NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
386986 |
1m39   |
5503 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1m39
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 939
_Distance_constraint_stats_list.Viol_count 7599
_Distance_constraint_stats_list.Viol_total 37972.195
_Distance_constraint_stats_list.Viol_max 1.786
_Distance_constraint_stats_list.Viol_rms 0.1887
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0647
_Distance_constraint_stats_list.Viol_average_violations_only 0.1999
_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 3 PHE 62.123 1.524 24 23 "[**-***** *****.********+*]"
1 4 GLY 8.288 1.020 10 5 "[ - *. * + *. 2 .]"
1 5 ASP 5.285 0.314 21 0 "[ . 1 . 2 .]"
1 6 PHE 103.941 1.732 4 25 [**-+*********************]
1 7 LEU 66.524 1.786 23 25 [*************-********+**]
1 8 THR 23.568 0.669 5 7 "[ *+* 1 *. * * * .]"
1 9 VAL 43.869 0.870 24 25 [****-******************+*]
1 10 MET 27.264 0.826 12 24 "[*** *******+*-***********]"
1 11 THR 63.627 1.786 23 24 "[* **-*****************+**]"
1 12 GLN 18.915 1.141 22 21 "[* -******** *******+***]"
1 13 LYS 2.131 0.303 9 0 "[ . 1 . 2 .]"
1 20 LYS 12.043 0.792 7 10 "[ -. + * **.** * * *]"
1 21 GLU 13.236 0.792 7 10 "[ -. + * **.** * * *]"
1 22 GLU 13.909 0.687 17 6 "[ ** . 1 -* + 2 *.]"
1 23 ILE 24.390 1.020 10 11 "[ -**. * + ** ** 2 * *.]"
1 24 LEU 43.440 1.111 19 25 [*****-************+******]
1 25 LYS 3.207 0.128 15 0 "[ . 1 . 2 .]"
1 26 ALA 4.003 0.217 5 0 "[ . 1 . 2 .]"
1 27 PHE 104.861 1.081 6 25 [*****+-******************]
1 28 LYS 38.007 0.793 10 10 "[ ** * -* +* *. * * .]"
1 29 LEU 10.208 0.153 13 0 "[ . 1 . 2 .]"
1 30 PHE 72.670 1.466 23 25 [**-*******************+**]
1 31 ASP 6.694 0.149 8 0 "[ . 1 . 2 .]"
1 32 ASP 9.908 0.197 22 0 "[ . 1 . 2 .]"
1 33 ASP 19.109 0.768 15 13 "[ * - * 1 ***+* **** * .]"
1 34 GLU 4.816 0.402 17 0 "[ . 1 . 2 .]"
1 35 THR 40.860 0.883 15 21 "[***** ** 1****+*******-*.]"
1 36 GLY 29.682 0.999 20 22 "[***** **-** **** **+*****]"
1 37 LYS 52.704 1.032 7 23 "[***-* +**** *************]"
1 38 ILE 121.196 1.002 2 25 [*+**-********************]
1 39 SER 9.200 0.346 19 0 "[ . 1 . 2 .]"
1 40 PHE 98.744 1.651 16 25 [**-************+*********]
1 41 LYS 18.436 0.826 3 7 "[ + . 1 *-.* * ** .]"
1 42 ASN 42.832 1.002 2 25 [*+***************-*******]
1 43 LEU 38.119 1.466 23 14 "[*** .** 1* ** **** *+ .]"
1 44 LYS 73.386 1.135 8 25 [*******+-****************]
1 45 ARG 31.897 0.687 21 13 "[* *** ** 1 *.*-* 2+** .]"
1 46 VAL 93.565 1.732 4 25 [***+********************-]
1 47 ALA 7.597 0.815 23 4 "[ - . * 1 . 2* + .]"
1 48 LYS 3.445 0.254 23 0 "[ . 1 . 2 .]"
1 49 GLU 3.849 0.415 15 0 "[ . 1 . 2 .]"
1 50 LEU 66.442 1.261 4 25 [***+*********-***********]
1 51 GLY 3.792 0.248 15 0 "[ . 1 . 2 .]"
1 52 GLU 11.898 0.750 6 9 "[ * .+- ** * 2 ***.]"
1 53 ASN 11.437 0.750 6 10 "[ ** .+- ** * 2 ***.]"
1 54 LEU 23.512 1.553 22 14 "[ .** **** ***** 2-+ *]"
1 55 THR 75.791 1.553 22 25 [*********-***********+***]
1 56 ASP 56.165 1.668 23 25 [********************-*+**]
1 57 GLU 27.101 0.827 8 18 "[ * ***-+ * * ** ****** **]"
1 58 GLU 36.006 0.876 1 25 [+********-***************]
1 59 LEU 244.330 1.694 23 25 [********-*************+**]
1 60 GLN 20.990 0.565 11 12 "[ * -**** *+* . ***2 .]"
1 61 GLU 3.189 0.217 5 0 "[ . 1 . 2 .]"
1 62 MET 2.262 0.078 19 0 "[ . 1 . 2 .]"
1 63 ILE 69.558 0.806 9 25 [********+*************-**]
1 64 ASP 17.373 0.217 5 0 "[ . 1 . 2 .]"
1 65 GLU 10.753 0.213 3 0 "[ . 1 . 2 .]"
1 66 ALA 54.666 1.283 12 25 [***********+*****-*******]
1 67 ASP 24.830 0.806 9 18 "[*-* *** +*** ******* *.]"
1 68 ARG 16.054 0.622 12 9 "[* * . **1 + * * - *.]"
1 69 ASP 1.389 0.095 18 0 "[ . 1 . 2 .]"
1 70 GLY 5.248 0.439 10 0 "[ . 1 . 2 .]"
1 71 ASP 8.780 0.439 10 0 "[ . 1 . 2 .]"
1 72 GLY 5.235 0.313 21 0 "[ . 1 . 2 .]"
1 73 GLU 27.909 0.757 16 19 "[ ****** ****-*+ **2*** *]"
1 74 VAL 128.463 1.524 24 25 [***********************+-]
1 75 SER 33.250 1.032 7 19 "[***** + *1* ********-** .]"
1 76 GLU 30.289 1.264 15 11 "[ ***.*** 1 - + ** *.]"
1 77 GLN 22.187 0.834 3 8 "[ + . * 1* * ** *- .]"
1 78 GLU 14.798 0.387 17 0 "[ . 1 . 2 .]"
1 79 PHE 95.542 1.264 15 25 [*****-********+**********]
1 80 LEU 20.135 0.526 23 1 "[ . 1 . 2 + .]"
1 81 ARG 3.243 0.180 20 0 "[ . 1 . 2 .]"
1 82 ILE 16.102 0.683 18 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 6 PHE H 1 7 LEU H 3.000 2.600 3.000 2.676 2.549 3.001 0.051 23 0 "[ . 1 . 2 .]" 1
2 1 7 LEU H 1 8 THR H 3.000 2.600 3.000 2.716 2.565 3.003 0.035 16 0 "[ . 1 . 2 .]" 1
3 1 8 THR H 1 9 VAL H 3.000 2.600 3.000 2.839 2.700 3.049 0.049 23 0 "[ . 1 . 2 .]" 1
4 1 9 VAL H 1 10 MET H 3.000 2.600 3.000 2.857 2.714 2.992 . 0 0 "[ . 1 . 2 .]" 1
5 1 11 THR H 1 12 GLN H 3.000 2.600 3.000 2.834 2.526 3.095 0.095 5 0 "[ . 1 . 2 .]" 1
6 1 10 MET H 1 11 THR H 3.000 2.600 3.000 2.702 2.533 3.003 0.067 21 0 "[ . 1 . 2 .]" 1
7 1 4 GLY H 1 6 PHE H 4.600 3.500 4.600 4.452 3.791 4.657 0.057 7 0 "[ . 1 . 2 .]" 1
8 1 5 ASP H 1 7 LEU H 4.400 4.000 4.400 4.140 3.954 4.366 0.046 21 0 "[ . 1 . 2 .]" 1
9 1 6 PHE H 1 8 THR H 4.400 4.000 4.400 4.400 4.233 4.463 0.063 17 0 "[ . 1 . 2 .]" 1
10 1 3 PHE QD 1 6 PHE H 5.000 3.800 7.000 5.090 4.261 5.778 . 0 0 "[ . 1 . 2 .]" 1
11 1 6 PHE HA 1 9 VAL HB 3.800 3.000 3.800 2.940 2.871 2.992 0.129 23 0 "[ . 1 . 2 .]" 1
12 1 7 LEU H 1 9 VAL H 4.400 4.000 4.400 4.146 3.996 4.405 0.005 23 0 "[ . 1 . 2 .]" 1
13 1 8 THR H 1 10 MET H 4.400 4.000 4.400 4.428 4.292 4.477 0.077 25 0 "[ . 1 . 2 .]" 1
14 1 3 PHE HA 1 4 GLY H 3.700 3.300 3.700 3.480 3.244 3.605 0.056 24 0 "[ . 1 . 2 .]" 1
15 1 5 ASP HA 1 6 PHE H 3.700 3.300 3.700 3.588 3.501 3.688 . 0 0 "[ . 1 . 2 .]" 1
16 1 6 PHE HA 1 7 LEU H 3.700 3.300 3.700 3.559 3.496 3.603 . 0 0 "[ . 1 . 2 .]" 1
17 1 7 LEU HA 1 8 THR H 3.700 3.300 3.700 3.543 3.425 3.670 . 0 0 "[ . 1 . 2 .]" 1
18 1 9 VAL HA 1 10 MET H 3.700 3.300 3.700 3.548 3.466 3.612 . 0 0 "[ . 1 . 2 .]" 1
19 1 10 MET HA 1 11 THR H 3.700 3.300 3.700 3.484 3.250 3.714 0.050 16 0 "[ . 1 . 2 .]" 1
20 1 3 PHE HA 1 5 ASP H 4.600 4.200 4.600 4.280 3.940 4.644 0.260 21 0 "[ . 1 . 2 .]" 1
21 1 5 ASP HA 1 7 LEU H 4.600 4.200 4.600 4.412 4.221 4.566 . 0 0 "[ . 1 . 2 .]" 1
22 1 6 PHE HA 1 8 THR H 5.000 4.200 5.000 4.855 4.702 5.006 0.006 23 0 "[ . 1 . 2 .]" 1
23 1 7 LEU HA 1 9 VAL H 4.600 4.200 4.600 4.565 4.370 4.626 0.026 23 0 "[ . 1 . 2 .]" 1
24 1 8 THR HA 1 10 MET H 4.600 4.200 4.600 4.557 4.421 4.625 0.025 15 0 "[ . 1 . 2 .]" 1
25 1 9 VAL HA 1 11 THR H 4.600 4.200 4.600 4.654 4.345 4.773 0.173 4 0 "[ . 1 . 2 .]" 1
26 1 3 PHE HA 1 6 PHE H 3.600 3.200 3.600 3.488 3.180 3.813 0.213 21 0 "[ . 1 . 2 .]" 1
27 1 5 ASP HA 1 8 THR H 3.600 3.200 3.600 3.654 3.609 3.693 0.093 25 0 "[ . 1 . 2 .]" 1
28 1 7 LEU HA 1 10 MET H 3.600 3.200 3.600 3.642 3.548 3.734 0.134 24 0 "[ . 1 . 2 .]" 1
29 1 8 THR HA 1 11 THR H 3.600 3.200 3.600 3.570 3.263 3.677 0.077 16 0 "[ . 1 . 2 .]" 1
30 1 3 PHE HA 1 7 LEU H 5.000 4.000 5.000 4.291 3.937 5.004 0.063 12 0 "[ . 1 . 2 .]" 1
31 1 4 GLY HA2 1 7 LEU H 6.761 . 6.761 3.710 3.301 4.101 . 0 0 "[ . 1 . 2 .]" 1
32 1 4 GLY HA2 1 8 THR H 6.761 2.039 6.761 3.961 3.552 4.292 . 0 0 "[ . 1 . 2 .]" 1
33 1 5 ASP HA 1 9 VAL H 4.400 4.000 4.400 4.029 3.944 4.341 0.056 24 0 "[ . 1 . 2 .]" 1
34 1 6 PHE HA 1 10 MET H 4.400 4.000 4.400 4.241 3.965 4.449 0.049 14 0 "[ . 1 . 2 .]" 1
35 1 7 LEU HA 1 11 THR H 4.400 4.000 4.400 4.032 3.879 4.383 0.121 21 0 "[ . 1 . 2 .]" 1
36 1 3 PHE H 1 4 GLY H 3.800 3.000 3.800 3.150 2.702 3.630 0.298 1 0 "[ . 1 . 2 .]" 1
37 1 3 PHE HA 1 3 PHE QD 3.800 2.500 5.800 2.564 2.134 3.017 0.366 18 0 "[ . 1 . 2 .]" 1
38 1 3 PHE QD 1 6 PHE HB3 5.000 3.500 7.000 3.565 2.566 4.556 0.934 16 7 "[ - . * 1* * .+ * * .]" 1
39 1 3 PHE QD 1 6 PHE HB2 5.000 3.500 7.000 4.607 2.651 5.542 0.849 21 1 "[ . 1 . 2+ .]" 1
40 1 3 PHE H 1 3 PHE QD 3.800 3.000 5.800 3.410 2.429 4.256 0.571 17 1 "[ . 1 . + 2 .]" 1
41 1 3 PHE H 1 5 ASP H 5.000 3.800 5.000 4.612 3.932 5.314 0.314 21 0 "[ . 1 . 2 .]" 1
42 1 4 GLY H 1 5 ASP H 3.500 2.600 3.500 2.872 2.506 3.398 0.094 1 0 "[ . 1 . 2 .]" 1
43 1 4 GLY H 1 4 GLY HA3 3.000 . 3.000 2.443 2.366 2.491 . 0 0 "[ . 1 . 2 .]" 1
44 1 4 GLY H 1 4 GLY HA2 3.000 . 3.000 2.860 2.194 3.009 0.009 1 0 "[ . 1 . 2 .]" 1
45 1 3 PHE HB3 1 4 GLY H 5.000 3.000 5.000 3.860 2.978 4.846 0.022 4 0 "[ . 1 . 2 .]" 1
46 1 3 PHE HB2 1 4 GLY H 5.000 3.000 5.000 3.550 2.982 4.657 0.018 14 0 "[ . 1 . 2 .]" 1
47 1 3 PHE QD 1 4 GLY H 5.000 3.800 7.000 4.819 4.533 5.189 . 0 0 "[ . 1 . 2 .]" 1
48 1 4 GLY HA2 1 7 LEU HB3 8.515 . 8.515 2.950 2.159 4.707 . 0 0 "[ . 1 . 2 .]" 1
49 1 4 GLY HA2 1 7 LEU QD 6.761 2.039 7.761 3.243 2.726 4.138 . 0 0 "[ . 1 . 2 .]" 1
50 1 3 PHE QD 1 4 GLY HA3 6.261 2.039 8.261 6.584 6.040 6.985 . 0 0 "[ . 1 . 2 .]" 1
51 1 5 ASP H 1 6 PHE H 3.500 2.600 3.500 2.837 2.599 3.128 0.001 2 0 "[ . 1 . 2 .]" 1
52 1 5 ASP H 1 5 ASP HA 3.000 . 3.000 2.925 2.814 3.010 0.010 21 0 "[ . 1 . 2 .]" 1
53 1 4 GLY HA2 1 5 ASP H 3.500 2.500 3.500 3.508 3.282 3.551 0.051 1 0 "[ . 1 . 2 .]" 1
54 1 4 GLY HA3 1 5 ASP H 3.500 2.500 3.500 2.753 2.500 2.869 0.000 24 0 "[ . 1 . 2 .]" 1
55 1 3 PHE HA 1 6 PHE HB3 4.000 2.500 4.400 2.980 2.448 4.402 0.052 2 0 "[ . 1 . 2 .]" 1
56 1 3 PHE HA 1 6 PHE HB2 4.000 2.500 4.400 4.019 2.932 4.490 0.090 21 0 "[ . 1 . 2 .]" 1
57 1 6 PHE HA 1 6 PHE QD 3.000 . 5.000 2.972 2.259 3.384 . 0 0 "[ . 1 . 2 .]" 1
58 1 6 PHE HA 1 9 VAL QG 3.800 3.000 4.800 2.684 2.251 3.311 0.749 18 10 "[** . **1* -* + 2 * *.]" 1
59 1 6 PHE H 1 6 PHE QD 5.000 3.800 7.000 4.242 3.889 4.520 . 0 0 "[ . 1 . 2 .]" 1
60 1 6 PHE H 1 6 PHE HA 3.500 2.200 3.500 2.979 2.880 3.034 . 0 0 "[ . 1 . 2 .]" 1
61 1 6 PHE H 1 6 PHE HB3 3.000 . 3.000 2.481 2.181 3.015 0.015 17 0 "[ . 1 . 2 .]" 1
62 1 6 PHE H 1 6 PHE HB2 3.000 . 3.000 2.718 2.252 3.002 0.002 18 0 "[ . 1 . 2 .]" 1
63 1 6 PHE QD 1 7 LEU HA 4.000 3.000 6.000 3.938 3.279 5.017 . 0 0 "[ . 1 . 2 .]" 1
64 1 6 PHE HB3 1 7 LEU H 3.800 3.000 4.000 2.942 2.905 2.984 0.095 21 0 "[ . 1 . 2 .]" 1
65 1 6 PHE HB2 1 7 LEU H 3.800 3.000 4.000 4.037 3.651 4.106 0.106 2 0 "[ . 1 . 2 .]" 1
66 1 7 LEU H 1 7 LEU HB3 3.500 2.500 3.500 2.690 2.383 3.701 0.201 9 0 "[ . 1 . 2 .]" 1
67 1 7 LEU H 1 7 LEU HB2 3.500 2.500 3.500 2.619 2.465 2.923 0.035 5 0 "[ . 1 . 2 .]" 1
68 1 7 LEU H 1 7 LEU HG 4.500 3.000 4.500 4.233 2.842 4.552 0.158 9 0 "[ . 1 . 2 .]" 1
69 1 6 PHE QD 1 7 LEU H 5.000 3.800 7.000 3.555 2.814 4.502 0.986 5 10 "[* -+* * 1 * . **2 * *]" 1
70 1 7 LEU H 1 7 LEU HA 3.800 3.000 3.800 2.981 2.952 3.009 0.048 5 0 "[ . 1 . 2 .]" 1
71 1 7 LEU H 1 7 LEU QD 5.000 3.800 6.000 3.673 2.850 3.913 0.950 22 4 "[ * . *1 .- 2 + .]" 1
72 1 3 PHE QD 1 7 LEU H 5.000 3.800 7.000 5.098 3.848 5.888 . 0 0 "[ . 1 . 2 .]" 1
73 1 7 LEU HA 1 7 LEU QD 3.800 3.000 4.000 2.551 2.142 3.100 0.858 6 15 "[ ***+**-**** *** 2 * .]" 1
74 1 8 THR H 1 8 THR HA 3.000 . 3.000 2.944 2.875 3.015 0.015 22 0 "[ . 1 . 2 .]" 1
75 1 7 LEU HB3 1 8 THR H 3.800 . 3.800 2.622 2.123 3.345 . 0 0 "[ . 1 . 2 .]" 1
76 1 7 LEU HB2 1 8 THR H 3.800 . 3.800 3.542 2.141 3.885 0.085 6 0 "[ . 1 . 2 .]" 1
77 1 7 LEU HG 1 8 THR H 3.800 3.000 3.800 3.861 3.430 4.008 0.208 22 0 "[ . 1 . 2 .]" 1
78 1 8 THR H 1 8 THR MG 3.800 3.000 4.800 3.503 2.331 3.944 0.669 5 5 "[ *+ 1 -. * 2 * .]" 1
79 1 9 VAL H 1 9 VAL HB 3.000 . 3.000 2.358 2.128 2.598 . 0 0 "[ . 1 . 2 .]" 1
80 1 8 THR MG 1 9 VAL H 3.800 3.000 4.800 3.432 2.368 4.034 0.632 20 5 "[ -* 1 . * + * .]" 1
81 1 9 VAL H 1 9 VAL QG 3.000 3.000 4.000 2.662 2.220 3.027 0.780 12 12 "[ **** 1 +**. * *** - .]" 1
82 1 8 THR HA 1 9 VAL H 5.000 3.500 5.000 3.508 3.475 3.584 0.025 22 0 "[ . 1 . 2 .]" 1
83 1 8 THR HB 1 9 VAL H 3.800 3.000 3.800 3.126 2.659 4.274 0.474 14 0 "[ . 1 . 2 .]" 1
84 1 6 PHE HA 1 9 VAL H 5.000 3.800 5.000 3.797 3.732 3.993 0.068 16 0 "[ . 1 . 2 .]" 1
85 1 8 THR MG 1 9 VAL HA 5.000 3.800 6.000 4.105 3.594 4.581 0.206 6 0 "[ . 1 . 2 .]" 1
86 1 10 MET H 1 10 MET HA 3.000 . 3.000 2.987 2.881 3.043 0.043 24 0 "[ . 1 . 2 .]" 1
87 1 9 VAL QG 1 10 MET H 3.800 3.000 4.800 2.733 2.225 3.348 0.775 8 13 "[*** . +*** ** - 2 * **]" 1
88 1 11 THR H 1 13 LYS H 4.400 4.000 4.400 4.437 4.184 4.703 0.303 9 0 "[ . 1 . 2 .]" 1
89 1 9 VAL H 1 11 THR H 4.400 4.000 4.400 4.285 4.130 4.426 0.026 22 0 "[ . 1 . 2 .]" 1
