NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377207 |
1g25   |
4890 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1g25
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 784
_Distance_constraint_stats_list.Viol_count 2432
_Distance_constraint_stats_list.Viol_total 14296.515
_Distance_constraint_stats_list.Viol_max 1.670
_Distance_constraint_stats_list.Viol_rms 0.1493
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0456
_Distance_constraint_stats_list.Viol_average_violations_only 0.2939
_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 2 ASP 26.158 0.992 6 20 [*****+-*************]
1 3 ASP 0.129 0.047 17 0 "[ . 1 . 2]"
1 4 GLN 6.432 0.702 15 6 "[ . ** 1 * + - *]"
1 5 GLY 8.247 0.838 15 6 "[ . ** 1 * + - *]"
1 6 CYS 45.184 1.670 15 17 "[* *** -*******+ ****]"
1 7 PRO 11.066 0.711 19 1 "[ . 1 . +2]"
1 8 ARG 38.030 0.834 14 10 "[** *. *1 *+* ** -]"
1 9 CYS 9.219 0.730 15 2 "[ . 1 -+ 2]"
1 10 LYS 21.544 0.936 15 7 "[ * *1 * -+ * *2]"
1 11 THR 18.257 1.189 6 6 "[-* .+ *1 *.* 2]"
1 12 THR 25.512 1.670 15 14 "[ **.-**** ** + ****]"
1 13 LYS 62.106 1.131 9 20 [*****-**+***********]
1 14 TYR 23.209 1.131 9 14 "[* *** **+* * -** **]"
1 15 ARG 20.488 1.189 6 5 "[-* .+ 1 *.* 2]"
1 16 ASN 22.863 0.903 19 17 "[ ***** *****-**** +*]"
1 17 PRO 19.252 0.910 1 13 "[+******* - ** **2]"
1 18 SER 0.434 0.135 20 0 "[ . 1 . 2]"
1 19 LEU 28.604 0.910 1 13 "[+****-** * ** **2]"
1 20 LYS 22.328 1.182 20 15 "[ *******-*****. * +]"
1 21 LEU 33.115 0.802 1 10 "[+ *. ** 1* *-* **]"
1 22 MET 44.346 0.888 6 19 [*****+***1****-*****]
1 23 VAL 59.559 1.501 15 20 [**************+*-***]
1 24 ASN 17.880 1.241 3 8 "[ *+ . *** -* * 2]"
1 25 VAL 6.440 0.371 6 0 "[ . 1 . 2]"
1 26 CYS 42.124 1.447 12 19 [****.******+*****-**]
1 27 GLY 9.326 1.075 8 7 "[ .* + 1* **. *- 2]"
1 28 HIS 25.252 1.501 15 7 "[ .- 1* **+ ** 2]"
1 29 THR 21.700 0.838 20 7 "[ * . * *1 * * - +]"
1 30 LEU 75.414 0.972 11 20 [**********+********-]
1 31 CYS 35.059 0.818 19 5 "[ *. * -1 . * +2]"
1 32 GLU 45.107 1.182 20 19 "[*-************* ***+]"
1 33 SER 3.947 0.538 16 2 "[ . 1- .+ 2]"
1 34 CYS 13.620 0.567 10 1 "[ . + . 2]"
1 35 VAL 29.201 0.743 6 7 "[ ** .+ - * . **2]"
1 36 ASP 32.833 0.941 19 20 [**********-*******+*]
1 37 LEU 13.066 0.567 10 1 "[ . + . 2]"
1 38 LEU 30.767 0.695 13 7 "[ ** .* * 1 + * * 2]"
1 39 PHE 41.724 0.923 16 16 "[ **** * **-** *+****]"
1 40 VAL 26.794 0.941 19 20 [*********-********+*]
1 41 ARG 4.815 0.532 12 1 "[ . 1 + . 2]"
1 42 GLY 0.623 0.099 4 0 "[ . 1 . 2]"
1 43 ALA 25.533 1.036 18 20 [**************-**+**]
1 44 GLY 16.791 1.013 2 18 "[*+*******1******* **]"
1 45 ASN 3.922 0.797 5 2 "[ + 1 - . 2]"
1 46 CYS 29.417 1.034 17 14 "[* **** ****** +* *]"
1 47 PRO 11.923 0.761 6 5 "[ * .+ * 1 * . - 2]"
1 48 GLU 14.333 0.900 17 2 "[ . 1 . +* 2]"
1 49 CYS 6.313 0.838 17 1 "[ . 1 . + 2]"
1 50 GLY 6.235 1.034 17 2 "[ . 1 . +* 2]"
1 51 THR 20.408 0.987 5 7 "[ - *+ 1 ** ** 2]"
1 52 PRO 3.224 0.255 11 0 "[ . 1 . 2]"
1 53 LEU 50.043 1.013 2 20 [*+**************-***]
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 12.909 0.921 16 10 "[* ** - 1* ***+ *]"
1 56 SER 32.919 1.036 18 20 [******-**********+**]
1 57 ASN 15.595 0.570 13 1 "[ . 1 + . 2]"
1 58 PHE 36.501 1.241 3 10 "[ *+ .* * **** * * 2]"
1 59 ARG 14.256 1.447 12 9 "[** -. *1*+ * * *]"
1 60 VAL 39.369 0.896 2 20 [*+-*****************]
1 61 GLN 12.276 0.564 15 2 "[ . 1 + - 2]"
1 62 LEU 5.877 0.535 1 3 "[+ *. 1 . - 2]"
1 63 PHE 11.874 0.998 13 5 "[* *.* 1 + . - 2]"
1 64 GLU 2.054 0.190 7 0 "[ . 1 . 2]"
1 65 ASP 3.104 0.998 13 3 "[ .* 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 25 VAL H 1 26 CYS H 3.310 . 4.680 3.639 2.926 4.542 . 0 0 "[ . 1 . 2]" 1
2 1 31 CYS H 1 34 CYS H 3.400 . 4.840 4.017 3.345 4.356 . 0 0 "[ . 1 . 2]" 1
3 1 31 CYS H 1 35 VAL H 3.890 . 5.780 4.745 3.597 5.210 . 0 0 "[ . 1 . 2]" 1
4 1 6 CYS H 1 31 CYS H 4.780 . 6.000 4.905 3.306 6.094 0.094 1 0 "[ . 1 . 2]" 1
5 1 31 CYS H 1 32 GLU H 3.710 . 5.430 4.643 4.430 4.728 . 0 0 "[ . 1 . 2]" 1
6 1 28 HIS H 1 29 THR H 4.350 . 6.000 3.758 3.109 4.731 . 0 0 "[ . 1 . 2]" 1
7 1 23 VAL H 1 59 ARG H 2.700 . 3.570 2.708 1.885 3.461 . 0 0 "[ . 1 . 2]" 1
8 1 23 VAL H 1 24 ASN H 4.670 . 6.000 4.518 4.125 4.640 . 0 0 "[ . 1 . 2]" 1
9 1 58 PHE QD 1 59 ARG H 3.170 . 5.430 4.705 4.268 4.983 . 0 0 "[ . 1 . 2]" 1
10 1 46 CYS H 1 50 GLY H 3.690 . 5.390 4.057 3.432 6.424 1.034 17 1 "[ . 1 . + 2]" 1
11 1 46 CYS H 1 51 THR H 3.240 . 4.550 2.914 1.894 4.678 0.128 4 0 "[ . 1 . 2]" 1
12 1 58 PHE H 1 59 ARG H 4.870 . 6.000 4.119 3.711 4.356 . 0 0 "[ . 1 . 2]" 1
13 1 44 GLY H 1 53 LEU H 3.220 . 4.520 5.290 4.726 5.533 1.013 2 18 "[*+******-1******* **]" 1
14 1 34 CYS H 1 35 VAL H 2.700 2.020 3.380 2.554 2.316 2.805 . 0 0 "[ . 1 . 2]" 1
15 1 32 GLU H 1 34 CYS H 4.220 . 6.000 3.904 3.648 4.076 . 0 0 "[ . 1 . 2]" 1
16 1 33 SER H 1 34 CYS H 2.700 2.060 3.340 2.761 2.587 2.858 . 0 0 "[ . 1 . 2]" 1
17 1 34 CYS H 1 37 LEU H 4.550 . 6.000 5.004 4.641 5.523 . 0 0 "[ . 1 . 2]" 1
18 1 13 LYS H 1 14 TYR H 2.710 . 3.630 2.992 2.519 3.317 . 0 0 "[ . 1 . 2]" 1
19 1 55 LYS H 1 57 ASN QD 3.760 . 7.530 5.097 3.620 6.407 . 0 0 "[ . 1 . 2]" 1
20 1 48 GLU H 1 50 GLY H 3.040 . 4.190 3.311 2.677 5.090 0.900 17 2 "[ . 1 . +- 2]" 1
21 1 48 GLU H 1 49 CYS H 2.700 2.090 4.310 2.146 1.964 2.492 0.126 8 0 "[ . 1 . 2]" 1
22 1 20 LYS H 1 32 GLU H 3.170 . 4.430 3.468 2.414 4.028 . 0 0 "[ . 1 . 2]" 1
23 1 19 LEU H 1 20 LYS H 3.520 . 5.070 4.471 4.136 4.728 . 0 0 "[ . 1 . 2]" 1
24 1 22 MET H 1 31 CYS H 4.180 . 6.000 4.374 4.102 4.903 . 0 0 "[ . 1 . 2]" 1
25 1 22 MET H 1 23 VAL H 3.470 . 4.970 4.506 4.369 4.580 . 0 0 "[ . 1 . 2]" 1
26 1 22 MET H 1 30 LEU H 2.950 . 4.040 2.835 2.312 3.346 . 0 0 "[ . 1 . 2]" 1
27 1 35 VAL H 1 36 ASP H 2.700 . 3.430 2.922 2.787 3.175 . 0 0 "[ . 1 . 2]" 1
28 1 33 SER H 1 35 VAL H 3.560 . 5.150 4.900 4.568 5.186 0.036 6 0 "[ . 1 . 2]" 1
29 1 35 VAL H 1 39 PHE QD 4.220 . 7.000 5.536 4.490 6.019 . 0 0 "[ . 1 . 2]" 1
30 1 21 LEU H 1 22 MET H 3.690 . 5.400 4.502 4.331 4.632 . 0 0 "[ . 1 . 2]" 1
31 1 62 LEU H 1 63 PHE H 3.590 . 5.200 3.003 1.988 4.180 . 0 0 "[ . 1 . 2]" 1
32 1 50 GLY H 1 51 THR H 3.050 . 4.210 3.556 2.922 4.234 0.024 18 0 "[ . 1 . 2]" 1
33 1 49 CYS H 1 50 GLY H 2.700 2.090 3.310 2.610 2.010 4.148 0.838 17 1 "[ . 1 . + 2]" 1
34 1 5 GLY H 1 6 CYS H 4.720 . 6.000 3.940 2.880 4.651 . 0 0 "[ . 1 . 2]" 1
35 1 6 CYS H 1 10 LYS H 4.020 . 6.000 6.453 5.746 6.936 0.936 15 7 "[ * *1 * -+ * *2]" 1
36 1 43 ALA H 1 44 GLY H 5.000 . 6.000 3.995 3.153 4.724 . 0 0 "[ . 1 . 2]" 1
37 1 39 PHE QD 1 44 GLY H 3.210 . 5.500 3.020 1.870 3.805 0.050 6 0 "[ . 1 . 2]" 1
38 1 39 PHE QE 1 44 GLY H 2.750 . 5.700 3.538 3.013 4.381 . 0 0 "[ . 1 . 2]" 1
39 1 61 GLN H 1 62 LEU H 3.830 . 5.670 4.352 4.239 4.398 . 0 0 "[ . 1 . 2]" 1
40 1 37 LEU H 1 38 LEU H 2.700 2.040 3.360 2.545 2.276 2.978 . 0 0 "[ . 1 . 2]" 1
41 1 6 CYS H 1 12 THR H 3.500 . 5.530 5.430 3.536 7.200 1.670 15 1 "[ . 1 + 2]" 1
42 1 36 ASP H 1 37 LEU H 2.700 . 3.430 2.888 2.608 3.336 . 0 0 "[ . 1 . 2]" 1
43 1 27 GLY H 1 28 HIS H 2.700 . 3.590 3.288 2.046 4.434 0.844 14 6 "[ .* 1* *+. *- 2]" 1
44 1 26 CYS H 1 28 HIS H 3.930 . 5.870 5.449 3.996 6.675 0.805 14 3 "[ .- 1* +. 2]" 1
45 1 9 CYS H 1 10 LYS H 2.700 2.090 4.310 3.235 2.759 3.717 . 0 0 "[ . 1 . 2]" 1
46 1 64 GLU H 1 65 ASP H 3.260 . 4.590 3.889 1.950 4.703 0.113 4 0 "[ . 1 . 2]" 1
47 1 14 TYR H 1 16 ASN H 4.980 . 6.000 4.231 3.975 4.722 . 0 0 "[ . 1 . 2]" 1
48 1 46 CYS H 1 49 CYS H 4.620 . 6.000 4.988 4.150 5.524 . 0 0 "[ . 1 . 2]" 1
49 1 32 GLU H 1 33 SER H 2.760 . 3.710 2.710 2.471 3.073 . 0 0 "[ . 1 . 2]" 1
50 1 39 PHE QE 1 57 ASN QD 2.700 . 6.610 5.808 3.009 6.637 0.027 15 0 "[ . 1 . 2]" 1
51 1 35 VAL H 1 37 LEU H 3.770 . 5.550 4.883 4.591 5.438 . 0 0 "[ . 1 . 2]" 1
52 1 42 GLY H 1 43 ALA H 4.570 . 6.000 2.027 1.851 2.708 0.099 4 0 "[ . 1 . 2]" 1
53 1 14 TYR H 1 15 ARG H 2.860 . 3.880 2.532 2.402 2.686 . 0 0 "[ . 1 . 2]" 1
54 1 26 CYS H 1 27 GLY H 2.700 2.020 3.380 3.017 1.982 4.455 1.075 8 3 "[ . + 1 * . - 2]" 1
55 1 18 SER H 1 19 LEU H 3.040 . 4.200 3.048 2.123 3.866 . 0 0 "[ . 1 . 2]" 1
56 1 15 ARG H 1 16 ASN H 2.700 . 3.420 2.577 2.374 2.832 . 0 0 "[ . 1 . 2]" 1
57 1 40 VAL H 1 41 ARG H 3.750 . 5.510 2.766 2.532 2.986 . 0 0 "[ . 1 . 2]" 1
58 1 23 VAL H 1 58 PHE QD 2.830 . 5.830 5.437 4.519 5.930 0.100 13 0 "[ . 1 . 2]" 1
59 1 24 ASN QD 1 58 PHE QD 2.700 2.090 8.110 2.682 1.803 4.025 0.287 9 0 "[ . 1 . 2]" 1
60 1 28 HIS HD2 1 29 THR H 3.490 . 5.010 4.659 4.386 4.848 . 0 0 "[ . 1 . 2]" 1
61 1 39 PHE QE 1 58 PHE QE 2.920 . 5.990 2.759 1.930 3.082 . 0 0 "[ . 1 . 2]" 1
62 1 24 ASN QD 1 58 PHE QE 2.700 2.090 8.110 3.146 1.834 5.444 0.256 7 0 "[ . 1 . 2]" 1
63 1 57 ASN QD 1 58 PHE QE 4.400 . 9.000 4.411 2.794 6.372 . 0 0 "[ . 1 . 2]" 1
64 1 24 ASN QD 1 39 PHE QE 3.790 . 10.090 4.846 3.416 6.824 . 0 0 "[ . 1 . 2]" 1
65 1 7 PRO QD 1 30 LEU HA 2.700 . 4.520 3.023 2.629 3.629 . 0 0 "[ . 1 . 2]" 1
66 1 22 MET H 1 31 CYS HA 2.700 . 3.510 3.392 2.906 4.328 0.818 19 1 "[ . 1 . +2]" 1
67 1 21 LEU H 1 31 CYS HA 4.150 . 6.000 4.326 3.872 4.886 . 0 0 "[ . 1 . 2]" 1
68 1 31 CYS HA 1 32 GLU H 2.700 2.090 3.310 2.498 2.261 2.661 . 0 0 "[ . 1 . 2]" 1
