NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
384960 |
1ks0   |
5262 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ks0
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 562
_Distance_constraint_stats_list.Viol_count 8995
_Distance_constraint_stats_list.Viol_total 208234.078
_Distance_constraint_stats_list.Viol_max 3.471
_Distance_constraint_stats_list.Viol_rms 0.3980
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1482
_Distance_constraint_stats_list.Viol_average_violations_only 0.4630
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ARG 154.089 3.471 16 50 [***************+******************-***************]
1 2 ILE 160.508 3.471 16 50 [***************+*************-********************]
1 3 PRO 5.622 0.981 14 5 "[ - . 1 *+. * 2 * . 3 . 4 . 5]"
1 4 VAL 476.260 2.944 25 50 [************************+***************-*********]
1 5 LYS 308.828 2.977 31 50 [*-****************************+*******************]
1 6 TYR 436.797 3.383 27 50 [*-************************+***********************]
1 7 GLY 180.305 2.078 29 49 "[******************-*********+* *******************]"
1 8 ASN 205.848 2.204 11 50 [********-*+***************************************]
1 9 ALA 388.901 2.701 14 50 [********-****+************************************]
1 10 ASP 0.001 0.001 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 11 GLY 77.619 2.944 25 50 [**********-*************+*************************]
1 12 GLU 17.109 0.923 14 16 "[* * . * 1 *+. ** *-.* * 3 * ** 4 * .* 5]"
1 13 TYR 76.541 2.901 21 32 "[ * ** ** 1 * .*****+***** *3******* *4- *****5]"
1 14 CYS 126.603 2.631 14 50 [**-**********+************************************]
1 15 LYS 10.544 0.487 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 16 PHE 114.046 1.450 1 50 [+************************************************-]
1 17 PRO 33.371 0.872 50 38 "[ ***** ***** ** * ****************-***4 **. ** +]"
1 18 PHE 172.858 2.229 45 50 [***************************************-****+*****]
1 19 LEU 164.960 1.712 32 50 [*******************************+****************-*]
1 20 PHE 442.455 2.520 30 50 [*******-*********************+********************]
1 21 ASN 4.474 0.308 12 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 22 GLY 6.272 0.194 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 23 LYS 72.312 1.446 30 50 [*****************************+-*******************]
1 24 GLU 25.900 0.550 22 2 "[ . 1 . 2 + . 3 -. 4 . 5]"
1 25 TYR 193.446 1.446 30 50 [****************************-+********************]
1 26 ASN 5.915 0.310 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 28 CYS 3.969 0.134 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 THR 238.241 2.520 30 50 [*********-*******************+********************]
1 30 ASP 56.225 0.875 34 3 "[ . 1 . 2 . 3 +.- 4* . 5]"
1 31 THR 274.435 2.129 31 50 [******************************+****-**************]
1 32 GLY 9.217 0.380 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 ARG 101.964 1.364 47 50 [******-***************************************+***]
1 34 SER 0.067 0.052 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 ASP 39.992 0.388 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 36 GLY 22.766 0.875 34 1 "[ . 1 . 2 . 3 +. 4 . 5]"
1 37 PHE 143.407 2.110 4 50 [***+*********************************************-]
1 38 LEU 10.572 0.268 49 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 TRP 415.439 2.529 26 50 [*********-***************+************************]
1 40 CYS 117.169 1.450 1 49 [+***.**********************************-**********]
1 41 SER 39.966 0.954 35 43 "[* **. *************************** +* *-***** ****]"
1 42 THR 91.910 1.234 37 43 "[**-***** *****.***** ***.****3 ****+*************]"
1 43 THR 50.507 1.087 33 43 "[******* ***** *** *************+*.***** **** ***-]"
1 44 TYR 5.489 0.308 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 ASN 197.271 1.712 32 50 [*******************************+****************-*]
1 46 PHE 158.866 2.053 37 50 [************************************+*********-***]
1 47 GLU 44.408 1.035 23 26 "[ **** 1** * * *2**+** * **** .*** 4 **. - *5]"
1 48 LYS 62.155 1.357 50 47 "[****************************** ***** **********- +]"
1 49 ASP 4.875 0.636 28 2 "[ . - . 2 . + 3 . 4 . 5]"
1 50 GLY 14.806 0.715 2 5 "[ + . *1 . 2 . 3 - * 4 . *]"
1 51 LYS 142.488 1.087 33 50 [********************************+**-**************]
1 52 TYR 551.577 2.645 22 50 [******************-**+****************************]
1 53 GLY 99.744 2.040 14 50 [*************+****************************-*******]
1 54 PHE 989.390 3.383 27 50 [**-***********************+***********************]
1 55 CYS 1.054 0.268 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 56 PRO 5.700 0.298 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 57 HIS 0.962 0.385 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 58 GLU 28.820 0.829 31 28 "[ * **** ** **.* *** * * * *+ *** ***-** . *]"
1 59 ALA 0.933 0.044 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ARG H1 1 1 ARG HA 2.700 2.200 3.200 2.596 2.148 2.951 0.052 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
2 1 1 ARG H1 1 1 ARG HB2 2.800 2.200 3.400 2.912 2.003 3.766 0.366 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
3 1 1 ARG H1 1 1 ARG HB3 3.600 2.900 4.300 3.169 2.285 4.121 0.615 25 4 "[ .* 1 * 2 + 3 - 4 . 5]" 1
4 1 1 ARG H1 1 1 ARG QG 3.300 2.600 4.000 3.851 1.869 4.557 0.731 44 3 "[- . 1 . 2 . 3 . 4* +. 5]" 1
5 1 1 ARG H1 1 2 ILE QG 3.200 2.600 3.800 5.787 2.486 7.271 3.471 16 49 "[****** ********+******-***************************]" 1
6 1 1 ARG HA 1 1 ARG HB2 2.200 . 2.600 2.615 2.342 2.982 0.382 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
7 1 1 ARG HA 1 1 ARG HB3 2.700 2.200 3.200 2.919 2.303 3.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
8 1 1 ARG HA 1 1 ARG HE 4.900 4.300 5.500 4.760 4.054 5.593 0.246 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
9 1 1 ARG HA 1 1 ARG QG 2.700 2.200 3.200 2.540 2.211 3.277 0.077 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
10 1 1 ARG QD 1 1 ARG HE 2.600 2.100 3.100 2.420 2.180 2.513 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
11 1 1 ARG QD 1 1 ARG QG 2.600 2.100 3.100 2.069 1.990 2.097 0.110 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
12 1 1 ARG HE 1 1 ARG QG 2.900 2.300 3.500 2.456 2.136 3.303 0.164 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
13 1 1 ARG HE 1 13 TYR HA 4.100 3.600 4.600 4.642 3.555 4.941 0.341 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
14 1 1 ARG HE 1 13 TYR HB2 2.300 . 2.800 2.651 2.185 3.003 0.203 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
15 1 1 ARG HE 1 13 TYR HB3 4.500 4.100 4.900 4.083 3.827 4.581 0.273 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
16 1 1 ARG QG 1 13 TYR QE 5.500 4.700 6.300 4.458 1.799 5.413 2.901 21 15 "[ * * 1 * . ** 2+ ** *3 -** 4* . ** 5]" 1
17 1 2 ILE H 1 2 ILE HA 2.300 . 2.800 2.767 2.177 2.930 0.130 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
18 1 2 ILE H 1 2 ILE HB 3.600 3.200 4.000 3.346 2.940 3.820 0.260 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
19 1 2 ILE H 1 2 ILE MG . 3.400 3.800 2.772 2.364 3.777 1.036 43 37 "[ ** .* *******.* ***** ** * *-* *******4* +**** **]" 1
20 1 2 ILE HA 1 2 ILE HB 2.400 . 2.900 2.549 2.225 2.996 0.096 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
21 1 2 ILE HA 1 2 ILE MG 3.700 3.200 4.200 2.877 2.223 3.234 0.977 15 18 "[ * .*** * + * 2 * *. * 3 *. **4* *. - **]" 1
22 1 2 ILE MG 1 3 PRO QG 4.600 3.700 5.500 4.133 2.719 4.670 0.981 14 5 "[ - . 1 *+. * 2 * . 3 . 4 . 5]" 1
23 1 3 PRO HA 1 3 PRO HB2 2.500 2.100 2.900 2.803 2.646 2.993 0.093 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
24 1 3 PRO HA 1 3 PRO HB3 2.400 . 2.900 2.276 2.242 2.336 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
25 1 3 PRO HA 1 3 PRO QG 3.100 2.500 3.700 3.315 2.776 3.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
26 1 3 PRO HB3 1 3 PRO QD 3.300 2.600 4.000 3.188 2.738 3.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
27 1 4 VAL H 1 4 VAL HA 2.900 2.300 3.500 2.794 2.259 2.964 0.041 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
28 1 4 VAL H 1 13 TYR HA 3.900 3.400 4.400 4.041 3.342 4.625 0.225 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
29 1 4 VAL H 1 14 CYS H 4.800 4.200 5.400 5.125 4.158 5.519 0.119 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
30 1 4 VAL HA 1 4 VAL QG 2.500 2.200 3.000 2.132 2.071 2.194 0.129 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
31 1 4 VAL HA 1 5 LYS QB 4.000 3.300 4.700 4.035 3.904 4.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
32 1 4 VAL HA 1 54 PHE H 4.700 4.100 5.300 4.583 4.035 5.076 0.065 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
33 1 4 VAL HB 1 4 VAL QG 2.500 . 3.000 1.878 1.853 1.905 0.147 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
34 1 4 VAL HB 1 5 LYS H 3.900 3.500 4.300 3.961 3.662 4.319 0.019 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