90 1 11 THR H 1 11 THR HB 3.500 2.800 3.500 3.859 3.761 3.923 0.423 14 0 "[ . 1 . 2 .]" 1
91 1 10 MET QB 1 11 THR H 3.500 . 4.500 2.568 2.019 2.916 . 0 0 "[ . 1 . 2 .]" 1
92 1 11 THR H 1 11 THR MG 3.500 . 4.500 2.552 2.313 3.094 . 0 0 "[ . 1 . 2 .]" 1
93 1 10 MET QG 1 11 THR H 5.272 . 5.272 4.192 2.989 4.725 . 0 0 "[ . 1 . 2 .]" 1
94 1 12 GLN H 1 13 LYS H 3.800 3.000 3.800 3.000 2.928 3.129 0.072 18 0 "[ . 1 . 2 .]" 1
95 1 11 THR HB 1 12 GLN H 3.000 . 3.000 3.714 3.263 4.141 1.141 22 21 "[* -******** *******+***]" 1
96 1 11 THR MG 1 12 GLN H 5.000 3.800 6.000 4.085 3.874 4.285 . 0 0 "[ . 1 . 2 .]" 1
97 1 20 LYS H 1 21 GLU H 5.000 3.800 5.000 4.707 4.108 4.898 . 0 0 "[ . 1 . 2 .]" 1
98 1 21 GLU H 1 22 GLU H 5.000 3.800 5.000 3.714 3.599 3.797 0.201 5 0 "[ . 1 . 2 .]" 1
99 1 21 GLU H 1 21 GLU HA 3.500 2.500 3.500 2.440 2.388 2.627 0.112 10 0 "[ . 1 . 2 .]" 1
100 1 20 LYS HA 1 21 GLU H 3.800 3.000 3.800 2.986 2.834 3.681 0.166 11 0 "[ . 1 . 2 .]" 1
101 1 20 LYS QB 1 21 GLU H 3.800 3.000 4.800 2.858 2.208 3.584 0.792 7 10 "[ -. + * **.** * * *]" 1
102 1 22 GLU H 1 23 ILE H 3.000 2.600 3.000 2.910 2.558 3.090 0.090 24 0 "[ . 1 . 2 .]" 1
103 1 20 LYS H 1 22 GLU H 4.400 4.000 4.400 4.087 3.903 4.427 0.097 9 0 "[ . 1 . 2 .]" 1
104 1 22 GLU HA 1 23 ILE H 3.600 3.200 3.600 3.594 3.470 3.657 0.057 6 0 "[ . 1 . 2 .]" 1
105 1 20 LYS HA 1 23 ILE H 3.600 3.200 3.600 3.693 3.636 3.746 0.146 15 0 "[ . 1 . 2 .]" 1
106 1 21 GLU H 1 23 ILE H 5.000 3.800 5.000 4.349 4.117 5.012 0.012 5 0 "[ . 1 . 2 .]" 1
107 1 22 GLU QG 1 23 ILE H 5.000 3.800 6.000 3.952 3.113 4.744 0.687 17 5 "[ -* . 1 * + 2 *.]" 1
108 1 22 GLU QB 1 23 ILE H 3.800 3.000 4.800 3.208 2.506 3.835 0.494 24 0 "[ . 1 . 2 .]" 1
109 1 21 GLU HA 1 23 ILE H 4.600 4.200 4.600 4.316 4.170 4.602 0.030 5 0 "[ . 1 . 2 .]" 1
110 1 23 ILE H 1 24 LEU H 3.000 2.600 3.000 2.793 2.591 3.001 0.009 21 0 "[ . 1 . 2 .]" 1
111 1 22 GLU H 1 24 LEU H 4.400 4.000 4.400 4.488 4.419 4.556 0.156 19 0 "[ . 1 . 2 .]" 1
112 1 24 LEU HA 1 27 PHE QB 4.400 2.500 4.400 3.274 3.173 3.425 . 0 0 "[ . 1 . 2 .]" 1
113 1 24 LEU H 1 25 LYS H 3.000 2.600 3.000 2.578 2.540 2.701 0.060 18 0 "[ . 1 . 2 .]" 1
114 1 23 ILE H 1 25 LYS H 4.400 4.000 4.400 4.392 4.248 4.459 0.059 25 0 "[ . 1 . 2 .]" 1
115 1 25 LYS H 1 26 ALA H 3.000 2.600 3.000 2.757 2.575 2.954 0.025 25 0 "[ . 1 . 2 .]" 1
116 1 26 ALA H 1 27 PHE H 3.000 2.600 3.000 2.762 2.589 2.957 0.011 5 0 "[ . 1 . 2 .]" 1
117 1 26 ALA H 1 28 LYS H 4.000 4.000 4.400 4.221 4.094 4.353 . 0 0 "[ . 1 . 2 .]" 1
118 1 24 LEU H 1 26 ALA H 4.000 4.000 4.400 4.048 3.968 4.209 0.032 21 0 "[ . 1 . 2 .]" 1
119 1 24 LEU HA 1 26 ALA H 4.600 4.200 4.600 4.530 4.429 4.629 0.029 25 0 "[ . 1 . 2 .]" 1
120 1 23 ILE HA 1 26 ALA H 3.600 3.200 3.600 3.701 3.626 3.817 0.217 5 0 "[ . 1 . 2 .]" 1
121 1 27 PHE H 1 28 LYS H 3.000 2.600 3.000 2.551 2.522 2.584 0.078 25 0 "[ . 1 . 2 .]" 1
122 1 27 PHE H 1 29 LEU H 4.000 4.000 4.400 4.245 4.134 4.352 . 0 0 "[ . 1 . 2 .]" 1
123 1 25 LYS H 1 27 PHE H 4.000 4.000 4.400 4.358 4.137 4.424 0.024 14 0 "[ . 1 . 2 .]" 1
124 1 27 PHE H 1 27 PHE QD 3.800 3.000 5.800 4.286 4.185 4.378 . 0 0 "[ . 1 . 2 .]" 1
125 1 27 PHE H 1 27 PHE QB 3.800 . 3.800 2.222 2.108 2.273 . 0 0 "[ . 1 . 2 .]" 1
126 1 25 LYS HA 1 27 PHE H 4.600 4.200 4.600 4.586 4.454 4.651 0.051 23 0 "[ . 1 . 2 .]" 1
127 1 27 PHE HA 1 27 PHE QD 3.000 . 5.000 3.391 3.278 3.515 . 0 0 "[ . 1 . 2 .]" 1
128 1 27 PHE QD 1 28 LYS HB3 5.560 . 7.560 4.951 4.488 5.152 . 0 0 "[ . 1 . 2 .]" 1
129 1 27 PHE QD 1 28 LYS QD 3.800 3.000 6.800 2.643 2.207 3.562 0.793 10 8 "[ ** * - +* *. * .]" 1
130 1 27 PHE QE 1 28 LYS QD 5.000 3.500 8.000 3.145 2.841 3.490 0.659 23 4 "[ * - 1 . * + .]" 1
131 1 27 PHE HZ 1 28 LYS QD 5.000 3.500 6.000 5.328 5.121 5.488 . 0 0 "[ . 1 . 2 .]" 1
132 1 27 PHE H 1 27 PHE HA 3.000 . 3.000 3.004 2.987 3.023 0.023 23 0 "[ . 1 . 2 .]" 1
133 1 24 LEU HA 1 27 PHE H 3.600 3.200 3.600 3.688 3.612 3.747 0.147 10 0 "[ . 1 . 2 .]" 1
134 1 23 ILE HA 1 27 PHE H 4.400 4.000 4.400 3.984 3.893 4.304 0.107 3 0 "[ . 1 . 2 .]" 1
135 1 28 LYS H 1 28 LYS HA 3.000 . 3.000 2.974 2.931 3.013 0.013 15 0 "[ . 1 . 2 .]" 1
136 1 26 ALA HA 1 28 LYS H 4.600 4.200 4.600 4.533 4.371 4.616 0.016 7 0 "[ . 1 . 2 .]" 1
137 1 28 LYS H 1 29 LEU H 3.000 2.600 3.000 2.744 2.568 2.918 0.032 10 0 "[ . 1 . 2 .]" 1
138 1 28 LYS H 1 30 PHE H 4.000 4.000 4.400 4.011 3.938 4.087 0.062 18 0 "[ . 1 . 2 .]" 1
139 1 27 PHE HA 1 28 LYS H 3.700 3.300 3.700 3.613 3.556 3.678 . 0 0 "[ . 1 . 2 .]" 1
140 1 27 PHE QB 1 28 LYS H 3.800 3.000 3.800 2.830 2.800 2.861 0.200 21 0 "[ . 1 . 2 .]" 1
141 1 28 LYS H 1 28 LYS HB3 3.800 . 3.800 3.383 2.832 3.805 0.005 14 0 "[ . 1 . 2 .]" 1
142 1 28 LYS H 1 28 LYS HB2 3.800 . 3.800 2.530 2.378 2.739 . 0 0 "[ . 1 . 2 .]" 1
143 1 28 LYS H 1 28 LYS QG 5.000 3.500 6.000 3.824 3.122 4.310 0.378 11 0 "[ . 1 . 2 .]" 1
144 1 24 LEU HA 1 28 LYS H 4.000 4.000 4.400 3.963 3.881 4.093 0.119 10 0 "[ . 1 . 2 .]" 1
145 1 25 LYS HA 1 28 LYS H 3.600 3.200 3.600 3.664 3.605 3.728 0.128 15 0 "[ . 1 . 2 .]" 1
146 1 29 LEU H 1 29 LEU HB3 3.500 . 3.500 2.986 2.461 3.589 0.089 14 0 "[ . 1 . 2 .]" 1
147 1 29 LEU H 1 29 LEU HG 3.000 . 3.000 2.592 2.223 2.942 . 0 0 "[ . 1 . 2 .]" 1
148 1 29 LEU H 1 29 LEU HB2 3.500 . 3.500 3.088 2.399 3.631 0.131 6 0 "[ . 1 . 2 .]" 1
149 1 29 LEU H 1 29 LEU MD1 3.800 3.000 4.800 3.862 3.742 4.019 . 0 0 "[ . 1 . 2 .]" 1
150 1 29 LEU H 1 29 LEU MD2 3.800 3.000 4.800 3.589 3.214 3.996 . 0 0 "[ . 1 . 2 .]" 1
151 1 28 LYS HA 1 29 LEU H 3.700 3.300 3.700 3.715 3.699 3.744 0.044 10 0 "[ . 1 . 2 .]" 1
152 1 27 PHE HA 1 29 LEU H 4.600 4.200 4.600 4.608 4.485 4.650 0.050 6 0 "[ . 1 . 2 .]" 1
153 1 26 ALA HA 1 29 LEU H 3.600 3.200 3.600 3.650 3.617 3.691 0.091 17 0 "[ . 1 . 2 .]" 1
154 1 28 LYS HB3 1 29 LEU H 5.260 . 5.260 3.549 3.090 4.027 . 0 0 "[ . 1 . 2 .]" 1
155 1 30 PHE H 1 30 PHE HA 3.500 2.400 3.800 2.909 2.845 2.945 . 0 0 "[ . 1 . 2 .]" 1
156 1 30 PHE H 1 38 ILE QG 6.746 2.054 6.746 4.983 4.603 5.544 . 0 0 "[ . 1 . 2 .]" 1
157 1 30 PHE H 1 38 ILE MD 5.000 3.800 6.000 4.319 3.990 4.603 . 0 0 "[ . 1 . 2 .]" 1
158 1 29 LEU HB2 1 30 PHE H 5.000 3.800 5.000 3.978 3.647 4.326 0.153 13 0 "[ . 1 . 2 .]" 1
159 1 29 LEU HB3 1 30 PHE H 5.000 3.800 5.000 4.130 4.037 4.309 . 0 0 "[ . 1 . 2 .]" 1
160 1 27 PHE QD 1 28 LYS H 3.800 3.000 5.800 3.381 3.019 3.663 . 0 0 "[ . 1 . 2 .]" 1
161 1 28 LYS HA 1 30 PHE H 4.600 4.200 4.600 4.232 4.121 4.427 0.079 19 0 "[ . 1 . 2 .]" 1
162 1 28 LYS HB3 1 30 PHE H 6.960 2.040 6.960 5.515 5.283 5.767 . 0 0 "[ . 1 . 2 .]" 1
163 1 28 LYS HA 1 31 ASP H 3.600 3.200 3.600 3.546 3.326 3.660 0.060 11 0 "[ . 1 . 2 .]" 1
164 1 27 PHE HA 1 30 PHE QE 4.500 3.500 6.500 4.769 3.674 5.385 . 0 0 "[ . 1 . 2 .]" 1
165 1 27 PHE HA 1 30 PHE H 3.600 3.200 3.600 3.407 3.258 3.565 . 0 0 "[ . 1 . 2 .]" 1
166 1 27 PHE HA 1 30 PHE QB 6.939 2.061 6.939 2.278 2.051 2.727 0.010 11 0 "[ . 1 . 2 .]" 1
167 1 29 LEU H 1 30 PHE H 3.000 2.600 3.000 2.647 2.568 2.801 0.032 6 0 "[ . 1 . 2 .]" 1
168 1 29 LEU HA 1 30 PHE H 3.500 2.500 3.500 3.521 3.461 3.566 0.066 13 0 "[ . 1 . 2 .]" 1
169 1 29 LEU H 1 30 PHE QD 5.200 3.800 7.200 5.416 4.755 6.029 . 0 0 "[ . 1 . 2 .]" 1
170 1 27 PHE QD 1 30 PHE QD 3.800 3.000 7.800 5.119 3.607 5.834 . 0 0 "[ . 1 . 2 .]" 1
171 1 27 PHE HA 1 30 PHE QD 3.000 . 5.000 2.960 2.138 3.701 . 0 0 "[ . 1 . 2 .]" 1
172 1 30 PHE QD 1 31 ASP HA 3.800 3.000 5.800 4.942 4.163 5.627 . 0 0 "[ . 1 . 2 .]" 1
173 1 31 ASP H 1 31 ASP HB2 3.800 3.000 3.800 3.314 2.887 3.818 0.113 7 0 "[ . 1 . 2 .]" 1
174 1 31 ASP H 1 31 ASP HB3 3.800 3.000 3.800 3.115 2.898 3.832 0.102 3 0 "[ . 1 . 2 .]" 1
175 1 31 ASP H 1 31 ASP HA 3.800 3.000 3.800 3.015 2.942 3.100 0.058 12 0 "[ . 1 . 2 .]" 1
176 1 28 LYS HA 1 31 ASP HB3 5.241 . 5.241 4.394 3.366 5.262 0.021 7 0 "[ . 1 . 2 .]" 1
177 1 28 LYS HB3 1 31 ASP H 6.760 2.040 6.760 5.718 5.239 6.098 . 0 0 "[ . 1 . 2 .]" 1
178 1 32 ASP H 1 32 ASP HB3 3.800 3.000 3.800 3.160 2.881 3.740 0.119 17 0 "[ . 1 . 2 .]" 1
179 1 32 ASP H 1 32 ASP HB2 3.800 3.000 3.800 3.459 2.803 3.817 0.197 22 0 "[ . 1 . 2 .]" 1
180 1 32 ASP H 1 34 GLU H 4.800 3.000 4.800 4.704 4.584 4.886 0.086 17 0 "[ . 1 . 2 .]" 1
181 1 31 ASP H 1 32 ASP H 5.000 3.800 5.000 3.772 3.677 3.868 0.123 22 0 "[ . 1 . 2 .]" 1
182 1 31 ASP HA 1 32 ASP H 3.800 3.000 3.800 2.887 2.851 2.945 0.149 8 0 "[ . 1 . 2 .]" 1
183 1 30 PHE HA 1 32 ASP H 5.000 3.800 5.000 4.221 3.807 4.725 . 0 0 "[ . 1 . 2 .]" 1
184 1 29 LEU HA 1 32 ASP H 5.000 3.800 5.000 5.060 5.014 5.124 0.124 6 0 "[ . 1 . 2 .]" 1
185 1 33 ASP H 1 33 ASP HA 3.000 . 3.000 3.006 2.980 3.042 0.042 25 0 "[ . 1 . 2 .]" 1
186 1 32 ASP H 1 33 ASP H 3.800 3.000 3.800 3.465 3.137 3.644 . 0 0 "[ . 1 . 2 .]" 1
187 1 33 ASP H 1 34 GLU H 3.000 . 3.000 1.969 1.771 2.279 0.029 21 0 "[ . 1 . 2 .]" 1
188 1 34 GLU H 1 34 GLU HA 3.000 . 3.000 2.316 2.264 2.572 . 0 0 "[ . 1 . 2 .]" 1
189 1 34 GLU H 1 35 THR MG 5.000 3.800 6.000 3.982 3.398 4.295 0.402 17 0 "[ . 1 . 2 .]" 1
190 1 34 GLU H 1 35 THR H 3.000 . 3.000 2.521 1.969 2.790 . 0 0 "[ . 1 . 2 .]" 1
191 1 35 THR H 1 36 GLY H 3.000 . 3.000 2.422 2.185 2.789 . 0 0 "[ . 1 . 2 .]" 1
192 1 36 GLY H 1 37 LYS H 3.000 . 3.000 2.883 2.575 3.192 0.192 17 0 "[ . 1 . 2 .]" 1
193 1 34 GLU H 1 36 GLY H 3.800 3.000 3.800 3.867 3.822 3.959 0.159 17 0 "[ . 1 . 2 .]" 1
194 1 33 ASP H 1 35 THR H 5.000 3.800 5.000 3.787 3.721 4.036 0.079 20 0 "[ . 1 . 2 .]" 1
195 1 35 THR H 1 37 LYS H 5.000 3.800 5.000 4.776 4.263 5.039 0.039 7 0 "[ . 1 . 2 .]" 1
196 1 37 LYS H 1 38 ILE H 5.000 3.800 5.000 4.096 3.817 4.316 . 0 0 "[ . 1 . 2 .]" 1
197 1 38 ILE H 1 39 SER H 5.000 3.800 5.000 4.406 4.240 4.558 . 0 0 "[ . 1 . 2 .]" 1
198 1 34 GLU HA 1 35 THR H 3.800 2.500 3.800 3.006 2.426 3.237 0.074 25 0 "[ . 1 . 2 .]" 1
199 1 34 GLU QB 1 35 THR H 3.800 3.000 3.800 3.583 3.152 3.688 . 0 0 "[ . 1 . 2 .]" 1
200 1 35 THR H 1 35 THR MG 3.800 3.000 4.800 2.344 2.158 2.774 0.842 21 20 "[***-* ** 1* ********+***.]" 1
201 1 34 GLU HA 1 36 GLY H 3.800 3.800 5.000 3.757 3.628 4.088 0.172 6 0 "[ . 1 . 2 .]" 1
202 1 27 PHE QE 1 36 GLY H 5.000 3.800 7.000 4.664 4.219 5.644 . 0 0 "[ . 1 . 2 .]" 1
203 1 34 GLU QG 1 36 GLY H 5.000 3.800 6.000 5.260 5.186 5.426 . 0 0 "[ . 1 . 2 .]" 1
204 1 35 THR MG 1 36 GLY H 5.000 3.800 6.000 3.630 2.917 4.309 0.883 15 7 "[ . * 1* +* *2- * .]" 1
205 1 37 LYS H 1 37 LYS HA 3.000 . 3.000 3.017 2.915 3.069 0.069 17 0 "[ . 1 . 2 .]" 1
206 1 36 GLY QA 1 37 LYS H 5.547 . 5.547 2.551 2.310 2.720 . 0 0 "[ . 1 . 2 .]" 1
207 1 37 LYS H 1 37 LYS QD 4.200 3.000 5.200 4.055 2.924 4.789 0.076 6 0 "[ . 1 . 2 .]" 1
208 1 37 LYS H 1 37 LYS QG 5.000 3.800 6.000 4.053 3.069 4.418 0.731 17 3 "[- . 1 . + *2 .]" 1
209 1 37 LYS H 1 37 LYS QB 3.800 3.000 4.800 2.858 2.526 3.414 0.474 20 0 "[ . 1 . 2 .]" 1
210 1 35 THR MG 1 37 LYS H 5.000 3.800 6.000 4.524 3.162 5.077 0.638 11 4 "[ . 1+ .* 2* - .]" 1
211 1 37 LYS HA 1 37 LYS QG 3.800 3.000 4.800 2.612 2.350 3.456 0.650 20 16 "[ **-* *** **.* * +* ***]" 1
212 1 37 LYS HA 1 37 LYS QD 3.800 3.000 4.800 3.207 2.240 3.984 0.760 7 4 "[ . +* 1- * 2 .]" 1
213 1 37 LYS HA 1 38 ILE H 2.800 2.200 2.800 2.238 2.170 2.427 0.030 2 0 "[ . 1 . 2 .]" 1
214 1 38 ILE HA 1 38 ILE MD 3.800 3.000 4.800 3.208 2.792 3.427 0.208 23 0 "[ . 1 . 2 .]" 1
215 1 38 ILE H 1 38 ILE MG 3.800 3.000 4.800 4.095 4.075 4.114 . 0 0 "[ . 1 . 2 .]" 1
216 1 38 ILE H 1 38 ILE MD 3.800 3.000 4.800 2.579 2.404 2.796 0.596 11 6 "[ - 1+ . * *** .]" 1
217 1 38 ILE H 1 38 ILE HB 3.800 3.000 3.800 2.969 2.931 3.252 0.069 2 0 "[ . 1 . 2 .]" 1
218 1 38 ILE HA 1 39 SER H 2.600 . 2.600 1.971 1.860 2.041 . 0 0 "[ . 1 . 2 .]" 1
219 1 39 SER H 1 39 SER HA 3.000 . 3.000 3.035 3.001 3.044 0.044 17 0 "[ . 1 . 2 .]" 1
220 1 39 SER H 1 42 ASN H 5.000 3.500 5.000 3.674 3.524 3.968 . 0 0 "[ . 1 . 2 .]" 1
221 1 39 SER H 1 39 SER HB2 5.000 3.500 5.000 3.834 3.404 4.007 0.096 25 0 "[ . 1 . 2 .]" 1
222 1 38 ILE QG 1 39 SER H 5.000 3.800 5.000 3.937 3.680 4.505 0.120 25 0 "[ . 1 . 2 .]" 1
223 1 38 ILE MD 1 39 SER H 5.000 3.800 6.000 4.741 4.342 4.932 . 0 0 "[ . 1 . 2 .]" 1
224 1 38 ILE MG 1 39 SER H 3.200 . 4.200 2.304 2.086 2.479 . 0 0 "[ . 1 . 2 .]" 1
225 1 39 SER H 1 39 SER HB3 5.000 3.500 5.000 3.479 3.355 4.093 0.145 17 0 "[ . 1 . 2 .]" 1