69 1 31 CYS HA 1 33 SER H 3.670 . 5.350 4.551 4.242 4.854 . 0 0 "[ . 1 . 2]" 1
70 1 21 LEU HA 1 31 CYS HA 2.200 . 2.810 1.825 1.566 2.672 0.024 20 0 "[ . 1 . 2]" 1
71 1 6 CYS QB 1 31 CYS HA 3.210 . 4.500 4.156 4.057 4.267 . 0 0 "[ . 1 . 2]" 1
72 1 22 MET QG 1 31 CYS HA 4.260 . 7.000 3.976 3.414 4.826 . 0 0 "[ . 1 . 2]" 1
73 1 21 LEU QD 1 31 CYS HA 2.700 . 7.110 1.810 1.750 1.868 0.250 13 0 "[ . 1 . 2]" 1
74 1 22 MET HA 1 23 VAL H 2.200 . 2.810 2.309 2.122 2.532 . 0 0 "[ . 1 . 2]" 1
75 1 22 MET HA 1 59 ARG H 3.970 . 5.940 4.152 3.617 4.523 . 0 0 "[ . 1 . 2]" 1
76 1 22 MET HA 1 58 PHE QD 3.510 . 6.050 5.942 5.304 6.743 0.693 8 3 "[ - .* + 1 . 2]" 1
77 1 45 ASN HA 1 46 CYS H 2.700 2.090 3.310 2.359 2.173 3.243 . 0 0 "[ . 1 . 2]" 1
78 1 45 ASN HA 1 53 LEU H 2.880 . 3.920 3.825 2.932 4.717 0.797 5 2 "[ + 1 - . 2]" 1
79 1 45 ASN HA 1 53 LEU QB 3.550 . 5.120 3.912 2.403 5.016 . 0 0 "[ . 1 . 2]" 1
80 1 43 ALA HA 1 44 GLY H 2.700 2.070 3.330 2.344 2.190 3.074 . 0 0 "[ . 1 . 2]" 1
81 1 39 PHE QD 1 43 ALA HA 2.710 . 5.630 1.907 1.696 2.293 0.094 18 0 "[ . 1 . 2]" 1
82 1 39 PHE QE 1 43 ALA HA 3.470 . 5.980 3.819 2.675 4.573 . 0 0 "[ . 1 . 2]" 1
83 1 16 ASN HA 1 18 SER H 3.380 . 4.810 4.031 3.318 4.945 0.135 20 0 "[ . 1 . 2]" 1
84 1 13 LYS HA 1 19 LEU H 3.290 . 4.640 4.287 2.835 5.155 0.515 6 1 "[ .+ 1 . 2]" 1
85 1 49 CYS HA 1 50 GLY H 3.080 . 4.260 3.003 2.149 3.260 . 0 0 "[ . 1 . 2]" 1
86 1 49 CYS HA 1 51 THR H 4.690 . 6.000 4.828 4.283 6.047 0.047 2 0 "[ . 1 . 2]" 1
87 1 29 THR HA 1 30 LEU H 2.200 . 2.810 2.282 2.174 2.507 . 0 0 "[ . 1 . 2]" 1
88 1 22 MET H 1 29 THR HA 4.000 . 6.000 4.760 4.227 5.257 . 0 0 "[ . 1 . 2]" 1
89 1 24 ASN H 1 29 THR HA 4.280 . 6.000 4.516 3.194 5.154 . 0 0 "[ . 1 . 2]" 1
90 1 23 VAL HB 1 29 THR HA 3.170 . 4.430 4.718 4.298 5.268 0.838 20 5 "[ * . *1 * . - +]" 1
91 1 30 LEU HA 1 31 CYS H 2.200 . 2.810 2.278 2.152 2.363 . 0 0 "[ . 1 . 2]" 1
92 1 30 LEU HA 1 35 VAL H 3.740 . 5.490 4.712 4.094 5.320 . 0 0 "[ . 1 . 2]" 1
93 1 30 LEU HA 1 31 CYS HA 3.870 . 5.750 4.559 4.408 4.627 . 0 0 "[ . 1 . 2]" 1
94 1 30 LEU HA 1 34 CYS QB 3.660 . 5.340 2.771 2.199 3.422 . 0 0 "[ . 1 . 2]" 1
95 1 30 LEU HA 1 31 CYS QB 3.760 . 5.520 4.097 3.858 4.318 . 0 0 "[ . 1 . 2]" 1
96 1 6 CYS QB 1 30 LEU HA 4.100 . 6.000 5.731 5.494 6.018 0.018 15 0 "[ . 1 . 2]" 1
97 1 29 THR MG 1 30 LEU HA 3.130 . 5.350 3.204 2.932 3.430 . 0 0 "[ . 1 . 2]" 1
98 1 24 ASN HA 1 25 VAL H 2.840 . 3.850 2.427 2.139 2.534 . 0 0 "[ . 1 . 2]" 1
99 1 24 ASN HA 1 59 ARG H 3.520 . 5.070 3.580 3.126 4.153 . 0 0 "[ . 1 . 2]" 1
100 1 24 ASN HA 1 25 VAL HA 3.670 . 5.360 4.412 4.350 4.560 . 0 0 "[ . 1 . 2]" 1
101 1 43 ALA MB 1 55 LYS HA 3.130 . 5.360 4.091 2.873 5.186 . 0 0 "[ . 1 . 2]" 1
102 1 44 GLY H 1 56 SER HA 4.180 . 6.000 4.135 2.504 5.945 . 0 0 "[ . 1 . 2]" 1
103 1 39 PHE QE 1 56 SER HA 4.440 . 7.000 3.423 2.179 4.432 . 0 0 "[ . 1 . 2]" 1
104 1 57 ASN HA 1 58 PHE H 3.190 . 4.460 2.378 2.213 2.803 . 0 0 "[ . 1 . 2]" 1
105 1 23 VAL HA 1 30 LEU H 3.750 . 5.510 3.585 3.176 4.181 . 0 0 "[ . 1 . 2]" 1
106 1 23 VAL HA 1 24 ASN H 2.200 . 2.810 2.456 2.209 2.601 . 0 0 "[ . 1 . 2]" 1
107 1 23 VAL HA 1 58 PHE QD 3.130 . 5.350 4.794 2.869 6.288 0.938 6 3 "[ * .+ - 1 . 2]" 1
108 1 23 VAL HA 1 29 THR HA 2.200 . 3.190 2.601 1.790 3.452 0.262 20 0 "[ . 1 . 2]" 1
109 1 2 ASP HA 1 6 CYS H 3.310 . 4.680 4.809 3.481 5.508 0.828 1 5 "[+ * . - 1* * . 2]" 1
110 1 2 ASP HA 1 5 GLY H 4.010 . 6.000 4.359 3.272 5.509 . 0 0 "[ . 1 . 2]" 1
111 1 2 ASP HA 1 14 TYR H 3.760 . 5.530 4.030 3.189 5.788 0.258 2 0 "[ . 1 . 2]" 1
112 1 2 ASP HA 1 5 GLY QA 2.700 . 4.430 3.793 2.804 4.661 0.231 7 0 "[ . 1 . 2]" 1
113 1 59 ARG HA 1 60 VAL H 4.440 . 6.000 2.197 2.141 2.259 . 0 0 "[ . 1 . 2]" 1
114 1 9 CYS HA 1 10 LYS H 3.980 . 5.960 2.763 2.475 2.990 . 0 0 "[ . 1 . 2]" 1
115 1 6 CYS HA 1 31 CYS H 3.490 . 5.020 2.833 2.377 3.787 . 0 0 "[ . 1 . 2]" 1
116 1 6 CYS HA 1 8 ARG H 3.860 . 5.720 3.819 3.125 4.867 . 0 0 "[ . 1 . 2]" 1
117 1 6 CYS HA 1 7 PRO QD 2.700 2.090 4.300 1.890 1.812 2.055 0.278 14 0 "[ . 1 . 2]" 1
118 1 6 CYS HA 1 31 CYS QB 3.290 . 4.650 2.005 1.830 2.479 0.100 15 0 "[ . 1 . 2]" 1
119 1 6 CYS HA 1 29 THR MG 3.010 . 5.140 3.709 2.989 4.511 . 0 0 "[ . 1 . 2]" 1
120 1 63 PHE HA 1 64 GLU H 2.700 . 3.410 2.599 2.215 3.590 0.180 1 0 "[ . 1 . 2]" 1
121 1 23 VAL H 1 58 PHE HA 3.710 . 5.430 4.051 3.226 4.746 . 0 0 "[ . 1 . 2]" 1
122 1 58 PHE HA 1 59 ARG H 2.200 . 2.810 2.209 2.164 2.288 . 0 0 "[ . 1 . 2]" 1
123 1 26 CYS HA 1 27 GLY H 2.810 . 3.800 3.279 2.188 3.606 . 0 0 "[ . 1 . 2]" 1
124 1 57 ASN QD 1 58 PHE HA 4.590 . 8.000 4.566 3.452 6.007 . 0 0 "[ . 1 . 2]" 1
125 1 13 LYS HA 1 17 PRO HA 3.440 . 4.920 3.763 3.432 4.041 . 0 0 "[ . 1 . 2]" 1
126 1 20 LYS HA 1 21 LEU H 2.700 2.090 3.310 2.572 2.301 3.136 . 0 0 "[ . 1 . 2]" 1
127 1 3 ASP HA 1 4 GLN H 2.700 . 3.540 3.190 2.220 3.587 0.047 17 0 "[ . 1 . 2]" 1
128 1 2 ASP QB 1 14 TYR H 2.700 . 4.440 4.135 3.391 4.683 0.243 3 0 "[ . 1 . 2]" 1
129 1 2 ASP QB 1 14 TYR QD 3.230 . 6.530 3.411 1.845 5.954 0.085 15 0 "[ . 1 . 2]" 1
130 1 18 SER HA 1 19 LEU H 2.970 . 4.070 2.975 2.448 3.585 . 0 0 "[ . 1 . 2]" 1
131 1 48 GLU QB 1 50 GLY H 4.970 . 6.000 4.970 4.324 5.962 . 0 0 "[ . 1 . 2]" 1
132 1 42 GLY QA 1 43 ALA H 3.590 . 6.200 2.829 2.543 2.987 . 0 0 "[ . 1 . 2]" 1
133 1 46 CYS HA 1 48 GLU H 2.700 . 3.610 3.742 3.616 3.855 0.245 8 0 "[ . 1 . 2]" 1
134 1 46 CYS HA 1 51 THR H 5.000 . 6.000 4.814 3.788 6.773 0.773 4 4 "[ +- 1 ** 2]" 1
135 1 39 PHE QE 1 47 PRO QD 3.460 . 6.960 4.265 3.543 5.077 . 0 0 "[ . 1 . 2]" 1
136 1 39 PHE HZ 1 47 PRO QD 2.820 . 4.810 4.430 2.720 5.075 0.265 17 0 "[ . 1 . 2]" 1
137 1 21 LEU HA 1 31 CYS H 3.760 . 5.530 4.024 3.294 4.567 . 0 0 "[ . 1 . 2]" 1
138 1 21 LEU HA 1 30 LEU H 3.830 . 5.660 4.005 3.205 4.593 . 0 0 "[ . 1 . 2]" 1
139 1 21 LEU HA 1 22 MET H 2.200 . 2.810 2.261 2.203 2.366 . 0 0 "[ . 1 . 2]" 1
140 1 21 LEU HA 1 32 GLU H 2.870 . 3.900 3.350 2.399 4.052 0.152 16 0 "[ . 1 . 2]" 1
141 1 47 PRO HA 1 48 GLU H 3.050 . 4.220 3.395 3.199 3.456 . 0 0 "[ . 1 . 2]" 1
142 1 8 ARG HA 1 9 CYS H 3.060 . 4.230 3.586 3.551 3.638 . 0 0 "[ . 1 . 2]" 1
143 1 62 LEU HA 1 63 PHE H 2.700 2.090 3.310 2.869 2.205 3.587 0.277 17 0 "[ . 1 . 2]" 1
144 1 62 LEU HA 1 63 PHE QD 3.430 . 5.900 5.964 5.414 6.435 0.535 1 3 "[+ *. 1 . - 2]" 1
145 1 20 LYS QE 1 62 LEU HA 3.670 . 6.350 5.691 3.885 6.380 0.030 19 0 "[ . 1 . 2]" 1
146 1 51 THR HA 1 52 PRO QD 2.700 2.090 4.300 2.081 1.884 2.384 0.206 4 0 "[ . 1 . 2]" 1
147 1 64 GLU HA 1 65 ASP H 2.700 2.020 3.380 2.663 2.208 3.570 0.190 7 0 "[ . 1 . 2]" 1
148 1 33 SER HA 1 34 CYS H 3.010 . 4.140 3.473 3.406 3.510 . 0 0 "[ . 1 . 2]" 1
149 1 33 SER HA 1 37 LEU H 3.900 . 5.800 4.449 3.905 4.938 . 0 0 "[ . 1 . 2]" 1
150 1 33 SER HA 1 36 ASP H 2.940 . 4.020 3.804 3.489 4.246 0.226 10 0 "[ . 1 . 2]" 1
151 1 33 SER HA 1 36 ASP QB 2.700 2.050 3.520 3.140 2.578 4.058 0.538 16 2 "[ . 1- .+ 2]" 1
152 1 13 LYS HA 1 16 ASN H 2.740 . 3.680 4.350 3.974 4.583 0.903 19 17 "[ ***** *****-**** +*]" 1
153 1 13 LYS HA 1 14 TYR H 3.050 . 4.220 3.534 3.479 3.608 . 0 0 "[ . 1 . 2]" 1
154 1 16 ASN QB 1 19 LEU H 3.220 . 4.520 3.735 2.440 4.638 0.118 10 0 "[ . 1 . 2]" 1
155 1 50 GLY QA 1 51 THR H 3.050 . 5.220 2.546 2.240 2.894 . 0 0 "[ . 1 . 2]" 1
156 1 36 ASP HA 1 39 PHE H 3.260 . 4.590 4.255 3.665 5.044 0.454 8 0 "[ . 1 . 2]" 1
157 1 48 GLU HA 1 49 CYS H 3.010 . 4.140 3.596 3.515 3.649 . 0 0 "[ . 1 . 2]" 1
158 1 36 ASP HA 1 37 LEU H 3.070 . 4.240 3.618 3.578 3.658 . 0 0 "[ . 1 . 2]" 1
159 1 36 ASP HA 1 40 VAL H 3.360 . 4.780 4.080 3.569 4.615 . 0 0 "[ . 1 . 2]" 1
160 1 36 ASP HA 1 39 PHE QB 3.560 . 5.140 4.182 3.275 5.301 0.161 8 0 "[ . 1 . 2]" 1
161 1 5 GLY QA 1 6 CYS QB 4.330 . 7.000 3.835 3.668 4.053 . 0 0 "[ . 1 . 2]" 1
162 1 16 ASN HA 1 19 LEU H 4.680 . 6.000 5.512 4.129 6.422 0.422 1 0 "[ . 1 . 2]" 1
163 1 12 THR HA 1 13 LYS H 3.530 . 5.090 3.397 2.956 3.688 . 0 0 "[ . 1 . 2]" 1
164 1 61 GLN HA 1 63 PHE H 4.630 . 6.000 5.057 3.811 6.403 0.403 12 0 "[ . 1 . 2]" 1
165 1 61 GLN HA 1 62 LEU H 2.700 2.090 3.310 2.492 2.231 2.593 . 0 0 "[ . 1 . 2]" 1
166 1 14 TYR HA 1 15 ARG HE 2.700 2.090 4.010 4.264 4.101 4.417 0.407 17 0 "[ . 1 . 2]" 1
167 1 46 CYS H 1 51 THR HB 3.860 . 5.720 3.856 3.125 5.856 0.136 17 0 "[ . 1 . 2]" 1
168 1 46 CYS HB2 1 51 THR HB 3.030 . 4.180 2.755 1.864 4.148 0.016 12 0 "[ . 1 . 2]" 1
169 1 26 CYS QB 1 51 THR HB 2.890 . 3.930 3.752 2.713 4.608 0.678 2 3 "[ + *. 1 . - 2]" 1
170 1 23 VAL H 1 60 VAL HA 3.290 . 4.640 3.737 3.512 4.110 . 0 0 "[ . 1 . 2]" 1
171 1 60 VAL HA 1 61 GLN H 2.200 . 2.810 2.211 2.092 2.297 . 0 0 "[ . 1 . 2]" 1
172 1 37 LEU HA 1 38 LEU H 3.070 . 4.250 3.512 3.445 3.571 . 0 0 "[ . 1 . 2]" 1
173 1 15 ARG HA 1 16 ASN H 2.750 . 3.690 3.540 3.495 3.577 . 0 0 "[ . 1 . 2]" 1
174 1 37 LEU HA 1 40 VAL H 2.760 . 3.710 3.641 3.169 3.996 0.286 12 0 "[ . 1 . 2]" 1
175 1 22 MET HA 1 60 VAL HA 2.200 . 2.810 1.712 1.600 1.835 . 0 0 "[ . 1 . 2]" 1
176 1 22 MET QG 1 60 VAL HA 2.890 . 4.940 2.631 2.338 3.009 . 0 0 "[ . 1 . 2]" 1
177 1 6 CYS H 1 10 LYS HA 3.460 . 4.960 4.442 3.191 5.674 0.714 12 1 "[ . 1 + . 2]" 1
