 1
318 1 24 ASP H 1 26 GLU H . . 4.930 4.066 3.747 4.297 . 0 0 "[ . 1 . 2]" 1
319 1 24 ASP HA 1 24 ASP QB . . 2.800 2.362 2.130 2.618 . 0 0 "[ . 1 . 2]" 1
320 1 24 ASP HA 1 27 ASP H . . 3.950 4.032 3.899 4.061 0.111 7 0 "[ . 1 . 2]" 1
321 1 24 ASP HA 1 28 ARG H . . 4.740 4.287 4.053 4.529 . 0 0 "[ . 1 . 2]" 1
322 1 24 ASP QB 1 25 TRP H . . 3.450 2.543 2.037 3.189 . 0 0 "[ . 1 . 2]" 1
323 1 24 ASP QB 1 25 TRP HA . . 4.680 4.028 3.417 4.640 . 0 0 "[ . 1 . 2]" 1
324 1 24 ASP QB 1 25 TRP HD1 . . 4.430 4.002 3.464 4.629 0.199 4 0 "[ . 1 . 2]" 1
325 1 25 TRP H 1 25 TRP QB . . 3.080 2.643 2.486 2.886 . 0 0 "[ . 1 . 2]" 1
326 1 25 TRP H 1 26 GLU H . . 3.460 2.576 2.141 2.814 . 0 0 "[ . 1 . 2]" 1
327 1 25 TRP H 1 27 ASP H . . 4.950 4.052 3.564 4.426 . 0 0 "[ . 1 . 2]" 1
328 1 25 TRP HA 1 28 ARG H . . 4.190 2.894 2.605 3.195 . 0 0 "[ . 1 . 2]" 1
329 1 25 TRP HA 1 28 ARG QB . . 3.550 2.217 1.982 3.223 . 0 0 "[ . 1 . 2]" 1
330 1 25 TRP HA 1 28 ARG QD . . 4.650 3.576 2.504 4.454 . 0 0 "[ . 1 . 2]" 1
331 1 25 TRP HA 1 28 ARG HG2 . . 4.840 4.291 2.175 5.319 0.479 19 0 "[ . 1 . 2]" 1
332 1 25 TRP QB 1 25 TRP HD1 . . 3.150 2.734 2.647 2.846 . 0 0 "[ . 1 . 2]" 1
333 1 25 TRP QB 1 25 TRP HE1 . . 4.840 4.523 4.466 4.613 . 0 0 "[ . 1 . 2]" 1
334 1 25 TRP HH2 1 81 THR MG . . 4.750 2.274 2.058 2.972 . 0 0 "[ . 1 . 2]" 1
335 1 25 TRP HZ2 1 26 GLU QG . . 4.540 2.838 2.730 2.992 . 0 0 "[ . 1 . 2]" 1
336 1 25 TRP HZ3 1 26 GLU HA . . 4.020 3.438 3.405 3.449 . 0 0 "[ . 1 . 2]" 1
337 1 25 TRP HZ3 1 26 GLU QG . . 3.970 3.643 3.484 3.817 . 0 0 "[ . 1 . 2]" 1
338 1 25 TRP HZ3 1 81 THR MG . . 4.820 2.273 2.028 2.618 . 0 0 "[ . 1 . 2]" 1
339 1 25 TRP HZ3 1 85 MET ME . . 4.840 2.206 1.950 2.532 . 0 0 "[ . 1 . 2]" 1
340 1 26 GLU H 1 26 GLU HB2 . . 3.650 2.435 2.293 2.650 . 0 0 "[ . 1 . 2]" 1
341 1 26 GLU H 1 26 GLU HB3 . . 4.030 3.615 3.569 3.691 . 0 0 "[ . 1 . 2]" 1
342 1 26 GLU H 1 27 ASP H . . 3.500 2.630 2.326 2.910 . 0 0 "[ . 1 . 2]" 1
343 1 26 GLU HA 1 26 GLU QG . . 3.880 2.262 2.142 2.470 . 0 0 "[ . 1 . 2]" 1
344 1 26 GLU HA 1 29 TYR H . . 4.070 4.038 3.642 4.408 0.338 11 0 "[ . 1 . 2]" 1
345 1 26 GLU HA 1 29 TYR HB2 . . 4.260 4.160 3.462 4.589 0.329 3 0 "[ . 1 . 2]" 1
346 1 26 GLU HA 1 29 TYR HB3 . . 3.940 3.084 2.643 3.472 . 0 0 "[ . 1 . 2]" 1
347 1 26 GLU HA 1 30 TYR H . . 5.110 3.931 3.773 4.177 . 0 0 "[ . 1 . 2]" 1
348 1 26 GLU HA 1 85 MET ME . . 3.480 2.028 1.886 2.402 . 0 0 "[ . 1 . 2]" 1
349 1 26 GLU HB2 1 27 ASP H . . 3.870 3.053 2.737 3.280 . 0 0 "[ . 1 . 2]" 1
350 1 26 GLU HB3 1 27 ASP H . . 4.650 3.880 3.601 4.118 . 0 0 "[ . 1 . 2]" 1
351 1 26 GLU HB3 1 27 ASP HB2 . . 4.970 5.125 4.886 5.155 0.185 10 0 "[ . 1 . 2]" 1
352 1 26 GLU HB3 1 85 MET ME . . 3.190 2.739 2.321 3.184 . 0 0 "[ . 1 . 2]" 1
353 1 27 ASP H 1 27 ASP HB2 . . 3.740 2.114 1.860 2.375 . 0 0 "[ . 1 . 2]" 1
354 1 27 ASP H 1 27 ASP HB3 . . 3.470 2.801 2.136 3.255 . 0 0 "[ . 1 . 2]" 1
355 1 27 ASP H 1 28 ARG H . . 3.550 2.336 2.186 2.441 . 0 0 "[ . 1 . 2]" 1
356 1 28 ARG H 1 28 ARG QB . . 3.010 2.241 2.160 2.331 . 0 0 "[ . 1 . 2]" 1
357 1 28 ARG H 1 28 ARG HG2 . . 4.280 4.249 2.973 4.397 0.117 2 0 "[ . 1 . 2]" 1
358 1 28 ARG H 1 28 ARG HG3 . . 4.570 4.433 4.212 4.624 0.054 8 0 "[ . 1 . 2]" 1
359 1 28 ARG H 1 29 TYR H . . 3.600 2.799 2.667 2.983 . 0 0 "[ . 1 . 2]" 1
360 1 28 ARG HA 1 28 ARG QD . . 4.260 4.093 3.688 4.319 0.059 8 0 "[ . 1 . 2]" 1
361 1 28 ARG HA 1 28 ARG HG2 . . 3.830 3.083 2.169 3.736 . 0 0 "[ . 1 . 2]" 1
362 1 28 ARG HA 1 28 ARG HG3 . . 3.680 2.772 2.386 3.768 0.088 7 0 "[ . 1 . 2]" 1
363 1 28 ARG HA 1 31 ARG H . . 4.030 3.585 3.349 4.098 0.068 20 0 "[ . 1 . 2]" 1
364 1 28 ARG HA 1 31 ARG QB . . 3.600 4.005 3.572 4.380 0.780 11 7 "[ -. *1+ ** * *]" 1
365 1 28 ARG HA 1 31 ARG HD2 . . 4.850 4.575 4.038 5.002 0.152 11 0 "[ . 1 . 2]" 1
366 1 28 ARG HA 1 31 ARG HD3 . . 4.540 3.577 2.689 4.131 . 0 0 "[ . 1 . 2]" 1
367 1 28 ARG HA 1 32 GLU HG3 . . 4.880 4.388 3.676 5.057 0.177 19 0 "[ . 1 . 2]" 1
368 1 28 ARG QB 1 28 ARG QD . . 3.310 2.225 2.046 2.514 . 0 0 "[ . 1 . 2]" 1
369 1 28 ARG QB 1 28 ARG HE . . 4.650 3.351 2.096 4.086 . 0 0 "[ . 1 . 2]" 1
370 1 28 ARG QB 1 29 TYR H . . 3.430 2.513 2.061 3.537 0.107 1 0 "[ . 1 . 2]" 1
371 1 28 ARG HG3 1 29 TYR H . . 4.430 4.445 3.248 5.243 0.813 19 2 "[ . 1 -. +2]" 1
372 1 28 ARG HG3 1 32 GLU HG2 . . 5.010 4.275 2.816 5.370 0.360 14 0 "[ . 1 . 2]" 1
373 1 28 ARG HG3 1 32 GLU HG3 . . 5.090 3.547 2.562 5.199 0.109 19 0 "[ . 1 . 2]" 1
374 1 29 TYR H 1 29 TYR HB2 . . 3.380 2.360 2.271 2.537 . 0 0 "[ . 1 . 2]" 1
375 1 29 TYR H 1 29 TYR HB3 . . 3.520 2.495 2.302 2.692 . 0 0 "[ . 1 . 2]" 1
376 1 29 TYR H 1 30 TYR H . . 3.620 2.764 2.553 3.042 . 0 0 "[ . 1 . 2]" 1
377 1 29 TYR HA 1 29 TYR QD . . 3.690 2.693 2.268 3.196 . 0 0 "[ . 1 . 2]" 1
378 1 29 TYR HA 1 30 TYR HA . . 4.640 4.812 4.803 4.822 0.182 5 0 "[ . 1 . 2]" 1
379 1 29 TYR HA 1 30 TYR HB3 . . 5.400 5.780 5.591 5.891 0.491 13 0 "[ . 1 . 2]" 1
380 1 29 TYR HA 1 32 GLU H . . 4.300 3.825 3.532 4.140 . 0 0 "[ . 1 . 2]" 1
381 1 29 TYR HA 1 32 GLU QB . . 3.920 2.884 2.463 3.298 . 0 0 "[ . 1 . 2]" 1
382 1 29 TYR HA 1 33 ASN HD21 . . 5.040 3.805 2.865 4.921 . 0 0 "[ . 1 . 2]" 1
383 1 29 TYR HB2 1 30 TYR H . . 4.150 3.811 3.558 4.006 . 0 0 "[ . 1 . 2]" 1
384 1 29 TYR HB2 1 85 MET ME . . 5.220 3.712 3.322 4.669 . 0 0 "[ . 1 . 2]" 1
385 1 29 TYR HB3 1 30 TYR H . . 3.920 2.511 2.167 2.821 . 0 0 "[ . 1 . 2]" 1
386 1 29 TYR HB3 1 85 MET ME . . 4.970 2.295 2.009 3.306 . 0 0 "[ . 1 . 2]" 1
387 1 29 TYR QD 1 30 TYR HA . . 3.940 3.575 2.715 4.152 0.212 3 0 "[ . 1 . 2]" 1
388 1 29 TYR QD 1 30 TYR HB2 . . 4.920 4.283 3.609 4.841 . 0 0 "[ . 1 . 2]" 1
389 1 29 TYR QD 1 30 TYR HB3 . . 4.990 5.263 4.612 5.828 0.838 3 5 "[ -+ . 1 *** 2]" 1
390 1 29 TYR QD 1 81 THR MG . . 4.220 3.239 2.904 3.631 . 0 0 "[ . 1 . 2]" 1
391 1 29 TYR QD 1 85 MET ME . . 3.120 2.264 2.116 2.872 . 0 0 "[ . 1 . 2]" 1
392 1 29 TYR QD 1 85 MET HG2 . . 4.470 4.230 3.306 4.877 0.407 1 0 "[ . 1 . 2]" 1
393 1 29 TYR QD 1 85 MET HG3 . . 4.270 3.476 2.262 4.537 0.267 10 0 "[ . 1 . 2]" 1
394 1 29 TYR QE 1 81 THR HB . . 4.270 3.730 3.194 4.289 0.019 19 0 "[ . 1 . 2]" 1
395 1 29 TYR QE 1 81 THR MG . . 3.410 2.446 2.089 2.779 . 0 0 "[ . 1 . 2]" 1
396 1 29 TYR QE 1 82 ASP HA . . 3.750 3.351 2.427 3.799 0.049 18 0 "[ . 1 . 2]" 1
397 1 29 TYR QE 1 85 MET ME . . 4.210 3.636 3.404 3.959 . 0 0 "[ . 1 . 2]" 1
398 1 29 TYR QE 1 85 MET HG3 . . 4.050 3.589 2.551 4.973 0.923 10 1 "[ . + . 2]" 1
399 1 30 TYR H 1 30 TYR HB2 . . 3.500 2.606 2.500 2.790 . 0 0 "[ . 1 . 2]" 1
400 1 30 TYR H 1 30 TYR HB3 . . 3.540 2.386 2.279 2.494 . 0 0 "[ . 1 . 2]" 1
401 1 30 TYR H 1 31 ARG H . . 3.860 3.006 2.845 3.164 . 0 0 "[ . 1 . 2]" 1
402 1 30 TYR HA 1 30 TYR QD . . 3.450 2.765 2.314 3.166 . 0 0 "[ . 1 . 2]" 1
403 1 30 TYR HA 1 30 TYR QE . . 5.020 4.724 4.603 4.960 . 0 0 "[ . 1 . 2]" 1
404 1 30 TYR HA 1 33 ASN QB . . 4.960 4.227 3.116 4.979 0.019 12 0 "[ . 1 . 2]" 1
405 1 30 TYR HA 1 85 MET ME . . 4.300 3.909 3.149 4.458 0.158 8 0 "[ . 1 . 2]" 1
406 1 30 TYR HB2 1 31 ARG H . . 4.340 3.891 3.708 3.979 . 0 0 "[ . 1 . 2]" 1
407 1 30 TYR HB2 1 85 MET ME . . 4.110 3.110 2.490 3.603 . 0 0 "[ . 1 . 2]" 1
408 1 30 TYR HB3 1 31 ARG H . . 3.790 2.464 2.262 2.579 . 0 0 "[ . 1 . 2]" 1
409 1 30 TYR HB3 1 85 MET ME . . 4.420 4.066 3.495 4.546 0.126 8 0 "[ . 1 . 2]" 1
410 1 30 TYR QD 1 31 ARG HA . . 4.500 3.438 2.607 4.466 . 0 0 "[ . 1 . 2]" 1
411 1 30 TYR QD 1 31 ARG QB . . 5.500 3.214 2.604 3.950 . 0 0 "[ . 1 . 2]" 1
412 1 30 TYR QD 1 37 TYR QD . . 3.950 3.549 2.972 4.122 0.172 12 0 "[ . 1 . 2]" 1
413 1 30 TYR QD 1 37 TYR QE . . 3.660 2.390 2.154 2.849 . 0 0 "[ . 1 . 2]" 1
414 1 30 TYR QD 1 85 MET QB . . 3.880 2.791 2.254 3.346 . 0 0 "[ . 1 . 2]" 1
415 1 30 TYR QD 1 85 MET ME . . 4.520 4.426 3.779 4.766 0.246 19 0 "[ . 1 . 2]" 1
416 1 30 TYR QD 1 85 MET HG2 . . 5.220 4.792 2.783 5.599 0.379 15 0 "[ . 1 . 2]" 1
417 1 30 TYR QD 1 89 VAL QG . . 4.680 3.687 2.907 4.281 . 0 0 "[ . 1 . 2]" 1
418 1 30 TYR QE 1 34 MET HA . . 4.570 3.640 3.046 4.414 . 0 0 "[ . 1 . 2]" 1
419 1 30 TYR QE 1 34 MET ME . . 4.420 2.388 2.006 2.754 . 0 0 "[ . 1 . 2]" 1
420 1 30 TYR QE 1 34 MET HG3 . . 5.130 5.359 4.858 5.896 0.766 7 2 "[ . + -1 . 2]" 1
421 1 30 TYR QE 1 37 TYR QD . . 3.260 2.618 2.229 2.953 . 0 0 "[ . 1 . 2]" 1
422 1 30 TYR QE 1 37 TYR QE . . 4.220 3.393 2.392 4.111 . 0 0 "[ . 1 . 2]" 1
423 1 30 TYR QE 1 89 VAL HB . . 4.370 3.450 2.592 3.992 . 0 0 "[ . 1 . 2]" 1
424 1 30 TYR QE 1 89 VAL QG . . 3.550 2.161 1.922 2.745 . 0 0 "[ . 1 . 2]" 1
425 1 31 ARG H 1 31 ARG QB . . 3.320 2.412 2.240 2.555 . 0 0 "[ . 1 . 2]" 1
426 1 31 ARG HA 1 31 ARG HD2 . . 4.830 4.635 4.142 4.874 0.044 3 0 "[ . 1 . 2]" 1
427 1 31 ARG HA 1 31 ARG HD3 . . 4.710 4.866 4.034 5.057 0.347 8 0 "[ . 1 . 2]" 1
428 1 31 ARG HA 1 31 ARG QG . . 3.810 3.285 1.953 3.416 . 0 0 "[ . 1 . 2]" 1
429 1 31 ARG HA 1 34 MET H . . 4.590 3.555 3.166 4.510 . 0 0 "[ . 1 . 2]" 1
430 1 31 ARG HA 1 34 MET HB3 . . 4.760 2.977 2.193 4.933 0.173 20 0 "[ . 1 . 2]" 1
431 1 31 ARG HA 1 34 MET ME . . 3.530 2.633 1.933 3.732 0.202 20 0 "[ . 1 . 2]" 1
432 1 31 ARG HA 1 34 MET HG2 . . 4.690 3.045 2.246 3.714 . 0 0 "[ . 1 . 2]" 1
433 1 31 ARG HA 1 34 MET HG3 . . 4.970 4.424 3.972 5.155 0.185 20 0 "[ . 1 . 2]" 1
434 1 31 ARG QB 1 32 GLU H . . 3.960 3.663 3.561 3.773 . 0 0 "[ . 1 . 2]" 1
435 1 31 ARG HE 1 34 MET ME . . 4.450 6.900 4.717 8.111 3.661 12 18 "[******* *1*+-*******]" 1
436 1 31 ARG QG 1 32 GLU HA . . 3.790 3.628 3.371 3.916 0.126 2 0 "[ . 1 . 2]" 1
437 1 31 ARG QG 1 34 MET H . . 4.330 5.445 5.185 5.739 1.409 20 20 [****************-**+] 1
438 1 31 ARG QG 1 34 MET ME . . 3.320 4.883 3.953 6.011 2.691 12 20 [***********+-*******] 1
439 1 32 GLU H 1 32 GLU QB . . 3.130 2.359 2.136 2.476 . 0 0 "[ . 1 . 2]" 1
440 1 32 GLU H 1 33 ASN H . . 3.510 2.684 2.428 2.839 . 0 0 "[ . 1 . 2]" 1
441 1 32 GLU HA 1 32 GLU HG3 . . 3.210 3.488 3.008 3.688 0.478 5 0 "[ . 1 . 2]" 1
442 1 32 GLU HA 1 33 ASN HA . . 4.950 4.582 4.373 4.749 . 0 0 "[ . 1 . 2]" 1
443 1 32 GLU HA 1 35 TYR QE . . 4.390 3.989 3.150 4.396 0.006 15 0 "[ . 1 . 2]" 1
444 1 32 GLU QB 1 33 ASN H . . 3.890 3.062 2.292 3.548 . 0 0 "[ . 1 . 2]" 1
445 1 32 GLU QB 1 33 ASN HD21 . . 5.100 3.610 2.619 5.014 . 0 0 "[ . 1 . 2]" 1
446 1 32 GLU QB 1 33 ASN HD22 . . 4.900 4.031 2.771 4.915 0.015 2 0 "[ . 1 . 2]" 1
447 1 33 ASN H 1 33 ASN QB . . 3.650 2.851 2.318 3.304 . 0 0 "[ . 1 . 2]" 1
448 1 33 ASN H 1 33 ASN HD21 . . 4.110 3.538 2.583 4.219 0.109 14 0 "[ . 1 . 2]" 1
449 1 33 ASN H 1 33 ASN HD22 . . 4.620 4.181 3.628 4.719 0.099 17 0 "[ . 1 . 2]" 1
