NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
622090 |
5tn2   |
30194 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5tn2
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 669
_Distance_constraint_stats_list.Viol_count 1883
_Distance_constraint_stats_list.Viol_total 100596.203
_Distance_constraint_stats_list.Viol_max 21.112
_Distance_constraint_stats_list.Viol_rms 3.6418
_Distance_constraint_stats_list.Viol_average_all_restraints 1.5037
_Distance_constraint_stats_list.Viol_average_violations_only 5.3423
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 HIS 0.077 0.037 2 0 "[ . 1]"
1 4 MET 0.077 0.037 2 0 "[ . 1]"
1 5 GLU 0.471 0.156 2 0 "[ . 1]"
1 6 TYR 1251.387 15.204 7 10 [*-****+***]
1 7 ASP 143.404 16.281 9 10 [*****-**+*]
1 8 GLY 0.023 0.023 10 0 "[ . 1]"
1 9 GLN 0.539 0.050 6 0 "[ . 1]"
1 10 LEU 480.057 6.778 7 10 [*****-+***]
1 11 ASP 248.011 9.927 7 10 [-*****+***]
1 12 SER 0.803 0.176 7 0 "[ . 1]"
1 13 GLU 1.470 0.089 4 0 "[ . 1]"
1 14 TRP 644.196 13.009 6 10 [**-**+****]
1 15 GLU 1.471 0.067 9 0 "[ . 1]"
1 16 LYS 1.978 0.070 4 0 "[ . 1]"
1 17 LEU 797.622 11.020 7 10 [****-*+***]
1 18 VAL 146.796 4.295 3 10 [**+*******]
1 19 ARG 560.595 8.521 7 10 [******+**-]
1 20 ASP 324.951 9.317 2 10 [*+***-****]
1 21 ALA 373.314 9.128 2 10 [*+*-******]
1 22 MET 1409.864 13.009 6 10 [*****+****]
1 23 THR 653.184 16.281 9 10 [*******-+*]
1 24 SER 1185.917 17.588 5 10 [-***+*****]
1 25 GLY 0.105 0.030 9 0 "[ . 1]"
1 26 VAL 1757.031 15.254 5 10 [***-+*****]
1 27 SER 236.887 9.171 2 10 [*+*******-]
1 28 LYS 0.467 0.048 5 0 "[ . 1]"
1 29 LYS 0.980 0.048 5 0 "[ . 1]"
1 30 GLN 261.346 6.589 2 10 [*+**-*****]
1 31 PHE 252.002 5.445 5 10 [**-*+*****]
1 32 ARG 613.695 11.020 7 10 [**-***+***]
1 33 GLU 567.902 17.976 10 10 [*-*******+]
1 34 PHE 18.778 1.434 3 10 [**+*-*****]
1 35 LEU 1081.100 9.317 2 10 [*+-*******]
1 36 ASP 177.369 18.161 10 10 [******-**+]
1 37 TYR 727.669 16.931 10 10 [******-**+]
1 38 GLN 1037.413 12.368 5 10 [****+-****]
1 39 LYS 1582.096 17.588 5 10 [****+-****]
1 40 TRP 376.647 21.112 10 10 [******-**+]
1 41 ARG 360.134 16.438 6 10 [****-+****]
1 42 LYS 348.564 15.254 5 10 [*-**+*****]
1 43 SER 96.533 10.200 9 10 [******-*+*]
1 44 GLN 1.080 0.080 9 0 "[ . 1]"
1 45 LYS 170.186 17.585 8 10 [-******+**]
1 46 GLU 0.121 0.025 6 0 "[ . 1]"
1 47 GLU 0.000 0.000 . 0 "[ . 1]"
2 29 LYS 72.074 5.483 2 10 [*+**-*****]
2 33 GLU 232.657 7.716 6 10 [*-***+****]
2 37 TYR 457.155 13.138 10 10 [******-**+]
2 40 TRP 1296.282 21.112 10 10 [******-**+]
2 41 ARG 115.381 6.138 9 10 [*******-+*]
2 42 LYS 49.489 5.364 10 10 [*******-*+]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 HIS HA 1 4 MET QB . . 4.790 4.464 3.872 4.803 0.013 1 0 "[ . 1]" 1
2 1 3 HIS HA 1 4 MET ME . . 4.630 4.453 3.600 4.667 0.037 2 0 "[ . 1]" 1
3 1 5 GLU H 1 5 GLU HB2 . . 3.130 2.466 2.382 2.594 . 0 0 "[ . 1]" 1
4 1 5 GLU H 1 5 GLU HG2 . . 4.710 3.161 2.255 4.567 . 0 0 "[ . 1]" 1
5 1 5 GLU H 1 5 GLU QG . . 4.060 2.686 2.236 4.032 . 0 0 "[ . 1]" 1
6 1 5 GLU H 1 5 GLU HG3 . . 4.710 3.353 2.277 4.488 . 0 0 "[ . 1]" 1
7 1 5 GLU HA 1 5 GLU HG2 . . 4.060 3.136 2.298 3.834 . 0 0 "[ . 1]" 1
8 1 5 GLU HA 1 5 GLU QG . . 3.200 2.730 2.253 3.207 0.007 1 0 "[ . 1]" 1
9 1 5 GLU HA 1 5 GLU HG3 . . 4.060 3.332 2.462 3.820 . 0 0 "[ . 1]" 1
10 1 5 GLU HA 1 6 TYR H . . 3.320 3.206 2.503 3.476 0.156 2 0 "[ . 1]" 1
11 1 5 GLU HB2 1 6 TYR QD . . 5.500 5.214 4.783 5.522 0.022 9 0 "[ . 1]" 1
12 1 5 GLU HB3 1 6 TYR QB . . 5.340 3.864 2.152 4.847 . 0 0 "[ . 1]" 1
13 1 5 GLU HB3 1 6 TYR QD . . 5.500 4.925 3.227 5.502 0.002 8 0 "[ . 1]" 1
14 1 6 TYR H 1 6 TYR QB . . 3.400 2.731 2.649 2.875 . 0 0 "[ . 1]" 1
15 1 6 TYR H 1 6 TYR QD . . 4.990 4.400 3.872 4.524 . 0 0 "[ . 1]" 1
16 1 6 TYR H 1 7 ASP QB . . 5.500 4.676 4.326 5.517 0.017 4 0 "[ . 1]" 1
17 1 6 TYR HA 1 6 TYR QD . . 3.780 2.723 2.218 3.140 . 0 0 "[ . 1]" 1
18 1 6 TYR HA 1 6 TYR QE . . 5.330 4.616 4.445 4.806 . 0 0 "[ . 1]" 1
19 1 6 TYR HA 1 7 ASP H . . 3.210 2.369 2.159 3.363 0.153 9 0 "[ . 1]" 1
20 1 6 TYR HA 1 9 GLN QB . . 5.330 5.223 4.388 5.376 0.046 4 0 "[ . 1]" 1
21 1 6 TYR QB 1 7 ASP H . . 4.090 3.371 2.851 3.669 . 0 0 "[ . 1]" 1
22 1 6 TYR QB 1 7 ASP HA . . 4.720 4.445 4.153 4.731 0.011 9 0 "[ . 1]" 1
23 1 6 TYR QB 1 22 MET QB . . 5.340 17.108 16.121 17.522 12.182 7 10 [******+**-] 1
24 1 6 TYR QB 1 23 THR H . . 5.340 20.039 19.184 20.544 15.204 7 10 [******+**-] 1
25 1 6 TYR QB 1 23 THR MG . . 3.970 17.663 16.704 18.236 14.266 7 10 [******+**-] 1
26 1 6 TYR QD 1 8 GLY H . . 4.640 2.507 2.143 4.663 0.023 10 0 "[ . 1]" 1
27 1 6 TYR QD 1 9 GLN QB . . 5.340 5.225 4.391 5.382 0.042 2 0 "[ . 1]" 1
28 1 6 TYR QD 1 10 LEU QD . . 5.500 3.615 3.123 3.885 . 0 0 "[ . 1]" 1
29 1 6 TYR QD 1 19 ARG QB . . 5.290 13.050 12.380 13.811 8.521 7 10 [*****-+***] 1
30 1 6 TYR QD 1 22 MET ME . . 5.500 15.070 14.559 15.271 9.771 7 10 [******+**-] 1
31 1 6 TYR QD 1 23 THR MG . . 4.490 16.422 16.078 16.881 12.391 7 10 [*****-+***] 1
32 1 6 TYR QE 1 10 LEU QB . . 5.360 3.778 3.578 4.247 . 0 0 "[ . 1]" 1
33 1 6 TYR QE 1 10 LEU QD . . 3.270 2.009 1.972 2.060 . 0 0 "[ . 1]" 1
34 1 6 TYR QE 1 10 LEU HG . . 5.500 4.687 4.615 4.761 . 0 0 "[ . 1]" 1
35 1 6 TYR QE 1 18 VAL QG . . 4.500 7.382 7.323 7.539 3.039 7 10 [*-****+***] 1
36 1 6 TYR QE 1 19 ARG H . . 5.500 11.648 11.495 11.833 6.333 7 10 [*-****+***] 1
37 1 6 TYR QE 1 19 ARG QG . . 5.220 11.927 10.603 13.061 7.841 6 10 [****-+****] 1
38 1 6 TYR QE 1 22 MET H . . 5.500 15.152 15.038 15.271 9.771 7 10 [*-****+***] 1
39 1 6 TYR QE 1 22 MET QB . . 3.560 14.335 14.079 14.568 11.008 10 10 [****-****+] 1
40 1 6 TYR QE 1 22 MET ME . . 4.830 13.688 13.602 13.896 9.066 10 10 [-********+] 1
41 1 6 TYR QE 1 23 THR MG . . 4.530 15.129 14.898 15.382 10.852 1 10 [+******-**] 1
42 1 7 ASP H 1 7 ASP QB . . 3.690 2.701 2.333 3.021 . 0 0 "[ . 1]" 1
43 1 7 ASP H 1 8 GLY H . . 3.480 2.784 2.337 3.291 . 0 0 "[ . 1]" 1
44 1 7 ASP H 1 23 THR MG . . 5.500 19.822 18.784 21.781 16.281 9 10 [*****-**+*] 1