178 1 6 CYS QB 1 10 LYS HA 3.030 . 4.170 2.459 1.874 2.986 0.016 18 0 "[ . 1 . 2]" 1
179 1 6 CYS QB 1 7 PRO QD 3.460 . 5.950 3.489 2.835 3.769 . 0 0 "[ . 1 . 2]" 1
180 1 7 PRO QD 1 31 CYS H 3.970 . 6.940 2.551 2.104 2.852 . 0 0 "[ . 1 . 2]" 1
181 1 7 PRO QD 1 8 ARG H 2.790 . 4.760 2.082 1.831 2.557 . 0 0 "[ . 1 . 2]" 1
182 1 7 PRO QD 1 29 THR MG 2.760 . 5.710 2.548 1.750 3.633 0.060 18 0 "[ . 1 . 2]" 1
183 1 8 ARG QG 1 38 LEU HA 3.650 . 6.320 4.581 3.558 5.366 . 0 0 "[ . 1 . 2]" 1
184 1 40 VAL HA 1 41 ARG H 2.900 . 3.950 3.477 3.424 3.563 . 0 0 "[ . 1 . 2]" 1
185 1 38 LEU HA 1 39 PHE H 2.700 2.060 3.340 3.579 3.552 3.601 0.261 11 0 "[ . 1 . 2]" 1
186 1 33 SER QB 1 34 CYS H 2.700 . 3.520 3.206 3.109 3.406 . 0 0 "[ . 1 . 2]" 1
187 1 6 CYS H 1 12 THR HB 3.530 . 5.090 5.353 4.352 6.029 0.939 3 8 "[ +*. *- * . ***]" 1
188 1 51 THR H 1 52 PRO QD 3.250 . 5.570 4.235 3.421 4.418 . 0 0 "[ . 1 . 2]" 1
189 1 11 THR HB 1 15 ARG HE 3.540 . 5.100 4.669 4.221 5.207 0.107 6 0 "[ . 1 . 2]" 1
190 1 6 CYS QB 1 12 THR HB 3.200 . 4.440 3.607 2.607 4.268 . 0 0 "[ . 1 . 2]" 1
191 1 12 THR HB 1 19 LEU QD 2.820 . 7.310 2.435 1.553 4.919 0.277 12 0 "[ . 1 . 2]" 1
192 1 51 THR MG 1 52 PRO QD 2.700 . 5.410 2.318 1.735 3.687 0.255 11 0 "[ . 1 . 2]" 1
193 1 46 CYS H 1 47 PRO QD 3.960 . 6.920 4.303 4.181 4.409 . 0 0 "[ . 1 . 2]" 1
194 1 47 PRO QD 1 48 GLU H 3.480 . 6.000 2.870 2.110 3.108 . 0 0 "[ . 1 . 2]" 1
195 1 46 CYS HB2 1 47 PRO QD 3.950 . 6.900 3.638 3.422 3.912 . 0 0 "[ . 1 . 2]" 1
196 1 29 THR HB 1 30 LEU H 3.060 . 4.230 4.255 3.971 4.514 0.284 2 0 "[ . 1 . 2]" 1
197 1 19 LEU HA 1 20 LYS H 2.700 2.090 4.310 2.609 2.321 3.025 . 0 0 "[ . 1 . 2]" 1
198 1 16 ASN QD 1 19 LEU HA 3.090 . 5.280 5.160 4.384 5.586 0.306 3 0 "[ . 1 . 2]" 1
199 1 34 CYS HA 1 35 VAL H 3.110 . 4.320 3.575 3.510 3.612 . 0 0 "[ . 1 . 2]" 1
200 1 34 CYS HA 1 38 LEU H 3.240 . 4.550 3.478 3.137 3.830 . 0 0 "[ . 1 . 2]" 1
201 1 34 CYS HA 1 37 LEU H 2.700 . 3.570 3.520 3.121 4.137 0.567 10 1 "[ . + . 2]" 1
202 1 33 SER H 1 34 CYS HA 4.920 . 6.000 5.299 5.171 5.371 . 0 0 "[ . 1 . 2]" 1
203 1 25 VAL HA 1 26 CYS H 2.960 . 4.050 3.518 2.505 3.625 . 0 0 "[ . 1 . 2]" 1
204 1 44 GLY QA 1 55 LYS H 3.650 . 6.320 3.921 2.750 6.275 . 0 0 "[ . 1 . 2]" 1
205 1 44 GLY QA 1 45 ASN H 2.790 . 4.770 2.763 2.306 2.954 . 0 0 "[ . 1 . 2]" 1
206 1 5 GLY QA 1 6 CYS H 2.700 2.080 4.320 2.207 2.133 2.370 . 0 0 "[ . 1 . 2]" 1
207 1 27 GLY QA 1 28 HIS H 2.900 . 4.950 2.398 2.154 2.924 . 0 0 "[ . 1 . 2]" 1
208 1 46 CYS H 1 50 GLY QA 4.200 . 7.000 2.447 1.890 4.091 0.100 13 0 "[ . 1 . 2]" 1
209 1 49 CYS H 1 50 GLY QA 4.000 . 7.000 4.211 3.915 4.657 . 0 0 "[ . 1 . 2]" 1
210 1 14 TYR HA 1 15 ARG H 2.970 . 4.070 3.547 3.487 3.590 . 0 0 "[ . 1 . 2]" 1
211 1 45 ASN QB 1 50 GLY QA 3.190 . 4.580 2.907 2.070 3.511 . 0 0 "[ . 1 . 2]" 1
212 1 32 GLU HA 1 34 CYS H 3.880 . 5.760 3.830 3.631 4.034 . 0 0 "[ . 1 . 2]" 1
213 1 32 GLU HA 1 35 VAL H 2.700 . 3.580 3.961 3.447 4.323 0.743 6 5 "[ -* .+ 1 * . *2]" 1
214 1 32 GLU HA 1 36 ASP H 3.090 . 4.290 4.856 4.083 5.160 0.870 18 12 "[* **. -*1* * * *+**]" 1
215 1 32 GLU HA 1 33 SER H 2.950 . 4.030 3.554 3.523 3.587 . 0 0 "[ . 1 . 2]" 1
216 1 39 PHE QD 1 56 SER QB 3.960 . 7.920 3.313 2.326 4.784 . 0 0 "[ . 1 . 2]" 1
217 1 31 CYS HA 1 32 GLU HA 3.450 . 4.940 4.376 4.346 4.404 . 0 0 "[ . 1 . 2]" 1
218 1 32 GLU HA 1 35 VAL HB 2.700 2.090 4.310 3.318 2.780 3.705 . 0 0 "[ . 1 . 2]" 1
219 1 32 GLU HA 1 35 VAL MG1 2.800 . 4.780 4.105 3.392 4.704 . 0 0 "[ . 1 . 2]" 1
220 1 32 GLU HA 1 35 VAL MG2 2.700 . 4.500 4.226 3.461 4.491 . 0 0 "[ . 1 . 2]" 1
221 1 56 SER QB 1 58 PHE H 3.670 . 6.350 4.641 3.143 6.105 . 0 0 "[ . 1 . 2]" 1
222 1 56 SER QB 1 58 PHE QD 2.700 2.090 5.610 3.590 2.263 5.063 . 0 0 "[ . 1 . 2]" 1
223 1 39 PHE QE 1 56 SER QB 4.380 . 8.000 3.706 2.569 4.775 . 0 0 "[ . 1 . 2]" 1
224 1 24 ASN QD 1 56 SER QB 2.930 . 8.500 6.953 5.544 7.447 . 0 0 "[ . 1 . 2]" 1
225 1 6 CYS QB 1 31 CYS QB 2.700 2.090 3.310 1.837 1.767 1.970 0.323 14 0 "[ . 1 . 2]" 1
226 1 6 CYS QB 1 31 CYS H 3.490 . 3.590 3.805 3.651 4.077 0.487 15 0 "[ . 1 . 2]" 1
227 1 6 CYS QB 1 8 ARG H 3.750 . 5.510 4.500 4.032 5.399 . 0 0 "[ . 1 . 2]" 1
228 1 6 CYS QB 1 12 THR H 2.700 2.040 3.610 3.397 2.504 4.599 0.989 15 1 "[ . 1 + 2]" 1
229 1 27 GLY QA 1 28 HIS HD2 5.000 . 7.000 5.216 4.470 6.122 . 0 0 "[ . 1 . 2]" 1
230 1 8 ARG QD 1 34 CYS QB 2.710 . 4.630 3.316 3.035 3.769 . 0 0 "[ . 1 . 2]" 1
231 1 6 CYS QB 1 12 THR MG 3.120 . 5.340 3.186 1.606 4.510 0.314 15 0 "[ . 1 . 2]" 1
232 1 6 CYS QB 1 19 LEU QD 3.800 . 7.680 4.182 3.022 5.483 . 0 0 "[ . 1 . 2]" 1
233 1 6 CYS QB 1 21 LEU QD 3.110 . 7.110 3.212 2.802 3.674 . 0 0 "[ . 1 . 2]" 1
234 1 16 ASN H 1 17 PRO QD 3.440 . 5.920 4.157 3.824 4.366 . 0 0 "[ . 1 . 2]" 1
235 1 26 CYS H 1 27 GLY QA 4.240 . 7.000 4.697 3.558 5.233 . 0 0 "[ . 1 . 2]" 1
236 1 31 CYS QB 1 34 CYS H 3.940 . 5.880 3.718 3.550 3.901 . 0 0 "[ . 1 . 2]" 1
237 1 20 LYS H 1 31 CYS QB 3.500 . 5.530 5.265 4.397 5.653 0.123 9 0 "[ . 1 . 2]" 1
238 1 31 CYS QB 1 32 GLU H 2.700 2.090 3.310 2.778 2.309 3.058 . 0 0 "[ . 1 . 2]" 1
239 1 31 CYS QB 1 33 SER H 2.910 . 3.970 3.669 3.453 3.840 . 0 0 "[ . 1 . 2]" 1
240 1 21 LEU HA 1 31 CYS QB 3.020 . 4.450 3.661 3.335 4.517 0.067 19 0 "[ . 1 . 2]" 1
241 1 19 LEU QD 1 31 CYS QB 2.700 . 7.110 3.158 1.714 4.309 0.226 19 0 "[ . 1 . 2]" 1
242 1 11 THR MG 1 31 CYS QB 4.100 . 6.490 5.359 5.248 5.481 . 0 0 "[ . 1 . 2]" 1
243 1 28 HIS QB 1 29 THR H 2.740 . 3.680 1.793 1.738 2.062 0.222 6 0 "[ . 1 . 2]" 1
244 1 46 CYS HB2 1 51 THR MG 3.380 . 5.810 3.142 1.711 4.233 0.239 7 0 "[ . 1 . 2]" 1
245 1 35 VAL HA 1 39 PHE QE 2.700 . 5.600 2.569 1.838 3.030 . 0 0 "[ . 1 . 2]" 1
246 1 35 VAL HA 1 39 PHE HZ 4.130 . 6.000 3.205 2.434 4.574 . 0 0 "[ . 1 . 2]" 1
247 1 35 VAL HA 1 38 LEU H 2.720 . 3.640 3.930 3.608 4.318 0.678 18 4 "[ * .* 1 - . + 2]" 1
248 1 35 VAL HA 1 36 ASP H 3.020 . 4.160 3.529 3.482 3.590 . 0 0 "[ . 1 . 2]" 1
249 1 35 VAL HA 1 37 LEU H 4.010 . 6.000 5.070 4.702 5.596 . 0 0 "[ . 1 . 2]" 1
250 1 35 VAL HA 1 39 PHE QD 2.700 2.090 5.300 3.295 1.853 4.056 0.237 8 0 "[ . 1 . 2]" 1
251 1 35 VAL HA 1 58 PHE HZ 4.590 . 6.000 5.405 4.320 6.046 0.046 17 0 "[ . 1 . 2]" 1
252 1 31 CYS H 1 34 CYS QB 2.700 . 3.600 2.655 1.852 3.151 . 0 0 "[ . 1 . 2]" 1
253 1 30 LEU QB 1 34 CYS QB 2.700 . 3.400 3.287 2.860 3.432 0.032 9 0 "[ . 1 . 2]" 1
254 1 46 CYS HB3 1 48 GLU H 3.560 . 5.140 2.861 2.282 3.123 . 0 0 "[ . 1 . 2]" 1
255 1 46 CYS HB3 1 50 GLY H 2.700 . 4.430 2.349 1.944 4.149 0.026 15 0 "[ . 1 . 2]" 1
256 1 46 CYS HB3 1 51 THR H 2.700 2.050 4.350 2.774 1.974 4.721 0.371 15 0 "[ . 1 . 2]" 1
257 1 46 CYS HB3 1 49 CYS H 2.700 . 3.540 2.275 1.828 2.895 0.032 17 0 "[ . 1 . 2]" 1
258 1 15 ARG QD 1 16 ASN H 5.000 . 7.000 4.356 3.931 4.745 . 0 0 "[ . 1 . 2]" 1
259 1 11 THR MG 1 15 ARG QD 3.410 . 6.860 3.562 1.856 5.394 0.104 3 0 "[ . 1 . 2]" 1
260 1 9 CYS HB3 1 10 LYS H 4.840 . 6.000 4.675 4.592 4.708 . 0 0 "[ . 1 . 2]" 1
261 1 14 TYR QD 1 15 ARG QD 4.220 . 8.000 4.000 1.820 5.124 0.170 12 0 "[ . 1 . 2]" 1
262 1 14 TYR QE 1 15 ARG QD 4.410 . 8.000 5.189 2.854 6.786 . 0 0 "[ . 1 . 2]" 1
263 1 26 CYS QB 1 51 THR MG 2.770 . 4.410 3.011 2.294 3.797 . 0 0 "[ . 1 . 2]" 1
264 1 55 LYS QE 1 56 SER H 4.530 . 7.000 4.352 2.873 5.345 . 0 0 "[ . 1 . 2]" 1
265 1 63 PHE QB 1 64 GLU H 2.870 . 3.900 3.654 1.958 4.073 0.173 9 0 "[ . 1 . 2]" 1
266 1 46 CYS HB2 1 50 GLY H 3.050 . 4.220 3.923 3.262 5.094 0.874 18 2 "[ . 1 . -+ 2]" 1
267 1 46 CYS HB2 1 51 THR H 2.700 . 3.490 2.693 1.869 4.477 0.987 5 4 "[ -+ 1 ** 2]" 1
268 1 46 CYS HB2 1 49 CYS H 3.370 . 4.790 3.689 3.291 4.107 . 0 0 "[ . 1 . 2]" 1
269 1 39 PHE QB 1 41 ARG QG 2.700 . 5.560 5.312 5.166 5.635 0.075 12 0 "[ . 1 . 2]" 1
270 1 35 VAL MG1 1 39 PHE QB 2.700 . 4.600 3.965 3.663 4.353 . 0 0 "[ . 1 . 2]" 1
271 1 28 HIS QB 1 48 GLU QB 3.600 . 4.440 3.748 2.935 4.270 . 0 0 "[ . 1 . 2]" 1
272 1 8 ARG QD 1 47 PRO QG 3.220 . 6.520 4.505 2.931 5.868 . 0 0 "[ . 1 . 2]" 1
273 1 58 PHE QB 1 59 ARG H 3.780 . 4.200 3.540 3.208 3.748 . 0 0 "[ . 1 . 2]" 1
274 1 8 ARG QD 1 47 PRO HB2 3.250 . 5.570 3.766 1.985 5.668 0.098 7 0 "[ . 1 . 2]" 1
275 1 58 PHE QB 1 60 VAL HB 2.920 2.030 4.370 4.205 3.575 4.495 0.125 12 0 "[ . 1 . 2]" 1
276 1 24 ASN QB 1 57 ASN QD 3.600 . 8.220 2.191 1.705 3.590 0.275 20 0 "[ . 1 . 2]" 1
277 1 24 ASN HB3 1 25 VAL H 3.100 . 4.300 3.275 2.334 4.187 . 0 0 "[ . 1 . 2]" 1
278 1 24 ASN QB 1 26 CYS H 3.170 . 5.430 3.680 2.483 4.867 . 0 0 "[ . 1 . 2]" 1
279 1 24 ASN QB 1 59 ARG QG 2.700 2.090 5.300 4.690 3.321 4.935 . 0 0 "[ . 1 . 2]" 1
280 1 23 VAL H 1 58 PHE QB 3.970 . 5.940 4.360 3.769 5.256 . 0 0 "[ . 1 . 2]" 1
281 1 35 VAL HB 1 58 PHE QB 2.840 . 4.850 4.257 4.031 4.438 . 0 0 "[ . 1 . 2]" 1
282 1 35 VAL MG2 1 58 PHE QB 3.970 . 6.940 1.986 1.726 2.328 0.274 2 0 "[ . 1 . 2]" 1
283 1 13 LYS QE 1 14 TYR QE 4.250 . 9.000 5.848 4.138 7.249 . 0 0 "[ . 1 . 2]" 1
284 1 12 THR MG 1 16 ASN QB 2.700 . 4.460 3.115 1.676 3.793 0.264 14 0 "[ . 1 . 2]" 1
285 1 34 CYS QB 1 35 VAL H 2.960 . 3.500 2.266 1.919 2.438 . 0 0 "[ . 1 . 2]" 1
286 1 6 CYS H 1 31 CYS QB 3.530 . 5.090 3.155 2.605 3.734 . 0 0 "[ . 1 . 2]" 1
287 1 29 THR MG 1 31 CYS QB 3.350 . 5.750 4.018 3.771 4.346 . 0 0 "[ . 1 . 2]" 1