226 1 38 ILE HB 1 39 SER H 3.800 3.000 3.800 3.801 3.462 3.869 0.069 24 0 "[ . 1 . 2 .]" 1
227 1 39 SER HA 1 40 PHE HB3 5.200 3.500 5.200 5.112 4.996 5.234 0.034 19 0 "[ . 1 . 2 .]" 1
228 1 39 SER HA 1 40 PHE HB2 5.200 3.500 5.200 4.751 4.593 4.889 . 0 0 "[ . 1 . 2 .]" 1
229 1 39 SER H 1 42 ASN QB 5.000 3.500 5.000 3.372 3.154 3.694 0.346 19 0 "[ . 1 . 2 .]" 1
230 1 33 ASP H 1 34 GLU QB 5.000 3.800 5.000 4.508 4.223 4.875 . 0 0 "[ . 1 . 2 .]" 1
231 1 32 ASP HB3 1 33 ASP H 5.000 3.800 5.000 4.554 3.772 4.817 0.028 7 0 "[ . 1 . 2 .]" 1
232 1 32 ASP HB2 1 33 ASP H 5.000 3.800 5.000 4.123 3.760 4.733 0.040 15 0 "[ . 1 . 2 .]" 1
233 1 33 ASP HB3 1 34 GLU H 6.757 2.043 6.757 3.899 3.127 4.505 . 0 0 "[ . 1 . 2 .]" 1
234 1 40 PHE H 1 41 LYS H 3.000 2.600 3.000 2.778 2.584 2.945 0.016 8 0 "[ . 1 . 2 .]" 1
235 1 40 PHE H 1 42 ASN H 4.000 4.000 4.400 4.470 4.425 4.517 0.117 2 0 "[ . 1 . 2 .]" 1
236 1 40 PHE H 1 40 PHE HA 3.000 . 3.000 2.991 2.941 3.028 0.028 16 0 "[ . 1 . 2 .]" 1
237 1 39 SER HA 1 40 PHE H 3.800 2.500 3.800 2.446 2.407 2.488 0.093 19 0 "[ . 1 . 2 .]" 1
238 1 40 PHE H 1 40 PHE QD 3.800 3.000 5.800 4.382 4.193 4.472 . 0 0 "[ . 1 . 2 .]" 1
239 1 40 PHE H 1 40 PHE HB3 3.000 2.800 3.200 2.701 2.642 2.835 0.158 15 0 "[ . 1 . 2 .]" 1
240 1 40 PHE H 1 40 PHE HB2 3.000 2.800 3.200 2.743 2.581 3.030 0.219 19 0 "[ . 1 . 2 .]" 1
241 1 40 PHE HA 1 43 LEU HB3 4.200 3.000 4.200 4.332 4.291 4.381 0.181 25 0 "[ . 1 . 2 .]" 1
242 1 40 PHE HA 1 43 LEU HB2 4.200 3.000 4.200 2.927 2.881 2.967 0.119 23 0 "[ . 1 . 2 .]" 1
243 1 41 LYS H 1 41 LYS QG 3.800 3.000 4.800 3.513 2.440 4.302 0.560 16 2 "[ . 1 -.+ 2 .]" 1
244 1 41 LYS H 1 41 LYS HD3 5.572 . 5.572 4.222 1.973 5.408 . 0 0 "[ . 1 . 2 .]" 1
245 1 41 LYS H 1 41 LYS HB2 3.500 . 3.500 2.506 2.265 3.520 0.020 18 0 "[ . 1 . 2 .]" 1
246 1 41 LYS H 1 41 LYS HB3 3.500 . 3.500 3.204 2.379 3.645 0.145 16 0 "[ . 1 . 2 .]" 1
247 1 39 SER HA 1 41 LYS H 5.000 3.800 5.000 4.563 4.360 4.750 . 0 0 "[ . 1 . 2 .]" 1
248 1 39 SER H 1 41 LYS H 5.000 3.800 5.000 4.746 4.580 4.982 . 0 0 "[ . 1 . 2 .]" 1
249 1 41 LYS H 1 43 LEU H 4.000 4.000 4.400 4.159 3.989 4.410 0.011 10 0 "[ . 1 . 2 .]" 1
250 1 41 LYS H 1 42 ASN H 3.000 2.600 3.000 2.657 2.552 2.893 0.048 3 0 "[ . 1 . 2 .]" 1
251 1 41 LYS H 1 43 LEU QD 5.000 3.800 7.400 4.977 4.215 5.267 . 0 0 "[ . 1 . 2 .]" 1
252 1 40 PHE HA 1 41 LYS H 3.700 3.300 3.700 3.459 3.337 3.551 . 0 0 "[ . 1 . 2 .]" 1
253 1 41 LYS H 1 41 LYS HA 3.000 . 3.000 2.972 2.892 3.010 0.010 3 0 "[ . 1 . 2 .]" 1
254 1 40 PHE HB3 1 41 LYS H 3.500 2.500 3.500 3.054 2.477 3.437 0.023 20 0 "[ . 1 . 2 .]" 1
255 1 40 PHE HB2 1 41 LYS H 3.500 2.500 5.000 4.093 3.649 4.412 . 0 0 "[ . 1 . 2 .]" 1
256 1 40 PHE QE 1 41 LYS H 5.000 3.800 7.000 5.900 5.423 6.114 . 0 0 "[ . 1 . 2 .]" 1
257 1 40 PHE QD 1 41 LYS H 3.800 3.000 5.800 3.971 3.430 4.481 . 0 0 "[ . 1 . 2 .]" 1
258 1 38 ILE MG 1 41 LYS H 5.000 3.500 6.000 4.960 4.893 5.025 . 0 0 "[ . 1 . 2 .]" 1
259 1 41 LYS HA 1 41 LYS HD3 5.000 2.500 5.000 4.084 2.490 5.056 0.056 8 0 "[ . 1 . 2 .]" 1
260 1 41 LYS HA 1 41 LYS HD2 5.000 2.500 5.000 3.790 2.477 5.036 0.036 14 0 "[ . 1 . 2 .]" 1
261 1 41 LYS HA 1 41 LYS QG 3.800 3.000 4.800 2.712 2.414 3.431 0.586 20 3 "[ * . 1 - . + .]" 1
262 1 41 LYS HA 1 44 LYS HG2 5.000 3.000 5.000 4.288 2.889 5.053 0.111 20 0 "[ . 1 . 2 .]" 1
263 1 41 LYS HA 1 44 LYS HG3 5.000 3.000 5.000 3.525 2.997 4.562 0.003 23 0 "[ . 1 . 2 .]" 1
264 1 41 LYS HA 1 44 LYS QZ 5.000 3.800 6.000 4.640 2.974 5.040 0.826 3 2 "[ + . 1 . 2- .]" 1
265 1 42 ASN H 1 42 ASN QB 3.800 3.000 3.800 2.890 2.613 3.189 0.387 4 0 "[ . 1 . 2 .]" 1
266 1 41 LYS HA 1 42 ASN H 3.700 3.300 3.700 3.577 3.403 3.668 . 0 0 "[ . 1 . 2 .]" 1
267 1 40 PHE HA 1 42 ASN H 5.000 4.200 5.000 4.324 4.186 4.442 0.014 2 0 "[ . 1 . 2 .]" 1
268 1 38 ILE MG 1 42 ASN H 3.800 3.000 4.800 3.605 3.448 3.722 . 0 0 "[ . 1 . 2 .]" 1
269 1 38 ILE HA 1 42 ASN H 5.200 3.800 5.200 5.219 5.027 5.284 0.084 10 0 "[ . 1 . 2 .]" 1
270 1 41 LYS HB3 1 42 ASN H 3.800 3.000 3.800 3.376 2.894 3.894 0.106 21 0 "[ . 1 . 2 .]" 1
271 1 41 LYS HB2 1 42 ASN H 3.800 3.000 3.800 3.376 2.898 3.963 0.163 18 0 "[ . 1 . 2 .]" 1
272 1 38 ILE MG 1 42 ASN QB 3.800 3.000 4.800 2.064 1.998 2.237 1.002 2 25 [*+********************-**] 1
273 1 42 ASN H 1 43 LEU H 3.000 2.600 3.000 2.563 2.531 2.663 0.069 16 0 "[ . 1 . 2 .]" 1
274 1 43 LEU H 1 45 ARG H 5.000 4.000 5.000 4.409 4.165 4.573 . 0 0 "[ . 1 . 2 .]" 1
275 1 42 ASN QB 1 43 LEU H 4.500 3.000 4.500 2.999 2.889 3.206 0.111 21 0 "[ . 1 . 2 .]" 1
276 1 44 LYS H 1 44 LYS QB 3.000 . 4.000 2.634 2.484 2.787 . 0 0 "[ . 1 . 2 .]" 1
277 1 43 LEU HG 1 44 LYS H 5.000 3.800 5.000 4.463 4.163 5.009 0.009 2 0 "[ . 1 . 2 .]" 1
278 1 43 LEU HB2 1 44 LYS H 6.751 . 6.751 2.628 2.423 2.906 . 0 0 "[ . 1 . 2 .]" 1
279 1 43 LEU QD 1 44 LYS H 5.000 3.500 7.400 4.117 3.945 4.265 . 0 0 "[ . 1 . 2 .]" 1
280 1 41 LYS HD3 1 42 ASN H 6.772 2.028 6.772 5.273 2.292 6.680 . 0 0 "[ . 1 . 2 .]" 1
281 1 41 LYS QG 1 42 ASN H 5.000 3.800 6.000 4.368 3.212 4.796 0.588 18 1 "[ . 1 . + 2 .]" 1
282 1 42 ASN QB 1 42 ASN HD21 5.000 3.000 5.000 2.818 2.601 2.855 0.399 4 0 "[ . 1 . 2 .]" 1
283 1 43 LEU H 1 43 LEU HA 3.000 . 3.000 2.851 2.792 2.928 . 0 0 "[ . 1 . 2 .]" 1
284 1 43 LEU H 1 43 LEU HB3 3.800 3.000 3.800 3.813 3.784 3.829 0.029 5 0 "[ . 1 . 2 .]" 1
285 1 43 LEU H 1 43 LEU HB2 3.800 3.000 3.800 2.923 2.859 2.955 0.141 14 0 "[ . 1 . 2 .]" 1
286 1 43 LEU H 1 43 LEU HG 3.000 . 3.000 2.458 2.178 3.094 0.094 2 0 "[ . 1 . 2 .]" 1
287 1 38 ILE MG 1 43 LEU H 3.800 3.000 4.800 2.897 2.652 3.247 0.348 19 0 "[ . 1 . 2 .]" 1
288 1 44 LYS H 1 45 ARG H 3.000 2.600 3.000 2.906 2.653 3.058 0.058 3 0 "[ . 1 . 2 .]" 1
289 1 41 LYS H 1 44 LYS H 5.200 4.000 5.200 4.917 4.829 5.076 . 0 0 "[ . 1 . 2 .]" 1
290 1 43 LEU H 1 44 LYS H 3.000 2.600 3.000 2.993 2.866 3.106 0.106 2 0 "[ . 1 . 2 .]" 1
291 1 44 LYS H 1 46 VAL H 4.000 4.000 4.400 4.442 4.370 4.502 0.102 15 0 "[ . 1 . 2 .]" 1
292 1 42 ASN H 1 44 LYS H 4.000 4.000 4.400 4.202 3.991 4.406 0.009 4 0 "[ . 1 . 2 .]" 1
293 1 44 LYS H 1 44 LYS HG3 3.800 2.500 3.800 3.057 2.469 3.932 0.132 2 0 "[ . 1 . 2 .]" 1
294 1 44 LYS H 1 44 LYS HG2 3.800 2.500 3.800 3.425 2.479 3.847 0.047 24 0 "[ . 1 . 2 .]" 1
295 1 41 LYS HA 1 44 LYS H 4.500 3.500 4.500 3.473 3.388 3.721 0.112 14 0 "[ . 1 . 2 .]" 1
296 1 44 LYS H 1 44 LYS HA 3.000 . 3.000 2.919 2.860 2.997 . 0 0 "[ . 1 . 2 .]" 1
297 1 40 PHE HA 1 44 LYS H 4.400 4.000 4.400 4.394 4.346 4.439 0.039 14 0 "[ . 1 . 2 .]" 1
298 1 45 ARG H 1 46 VAL H 3.000 2.600 3.000 2.849 2.686 3.013 0.013 4 0 "[ . 1 . 2 .]" 1
299 1 44 LYS HA 1 45 ARG H 3.700 3.200 3.700 3.594 3.502 3.703 0.003 20 0 "[ . 1 . 2 .]" 1
300 1 45 ARG H 1 47 ALA H 4.000 4.000 4.400 4.242 4.110 4.407 0.007 20 0 "[ . 1 . 2 .]" 1
301 1 45 ARG H 1 45 ARG HA 3.000 . 3.000 2.969 2.931 3.012 0.012 3 0 "[ . 1 . 2 .]" 1
302 1 41 LYS HA 1 45 ARG H 5.000 3.800 5.000 4.483 4.286 4.673 . 0 0 "[ . 1 . 2 .]" 1
303 1 44 LYS HG2 1 45 ARG H 5.000 3.000 5.000 4.639 2.910 5.056 0.090 2 0 "[ . 1 . 2 .]" 1
304 1 44 LYS HG3 1 45 ARG H 5.000 3.000 5.000 4.475 3.123 4.902 . 0 0 "[ . 1 . 2 .]" 1
305 1 45 ARG H 1 45 ARG QB 3.800 3.000 4.800 2.716 2.313 3.103 0.687 21 3 "[ . 1 -. 2+ * .]" 1
306 1 45 ARG H 1 45 ARG QG 3.800 3.000 4.800 2.714 2.367 3.693 0.633 18 7 "[ * ** 1 .*-+ 2 * .]" 1
307 1 44 LYS QB 1 45 ARG H 3.800 3.000 4.800 2.800 2.485 3.956 0.515 23 4 "[* - . 1 . 2* + .]" 1
308 1 43 LEU HA 1 45 ARG H 4.600 4.200 4.600 4.582 4.446 4.639 0.039 19 0 "[ . 1 . 2 .]" 1
309 1 46 VAL H 1 46 VAL HA 3.000 . 3.000 2.968 2.851 3.033 0.033 12 0 "[ . 1 . 2 .]" 1
310 1 46 VAL H 1 47 ALA H 3.000 2.600 3.000 2.652 2.574 2.811 0.026 3 0 "[ . 1 . 2 .]" 1
311 1 46 VAL H 1 46 VAL HB 3.500 . 3.500 3.087 2.502 3.662 0.162 23 0 "[ . 1 . 2 .]" 1
312 1 46 VAL H 1 46 VAL QG 3.500 3.000 4.500 2.229 1.881 2.376 1.119 24 25 [***********-***********+*] 1
313 1 44 LYS HA 1 46 VAL H 4.600 4.200 4.600 4.598 4.427 4.674 0.074 21 0 "[ . 1 . 2 .]" 1
314 1 45 ARG QG 1 46 VAL H 3.500 2.200 4.500 3.654 2.254 4.216 . 0 0 "[ . 1 . 2 .]" 1
315 1 46 VAL HA 1 50 LEU QD 5.000 3.800 6.000 3.676 2.539 4.392 1.261 4 7 "[ +. * 1 .*** 2 * -]" 1
316 1 46 VAL HA 1 49 GLU QG 5.000 3.800 6.000 4.151 3.385 5.389 0.415 15 0 "[ . 1 . 2 .]" 1
317 1 46 VAL HA 1 47 ALA MB 5.000 3.800 6.000 5.027 5.002 5.058 . 0 0 "[ . 1 . 2 .]" 1
318 1 46 VAL HA 1 49 GLU QB 5.542 . 5.542 2.353 2.006 3.289 . 0 0 "[ . 1 . 2 .]" 1
319 1 47 ALA H 1 47 ALA HA 3.000 . 3.000 2.926 2.875 2.982 . 0 0 "[ . 1 . 2 .]" 1
320 1 47 ALA H 1 48 LYS H 3.000 2.600 3.000 2.961 2.768 3.060 0.060 24 0 "[ . 1 . 2 .]" 1
321 1 47 ALA H 1 49 GLU H 4.500 3.500 4.500 4.263 4.012 4.532 0.032 12 0 "[ . 1 . 2 .]" 1
322 1 47 ALA H 1 50 LEU H 5.200 4.500 5.200 5.078 4.696 5.319 0.119 18 0 "[ . 1 . 2 .]" 1
323 1 44 LYS HA 1 47 ALA H 3.600 3.200 3.600 3.545 3.205 3.708 0.108 18 0 "[ . 1 . 2 .]" 1
324 1 46 VAL QG 1 47 ALA H 3.800 3.000 4.800 3.179 2.185 3.581 0.815 23 2 "[ . 1 . 2- + .]" 1
325 1 46 VAL HA 1 47 ALA H 3.700 3.300 3.700 3.523 3.387 3.585 . 0 0 "[ . 1 . 2 .]" 1
326 1 48 LYS H 1 48 LYS HA 3.000 . 3.000 2.988 2.935 3.028 0.028 18 0 "[ . 1 . 2 .]" 1
327 1 48 LYS H 1 48 LYS QB 3.000 . 4.000 2.580 2.209 3.004 . 0 0 "[ . 1 . 2 .]" 1
328 1 48 LYS H 1 48 LYS QD 3.000 . 4.000 3.452 2.398 3.702 . 0 0 "[ . 1 . 2 .]" 1
329 1 48 LYS H 1 48 LYS QG 3.000 . 4.000 2.492 2.032 3.697 . 0 0 "[ . 1 . 2 .]" 1
330 1 49 GLU H 1 49 GLU HA 3.000 . 3.000 2.922 2.826 2.985 . 0 0 "[ . 1 . 2 .]" 1
331 1 49 GLU H 1 50 LEU H 3.500 . 3.500 3.006 2.727 3.364 . 0 0 "[ . 1 . 2 .]" 1
332 1 48 LYS H 1 49 GLU H 3.000 2.600 3.000 2.750 2.617 2.896 . 0 0 "[ . 1 . 2 .]" 1
333 1 46 VAL HA 1 49 GLU H 3.600 3.200 3.600 3.307 3.108 3.638 0.092 11 0 "[ . 1 . 2 .]" 1
334 1 49 GLU H 1 49 GLU QB 3.800 . 3.800 2.250 2.043 2.534 . 0 0 "[ . 1 . 2 .]" 1
335 1 48 LYS HA 1 49 GLU H 5.000 3.600 5.000 3.601 3.550 3.648 0.050 11 0 "[ . 1 . 2 .]" 1
336 1 46 VAL HB 1 50 LEU QD 3.800 2.500 4.800 3.380 2.365 3.850 0.135 18 0 "[ . 1 . 2 .]" 1
337 1 50 LEU H 1 50 LEU HA 3.000 . 3.000 2.846 2.607 2.985 . 0 0 "[ . 1 . 2 .]" 1
338 1 49 GLU HA 1 50 LEU H 3.500 2.500 3.500 3.584 3.515 3.715 0.215 11 0 "[ . 1 . 2 .]" 1
339 1 46 VAL HA 1 50 LEU H 5.000 3.800 5.000 3.796 3.620 4.075 0.180 23 0 "[ . 1 . 2 .]" 1
340 1 49 GLU QG 1 50 LEU H 5.000 3.800 6.000 4.370 3.563 4.828 0.237 22 0 "[ . 1 . 2 .]" 1
341 1 50 LEU H 1 50 LEU HB2 3.500 . 3.500 2.095 1.791 2.346 0.009 15 0 "[ . 1 . 2 .]" 1
342 1 50 LEU H 1 50 LEU HB3 3.500 . 3.500 3.328 1.780 3.551 0.051 10 0 "[ . 1 . 2 .]" 1
343 1 50 LEU HA 1 50 LEU QD 3.500 3.000 4.500 2.204 2.033 2.514 0.967 22 23 "[************* *-* ***+***]" 1
344 1 50 LEU H 1 50 LEU QD 3.500 2.800 4.500 2.915 1.746 3.422 1.054 16 7 "[ *. 1 -.+** 2 * *]" 1
345 1 50 LEU H 1 51 GLY H 3.000 . 3.000 2.917 2.382 3.064 0.064 7 0 "[ . 1 . 2 .]" 1
346 1 50 LEU HA 1 51 GLY H 5.000 3.000 5.000 3.419 3.176 3.517 . 0 0 "[ . 1 . 2 .]" 1
347 1 51 GLY HA3 1 52 GLU H 5.000 3.000 5.000 3.009 2.910 3.523 0.090 22 0 "[ . 1 . 2 .]" 1
348 1 51 GLY HA2 1 52 GLU H 5.000 3.000 5.000 3.549 2.977 3.707 0.023 23 0 "[ . 1 . 2 .]" 1
349 1 50 LEU H 1 52 GLU H 5.000 3.800 5.000 4.904 3.978 5.138 0.138 17 0 "[ . 1 . 2 .]" 1
350 1 50 LEU HB2 1 52 GLU H 4.000 . 4.000 3.780 2.805 4.224 0.224 15 0 "[ . 1 . 2 .]" 1
351 1 50 LEU HB3 1 52 GLU H 4.000 . 4.000 3.466 2.536 4.117 0.117 7 0 "[ . 1 . 2 .]" 1
352 1 52 GLU HA 1 53 ASN H 3.000 . 3.000 2.227 2.092 2.676 . 0 0 "[ . 1 . 2 .]" 1
353 1 52 GLU QG 1 53 ASN H 5.000 3.800 6.000 3.836 3.050 5.116 0.750 6 6 "[ * .+ 1* * 2 - *.]" 1
354 1 52 GLU QB 1 53 ASN H 5.000 3.800 6.000 3.744 3.167 4.075 0.633 10 3 "[ . - + . 2 * .]" 1
355 1 47 ALA MB 1 53 ASN HD21 3.800 3.000 4.800 3.903 2.429 4.828 0.571 7 2 "[ - . + 1 . 2 .]" 1
356 1 52 GLU H 1 53 ASN H 5.000 3.800 5.000 4.063 3.747 4.603 0.053 14 0 "[ . 1 . 2 .]" 1
357 1 55 THR H 1 56 ASP H 5.000 3.800 5.000 4.332 4.186 4.609 . 0 0 "[ . 1 . 2 .]" 1
358 1 55 THR H 1 58 GLU H 4.500 3.200 4.500 3.853 3.552 4.133 . 0 0 "[ . 1 . 2 .]" 1
359 1 54 LEU H 1 55 THR H 5.200 3.800 5.200 4.219 3.771 4.807 0.029 20 0 "[ . 1 . 2 .]" 1
360 1 55 THR H 1 55 THR MG 3.000 . 4.000 2.813 2.423 3.432 . 0 0 "[ . 1 . 2 .]" 1