45 1 7 ASP HA 1 8 GLY H . . 3.090 2.754 2.570 3.043 . 0 0 "[ . 1]" 1
46 1 7 ASP QB 1 8 GLY H . . 4.330 4.000 3.817 4.059 . 0 0 "[ . 1]" 1
47 1 7 ASP QB 1 9 GLN H . . 4.760 3.968 3.683 4.297 . 0 0 "[ . 1]" 1
48 1 8 GLY H 1 9 GLN H . . 3.620 2.720 2.480 2.842 . 0 0 "[ . 1]" 1
49 1 8 GLY H 1 9 GLN QB . . 5.340 4.546 4.305 4.717 . 0 0 "[ . 1]" 1
50 1 9 GLN H 1 9 GLN HB2 . . 3.280 3.155 2.576 3.330 0.050 6 0 "[ . 1]" 1
51 1 9 GLN H 1 9 GLN QB . . 2.860 2.491 2.161 2.603 . 0 0 "[ . 1]" 1
52 1 9 GLN H 1 9 GLN HB3 . . 3.280 2.614 2.306 2.727 . 0 0 "[ . 1]" 1
53 1 9 GLN H 1 9 GLN QG . . 4.240 4.123 4.028 4.242 0.002 5 0 "[ . 1]" 1
54 1 9 GLN H 1 10 LEU H . . 4.630 4.340 4.219 4.648 0.018 10 0 "[ . 1]" 1
55 1 9 GLN HA 1 9 GLN QE . . 5.240 3.702 3.354 4.369 . 0 0 "[ . 1]" 1
56 1 9 GLN HA 1 9 GLN QG . . 3.270 2.964 2.508 3.232 . 0 0 "[ . 1]" 1
57 1 9 GLN HA 1 10 LEU H . . 2.600 2.234 2.169 2.388 . 0 0 "[ . 1]" 1
58 1 9 GLN QB 1 10 LEU H . . 4.140 3.788 3.442 3.921 . 0 0 "[ . 1]" 1
59 1 9 GLN QE 1 10 LEU H . . 5.340 2.934 2.058 4.019 . 0 0 "[ . 1]" 1
60 1 9 GLN HE21 1 10 LEU HA . . 5.500 4.378 3.658 5.544 0.044 10 0 "[ . 1]" 1
61 1 9 GLN HE22 1 10 LEU HA . . 5.500 5.305 4.237 5.517 0.017 3 0 "[ . 1]" 1
62 1 9 GLN QG 1 10 LEU H . . 3.840 3.049 2.452 3.386 . 0 0 "[ . 1]" 1
63 1 9 GLN QG 1 10 LEU HA . . 4.670 4.298 3.739 4.490 . 0 0 "[ . 1]" 1
64 1 9 GLN QG 1 10 LEU QB . . 4.900 4.334 4.133 4.516 . 0 0 "[ . 1]" 1
65 1 10 LEU H 1 11 ASP H . . 4.560 4.522 4.412 4.573 0.013 7 0 "[ . 1]" 1
66 1 10 LEU H 1 19 ARG QD . . 4.770 10.650 9.761 11.206 6.436 6 10 [****-+****] 1
67 1 10 LEU HA 1 10 LEU QD . . 2.970 2.012 1.961 2.079 . 0 0 "[ . 1]" 1
68 1 10 LEU HA 1 10 LEU HG . . 4.240 3.697 3.672 3.727 . 0 0 "[ . 1]" 1
69 1 10 LEU HA 1 11 ASP QB . . 4.910 3.857 3.811 3.978 . 0 0 "[ . 1]" 1
70 1 10 LEU HA 1 14 TRP HD1 . . 5.500 3.915 3.734 4.270 . 0 0 "[ . 1]" 1
71 1 10 LEU HA 1 18 VAL QG . . 5.500 6.973 6.839 7.270 1.770 7 10 [-*****+***] 1
72 1 10 LEU HA 1 19 ARG QD . . 4.750 11.080 10.214 11.528 6.778 7 10 [****-*+***] 1
73 1 10 LEU QB 1 14 TRP QB . . 5.340 4.774 4.755 4.788 . 0 0 "[ . 1]" 1
74 1 10 LEU QB 1 14 TRP HD1 . . 5.500 4.918 4.861 4.948 . 0 0 "[ . 1]" 1
75 1 10 LEU QB 1 15 GLU HA . . 5.500 4.674 4.513 4.877 . 0 0 "[ . 1]" 1
76 1 10 LEU QB 1 15 GLU QB . . 4.010 3.363 3.117 3.511 . 0 0 "[ . 1]" 1
77 1 10 LEU QB 1 18 VAL QG . . 4.680 5.081 4.848 5.413 0.733 7 1 "[ . + 1]" 1
78 1 10 LEU QB 1 19 ARG QD . . 3.440 8.008 7.194 8.424 4.984 6 10 [****-+****] 1
79 1 10 LEU QB 1 19 ARG QG . . 3.430 8.177 6.771 9.268 5.838 3 10 [**+******-] 1
80 1 10 LEU QD 1 11 ASP H . . 3.640 2.254 2.025 2.347 . 0 0 "[ . 1]" 1
81 1 10 LEU QD 1 11 ASP HA . . 5.440 3.876 3.777 4.012 . 0 0 "[ . 1]" 1
82 1 10 LEU QD 1 12 SER HA . . 5.440 3.740 3.196 3.940 . 0 0 "[ . 1]" 1
83 1 10 LEU QD 1 12 SER QB . . 5.440 4.980 4.633 5.044 . 0 0 "[ . 1]" 1
84 1 10 LEU QD 1 14 TRP HA . . 4.580 3.872 3.840 3.909 . 0 0 "[ . 1]" 1
85 1 10 LEU QD 1 14 TRP QB . . 3.550 1.924 1.914 1.930 . 0 0 "[ . 1]" 1
86 1 10 LEU QD 1 14 TRP HD1 . . 4.070 2.114 2.068 2.152 . 0 0 "[ . 1]" 1
87 1 10 LEU QD 1 15 GLU HA . . 3.370 2.692 2.574 2.959 . 0 0 "[ . 1]" 1
88 1 10 LEU QD 1 15 GLU QB . . 2.920 2.120 2.066 2.174 . 0 0 "[ . 1]" 1
89 1 10 LEU QD 1 15 GLU QG . . 4.130 3.914 3.880 3.956 . 0 0 "[ . 1]" 1
90 1 10 LEU QD 1 16 LYS H . . 4.550 4.245 4.231 4.259 . 0 0 "[ . 1]" 1
91 1 10 LEU QD 1 17 LEU QD . . 5.440 4.706 4.691 4.721 . 0 0 "[ . 1]" 1
92 1 10 LEU QD 1 18 VAL HA . . 4.440 6.475 6.375 6.696 2.256 7 10 [******+**-] 1
93 1 10 LEU QD 1 18 VAL QG . . 2.500 3.387 3.265 3.694 1.194 7 10 [*****-+***] 1
94 1 10 LEU QD 1 19 ARG HA . . 3.310 7.694 7.571 8.096 4.786 7 10 [*****-+***] 1
95 1 10 LEU QD 1 19 ARG QB . . 3.420 6.191 5.844 6.709 3.289 7 10 [*-****+***] 1
96 1 10 LEU QD 1 19 ARG QD . . 3.430 6.697 6.070 7.071 3.641 7 10 [****-*+***] 1
97 1 10 LEU QD 1 19 ARG QG . . 3.100 6.520 5.374 7.459 4.359 3 10 [**+******-] 1
98 1 10 LEU QD 1 20 ASP H . . 4.820 7.563 7.433 7.772 2.952 7 10 [*****-+***] 1
99 1 10 LEU QD 1 22 MET H . . 4.730 9.038 8.920 9.295 4.565 7 10 [*****-+***] 1
100 1 10 LEU HG 1 14 TRP QB . . 5.010 3.992 3.913 4.042 . 0 0 "[ . 1]" 1
101 1 10 LEU HG 1 14 TRP HD1 . . 4.850 4.860 4.775 4.893 0.043 6 0 "[ . 1]" 1
102 1 10 LEU HG 1 15 GLU H . . 5.160 4.619 4.425 4.703 . 0 0 "[ . 1]" 1
103 1 10 LEU HG 1 15 GLU HA . . 4.650 4.134 4.031 4.241 . 0 0 "[ . 1]" 1
104 1 10 LEU HG 1 18 VAL QG . . 3.510 4.266 4.144 4.540 1.030 7 10 [*****-+***] 1
105 1 11 ASP H 1 11 ASP QB . . 3.110 2.056 2.030 2.079 . 0 0 "[ . 1]" 1
106 1 11 ASP H 1 12 SER H . . 4.840 4.502 3.187 4.671 . 0 0 "[ . 1]" 1
107 1 11 ASP H 1 14 TRP H . . 5.370 4.493 4.405 4.622 . 0 0 "[ . 1]" 1
108 1 11 ASP HA 1 12 SER H . . 3.210 2.302 2.209 2.780 . 0 0 "[ . 1]" 1
109 1 11 ASP HA 1 12 SER HA . . 4.520 4.418 4.327 4.696 0.176 7 0 "[ . 1]" 1
110 1 11 ASP HA 1 14 TRP HD1 . . 5.500 4.793 4.715 4.921 . 0 0 "[ . 1]" 1
111 1 11 ASP QB 1 12 SER H . . 4.060 3.625 3.508 3.734 . 0 0 "[ . 1]" 1
112 1 11 ASP QB 1 12 SER QB . . 5.420 4.983 4.817 5.171 . 0 0 "[ . 1]" 1
113 1 11 ASP QB 1 13 GLU H . . 4.800 3.190 3.070 3.312 . 0 0 "[ . 1]" 1
114 1 11 ASP QB 1 14 TRP H . . 3.890 2.907 2.681 3.624 . 0 0 "[ . 1]" 1
115 1 11 ASP QB 1 14 TRP HD1 . . 3.800 2.505 2.370 2.823 . 0 0 "[ . 1]" 1
116 1 11 ASP QB 1 14 TRP HE1 . . 5.430 2.238 2.127 2.317 . 0 0 "[ . 1]" 1
117 1 11 ASP QB 1 14 TRP HZ2 . . 4.710 4.090 3.954 4.257 . 0 0 "[ . 1]" 1
118 1 11 ASP QB 1 22 MET QB . . 5.500 13.435 13.075 14.186 8.686 7 10 [****-*+***] 1
119 1 11 ASP QB 1 22 MET ME . . 4.290 13.693 13.500 14.217 9.927 7 10 [******+**-] 1
120 1 11 ASP QB 1 22 MET QG . . 5.060 12.504 12.268 13.146 8.086 7 10 [-*****+***] 1
121 1 12 SER H 1 12 SER QB . . 3.550 2.429 2.209 3.386 . 0 0 "[ . 1]" 1
122 1 12 SER H 1 13 GLU H . . 3.340 2.830 2.744 3.355 0.015 7 0 "[ . 1]" 1
123 1 12 SER H 1 13 GLU HB2 . . 5.100 4.779 4.655 5.149 0.049 7 0 "[ . 1]" 1
124 1 12 SER HA 1 12 SER QB . . 2.680 2.276 2.155 2.325 . 0 0 "[ . 1]" 1