288 1 36 ASP QB 1 37 LEU H 2.700 . 3.520 2.957 2.121 3.218 . 0 0 "[ . 1 . 2]" 1
289 1 57 ASN QB 1 58 PHE H 3.520 . 3.610 3.791 3.324 4.070 0.460 10 0 "[ . 1 . 2]" 1
290 1 28 HIS HD2 1 49 CYS HB3 4.980 . 6.000 5.320 4.784 5.722 . 0 0 "[ . 1 . 2]" 1
291 1 9 CYS HB2 1 10 LYS H 4.740 . 6.000 4.302 4.202 4.532 . 0 0 "[ . 1 . 2]" 1
292 1 17 PRO QB 1 18 SER H 4.000 . 7.000 3.160 2.217 4.021 . 0 0 "[ . 1 . 2]" 1
293 1 45 ASN QB 1 46 CYS H 3.400 . 3.760 3.539 2.255 3.900 0.140 5 0 "[ . 1 . 2]" 1
294 1 47 PRO HB3 1 48 GLU H 3.930 . 5.860 4.419 4.356 4.475 . 0 0 "[ . 1 . 2]" 1
295 1 52 PRO HB3 1 53 LEU H 3.550 . 5.120 4.591 4.453 4.703 . 0 0 "[ . 1 . 2]" 1
296 1 21 LEU HB3 1 22 MET QG 3.070 . 5.250 4.640 4.278 4.903 . 0 0 "[ . 1 . 2]" 1
297 1 22 MET QG 1 35 VAL MG2 3.320 . 6.700 2.618 1.841 3.323 0.099 10 0 "[ . 1 . 2]" 1
298 1 7 PRO QG 1 29 THR H 3.710 . 6.430 4.499 3.659 5.691 . 0 0 "[ . 1 . 2]" 1
299 1 7 PRO QG 1 29 THR MG 3.260 . 6.590 2.780 1.814 3.966 0.116 18 0 "[ . 1 . 2]" 1
300 1 20 LYS H 1 32 GLU QG 3.950 . 6.900 3.622 2.041 4.680 . 0 0 "[ . 1 . 2]" 1
301 1 32 GLU QG 1 36 ASP H 3.720 . 6.450 5.721 4.922 6.541 0.091 3 0 "[ . 1 . 2]" 1
302 1 32 GLU QG 1 33 SER H 3.150 . 5.390 2.097 1.664 3.278 0.246 5 0 "[ . 1 . 2]" 1
303 1 32 GLU QG 1 35 VAL MG1 3.960 . 7.920 5.702 4.731 6.562 . 0 0 "[ . 1 . 2]" 1
304 1 40 VAL HB 1 41 ARG H 3.980 . 5.960 3.972 3.667 4.219 . 0 0 "[ . 1 . 2]" 1
305 1 37 LEU HB3 1 38 LEU H 2.700 . 3.610 3.280 2.453 3.743 0.133 8 0 "[ . 1 . 2]" 1
306 1 45 ASN QB 1 50 GLY H 3.800 . 5.610 4.864 4.061 5.265 . 0 0 "[ . 1 . 2]" 1
307 1 4 GLN QG 1 5 GLY H 4.140 . 7.000 3.996 2.185 4.582 . 0 0 "[ . 1 . 2]" 1
308 1 47 PRO HB2 1 48 GLU H 2.700 . 3.510 3.820 3.715 4.075 0.565 17 1 "[ . 1 . + 2]" 1
309 1 25 VAL HB 1 26 CYS H 3.190 . 4.470 3.769 3.444 4.630 0.160 16 0 "[ . 1 . 2]" 1
310 1 7 PRO QG 1 21 LEU HG 3.290 . 5.640 5.519 4.916 6.351 0.711 19 1 "[ . 1 . +2]" 1
311 1 23 VAL H 1 59 ARG QG 4.290 . 7.000 2.110 1.786 2.718 0.204 8 0 "[ . 1 . 2]" 1
312 1 41 ARG HB3 1 43 ALA H 4.210 . 6.000 5.535 4.948 6.133 0.133 9 0 "[ . 1 . 2]" 1
313 1 20 LYS H 1 32 GLU QB 4.200 . 7.000 2.566 1.728 3.625 0.262 19 0 "[ . 1 . 2]" 1
314 1 30 LEU QB 1 34 CYS H 3.310 . 5.180 5.178 4.686 5.511 0.331 20 0 "[ . 1 . 2]" 1
315 1 7 PRO HB3 1 8 ARG H 3.120 . 4.330 4.133 3.563 4.553 0.223 12 0 "[ . 1 . 2]" 1
316 1 46 CYS H 1 53 LEU QB 2.700 . 3.570 4.112 3.505 4.336 0.766 5 13 "[* *+** **** * ** -]" 1
317 1 47 PRO QG 1 48 GLU H 2.700 . 4.600 2.969 2.714 3.574 . 0 0 "[ . 1 . 2]" 1
318 1 17 PRO QG 1 18 SER H 3.220 . 5.520 2.817 1.856 4.519 0.064 13 0 "[ . 1 . 2]" 1
319 1 55 LYS QB 1 57 ASN H 4.160 . 7.000 5.234 3.784 6.377 . 0 0 "[ . 1 . 2]" 1
320 1 34 CYS HA 1 37 LEU HB2 3.940 . 5.880 3.399 2.799 3.933 . 0 0 "[ . 1 . 2]" 1
321 1 32 GLU QB 1 33 SER H 3.050 . 5.210 3.077 2.543 3.361 . 0 0 "[ . 1 . 2]" 1
322 1 11 THR MG 1 15 ARG QB 2.870 . 5.730 3.235 2.167 3.773 . 0 0 "[ . 1 . 2]" 1
323 1 22 MET QB 1 23 VAL H 2.700 . 4.510 2.922 2.433 3.360 . 0 0 "[ . 1 . 2]" 1
324 1 52 PRO HB2 1 53 LEU H 3.980 . 5.960 4.286 4.143 4.373 . 0 0 "[ . 1 . 2]" 1
325 1 23 VAL HB 1 30 LEU H 3.400 . 4.850 5.690 5.331 5.822 0.972 11 19 "[*****-****+ ********]" 1
326 1 35 VAL HB 1 36 ASP H 2.700 2.090 3.310 3.067 2.519 3.380 0.070 18 0 "[ . 1 . 2]" 1
327 1 35 VAL HB 1 37 LEU H 4.290 . 6.000 5.760 5.477 6.160 0.160 11 0 "[ . 1 . 2]" 1
328 1 23 VAL HB 1 24 ASN H 2.880 . 3.920 3.977 3.472 4.563 0.643 16 1 "[ . 1 .+ 2]" 1
329 1 23 VAL HB 1 27 GLY QA 3.580 . 6.180 4.609 4.014 5.630 . 0 0 "[ . 1 . 2]" 1
330 1 4 GLN HB3 1 5 GLY H 3.280 . 4.620 3.156 1.849 4.279 0.091 6 0 "[ . 1 . 2]" 1
331 1 41 ARG HB2 1 43 ALA H 3.640 . 5.300 4.085 3.288 5.589 0.289 12 0 "[ . 1 . 2]" 1
332 1 21 LEU HB3 1 61 GLN QE 4.640 . 7.000 6.401 3.917 7.249 0.249 16 0 "[ . 1 . 2]" 1
333 1 21 LEU HB3 1 31 CYS HA 3.550 . 5.130 3.508 2.769 4.355 . 0 0 "[ . 1 . 2]" 1
334 1 41 ARG HB3 1 42 GLY H 5.000 . 6.000 4.081 3.246 4.587 . 0 0 "[ . 1 . 2]" 1
335 1 21 LEU HB3 1 32 GLU H 4.610 . 6.000 5.733 4.790 6.265 0.265 16 0 "[ . 1 . 2]" 1
336 1 21 LEU HB3 1 29 THR MG 2.700 . 4.480 2.456 1.719 3.204 0.201 15 0 "[ . 1 . 2]" 1
337 1 30 LEU QB 1 31 CYS H 3.220 . 3.540 3.910 3.251 4.024 0.484 20 0 "[ . 1 . 2]" 1
338 1 61 GLN QB 1 63 PHE H 3.550 . 5.130 4.476 3.029 5.449 0.319 15 0 "[ . 1 . 2]" 1
339 1 61 GLN QB 1 62 LEU H 2.810 . 3.440 2.598 2.370 3.342 . 0 0 "[ . 1 . 2]" 1
340 1 15 ARG QB 1 16 ASN H 2.700 . 3.610 2.083 1.806 2.370 0.024 3 0 "[ . 1 . 2]" 1
341 1 14 TYR H 1 15 ARG QB 3.820 . 5.650 4.277 3.931 4.473 . 0 0 "[ . 1 . 2]" 1
342 1 44 GLY H 1 55 LYS QD 3.820 . 6.640 6.397 5.313 6.673 0.033 2 0 "[ . 1 . 2]" 1
343 1 48 GLU QG 1 49 CYS H 3.700 . 6.410 2.153 1.763 3.154 0.227 10 0 "[ . 1 . 2]" 1
344 1 28 HIS HD2 1 48 GLU QG 3.060 . 5.230 3.605 2.293 4.327 . 0 0 "[ . 1 . 2]" 1
345 1 38 LEU QB 1 39 PHE HZ 2.700 . 4.590 3.660 3.257 4.323 . 0 0 "[ . 1 . 2]" 1
346 1 55 LYS QD 1 57 ASN QD 3.900 . 8.800 4.791 3.187 6.755 . 0 0 "[ . 1 . 2]" 1
347 1 28 HIS QB 1 48 GLU QG 3.860 . 6.720 2.485 1.814 3.344 0.186 16 0 "[ . 1 . 2]" 1
348 1 59 ARG HB2 1 60 VAL H 2.870 . 3.900 3.898 3.696 4.106 0.206 3 0 "[ . 1 . 2]" 1
349 1 55 LYS QD 1 57 ASN H 5.000 . 7.000 3.798 2.380 5.919 . 0 0 "[ . 1 . 2]" 1
350 1 38 LEU QB 1 39 PHE QE 2.700 2.070 5.610 2.647 2.366 3.015 . 0 0 "[ . 1 . 2]" 1
351 1 38 LEU QB 1 39 PHE QD 2.700 2.080 5.610 2.638 2.063 3.164 0.017 6 0 "[ . 1 . 2]" 1
352 1 35 VAL HA 1 38 LEU QB 2.700 . 4.570 2.517 2.255 2.907 . 0 0 "[ . 1 . 2]" 1
353 1 34 CYS QB 1 38 LEU QB 3.320 . 5.700 3.106 2.588 3.978 . 0 0 "[ . 1 . 2]" 1
354 1 41 ARG QG 1 43 ALA H 4.060 . 7.000 4.622 3.812 5.506 . 0 0 "[ . 1 . 2]" 1
355 1 20 LYS QB 1 21 LEU H 2.740 . 4.680 2.344 1.814 2.992 . 0 0 "[ . 1 . 2]" 1
356 1 20 LYS QB 1 62 LEU H 3.610 . 6.240 3.882 3.431 4.282 . 0 0 "[ . 1 . 2]" 1
357 1 20 LYS QB 1 22 MET HA 3.630 . 6.280 5.353 4.936 5.660 . 0 0 "[ . 1 . 2]" 1
358 1 20 LYS QB 1 61 GLN QB 2.700 2.090 5.300 4.583 4.183 5.016 . 0 0 "[ . 1 . 2]" 1
359 1 8 ARG QB 1 9 CYS H 2.700 2.090 3.310 2.025 1.801 2.670 0.289 13 0 "[ . 1 . 2]" 1
360 1 16 ASN QB 1 19 LEU QB 2.730 2.020 4.380 2.406 1.758 3.363 0.262 20 0 "[ . 1 . 2]" 1
361 1 8 ARG QB 1 38 LEU H 2.700 . 4.460 4.917 4.777 5.041 0.581 15 2 "[ - . 1 + 2]" 1
362 1 55 LYS QG 1 57 ASN H 3.060 . 5.230 4.393 2.330 5.396 0.166 4 0 "[ . 1 . 2]" 1
363 1 15 ARG QG 1 16 ASN H 3.250 . 5.570 4.020 3.394 4.269 . 0 0 "[ . 1 . 2]" 1
364 1 14 TYR QD 1 15 ARG QG 2.740 . 5.680 4.222 2.267 5.127 . 0 0 "[ . 1 . 2]" 1
365 1 14 TYR QE 1 15 ARG QG 4.120 . 8.000 5.467 3.268 6.706 . 0 0 "[ . 1 . 2]" 1
366 1 26 CYS H 1 59 ARG QG 4.280 . 7.000 7.403 6.421 8.447 1.447 12 9 "[** -. *1*+ * * *]" 1
367 1 58 PHE QE 1 59 ARG QG 4.290 . 8.000 7.020 6.720 7.551 . 0 0 "[ . 1 . 2]" 1
368 1 22 MET QG 1 23 VAL H 4.350 . 7.000 4.503 4.270 4.648 . 0 0 "[ . 1 . 2]" 1
369 1 62 LEU QB 1 63 PHE H 3.260 . 3.900 3.263 1.850 4.000 0.100 19 0 "[ . 1 . 2]" 1
370 1 21 LEU HB2 1 31 CYS HA 3.620 . 5.260 3.989 3.640 4.308 . 0 0 "[ . 1 . 2]" 1
371 1 19 LEU QD 1 21 LEU HB2 2.710 . 7.130 4.962 3.114 5.902 . 0 0 "[ . 1 . 2]" 1
372 1 8 ARG QG 1 9 CYS H 3.320 . 5.700 3.662 3.387 4.021 . 0 0 "[ . 1 . 2]" 1
373 1 48 GLU QB 1 49 CYS H 2.700 . 3.570 3.286 2.435 3.714 0.144 8 0 "[ . 1 . 2]" 1
374 1 28 HIS HD2 1 48 GLU QB 3.280 . 5.620 4.702 3.907 5.556 . 0 0 "[ . 1 . 2]" 1
375 1 43 ALA MB 1 44 GLY H 2.700 2.030 4.370 3.213 2.032 3.733 . 0 0 "[ . 1 . 2]" 1
376 1 40 VAL H 1 43 ALA MB 3.570 . 6.160 4.926 4.530 6.133 . 0 0 "[ . 1 . 2]" 1
377 1 30 LEU QB 1 58 PHE QD 4.410 . 7.000 2.681 1.847 3.921 0.123 15 0 "[ . 1 . 2]" 1
378 1 30 LEU QB 1 58 PHE QE 3.690 . 6.390 3.880 2.678 5.620 . 0 0 "[ . 1 . 2]" 1
379 1 24 ASN QD 1 30 LEU QB 3.620 . 8.760 3.197 1.818 5.383 0.162 13 0 "[ . 1 . 2]" 1
380 1 30 LEU QB 1 31 CYS HA 5.000 . 6.000 4.846 4.282 5.035 . 0 0 "[ . 1 . 2]" 1
381 1 30 LEU QB 1 35 VAL MG1 4.400 . 7.000 5.010 4.174 5.722 . 0 0 "[ . 1 . 2]" 1
382 1 30 LEU QB 1 35 VAL HB 3.580 . 5.180 4.291 3.106 4.985 . 0 0 "[ . 1 . 2]" 1
383 1 6 CYS H 1 12 THR MG 3.490 . 6.010 5.063 2.770 5.777 . 0 0 "[ . 1 . 2]" 1
384 1 11 THR MG 1 16 ASN H 3.010 . 5.140 4.245 3.743 4.625 . 0 0 "[ . 1 . 2]" 1
385 1 11 THR MG 1 15 ARG HE 2.700 . 4.400 4.043 3.028 4.509 0.109 12 0 "[ . 1 . 2]" 1
386 1 11 THR MG 1 15 ARG H 4.340 . 7.000 4.323 3.350 5.091 . 0 0 "[ . 1 . 2]" 1
387 1 12 THR MG 1 16 ASN QD 3.320 . 6.700 3.193 1.786 5.101 0.154 1 0 "[ . 1 . 2]" 1
388 1 11 THR MG 1 16 ASN QB 2.700 . 4.420 4.286 4.100 4.421 0.001 3 0 "[ . 1 . 2]" 1
389 1 12 THR MG 1 19 LEU QD 2.700 . 8.110 2.398 1.590 3.713 0.400 11 0 "[ . 1 . 2]" 1
390 1 13 LYS QB 1 14 TYR H 3.750 . 5.500 3.491 3.152 3.632 . 0 0 "[ . 1 . 2]" 1
391 1 29 THR MG 1 31 CYS H 3.810 . 6.620 3.300 3.099 4.165 . 0 0 "[ . 1 . 2]" 1
392 1 20 LYS QG 1 21 LEU H 3.160 . 5.410 3.665 2.081 4.284 . 0 0 "[ . 1 . 2]" 1
393 1 20 LYS QG 1 32 GLU H 3.780 . 5.560 4.622 3.550 6.469 0.909 3 1 "[ + . 1 . 2]" 1
394 1 20 LYS QG 1 31 CYS HA 3.310 . 5.680 5.399 4.822 5.969 0.289 11 0 "[ . 1 . 2]" 1
395 1 20 LYS QG 1 21 LEU HA 3.260 . 5.590 4.481 3.954 5.788 0.198 11 0 "[ . 1 . 2]" 1
