NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
612657 |
2nbf   |
25974 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nbf
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 699
_Distance_constraint_stats_list.Viol_count 1529
_Distance_constraint_stats_list.Viol_total 19482.156
_Distance_constraint_stats_list.Viol_max 4.580
_Distance_constraint_stats_list.Viol_rms 0.3507
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0697
_Distance_constraint_stats_list.Viol_average_violations_only 0.6371
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 190.100 4.580 10 20 [*********+***-******]
1 3 TYR 43.620 1.646 8 20 [*-*****+************]
1 4 THR 8.629 0.509 10 1 "[ . + . 2]"
1 5 GLY 39.622 1.408 11 20 [*********-+*********]
1 6 LYS 4.844 0.519 8 1 "[ . + 1 . 2]"
1 7 CYS 32.820 1.169 5 16 "[** *+****** **.***-2]"
1 8 THR 11.167 0.465 20 0 "[ . 1 . 2]"
1 9 LYS 12.313 0.520 12 1 "[ . 1 + . 2]"
1 10 SER 2.108 0.225 8 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASN 22.085 1.810 19 16 "[****-* 1********+*]"
1 13 GLU 23.445 1.386 8 17 "[** *-* + ***********]"
1 14 CYS 24.938 0.875 18 16 "[ -**.*** ********+ *]"
1 15 LYS 15.472 0.970 16 4 "[ *. 1- *.+ 2]"
1 16 TYR 36.461 1.408 11 20 [*******-**+*********]
1 17 LYS 110.690 4.580 10 20 [*********+*******-**]
1 18 ASN 50.720 2.458 18 20 [*****************+-*]
1 19 ASP 0.418 0.351 4 0 "[ . 1 . 2]"
1 20 ALA 48.871 2.458 18 20 [*****************+-*]
1 21 GLY 5.812 0.707 13 3 "[ . 1 + . *-2]"
1 22 LYS 4.976 0.707 13 3 "[ . 1 + . *-2]"
1 23 ASP 28.287 0.754 14 12 "[ * ******1 *+. *-*2]"
1 24 THR 11.966 0.564 8 9 "[ - ** *+*1 . ***2]"
1 25 PHE 18.601 0.754 14 9 "[ * *** *1 *+.* - 2]"
1 26 ILE 4.798 0.875 18 2 "[ . 1 - . + 2]"
1 27 LYS 2.907 0.350 10 0 "[ . 1 . 2]"
1 28 CYS 34.536 1.386 8 19 "[*-*****+ ***********]"
1 29 PRO 311.958 4.303 13 20 [************+*******]
1 30 LYS 48.211 1.810 19 20 [*****-************+*]
1 31 PHE 302.924 4.303 13 20 [************+*******]
1 32 ASP 0.849 0.607 18 1 "[ . 1 . + 2]"
1 33 ASN 8.512 0.964 14 5 "[ * . 1 +.**- 2]"
1 34 LYS 58.257 4.029 5 20 [****+**-************]
1 35 LYS 10.964 0.964 14 5 "[ * . 1 +.**- 2]"
1 36 CYS 5.917 0.520 12 1 "[ . 1 + . 2]"
1 37 THR 2.158 0.204 9 0 "[ . 1 . 2]"
1 38 LYS 21.303 0.988 2 9 "[ + **- 1 *** **]"
1 39 ASP 6.980 0.736 15 1 "[ . 1 + 2]"
1 40 ASN 4.960 0.519 8 1 "[ . + 1 . 2]"
1 41 ASN 9.781 0.734 2 8 "[ + **- 1 **. **]"
1 42 LYS 19.267 0.781 1 9 "[+* . * * ** * -*]"
1 43 CYS 42.983 1.169 5 19 "[** *+*******-*******]"
1 44 THR 10.650 0.628 16 10 "[ * ** * 1- **+* *2]"
1 45 VAL 34.224 1.199 12 19 "[*-*********+***** **]"
1 46 ASP 0.597 0.210 15 0 "[ . 1 . 2]"
1 47 THR 76.791 4.174 18 20 [*-***************+**]
1 48 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASN 0.227 0.046 16 0 "[ . 1 . 2]"
1 50 ASN 14.514 1.104 9 12 "[** *. **+1* **.* -*]"
1 51 ALA 17.897 1.199 12 19 "[*******-***+***** **]"
1 52 VAL 22.338 1.104 9 14 "[** *. **+** **.** -*]"
1 53 ASP 3.250 0.234 13 0 "[ . 1 . 2]"
1 54 CYS 59.809 4.029 5 20 [****+***-***********]
1 55 ASP 16.583 0.628 16 10 "[ * ** * 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 2 LYS H 1 17 LYS QG . . 5.010 7.680 6.709 9.590 4.580 10 20 [******-**+**********] 1
2 1 2 LYS H 1 47 THR HB . . 5.230 7.943 5.961 9.404 4.174 18 20 [**-**************+**] 1
3 1 2 LYS HA 1 2 LYS QD . . 4.430 3.510 2.126 4.240 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS HA 1 3 TYR H . . 2.760 2.270 2.142 2.640 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS HA 1 3 TYR QD . . 4.290 4.166 3.764 4.281 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS HA 1 17 LYS QG . . 5.500 7.155 6.579 8.557 3.057 10 20 [*********+*******-**] 1
7 1 2 LYS HA 1 47 THR H . . 4.080 3.960 3.038 4.558 0.478 18 0 "[ . 1 . 2]" 1
8 1 2 LYS HA 1 47 THR MG . . 5.500 4.375 3.275 5.369 . 0 0 "[ . 1 . 2]" 1
9 1 2 LYS HB2 1 3 TYR H . . 4.890 3.719 1.996 4.625 . 0 0 "[ . 1 . 2]" 1
10 1 2 LYS HB3 1 2 LYS HE3 . . 3.590 3.289 2.676 4.212 0.622 11 3 "[ . 1+ -. *]" 1
11 1 2 LYS HB3 1 3 TYR H . . 4.330 3.728 3.010 4.253 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS QD 1 3 TYR H . . 4.730 3.508 2.502 4.495 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS QD 1 3 TYR QB . . 4.200 4.999 4.238 5.503 1.303 16 16 "[*-**** ***** *+***2]" 1
14 1 2 LYS QD 1 4 THR HA . . 5.500 4.652 4.109 5.292 . 0 0 "[ . 1 . 2]" 1
15 1 2 LYS QD 1 45 VAL H . . 3.670 4.108 3.461 4.577 0.907 11 10 "[*- ** **1+* .* *2]" 1
16 1 2 LYS QD 1 47 THR H . . 5.160 6.102 4.592 7.613 2.453 18 15 "[*- *** ****** * *+*2]" 1
17 1 3 TYR H 1 3 TYR QB . . 3.720 2.521 2.358 2.713 . 0 0 "[ . 1 . 2]" 1
18 1 3 TYR H 1 3 TYR QD . . 3.640 3.027 2.698 3.421 . 0 0 "[ . 1 . 2]" 1
19 1 3 TYR H 1 3 TYR QE . . 5.180 4.711 4.092 5.120 . 0 0 "[ . 1 . 2]" 1
20 1 3 TYR H 1 45 VAL H . . 3.600 3.492 2.966 3.604 0.004 15 0 "[ . 1 . 2]" 1
21 1 3 TYR H 1 45 VAL HB . . 4.130 3.954 3.437 4.091 . 0 0 "[ . 1 . 2]" 1
22 1 3 TYR H 1 45 VAL QG . . 4.940 4.181 3.831 4.362 . 0 0 "[ . 1 . 2]" 1
23 1 3 TYR H 1 46 ASP HA . . 4.450 3.462 3.204 3.896 . 0 0 "[ . 1 . 2]" 1
24 1 3 TYR H 1 47 THR H . . 4.470 4.415 4.384 4.441 . 0 0 "[ . 1 . 2]" 1
25 1 3 TYR HA 1 3 TYR QD . . 3.480 2.554 2.388 2.807 . 0 0 "[ . 1 . 2]" 1
26 1 3 TYR HA 1 4 THR H . . 2.840 2.265 2.137 2.558 . 0 0 "[ . 1 . 2]" 1
27 1 3 TYR HA 1 4 THR HB . . 5.500 4.767 4.549 5.143 . 0 0 "[ . 1 . 2]" 1
28 1 3 TYR HA 1 4 THR MG . . 5.500 5.383 5.146 5.468 . 0 0 "[ . 1 . 2]" 1
29 1 3 TYR HA 1 17 LYS QB . . 4.900 6.083 4.453 6.546 1.646 8 19 [*******+*1*******-**] 1
30 1 3 TYR HA 1 45 VAL QG . . 5.210 5.377 5.138 5.511 0.301 17 0 "[ . 1 . 2]" 1
31 1 3 TYR QB 1 4 THR H . . 3.530 2.777 2.092 3.301 . 0 0 "[ . 1 . 2]" 1
32 1 3 TYR QB 1 4 THR HA . . 5.500 4.186 4.015 4.362 . 0 0 "[ . 1 . 2]" 1
33 1 3 TYR QB 1 16 TYR HB2 . . 4.290 2.218 1.951 2.428 . 0 0 "[ . 1 . 2]" 1
34 1 3 TYR QB 1 16 TYR QD . . 3.890 2.350 2.107 2.537 . 0 0 "[ . 1 . 2]" 1
35 1 3 TYR QB 1 16 TYR QE . . 4.260 4.095 3.728 4.264 0.004 7 0 "[ . 1 . 2]" 1
36 1 3 TYR QB 1 17 LYS QG . . 5.140 2.828 2.192 4.720 . 0 0 "[ . 1 . 2]" 1
37 1 3 TYR QB 1 44 THR HA . . 4.930 4.429 4.291 4.557 . 0 0 "[ . 1 . 2]" 1
38 1 3 TYR QB 1 45 VAL H . . 4.530 2.967 2.757 3.207 . 0 0 "[ . 1 . 2]" 1
39 1 3 TYR QB 1 45 VAL HB . . 3.830 2.365 2.081 2.586 . 0 0 "[ . 1 . 2]" 1
40 1 3 TYR QB 1 45 VAL QG . . 4.330 3.185 2.951 3.325 . 0 0 "[ . 1 . 2]" 1
41 1 3 TYR QD 1 4 THR H . . 4.410 3.847 3.549 4.247 . 0 0 "[ . 1 . 2]" 1
42 1 3 TYR QD 1 16 TYR HB2 . . 5.210 3.966 3.741 4.166 . 0 0 "[ . 1 . 2]" 1
43 1 3 TYR QD 1 16 TYR HB3 . . 5.500 5.111 4.786 5.323 . 0 0 "[ . 1 . 2]" 1
44 1 3 TYR QD 1 16 TYR QD . . 4.080 2.590 2.294 3.040 . 0 0 "[ . 1 . 2]" 1
45 1 3 TYR QD 1 16 TYR QE . . 4.450 3.027 2.440 3.435 . 0 0 "[ . 1 . 2]" 1
46 1 3 TYR QD 1 17 LYS H . . 5.500 3.684 3.451 3.946 . 0 0 "[ . 1 . 2]" 1
47 1 3 TYR QD 1 17 LYS HA . . 5.500 5.396 5.114 5.545 0.045 2 0 "[ . 1 . 2]" 1
48 1 3 TYR QD 1 17 LYS QG . . 4.550 2.336 2.023 3.790 . 0 0 "[ . 1 . 2]" 1
49 1 3 TYR QD 1 18 ASN HA . . 4.510 4.294 3.992 4.510 . 0 0 "[ . 1 . 2]" 1
50 1 3 TYR QD 1 45 VAL H . . 5.040 4.557 4.213 4.846 . 0 0 "[ . 1 . 2]" 1
51 1 3 TYR QD 1 45 VAL HB . . 3.720 3.127 2.583 3.702 . 0 0 "[ . 1 . 2]" 1
52 1 3 TYR QD 1 45 VAL QG . . 4.050 2.976 2.560 3.648 . 0 0 "[ . 1 . 2]" 1