450 1 33 ASN H 1 34 MET H . . 3.060 2.167 1.849 2.739 . 0 0 "[ . 1 . 2]" 1
451 1 33 ASN H 1 34 MET HA . . 4.960 4.420 4.164 4.978 0.018 2 0 "[ . 1 . 2]" 1
452 1 33 ASN HA 1 35 TYR H . . 4.880 3.609 3.167 3.858 . 0 0 "[ . 1 . 2]" 1
453 1 33 ASN HA 1 35 TYR QD . . 4.270 3.580 2.895 3.886 . 0 0 "[ . 1 . 2]" 1
454 1 33 ASN HA 1 35 TYR QE . . 3.470 2.754 2.349 3.402 . 0 0 "[ . 1 . 2]" 1
455 1 33 ASN HA 1 36 ARG HD2 . . 4.860 4.175 3.049 5.031 0.171 2 0 "[ . 1 . 2]" 1
456 1 33 ASN HA 1 36 ARG HD3 . . 4.360 3.912 2.950 4.519 0.159 3 0 "[ . 1 . 2]" 1
457 1 33 ASN QB 1 35 TYR QE . . 4.830 4.264 3.770 5.046 0.216 5 0 "[ . 1 . 2]" 1
458 1 33 ASN QB 1 36 ARG HB2 . . 5.050 3.447 2.656 4.152 . 0 0 "[ . 1 . 2]" 1
459 1 34 MET H 1 34 MET HB2 . . 4.010 3.575 3.511 3.636 . 0 0 "[ . 1 . 2]" 1
460 1 34 MET H 1 34 MET HB3 . . 3.610 2.479 2.318 2.629 . 0 0 "[ . 1 . 2]" 1
461 1 34 MET H 1 35 TYR H . . 4.730 3.090 3.004 3.175 . 0 0 "[ . 1 . 2]" 1
462 1 34 MET HA 1 34 MET ME . . 4.280 4.231 4.062 4.429 0.149 10 0 "[ . 1 . 2]" 1
463 1 34 MET HA 1 37 TYR H . . 4.290 3.715 3.110 4.109 . 0 0 "[ . 1 . 2]" 1
464 1 34 MET HA 1 37 TYR QB . . 4.510 3.703 2.967 4.109 . 0 0 "[ . 1 . 2]" 1
465 1 34 MET HA 1 37 TYR QD . . 3.500 2.433 2.093 3.226 . 0 0 "[ . 1 . 2]" 1
466 1 34 MET HA 1 37 TYR QE . . 4.100 2.989 2.282 3.685 . 0 0 "[ . 1 . 2]" 1
467 1 34 MET HB2 1 34 MET ME . . 3.250 2.383 2.147 2.751 . 0 0 "[ . 1 . 2]" 1
468 1 34 MET HB2 1 35 TYR H . . 4.800 3.985 3.717 4.346 . 0 0 "[ . 1 . 2]" 1
469 1 34 MET HB3 1 34 MET ME . . 2.910 2.414 2.132 2.866 . 0 0 "[ . 1 . 2]" 1
470 1 34 MET HB3 1 35 TYR H . . 4.620 4.255 4.043 4.487 . 0 0 "[ . 1 . 2]" 1
471 1 34 MET ME 1 35 TYR QE . . 4.360 6.424 4.506 7.486 3.126 15 18 "[*********1****+*** -]" 1
472 1 35 TYR H 1 35 TYR HB2 . . 3.720 3.487 3.121 3.659 . 0 0 "[ . 1 . 2]" 1
473 1 35 TYR H 1 35 TYR HB3 . . 3.670 2.841 2.531 3.412 . 0 0 "[ . 1 . 2]" 1
474 1 35 TYR H 1 36 ARG H . . 3.560 2.653 1.894 2.852 . 0 0 "[ . 1 . 2]" 1
475 1 35 TYR HA 1 35 TYR QD . . 3.680 3.674 3.072 3.802 0.122 13 0 "[ . 1 . 2]" 1
476 1 35 TYR HA 1 37 TYR H . . 4.510 3.969 3.452 4.445 . 0 0 "[ . 1 . 2]" 1
477 1 35 TYR QD 1 36 ARG HD2 . . 4.560 3.901 2.357 4.546 . 0 0 "[ . 1 . 2]" 1
478 1 35 TYR QD 1 36 ARG QG . . 4.490 2.795 2.307 3.257 . 0 0 "[ . 1 . 2]" 1
479 1 35 TYR QE 1 36 ARG HA . . 5.030 5.173 4.353 7.141 2.111 19 5 "[ * *- . +*]" 1
480 1 35 TYR QE 1 36 ARG HD2 . . 4.510 3.431 2.365 5.375 0.865 19 1 "[ . 1 . +2]" 1
481 1 35 TYR QE 1 36 ARG QG . . 4.460 3.034 2.408 4.752 0.292 19 0 "[ . 1 . 2]" 1
482 1 36 ARG H 1 36 ARG HB2 . . 4.080 2.482 2.284 2.715 . 0 0 "[ . 1 . 2]" 1
483 1 36 ARG H 1 36 ARG HB3 . . 3.600 3.610 3.530 3.662 0.062 19 0 "[ . 1 . 2]" 1
484 1 36 ARG H 1 36 ARG QG . . 3.770 2.284 2.088 2.488 . 0 0 "[ . 1 . 2]" 1
485 1 36 ARG H 1 37 TYR H . . 3.500 2.492 2.299 2.814 . 0 0 "[ . 1 . 2]" 1
486 1 36 ARG H 1 37 TYR QB . . 4.440 4.502 4.332 4.558 0.118 6 0 "[ . 1 . 2]" 1
487 1 36 ARG HA 1 36 ARG HD2 . . 4.830 4.105 2.287 4.979 0.149 5 0 "[ . 1 . 2]" 1
488 1 36 ARG HA 1 36 ARG HE . . 5.010 3.986 2.686 4.877 . 0 0 "[ . 1 . 2]" 1
489 1 36 ARG HA 1 36 ARG QG . . 3.530 2.653 2.302 3.269 . 0 0 "[ . 1 . 2]" 1
490 1 36 ARG HB2 1 36 ARG HE . . 4.540 3.715 2.227 4.479 . 0 0 "[ . 1 . 2]" 1
491 1 36 ARG QG 1 37 TYR H . . 5.500 4.178 3.885 4.510 . 0 0 "[ . 1 . 2]" 1
492 1 37 TYR H 1 37 TYR QB . . 3.610 2.436 2.311 2.619 . 0 0 "[ . 1 . 2]" 1
493 1 37 TYR HA 1 37 TYR QD . . 3.030 2.268 2.125 2.452 . 0 0 "[ . 1 . 2]" 1
494 1 37 TYR HA 1 37 TYR QE . . 4.700 4.482 4.335 4.638 . 0 0 "[ . 1 . 2]" 1
495 1 37 TYR HA 1 38 PRO QD . . 3.670 2.149 2.002 2.292 . 0 0 "[ . 1 . 2]" 1
496 1 37 TYR HA 1 38 PRO QG . . 5.030 4.041 3.826 4.253 . 0 0 "[ . 1 . 2]" 1
497 1 37 TYR HA 1 86 MET ME . . 4.840 4.520 2.894 5.030 0.190 3 0 "[ . 1 . 2]" 1
498 1 37 TYR QB 1 89 VAL QG . . 3.970 2.760 2.353 3.095 . 0 0 "[ . 1 . 2]" 1
499 1 37 TYR QD 1 38 PRO QD . . 4.400 3.321 2.694 3.624 . 0 0 "[ . 1 . 2]" 1
500 1 37 TYR QD 1 78 PHE QE . . 3.960 2.951 2.142 3.926 . 0 0 "[ . 1 . 2]" 1
501 1 37 TYR QD 1 85 MET QB . . 4.200 4.111 3.538 4.589 0.389 10 0 "[ . 1 . 2]" 1
502 1 37 TYR QD 1 86 MET HA . . 3.960 4.277 3.451 4.433 0.473 3 0 "[ . 1 . 2]" 1
503 1 37 TYR QD 1 86 MET QB . . 5.500 4.476 2.217 5.235 . 0 0 "[ . 1 . 2]" 1
504 1 37 TYR QD 1 86 MET ME . . 4.350 3.622 1.998 4.341 . 0 0 "[ . 1 . 2]" 1
505 1 37 TYR QD 1 86 MET QG . . 5.200 3.228 2.296 4.083 . 0 0 "[ . 1 . 2]" 1
506 1 37 TYR QD 1 89 VAL QG . . 3.890 3.130 2.492 3.517 . 0 0 "[ . 1 . 2]" 1
507 1 37 TYR QE 1 78 PHE QE . . 4.200 3.724 3.102 4.197 . 0 0 "[ . 1 . 2]" 1
508 1 37 TYR QE 1 82 ASP HA . . 4.210 3.622 3.093 3.966 . 0 0 "[ . 1 . 2]" 1
509 1 37 TYR QE 1 82 ASP QB . . 3.530 2.382 2.055 2.724 . 0 0 "[ . 1 . 2]" 1
510 1 37 TYR QE 1 85 MET QB . . 3.630 2.831 2.329 3.224 . 0 0 "[ . 1 . 2]" 1
511 1 37 TYR QE 1 86 MET HA . . 4.390 4.716 3.877 5.220 0.830 2 5 "[ + . * 1 -*. *2]" 1
512 1 37 TYR QE 1 86 MET ME . . 4.410 4.067 3.121 4.598 0.188 4 0 "[ . 1 . 2]" 1
513 1 37 TYR QE 1 86 MET QG . . 4.300 2.948 2.218 3.509 . 0 0 "[ . 1 . 2]" 1
514 1 37 TYR QE 1 89 VAL QG . . 4.650 4.158 3.061 4.683 0.033 7 0 "[ . 1 . 2]" 1
515 1 38 PRO HA 1 39 ASN H . . 2.970 2.297 2.143 2.492 . 0 0 "[ . 1 . 2]" 1
516 1 38 PRO HA 1 40 GLN H . . 3.960 3.779 3.163 4.051 0.091 17 0 "[ . 1 . 2]" 1
517 1 38 PRO QB 1 39 ASN H . . 4.090 2.904 2.405 3.371 . 0 0 "[ . 1 . 2]" 1
518 1 38 PRO QB 1 40 GLN H . . 4.040 2.234 1.889 2.477 . 0 0 "[ . 1 . 2]" 1
519 1 38 PRO QB 1 63 THR MG . . 4.060 3.671 3.300 3.938 . 0 0 "[ . 1 . 2]" 1
520 1 38 PRO QB 1 90 VAL QG . . 4.750 4.450 3.964 4.989 0.239 3 0 "[ . 1 . 2]" 1
521 1 38 PRO QD 1 86 MET QG . . 4.870 4.564 3.651 5.717 0.847 6 3 "[ .+ - 1 * 2]" 1
522 1 38 PRO QD 1 90 VAL QG . . 4.820 3.559 3.040 3.943 . 0 0 "[ . 1 . 2]" 1
523 1 38 PRO QG 1 63 THR MG . . 2.960 2.675 2.134 3.007 0.047 4 0 "[ . 1 . 2]" 1
524 1 38 PRO QG 1 67 HIS QB . . 4.730 4.059 2.896 4.765 0.035 15 0 "[ . 1 . 2]" 1
525 1 38 PRO QG 1 90 VAL QG . . 4.180 3.240 2.596 3.707 . 0 0 "[ . 1 . 2]" 1
526 1 39 ASN H 1 40 GLN H . . 3.080 2.470 2.121 2.868 . 0 0 "[ . 1 . 2]" 1
527 1 39 ASN HA 1 93 MET ME . . 3.390 2.565 2.008 3.309 . 0 0 "[ . 1 . 2]" 1
528 1 40 GLN H 1 40 GLN HB3 . . 3.810 3.610 2.884 3.895 0.085 2 0 "[ . 1 . 2]" 1
529 1 40 GLN H 1 40 GLN QG . . 4.640 3.321 2.317 4.203 . 0 0 "[ . 1 . 2]" 1
530 1 40 GLN HA 1 40 GLN QG . . 3.430 2.334 2.131 2.650 . 0 0 "[ . 1 . 2]" 1
531 1 40 GLN HA 1 41 VAL H . . 3.000 2.524 2.231 2.975 . 0 0 "[ . 1 . 2]" 1
532 1 40 GLN HA 1 41 VAL QG . . 4.670 3.464 2.872 4.391 . 0 0 "[ . 1 . 2]" 1
533 1 40 GLN HA 1 93 MET ME . . 4.870 3.683 3.218 4.467 . 0 0 "[ . 1 . 2]" 1
534 1 40 GLN HB2 1 41 VAL H . . 5.180 3.770 3.023 4.233 . 0 0 "[ . 1 . 2]" 1
535 1 40 GLN QE 1 97 GLN QG . . 5.260 7.610 5.795 8.475 3.215 15 20 [******-*******+*****] 1
536 1 40 GLN QG 1 41 VAL H . . 4.250 3.555 2.130 4.174 . 0 0 "[ . 1 . 2]" 1
537 1 41 VAL H 1 97 GLN QG . . 4.310 4.997 4.570 5.874 1.564 2 12 "[*+* . **1 ***** - *]" 1
538 1 41 VAL HA 1 41 VAL QG . . 3.310 2.236 2.096 2.385 . 0 0 "[ . 1 . 2]" 1
539 1 41 VAL HA 1 42 TYR H . . 3.310 2.338 2.218 2.482 . 0 0 "[ . 1 . 2]" 1
540 1 41 VAL HA 1 63 THR MG . . 3.240 2.283 2.085 2.620 . 0 0 "[ . 1 . 2]" 1
541 1 41 VAL HA 1 90 VAL QG . . 4.990 3.530 3.300 3.823 . 0 0 "[ . 1 . 2]" 1
542 1 41 VAL HB 1 63 THR MG . . 3.970 3.410 2.537 4.160 0.190 16 0 "[ . 1 . 2]" 1
543 1 41 VAL QG 1 42 TYR HA . . 4.930 4.150 3.610 4.558 . 0 0 "[ . 1 . 2]" 1
544 1 41 VAL QG 1 43 TYR QD . . 3.800 2.996 2.215 3.818 0.018 4 0 "[ . 1 . 2]" 1
545 1 41 VAL QG 1 43 TYR QE . . 4.640 4.021 2.719 4.748 0.108 5 0 "[ . 1 . 2]" 1
546 1 41 VAL QG 1 63 THR MG . . 4.900 2.199 1.989 2.436 . 0 0 "[ . 1 . 2]" 1
547 1 41 VAL QG 1 93 MET HA . . 4.680 3.974 3.798 4.235 . 0 0 "[ . 1 . 2]" 1
548 1 41 VAL QG 1 93 MET HB3 . . 3.860 2.270 2.024 2.616 . 0 0 "[ . 1 . 2]" 1
549 1 41 VAL QG 1 93 MET ME . . 2.950 2.670 2.057 3.136 0.186 16 0 "[ . 1 . 2]" 1
550 1 41 VAL QG 1 93 MET HG2 . . 5.330 4.056 3.660 4.535 . 0 0 "[ . 1 . 2]" 1
551 1 41 VAL QG 1 94 CYS HA . . 3.570 2.443 2.123 2.996 . 0 0 "[ . 1 . 2]" 1
552 1 41 VAL QG 1 97 GLN HA . . 4.510 4.762 4.467 4.915 0.405 13 0 "[ . 1 . 2]" 1
553 1 41 VAL QG 1 97 GLN HB2 . . 4.090 3.168 2.868 3.492 . 0 0 "[ . 1 . 2]" 1
554 1 41 VAL QG 1 97 GLN HB3 . . 3.930 2.738 2.496 2.982 . 0 0 "[ . 1 . 2]" 1
555 1 41 VAL QG 1 97 GLN QG . . 4.050 2.503 1.997 2.906 . 0 0 "[ . 1 . 2]" 1
556 1 42 TYR H 1 42 TYR HB2 . . 3.380 2.339 2.217 2.558 . 0 0 "[ . 1 . 2]" 1
557 1 42 TYR H 1 63 THR HA . . 4.700 3.443 3.050 3.863 . 0 0 "[ . 1 . 2]" 1
558 1 42 TYR HA 1 42 TYR QD . . 4.000 2.921 2.583 3.248 . 0 0 "[ . 1 . 2]" 1
559 1 42 TYR HA 1 43 TYR H . . 3.100 2.343 2.243 2.478 . 0 0 "[ . 1 . 2]" 1
560 1 42 TYR HA 1 43 TYR QD . . 4.440 3.100 2.736 3.474 . 0 0 "[ . 1 . 2]" 1
561 1 42 TYR HA 1 62 ILE MG . . 5.030 4.328 4.117 4.607 . 0 0 "[ . 1 . 2]" 1
562 1 42 TYR HB2 1 43 TYR H . . 4.680 4.080 3.719 4.446 . 0 0 "[ . 1 . 2]" 1
563 1 42 TYR HB2 1 62 ILE MG . . 3.480 2.096 1.917 2.259 . 0 0 "[ . 1 . 2]" 1
564 1 42 TYR HB2 1 63 THR HA . . 4.590 2.881 2.462 3.223 . 0 0 "[ . 1 . 2]" 1
565 1 42 TYR HB3 1 43 TYR H . . 4.760 2.875 2.481 3.311 . 0 0 "[ . 1 . 2]" 1
566 1 42 TYR HB3 1 62 ILE MG . . 4.590 2.343 2.061 2.619 . 0 0 "[ . 1 . 2]" 1
567 1 42 TYR HB3 1 63 THR HA . . 4.860 4.530 4.170 4.828 . 0 0 "[ . 1 . 2]" 1
568 1 42 TYR QD 1 63 THR HA . . 3.430 2.254 2.072 2.478 . 0 0 "[ . 1 . 2]" 1
569 1 42 TYR QD 1 63 THR MG . . 3.920 2.814 2.257 3.144 . 0 0 "[ . 1 . 2]" 1
570 1 42 TYR QD 1 66 GLN QG . . 4.900 3.099 2.242 3.474 . 0 0 "[ . 1 . 2]" 1
571 1 42 TYR QE 1 62 ILE MG . . 4.950 4.591 4.058 5.083 0.133 10 0 "[ . 1 . 2]" 1
572 1 42 TYR QE 1 63 THR HA . . 4.650 4.116 3.766 4.414 . 0 0 "[ . 1 . 2]" 1
573 1 42 TYR QE 1 63 THR MG . . 4.630 4.167 3.321 4.575 . 0 0 "[ . 1 . 2]" 1
574 1 42 TYR QE 1 66 GLN HB3 . . 3.890 2.661 2.199 3.754 . 0 0 "[ . 1 . 2]" 1
575 1 42 TYR QE 1 66 GLN QG . . 3.990 2.990 2.207 3.469 . 0 0 "[ . 1 . 2]" 1
576 1 43 TYR HA 1 43 TYR QD . . 4.260 3.761 3.715 3.815 . 0 0 "[ . 1 . 2]" 1
577 1 43 TYR HA 1 44 ARG H . . 3.550 2.460 2.181 2.801 . 0 0 "[ . 1 . 2]" 1
578 1 43 TYR HA 1 62 ILE MG . . 5.500 4.303 3.608 4.919 . 0 0 "[ . 1 . 2]" 1
579 1 43 TYR HB2 1 44 ARG H . . 3.930 2.425 1.875 2.933 . 0 0 "[ . 1 . 2]" 1
580 1 43 TYR QD 1 45 PRO HA . . 4.360 3.779 2.794 4.334 . 0 0 "[ . 1 . 2]" 1
581 1 43 TYR QD 1 55 PHE QD . . 3.930 5.304 4.646 5.748 1.818 10 20 [******-**+**********] 1
582 1 43 TYR QE 1 45 PRO HA . . 4.410 4.117 3.444 4.593 0.183 14 0 "[ . 1 . 2]" 1
583 1 43 TYR QE 1 55 PHE QE . . 4.720 5.223 4.586 5.837 1.117 10 14 "[** *** *+* **-***2]" 1