35 1 4 VAL HB 1 54 PHE H 6.000 5.500 6.500 5.928 5.476 6.190 0.024 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
36 1 4 VAL MG1 1 4 VAL MG2 2.900 2.300 3.500 2.000 1.814 2.077 0.486 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
37 1 4 VAL QG 1 5 LYS H . 3.600 4.000 2.182 1.636 2.911 1.964 8 50 [*******+****************************-*************] 1
38 1 4 VAL QG 1 9 ALA HA 6.500 5.800 7.200 4.499 4.075 4.883 1.725 14 50 [*************+****************-*******************] 1
39 1 4 VAL QG 1 9 ALA MB . 4.300 4.400 2.082 1.599 2.549 2.701 14 50 [*************+****************-*******************] 1
40 1 4 VAL QG 1 11 GLY H 6.500 5.900 7.100 4.421 2.956 5.263 2.944 25 50 [**********-*************+*************************] 1
41 1 4 VAL QG 1 13 TYR HA 3.500 2.800 4.200 2.439 1.996 3.314 0.804 16 22 "[ * *. * 1 * .+ ** ***.* *3***** *4- ** *5]" 1
42 1 4 VAL QG 1 14 CYS HA 6.100 5.400 6.800 3.235 2.769 3.883 2.631 14 50 [*******-*****+************************************] 1
43 1 4 VAL QG 1 54 PHE HA 4.900 4.200 5.600 4.296 4.003 4.507 0.197 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
44 1 5 LYS H 1 5 LYS QB 2.900 2.300 3.500 2.392 2.111 3.233 0.189 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
45 1 5 LYS H 1 54 PHE H 2.500 . 3.000 3.082 2.882 3.216 0.216 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
46 1 5 LYS H 1 54 PHE QD 5.600 4.900 6.300 5.127 4.522 5.546 0.378 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
47 1 5 LYS HA 1 5 LYS QB 3.000 2.400 3.600 2.490 2.064 2.541 0.336 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
48 1 5 LYS HA 1 5 LYS QD 3.200 2.600 3.800 2.189 1.724 4.011 0.876 44 34 "[ ***** * * ** **2***-* * ***** .****** *+* * **]" 1
49 1 5 LYS QB 1 5 LYS QG 2.300 . 2.700 1.994 1.939 2.076 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
50 1 5 LYS QB 1 6 TYR QD 4.000 3.200 4.800 2.774 1.737 3.623 1.463 28 22 "[ *** 1 *.* *2* * **-+ 3 * *. **4* **.* * *]" 1
51 1 5 LYS QB 1 6 TYR QE 5.300 4.500 6.100 3.345 2.794 4.187 1.706 5 49 "[****+************************* ***-***************]" 1
52 1 5 LYS QD 1 5 LYS QG 2.600 2.100 3.100 2.078 2.021 2.096 0.079 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
53 1 5 LYS QD 1 6 TYR QE 3.700 3.000 4.400 3.141 2.280 3.777 0.720 22 3 "[ - . 1 . * 2 + . 3 . 4 . 5]" 1
54 1 5 LYS QE 1 5 LYS QG 3.000 2.600 3.600 2.252 2.126 2.451 0.474 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
55 1 5 LYS QE 1 6 TYR QE 6.000 5.200 6.800 4.408 3.427 5.532 1.773 31 37 "[****** *** * ** ****** * ***-+***** **** * . ***5]" 1
56 1 5 LYS QG 1 6 TYR QD . 5.300 5.600 4.111 2.323 4.635 2.977 31 50 [******************************+****-**************] 1
57 1 6 TYR H 1 54 PHE QD 4.500 3.900 5.100 3.481 2.461 4.856 1.439 27 23 "[ *-** * *** . **2 *. + **** .* * ** * **]" 1
58 1 6 TYR HA 1 6 TYR HB2 2.800 2.200 3.400 3.013 2.700 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
59 1 6 TYR HA 1 6 TYR HB3 2.400 . 2.900 2.382 2.227 2.502 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
60 1 6 TYR HB2 1 6 TYR QD 3.000 2.400 3.600 2.402 2.279 2.768 0.121 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
61 1 6 TYR HB3 1 6 TYR QD 2.800 2.200 3.400 2.542 2.288 2.785 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
62 1 6 TYR HB3 1 7 GLY H 2.500 . 3.000 2.554 2.056 3.027 0.027 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
63 1 6 TYR QD 1 7 GLY H 4.000 3.400 4.600 4.102 3.672 4.400 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
64 1 6 TYR QD 1 54 PHE QD 6.000 5.300 6.700 2.862 1.917 4.390 3.383 27 50 [**************************+-**********************] 1
65 1 6 TYR QE 1 54 PHE QD 7.700 6.900 8.500 4.804 3.634 6.168 3.266 21 50 [********************+******-**********************] 1
66 1 7 GLY H 1 7 GLY QA . . 2.400 2.353 2.309 2.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
67 1 7 GLY H 1 52 TYR QE 6.500 5.700 7.300 5.383 4.677 6.043 1.023 46 19 "[** ** ** * . * -2 * .* **3 * . * 4 * .+** 5]" 1
68 1 7 GLY H 1 54 PHE QD 6.500 5.900 7.100 4.845 3.928 6.466 1.972 14 36 "[***** * *****+* **2 **.***** * ******- * ** ***]" 1
69 1 7 GLY H 1 54 PHE QE 6.500 5.900 7.100 4.970 3.822 6.610 2.078 29 36 "[***** * ******* **2 **.***+* * ******- * ** ***]" 1
70 1 7 GLY QA 1 8 ASN H . . 2.200 2.212 2.171 2.263 0.063 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
71 1 7 GLY QA 1 9 ALA H 4.000 3.700 4.700 3.169 3.073 3.298 0.627 7 39 "[******+***** ** **-*** *** ** * .*** * *********]" 1
72 1 7 GLY QA 1 52 TYR QE . 3.800 3.900 3.122 2.535 3.609 1.265 46 33 "[** **** ** *-.** ** * ** **3 **** ****** .+** *]" 1
73 1 8 ASN H 1 8 ASN HA 2.500 . 3.000 2.926 2.762 2.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
74 1 8 ASN H 1 8 ASN HB3 2.900 2.300 3.500 2.873 2.480 3.104 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
75 1 8 ASN H 1 8 ASN QD 4.000 3.300 4.700 4.211 3.593 4.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
76 1 8 ASN H 1 9 ALA H 2.700 2.200 3.200 2.379 2.165 2.903 0.035 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
77 1 8 ASN H 1 9 ALA MB 5.100 4.400 5.800 3.785 3.550 4.462 0.850 41 46 "[********-*********** **** **************+ *******]" 1
78 1 8 ASN H 1 52 TYR QE 3.500 2.800 4.200 3.785 3.186 4.215 0.015 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
79 1 8 ASN HA 1 8 ASN HB2 2.100 . 2.500 2.398 2.352 2.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
80 1 8 ASN HA 1 8 ASN HB3 2.100 . 2.500 2.488 2.389 2.554 0.054 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
81 1 8 ASN HA 1 9 ALA H 2.700 2.200 3.200 3.155 2.930 3.389 0.189 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
82 1 8 ASN HB2 1 8 ASN QD 3.000 2.400 3.600 2.223 2.132 2.825 0.268 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
83 1 8 ASN HB3 1 9 ALA H 4.400 3.800 5.000 4.419 4.272 4.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
84 1 8 ASN QD 1 9 ALA H 5.400 5.000 5.800 5.033 4.539 5.253 0.461 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
85 1 8 ASN QD 1 9 ALA HA 6.300 5.900 6.700 5.059 4.658 5.726 1.242 37 48 "[********** * ***********************+*******-*****]" 1
86 1 8 ASN QD 1 9 ALA MB 6.000 5.300 6.700 5.110 4.711 5.453 0.589 46 2 "[ . 1 . 2 .- 3 . 4 .+ 5]" 1
87 1 8 ASN QD 1 51 LYS HA 2.800 2.300 3.300 2.383 2.139 3.294 0.161 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
88 1 8 ASN QD 1 52 TYR H 4.300 3.700 4.900 3.528 3.450 3.757 0.250 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
89 1 8 ASN QD 1 52 TYR QD 5.500 4.900 6.100 3.776 2.825 4.568 2.075 11 48 "[**********+**************-* ***************** ****]" 1
90 1 8 ASN QD 1 52 TYR QE 5.500 4.900 6.100 4.069 2.696 4.721 2.204 11 44 "[****.*****+*******-*** ** * ************* *** ****]" 1
91 1 9 ALA H 1 9 ALA HA 2.300 . 2.800 2.879 2.664 2.929 0.129 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
92 1 9 ALA H 1 9 ALA MB 2.700 2.200 3.200 2.223 2.018 2.378 0.182 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
93 1 9 ALA HA 1 9 ALA MB 2.200 . 2.600 2.099 2.058 2.128 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
94 1 9 ALA MB 1 12 GLU H 3.900 3.100 4.700 3.515 2.799 3.958 0.301 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
95 1 9 ALA MB 1 52 TYR H 3.600 2.900 4.300 3.235 2.788 3.613 0.112 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
96 1 9 ALA MB 1 53 GLY QA 5.400 4.700 6.100 2.849 2.660 3.253 2.040 14 50 [*************+****************************-*******] 1
97 1 10 ASP HA 1 10 ASP HB2 3.000 2.400 3.600 2.766 2.420 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
98 1 10 ASP HA 1 10 ASP HB3 2.900 2.300 3.500 2.712 2.299 3.031 0.001 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
99 1 11 GLY H 1 11 GLY HA2 2.300 . 2.800 2.661 2.292 2.936 0.136 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
100 1 11 GLY H 1 11 GLY HA3 2.500 . 3.000 2.761 2.309 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
101 1 11 GLY H 1 12 GLU HG3 5.400 4.800 6.000 5.094 4.663 6.039 0.137 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
102 1 12 GLU H 1 12 GLU HA 2.600 2.100 3.100 2.884 2.660 2.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
103 1 12 GLU H 1 12 GLU HB3 3.000 2.400 3.600 3.587 3.488 3.665 0.065 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
104 1 12 GLU HA 1 12 GLU HB3 2.800 2.200 3.400 2.535 2.411 2.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
105 1 12 GLU HB2 1 12 GLU HG2 2.900 2.300 3.500 2.621 2.387 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
106 1 12 GLU HG2 1 42 THR MG 3.400 2.600 4.200 2.798 1.761 3.682 0.839 46 11 "[* * . * 1 * . ** . * 3 * *- 4 .+ 5]" 1
107 1 12 GLU HG3 1 42 THR MG 3.500 2.800 4.200 3.135 1.877 3.688 0.923 14 5 "[ . 1 +. 2 *-.* 3 . 4 * . 5]" 1
108 1 13 TYR H 1 13 TYR HA 2.700 2.200 3.200 2.837 2.248 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
109 1 13 TYR H 1 13 TYR HB2 2.800 2.200 3.400 3.303 2.142 3.777 0.377 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