53 1 3 TYR QD 1 47 THR H . . 5.120 3.486 2.887 4.016 . 0 0 "[ . 1 . 2]" 1
54 1 3 TYR QD 1 47 THR HA . . 5.500 5.093 4.830 5.506 0.006 1 0 "[ . 1 . 2]" 1
55 1 3 TYR QD 1 47 THR MG . . 4.170 3.294 2.056 3.771 . 0 0 "[ . 1 . 2]" 1
56 1 3 TYR QE 1 16 TYR QD . . 4.900 3.947 3.780 4.151 . 0 0 "[ . 1 . 2]" 1
57 1 3 TYR QE 1 16 TYR QE . . 4.620 3.282 2.767 3.810 . 0 0 "[ . 1 . 2]" 1
58 1 3 TYR QE 1 17 LYS QG . . 3.640 2.853 2.376 3.435 . 0 0 "[ . 1 . 2]" 1
59 1 3 TYR QE 1 18 ASN HA . . 3.930 3.234 2.865 3.479 . 0 0 "[ . 1 . 2]" 1
60 1 3 TYR QE 1 45 VAL QG . . 5.310 4.301 3.662 4.987 . 0 0 "[ . 1 . 2]" 1
61 1 3 TYR QE 1 47 THR H . . 5.290 3.541 2.432 4.237 . 0 0 "[ . 1 . 2]" 1
62 1 4 THR H 1 4 THR HB . . 3.370 2.764 2.589 3.058 . 0 0 "[ . 1 . 2]" 1
63 1 4 THR H 1 5 GLY H . . 4.000 4.431 4.340 4.509 0.509 10 1 "[ . + . 2]" 1
64 1 4 THR H 1 44 THR HA . . 5.020 4.690 4.562 4.811 . 0 0 "[ . 1 . 2]" 1
65 1 4 THR H 1 44 THR MG . . 5.500 4.161 3.643 4.587 . 0 0 "[ . 1 . 2]" 1
66 1 4 THR HA 1 4 THR MG . . 3.560 2.235 1.990 2.352 . 0 0 "[ . 1 . 2]" 1
67 1 4 THR HA 1 5 GLY H . . 2.780 2.188 2.163 2.302 . 0 0 "[ . 1 . 2]" 1
68 1 4 THR HA 1 5 GLY QA . . 4.770 3.909 3.905 3.930 . 0 0 "[ . 1 . 2]" 1
69 1 4 THR HA 1 43 CYS H . . 5.120 5.086 5.023 5.130 0.010 20 0 "[ . 1 . 2]" 1
70 1 4 THR HA 1 44 THR H . . 5.390 4.817 4.645 5.017 . 0 0 "[ . 1 . 2]" 1
71 1 4 THR HA 1 44 THR HA . . 4.220 2.226 2.001 2.489 . 0 0 "[ . 1 . 2]" 1
72 1 4 THR HA 1 44 THR MG . . 3.890 2.046 1.892 2.233 . 0 0 "[ . 1 . 2]" 1
73 1 4 THR HA 1 45 VAL H . . 4.150 3.530 3.299 3.912 . 0 0 "[ . 1 . 2]" 1
74 1 4 THR HB 1 5 GLY H . . 5.170 3.953 3.453 4.109 . 0 0 "[ . 1 . 2]" 1
75 1 4 THR MG 1 5 GLY H . . 3.980 2.381 1.931 2.698 . 0 0 "[ . 1 . 2]" 1
76 1 4 THR MG 1 44 THR H . . 5.500 4.886 4.608 5.285 . 0 0 "[ . 1 . 2]" 1
77 1 5 GLY H 1 6 LYS H . . 4.750 4.280 4.172 4.338 . 0 0 "[ . 1 . 2]" 1
78 1 5 GLY H 1 16 TYR HB2 . . 5.460 5.349 5.025 5.430 . 0 0 "[ . 1 . 2]" 1
79 1 5 GLY H 1 16 TYR HB3 . . 5.180 4.972 4.665 5.168 . 0 0 "[ . 1 . 2]" 1
80 1 5 GLY H 1 16 TYR QD . . 5.330 6.583 6.296 6.738 1.408 11 20 [***-******+*********] 1
81 1 5 GLY H 1 43 CYS H . . 3.460 3.447 3.373 3.497 0.037 20 0 "[ . 1 . 2]" 1
82 1 5 GLY H 1 44 THR HA . . 3.960 2.806 2.558 3.110 . 0 0 "[ . 1 . 2]" 1
83 1 5 GLY H 1 44 THR MG . . 5.290 3.074 2.930 3.250 . 0 0 "[ . 1 . 2]" 1
84 1 5 GLY H 1 45 VAL H . . 5.500 4.396 4.051 5.095 . 0 0 "[ . 1 . 2]" 1
85 1 5 GLY QA 1 6 LYS H . . 2.980 2.227 2.184 2.259 . 0 0 "[ . 1 . 2]" 1
86 1 5 GLY QA 1 15 LYS H . . 5.030 4.357 3.967 4.770 . 0 0 "[ . 1 . 2]" 1
87 1 5 GLY QA 1 16 TYR HA . . 4.420 3.296 3.082 3.697 . 0 0 "[ . 1 . 2]" 1
88 1 5 GLY QA 1 16 TYR HB2 . . 4.120 4.261 4.025 4.480 0.360 7 0 "[ . 1 . 2]" 1
89 1 5 GLY QA 1 16 TYR HB3 . . 3.600 3.688 3.353 3.786 0.186 7 0 "[ . 1 . 2]" 1
90 1 5 GLY QA 1 16 TYR QD . . 5.310 5.279 5.066 5.416 0.106 17 0 "[ . 1 . 2]" 1
91 1 5 GLY QA 1 43 CYS H . . 4.860 4.433 4.355 4.522 . 0 0 "[ . 1 . 2]" 1
92 1 5 GLY QA 1 44 THR MG . . 5.500 4.824 4.719 4.908 . 0 0 "[ . 1 . 2]" 1
93 1 6 LYS H 1 6 LYS QG . . 4.570 3.196 2.602 3.329 . 0 0 "[ . 1 . 2]" 1
94 1 6 LYS H 1 7 CYS H . . 4.830 4.409 4.385 4.445 . 0 0 "[ . 1 . 2]" 1
95 1 6 LYS H 1 15 LYS H . . 3.800 3.345 2.993 3.758 . 0 0 "[ . 1 . 2]" 1
96 1 6 LYS H 1 43 CYS H . . 5.380 4.922 4.659 5.101 . 0 0 "[ . 1 . 2]" 1
97 1 6 LYS HA 1 7 CYS H . . 2.790 2.322 2.280 2.429 . 0 0 "[ . 1 . 2]" 1
98 1 6 LYS HA 1 7 CYS HA . . 5.170 4.387 4.356 4.435 . 0 0 "[ . 1 . 2]" 1
99 1 6 LYS HA 1 41 ASN H . . 5.230 4.047 3.845 4.400 . 0 0 "[ . 1 . 2]" 1
100 1 6 LYS HA 1 42 LYS HA . . 4.120 3.704 3.458 3.942 . 0 0 "[ . 1 . 2]" 1
101 1 6 LYS HA 1 43 CYS H . . 4.680 2.989 2.702 3.185 . 0 0 "[ . 1 . 2]" 1
102 1 6 LYS QB 1 7 CYS H . . 3.770 2.637 2.406 2.722 . 0 0 "[ . 1 . 2]" 1
103 1 6 LYS QB 1 40 ASN H . . 4.310 3.478 3.194 3.555 . 0 0 "[ . 1 . 2]" 1
104 1 6 LYS QB 1 40 ASN HA . . 3.180 1.931 1.880 2.023 . 0 0 "[ . 1 . 2]" 1
105 1 6 LYS QB 1 40 ASN HB2 . . 5.500 4.213 3.827 4.324 . 0 0 "[ . 1 . 2]" 1
106 1 6 LYS QB 1 40 ASN HB3 . . 4.560 3.431 3.276 4.195 . 0 0 "[ . 1 . 2]" 1
107 1 6 LYS QB 1 40 ASN HD22 . . 5.290 5.008 3.596 5.809 0.519 8 1 "[ . + 1 . 2]" 1
108 1 6 LYS QB 1 41 ASN H . . 5.140 2.720 2.616 3.077 . 0 0 "[ . 1 . 2]" 1
109 1 6 LYS QB 1 43 CYS H . . 4.860 4.580 4.474 4.630 . 0 0 "[ . 1 . 2]" 1
110 1 6 LYS QG 1 7 CYS H . . 4.980 4.211 4.081 4.370 . 0 0 "[ . 1 . 2]" 1
111 1 6 LYS QG 1 43 CYS H . . 4.090 3.671 3.543 3.944 . 0 0 "[ . 1 . 2]" 1
112 1 7 CYS H 1 7 CYS QB . . 3.840 2.790 2.234 3.019 . 0 0 "[ . 1 . 2]" 1
113 1 7 CYS H 1 8 THR H . . 5.140 4.384 4.349 4.534 . 0 0 "[ . 1 . 2]" 1
114 1 7 CYS H 1 15 LYS H . . 5.500 4.718 4.319 5.272 . 0 0 "[ . 1 . 2]" 1
115 1 7 CYS H 1 40 ASN H . . 4.790 3.982 3.733 4.132 . 0 0 "[ . 1 . 2]" 1
116 1 7 CYS H 1 40 ASN HA . . 4.220 3.807 3.534 4.045 . 0 0 "[ . 1 . 2]" 1
117 1 7 CYS H 1 41 ASN H . . 4.070 2.767 2.496 3.050 . 0 0 "[ . 1 . 2]" 1
118 1 7 CYS H 1 42 LYS HA . . 5.000 5.226 4.827 5.536 0.536 19 1 "[ . 1 . +2]" 1
119 1 7 CYS H 1 43 CYS H . . 5.020 4.749 4.481 5.007 . 0 0 "[ . 1 . 2]" 1
120 1 7 CYS H 1 43 CYS QB . . 5.290 3.997 3.541 4.264 . 0 0 "[ . 1 . 2]" 1
121 1 7 CYS HA 1 8 THR H . . 2.950 2.697 2.458 2.737 . 0 0 "[ . 1 . 2]" 1
122 1 7 CYS HA 1 8 THR MG . . 5.500 4.948 4.404 5.210 . 0 0 "[ . 1 . 2]" 1
123 1 7 CYS HA 1 13 GLU H . . 4.910 3.703 3.453 4.654 . 0 0 "[ . 1 . 2]" 1
124 1 7 CYS HA 1 14 CYS H . . 5.500 4.169 3.946 4.400 . 0 0 "[ . 1 . 2]" 1
125 1 7 CYS HA 1 14 CYS HA . . 3.040 2.102 1.951 2.338 . 0 0 "[ . 1 . 2]" 1
126 1 7 CYS HA 1 15 LYS H . . 3.610 2.964 2.541 3.552 . 0 0 "[ . 1 . 2]" 1
127 1 7 CYS HA 1 36 CYS QB . . 5.060 4.491 4.321 4.707 . 0 0 "[ . 1 . 2]" 1
128 1 7 CYS HA 1 41 ASN QD . . 5.260 4.078 3.846 4.676 . 0 0 "[ . 1 . 2]" 1
129 1 7 CYS HA 1 43 CYS QB . . 5.210 5.404 4.616 5.827 0.617 5 3 "[ + 1 - . * 2]" 1
130 1 7 CYS QB 1 8 THR H . . 3.350 2.155 1.929 2.638 . 0 0 "[ . 1 . 2]" 1
131 1 7 CYS QB 1 36 CYS QB . . 4.450 1.919 1.881 2.253 . 0 0 "[ . 1 . 2]" 1
132 1 7 CYS QB 1 43 CYS H . . 5.500 6.233 5.106 6.669 1.169 5 16 "[** *+****** **.*-**2]" 1
133 1 7 CYS QB 1 43 CYS QB . . 3.890 4.107 2.864 4.637 0.747 5 6 "[ * + 1- * . **2]" 1
134 1 8 THR H 1 8 THR HB . . 3.720 3.262 3.095 3.633 . 0 0 "[ . 1 . 2]" 1
135 1 8 THR H 1 8 THR MG . . 4.620 3.910 3.733 3.977 . 0 0 "[ . 1 . 2]" 1
136 1 8 THR H 1 9 LYS HA . . 5.500 4.762 4.538 5.160 . 0 0 "[ . 1 . 2]" 1
137 1 8 THR H 1 12 ASN H . . 5.010 4.194 4.050 4.894 . 0 0 "[ . 1 . 2]" 1
138 1 8 THR H 1 12 ASN HA . . 4.840 3.147 2.914 3.539 . 0 0 "[ . 1 . 2]" 1
139 1 8 THR H 1 13 GLU H . . 3.490 2.237 2.065 2.714 . 0 0 "[ . 1 . 2]" 1
140 1 8 THR H 1 14 CYS HA . . 3.930 4.260 3.867 4.395 0.465 20 0 "[ . 1 . 2]" 1
141 1 8 THR H 1 36 CYS QB . . 4.760 3.531 3.225 3.998 . 0 0 "[ . 1 . 2]" 1
142 1 8 THR HA 1 9 LYS H . . 2.960 2.146 2.141 2.154 . 0 0 "[ . 1 . 2]" 1
143 1 8 THR HA 1 10 SER H . . 3.450 3.555 3.453 3.675 0.225 8 0 "[ . 1 . 2]" 1
144 1 8 THR HA 1 10 SER QB . . 4.790 4.603 4.439 4.748 . 0 0 "[ . 1 . 2]" 1
145 1 8 THR HA 1 13 GLU H . . 5.300 5.021 4.883 5.235 . 0 0 "[ . 1 . 2]" 1
146 1 8 THR HA 1 39 ASP QB . . 4.580 3.802 3.450 4.120 . 0 0 "[ . 1 . 2]" 1
147 1 8 THR HB 1 9 LYS H . . 3.700 3.818 3.692 3.884 0.184 19 0 "[ . 1 . 2]" 1