584 1 43 TYR QE 1 101 GLU QB . . 4.060 4.011 3.457 4.628 0.568 1 2 "[+ . - . 2]" 1
585 1 43 TYR QE 1 101 GLU QG . . 3.990 2.685 2.089 3.793 . 0 0 "[ . 1 . 2]" 1
586 1 44 ARG H 1 44 ARG HB2 . . 4.020 2.424 2.172 2.743 . 0 0 "[ . 1 . 2]" 1
587 1 44 ARG HA 1 44 ARG HD2 . . 4.930 4.624 4.425 4.705 . 0 0 "[ . 1 . 2]" 1
588 1 44 ARG HA 1 44 ARG HD3 . . 4.760 4.504 4.423 4.566 . 0 0 "[ . 1 . 2]" 1
589 1 44 ARG HA 1 44 ARG HG3 . . 4.110 2.590 2.442 2.714 . 0 0 "[ . 1 . 2]" 1
590 1 44 ARG HA 1 45 PRO HD2 . . 3.860 2.825 2.402 3.154 . 0 0 "[ . 1 . 2]" 1
591 1 44 ARG HA 1 45 PRO HD3 . . 3.610 2.421 2.099 2.703 . 0 0 "[ . 1 . 2]" 1
592 1 44 ARG HA 1 45 PRO HG2 . . 5.210 4.788 4.540 4.940 . 0 0 "[ . 1 . 2]" 1
593 1 44 ARG HB2 1 49 TYR QE . . 3.380 2.585 2.358 2.840 . 0 0 "[ . 1 . 2]" 1
594 1 44 ARG HB3 1 45 PRO HD2 . . 4.670 2.175 2.038 2.317 . 0 0 "[ . 1 . 2]" 1
595 1 44 ARG HB3 1 45 PRO HD3 . . 4.570 3.431 2.881 3.796 . 0 0 "[ . 1 . 2]" 1
596 1 44 ARG HB3 1 49 TYR QE . . 3.630 2.212 2.057 2.569 . 0 0 "[ . 1 . 2]" 1
597 1 44 ARG HG2 1 45 PRO HG2 . . 4.940 4.481 4.172 5.183 0.243 9 0 "[ . 1 . 2]" 1
598 1 45 PRO HA 1 46 VAL H . . 2.970 2.155 2.060 2.281 . 0 0 "[ . 1 . 2]" 1
599 1 45 PRO HA 1 46 VAL QG . . 4.760 3.512 3.176 3.839 . 0 0 "[ . 1 . 2]" 1
600 1 45 PRO HA 1 47 ASP H . . 4.710 3.635 3.383 3.821 . 0 0 "[ . 1 . 2]" 1
601 1 46 VAL H 1 46 VAL HB . . 3.290 2.681 2.377 3.408 0.118 15 0 "[ . 1 . 2]" 1
602 1 46 VAL H 1 47 ASP H . . 3.880 2.823 2.620 2.987 . 0 0 "[ . 1 . 2]" 1
603 1 46 VAL HA 1 46 VAL QG . . 3.310 2.388 2.237 2.645 . 0 0 "[ . 1 . 2]" 1
604 1 46 VAL HA 1 49 TYR QB . . 4.870 3.226 2.665 3.551 . 0 0 "[ . 1 . 2]" 1
605 1 46 VAL HA 1 49 TYR QD . . 3.350 2.780 2.457 3.020 . 0 0 "[ . 1 . 2]" 1
606 1 46 VAL HA 1 49 TYR QE . . 4.720 4.302 3.917 4.424 . 0 0 "[ . 1 . 2]" 1
607 1 46 VAL HB 1 49 TYR QB . . 4.790 5.031 4.261 5.488 0.698 1 4 "[+ . * * . -2]" 1
608 1 46 VAL HB 1 55 PHE QE . . 4.930 3.256 2.063 4.530 . 0 0 "[ . 1 . 2]" 1
609 1 46 VAL QG 1 47 ASP HA . . 4.330 3.462 3.194 4.076 . 0 0 "[ . 1 . 2]" 1
610 1 46 VAL QG 1 47 ASP HB2 . . 5.340 4.316 2.966 5.094 . 0 0 "[ . 1 . 2]" 1
611 1 46 VAL QG 1 47 ASP HB3 . . 5.320 3.465 2.843 4.090 . 0 0 "[ . 1 . 2]" 1
612 1 46 VAL QG 1 49 TYR QD . . 4.810 4.167 3.908 4.473 . 0 0 "[ . 1 . 2]" 1
613 1 46 VAL QG 1 55 PHE QD . . 4.710 3.190 2.376 4.059 . 0 0 "[ . 1 . 2]" 1
614 1 46 VAL QG 1 55 PHE QE . . 4.290 3.060 2.090 3.699 . 0 0 "[ . 1 . 2]" 1
615 1 46 VAL QG 1 98 TYR HA . . 4.440 3.890 2.615 4.317 . 0 0 "[ . 1 . 2]" 1
616 1 46 VAL QG 1 98 TYR QD . . 3.910 2.542 2.050 3.389 . 0 0 "[ . 1 . 2]" 1
617 1 46 VAL QG 1 98 TYR QE . . 3.460 2.657 2.090 3.570 0.110 5 0 "[ . 1 . 2]" 1
618 1 46 VAL QG 1 101 GLU HA . . 4.540 4.021 3.508 4.605 0.065 14 0 "[ . 1 . 2]" 1
619 1 46 VAL QG 1 101 GLU QB . . 3.690 2.368 1.962 2.995 . 0 0 "[ . 1 . 2]" 1
620 1 46 VAL QG 1 101 GLU QG . . 3.660 3.650 3.029 4.119 0.459 9 0 "[ . 1 . 2]" 1
621 1 46 VAL QG 1 102 SER HA . . 3.500 2.353 1.986 2.682 . 0 0 "[ . 1 . 2]" 1
622 1 46 VAL QG 1 102 SER QB . . 4.220 2.602 2.046 3.527 . 0 0 "[ . 1 . 2]" 1
623 1 46 VAL QG 1 105 TYR HA . . 5.210 5.360 5.037 5.619 0.409 3 0 "[ . 1 . 2]" 1
624 1 46 VAL QG 1 105 TYR QB . . 3.570 2.993 2.719 3.233 . 0 0 "[ . 1 . 2]" 1
625 1 46 VAL QG 1 105 TYR QD . . 3.940 3.177 2.665 3.544 . 0 0 "[ . 1 . 2]" 1
626 1 46 VAL QG 1 105 TYR QE . . 4.370 4.101 3.657 4.247 . 0 0 "[ . 1 . 2]" 1
627 1 47 ASP H 1 47 ASP HB2 . . 3.830 3.366 2.421 3.855 0.025 4 0 "[ . 1 . 2]" 1
628 1 47 ASP H 1 47 ASP HB3 . . 3.530 2.540 2.121 2.895 . 0 0 "[ . 1 . 2]" 1
629 1 47 ASP HA 1 47 ASP HB2 . . 3.020 2.439 2.202 2.582 . 0 0 "[ . 1 . 2]" 1
630 1 47 ASP HA 1 49 TYR H . . 4.360 3.895 3.372 4.442 0.082 5 0 "[ . 1 . 2]" 1
631 1 47 ASP HA 1 105 TYR QD . . 4.540 4.403 3.340 4.977 0.437 11 0 "[ . 1 . 2]" 1
632 1 47 ASP HA 1 105 TYR QE . . 4.380 3.583 2.210 4.374 . 0 0 "[ . 1 . 2]" 1
633 1 47 ASP HB2 1 48 GLN H . . 4.350 4.337 3.884 4.572 0.222 9 0 "[ . 1 . 2]" 1
634 1 47 ASP HB3 1 105 TYR QE . . 4.210 2.783 2.058 4.229 0.019 18 0 "[ . 1 . 2]" 1
635 1 48 GLN H 1 48 GLN HB2 . . 4.070 2.778 2.132 3.412 . 0 0 "[ . 1 . 2]" 1
636 1 48 GLN H 1 48 GLN HB3 . . 3.510 3.316 2.779 4.003 0.493 4 0 "[ . 1 . 2]" 1
637 1 48 GLN H 1 49 TYR H . . 3.660 2.142 1.604 2.668 . 0 0 "[ . 1 . 2]" 1
638 1 48 GLN HA 1 48 GLN QE . . 4.970 4.213 3.942 4.538 . 0 0 "[ . 1 . 2]" 1
639 1 48 GLN HA 1 48 GLN QG . . 3.410 2.154 2.078 2.279 . 0 0 "[ . 1 . 2]" 1
640 1 48 GLN HB3 1 49 TYR H . . 4.120 3.675 2.803 4.210 0.090 6 0 "[ . 1 . 2]" 1
641 1 48 GLN QE 1 49 TYR HA . . 4.630 7.067 6.405 7.725 3.095 6 20 [*****+*******-******] 1
642 1 48 GLN QE 1 49 TYR QB . . 4.820 7.016 6.131 7.459 2.639 1 20 [+*********-*********] 1
643 1 49 TYR H 1 49 TYR QB . . 3.590 2.362 2.144 2.560 . 0 0 "[ . 1 . 2]" 1
644 1 49 TYR H 1 50 ASN H . . 5.030 4.167 2.344 4.528 . 0 0 "[ . 1 . 2]" 1
645 1 49 TYR HA 1 49 TYR QD . . 3.510 3.038 2.832 3.160 . 0 0 "[ . 1 . 2]" 1
646 1 49 TYR HA 1 49 TYR QE . . 4.540 4.645 4.475 4.768 0.228 15 0 "[ . 1 . 2]" 1
647 1 49 TYR HA 1 54 THR MG . . 4.300 5.966 4.989 6.466 2.166 7 20 [******+*****-*******] 1
648 1 49 TYR QB 1 50 ASN H . . 4.920 2.327 1.843 3.167 . 0 0 "[ . 1 . 2]" 1
649 1 49 TYR QB 1 51 ASN H . . 3.880 2.494 2.121 3.325 . 0 0 "[ . 1 . 2]" 1
650 1 49 TYR QB 1 54 THR HB . . 4.200 4.181 3.199 4.580 0.380 12 0 "[ . 1 . 2]" 1
651 1 49 TYR QD 1 54 THR HB . . 3.500 3.118 2.545 3.502 0.002 10 0 "[ . 1 . 2]" 1
652 1 49 TYR QD 1 54 THR MG . . 3.660 3.620 2.806 3.859 0.199 16 0 "[ . 1 . 2]" 1
653 1 49 TYR QE 1 54 THR HB . . 4.160 4.123 3.457 4.172 0.012 4 0 "[ . 1 . 2]" 1
654 1 49 TYR QE 1 54 THR MG . . 3.770 3.427 3.018 3.768 . 0 0 "[ . 1 . 2]" 1
655 1 49 TYR QE 1 58 ASP HB2 . . 4.330 3.353 2.697 3.848 . 0 0 "[ . 1 . 2]" 1
656 1 49 TYR QE 1 58 ASP HB3 . . 4.220 3.881 3.351 4.402 0.182 9 0 "[ . 1 . 2]" 1
657 1 50 ASN H 1 51 ASN H . . 3.880 2.302 1.866 3.675 . 0 0 "[ . 1 . 2]" 1
658 1 50 ASN HA 1 50 ASN HB3 . . 2.820 2.493 2.276 3.045 0.225 20 0 "[ . 1 . 2]" 1
659 1 51 ASN HA 1 52 GLN H . . 2.970 2.293 2.036 2.570 . 0 0 "[ . 1 . 2]" 1
660 1 51 ASN HA 1 52 GLN HA . . 4.620 4.362 4.169 4.599 . 0 0 "[ . 1 . 2]" 1
661 1 51 ASN HA 1 53 ASN H . . 4.580 4.330 3.966 4.661 0.081 8 0 "[ . 1 . 2]" 1
662 1 51 ASN HB2 1 52 GLN H . . 3.540 2.901 2.274 4.011 0.471 16 0 "[ . 1 . 2]" 1
663 1 51 ASN HB2 1 53 ASN H . . 4.090 3.138 2.573 4.794 0.704 20 2 "[ . 1 .- +]" 1
664 1 51 ASN HB3 1 52 GLN H . . 4.440 3.742 2.930 4.059 . 0 0 "[ . 1 . 2]" 1
665 1 51 ASN QD 1 52 GLN QB . . 4.620 5.238 4.191 6.102 1.482 17 12 "[** *** * ** ** + -2]" 1
666 1 51 ASN QD 1 53 ASN QD . . 3.500 5.139 3.450 6.409 2.909 6 17 "[*****+*-******* * *2]" 1
667 1 51 ASN QD 1 54 THR H . . 4.730 2.905 2.351 3.821 . 0 0 "[ . 1 . 2]" 1
668 1 51 ASN QD 1 54 THR HB . . 5.040 3.067 1.831 4.583 . 0 0 "[ . 1 . 2]" 1
669 1 52 GLN H 1 52 GLN QB . . 3.380 2.206 2.140 2.285 . 0 0 "[ . 1 . 2]" 1
670 1 52 GLN H 1 52 GLN HG2 . . 4.770 4.465 4.393 4.522 . 0 0 "[ . 1 . 2]" 1
671 1 52 GLN H 1 53 ASN H . . 3.730 2.732 2.357 3.026 . 0 0 "[ . 1 . 2]" 1
672 1 52 GLN HA 1 52 GLN HG2 . . 4.150 2.661 2.396 2.951 . 0 0 "[ . 1 . 2]" 1
673 1 52 GLN HA 1 52 GLN HG3 . . 3.890 3.240 2.799 3.682 . 0 0 "[ . 1 . 2]" 1
674 1 52 GLN HA 1 98 TYR QD . . 4.760 3.973 3.116 4.464 . 0 0 "[ . 1 . 2]" 1
675 1 52 GLN HA 1 98 TYR QE . . 4.280 3.414 2.810 4.026 . 0 0 "[ . 1 . 2]" 1
676 1 52 GLN QB 1 53 ASN H . . 3.510 2.474 2.077 2.778 . 0 0 "[ . 1 . 2]" 1
677 1 52 GLN QB 1 53 ASN HA . . 4.900 3.887 3.597 4.170 . 0 0 "[ . 1 . 2]" 1
678 1 52 GLN QB 1 53 ASN HB2 . . 4.630 4.781 4.520 5.189 0.559 16 1 "[ . 1 .+ 2]" 1
679 1 52 GLN QB 1 53 ASN QD . . 4.910 3.410 2.479 4.206 . 0 0 "[ . 1 . 2]" 1
680 1 52 GLN QB 1 98 TYR QE . . 3.930 2.984 2.473 3.290 . 0 0 "[ . 1 . 2]" 1
681 1 52 GLN HE22 1 52 GLN HG2 . . 4.140 3.611 3.449 4.124 . 0 0 "[ . 1 . 2]" 1
682 1 52 GLN HG2 1 53 ASN H . . 4.520 4.083 3.341 4.412 . 0 0 "[ . 1 . 2]" 1
683 1 52 GLN HG3 1 98 TYR QD . . 4.600 3.159 2.897 3.645 . 0 0 "[ . 1 . 2]" 1
684 1 53 ASN H 1 53 ASN HB2 . . 3.050 2.569 2.422 2.918 . 0 0 "[ . 1 . 2]" 1
685 1 53 ASN H 1 53 ASN HB3 . . 3.720 3.639 3.565 3.708 . 0 0 "[ . 1 . 2]" 1
686 1 53 ASN H 1 53 ASN QD . . 4.420 2.833 1.784 3.874 . 0 0 "[ . 1 . 2]" 1
687 1 53 ASN H 1 54 THR H . . 3.400 2.978 2.617 3.200 . 0 0 "[ . 1 . 2]" 1
688 1 53 ASN HA 1 56 VAL H . . 4.310 3.811 3.481 3.995 . 0 0 "[ . 1 . 2]" 1
689 1 53 ASN HA 1 56 VAL HB . . 3.300 3.011 2.690 3.256 . 0 0 "[ . 1 . 2]" 1
690 1 53 ASN HA 1 56 VAL QG . . 4.090 3.542 3.361 3.768 . 0 0 "[ . 1 . 2]" 1
691 1 53 ASN HB2 1 54 THR H . . 3.750 2.114 1.902 2.397 . 0 0 "[ . 1 . 2]" 1
692 1 53 ASN HB3 1 54 THR H . . 3.840 2.940 2.564 3.503 . 0 0 "[ . 1 . 2]" 1
693 1 53 ASN HB3 1 54 THR HA . . 4.760 3.977 3.752 4.356 . 0 0 "[ . 1 . 2]" 1
694 1 54 THR H 1 54 THR HB . . 3.370 2.830 2.625 3.203 . 0 0 "[ . 1 . 2]" 1
695 1 54 THR H 1 55 PHE H . . 4.050 2.878 2.574 3.091 . 0 0 "[ . 1 . 2]" 1
696 1 54 THR H 1 56 VAL H . . 4.750 4.467 4.236 4.694 . 0 0 "[ . 1 . 2]" 1
697 1 54 THR HA 1 54 THR MG . . 3.140 2.255 2.111 2.409 . 0 0 "[ . 1 . 2]" 1
698 1 54 THR HA 1 57 HIS H . . 3.810 3.518 3.196 3.857 0.047 1 0 "[ . 1 . 2]" 1
699 1 54 THR HA 1 57 HIS QB . . 3.310 2.474 2.058 2.891 . 0 0 "[ . 1 . 2]" 1
700 1 54 THR HA 1 58 ASP H . . 4.710 4.022 3.752 4.327 . 0 0 "[ . 1 . 2]" 1
701 1 54 THR HB 1 55 PHE H . . 4.660 2.658 2.344 3.007 . 0 0 "[ . 1 . 2]" 1
702 1 54 THR MG 1 57 HIS QB . . 4.250 3.587 3.181 3.983 . 0 0 "[ . 1 . 2]" 1
703 1 55 PHE H 1 56 VAL H . . 3.740 2.713 2.383 2.886 . 0 0 "[ . 1 . 2]" 1
704 1 55 PHE HB2 1 56 VAL H . . 4.370 3.996 3.794 4.296 . 0 0 "[ . 1 . 2]" 1
705 1 55 PHE HB3 1 56 VAL H . . 3.800 2.729 2.413 3.179 . 0 0 "[ . 1 . 2]" 1
706 1 55 PHE HB3 1 56 VAL QG . . 5.020 3.847 3.279 4.442 . 0 0 "[ . 1 . 2]" 1
707 1 55 PHE QE 1 56 VAL QG . . 5.100 2.949 2.379 3.768 . 0 0 "[ . 1 . 2]" 1
708 1 55 PHE QE 1 94 CYS HA . . 4.830 5.810 5.267 6.254 1.424 9 19 "[*** ****+***-*******]" 1
709 1 55 PHE QE 1 98 TYR HB2 . . 4.450 2.191 1.947 3.348 . 0 0 "[ . 1 . 2]" 1
710 1 55 PHE HZ 1 56 VAL HA . . 4.170 5.113 4.763 5.489 1.319 10 20 [***-*****+**********] 1
711 1 55 PHE HZ 1 56 VAL QG . . 3.880 4.031 4.011 4.046 0.166 12 0 "[ . 1 . 2]" 1
712 1 56 VAL H 1 56 VAL HB . . 3.230 2.131 2.014 2.220 . 0 0 "[ . 1 . 2]" 1
713 1 56 VAL H 1 57 HIS H . . 3.620 2.717 2.556 2.835 . 0 0 "[ . 1 . 2]" 1
714 1 56 VAL HA 1 56 VAL QG . . 3.230 2.105 2.033 2.154 . 0 0 "[ . 1 . 2]" 1
715 1 56 VAL HA 1 59 CYS HB2 . . 4.100 3.460 2.736 4.695 0.595 8 2 "[ . + 1 . - 2]" 1