110 1 13 TYR H 1 13 TYR QE 4.700 3.900 5.500 4.384 3.658 5.946 0.446 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
111 1 13 TYR H 1 14 CYS H 4.600 3.900 5.300 4.491 3.841 4.648 0.059 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
112 1 13 TYR HA 1 13 TYR HB2 2.800 2.300 3.300 2.613 2.230 3.020 0.070 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
113 1 13 TYR HA 1 13 TYR HB3 2.300 . 2.800 2.490 2.206 2.986 0.186 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
114 1 13 TYR HA 1 13 TYR QD 2.700 2.200 3.200 3.245 2.103 3.682 0.482 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
115 1 13 TYR HA 1 14 CYS H 2.100 . 2.500 2.412 2.185 2.714 0.214 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
116 1 13 TYR HB2 1 13 TYR QE 3.900 3.200 4.600 4.405 4.303 4.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
117 1 13 TYR HB3 1 13 TYR QD 2.300 . 2.800 2.420 2.211 2.737 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
118 1 14 CYS H 1 14 CYS HA 2.400 . 2.800 2.821 2.694 2.903 0.103 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
119 1 14 CYS H 1 16 PHE QE 4.700 3.900 5.500 5.153 4.527 5.378 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
120 1 14 CYS HA 1 14 CYS HB2 2.700 2.300 3.100 3.014 2.984 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
121 1 14 CYS HA 1 15 LYS H 1.900 . 2.300 2.163 2.114 2.248 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
122 1 14 CYS HA 1 42 THR HA 3.500 2.800 4.200 3.699 3.004 4.200 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
123 1 14 CYS HA 1 42 THR MG 5.600 4.800 6.400 4.576 3.627 5.210 1.173 40 13 "[ -** * . * 2 * . * *3 . * + * . * *]" 1
124 1 15 LYS H 1 15 LYS HA 2.600 2.100 3.100 2.910 2.869 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
125 1 15 LYS H 1 15 LYS QB 2.400 . 2.900 2.301 2.148 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
126 1 15 LYS H 1 15 LYS QG 4.600 4.100 5.100 3.993 3.613 4.177 0.487 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
127 1 15 LYS H 1 16 PHE HZ 5.200 4.500 5.900 5.969 5.858 6.064 0.164 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
128 1 15 LYS H 1 18 PHE HB2 5.000 4.400 5.600 5.391 5.001 5.629 0.029 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
129 1 15 LYS H 1 42 THR H 5.000 4.300 5.700 4.988 4.607 5.450 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
130 1 15 LYS HA 1 15 LYS HB2 2.600 2.100 3.100 2.577 2.418 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
131 1 15 LYS HA 1 15 LYS QG 2.800 2.200 3.400 2.535 2.191 3.090 0.009 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
132 1 15 LYS HA 1 16 PHE H 2.600 2.100 3.100 2.141 2.094 2.207 0.006 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
133 1 15 LYS HA 1 16 PHE QD 4.800 4.100 5.500 4.546 4.264 4.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
134 1 15 LYS HA 1 42 THR HA 5.000 4.200 5.800 4.906 4.291 5.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
135 1 15 LYS QB 1 15 LYS QG 2.300 . 2.800 2.032 1.978 2.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
136 1 15 LYS QB 1 42 THR HA 3.000 2.400 3.600 2.849 1.933 3.307 0.467 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
137 1 16 PHE H 1 16 PHE HB3 3.700 3.200 4.200 3.725 3.649 3.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
138 1 16 PHE H 1 18 PHE H 5.800 5.100 6.500 5.689 5.213 6.130 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
139 1 16 PHE HA 1 16 PHE HB3 2.600 2.100 3.100 2.491 2.441 2.536 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
140 1 16 PHE HA 1 16 PHE QD 2.600 2.200 3.000 2.003 1.786 2.308 0.414 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
141 1 16 PHE HA 1 17 PRO HB2 4.300 3.700 4.900 4.348 4.278 4.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
142 1 16 PHE HB2 1 26 ASN HD21 6.500 6.000 7.000 6.360 5.931 7.075 0.075 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
143 1 16 PHE HB3 1 16 PHE QD 2.600 2.100 3.100 2.724 2.657 2.761 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
144 1 16 PHE HB3 1 17 PRO HA 3.300 2.600 4.000 2.956 2.541 3.469 0.059 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
145 1 16 PHE QD 1 17 PRO HA 4.200 3.600 4.800 2.984 2.728 3.339 0.872 50 38 "[ ***** ***** ** * ****************-***4 **. ** +]" 1
146 1 16 PHE QD 1 26 ASN HA 3.500 3.000 4.000 3.399 2.690 4.058 0.310 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
147 1 16 PHE QE 1 28 CYS H 3.700 3.000 4.400 3.951 3.463 4.230 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
148 1 16 PHE QE 1 40 CYS QB 4.000 3.500 4.500 2.487 2.050 3.051 1.450 1 48 "[+***.********************* **********************-]" 1
149 1 16 PHE HZ 1 28 CYS H 2.800 2.200 3.400 3.413 3.043 3.532 0.132 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
150 1 16 PHE HZ 1 40 CYS QB 4.200 3.600 4.700 3.312 3.131 3.570 0.469 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
151 1 17 PRO HA 1 17 PRO HB2 2.300 . 2.800 2.731 2.653 2.777 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
152 1 17 PRO HA 1 17 PRO HB3 2.300 . 2.800 2.284 2.266 2.328 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
153 1 17 PRO HA 1 17 PRO QG 3.500 2.800 4.200 3.509 3.466 3.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
154 1 17 PRO HA 1 18 PHE H 1.900 . 2.300 2.276 2.187 2.372 0.072 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
155 1 17 PRO HA 1 25 TYR H 3.400 2.700 4.100 4.003 3.770 4.159 0.059 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
156 1 17 PRO HA 1 26 ASN HA 2.300 . 2.800 2.685 2.384 2.884 0.084 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
157 1 17 PRO HB2 1 17 PRO HD2 4.100 3.500 4.700 3.617 3.469 3.940 0.031 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
158 1 17 PRO HD3 1 17 PRO QG 2.400 . 2.900 2.178 2.168 2.192 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
159 1 17 PRO QG 1 24 GLU HA 5.500 4.900 6.100 5.044 4.675 5.431 0.225 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
160 1 18 PHE H 1 18 PHE QD 3.400 2.700 4.100 2.465 2.009 3.011 0.691 27 12 "[* . ** * . 2 * .*+* 3* . * - . * 5]" 1
161 1 18 PHE H 1 26 ASN HD22 5.700 5.000 6.400 6.020 5.441 6.491 0.091 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
162 1 18 PHE HA 1 18 PHE HB2 2.200 . 2.600 2.416 2.372 2.447 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
163 1 18 PHE HA 1 18 PHE HB3 2.200 . 2.600 2.475 2.438 2.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
164 1 18 PHE HA 1 19 LEU H 2.100 . 2.500 2.308 2.166 2.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
165 1 18 PHE HB3 1 41 SER H 3.500 2.900 4.100 3.485 3.192 3.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
166 1 18 PHE QD 1 19 LEU H 4.200 3.600 4.800 3.508 3.054 4.039 0.546 18 3 "[ * . -1 . + 2 . 3 . 4 . 5]" 1
167 1 18 PHE QE 1 20 PHE QB 4.600 4.000 5.000 2.286 1.771 2.745 2.229 45 50 [*********-**********************************+*****] 1
168 1 18 PHE QE 1 29 THR MG 3.400 2.700 4.100 3.164 3.002 3.351 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
169 1 18 PHE QE 1 39 TRP HH2 4.500 3.900 5.100 2.907 2.558 3.469 1.342 27 49 [********-*****************+*****************.*****] 1
170 1 18 PHE QE 1 39 TRP HZ2 5.000 4.200 5.800 3.910 3.595 4.290 0.605 27 3 "[- . 1 . * 2 . + 3 . 4 . 5]" 1
171 1 19 LEU H 1 19 LEU HA 2.500 . 3.000 2.911 2.873 2.942 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
172 1 19 LEU H 1 19 LEU QB 2.400 . 2.900 2.308 2.241 2.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
173 1 19 LEU H 1 45 ASN HA 3.600 3.100 4.100 3.463 3.054 4.019 0.046 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
174 1 19 LEU HA 1 19 LEU HG 2.400 . 2.900 2.930 2.859 2.987 0.087 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
175 1 19 LEU HA 1 20 PHE H 2.000 . 2.400 2.121 2.084 2.154 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
176 1 19 LEU HA 1 23 LYS H 3.800 3.200 4.400 4.117 3.769 4.421 0.021 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
177 1 19 LEU HA 1 24 GLU HA 3.300 2.500 4.100 2.632 2.442 2.878 0.058 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
178 1 19 LEU HA 1 24 GLU QG 3.200 2.600 3.800 2.917 2.400 3.402 0.200 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
179 1 19 LEU HA 1 25 TYR H 3.600 3.000 4.200 4.102 3.780 4.254 0.054 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
180 1 19 LEU QB 1 45 ASN HA 3.400 2.800 4.000 2.223 1.980 2.701 0.820 46 36 "[****. ********** * 2****.* ** **** **** **+ *-*]" 1
181 1 19 LEU QB 1 45 ASN QD 5.600 5.000 6.200 3.530 3.288 4.035 1.712 32 50 [******************************-+******************] 1
182 1 19 LEU QB 1 46 PHE H 4.100 3.400 4.800 3.362 2.960 3.963 0.440 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
183 1 19 LEU QB 1 47 GLU H 6.200 5.300 7.100 4.930 4.265 5.513 1.035 23 17 "[ ***- 1 * . *2* +** * *** .* * 4 . * 5]" 1
184 1 19 LEU MD2 1 20 PHE H 5.600 4.900 6.300 4.646 4.393 4.853 0.507 8 1 "[ . + 1 . 2 . 3 . 4 . 5]" 1