148 1 8 THR HB 1 13 GLU H . . 4.530 4.373 3.718 4.479 . 0 0 "[ . 1 . 2]" 1
149 1 8 THR MG 1 10 SER QB . . 3.360 2.647 2.245 3.152 . 0 0 "[ . 1 . 2]" 1
150 1 8 THR MG 1 39 ASP QB . . 4.640 3.168 2.753 3.751 . 0 0 "[ . 1 . 2]" 1
151 1 8 THR MG 1 40 ASN H . . 4.740 3.377 2.882 3.820 . 0 0 "[ . 1 . 2]" 1
152 1 9 LYS H 1 9 LYS HB3 . . 3.100 2.482 2.348 2.699 . 0 0 "[ . 1 . 2]" 1
153 1 9 LYS H 1 9 LYS HG2 . . 3.090 3.044 2.470 3.287 0.197 10 0 "[ . 1 . 2]" 1
154 1 9 LYS H 1 9 LYS HG3 . . 4.360 2.447 2.083 2.650 . 0 0 "[ . 1 . 2]" 1
155 1 9 LYS H 1 10 SER H . . 5.200 2.677 2.635 2.789 . 0 0 "[ . 1 . 2]" 1
156 1 9 LYS H 1 12 ASN H . . 5.500 4.875 4.757 5.036 . 0 0 "[ . 1 . 2]" 1
157 1 9 LYS H 1 36 CYS QB . . 5.500 4.915 4.432 5.015 . 0 0 "[ . 1 . 2]" 1
158 1 9 LYS H 1 38 LYS H . . 5.200 3.831 3.547 4.314 . 0 0 "[ . 1 . 2]" 1
159 1 9 LYS H 1 38 LYS HA . . 5.500 3.948 3.812 4.255 . 0 0 "[ . 1 . 2]" 1
160 1 9 LYS H 1 38 LYS HB3 . . 5.300 5.272 5.214 5.331 0.031 15 0 "[ . 1 . 2]" 1
161 1 9 LYS H 1 39 ASP HA . . 3.380 2.459 2.069 2.578 . 0 0 "[ . 1 . 2]" 1
162 1 9 LYS H 1 39 ASP QB . . 4.450 3.493 2.931 4.073 . 0 0 "[ . 1 . 2]" 1
163 1 9 LYS H 1 40 ASN H . . 4.350 4.282 4.005 4.408 0.058 8 0 "[ . 1 . 2]" 1
164 1 9 LYS H 1 41 ASN H . . 5.490 5.471 5.357 5.514 0.024 9 0 "[ . 1 . 2]" 1
165 1 9 LYS HA 1 9 LYS HG3 . . 4.080 3.596 3.565 3.617 . 0 0 "[ . 1 . 2]" 1
166 1 9 LYS HA 1 12 ASN H . . 3.570 3.621 3.383 3.823 0.253 7 0 "[ . 1 . 2]" 1
167 1 9 LYS HA 1 36 CYS QB . . 3.900 4.152 3.466 4.420 0.520 12 1 "[ . 1 + . 2]" 1
168 1 9 LYS HA 1 37 THR HA . . 5.500 2.896 2.567 3.861 . 0 0 "[ . 1 . 2]" 1
169 1 9 LYS HA 1 38 LYS H . . 4.560 3.340 2.579 3.832 . 0 0 "[ . 1 . 2]" 1
170 1 9 LYS HB3 1 9 LYS HG2 . . 2.940 2.232 2.210 2.246 . 0 0 "[ . 1 . 2]" 1
171 1 9 LYS HB3 1 10 SER H . . 5.360 4.139 4.006 4.284 . 0 0 "[ . 1 . 2]" 1
172 1 9 LYS HB3 1 38 LYS H . . 4.080 3.012 2.726 3.431 . 0 0 "[ . 1 . 2]" 1
173 1 9 LYS HB3 1 39 ASP H . . 4.330 3.453 2.778 3.778 . 0 0 "[ . 1 . 2]" 1
174 1 9 LYS HG3 1 39 ASP H . . 5.410 4.418 4.000 4.970 . 0 0 "[ . 1 . 2]" 1
175 1 10 SER HA 1 12 ASN H . . 5.090 4.599 3.778 4.836 . 0 0 "[ . 1 . 2]" 1
176 1 11 LYS H 1 12 ASN H . . 5.250 2.111 1.882 2.619 . 0 0 "[ . 1 . 2]" 1
177 1 11 LYS H 1 12 ASN HA . . 5.390 4.223 3.992 4.852 . 0 0 "[ . 1 . 2]" 1
178 1 11 LYS HB2 1 12 ASN H . . 4.620 4.133 3.782 4.460 . 0 0 "[ . 1 . 2]" 1
179 1 11 LYS HB3 1 12 ASN H . . 4.630 4.095 3.744 4.554 . 0 0 "[ . 1 . 2]" 1
180 1 12 ASN H 1 12 ASN HA . . 2.810 2.276 2.274 2.299 . 0 0 "[ . 1 . 2]" 1
181 1 12 ASN H 1 12 ASN HB2 . . 3.670 3.437 3.100 3.936 0.266 8 0 "[ . 1 . 2]" 1
182 1 12 ASN H 1 12 ASN HB3 . . 4.150 3.395 2.929 4.023 . 0 0 "[ . 1 . 2]" 1
183 1 12 ASN H 1 13 GLU H . . 4.020 3.748 2.945 4.093 0.073 17 0 "[ . 1 . 2]" 1
184 1 12 ASN HA 1 13 GLU H . . 3.090 2.181 2.140 2.809 . 0 0 "[ . 1 . 2]" 1
185 1 12 ASN HA 1 36 CYS QB . . 3.720 3.138 2.373 4.072 0.352 12 0 "[ . 1 . 2]" 1
186 1 12 ASN HB2 1 13 GLU H . . 4.770 4.154 3.600 4.574 . 0 0 "[ . 1 . 2]" 1
187 1 12 ASN HB3 1 12 ASN QD . . 3.330 3.002 2.098 3.338 0.008 14 0 "[ . 1 . 2]" 1
188 1 12 ASN HB3 1 13 GLU H . . 5.040 4.388 3.741 4.622 . 0 0 "[ . 1 . 2]" 1
189 1 12 ASN HB3 1 28 CYS H . . 5.500 5.044 3.496 6.014 0.514 5 1 "[ + 1 . 2]" 1
190 1 12 ASN QD 1 27 LYS HB3 . . 4.900 3.363 1.916 4.672 . 0 0 "[ . 1 . 2]" 1
191 1 12 ASN QD 1 28 CYS H . . 5.280 1.925 1.820 2.176 . 0 0 "[ . 1 . 2]" 1
192 1 12 ASN QD 1 28 CYS QB . . 4.020 2.404 1.789 3.106 . 0 0 "[ . 1 . 2]" 1
193 1 12 ASN QD 1 30 LYS H . . 5.500 6.375 5.891 7.310 1.810 19 16 "[*****- 1********+*]" 1
194 1 12 ASN QD 1 35 LYS HA . . 4.450 4.156 3.123 4.513 0.063 11 0 "[ . 1 . 2]" 1
195 1 12 ASN QD 1 35 LYS HB3 . . 4.560 3.642 2.790 4.130 . 0 0 "[ . 1 . 2]" 1
196 1 12 ASN QD 1 35 LYS HD2 . . 5.500 4.126 2.673 4.983 . 0 0 "[ . 1 . 2]" 1
197 1 12 ASN QD 1 36 CYS H . . 4.630 2.627 2.081 3.189 . 0 0 "[ . 1 . 2]" 1
198 1 13 GLU H 1 13 GLU HB2 . . 3.580 3.073 2.162 3.227 . 0 0 "[ . 1 . 2]" 1
199 1 13 GLU H 1 13 GLU HB3 . . 3.940 3.565 3.203 3.738 . 0 0 "[ . 1 . 2]" 1
200 1 13 GLU H 1 13 GLU HG2 . . 4.740 4.823 4.557 4.961 0.221 6 0 "[ . 1 . 2]" 1
201 1 13 GLU H 1 13 GLU HG3 . . 4.950 4.512 3.840 4.778 . 0 0 "[ . 1 . 2]" 1
202 1 13 GLU H 1 14 CYS H . . 4.760 3.483 3.179 4.263 . 0 0 "[ . 1 . 2]" 1
203 1 13 GLU H 1 28 CYS H . . 4.950 5.820 5.317 6.336 1.386 8 17 "[** *-* + ***********]" 1
204 1 13 GLU H 1 36 CYS QB . . 5.190 3.499 2.999 4.335 . 0 0 "[ . 1 . 2]" 1
205 1 13 GLU HA 1 14 CYS H . . 2.790 2.208 2.147 2.290 . 0 0 "[ . 1 . 2]" 1
206 1 13 GLU HA 1 14 CYS QB . . 5.030 4.172 4.115 4.219 . 0 0 "[ . 1 . 2]" 1
207 1 13 GLU HA 1 26 ILE MG . . 4.740 4.782 4.293 5.312 0.572 12 1 "[ . 1 + . 2]" 1
208 1 13 GLU HA 1 27 LYS HA . . 3.750 2.538 2.094 3.005 . 0 0 "[ . 1 . 2]" 1
209 1 13 GLU HA 1 28 CYS H . . 5.500 4.886 4.399 5.137 . 0 0 "[ . 1 . 2]" 1
210 1 13 GLU HB2 1 14 CYS H . . 4.700 4.643 4.595 4.663 . 0 0 "[ . 1 . 2]" 1
211 1 13 GLU HB3 1 14 CYS H . . 4.720 4.116 3.950 4.243 . 0 0 "[ . 1 . 2]" 1
212 1 13 GLU HG2 1 14 CYS H . . 4.610 3.933 3.529 4.527 . 0 0 "[ . 1 . 2]" 1
213 1 13 GLU HG2 1 25 PHE QD . . 4.820 3.897 3.297 4.475 . 0 0 "[ . 1 . 2]" 1
214 1 13 GLU HG2 1 26 ILE H . . 5.400 3.280 2.612 4.058 . 0 0 "[ . 1 . 2]" 1
215 1 13 GLU HG2 1 27 LYS HA . . 4.360 4.285 3.756 4.710 0.350 10 0 "[ . 1 . 2]" 1
216 1 13 GLU HG3 1 14 CYS H . . 4.620 4.553 4.164 4.663 0.043 11 0 "[ . 1 . 2]" 1
217 1 13 GLU HG3 1 25 PHE QD . . 5.500 4.974 4.410 5.511 0.011 14 0 "[ . 1 . 2]" 1
218 1 13 GLU HG3 1 26 ILE H . . 5.420 4.753 4.113 5.405 . 0 0 "[ . 1 . 2]" 1
219 1 13 GLU HG3 1 27 LYS HA . . 4.690 3.937 2.822 4.531 . 0 0 "[ . 1 . 2]" 1
220 1 14 CYS H 1 14 CYS QB . . 3.220 2.206 2.111 2.312 . 0 0 "[ . 1 . 2]" 1
221 1 14 CYS H 1 15 LYS H . . 4.370 4.420 4.333 4.522 0.152 16 0 "[ . 1 . 2]" 1
222 1 14 CYS H 1 25 PHE HA . . 4.890 4.879 4.547 5.232 0.342 8 0 "[ . 1 . 2]" 1
223 1 14 CYS H 1 26 ILE H . . 3.590 3.231 2.786 3.566 . 0 0 "[ . 1 . 2]" 1
224 1 14 CYS H 1 26 ILE MG . . 4.230 3.535 2.972 3.990 . 0 0 "[ . 1 . 2]" 1
225 1 14 CYS H 1 27 LYS H . . 5.450 4.586 4.116 4.880 . 0 0 "[ . 1 . 2]" 1
226 1 14 CYS H 1 27 LYS HA . . 3.780 3.036 2.596 3.498 . 0 0 "[ . 1 . 2]" 1
227 1 14 CYS H 1 28 CYS H . . 4.410 4.894 4.184 5.052 0.642 16 16 "[ -**.*** ******+** *]" 1
228 1 14 CYS H 1 52 VAL QG . . 5.260 3.993 3.472 4.548 . 0 0 "[ . 1 . 2]" 1
229 1 14 CYS HA 1 15 LYS H . . 2.810 2.144 2.138 2.153 . 0 0 "[ . 1 . 2]" 1
230 1 14 CYS HA 1 15 LYS QB . . 4.920 4.086 4.045 4.112 . 0 0 "[ . 1 . 2]" 1
231 1 14 CYS QB 1 15 LYS H . . 4.210 3.719 3.483 3.891 . 0 0 "[ . 1 . 2]" 1
232 1 14 CYS QB 1 16 TYR QE . . 5.360 5.552 5.136 5.997 0.637 13 2 "[ . - 1 + . 2]" 1
233 1 14 CYS QB 1 26 ILE H . . 4.350 3.602 3.068 3.983 . 0 0 "[ . 1 . 2]" 1
234 1 14 CYS QB 1 26 ILE QG . . 4.840 4.418 3.967 5.715 0.875 18 1 "[ . 1 . + 2]" 1
235 1 14 CYS QB 1 26 ILE MG . . 3.590 2.554 1.914 3.274 . 0 0 "[ . 1 . 2]" 1
236 1 14 CYS QB 1 52 VAL QG . . 3.940 2.220 1.877 2.786 . 0 0 "[ . 1 . 2]" 1
237 1 15 LYS H 1 15 LYS QB . . 3.210 2.271 2.169 2.329 . 0 0 "[ . 1 . 2]" 1
238 1 15 LYS H 1 15 LYS HD2 . . 5.010 4.556 3.979 5.980 0.970 16 3 "[ . 1* -.+ 2]" 1
239 1 15 LYS H 1 15 LYS HG3 . . 5.150 4.637 4.368 4.797 . 0 0 "[ . 1 . 2]" 1