716 1 56 VAL HA 1 60 VAL H . . 4.680 4.021 3.864 4.148 . 0 0 "[ . 1 . 2]" 1
717 1 56 VAL HA 1 94 CYS QB . . 4.250 2.901 2.543 3.649 . 0 0 "[ . 1 . 2]" 1
718 1 56 VAL HB 1 57 HIS H . . 3.470 2.941 2.651 3.156 . 0 0 "[ . 1 . 2]" 1
719 1 56 VAL HB 1 94 CYS QB . . 5.440 4.316 3.995 4.787 . 0 0 "[ . 1 . 2]" 1
720 1 56 VAL QG 1 57 HIS HD2 . . 5.020 5.444 5.287 5.473 0.453 14 0 "[ . 1 . 2]" 1
721 1 56 VAL QG 1 94 CYS HA . . 5.070 3.606 3.463 3.714 . 0 0 "[ . 1 . 2]" 1
722 1 56 VAL QG 1 94 CYS QB . . 4.130 1.868 1.749 1.996 . 0 0 "[ . 1 . 2]" 1
723 1 56 VAL QG 1 95 VAL MG2 . . 2.440 1.984 1.865 2.151 . 0 0 "[ . 1 . 2]" 1
724 1 56 VAL QG 1 98 TYR HB3 . . 4.210 3.079 2.522 3.728 . 0 0 "[ . 1 . 2]" 1
725 1 56 VAL QG 1 98 TYR QD . . 5.060 3.579 3.207 4.087 . 0 0 "[ . 1 . 2]" 1
726 1 57 HIS H 1 57 HIS QB . . 3.010 2.170 2.075 2.260 . 0 0 "[ . 1 . 2]" 1
727 1 57 HIS H 1 58 ASP H . . 3.540 2.802 2.671 2.933 . 0 0 "[ . 1 . 2]" 1
728 1 57 HIS HA 1 57 HIS HD2 . . 3.830 2.568 2.408 2.722 . 0 0 "[ . 1 . 2]" 1
729 1 57 HIS HA 1 60 VAL H . . 4.290 3.334 2.985 3.583 . 0 0 "[ . 1 . 2]" 1
730 1 57 HIS HA 1 60 VAL HB . . 3.730 2.733 2.248 3.081 . 0 0 "[ . 1 . 2]" 1
731 1 57 HIS HA 1 60 VAL MG2 . . 4.130 2.976 2.279 3.459 . 0 0 "[ . 1 . 2]" 1
732 1 57 HIS QB 1 57 HIS HD2 . . 3.500 3.229 3.112 3.289 . 0 0 "[ . 1 . 2]" 1
733 1 57 HIS QB 1 58 ASP H . . 3.700 2.518 2.282 2.775 . 0 0 "[ . 1 . 2]" 1
734 1 58 ASP H 1 59 CYS H . . 3.520 2.697 2.582 2.821 . 0 0 "[ . 1 . 2]" 1
735 1 58 ASP HA 1 61 ASN H . . 3.780 3.469 3.018 3.740 . 0 0 "[ . 1 . 2]" 1
736 1 58 ASP HA 1 61 ASN QB . . 3.340 2.743 2.320 3.141 . 0 0 "[ . 1 . 2]" 1
737 1 58 ASP HA 1 61 ASN QD . . 4.460 4.815 3.269 5.793 1.333 11 13 "[* *- ****+ * .* ***]" 1
738 1 58 ASP HA 1 62 ILE H . . 4.540 3.996 3.732 4.303 . 0 0 "[ . 1 . 2]" 1
739 1 58 ASP HA 1 62 ILE QG . . 5.080 4.015 3.743 4.277 . 0 0 "[ . 1 . 2]" 1
740 1 58 ASP HB2 1 59 CYS H . . 3.540 3.438 2.819 3.997 0.457 15 0 "[ . 1 . 2]" 1
741 1 58 ASP HB3 1 59 CYS H . . 4.080 2.846 2.396 3.807 . 0 0 "[ . 1 . 2]" 1
742 1 58 ASP HB3 1 62 ILE MD . . 5.280 5.579 4.702 6.264 0.984 4 9 "[ +* *- ** ** *]" 1
743 1 59 CYS H 1 59 CYS HB2 . . 3.420 2.835 2.256 3.675 0.255 8 0 "[ . 1 . 2]" 1
744 1 59 CYS H 1 59 CYS HB3 . . 3.580 2.257 2.022 2.734 . 0 0 "[ . 1 . 2]" 1
745 1 59 CYS H 1 60 VAL H . . 3.570 2.804 2.606 2.978 . 0 0 "[ . 1 . 2]" 1
746 1 59 CYS HA 1 62 ILE H . . 4.730 3.541 3.038 3.773 . 0 0 "[ . 1 . 2]" 1
747 1 59 CYS HA 1 62 ILE HB . . 4.270 2.640 2.267 2.907 . 0 0 "[ . 1 . 2]" 1
748 1 59 CYS HA 1 62 ILE MD . . 5.010 5.147 4.903 5.227 0.217 1 0 "[ . 1 . 2]" 1
749 1 59 CYS HA 1 62 ILE MG . . 4.220 3.764 3.324 4.172 . 0 0 "[ . 1 . 2]" 1
750 1 59 CYS HB2 1 60 VAL H . . 3.820 4.025 3.792 4.151 0.331 18 0 "[ . 1 . 2]" 1
751 1 59 CYS HB2 1 60 VAL MG2 . . 5.320 5.037 4.774 5.267 . 0 0 "[ . 1 . 2]" 1
752 1 59 CYS HB3 1 60 VAL H . . 4.110 2.890 2.373 4.185 0.075 8 0 "[ . 1 . 2]" 1
753 1 60 VAL H 1 60 VAL HB . . 3.070 2.477 2.142 2.801 . 0 0 "[ . 1 . 2]" 1
754 1 60 VAL H 1 61 ASN H . . 3.450 2.803 2.735 2.891 . 0 0 "[ . 1 . 2]" 1
755 1 60 VAL HA 1 60 VAL MG1 . . 3.200 2.495 2.348 2.817 . 0 0 "[ . 1 . 2]" 1
756 1 60 VAL HA 1 60 VAL MG2 . . 3.570 2.402 2.294 2.495 . 0 0 "[ . 1 . 2]" 1
757 1 60 VAL HA 1 63 THR H . . 4.330 3.607 3.380 4.014 . 0 0 "[ . 1 . 2]" 1
758 1 60 VAL HA 1 63 THR HB . . 3.940 3.003 2.532 3.328 . 0 0 "[ . 1 . 2]" 1
759 1 60 VAL HA 1 63 THR MG . . 4.270 4.281 3.851 4.443 0.173 17 0 "[ . 1 . 2]" 1
760 1 60 VAL HA 1 64 ILE H . . 4.880 4.070 3.804 4.335 . 0 0 "[ . 1 . 2]" 1
761 1 60 VAL HB 1 61 ASN H . . 3.240 2.554 2.398 2.796 . 0 0 "[ . 1 . 2]" 1
762 1 60 VAL MG1 1 61 ASN HA . . 3.950 3.381 3.046 3.922 . 0 0 "[ . 1 . 2]" 1
763 1 60 VAL MG1 1 61 ASN QB . . 5.130 4.116 3.246 4.527 . 0 0 "[ . 1 . 2]" 1
764 1 60 VAL MG1 1 64 ILE MD . . 3.320 2.501 2.139 3.455 0.135 5 0 "[ . 1 . 2]" 1
765 1 60 VAL MG1 1 64 ILE HG12 . . 4.420 4.411 4.005 4.842 0.422 17 0 "[ . 1 . 2]" 1
766 1 60 VAL MG1 1 87 GLU HA . . 3.920 2.368 2.061 3.143 . 0 0 "[ . 1 . 2]" 1
767 1 60 VAL MG1 1 87 GLU HB2 . . 4.920 4.403 4.015 5.358 0.438 17 0 "[ . 1 . 2]" 1
768 1 60 VAL MG1 1 87 GLU HB3 . . 4.960 3.316 2.819 4.431 . 0 0 "[ . 1 . 2]" 1
769 1 60 VAL MG1 1 87 GLU HG2 . . 4.480 2.606 2.155 3.369 . 0 0 "[ . 1 . 2]" 1
770 1 60 VAL MG1 1 87 GLU HG3 . . 3.980 3.906 3.394 4.531 0.551 4 2 "[ +. 1 . - 2]" 1
771 1 60 VAL MG1 1 90 VAL QG . . 3.830 2.710 2.246 3.518 . 0 0 "[ . 1 . 2]" 1
772 1 60 VAL MG2 1 63 THR HB . . 5.220 4.742 4.474 5.027 . 0 0 "[ . 1 . 2]" 1
773 1 60 VAL MG2 1 63 THR MG . . 5.500 5.138 4.796 5.446 . 0 0 "[ . 1 . 2]" 1
774 1 60 VAL MG2 1 87 GLU HG2 . . 5.500 4.824 4.224 5.640 0.140 4 0 "[ . 1 . 2]" 1
775 1 60 VAL MG2 1 91 GLU HA . . 2.930 2.130 1.959 2.380 . 0 0 "[ . 1 . 2]" 1
776 1 60 VAL MG2 1 91 GLU HB2 . . 4.230 2.584 2.224 3.260 . 0 0 "[ . 1 . 2]" 1
777 1 60 VAL MG2 1 91 GLU HB3 . . 4.230 3.839 3.590 4.331 0.101 10 0 "[ . 1 . 2]" 1
778 1 60 VAL MG2 1 91 GLU HG2 . . 3.770 3.591 2.528 3.929 0.159 15 0 "[ . 1 . 2]" 1
779 1 60 VAL MG2 1 91 GLU HG3 . . 3.680 3.000 2.370 3.840 0.160 2 0 "[ . 1 . 2]" 1
780 1 60 VAL MG2 1 94 CYS QB . . 4.250 2.817 2.420 3.257 . 0 0 "[ . 1 . 2]" 1
781 1 61 ASN H 1 61 ASN QB . . 3.130 2.242 2.149 2.333 . 0 0 "[ . 1 . 2]" 1
782 1 61 ASN H 1 62 ILE H . . 3.630 2.856 2.691 2.990 . 0 0 "[ . 1 . 2]" 1
783 1 61 ASN HA 1 64 ILE H . . 4.690 3.875 3.680 4.073 . 0 0 "[ . 1 . 2]" 1
784 1 61 ASN HA 1 64 ILE HB . . 4.060 3.117 2.503 3.622 . 0 0 "[ . 1 . 2]" 1
785 1 61 ASN HA 1 64 ILE MD . . 4.540 3.737 2.947 4.604 0.064 3 0 "[ . 1 . 2]" 1
786 1 61 ASN HA 1 64 ILE MG . . 4.900 4.345 3.543 4.846 . 0 0 "[ . 1 . 2]" 1
787 1 61 ASN HA 1 65 LYS H . . 3.880 3.982 3.854 4.162 0.282 3 0 "[ . 1 . 2]" 1
788 1 61 ASN QB 1 62 ILE H . . 3.820 2.499 2.183 2.753 . 0 0 "[ . 1 . 2]" 1
789 1 61 ASN QB 1 62 ILE HB . . 5.500 4.392 4.079 4.668 . 0 0 "[ . 1 . 2]" 1
790 1 61 ASN QB 1 62 ILE MD . . 5.240 4.366 3.994 4.664 . 0 0 "[ . 1 . 2]" 1
791 1 61 ASN QB 1 62 ILE QG . . 4.640 3.085 2.886 3.301 . 0 0 "[ . 1 . 2]" 1
792 1 61 ASN QB 1 65 LYS QD . . 4.290 5.579 4.762 6.115 1.825 15 19 [****.*********+**-**] 1
793 1 62 ILE H 1 62 ILE HB . . 3.330 2.241 2.111 2.388 . 0 0 "[ . 1 . 2]" 1
794 1 62 ILE H 1 63 THR H . . 3.620 2.780 2.610 2.937 . 0 0 "[ . 1 . 2]" 1
795 1 62 ILE H 1 64 ILE H . . 4.810 4.400 4.157 4.774 . 0 0 "[ . 1 . 2]" 1
796 1 62 ILE HA 1 62 ILE MD . . 3.320 2.192 2.105 2.338 . 0 0 "[ . 1 . 2]" 1
797 1 62 ILE HA 1 62 ILE QG . . 3.800 2.529 2.338 2.646 . 0 0 "[ . 1 . 2]" 1
798 1 62 ILE HA 1 62 ILE MG . . 3.450 2.657 2.499 2.810 . 0 0 "[ . 1 . 2]" 1
799 1 62 ILE HA 1 65 LYS H . . 3.580 3.250 2.937 3.505 . 0 0 "[ . 1 . 2]" 1
800 1 62 ILE HA 1 65 LYS QB . . 3.150 2.162 1.986 2.551 . 0 0 "[ . 1 . 2]" 1
801 1 62 ILE HA 1 65 LYS QD . . 4.810 3.648 3.008 4.352 . 0 0 "[ . 1 . 2]" 1
802 1 62 ILE HA 1 65 LYS QG . . 5.140 3.933 3.318 4.643 . 0 0 "[ . 1 . 2]" 1
803 1 62 ILE HA 1 66 GLN QG . . 4.430 4.466 3.793 4.912 0.482 11 0 "[ . 1 . 2]" 1
804 1 62 ILE HB 1 62 ILE MD . . 3.430 3.252 3.177 3.298 . 0 0 "[ . 1 . 2]" 1
805 1 62 ILE HB 1 63 THR H . . 3.760 2.864 2.712 3.064 . 0 0 "[ . 1 . 2]" 1
806 1 62 ILE HB 1 63 THR HA . . 4.990 4.653 4.477 4.850 . 0 0 "[ . 1 . 2]" 1
807 1 62 ILE MD 1 62 ILE MG . . 3.490 2.071 2.007 2.184 . 0 0 "[ . 1 . 2]" 1
808 1 62 ILE MD 1 65 LYS QB . . 4.880 3.066 2.756 3.288 . 0 0 "[ . 1 . 2]" 1
809 1 62 ILE MD 1 65 LYS QD . . 4.360 2.934 2.300 3.705 . 0 0 "[ . 1 . 2]" 1
810 1 62 ILE MD 1 65 LYS QE . . 4.330 4.120 2.964 4.515 0.185 2 0 "[ . 1 . 2]" 1
811 1 62 ILE MG 1 63 THR HA . . 4.090 3.190 3.034 3.480 . 0 0 "[ . 1 . 2]" 1
812 1 62 ILE MG 1 63 THR MG . . 5.470 4.613 4.416 4.797 . 0 0 "[ . 1 . 2]" 1
813 1 62 ILE MG 1 65 LYS QB . . 4.470 3.685 3.370 4.049 . 0 0 "[ . 1 . 2]" 1
814 1 62 ILE MG 1 66 GLN HB2 . . 4.660 3.807 3.559 4.253 . 0 0 "[ . 1 . 2]" 1
815 1 62 ILE MG 1 66 GLN HE21 . . 5.000 4.661 3.676 5.781 0.781 4 1 "[ +. 1 . 2]" 1
816 1 62 ILE MG 1 66 GLN QG . . 4.530 2.874 2.365 3.339 . 0 0 "[ . 1 . 2]" 1
817 1 63 THR H 1 63 THR HB . . 3.210 2.451 2.267 2.758 . 0 0 "[ . 1 . 2]" 1
818 1 63 THR H 1 64 ILE H . . 3.490 2.715 2.598 2.857 . 0 0 "[ . 1 . 2]" 1
819 1 63 THR H 1 66 GLN H . . 5.190 4.703 4.604 4.871 . 0 0 "[ . 1 . 2]" 1
820 1 63 THR H 1 66 GLN QG . . 4.310 5.372 4.575 5.929 1.619 4 19 "[***+****** *-*******]" 1
821 1 63 THR HA 1 63 THR MG . . 3.350 2.430 2.281 2.544 . 0 0 "[ . 1 . 2]" 1
822 1 63 THR HA 1 66 GLN HB3 . . 4.720 4.234 3.771 4.781 0.061 16 0 "[ . 1 . 2]" 1
823 1 63 THR HB 1 64 ILE H . . 3.540 2.573 2.376 2.851 . 0 0 "[ . 1 . 2]" 1
824 1 63 THR HB 1 64 ILE MD . . 5.180 4.636 4.343 5.303 0.123 5 0 "[ . 1 . 2]" 1
825 1 63 THR HB 1 64 ILE HG12 . . 4.880 4.589 3.897 5.265 0.385 17 0 "[ . 1 . 2]" 1
826 1 63 THR HB 1 90 VAL QG . . 3.410 1.991 1.901 2.110 . 0 0 "[ . 1 . 2]" 1
827 1 63 THR MG 1 64 ILE HA . . 4.450 3.823 3.484 4.302 . 0 0 "[ . 1 . 2]" 1
828 1 63 THR MG 1 64 ILE MD . . 5.070 4.726 4.170 5.252 0.182 12 0 "[ . 1 . 2]" 1
829 1 63 THR MG 1 64 ILE HG12 . . 4.810 4.164 3.426 5.112 0.302 12 0 "[ . 1 . 2]" 1
830 1 63 THR MG 1 90 VAL QG . . 3.230 1.999 1.849 2.098 . 0 0 "[ . 1 . 2]" 1
831 1 64 ILE H 1 64 ILE HB . . 3.110 2.392 2.270 2.606 . 0 0 "[ . 1 . 2]" 1
832 1 64 ILE H 1 65 LYS H . . 3.460 2.739 2.469 2.954 . 0 0 "[ . 1 . 2]" 1
833 1 64 ILE HA 1 64 ILE MD . . 3.860 3.755 3.648 3.941 0.081 4 0 "[ . 1 . 2]" 1
834 1 64 ILE HA 1 64 ILE HG12 . . 4.030 2.375 2.220 2.754 . 0 0 "[ . 1 . 2]" 1
835 1 64 ILE HA 1 64 ILE HG13 . . 3.910 2.965 2.689 3.205 . 0 0 "[ . 1 . 2]" 1
836 1 64 ILE HA 1 64 ILE MG . . 3.300 2.489 2.280 2.576 . 0 0 "[ . 1 . 2]" 1
837 1 64 ILE HA 1 66 GLN H . . 4.330 4.501 3.758 4.904 0.574 20 2 "[ .- 1 . +]" 1
838 1 64 ILE HA 1 67 HIS H . . 4.360 3.301 3.047 3.608 . 0 0 "[ . 1 . 2]" 1
839 1 64 ILE HA 1 67 HIS QB . . 4.210 3.045 2.309 4.078 . 0 0 "[ . 1 . 2]" 1
840 1 64 ILE HA 1 86 MET ME . . 3.970 2.914 2.362 4.104 0.134 19 0 "[ . 1 . 2]" 1
841 1 64 ILE HB 1 64 ILE MD . . 3.500 2.491 2.295 2.713 . 0 0 "[ . 1 . 2]" 1
842 1 64 ILE HB 1 65 LYS H . . 3.510 2.801 2.538 3.057 . 0 0 "[ . 1 . 2]" 1
843 1 64 ILE HB 1 65 LYS QE . . 4.240 6.934 5.811 7.828 3.588 19 20 [*****-************+*] 1
844 1 64 ILE MD 1 64 ILE MG . . 2.910 2.076 1.993 2.146 . 0 0 "[ . 1 . 2]" 1
845 1 64 ILE MD 1 83 VAL HA . . 4.650 3.567 2.588 4.570 . 0 0 "[ . 1 . 2]" 1
846 1 64 ILE MD 1 83 VAL QG . . 4.150 3.346 2.146 4.033 . 0 0 "[ . 1 . 2]" 1
847 1 64 ILE MD 1 86 MET QB . . 4.570 2.365 1.984 3.538 . 0 0 "[ . 1 . 2]" 1
848 1 64 ILE MD 1 86 MET ME . . 3.670 3.471 2.831 3.889 0.219 19 0 "[ . 1 . 2]" 1