185 1 19 LEU MD2 1 22 GLY H 4.000 3.200 4.800 3.462 3.131 3.670 0.069 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
186 1 19 LEU MD2 1 45 ASN QD 4.000 3.200 4.800 3.184 2.792 3.539 0.408 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
187 1 19 LEU HG 1 24 GLU HA 5.200 4.700 5.700 5.322 5.038 5.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
188 1 19 LEU HG 1 24 GLU QG 5.300 4.800 5.800 4.591 4.250 5.074 0.550 22 2 "[ . 1 . 2 + . 3 -. 4 . 5]" 1
189 1 20 PHE H 1 20 PHE HA 2.600 2.100 3.100 2.951 2.938 2.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
190 1 20 PHE H 1 20 PHE QB 2.800 2.500 3.400 2.534 2.381 2.667 0.119 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
191 1 20 PHE H 1 20 PHE QD 4.300 3.700 4.900 4.322 4.242 4.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
192 1 20 PHE H 1 23 LYS H 2.500 . 3.000 2.729 2.393 3.032 0.032 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
193 1 20 PHE H 1 25 TYR QD 4.900 4.300 5.500 3.697 3.167 4.279 1.133 45 29 "[** .** *1 **** * 2******* ** *- * *** **+ *5]" 1
194 1 20 PHE H 1 25 TYR QE 4.800 4.200 5.400 3.609 3.223 4.157 0.977 35 29 "[** .** *1 **** * 2******* ** ** + -** *** *5]" 1
195 1 20 PHE HA 1 20 PHE QB 3.000 2.600 3.400 2.440 2.379 2.478 0.221 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
196 1 20 PHE HA 1 20 PHE QD 2.400 . 2.900 2.002 1.786 2.256 0.114 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
197 1 20 PHE HA 1 21 ASN H 2.100 . 2.500 2.186 2.145 2.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
198 1 20 PHE HA 1 22 GLY H 3.600 3.000 4.200 3.949 3.773 4.208 0.008 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
199 1 20 PHE QB 1 20 PHE QD 2.300 2.200 2.800 2.182 2.079 2.279 0.121 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
200 1 20 PHE QB 1 29 THR MG 4.300 3.400 5.200 3.779 3.662 3.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
201 1 20 PHE QD 1 21 ASN H 3.400 2.800 4.000 3.078 2.492 3.706 0.308 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
202 1 20 PHE QD 1 22 GLY H 5.500 4.700 6.300 5.247 4.836 5.714 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
203 1 20 PHE QD 1 29 THR MG 5.800 5.000 6.600 3.196 2.480 3.863 2.520 30 50 [*****************************+******-*************] 1
204 1 20 PHE QD 1 31 THR HB 5.400 4.800 6.000 2.954 2.671 3.503 2.129 31 50 [******************************+*****-*************] 1
205 1 20 PHE QD 1 31 THR MG 5.100 4.500 5.700 2.816 2.439 3.225 2.061 5 50 [****+****************-****************************] 1
206 1 20 PHE QD 1 39 TRP HH2 3.100 2.200 4.000 2.894 2.213 3.545 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
207 1 20 PHE QD 1 39 TRP HZ2 3.100 2.200 4.000 3.365 3.083 3.708 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
208 1 20 PHE QE 1 31 THR HB 3.100 2.200 4.000 2.342 2.017 2.944 0.183 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
209 1 20 PHE QE 1 32 GLY HA2 3.600 2.500 4.700 4.005 3.580 4.284 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
210 1 20 PHE QE 1 32 GLY HA3 2.700 . 3.500 3.183 2.816 3.587 0.087 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
211 1 20 PHE QE 1 39 TRP HZ2 2.800 . 3.600 2.673 2.204 3.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
212 1 21 ASN H 1 21 ASN HA 2.100 . 2.500 2.272 2.260 2.289 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
213 1 21 ASN H 1 21 ASN HB2 2.900 2.300 3.500 3.437 3.320 3.565 0.065 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
214 1 21 ASN H 1 21 ASN HB3 3.500 2.800 4.200 4.065 3.978 4.103 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
215 1 21 ASN H 1 22 GLY H 2.600 2.100 3.100 2.807 2.710 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
216 1 21 ASN HA 1 21 ASN HB3 2.500 . 3.000 2.541 2.443 2.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
217 1 21 ASN HA 1 22 GLY H 3.100 2.700 3.500 2.946 2.787 3.115 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
218 1 21 ASN HB2 1 22 GLY H 3.900 3.100 4.700 4.138 3.893 4.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
219 1 21 ASN HB3 1 22 GLY H 3.700 3.000 4.400 4.398 4.323 4.454 0.054 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
220 1 22 GLY H 1 22 GLY HA2 2.100 . 2.500 2.378 2.313 2.518 0.018 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
221 1 22 GLY H 1 22 GLY HA3 2.500 2.100 2.900 2.926 2.881 2.952 0.052 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
222 1 22 GLY H 1 23 LYS H 2.400 . 2.900 2.410 2.010 2.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
223 1 22 GLY HA2 1 23 LYS H 2.700 2.200 3.200 3.281 3.119 3.394 0.194 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
224 1 22 GLY HA3 1 23 LYS H 3.000 2.400 3.600 3.303 3.140 3.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
225 1 23 LYS H 1 23 LYS HA 2.700 2.300 3.100 2.946 2.933 2.957 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
226 1 23 LYS H 1 23 LYS QB 2.400 2.400 2.900 2.486 2.373 2.609 0.027 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
227 1 23 LYS H 1 23 LYS QD 5.300 4.600 6.000 4.712 4.286 5.031 0.314 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
228 1 23 LYS H 1 23 LYS HG3 4.500 3.900 5.100 4.695 4.589 4.831 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
229 1 23 LYS H 1 25 TYR QE 5.000 4.200 5.800 4.363 3.852 5.109 0.348 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
230 1 23 LYS HA 1 23 LYS HG2 3.000 2.400 3.600 2.981 2.310 3.183 0.090 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
231 1 23 LYS HA 1 23 LYS HG3 3.200 2.600 3.800 2.639 2.512 3.607 0.088 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
232 1 23 LYS HA 1 24 GLU H 1.800 . 2.200 2.177 2.137 2.218 0.018 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
233 1 23 LYS QB 1 23 LYS HG2 2.800 2.300 3.300 2.358 2.315 2.461 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
234 1 23 LYS QB 1 23 LYS HG3 . 2.300 2.600 2.328 2.142 2.379 0.158 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
235 1 23 LYS QB 1 24 GLU H 4.200 3.800 4.700 3.703 3.488 3.854 0.312 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
236 1 23 LYS QB 1 25 TYR QD . 5.200 5.500 4.164 3.754 4.571 1.446 30 50 [*****************************+-*******************] 1
237 1 23 LYS QD 1 25 TYR QE 3.000 2.400 3.600 2.801 2.227 3.060 0.173 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
238 1 23 LYS QE 1 23 LYS HG2 3.000 2.400 3.600 2.801 2.325 3.352 0.075 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
239 1 23 LYS HG2 1 24 GLU H 3.500 2.800 4.200 2.966 2.739 3.434 0.061 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
240 1 23 LYS HG3 1 24 GLU H 3.500 2.800 4.200 3.329 2.926 4.340 0.140 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
241 1 24 GLU H 1 24 GLU HB2 2.800 2.200 3.400 2.498 2.395 2.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
242 1 24 GLU H 1 24 GLU HB3 3.600 3.100 4.100 3.655 3.619 3.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
243 1 24 GLU H 1 25 TYR H 4.500 3.900 5.100 4.466 4.299 4.550 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
244 1 24 GLU H 1 25 TYR HA 5.400 4.800 6.000 5.141 4.938 5.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
245 1 24 GLU H 1 25 TYR QD 6.000 5.100 6.900 5.124 4.704 5.590 0.396 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
246 1 24 GLU HA 1 24 GLU HB2 2.800 2.300 3.300 3.020 3.013 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
247 1 24 GLU HA 1 24 GLU HB3 2.400 . 2.900 2.467 2.385 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
248 1 24 GLU HA 1 24 GLU QG 2.900 2.300 3.500 2.446 2.350 2.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
249 1 24 GLU HA 1 25 TYR H 2.000 . 2.400 2.152 2.110 2.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
250 1 24 GLU HB2 1 24 GLU QG 2.100 . 2.500 2.338 2.290 2.474 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
251 1 24 GLU HB2 1 25 TYR H 3.800 3.000 4.600 4.184 3.992 4.343 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
252 1 24 GLU HB3 1 24 GLU QG 2.200 . 2.600 2.328 2.123 2.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
253 1 24 GLU HB3 1 25 TYR H 3.400 2.700 4.100 3.289 3.047 3.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
254 1 25 TYR H 1 25 TYR HA 3.000 2.600 3.400 2.939 2.899 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
255 1 25 TYR H 1 25 TYR HB2 2.600 2.100 3.100 2.515 2.387 2.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
256 1 25 TYR H 1 25 TYR QD 3.000 2.500 3.500 2.699 2.212 3.367 0.288 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
257 1 25 TYR H 1 25 TYR QE 5.200 4.500 5.900 4.721 4.391 5.071 0.109 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
258 1 25 TYR HA 1 25 TYR HB2 2.400 . 2.900 3.005 2.998 3.012 0.112 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
259 1 25 TYR HA 1 25 TYR QD 2.700 2.200 3.200 2.879 2.372 3.198 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
260 1 25 TYR HB2 1 25 TYR QD 2.500 . 3.000 2.386 2.243 2.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