361 1 55 THR H 1 58 GLU QB 4.000 3.000 5.000 2.493 2.213 4.435 0.787 17 17 "[******** - ***.*+ 2 ***.]" 1
362 1 54 LEU HG 1 55 THR H 3.800 3.000 3.800 3.495 2.906 3.997 0.197 20 0 "[ . 1 . 2 .]" 1
363 1 55 THR H 1 59 LEU QD 5.000 3.800 6.000 3.501 2.971 4.170 0.829 11 8 "[ .* * 1+ * * * *- .]" 1
364 1 54 LEU HA 1 55 THR H 3.800 2.500 3.800 3.162 2.471 3.604 0.029 16 0 "[ . 1 . 2 .]" 1
365 1 55 THR H 1 58 GLU HG3 4.000 2.500 4.000 3.402 2.473 4.069 0.069 18 0 "[ . 1 . 2 .]" 1
366 1 55 THR H 1 58 GLU HG2 4.000 2.500 4.000 3.771 3.040 4.108 0.108 16 0 "[ . 1 . 2 .]" 1
367 1 54 LEU QD 1 55 THR H 3.800 3.800 4.800 3.234 2.247 3.708 1.553 22 11 "[ .** *- * ** ** 2 + *]" 1
368 1 55 THR HA 1 59 LEU QD 5.000 3.800 6.000 4.012 3.244 4.364 0.556 21 1 "[ . 1 . 2+ .]" 1
369 1 55 THR H 1 57 GLU H 5.000 3.800 5.000 5.066 4.867 5.156 0.156 20 0 "[ . 1 . 2 .]" 1
370 1 56 ASP H 1 56 ASP HA 3.800 3.000 3.800 2.908 2.870 2.999 0.130 19 0 "[ . 1 . 2 .]" 1
371 1 56 ASP H 1 57 GLU H 3.000 2.600 3.000 2.556 2.406 2.589 0.194 13 0 "[ . 1 . 2 .]" 1
372 1 55 THR MG 1 56 ASP H 3.500 2.500 4.500 2.957 2.314 3.694 0.186 22 0 "[ . 1 . 2 .]" 1
373 1 56 ASP H 1 58 GLU H 4.000 4.000 4.400 4.190 3.975 4.420 0.025 13 0 "[ . 1 . 2 .]" 1
374 1 56 ASP H 1 59 LEU H 5.200 4.200 5.200 5.086 4.876 5.208 0.008 11 0 "[ . 1 . 2 .]" 1
375 1 55 THR HA 1 56 ASP H 3.000 . 3.000 2.413 2.214 2.615 . 0 0 "[ . 1 . 2 .]" 1
376 1 56 ASP H 1 56 ASP HB3 3.500 3.000 3.500 2.940 2.886 3.583 0.114 20 0 "[ . 1 . 2 .]" 1
377 1 56 ASP H 1 56 ASP HB2 3.500 3.000 3.500 3.455 2.778 3.622 0.222 13 0 "[ . 1 . 2 .]" 1
378 1 56 ASP H 1 57 GLU HG3 5.000 3.800 5.000 5.026 5.002 5.195 0.195 13 0 "[ . 1 . 2 .]" 1
379 1 56 ASP H 1 57 GLU HG2 5.000 3.800 5.000 4.807 4.337 5.048 0.048 17 0 "[ . 1 . 2 .]" 1
380 1 57 GLU H 1 57 GLU HA 3.000 . 3.000 2.967 2.927 2.991 . 0 0 "[ . 1 . 2 .]" 1
381 1 56 ASP HA 1 57 GLU H 3.700 3.300 3.700 3.430 3.270 3.561 0.030 11 0 "[ . 1 . 2 .]" 1
382 1 57 GLU H 1 59 LEU H 4.000 4.000 4.400 4.422 4.335 4.500 0.100 13 0 "[ . 1 . 2 .]" 1
383 1 57 GLU H 1 58 GLU H 3.000 2.600 3.000 2.660 2.571 2.911 0.029 1 0 "[ . 1 . 2 .]" 1
384 1 57 GLU H 1 60 GLN H 5.200 4.000 5.200 4.751 4.576 4.946 . 0 0 "[ . 1 . 2 .]" 1
385 1 55 THR HA 1 57 GLU H 4.600 4.200 4.600 4.524 4.289 4.644 0.044 14 0 "[ . 1 . 2 .]" 1
386 1 55 THR HB 1 57 GLU H 5.000 3.000 5.000 4.887 4.695 5.026 0.026 13 0 "[ . 1 . 2 .]" 1
387 1 56 ASP HB3 1 57 GLU H 3.800 3.000 3.800 3.807 2.907 3.964 0.164 16 0 "[ . 1 . 2 .]" 1
388 1 56 ASP HB2 1 57 GLU H 3.800 3.000 3.800 3.345 3.156 3.951 0.151 9 0 "[ . 1 . 2 .]" 1
389 1 40 PHE HZ 1 57 GLU H 5.000 3.800 5.000 4.881 4.447 5.108 0.108 11 0 "[ . 1 . 2 .]" 1
390 1 55 THR MG 1 57 GLU H 3.800 3.000 4.800 2.451 2.173 3.340 0.827 8 18 "[ * ***-+ * * ** ****** **]" 1
391 1 57 GLU H 1 57 GLU HG3 3.800 3.000 3.800 3.187 3.097 3.538 . 0 0 "[ . 1 . 2 .]" 1
392 1 57 GLU H 1 57 GLU HG2 3.800 3.000 3.800 2.936 2.908 2.977 0.092 6 0 "[ . 1 . 2 .]" 1
393 1 57 GLU H 1 57 GLU HB3 3.500 . 3.500 3.147 2.603 3.601 0.101 15 0 "[ . 1 . 2 .]" 1
394 1 57 GLU H 1 57 GLU HB2 3.500 . 3.500 2.975 2.331 3.657 0.157 20 0 "[ . 1 . 2 .]" 1
395 1 40 PHE QE 1 56 ASP H 5.000 3.800 7.000 5.833 5.250 6.011 . 0 0 "[ . 1 . 2 .]" 1
396 1 58 GLU H 1 58 GLU HA 3.000 . 3.000 2.972 2.949 3.005 0.005 11 0 "[ . 1 . 2 .]" 1
397 1 55 THR MG 1 58 GLU H 3.800 3.000 4.800 2.300 2.124 2.502 0.876 1 24 "[+****** **********-******]" 1
398 1 55 THR HB 1 58 GLU H 5.000 3.800 5.000 4.951 3.781 5.050 0.050 21 0 "[ . 1 . 2 .]" 1
399 1 55 THR HA 1 58 GLU H 5.000 3.800 5.000 4.987 4.907 5.030 0.030 24 0 "[ . 1 . 2 .]" 1
400 1 56 ASP HA 1 58 GLU H 4.600 4.200 4.600 4.645 4.605 4.681 0.081 14 0 "[ . 1 . 2 .]" 1
401 1 58 GLU H 1 59 LEU H 3.500 3.000 3.500 2.942 2.910 2.995 0.090 11 0 "[ . 1 . 2 .]" 1
402 1 59 LEU H 1 61 GLU H 4.000 4.000 4.400 4.450 4.410 4.533 0.133 6 0 "[ . 1 . 2 .]" 1
403 1 59 LEU H 1 59 LEU QD 3.500 3.000 4.500 2.656 2.066 3.031 0.934 21 7 "[ .* * 1 - * * *+ .]" 1
404 1 56 ASP HA 1 59 LEU QD 3.800 3.800 4.800 2.552 2.132 3.003 1.668 23 25 [**********-***********+**] 1
405 1 56 ASP HB3 1 59 LEU QD 5.000 3.500 6.000 4.263 3.745 4.785 . 0 0 "[ . 1 . 2 .]" 1
406 1 56 ASP HB2 1 59 LEU QD 5.000 3.500 6.000 4.544 4.135 4.718 . 0 0 "[ . 1 . 2 .]" 1
407 1 56 ASP HA 1 59 LEU HG 5.000 3.000 5.000 3.611 2.918 5.100 0.100 18 0 "[ . 1 . 2 .]" 1
408 1 59 LEU HA 1 59 LEU QD 3.800 3.000 4.000 2.723 2.335 3.088 0.665 16 3 "[ . 1 *.+ 2 - .]" 1
409 1 58 GLU HG3 1 59 LEU H 5.000 3.000 5.000 4.098 2.993 5.027 0.027 8 0 "[ . 1 . 2 .]" 1
410 1 58 GLU HG2 1 59 LEU H 5.000 3.000 5.000 4.650 4.074 4.989 . 0 0 "[ . 1 . 2 .]" 1
411 1 59 LEU H 1 59 LEU QB 3.000 2.800 3.500 2.680 2.605 2.802 0.195 21 0 "[ . 1 . 2 .]" 1
412 1 56 ASP HA 1 59 LEU H 4.400 4.000 4.400 3.980 3.907 4.056 0.093 11 0 "[ . 1 . 2 .]" 1
413 1 60 GLN HA 1 60 GLN HE22 5.000 3.500 5.000 3.287 2.955 3.622 0.545 8 10 "[ * -***+ * * . * *2 .]" 1
414 1 60 GLN HA 1 60 GLN HE21 3.800 3.000 3.800 3.358 3.326 3.403 . 0 0 "[ . 1 . 2 .]" 1
415 1 60 GLN QB 1 60 GLN HE21 3.800 3.000 4.800 4.201 4.147 4.281 . 0 0 "[ . 1 . 2 .]" 1
416 1 60 GLN QB 1 60 GLN HE22 3.800 3.000 4.800 4.131 3.779 4.334 . 0 0 "[ . 1 . 2 .]" 1
417 1 60 GLN HE22 1 60 GLN HG2 3.800 2.400 3.800 3.719 3.476 3.898 0.098 22 0 "[ . 1 . 2 .]" 1
418 1 60 GLN HE22 1 60 GLN HG3 3.800 2.400 3.800 3.628 3.308 3.880 0.080 15 0 "[ . 1 . 2 .]" 1
419 1 60 GLN HE22 1 63 ILE MD 3.800 3.000 4.800 3.946 3.646 4.076 . 0 0 "[ . 1 . 2 .]" 1
420 1 60 GLN HE21 1 63 ILE MD 3.800 3.000 4.800 4.083 3.981 4.186 . 0 0 "[ . 1 . 2 .]" 1
421 1 59 LEU H 1 60 GLN H 3.000 2.600 3.000 2.891 2.697 3.041 0.041 15 0 "[ . 1 . 2 .]" 1
422 1 60 GLN H 1 61 GLU H 3.000 2.600 3.000 2.710 2.611 2.856 . 0 0 "[ . 1 . 2 .]" 1
423 1 58 GLU H 1 60 GLN H 4.400 4.000 4.400 4.132 3.985 4.402 0.015 7 0 "[ . 1 . 2 .]" 1
424 1 60 GLN H 1 62 MET H 4.000 4.000 4.400 4.203 4.079 4.411 0.011 15 0 "[ . 1 . 2 .]" 1
425 1 59 LEU QD 1 60 GLN H 4.500 3.800 5.500 4.027 3.903 4.145 . 0 0 "[ . 1 . 2 .]" 1
426 1 59 LEU QB 1 60 GLN H 5.552 . 5.552 2.532 2.260 2.752 . 0 0 "[ . 1 . 2 .]" 1
427 1 59 LEU HG 1 60 GLN H 5.000 3.800 5.000 4.316 3.936 4.905 . 0 0 "[ . 1 . 2 .]" 1
428 1 60 GLN H 1 60 GLN QB 3.000 . 4.000 2.434 2.342 2.518 . 0 0 "[ . 1 . 2 .]" 1
429 1 60 GLN H 1 60 GLN HG2 5.000 . 5.000 4.581 4.025 5.007 0.007 19 0 "[ . 1 . 2 .]" 1
430 1 60 GLN H 1 60 GLN HG3 5.000 . 5.000 4.772 4.728 4.837 . 0 0 "[ . 1 . 2 .]" 1
431 1 60 GLN HE21 1 60 GLN HG3 3.800 2.200 3.800 2.920 2.477 3.427 . 0 0 "[ . 1 . 2 .]" 1
432 1 60 GLN HE21 1 60 GLN HG2 3.800 2.200 3.800 3.058 2.384 3.811 0.011 8 0 "[ . 1 . 2 .]" 1
433 1 61 GLU H 1 62 MET H 3.000 2.600 3.000 2.701 2.593 2.847 0.007 13 0 "[ . 1 . 2 .]" 1
434 1 61 GLU H 1 63 ILE H 4.000 4.000 4.400 4.177 4.043 4.315 . 0 0 "[ . 1 . 2 .]" 1
435 1 61 GLU H 1 61 GLU HA 3.000 . 3.000 2.987 2.932 3.042 0.042 6 0 "[ . 1 . 2 .]" 1
436 1 61 GLU H 1 61 GLU HG3 5.257 . 5.257 4.017 2.572 4.708 . 0 0 "[ . 1 . 2 .]" 1
437 1 61 GLU HA 1 64 ASP HB3 3.800 3.000 3.800 3.275 2.942 4.017 0.217 5 0 "[ . 1 . 2 .]" 1
438 1 61 GLU HA 1 64 ASP HB2 3.800 3.000 3.800 3.607 2.840 4.006 0.206 6 0 "[ . 1 . 2 .]" 1
439 1 62 MET H 1 63 ILE H 3.000 2.600 3.000 2.807 2.682 2.910 . 0 0 "[ . 1 . 2 .]" 1
440 1 62 MET H 1 65 GLU H 5.200 4.000 5.200 5.060 4.876 5.147 . 0 0 "[ . 1 . 2 .]" 1
441 1 62 MET H 1 62 MET HA 3.000 . 3.000 2.956 2.883 3.001 0.001 15 0 "[ . 1 . 2 .]" 1
442 1 62 MET H 1 62 MET QG 3.000 . 4.000 2.799 2.245 3.666 . 0 0 "[ . 1 . 2 .]" 1
443 1 60 GLN HA 1 62 MET H 4.600 4.200 4.600 4.286 4.182 4.407 0.018 11 0 "[ . 1 . 2 .]" 1
444 1 59 LEU HA 1 62 MET H 3.600 3.200 3.600 3.584 3.382 3.657 0.057 14 0 "[ . 1 . 2 .]" 1
445 1 63 ILE H 1 65 GLU H 4.000 4.000 4.400 4.385 4.201 4.438 0.038 12 0 "[ . 1 . 2 .]" 1
446 1 62 MET HA 1 63 ILE H 3.700 3.300 3.700 3.588 3.543 3.638 . 0 0 "[ . 1 . 2 .]" 1
447 1 63 ILE H 1 63 ILE HG12 5.548 . 5.548 2.915 2.656 3.257 . 0 0 "[ . 1 . 2 .]" 1
448 1 63 ILE H 1 63 ILE HB 3.000 . 3.000 2.339 2.282 2.416 . 0 0 "[ . 1 . 2 .]" 1
449 1 63 ILE H 1 63 ILE MG 3.500 2.500 4.500 3.893 3.836 3.934 . 0 0 "[ . 1 . 2 .]" 1
450 1 60 GLN HA 1 63 ILE H 3.600 3.200 3.600 3.115 3.075 3.150 0.125 1 0 "[ . 1 . 2 .]" 1
451 1 63 ILE MG 1 64 ASP HA 3.800 3.000 4.800 3.135 2.966 3.319 0.034 19 0 "[ . 1 . 2 .]" 1
452 1 64 ASP H 1 64 ASP HA 3.000 . 3.000 2.922 2.817 3.009 0.009 4 0 "[ . 1 . 2 .]" 1
453 1 64 ASP H 1 64 ASP HB3 3.500 2.500 3.500 3.002 2.424 3.580 0.080 5 0 "[ . 1 . 2 .]" 1
454 1 64 ASP H 1 64 ASP HB2 3.500 2.500 3.500 2.721 2.447 3.560 0.060 12 0 "[ . 1 . 2 .]" 1
455 1 63 ILE HB 1 64 ASP H 3.200 2.500 3.200 2.641 2.497 2.856 0.003 15 0 "[ . 1 . 2 .]" 1
456 1 62 MET H 1 64 ASP H 4.000 4.000 4.400 4.439 4.405 4.478 0.078 19 0 "[ . 1 . 2 .]" 1
457 1 64 ASP H 1 66 ALA H 4.000 4.000 4.400 4.472 4.443 4.517 0.117 5 0 "[ . 1 . 2 .]" 1
458 1 63 ILE H 1 64 ASP H 3.000 2.600 3.000 2.753 2.600 2.898 . 0 0 "[ . 1 . 2 .]" 1
459 1 64 ASP H 1 65 GLU H 3.000 2.600 3.000 2.972 2.840 3.027 0.027 7 0 "[ . 1 . 2 .]" 1
460 1 63 ILE HA 1 64 ASP H 3.700 3.300 3.700 3.537 3.486 3.599 . 0 0 "[ . 1 . 2 .]" 1
461 1 61 GLU HA 1 64 ASP H 3.600 3.200 3.600 3.458 3.183 3.622 0.022 15 0 "[ . 1 . 2 .]" 1
462 1 63 ILE HG12 1 64 ASP H 6.748 2.052 6.748 4.653 4.480 4.844 . 0 0 "[ . 1 . 2 .]" 1
463 1 63 ILE MG 1 64 ASP H 3.500 2.500 4.500 2.930 2.744 3.143 . 0 0 "[ . 1 . 2 .]" 1
464 1 60 GLN HA 1 64 ASP H 4.400 4.000 4.400 4.035 3.949 4.316 0.051 12 0 "[ . 1 . 2 .]" 1
465 1 60 GLN HE21 1 64 ASP H 5.000 3.800 5.000 4.487 3.723 5.152 0.152 15 0 "[ . 1 . 2 .]" 1
466 1 60 GLN HE22 1 64 ASP H 5.000 3.800 5.000 4.532 3.764 5.151 0.151 21 0 "[ . 1 . 2 .]" 1
467 1 64 ASP HA 1 67 ASP QB 3.800 3.000 3.800 2.865 2.801 2.967 0.199 13 0 "[ . 1 . 2 .]" 1
468 1 65 GLU H 1 66 ALA H 3.800 3.000 3.800 2.862 2.802 2.914 0.198 5 0 "[ . 1 . 2 .]" 1
469 1 64 ASP HB3 1 65 GLU H 3.800 3.000 3.800 3.147 2.884 3.844 0.116 3 0 "[ . 1 . 2 .]" 1
470 1 64 ASP HB2 1 65 GLU H 3.800 3.000 3.800 3.812 2.881 3.894 0.119 5 0 "[ . 1 . 2 .]" 1
471 1 65 GLU H 1 65 GLU QB 3.000 . 4.000 2.718 2.303 3.017 . 0 0 "[ . 1 . 2 .]" 1
472 1 65 GLU H 1 65 GLU HG2 3.500 . 3.500 2.947 2.071 3.605 0.105 15 0 "[ . 1 . 2 .]" 1
473 1 65 GLU H 1 65 GLU HG3 3.500 . 3.500 3.103 2.357 3.541 0.041 3 0 "[ . 1 . 2 .]" 1
474 1 63 ILE HA 1 65 GLU H 4.600 4.200 4.600 4.684 4.646 4.737 0.137 7 0 "[ . 1 . 2 .]" 1
475 1 66 ALA H 1 66 ALA MB 3.000 . 4.000 2.202 2.060 2.349 . 0 0 "[ . 1 . 2 .]" 1
476 1 66 ALA H 1 66 ALA HA 3.000 . 3.000 2.915 2.871 2.976 . 0 0 "[ . 1 . 2 .]" 1
477 1 65 GLU HG3 1 66 ALA H 3.800 . 3.800 2.594 2.095 4.013 0.213 3 0 "[ . 1 . 2 .]" 1
478 1 65 GLU HG2 1 66 ALA H 3.800 . 3.800 3.639 2.913 4.011 0.211 3 0 "[ . 1 . 2 .]" 1
479 1 64 ASP HA 1 66 ALA H 4.600 4.200 4.600 4.640 4.522 4.711 0.111 3 0 "[ . 1 . 2 .]" 1
480 1 63 ILE HA 1 66 ALA H 5.000 3.800 5.000 3.694 3.653 3.758 0.147 2 0 "[ . 1 . 2 .]" 1
481 1 63 ILE HA 1 66 ALA MB 3.800 3.000 4.800 2.485 2.291 2.617 0.709 20 14 "[ * . ***1** ** -*+** *.]" 1
482 1 66 ALA H 1 67 ASP H 3.000 . 3.000 2.904 2.765 3.047 0.047 3 0 "[ . 1 . 2 .]" 1
483 1 65 GLU H 1 67 ASP H 5.000 3.800 5.000 4.442 4.198 4.561 . 0 0 "[ . 1 . 2 .]" 1
484 1 66 ALA HA 1 67 ASP H 3.800 3.000 3.800 3.550 3.352 3.595 . 0 0 "[ . 1 . 2 .]" 1
485 1 66 ALA MB 1 67 ASP H 3.000 . 4.000 2.639 2.372 3.170 . 0 0 "[ . 1 . 2 .]" 1
486 1 64 ASP HA 1 67 ASP H 3.800 3.000 3.800 3.633 3.142 3.816 0.016 7 0 "[ . 1 . 2 .]" 1
487 1 67 ASP H 1 74 VAL QG 5.000 3.500 6.000 3.513 3.166 4.195 0.334 8 0 "[ . 1 . 2 .]" 1
488 1 63 ILE HA 1 67 ASP H 5.000 3.800 5.000 3.839 3.740 4.491 0.060 8 0 "[ . 1 . 2 .]" 1
489 1 63 ILE MG 1 67 ASP H 5.000 3.800 6.000 3.808 3.527 4.511 0.273 16 0 "[ . 1 . 2 .]" 1
490 1 63 ILE MG 1 67 ASP HA 5.000 3.800 6.000 4.572 4.095 4.854 . 0 0 "[ . 1 . 2 .]" 1
491 1 67 ASP QB 1 68 ARG H 5.000 3.800 5.000 4.236 4.060 4.370 . 0 0 "[ . 1 . 2 .]" 1
492 1 68 ARG H 1 68 ARG HA 3.000 . 3.000 2.896 2.635 2.980 . 0 0 "[ . 1 . 2 .]" 1
493 1 68 ARG H 1 68 ARG QG 3.800 3.000 4.800 3.831 2.378 4.183 0.622 12 1 "[ . 1 + . 2 .]" 1
494 1 68 ARG H 1 68 ARG HB2 3.000 . 3.000 2.144 1.901 2.377 . 0 0 "[ . 1 . 2 .]" 1