396 1 6 CYS QB 1 29 THR MG 3.840 . 6.680 4.947 4.450 5.623 . 0 0 "[ . 1 . 2]" 1
397 1 21 LEU QD 1 29 THR MG 2.700 2.050 8.110 2.271 1.580 2.944 0.470 19 0 "[ . 1 . 2]" 1
398 1 29 THR MG 1 30 LEU H 2.700 . 4.400 2.353 1.848 2.916 0.152 8 0 "[ . 1 . 2]" 1
399 1 5 GLY H 1 29 THR MG 4.800 . 6.000 5.355 4.204 6.838 0.838 15 1 "[ . 1 + 2]" 1
400 1 21 LEU HG 1 22 MET H 2.700 . 3.590 3.993 3.360 4.392 0.802 1 7 "[+ *. * 1* *.- *]" 1
401 1 21 LEU HG 1 29 THR HB 3.970 . 5.940 5.959 5.436 6.574 0.634 7 1 "[ . + 1 . 2]" 1
402 1 46 CYS H 1 53 LEU HG 3.590 . 5.200 4.618 3.103 5.917 0.717 13 2 "[ . 1 + . - 2]" 1
403 1 26 CYS H 1 53 LEU HG 3.380 . 4.810 5.386 4.579 5.739 0.929 16 14 "[ ***. ** -** **+***2]" 1
404 1 53 LEU HG 1 57 ASN QD 4.230 . 8.000 2.957 1.768 4.330 0.222 1 0 "[ . 1 . 2]" 1
405 1 21 LEU HG 1 31 CYS HA 3.540 . 5.100 1.962 1.860 2.428 0.120 1 0 "[ . 1 . 2]" 1
406 1 25 VAL HB 1 51 THR MG 3.510 . 6.050 4.970 3.659 5.740 . 0 0 "[ . 1 . 2]" 1
407 1 6 CYS H 1 13 LYS QD 3.330 . 5.720 2.394 1.776 4.005 0.164 1 0 "[ . 1 . 2]" 1
408 1 5 GLY H 1 13 LYS QD 3.530 . 7.090 4.597 3.574 5.398 . 0 0 "[ . 1 . 2]" 1
409 1 13 LYS QD 1 14 TYR H 3.400 . 5.840 1.953 1.736 2.568 0.224 11 0 "[ . 1 . 2]" 1
410 1 13 LYS QD 1 15 ARG HE 2.700 . 4.450 4.797 4.699 4.903 0.453 6 0 "[ . 1 . 2]" 1
411 1 13 LYS QD 1 14 TYR QE 4.730 . 9.000 6.534 5.009 7.526 . 0 0 "[ . 1 . 2]" 1
412 1 5 GLY QA 1 13 LYS QD 2.700 . 5.540 3.093 1.854 3.860 0.006 17 0 "[ . 1 . 2]" 1
413 1 38 LEU HG 1 39 PHE HZ 4.510 . 6.000 3.545 2.324 4.210 . 0 0 "[ . 1 . 2]" 1
414 1 35 VAL HA 1 38 LEU HG 3.410 . 4.860 3.905 3.478 4.223 . 0 0 "[ . 1 . 2]" 1
415 1 38 LEU HG 1 58 PHE QB 2.850 . 5.860 6.201 5.919 6.555 0.695 13 5 "[ - .* * 1 + . * 2]" 1
416 1 38 LEU HG 1 39 PHE QD 2.750 . 5.690 3.834 3.141 4.789 . 0 0 "[ . 1 . 2]" 1
417 1 38 LEU HG 1 39 PHE QE 2.970 . 5.070 2.506 1.843 3.681 0.027 14 0 "[ . 1 . 2]" 1
418 1 13 LYS QD 1 20 LYS HA 2.700 2.090 5.800 5.588 5.471 5.738 . 0 0 "[ . 1 . 2]" 1
419 1 40 VAL MG1 1 41 ARG H 4.570 . 7.000 3.986 3.794 4.147 . 0 0 "[ . 1 . 2]" 1
420 1 39 PHE H 1 40 VAL MG1 3.720 . 6.450 3.851 3.588 4.197 . 0 0 "[ . 1 . 2]" 1
421 1 36 ASP HA 1 40 VAL MG1 3.850 . 6.700 2.967 2.645 3.098 . 0 0 "[ . 1 . 2]" 1
422 1 25 VAL MG1 1 57 ASN QB 3.150 . 4.650 3.754 3.343 4.273 . 0 0 "[ . 1 . 2]" 1
423 1 25 VAL MG1 1 57 ASN QD 3.450 . 7.940 1.901 1.589 2.693 0.371 6 0 "[ . 1 . 2]" 1
424 1 25 VAL MG1 1 26 CYS H 2.900 . 4.950 1.906 1.715 3.975 0.135 13 0 "[ . 1 . 2]" 1
425 1 60 VAL MG1 1 61 GLN H 3.120 . 5.340 3.672 3.157 3.991 . 0 0 "[ . 1 . 2]" 1
426 1 40 VAL MG2 1 41 ARG H 3.100 . 5.300 2.299 1.980 2.526 . 0 0 "[ . 1 . 2]" 1
427 1 21 LEU H 1 60 VAL MG1 4.800 . 7.000 5.811 4.708 6.447 . 0 0 "[ . 1 . 2]" 1
428 1 22 MET HA 1 60 VAL MG1 3.600 . 6.220 4.434 4.289 4.550 . 0 0 "[ . 1 . 2]" 1
429 1 39 PHE H 1 40 VAL MG2 3.830 . 6.660 3.530 3.126 3.988 . 0 0 "[ . 1 . 2]" 1
430 1 30 LEU HG 1 34 CYS HA 3.750 . 5.510 4.140 3.700 4.395 . 0 0 "[ . 1 . 2]" 1
431 1 8 ARG QD 1 30 LEU HG 2.700 . 4.570 4.772 4.426 4.895 0.325 3 0 "[ . 1 . 2]" 1
432 1 30 LEU HG 1 47 PRO HB3 2.700 2.030 5.070 4.227 3.907 4.746 . 0 0 "[ . 1 . 2]" 1
433 1 30 LEU HG 1 31 CYS H 2.700 . 3.600 3.814 3.457 4.085 0.485 8 0 "[ . 1 . 2]" 1
434 1 30 LEU HG 1 39 PHE QE 2.700 2.090 5.310 4.523 2.962 5.228 . 0 0 "[ . 1 . 2]" 1
435 1 30 LEU HG 1 58 PHE QE 2.700 . 5.430 5.050 4.391 5.764 0.334 13 0 "[ . 1 . 2]" 1
436 1 24 ASN QD 1 30 LEU HG 3.000 . 7.620 5.391 3.638 7.872 0.252 12 0 "[ . 1 . 2]" 1
437 1 30 LEU HG 1 47 PRO QD 2.700 . 4.450 4.344 3.576 4.693 0.243 19 0 "[ . 1 . 2]" 1
438 1 30 LEU HG 1 35 VAL HA 2.700 2.030 3.370 3.422 2.610 3.768 0.398 12 0 "[ . 1 . 2]" 1
439 1 30 LEU HG 1 34 CYS QB 2.700 2.070 3.330 1.741 1.680 1.833 0.390 4 0 "[ . 1 . 2]" 1
440 1 30 LEU HG 1 35 VAL MG1 3.060 . 5.230 5.012 4.592 5.231 0.001 12 0 "[ . 1 . 2]" 1
441 1 30 LEU HG 1 39 PHE HZ 2.860 . 3.880 4.573 3.916 4.803 0.923 16 16 "[ **** * **-** *+****]" 1
442 1 23 VAL MG1 1 29 THR H 3.640 . 6.300 4.602 3.776 5.828 . 0 0 "[ . 1 . 2]" 1
443 1 23 VAL MG1 1 24 ASN H 2.700 2.080 4.320 2.024 1.753 3.251 0.327 14 0 "[ . 1 . 2]" 1
444 1 23 VAL MG1 1 27 GLY H 2.740 . 4.680 3.413 2.839 4.566 . 0 0 "[ . 1 . 2]" 1
445 1 23 VAL MG1 1 27 GLY QA 2.820 . 5.820 2.022 1.684 2.827 0.136 13 0 "[ . 1 . 2]" 1
446 1 60 VAL MG2 1 61 GLN H 2.700 . 4.430 2.177 1.864 2.785 0.106 19 0 "[ . 1 . 2]" 1
447 1 21 LEU H 1 60 VAL MG2 3.520 . 6.070 3.386 2.475 3.841 . 0 0 "[ . 1 . 2]" 1
448 1 53 LEU QD 1 55 LYS H 3.150 . 7.890 4.013 2.691 5.389 . 0 0 "[ . 1 . 2]" 1
449 1 25 VAL MG2 1 57 ASN QD 4.320 . 9.000 4.040 3.206 5.013 . 0 0 "[ . 1 . 2]" 1
450 1 25 VAL MG2 1 26 CYS H 2.700 2.090 4.310 2.414 1.789 3.765 0.301 12 0 "[ . 1 . 2]" 1
451 1 53 LEU QD 1 57 ASN QD 3.170 . 9.930 1.826 1.577 2.639 0.333 14 0 "[ . 1 . 2]" 1
452 1 47 PRO QD 1 53 LEU QD 2.700 . 8.110 3.911 2.822 5.854 . 0 0 "[ . 1 . 2]" 1
453 1 16 ASN QB 1 19 LEU QD 3.290 . 7.770 2.066 1.458 3.947 0.482 6 0 "[ . 1 . 2]" 1
454 1 19 LEU QD 1 31 CYS H 4.640 . 9.500 5.639 3.949 6.943 . 0 0 "[ . 1 . 2]" 1
455 1 46 CYS H 1 53 LEU QD 3.030 . 7.680 2.738 1.937 4.731 . 0 0 "[ . 1 . 2]" 1
456 1 19 LEU QD 1 20 LYS H 2.700 . 7.110 2.261 1.687 3.237 0.133 13 0 "[ . 1 . 2]" 1
457 1 6 CYS H 1 19 LEU QD 3.070 . 7.750 5.024 3.725 5.982 . 0 0 "[ . 1 . 2]" 1
458 1 16 ASN QD 1 19 LEU QD 3.040 . 8.700 2.849 1.741 4.453 0.149 4 0 "[ . 1 . 2]" 1
459 1 25 VAL MG2 1 26 CYS QB 3.290 . 4.570 3.368 2.674 3.951 . 0 0 "[ . 1 . 2]" 1
460 1 46 CYS HB2 1 53 LEU QD 2.700 . 7.110 2.823 1.888 4.168 0.102 9 0 "[ . 1 . 2]" 1
461 1 24 ASN QB 1 25 VAL MG2 2.700 . 5.400 4.617 4.427 4.690 . 0 0 "[ . 1 . 2]" 1
462 1 34 CYS H 1 62 LEU QD 4.100 . 10.500 7.857 7.816 7.961 . 0 0 "[ . 1 . 2]" 1
463 1 62 LEU QD 1 63 PHE H 3.690 . 9.890 3.772 2.956 4.584 . 0 0 "[ . 1 . 2]" 1
464 1 21 LEU HB2 1 62 LEU QD 2.700 2.090 8.110 2.886 2.061 5.327 0.029 8 0 "[ . 1 . 2]" 1
465 1 38 LEU QD 1 39 PHE QD 3.490 . 10.510 2.219 1.790 3.470 0.180 2 0 "[ . 1 . 2]" 1
466 1 38 LEU QD 1 39 PHE QE 3.010 . 9.640 2.413 1.779 3.171 0.101 2 0 "[ . 1 . 2]" 1
467 1 38 LEU QD 1 39 PHE HZ 3.700 . 9.910 3.817 2.613 4.366 . 0 0 "[ . 1 . 2]" 1
468 1 8 ARG QD 1 38 LEU QD 2.740 . 9.180 1.852 1.583 3.259 0.217 13 0 "[ . 1 . 2]" 1
469 1 35 VAL HA 1 38 LEU QD 3.120 . 8.840 4.034 3.768 4.262 . 0 0 "[ . 1 . 2]" 1
470 1 34 CYS QB 1 38 LEU QD 2.700 . 8.110 3.194 2.313 4.040 . 0 0 "[ . 1 . 2]" 1
471 1 8 ARG QB 1 38 LEU QD 2.810 . 8.300 3.271 2.740 4.053 . 0 0 "[ . 1 . 2]" 1
472 1 21 LEU QD 1 31 CYS H 4.540 . 9.500 3.516 3.077 3.828 . 0 0 "[ . 1 . 2]" 1
473 1 6 CYS H 1 21 LEU QD 3.230 . 8.030 2.596 1.794 3.897 0.136 10 0 "[ . 1 . 2]" 1
474 1 5 GLY H 1 21 LEU QD 3.310 . 8.180 3.915 1.923 4.828 0.017 14 0 "[ . 1 . 2]" 1
475 1 16 ASN QD 1 21 LEU QD 3.030 . 8.680 6.316 6.278 6.360 . 0 0 "[ . 1 . 2]" 1
476 1 21 LEU QD 1 29 THR HB 2.970 . 7.570 4.609 3.823 5.464 . 0 0 "[ . 1 . 2]" 1
477 1 21 LEU QD 1 31 CYS QB 2.760 . 7.110 2.068 1.743 2.430 0.197 7 0 "[ . 1 . 2]" 1
478 1 13 LYS QE 1 21 LEU QD 3.650 . 10.820 2.947 2.093 4.085 . 0 0 "[ . 1 . 2]" 1
479 1 21 LEU QD 1 30 LEU H 3.960 . 9.420 4.152 3.425 4.701 . 0 0 "[ . 1 . 2]" 1
480 1 21 LEU QD 1 22 MET H 2.870 . 7.400 3.930 3.740 4.201 . 0 0 "[ . 1 . 2]" 1
481 1 53 LEU QD 1 58 PHE QD 3.370 . 9.290 3.991 3.252 4.863 . 0 0 "[ . 1 . 2]" 1
482 1 23 VAL MG2 1 29 THR HA 2.760 . 4.710 2.275 1.779 3.134 0.031 12 0 "[ . 1 . 2]" 1
483 1 5 GLY QA 1 21 LEU QD 2.720 . 8.140 2.436 1.607 4.352 0.193 8 0 "[ . 1 . 2]" 1
484 1 23 VAL MG2 1 59 ARG H 3.210 . 5.500 5.021 4.581 5.354 . 0 0 "[ . 1 . 2]" 1
485 1 23 VAL MG2 1 29 THR H 4.320 . 7.000 3.982 3.447 4.682 . 0 0 "[ . 1 . 2]" 1
486 1 23 VAL MG2 1 24 ASN H 2.900 . 4.950 3.518 2.888 3.916 . 0 0 "[ . 1 . 2]" 1
487 1 23 VAL MG2 1 27 GLY H 3.520 . 6.070 5.294 4.252 5.741 . 0 0 "[ . 1 . 2]" 1
488 1 26 CYS H 1 53 LEU QD 4.380 . 9.500 3.804 3.019 4.901 . 0 0 "[ . 1 . 2]" 1
489 1 53 LEU QD 1 58 PHE QE 2.700 . 8.110 2.930 1.762 4.100 0.198 1 0 "[ . 1 . 2]" 1
490 1 24 ASN QD 1 53 LEU QD 3.140 . 11.370 3.487 1.996 5.181 . 0 0 "[ . 1 . 2]" 1
491 1 46 CYS HB3 1 53 LEU QD 2.940 . 7.520 4.099 3.161 5.529 . 0 0 "[ . 1 . 2]" 1
492 1 24 ASN QB 1 53 LEU QD 2.700 2.010 8.110 2.442 1.685 3.073 0.325 14 0 "[ . 1 . 2]" 1
493 1 6 CYS HA 1 21 LEU QD 2.700 . 7.110 3.241 2.497 4.013 . 0 0 "[ . 1 . 2]" 1
494 1 19 LEU QD 1 32 GLU H 4.050 . 9.500 2.787 1.681 3.983 0.319 2 0 "[ . 1 . 2]" 1
495 1 16 ASN H 1 19 LEU QD 4.230 . 9.500 3.713 2.699 5.113 . 0 0 "[ . 1 . 2]" 1
496 1 15 ARG HE 1 19 LEU QD 4.140 . 9.500 5.764 5.077 6.606 . 0 0 "[ . 1 . 2]" 1
497 1 5 GLY QA 1 13 LYS QG 2.700 . 5.560 3.284 1.965 4.781 . 0 0 "[ . 1 . 2]" 1
498 1 13 LYS QG 1 14 TYR H 4.220 . 7.000 2.550 2.003 3.651 . 0 0 "[ . 1 . 2]" 1
499 1 30 LEU QD 1 31 CYS H 3.120 . 7.840 3.473 2.247 4.084 . 0 0 "[ . 1 . 2]" 1
500 1 21 LEU QD 1 32 GLU H 3.230 . 8.030 2.636 2.058 3.180 . 0 0 "[ . 1 . 2]" 1
501 1 30 LEU QD 1 31 CYS HA 2.700 . 7.110 5.093 4.497 5.417 . 0 0 "[ . 1 . 2]" 1
502 1 21 LEU QD 1 30 LEU HA 3.370 . 8.290 4.703 3.800 5.137 . 0 0 "[ . 1 . 2]" 1
503 1 7 PRO QD 1 21 LEU QD 3.270 . 9.110 3.542 2.687 4.116 . 0 0 "[ . 1 . 2]" 1
504 1 35 VAL MG1 1 39 PHE H 3.380 . 5.810 4.388 4.053 4.680 . 0 0 "[ . 1 . 2]" 1