261 1 25 TYR HB2 1 25 TYR QE 4.200 3.500 4.900 4.408 4.356 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
262 1 25 TYR HB2 1 26 ASN H 3.200 2.300 4.100 4.145 4.004 4.221 0.121 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
263 1 25 TYR HB2 1 29 THR MG 4.100 3.300 4.900 3.734 3.415 3.929 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
264 1 25 TYR HB3 1 25 TYR QD 2.400 . 2.900 2.428 2.298 2.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
265 1 25 TYR HB3 1 25 TYR QE 4.500 3.800 5.200 4.432 4.391 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
266 1 25 TYR HB3 1 29 THR HB 3.300 2.600 4.000 3.648 3.256 3.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
267 1 25 TYR HB3 1 40 CYS HA 5.300 4.700 5.900 6.013 5.907 6.090 0.190 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
268 1 25 TYR QD 1 29 THR HB 3.800 3.300 4.300 2.795 2.289 3.706 1.011 2 29 "[*+ .** *1 **** * 2*-***** ** ** * *** *** *5]" 1
269 1 25 TYR QE 1 29 THR HB 4.400 3.800 5.000 3.333 2.911 4.179 0.889 18 29 "[** .** *1 **** + 2******* -* ** * *** *** *5]" 1
270 1 25 TYR QE 1 29 THR MG 3.600 2.900 4.300 2.969 2.656 3.203 0.244 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
271 1 25 TYR QE 1 31 THR MG 4.100 3.300 4.900 3.816 3.623 3.910 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
272 1 26 ASN H 1 26 ASN HB2 2.700 2.200 3.200 2.430 2.267 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
273 1 26 ASN H 1 26 ASN HB3 3.700 3.200 4.200 3.637 3.499 3.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
274 1 26 ASN H 1 26 ASN HD22 3.800 3.000 4.600 4.170 3.801 4.650 0.050 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
275 1 26 ASN HB3 1 26 ASN HD22 3.600 2.900 4.300 3.967 3.449 4.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
276 1 27 SER HA 1 27 SER HB3 2.100 . 2.500 2.399 2.321 2.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
277 1 27 SER HA 1 28 CYS H 2.400 . 2.900 2.580 2.387 2.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
278 1 28 CYS H 1 28 CYS HB2 3.100 2.500 3.700 2.530 2.366 2.691 0.134 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
279 1 28 CYS H 1 28 CYS HB3 3.400 2.800 4.000 3.611 3.568 3.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
280 1 28 CYS HB2 1 29 THR H 3.800 3.300 4.300 4.012 3.701 4.251 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
281 1 28 CYS HB2 1 39 TRP H 3.900 3.300 4.500 4.491 4.232 4.584 0.084 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
282 1 28 CYS HB3 1 29 THR H 2.700 2.200 3.200 3.053 2.688 3.280 0.080 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
283 1 28 CYS HB3 1 39 TRP H 3.300 2.600 4.000 2.972 2.751 3.356 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
284 1 29 THR H 1 29 THR HA 2.300 . 2.800 2.926 2.911 2.937 0.137 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
285 1 29 THR H 1 29 THR HB 2.600 2.100 3.100 3.070 2.925 3.205 0.105 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
286 1 29 THR H 1 29 THR MG 2.600 2.100 3.100 2.188 1.918 2.383 0.182 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
287 1 29 THR H 1 39 TRP H 2.400 . 2.900 2.789 2.347 3.011 0.111 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
288 1 29 THR H 1 39 TRP HD1 4.800 4.100 5.500 4.759 4.416 5.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
289 1 29 THR HA 1 29 THR MG 3.500 2.900 4.100 3.239 3.222 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
290 1 29 THR HA 1 30 ASP H 2.000 . 2.400 2.415 2.343 2.465 0.065 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
291 1 29 THR HA 1 31 THR H 3.100 2.200 4.000 3.825 3.746 3.893 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
292 1 29 THR HB 1 29 THR MG 2.400 . 2.900 2.095 2.075 2.128 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
293 1 29 THR HB 1 30 ASP H 3.900 3.300 4.500 3.859 3.759 3.966 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
294 1 29 THR HB 1 31 THR H 3.700 3.000 4.400 4.034 3.983 4.130 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
295 1 29 THR MG 1 30 ASP H 4.000 3.300 4.700 3.479 3.319 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
296 1 29 THR MG 1 30 ASP HA 4.800 4.100 5.500 4.046 3.887 4.147 0.213 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
297 1 29 THR MG 1 31 THR H 2.900 2.300 3.500 2.428 2.216 2.702 0.084 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
298 1 29 THR MG 1 31 THR HB 2.900 2.300 3.500 2.256 1.936 2.575 0.364 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
299 1 29 THR MG 1 31 THR MG 5.200 4.500 5.900 3.626 3.414 3.853 1.086 24 50 [***********************+***********-**************] 1
300 1 29 THR MG 1 39 TRP H 4.700 4.100 5.300 3.681 3.355 3.916 0.745 40 15 "[* .* - *** * 2* . *3 * . + ** **5]" 1
301 1 29 THR MG 1 39 TRP HD1 4.900 4.200 5.600 4.070 3.884 4.213 0.316 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
302 1 29 THR MG 1 39 TRP HE1 3.400 2.800 4.000 3.148 2.909 3.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
303 1 29 THR MG 1 39 TRP HE3 5.900 5.100 6.700 5.070 4.669 5.370 0.431 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
304 1 29 THR MG 1 39 TRP HZ2 3.800 3.200 4.400 3.524 3.315 3.686 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
305 1 29 THR MG 1 40 CYS HA 5.000 4.300 5.700 4.243 3.905 4.666 0.395 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
306 1 30 ASP H 1 30 ASP HA 2.400 . 2.900 2.922 2.890 2.932 0.032 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
307 1 30 ASP H 1 30 ASP HB2 3.400 2.800 4.000 3.138 2.931 3.343 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
308 1 30 ASP H 1 31 THR H 2.100 . 2.500 2.191 2.024 2.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
309 1 30 ASP H 1 31 THR MG 6.500 5.700 7.300 5.296 5.144 5.413 0.556 34 3 "[ . 1 . 2 . 3 +.- 4* . 5]" 1
310 1 30 ASP H 1 39 TRP H 4.900 4.300 5.500 4.914 4.737 5.153 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
311 1 30 ASP HA 1 30 ASP HB2 2.100 . 2.500 2.870 2.825 2.938 0.438 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
312 1 30 ASP HA 1 30 ASP HB3 2.200 . 2.600 2.234 2.195 2.282 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
313 1 30 ASP HA 1 31 THR H 2.600 2.100 3.100 3.144 3.045 3.209 0.109 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
314 1 30 ASP HA 1 38 LEU HA 2.700 2.200 3.200 2.971 2.443 3.346 0.146 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
315 1 30 ASP HA 1 39 TRP H 3.900 3.400 4.400 3.611 3.239 3.871 0.161 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
316 1 30 ASP HA 1 39 TRP HD1 2.300 . 2.800 2.790 2.638 3.053 0.253 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
317 1 30 ASP HA 1 39 TRP HE1 3.500 3.000 4.000 3.671 3.402 4.007 0.007 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
318 1 30 ASP HB2 1 36 GLY H 3.600 3.000 4.200 4.363 4.233 5.075 0.875 34 1 "[ . 1 . 2 . 3 +. 4 . 5]" 1
319 1 30 ASP HB3 1 31 THR H 4.300 3.700 4.900 4.547 4.478 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
320 1 31 THR H 1 31 THR HA 2.600 2.200 3.000 2.803 2.772 2.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
321 1 31 THR H 1 31 THR HB 2.200 . 2.600 2.584 2.480 2.641 0.041 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
322 1 31 THR H 1 31 THR MG 4.300 3.700 4.900 3.725 3.697 3.745 0.003 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
323 1 31 THR H 1 32 GLY H 4.700 4.100 5.300 4.599 4.552 4.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
324 1 31 THR H 1 39 TRP HD1 5.100 4.400 5.800 4.667 4.477 4.908 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
325 1 31 THR HA 1 39 TRP HE1 5.000 4.300 5.700 4.609 4.468 4.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
326 1 31 THR HB 1 31 THR MG 2.600 2.100 3.100 2.093 2.067 2.119 0.033 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
327 1 31 THR HB 1 32 GLY H 4.100 3.600 4.600 3.975 3.729 4.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
328 1 31 THR HB 1 39 TRP HE1 4.000 3.400 4.600 3.794 3.604 4.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
329 1 31 THR HB 1 39 TRP HZ2 4.400 3.800 5.000 3.855 3.723 4.112 0.077 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
330 1 31 THR MG 1 32 GLY H 3.000 2.400 3.600 2.384 2.020 2.631 0.380 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
331 1 31 THR MG 1 32 GLY HA2 3.800 3.000 4.600 3.608 3.518 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
332 1 31 THR MG 1 39 TRP HE1 5.600 4.900 6.300 4.662 4.497 4.967 0.403 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
333 1 31 THR MG 1 39 TRP HZ2 5.100 4.500 5.700 4.342 4.154 4.638 0.346 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
334 1 32 GLY H 1 32 GLY HA2 2.300 . 2.800 2.336 2.314 2.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
335 1 32 GLY H 1 32 GLY HA3 2.300 . 2.800 2.900 2.882 2.916 0.116 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
336 1 32 GLY H 1 33 ARG H 3.100 2.600 3.600 2.859 2.603 3.684 0.084 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