240 1 15 LYS H 1 16 TYR H . . 4.940 4.588 4.492 4.617 . 0 0 "[ . 1 . 2]" 1
241 1 15 LYS H 1 25 PHE HA . . 5.310 4.333 3.914 4.609 . 0 0 "[ . 1 . 2]" 1
242 1 15 LYS H 1 26 ILE H . . 5.260 4.644 4.438 4.969 . 0 0 "[ . 1 . 2]" 1
243 1 15 LYS HA 1 15 LYS HD2 . . 4.200 3.898 3.557 4.799 0.599 14 2 "[ . 1- +. 2]" 1
244 1 15 LYS HA 1 15 LYS HG3 . . 3.890 3.404 2.645 3.606 . 0 0 "[ . 1 . 2]" 1
245 1 15 LYS HA 1 16 TYR H . . 2.750 2.276 2.146 2.360 . 0 0 "[ . 1 . 2]" 1
246 1 15 LYS HA 1 24 THR H . . 4.620 4.483 4.148 4.618 . 0 0 "[ . 1 . 2]" 1
247 1 15 LYS HA 1 25 PHE HA . . 4.010 2.138 1.945 2.487 . 0 0 "[ . 1 . 2]" 1
248 1 15 LYS HA 1 26 ILE H . . 4.840 3.488 3.017 4.105 . 0 0 "[ . 1 . 2]" 1
249 1 15 LYS QB 1 15 LYS HD2 . . 3.350 2.450 2.092 3.295 . 0 0 "[ . 1 . 2]" 1
250 1 15 LYS QB 1 15 LYS HE2 . . 3.680 2.949 2.525 3.506 . 0 0 "[ . 1 . 2]" 1
251 1 15 LYS QB 1 15 LYS HE3 . . 3.700 2.711 2.069 3.583 . 0 0 "[ . 1 . 2]" 1
252 1 15 LYS QB 1 16 TYR H . . 4.230 3.475 3.303 3.787 . 0 0 "[ . 1 . 2]" 1
253 1 15 LYS QB 1 25 PHE HA . . 5.270 3.595 2.944 4.071 . 0 0 "[ . 1 . 2]" 1
254 1 15 LYS QB 1 25 PHE QD . . 3.840 2.292 1.981 2.932 . 0 0 "[ . 1 . 2]" 1
255 1 15 LYS QB 1 25 PHE QE . . 4.330 2.740 2.395 2.987 . 0 0 "[ . 1 . 2]" 1
256 1 15 LYS HD2 1 15 LYS HG3 . . 2.980 2.885 2.303 3.016 0.036 2 0 "[ . 1 . 2]" 1
257 1 15 LYS HD2 1 16 TYR H . . 4.050 3.235 2.541 4.422 0.372 14 0 "[ . 1 . 2]" 1
258 1 15 LYS HD2 1 23 ASP HA . . 5.500 4.376 3.434 5.362 . 0 0 "[ . 1 . 2]" 1
259 1 15 LYS HD2 1 23 ASP HB3 . . 5.090 4.581 2.053 5.512 0.422 4 0 "[ . 1 . 2]" 1
260 1 15 LYS HD2 1 24 THR H . . 5.370 4.868 4.384 5.345 . 0 0 "[ . 1 . 2]" 1
261 1 15 LYS HD2 1 25 PHE QD . . 5.500 5.081 4.665 5.636 0.136 20 0 "[ . 1 . 2]" 1
262 1 15 LYS HD2 1 25 PHE QE . . 4.720 4.774 3.447 5.173 0.453 10 0 "[ . 1 . 2]" 1
263 1 15 LYS HE2 1 23 ASP HB3 . . 4.980 4.192 2.421 5.533 0.553 4 1 "[ +. 1 . 2]" 1
264 1 15 LYS HE2 1 25 PHE QE . . 4.260 3.772 2.712 4.839 0.579 16 1 "[ . 1 .+ 2]" 1
265 1 15 LYS HG3 1 16 TYR H . . 4.120 3.531 1.995 4.413 0.293 4 0 "[ . 1 . 2]" 1
266 1 15 LYS HG3 1 23 ASP HA . . 5.500 4.170 3.333 5.132 . 0 0 "[ . 1 . 2]" 1
267 1 15 LYS HG3 1 23 ASP HB2 . . 5.500 4.203 2.001 5.731 0.231 7 0 "[ . 1 . 2]" 1
268 1 15 LYS HG3 1 23 ASP HB3 . . 4.620 3.687 2.490 4.623 0.003 6 0 "[ . 1 . 2]" 1
269 1 15 LYS HG3 1 24 THR H . . 4.890 4.502 3.425 5.030 0.140 9 0 "[ . 1 . 2]" 1
270 1 15 LYS HG3 1 25 PHE HA . . 5.500 4.695 4.217 5.064 . 0 0 "[ . 1 . 2]" 1
271 1 15 LYS HG3 1 25 PHE QD . . 4.920 3.251 2.453 4.045 . 0 0 "[ . 1 . 2]" 1
272 1 15 LYS HG3 1 25 PHE QE . . 4.040 2.523 1.988 4.042 0.002 14 0 "[ . 1 . 2]" 1
273 1 16 TYR H 1 16 TYR HB3 . . 3.890 3.340 3.175 3.426 . 0 0 "[ . 1 . 2]" 1
274 1 16 TYR H 1 16 TYR QD . . 3.540 2.563 2.057 2.804 . 0 0 "[ . 1 . 2]" 1
275 1 16 TYR H 1 16 TYR QE . . 5.490 4.409 4.071 4.576 . 0 0 "[ . 1 . 2]" 1
276 1 16 TYR H 1 17 LYS H . . 4.870 4.337 4.323 4.361 . 0 0 "[ . 1 . 2]" 1
277 1 16 TYR H 1 23 ASP HA . . 4.510 3.917 3.481 4.320 . 0 0 "[ . 1 . 2]" 1
278 1 16 TYR H 1 24 THR H . . 3.760 2.841 2.558 3.084 . 0 0 "[ . 1 . 2]" 1
279 1 16 TYR H 1 24 THR MG . . 5.420 4.683 4.307 4.970 . 0 0 "[ . 1 . 2]" 1
280 1 16 TYR H 1 25 PHE HA . . 4.110 3.688 3.395 3.895 . 0 0 "[ . 1 . 2]" 1
281 1 16 TYR H 1 25 PHE QE . . 5.500 5.196 4.741 5.495 . 0 0 "[ . 1 . 2]" 1
282 1 16 TYR HA 1 16 TYR QD . . 4.260 3.717 3.694 3.733 . 0 0 "[ . 1 . 2]" 1
283 1 16 TYR HA 1 17 LYS H . . 2.920 2.695 2.591 2.728 . 0 0 "[ . 1 . 2]" 1
284 1 16 TYR HB2 1 17 LYS H . . 3.250 2.068 1.994 2.183 . 0 0 "[ . 1 . 2]" 1
285 1 16 TYR HB3 1 17 LYS H . . 3.670 3.579 3.531 3.677 0.007 18 0 "[ . 1 . 2]" 1
286 1 16 TYR QD 1 17 LYS H . . 3.970 2.461 2.290 2.772 . 0 0 "[ . 1 . 2]" 1
287 1 16 TYR QD 1 17 LYS HA . . 5.190 4.171 3.957 4.410 . 0 0 "[ . 1 . 2]" 1
288 1 16 TYR QD 1 18 ASN H . . 5.260 4.688 4.412 4.985 . 0 0 "[ . 1 . 2]" 1
289 1 16 TYR QD 1 18 ASN HA . . 4.060 4.022 3.783 4.072 0.012 14 0 "[ . 1 . 2]" 1
290 1 16 TYR QD 1 24 THR H . . 5.500 4.225 4.059 4.471 . 0 0 "[ . 1 . 2]" 1
291 1 16 TYR QD 1 26 ILE H . . 5.250 3.857 3.446 4.718 . 0 0 "[ . 1 . 2]" 1
292 1 16 TYR QD 1 26 ILE MG . . 4.130 2.576 2.088 3.021 . 0 0 "[ . 1 . 2]" 1
293 1 16 TYR QE 1 18 ASN HA . . 4.320 3.179 2.615 3.607 . 0 0 "[ . 1 . 2]" 1
294 1 16 TYR QE 1 18 ASN HB2 . . 5.060 3.833 2.767 4.717 . 0 0 "[ . 1 . 2]" 1
295 1 16 TYR QE 1 18 ASN HB3 . . 4.510 2.726 1.993 3.508 . 0 0 "[ . 1 . 2]" 1
296 1 16 TYR QE 1 24 THR HB . . 5.080 3.107 2.741 3.537 . 0 0 "[ . 1 . 2]" 1
297 1 16 TYR QE 1 26 ILE H . . 5.200 4.154 3.467 4.897 . 0 0 "[ . 1 . 2]" 1
298 1 16 TYR QE 1 26 ILE QG . . 5.500 4.130 3.677 4.499 . 0 0 "[ . 1 . 2]" 1
299 1 16 TYR QE 1 26 ILE MG . . 3.770 2.384 1.980 2.807 . 0 0 "[ . 1 . 2]" 1
300 1 17 LYS H 1 17 LYS QB . . 3.210 2.971 2.427 3.040 . 0 0 "[ . 1 . 2]" 1
301 1 17 LYS H 1 17 LYS QG . . 4.940 2.124 1.926 3.946 . 0 0 "[ . 1 . 2]" 1
302 1 17 LYS H 1 18 ASN H . . 5.150 4.416 4.246 4.529 . 0 0 "[ . 1 . 2]" 1
303 1 17 LYS H 1 24 THR H . . 5.500 4.962 4.651 5.038 . 0 0 "[ . 1 . 2]" 1
304 1 17 LYS HA 1 18 ASN H . . 2.690 2.202 2.141 2.285 . 0 0 "[ . 1 . 2]" 1
305 1 17 LYS HA 1 21 GLY HA2 . . 5.500 4.158 3.571 4.699 . 0 0 "[ . 1 . 2]" 1
306 1 17 LYS HA 1 23 ASP HA . . 5.500 3.572 2.842 4.015 . 0 0 "[ . 1 . 2]" 1
307 1 17 LYS HA 1 24 THR H . . 4.230 3.401 3.148 3.672 . 0 0 "[ . 1 . 2]" 1
308 1 17 LYS QB 1 18 ASN H . . 4.060 3.014 2.690 3.541 . 0 0 "[ . 1 . 2]" 1
309 1 17 LYS QB 1 21 GLY HA2 . . 3.810 2.329 1.891 3.708 . 0 0 "[ . 1 . 2]" 1
310 1 17 LYS QG 1 18 ASN H . . 5.300 4.029 2.368 4.420 . 0 0 "[ . 1 . 2]" 1
311 1 18 ASN H 1 18 ASN HB3 . . 3.590 3.142 2.573 3.599 0.009 10 0 "[ . 1 . 2]" 1
312 1 18 ASN H 1 18 ASN QD . . 4.340 2.307 1.877 3.293 . 0 0 "[ . 1 . 2]" 1
313 1 18 ASN H 1 21 GLY HA2 . . 5.120 4.834 4.054 5.501 0.381 1 0 "[ . 1 . 2]" 1
314 1 18 ASN H 1 24 THR H . . 4.810 4.530 3.879 4.825 0.015 18 0 "[ . 1 . 2]" 1
315 1 18 ASN H 1 24 THR HB . . 5.360 4.376 3.477 4.981 . 0 0 "[ . 1 . 2]" 1
316 1 18 ASN HB2 1 19 ASP H . . 3.730 2.973 2.229 4.081 0.351 4 0 "[ . 1 . 2]" 1
317 1 18 ASN HB2 1 20 ALA H . . 5.100 5.426 4.950 5.556 0.456 7 0 "[ . 1 . 2]" 1
318 1 18 ASN HB3 1 19 ASP H . . 4.220 3.814 3.608 4.105 . 0 0 "[ . 1 . 2]" 1
319 1 18 ASN QD 1 19 ASP H . . 4.890 3.103 1.867 4.244 . 0 0 "[ . 1 . 2]" 1
320 1 18 ASN QD 1 20 ALA H . . 4.730 4.707 4.123 5.422 0.692 18 4 "[ . 1 * * +-2]" 1
321 1 18 ASN QD 1 20 ALA MB . . 4.380 6.284 5.822 6.838 2.458 18 20 [****-************+**] 1
322 1 18 ASN QD 1 21 GLY H . . 5.500 5.064 4.252 5.905 0.405 1 0 "[ . 1 . 2]" 1
323 1 18 ASN QD 1 22 LYS H . . 4.990 4.006 3.262 4.449 . 0 0 "[ . 1 . 2]" 1
324 1 18 ASN QD 1 22 LYS HB2 . . 3.780 2.561 2.152 2.912 . 0 0 "[ . 1 . 2]" 1
325 1 18 ASN QD 1 22 LYS HB3 . . 4.170 2.176 1.883 2.973 . 0 0 "[ . 1 . 2]" 1
326 1 18 ASN QD 1 22 LYS HG3 . . 5.500 3.996 2.993 5.098 . 0 0 "[ . 1 . 2]" 1
327 1 18 ASN QD 1 24 THR MG . . 5.070 3.488 3.057 3.972 . 0 0 "[ . 1 . 2]" 1
328 1 19 ASP H 1 19 ASP HB3 . . 4.100 3.402 2.272 4.055 . 0 0 "[ . 1 . 2]" 1
329 1 19 ASP H 1 20 ALA H . . 4.160 3.085 2.379 3.884 . 0 0 "[ . 1 . 2]" 1
330 1 19 ASP HB2 1 20 ALA H . . 4.710 3.174 2.006 4.438 . 0 0 "[ . 1 . 2]" 1
331 1 19 ASP HB3 1 20 ALA H . . 4.370 2.952 1.934 4.169 . 0 0 "[ . 1 . 2]" 1