849 1 64 ILE MD 1 86 MET QG . . 5.500 3.769 2.671 4.629 . 0 0 "[ . 1 . 2]" 1
850 1 64 ILE MD 1 87 GLU HA . . 3.070 2.467 2.201 2.835 . 0 0 "[ . 1 . 2]" 1
851 1 64 ILE MD 1 87 GLU HB2 . . 4.640 3.955 3.376 4.328 . 0 0 "[ . 1 . 2]" 1
852 1 64 ILE MD 1 87 GLU HG2 . . 3.890 2.236 1.979 2.978 . 0 0 "[ . 1 . 2]" 1
853 1 64 ILE MD 1 87 GLU HG3 . . 3.430 2.482 2.124 3.349 . 0 0 "[ . 1 . 2]" 1
854 1 64 ILE MD 1 90 VAL HB . . 4.320 3.568 2.915 4.384 0.064 6 0 "[ . 1 . 2]" 1
855 1 64 ILE MD 1 90 VAL QG . . 4.410 3.194 2.716 3.956 . 0 0 "[ . 1 . 2]" 1
856 1 64 ILE HG12 1 86 MET ME . . 3.600 2.624 2.216 3.777 0.177 6 0 "[ . 1 . 2]" 1
857 1 64 ILE HG12 1 90 VAL QG . . 4.730 3.305 2.742 3.895 . 0 0 "[ . 1 . 2]" 1
858 1 64 ILE HG13 1 64 ILE MG . . 3.650 3.247 3.216 3.272 . 0 0 "[ . 1 . 2]" 1
859 1 64 ILE MG 1 65 LYS HA . . 4.130 3.566 3.203 3.955 . 0 0 "[ . 1 . 2]" 1
860 1 64 ILE MG 1 65 LYS QD . . 5.500 6.233 5.549 6.944 1.444 15 13 "[* *-.****1 **+* **]" 1
861 1 64 ILE MG 1 68 THR MG . . 3.870 3.067 2.657 3.312 . 0 0 "[ . 1 . 2]" 1
862 1 64 ILE MG 1 86 MET QB . . 5.230 3.547 3.026 4.452 . 0 0 "[ . 1 . 2]" 1
863 1 64 ILE MG 1 86 MET ME . . 3.300 2.552 2.056 3.523 0.223 19 0 "[ . 1 . 2]" 1
864 1 64 ILE MG 1 87 GLU HG2 . . 5.380 4.472 4.026 5.087 . 0 0 "[ . 1 . 2]" 1
865 1 65 LYS H 1 65 LYS QB . . 3.280 2.187 2.092 2.315 . 0 0 "[ . 1 . 2]" 1
866 1 65 LYS H 1 66 GLN QG . . 4.230 5.173 4.547 5.565 1.335 17 19 "[********** ****-+***]" 1
867 1 65 LYS HA 1 65 LYS QE . . 4.340 3.440 2.689 4.193 . 0 0 "[ . 1 . 2]" 1
868 1 65 LYS HA 1 65 LYS QG . . 3.680 2.318 2.016 2.848 . 0 0 "[ . 1 . 2]" 1
869 1 65 LYS HA 1 68 THR H . . 4.280 3.567 3.151 3.803 . 0 0 "[ . 1 . 2]" 1
870 1 65 LYS HA 1 68 THR HB . . 3.930 3.884 3.546 4.086 0.156 20 0 "[ . 1 . 2]" 1
871 1 65 LYS QB 1 65 LYS QD . . 3.470 2.349 2.166 2.507 . 0 0 "[ . 1 . 2]" 1
872 1 65 LYS QB 1 69 VAL QG . . 4.870 3.815 2.638 4.459 . 0 0 "[ . 1 . 2]" 1
873 1 65 LYS QD 1 65 LYS QG . . 2.440 2.030 2.001 2.113 . 0 0 "[ . 1 . 2]" 1
874 1 65 LYS QD 1 69 VAL QG . . 4.400 3.584 3.055 3.898 . 0 0 "[ . 1 . 2]" 1
875 1 65 LYS QE 1 65 LYS QG . . 3.390 2.162 1.968 2.361 . 0 0 "[ . 1 . 2]" 1
876 1 65 LYS QE 1 68 THR HB . . 4.540 6.362 5.850 6.692 2.152 16 20 [*****-*********+****] 1
877 1 65 LYS QE 1 68 THR MG . . 3.650 3.718 3.340 3.842 0.192 9 0 "[ . 1 . 2]" 1
878 1 65 LYS QE 1 69 VAL QG . . 4.050 2.342 1.856 3.050 . 0 0 "[ . 1 . 2]" 1
879 1 65 LYS QG 1 68 THR HB . . 5.040 5.438 4.843 6.187 1.147 20 9 "[ * .****1 * * -+]" 1
880 1 65 LYS QG 1 69 VAL QG . . 4.140 2.720 2.185 3.246 . 0 0 "[ . 1 . 2]" 1
881 1 66 GLN H 1 66 GLN HB2 . . 3.460 2.210 2.020 3.295 . 0 0 "[ . 1 . 2]" 1
882 1 66 GLN H 1 66 GLN HB3 . . 3.570 3.392 2.053 3.547 . 0 0 "[ . 1 . 2]" 1
883 1 66 GLN H 1 66 GLN QG . . 3.680 2.764 2.499 3.224 . 0 0 "[ . 1 . 2]" 1
884 1 66 GLN H 1 67 HIS H . . 3.410 2.846 2.424 3.020 . 0 0 "[ . 1 . 2]" 1
885 1 66 GLN HA 1 66 GLN HE21 . . 4.980 4.345 3.632 4.851 . 0 0 "[ . 1 . 2]" 1
886 1 66 GLN HA 1 66 GLN QG . . 3.700 2.496 2.163 3.503 . 0 0 "[ . 1 . 2]" 1
887 1 66 GLN HA 1 67 HIS HA . . 5.040 4.645 4.517 4.758 . 0 0 "[ . 1 . 2]" 1
888 1 66 GLN HA 1 69 VAL HB . . 3.550 2.684 2.343 3.095 . 0 0 "[ . 1 . 2]" 1
889 1 66 GLN HA 1 69 VAL QG . . 4.000 3.324 3.020 3.672 . 0 0 "[ . 1 . 2]" 1
890 1 66 GLN HA 1 70 THR H . . 3.410 3.378 3.121 3.511 0.101 14 0 "[ . 1 . 2]" 1
891 1 66 GLN HA 1 70 THR HB . . 3.820 4.436 3.960 4.728 0.908 20 13 "[* **-***** *.* * +]" 1
892 1 66 GLN HB2 1 66 GLN HE21 . . 4.420 4.113 2.110 4.693 0.273 9 0 "[ . 1 . 2]" 1
893 1 66 GLN HB2 1 67 HIS H . . 4.570 3.125 2.751 4.220 . 0 0 "[ . 1 . 2]" 1
894 1 66 GLN HB3 1 66 GLN HE21 . . 4.500 3.589 2.183 4.483 . 0 0 "[ . 1 . 2]" 1
895 1 66 GLN HB3 1 67 HIS H . . 4.130 3.448 2.840 3.930 . 0 0 "[ . 1 . 2]" 1
896 1 67 HIS H 1 67 HIS QB . . 3.440 2.429 2.035 2.867 . 0 0 "[ . 1 . 2]" 1
897 1 67 HIS H 1 68 THR H . . 3.560 2.708 2.465 3.030 . 0 0 "[ . 1 . 2]" 1
898 1 67 HIS HA 1 67 HIS HD2 . . 4.310 4.698 4.471 4.857 0.547 10 5 "[* * *+ . - 2]" 1
899 1 67 HIS HA 1 70 THR H . . 4.270 3.659 3.427 3.957 . 0 0 "[ . 1 . 2]" 1
900 1 67 HIS HA 1 70 THR HB . . 3.700 3.404 3.033 3.825 0.125 2 0 "[ . 1 . 2]" 1
901 1 67 HIS HA 1 70 THR MG . . 4.590 4.692 4.413 4.782 0.192 5 0 "[ . 1 . 2]" 1
902 1 67 HIS HA 1 71 THR MG . . 5.120 3.865 3.559 4.761 . 0 0 "[ . 1 . 2]" 1
903 1 67 HIS HA 1 86 MET ME . . 5.350 5.032 4.575 5.288 . 0 0 "[ . 1 . 2]" 1
904 1 67 HIS QB 1 68 THR H . . 4.160 2.661 2.283 3.585 . 0 0 "[ . 1 . 2]" 1
905 1 67 HIS QB 1 68 THR MG . . 4.930 4.553 4.198 5.137 0.207 14 0 "[ . 1 . 2]" 1
906 1 68 THR H 1 68 THR HB . . 3.400 2.211 2.073 2.384 . 0 0 "[ . 1 . 2]" 1
907 1 68 THR H 1 69 VAL H . . 3.450 2.810 2.602 2.961 . 0 0 "[ . 1 . 2]" 1
908 1 68 THR H 1 70 THR H . . 4.010 4.818 4.493 5.122 1.112 5 19 "[****+-****** *******]" 1
909 1 68 THR HA 1 68 THR HB . . 3.030 2.568 2.471 2.649 . 0 0 "[ . 1 . 2]" 1
910 1 68 THR HA 1 68 THR MG . . 3.280 3.223 3.186 3.291 0.011 9 0 "[ . 1 . 2]" 1
911 1 68 THR HA 1 78 PHE QD . . 4.580 3.235 2.914 3.490 . 0 0 "[ . 1 . 2]" 1
912 1 68 THR HA 1 78 PHE QE . . 3.700 3.631 2.895 3.834 0.134 9 0 "[ . 1 . 2]" 1
913 1 68 THR HB 1 69 VAL H . . 3.430 4.226 3.943 4.421 0.991 8 20 [*******+-***********] 1
914 1 68 THR HB 1 69 VAL QG . . 4.290 4.638 4.355 4.924 0.634 1 2 "[+ . 1- . 2]" 1
915 1 68 THR MG 1 69 VAL QG . . 3.070 2.391 2.091 2.717 . 0 0 "[ . 1 . 2]" 1
916 1 68 THR MG 1 78 PHE QD . . 5.360 5.176 4.660 5.712 0.352 9 0 "[ . 1 . 2]" 1
917 1 68 THR MG 1 78 PHE QE . . 3.950 5.752 5.213 6.025 2.075 15 20 [************-*+*****] 1
918 1 69 VAL H 1 69 VAL HB . . 3.050 2.384 2.240 2.582 . 0 0 "[ . 1 . 2]" 1
919 1 69 VAL HA 1 69 VAL HB . . 2.970 3.039 3.023 3.058 0.088 9 0 "[ . 1 . 2]" 1
920 1 69 VAL HA 1 69 VAL QG . . 2.770 2.169 2.113 2.214 . 0 0 "[ . 1 . 2]" 1
921 1 69 VAL HA 1 70 THR HA . . 4.710 4.615 4.553 4.636 . 0 0 "[ . 1 . 2]" 1
922 1 69 VAL HA 1 71 THR H . . 4.600 5.196 4.883 5.277 0.677 17 17 "[*****- *******. +***]" 1
923 1 69 VAL HA 1 72 THR H . . 4.640 4.394 4.016 4.738 0.098 13 0 "[ . 1 . 2]" 1
924 1 69 VAL HA 1 72 THR HB . . 3.830 3.811 3.547 3.979 0.149 2 0 "[ . 1 . 2]" 1
925 1 69 VAL HA 1 72 THR MG . . 3.720 4.656 4.211 5.046 1.326 9 19 "[********+* *-*******]" 1
926 1 69 VAL HB 1 70 THR H . . 3.260 2.495 2.187 2.968 . 0 0 "[ . 1 . 2]" 1
927 1 69 VAL QG 1 70 THR HA . . 4.110 3.211 2.896 3.471 . 0 0 "[ . 1 . 2]" 1
928 1 69 VAL QG 1 72 THR HB . . 4.750 4.608 4.400 4.794 0.044 1 0 "[ . 1 . 2]" 1
929 1 69 VAL QG 1 73 THR HB . . 4.720 6.309 5.141 7.622 2.902 11 19 "[-****** **+*********]" 1
930 1 70 THR H 1 70 THR HB . . 2.850 2.441 2.259 2.685 . 0 0 "[ . 1 . 2]" 1
931 1 71 THR H 1 71 THR HB . . 3.230 2.280 2.118 2.526 . 0 0 "[ . 1 . 2]" 1
932 1 71 THR H 1 72 THR H . . 2.910 2.408 2.189 2.597 . 0 0 "[ . 1 . 2]" 1
933 1 71 THR H 1 72 THR HB . . 4.990 4.413 3.895 4.883 . 0 0 "[ . 1 . 2]" 1
934 1 71 THR HB 1 72 THR H . . 3.840 2.993 2.702 3.452 . 0 0 "[ . 1 . 2]" 1
935 1 71 THR HB 1 76 GLU QG . . 4.020 4.035 3.845 4.105 0.085 5 0 "[ . 1 . 2]" 1
936 1 71 THR HB 1 78 PHE QE . . 4.830 2.571 2.103 2.947 . 0 0 "[ . 1 . 2]" 1
937 1 71 THR MG 1 72 THR HA . . 4.530 3.843 3.563 4.212 . 0 0 "[ . 1 . 2]" 1
938 1 71 THR MG 1 76 GLU HA . . 4.380 4.436 4.285 4.512 0.132 13 0 "[ . 1 . 2]" 1
939 1 71 THR MG 1 76 GLU QB . . 3.540 2.032 1.914 2.308 . 0 0 "[ . 1 . 2]" 1
940 1 71 THR MG 1 77 ASN HA . . 4.770 4.968 4.932 4.985 0.215 6 0 "[ . 1 . 2]" 1
941 1 71 THR MG 1 78 PHE QD . . 4.440 4.158 3.909 4.433 . 0 0 "[ . 1 . 2]" 1
942 1 71 THR MG 1 78 PHE QE . . 4.280 2.418 2.164 2.933 . 0 0 "[ . 1 . 2]" 1
943 1 72 THR H 1 72 THR HB . . 2.910 2.398 2.110 2.699 . 0 0 "[ . 1 . 2]" 1
944 1 72 THR HA 1 72 THR MG . . 3.020 2.454 2.226 2.694 . 0 0 "[ . 1 . 2]" 1
945 1 72 THR HA 1 73 THR H . . 3.330 2.233 2.124 2.623 . 0 0 "[ . 1 . 2]" 1
946 1 72 THR HA 1 75 GLY H . . 4.340 4.060 3.208 4.468 0.128 12 0 "[ . 1 . 2]" 1
947 1 72 THR HA 1 76 GLU H . . 4.020 3.695 2.644 4.137 0.117 4 0 "[ . 1 . 2]" 1
948 1 72 THR HA 1 76 GLU QB . . 4.270 3.303 2.325 4.195 . 0 0 "[ . 1 . 2]" 1
949 1 72 THR HA 1 76 GLU QG . . 5.180 4.515 4.055 4.928 . 0 0 "[ . 1 . 2]" 1
950 1 73 THR H 1 73 THR HA . . 2.830 2.762 2.229 2.932 0.102 3 0 "[ . 1 . 2]" 1
951 1 73 THR HA 1 73 THR MG . . 2.820 2.414 2.237 2.639 . 0 0 "[ . 1 . 2]" 1
952 1 73 THR HA 1 74 LYS HG3 . . 5.500 3.963 3.254 5.194 . 0 0 "[ . 1 . 2]" 1
953 1 73 THR HA 1 75 GLY H . . 4.340 4.754 3.429 5.469 1.129 12 11 "[ ***. * *1*+ ** -*2]" 1
954 1 73 THR MG 1 74 LYS HA . . 4.580 4.256 3.455 4.901 0.321 5 0 "[ . 1 . 2]" 1
955 1 73 THR MG 1 74 LYS HB2 . . 4.760 3.488 2.597 4.650 . 0 0 "[ . 1 . 2]" 1
956 1 73 THR MG 1 74 LYS HB3 . . 4.710 4.497 3.955 4.931 0.221 14 0 "[ . 1 . 2]" 1
957 1 73 THR MG 1 74 LYS QD . . 4.510 3.594 2.939 4.088 . 0 0 "[ . 1 . 2]" 1
958 1 73 THR MG 1 74 LYS QE . . 4.230 2.966 2.195 4.000 . 0 0 "[ . 1 . 2]" 1
959 1 73 THR MG 1 74 LYS HG3 . . 2.950 2.344 2.014 3.545 0.595 13 2 "[ .- 1 + . 2]" 1
960 1 74 LYS H 1 74 LYS HB2 . . 3.870 3.107 2.625 3.848 . 0 0 "[ . 1 . 2]" 1
961 1 74 LYS H 1 74 LYS HB3 . . 3.840 3.888 3.704 4.012 0.172 13 0 "[ . 1 . 2]" 1
962 1 74 LYS H 1 75 GLY H . . 3.530 2.844 2.177 3.472 . 0 0 "[ . 1 . 2]" 1
963 1 74 LYS HA 1 74 LYS HB3 . . 2.960 2.393 2.273 2.506 . 0 0 "[ . 1 . 2]" 1
964 1 74 LYS HA 1 74 LYS QD . . 3.670 3.779 3.325 3.853 0.183 15 0 "[ . 1 . 2]" 1
965 1 74 LYS HA 1 74 LYS QE . . 4.630 4.289 2.494 4.807 0.177 7 0 "[ . 1 . 2]" 1
966 1 74 LYS HA 1 74 LYS HG2 . . 3.700 2.466 2.254 2.951 . 0 0 "[ . 1 . 2]" 1
967 1 74 LYS HA 1 74 LYS HG3 . . 3.290 3.307 2.910 3.850 0.560 13 1 "[ . 1 + . 2]" 1
968 1 74 LYS HA 1 75 GLY H . . 3.190 2.773 2.254 3.296 0.106 13 0 "[ . 1 . 2]" 1
969 1 74 LYS HA 1 75 GLY HA3 . . 4.670 4.784 4.469 5.153 0.483 8 0 "[ . 1 . 2]" 1
970 1 74 LYS HB2 1 75 GLY H . . 4.540 4.251 3.492 4.531 . 0 0 "[ . 1 . 2]" 1
971 1 74 LYS HB3 1 74 LYS QE . . 4.930 3.903 2.619 4.154 . 0 0 "[ . 1 . 2]" 1
972 1 74 LYS HB3 1 75 GLY H . . 4.430 4.419 4.100 4.601 0.171 5 0 "[ . 1 . 2]" 1
973 1 74 LYS QD 1 74 LYS HG2 . . 2.430 2.327 2.122 2.449 0.019 6 0 "[ . 1 . 2]" 1
974 1 74 LYS QE 1 74 LYS HG3 . . 3.470 2.425 2.050 3.345 . 0 0 "[ . 1 . 2]" 1
975 1 75 GLY H 1 76 GLU H . . 3.460 3.067 1.770 3.546 0.086 15 0 "[ . 1 . 2]" 1
976 1 75 GLY HA2 1 76 GLU HA . . 5.050 4.621 4.320 4.822 . 0 0 "[ . 1 . 2]" 1
977 1 76 GLU H 1 76 GLU QB . . 2.820 2.195 1.921 2.867 0.047 6 0 "[ . 1 . 2]" 1
978 1 76 GLU H 1 77 ASN H . . 4.320 4.579 4.226 4.749 0.429 14 0 "[ . 1 . 2]" 1
979 1 76 GLU HA 1 76 GLU QB . . 2.760 2.394 2.194 2.507 . 0 0 "[ . 1 . 2]" 1
980 1 76 GLU HA 1 76 GLU QG . . 3.170 2.752 2.410 3.073 . 0 0 "[ . 1 . 2]" 1