337 1 32 GLY HA2 1 33 ARG H 3.100 2.500 3.700 3.454 3.358 3.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
338 1 33 ARG H 1 33 ARG HA 2.500 . 3.300 2.914 2.864 2.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
339 1 33 ARG H 1 33 ARG HB2 2.600 2.100 3.100 2.532 2.363 3.587 0.487 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
340 1 33 ARG H 1 33 ARG HB3 3.600 3.100 4.100 3.614 2.860 3.685 0.240 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
341 1 33 ARG H 1 33 ARG HG2 3.000 2.100 3.900 2.479 2.088 3.057 0.012 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
342 1 33 ARG H 1 33 ARG HG3 3.300 2.500 4.100 3.744 2.164 4.011 0.336 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
343 1 33 ARG H 1 39 TRP HE1 3.000 2.400 3.600 3.327 2.860 3.657 0.057 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
344 1 33 ARG HA 1 33 ARG HB2 2.600 . 3.400 3.010 2.442 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
345 1 33 ARG HA 1 33 ARG HB3 2.300 . 3.000 2.458 2.243 2.528 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
346 1 33 ARG HA 1 34 SER H 2.700 . 3.500 2.318 2.145 2.735 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
347 1 33 ARG HB2 1 33 ARG HE 3.200 2.600 3.800 3.485 2.510 3.601 0.090 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
348 1 33 ARG HB2 1 33 ARG HG2 2.700 . 3.500 2.478 2.401 2.997 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
349 1 33 ARG HB2 1 33 ARG HG3 2.500 . 3.300 2.404 2.271 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
350 1 33 ARG HB2 1 35 ASP H 3.700 3.100 4.300 3.819 2.759 4.171 0.341 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
351 1 33 ARG HB3 1 33 ARG HE 2.800 2.100 3.500 2.078 1.919 3.717 0.217 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
352 1 33 ARG HB3 1 33 ARG HG2 2.500 . 3.300 2.985 2.223 3.014 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
353 1 33 ARG HB3 1 33 ARG HG3 2.600 . 3.400 2.479 2.407 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
354 1 33 ARG HB3 1 35 ASP H 3.400 2.800 4.000 2.851 2.639 4.388 0.388 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
355 1 33 ARG QD 1 33 ARG HG3 2.700 2.200 3.200 2.340 2.154 2.380 0.046 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
356 1 33 ARG QD 1 37 PHE QB 5.200 4.900 5.700 4.117 3.536 4.378 1.364 47 50 [**********************************************+**-] 1
357 1 33 ARG QD 1 39 TRP HD1 4.000 3.300 4.700 3.419 2.727 3.789 0.573 11 1 "[ . 1+ . 2 . 3 . 4 . 5]" 1
358 1 33 ARG HE 1 37 PHE H 3.300 2.800 3.800 3.800 3.236 4.234 0.434 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
359 1 33 ARG HE 1 37 PHE QB 3.800 3.100 4.500 2.819 2.397 3.360 0.703 8 9 "[ * .* +-1 * . 2 . ** 3 .* 4 . *5]" 1
360 1 33 ARG HE 1 54 PHE QE 4.800 3.900 5.700 3.530 2.675 5.198 1.225 37 26 "[* -** * ****** * 2 . ****** **+* * .* **]" 1
361 1 33 ARG HG2 1 39 TRP HD1 2.300 . 2.800 2.635 2.206 3.313 0.513 7 1 "[ . + 1 . 2 . 3 . 4 . 5]" 1
362 1 33 ARG HG2 1 39 TRP HE1 2.700 . 3.500 2.476 2.218 3.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
363 1 33 ARG HG3 1 39 TRP HD1 2.300 . 2.800 2.225 2.053 2.936 0.136 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
364 1 33 ARG HG3 1 39 TRP HE1 3.100 2.600 3.600 3.576 3.286 3.674 0.074 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
365 1 33 ARG QH 1 54 PHE QE 3.100 2.600 3.600 2.914 2.254 3.165 0.346 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
366 1 33 ARG QH 1 54 PHE HZ 2.900 2.400 3.400 2.251 1.990 2.411 0.410 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
367 1 34 SER H 1 34 SER HA 2.700 2.300 3.100 2.912 2.874 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
368 1 34 SER H 1 34 SER QB 2.900 2.300 3.500 2.579 2.406 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
369 1 34 SER HA 1 34 SER QB 2.200 . 2.600 2.331 2.279 2.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
370 1 34 SER HA 1 35 ASP H 3.800 3.000 4.600 3.370 2.948 3.526 0.052 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
371 1 34 SER HA 1 36 GLY H 3.800 3.000 4.600 3.638 3.277 4.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
372 1 35 ASP H 1 35 ASP HA 2.500 . 3.000 2.877 2.825 2.919 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
373 1 35 ASP H 1 35 ASP HB2 2.900 2.300 3.500 2.735 2.248 3.133 0.052 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
374 1 35 ASP H 1 35 ASP HB3 2.800 2.200 3.400 3.548 3.470 3.642 0.242 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
375 1 35 ASP H 1 36 GLY H 2.300 . 2.800 2.495 2.227 2.831 0.031 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
376 1 35 ASP H 1 36 GLY HA2 5.000 4.300 5.700 4.697 4.509 5.016 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
377 1 35 ASP H 1 36 GLY HA3 5.000 4.200 5.800 5.078 4.856 5.223 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
378 1 35 ASP HA 1 35 ASP HB2 2.200 . 2.600 2.907 2.852 2.966 0.366 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
379 1 35 ASP HA 1 36 GLY H 2.400 . 2.900 3.162 2.864 3.283 0.383 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
380 1 35 ASP HB2 1 36 GLY H 3.500 2.800 4.200 3.724 3.436 4.470 0.270 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
381 1 35 ASP HB3 1 36 GLY H 4.100 3.400 4.800 4.391 4.166 4.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
382 1 36 GLY H 1 36 GLY HA2 2.100 . 2.500 2.302 2.286 2.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
383 1 36 GLY H 1 36 GLY HA3 2.300 . 2.800 2.819 2.774 2.957 0.157 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
384 1 37 PHE H 1 37 PHE HA 2.700 2.200 3.200 2.911 2.557 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
385 1 37 PHE H 1 37 PHE QB 2.700 2.200 3.200 2.319 2.164 2.534 0.036 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
386 1 37 PHE HA 1 37 PHE QB 2.600 2.300 3.100 2.455 2.123 2.529 0.177 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
387 1 37 PHE QB 1 54 PHE QD 5.100 4.000 6.200 3.125 1.890 5.474 2.110 4 35 "[***+* * ******* **2 *-. ****** ****** * ** ***]" 1
388 1 37 PHE QB 1 54 PHE QE 4.500 3.900 5.400 3.087 1.925 4.551 1.975 29 34 "[* ** ******* **2 **.***+*** ******* * ** -**]" 1
389 1 38 LEU H 1 38 LEU HA 3.700 2.900 4.500 2.870 2.850 2.888 0.050 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
390 1 38 LEU H 1 38 LEU HB2 2.700 2.100 3.300 2.626 2.086 3.568 0.268 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
391 1 38 LEU HA 1 38 LEU HB2 2.300 . 2.800 2.881 2.398 3.002 0.202 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
392 1 39 TRP H 1 39 TRP HA 2.800 2.200 3.400 2.934 2.920 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
393 1 39 TRP H 1 39 TRP QB 4.000 3.400 4.600 3.058 2.948 3.111 0.452 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
394 1 39 TRP H 1 39 TRP HD1 3.200 2.800 3.600 2.751 2.683 3.037 0.117 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
395 1 39 TRP HA 1 39 TRP QB 2.300 . 2.800 2.186 2.168 2.198 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
396 1 39 TRP HA 1 39 TRP HD1 4.100 3.400 4.800 4.392 4.342 4.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
397 1 39 TRP HA 1 39 TRP HE3 4.100 3.500 4.700 4.371 4.193 4.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
398 1 39 TRP HA 1 54 PHE HA 2.000 . 2.400 2.194 1.941 2.449 0.049 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
399 1 39 TRP HA 1 54 PHE QD 4.900 4.300 5.500 3.288 2.522 4.762 1.778 26 39 "[*** ********* ******** **+* 3**-*.* *4** *******]" 1
400 1 39 TRP HA 1 55 CYS H 2.400 . 2.900 2.688 2.341 2.981 0.081 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
401 1 39 TRP QB 1 39 TRP HD1 3.600 3.000 4.200 2.681 2.645 2.704 0.355 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
402 1 39 TRP QB 1 40 CYS H 2.900 2.300 3.500 2.227 2.143 2.366 0.157 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
403 1 39 TRP QB 1 54 PHE HA . 3.100 3.400 2.922 2.753 3.209 0.347 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
404 1 39 TRP QB 1 54 PHE QD 4.900 4.300 5.500 2.432 1.771 4.042 2.529 26 48 "[********************** **+*-************** *******]" 1
405 1 39 TRP QB 1 54 PHE QE . 4.600 5.000 2.949 2.280 4.477 2.320 26 48 "[********************** **+***-************ *******]" 1
406 1 39 TRP HE3 1 40 CYS H 2.300 . 2.800 2.645 2.502 2.781 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
407 1 39 TRP HE3 1 40 CYS HA 2.700 2.200 3.200 3.206 2.895 3.300 0.100 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
408 1 39 TRP HE3 1 52 TYR HA 4.100 3.600 4.600 3.815 3.553 4.167 0.047 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
409 1 39 TRP HE3 1 52 TYR HB2 2.400 . 2.900 2.387 2.073 2.955 0.055 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
410 1 39 TRP HE3 1 53 GLY H 3.800 3.400 4.200 3.286 3.238 3.354 0.162 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
411 1 39 TRP HH2 1 46 PHE QD 2.800 2.200 3.400 2.933 2.262 3.525 0.125 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