505 1 35 VAL MG1 1 36 ASP H 2.740 . 4.680 2.805 1.792 3.327 0.008 16 0 "[ . 1 . 2]" 1
506 1 35 VAL MG1 1 37 LEU H 4.760 . 7.000 5.001 4.523 5.406 . 0 0 "[ . 1 . 2]" 1
507 1 35 VAL MG1 1 39 PHE QD 2.700 . 5.610 2.557 2.054 3.594 . 0 0 "[ . 1 . 2]" 1
508 1 35 VAL MG1 1 58 PHE QD 2.700 . 5.610 4.071 2.361 4.895 . 0 0 "[ . 1 . 2]" 1
509 1 35 VAL MG1 1 39 PHE QE 3.090 . 6.280 2.520 1.789 4.450 0.111 10 0 "[ . 1 . 2]" 1
510 1 35 VAL MG1 1 58 PHE QE 3.530 . 7.090 4.803 2.267 5.790 . 0 0 "[ . 1 . 2]" 1
511 1 24 ASN QD 1 35 VAL MG1 3.010 . 8.640 6.698 5.556 7.057 . 0 0 "[ . 1 . 2]" 1
512 1 35 VAL MG1 1 36 ASP HA 2.750 . 4.700 3.131 2.818 3.399 . 0 0 "[ . 1 . 2]" 1
513 1 35 VAL MG1 1 58 PHE QB 3.590 . 5.930 3.562 3.033 4.298 . 0 0 "[ . 1 . 2]" 1
514 1 30 LEU QD 1 34 CYS H 3.550 . 8.630 4.248 3.796 5.053 . 0 0 "[ . 1 . 2]" 1
515 1 22 MET H 1 30 LEU QD 3.800 . 9.100 4.335 3.261 4.920 . 0 0 "[ . 1 . 2]" 1
516 1 32 GLU H 1 35 VAL MG2 4.120 . 7.000 5.929 5.375 6.368 . 0 0 "[ . 1 . 2]" 1
517 1 35 VAL MG2 1 36 ASP H 3.260 . 5.590 4.186 3.878 4.354 . 0 0 "[ . 1 . 2]" 1
518 1 35 VAL MG2 1 58 PHE QD 2.840 . 5.850 2.675 2.177 2.998 . 0 0 "[ . 1 . 2]" 1
519 1 35 VAL MG2 1 39 PHE QE 3.440 . 6.920 1.944 1.718 3.013 0.242 17 0 "[ . 1 . 2]" 1
520 1 35 VAL MG2 1 58 PHE QE 2.940 . 6.020 3.643 2.786 4.011 . 0 0 "[ . 1 . 2]" 1
521 1 24 ASN QD 1 35 VAL MG2 3.190 . 8.960 4.606 3.427 5.254 . 0 0 "[ . 1 . 2]" 1
522 1 22 MET QB 1 30 LEU QD 2.970 . 8.570 3.667 2.593 4.946 . 0 0 "[ . 1 . 2]" 1
523 1 24 ASN HA 1 58 PHE HA 2.200 . 2.930 3.137 2.271 4.041 1.111 11 6 "[ * . *+* - * 2]" 1
524 1 21 LEU HB3 1 22 MET HA 3.050 . 4.210 4.599 4.349 4.810 0.600 11 4 "[ . * 1+ -* 2]" 1
525 1 22 MET HA 1 61 GLN QG 3.250 . 5.570 3.814 3.129 4.524 . 0 0 "[ . 1 . 2]" 1
526 1 58 PHE HA 1 59 ARG QG 3.230 . 5.530 3.470 3.226 3.644 . 0 0 "[ . 1 . 2]" 1
527 1 2 ASP QB 1 14 TYR QE 3.780 . 6.570 4.600 3.144 7.396 0.826 7 1 "[ . + 1 . 2]" 1
528 1 41 ARG HA 1 42 GLY H 3.140 . 4.370 3.453 3.130 3.592 . 0 0 "[ . 1 . 2]" 1
529 1 49 CYS HB3 1 50 GLY H 4.680 . 6.000 4.367 4.212 4.667 . 0 0 "[ . 1 . 2]" 1
530 1 8 ARG HA 1 10 LYS H 3.370 . 4.790 4.357 4.048 4.785 . 0 0 "[ . 1 . 2]" 1
531 1 28 HIS QB 1 29 THR HB 3.060 . 4.230 3.726 3.389 4.332 0.102 11 0 "[ . 1 . 2]" 1
532 1 34 CYS HA 1 37 LEU HB3 4.330 . 6.000 4.473 2.896 5.501 . 0 0 "[ . 1 . 2]" 1
533 1 64 GLU QG 1 65 ASP H 3.790 . 6.590 3.746 2.094 4.667 . 0 0 "[ . 1 . 2]" 1
534 1 24 ASN H 1 59 ARG QG 2.800 . 5.780 4.310 3.835 4.769 . 0 0 "[ . 1 . 2]" 1
535 1 59 ARG QG 1 60 VAL H 3.520 . 6.070 4.453 4.225 4.787 . 0 0 "[ . 1 . 2]" 1
536 1 59 ARG HB3 1 60 VAL H 2.700 . 4.180 4.333 4.177 4.476 0.296 16 0 "[ . 1 . 2]" 1
537 1 22 MET H 1 29 THR MG 2.990 . 5.110 4.196 2.747 4.923 . 0 0 "[ . 1 . 2]" 1
538 1 30 LEU HG 1 35 VAL H 2.700 . 3.430 2.509 2.187 2.957 . 0 0 "[ . 1 . 2]" 1
539 1 41 ARG HB2 1 42 GLY H 5.000 . 6.000 2.939 1.864 3.852 0.016 13 0 "[ . 1 . 2]" 1
540 1 24 ASN HA 1 59 ARG QG 2.700 . 4.550 3.375 2.863 3.828 . 0 0 "[ . 1 . 2]" 1
541 1 30 LEU QB 1 35 VAL H 3.020 . 4.160 3.770 2.817 4.366 0.206 18 0 "[ . 1 . 2]" 1
542 1 28 HIS HA 1 29 THR H 2.700 2.090 3.310 3.338 2.796 3.511 0.201 12 0 "[ . 1 . 2]" 1
543 1 23 VAL MG1 1 59 ARG H 4.680 . 7.000 4.164 3.663 4.874 . 0 0 "[ . 1 . 2]" 1
544 1 30 LEU HG 1 34 CYS H 3.420 . 4.880 3.978 3.724 4.795 . 0 0 "[ . 1 . 2]" 1
545 1 59 ARG H 1 60 VAL H 4.710 . 6.000 4.232 4.049 4.388 . 0 0 "[ . 1 . 2]" 1
546 1 14 TYR QB 1 15 ARG H 2.700 2.090 4.310 2.366 2.214 2.587 . 0 0 "[ . 1 . 2]" 1
547 1 22 MET QG 1 35 VAL MG1 4.880 . 8.000 4.259 3.713 4.983 . 0 0 "[ . 1 . 2]" 1
548 1 31 CYS HA 1 32 GLU QB 4.350 . 7.000 4.452 4.165 4.951 . 0 0 "[ . 1 . 2]" 1
549 1 31 CYS HA 1 32 GLU QG 4.940 . 7.000 4.990 3.886 5.936 . 0 0 "[ . 1 . 2]" 1
550 1 23 VAL H 1 29 THR MG 5.000 . 7.000 5.961 4.749 6.700 . 0 0 "[ . 1 . 2]" 1
551 1 23 VAL H 1 59 ARG HB3 4.320 . 6.000 4.682 4.227 5.047 . 0 0 "[ . 1 . 2]" 1
552 1 55 LYS H 1 57 ASN QB 3.570 . 5.160 4.566 3.291 5.730 0.570 13 1 "[ . 1 + . 2]" 1
553 1 7 PRO HB2 1 8 ARG H 2.700 . 3.560 3.281 2.277 4.025 0.465 12 0 "[ . 1 . 2]" 1
554 1 20 LYS H 1 31 CYS HA 3.410 . 4.870 4.932 4.029 5.440 0.570 17 4 "[ *. * -1 . + 2]" 1
555 1 35 VAL MG1 1 58 PHE H 5.000 . 7.000 5.480 4.685 6.615 . 0 0 "[ . 1 . 2]" 1
556 1 23 VAL H 1 61 GLN QB 3.660 . 5.840 5.948 5.260 6.404 0.564 15 2 "[ . 1 + - 2]" 1
557 1 19 LEU HG 1 31 CYS QB 3.120 . 5.340 4.671 3.976 4.938 . 0 0 "[ . 1 . 2]" 1
558 1 22 MET H 1 32 GLU H 3.590 . 5.200 4.827 4.003 5.671 0.471 16 0 "[ . 1 . 2]" 1
559 1 3 ASP QB 1 4 GLN H 2.910 . 4.970 2.477 1.847 4.047 0.003 18 0 "[ . 1 . 2]" 1
560 1 4 GLN HB2 1 5 GLY H 2.900 . 3.950 3.968 2.903 4.652 0.702 15 6 "[ . ** 1 * + - *]" 1
561 1 17 PRO HA 1 18 SER H 2.810 . 3.800 3.410 2.684 3.605 . 0 0 "[ . 1 . 2]" 1
562 1 38 LEU QB 1 39 PHE H 2.700 2.090 4.300 2.248 1.902 2.458 0.188 8 0 "[ . 1 . 2]" 1
563 1 35 VAL MG1 1 39 PHE HZ 4.960 . 7.000 4.344 3.650 6.215 . 0 0 "[ . 1 . 2]" 1
564 1 35 VAL MG2 1 39 PHE HZ 5.000 . 7.000 2.413 1.791 4.386 0.089 14 0 "[ . 1 . 2]" 1
565 1 10 LYS QB 1 11 THR H 2.700 2.090 3.600 3.898 3.422 4.047 0.447 10 0 "[ . 1 . 2]" 1
566 1 10 LYS HA 1 11 THR H 2.700 . 3.500 2.411 2.187 3.609 0.109 15 0 "[ . 1 . 2]" 1
567 1 10 LYS H 1 11 THR H 2.700 2.090 4.310 4.105 3.459 4.398 0.088 14 0 "[ . 1 . 2]" 1
568 1 26 CYS QB 1 27 GLY H . . 3.520 3.459 1.839 3.972 0.452 14 0 "[ . 1 . 2]" 1
569 1 25 VAL HA 1 57 ASN QD 2.700 2.090 5.300 4.276 3.370 5.462 0.162 2 0 "[ . 1 . 2]" 1
570 1 56 SER QB 1 57 ASN QD 3.840 . 8.680 6.062 4.802 6.774 . 0 0 "[ . 1 . 2]" 1
571 1 55 LYS QG 1 57 ASN QD 5.000 . 9.000 5.352 2.515 7.202 . 0 0 "[ . 1 . 2]" 1
572 1 24 ASN QD 1 59 ARG QG 3.800 . 10.100 5.061 2.074 6.523 . 0 0 "[ . 1 . 2]" 1
573 1 57 ASN QD 1 59 ARG QG 3.090 . 7.280 5.536 5.147 5.698 . 0 0 "[ . 1 . 2]" 1
574 1 35 VAL MG2 1 39 PHE QD 3.090 . 6.280 3.549 2.389 3.855 . 0 0 "[ . 1 . 2]" 1
575 1 39 PHE QE 1 53 LEU QD 2.840 . 8.350 3.626 1.830 5.468 . 0 0 "[ . 1 . 2]" 1
576 1 39 PHE HZ 1 53 LEU QD 2.700 . 7.110 4.356 2.717 5.745 . 0 0 "[ . 1 . 2]" 1
577 1 5 GLY H 1 13 LYS QG 4.460 . 7.000 4.492 3.203 6.003 . 0 0 "[ . 1 . 2]" 1
578 1 21 LEU HG 1 30 LEU H 5.000 . 6.000 3.977 3.202 4.635 . 0 0 "[ . 1 . 2]" 1
579 1 22 MET QB 1 59 ARG H 4.230 . 7.000 3.088 2.425 3.596 . 0 0 "[ . 1 . 2]" 1
580 1 8 ARG QB 1 34 CYS H 5.000 . 6.000 4.745 4.336 5.204 . 0 0 "[ . 1 . 2]" 1
581 1 39 PHE H 1 40 VAL HB 4.660 . 6.000 6.033 5.875 6.161 0.161 18 0 "[ . 1 . 2]" 1
582 1 35 VAL HB 1 39 PHE QD 5.000 . 7.000 4.996 4.310 5.404 . 0 0 "[ . 1 . 2]" 1
583 1 13 LYS QB 1 14 TYR QE 5.000 . 7.000 7.618 6.494 8.131 1.131 9 14 "[* *** **+* * -** **]" 1
584 1 11 THR MG 1 16 ASN QD 2.880 . 5.920 4.624 2.065 5.093 . 0 0 "[ . 1 . 2]" 1
585 1 8 ARG QG 1 37 LEU H 2.700 2.040 5.360 5.522 5.072 5.712 0.352 7 0 "[ . 1 . 2]" 1
586 1 8 ARG QB 1 37 LEU H 5.000 . 6.000 5.492 5.154 5.819 . 0 0 "[ . 1 . 2]" 1
587 1 22 MET HA 1 60 VAL H 5.000 . 6.000 3.793 3.414 4.081 . 0 0 "[ . 1 . 2]" 1
588 1 31 CYS HA 1 35 VAL H 5.000 . 6.000 5.381 4.718 5.761 . 0 0 "[ . 1 . 2]" 1
589 1 2 ASP HA 1 14 TYR QD 5.000 . 7.000 4.643 2.614 6.689 . 0 0 "[ . 1 . 2]" 1
590 1 56 SER HA 1 57 ASN QD 4.450 . 8.000 5.150 3.787 6.090 . 0 0 "[ . 1 . 2]" 1
591 1 2 ASP HA 1 13 LYS H 2.700 2.050 4.350 5.248 5.147 5.342 0.992 6 20 [*****+***********-**] 1
592 1 46 CYS H 1 51 THR HA 4.840 . 6.000 4.905 4.318 6.717 0.717 17 1 "[ . 1 . + 2]" 1
593 1 39 PHE HA 1 43 ALA H 3.210 . 4.500 2.001 1.854 2.462 0.066 5 0 "[ . 1 . 2]" 1
594 1 26 CYS HA 1 28 HIS H 5.000 . 6.000 5.753 4.456 6.385 0.385 9 0 "[ . 1 . 2]" 1
595 1 49 CYS HB2 1 51 THR H 4.030 . 6.000 4.871 3.952 6.239 0.239 2 0 "[ . 1 . 2]" 1
596 1 6 CYS QB 1 10 LYS H 2.700 . 4.530 4.237 3.908 4.692 0.162 15 0 "[ . 1 . 2]" 1
597 1 36 ASP QB 1 39 PHE H 4.920 . 6.000 5.493 4.957 6.046 0.046 3 0 "[ . 1 . 2]" 1
598 1 49 CYS HB3 1 51 THR H 5.000 . 6.000 5.237 4.307 6.288 0.288 2 0 "[ . 1 . 2]" 1
599 1 26 CYS QB 1 51 THR H 4.940 . 6.000 5.469 4.195 6.886 0.886 14 2 "[ . 1 +- 2]" 1
600 1 43 ALA HA 1 56 SER HA 2.700 . 3.490 4.338 3.825 4.526 1.036 18 19 "[************* ***+-*]" 1
601 1 43 ALA HA 1 56 SER H 3.440 . 4.920 5.049 3.565 5.830 0.910 14 7 "[ *. *1* +-* *2]" 1
602 1 54 ARG HA 1 55 LYS H 2.700 . 3.610 3.235 2.642 3.595 . 0 0 "[ . 1 . 2]" 1
603 1 55 LYS QB 1 57 ASN QD 4.180 . 9.000 6.237 4.248 7.298 . 0 0 "[ . 1 . 2]" 1
604 1 55 LYS QE 1 57 ASN QD 4.110 . 9.000 4.601 1.744 7.186 0.246 13 0 "[ . 1 . 2]" 1
605 1 63 PHE QB 1 65 ASP H 4.100 . 6.000 5.013 3.115 6.998 0.998 13 3 "[ .* 1 + . - 2]" 1
606 1 31 CYS HA 1 34 CYS H 4.020 . 6.000 4.429 4.183 4.638 . 0 0 "[ . 1 . 2]" 1
607 1 8 ARG H 1 10 LYS H 3.010 . 4.140 4.267 3.554 4.974 0.834 14 3 "[ . 1 +* - 2]" 1
608 1 57 ASN H 1 58 PHE H 3.110 . 4.320 3.823 2.457 4.399 0.079 12 0 "[ . 1 . 2]" 1
609 1 57 ASN QD 1 58 PHE QD 3.400 . 7.850 4.638 3.396 6.174 . 0 0 "[ . 1 . 2]" 1
610 1 36 ASP H 1 39 PHE H 5.000 . 6.000 4.874 4.622 5.287 . 0 0 "[ . 1 . 2]" 1
611 1 8 ARG H 1 9 CYS H 2.700 2.040 3.360 2.783 2.389 3.107 . 0 0 "[ . 1 . 2]" 1
612 1 34 CYS H 1 36 ASP H 3.960 . 5.920 3.764 3.405 4.310 . 0 0 "[ . 1 . 2]" 1