125 1 12 SER HA 1 15 GLU H . . 3.620 3.347 3.256 3.433 . 0 0 "[ . 1]" 1
126 1 12 SER HA 1 15 GLU HA . . 5.290 5.047 4.979 5.200 . 0 0 "[ . 1]" 1
127 1 12 SER HA 1 15 GLU QB . . 3.210 2.078 1.998 2.256 . 0 0 "[ . 1]" 1
128 1 12 SER HA 1 15 GLU QG . . 4.060 3.675 3.163 4.035 . 0 0 "[ . 1]" 1
129 1 12 SER HA 1 16 LYS H . . 4.470 3.790 3.668 4.002 . 0 0 "[ . 1]" 1
130 1 12 SER HA 1 16 LYS HG2 . . 5.380 5.300 5.207 5.434 0.054 7 0 "[ . 1]" 1
131 1 12 SER HA 1 16 LYS HG3 . . 5.210 5.200 5.028 5.241 0.031 8 0 "[ . 1]" 1
132 1 12 SER QB 1 13 GLU H . . 3.780 2.966 2.863 3.528 . 0 0 "[ . 1]" 1
133 1 12 SER QB 1 13 GLU HB2 . . 5.500 5.001 4.859 5.512 0.012 2 0 "[ . 1]" 1
134 1 12 SER QB 1 13 GLU QG . . 5.340 3.758 3.559 4.470 . 0 0 "[ . 1]" 1
135 1 12 SER QB 1 15 GLU QB . . 3.840 3.848 3.689 3.907 0.067 9 0 "[ . 1]" 1
136 1 12 SER QB 1 15 GLU QG . . 5.340 4.734 4.328 5.079 . 0 0 "[ . 1]" 1
137 1 12 SER QB 1 16 LYS QB . . 5.500 4.866 4.239 5.169 . 0 0 "[ . 1]" 1
138 1 13 GLU H 1 13 GLU HB2 . . 3.020 2.301 2.229 2.330 . 0 0 "[ . 1]" 1
139 1 13 GLU H 1 13 GLU HB3 . . 3.650 3.529 3.500 3.545 . 0 0 "[ . 1]" 1
140 1 13 GLU H 1 13 GLU HG2 . . 3.560 2.369 2.303 2.555 . 0 0 "[ . 1]" 1
141 1 13 GLU H 1 13 GLU QG . . 2.910 2.335 2.275 2.502 . 0 0 "[ . 1]" 1
142 1 13 GLU H 1 13 GLU HG3 . . 3.560 3.552 3.385 3.587 0.027 6 0 "[ . 1]" 1
143 1 13 GLU H 1 14 TRP H . . 3.150 2.786 2.713 2.847 . 0 0 "[ . 1]" 1
144 1 13 GLU H 1 14 TRP HD1 . . 5.500 5.394 4.834 5.522 0.022 4 0 "[ . 1]" 1
145 1 13 GLU H 1 15 GLU H . . 4.310 4.187 3.954 4.269 . 0 0 "[ . 1]" 1
146 1 13 GLU H 1 16 LYS H . . 4.860 4.884 4.850 4.907 0.047 2 0 "[ . 1]" 1
147 1 13 GLU HA 1 13 GLU QG . . 2.810 2.816 2.712 2.836 0.026 9 0 "[ . 1]" 1
148 1 13 GLU HA 1 16 LYS H . . 4.040 4.059 3.978 4.093 0.053 2 0 "[ . 1]" 1
149 1 13 GLU HA 1 16 LYS HG2 . . 3.850 2.706 2.299 3.255 . 0 0 "[ . 1]" 1
150 1 13 GLU HA 1 16 LYS HG3 . . 4.450 2.827 2.667 2.905 . 0 0 "[ . 1]" 1
151 1 13 GLU HB2 1 14 TRP H . . 3.550 2.903 2.263 3.133 . 0 0 "[ . 1]" 1
152 1 13 GLU HB2 1 14 TRP HA . . 5.500 4.756 4.360 4.978 . 0 0 "[ . 1]" 1
153 1 13 GLU HB2 1 14 TRP HE3 . . 5.500 4.402 4.209 4.606 . 0 0 "[ . 1]" 1
154 1 13 GLU HB3 1 14 TRP H . . 3.680 3.694 3.265 3.769 0.089 4 0 "[ . 1]" 1
155 1 13 GLU HB3 1 14 TRP HA . . 5.500 4.459 4.250 4.528 . 0 0 "[ . 1]" 1
156 1 13 GLU HB3 1 17 LEU QD . . 5.500 3.860 3.082 4.101 . 0 0 "[ . 1]" 1
157 1 14 TRP H 1 14 TRP QB . . 3.070 2.867 2.724 2.909 . 0 0 "[ . 1]" 1
158 1 14 TRP H 1 15 GLU QB . . 4.230 3.787 3.701 4.221 . 0 0 "[ . 1]" 1
159 1 14 TRP H 1 16 LYS H . . 4.860 3.866 3.748 4.429 . 0 0 "[ . 1]" 1
160 1 14 TRP H 1 16 LYS HG3 . . 4.660 4.238 3.993 4.690 0.030 7 0 "[ . 1]" 1
161 1 14 TRP H 1 17 LEU H . . 5.030 4.741 4.706 4.779 . 0 0 "[ . 1]" 1
162 1 14 TRP H 1 17 LEU QD . . 4.660 4.273 3.633 4.412 . 0 0 "[ . 1]" 1
163 1 14 TRP H 1 17 LEU HG . . 5.500 5.234 5.119 5.488 . 0 0 "[ . 1]" 1
164 1 14 TRP HA 1 14 TRP HE3 . . 4.290 2.576 2.505 2.665 . 0 0 "[ . 1]" 1
165 1 14 TRP HA 1 16 LYS H . . 5.500 4.196 4.126 4.580 . 0 0 "[ . 1]" 1
166 1 14 TRP HA 1 16 LYS HG3 . . 5.500 3.975 3.677 4.813 . 0 0 "[ . 1]" 1
167 1 14 TRP HA 1 17 LEU H . . 4.140 3.104 3.025 3.281 . 0 0 "[ . 1]" 1
168 1 14 TRP HA 1 17 LEU HA . . 5.500 5.159 5.066 5.225 . 0 0 "[ . 1]" 1
169 1 14 TRP HA 1 17 LEU QB . . 4.860 2.623 2.177 2.757 . 0 0 "[ . 1]" 1
170 1 14 TRP HA 1 17 LEU QD . . 3.490 1.993 1.964 2.040 . 0 0 "[ . 1]" 1
171 1 14 TRP HA 1 17 LEU HG . . 4.470 3.135 2.966 3.778 . 0 0 "[ . 1]" 1
172 1 14 TRP HA 1 18 VAL H . . 4.170 4.117 3.956 4.181 0.011 10 0 "[ . 1]" 1
173 1 14 TRP HA 1 18 VAL QG . . 5.500 4.636 4.573 4.764 . 0 0 "[ . 1]" 1
174 1 14 TRP HA 1 22 MET ME . . 5.500 11.431 11.125 11.618 6.118 8 10 [******-+**] 1
175 1 14 TRP QB 1 14 TRP HD1 . . 3.300 2.445 2.431 2.457 . 0 0 "[ . 1]" 1
176 1 14 TRP QB 1 14 TRP HE1 . . 4.860 4.376 4.352 4.390 . 0 0 "[ . 1]" 1
177 1 14 TRP QB 1 15 GLU H . . 3.350 2.960 2.887 3.074 . 0 0 "[ . 1]" 1
178 1 14 TRP QB 1 15 GLU QB . . 5.500 4.366 4.279 4.444 . 0 0 "[ . 1]" 1
179 1 14 TRP QB 1 17 LEU H . . 5.500 4.594 4.537 4.826 . 0 0 "[ . 1]" 1
180 1 14 TRP QB 1 17 LEU QB . . 5.500 3.660 3.614 3.708 . 0 0 "[ . 1]" 1
181 1 14 TRP QB 1 18 VAL QG . . 3.640 4.140 4.061 4.240 0.600 7 4 "[ - * + *]" 1
182 1 14 TRP HD1 1 15 GLU H . . 4.860 4.469 4.369 4.547 . 0 0 "[ . 1]" 1
183 1 14 TRP HD1 1 18 VAL QG . . 3.890 6.404 6.335 6.566 2.676 7 10 [******+-**] 1
184 1 14 TRP HD1 1 22 MET HA . . 5.500 16.282 16.209 16.354 10.854 7 10 [****-*+***] 1
185 1 14 TRP HD1 1 22 MET QG . . 4.560 12.466 12.340 12.710 8.150 5 10 [****+**-**] 1
186 1 14 TRP HE1 1 22 MET HA . . 5.500 18.447 18.377 18.509 13.009 6 10 [*****+-***] 1
187 1 14 TRP HE1 1 22 MET ME . . 4.330 15.607 15.508 15.708 11.378 8 10 [******-+**] 1
188 1 14 TRP HE3 1 17 LEU QB . . 5.070 4.079 3.765 4.141 . 0 0 "[ . 1]" 1
189 1 14 TRP HE3 1 17 LEU QD . . 3.470 1.983 1.943 2.051 . 0 0 "[ . 1]" 1
190 1 14 TRP HE3 1 17 LEU HG . . 5.360 4.055 3.888 4.669 . 0 0 "[ . 1]" 1
191 1 14 TRP HZ2 1 22 MET ME . . 4.370 16.739 16.466 16.878 12.508 8 10 [******-+**] 1
192 1 14 TRP O 1 18 VAL H . . 2.000 2.052 2.025 2.064 0.064 1 0 "[ . 1]" 1
193 1 14 TRP O 1 18 VAL N . . 3.000 3.057 3.005 3.069 0.069 8 0 "[ . 1]" 1
194 1 15 GLU H 1 15 GLU QB . . 2.910 2.133 2.107 2.153 . 0 0 "[ . 1]" 1
195 1 15 GLU H 1 16 LYS H . . 3.290 2.751 2.708 2.775 . 0 0 "[ . 1]" 1
196 1 15 GLU H 1 16 LYS HG3 . . 4.680 4.227 4.082 4.298 . 0 0 "[ . 1]" 1
197 1 15 GLU H 1 17 LEU H . . 4.910 4.145 3.879 4.203 . 0 0 "[ . 1]" 1
198 1 15 GLU H 1 18 VAL QG . . 4.650 4.170 4.132 4.212 . 0 0 "[ . 1]" 1
199 1 15 GLU HA 1 15 GLU HG2 . . 3.870 3.528 3.342 3.906 0.036 9 0 "[ . 1]" 1
200 1 15 GLU HA 1 15 GLU HG3 . . 3.870 2.976 2.749 3.528 . 0 0 "[ . 1]" 1
201 1 15 GLU HA 1 18 VAL H . . 4.180 3.745 3.605 3.820 . 0 0 "[ . 1]" 1
202 1 15 GLU HA 1 18 VAL QG . . 3.490 2.187 2.079 2.253 . 0 0 "[ . 1]" 1
203 1 15 GLU QB 1 16 LYS H . . 2.670 2.505 2.454 2.542 . 0 0 "[ . 1]" 1