332 1 20 ALA H 1 20 ALA MB . . 3.140 2.824 2.660 2.945 . 0 0 "[ . 1 . 2]" 1
333 1 20 ALA H 1 21 GLY H . . 3.000 2.334 1.863 2.998 . 0 0 "[ . 1 . 2]" 1
334 1 20 ALA H 1 21 GLY HA2 . . 4.980 4.603 4.159 5.097 0.117 13 0 "[ . 1 . 2]" 1
335 1 20 ALA H 1 21 GLY HA3 . . 5.300 4.662 4.311 5.164 . 0 0 "[ . 1 . 2]" 1
336 1 20 ALA H 1 22 LYS H . . 3.650 2.751 2.340 3.705 0.055 19 0 "[ . 1 . 2]" 1
337 1 20 ALA H 1 22 LYS HB2 . . 5.490 3.500 3.014 4.428 . 0 0 "[ . 1 . 2]" 1
338 1 20 ALA MB 1 21 GLY H . . 4.200 3.369 2.340 3.723 . 0 0 "[ . 1 . 2]" 1
339 1 20 ALA MB 1 21 GLY HA2 . . 5.500 4.720 4.084 5.003 . 0 0 "[ . 1 . 2]" 1
340 1 20 ALA MB 1 21 GLY HA3 . . 5.500 4.073 3.648 4.234 . 0 0 "[ . 1 . 2]" 1
341 1 20 ALA MB 1 22 LYS H . . 4.130 4.154 3.977 4.327 0.197 19 0 "[ . 1 . 2]" 1
342 1 21 GLY H 1 22 LYS H . . 3.080 2.085 1.885 2.354 . 0 0 "[ . 1 . 2]" 1
343 1 21 GLY H 1 22 LYS HG3 . . 5.410 5.189 3.987 6.117 0.707 13 3 "[ . 1 + . *-2]" 1
344 1 22 LYS H 1 22 LYS HB2 . . 3.210 2.162 2.080 2.457 . 0 0 "[ . 1 . 2]" 1
345 1 22 LYS H 1 22 LYS HB3 . . 3.630 3.453 3.340 3.587 . 0 0 "[ . 1 . 2]" 1
346 1 22 LYS H 1 22 LYS QE . . 5.500 4.604 3.307 5.237 . 0 0 "[ . 1 . 2]" 1
347 1 22 LYS H 1 22 LYS HG2 . . 4.390 3.505 2.245 4.302 . 0 0 "[ . 1 . 2]" 1
348 1 22 LYS H 1 22 LYS HG3 . . 4.110 3.569 3.081 4.133 0.023 19 0 "[ . 1 . 2]" 1
349 1 22 LYS H 1 23 ASP H . . 4.880 4.380 4.289 4.565 . 0 0 "[ . 1 . 2]" 1
350 1 22 LYS HA 1 22 LYS HG3 . . 4.180 3.210 2.242 3.734 . 0 0 "[ . 1 . 2]" 1
351 1 22 LYS HA 1 23 ASP H . . 2.680 2.165 2.141 2.186 . 0 0 "[ . 1 . 2]" 1
352 1 22 LYS HB3 1 23 ASP H . . 3.780 3.755 3.388 3.956 0.176 12 0 "[ . 1 . 2]" 1
353 1 23 ASP H 1 23 ASP HB2 . . 3.190 3.026 2.347 3.589 0.399 4 0 "[ . 1 . 2]" 1
354 1 23 ASP H 1 23 ASP HB3 . . 3.660 3.231 2.627 3.599 . 0 0 "[ . 1 . 2]" 1
355 1 23 ASP H 1 24 THR H . . 3.900 4.293 4.179 4.464 0.564 8 6 "[ * *+*1 . * -2]" 1
356 1 23 ASP HA 1 24 THR H . . 2.700 2.190 2.138 2.233 . 0 0 "[ . 1 . 2]" 1
357 1 23 ASP HA 1 24 THR HB . . 4.800 4.729 4.623 4.798 . 0 0 "[ . 1 . 2]" 1
358 1 23 ASP HA 1 25 PHE QE . . 5.090 5.098 4.590 5.636 0.546 9 1 "[ . +1 . 2]" 1
359 1 23 ASP HB2 1 24 THR H . . 4.600 4.153 3.548 4.492 . 0 0 "[ . 1 . 2]" 1
360 1 23 ASP HB2 1 25 PHE QE . . 4.230 3.767 2.568 4.599 0.369 16 0 "[ . 1 . 2]" 1
361 1 23 ASP HB3 1 24 THR H . . 3.970 4.044 3.525 4.500 0.530 4 3 "[ - +. 1 . * 2]" 1
362 1 23 ASP HB3 1 25 PHE QE . . 3.900 3.986 3.015 4.654 0.754 14 7 "[ * *** 1 *+. - 2]" 1
363 1 24 THR H 1 24 THR HB . . 3.360 2.643 2.541 2.801 . 0 0 "[ . 1 . 2]" 1
364 1 24 THR H 1 24 THR MG . . 4.410 3.852 3.810 3.904 . 0 0 "[ . 1 . 2]" 1
365 1 24 THR H 1 25 PHE H . . 5.470 4.384 4.286 4.505 . 0 0 "[ . 1 . 2]" 1
366 1 24 THR H 1 25 PHE QE . . 5.500 5.278 4.982 5.515 0.015 11 0 "[ . 1 . 2]" 1
367 1 24 THR HA 1 24 THR MG . . 3.440 2.366 2.263 2.415 . 0 0 "[ . 1 . 2]" 1
368 1 24 THR HA 1 25 PHE H . . 2.740 2.176 2.141 2.242 . 0 0 "[ . 1 . 2]" 1
369 1 24 THR HA 1 25 PHE HA . . 5.500 4.379 4.363 4.398 . 0 0 "[ . 1 . 2]" 1
370 1 24 THR HA 1 25 PHE QD . . 4.730 3.815 3.117 4.322 . 0 0 "[ . 1 . 2]" 1
371 1 24 THR HA 1 25 PHE QE . . 4.910 4.693 4.135 4.906 . 0 0 "[ . 1 . 2]" 1
372 1 24 THR HB 1 25 PHE H . . 4.920 4.129 3.908 4.315 . 0 0 "[ . 1 . 2]" 1
373 1 24 THR MG 1 25 PHE H . . 3.430 2.442 2.189 2.908 . 0 0 "[ . 1 . 2]" 1
374 1 25 PHE H 1 25 PHE HB2 . . 3.060 2.641 2.338 2.770 . 0 0 "[ . 1 . 2]" 1
375 1 25 PHE H 1 25 PHE QD . . 3.250 2.765 2.041 3.238 . 0 0 "[ . 1 . 2]" 1
376 1 25 PHE H 1 25 PHE QE . . 4.600 4.391 4.152 4.528 . 0 0 "[ . 1 . 2]" 1
377 1 25 PHE H 1 26 ILE H . . 5.130 4.516 4.431 4.583 . 0 0 "[ . 1 . 2]" 1
378 1 25 PHE HA 1 25 PHE QD . . 3.670 2.637 2.215 3.120 . 0 0 "[ . 1 . 2]" 1
379 1 25 PHE HA 1 25 PHE QE . . 5.500 4.644 4.512 4.814 . 0 0 "[ . 1 . 2]" 1
380 1 25 PHE HA 1 26 ILE H . . 2.790 2.219 2.148 2.481 . 0 0 "[ . 1 . 2]" 1
381 1 25 PHE HA 1 26 ILE MG . . 4.760 3.582 3.420 4.090 . 0 0 "[ . 1 . 2]" 1
382 1 25 PHE HB2 1 26 ILE H . . 3.930 3.896 3.214 4.092 0.162 20 0 "[ . 1 . 2]" 1
383 1 25 PHE HB2 1 26 ILE HA . . 5.180 4.519 4.155 4.805 . 0 0 "[ . 1 . 2]" 1
384 1 25 PHE QD 1 26 ILE H . . 4.870 4.221 4.073 4.359 . 0 0 "[ . 1 . 2]" 1
385 1 26 ILE H 1 26 ILE HB . . 3.780 3.352 3.113 3.601 . 0 0 "[ . 1 . 2]" 1
386 1 26 ILE H 1 26 ILE MD . . 5.080 4.362 4.327 4.516 . 0 0 "[ . 1 . 2]" 1
387 1 26 ILE H 1 26 ILE MG . . 3.410 2.229 2.013 2.603 . 0 0 "[ . 1 . 2]" 1
388 1 26 ILE H 1 27 LYS H . . 4.230 4.162 3.909 4.258 0.028 18 0 "[ . 1 . 2]" 1
389 1 26 ILE HA 1 26 ILE MD . . 3.460 2.167 2.017 3.093 . 0 0 "[ . 1 . 2]" 1
390 1 26 ILE HA 1 26 ILE QG . . 3.830 2.914 2.089 3.064 . 0 0 "[ . 1 . 2]" 1
391 1 26 ILE HA 1 26 ILE MG . . 3.660 3.189 3.165 3.202 . 0 0 "[ . 1 . 2]" 1
392 1 26 ILE HA 1 27 LYS H . . 2.680 2.149 2.138 2.180 . 0 0 "[ . 1 . 2]" 1
393 1 26 ILE MD 1 26 ILE MG . . 3.760 3.180 1.843 3.256 . 0 0 "[ . 1 . 2]" 1
394 1 26 ILE MD 1 27 LYS H . . 3.240 2.233 1.981 2.679 . 0 0 "[ . 1 . 2]" 1
395 1 26 ILE QG 1 26 ILE MG . . 3.070 2.115 2.064 2.517 . 0 0 "[ . 1 . 2]" 1
396 1 26 ILE QG 1 27 LYS H . . 3.520 3.013 2.373 3.330 . 0 0 "[ . 1 . 2]" 1
397 1 26 ILE MG 1 27 LYS H . . 4.510 4.018 3.483 4.176 . 0 0 "[ . 1 . 2]" 1
398 1 26 ILE MG 1 52 VAL HB . . 5.410 3.146 2.637 3.893 . 0 0 "[ . 1 . 2]" 1
399 1 26 ILE MG 1 52 VAL QG . . 3.490 2.959 2.367 3.488 . 0 0 "[ . 1 . 2]" 1
400 1 27 LYS H 1 27 LYS HB2 . . 3.500 3.110 2.493 3.609 0.109 5 0 "[ . 1 . 2]" 1
401 1 27 LYS H 1 27 LYS HB3 . . 3.620 3.046 2.347 3.595 . 0 0 "[ . 1 . 2]" 1
402 1 27 LYS H 1 27 LYS HG3 . . 3.680 2.727 1.979 3.982 0.302 16 0 "[ . 1 . 2]" 1
403 1 27 LYS HA 1 27 LYS HG3 . . 4.020 3.389 2.460 3.911 . 0 0 "[ . 1 . 2]" 1
404 1 27 LYS HA 1 28 CYS H . . 2.720 2.610 2.230 2.764 0.044 2 0 "[ . 1 . 2]" 1
405 1 27 LYS HA 1 28 CYS QB . . 5.420 4.226 3.995 4.737 . 0 0 "[ . 1 . 2]" 1
406 1 27 LYS HB2 1 28 CYS H . . 4.030 2.612 1.941 3.404 . 0 0 "[ . 1 . 2]" 1
407 1 27 LYS HB3 1 28 CYS H . . 4.250 2.851 1.934 3.958 . 0 0 "[ . 1 . 2]" 1
408 1 28 CYS H 1 28 CYS QB . . 3.230 2.478 2.094 2.760 . 0 0 "[ . 1 . 2]" 1
409 1 28 CYS HA 1 29 PRO HA . . 4.380 4.604 4.499 4.658 0.278 13 0 "[ . 1 . 2]" 1
410 1 28 CYS HA 1 29 PRO HD2 . . 3.170 2.001 1.920 2.105 . 0 0 "[ . 1 . 2]" 1
411 1 28 CYS HA 1 29 PRO QG . . 5.500 3.855 3.765 3.937 . 0 0 "[ . 1 . 2]" 1
412 1 28 CYS HA 1 52 VAL HB . . 3.980 3.752 3.328 4.033 0.053 2 0 "[ . 1 . 2]" 1
413 1 28 CYS HA 1 52 VAL QG . . 3.560 1.893 1.855 1.935 . 0 0 "[ . 1 . 2]" 1
414 1 28 CYS QB 1 29 PRO QG . . 5.480 5.247 5.024 5.390 . 0 0 "[ . 1 . 2]" 1
415 1 28 CYS QB 1 35 LYS HA . . 3.090 2.572 1.963 3.565 0.475 10 0 "[ . 1 . 2]" 1
416 1 28 CYS QB 1 36 CYS H . . 4.450 2.602 2.311 3.285 . 0 0 "[ . 1 . 2]" 1
417 1 28 CYS QB 1 52 VAL QG . . 4.510 2.696 2.020 3.211 . 0 0 "[ . 1 . 2]" 1
418 1 28 CYS QB 1 54 CYS H . . 5.500 4.299 3.373 5.197 . 0 0 "[ . 1 . 2]" 1
419 1 29 PRO HA 1 30 LYS H . . 2.750 3.462 3.435 3.552 0.802 19 20 [************-*****+*] 1
420 1 29 PRO HA 1 30 LYS HA . . 5.500 4.865 4.824 4.937 . 0 0 "[ . 1 . 2]" 1
421 1 29 PRO HA 1 31 PHE H . . 4.440 4.873 4.496 5.031 0.591 10 8 "[ **-* + . ***2]" 1
422 1 29 PRO QB 1 30 LYS H . . 3.580 3.406 3.031 3.486 . 0 0 "[ . 1 . 2]" 1
423 1 29 PRO QB 1 31 PHE H . . 3.440 5.555 5.373 5.657 2.217 10 20 [*********+**-*******] 1