981 1 76 GLU HA 1 77 ASN H . . 2.710 2.381 2.054 2.630 . 0 0 "[ . 1 . 2]" 1
982 1 76 GLU HA 1 77 ASN HB3 . . 4.780 4.660 4.055 5.087 0.307 8 0 "[ . 1 . 2]" 1
983 1 76 GLU HA 1 77 ASN QD . . 5.170 6.262 2.568 6.779 1.609 13 19 "[*****-******+*** ***]" 1
984 1 76 GLU QB 1 77 ASN H . . 3.290 3.524 3.171 3.845 0.555 7 1 "[ . + 1 . 2]" 1
985 1 76 GLU QB 1 77 ASN HA . . 4.860 4.208 3.216 5.011 0.151 10 0 "[ . 1 . 2]" 1
986 1 76 GLU QB 1 78 PHE H . . 4.910 5.125 4.733 5.325 0.415 1 0 "[ . 1 . 2]" 1
987 1 76 GLU QB 1 78 PHE QD . . 4.780 4.905 4.294 5.105 0.325 6 0 "[ . 1 . 2]" 1
988 1 76 GLU QB 1 78 PHE QE . . 4.480 3.836 3.470 4.252 . 0 0 "[ . 1 . 2]" 1
989 1 76 GLU QG 1 78 PHE QD . . 4.970 3.670 3.388 4.083 . 0 0 "[ . 1 . 2]" 1
990 1 76 GLU QG 1 78 PHE QE . . 4.670 2.890 2.484 3.448 . 0 0 "[ . 1 . 2]" 1
991 1 77 ASN H 1 77 ASN HB2 . . 4.000 3.505 3.089 3.715 . 0 0 "[ . 1 . 2]" 1
992 1 77 ASN H 1 77 ASN HB3 . . 3.390 2.997 2.411 3.433 0.043 17 0 "[ . 1 . 2]" 1
993 1 77 ASN H 1 77 ASN QD . . 4.960 4.558 2.658 4.815 . 0 0 "[ . 1 . 2]" 1
994 1 77 ASN H 1 78 PHE H . . 4.010 3.863 3.521 4.105 0.095 15 0 "[ . 1 . 2]" 1
995 1 77 ASN H 1 78 PHE QB . . 5.500 5.542 5.251 5.765 0.265 10 0 "[ . 1 . 2]" 1
996 1 77 ASN HA 1 77 ASN HB2 . . 2.880 2.435 2.252 2.698 . 0 0 "[ . 1 . 2]" 1
997 1 77 ASN HA 1 77 ASN HB3 . . 2.880 2.982 2.536 3.021 0.141 16 0 "[ . 1 . 2]" 1
998 1 77 ASN HA 1 78 PHE H . . 2.800 2.118 2.009 2.238 . 0 0 "[ . 1 . 2]" 1
999 1 77 ASN HA 1 79 THR MG . . 5.250 5.444 5.393 5.471 0.221 5 0 "[ . 1 . 2]" 1
1000 1 77 ASN HB2 1 78 PHE H . . 4.120 4.226 3.732 4.573 0.453 5 0 "[ . 1 . 2]" 1
1001 1 77 ASN HB2 1 79 THR MG . . 5.150 5.264 4.165 5.462 0.312 10 0 "[ . 1 . 2]" 1
1002 1 77 ASN HB3 1 78 PHE H . . 4.820 4.316 3.992 4.577 . 0 0 "[ . 1 . 2]" 1
1003 1 77 ASN HB3 1 79 THR MG . . 5.190 4.261 3.779 5.368 0.178 17 0 "[ . 1 . 2]" 1
1004 1 78 PHE H 1 78 PHE QB . . 3.240 2.558 2.414 2.751 . 0 0 "[ . 1 . 2]" 1
1005 1 78 PHE H 1 79 THR H . . 4.800 4.412 4.291 4.543 . 0 0 "[ . 1 . 2]" 1
1006 1 78 PHE HA 1 79 THR H . . 3.150 2.182 2.095 2.279 . 0 0 "[ . 1 . 2]" 1
1007 1 78 PHE HA 1 79 THR MG . . 4.430 3.884 3.554 4.282 . 0 0 "[ . 1 . 2]" 1
1008 1 78 PHE HA 1 82 ASP QB . . 4.480 2.657 2.329 2.892 . 0 0 "[ . 1 . 2]" 1
1009 1 78 PHE HA 1 86 MET ME . . 5.310 4.609 4.131 5.006 . 0 0 "[ . 1 . 2]" 1
1010 1 78 PHE QB 1 79 THR H . . 4.810 3.449 3.272 3.634 . 0 0 "[ . 1 . 2]" 1
1011 1 78 PHE QB 1 82 ASP QB . . 4.560 2.221 1.949 2.513 . 0 0 "[ . 1 . 2]" 1
1012 1 78 PHE QB 1 83 VAL QG . . 4.420 2.570 2.087 3.150 . 0 0 "[ . 1 . 2]" 1
1013 1 78 PHE QB 1 86 MET ME . . 3.640 2.586 2.225 2.920 . 0 0 "[ . 1 . 2]" 1
1014 1 78 PHE QD 1 86 MET ME . . 4.830 2.733 2.323 3.064 . 0 0 "[ . 1 . 2]" 1
1015 1 78 PHE QE 1 82 ASP QB . . 4.010 4.539 4.158 4.886 0.876 14 9 "[ ** * *1* -+.* * 2]" 1
1016 1 78 PHE QE 1 86 MET ME . . 3.460 3.141 2.731 3.454 . 0 0 "[ . 1 . 2]" 1
1017 1 79 THR H 1 82 ASP H . . 4.440 3.458 3.044 3.907 . 0 0 "[ . 1 . 2]" 1
1018 1 79 THR H 1 82 ASP QB . . 3.730 2.561 2.148 2.819 . 0 0 "[ . 1 . 2]" 1
1019 1 79 THR H 1 83 VAL H . . 4.990 4.342 4.060 4.604 . 0 0 "[ . 1 . 2]" 1
1020 1 79 THR HA 1 79 THR HB . . 2.850 2.548 2.436 2.701 . 0 0 "[ . 1 . 2]" 1
1021 1 79 THR HA 1 79 THR MG . . 2.940 2.319 2.144 2.479 . 0 0 "[ . 1 . 2]" 1
1022 1 79 THR HA 1 80 GLU H . . 3.080 2.565 2.348 2.753 . 0 0 "[ . 1 . 2]" 1
1023 1 79 THR HA 1 81 THR H . . 4.440 4.362 4.024 4.528 0.088 19 0 "[ . 1 . 2]" 1
1024 1 79 THR HB 1 80 GLU H . . 3.410 2.481 2.271 2.963 . 0 0 "[ . 1 . 2]" 1
1025 1 79 THR HB 1 80 GLU HA . . 4.660 4.849 4.695 5.036 0.376 5 0 "[ . 1 . 2]" 1
1026 1 79 THR HB 1 81 THR H . . 3.390 2.843 2.617 3.068 . 0 0 "[ . 1 . 2]" 1
1027 1 79 THR HB 1 81 THR HB . . 4.790 3.839 3.287 4.088 . 0 0 "[ . 1 . 2]" 1
1028 1 79 THR HB 1 81 THR MG . . 5.140 5.202 4.763 5.342 0.202 20 0 "[ . 1 . 2]" 1
1029 1 79 THR HB 1 82 ASP H . . 3.870 3.907 3.672 3.974 0.104 15 0 "[ . 1 . 2]" 1
1030 1 79 THR MG 1 80 GLU HB2 . . 5.500 5.357 4.862 5.600 0.100 20 0 "[ . 1 . 2]" 1
1031 1 79 THR MG 1 81 THR HB . . 4.890 4.557 4.101 4.777 . 0 0 "[ . 1 . 2]" 1
1032 1 79 THR MG 1 81 THR MG . . 5.230 5.400 5.092 5.500 0.270 19 0 "[ . 1 . 2]" 1
1033 1 80 GLU H 1 80 GLU HB2 . . 3.280 2.160 1.988 2.386 . 0 0 "[ . 1 . 2]" 1
1034 1 80 GLU H 1 80 GLU HB3 . . 3.570 2.825 2.439 3.455 . 0 0 "[ . 1 . 2]" 1
1035 1 80 GLU H 1 81 THR H . . 3.510 2.819 2.660 2.995 . 0 0 "[ . 1 . 2]" 1
1036 1 80 GLU H 1 81 THR HB . . 4.950 5.017 4.915 5.062 0.112 16 0 "[ . 1 . 2]" 1
1037 1 80 GLU HA 1 80 GLU QG . . 3.300 2.434 2.221 2.863 . 0 0 "[ . 1 . 2]" 1
1038 1 80 GLU HA 1 82 ASP H . . 4.940 4.205 3.619 4.698 . 0 0 "[ . 1 . 2]" 1
1039 1 80 GLU HA 1 83 VAL H . . 3.840 3.265 2.767 3.459 . 0 0 "[ . 1 . 2]" 1
1040 1 80 GLU HA 1 83 VAL HB . . 2.770 2.660 2.065 3.965 1.195 7 6 "[ *. + 1** -* 2]" 1
1041 1 80 GLU HA 1 83 VAL QG . . 3.680 2.421 1.779 2.860 . 0 0 "[ . 1 . 2]" 1
1042 1 80 GLU HB2 1 81 THR H . . 3.870 3.706 2.894 3.982 0.112 12 0 "[ . 1 . 2]" 1
1043 1 80 GLU HB3 1 81 THR H . . 3.890 2.849 2.395 3.534 . 0 0 "[ . 1 . 2]" 1
1044 1 80 GLU QG 1 84 LYS QD . . 4.740 4.798 2.794 6.328 1.588 18 9 "[ *.* 1 **** *+ -]" 1
1045 1 80 GLU QG 1 84 LYS QE . . 4.650 3.665 2.194 4.481 . 0 0 "[ . 1 . 2]" 1
1046 1 81 THR H 1 81 THR HB . . 3.000 2.479 2.324 2.659 . 0 0 "[ . 1 . 2]" 1
1047 1 81 THR H 1 82 ASP H . . 3.270 2.644 2.288 2.901 . 0 0 "[ . 1 . 2]" 1
1048 1 81 THR HA 1 81 THR MG . . 3.400 2.404 2.241 2.561 . 0 0 "[ . 1 . 2]" 1
1049 1 81 THR HA 1 84 LYS H . . 4.180 3.778 3.368 4.265 0.085 16 0 "[ . 1 . 2]" 1
1050 1 81 THR HA 1 84 LYS QB . . 3.880 3.665 3.079 4.056 0.176 18 0 "[ . 1 . 2]" 1
1051 1 81 THR HA 1 84 LYS QD . . 4.160 3.686 2.141 4.341 0.181 9 0 "[ . 1 . 2]" 1
1052 1 81 THR HA 1 84 LYS QE . . 4.380 2.624 1.974 4.303 . 0 0 "[ . 1 . 2]" 1
1053 1 81 THR HA 1 84 LYS HG3 . . 5.090 4.064 3.602 5.121 0.031 14 0 "[ . 1 . 2]" 1
1054 1 81 THR HB 1 82 ASP H . . 3.540 2.708 2.216 3.088 . 0 0 "[ . 1 . 2]" 1
1055 1 81 THR HB 1 85 MET ME . . 5.090 5.234 4.945 5.302 0.212 11 0 "[ . 1 . 2]" 1
1056 1 81 THR MG 1 82 ASP HA . . 4.540 3.688 3.117 3.915 . 0 0 "[ . 1 . 2]" 1
1057 1 81 THR MG 1 84 LYS QD . . 5.120 4.242 3.003 5.324 0.204 19 0 "[ . 1 . 2]" 1
1058 1 81 THR MG 1 84 LYS QE . . 5.280 3.704 3.137 5.092 . 0 0 "[ . 1 . 2]" 1
1059 1 81 THR MG 1 85 MET ME . . 3.300 2.865 2.513 3.096 . 0 0 "[ . 1 . 2]" 1
1060 1 81 THR MG 1 85 MET HG2 . . 4.030 4.114 3.415 4.473 0.443 7 0 "[ . 1 . 2]" 1
1061 1 81 THR MG 1 85 MET HG3 . . 4.290 3.558 3.049 4.488 0.198 10 0 "[ . 1 . 2]" 1
1062 1 82 ASP H 1 82 ASP QB . . 3.800 2.431 2.197 2.595 . 0 0 "[ . 1 . 2]" 1
1063 1 82 ASP H 1 83 VAL H . . 3.540 2.375 2.042 2.825 . 0 0 "[ . 1 . 2]" 1
1064 1 82 ASP H 1 84 LYS H . . 4.840 4.182 3.845 4.455 . 0 0 "[ . 1 . 2]" 1
1065 1 82 ASP HA 1 85 MET H . . 4.240 3.288 3.007 3.518 . 0 0 "[ . 1 . 2]" 1
1066 1 82 ASP HA 1 85 MET QB . . 3.670 2.647 2.259 3.022 . 0 0 "[ . 1 . 2]" 1
1067 1 82 ASP HA 1 85 MET ME . . 5.010 4.486 4.103 4.889 . 0 0 "[ . 1 . 2]" 1
1068 1 82 ASP HA 1 85 MET HG2 . . 4.480 3.922 2.845 4.901 0.421 7 0 "[ . 1 . 2]" 1
1069 1 82 ASP HA 1 85 MET HG3 . . 5.020 2.819 2.259 4.751 . 0 0 "[ . 1 . 2]" 1
1070 1 82 ASP QB 1 86 MET ME . . 3.960 3.774 3.118 3.986 0.026 16 0 "[ . 1 . 2]" 1
1071 1 83 VAL H 1 83 VAL HB . . 3.260 2.563 2.024 3.557 0.297 15 0 "[ . 1 . 2]" 1
1072 1 83 VAL H 1 84 LYS H . . 3.240 2.969 2.774 3.106 . 0 0 "[ . 1 . 2]" 1
1073 1 83 VAL HA 1 83 VAL QG . . 3.020 2.184 2.073 2.361 . 0 0 "[ . 1 . 2]" 1
1074 1 83 VAL HA 1 86 MET H . . 4.980 3.363 3.012 3.611 . 0 0 "[ . 1 . 2]" 1
1075 1 83 VAL HA 1 86 MET QB . . 3.990 2.731 2.286 4.093 0.103 15 0 "[ . 1 . 2]" 1
1076 1 83 VAL HA 1 86 MET ME . . 2.950 3.583 3.065 4.046 1.096 14 13 "[** *. - *1 *+******]" 1
1077 1 83 VAL HA 1 87 GLU H . . 4.530 3.873 3.607 4.198 . 0 0 "[ . 1 . 2]" 1
1078 1 83 VAL HB 1 84 LYS H . . 3.530 3.091 2.600 3.640 0.110 4 0 "[ . 1 . 2]" 1
1079 1 83 VAL QG 1 86 MET QB . . 5.500 3.759 3.042 4.974 . 0 0 "[ . 1 . 2]" 1
1080 1 83 VAL QG 1 86 MET ME . . 3.580 3.390 2.809 3.726 0.146 16 0 "[ . 1 . 2]" 1
1081 1 84 LYS H 1 84 LYS QB . . 3.600 2.408 2.234 2.507 . 0 0 "[ . 1 . 2]" 1
1082 1 84 LYS H 1 85 MET H . . 3.580 2.808 2.587 3.019 . 0 0 "[ . 1 . 2]" 1
1083 1 84 LYS HA 1 84 LYS QD . . 3.900 4.180 3.935 4.419 0.519 2 3 "[ + . 1 - * 2]" 1
1084 1 84 LYS HA 1 84 LYS QE . . 4.730 4.494 4.175 4.917 0.187 10 0 "[ . 1 . 2]" 1
1085 1 84 LYS HA 1 84 LYS HG2 . . 3.820 3.169 2.336 3.967 0.147 6 0 "[ . 1 . 2]" 1
1086 1 84 LYS HA 1 84 LYS HG3 . . 3.640 3.300 2.763 3.810 0.170 2 0 "[ . 1 . 2]" 1
1087 1 84 LYS HA 1 87 GLU H . . 4.100 3.538 3.162 3.934 . 0 0 "[ . 1 . 2]" 1
1088 1 84 LYS HA 1 87 GLU HB2 . . 3.560 2.843 2.448 3.420 . 0 0 "[ . 1 . 2]" 1
1089 1 84 LYS QB 1 84 LYS QD . . 3.500 2.247 2.121 2.430 . 0 0 "[ . 1 . 2]" 1
1090 1 84 LYS QB 1 84 LYS QE . . 4.310 2.339 1.928 3.610 . 0 0 "[ . 1 . 2]" 1
1091 1 84 LYS QB 1 85 MET H . . 3.720 3.207 2.438 3.781 0.061 17 0 "[ . 1 . 2]" 1
1092 1 84 LYS QE 1 85 MET ME . . 5.280 4.757 4.057 5.470 0.190 16 0 "[ . 1 . 2]" 1
1093 1 85 MET H 1 85 MET QB . . 3.410 2.439 2.190 2.629 . 0 0 "[ . 1 . 2]" 1
1094 1 85 MET H 1 86 MET H . . 3.740 2.445 2.315 2.667 . 0 0 "[ . 1 . 2]" 1
1095 1 85 MET H 1 87 GLU H . . 4.680 4.140 3.630 4.400 . 0 0 "[ . 1 . 2]" 1
1096 1 85 MET HA 1 85 MET ME . . 4.240 3.877 3.538 4.280 0.040 1 0 "[ . 1 . 2]" 1
1097 1 85 MET HA 1 85 MET HG2 . . 3.980 2.613 2.172 3.580 . 0 0 "[ . 1 . 2]" 1
1098 1 85 MET QB 1 86 MET H . . 4.510 2.587 2.257 2.864 . 0 0 "[ . 1 . 2]" 1
1099 1 85 MET ME 1 85 MET HG2 . . 3.660 2.214 2.059 2.452 . 0 0 "[ . 1 . 2]" 1
1100 1 85 MET ME 1 85 MET HG3 . . 4.020 2.565 2.258 2.835 . 0 0 "[ . 1 . 2]" 1
1101 1 86 MET H 1 86 MET QB . . 3.830 2.521 2.395 2.750 . 0 0 "[ . 1 . 2]" 1
1102 1 86 MET H 1 87 GLU H . . 3.840 2.778 2.661 2.915 . 0 0 "[ . 1 . 2]" 1
1103 1 86 MET HA 1 86 MET ME . . 4.380 4.409 3.847 4.554 0.174 12 0 "[ . 1 . 2]" 1
1104 1 86 MET HA 1 89 VAL H . . 4.240 3.511 3.348 3.677 . 0 0 "[ . 1 . 2]" 1
1105 1 86 MET HA 1 89 VAL HB . . 3.710 3.324 2.509 3.863 0.153 5 0 "[ . 1 . 2]" 1
1106 1 86 MET HA 1 89 VAL QG . . 3.640 2.649 2.034 3.359 . 0 0 "[ . 1 . 2]" 1
1107 1 86 MET HA 1 90 VAL H . . 4.530 3.567 3.347 3.813 . 0 0 "[ . 1 . 2]" 1
1108 1 86 MET HA 1 90 VAL QG . . 4.580 3.029 2.592 3.351 . 0 0 "[ . 1 . 2]" 1
1109 1 86 MET QB 1 86 MET ME . . 3.450 2.526 2.332 3.078 . 0 0 "[ . 1 . 2]" 1
1110 1 86 MET QB 1 87 GLU H . . 4.120 2.502 2.229 3.484 . 0 0 "[ . 1 . 2]" 1
1111 1 86 MET QB 1 87 GLU HA . . 4.770 3.930 3.788 4.421 . 0 0 "[ . 1 . 2]" 1