495 1 68 ARG H 1 68 ARG HB3 3.000 . 3.000 3.004 2.192 3.247 0.247 12 0 "[ . 1 . 2 .]" 1
496 1 67 ASP H 1 68 ARG H 5.000 3.800 5.000 3.998 3.709 4.499 0.091 16 0 "[ . 1 . 2 .]" 1
497 1 67 ASP HA 1 68 ARG H 3.800 3.000 3.800 2.933 2.833 3.076 0.167 5 0 "[ . 1 . 2 .]" 1
498 1 68 ARG H 1 70 GLY H 4.500 3.500 4.500 4.306 4.018 4.545 0.045 17 0 "[ . 1 . 2 .]" 1
499 1 69 ASP H 1 69 ASP HA 3.000 . 3.000 2.999 2.870 3.066 0.066 4 0 "[ . 1 . 2 .]" 1
500 1 69 ASP H 1 69 ASP HB3 3.800 2.500 3.800 3.298 2.644 3.893 0.093 18 0 "[ . 1 . 2 .]" 1
501 1 69 ASP H 1 69 ASP HB2 3.800 2.500 3.800 2.823 2.448 3.760 0.052 17 0 "[ . 1 . 2 .]" 1
502 1 68 ARG HB3 1 69 ASP H 3.800 2.500 3.800 3.068 2.567 3.545 . 0 0 "[ . 1 . 2 .]" 1
503 1 68 ARG HB2 1 69 ASP H 3.800 2.500 3.800 3.562 2.834 3.895 0.095 18 0 "[ . 1 . 2 .]" 1
504 1 70 GLY H 1 70 GLY HA3 3.000 . 3.000 2.800 2.284 3.057 0.057 25 0 "[ . 1 . 2 .]" 1
505 1 70 GLY H 1 70 GLY HA2 3.000 . 3.000 2.655 2.373 3.037 0.037 8 0 "[ . 1 . 2 .]" 1
506 1 68 ARG HA 1 70 GLY H 5.000 3.500 5.000 4.211 3.659 4.890 . 0 0 "[ . 1 . 2 .]" 1
507 1 69 ASP HA 1 70 GLY H 4.000 3.000 4.000 3.376 2.960 3.667 0.040 18 0 "[ . 1 . 2 .]" 1
508 1 67 ASP HA 1 70 GLY H 5.000 3.800 5.000 4.001 3.785 4.298 0.015 16 0 "[ . 1 . 2 .]" 1
509 1 70 GLY H 1 71 ASP H 3.800 2.500 3.800 3.198 2.496 4.018 0.218 9 0 "[ . 1 . 2 .]" 1
510 1 71 ASP H 1 72 GLY HA2 5.200 3.800 5.200 4.762 3.956 5.083 . 0 0 "[ . 1 . 2 .]" 1
511 1 71 ASP H 1 72 GLY HA3 5.200 3.800 5.200 5.045 4.526 5.265 0.065 5 0 "[ . 1 . 2 .]" 1
512 1 70 GLY HA3 1 71 ASP H 3.500 2.500 3.500 3.134 2.531 3.614 0.114 12 0 "[ . 1 . 2 .]" 1
513 1 70 GLY HA2 1 71 ASP H 3.800 2.800 3.800 3.006 2.361 3.580 0.439 10 0 "[ . 1 . 2 .]" 1
514 1 71 ASP H 1 71 ASP HB3 3.800 3.000 3.800 3.477 2.950 3.887 0.087 1 0 "[ . 1 . 2 .]" 1
515 1 71 ASP H 1 71 ASP HB2 3.800 3.000 3.800 3.310 2.898 3.933 0.133 14 0 "[ . 1 . 2 .]" 1
516 1 71 ASP H 1 72 GLY H 3.500 2.500 3.500 2.478 2.412 2.824 0.088 16 0 "[ . 1 . 2 .]" 1
517 1 71 ASP HA 1 72 GLY H 5.000 3.500 5.000 3.450 3.288 3.605 0.212 19 0 "[ . 1 . 2 .]" 1
518 1 72 GLY H 1 73 GLU H 3.000 . 3.000 2.297 1.950 2.733 . 0 0 "[ . 1 . 2 .]" 1
519 1 70 GLY H 1 72 GLY H 5.000 3.800 5.000 4.353 3.834 5.086 0.086 8 0 "[ . 1 . 2 .]" 1
520 1 72 GLY H 1 72 GLY HA3 3.800 2.500 3.800 3.035 2.983 3.085 . 0 0 "[ . 1 . 2 .]" 1
521 1 70 GLY HA3 1 72 GLY H 5.000 3.000 5.000 4.632 3.223 5.090 0.090 13 0 "[ . 1 . 2 .]" 1
522 1 70 GLY HA2 1 72 GLY H 5.000 3.000 5.000 4.328 3.507 5.131 0.131 4 0 "[ . 1 . 2 .]" 1
523 1 72 GLY H 1 72 GLY HA2 3.800 2.500 3.800 2.529 2.448 2.818 0.052 18 0 "[ . 1 . 2 .]" 1
524 1 72 GLY H 1 73 GLU HB2 6.743 2.057 6.743 6.259 5.660 6.769 0.026 23 0 "[ . 1 . 2 .]" 1
525 1 73 GLU H 1 73 GLU HA 3.000 . 3.000 2.942 2.787 3.015 0.015 20 0 "[ . 1 . 2 .]" 1
526 1 72 GLY HA2 1 73 GLU H 5.550 . 5.550 3.082 2.821 3.461 . 0 0 "[ . 1 . 2 .]" 1
527 1 73 GLU H 1 74 VAL H 5.000 3.800 5.000 4.308 3.972 4.474 . 0 0 "[ . 1 . 2 .]" 1
528 1 73 GLU HA 1 74 VAL H 2.600 . 2.600 2.221 2.040 2.495 . 0 0 "[ . 1 . 2 .]" 1
529 1 74 VAL H 1 74 VAL HA 3.000 . 3.000 3.033 3.008 3.073 0.073 8 0 "[ . 1 . 2 .]" 1
530 1 73 GLU QG 1 74 VAL H 3.800 3.000 4.800 4.208 2.589 4.448 0.411 20 0 "[ . 1 . 2 .]" 1
531 1 73 GLU HB3 1 74 VAL H 3.800 3.000 3.800 3.779 2.983 3.913 0.113 20 0 "[ . 1 . 2 .]" 1
532 1 73 GLU HB2 1 74 VAL H 3.800 3.000 3.800 2.918 2.864 2.965 0.136 20 0 "[ . 1 . 2 .]" 1
533 1 74 VAL H 1 74 VAL QG 3.800 3.000 4.200 2.135 2.041 2.256 0.959 3 25 [**+************-*********] 1
534 1 74 VAL H 1 74 VAL HB 3.500 3.000 3.500 2.972 2.928 3.061 0.072 12 0 "[ . 1 . 2 .]" 1
535 1 74 VAL HA 1 75 SER H 2.600 . 2.600 2.176 2.124 2.277 . 0 0 "[ . 1 . 2 .]" 1
536 1 75 SER H 1 75 SER HA 3.000 . 3.000 3.025 3.007 3.045 0.045 20 0 "[ . 1 . 2 .]" 1
537 1 75 SER H 1 75 SER HB2 6.763 2.037 6.763 2.968 2.289 3.815 . 0 0 "[ . 1 . 2 .]" 1
538 1 74 VAL QG 1 75 SER H 3.800 3.000 4.800 2.923 2.719 3.114 0.281 5 0 "[ . 1 . 2 .]" 1
539 1 75 SER H 1 78 GLU H 3.800 3.000 3.800 3.834 3.717 3.883 0.083 14 0 "[ . 1 . 2 .]" 1
540 1 75 SER H 1 76 GLU H 5.000 3.800 5.000 4.494 4.236 4.620 . 0 0 "[ . 1 . 2 .]" 1
541 1 75 SER H 1 79 PHE H 5.000 3.800 5.000 4.762 4.527 4.931 . 0 0 "[ . 1 . 2 .]" 1
542 1 75 SER H 1 78 GLU HB2 5.000 . 5.000 3.998 2.743 5.033 0.033 8 0 "[ . 1 . 2 .]" 1
543 1 75 SER H 1 78 GLU HB3 5.000 . 5.000 4.356 2.927 5.045 0.045 16 0 "[ . 1 . 2 .]" 1
544 1 75 SER H 1 78 GLU HG3 5.550 . 5.550 2.979 1.816 4.805 . 0 0 "[ . 1 . 2 .]" 1
545 1 76 GLU H 1 76 GLU HA 3.000 . 3.000 2.976 2.914 3.043 0.043 17 0 "[ . 1 . 2 .]" 1
546 1 76 GLU H 1 77 GLN H 3.000 2.600 3.000 2.950 2.796 3.027 0.027 18 0 "[ . 1 . 2 .]" 1
547 1 76 GLU H 1 78 GLU H 5.000 4.000 5.000 4.428 4.112 4.790 . 0 0 "[ . 1 . 2 .]" 1
548 1 75 SER HA 1 76 GLU H 3.800 2.500 3.800 2.494 2.435 2.590 0.065 5 0 "[ . 1 . 2 .]" 1
549 1 76 GLU H 1 76 GLU QB 3.800 2.800 3.800 2.651 2.393 2.705 0.407 17 0 "[ . 1 . 2 .]" 1
550 1 76 GLU H 1 76 GLU QG 3.800 3.000 4.800 3.000 2.263 4.346 0.737 4 5 "[ * +. * 1 . *2 -.]" 1
551 1 75 SER HB2 1 76 GLU H 5.563 . 5.563 3.040 2.026 3.821 . 0 0 "[ . 1 . 2 .]" 1
552 1 77 GLN H 1 77 GLN HA 3.000 . 3.000 2.945 2.847 3.010 0.010 25 0 "[ . 1 . 2 .]" 1
553 1 77 GLN H 1 78 GLU H 3.000 2.600 3.000 2.959 2.675 3.050 0.050 7 0 "[ . 1 . 2 .]" 1
554 1 77 GLN H 1 79 PHE H 4.000 4.000 4.400 4.208 4.055 4.349 . 0 0 "[ . 1 . 2 .]" 1
555 1 75 SER HA 1 77 GLN H 5.000 3.800 5.000 4.896 4.713 5.053 0.053 19 0 "[ . 1 . 2 .]" 1
556 1 78 GLU H 1 80 LEU H 4.000 4.000 4.400 4.419 4.138 4.513 0.113 8 0 "[ . 1 . 2 .]" 1
557 1 77 GLN H 1 77 GLN QG 3.000 . 4.000 2.660 2.128 3.666 . 0 0 "[ . 1 . 2 .]" 1
558 1 77 GLN H 1 77 GLN QB 3.000 . 4.000 2.604 2.223 2.917 . 0 0 "[ . 1 . 2 .]" 1
559 1 77 GLN HE21 1 77 GLN QG 3.800 3.000 4.800 2.551 2.459 2.924 0.541 15 5 "[ . * 1 +* *- .]" 1
560 1 77 GLN QB 1 77 GLN HE21 3.800 3.000 4.800 3.056 2.166 4.131 0.834 3 3 "[ + . 1* - . 2 .]" 1
561 1 77 GLN HE22 1 77 GLN QG 5.000 3.100 6.000 3.426 3.385 3.490 . 0 0 "[ . 1 . 2 .]" 1
562 1 77 GLN HA 1 80 LEU QD 3.200 . 4.200 2.112 1.763 3.010 0.037 5 0 "[ . 1 . 2 .]" 1
563 1 75 SER HB3 1 77 GLN H 5.000 3.000 5.000 4.002 3.024 5.034 0.034 18 0 "[ . 1 . 2 .]" 1
564 1 75 SER HB2 1 77 GLN H 5.000 3.000 5.000 4.017 3.385 5.015 0.015 21 0 "[ . 1 . 2 .]" 1
565 1 74 VAL HA 1 78 GLU HB2 5.000 3.000 5.000 4.266 3.267 5.142 0.142 22 0 "[ . 1 . 2 .]" 1
566 1 74 VAL HA 1 78 GLU HB3 5.000 3.000 5.000 4.860 3.857 5.167 0.167 8 0 "[ . 1 . 2 .]" 1
567 1 76 GLU HA 1 78 GLU H 4.600 4.200 4.600 4.383 4.176 4.616 0.024 2 0 "[ . 1 . 2 .]" 1
568 1 78 GLU H 1 78 GLU HB2 3.800 . 3.800 3.407 2.806 3.807 0.007 3 0 "[ . 1 . 2 .]" 1
569 1 78 GLU H 1 78 GLU HB3 3.800 . 3.800 3.269 1.990 3.842 0.042 21 0 "[ . 1 . 2 .]" 1
570 1 78 GLU H 1 78 GLU HG3 3.800 . 3.800 3.171 1.932 3.865 0.065 8 0 "[ . 1 . 2 .]" 1
571 1 78 GLU H 1 78 GLU HG2 3.800 . 3.800 2.867 1.894 4.012 0.212 12 0 "[ . 1 . 2 .]" 1
572 1 79 PHE H 1 79 PHE HA 3.000 . 3.000 2.951 2.907 3.015 0.015 17 0 "[ . 1 . 2 .]" 1
573 1 78 GLU HA 1 79 PHE H 3.700 3.300 3.700 3.522 3.299 3.652 0.001 17 0 "[ . 1 . 2 .]" 1
574 1 79 PHE H 1 79 PHE QD 3.800 3.000 5.800 3.839 3.535 4.111 . 0 0 "[ . 1 . 2 .]" 1
575 1 78 GLU HG3 1 79 PHE H 4.800 3.500 4.800 4.146 3.469 5.011 0.211 21 0 "[ . 1 . 2 .]" 1
576 1 78 GLU HG2 1 79 PHE H 4.800 3.500 4.800 4.275 3.373 5.059 0.259 17 0 "[ . 1 . 2 .]" 1
577 1 78 GLU HB3 1 79 PHE H 5.000 3.800 5.000 4.311 3.657 4.639 0.143 6 0 "[ . 1 . 2 .]" 1
578 1 78 GLU HB2 1 79 PHE H 5.000 3.800 5.000 3.942 3.413 4.610 0.387 17 0 "[ . 1 . 2 .]" 1
579 1 79 PHE H 1 79 PHE HB3 3.000 . 3.000 1.968 1.877 2.115 . 0 0 "[ . 1 . 2 .]" 1
580 1 79 PHE H 1 79 PHE HB2 3.000 . 3.000 2.887 2.699 3.004 0.004 4 0 "[ . 1 . 2 .]" 1
581 1 79 PHE H 1 81 ARG H 4.000 4.000 4.400 4.220 3.962 4.409 0.038 1 0 "[ . 1 . 2 .]" 1
582 1 79 PHE H 1 80 LEU H 3.000 2.600 3.000 2.637 2.536 2.812 0.064 17 0 "[ . 1 . 2 .]" 1
583 1 78 GLU H 1 79 PHE H 3.000 2.600 3.000 2.545 2.508 2.610 0.092 16 0 "[ . 1 . 2 .]" 1
584 1 79 PHE H 1 80 LEU QD 5.000 3.800 6.000 3.909 3.274 4.469 0.526 23 1 "[ . 1 . 2 + .]" 1
585 1 77 GLN HA 1 79 PHE H 4.600 4.200 4.600 4.182 4.117 4.274 0.083 2 0 "[ . 1 . 2 .]" 1
586 1 79 PHE QD 1 80 LEU HA 3.800 3.000 5.800 4.456 4.179 4.738 . 0 0 "[ . 1 . 2 .]" 1
587 1 79 PHE QD 1 80 LEU QD 3.500 2.500 6.500 2.467 2.118 2.996 0.382 17 0 "[ . 1 . 2 .]" 1
588 1 79 PHE QE 1 80 LEU HA 5.000 3.800 7.000 5.607 5.188 6.037 . 0 0 "[ . 1 . 2 .]" 1
589 1 76 GLU QB 1 79 PHE QE 5.000 3.800 7.000 3.513 2.536 4.143 1.264 15 7 "[ -*.* * 1 + ** .]" 1
590 1 80 LEU H 1 81 ARG H 3.000 2.600 3.000 2.640 2.551 2.764 0.049 18 0 "[ . 1 . 2 .]" 1
591 1 80 LEU H 1 82 ILE H 4.000 4.000 4.400 4.326 4.034 4.578 0.178 18 0 "[ . 1 . 2 .]" 1
592 1 77 GLN HA 1 80 LEU H 3.600 3.200 3.600 3.652 3.178 3.790 0.190 7 0 "[ . 1 . 2 .]" 1
593 1 79 PHE QD 1 80 LEU H 3.500 2.500 5.500 3.339 2.878 3.883 . 0 0 "[ . 1 . 2 .]" 1
594 1 80 LEU H 1 80 LEU HA 3.000 . 3.000 3.031 2.974 3.064 0.064 8 0 "[ . 1 . 2 .]" 1
595 1 79 PHE HB3 1 80 LEU H 3.800 3.000 3.800 2.935 2.879 2.982 0.121 1 0 "[ . 1 . 2 .]" 1
596 1 79 PHE HB2 1 80 LEU H 3.800 3.000 3.800 3.936 3.909 3.966 0.166 13 0 "[ . 1 . 2 .]" 1
597 1 80 LEU H 1 80 LEU HB3 3.800 . 3.800 3.412 3.190 3.800 0.000 18 0 "[ . 1 . 2 .]" 1
598 1 80 LEU H 1 80 LEU HB2 3.800 . 3.800 3.493 2.404 3.842 0.042 8 0 "[ . 1 . 2 .]" 1
599 1 80 LEU H 1 80 LEU QD 3.000 . 4.000 2.459 1.804 3.091 . 0 0 "[ . 1 . 2 .]" 1
600 1 79 PHE QE 1 80 LEU H 5.000 3.800 7.000 5.220 4.830 5.687 . 0 0 "[ . 1 . 2 .]" 1
601 1 81 ARG H 1 82 ILE H 3.800 3.000 3.800 2.942 2.857 3.085 0.143 20 0 "[ . 1 . 2 .]" 1
602 1 78 GLU HA 1 81 ARG H 3.800 3.000 3.800 3.766 2.994 3.980 0.180 20 0 "[ . 1 . 2 .]" 1
603 1 82 ILE H 1 82 ILE HA 3.000 . 3.000 2.446 1.895 2.945 . 0 0 "[ . 1 . 2 .]" 1
604 1 82 ILE H 1 82 ILE HB 3.000 . 3.000 2.608 2.117 3.223 0.223 18 0 "[ . 1 . 2 .]" 1
605 1 82 ILE H 1 82 ILE MG 3.000 . 4.000 3.071 1.837 3.531 . 0 0 "[ . 1 . 2 .]" 1
606 1 82 ILE H 1 82 ILE MD 4.000 3.000 5.000 3.860 3.500 4.266 . 0 0 "[ . 1 . 2 .]" 1
607 1 6 PHE QD 1 47 ALA MB 3.800 3.000 6.800 4.808 4.490 5.154 . 0 0 "[ . 1 . 2 .]" 1
608 1 11 THR H 1 50 LEU QD 5.000 3.800 6.000 4.056 2.737 4.392 1.063 22 2 "[ -. 1 . 2 + .]" 1
609 1 10 MET QB 1 50 LEU QD 3.000 . 5.000 2.166 1.878 2.735 . 0 0 "[ . 1 . 2 .]" 1
610 1 10 MET QG 1 50 LEU QD 3.800 2.500 4.800 1.940 1.674 3.214 0.826 12 22 "[*** *******+*-*** *** ***]" 1
611 1 27 PHE QE 1 31 ASP HB3 6.741 2.059 8.741 4.691 3.689 6.067 . 0 0 "[ . 1 . 2 .]" 1
612 1 27 PHE QE 1 30 PHE QB 6.739 2.061 8.739 5.282 5.125 5.538 . 0 0 "[ . 1 . 2 .]" 1
613 1 27 PHE QE 1 75 SER H 5.000 3.800 7.000 4.461 4.143 4.905 . 0 0 "[ . 1 . 2 .]" 1
614 1 27 PHE QE 1 75 SER HA 4.500 3.000 6.500 3.847 3.349 4.312 . 0 0 "[ . 1 . 2 .]" 1
615 1 27 PHE HZ 1 75 SER HA 4.000 3.000 4.000 3.009 2.913 3.158 0.087 1 0 "[ . 1 . 2 .]" 1
616 1 27 PHE HZ 1 76 GLU HA 5.000 3.500 5.000 3.397 3.345 3.459 0.155 8 0 "[ . 1 . 2 .]" 1
617 1 27 PHE QE 1 76 GLU HA 3.800 . 5.800 3.637 3.301 3.964 . 0 0 "[ . 1 . 2 .]" 1
618 1 27 PHE HZ 1 76 GLU QB 5.000 3.800 5.000 3.947 3.644 4.537 0.156 17 0 "[ . 1 . 2 .]" 1
619 1 27 PHE QE 1 76 GLU QB 3.800 3.000 5.800 3.703 2.904 4.443 0.096 15 0 "[ . 1 . 2 .]" 1
620 1 27 PHE HZ 1 37 LYS QD 5.000 3.800 6.000 5.022 4.541 5.259 . 0 0 "[ . 1 . 2 .]" 1
621 1 27 PHE HZ 1 76 GLU H 4.500 3.500 4.500 3.641 3.436 3.804 0.064 6 0 "[ . 1 . 2 .]" 1
622 1 27 PHE QE 1 76 GLU H 4.500 3.500 6.500 4.499 4.229 4.669 . 0 0 "[ . 1 . 2 .]" 1
623 1 27 PHE QD 1 76 GLU H 5.000 3.800 7.000 6.436 6.175 6.601 . 0 0 "[ . 1 . 2 .]" 1
624 1 76 GLU HA 1 76 GLU QB 3.800 2.500 3.800 2.225 2.162 2.376 0.338 8 0 "[ . 1 . 2 .]" 1
625 1 76 GLU HA 1 76 GLU QG 3.800 3.000 4.800 3.426 2.462 3.731 0.538 12 1 "[ . 1 + . 2 .]" 1
626 1 27 PHE QD 1 38 ILE H 5.000 3.800 7.000 5.024 4.621 5.431 . 0 0 "[ . 1 . 2 .]" 1
627 1 27 PHE HZ 1 38 ILE H 3.800 3.000 3.800 3.809 3.587 3.913 0.113 1 0 "[ . 1 . 2 .]" 1
628 1 27 PHE QE 1 38 ILE H 4.500 3.500 6.500 3.527 3.212 3.948 0.288 9 0 "[ . 1 . 2 .]" 1
629 1 38 ILE H 1 74 VAL HB 3.800 3.000 3.800 3.345 2.998 3.625 0.002 23 0 "[ . 1 . 2 .]" 1
630 1 27 PHE QD 1 38 ILE MD 3.200 . 6.200 2.679 2.469 2.982 . 0 0 "[ . 1 . 2 .]" 1