424 1 29 PRO QB 1 31 PHE QB . . 5.200 7.279 6.927 7.468 2.268 6 20 [*****+******-*******] 1
425 1 29 PRO QB 1 31 PHE QE . . 3.700 7.680 7.377 7.756 4.056 9 20 [********+*********-*] 1
426 1 29 PRO QB 1 31 PHE HZ . . 5.200 9.185 8.784 9.503 4.303 13 20 [************+*****-*] 1
427 1 29 PRO HD2 1 52 VAL H . . 5.110 3.421 2.094 4.332 . 0 0 "[ . 1 . 2]" 1
428 1 29 PRO HD2 1 52 VAL HB . . 3.380 3.507 2.759 3.712 0.332 13 0 "[ . 1 . 2]" 1
429 1 29 PRO HD2 1 52 VAL QG . . 3.790 2.358 1.878 2.980 . 0 0 "[ . 1 . 2]" 1
430 1 29 PRO QG 1 30 LYS H . . 5.400 2.670 2.127 2.803 . 0 0 "[ . 1 . 2]" 1
431 1 29 PRO QG 1 31 PHE H . . 5.010 5.449 4.981 5.547 0.537 17 3 "[ . *1 - . + 2]" 1
432 1 29 PRO QG 1 31 PHE QE . . 5.500 6.909 6.316 7.212 1.712 13 20 [************+*****-*] 1
433 1 29 PRO QG 1 52 VAL H . . 5.300 3.607 2.662 3.994 . 0 0 "[ . 1 . 2]" 1
434 1 29 PRO QG 1 52 VAL HB . . 5.460 4.553 3.687 5.012 . 0 0 "[ . 1 . 2]" 1
435 1 29 PRO QG 1 52 VAL QG . . 5.500 3.538 2.570 4.270 . 0 0 "[ . 1 . 2]" 1
436 1 30 LYS H 1 30 LYS HB2 . . 3.620 2.112 2.059 2.351 . 0 0 "[ . 1 . 2]" 1
437 1 30 LYS H 1 30 LYS HB3 . . 3.290 3.319 3.221 3.566 0.276 9 0 "[ . 1 . 2]" 1
438 1 30 LYS H 1 30 LYS HG3 . . 3.500 3.895 3.421 4.331 0.831 14 9 "[* * * * 1* +. -**2]" 1
439 1 30 LYS H 1 31 PHE H . . 3.210 3.002 2.942 3.064 . 0 0 "[ . 1 . 2]" 1
440 1 30 LYS H 1 31 PHE HA . . 5.500 5.385 5.287 5.490 . 0 0 "[ . 1 . 2]" 1
441 1 30 LYS H 1 31 PHE QE . . 5.040 5.158 5.110 5.235 0.195 17 0 "[ . 1 . 2]" 1
442 1 30 LYS HA 1 30 LYS HG3 . . 3.950 3.278 2.383 3.706 . 0 0 "[ . 1 . 2]" 1
443 1 30 LYS HB2 1 31 PHE H . . 3.990 2.769 2.213 3.001 . 0 0 "[ . 1 . 2]" 1
444 1 30 LYS HB3 1 31 PHE H . . 4.360 2.402 2.197 2.900 . 0 0 "[ . 1 . 2]" 1
445 1 30 LYS HB3 1 31 PHE HA . . 4.900 4.126 4.029 4.326 . 0 0 "[ . 1 . 2]" 1
446 1 30 LYS HB3 1 31 PHE QE . . 4.950 3.169 2.988 3.490 . 0 0 "[ . 1 . 2]" 1
447 1 30 LYS HG3 1 31 PHE H . . 4.440 4.688 4.529 4.897 0.457 13 0 "[ . 1 . 2]" 1
448 1 30 LYS HG3 1 31 PHE QE . . 5.500 4.228 3.656 5.093 . 0 0 "[ . 1 . 2]" 1
449 1 31 PHE H 1 31 PHE QB . . 3.260 2.868 2.741 3.019 . 0 0 "[ . 1 . 2]" 1
450 1 31 PHE H 1 31 PHE QE . . 3.880 3.881 3.874 3.906 0.026 13 0 "[ . 1 . 2]" 1
451 1 31 PHE H 1 31 PHE HZ . . 4.930 5.265 5.229 5.407 0.477 13 0 "[ . 1 . 2]" 1
452 1 31 PHE QB 1 34 LYS H . . 4.160 2.276 1.931 2.642 . 0 0 "[ . 1 . 2]" 1
453 1 32 ASP HA 1 34 LYS H . . 4.630 4.225 3.891 4.687 0.057 13 0 "[ . 1 . 2]" 1
454 1 32 ASP HA 1 35 LYS H . . 4.550 4.335 4.002 4.542 . 0 0 "[ . 1 . 2]" 1
455 1 32 ASP HA 1 35 LYS HB3 . . 4.190 3.602 3.003 4.183 . 0 0 "[ . 1 . 2]" 1
456 1 32 ASP HA 1 35 LYS QG . . 4.950 4.611 4.009 5.557 0.607 18 1 "[ . 1 . + 2]" 1
457 1 32 ASP HB3 1 33 ASN H . . 4.920 3.799 2.743 4.496 . 0 0 "[ . 1 . 2]" 1
458 1 33 ASN H 1 34 LYS H . . 4.310 2.007 1.872 2.284 . 0 0 "[ . 1 . 2]" 1
459 1 33 ASN H 1 34 LYS HA . . 4.780 4.676 4.563 4.746 . 0 0 "[ . 1 . 2]" 1
460 1 33 ASN H 1 35 LYS H . . 5.500 3.776 3.202 4.106 . 0 0 "[ . 1 . 2]" 1
461 1 33 ASN H 1 35 LYS HA . . 5.350 5.756 4.952 6.314 0.964 14 5 "[ * . 1 +.**- 2]" 1
462 1 33 ASN HA 1 33 ASN HD21 . . 3.360 3.309 3.269 3.340 . 0 0 "[ . 1 . 2]" 1
463 1 33 ASN HA 1 33 ASN HD22 . . 3.270 2.175 1.989 2.278 . 0 0 "[ . 1 . 2]" 1
464 1 33 ASN QB 1 34 LYS H . . 5.110 3.290 2.773 3.659 . 0 0 "[ . 1 . 2]" 1
465 1 33 ASN QB 1 34 LYS HD3 . . 3.930 3.177 2.463 3.834 . 0 0 "[ . 1 . 2]" 1
466 1 33 ASN QB 1 34 LYS QG . . 3.730 2.926 2.550 3.521 . 0 0 "[ . 1 . 2]" 1
467 1 33 ASN HD22 1 34 LYS H . . 5.290 4.942 4.580 5.210 . 0 0 "[ . 1 . 2]" 1
468 1 34 LYS H 1 34 LYS QB . . 3.410 2.690 2.491 2.827 . 0 0 "[ . 1 . 2]" 1
469 1 34 LYS H 1 34 LYS HD3 . . 5.500 4.164 2.479 4.883 . 0 0 "[ . 1 . 2]" 1
470 1 34 LYS H 1 34 LYS QG . . 4.210 2.789 2.428 3.475 . 0 0 "[ . 1 . 2]" 1
471 1 34 LYS H 1 35 LYS H . . 2.770 2.294 1.881 2.758 . 0 0 "[ . 1 . 2]" 1
472 1 34 LYS H 1 35 LYS HA . . 4.480 4.298 3.988 4.434 . 0 0 "[ . 1 . 2]" 1
473 1 34 LYS H 1 35 LYS QG . . 5.490 4.165 3.297 4.914 . 0 0 "[ . 1 . 2]" 1
474 1 34 LYS HA 1 34 LYS HD3 . . 3.830 3.238 2.229 4.436 0.606 8 1 "[ . + 1 . 2]" 1
475 1 34 LYS QB 1 35 LYS H . . 4.790 3.688 3.433 3.874 . 0 0 "[ . 1 . 2]" 1
476 1 34 LYS QB 1 54 CYS H . . 3.820 6.700 5.715 7.849 4.029 5 20 [****+***-***********] 1
477 1 35 LYS H 1 35 LYS HB3 . . 3.500 2.604 2.338 2.711 . 0 0 "[ . 1 . 2]" 1
478 1 35 LYS H 1 35 LYS QG . . 3.730 2.137 1.854 2.729 . 0 0 "[ . 1 . 2]" 1
479 1 35 LYS H 1 36 CYS H . . 5.320 4.578 4.460 4.647 . 0 0 "[ . 1 . 2]" 1
480 1 35 LYS H 1 54 CYS QB . . 5.490 5.289 4.811 5.987 0.497 20 0 "[ . 1 . 2]" 1
481 1 35 LYS HA 1 36 CYS H . . 2.860 2.544 2.314 2.723 . 0 0 "[ . 1 . 2]" 1
482 1 35 LYS HA 1 54 CYS QB . . 4.050 3.020 2.493 3.692 . 0 0 "[ . 1 . 2]" 1
483 1 35 LYS HB3 1 36 CYS H . . 3.760 3.588 3.466 3.772 0.012 9 0 "[ . 1 . 2]" 1
484 1 35 LYS QG 1 36 CYS H . . 4.750 3.406 2.699 4.251 . 0 0 "[ . 1 . 2]" 1
485 1 35 LYS QG 1 37 THR MG . . 4.350 3.172 2.622 4.222 . 0 0 "[ . 1 . 2]" 1
486 1 36 CYS H 1 36 CYS QB . . 3.460 2.305 2.144 2.640 . 0 0 "[ . 1 . 2]" 1
487 1 36 CYS H 1 37 THR H . . 4.880 4.481 4.365 4.635 . 0 0 "[ . 1 . 2]" 1
488 1 36 CYS H 1 37 THR MG . . 5.500 4.695 4.365 5.467 . 0 0 "[ . 1 . 2]" 1
489 1 36 CYS H 1 54 CYS QB . . 3.680 2.639 2.080 3.138 . 0 0 "[ . 1 . 2]" 1
490 1 36 CYS HA 1 37 THR H . . 2.880 2.158 2.138 2.257 . 0 0 "[ . 1 . 2]" 1
491 1 36 CYS HA 1 37 THR MG . . 4.880 4.044 3.627 4.277 . 0 0 "[ . 1 . 2]" 1
492 1 36 CYS HA 1 38 LYS H . . 4.340 3.796 3.451 4.025 . 0 0 "[ . 1 . 2]" 1
493 1 36 CYS HA 1 54 CYS QB . . 3.550 2.576 2.261 2.754 . 0 0 "[ . 1 . 2]" 1
494 1 36 CYS QB 1 37 THR H . . 5.070 3.349 2.763 3.596 . 0 0 "[ . 1 . 2]" 1
495 1 36 CYS QB 1 38 LYS H . . 4.700 3.117 2.793 3.328 . 0 0 "[ . 1 . 2]" 1
496 1 37 THR H 1 37 THR MG . . 3.690 3.054 2.167 3.507 . 0 0 "[ . 1 . 2]" 1
497 1 37 THR H 1 38 LYS H . . 3.000 2.551 1.885 2.986 . 0 0 "[ . 1 . 2]" 1
498 1 37 THR H 1 38 LYS HA . . 5.500 4.819 4.475 5.055 . 0 0 "[ . 1 . 2]" 1
499 1 37 THR H 1 38 LYS HB3 . . 5.340 4.954 4.406 5.151 . 0 0 "[ . 1 . 2]" 1
500 1 37 THR H 1 41 ASN QB . . 5.500 4.625 4.575 4.667 . 0 0 "[ . 1 . 2]" 1
501 1 37 THR H 1 41 ASN QD . . 3.870 3.839 2.529 4.074 0.204 9 0 "[ . 1 . 2]" 1
502 1 37 THR H 1 54 CYS QB . . 5.020 4.493 4.343 4.614 . 0 0 "[ . 1 . 2]" 1
503 1 37 THR H 1 55 ASP H . . 5.480 4.959 4.668 5.162 . 0 0 "[ . 1 . 2]" 1
504 1 37 THR HA 1 37 THR MG . . 3.250 2.292 2.055 3.197 . 0 0 "[ . 1 . 2]" 1
505 1 37 THR MG 1 38 LYS H . . 4.670 4.298 3.747 4.408 . 0 0 "[ . 1 . 2]" 1
506 1 38 LYS H 1 38 LYS HB2 . . 3.520 2.825 2.570 2.959 . 0 0 "[ . 1 . 2]" 1
507 1 38 LYS H 1 38 LYS HB3 . . 3.670 3.471 3.219 3.609 . 0 0 "[ . 1 . 2]" 1
508 1 38 LYS H 1 38 LYS HD3 . . 5.170 5.460 3.856 6.158 0.988 2 8 "[ + **- 1 **. **]" 1
509 1 38 LYS H 1 39 ASP H . . 4.320 4.374 4.320 4.466 0.146 1 0 "[ . 1 . 2]" 1
510 1 38 LYS H 1 41 ASN H . . 5.420 5.069 4.971 5.195 . 0 0 "[ . 1 . 2]" 1
511 1 38 LYS H 1 41 ASN QB . . 4.350 3.843 3.596 4.100 . 0 0 "[ . 1 . 2]" 1
512 1 38 LYS H 1 41 ASN QD . . 3.330 2.621 2.115 2.929 . 0 0 "[ . 1 . 2]" 1
513 1 38 LYS HA 1 38 LYS HB3 . . 2.980 2.854 2.802 2.940 . 0 0 "[ . 1 . 2]" 1
514 1 38 LYS HA 1 39 ASP H . . 2.650 2.344 2.254 2.563 . 0 0 "[ . 1 . 2]" 1
515 1 38 LYS HA 1 39 ASP QB . . 4.640 4.350 3.962 4.466 . 0 0 "[ . 1 . 2]" 1