613 1 39 PHE HZ 1 44 GLY H 5.000 . 6.000 5.611 4.840 6.518 0.518 2 1 "[ + . 1 . 2]" 1
614 1 57 ASN QD 1 58 PHE H 4.310 . 8.000 5.049 4.255 5.753 . 0 0 "[ . 1 . 2]" 1
615 1 24 ASN QD 1 39 PHE HZ 4.630 . 9.500 4.370 2.480 6.610 . 0 0 "[ . 1 . 2]" 1
616 1 24 ASN QD 1 39 PHE QD 3.870 . 10.240 6.727 5.283 8.568 . 0 0 "[ . 1 . 2]" 1
617 1 24 ASN H 1 26 CYS H 4.750 . 6.000 5.064 3.849 5.559 . 0 0 "[ . 1 . 2]" 1
618 1 24 ASN QD 1 57 ASN QD 3.710 . 10.930 4.077 1.842 5.637 0.148 19 0 "[ . 1 . 2]" 1
619 1 23 VAL HA 1 24 ASN QD 4.700 . 9.500 3.774 2.560 5.687 . 0 0 "[ . 1 . 2]" 1
620 1 22 MET HA 1 61 GLN QB 3.790 . 5.590 5.080 4.862 5.375 . 0 0 "[ . 1 . 2]" 1
621 1 40 VAL HA 1 42 GLY H 4.310 . 6.000 4.421 3.392 5.479 . 0 0 "[ . 1 . 2]" 1
622 1 34 CYS HA 1 36 ASP H 4.000 . 6.000 4.026 3.586 5.118 . 0 0 "[ . 1 . 2]" 1
623 1 53 LEU HA 1 54 ARG H 5.000 . 6.000 2.788 2.213 3.580 . 0 0 "[ . 1 . 2]" 1
624 1 39 PHE H 1 40 VAL H 2.700 2.090 3.310 2.512 2.451 2.571 . 0 0 "[ . 1 . 2]" 1
625 1 40 VAL H 1 42 GLY H 5.000 . 6.000 4.374 4.101 5.070 . 0 0 "[ . 1 . 2]" 1
626 1 37 LEU H 1 39 PHE H 2.700 2.040 4.360 4.513 4.339 4.812 0.452 8 0 "[ . 1 . 2]" 1
627 1 38 LEU H 1 40 VAL H 2.700 2.090 4.510 4.239 4.186 4.308 . 0 0 "[ . 1 . 2]" 1
628 1 35 VAL HA 1 39 PHE H 2.720 . 3.640 3.733 3.213 4.157 0.517 10 1 "[ . + . 2]" 1
629 1 40 VAL HA 1 43 ALA H 5.000 . 6.000 5.363 4.330 6.005 0.005 1 0 "[ . 1 . 2]" 1
630 1 37 LEU HA 1 40 VAL HB 2.700 2.020 4.080 4.228 4.156 4.319 0.239 1 0 "[ . 1 . 2]" 1
631 1 8 ARG QG 1 34 CYS HA 2.780 . 4.750 3.845 3.244 4.318 . 0 0 "[ . 1 . 2]" 1
632 1 16 ASN QB 1 17 PRO QD 3.670 . 6.350 3.439 3.121 3.724 . 0 0 "[ . 1 . 2]" 1
633 1 19 LEU QD 1 21 LEU H 4.780 . 9.500 4.134 2.951 5.235 . 0 0 "[ . 1 . 2]" 1
634 1 44 GLY H 1 53 LEU QD 5.000 . 9.500 3.995 3.197 5.899 . 0 0 "[ . 1 . 2]" 1
635 1 6 CYS H 1 29 THR MG 5.000 . 6.000 4.613 2.781 5.871 . 0 0 "[ . 1 . 2]" 1
636 1 30 LEU QD 1 35 VAL H 5.000 . 9.500 2.902 2.008 3.479 . 0 0 "[ . 1 . 2]" 1
637 1 26 CYS QB 1 28 HIS HE1 4.940 . 6.000 3.553 3.052 4.224 . 0 0 "[ . 1 . 2]" 1
638 1 28 HIS HE1 1 49 CYS HB2 2.700 . 5.430 3.012 2.710 3.410 . 0 0 "[ . 1 . 2]" 1
639 1 32 GLU H 1 35 VAL HB 5.000 . 6.000 5.597 4.867 6.035 0.035 19 0 "[ . 1 . 2]" 1
640 1 23 VAL HB 1 28 HIS H 5.000 . 6.000 5.480 4.459 7.501 1.501 15 5 "[ .- 1* *+ * 2]" 1
641 1 36 ASP H 1 38 LEU QB 4.650 . 7.000 4.287 4.011 4.650 . 0 0 "[ . 1 . 2]" 1
642 1 4 GLN H 1 13 LYS QD 5.000 . 8.000 6.288 4.849 7.502 . 0 0 "[ . 1 . 2]" 1
643 1 28 HIS HE1 1 48 GLU QB 3.940 . 5.880 5.043 3.776 5.936 0.056 14 0 "[ . 1 . 2]" 1
644 1 28 HIS HE1 1 48 GLU QG 3.950 . 6.900 3.661 2.757 4.858 . 0 0 "[ . 1 . 2]" 1
645 1 31 CYS H 1 34 CYS HA 5.000 . 6.000 5.290 4.558 5.858 . 0 0 "[ . 1 . 2]" 1
646 1 22 MET H 1 32 GLU HA 5.000 . 6.000 4.806 4.111 5.966 . 0 0 "[ . 1 . 2]" 1
647 1 22 MET H 1 31 CYS QB 4.470 . 6.000 4.975 4.648 5.707 . 0 0 "[ . 1 . 2]" 1
648 1 35 VAL H 1 36 ASP QB 4.470 . 6.000 4.763 4.400 5.569 . 0 0 "[ . 1 . 2]" 1
649 1 24 ASN H 1 25 VAL HA 5.000 . 6.000 5.654 5.433 5.953 . 0 0 "[ . 1 . 2]" 1
650 1 47 PRO QD 1 58 PHE HZ 4.390 . 7.000 4.946 3.087 7.761 0.761 6 4 "[ - .+ * 1 * . 2]" 1
651 1 56 SER QB 1 58 PHE HZ 5.000 . 7.000 4.489 1.769 6.601 0.111 8 0 "[ . 1 . 2]" 1
652 1 24 ASN QB 1 58 PHE HZ 5.000 . 7.000 4.985 3.575 8.241 1.241 3 1 "[ + . 1 . 2]" 1
653 1 8 ARG QD 1 9 CYS H 4.970 . 7.000 4.583 4.178 4.961 . 0 0 "[ . 1 . 2]" 1
654 1 6 CYS QB 1 12 THR HA 3.890 . 5.580 5.046 4.364 5.506 . 0 0 "[ . 1 . 2]" 1
655 1 45 ASN HA 1 46 CYS HB2 3.780 . 5.570 4.425 3.953 4.714 . 0 0 "[ . 1 . 2]" 1
656 1 7 PRO QG 1 30 LEU HA 4.290 . 7.000 3.322 2.577 3.824 . 0 0 "[ . 1 . 2]" 1
657 1 35 VAL HB 1 36 ASP HA 4.780 . 6.000 5.030 4.659 5.269 . 0 0 "[ . 1 . 2]" 1
658 1 35 VAL HA 1 36 ASP HA 4.960 . 6.000 4.802 4.725 4.914 . 0 0 "[ . 1 . 2]" 1
659 1 32 GLU HA 1 35 VAL HA 4.100 . 6.000 6.108 5.565 6.470 0.470 3 0 "[ . 1 . 2]" 1
660 1 8 ARG QB 1 34 CYS QB 4.160 . 6.000 3.093 2.733 3.245 . 0 0 "[ . 1 . 2]" 1
661 1 35 VAL HB 1 36 ASP QB 5.000 . 6.000 4.588 4.057 5.317 . 0 0 "[ . 1 . 2]" 1
662 1 8 ARG QG 1 34 CYS QB 5.000 . 7.000 4.571 4.220 4.745 . 0 0 "[ . 1 . 2]" 1
663 1 30 LEU QD 1 34 CYS QB 4.320 . 9.500 1.972 1.671 2.722 0.319 14 0 "[ . 1 . 2]" 1
664 1 32 GLU QG 1 35 VAL MG2 4.620 . 8.000 6.346 5.619 6.786 . 0 0 "[ . 1 . 2]" 1
665 1 8 ARG QB 1 30 LEU HG 2.700 2.030 4.370 4.733 4.350 4.900 0.530 13 7 "[* *. *1 + . ** -]" 1
666 1 34 CYS HA 1 38 LEU QB 2.700 . 4.450 3.568 2.769 4.285 . 0 0 "[ . 1 . 2]" 1
667 1 22 MET QG 1 30 LEU QD 5.000 . 10.500 3.672 1.805 4.774 0.075 16 0 "[ . 1 . 2]" 1
668 1 22 MET QG 1 30 LEU HG 2.860 . 4.890 4.326 3.548 5.075 0.185 6 0 "[ . 1 . 2]" 1
669 1 25 VAL MG1 1 26 CYS QB 4.440 . 7.000 3.376 2.862 3.970 . 0 0 "[ . 1 . 2]" 1
670 1 28 HIS HE1 1 49 CYS HB3 2.700 2.090 4.300 2.145 1.883 2.693 0.207 16 0 "[ . 1 . 2]" 1
671 1 39 PHE QD 1 56 SER HA 4.430 . 7.000 3.717 2.635 4.800 . 0 0 "[ . 1 . 2]" 1
672 1 46 CYS HB3 1 51 THR MG 3.520 . 6.070 4.302 2.493 5.112 . 0 0 "[ . 1 . 2]" 1
673 1 12 THR HA 1 13 LYS QD 2.700 . 5.480 4.582 4.149 5.630 0.150 6 0 "[ . 1 . 2]" 1
674 1 31 CYS QB 1 32 GLU QB 4.040 . 7.000 4.625 4.233 4.939 . 0 0 "[ . 1 . 2]" 1
675 1 48 GLU QB 1 49 CYS HB3 3.680 . 5.370 4.057 3.237 4.401 . 0 0 "[ . 1 . 2]" 1
676 1 51 THR HB 1 52 PRO QD 3.960 . 6.920 3.640 1.934 4.289 0.066 2 0 "[ . 1 . 2]" 1
677 1 8 ARG QB 1 38 LEU HA 5.000 . 6.000 5.301 4.746 5.784 . 0 0 "[ . 1 . 2]" 1
678 1 20 LYS HA 1 21 LEU HB2 3.830 . 5.660 4.295 4.022 4.529 . 0 0 "[ . 1 . 2]" 1
679 1 23 VAL H 1 29 THR HA 5.000 . 6.000 4.724 3.994 5.517 . 0 0 "[ . 1 . 2]" 1
680 1 48 GLU H 1 50 GLY QA 5.000 . 7.000 4.532 4.025 5.217 . 0 0 "[ . 1 . 2]" 1
681 1 39 PHE QB 1 56 SER QB 3.780 . 6.570 3.434 2.612 5.098 . 0 0 "[ . 1 . 2]" 1
682 1 56 SER QB 1 58 PHE QB 4.380 . 7.000 5.018 3.749 6.505 . 0 0 "[ . 1 . 2]" 1
683 1 22 MET HA 1 58 PHE QB 4.220 . 6.000 4.434 4.163 4.712 . 0 0 "[ . 1 . 2]" 1
684 1 16 ASN HA 1 17 PRO QB 5.000 . 7.000 4.610 4.498 4.696 . 0 0 "[ . 1 . 2]" 1
685 1 16 ASN HA 1 17 PRO QG 3.240 . 5.560 3.828 3.686 3.924 . 0 0 "[ . 1 . 2]" 1
686 1 6 CYS HA 1 7 PRO QG 4.090 . 7.000 3.824 3.765 3.957 . 0 0 "[ . 1 . 2]" 1
687 1 13 LYS QB 1 17 PRO HA 3.640 . 4.660 4.939 4.790 5.154 0.494 6 0 "[ . 1 . 2]" 1
688 1 35 VAL MG2 1 39 PHE QB 5.000 . 7.000 4.954 4.255 5.348 . 0 0 "[ . 1 . 2]" 1
689 1 22 MET QG 1 58 PHE QB 4.160 . 7.000 3.136 2.312 3.641 . 0 0 "[ . 1 . 2]" 1
690 1 48 GLU QG 1 49 CYS HB3 3.580 . 6.180 2.806 2.079 4.051 . 0 0 "[ . 1 . 2]" 1
691 1 21 LEU HB3 1 29 THR HB 4.020 . 6.000 5.189 4.074 6.098 0.098 3 0 "[ . 1 . 2]" 1
692 1 12 THR MG 1 19 LEU HA 4.060 . 7.000 5.789 4.405 6.743 . 0 0 "[ . 1 . 2]" 1
693 1 25 VAL MG2 1 57 ASN QB 3.520 . 6.070 5.357 5.179 5.487 . 0 0 "[ . 1 . 2]" 1
694 1 51 THR MG 1 52 PRO HB3 5.000 . 7.000 4.916 4.363 6.258 . 0 0 "[ . 1 . 2]" 1
695 1 26 CYS HA 1 28 HIS HE1 4.530 . 6.000 6.008 5.365 6.352 0.352 6 0 "[ . 1 . 2]" 1
696 1 28 HIS HE1 1 49 CYS HA 3.180 . 5.450 4.678 4.402 5.224 . 0 0 "[ . 1 . 2]" 1
697 1 6 CYS QB 1 9 CYS H 2.840 2.040 4.550 4.172 4.079 4.331 . 0 0 "[ . 1 . 2]" 1
698 1 7 PRO HA 1 8 ARG H 2.700 . 3.400 3.533 3.300 3.619 0.219 15 0 "[ . 1 . 2]" 1
699 1 8 ARG QB 1 34 CYS HA 2.700 2.090 3.310 2.775 2.208 3.187 . 0 0 "[ . 1 . 2]" 1
700 1 9 CYS H 1 34 CYS HA 5.000 . 6.000 3.883 3.744 4.181 . 0 0 "[ . 1 . 2]" 1
701 1 9 CYS HB3 1 33 SER QB 3.710 . 5.430 3.477 3.144 4.235 . 0 0 "[ . 1 . 2]" 1
702 1 12 THR HA 1 14 TYR H 2.700 . 4.500 4.284 4.050 4.805 0.305 15 0 "[ . 1 . 2]" 1
703 1 11 THR HA 1 15 ARG H 2.970 . 4.070 3.576 3.152 4.141 0.071 14 0 "[ . 1 . 2]" 1
704 1 11 THR HA 1 15 ARG QB 2.700 2.030 3.370 3.344 1.801 4.559 1.189 6 5 "[-* .+ 1 *.* 2]" 1
705 1 13 LYS HA 1 15 ARG H 3.360 . 4.780 4.591 3.989 5.068 0.288 6 0 "[ . 1 . 2]" 1
706 1 16 ASN QB 1 18 SER H 5.000 . 6.000 3.819 2.767 4.955 . 0 0 "[ . 1 . 2]" 1
707 1 17 PRO HA 1 19 LEU H 2.700 . 3.570 4.243 3.804 4.480 0.910 1 13 "[+******* - ** **2]" 1
708 1 20 LYS H 1 32 GLU HA 2.880 . 3.920 4.645 3.706 5.102 1.182 20 15 "[ -************. * +]" 1
709 1 22 MET H 1 60 VAL HB 2.700 . 3.540 4.224 3.595 4.428 0.888 6 15 "[-****+***1 ***. ** *]" 1
710 1 22 MET H 1 30 LEU HA 5.000 . 6.000 4.464 3.931 4.862 . 0 0 "[ . 1 . 2]" 1
711 1 22 MET H 1 30 LEU QB 2.700 . 4.600 3.098 2.194 3.706 . 0 0 "[ . 1 . 2]" 1
712 1 22 MET HA 1 60 VAL HB 2.700 2.080 3.320 3.575 3.351 3.773 0.453 8 0 "[ . 1 . 2]" 1
713 1 22 MET QB 1 58 PHE QB 2.850 . 4.860 1.879 1.749 2.187 0.241 10 0 "[ . 1 . 2]" 1
714 1 22 MET H 1 58 PHE QB 3.080 . 5.470 4.348 4.028 4.620 . 0 0 "[ . 1 . 2]" 1
715 1 22 MET QB 1 60 VAL H 2.700 2.090 4.310 2.506 2.397 2.648 . 0 0 "[ . 1 . 2]" 1
716 1 23 VAL H 1 30 LEU H 5.000 . 6.000 4.758 4.336 5.081 . 0 0 "[ . 1 . 2]" 1
717 1 23 VAL H 1 60 VAL HB 2.700 . 4.510 5.291 5.042 5.406 0.896 2 20 [*+-*****************] 1
718 1 23 VAL H 1 60 VAL H 5.000 . 6.000 4.656 4.276 4.934 . 0 0 "[ . 1 . 2]" 1
719 1 24 ASN HA 1 26 CYS H 5.000 . 6.000 5.101 4.106 5.982 . 0 0 "[ . 1 . 2]" 1
720 1 22 MET QB 1 30 LEU H 5.000 . 7.000 4.209 3.144 4.807 . 0 0 "[ . 1 . 2]" 1
721 1 31 CYS QB 1 33 SER QB 4.430 . 6.000 3.990 3.849 4.135 . 0 0 "[ . 1 . 2]" 1