1112 1 86 MET QB 1 90 VAL QG . . 5.090 2.942 2.663 3.241 . 0 0 "[ . 1 . 2]" 1
1113 1 86 MET ME 1 86 MET QG . . 3.540 2.187 2.028 2.304 . 0 0 "[ . 1 . 2]" 1
1114 1 86 MET QG 1 90 VAL QG . . 5.420 4.312 3.801 4.660 . 0 0 "[ . 1 . 2]" 1
1115 1 87 GLU H 1 87 GLU HB2 . . 3.280 2.424 2.183 2.502 . 0 0 "[ . 1 . 2]" 1
1116 1 87 GLU H 1 87 GLU HB3 . . 3.590 3.610 3.500 3.653 0.063 14 0 "[ . 1 . 2]" 1
1117 1 87 GLU H 1 88 ARG H . . 3.750 2.880 2.720 3.112 . 0 0 "[ . 1 . 2]" 1
1118 1 87 GLU HA 1 87 GLU HG2 . . 3.700 2.318 2.162 2.583 . 0 0 "[ . 1 . 2]" 1
1119 1 87 GLU HA 1 87 GLU HG3 . . 3.560 3.114 2.596 3.686 0.126 4 0 "[ . 1 . 2]" 1
1120 1 87 GLU HA 1 88 ARG HA . . 4.830 4.799 4.675 4.875 0.045 7 0 "[ . 1 . 2]" 1
1121 1 87 GLU HA 1 90 VAL HB . . 3.780 3.152 2.727 3.919 0.139 17 0 "[ . 1 . 2]" 1
1122 1 87 GLU HA 1 90 VAL QG . . 5.240 3.753 3.444 4.333 . 0 0 "[ . 1 . 2]" 1
1123 1 87 GLU HA 1 91 GLU H . . 4.420 3.829 3.577 4.409 . 0 0 "[ . 1 . 2]" 1
1124 1 87 GLU HB2 1 88 ARG H . . 4.040 2.808 2.375 3.064 . 0 0 "[ . 1 . 2]" 1
1125 1 87 GLU HB3 1 88 ARG H . . 3.240 3.527 3.022 3.794 0.554 9 5 "[ * . - +* .* 2]" 1
1126 1 88 ARG H 1 88 ARG HB3 . . 3.610 3.185 2.403 3.486 . 0 0 "[ . 1 . 2]" 1
1127 1 88 ARG H 1 88 ARG HG3 . . 4.920 4.242 3.906 4.440 . 0 0 "[ . 1 . 2]" 1
1128 1 88 ARG H 1 89 VAL H . . 3.400 2.860 2.656 3.001 . 0 0 "[ . 1 . 2]" 1
1129 1 88 ARG H 1 90 VAL H . . 4.820 4.361 4.188 4.586 . 0 0 "[ . 1 . 2]" 1
1130 1 88 ARG H 1 91 GLU H . . 4.610 4.761 4.628 5.025 0.415 10 0 "[ . 1 . 2]" 1
1131 1 88 ARG HA 1 88 ARG HD2 . . 3.510 3.029 2.184 3.672 0.162 6 0 "[ . 1 . 2]" 1
1132 1 88 ARG HA 1 88 ARG HD3 . . 3.510 2.866 2.111 3.663 0.153 7 0 "[ . 1 . 2]" 1
1133 1 88 ARG HA 1 88 ARG HG2 . . 3.700 2.930 2.270 3.796 0.096 11 0 "[ . 1 . 2]" 1
1134 1 88 ARG HA 1 88 ARG HG3 . . 3.720 3.039 2.217 3.580 . 0 0 "[ . 1 . 2]" 1
1135 1 88 ARG HA 1 91 GLU H . . 4.220 3.784 3.405 4.079 . 0 0 "[ . 1 . 2]" 1
1136 1 88 ARG HA 1 91 GLU HB2 . . 3.780 3.911 3.071 4.336 0.556 1 2 "[+ - . 1 . 2]" 1
1137 1 88 ARG HA 1 92 GLN H . . 4.560 4.152 3.712 4.672 0.112 10 0 "[ . 1 . 2]" 1
1138 1 88 ARG HB2 1 88 ARG HD2 . . 4.110 3.405 2.330 4.106 . 0 0 "[ . 1 . 2]" 1
1139 1 88 ARG HB2 1 88 ARG HD3 . . 4.120 3.102 2.166 3.663 . 0 0 "[ . 1 . 2]" 1
1140 1 88 ARG HB2 1 89 VAL H . . 3.470 3.078 2.659 3.593 0.123 7 0 "[ . 1 . 2]" 1
1141 1 88 ARG HB3 1 88 ARG HD3 . . 3.970 3.022 2.424 4.137 0.167 7 0 "[ . 1 . 2]" 1
1142 1 88 ARG HB3 1 88 ARG HE . . 5.090 4.576 4.004 5.035 . 0 0 "[ . 1 . 2]" 1
1143 1 88 ARG HB3 1 89 VAL H . . 3.950 2.559 2.154 2.874 . 0 0 "[ . 1 . 2]" 1
1144 1 89 VAL H 1 90 VAL H . . 3.460 2.772 2.670 2.999 . 0 0 "[ . 1 . 2]" 1
1145 1 89 VAL HA 1 89 VAL QG . . 3.250 2.152 2.042 2.246 . 0 0 "[ . 1 . 2]" 1
1146 1 89 VAL HA 1 92 GLN H . . 4.170 3.883 3.559 4.105 . 0 0 "[ . 1 . 2]" 1
1147 1 89 VAL HA 1 92 GLN HB2 . . 4.020 3.733 2.948 4.469 0.449 6 0 "[ . 1 . 2]" 1
1148 1 89 VAL QG 1 93 MET ME . . 3.800 2.867 2.189 3.440 . 0 0 "[ . 1 . 2]" 1
1149 1 89 VAL QG 1 93 MET HG2 . . 5.080 3.536 2.801 4.273 . 0 0 "[ . 1 . 2]" 1
1150 1 90 VAL H 1 90 VAL HB . . 3.240 2.404 2.285 2.563 . 0 0 "[ . 1 . 2]" 1
1151 1 90 VAL H 1 91 GLU H . . 3.200 2.746 2.628 2.879 . 0 0 "[ . 1 . 2]" 1
1152 1 90 VAL HA 1 90 VAL QG . . 3.030 2.177 2.129 2.229 . 0 0 "[ . 1 . 2]" 1
1153 1 90 VAL HA 1 93 MET H . . 3.940 3.280 3.155 3.442 . 0 0 "[ . 1 . 2]" 1
1154 1 90 VAL HA 1 93 MET HB3 . . 4.790 3.741 3.557 3.929 . 0 0 "[ . 1 . 2]" 1
1155 1 90 VAL HA 1 93 MET ME . . 2.960 4.060 3.724 4.153 1.193 19 20 [*****************-+*] 1
1156 1 90 VAL HA 1 93 MET HG2 . . 4.560 4.330 3.332 4.756 0.196 18 0 "[ . 1 . 2]" 1
1157 1 90 VAL HA 1 93 MET HG3 . . 4.540 3.391 2.599 4.056 . 0 0 "[ . 1 . 2]" 1
1158 1 90 VAL HB 1 91 GLU H . . 3.170 2.968 2.802 3.233 0.063 17 0 "[ . 1 . 2]" 1
1159 1 90 VAL QG 1 91 GLU HA . . 5.120 3.634 3.391 3.877 . 0 0 "[ . 1 . 2]" 1
1160 1 90 VAL QG 1 93 MET ME . . 5.500 3.841 3.574 4.014 . 0 0 "[ . 1 . 2]" 1
1161 1 91 GLU H 1 91 GLU HB3 . . 3.300 2.603 2.223 2.834 . 0 0 "[ . 1 . 2]" 1
1162 1 91 GLU H 1 92 GLN H . . 3.570 2.802 2.644 2.883 . 0 0 "[ . 1 . 2]" 1
1163 1 91 GLU HA 1 91 GLU HG2 . . 3.740 2.659 2.323 3.066 . 0 0 "[ . 1 . 2]" 1
1164 1 91 GLU HA 1 91 GLU HG3 . . 3.730 2.928 2.448 3.611 . 0 0 "[ . 1 . 2]" 1
1165 1 91 GLU HA 1 94 CYS H . . 3.690 3.457 3.250 3.747 0.057 4 0 "[ . 1 . 2]" 1
1166 1 91 GLU HA 1 94 CYS QB . . 4.480 2.829 2.309 3.341 . 0 0 "[ . 1 . 2]" 1
1167 1 91 GLU HB3 1 91 GLU HG2 . . 2.850 2.758 2.462 3.041 0.191 7 0 "[ . 1 . 2]" 1
1168 1 91 GLU HB3 1 92 GLN H . . 3.080 2.412 2.206 2.749 . 0 0 "[ . 1 . 2]" 1
1169 1 92 GLN H 1 92 GLN QE . . 3.730 4.346 1.921 5.470 1.740 8 14 "[****- *+*1* * * ***]" 1
1170 1 92 GLN H 1 92 GLN QG . . 4.180 3.380 2.330 3.848 . 0 0 "[ . 1 . 2]" 1
1171 1 92 GLN H 1 93 MET H . . 3.610 2.751 2.636 2.839 . 0 0 "[ . 1 . 2]" 1
1172 1 92 GLN H 1 94 CYS H . . 4.750 4.336 4.121 4.660 . 0 0 "[ . 1 . 2]" 1
1173 1 92 GLN HA 1 92 GLN HB3 . . 3.000 2.822 2.369 3.058 0.058 17 0 "[ . 1 . 2]" 1
1174 1 92 GLN HA 1 92 GLN QG . . 3.590 2.269 2.044 2.456 . 0 0 "[ . 1 . 2]" 1
1175 1 92 GLN HA 1 94 CYS H . . 4.810 4.643 4.388 4.884 0.074 19 0 "[ . 1 . 2]" 1
1176 1 92 GLN HA 1 94 CYS QB . . 5.180 5.425 5.062 5.875 0.695 10 4 "[ * . - + . *]" 1
1177 1 92 GLN HA 1 95 VAL H . . 3.980 3.643 3.383 3.858 . 0 0 "[ . 1 . 2]" 1
1178 1 92 GLN HA 1 95 VAL HB . . 3.340 2.749 2.363 3.440 0.100 4 0 "[ . 1 . 2]" 1
1179 1 92 GLN HA 1 95 VAL MG2 . . 4.500 3.416 2.920 3.753 . 0 0 "[ . 1 . 2]" 1
1180 1 93 MET H 1 93 MET HB2 . . 3.520 2.323 2.249 2.455 . 0 0 "[ . 1 . 2]" 1
1181 1 93 MET H 1 93 MET HB3 . . 3.880 3.561 3.514 3.605 . 0 0 "[ . 1 . 2]" 1
1182 1 93 MET H 1 94 CYS H . . 3.490 2.686 2.378 2.879 . 0 0 "[ . 1 . 2]" 1
1183 1 93 MET HA 1 93 MET ME . . 4.560 4.343 4.119 4.601 0.041 8 0 "[ . 1 . 2]" 1
1184 1 93 MET HA 1 93 MET HG2 . . 4.080 2.537 2.285 2.837 . 0 0 "[ . 1 . 2]" 1
1185 1 93 MET HA 1 93 MET HG3 . . 3.710 3.274 2.544 3.772 0.062 7 0 "[ . 1 . 2]" 1
1186 1 93 MET HA 1 96 THR H . . 4.170 3.382 3.164 3.567 . 0 0 "[ . 1 . 2]" 1
1187 1 93 MET HA 1 96 THR HB . . 2.770 2.508 2.080 2.832 0.062 4 0 "[ . 1 . 2]" 1
1188 1 93 MET HA 1 96 THR MG . . 4.210 3.709 3.336 4.169 . 0 0 "[ . 1 . 2]" 1
1189 1 93 MET HA 1 97 GLN H . . 4.880 3.917 3.754 4.044 . 0 0 "[ . 1 . 2]" 1
1190 1 93 MET HB2 1 94 CYS H . . 3.780 2.707 2.419 3.144 . 0 0 "[ . 1 . 2]" 1
1191 1 93 MET HB2 1 94 CYS HA . . 4.490 4.530 4.275 4.637 0.147 18 0 "[ . 1 . 2]" 1
1192 1 93 MET HB3 1 94 CYS H . . 4.160 3.555 3.376 3.890 . 0 0 "[ . 1 . 2]" 1
1193 1 93 MET HB3 1 96 THR HB . . 5.030 4.456 4.178 4.924 . 0 0 "[ . 1 . 2]" 1
1194 1 93 MET HB3 1 96 THR MG . . 4.560 4.955 4.635 5.211 0.651 19 7 "[ *-.* 1* . * +*]" 1
1195 1 93 MET ME 1 96 THR MG . . 5.370 5.476 5.185 5.615 0.245 16 0 "[ . 1 . 2]" 1
1196 1 94 CYS H 1 94 CYS QB . . 3.380 2.206 2.107 2.348 . 0 0 "[ . 1 . 2]" 1
1197 1 94 CYS H 1 95 VAL H . . 3.060 2.794 2.583 2.997 . 0 0 "[ . 1 . 2]" 1
1198 1 94 CYS H 1 95 VAL HB . . 4.780 4.568 4.317 4.874 0.094 6 0 "[ . 1 . 2]" 1
1199 1 94 CYS H 1 96 THR H . . 4.830 4.234 3.842 4.512 . 0 0 "[ . 1 . 2]" 1
1200 1 94 CYS HA 1 97 GLN H . . 4.230 3.298 2.979 3.652 . 0 0 "[ . 1 . 2]" 1
1201 1 94 CYS HA 1 97 GLN HB2 . . 4.240 4.185 3.787 4.418 0.178 14 0 "[ . 1 . 2]" 1
1202 1 94 CYS HA 1 97 GLN HB3 . . 3.950 2.652 2.322 3.094 . 0 0 "[ . 1 . 2]" 1
1203 1 94 CYS HA 1 98 TYR H . . 4.600 3.846 3.653 4.130 . 0 0 "[ . 1 . 2]" 1
1204 1 94 CYS QB 1 95 VAL H . . 3.920 2.872 2.596 3.293 . 0 0 "[ . 1 . 2]" 1
1205 1 95 VAL H 1 95 VAL HB . . 3.090 2.105 2.050 2.173 . 0 0 "[ . 1 . 2]" 1
1206 1 95 VAL H 1 96 THR H . . 3.530 2.739 2.595 2.891 . 0 0 "[ . 1 . 2]" 1
1207 1 95 VAL H 1 96 THR HB . . 4.670 4.667 4.447 4.767 0.097 1 0 "[ . 1 . 2]" 1
1208 1 95 VAL HA 1 95 VAL MG1 . . 3.140 2.520 2.387 2.636 . 0 0 "[ . 1 . 2]" 1
1209 1 95 VAL HA 1 95 VAL MG2 . . 3.600 2.302 2.201 2.404 . 0 0 "[ . 1 . 2]" 1
1210 1 95 VAL HA 1 98 TYR H . . 4.140 3.587 3.316 3.792 . 0 0 "[ . 1 . 2]" 1
1211 1 95 VAL HA 1 98 TYR HB2 . . 4.240 3.831 3.366 4.227 . 0 0 "[ . 1 . 2]" 1
1212 1 95 VAL HB 1 96 THR H . . 3.240 2.691 2.530 2.868 . 0 0 "[ . 1 . 2]" 1
1213 1 95 VAL HB 1 96 THR HA . . 5.050 4.828 4.664 4.981 . 0 0 "[ . 1 . 2]" 1
1214 1 95 VAL MG1 1 98 TYR QD . . 4.580 3.411 2.885 3.855 . 0 0 "[ . 1 . 2]" 1
1215 1 95 VAL MG1 1 99 GLN HG2 . . 5.390 4.206 3.192 5.180 . 0 0 "[ . 1 . 2]" 1
1216 1 96 THR H 1 96 THR HB . . 3.090 2.267 2.140 2.431 . 0 0 "[ . 1 . 2]" 1
1217 1 96 THR H 1 97 GLN H . . 3.580 2.847 2.646 3.126 . 0 0 "[ . 1 . 2]" 1
1218 1 96 THR HA 1 96 THR MG . . 3.080 2.622 2.488 2.763 . 0 0 "[ . 1 . 2]" 1
1219 1 96 THR HA 1 99 GLN H . . 4.200 3.041 2.865 3.235 . 0 0 "[ . 1 . 2]" 1
1220 1 96 THR HA 1 99 GLN HB2 . . 3.640 2.446 2.224 2.526 . 0 0 "[ . 1 . 2]" 1
1221 1 96 THR HA 1 99 GLN HB3 . . 3.960 4.096 3.910 4.122 0.162 17 0 "[ . 1 . 2]" 1
1222 1 96 THR HA 1 99 GLN HE21 . . 5.100 3.743 2.249 5.251 0.151 15 0 "[ . 1 . 2]" 1
1223 1 96 THR HA 1 99 GLN HG2 . . 4.610 4.636 4.034 4.780 0.170 14 0 "[ . 1 . 2]" 1
1224 1 96 THR HA 1 99 GLN HG3 . . 4.340 3.275 2.410 3.686 . 0 0 "[ . 1 . 2]" 1
1225 1 96 THR HA 1 100 LYS H . . 4.710 4.679 4.663 4.691 . 0 0 "[ . 1 . 2]" 1
1226 1 96 THR HB 1 97 GLN H . . 3.380 2.623 2.382 2.922 . 0 0 "[ . 1 . 2]" 1
1227 1 96 THR MG 1 97 GLN HA . . 4.390 3.081 2.883 3.358 . 0 0 "[ . 1 . 2]" 1
1228 1 96 THR MG 1 99 GLN HB2 . . 4.390 3.758 3.424 4.062 . 0 0 "[ . 1 . 2]" 1
1229 1 96 THR MG 1 100 LYS QD . . 3.900 2.928 2.603 3.352 . 0 0 "[ . 1 . 2]" 1
1230 1 97 GLN H 1 97 GLN HB2 . . 3.440 3.000 2.579 3.531 0.091 15 0 "[ . 1 . 2]" 1
1231 1 97 GLN H 1 97 GLN HB3 . . 3.660 2.161 2.009 2.298 . 0 0 "[ . 1 . 2]" 1
1232 1 97 GLN H 1 98 TYR H . . 3.740 2.759 2.634 2.908 . 0 0 "[ . 1 . 2]" 1
1233 1 97 GLN HA 1 97 GLN QG . . 3.790 3.231 2.776 3.635 . 0 0 "[ . 1 . 2]" 1
1234 1 97 GLN HA 1 98 TYR HA . . 4.760 4.785 4.638 4.988 0.228 5 0 "[ . 1 . 2]" 1
1235 1 97 GLN HA 1 100 LYS H . . 4.100 3.613 3.401 3.940 . 0 0 "[ . 1 . 2]" 1
1236 1 97 GLN HA 1 100 LYS QB . . 4.030 3.387 3.096 3.748 . 0 0 "[ . 1 . 2]" 1
1237 1 97 GLN HA 1 101 GLU H . . 4.710 4.164 3.950 4.621 . 0 0 "[ . 1 . 2]" 1
1238 1 97 GLN HB2 1 98 TYR H . . 4.260 4.215 4.092 4.409 0.149 16 0 "[ . 1 . 2]" 1
1239 1 97 GLN HB3 1 98 TYR H . . 3.980 3.288 2.879 3.939 . 0 0 "[ . 1 . 2]" 1
1240 1 97 GLN QG 1 98 TYR H . . 5.160 3.179 2.273 4.057 . 0 0 "[ . 1 . 2]" 1
1241 1 98 TYR H 1 98 TYR HB2 . . 3.530 2.727 2.496 3.086 . 0 0 "[ . 1 . 2]" 1
1242 1 98 TYR H 1 98 TYR HB3 . . 3.530 2.210 2.090 2.380 . 0 0 "[ . 1 . 2]" 1
1243 1 98 TYR H 1 99 GLN H . . 3.750 2.834 2.516 2.926 . 0 0 "[ . 1 . 2]" 1