516 1 38 LYS HA 1 41 ASN QD . . 5.500 4.136 3.764 4.249 . 0 0 "[ . 1 . 2]" 1
517 1 38 LYS HB2 1 38 LYS HG3 . . 2.950 2.340 2.235 3.013 0.063 15 0 "[ . 1 . 2]" 1
518 1 38 LYS HB2 1 39 ASP H . . 3.860 4.109 3.817 4.238 0.378 12 0 "[ . 1 . 2]" 1
519 1 38 LYS HB2 1 41 ASN QB . . 4.230 2.635 2.463 3.010 . 0 0 "[ . 1 . 2]" 1
520 1 38 LYS HB2 1 41 ASN QD . . 4.000 3.239 2.358 3.557 . 0 0 "[ . 1 . 2]" 1
521 1 38 LYS HB3 1 39 ASP H . . 3.310 2.960 2.684 3.101 . 0 0 "[ . 1 . 2]" 1
522 1 38 LYS HB3 1 41 ASN QB . . 3.450 1.935 1.874 1.954 . 0 0 "[ . 1 . 2]" 1
523 1 38 LYS HB3 1 41 ASN QD . . 3.630 2.856 2.094 2.965 . 0 0 "[ . 1 . 2]" 1
524 1 38 LYS HD3 1 39 ASP H . . 3.910 2.910 1.991 4.646 0.736 15 1 "[ . 1 + 2]" 1
525 1 38 LYS HD3 1 41 ASN QB . . 5.360 4.607 3.208 5.203 . 0 0 "[ . 1 . 2]" 1
526 1 38 LYS HD3 1 41 ASN QD . . 5.470 5.481 4.025 6.204 0.734 2 8 "[ + **- 1 **. **]" 1
527 1 38 LYS HG3 1 39 ASP H . . 4.600 4.192 1.927 4.691 0.091 12 0 "[ . 1 . 2]" 1
528 1 39 ASP H 1 39 ASP QB . . 3.130 2.538 2.191 2.915 . 0 0 "[ . 1 . 2]" 1
529 1 39 ASP H 1 40 ASN H . . 4.580 4.450 4.391 4.523 . 0 0 "[ . 1 . 2]" 1
530 1 39 ASP H 1 41 ASN QD . . 5.500 4.283 3.339 4.542 . 0 0 "[ . 1 . 2]" 1
531 1 39 ASP HA 1 40 ASN H . . 2.640 2.144 2.139 2.158 . 0 0 "[ . 1 . 2]" 1
532 1 39 ASP HA 1 41 ASN H . . 3.960 3.809 3.455 3.963 0.003 5 0 "[ . 1 . 2]" 1
533 1 39 ASP QB 1 40 ASN H . . 3.780 3.340 3.234 3.610 . 0 0 "[ . 1 . 2]" 1
534 1 39 ASP QB 1 40 ASN HB2 . . 4.580 4.056 3.643 4.390 . 0 0 "[ . 1 . 2]" 1
535 1 40 ASN H 1 40 ASN HA . . 2.750 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
536 1 40 ASN H 1 41 ASN H . . 3.100 2.662 2.601 2.811 . 0 0 "[ . 1 . 2]" 1
537 1 40 ASN H 1 41 ASN QB . . 5.170 4.703 4.620 4.879 . 0 0 "[ . 1 . 2]" 1
538 1 40 ASN HA 1 40 ASN HD22 . . 5.500 3.977 2.991 4.528 . 0 0 "[ . 1 . 2]" 1
539 1 40 ASN HA 1 41 ASN H . . 3.450 2.805 2.719 2.997 . 0 0 "[ . 1 . 2]" 1
540 1 40 ASN HB2 1 40 ASN HD22 . . 3.460 2.633 2.114 3.450 . 0 0 "[ . 1 . 2]" 1
541 1 40 ASN HB2 1 41 ASN H . . 5.350 4.221 4.003 4.636 . 0 0 "[ . 1 . 2]" 1
542 1 40 ASN HB3 1 41 ASN H . . 5.210 4.510 4.284 4.564 . 0 0 "[ . 1 . 2]" 1
543 1 41 ASN H 1 41 ASN QB . . 2.920 2.601 2.494 2.791 . 0 0 "[ . 1 . 2]" 1
544 1 41 ASN H 1 41 ASN QD . . 4.160 2.416 1.857 3.252 . 0 0 "[ . 1 . 2]" 1
545 1 41 ASN H 1 42 LYS H . . 4.400 4.459 4.421 4.510 0.110 15 0 "[ . 1 . 2]" 1
546 1 41 ASN HA 1 42 LYS H . . 3.120 2.710 2.658 2.744 . 0 0 "[ . 1 . 2]" 1
547 1 41 ASN QB 1 42 LYS H . . 3.280 1.900 1.871 1.933 . 0 0 "[ . 1 . 2]" 1
548 1 41 ASN QB 1 55 ASP H . . 4.330 3.880 3.560 4.111 . 0 0 "[ . 1 . 2]" 1
549 1 41 ASN QB 1 55 ASP QB . . 4.130 2.347 2.018 2.763 . 0 0 "[ . 1 . 2]" 1
550 1 41 ASN QD 1 42 LYS H . . 5.500 4.536 4.368 4.695 . 0 0 "[ . 1 . 2]" 1
551 1 41 ASN QD 1 55 ASP H . . 5.250 4.214 3.218 4.534 . 0 0 "[ . 1 . 2]" 1
552 1 41 ASN QD 1 55 ASP QB . . 4.780 3.856 3.018 4.115 . 0 0 "[ . 1 . 2]" 1
553 1 42 LYS H 1 42 LYS HB3 . . 2.940 3.127 2.679 3.721 0.781 1 8 "[+* . * - ** * *]" 1
554 1 42 LYS H 1 42 LYS QG . . 4.480 3.428 2.314 4.097 . 0 0 "[ . 1 . 2]" 1
555 1 42 LYS H 1 43 CYS H . . 4.720 4.266 4.217 4.360 . 0 0 "[ . 1 . 2]" 1
556 1 42 LYS H 1 55 ASP H . . 4.560 4.384 3.954 4.557 . 0 0 "[ . 1 . 2]" 1
557 1 42 LYS H 1 55 ASP HA . . 5.310 4.886 3.966 5.249 . 0 0 "[ . 1 . 2]" 1
558 1 42 LYS H 1 55 ASP QB . . 3.820 2.872 2.145 3.579 . 0 0 "[ . 1 . 2]" 1
559 1 42 LYS HA 1 43 CYS H . . 2.630 2.150 2.141 2.158 . 0 0 "[ . 1 . 2]" 1
560 1 42 LYS HB3 1 43 CYS H . . 4.080 4.006 3.525 4.258 0.178 11 0 "[ . 1 . 2]" 1
561 1 42 LYS QG 1 43 CYS H . . 3.800 3.651 2.965 4.514 0.714 20 8 "[** . * * *- * +]" 1
562 1 43 CYS H 1 44 THR H . . 4.820 4.304 4.182 4.415 . 0 0 "[ . 1 . 2]" 1
563 1 43 CYS H 1 44 THR MG . . 5.190 4.150 3.855 4.688 . 0 0 "[ . 1 . 2]" 1
564 1 43 CYS H 1 54 CYS HA . . 5.260 5.161 4.758 5.279 0.019 7 0 "[ . 1 . 2]" 1
565 1 43 CYS H 1 55 ASP H . . 5.130 5.396 5.115 5.487 0.357 15 0 "[ . 1 . 2]" 1
566 1 43 CYS HA 1 44 THR H . . 2.950 2.244 2.147 2.709 . 0 0 "[ . 1 . 2]" 1
567 1 43 CYS HA 1 44 THR HA . . 4.930 4.416 4.385 4.651 . 0 0 "[ . 1 . 2]" 1
568 1 43 CYS HA 1 44 THR MG . . 4.920 3.875 3.285 4.537 . 0 0 "[ . 1 . 2]" 1
569 1 43 CYS HA 1 53 ASP QB . . 4.870 3.355 2.711 4.241 . 0 0 "[ . 1 . 2]" 1
570 1 43 CYS HA 1 54 CYS HA . . 3.830 3.209 2.652 3.451 . 0 0 "[ . 1 . 2]" 1
571 1 43 CYS HA 1 55 ASP H . . 3.980 4.065 3.652 4.175 0.195 11 0 "[ . 1 . 2]" 1
572 1 43 CYS QB 1 44 THR H . . 3.510 2.881 2.005 3.205 . 0 0 "[ . 1 . 2]" 1
573 1 43 CYS QB 1 54 CYS QB . . 4.600 3.474 2.941 3.807 . 0 0 "[ . 1 . 2]" 1
574 1 43 CYS QB 1 55 ASP H . . 4.440 2.895 2.531 3.226 . 0 0 "[ . 1 . 2]" 1
575 1 44 THR H 1 44 THR HB . . 4.140 3.732 3.616 3.951 . 0 0 "[ . 1 . 2]" 1
576 1 44 THR H 1 44 THR MG . . 4.070 3.060 2.542 3.856 . 0 0 "[ . 1 . 2]" 1
577 1 44 THR H 1 52 VAL HA . . 5.100 4.458 4.077 5.000 . 0 0 "[ . 1 . 2]" 1
578 1 44 THR H 1 52 VAL QG . . 5.200 3.107 2.471 3.869 . 0 0 "[ . 1 . 2]" 1
579 1 44 THR H 1 53 ASP H . . 3.500 2.532 2.205 2.959 . 0 0 "[ . 1 . 2]" 1
580 1 44 THR H 1 53 ASP QB . . 4.510 2.253 1.919 3.125 . 0 0 "[ . 1 . 2]" 1
581 1 44 THR H 1 54 CYS HA . . 4.400 4.395 3.953 4.634 0.234 5 0 "[ . 1 . 2]" 1
582 1 44 THR H 1 55 ASP H . . 5.460 5.915 5.531 6.088 0.628 16 10 "[ * ** * 1- **+* *2]" 1
583 1 44 THR HA 1 44 THR MG . . 3.400 2.229 2.100 2.414 . 0 0 "[ . 1 . 2]" 1
584 1 44 THR HA 1 45 VAL H . . 2.770 2.249 2.142 2.669 . 0 0 "[ . 1 . 2]" 1
585 1 44 THR HA 1 45 VAL HB . . 4.620 4.601 4.491 4.630 0.010 16 0 "[ . 1 . 2]" 1
586 1 44 THR HA 1 45 VAL QG . . 5.500 3.506 3.199 3.656 . 0 0 "[ . 1 . 2]" 1
587 1 44 THR HA 1 52 VAL QG . . 5.500 3.978 3.469 5.130 . 0 0 "[ . 1 . 2]" 1
588 1 44 THR HB 1 45 VAL H . . 3.460 2.989 1.991 3.471 0.011 20 0 "[ . 1 . 2]" 1
589 1 44 THR HB 1 53 ASP H . . 5.500 4.647 3.841 5.071 . 0 0 "[ . 1 . 2]" 1
590 1 44 THR HB 1 53 ASP QB . . 4.700 3.938 3.017 4.183 . 0 0 "[ . 1 . 2]" 1
591 1 44 THR MG 1 45 VAL H . . 4.170 3.734 3.193 4.025 . 0 0 "[ . 1 . 2]" 1
592 1 44 THR MG 1 53 ASP QB . . 3.850 3.512 2.671 3.914 0.064 4 0 "[ . 1 . 2]" 1
593 1 45 VAL H 1 45 VAL HB . . 3.410 2.590 2.486 2.918 . 0 0 "[ . 1 . 2]" 1
594 1 45 VAL HA 1 46 ASP H . . 2.720 2.200 2.146 2.232 . 0 0 "[ . 1 . 2]" 1
595 1 45 VAL HA 1 46 ASP HB2 . . 4.710 4.082 4.039 4.233 . 0 0 "[ . 1 . 2]" 1
596 1 45 VAL HA 1 52 VAL HA . . 5.500 2.284 1.998 2.708 . 0 0 "[ . 1 . 2]" 1
597 1 45 VAL HA 1 52 VAL QG . . 4.510 2.532 1.966 3.846 . 0 0 "[ . 1 . 2]" 1
598 1 45 VAL HA 1 53 ASP H . . 4.450 3.692 3.168 4.200 . 0 0 "[ . 1 . 2]" 1
599 1 45 VAL HB 1 52 VAL HA . . 5.500 5.241 4.965 5.567 0.067 10 0 "[ . 1 . 2]" 1
600 1 45 VAL HB 1 52 VAL QG . . 4.620 4.243 3.764 5.551 0.931 10 2 "[ . + . - 2]" 1
601 1 45 VAL QG 1 46 ASP H . . 3.740 2.224 1.972 2.592 . 0 0 "[ . 1 . 2]" 1
602 1 45 VAL QG 1 46 ASP HA . . 5.370 3.643 3.506 3.935 . 0 0 "[ . 1 . 2]" 1
603 1 45 VAL QG 1 47 THR H . . 4.820 3.688 2.980 4.303 . 0 0 "[ . 1 . 2]" 1
604 1 45 VAL QG 1 47 THR HB . . 4.610 3.949 3.498 4.597 . 0 0 "[ . 1 . 2]" 1
605 1 45 VAL QG 1 50 ASN HA . . 4.240 4.052 3.557 4.645 0.405 11 0 "[ . 1 . 2]" 1
606 1 45 VAL QG 1 51 ALA H . . 5.170 3.548 3.117 4.010 . 0 0 "[ . 1 . 2]" 1
607 1 45 VAL QG 1 51 ALA MB . . 3.910 4.804 4.394 5.109 1.199 12 19 "[*******-***+***** **]" 1