204 1 15 GLU QB 1 16 LYS HG3 . . 4.460 4.441 4.261 4.482 0.022 8 0 "[ . 1]" 1
205 1 15 GLU QG 1 16 LYS H . . 3.990 2.973 2.904 3.029 . 0 0 "[ . 1]" 1
206 1 15 GLU QG 1 16 LYS HA . . 3.800 3.177 3.016 3.359 . 0 0 "[ . 1]" 1
207 1 15 GLU QG 1 16 LYS HG2 . . 5.280 5.317 5.303 5.335 0.055 10 0 "[ . 1]" 1
208 1 15 GLU QG 1 16 LYS HG3 . . 4.930 4.888 4.791 4.950 0.020 9 0 "[ . 1]" 1
209 1 15 GLU QG 1 19 ARG QD . . 4.470 3.528 2.821 4.067 . 0 0 "[ . 1]" 1
210 1 15 GLU QG 1 19 ARG QG . . 5.340 3.970 2.510 5.343 0.003 9 0 "[ . 1]" 1
211 1 15 GLU O 1 19 ARG H . . 2.000 2.023 1.989 2.047 0.047 7 0 "[ . 1]" 1
212 1 15 GLU O 1 19 ARG N . . 3.000 3.028 3.002 3.061 0.061 7 0 "[ . 1]" 1
213 1 16 LYS H 1 17 LEU H . . 2.740 2.744 2.690 2.759 0.019 4 0 "[ . 1]" 1
214 1 16 LYS H 1 18 VAL H . . 5.500 4.489 4.434 4.563 . 0 0 "[ . 1]" 1
215 1 16 LYS H 1 19 ARG H . . 4.980 4.978 4.951 5.000 0.020 9 0 "[ . 1]" 1
216 1 16 LYS HA 1 16 LYS QD . . 3.840 3.848 3.794 3.884 0.044 4 0 "[ . 1]" 1
217 1 16 LYS HA 1 16 LYS HG3 . . 3.630 3.655 3.638 3.665 0.035 8 0 "[ . 1]" 1
218 1 16 LYS HA 1 19 ARG QB . . 4.120 2.700 2.422 2.841 . 0 0 "[ . 1]" 1
219 1 16 LYS QB 1 16 LYS QD . . 2.870 2.236 2.197 2.420 . 0 0 "[ . 1]" 1
220 1 16 LYS QB 1 16 LYS HG2 . . 2.770 2.120 2.109 2.140 . 0 0 "[ . 1]" 1
221 1 16 LYS QB 1 16 LYS HG3 . . 2.720 2.494 2.465 2.509 . 0 0 "[ . 1]" 1
222 1 16 LYS QB 1 17 LEU QD . . 5.500 4.554 4.434 4.895 . 0 0 "[ . 1]" 1
223 1 16 LYS QD 1 16 LYS HG3 . . 2.800 2.366 2.164 2.420 . 0 0 "[ . 1]" 1
224 1 16 LYS QD 1 17 LEU H . . 3.050 2.956 2.811 3.024 . 0 0 "[ . 1]" 1
225 1 16 LYS QD 1 17 LEU HA . . 3.740 3.069 2.995 3.266 . 0 0 "[ . 1]" 1
226 1 16 LYS QE 1 16 LYS HG2 . . 3.280 2.836 2.399 2.974 . 0 0 "[ . 1]" 1
227 1 16 LYS QE 1 16 LYS HG3 . . 3.290 2.566 2.405 3.360 0.070 4 0 "[ . 1]" 1
228 1 16 LYS QE 1 17 LEU HG . . 4.130 2.559 2.204 4.184 0.054 4 0 "[ . 1]" 1
229 1 16 LYS HG3 1 17 LEU H . . 3.420 2.471 2.285 2.741 . 0 0 "[ . 1]" 1
230 1 16 LYS HG3 1 17 LEU HG . . 4.190 3.049 2.861 3.798 . 0 0 "[ . 1]" 1
231 1 16 LYS O 1 20 ASP H . . 2.000 2.005 1.984 2.024 0.024 5 0 "[ . 1]" 1
232 1 16 LYS O 1 20 ASP N . . 3.000 2.942 2.915 2.974 . 0 0 "[ . 1]" 1
233 1 17 LEU H 1 18 VAL H . . 3.450 2.727 2.669 2.849 . 0 0 "[ . 1]" 1
234 1 17 LEU HA 1 17 LEU QD . . 3.140 2.186 2.153 2.238 . 0 0 "[ . 1]" 1
235 1 17 LEU HA 1 17 LEU HG . . 3.410 2.901 2.617 2.980 . 0 0 "[ . 1]" 1
236 1 17 LEU HA 1 20 ASP QB . . 3.640 2.413 2.253 2.527 . 0 0 "[ . 1]" 1
237 1 17 LEU HA 1 32 ARG QD . . 5.300 14.744 14.611 14.981 9.681 7 10 [**-***+***] 1
238 1 17 LEU HA 1 35 LEU QD . . 4.260 9.557 9.158 10.852 6.592 3 10 [**+****-**] 1
239 1 17 LEU QB 1 18 VAL H . . 3.840 2.415 2.344 2.528 . 0 0 "[ . 1]" 1
240 1 17 LEU QB 1 20 ASP QB . . 5.440 4.156 4.032 4.250 . 0 0 "[ . 1]" 1
241 1 17 LEU QB 1 21 ALA H . . 5.350 4.812 4.768 4.850 . 0 0 "[ . 1]" 1
242 1 17 LEU QB 1 31 PHE QB . . 4.790 7.500 7.163 7.807 3.017 7 10 [****-*+***] 1
243 1 17 LEU QB 1 31 PHE QD . . 4.330 6.047 5.688 6.347 2.017 7 10 [****-*+***] 1
244 1 17 LEU QD 1 18 VAL H . . 4.430 3.971 3.910 4.067 . 0 0 "[ . 1]" 1
245 1 17 LEU QD 1 20 ASP QB . . 4.310 3.657 3.380 3.829 . 0 0 "[ . 1]" 1
246 1 17 LEU QD 1 31 PHE HA . . 5.160 7.862 7.695 7.960 2.800 4 10 [***+****-*] 1
247 1 17 LEU QD 1 31 PHE QB . . 4.010 7.589 7.344 7.770 3.760 7 10 [****-*+***] 1
248 1 17 LEU QD 1 31 PHE QD . . 3.960 6.332 6.089 6.513 2.553 6 10 [****-+****] 1
249 1 17 LEU QD 1 32 ARG H . . 5.500 10.244 10.043 10.383 4.883 7 10 [**-***+***] 1
250 1 17 LEU QD 1 32 ARG HA . . 5.430 10.578 10.327 10.733 5.303 7 10 [**-***+***] 1
251 1 17 LEU QD 1 32 ARG QB . . 3.040 10.441 10.220 10.584 7.544 7 10 [**-***+***] 1
252 1 17 LEU QD 1 32 ARG QD . . 3.390 10.905 10.690 11.065 7.675 7 10 [**-***+***] 1
253 1 17 LEU QD 1 32 ARG QG . . 5.090 11.660 11.431 11.790 6.700 7 10 [**-***+***] 1
254 1 17 LEU HG 1 32 ARG HA . . 5.180 15.081 14.856 15.449 10.269 7 10 [**-***+***] 1
255 1 17 LEU HG 1 32 ARG QD . . 4.700 15.329 15.113 15.720 11.020 7 10 [**-***+***] 1
256 1 17 LEU O 1 21 ALA H . . 2.000 2.017 1.981 2.040 0.040 5 0 "[ . 1]" 1
257 1 17 LEU O 1 21 ALA N . . 3.000 2.951 2.899 3.001 0.001 5 0 "[ . 1]" 1
258 1 18 VAL H 1 18 VAL HB . . 3.050 2.616 2.574 2.665 . 0 0 "[ . 1]" 1
259 1 18 VAL H 1 18 VAL QG . . 3.110 2.087 2.007 2.161 . 0 0 "[ . 1]" 1
260 1 18 VAL HA 1 18 VAL QG . . 3.190 2.291 2.273 2.326 . 0 0 "[ . 1]" 1
261 1 18 VAL HA 1 21 ALA H . . 3.790 3.196 3.053 3.335 . 0 0 "[ . 1]" 1
262 1 18 VAL HA 1 21 ALA HA . . 5.500 5.282 5.171 5.406 . 0 0 "[ . 1]" 1
263 1 18 VAL HA 1 21 ALA MB . . 3.250 2.587 2.491 2.676 . 0 0 "[ . 1]" 1
264 1 18 VAL HA 1 22 MET H . . 5.210 4.098 4.048 4.134 . 0 0 "[ . 1]" 1
265 1 18 VAL HA 1 35 LEU QD . . 4.260 7.351 6.870 8.555 4.295 3 10 [**+****-**] 1
266 1 18 VAL HB 1 19 ARG H . . 4.050 4.050 4.026 4.066 0.016 7 0 "[ . 1]" 1
267 1 18 VAL QG 1 19 ARG H . . 3.930 2.029 1.979 2.088 . 0 0 "[ . 1]" 1
268 1 18 VAL QG 1 19 ARG QB . . 3.600 3.263 2.910 3.588 . 0 0 "[ . 1]" 1
269 1 18 VAL QG 1 20 ASP QB . . 5.500 4.964 4.941 4.982 . 0 0 "[ . 1]" 1
270 1 18 VAL QG 1 21 ALA MB . . 3.930 3.265 3.180 3.386 . 0 0 "[ . 1]" 1
271 1 18 VAL O 1 22 MET H . . 2.000 2.010 1.980 2.021 0.021 9 0 "[ . 1]" 1
272 1 18 VAL O 1 22 MET N . . 3.000 3.006 2.972 3.021 0.021 2 0 "[ . 1]" 1
273 1 19 ARG H 1 20 ASP QB . . 5.500 4.421 4.323 4.490 . 0 0 "[ . 1]" 1
274 1 19 ARG HA 1 19 ARG QB . . 2.710 2.449 2.379 2.489 . 0 0 "[ . 1]" 1
275 1 19 ARG HA 1 19 ARG QD . . 4.420 3.904 3.852 3.951 . 0 0 "[ . 1]" 1
276 1 19 ARG HA 1 19 ARG QG . . 3.310 2.291 2.208 2.435 . 0 0 "[ . 1]" 1
277 1 19 ARG HA 1 20 ASP HA . . 5.500 4.893 4.875 4.911 . 0 0 "[ . 1]" 1
278 1 19 ARG HA 1 21 ALA H . . 4.630 4.389 4.283 4.529 . 0 0 "[ . 1]" 1
279 1 19 ARG HA 1 22 MET QB . . 3.460 2.657 2.291 2.835 . 0 0 "[ . 1]" 1
280 1 19 ARG HA 1 22 MET QG . . 4.060 2.887 2.766 3.324 . 0 0 "[ . 1]" 1
281 1 19 ARG HA 1 23 THR MG . . 4.180 3.977 3.859 4.084 . 0 0 "[ . 1]" 1