722 1 31 CYS HA 1 34 CYS QB 5.000 . 6.000 4.190 3.701 4.524 . 0 0 "[ . 1 . 2]" 1
723 1 36 ASP HA 1 40 VAL HB 3.520 . 5.070 5.903 5.624 6.011 0.941 19 20 [*********-********+*] 1
724 1 38 LEU H 1 39 PHE H 2.700 2.040 4.360 2.911 2.646 3.199 . 0 0 "[ . 1 . 2]" 1
725 1 39 PHE HA 1 40 VAL H 2.700 2.030 3.370 3.570 3.517 3.596 0.226 13 0 "[ . 1 . 2]" 1
726 1 39 PHE QB 1 40 VAL H 2.700 2.090 3.310 2.666 2.198 3.003 . 0 0 "[ . 1 . 2]" 1
727 1 39 PHE HA 1 44 GLY H 5.000 . 6.000 4.004 2.964 5.212 . 0 0 "[ . 1 . 2]" 1
728 1 39 PHE HA 1 43 ALA HA 5.000 . 6.000 1.966 1.813 2.822 0.067 2 0 "[ . 1 . 2]" 1
729 1 41 ARG HA 1 43 ALA H 5.000 . 6.000 5.220 4.306 5.675 . 0 0 "[ . 1 . 2]" 1
730 1 44 GLY H 1 53 LEU QB 5.000 . 5.650 3.595 2.773 4.641 . 0 0 "[ . 1 . 2]" 1
731 1 48 GLU QB 1 49 CYS HA 4.330 . 6.000 4.559 3.896 4.849 . 0 0 "[ . 1 . 2]" 1
732 1 49 CYS HB2 1 50 GLY H 5.000 . 6.000 4.529 3.877 4.654 . 0 0 "[ . 1 . 2]" 1
733 1 52 PRO HA 1 53 LEU H 4.270 . 6.000 2.467 2.306 2.647 . 0 0 "[ . 1 . 2]" 1
734 1 53 LEU QB 1 55 LYS H 2.700 . 3.500 3.064 2.293 4.167 0.667 14 2 "[ . 1 +- 2]" 1
735 1 55 LYS HA 1 56 SER H 2.700 . 3.470 2.944 2.243 3.546 0.076 9 0 "[ . 1 . 2]" 1
736 1 55 LYS H 1 56 SER HA 2.860 . 3.880 4.340 3.938 4.801 0.921 16 9 "[* ** - 1* **+ *]" 1
737 1 56 SER HA 1 57 ASN H 3.140 . 4.370 2.697 2.228 3.588 . 0 0 "[ . 1 . 2]" 1
738 1 12 THR HB 1 16 ASN QD 5.000 . 7.000 4.337 2.975 5.068 . 0 0 "[ . 1 . 2]" 1
739 1 4 GLN H 1 4 GLN HB3 3.400 . 3.700 2.909 2.307 3.808 0.108 19 0 "[ . 1 . 2]" 1
740 1 4 GLN H 1 4 GLN HB2 2.700 . 3.000 2.567 1.981 3.215 0.215 9 0 "[ . 1 . 2]" 1
741 1 6 CYS H 1 6 CYS QB . . 3.000 2.193 2.061 2.662 . 0 0 "[ . 1 . 2]" 1
742 1 8 ARG H 1 8 ARG QB . . 3.100 2.165 1.989 2.431 . 0 0 "[ . 1 . 2]" 1
743 1 9 CYS H 1 9 CYS HB3 3.800 . 4.100 3.391 2.762 3.569 . 0 0 "[ . 1 . 2]" 1
744 1 9 CYS H 1 9 CYS HB2 2.800 . 3.100 3.433 3.360 3.830 0.730 15 2 "[ . 1 -+ 2]" 1
745 1 10 LYS H 1 10 LYS QB . . 3.100 2.164 1.950 2.370 . 0 0 "[ . 1 . 2]" 1
746 1 11 THR H 1 11 THR HB 2.700 . 3.000 3.184 2.741 3.539 0.539 9 1 "[ . +1 . 2]" 1
747 1 12 THR H 1 12 THR HB 2.700 . 3.000 3.189 2.021 3.690 0.690 17 7 "[ .- ** ** . + *2]" 1
748 1 13 LYS H 1 13 LYS QB . . 3.100 2.107 1.926 2.919 . 0 0 "[ . 1 . 2]" 1
749 1 15 ARG H 1 15 ARG QB 2.700 . 3.000 2.077 1.888 2.566 . 0 0 "[ . 1 . 2]" 1
750 1 16 ASN H 1 16 ASN QB 2.700 . 3.000 1.943 1.846 2.351 . 0 0 "[ . 1 . 2]" 1
751 1 21 LEU H 1 21 LEU HB2 2.700 . 3.000 2.273 2.096 2.562 . 0 0 "[ . 1 . 2]" 1
752 1 21 LEU H 1 21 LEU HB3 3.800 . 4.100 3.527 3.352 3.589 . 0 0 "[ . 1 . 2]" 1
753 1 23 VAL H 1 23 VAL HB 2.800 . 3.100 2.282 2.080 2.545 . 0 0 "[ . 1 . 2]" 1
754 1 25 VAL HA 1 25 VAL HB 2.800 . 3.100 2.353 2.305 2.440 . 0 0 "[ . 1 . 2]" 1
755 1 25 VAL H 1 25 VAL HB 3.800 . 4.100 2.661 2.495 3.007 . 0 0 "[ . 1 . 2]" 1
756 1 26 CYS H 1 26 CYS QB . . 3.100 2.556 2.239 3.195 0.095 16 0 "[ . 1 . 2]" 1
757 1 28 HIS H 1 28 HIS QB 2.700 . 3.000 2.539 2.035 3.174 0.174 14 0 "[ . 1 . 2]" 1
758 1 29 THR H 1 29 THR HB 2.800 . 3.100 2.920 2.817 3.055 . 0 0 "[ . 1 . 2]" 1
759 1 31 CYS H 1 31 CYS QB . . 3.100 1.991 1.854 2.247 . 0 0 "[ . 1 . 2]" 1
760 1 33 SER H 1 33 SER QB . . 3.000 2.346 2.072 2.650 . 0 0 "[ . 1 . 2]" 1
761 1 34 CYS H 1 34 CYS QB . . 3.000 2.196 2.144 2.264 . 0 0 "[ . 1 . 2]" 1
762 1 35 VAL H 1 35 VAL HB 2.700 . 3.000 2.063 1.948 2.285 . 0 0 "[ . 1 . 2]" 1
763 1 36 ASP H 1 36 ASP QB . . 3.100 2.215 1.966 2.997 . 0 0 "[ . 1 . 2]" 1
764 1 39 PHE H 1 39 PHE QB . . 3.000 2.469 2.294 2.606 . 0 0 "[ . 1 . 2]" 1
765 1 40 VAL H 1 40 VAL HB 2.700 . 3.500 3.577 3.542 3.639 0.139 2 0 "[ . 1 . 2]" 1
766 1 41 ARG H 1 41 ARG HB3 3.100 . 3.400 3.605 3.529 3.932 0.532 12 1 "[ . 1 + . 2]" 1
767 1 41 ARG H 1 41 ARG HB2 4.000 . 4.030 2.778 2.522 3.142 . 0 0 "[ . 1 . 2]" 1
768 1 45 ASN H 1 45 ASN QB 3.100 . 3.400 2.788 2.180 3.461 0.061 5 0 "[ . 1 . 2]" 1
769 1 46 CYS H 1 46 CYS HB2 3.400 . 3.700 2.263 1.974 2.853 . 0 0 "[ . 1 . 2]" 1
770 1 46 CYS H 1 46 CYS HB3 2.700 . 3.000 2.754 2.422 3.707 0.707 17 1 "[ . 1 . + 2]" 1
771 1 48 GLU H 1 48 GLU QB . . 3.100 2.916 2.515 3.182 0.082 11 0 "[ . 1 . 2]" 1
772 1 49 CYS H 1 49 CYS HB2 3.800 . 4.100 3.738 3.581 3.857 . 0 0 "[ . 1 . 2]" 1
773 1 49 CYS H 1 49 CYS HB3 2.800 . 3.100 2.616 2.342 2.811 . 0 0 "[ . 1 . 2]" 1
774 1 51 THR H 1 51 THR HB 2.800 . 3.100 2.521 1.974 3.618 0.518 2 1 "[ + . 1 . 2]" 1
775 1 57 ASN H 1 57 ASN QB . . 3.100 2.897 2.541 3.489 0.389 18 0 "[ . 1 . 2]" 1
776 1 58 PHE H 1 58 PHE QB 2.700 . 3.000 2.733 2.281 3.224 0.224 6 0 "[ . 1 . 2]" 1
777 1 59 ARG H 1 59 ARG HB2 3.400 . 3.700 3.495 3.344 3.597 . 0 0 "[ . 1 . 2]" 1
778 1 59 ARG H 1 59 ARG HB3 3.100 . 3.400 3.084 2.679 3.471 0.071 13 0 "[ . 1 . 2]" 1
779 1 60 VAL H 1 60 VAL HB 2.800 . 3.100 2.484 2.249 2.726 . 0 0 "[ . 1 . 2]" 1
780 1 61 GLN H 1 61 GLN QB . . 3.000 3.236 3.037 3.379 0.379 8 0 "[ . 1 . 2]" 1
781 1 62 LEU H 1 62 LEU QB . . 3.000 2.764 2.287 2.932 . 0 0 "[ . 1 . 2]" 1
782 1 63 PHE H 1 63 PHE QB 3.400 . 3.400 2.446 2.045 2.912 . 0 0 "[ . 1 . 2]" 1
783 1 28 HIS HA 1 28 HIS HD2 2.200 . 2.810 2.111 1.833 2.404 . 0 0 "[ . 1 . 2]" 1
784 1 28 HIS QB 1 28 HIS HD2 2.840 . 3.850 3.147 3.043 3.271 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 ZN 0.000 0.000 . 0 "[ . 1 . 2]"
3 1 ZN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 CYS SG 2 1 ZN ZN 2.400 . 2.600 2.281 2.268 2.293 . 0 0 "[ . 1 . 2]" 2
2 1 9 CYS SG 2 1 ZN ZN 2.400 . 2.600 2.312 2.305 2.322 . 0 0 "[ . 1 . 2]" 2
3 1 31 CYS SG 2 1 ZN ZN 2.400 . 2.600 2.294 2.286 2.306 . 0 0 "[ . 1 . 2]" 2
4 1 34 CYS SG 2 1 ZN ZN 2.400 . 2.600 2.291 2.281 2.302 . 0 0 "[ . 1 . 2]" 2
5 1 26 CYS SG 3 1 ZN ZN 2.400 . 2.600 2.299 2.288 2.306 . 0 0 "[ . 1 . 2]" 2
6 1 46 CYS SG 3 1 ZN ZN 2.400 . 2.600 2.294 2.288 2.304 . 0 0 "[ . 1 . 2]" 2
7 1 49 CYS SG 3 1 ZN ZN 2.400 . 2.600 2.300 2.295 2.308 . 0 0 "[ . 1 . 2]" 2
8 1 28 HIS ND1 3 1 ZN ZN 2.400 . 2.600 2.006 2.000 2.013 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 22
_Distance_constraint_stats_list.Viol_count 252
_Distance_constraint_stats_list.Viol_total 1815.107
_Distance_constraint_stats_list.Viol_max 0.977
_Distance_constraint_stats_list.Viol_rms 0.2967
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2063
_Distance_constraint_stats_list.Viol_average_violations_only 0.3601
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 20 LYS 8.660 0.934 18 7 "[ * .* * * .- +*2]"
1 21 LEU 31.383 0.977 3 20 [**+***************-*]
1 22 MET 4.538 0.806 5 3 "[ + * -1 . 2]"
1 23 VAL 4.776 0.810 16 2 "[ . 1 -+ 2]"
1 30 LEU 4.538 0.806 5 3 "[ + * -1 . 2]"
1 32 GLU 8.660 0.934 18 7 "[ * .* * * .- +*2]"
1 34 CYS 0.401 0.083 13 0 "[ . 1 . 2]"
1 35 VAL 12.947 0.858 6 13 "[* * .+ **1 *-** ****]"
1 36 ASP 7.442 0.819 3 7 "[- + .* * 1 ** . *2]"
1 37 LEU 20.609 0.940 12 19 "[**-*** ****+********]"
1 38 LEU 0.401 0.083 13 0 "[ . 1 . 2]"
1 39 PHE 12.947 0.858 6 13 "[* * .+ **1 *-** ****]"
1 40 VAL 7.442 0.819 3 7 "[- + .* * 1 ** . *2]"
1 41 ARG 20.609 0.940 12 19 "[**-*** ****+********]"
1 59 ARG 4.776 0.810 16 2 "[ . 1 -+ 2]"
1 61 GLN 31.383 0.977 3 20 [**+***************-*]
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 23 VAL O 1 59 ARG N 2.900 2.600 3.400 2.810 2.527 3.767 0.367 16 0 "[ . 1 . 2]" 3
2 1 23 VAL O 1 59 ARG H 1.900 . 2.000 1.896 1.590 2.810 0.810 16 1 "[ . 1 .+ 2]" 3
3 1 23 VAL H 1 59 ARG O 1.900 . 2.000 2.093 1.777 2.626 0.626 15 1 "[ . 1 + 2]" 3
4 1 23 VAL N 1 59 ARG O 2.900 2.600 3.400 2.916 2.597 3.290 0.003 8 0 "[ . 1 . 2]" 3
5 1 21 LEU N 1 61 GLN O 2.900 2.600 3.400 3.641 3.465 3.852 0.452 3 0 "[ . 1 . 2]" 3
6 1 21 LEU H 1 61 GLN O 1.900 . 2.000 2.864 2.824 2.977 0.977 3 20 [**+*****-***********] 3
7 1 21 LEU O 1 61 GLN N 2.900 2.600 3.400 3.287 2.652 3.605 0.205 8 0 "[ . 1 . 2]" 3
8 1 21 LEU O 1 61 GLN H 1.900 . 2.000 2.405 1.720 2.796 0.796 8 8 "[* * . + 1 ** ** -2]" 3
9 1 22 MET O 1 30 LEU N 2.900 2.600 3.400 2.688 2.501 3.084 0.099 8 0 "[ . 1 . 2]" 3
10 1 22 MET O 1 30 LEU H 1.900 . 2.000 2.092 1.585 2.806 0.806 5 3 "[ + * -1 . 2]" 3
11 1 22 MET H 1 30 LEU O 1.900 . 2.000 1.742 1.460 2.088 0.088 4 0 "[ . 1 . 2]" 3
12 1 22 MET N 1 30 LEU O 2.900 2.600 3.400 2.692 2.418 3.059 0.182 6 0 "[ . 1 . 2]" 3
13 1 20 LYS O 1 32 GLU N 2.900 2.600 3.400 2.907 2.566 3.537 0.137 3 0 "[ . 1 . 2]" 3
14 1 20 LYS O 1 32 GLU H 1.900 . 2.000 2.407 1.856 2.934 0.934 18 7 "[ * .* * * .- +*2]" 3
15 1 34 CYS O 1 38 LEU H 1.900 . 2.000 1.692 1.589 1.983 . 0 0 "[ . 1 . 2]" 3
16 1 34 CYS O 1 38 LEU N 2.900 2.600 3.400 2.626 2.517 2.896 0.083 13 0 "[ . 1 . 2]" 3
17 1 35 VAL O 1 39 PHE H 1.900 . 2.000 2.500 1.928 2.858 0.858 6 13 "[* * .+ **1 *-** ****]" 3
18 1 35 VAL O 1 39 PHE N 2.900 2.600 3.400 3.431 2.859 3.786 0.386 6 0 "[ . 1 . 2]" 3
19 1 36 ASP O 1 40 VAL H 1.900 . 2.000 2.221 1.612 2.819 0.819 3 7 "[- + .* * 1 ** . *2]" 3
20 1 36 ASP O 1 40 VAL N 2.900 2.600 3.400 3.123 2.591 3.638 0.238 8 0 "[ . 1 . 2]" 3
21 1 37 LEU O 1 41 ARG H 1.900 . 2.000 2.800 1.992 2.940 0.940 12 19 "[**-*** ****+********]" 3
22 1 37 LEU O 1 41 ARG N 2.900 2.600 3.400 3.602 2.834 3.831 0.431 12 0 "[ . 1 . 2]" 3
stop_
save_
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