608 1 45 VAL QG 1 52 VAL HA . . 4.590 3.215 2.855 3.483 . 0 0 "[ . 1 . 2]" 1
609 1 45 VAL QG 1 52 VAL HB . . 5.500 2.896 2.423 3.566 . 0 0 "[ . 1 . 2]" 1
610 1 45 VAL QG 1 52 VAL QG . . 3.750 2.047 1.820 3.010 . 0 0 "[ . 1 . 2]" 1
611 1 45 VAL MG1 1 46 ASP H . . 4.050 2.238 1.978 2.621 . 0 0 "[ . 1 . 2]" 1
612 1 45 VAL MG1 1 47 THR H . . 5.120 3.720 2.992 4.359 . 0 0 "[ . 1 . 2]" 1
613 1 45 VAL MG1 1 51 ALA H . . 5.460 3.593 3.146 4.078 . 0 0 "[ . 1 . 2]" 1
614 1 45 VAL MG1 1 52 VAL H . . 5.500 4.870 4.399 5.491 . 0 0 "[ . 1 . 2]" 1
615 1 45 VAL MG1 1 53 ASP H . . 5.500 5.368 4.936 5.715 0.215 17 0 "[ . 1 . 2]" 1
616 1 46 ASP H 1 46 ASP HB2 . . 3.360 2.439 2.232 2.610 . 0 0 "[ . 1 . 2]" 1
617 1 46 ASP H 1 46 ASP HB3 . . 3.540 3.305 2.877 3.423 . 0 0 "[ . 1 . 2]" 1
618 1 46 ASP H 1 47 THR H . . 4.760 4.173 3.764 4.442 . 0 0 "[ . 1 . 2]" 1
619 1 46 ASP H 1 49 ASN H . . 5.500 5.473 5.302 5.546 0.046 16 0 "[ . 1 . 2]" 1
620 1 46 ASP H 1 50 ASN HA . . 4.980 4.428 3.844 4.927 . 0 0 "[ . 1 . 2]" 1
621 1 46 ASP H 1 51 ALA H . . 3.820 2.812 2.318 3.155 . 0 0 "[ . 1 . 2]" 1
622 1 46 ASP H 1 51 ALA MB . . 4.300 4.064 3.418 4.296 . 0 0 "[ . 1 . 2]" 1
623 1 46 ASP H 1 52 VAL HA . . 4.510 3.239 2.722 3.747 . 0 0 "[ . 1 . 2]" 1
624 1 46 ASP H 1 52 VAL QG . . 5.500 4.124 3.675 4.838 . 0 0 "[ . 1 . 2]" 1
625 1 46 ASP HA 1 47 THR H . . 2.830 2.169 2.138 2.265 . 0 0 "[ . 1 . 2]" 1
626 1 46 ASP HA 1 48 TYR H . . 4.500 3.562 3.190 4.045 . 0 0 "[ . 1 . 2]" 1
627 1 46 ASP HA 1 51 ALA H . . 5.330 4.755 4.083 5.165 . 0 0 "[ . 1 . 2]" 1
628 1 46 ASP HB2 1 47 THR H . . 4.880 4.570 4.406 4.664 . 0 0 "[ . 1 . 2]" 1
629 1 46 ASP HB2 1 49 ASN H . . 4.980 4.608 4.141 4.912 . 0 0 "[ . 1 . 2]" 1
630 1 46 ASP HB2 1 49 ASN HD21 . . 5.500 4.023 2.630 5.503 0.003 9 0 "[ . 1 . 2]" 1
631 1 46 ASP HB2 1 51 ALA H . . 3.700 3.339 2.156 3.561 . 0 0 "[ . 1 . 2]" 1
632 1 46 ASP HB2 1 51 ALA MB . . 3.570 3.069 2.095 3.445 . 0 0 "[ . 1 . 2]" 1
633 1 46 ASP HB3 1 47 THR H . . 4.530 3.860 3.452 4.152 . 0 0 "[ . 1 . 2]" 1
634 1 46 ASP HB3 1 50 ASN H . . 4.200 3.835 2.744 4.410 0.210 15 0 "[ . 1 . 2]" 1
635 1 46 ASP HB3 1 51 ALA H . . 4.820 3.294 1.993 3.749 . 0 0 "[ . 1 . 2]" 1
636 1 46 ASP HB3 1 51 ALA MB . . 4.270 3.350 2.076 3.987 . 0 0 "[ . 1 . 2]" 1
637 1 47 THR H 1 47 THR MG . . 3.350 2.013 1.914 2.129 . 0 0 "[ . 1 . 2]" 1
638 1 47 THR H 1 48 TYR H . . 3.640 2.737 2.266 3.244 . 0 0 "[ . 1 . 2]" 1
639 1 47 THR H 1 48 TYR HB2 . . 5.500 4.361 4.059 4.708 . 0 0 "[ . 1 . 2]" 1
640 1 47 THR H 1 49 ASN H . . 5.500 4.636 3.865 5.062 . 0 0 "[ . 1 . 2]" 1
641 1 47 THR H 1 50 ASN H . . 5.340 4.948 4.271 5.507 0.167 3 0 "[ . 1 . 2]" 1
642 1 47 THR HA 1 47 THR MG . . 3.380 3.044 2.367 3.207 . 0 0 "[ . 1 . 2]" 1
643 1 47 THR MG 1 48 TYR H . . 5.200 3.405 2.350 4.025 . 0 0 "[ . 1 . 2]" 1
644 1 48 TYR H 1 48 TYR HB2 . . 3.410 2.629 2.149 2.971 . 0 0 "[ . 1 . 2]" 1
645 1 48 TYR H 1 48 TYR HB3 . . 3.330 2.771 2.623 3.010 . 0 0 "[ . 1 . 2]" 1
646 1 48 TYR H 1 48 TYR QD . . 4.490 4.226 3.766 4.364 . 0 0 "[ . 1 . 2]" 1
647 1 48 TYR H 1 49 ASN H . . 3.320 2.287 1.891 2.871 . 0 0 "[ . 1 . 2]" 1
648 1 48 TYR H 1 50 ASN H . . 4.160 3.301 2.785 3.907 . 0 0 "[ . 1 . 2]" 1
649 1 48 TYR HA 1 48 TYR QD . . 3.560 2.688 2.050 3.077 . 0 0 "[ . 1 . 2]" 1
650 1 48 TYR HB2 1 49 ASN H . . 4.000 3.809 3.477 3.997 . 0 0 "[ . 1 . 2]" 1
651 1 48 TYR HB3 1 49 ASN H . . 3.670 2.758 2.443 3.056 . 0 0 "[ . 1 . 2]" 1
652 1 48 TYR QD 1 49 ASN H . . 4.510 4.083 3.372 4.449 . 0 0 "[ . 1 . 2]" 1
653 1 48 TYR QD 1 49 ASN QB . . 4.640 3.256 2.069 4.108 . 0 0 "[ . 1 . 2]" 1
654 1 48 TYR QE 1 49 ASN QB . . 5.500 4.740 3.536 5.313 . 0 0 "[ . 1 . 2]" 1
655 1 49 ASN H 1 49 ASN HD21 . . 5.500 3.785 3.344 5.518 0.018 9 0 "[ . 1 . 2]" 1
656 1 49 ASN H 1 49 ASN HD22 . . 4.340 2.954 1.903 4.099 . 0 0 "[ . 1 . 2]" 1
657 1 49 ASN H 1 50 ASN H . . 3.070 1.993 1.886 2.175 . 0 0 "[ . 1 . 2]" 1
658 1 49 ASN H 1 50 ASN HA . . 4.330 4.034 3.933 4.131 . 0 0 "[ . 1 . 2]" 1
659 1 49 ASN H 1 51 ALA MB . . 5.320 4.322 3.787 5.053 . 0 0 "[ . 1 . 2]" 1
660 1 49 ASN HA 1 49 ASN HD22 . . 5.500 3.933 3.711 4.151 . 0 0 "[ . 1 . 2]" 1
661 1 49 ASN QB 1 49 ASN HD22 . . 3.630 2.370 2.228 2.531 . 0 0 "[ . 1 . 2]" 1
662 1 49 ASN QB 1 50 ASN H . . 4.750 3.904 3.195 4.021 . 0 0 "[ . 1 . 2]" 1
663 1 49 ASN QB 1 51 ALA MB . . 4.800 4.035 3.640 4.395 . 0 0 "[ . 1 . 2]" 1
664 1 49 ASN HD21 1 50 ASN H . . 5.500 4.784 4.454 5.217 . 0 0 "[ . 1 . 2]" 1
665 1 49 ASN HD21 1 51 ALA MB . . 4.530 2.388 1.845 2.642 . 0 0 "[ . 1 . 2]" 1
666 1 49 ASN HD22 1 50 ASN H . . 4.300 3.851 3.501 4.239 . 0 0 "[ . 1 . 2]" 1
667 1 49 ASN HD22 1 51 ALA H . . 5.060 4.250 3.593 4.991 . 0 0 "[ . 1 . 2]" 1
668 1 49 ASN HD22 1 51 ALA MB . . 5.010 2.727 1.926 3.735 . 0 0 "[ . 1 . 2]" 1
669 1 50 ASN H 1 50 ASN HA . . 2.800 2.278 2.274 2.280 . 0 0 "[ . 1 . 2]" 1
670 1 50 ASN H 1 50 ASN HB3 . . 4.130 3.875 3.559 4.087 . 0 0 "[ . 1 . 2]" 1
671 1 50 ASN H 1 51 ALA MB . . 5.180 4.351 4.263 4.441 . 0 0 "[ . 1 . 2]" 1
672 1 50 ASN HA 1 50 ASN HD22 . . 5.500 3.867 2.679 4.542 . 0 0 "[ . 1 . 2]" 1
673 1 50 ASN HA 1 51 ALA H . . 2.570 2.300 2.206 2.435 . 0 0 "[ . 1 . 2]" 1
674 1 50 ASN HA 1 52 VAL QG . . 5.410 6.039 5.591 6.514 1.104 9 12 "[** *. **+1* **.* -*]" 1
675 1 50 ASN HB2 1 51 ALA H . . 5.290 4.569 4.348 4.664 . 0 0 "[ . 1 . 2]" 1
676 1 50 ASN HB3 1 51 ALA H . . 5.360 4.229 3.937 4.461 . 0 0 "[ . 1 . 2]" 1
677 1 51 ALA H 1 51 ALA MB . . 3.180 2.756 2.375 2.915 . 0 0 "[ . 1 . 2]" 1
678 1 51 ALA H 1 52 VAL H . . 4.700 4.022 3.525 4.374 . 0 0 "[ . 1 . 2]" 1
679 1 51 ALA H 1 52 VAL QG . . 5.180 4.928 4.750 5.151 . 0 0 "[ . 1 . 2]" 1
680 1 51 ALA HA 1 52 VAL H . . 2.660 2.236 2.143 2.668 0.008 8 0 "[ . 1 . 2]" 1
681 1 51 ALA MB 1 52 VAL H . . 3.880 3.083 2.046 3.556 . 0 0 "[ . 1 . 2]" 1
682 1 52 VAL H 1 52 VAL HB . . 3.300 2.796 2.338 3.227 . 0 0 "[ . 1 . 2]" 1
683 1 52 VAL H 1 52 VAL QG . . 3.720 2.220 1.914 2.478 . 0 0 "[ . 1 . 2]" 1
684 1 52 VAL H 1 53 ASP H . . 4.380 4.511 4.256 4.614 0.234 13 0 "[ . 1 . 2]" 1
685 1 52 VAL H 1 54 CYS H . . 5.500 5.029 4.554 5.239 . 0 0 "[ . 1 . 2]" 1
686 1 52 VAL HA 1 53 ASP H . . 2.750 2.273 2.188 2.384 . 0 0 "[ . 1 . 2]" 1
687 1 52 VAL HA 1 53 ASP QB . . 4.730 4.138 3.923 4.286 . 0 0 "[ . 1 . 2]" 1
688 1 52 VAL HB 1 53 ASP H . . 4.730 4.049 3.928 4.209 . 0 0 "[ . 1 . 2]" 1
689 1 52 VAL QG 1 53 ASP H . . 3.630 2.088 1.868 2.389 . 0 0 "[ . 1 . 2]" 1
690 1 52 VAL QG 1 54 CYS H . . 4.710 2.097 1.878 2.903 . 0 0 "[ . 1 . 2]" 1
691 1 52 VAL QG 1 54 CYS QB . . 5.500 2.821 2.170 3.590 . 0 0 "[ . 1 . 2]" 1
692 1 53 ASP H 1 53 ASP QB . . 3.700 2.341 2.202 2.494 . 0 0 "[ . 1 . 2]" 1
693 1 53 ASP HA 1 54 CYS H . . 2.810 2.565 2.268 2.771 . 0 0 "[ . 1 . 2]" 1
694 1 53 ASP QB 1 54 CYS H . . 4.710 3.925 3.887 4.031 . 0 0 "[ . 1 . 2]" 1
695 1 54 CYS H 1 54 CYS QB . . 3.440 2.437 2.166 2.602 . 0 0 "[ . 1 . 2]" 1
696 1 54 CYS H 1 55 ASP H . . 4.760 4.618 4.563 4.646 . 0 0 "[ . 1 . 2]" 1
697 1 54 CYS HA 1 55 ASP H . . 3.000 2.252 2.158 2.442 . 0 0 "[ . 1 . 2]" 1
698 1 54 CYS QB 1 55 ASP H . . 3.580 2.817 2.310 3.178 . 0 0 "[ . 1 . 2]" 1
699 1 55 ASP H 1 55 ASP QB . . 3.050 2.140 2.047 2.250 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, June 11, 2024 6:36:29 PM GMT (wattos1)