282 1 19 ARG QB 1 20 ASP H . . 3.200 2.602 2.506 2.715 . 0 0 "[ . 1]" 1
283 1 19 ARG QB 1 21 ALA H . . 4.840 4.826 4.778 4.851 0.011 5 0 "[ . 1]" 1
284 1 19 ARG QG 1 20 ASP H . . 4.280 4.126 3.853 4.300 0.020 7 0 "[ . 1]" 1
285 1 19 ARG QG 1 22 MET QG . . 5.500 4.140 4.009 4.304 . 0 0 "[ . 1]" 1
286 1 19 ARG O 1 23 THR H . . 2.000 1.996 1.945 2.024 0.024 7 0 "[ . 1]" 1
287 1 19 ARG O 1 23 THR N . . 3.000 2.986 2.947 3.008 0.008 3 0 "[ . 1]" 1
288 1 20 ASP H 1 20 ASP QB . . 3.000 2.113 2.090 2.139 . 0 0 "[ . 1]" 1
289 1 20 ASP H 1 21 ALA HA . . 5.500 5.461 5.410 5.486 . 0 0 "[ . 1]" 1
290 1 20 ASP H 1 35 LEU QD . . 4.290 10.637 10.267 11.730 7.440 3 10 [**+****-**] 1
291 1 20 ASP HA 1 22 MET H . . 4.770 4.616 4.507 4.713 . 0 0 "[ . 1]" 1
292 1 20 ASP HA 1 23 THR H . . 3.850 3.552 3.453 3.778 . 0 0 "[ . 1]" 1
293 1 20 ASP HA 1 23 THR MG . . 4.750 3.960 3.815 4.122 . 0 0 "[ . 1]" 1
294 1 20 ASP HA 1 35 LEU QD . . 4.700 12.226 11.833 13.368 8.668 3 10 [**+***-***] 1
295 1 20 ASP QB 1 21 ALA HA . . 5.130 3.808 3.745 3.843 . 0 0 "[ . 1]" 1
296 1 20 ASP QB 1 21 ALA MB . . 5.500 3.819 3.755 3.855 . 0 0 "[ . 1]" 1
297 1 20 ASP QB 1 22 MET H . . 5.500 4.734 4.670 4.827 . 0 0 "[ . 1]" 1
298 1 20 ASP QB 1 35 LEU QD . . 2.950 9.739 9.347 10.864 7.914 3 10 [**+***-***] 1
299 1 20 ASP QB 1 35 LEU HG . . 4.300 13.380 12.924 13.617 9.317 2 10 [*+******-*] 1
300 1 20 ASP O 1 24 SER H . . 2.000 1.882 1.840 1.934 . 0 0 "[ . 1]" 1
301 1 20 ASP O 1 24 SER N . . 3.000 2.830 2.793 2.884 . 0 0 "[ . 1]" 1
302 1 21 ALA H 1 21 ALA MB . . 3.050 2.228 2.210 2.244 . 0 0 "[ . 1]" 1
303 1 21 ALA HA 1 24 SER QB . . 3.440 3.058 2.576 3.307 . 0 0 "[ . 1]" 1
304 1 21 ALA HA 1 26 VAL HB . . 5.500 2.325 2.241 2.539 . 0 0 "[ . 1]" 1
305 1 21 ALA HA 1 26 VAL QG . . 3.350 2.532 2.439 2.645 . 0 0 "[ . 1]" 1
306 1 21 ALA HA 1 35 LEU QD . . 2.760 10.211 9.765 11.434 8.674 9 10 [******-*+*] 1
307 1 21 ALA HA 1 35 LEU HG . . 5.000 13.931 13.685 14.128 9.128 2 10 [*+-*******] 1
308 1 21 ALA MB 1 22 MET H . . 3.410 2.522 2.478 2.615 . 0 0 "[ . 1]" 1
309 1 21 ALA MB 1 22 MET HA . . 3.880 3.914 3.898 3.941 0.061 3 0 "[ . 1]" 1
310 1 21 ALA MB 1 22 MET QG . . 5.500 3.915 3.681 4.043 . 0 0 "[ . 1]" 1
311 1 21 ALA MB 1 35 LEU QB . . 4.970 8.711 8.500 8.928 3.958 1 10 [+**-******] 1
312 1 21 ALA MB 1 35 LEU QD . . 2.790 7.013 6.662 8.025 5.235 9 10 [******-*+*] 1
313 1 21 ALA MB 1 35 LEU HG . . 3.580 9.615 9.434 9.776 6.196 2 10 [*+******-*] 1
314 1 21 ALA MB 1 39 LYS QD . . 5.300 12.194 11.996 12.655 7.355 3 10 [**+**-****] 1
315 1 22 MET H 1 22 MET QB . . 3.710 2.473 2.211 2.565 . 0 0 "[ . 1]" 1
316 1 22 MET H 1 22 MET QG . . 3.480 2.736 2.660 2.880 . 0 0 "[ . 1]" 1
317 1 22 MET H 1 23 THR H . . 3.380 2.913 2.825 2.964 . 0 0 "[ . 1]" 1
318 1 22 MET H 1 24 SER H . . 4.490 4.292 4.162 4.360 . 0 0 "[ . 1]" 1
319 1 22 MET HA 1 22 MET ME . . 2.750 2.130 2.052 2.204 . 0 0 "[ . 1]" 1
320 1 22 MET HA 1 22 MET QG . . 3.860 3.042 2.488 3.181 . 0 0 "[ . 1]" 1
321 1 22 MET HA 1 23 THR MG . . 4.980 4.963 4.903 5.004 0.024 6 0 "[ . 1]" 1
322 1 22 MET QB 1 23 THR H . . 3.630 2.572 2.418 2.673 . 0 0 "[ . 1]" 1
323 1 22 MET QB 1 23 THR HA . . 5.500 3.973 3.785 4.062 . 0 0 "[ . 1]" 1
324 1 22 MET QB 1 23 THR MG . . 4.720 3.070 2.956 3.150 . 0 0 "[ . 1]" 1
325 1 22 MET ME 1 28 LYS H . . 5.500 4.427 4.108 4.952 . 0 0 "[ . 1]" 1
326 1 22 MET QG 1 23 THR H . . 5.390 4.294 4.141 4.369 . 0 0 "[ . 1]" 1
327 1 23 THR H 1 23 THR HB . . 4.200 3.663 3.643 3.677 . 0 0 "[ . 1]" 1
328 1 23 THR H 1 23 THR MG . . 3.770 2.364 2.246 2.567 . 0 0 "[ . 1]" 1
329 1 23 THR H 1 24 SER H . . 3.150 2.682 2.558 2.812 . 0 0 "[ . 1]" 1
330 1 23 THR H 1 25 GLY H . . 4.260 4.263 4.197 4.290 0.030 9 0 "[ . 1]" 1
331 1 23 THR HA 1 23 THR HB . . 2.920 2.457 2.441 2.485 . 0 0 "[ . 1]" 1
332 1 23 THR HA 1 23 THR MG . . 2.950 2.344 2.319 2.368 . 0 0 "[ . 1]" 1
333 1 23 THR HA 1 24 SER H . . 3.530 3.567 3.554 3.586 0.056 9 0 "[ . 1]" 1
334 1 23 THR MG 1 24 SER H . . 4.140 4.117 4.063 4.149 0.009 7 0 "[ . 1]" 1
335 1 23 THR MG 1 24 SER HA . . 5.500 5.497 5.443 5.537 0.037 6 0 "[ . 1]" 1
336 1 24 SER H 1 24 SER QB . . 3.100 2.314 2.245 2.357 . 0 0 "[ . 1]" 1
337 1 24 SER H 1 25 GLY H . . 3.270 2.766 2.639 2.843 . 0 0 "[ . 1]" 1
338 1 24 SER H 1 26 VAL QG . . 4.500 4.213 4.058 4.374 . 0 0 "[ . 1]" 1
339 1 24 SER H 1 39 LYS QG . . 5.500 20.059 19.799 20.217 14.717 10 10 [******-**+] 1
340 1 24 SER HA 1 26 VAL QG . . 4.740 4.634 4.407 4.873 0.133 4 0 "[ . 1]" 1
341 1 24 SER HA 1 39 LYS QE . . 5.500 21.755 21.526 21.951 16.451 9 10 [******-*+*] 1
342 1 24 SER HA 1 39 LYS QG . . 4.760 22.163 21.881 22.348 17.588 5 10 [****+-****] 1
343 1 24 SER QB 1 26 VAL QG . . 3.950 2.456 2.161 2.789 . 0 0 "[ . 1]" 1
344 1 24 SER QB 1 35 LEU QD . . 3.720 11.475 10.928 12.560 8.840 9 10 [-*******+*] 1
345 1 24 SER QB 1 39 LYS HA . . 4.210 21.273 20.839 21.518 17.308 8 10 [*****-*+**] 1
346 1 24 SER QB 1 39 LYS QE . . 3.750 17.760 17.396 18.004 14.254 5 10 [-***+*****] 1
347 1 24 SER QB 1 39 LYS QG . . 3.540 18.013 17.613 18.276 14.736 5 10 [****+-****] 1
348 1 24 SER QB 1 45 LYS QD . . 4.490 21.479 21.113 22.075 17.585 8 10 [-******+**] 1
349 1 25 GLY H 1 26 VAL H . . 3.400 2.593 2.269 2.728 . 0 0 "[ . 1]" 1
350 1 25 GLY H 1 26 VAL QG . . 4.370 4.098 3.870 4.278 . 0 0 "[ . 1]" 1
351 1 26 VAL H 1 26 VAL HB . . 3.730 2.214 2.179 2.247 . 0 0 "[ . 1]" 1
352 1 26 VAL H 1 26 VAL QG . . 3.110 2.422 2.368 2.493 . 0 0 "[ . 1]" 1
353 1 26 VAL H 1 27 SER H . . 4.810 4.658 4.637 4.676 . 0 0 "[ . 1]" 1
354 1 26 VAL H 1 39 LYS QG . . 5.500 18.701 18.455 18.912 13.412 10 10 [******-**+] 1
355 1 26 VAL HA 1 26 VAL QG . . 2.900 2.104 2.068 2.129 . 0 0 "[ . 1]" 1
356 1 26 VAL HA 1 38 GLN QB . . 3.840 15.979 15.728 16.208 12.368 5 10 [****+*-***] 1
357 1 26 VAL HA 1 38 GLN QG . . 5.340 14.544 14.282 14.797 9.457 2 10 [*+****-***] 1
358 1 26 VAL HA 1 42 LYS QD . . 5.090 20.051 19.613 20.230 15.140 3 10 [*-+*******] 1
359 1 26 VAL HA 1 42 LYS QE . . 5.500 20.177 19.915 20.754 15.254 5 10 [***-+*****] 1