1244 1 98 TYR HA 1 98 TYR QD . . 3.950 3.229 3.015 3.509 . 0 0 "[ . 1 . 2]" 1
1245 1 98 TYR HA 1 100 LYS QD . . 4.950 5.158 5.139 5.175 0.225 2 0 "[ . 1 . 2]" 1
1246 1 98 TYR HA 1 101 GLU H . . 4.700 3.210 2.739 3.485 . 0 0 "[ . 1 . 2]" 1
1247 1 98 TYR HA 1 101 GLU QB . . 3.540 2.449 1.968 2.878 . 0 0 "[ . 1 . 2]" 1
1248 1 98 TYR HA 1 102 SER H . . 4.620 2.899 2.337 3.834 . 0 0 "[ . 1 . 2]" 1
1249 1 98 TYR HB2 1 101 GLU QB . . 4.540 4.295 3.762 4.596 0.056 20 0 "[ . 1 . 2]" 1
1250 1 98 TYR QD 1 99 GLN HA . . 4.320 3.390 3.055 3.686 . 0 0 "[ . 1 . 2]" 1
1251 1 98 TYR QD 1 99 GLN HG2 . . 4.640 3.394 2.464 4.273 . 0 0 "[ . 1 . 2]" 1
1252 1 98 TYR QD 1 99 GLN HG3 . . 4.300 2.804 2.166 3.411 . 0 0 "[ . 1 . 2]" 1
1253 1 98 TYR QE 1 99 GLN HA . . 4.430 4.069 3.632 4.411 . 0 0 "[ . 1 . 2]" 1
1254 1 98 TYR QE 1 102 SER QB . . 4.110 2.743 2.299 3.738 . 0 0 "[ . 1 . 2]" 1
1255 1 99 GLN H 1 99 GLN HB2 . . 3.030 2.392 2.220 2.616 . 0 0 "[ . 1 . 2]" 1
1256 1 99 GLN H 1 99 GLN HG2 . . 3.620 3.610 2.961 3.926 0.306 17 0 "[ . 1 . 2]" 1
1257 1 99 GLN H 1 99 GLN HG3 . . 4.170 2.637 2.410 2.895 . 0 0 "[ . 1 . 2]" 1
1258 1 99 GLN H 1 100 LYS H . . 4.290 2.777 2.684 2.909 . 0 0 "[ . 1 . 2]" 1
1259 1 99 GLN HA 1 99 GLN HG2 . . 3.720 2.429 2.194 2.702 . 0 0 "[ . 1 . 2]" 1
1260 1 99 GLN HA 1 99 GLN HG3 . . 3.500 3.016 2.630 3.565 0.065 5 0 "[ . 1 . 2]" 1
1261 1 99 GLN HA 1 100 LYS QD . . 4.370 4.504 4.073 4.568 0.198 13 0 "[ . 1 . 2]" 1
1262 1 99 GLN HA 1 102 SER H . . 4.200 4.159 3.506 4.315 0.115 2 0 "[ . 1 . 2]" 1
1263 1 99 GLN HA 1 102 SER QB . . 4.190 3.665 2.688 4.217 0.027 3 0 "[ . 1 . 2]" 1
1264 1 99 GLN HA 1 103 GLN H . . 4.720 3.588 3.179 3.955 . 0 0 "[ . 1 . 2]" 1
1265 1 99 GLN HB2 1 99 GLN HG3 . . 2.820 2.478 2.297 2.672 . 0 0 "[ . 1 . 2]" 1
1266 1 99 GLN HB2 1 100 LYS H . . 3.950 3.372 3.059 3.641 . 0 0 "[ . 1 . 2]" 1
1267 1 99 GLN HB3 1 100 LYS H . . 4.290 4.000 3.650 4.292 0.002 19 0 "[ . 1 . 2]" 1
1268 1 99 GLN HG3 1 100 LYS H . . 5.090 4.916 4.725 5.127 0.037 18 0 "[ . 1 . 2]" 1
1269 1 100 LYS H 1 101 GLU H . . 3.730 2.591 2.404 2.823 . 0 0 "[ . 1 . 2]" 1
1270 1 100 LYS HA 1 104 ALA MB . . 3.830 3.287 2.992 3.509 . 0 0 "[ . 1 . 2]" 1
1271 1 100 LYS QB 1 101 GLU H . . 4.040 2.173 1.995 2.413 . 0 0 "[ . 1 . 2]" 1
1272 1 100 LYS QB 1 104 ALA MB . . 3.840 3.293 3.030 3.462 . 0 0 "[ . 1 . 2]" 1
1273 1 101 GLU H 1 101 GLU QB . . 3.550 2.400 1.965 2.690 . 0 0 "[ . 1 . 2]" 1
1274 1 101 GLU HA 1 102 SER HA . . 4.830 4.697 4.507 4.805 . 0 0 "[ . 1 . 2]" 1
1275 1 101 GLU QB 1 102 SER H . . 3.940 2.727 2.436 3.007 . 0 0 "[ . 1 . 2]" 1
1276 1 102 SER H 1 102 SER QB . . 3.510 2.259 2.098 2.523 . 0 0 "[ . 1 . 2]" 1
1277 1 102 SER H 1 103 GLN H . . 3.320 2.638 2.394 2.821 . 0 0 "[ . 1 . 2]" 1
1278 1 102 SER HA 1 103 GLN H . . 3.510 3.593 3.561 3.613 0.103 6 0 "[ . 1 . 2]" 1
1279 1 102 SER HA 1 105 TYR H . . 3.930 3.572 3.250 3.790 . 0 0 "[ . 1 . 2]" 1
1280 1 102 SER HA 1 105 TYR QB . . 3.670 2.806 2.495 2.999 . 0 0 "[ . 1 . 2]" 1
1281 1 102 SER HA 1 105 TYR QD . . 4.220 4.231 3.981 4.366 0.146 8 0 "[ . 1 . 2]" 1
1282 1 102 SER HA 1 106 TYR QD . . 5.040 3.331 2.382 3.932 . 0 0 "[ . 1 . 2]" 1
1283 1 102 SER QB 1 103 GLN H . . 3.840 2.553 2.198 3.251 . 0 0 "[ . 1 . 2]" 1
1284 1 102 SER QB 1 103 GLN HA . . 4.890 4.020 3.496 4.579 . 0 0 "[ . 1 . 2]" 1
1285 1 103 GLN H 1 103 GLN QB . . 2.860 2.419 2.226 2.696 . 0 0 "[ . 1 . 2]" 1
1286 1 103 GLN H 1 103 GLN HG2 . . 4.010 3.521 2.147 4.374 0.364 3 0 "[ . 1 . 2]" 1
1287 1 103 GLN H 1 103 GLN HG3 . . 4.390 3.759 2.526 4.208 . 0 0 "[ . 1 . 2]" 1
1288 1 103 GLN HA 1 103 GLN QB . . 2.720 2.470 2.352 2.574 . 0 0 "[ . 1 . 2]" 1
1289 1 103 GLN HA 1 103 GLN HE21 . . 4.650 3.629 2.624 4.927 0.277 1 0 "[ . 1 . 2]" 1
1290 1 103 GLN HA 1 103 GLN HG2 . . 3.230 3.348 2.405 3.734 0.504 12 1 "[ . 1 + . 2]" 1
1291 1 103 GLN HA 1 103 GLN HG3 . . 3.470 2.916 2.232 3.776 0.306 2 0 "[ . 1 . 2]" 1
1292 1 103 GLN HA 1 106 TYR H . . 4.160 3.297 2.817 3.512 . 0 0 "[ . 1 . 2]" 1
1293 1 103 GLN HA 1 106 TYR HA . . 5.130 4.968 4.863 4.998 . 0 0 "[ . 1 . 2]" 1
1294 1 103 GLN HA 1 106 TYR HB2 . . 4.230 2.155 2.010 2.400 . 0 0 "[ . 1 . 2]" 1
1295 1 103 GLN HA 1 106 TYR HB3 . . 4.370 3.320 3.005 4.136 . 0 0 "[ . 1 . 2]" 1
1296 1 103 GLN HA 1 106 TYR QD . . 4.060 3.857 2.724 4.067 0.007 7 0 "[ . 1 . 2]" 1
1297 1 103 GLN HA 1 107 ASP H . . 4.610 3.338 2.877 3.802 . 0 0 "[ . 1 . 2]" 1
1298 1 103 GLN QB 1 103 GLN HG2 . . 2.730 2.238 2.111 2.538 . 0 0 "[ . 1 . 2]" 1
1299 1 103 GLN QB 1 104 ALA HA . . 4.540 4.031 3.880 4.182 . 0 0 "[ . 1 . 2]" 1
1300 1 103 GLN QB 1 104 ALA MB . . 4.960 3.929 3.776 4.056 . 0 0 "[ . 1 . 2]" 1
1301 1 104 ALA H 1 104 ALA MB . . 2.990 2.137 2.086 2.192 . 0 0 "[ . 1 . 2]" 1
1302 1 104 ALA H 1 105 TYR H . . 3.270 2.683 2.499 2.941 . 0 0 "[ . 1 . 2]" 1
1303 1 104 ALA HA 1 107 ASP H . . 4.240 4.015 3.638 4.338 0.098 4 0 "[ . 1 . 2]" 1
1304 1 104 ALA HA 1 107 ASP QB . . 3.300 3.349 2.887 3.477 0.177 13 0 "[ . 1 . 2]" 1
1305 1 104 ALA HA 1 108 GLY H . . 4.860 4.951 4.783 4.983 0.123 9 0 "[ . 1 . 2]" 1
1306 1 104 ALA MB 1 105 TYR H . . 3.460 2.746 2.325 3.119 . 0 0 "[ . 1 . 2]" 1
1307 1 104 ALA MB 1 105 TYR HA . . 3.940 4.083 4.002 4.129 0.189 20 0 "[ . 1 . 2]" 1
1308 1 104 ALA MB 1 105 TYR QB . . 5.100 3.497 3.398 3.638 . 0 0 "[ . 1 . 2]" 1
1309 1 104 ALA MB 1 105 TYR QD . . 5.240 4.742 4.389 4.831 . 0 0 "[ . 1 . 2]" 1
1310 1 104 ALA MB 1 106 TYR H . . 5.410 4.350 4.170 4.573 . 0 0 "[ . 1 . 2]" 1
1311 1 104 ALA MB 1 107 ASP QB . . 4.700 4.678 4.325 4.781 0.081 1 0 "[ . 1 . 2]" 1
1312 1 105 TYR H 1 105 TYR QB . . 3.040 2.280 2.167 2.505 . 0 0 "[ . 1 . 2]" 1
1313 1 105 TYR H 1 106 TYR H . . 3.370 2.539 2.162 2.917 . 0 0 "[ . 1 . 2]" 1
1314 1 105 TYR HA 1 105 TYR QD . . 3.260 2.582 2.213 3.002 . 0 0 "[ . 1 . 2]" 1
1315 1 105 TYR QB 1 106 TYR H . . 3.390 3.605 3.162 3.895 0.505 8 1 "[ . + 1 . 2]" 1
1316 1 105 TYR QD 1 106 TYR HA . . 2.960 4.769 4.258 5.261 2.301 6 20 [*****+****-*********] 1
1317 1 105 TYR QD 1 106 TYR QD . . 4.490 3.719 2.768 4.318 . 0 0 "[ . 1 . 2]" 1
1318 1 105 TYR QE 1 106 TYR HA . . 3.830 6.286 5.879 6.730 2.900 4 20 [***+******-*********] 1
1319 1 105 TYR QE 1 106 TYR QD . . 4.290 5.694 4.878 6.273 1.983 2 20 [*+********-*********] 1
1320 1 106 TYR H 1 106 TYR HB2 . . 3.010 2.513 2.305 2.694 . 0 0 "[ . 1 . 2]" 1
1321 1 106 TYR H 1 106 TYR HB3 . . 3.520 3.465 3.289 3.634 0.114 20 0 "[ . 1 . 2]" 1
1322 1 106 TYR H 1 107 ASP H . . 3.750 2.017 1.833 2.149 . 0 0 "[ . 1 . 2]" 1
1323 1 106 TYR HA 1 106 TYR QD . . 2.870 2.922 2.163 3.145 0.275 12 0 "[ . 1 . 2]" 1
1324 1 106 TYR HB2 1 107 ASP H . . 3.940 2.882 2.589 3.482 . 0 0 "[ . 1 . 2]" 1
1325 1 106 TYR HB3 1 107 ASP H . . 3.960 2.986 2.684 3.779 . 0 0 "[ . 1 . 2]" 1
1326 1 106 TYR QD 1 107 ASP HA . . 4.350 5.021 4.909 5.069 0.719 20 20 [*********-*********+] 1
1327 1 107 ASP H 1 107 ASP QB . . 2.930 2.107 1.998 2.324 . 0 0 "[ . 1 . 2]" 1
1328 1 107 ASP H 1 108 GLY H . . 3.420 2.896 2.622 3.086 . 0 0 "[ . 1 . 2]" 1
1329 1 107 ASP HA 1 107 ASP QB . . 2.620 2.381 2.280 2.507 . 0 0 "[ . 1 . 2]" 1
1330 1 107 ASP HA 1 108 GLY H . . 3.270 3.490 3.421 3.541 0.271 16 0 "[ . 1 . 2]" 1
1331 1 107 ASP QB 1 108 GLY H . . 3.570 2.639 2.313 2.886 . 0 0 "[ . 1 . 2]" 1
1332 1 107 ASP QB 1 108 GLY QA . . 4.560 3.989 3.735 4.235 . 0 0 "[ . 1 . 2]" 1
1333 1 107 ASP QB 1 109 ARG H . . 4.590 4.566 3.748 4.722 0.132 6 0 "[ . 1 . 2]" 1
1334 1 107 ASP QB 1 109 ARG QG . . 4.880 4.649 4.280 5.097 0.217 8 0 "[ . 1 . 2]" 1
1335 1 108 GLY H 1 108 GLY QA . . 2.790 2.491 2.419 2.531 . 0 0 "[ . 1 . 2]" 1
1336 1 108 GLY H 1 109 ARG QG . . 4.980 3.155 2.525 4.411 . 0 0 "[ . 1 . 2]" 1
1337 1 108 GLY QA 1 109 ARG H . . 3.310 2.812 2.384 3.051 . 0 0 "[ . 1 . 2]" 1
1338 1 108 GLY QA 1 109 ARG HA . . 4.870 4.090 3.990 4.157 . 0 0 "[ . 1 . 2]" 1
1339 1 109 ARG H 1 109 ARG HB3 . . 3.510 3.580 2.248 3.926 0.416 6 0 "[ . 1 . 2]" 1
1340 1 109 ARG H 1 109 ARG QD . . 4.460 4.333 3.897 4.582 0.122 15 0 "[ . 1 . 2]" 1
1341 1 109 ARG H 1 109 ARG QG . . 3.480 3.084 2.011 3.617 0.137 9 0 "[ . 1 . 2]" 1
1342 1 109 ARG H 1 110 ARG H . . 3.630 2.981 2.067 3.422 . 0 0 "[ . 1 . 2]" 1
1343 1 109 ARG HA 1 109 ARG HB2 . . 3.000 2.926 2.162 3.060 0.060 20 0 "[ . 1 . 2]" 1
1344 1 109 ARG HA 1 109 ARG HB3 . . 2.850 2.542 2.154 3.036 0.186 9 0 "[ . 1 . 2]" 1
1345 1 109 ARG HA 1 109 ARG QD . . 3.860 2.826 2.099 4.048 0.188 14 0 "[ . 1 . 2]" 1
1346 1 109 ARG HA 1 109 ARG QG . . 3.150 2.841 2.443 3.343 0.193 8 0 "[ . 1 . 2]" 1
1347 1 109 ARG HA 1 110 ARG H . . 2.920 3.569 3.439 3.666 0.746 9 20 [********+**********-] 1
1348 1 109 ARG HB2 1 109 ARG QD . . 3.760 3.056 2.263 3.361 . 0 0 "[ . 1 . 2]" 1
1349 1 109 ARG HB2 1 109 ARG HE . . 5.160 4.493 3.354 5.304 0.144 7 0 "[ . 1 . 2]" 1
1350 1 109 ARG HB2 1 109 ARG QG . . 2.570 2.164 2.097 2.305 . 0 0 "[ . 1 . 2]" 1
1351 1 109 ARG HB3 1 109 ARG QD . . 3.780 2.431 2.047 3.526 . 0 0 "[ . 1 . 2]" 1
1352 1 109 ARG QD 1 110 ARG HA . . 5.200 5.554 2.578 6.596 1.396 14 11 "[ - ** * 1 **+* ** *]" 1
1353 1 109 ARG QD 1 110 ARG QG . . 5.390 4.880 2.833 5.588 0.198 7 0 "[ . 1 . 2]" 1
1354 1 110 ARG H 1 110 ARG HB2 . . 3.180 2.379 1.975 3.326 0.146 11 0 "[ . 1 . 2]" 1
1355 1 110 ARG H 1 110 ARG HB3 . . 3.570 3.475 3.173 3.687 0.117 11 0 "[ . 1 . 2]" 1
1356 1 110 ARG HA 1 110 ARG HB3 . . 2.960 2.679 2.324 3.017 0.057 9 0 "[ . 1 . 2]" 1
1357 1 110 ARG HA 1 110 ARG QD . . 3.510 3.425 2.228 3.697 0.187 10 0 "[ . 1 . 2]" 1
1358 1 110 ARG HA 1 110 ARG QG . . 3.400 2.232 2.005 2.665 . 0 0 "[ . 1 . 2]" 1
1359 1 110 ARG HA 1 111 SER H . . 2.830 2.383 2.081 2.639 . 0 0 "[ . 1 . 2]" 1
1360 1 110 ARG HB2 1 110 ARG QD . . 3.240 2.859 2.114 3.296 0.056 4 0 "[ . 1 . 2]" 1
1361 1 110 ARG HB2 1 110 ARG QG . . 2.620 2.276 2.112 2.556 . 0 0 "[ . 1 . 2]" 1
1362 1 110 ARG HB2 1 111 SER H . . 4.280 3.914 3.214 4.388 0.108 13 0 "[ . 1 . 2]" 1
1363 1 110 ARG HB3 1 110 ARG QD . . 3.180 2.199 2.049 2.595 . 0 0 "[ . 1 . 2]" 1
1364 1 110 ARG HB3 1 110 ARG QG . . 2.800 2.472 2.227 2.597 . 0 0 "[ . 1 . 2]" 1
1365 1 110 ARG HB3 1 111 SER H . . 3.850 2.670 2.038 3.820 . 0 0 "[ . 1 . 2]" 1
1366 1 111 SER H 1 111 SER HB2 . . 3.420 3.034 1.918 4.014 0.594 12 1 "[ . 1 + . 2]" 1
1367 1 111 SER H 1 112 SER H . . 4.000 3.177 2.463 4.075 0.075 13 0 "[ . 1 . 2]" 1
1368 1 111 SER HA 1 111 SER HB2 . . 2.810 2.792 2.460 3.055 0.245 13 0 "[ . 1 . 2]" 1
1369 1 111 SER HA 1 112 SER H . . 3.310 2.513 2.145 3.181 . 0 0 "[ . 1 . 2]" 1
1370 1 112 SER H 1 112 SER QB . . 3.350 2.991 2.284 3.495 0.145 1 0 "[ . 1 . 2]" 1
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