631 1 27 PHE QD 1 37 LYS HA 5.000 3.800 7.000 5.731 5.106 6.122 . 0 0 "[ . 1 . 2 .]" 1
632 1 27 PHE QD 1 74 VAL QG 4.500 3.000 7.500 3.358 2.902 3.663 0.098 16 0 "[ . 1 . 2 .]" 1
633 1 27 PHE QE 1 74 VAL QG 3.500 2.400 6.500 2.595 2.234 2.911 0.166 8 0 "[ . 1 . 2 .]" 1
634 1 27 PHE HZ 1 74 VAL QG 5.000 3.800 6.000 4.310 3.462 4.651 0.338 8 0 "[ . 1 . 2 .]" 1
635 1 27 PHE QE 1 79 PHE H 5.000 3.800 7.000 4.445 4.220 4.726 . 0 0 "[ . 1 . 2 .]" 1
636 1 27 PHE QE 1 79 PHE QD 3.800 3.000 7.800 3.775 3.364 4.105 . 0 0 "[ . 1 . 2 .]" 1
637 1 27 PHE HA 1 79 PHE QD 5.000 3.800 7.000 5.383 5.047 5.746 . 0 0 "[ . 1 . 2 .]" 1
638 1 27 PHE HA 1 79 PHE QE 5.000 3.800 7.000 4.807 4.659 4.973 . 0 0 "[ . 1 . 2 .]" 1
639 1 27 PHE QD 1 79 PHE H 5.000 3.800 7.000 5.394 5.100 6.016 . 0 0 "[ . 1 . 2 .]" 1
640 1 74 VAL QG 1 79 PHE H 3.800 2.500 4.800 3.494 3.121 3.797 . 0 0 "[ . 1 . 2 .]" 1
641 1 74 VAL QG 1 79 PHE QD 3.600 2.200 6.600 4.805 4.269 4.979 . 0 0 "[ . 1 . 2 .]" 1
642 1 24 LEU HA 1 79 PHE QD 5.000 3.800 7.000 3.591 2.931 4.121 0.869 17 10 "[* *.-* *1 ** **+ 2 .]" 1
643 1 24 LEU HA 1 79 PHE QE 3.800 3.000 5.800 1.938 1.889 2.041 1.111 19 25 [*******-**********+******] 1
644 1 27 PHE QD 1 38 ILE QG 5.000 3.800 7.000 4.277 2.843 4.559 0.957 23 1 "[ . 1 . 2 + .]" 1
645 1 27 PHE QD 1 36 GLY QA 5.000 3.000 7.000 3.848 3.342 4.428 . 0 0 "[ . 1 . 2 .]" 1
646 1 27 PHE QD 1 79 PHE HB3 5.748 . 7.748 4.251 3.902 4.601 . 0 0 "[ . 1 . 2 .]" 1
647 1 39 SER HA 1 73 GLU QG 3.800 2.500 4.800 4.294 3.529 4.429 . 0 0 "[ . 1 . 2 .]" 1
648 1 63 ILE MD 1 74 VAL HA 5.000 3.800 6.000 4.964 4.754 5.031 . 0 0 "[ . 1 . 2 .]" 1
649 1 63 ILE MD 1 73 GLU HA 3.800 3.000 4.800 2.515 2.243 2.872 0.757 16 12 "[ *. ** 1 **.+ **2*-* *]" 1
650 1 40 PHE HZ 1 56 ASP H 5.000 3.800 5.000 5.097 5.028 5.159 0.159 14 0 "[ . 1 . 2 .]" 1
651 1 27 PHE HA 1 38 ILE MD 3.800 3.000 4.800 2.727 2.366 3.166 0.634 25 5 "[ .* *1 . *- 2 +]" 1
652 1 27 PHE QB 1 38 ILE MD 5.000 2.400 6.000 3.538 3.197 3.764 . 0 0 "[ . 1 . 2 .]" 1
653 1 30 PHE QB 1 38 ILE MD 3.800 3.000 4.800 2.198 2.112 2.378 0.888 16 25 [***************+***-*****] 1
654 1 33 ASP H 1 35 THR MG 5.000 3.800 6.000 4.375 4.005 4.748 . 0 0 "[ . 1 . 2 .]" 1
655 1 34 GLU HA 1 35 THR MG 5.000 3.800 6.000 4.817 4.434 4.914 . 0 0 "[ . 1 . 2 .]" 1
656 1 33 ASP HB3 1 35 THR MG 4.500 3.000 5.500 2.866 2.232 4.485 0.768 15 11 "[ * - * 1 * *+* * ** * .]" 1
657 1 33 ASP HB2 1 35 THR MG 4.500 3.000 5.500 3.395 2.438 4.176 0.562 13 2 "[ . 1 + . -2 .]" 1
658 1 35 THR H 1 36 GLY QA 5.000 3.800 5.000 4.351 4.174 4.500 . 0 0 "[ . 1 . 2 .]" 1
659 1 71 ASP HB2 1 72 GLY H 6.759 2.041 6.759 4.298 3.368 4.983 . 0 0 "[ . 1 . 2 .]" 1
660 1 67 ASP QB 1 70 GLY H 6.758 2.042 6.758 4.210 3.083 4.898 . 0 0 "[ . 1 . 2 .]" 1
661 1 40 PHE QD 1 41 LYS HA 3.800 2.500 5.800 3.896 3.242 4.651 . 0 0 "[ . 1 . 2 .]" 1
662 1 40 PHE QE 1 41 LYS HA 5.000 3.800 7.000 5.039 4.216 5.805 . 0 0 "[ . 1 . 2 .]" 1
663 1 38 ILE MD 1 74 VAL HB 3.800 3.000 4.800 3.549 3.216 3.786 . 0 0 "[ . 1 . 2 .]" 1
664 1 38 ILE HB 1 74 VAL HB 4.500 3.500 4.500 3.399 3.359 3.445 0.141 18 0 "[ . 1 . 2 .]" 1
665 1 40 PHE HA 1 63 ILE MD 3.000 . 4.000 3.010 2.773 3.178 . 0 0 "[ . 1 . 2 .]" 1
666 1 63 ILE MG 1 72 GLY H 5.000 3.800 6.000 4.266 3.487 5.039 0.313 21 0 "[ . 1 . 2 .]" 1
667 1 40 PHE QD 1 63 ILE MD 3.500 2.500 6.500 4.168 3.511 4.797 . 0 0 "[ . 1 . 2 .]" 1
668 1 40 PHE QD 1 63 ILE HG12 6.748 2.052 8.748 3.321 2.479 4.581 . 0 0 "[ . 1 . 2 .]" 1
669 1 40 PHE QD 1 63 ILE HB 3.800 3.000 5.800 3.988 3.034 5.545 . 0 0 "[ . 1 . 2 .]" 1
670 1 56 ASP H 1 59 LEU QD 5.000 3.800 6.000 4.295 3.726 4.603 0.074 21 0 "[ . 1 . 2 .]" 1
671 1 40 PHE QD 1 60 GLN HG2 5.000 3.000 7.000 3.947 2.435 5.400 0.565 11 2 "[ . 1+ . - 2 .]" 1
672 1 40 PHE QE 1 60 GLN HG2 3.800 2.500 5.800 3.867 2.827 4.625 . 0 0 "[ . 1 . 2 .]" 1
673 1 40 PHE QE 1 60 GLN QB 3.500 2.500 6.500 2.757 2.271 3.972 0.229 13 0 "[ . 1 . 2 .]" 1
674 1 40 PHE QD 1 60 GLN HG3 5.000 3.000 7.000 4.485 3.592 5.297 . 0 0 "[ . 1 . 2 .]" 1
675 1 40 PHE QE 1 60 GLN HG3 3.800 2.500 5.800 4.453 3.578 5.197 . 0 0 "[ . 1 . 2 .]" 1
676 1 50 LEU QD 1 51 GLY H 3.800 3.800 4.800 3.696 3.552 3.883 0.248 15 0 "[ . 1 . 2 .]" 1
677 1 56 ASP HA 1 59 LEU QB 5.000 3.500 5.000 3.368 3.264 3.439 0.236 6 0 "[ . 1 . 2 .]" 1
678 1 43 LEU HA 1 47 ALA H 5.000 3.800 5.000 4.015 3.772 4.345 0.028 8 0 "[ . 1 . 2 .]" 1
679 1 30 PHE QB 1 38 ILE QG 6.746 2.054 6.746 2.189 1.977 3.083 0.077 18 0 "[ . 1 . 2 .]" 1
680 1 30 PHE QB 1 38 ILE MG 5.000 3.500 6.000 3.737 3.133 3.991 0.367 23 0 "[ . 1 . 2 .]" 1
681 1 27 PHE QD 1 28 LYS HA 3.800 3.000 5.800 2.830 2.585 3.029 0.415 6 0 "[ . 1 . 2 .]" 1
682 1 37 LYS QD 1 75 SER HA 5.000 3.800 6.000 3.527 2.795 4.570 1.005 19 13 "[* -** * 1* ** **+* * .]" 1
683 1 37 LYS QG 1 75 SER HA 3.800 3.000 4.800 3.020 2.237 4.424 0.763 16 5 "[ - . *1 .+ 2* * .]" 1
684 1 27 PHE QB 1 79 PHE QD 5.541 . 7.541 2.646 2.228 3.113 . 0 0 "[ . 1 . 2 .]" 1
685 1 27 PHE QB 1 79 PHE QE 5.000 3.000 7.000 1.982 1.919 2.092 1.081 6 25 [*****+*************-*****] 1
686 1 27 PHE QE 1 38 ILE QG 5.000 3.000 7.000 4.644 2.942 5.056 0.058 23 0 "[ . 1 . 2 .]" 1
687 1 27 PHE QE 1 79 PHE HA 5.000 3.800 7.000 4.580 4.301 4.860 . 0 0 "[ . 1 . 2 .]" 1
688 1 27 PHE QE 1 36 GLY QA 5.000 3.000 7.000 2.248 2.001 3.185 0.999 20 22 "[***** **-** **** **+*****]" 1
689 1 27 PHE HZ 1 38 ILE QG 6.746 2.054 6.746 5.553 4.475 5.956 . 0 0 "[ . 1 . 2 .]" 1
690 1 27 PHE QE 1 79 PHE HB3 5.548 . 7.548 3.558 3.346 3.743 . 0 0 "[ . 1 . 2 .]" 1
691 1 74 VAL QG 1 78 GLU H 4.500 3.500 5.500 4.151 3.838 4.376 . 0 0 "[ . 1 . 2 .]" 1
692 1 38 ILE MD 1 74 VAL QG 4.500 3.800 6.500 3.792 3.612 3.867 0.188 21 0 "[ . 1 . 2 .]" 1
693 1 63 ILE MD 1 74 VAL H 5.000 3.800 6.000 3.310 3.125 3.514 0.675 21 15 "[ *.* **1 ***** **2+** -]" 1
694 1 73 GLU HA 1 74 VAL QG 5.000 3.800 6.000 3.312 3.118 3.516 0.682 8 13 "[ * ***+ *** -* * 2 * *]" 1
695 1 39 SER H 1 73 GLU HB3 5.000 3.800 5.000 4.625 3.986 5.118 0.118 20 0 "[ . 1 . 2 .]" 1
696 1 39 SER H 1 73 GLU HB2 5.000 3.800 5.000 4.377 3.769 5.033 0.033 22 0 "[ . 1 . 2 .]" 1
697 1 27 PHE H 1 79 PHE QD 5.000 3.800 7.000 4.629 4.064 5.240 . 0 0 "[ . 1 . 2 .]" 1
698 1 27 PHE H 1 79 PHE QE 3.500 2.500 5.500 3.358 3.170 3.619 . 0 0 "[ . 1 . 2 .]" 1
699 1 27 PHE H 1 79 PHE HZ 5.000 3.800 5.000 4.823 4.286 5.149 0.149 1 0 "[ . 1 . 2 .]" 1
700 1 27 PHE HZ 1 38 ILE MD 5.000 3.800 6.000 3.313 3.011 3.679 0.789 20 13 "[ ***. -* ** * * *+ **.]" 1
701 1 27 PHE QE 1 37 LYS HA 3.800 3.000 5.800 3.933 3.345 4.264 . 0 0 "[ . 1 . 2 .]" 1
702 1 27 PHE QE 1 38 ILE MD 3.200 . 6.200 2.778 2.560 3.107 . 0 0 "[ . 1 . 2 .]" 1
703 1 27 PHE HZ 1 37 LYS HA 3.500 2.500 3.500 3.077 2.415 3.469 0.085 17 0 "[ . 1 . 2 .]" 1
704 1 27 PHE HZ 1 36 GLY QA 6.947 2.053 6.947 3.221 2.576 4.225 . 0 0 "[ . 1 . 2 .]" 1
705 1 40 PHE QE 1 60 GLN H 3.500 2.500 5.500 2.892 2.254 4.008 0.246 13 0 "[ . 1 . 2 .]" 1
706 1 40 PHE HZ 1 60 GLN H 5.000 3.800 5.000 4.077 3.763 4.619 0.037 19 0 "[ . 1 . 2 .]" 1
707 1 40 PHE QD 1 60 GLN H 4.200 3.200 6.200 4.329 3.737 4.910 . 0 0 "[ . 1 . 2 .]" 1
708 1 40 PHE QD 1 59 LEU H 5.200 4.000 7.200 5.856 5.433 6.256 . 0 0 "[ . 1 . 2 .]" 1
709 1 40 PHE QE 1 59 LEU H 3.800 3.000 5.800 4.282 4.090 4.598 . 0 0 "[ . 1 . 2 .]" 1
710 1 40 PHE QD 1 44 LYS H 5.000 3.800 7.000 4.614 3.396 5.195 0.404 8 0 "[ . 1 . 2 .]" 1
711 1 40 PHE QE 1 44 LYS H 5.000 3.800 7.000 5.170 3.936 5.954 . 0 0 "[ . 1 . 2 .]" 1
712 1 40 PHE QE 1 44 LYS HA 5.000 3.800 7.000 5.675 4.381 6.422 . 0 0 "[ . 1 . 2 .]" 1
713 1 40 PHE QD 1 44 LYS HA 5.000 3.800 7.000 6.140 5.137 6.542 . 0 0 "[ . 1 . 2 .]" 1
714 1 40 PHE QE 1 56 ASP HA 3.800 3.000 5.800 3.425 2.477 3.711 0.523 21 1 "[ . 1 . 2+ .]" 1
715 1 40 PHE QE 1 59 LEU QB 3.800 2.800 5.800 2.032 1.866 2.279 0.934 14 25 [**********-**+***********] 1
716 1 40 PHE QE 1 59 LEU QD 3.800 3.500 6.800 2.728 1.849 3.262 1.651 16 9 "[ * . *-1 **+ ** * .]" 1
717 1 40 PHE HZ 1 59 LEU QD 3.800 3.800 4.800 2.888 2.373 3.664 1.427 9 20 "[***** * +*****.**-*2 ****]" 1
718 1 40 PHE QE 1 59 LEU HG 3.800 3.000 5.800 4.134 3.564 4.992 . 0 0 "[ . 1 . 2 .]" 1
719 1 40 PHE QD 1 56 ASP HA 5.000 3.800 7.000 5.408 4.784 5.618 . 0 0 "[ . 1 . 2 .]" 1
720 1 40 PHE HB3 1 40 PHE QD 3.000 . 5.000 2.474 2.296 2.638 . 0 0 "[ . 1 . 2 .]" 1
721 1 40 PHE HB2 1 40 PHE QD 3.000 . 5.000 2.515 2.318 2.842 . 0 0 "[ . 1 . 2 .]" 1
722 1 40 PHE QD 1 59 LEU QB 6.252 . 8.252 2.989 2.278 3.390 . 0 0 "[ . 1 . 2 .]" 1
723 1 40 PHE QD 1 59 LEU QD 3.800 3.800 6.800 3.516 2.352 4.123 1.448 20 7 "[ - . * 1 *** +* .]" 1
724 1 40 PHE HZ 1 56 ASP HA 3.500 2.500 3.500 2.399 2.303 2.610 0.197 11 0 "[ . 1 . 2 .]" 1
725 1 27 PHE QD 1 79 PHE QE 3.800 3.000 7.800 3.134 2.959 3.370 0.041 7 0 "[ . 1 . 2 .]" 1
726 1 27 PHE QD 1 79 PHE QD 3.000 . 7.000 3.419 3.328 3.548 . 0 0 "[ . 1 . 2 .]" 1
727 1 79 PHE HA 1 79 PHE QD 3.000 . 5.000 3.107 2.774 3.378 . 0 0 "[ . 1 . 2 .]" 1
728 1 68 ARG H 1 78 GLU HG3 4.500 . 4.500 4.149 2.873 4.608 0.108 12 0 "[ . 1 . 2 .]" 1
729 1 68 ARG H 1 78 GLU HG2 4.500 . 4.500 4.159 2.940 4.634 0.134 19 0 "[ . 1 . 2 .]" 1
730 1 68 ARG H 1 78 GLU HB2 5.000 3.000 5.500 4.025 2.982 5.152 0.018 3 0 "[ . 1 . 2 .]" 1
731 1 68 ARG H 1 78 GLU HB3 5.000 3.000 5.000 3.915 3.082 5.199 0.199 24 0 "[ . 1 . 2 .]" 1
732 1 44 LYS H 1 59 LEU QD 3.800 3.800 4.800 3.034 2.665 3.355 1.135 8 24 "[** -***+*****************]" 1
733 1 44 LYS QE 1 59 LEU QD 3.800 3.000 5.800 3.218 2.113 4.228 0.887 25 3 "[ .* 1 -. 2 +]" 1
734 1 43 LEU HB2 1 59 LEU QD 5.551 . 6.551 2.684 2.226 3.250 . 0 0 "[ . 1 . 2 .]" 1
735 1 58 GLU HA 1 60 GLN H 5.000 3.800 5.000 4.491 4.299 4.825 . 0 0 "[ . 1 . 2 .]" 1
736 1 28 LYS HB2 1 79 PHE QD 5.560 . 7.560 6.163 5.360 7.034 . 0 0 "[ . 1 . 2 .]" 1
737 1 28 LYS HB2 1 79 PHE QE 4.760 . 6.760 4.153 3.216 5.110 . 0 0 "[ . 1 . 2 .]" 1
738 1 28 LYS HA 1 79 PHE QE 3.800 2.500 5.800 4.649 4.371 4.913 . 0 0 "[ . 1 . 2 .]" 1
739 1 28 LYS H 1 30 PHE QD 5.000 3.800 7.000 5.727 5.269 6.074 . 0 0 "[ . 1 . 2 .]" 1
740 1 28 LYS HB2 1 79 PHE HZ 4.760 . 4.760 3.096 2.205 4.130 . 0 0 "[ . 1 . 2 .]" 1
741 1 6 PHE HZ 1 47 ALA HA 3.500 . 3.500 3.177 2.688 3.524 0.024 4 0 "[ . 1 . 2 .]" 1
742 1 6 PHE HZ 1 47 ALA MB 3.500 . 4.500 2.806 2.428 3.080 . 0 0 "[ . 1 . 2 .]" 1
743 1 6 PHE HZ 1 47 ALA H 3.800 3.000 3.800 3.023 2.946 3.351 0.054 17 0 "[ . 1 . 2 .]" 1
744 1 30 PHE QD 1 46 VAL H 5.000 3.500 7.000 5.550 5.128 5.974 . 0 0 "[ . 1 . 2 .]" 1
745 1 6 PHE QE 1 47 ALA H 5.000 3.800 7.000 4.173 3.665 4.331 0.135 17 0 "[ . 1 . 2 .]" 1
746 1 6 PHE QE 1 47 ALA MB 3.500 . 6.500 2.881 2.550 3.509 . 0 0 "[ . 1 . 2 .]" 1
747 1 6 PHE HZ 1 46 VAL QG . 3.800 4.800 2.947 2.068 3.707 1.732 4 17 "[ **+* ***1 ** .* *-** ***]" 1
748 1 47 ALA H 1 59 LEU QD 5.000 3.800 6.000 4.028 3.592 4.267 0.208 23 0 "[ . 1 . 2 .]" 1
749 1 44 LYS HA 1 59 LEU QD 3.800 3.000 4.000 2.443 1.983 2.761 1.017 20 13 "[ * .- * * *** * +* ***]" 1
750 1 47 ALA MB 1 59 LEU QD 3.000 . 5.000 2.220 1.866 2.497 . 0 0 "[ . 1 . 2 .]" 1
751 1 40 PHE QE 1 56 ASP HB2 5.000 3.800 7.000 3.990 3.540 4.772 0.260 23 0 "[ . 1 . 2 .]" 1
752 1 40 PHE QE 1 56 ASP HB3 5.000 3.800 7.000 4.301 3.821 4.850 . 0 0 "[ . 1 . 2 .]" 1
753 1 40 PHE HZ 1 56 ASP HB3 3.800 2.500 3.800 3.427 2.608 3.897 0.097 9 0 "[ . 1 . 2 .]" 1
754 1 40 PHE HZ 1 56 ASP HB2 3.800 2.500 3.800 3.005 2.496 3.828 0.028 13 0 "[ . 1 . 2 .]" 1
755 1 33 ASP HA 1 34 GLU H 5.000 3.500 5.000 3.529 3.469 3.709 0.031 11 0 "[ . 1 . 2 .]" 1
756 1 38 ILE MD 1 79 PHE QD 3.800 3.000 6.800 5.204 5.039 5.299 . 0 0 "[ . 1 . 2 .]" 1
757 1 38 ILE MD 1 79 PHE QE 4.500 3.200 7.500 5.316 5.070 5.527 . 0 0 "[ . 1 . 2 .]" 1
758 1 74 VAL QG 1 79 PHE HB3 4.500 3.000 5.500 3.924 3.259 4.215 . 0 0 "[ . 1 . 2 .]" 1
759 1 74 VAL QG 1 79 PHE HB2 4.500 3.000 5.500 3.392 2.743 3.616 0.257 8 0 "[ . 1 . 2 .]" 1
760 1 40 PHE H 1 63 ILE MD 3.800 3.000 4.800 3.335 3.145 3.596 . 0 0 "[ . 1 . 2 .]" 1
761 1 27 PHE QE 1 38 ILE HA 5.000 3.800 7.000 5.864 5.574 6.026 . 0 0 "[ . 1 . 2 .]" 1
762 1 30 PHE QD 1 38 ILE QG 6.746 2.054 8.746 2.427 2.012 3.358 0.042 21 0 "[ . 1 . 2 .]" 1
763 1 63 ILE HA 1 74 VAL QG 3.800 3.000 4.800 3.271 3.040 3.609 . 0 0 "[ . 1 . 2 .]" 1
764 1 74 VAL QG 1 79 PHE HA 3.800 3.000 4.800 3.494 3.020 3.917 . 0 0 "[ . 1 . 2 .]" 1