360 1 26 VAL HB 1 27 SER H . . 4.080 4.095 4.082 4.105 0.025 1 0 "[ . 1]" 1
361 1 26 VAL HB 1 28 LYS HA . . 5.500 5.513 5.379 5.542 0.042 6 0 "[ . 1]" 1
362 1 26 VAL HB 1 35 LEU QD . . 4.040 10.061 9.578 11.222 7.182 9 10 [******-*+*] 1
363 1 26 VAL HB 1 38 GLN QB . . 4.330 14.939 14.706 15.141 10.811 9 10 [***-****+*] 1
364 1 26 VAL QG 1 27 SER H . . 3.460 2.277 2.248 2.317 . 0 0 "[ . 1]" 1
365 1 26 VAL QG 1 27 SER HA . . 5.440 4.037 3.963 4.091 . 0 0 "[ . 1]" 1
366 1 26 VAL QG 1 28 LYS H . . 4.730 4.240 3.803 4.457 . 0 0 "[ . 1]" 1
367 1 26 VAL QG 1 30 GLN H . . 5.440 4.850 4.754 4.969 . 0 0 "[ . 1]" 1
368 1 26 VAL QG 1 30 GLN QB . . 4.500 3.663 3.552 3.775 . 0 0 "[ . 1]" 1
369 1 26 VAL QG 1 30 GLN QG . . 4.950 4.251 4.169 4.341 . 0 0 "[ . 1]" 1
370 1 26 VAL QG 1 31 PHE H . . 5.130 4.572 4.293 4.703 . 0 0 "[ . 1]" 1
371 1 26 VAL QG 1 31 PHE QD . . 4.340 3.117 2.736 3.675 . 0 0 "[ . 1]" 1
372 1 26 VAL QG 1 35 LEU H . . 5.440 8.440 8.120 8.593 3.153 5 10 [***-+*****] 1
373 1 26 VAL QG 1 35 LEU HA . . 3.710 9.785 9.500 9.935 6.225 2 10 [*+*-******] 1
374 1 26 VAL QG 1 35 LEU QD . . 2.750 7.181 6.742 8.094 5.344 9 10 [******-*+*] 1
375 1 26 VAL QG 1 38 GLN H . . 5.440 11.201 10.930 11.332 5.892 5 10 [****+*-***] 1
376 1 26 VAL QG 1 38 GLN HA . . 4.350 12.745 12.500 12.917 8.567 2 10 [*+*-******] 1
377 1 26 VAL QG 1 38 GLN QB . . 2.650 10.415 10.208 10.560 7.910 5 10 [****+*-***] 1
378 1 26 VAL QG 1 38 GLN QG . . 3.880 9.381 9.177 9.604 5.724 2 10 [*+****-***] 1
379 1 26 VAL QG 1 39 LYS H . . 4.440 12.652 12.373 12.799 8.359 5 10 [****+*-***] 1
380 1 26 VAL QG 1 39 LYS HA . . 3.420 14.420 14.131 14.563 11.143 10 10 [******-**+] 1
381 1 26 VAL QG 1 39 LYS QB . . 4.630 12.586 12.275 12.753 8.123 5 10 [****+*-***] 1
382 1 26 VAL QG 1 39 LYS QE . . 4.110 12.066 11.737 12.203 8.093 9 10 [******-*+*] 1
383 1 26 VAL QG 1 39 LYS QG . . 2.980 12.120 11.798 12.293 9.313 10 10 [******-**+] 1
384 1 26 VAL QG 1 43 SER QB . . 5.440 15.063 14.804 15.640 10.200 9 10 [******-*+*] 1
385 1 27 SER H 1 27 SER QB . . 2.780 2.444 2.376 2.508 . 0 0 "[ . 1]" 1
386 1 27 SER H 1 38 GLN QG . . 5.340 13.363 13.192 13.584 8.244 2 10 [*+-*******] 1
387 1 27 SER HA 1 28 LYS H . . 3.200 2.200 2.147 2.260 . 0 0 "[ . 1]" 1
388 1 27 SER HA 1 29 LYS H . . 4.260 3.717 3.561 3.893 . 0 0 "[ . 1]" 1
389 1 27 SER HA 1 30 GLN H . . 4.710 4.343 4.298 4.391 . 0 0 "[ . 1]" 1
390 1 27 SER HA 1 30 GLN QG . . 4.530 4.417 4.354 4.490 . 0 0 "[ . 1]" 1
391 1 27 SER HA 1 38 GLN QG . . 5.340 14.237 14.060 14.511 9.171 2 10 [*+-*******] 1
392 1 27 SER QB 1 28 LYS H . . 3.690 3.661 3.561 3.738 0.048 5 0 "[ . 1]" 1
393 1 27 SER QB 1 29 LYS H . . 4.170 3.409 3.332 3.458 . 0 0 "[ . 1]" 1
394 1 27 SER QB 1 29 LYS HA . . 5.340 5.364 5.347 5.388 0.048 5 0 "[ . 1]" 1
395 1 27 SER QB 1 29 LYS HB2 . . 5.110 5.029 4.972 5.101 . 0 0 "[ . 1]" 1
396 1 27 SER QB 1 30 GLN H . . 3.370 2.707 2.580 2.822 . 0 0 "[ . 1]" 1
397 1 27 SER QB 1 30 GLN QB . . 4.340 2.640 2.455 2.869 . 0 0 "[ . 1]" 1
398 1 27 SER QB 1 30 GLN HE21 . . 4.560 3.738 3.544 4.162 . 0 0 "[ . 1]" 1
399 1 27 SER QB 1 30 GLN QG . . 3.510 1.993 1.949 2.071 . 0 0 "[ . 1]" 1
400 1 27 SER QB 1 38 GLN QG . . 4.370 11.093 10.870 11.290 6.920 2 10 [*+*******-] 1
401 1 28 LYS H 1 29 LYS H . . 3.560 2.894 2.857 2.952 . 0 0 "[ . 1]" 1
402 1 28 LYS H 1 29 LYS QD . . 5.500 4.447 4.351 4.597 . 0 0 "[ . 1]" 1
403 1 28 LYS H 1 30 GLN H . . 4.340 4.352 4.306 4.363 0.023 8 0 "[ . 1]" 1
404 1 28 LYS H 1 30 GLN QB . . 5.500 5.363 5.341 5.375 . 0 0 "[ . 1]" 1
405 1 28 LYS HA 1 30 GLN H . . 4.250 4.060 3.786 4.253 0.003 4 0 "[ . 1]" 1
406 1 28 LYS HA 1 31 PHE H . . 3.790 3.454 3.090 3.650 . 0 0 "[ . 1]" 1
407 1 29 LYS H 1 29 LYS QD . . 2.800 2.817 2.813 2.821 0.021 7 0 "[ . 1]" 1
408 1 29 LYS H 1 29 LYS HG3 . . 3.630 3.639 3.634 3.646 0.016 5 0 "[ . 1]" 1
409 1 29 LYS H 1 30 GLN HA . . 5.500 5.376 5.352 5.405 . 0 0 "[ . 1]" 1
410 1 29 LYS H 1 30 GLN QG . . 4.480 4.450 4.406 4.482 0.002 4 0 "[ . 1]" 1
411 1 29 LYS H 1 31 PHE H . . 4.990 4.339 4.267 4.408 . 0 0 "[ . 1]" 1
412 1 29 LYS H 1 31 PHE QB . . 5.450 5.058 4.899 5.175 . 0 0 "[ . 1]" 1
413 1 29 LYS HA 1 29 LYS QE . . 5.500 4.792 4.343 5.461 . 0 0 "[ . 1]" 1
414 1 29 LYS HA 1 29 LYS HG2 . . 3.640 3.652 3.646 3.659 0.019 6 0 "[ . 1]" 1
415 1 29 LYS HA 1 30 GLN QG . . 5.500 5.418 5.398 5.465 . 0 0 "[ . 1]" 1
416 1 29 LYS HA 1 31 PHE QB . . 5.220 4.695 4.597 4.823 . 0 0 "[ . 1]" 1
417 1 29 LYS HA 1 32 ARG QB . . 3.680 3.215 2.999 3.503 . 0 0 "[ . 1]" 1
418 1 29 LYS HA 1 33 GLU QG . . 5.500 4.110 3.911 4.283 . 0 0 "[ . 1]" 1
419 1 29 LYS HB2 1 30 GLN HA . . 4.560 4.575 4.568 4.579 0.019 5 0 "[ . 1]" 1
420 1 29 LYS HB2 1 33 GLU QG . . 5.500 3.449 3.272 3.774 . 0 0 "[ . 1]" 1
421 1 29 LYS HB3 1 30 GLN QG . . 5.500 5.335 5.306 5.395 . 0 0 "[ . 1]" 1
422 1 29 LYS QD 1 30 GLN HE21 . . 5.210 4.466 4.112 5.029 . 0 0 "[ . 1]" 1
423 1 29 LYS QE 1 29 LYS HG2 . . 3.640 2.977 2.418 3.339 . 0 0 "[ . 1]" 1
424 1 29 LYS QE 1 29 LYS HG3 . . 2.760 2.418 2.362 2.447 . 0 0 "[ . 1]" 1
425 1 29 LYS HG2 1 30 GLN HA . . 4.330 4.304 4.234 4.340 0.010 4 0 "[ . 1]" 1
426 1 29 LYS HG2 1 30 GLN QB . . 5.500 4.142 4.093 4.197 . 0 0 "[ . 1]" 1
427 1 29 LYS HG2 1 30 GLN HE21 . . 5.500 4.003 3.633 4.303 . 0 0 "[ . 1]" 1
428 1 29 LYS HG2 1 30 GLN HE22 . . 5.500 5.446 5.321 5.507 0.007 3 0 "[ . 1]" 1
429 1 29 LYS HG2 1 30 GLN QG . . 4.770 2.883 2.821 2.955 . 0 0 "[ . 1]" 1
430 1 29 LYS HG2 1 31 PHE H . . 4.740 4.752 4.710 4.770 0.030 2 0 "[ . 1]" 1
431 1 29 LYS HG3 1 30 GLN H . . 4.220 3.177 3.127 3.223 . 0 0 "[ . 1]" 1
432 1 29 LYS HG3 1 30 GLN HA . . 5.490 3.986 3.905 4.061 . 0 0 "[ . 1]" 1
433 1 30 GLN H 1 30 GLN QB . . 3.030 2.413 2.389 2.441 . 0 0 "[ . 1]" 1
434 1 30 GLN H 1 30 GLN HE21 . . 5.490 4.241 3.531 4.711 . 0 0 "[ . 1]" 1
435 1 30 GLN H 1 30 GLN HE22 . . 5.500 5.417 5.137 5.523 0.023 10 0 "[ . 1]" 1
436 1 30 GLN H 1 31 PHE H . . 3.520 2.639 2.590 2.675 . 0 0 "[ . 1]" 1
437 1 30 GLN H 1 31 PHE QB . . 4.790 4.349 4.236 4.460 . 0 0 "[ . 1]" 1