412 1 39 TRP HZ3 1 41 SER QB 3.000 2.400 3.600 2.508 2.102 3.427 0.298 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
413 1 39 TRP HZ3 1 46 PHE QD 2.700 2.200 3.200 3.191 2.573 3.520 0.320 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
414 1 39 TRP HZ3 1 52 TYR HA 4.700 4.200 5.200 4.391 4.171 4.649 0.029 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
415 1 39 TRP HZ3 1 52 TYR HB2 3.800 3.400 4.200 3.546 3.315 4.035 0.085 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
416 1 39 TRP HZ3 1 52 TYR HB3 3.600 3.100 4.100 3.489 3.138 4.072 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
417 1 40 CYS H 1 40 CYS HA 2.700 2.200 3.200 2.906 2.866 2.926 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
418 1 40 CYS H 1 40 CYS QB 3.200 2.600 3.800 3.131 3.008 3.365 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
419 1 40 CYS H 1 53 GLY QA 4.900 4.200 5.600 4.212 4.028 4.488 0.172 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
420 1 40 CYS HA 1 40 CYS QB 2.200 . 2.600 2.194 2.160 2.209 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
421 1 40 CYS HA 1 41 SER H 2.100 . 2.500 2.423 2.259 2.528 0.028 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
422 1 40 CYS QB 1 41 SER H 3.900 3.300 4.500 2.600 2.346 3.075 0.954 35 43 "[* **. *************************** +* *-***** ****]" 1
423 1 41 SER HA 1 42 THR H 3.100 2.400 3.800 2.369 2.294 2.574 0.106 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
424 1 41 SER HA 1 52 TYR HA 2.400 . 2.900 2.205 1.834 2.705 0.066 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
425 1 41 SER QB 1 42 THR H 2.900 2.300 3.500 2.936 2.068 3.319 0.232 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
426 1 42 THR H 1 42 THR HA 2.600 2.200 3.000 2.923 2.877 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
427 1 42 THR H 1 42 THR HB 2.500 . 3.000 2.692 2.371 3.382 0.382 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
428 1 42 THR H 1 42 THR MG 4.300 3.700 4.900 3.756 2.994 3.883 0.706 10 3 "[ . + . 2 . - 3 . * 4 . 5]" 1
429 1 42 THR HA 1 42 THR HB 2.600 2.100 3.100 2.995 2.646 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
430 1 42 THR HA 1 42 THR MG 2.700 2.200 3.200 2.321 2.013 2.524 0.187 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
431 1 42 THR HB 1 42 THR MG 2.300 . 2.800 2.099 2.068 2.121 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
432 1 42 THR MG 1 52 TYR H 7.400 6.600 8.200 5.982 5.389 6.866 1.211 37 32 "[ * *-*** *** *.*** 2 * *.** 3 *.*+************5]" 1
433 1 42 THR MG 1 52 TYR HA 6.600 5.900 7.300 5.451 4.666 6.133 1.234 37 22 "[ * *-* * * .* * 2 * *.** 3 *. +**** * * * *5]" 1
434 1 43 THR H 1 43 THR HA 2.600 2.200 3.000 2.928 2.903 2.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
435 1 43 THR H 1 43 THR MG 3.300 2.600 4.000 2.721 2.023 3.311 0.577 31 1 "[ . 1 . 2 . 3+ . 4 . 5]" 1
436 1 43 THR HA 1 43 THR MG 2.900 2.300 3.500 2.401 2.147 3.193 0.153 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
437 1 43 THR HB 1 43 THR MG 2.600 2.100 3.100 2.100 2.073 2.125 0.027 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
438 1 43 THR MG 1 45 ASN H 5.400 4.600 6.200 4.701 3.520 5.302 1.080 28 4 "[ . - . 2 * . + 3* . 4 . 5]" 1
439 1 43 THR MG 1 49 ASP HB2 3.200 2.200 4.200 2.777 1.564 3.426 0.636 28 2 "[ . - . 2 . + 3 . 4 . 5]" 1
440 1 43 THR MG 1 49 ASP HB3 2.500 . 3.300 2.479 2.279 2.671 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
441 1 43 THR MG 1 51 LYS QB 4.000 3.200 4.800 2.423 2.113 3.098 1.087 33 43 "[******* ***** *** *************+*.***** **** ***-]" 1
442 1 44 TYR H 1 44 TYR HA 2.400 . 2.900 2.767 2.259 2.919 0.019 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
443 1 44 TYR H 1 44 TYR HB2 2.700 2.200 3.200 2.699 2.186 3.508 0.308 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
444 1 44 TYR HA 1 44 TYR HB2 2.300 . 2.800 2.592 2.401 3.007 0.207 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
445 1 44 TYR HA 1 45 ASN H 3.200 2.500 3.900 3.559 3.479 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
446 1 44 TYR HB3 1 44 TYR QD 3.100 2.400 3.800 2.451 2.282 2.753 0.118 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
447 1 45 ASN H 1 45 ASN HB2 2.600 2.100 3.100 2.662 2.472 3.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
448 1 45 ASN H 1 45 ASN HB3 2.400 . 2.900 2.645 2.561 2.792 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
449 1 45 ASN HA 1 45 ASN HB2 2.200 . 2.600 2.547 2.521 2.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
450 1 45 ASN HA 1 45 ASN HB3 2.800 2.300 3.300 3.025 3.010 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
451 1 45 ASN HA 1 45 ASN QD 3.100 2.600 3.700 2.276 2.206 2.375 0.394 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
452 1 45 ASN HB2 1 48 LYS H 4.800 4.200 5.400 4.653 4.171 5.092 0.029 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
453 1 45 ASN HB3 1 45 ASN QD . 3.200 3.400 2.971 2.939 3.004 0.261 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
454 1 45 ASN HB3 1 48 LYS H 3.300 2.600 4.000 3.372 2.735 3.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
455 1 45 ASN QD 1 46 PHE H 3.300 2.600 4.000 2.326 1.753 2.496 0.847 17 4 "[ . 1 . + 2 . 3 . - * . * 5]" 1
456 1 45 ASN QD 1 48 LYS QD 6.200 5.700 6.700 4.801 4.343 5.484 1.357 50 44 "[****************** **** ****** ***** *********- +]" 1
457 1 46 PHE HA 1 46 PHE HB2 3.000 2.400 3.600 2.419 2.356 2.500 0.044 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
458 1 46 PHE HA 1 46 PHE HB3 3.300 2.600 4.000 3.030 3.013 3.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
459 1 46 PHE HA 1 46 PHE QD 2.400 . 2.900 2.483 1.950 3.047 0.147 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
460 1 46 PHE HA 1 47 GLU H 3.100 2.600 3.600 3.510 3.423 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
461 1 46 PHE HA 1 49 ASP H 3.900 3.400 4.400 3.806 3.395 4.151 0.005 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
462 1 46 PHE HB3 1 46 PHE QD 3.200 2.500 3.900 2.317 2.269 2.430 0.231 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
463 1 46 PHE QD 1 47 GLU H 4.300 3.700 4.900 3.798 3.218 4.294 0.482 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
464 1 46 PHE QD 1 47 GLU HA 4.700 4.100 5.300 3.851 3.066 4.577 1.034 44 13 "[ . 1* * * *2 ** . *3 * .** 4 *+. - 5]" 1
465 1 46 PHE QD 1 50 GLY H 4.300 3.700 4.900 3.669 2.985 4.501 0.715 2 5 "[ + . *1 . 2 . 3 - * 4 . *]" 1
466 1 46 PHE QD 1 51 LYS H 4.900 4.300 5.500 3.650 3.260 4.461 1.040 18 39 "[*** **********.* + ** *********** ** -** * .*****]" 1
467 1 46 PHE QD 1 52 TYR HA 6.200 5.500 6.900 4.195 3.447 4.910 2.053 37 50 [**********************************-*+*************] 1
468 1 47 GLU H 1 47 GLU HA 2.600 2.200 3.000 2.779 2.742 2.819 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
469 1 47 GLU H 1 47 GLU HB2 2.800 2.200 3.400 2.290 2.081 2.508 0.119 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
470 1 47 GLU H 1 47 GLU HB3 2.400 . 2.900 2.738 2.499 3.419 0.519 49 1 "[ . 1 . 2 . 3 . 4 . +5]" 1
471 1 47 GLU H 1 47 GLU HG2 4.400 3.800 5.000 4.482 3.802 4.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
472 1 47 GLU H 1 47 GLU HG3 4.000 3.400 4.600 4.249 3.474 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
473 1 47 GLU H 1 48 LYS H 2.400 . 2.900 2.845 2.603 2.976 0.076 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
474 1 47 GLU HA 1 47 GLU HB2 2.100 . 3.000 2.562 2.448 2.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
475 1 47 GLU HA 1 47 GLU HB3 2.800 2.400 3.200 2.992 2.545 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
476 1 47 GLU HA 1 47 GLU HG2 2.500 . 3.400 2.974 2.607 3.554 0.154 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
477 1 47 GLU HA 1 47 GLU HG3 2.500 . 3.000 2.502 2.248 2.798 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
478 1 47 GLU HA 1 48 LYS H 3.500 3.000 4.000 3.552 3.498 3.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
479 1 47 GLU HA 1 49 ASP H 5.300 4.600 6.000 4.928 4.568 5.477 0.032 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
480 1 47 GLU HB2 1 48 LYS H 3.100 2.600 3.600 3.626 2.595 3.727 0.127 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
481 1 47 GLU HB3 1 48 LYS H 2.900 2.300 3.500 2.476 2.234 3.277 0.066 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
482 1 48 LYS H 1 48 LYS HA 2.300 . 2.800 2.838 2.724 2.915 0.115 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
483 1 48 LYS HA 1 48 LYS HB2 2.100 . 2.500 2.397 2.225 2.534 0.034 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
484 1 48 LYS HA 1 48 LYS QD 4.200 3.300 5.100 4.100 2.381 4.525 0.919 24 4 "[ . 1 - . *2 +. 3 . * 4 . 5]" 1
485 1 48 LYS HA 1 48 LYS HG2 4.000 3.500 4.500 3.640 3.351 4.211 0.149 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
486 1 48 LYS HA 1 48 LYS HG3 3.500 3.100 3.900 3.278 2.821 3.840 0.279 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