765 1 40 PHE HZ 1 59 LEU QB 6.752 2.048 6.752 3.121 2.716 3.545 . 0 0 "[ . 1 . 2 .]" 1
766 1 59 LEU H 1 59 LEU HG 3.000 . 3.000 2.488 2.042 3.362 0.362 13 0 "[ . 1 . 2 .]" 1
767 1 27 PHE HZ 1 37 LYS H 5.000 3.800 5.000 4.246 3.824 4.805 . 0 0 "[ . 1 . 2 .]" 1
768 1 27 PHE QE 1 37 LYS H 5.000 3.800 7.000 4.352 3.939 4.619 . 0 0 "[ . 1 . 2 .]" 1
769 1 6 PHE QE 1 47 ALA HA 3.800 3.000 5.800 3.683 2.661 4.309 0.339 24 0 "[ . 1 . 2 .]" 1
770 1 28 LYS HA 1 79 PHE HZ 3.800 3.000 3.800 3.923 3.840 4.006 0.206 18 0 "[ . 1 . 2 .]" 1
771 1 27 PHE QD 1 31 ASP H 5.000 3.800 7.000 4.810 4.314 5.115 . 0 0 "[ . 1 . 2 .]" 1
772 1 6 PHE HZ 1 46 VAL HA 5.000 3.800 5.000 5.083 4.934 5.193 0.193 22 0 "[ . 1 . 2 .]" 1
773 1 30 PHE QE 1 38 ILE MD 5.000 3.800 8.000 4.510 3.487 4.907 0.313 24 0 "[ . 1 . 2 .]" 1
774 1 30 PHE QE 1 43 LEU HA 3.500 2.200 5.500 3.000 2.092 4.377 0.108 17 0 "[ . 1 . 2 .]" 1
775 1 6 PHE HZ 1 59 LEU QD 5.000 3.800 6.000 3.744 3.087 4.457 0.713 14 3 "[ . - 1 +. * 2 .]" 1
776 1 6 PHE QE 1 59 LEU QD 5.000 3.800 8.000 2.623 2.106 3.931 1.694 23 22 "[******-********** *2 *+**]" 1
777 1 6 PHE QD 1 59 LEU QD 5.000 3.800 8.000 3.724 3.041 4.874 0.759 11 5 "[ ** 1+ . -2 * .]" 1
778 1 30 PHE QD 1 38 ILE MD 3.800 3.000 6.800 3.327 2.065 3.737 0.935 20 5 "[ - . * 1 . +* *.]" 1
779 1 3 PHE HZ 1 38 ILE MD 3.800 3.000 4.800 3.518 2.510 4.061 0.490 10 0 "[ . 1 . 2 .]" 1
780 1 3 PHE HZ 1 38 ILE MG 3.800 2.500 4.800 2.589 2.088 3.885 0.412 11 0 "[ . 1 . 2 .]" 1
781 1 37 LYS QZ 1 75 SER HA 5.000 3.800 6.000 4.041 2.768 5.096 1.032 7 7 "[ * + 1 * .* *2- * .]" 1
782 1 77 GLN HA 1 80 LEU HG 4.000 3.000 4.000 3.740 2.986 4.221 0.221 20 0 "[ . 1 . 2 .]" 1
783 1 40 PHE QD 1 42 ASN H 5.000 3.800 7.000 5.620 5.341 5.966 . 0 0 "[ . 1 . 2 .]" 1
784 1 39 SER H 1 43 LEU H 5.000 3.800 5.000 4.422 4.228 4.669 . 0 0 "[ . 1 . 2 .]" 1
785 1 30 PHE QE 1 43 LEU HG 5.000 3.800 7.000 3.962 2.334 5.612 1.466 23 3 "[ . 1 -. * 2 + .]" 1
786 1 30 PHE QE 1 43 LEU HB3 5.000 3.000 7.000 4.984 4.238 6.050 . 0 0 "[ . 1 . 2 .]" 1
787 1 30 PHE QE 1 43 LEU HB2 5.000 3.000 7.000 5.376 4.462 6.625 . 0 0 "[ . 1 . 2 .]" 1
788 1 30 PHE QE 1 43 LEU QD 3.000 . 7.400 2.775 2.144 4.113 . 0 0 "[ . 1 . 2 .]" 1
789 1 3 PHE HZ 1 43 LEU QD 3.800 2.800 6.200 2.795 2.122 3.520 0.678 7 3 "[ . + 1* . - .]" 1
790 1 3 PHE QE 1 43 LEU QD 3.000 . 7.400 2.349 1.978 3.259 . 0 0 "[ . 1 . 2 .]" 1
791 1 6 PHE QD 1 9 VAL QG 3.800 3.000 6.800 3.699 2.130 4.519 0.870 24 1 "[ . 1 . 2 +.]" 1
792 1 43 LEU QD 1 59 LEU QD 4.000 2.500 7.400 3.119 2.334 3.570 0.166 14 0 "[ . 1 . 2 .]" 1
793 1 7 LEU QD 1 11 THR MG 5.000 3.800 7.000 2.658 2.014 4.311 1.786 23 21 "[* ****** ****** *-*** +**]" 1
794 1 30 PHE HA 1 38 ILE MD 5.000 3.800 6.000 4.855 4.810 4.930 . 0 0 "[ . 1 . 2 .]" 1
795 1 30 PHE HA 1 38 ILE QG 6.746 2.054 6.746 4.468 4.228 5.730 . 0 0 "[ . 1 . 2 .]" 1
796 1 28 LYS HA 1 38 ILE MD 5.000 3.800 6.000 4.626 4.326 4.947 . 0 0 "[ . 1 . 2 .]" 1
797 1 41 LYS HA 1 59 LEU QD 5.000 3.800 6.000 4.968 4.885 5.042 . 0 0 "[ . 1 . 2 .]" 1
798 1 40 PHE HA 1 63 ILE HG13 6.748 2.052 6.748 3.017 2.672 3.294 . 0 0 "[ . 1 . 2 .]" 1
799 1 40 PHE HB3 1 63 ILE HG13 6.748 . 6.748 4.042 3.722 4.645 . 0 0 "[ . 1 . 2 .]" 1
800 1 40 PHE HB2 1 63 ILE HG13 6.748 . 6.748 2.380 2.064 3.043 . 0 0 "[ . 1 . 2 .]" 1
801 1 40 PHE H 1 63 ILE HG13 5.000 3.800 5.000 3.822 3.737 4.150 0.063 13 0 "[ . 1 . 2 .]" 1
802 1 40 PHE H 1 63 ILE HG12 5.000 3.800 5.000 5.052 5.012 5.091 0.091 14 0 "[ . 1 . 2 .]" 1
803 1 6 PHE HZ 1 46 VAL H 5.000 3.800 5.000 4.689 4.346 5.102 0.102 23 0 "[ . 1 . 2 .]" 1
804 1 30 PHE QE 1 46 VAL HB 3.800 3.000 5.800 3.408 2.133 4.714 0.867 20 4 "[ * . * 1 . +- .]" 1
805 1 30 PHE QE 1 46 VAL QG 3.800 3.000 6.500 2.387 1.871 2.655 1.129 24 16 "[ **** ***1** .* **** +-]" 1
806 1 30 PHE QD 1 46 VAL HB 3.800 3.000 5.800 4.737 3.645 5.333 . 0 0 "[ . 1 . 2 .]" 1
807 1 30 PHE QD 1 46 VAL QG 3.800 3.000 6.800 2.984 2.048 4.037 0.952 24 2 "[ . 1 . 2- +.]" 1
808 1 3 PHE HZ 1 74 VAL QG . 3.800 4.800 3.036 2.276 3.671 1.524 24 18 "[** ***** 1- **. ******+*]" 1
809 1 3 PHE QE 1 74 VAL QG 3.800 3.000 6.000 2.521 2.008 3.610 0.992 19 14 "[* - .** *** *.** +2 * **]" 1
810 1 3 PHE HZ 1 30 PHE QE 5.000 3.800 7.000 4.011 2.429 5.120 1.371 7 4 "[ . + 1 . *- *.]" 1
811 1 3 PHE HZ 1 30 PHE QD 3.800 3.000 5.800 4.671 3.959 5.530 . 0 0 "[ . 1 . 2 .]" 1
812 1 3 PHE QE 1 30 PHE QE 3.800 3.000 7.800 3.064 2.238 4.216 0.762 24 1 "[ . 1 . 2 +.]" 1
813 1 6 PHE QE 1 30 PHE QE 3.800 2.500 7.800 3.159 2.381 4.744 0.119 12 0 "[ . 1 . 2 .]" 1
814 1 3 PHE QE 1 6 PHE QD 3.200 . 7.200 4.350 2.455 5.850 . 0 0 "[ . 1 . 2 .]" 1
815 1 3 PHE QE 1 6 PHE QE 3.200 . 7.200 4.754 3.458 5.946 . 0 0 "[ . 1 . 2 .]" 1
816 1 7 LEU QD 1 22 GLU HA 5.000 3.800 6.000 4.355 3.295 5.016 0.505 14 1 "[ . 1 +. 2 .]" 1
817 1 43 LEU QD 1 63 ILE HB 4.000 2.800 6.400 3.814 3.449 3.981 . 0 0 "[ . 1 . 2 .]" 1
818 1 30 PHE QE 1 46 VAL H 5.000 3.800 7.000 4.345 3.575 5.322 0.225 25 0 "[ . 1 . 2 .]" 1
819 1 54 LEU QD 1 59 LEU QD 4.000 2.500 6.000 2.931 1.828 3.827 0.672 11 5 "[ .* 1+* *. - 2 .]" 1
820 1 54 LEU QB 1 59 LEU QD 4.000 2.500 6.000 3.010 1.922 4.221 0.578 11 3 "[ . 1+ .* 2- .]" 1
821 1 23 ILE MG 1 24 LEU HA 4.500 3.500 5.500 3.405 3.181 3.801 0.319 13 0 "[ . 1 . 2 .]" 1
822 1 30 PHE QD 1 46 VAL HA 5.000 3.800 7.000 6.183 4.976 6.578 . 0 0 "[ . 1 . 2 .]" 1
823 1 6 PHE HZ 1 46 VAL HB 4.500 3.000 4.500 3.317 2.744 4.643 0.256 16 0 "[ . 1 . 2 .]" 1
824 1 6 PHE QE 1 46 VAL HB 4.500 3.000 6.500 3.259 2.167 4.671 0.833 14 4 "[ . 1 +. *- 2 * .]" 1
825 1 38 ILE HB 1 74 VAL QG . 3.200 4.500 3.120 2.527 3.322 0.673 23 1 "[ . 1 . 2 + .]" 1
826 1 63 ILE MG 1 72 GLY HA2 5.550 . 6.550 2.695 2.064 3.608 . 0 0 "[ . 1 . 2 .]" 1
827 1 38 ILE HB 1 74 VAL H 3.800 3.000 3.800 3.710 3.345 3.866 0.066 8 0 "[ . 1 . 2 .]" 1
828 1 74 VAL QG 1 78 GLU HA 5.000 3.800 6.000 4.583 4.292 4.894 . 0 0 "[ . 1 . 2 .]" 1
829 1 37 LYS HA 1 75 SER HA 2.600 . 2.600 2.574 2.304 2.665 0.065 14 0 "[ . 1 . 2 .]" 1
830 1 37 LYS HA 1 76 GLU H 5.000 3.800 5.000 4.539 4.107 4.809 . 0 0 "[ . 1 . 2 .]" 1
831 1 38 ILE H 1 74 VAL H 3.500 3.000 3.500 3.326 3.022 3.522 0.022 1 0 "[ . 1 . 2 .]" 1
832 1 30 PHE QE 1 43 LEU H 5.000 3.800 7.000 3.875 2.935 6.306 0.865 14 10 "[* - .* 1* +* * *2 ** .]" 1
833 1 32 ASP HA 1 33 ASP H 5.000 3.500 5.000 3.412 3.367 3.486 0.133 16 0 "[ . 1 . 2 .]" 1
834 1 33 ASP H 1 34 GLU HA 4.500 3.000 4.500 4.238 4.004 4.532 0.032 25 0 "[ . 1 . 2 .]" 1
835 1 33 ASP H 1 33 ASP HB3 5.000 3.000 5.000 3.231 2.877 3.939 0.123 16 0 "[ . 1 . 2 .]" 1
836 1 33 ASP H 1 33 ASP HB2 5.000 3.000 5.000 3.185 2.917 3.798 0.083 8 0 "[ . 1 . 2 .]" 1
837 1 32 ASP H 1 32 ASP HA 3.500 2.500 3.500 2.621 2.457 2.872 0.043 21 0 "[ . 1 . 2 .]" 1
838 1 3 PHE QE 1 6 PHE HB3 6.046 . 8.046 4.973 3.140 6.325 . 0 0 "[ . 1 . 2 .]" 1
839 1 24 LEU HG 1 79 PHE QD 4.300 3.000 6.300 4.875 3.794 5.945 . 0 0 "[ . 1 . 2 .]" 1
840 1 24 LEU MD1 1 79 PHE QD 3.000 . 6.000 4.124 2.913 4.719 . 0 0 "[ . 1 . 2 .]" 1
841 1 24 LEU MD2 1 79 PHE QD 3.000 . 6.000 3.843 2.606 4.701 . 0 0 "[ . 1 . 2 .]" 1
842 1 24 LEU MD1 1 79 PHE QE 3.000 . 6.000 3.489 2.618 4.352 . 0 0 "[ . 1 . 2 .]" 1
843 1 23 ILE MG 1 80 LEU HA 4.000 3.000 5.000 4.146 3.831 4.266 . 0 0 "[ . 1 . 2 .]" 1
844 1 23 ILE MD 1 80 LEU HA 5.000 3.800 6.000 4.698 3.929 4.929 . 0 0 "[ . 1 . 2 .]" 1
845 1 46 VAL QG 1 50 LEU H 5.000 3.800 6.000 3.755 2.752 4.639 1.048 15 3 "[ . *- + 2 .]" 1
846 1 23 ILE MG 1 79 PHE QD 3.800 3.000 6.800 3.541 2.168 4.239 0.832 22 2 "[ . 1 . - 2 + .]" 1
847 1 23 ILE MG 1 79 PHE QE 3.800 2.800 6.800 3.966 2.607 4.551 0.193 22 0 "[ . 1 . 2 .]" 1
848 1 44 LYS HG3 1 59 LEU QD 3.800 3.000 4.800 2.994 2.427 4.099 0.573 16 4 "[ . 1 - .+ 2* *.]" 1
849 1 44 LYS HG2 1 59 LEU QD 3.800 3.000 4.800 2.706 2.407 3.907 0.593 23 12 "[ ** **-1 * *. * 2 *+**]" 1
850 1 3 PHE QE 1 43 LEU HA 5.000 3.800 7.000 5.002 3.627 5.948 0.173 14 0 "[ . 1 . 2 .]" 1
851 1 33 ASP HA 1 35 THR H 5.500 4.500 5.500 4.736 4.494 5.356 0.006 5 0 "[ . 1 . 2 .]" 1
852 1 76 GLU HA 1 80 LEU QD 3.800 3.000 4.800 3.470 2.924 3.784 0.076 23 0 "[ . 1 . 2 .]" 1
853 1 3 PHE QE 1 43 LEU HB2 5.551 . 7.551 6.140 4.927 7.332 . 0 0 "[ . 1 . 2 .]" 1
854 1 6 PHE QD 1 43 LEU HB2 5.251 . 7.251 6.280 5.277 6.988 . 0 0 "[ . 1 . 2 .]" 1
855 1 6 PHE QE 1 43 LEU HB2 5.751 . 7.751 5.038 4.214 5.797 . 0 0 "[ . 1 . 2 .]" 1
856 1 30 PHE HA 1 30 PHE QD 3.000 . 5.000 2.812 2.122 3.119 . 0 0 "[ . 1 . 2 .]" 1
857 1 30 PHE HZ 1 38 ILE QG 4.746 . 4.746 4.449 3.750 4.718 . 0 0 "[ . 1 . 2 .]" 1
858 1 4 GLY H 1 23 ILE MD 5.000 3.800 6.000 3.992 2.780 5.030 1.020 10 5 "[ - *. * + *. 2 .]" 1
859 1 38 ILE HA 1 38 ILE MG 3.000 2.200 4.000 2.465 2.259 2.587 . 0 0 "[ . 1 . 2 .]" 1
860 1 27 PHE QB 1 38 ILE QG 8.487 . 8.487 4.933 4.282 5.294 . 0 0 "[ . 1 . 2 .]" 1
861 1 38 ILE HB 1 38 ILE MD 5.000 3.300 6.000 2.627 2.541 3.328 0.759 8 24 "[*******+************-* **]" 1
862 1 38 ILE HB 1 38 ILE QG 6.746 2.054 6.746 2.415 2.066 2.581 . 0 0 "[ . 1 . 2 .]" 1
863 1 38 ILE MD 1 38 ILE QG 3.000 2.200 4.000 1.947 1.931 1.965 0.269 23 0 "[ . 1 . 2 .]" 1
864 1 38 ILE MD 1 38 ILE MG 3.000 . 5.000 3.291 2.763 3.368 . 0 0 "[ . 1 . 2 .]" 1
865 1 82 ILE HA 1 82 ILE MD 3.800 2.800 4.800 2.344 2.117 3.396 0.683 18 20 "[********** ***. *+ -** **]" 1
866 1 24 LEU HA 1 24 LEU MD1 3.800 . 4.800 2.947 2.269 3.834 . 0 0 "[ . 1 . 2 .]" 1
867 1 9 VAL HA 1 9 VAL QG 3.000 . 4.000 2.269 2.167 2.383 . 0 0 "[ . 1 . 2 .]" 1
868 1 43 LEU HA 1 43 LEU HG 3.000 . 3.000 2.968 2.248 3.108 0.108 13 0 "[ . 1 . 2 .]" 1
869 1 46 VAL HA 1 46 VAL QG 3.000 . 4.000 2.241 2.018 2.733 . 0 0 "[ . 1 . 2 .]" 1
870 1 82 ILE HB 1 82 ILE MD 3.000 . 4.000 2.604 2.284 3.342 . 0 0 "[ . 1 . 2 .]" 1
871 1 50 LEU HB2 1 50 LEU QD 3.000 . 4.000 2.253 2.057 2.605 . 0 0 "[ . 1 . 2 .]" 1
872 1 50 LEU HB3 1 50 LEU QD 3.000 . 4.000 2.251 2.090 2.628 . 0 0 "[ . 1 . 2 .]" 1
873 1 74 VAL HA 1 74 VAL QG 3.000 . 4.000 2.250 2.190 2.323 . 0 0 "[ . 1 . 2 .]" 1
874 1 11 THR HA 1 11 THR MG 3.000 . 4.000 2.488 2.350 2.696 . 0 0 "[ . 1 . 2 .]" 1
875 1 8 THR HA 1 8 THR MG 3.000 . 4.000 2.669 2.301 3.350 . 0 0 "[ . 1 . 2 .]" 1
876 1 73 GLU HA 1 73 GLU QG 3.000 2.400 4.000 3.451 3.142 3.515 . 0 0 "[ . 1 . 2 .]" 1
877 1 39 SER HA 1 39 SER HB2 3.000 2.400 3.000 2.567 2.492 3.030 0.030 19 0 "[ . 1 . 2 .]" 1
878 1 75 SER HA 1 75 SER HB2 3.000 2.400 3.000 2.764 2.367 3.059 0.059 20 0 "[ . 1 . 2 .]" 1
879 1 75 SER HA 1 75 SER HB3 3.000 2.400 3.000 2.647 2.362 3.055 0.055 22 0 "[ . 1 . 2 .]" 1
880 1 39 SER HA 1 39 SER HB3 3.000 2.400 3.000 2.559 2.353 3.066 0.066 17 0 "[ . 1 . 2 .]" 1
881 1 11 THR HA 1 11 THR HB 3.000 . 3.000 2.495 2.340 2.609 . 0 0 "[ . 1 . 2 .]" 1
882 1 8 THR HA 1 8 THR HB 3.000 . 3.000 2.923 2.365 3.131 0.131 12 0 "[ . 1 . 2 .]" 1
883 1 63 ILE MG 1 67 ASP QB 3.800 3.000 4.800 2.420 2.194 3.034 0.806 9 18 "[*-* *** +*** ******* *.]" 1
884 1 67 ASP QB 1 74 VAL QG 5.000 3.500 6.000 3.565 3.255 4.165 0.245 11 0 "[ . 1 . 2 .]" 1
885 1 66 ALA MB 1 67 ASP QB 6.758 2.042 7.758 3.556 3.268 3.824 . 0 0 "[ . 1 . 2 .]" 1
886 1 56 ASP HA 1 56 ASP HB2 3.800 2.400 3.800 2.633 2.487 2.987 . 0 0 "[ . 1 . 2 .]" 1
887 1 56 ASP HA 1 56 ASP HB3 3.800 2.400 3.800 2.457 2.344 3.060 0.056 23 0 "[ . 1 . 2 .]" 1
888 1 74 VAL HA 1 74 VAL HB 3.500 2.800 3.500 3.051 3.015 3.084 . 0 0 "[ . 1 . 2 .]" 1
889 1 5 ASP HA 1 5 ASP HB3 3.000 2.200 3.000 2.726 2.391 3.059 0.059 21 0 "[ . 1 . 2 .]" 1
890 1 5 ASP HA 1 5 ASP HB2 3.000 2.200 3.000 2.723 2.385 3.057 0.057 5 0 "[ . 1 . 2 .]" 1
891 1 68 ARG HA 1 68 ARG QD 3.000 . 4.000 2.688 2.140 3.517 . 0 0 "[ . 1 . 2 .]" 1
892 1 68 ARG HA 1 68 ARG QG 3.800 3.000 4.800 2.646 2.389 3.117 0.611 9 8 "[* * . *+1 * * - *.]" 1
893 1 79 PHE HA 1 79 PHE HB3 3.800 2.500 3.800 3.081 3.042 3.136 . 0 0 "[ . 1 . 2 .]" 1
894 1 79 PHE HA 1 79 PHE HB2 3.800 2.500 3.800 2.401 2.393 2.422 0.107 6 0 "[ . 1 . 2 .]" 1
895 1 32 ASP HA 1 32 ASP HB3 3.000 . 3.000 2.413 2.237 3.052 0.052 7 0 "[ . 1 . 2 .]" 1
896 1 32 ASP HA 1 32 ASP HB2 3.000 . 3.000 2.732 2.459 3.061 0.061 24 0 "[ . 1 . 2 .]" 1
897 1 62 MET HA 1 62 MET HB3 3.000 . 3.000 2.583 2.356 3.012 0.012 16 0 "[ . 1 . 2 .]" 1
898 1 62 MET HA 1 62 MET HB2 3.000 . 3.000 2.927 2.288 3.047 0.047 17 0 "[ . 1 . 2 .]" 1