438 1 30 GLN HA 1 30 GLN HE21 . . 4.350 3.639 2.305 4.360 0.010 2 0 "[ . 1]" 1
439 1 30 GLN HA 1 30 GLN HE22 . . 4.410 3.914 3.351 4.200 . 0 0 "[ . 1]" 1
440 1 30 GLN HA 1 30 GLN QG . . 3.050 2.916 2.888 2.963 . 0 0 "[ . 1]" 1
441 1 30 GLN HA 1 33 GLU QB . . 2.860 2.725 2.499 2.865 0.005 6 0 "[ . 1]" 1
442 1 30 GLN QB 1 30 GLN HE22 . . 4.710 4.354 4.109 4.459 . 0 0 "[ . 1]" 1
443 1 30 GLN QB 1 31 PHE H . . 3.540 2.796 2.746 2.854 . 0 0 "[ . 1]" 1
444 1 30 GLN QB 1 34 PHE QD . . 3.870 4.412 4.139 4.604 0.734 2 7 "[*+ *-* * *]" 1
445 1 30 GLN QB 1 38 GLN QE . . 5.500 8.563 8.250 8.958 3.458 2 10 [*+***-****] 1
446 1 30 GLN HE22 1 30 GLN QG . . 3.430 3.296 3.247 3.393 . 0 0 "[ . 1]" 1
447 1 30 GLN QG 1 34 PHE QD . . 4.760 5.897 5.711 6.194 1.434 3 10 [**+***-***] 1
448 1 30 GLN QG 1 37 TYR QE . . 5.500 9.186 9.023 9.654 4.154 2 10 [*+*-******] 1
449 1 30 GLN QG 1 38 GLN QB . . 5.340 10.917 10.721 11.030 5.690 7 10 [******+**-] 1
450 1 30 GLN QG 1 38 GLN QE . . 3.740 9.954 9.647 10.329 6.589 2 10 [*+***-****] 1
451 1 30 GLN QG 1 38 GLN QG . . 3.770 9.639 9.367 9.810 6.040 2 10 [*+*******-] 1
452 1 31 PHE H 1 31 PHE QB . . 2.910 2.113 2.030 2.209 . 0 0 "[ . 1]" 1
453 1 31 PHE H 1 31 PHE QD . . 3.800 2.911 2.601 3.343 . 0 0 "[ . 1]" 1
454 1 31 PHE H 1 32 ARG H . . 3.400 2.904 2.828 2.984 . 0 0 "[ . 1]" 1
455 1 31 PHE H 1 32 ARG QB . . 4.880 4.569 4.552 4.588 . 0 0 "[ . 1]" 1
456 1 31 PHE H 1 33 GLU H . . 4.490 4.431 4.368 4.491 0.001 5 0 "[ . 1]" 1
457 1 31 PHE H 1 34 PHE H . . 4.870 4.801 4.745 4.842 . 0 0 "[ . 1]" 1
458 1 31 PHE HA 1 31 PHE QD . . 4.320 2.872 2.293 3.007 . 0 0 "[ . 1]" 1
459 1 31 PHE QB 1 32 ARG H . . 3.590 2.536 2.433 2.679 . 0 0 "[ . 1]" 1
460 1 31 PHE QB 1 35 LEU QB . . 5.500 4.576 4.327 4.876 . 0 0 "[ . 1]" 1
461 1 31 PHE QD 1 34 PHE QB . . 5.190 5.146 4.963 5.214 0.024 6 0 "[ . 1]" 1
462 1 31 PHE QD 1 35 LEU QB . . 5.500 5.173 4.851 5.347 . 0 0 "[ . 1]" 1
463 1 31 PHE QD 1 35 LEU QD . . 4.240 3.810 3.199 5.042 0.802 3 1 "[ + . 1]" 1
464 1 31 PHE HZ 1 35 LEU HA . . 5.500 9.567 8.750 9.932 4.432 5 10 [**-*+*****] 1
465 1 31 PHE HZ 1 35 LEU QD . . 2.990 6.270 5.538 7.654 4.664 9 10 [***-****+*] 1
466 1 31 PHE HZ 1 35 LEU HG . . 4.360 8.947 7.930 9.805 5.445 5 10 [**-*+*****] 1
467 1 31 PHE O 1 35 LEU H . . 2.000 2.038 2.010 2.075 0.075 4 0 "[ . 1]" 1
468 1 31 PHE O 1 35 LEU N . . 3.000 2.981 2.955 3.040 0.040 4 0 "[ . 1]" 1
469 1 32 ARG H 1 32 ARG QB . . 3.190 2.196 2.149 2.237 . 0 0 "[ . 1]" 1
470 1 32 ARG H 1 32 ARG QG . . 5.060 3.991 3.947 4.027 . 0 0 "[ . 1]" 1
471 1 32 ARG H 1 33 GLU H . . 3.550 2.867 2.840 2.899 . 0 0 "[ . 1]" 1
472 1 32 ARG H 1 33 GLU QG . . 4.940 4.608 4.506 4.644 . 0 0 "[ . 1]" 1
473 1 32 ARG H 1 34 PHE H . . 4.960 4.392 4.302 4.501 . 0 0 "[ . 1]" 1
474 1 32 ARG H 1 35 LEU QB . . 5.500 4.595 4.522 4.709 . 0 0 "[ . 1]" 1
475 1 32 ARG H 1 35 LEU QD . . 5.190 4.976 4.702 5.271 0.081 4 0 "[ . 1]" 1
476 1 32 ARG HA 1 32 ARG QD . . 3.300 2.122 2.107 2.170 . 0 0 "[ . 1]" 1
477 1 32 ARG HA 1 32 ARG QG . . 3.760 3.126 3.088 3.153 . 0 0 "[ . 1]" 1
478 1 32 ARG HA 1 34 PHE H . . 4.950 4.669 4.545 4.764 . 0 0 "[ . 1]" 1
479 1 32 ARG HA 1 35 LEU H . . 3.880 3.586 3.528 3.639 . 0 0 "[ . 1]" 1
480 1 32 ARG HA 1 35 LEU QB . . 2.830 2.561 2.452 2.698 . 0 0 "[ . 1]" 1
481 1 32 ARG HA 1 35 LEU QD . . 4.150 3.602 2.939 3.999 . 0 0 "[ . 1]" 1
482 1 32 ARG HA 1 35 LEU HG . . 4.510 4.177 3.943 4.562 0.052 3 0 "[ . 1]" 1
483 1 32 ARG HA 1 36 ASP H . . 5.500 4.192 4.062 4.286 . 0 0 "[ . 1]" 1
484 1 32 ARG QB 1 32 ARG QD . . 3.450 2.506 2.489 2.539 . 0 0 "[ . 1]" 1
485 1 32 ARG QB 1 33 GLU H . . 3.350 2.511 2.499 2.526 . 0 0 "[ . 1]" 1
486 1 32 ARG QD 1 35 LEU H . . 5.500 4.805 4.666 5.011 . 0 0 "[ . 1]" 1
487 1 32 ARG QD 1 35 LEU QB . . 5.500 3.163 3.028 3.257 . 0 0 "[ . 1]" 1
488 1 32 ARG HE 1 36 ASP H . . 4.950 4.121 3.844 4.239 . 0 0 "[ . 1]" 1
489 1 32 ARG HE 1 36 ASP HB2 . . 4.560 3.789 3.633 4.044 . 0 0 "[ . 1]" 1
490 1 32 ARG HE 1 36 ASP HB3 . . 4.560 4.433 4.359 4.522 . 0 0 "[ . 1]" 1
491 1 32 ARG QG 1 33 GLU H . . 4.140 3.212 3.162 3.254 . 0 0 "[ . 1]" 1
492 1 32 ARG QG 1 33 GLU HA . . 3.840 3.364 3.324 3.413 . 0 0 "[ . 1]" 1
493 1 32 ARG QG 1 33 GLU QG . . 5.500 3.731 3.521 3.886 . 0 0 "[ . 1]" 1
494 1 33 GLU H 1 33 GLU QB . . 2.980 2.519 2.425 2.627 . 0 0 "[ . 1]" 1
495 1 33 GLU H 1 33 GLU QG . . 3.190 2.321 2.217 2.371 . 0 0 "[ . 1]" 1
496 1 33 GLU H 1 34 PHE H . . 3.570 2.877 2.839 2.953 . 0 0 "[ . 1]" 1
497 1 33 GLU H 1 34 PHE HA . . 5.500 5.465 5.436 5.491 . 0 0 "[ . 1]" 1
498 1 33 GLU H 1 35 LEU H . . 4.790 4.243 4.210 4.307 . 0 0 "[ . 1]" 1
499 1 33 GLU HA 1 33 GLU QG . . 3.430 3.080 2.895 3.191 . 0 0 "[ . 1]" 1
500 1 33 GLU HA 1 35 LEU H . . 4.760 4.477 4.415 4.542 . 0 0 "[ . 1]" 1
501 1 33 GLU HA 2 40 TRP HD1 . . 6.000 23.531 22.945 23.976 17.976 10 10 [*******-*+] 1
502 1 33 GLU QB 1 34 PHE H . . 3.500 2.655 2.593 2.752 . 0 0 "[ . 1]" 1
503 1 33 GLU QB 1 35 LEU H . . 4.810 4.798 4.768 4.830 0.020 6 0 "[ . 1]" 1
504 1 33 GLU QB 1 36 ASP H . . 5.500 5.140 4.991 5.210 . 0 0 "[ . 1]" 1
505 1 33 GLU QB 2 37 TYR QB . . 6.000 10.618 10.219 11.026 5.026 10 10 [*-*******+] 1
506 1 33 GLU QB 2 40 TRP HD1 . . 6.000 19.078 18.598 19.433 13.433 10 10 [*******-*+] 1
507 1 33 GLU QB 2 41 ARG QB . . 5.500 11.329 10.953 11.602 6.102 9 10 [***-****+*] 1
508 1 33 GLU QG 1 34 PHE H . . 4.590 4.210 4.131 4.256 . 0 0 "[ . 1]" 1
509 1 33 GLU QG 2 37 TYR QE . . 4.460 9.522 8.924 10.062 5.602 10 10 [*-*******+] 1
510 1 33 GLU QG 2 41 ARG QB . . 6.000 11.709 11.335 12.138 6.138 9 10 [*******-+*] 1
511 1 33 GLU QG 2 42 LYS QE . . 5.500 10.449 9.902 10.864 5.364 10 10 [*******-*+] 1
512 1 33 GLU O 1 37 TYR H . . 2.000 1.997 1.942 2.018 0.018 1 0 "[ . 1]" 1
513 1 33 GLU O 1 37 TYR N . . 3.000 2.975 2.909 3.000 0.000 8 0 "[ . 1]" 1
514 1 34 PHE H 1 35 LEU H . . 3.600 2.717 2.640 2.790 . 0 0 "[ . 1]" 1
515 1 34 PHE H 1 36 ASP H . . 5.340 4.518 4.387 4.612 . 0 0 "[ . 1]" 1