487 1 48 LYS HB2 1 48 LYS QD 2.900 2.300 3.500 2.519 2.171 3.006 0.129 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
488 1 48 LYS HB3 1 48 LYS HG2 2.100 . 2.500 2.420 2.266 2.517 0.017 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
489 1 48 LYS QD 1 48 LYS HG2 2.600 2.100 3.100 2.287 2.151 2.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
490 1 48 LYS QD 1 48 LYS HG3 2.700 2.200 3.200 2.318 2.163 2.516 0.037 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
491 1 49 ASP H 1 49 ASP HA 2.400 . 2.900 2.887 2.830 2.935 0.035 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
492 1 49 ASP H 1 49 ASP HB2 2.800 2.200 3.400 2.375 2.206 2.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
493 1 49 ASP H 1 49 ASP HB3 3.600 3.100 4.100 3.601 3.508 3.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
494 1 49 ASP H 1 50 GLY H 2.200 . 2.600 2.621 2.399 2.731 0.131 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
495 1 49 ASP HA 1 49 ASP HB2 2.800 2.200 3.400 3.008 2.972 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
496 1 49 ASP HA 1 49 ASP HB3 2.500 . 3.000 2.550 2.458 2.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
497 1 49 ASP HB2 1 50 GLY H 3.000 2.400 3.600 2.447 2.320 2.713 0.080 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
498 1 49 ASP HB2 1 51 LYS H 3.000 2.400 3.600 3.015 2.737 3.341 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
499 1 49 ASP HB3 1 50 GLY H 3.000 2.400 3.600 3.232 2.807 3.528 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
500 1 50 GLY H 1 50 GLY HA2 2.200 . 2.600 2.350 2.305 2.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
501 1 50 GLY H 1 50 GLY HA3 2.300 . 2.800 2.901 2.856 2.932 0.132 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
502 1 50 GLY H 1 51 LYS H 2.700 2.200 3.200 2.433 2.139 2.778 0.061 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
503 1 50 GLY HA2 1 51 LYS H 3.100 2.500 3.700 3.213 3.057 3.388 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
504 1 50 GLY HA3 1 51 LYS H 3.000 2.500 3.500 3.378 3.242 3.480 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
505 1 51 LYS H 1 51 LYS HA 2.700 2.200 3.200 2.892 2.869 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
506 1 51 LYS H 1 51 LYS QB 3.700 3.200 4.200 2.325 2.193 2.532 1.007 36 50 [***********************************+*-************] 1
507 1 51 LYS H 1 51 LYS QD 3.300 2.600 4.000 2.622 2.052 3.752 0.548 5 1 "[ + 1 . 2 . 3 . 4 . 5]" 1
508 1 51 LYS H 1 51 LYS QG 3.200 2.600 3.800 3.203 2.160 3.618 0.440 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
509 1 51 LYS HA 1 51 LYS QB 2.500 . 3.000 2.421 2.319 2.478 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
510 1 51 LYS HA 1 51 LYS QD 3.500 2.900 4.100 3.182 2.125 4.081 0.775 38 5 "[ *. 1 . 2 . ** .- + 4 . 5]" 1
511 1 51 LYS HA 1 51 LYS QG 2.700 2.200 3.200 2.366 2.211 2.987 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
512 1 51 LYS HA 1 52 TYR H 2.000 . 2.400 2.155 2.106 2.220 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
513 1 51 LYS QB 1 51 LYS QG 2.200 . 2.500 2.015 1.975 2.080 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
514 1 51 LYS QD 1 52 TYR H 5.700 5.000 6.400 5.007 4.027 5.743 0.973 38 6 "[ *. 1 . 2* . ** .- + 4 . 5]" 1
515 1 51 LYS QG 1 52 TYR H 4.200 3.500 4.900 4.066 3.831 4.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
516 1 52 TYR H 1 52 TYR HA 2.800 2.200 3.400 2.916 2.882 2.943 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
517 1 52 TYR H 1 52 TYR QD 2.600 2.100 3.100 2.572 1.864 3.068 0.236 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
518 1 52 TYR H 1 52 TYR QE 4.600 3.900 5.300 4.224 3.874 4.500 0.026 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
519 1 52 TYR H 1 53 GLY H 4.300 3.700 4.900 4.369 4.320 4.422 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
520 1 52 TYR HA 1 52 TYR HB2 2.400 . 2.900 2.397 2.366 2.450 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
521 1 52 TYR HA 1 52 TYR HB3 2.400 . 2.900 2.531 2.469 2.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
522 1 52 TYR HA 1 52 TYR QE 5.900 5.000 6.800 5.631 5.605 5.661 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
523 1 52 TYR HA 1 53 GLY H 2.200 . 2.600 2.429 2.323 2.552 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
524 1 52 TYR HB2 1 52 TYR QE 4.600 3.900 5.300 4.407 4.367 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
525 1 52 TYR HB2 1 53 GLY H 2.700 2.200 3.200 2.312 2.135 2.591 0.065 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
526 1 52 TYR HB3 1 52 TYR QD 2.200 . 2.600 2.478 2.361 2.636 0.036 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
527 1 52 TYR HB3 1 53 GLY H 3.700 3.200 4.200 3.738 3.626 3.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
528 1 52 TYR QD 1 54 PHE QE 5.900 5.200 6.600 3.736 2.555 4.492 2.645 22 50 [**********-**********+****************************] 1
529 1 52 TYR QE 1 54 PHE QD 6.400 5.500 7.300 4.268 3.518 4.888 1.982 34 50 [*********************************+**********-*****] 1
530 1 52 TYR QE 1 54 PHE QE 5.000 4.500 5.500 2.906 1.858 3.656 2.642 38 50 [*************************************+******-*****] 1
531 1 52 TYR QE 1 54 PHE HZ 4.700 4.200 5.200 3.211 2.558 3.701 1.642 3 49 "[**+************************************** ***-****]" 1
532 1 53 GLY H 1 53 GLY QA 2.700 2.200 3.200 2.477 2.457 2.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
533 1 53 GLY QA 1 54 PHE H 2.400 . 2.900 2.249 2.162 2.321 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
534 1 54 PHE H 1 54 PHE HA 2.700 2.200 3.200 2.900 2.839 2.928 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
535 1 54 PHE H 1 54 PHE HB2 2.600 2.100 3.100 2.482 2.396 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
536 1 54 PHE H 1 54 PHE HB3 3.200 2.700 3.700 3.652 3.611 3.689 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
537 1 54 PHE H 1 54 PHE QD 2.700 2.200 3.200 2.865 1.915 3.281 0.285 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
538 1 54 PHE H 1 54 PHE QE 4.100 3.300 4.900 4.583 4.126 4.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
539 1 54 PHE HA 1 54 PHE HB2 2.400 . 2.900 3.009 2.998 3.019 0.119 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
540 1 54 PHE HA 1 54 PHE QD 2.700 2.200 3.200 2.377 1.842 3.176 0.358 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
541 1 54 PHE HA 1 54 PHE QE 4.000 3.200 4.800 4.420 4.185 4.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
542 1 54 PHE HA 1 55 CYS H 2.200 . 2.600 2.212 2.106 2.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
543 1 54 PHE HB2 1 54 PHE QD 2.200 . 2.600 2.392 2.260 2.659 0.059 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
544 1 54 PHE HB2 1 55 CYS H 4.200 3.700 4.700 3.967 3.653 4.290 0.047 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
545 1 54 PHE HB3 1 54 PHE QD 2.400 . 2.900 2.570 2.268 2.752 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
546 1 54 PHE HB3 1 55 CYS H 2.900 2.300 3.500 2.915 2.530 3.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
547 1 54 PHE QD 1 55 CYS H 4.200 3.500 4.900 3.855 3.360 4.259 0.140 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
548 1 55 CYS H 1 55 CYS HB3 3.200 2.700 3.700 3.471 2.663 3.752 0.052 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
549 1 55 CYS HA 1 55 CYS HB2 3.000 2.600 3.400 2.874 2.332 3.031 0.268 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
550 1 55 CYS HA 1 55 CYS HB3 2.600 2.100 3.100 2.432 2.220 3.013 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
551 1 56 PRO HA 1 56 PRO HB2 2.200 . 2.600 2.714 2.649 2.898 0.298 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
552 1 56 PRO HD2 1 56 PRO QG 2.300 . 2.800 2.190 2.173 2.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
553 1 57 HIS HA 1 57 HIS HB2 2.200 . 2.600 2.552 2.410 2.985 0.385 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
554 1 57 HIS HA 1 57 HIS HB3 2.600 2.100 3.100 2.703 2.302 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
555 1 58 GLU H 1 58 GLU HB2 3.000 2.400 3.600 3.566 2.371 3.848 0.248 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
556 1 58 GLU H 1 58 GLU HB3 2.800 2.200 3.400 3.024 2.118 3.562 0.162 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
557 1 58 GLU H 1 58 GLU QG 3.300 2.600 4.000 2.275 1.771 3.675 0.829 31 25 "[ * * ** ** **.* *** * * * *+ **. **-** . *]" 1
558 1 58 GLU HA 1 58 GLU HB2 2.300 . 2.800 2.538 2.271 3.006 0.206 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
559 1 58 GLU HA 1 58 GLU HB3 2.300 . 2.800 2.407 2.240 2.941 0.141 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
560 1 58 GLU HA 1 58 GLU QG 3.800 3.300 4.300 3.314 2.545 3.517 0.755 38 3 "[ .* 1 . 2 . 3 - + 4 . 5]" 1
561 1 59 ALA H 1 59 ALA HA 2.500 2.100 2.900 2.886 2.251 2.944 0.044 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
562 1 59 ALA HA 1 59 ALA MB 2.200 . 2.600 2.103 2.082 2.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
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