899 1 82 ILE HA 1 82 ILE QG 3.500 2.200 4.500 2.871 2.408 3.237 . 0 0 "[ . 1 . 2 .]" 1
900 1 47 ALA HA 1 47 ALA MB 3.000 . 4.000 2.183 2.143 2.198 . 0 0 "[ . 1 . 2 .]" 1
901 1 29 LEU HA 1 29 LEU HG 3.500 2.800 3.500 3.344 2.911 3.646 0.146 6 0 "[ . 1 . 2 .]" 1
902 1 49 GLU HA 1 49 GLU QG 3.000 . 4.000 2.515 2.274 2.780 . 0 0 "[ . 1 . 2 .]" 1
903 1 45 ARG HA 1 45 ARG QB 3.800 2.400 4.800 2.394 2.177 2.659 0.223 18 0 "[ . 1 . 2 .]" 1
904 1 45 ARG HA 1 45 ARG QG 3.800 3.000 4.800 2.975 2.435 3.742 0.565 14 3 "[ -. 1 +. 2* .]" 1
905 1 57 GLU HA 1 57 GLU HB3 3.000 . 3.000 2.514 2.323 2.572 . 0 0 "[ . 1 . 2 .]" 1
906 1 57 GLU HA 1 57 GLU HB2 3.000 . 3.000 2.688 2.264 3.049 0.049 1 0 "[ . 1 . 2 .]" 1
907 1 77 GLN HA 1 77 GLN QG 3.000 . 4.000 3.381 2.449 3.650 . 0 0 "[ . 1 . 2 .]" 1
908 1 60 GLN HA 1 60 GLN HG3 3.800 2.200 3.800 3.158 2.694 3.632 . 0 0 "[ . 1 . 2 .]" 1
909 1 60 GLN HA 1 60 GLN HG2 3.800 2.200 3.800 3.198 2.507 3.733 . 0 0 "[ . 1 . 2 .]" 1
910 1 9 VAL HA 1 9 VAL HB 3.000 . 3.000 2.922 2.784 3.039 0.039 20 0 "[ . 1 . 2 .]" 1
911 1 44 LYS HA 1 44 LYS HG3 3.500 2.200 3.500 3.236 2.965 3.699 0.199 8 0 "[ . 1 . 2 .]" 1
912 1 44 LYS HA 1 44 LYS HG2 3.500 2.200 3.500 2.751 2.298 3.682 0.182 10 0 "[ . 1 . 2 .]" 1
913 1 44 LYS HA 1 47 ALA MB 3.500 . 4.500 2.390 2.086 2.535 . 0 0 "[ . 1 . 2 .]" 1
914 1 45 ARG QB 1 46 VAL HA 3.800 2.800 4.800 3.954 3.646 4.352 . 0 0 "[ . 1 . 2 .]" 1
915 1 46 VAL HA 1 46 VAL HB 3.000 . 3.200 2.732 2.021 3.031 . 0 0 "[ . 1 . 2 .]" 1
916 1 63 ILE HA 1 63 ILE MG 3.000 . 4.000 2.731 2.595 2.934 . 0 0 "[ . 1 . 2 .]" 1
917 1 63 ILE HA 1 63 ILE HB 3.800 3.000 3.800 3.028 2.984 3.081 0.016 2 0 "[ . 1 . 2 .]" 1
918 1 43 LEU QD 1 63 ILE HA 5.000 3.800 7.400 3.562 3.262 3.885 0.538 2 2 "[ + . 1 . 2 - .]" 1
919 1 68 ARG HB3 1 68 ARG QD 3.500 . 4.500 3.380 2.603 3.709 . 0 0 "[ . 1 . 2 .]" 1
920 1 68 ARG HB2 1 68 ARG QD 3.500 . 4.500 3.015 2.265 3.674 . 0 0 "[ . 1 . 2 .]" 1
921 1 40 PHE HB3 1 63 ILE MG 4.744 . 5.744 4.810 4.535 5.693 . 0 0 "[ . 1 . 2 .]" 1
922 1 49 GLU QB 1 50 LEU HG 4.742 . 5.542 4.452 3.625 5.388 . 0 0 "[ . 1 . 2 .]" 1
923 1 46 VAL HB 1 50 LEU HB2 4.743 . 5.543 5.415 3.184 5.712 0.169 11 0 "[ . 1 . 2 .]" 1
924 1 48 LYS QB 1 48 LYS QG 3.000 2.200 5.000 2.090 1.946 2.180 0.254 23 0 "[ . 1 . 2 .]" 1
925 1 82 ILE HB 1 82 ILE QG 3.200 2.200 4.200 2.332 2.098 2.499 0.102 23 0 "[ . 1 . 2 .]" 1
926 1 74 VAL QG 1 78 GLU HB2 5.527 . 6.527 2.819 2.068 4.258 . 0 0 "[ . 1 . 2 .]" 1
927 1 66 ALA MB 1 74 VAL QG 3.800 3.000 5.800 1.756 1.717 1.820 1.283 12 25 [*******-***+*************] 1
928 1 66 ALA MB 1 74 VAL HB 3.800 3.000 4.800 3.851 3.748 3.926 . 0 0 "[ . 1 . 2 .]" 1
929 1 71 ASP HA 1 71 ASP HB3 3.000 . 3.800 2.692 2.350 3.090 . 0 0 "[ . 1 . 2 .]" 1
930 1 71 ASP HA 1 71 ASP HB2 3.000 . 3.800 2.722 2.252 3.127 . 0 0 "[ . 1 . 2 .]" 1
931 1 33 ASP HA 1 33 ASP HB3 3.000 . 3.000 2.780 2.348 3.072 0.072 16 0 "[ . 1 . 2 .]" 1
932 1 33 ASP HA 1 33 ASP HB2 3.000 . 3.000 2.681 2.419 3.065 0.065 10 0 "[ . 1 . 2 .]" 1
933 1 64 ASP HA 1 64 ASP HB3 3.000 . 3.800 2.986 2.339 3.177 . 0 0 "[ . 1 . 2 .]" 1
934 1 64 ASP HA 1 64 ASP HB2 3.000 . 3.200 2.633 2.299 3.084 . 0 0 "[ . 1 . 2 .]" 1
935 1 37 LYS QB 1 75 SER HA 3.800 3.000 4.800 3.888 2.670 4.390 0.330 6 0 "[ . 1 . 2 .]" 1
936 1 30 PHE QB 1 36 GLY QA 6.485 . 6.485 5.553 5.034 5.932 . 0 0 "[ . 1 . 2 .]" 1
937 1 60 GLN HE22 1 63 ILE MG 3.000 . 4.000 2.138 1.632 2.685 0.168 25 0 "[ . 1 . 2 .]" 1
938 1 10 MET QG 1 50 LEU HG 3.800 . 3.800 3.150 2.069 3.527 . 0 0 "[ . 1 . 2 .]" 1
939 1 63 ILE MD 1 66 ALA MB 3.000 . 5.000 3.172 3.023 3.301 . 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 70
_Distance_constraint_stats_list.Viol_count 555
_Distance_constraint_stats_list.Viol_total 712.919
_Distance_constraint_stats_list.Viol_max 1.201
_Distance_constraint_stats_list.Viol_rms 0.0645
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0163
_Distance_constraint_stats_list.Viol_average_violations_only 0.0514
_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 3 PHE 0.520 0.110 4 0 "[ . 1 . 2 .]"
1 4 GLY 0.115 0.041 5 0 "[ . 1 . 2 .]"
1 5 ASP 0.098 0.034 17 0 "[ . 1 . 2 .]"
1 6 PHE 0.942 0.094 14 0 "[ . 1 . 2 .]"
1 7 LEU 0.614 0.110 4 0 "[ . 1 . 2 .]"
1 8 THR 0.115 0.041 5 0 "[ . 1 . 2 .]"
1 9 VAL 0.098 0.034 17 0 "[ . 1 . 2 .]"
1 10 MET 0.942 0.094 14 0 "[ . 1 . 2 .]"
1 11 THR 0.093 0.063 2 0 "[ . 1 . 2 .]"
1 22 GLU 0.242 0.030 3 0 "[ . 1 . 2 .]"
1 23 ILE 0.590 0.100 13 0 "[ . 1 . 2 .]"
1 24 LEU 0.644 0.065 3 0 "[ . 1 . 2 .]"
1 25 LYS 0.114 0.037 18 0 "[ . 1 . 2 .]"
1 26 ALA 0.815 0.074 13 0 "[ . 1 . 2 .]"
1 27 PHE 0.590 0.100 13 0 "[ . 1 . 2 .]"
1 28 LYS 0.644 0.065 3 0 "[ . 1 . 2 .]"
1 29 LEU 0.114 0.037 18 0 "[ . 1 . 2 .]"
1 30 PHE 0.573 0.074 13 0 "[ . 1 . 2 .]"
1 31 ASP 7.468 1.201 9 4 "[ . +1 * .* 2* .]"
1 34 GLU 0.042 0.018 17 0 "[ . 1 . 2 .]"
1 36 GLY 7.426 1.201 9 4 "[ . +1 * .* 2* .]"
1 38 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 SER 0.057 0.013 20 0 "[ . 1 . 2 .]"
1 40 PHE 0.995 0.084 15 0 "[ . 1 . 2 .]"
1 41 LYS 2.376 0.166 2 0 "[ . 1 . 2 .]"
1 42 ASN 0.149 0.036 17 0 "[ . 1 . 2 .]"
1 43 LEU 0.076 0.025 20 0 "[ . 1 . 2 .]"
1 44 LYS 2.313 0.106 2 0 "[ . 1 . 2 .]"
1 45 ARG 2.898 0.166 2 0 "[ . 1 . 2 .]"
1 46 VAL 0.092 0.036 17 0 "[ . 1 . 2 .]"
1 47 ALA 0.076 0.025 20 0 "[ . 1 . 2 .]"
1 48 LYS 1.318 0.106 2 0 "[ . 1 . 2 .]"
1 49 GLU 0.522 0.085 5 0 "[ . 1 . 2 .]"
1 55 THR 1.433 0.131 13 0 "[ . 1 . 2 .]"
1 56 ASP 0.280 0.040 15 0 "[ . 1 . 2 .]"
1 57 GLU 0.367 0.059 23 0 "[ . 1 . 2 .]"
1 58 GLU 1.459 0.102 19 0 "[ . 1 . 2 .]"
1 59 LEU 2.069 0.131 13 0 "[ . 1 . 2 .]"
1 60 GLN 0.296 0.040 15 0 "[ . 1 . 2 .]"
1 61 GLU 0.825 0.066 14 0 "[ . 1 . 2 .]"
1 62 MET 2.264 0.102 19 0 "[ . 1 . 2 .]"
1 63 ILE 0.636 0.073 3 0 "[ . 1 . 2 .]"
1 64 ASP 0.016 0.008 23 0 "[ . 1 . 2 .]"
1 65 GLU 0.458 0.066 14 0 "[ . 1 . 2 .]"
1 66 ALA 0.805 0.087 12 0 "[ . 1 . 2 .]"
1 67 ASP 3.564 0.455 17 0 "[ . 1 . 2 .]"
1 70 GLY 2.017 0.143 18 0 "[ . 1 . 2 .]"
1 72 GLY 1.547 0.455 17 0 "[ . 1 . 2 .]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 75 SER 1.552 0.094 15 0 "[ . 1 . 2 .]"
1 76 GLU 0.946 0.078 9 0 "[ . 1 . 2 .]"
1 77 GLN 0.165 0.063 18 0 "[ . 1 . 2 .]"
1 78 GLU 0.688 0.088 8 0 "[ . 1 . 2 .]"
1 79 PHE 0.863 0.094 15 0 "[ . 1 . 2 .]"
1 80 LEU 0.946 0.078 9 0 "[ . 1 . 2 .]"
1 81 ARG 0.165 0.063 18 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 3 PHE O 1 7 LEU H . . 2.200 2.144 1.789 2.310 0.110 4 0 "[ . 1 . 2 .]" 2
2 1 3 PHE O 1 7 LEU N . 2.700 3.300 3.076 2.767 3.316 0.016 4 0 "[ . 1 . 2 .]" 2
3 1 4 GLY O 1 8 THR H . . 2.200 1.987 1.759 2.220 0.041 5 0 "[ . 1 . 2 .]" 2
4 1 4 GLY O 1 8 THR N . 2.700 3.300 2.976 2.772 3.251 . 0 0 "[ . 1 . 2 .]" 2
5 1 5 ASP O 1 9 VAL H . . 2.200 2.080 1.884 2.234 0.034 17 0 "[ . 1 . 2 .]" 2
6 1 5 ASP O 1 9 VAL N . 2.700 3.300 3.063 2.865 3.244 . 0 0 "[ . 1 . 2 .]" 2
7 1 6 PHE O 1 10 MET H . . 2.200 2.172 1.852 2.294 0.094 14 0 "[ . 1 . 2 .]" 2
8 1 6 PHE O 1 10 MET N . 2.700 3.300 3.167 2.853 3.311 0.011 14 0 "[ . 1 . 2 .]" 2
9 1 7 LEU O 1 11 THR H . . 2.200 1.981 1.786 2.263 0.063 2 0 "[ . 1 . 2 .]" 2
10 1 7 LEU O 1 11 THR N . 2.700 3.300 2.933 2.765 3.183 . 0 0 "[ . 1 . 2 .]" 2
11 1 38 ILE N 1 74 VAL O . 2.500 3.300 3.077 2.881 3.182 . 0 0 "[ . 1 . 2 .]" 2
12 1 38 ILE H 1 74 VAL O . . 2.300 2.100 1.894 2.200 . 0 0 "[ . 1 . 2 .]" 2
13 1 38 ILE O 1 74 VAL N . 2.500 3.300 2.943 2.814 3.135 . 0 0 "[ . 1 . 2 .]" 2
14 1 38 ILE O 1 74 VAL H . . 2.300 1.981 1.816 2.216 . 0 0 "[ . 1 . 2 .]" 2
15 1 67 ASP OD2 1 72 GLY N . 2.700 3.500 3.089 2.775 3.598 0.098 16 0 "[ . 1 . 2 .]" 2
16 1 67 ASP OD2 1 72 GLY H . . 2.500 2.368 1.795 2.955 0.455 17 0 "[ . 1 . 2 .]" 2
17 1 31 ASP OD2 1 36 GLY N . 2.700 3.500 3.271 2.859 4.029 0.529 9 1 "[ . +1 . 2 .]" 2
18 1 31 ASP OD2 1 36 GLY H . . 2.500 2.631 1.850 3.701 1.201 9 4 "[ . +1 * .* 2- .]" 2
19 1 31 ASP O 1 34 GLU H . . 2.500 2.076 1.824 2.518 0.018 17 0 "[ . 1 . 2 .]" 2
20 1 31 ASP O 1 34 GLU N . 2.700 3.500 3.000 2.837 3.439 . 0 0 "[ . 1 . 2 .]" 2
21 1 67 ASP O 1 70 GLY H . . 2.500 2.192 2.051 2.509 0.009 21 0 "[ . 1 . 2 .]" 2
22 1 67 ASP O 1 70 GLY N . . 3.000 3.080 3.043 3.143 0.143 18 0 "[ . 1 . 2 .]" 2
23 1 39 SER O 1 42 ASN H . . 2.500 2.412 2.138 2.513 0.013 20 0 "[ . 1 . 2 .]" 2
24 1 39 SER O 1 42 ASN N . 2.700 3.500 3.271 3.082 3.416 . 0 0 "[ . 1 . 2 .]" 2
25 1 75 SER O 1 78 GLU H . . 2.500 2.527 2.492 2.588 0.088 8 0 "[ . 1 . 2 .]" 2
26 1 75 SER O 1 78 GLU N . 2.700 3.500 3.220 3.082 3.314 . 0 0 "[ . 1 . 2 .]" 2
27 1 22 GLU O 1 26 ALA H . . 2.200 1.846 1.770 2.208 0.030 3 0 "[ . 1 . 2 .]" 2
28 1 22 GLU O 1 26 ALA N . 2.700 3.300 2.838 2.739 3.216 . 0 0 "[ . 1 . 2 .]" 2
29 1 23 ILE O 1 27 PHE H . . 2.200 2.205 2.006 2.300 0.100 13 0 "[ . 1 . 2 .]" 2
30 1 23 ILE O 1 27 PHE N . 2.700 3.300 3.164 2.945 3.305 0.005 13 0 "[ . 1 . 2 .]" 2
31 1 24 LEU O 1 28 LYS H . . 2.200 2.224 2.159 2.265 0.065 3 0 "[ . 1 . 2 .]" 2
32 1 24 LEU O 1 28 LYS N . 2.700 3.300 3.131 3.033 3.208 . 0 0 "[ . 1 . 2 .]" 2
33 1 25 LYS O 1 29 LEU H . . 2.200 2.069 1.864 2.237 0.037 18 0 "[ . 1 . 2 .]" 2
34 1 25 LYS O 1 29 LEU N . 2.700 3.300 3.059 2.853 3.234 . 0 0 "[ . 1 . 2 .]" 2
35 1 26 ALA O 1 30 PHE H . . 2.200 2.198 2.037 2.274 0.074 13 0 "[ . 1 . 2 .]" 2
36 1 26 ALA O 1 30 PHE N . 2.700 3.300 3.056 2.912 3.207 . 0 0 "[ . 1 . 2 .]" 2
37 1 40 PHE O 1 44 LYS H . . 2.200 2.227 2.085 2.284 0.084 15 0 "[ . 1 . 2 .]" 2
38 1 40 PHE O 1 44 LYS N . 2.700 3.300 3.216 3.092 3.267 . 0 0 "[ . 1 . 2 .]" 2
39 1 41 LYS O 1 45 ARG H . . 2.200 2.288 2.217 2.366 0.166 2 0 "[ . 1 . 2 .]" 2
40 1 41 LYS O 1 45 ARG N . 2.700 3.300 3.267 3.186 3.359 0.059 3 0 "[ . 1 . 2 .]" 2
41 1 42 ASN O 1 46 VAL H . . 2.200 2.122 1.888 2.236 0.036 17 0 "[ . 1 . 2 .]" 2
42 1 42 ASN O 1 46 VAL N . 2.700 3.300 3.125 2.879 3.259 . 0 0 "[ . 1 . 2 .]" 2
43 1 43 LEU O 1 47 ALA H . . 2.200 1.971 1.783 2.225 0.025 20 0 "[ . 1 . 2 .]" 2
44 1 43 LEU O 1 47 ALA N . 2.700 3.300 2.913 2.738 3.197 . 0 0 "[ . 1 . 2 .]" 2
45 1 44 LYS O 1 48 LYS H . . 2.200 2.236 1.993 2.306 0.106 2 0 "[ . 1 . 2 .]" 2
46 1 44 LYS O 1 48 LYS N . 2.700 3.300 3.250 2.997 3.323 0.023 13 0 "[ . 1 . 2 .]" 2
47 1 45 ARG O 1 49 GLU H . . 2.200 2.113 1.853 2.285 0.085 5 0 "[ . 1 . 2 .]" 2
48 1 45 ARG O 1 49 GLU N . 2.700 3.300 3.093 2.800 3.309 0.009 5 0 "[ . 1 . 2 .]" 2
49 1 55 THR O 1 59 LEU H . . 2.200 2.234 1.956 2.331 0.131 13 0 "[ . 1 . 2 .]" 2
50 1 55 THR O 1 59 LEU N . 2.700 3.300 3.239 2.960 3.330 0.030 13 0 "[ . 1 . 2 .]" 2
51 1 56 ASP O 1 60 GLN H . . 2.200 2.174 1.972 2.240 0.040 15 0 "[ . 1 . 2 .]" 2
52 1 56 ASP O 1 60 GLN N . 2.700 3.300 3.089 2.881 3.214 . 0 0 "[ . 1 . 2 .]" 2
53 1 57 GLU O 1 61 GLU H . . 2.200 2.168 1.983 2.259 0.059 23 0 "[ . 1 . 2 .]" 2
54 1 57 GLU O 1 61 GLU N . 2.700 3.300 3.118 2.960 3.214 . 0 0 "[ . 1 . 2 .]" 2
55 1 58 GLU O 1 62 MET H . . 2.200 2.257 2.183 2.302 0.102 19 0 "[ . 1 . 2 .]" 2
56 1 58 GLU O 1 62 MET N . 2.700 3.300 3.244 3.131 3.313 0.013 12 0 "[ . 1 . 2 .]" 2
57 1 59 LEU O 1 63 ILE H . . 2.200 2.225 2.194 2.273 0.073 3 0 "[ . 1 . 2 .]" 2
58 1 59 LEU O 1 63 ILE N . 2.700 3.300 3.132 3.052 3.202 . 0 0 "[ . 1 . 2 .]" 2
59 1 60 GLN O 1 64 ASP H . . 2.200 2.006 1.831 2.208 0.008 23 0 "[ . 1 . 2 .]" 2
60 1 60 GLN O 1 64 ASP N . 2.700 3.300 3.024 2.843 3.232 . 0 0 "[ . 1 . 2 .]" 2
61 1 61 GLU O 1 65 GLU H . . 2.200 2.185 1.958 2.266 0.066 14 0 "[ . 1 . 2 .]" 2
62 1 61 GLU O 1 65 GLU N . 2.700 3.300 3.212 2.962 3.301 0.001 15 0 "[ . 1 . 2 .]" 2
63 1 62 MET O 1 66 ALA H . . 2.200 2.208 2.012 2.287 0.087 12 0 "[ . 1 . 2 .]" 2
64 1 62 MET O 1 66 ALA N . 2.700 3.300 3.180 2.976 3.281 . 0 0 "[ . 1 . 2 .]" 2
65 1 75 SER O 1 79 PHE H . . 2.200 2.219 2.053 2.294 0.094 15 0 "[ . 1 . 2 .]" 2
66 1 75 SER O 1 79 PHE N . 2.700 3.300 3.083 2.952 3.242 . 0 0 "[ . 1 . 2 .]" 2
67 1 76 GLU O 1 80 LEU H . . 2.200 2.222 2.043 2.278 0.078 9 0 "[ . 1 . 2 .]" 2
68 1 76 GLU O 1 80 LEU N . 2.700 3.300 3.226 3.021 3.328 0.028 5 0 "[ . 1 . 2 .]" 2
69 1 77 GLN O 1 81 ARG H . . 2.200 2.125 1.875 2.263 0.063 18 0 "[ . 1 . 2 .]" 2
70 1 77 GLN O 1 81 ARG N . 2.700 3.300 3.013 2.835 3.281 . 0 0 "[ . 1 . 2 .]" 2
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