516 1 34 PHE HA 1 34 PHE QD . . 4.270 3.074 2.969 3.508 . 0 0 "[ . 1]" 1
517 1 34 PHE QB 1 35 LEU H . . 4.120 2.864 2.686 3.594 . 0 0 "[ . 1]" 1
518 1 34 PHE QB 1 35 LEU HA . . 5.340 4.331 4.174 5.123 . 0 0 "[ . 1]" 1
519 1 34 PHE QD 1 35 LEU HA . . 5.500 3.921 3.725 4.290 . 0 0 "[ . 1]" 1
520 1 34 PHE QD 1 35 LEU QB . . 5.500 5.086 4.162 5.239 . 0 0 "[ . 1]" 1
521 1 34 PHE QD 1 35 LEU QD . . 4.100 4.164 3.829 5.126 1.026 3 2 "[ + . -1]" 1
522 1 34 PHE O 1 38 GLN H . . 2.000 1.939 1.910 1.983 . 0 0 "[ . 1]" 1
523 1 34 PHE O 1 38 GLN N . . 3.000 2.944 2.911 2.979 . 0 0 "[ . 1]" 1
524 1 35 LEU H 1 36 ASP H . . 3.590 2.940 2.910 2.982 . 0 0 "[ . 1]" 1
525 1 35 LEU HA 1 35 LEU QD . . 3.350 2.028 1.944 2.308 . 0 0 "[ . 1]" 1
526 1 35 LEU HA 1 35 LEU HG . . 4.170 3.520 2.843 3.685 . 0 0 "[ . 1]" 1
527 1 35 LEU HA 1 38 GLN QB . . 4.680 3.292 3.125 3.476 . 0 0 "[ . 1]" 1
528 1 35 LEU HA 1 38 GLN QG . . 4.950 4.128 3.999 4.296 . 0 0 "[ . 1]" 1
529 1 35 LEU QB 1 36 ASP H . . 5.500 2.334 2.093 2.445 . 0 0 "[ . 1]" 1
530 1 35 LEU QB 1 36 ASP HA . . 5.500 3.768 3.700 3.891 . 0 0 "[ . 1]" 1
531 1 35 LEU QB 1 39 LYS QB . . 5.200 4.853 4.588 5.050 . 0 0 "[ . 1]" 1
532 1 35 LEU QB 1 39 LYS QE . . 5.340 4.102 3.805 4.524 . 0 0 "[ . 1]" 1
533 1 35 LEU QD 1 36 ASP HA . . 5.220 3.869 3.201 4.300 . 0 0 "[ . 1]" 1
534 1 35 LEU QD 1 39 LYS QD . . 4.280 2.235 2.125 2.292 . 0 0 "[ . 1]" 1
535 1 35 LEU O 1 39 LYS H . . 2.000 1.918 1.841 2.009 0.009 3 0 "[ . 1]" 1
536 1 35 LEU O 1 39 LYS N . . 3.000 2.894 2.821 2.987 . 0 0 "[ . 1]" 1
537 1 36 ASP H 1 36 ASP HB2 . . 3.750 2.444 2.406 2.499 . 0 0 "[ . 1]" 1
538 1 36 ASP H 1 36 ASP QB . . 3.100 2.407 2.372 2.458 . 0 0 "[ . 1]" 1
539 1 36 ASP H 1 36 ASP HB3 . . 3.750 3.612 3.588 3.638 . 0 0 "[ . 1]" 1
540 1 36 ASP H 1 37 TYR H . . 3.450 2.740 2.683 2.843 . 0 0 "[ . 1]" 1
541 1 36 ASP H 1 37 TYR QB . . 5.340 4.306 4.223 4.375 . 0 0 "[ . 1]" 1
542 1 36 ASP H 1 38 GLN H . . 4.760 4.455 4.355 4.554 . 0 0 "[ . 1]" 1
543 1 36 ASP HA 1 39 LYS H . . 4.080 3.265 3.193 3.484 . 0 0 "[ . 1]" 1
544 1 36 ASP HA 1 39 LYS HA . . 5.500 5.065 4.996 5.259 . 0 0 "[ . 1]" 1
545 1 36 ASP HA 1 39 LYS QB . . 3.560 2.134 2.064 2.262 . 0 0 "[ . 1]" 1
546 1 36 ASP HA 1 39 LYS QD . . 3.530 2.240 2.051 2.562 . 0 0 "[ . 1]" 1
547 1 36 ASP HA 1 39 LYS QG . . 4.430 3.666 3.468 3.941 . 0 0 "[ . 1]" 1
548 1 36 ASP QB 1 37 TYR HA . . 4.420 4.201 3.993 4.304 . 0 0 "[ . 1]" 1
549 1 36 ASP QB 1 39 LYS QB . . 5.340 3.847 3.722 4.056 . 0 0 "[ . 1]" 1
550 1 36 ASP QB 2 40 TRP HD1 . . 6.000 23.723 23.188 24.161 18.161 10 10 [******-**+] 1
551 1 36 ASP HB2 1 40 TRP HE3 . . 5.500 4.518 4.057 5.070 . 0 0 "[ . 1]" 1
552 1 36 ASP HB3 1 40 TRP HE3 . . 5.500 3.229 2.931 3.557 . 0 0 "[ . 1]" 1
553 1 36 ASP O 1 40 TRP H . . 2.000 1.990 1.935 2.014 0.014 9 0 "[ . 1]" 1
554 1 36 ASP O 1 40 TRP N . . 3.000 2.992 2.926 3.019 0.019 2 0 "[ . 1]" 1
555 1 37 TYR H 1 37 TYR QB . . 3.690 2.092 2.075 2.126 . 0 0 "[ . 1]" 1
556 1 37 TYR H 1 37 TYR QD . . 4.250 4.080 3.868 4.144 . 0 0 "[ . 1]" 1
557 1 37 TYR HA 1 37 TYR QD . . 3.330 2.606 2.474 2.966 . 0 0 "[ . 1]" 1
558 1 37 TYR HA 2 37 TYR HA . . 6.000 18.571 17.636 19.138 13.138 10 10 [******-**+] 1
559 1 37 TYR HA 2 37 TYR QD . . 5.410 13.387 12.532 13.901 8.491 10 10 [******-**+] 1
560 1 37 TYR HA 2 40 TRP HE3 . . 6.000 22.251 21.483 22.931 16.931 10 10 [******-**+] 1
561 1 37 TYR QB 1 38 GLN H . . 3.470 2.671 2.557 3.029 . 0 0 "[ . 1]" 1
562 1 37 TYR QB 1 39 LYS H . . 5.340 4.839 4.779 5.014 . 0 0 "[ . 1]" 1
563 1 37 TYR QB 2 37 TYR QE . . 5.500 9.273 8.536 9.715 4.215 10 10 [******-**+] 1
564 1 37 TYR QB 2 40 TRP HE3 . . 6.000 17.696 16.967 18.239 12.239 10 10 [******-**+] 1
565 1 37 TYR QD 1 38 GLN H . . 4.240 3.455 3.073 3.688 . 0 0 "[ . 1]" 1
566 1 37 TYR QD 1 38 GLN HA . . 5.500 4.262 4.133 4.366 . 0 0 "[ . 1]" 1
567 1 37 TYR QD 2 37 TYR HA . . 5.410 13.403 12.476 13.978 8.568 10 10 [******-**+] 1
568 1 37 TYR QE 1 38 GLN QE . . 3.690 2.454 2.233 2.640 . 0 0 "[ . 1]" 1
569 1 37 TYR QE 2 33 GLU QG . . 4.460 9.552 8.929 10.095 5.635 6 10 [*-***+****] 1
570 1 37 TYR QE 2 37 TYR QB . . 5.500 9.221 8.378 9.817 4.317 10 10 [******-**+] 1
571 1 38 GLN H 1 39 LYS H . . 3.350 2.785 2.741 2.831 . 0 0 "[ . 1]" 1
572 1 38 GLN HA 1 38 GLN QE . . 4.480 3.480 3.115 3.853 . 0 0 "[ . 1]" 1
573 1 38 GLN HA 1 39 LYS HA . . 5.500 4.907 4.848 4.931 . 0 0 "[ . 1]" 1
574 1 38 GLN HA 1 42 LYS H . . 4.710 3.479 3.321 3.639 . 0 0 "[ . 1]" 1
575 1 38 GLN O 1 42 LYS H . . 2.000 1.780 1.765 1.794 . 0 0 "[ . 1]" 1
576 1 38 GLN O 1 42 LYS N . . 3.000 2.772 2.761 2.784 . 0 0 "[ . 1]" 1
577 1 39 LYS H 1 39 LYS QG . . 2.900 2.792 2.731 2.856 . 0 0 "[ . 1]" 1
578 1 39 LYS H 1 40 TRP H . . 3.590 2.866 2.814 2.921 . 0 0 "[ . 1]" 1
579 1 39 LYS H 1 40 TRP QB . . 4.700 4.685 4.677 4.695 . 0 0 "[ . 1]" 1
580 1 39 LYS H 1 42 LYS QB . . 4.840 4.858 4.712 4.901 0.061 9 0 "[ . 1]" 1
581 1 39 LYS HA 1 39 LYS QD . . 4.900 4.063 4.016 4.101 . 0 0 "[ . 1]" 1
582 1 39 LYS HA 1 39 LYS QE . . 5.500 4.691 4.627 4.780 . 0 0 "[ . 1]" 1
583 1 39 LYS HA 1 39 LYS QG . . 3.960 2.435 2.396 2.488 . 0 0 "[ . 1]" 1
584 1 39 LYS HA 1 41 ARG H . . 4.770 4.232 4.035 4.676 . 0 0 "[ . 1]" 1
585 1 39 LYS HA 1 42 LYS QB . . 3.360 3.330 3.131 3.446 0.086 2 0 "[ . 1]" 1
586 1 39 LYS QB 1 39 LYS QD . . 2.740 2.096 2.032 2.128 . 0 0 "[ . 1]" 1
587 1 39 LYS QB 1 39 LYS QE . . 3.790 3.473 3.414 3.528 . 0 0 "[ . 1]" 1
588 1 39 LYS QB 1 40 TRP HE3 . . 5.500 3.210 2.171 4.807 . 0 0 "[ . 1]" 1
589 1 39 LYS QE 1 39 LYS QG . . 2.990 2.208 2.150 2.271 . 0 0 "[ . 1]" 1
590 1 39 LYS O 1 43 SER H . . 2.000 2.030 2.018 2.050 0.050 2 0 "[ . 1]" 1
591 1 39 LYS O 1 43 SER N . . 3.000 2.894 2.862 2.933 . 0 0 "[ . 1]" 1
592 1 40 TRP H 1 40 TRP QB . . 3.240 2.173 2.121 2.262 . 0 0 "[ . 1]" 1
593 1 40 TRP H 1 41 ARG H . . 3.230 2.798 2.743 2.881 . 0 0 "[ . 1]" 1
594 1 40 TRP H 1 42 LYS H . . 4.580 4.481 4.318 4.583 0.003 4 0 "[ . 1]" 1
595 1 40 TRP H 1 44 GLN H . . 4.520 4.558 4.519 4.584 0.064 6 0 "[ . 1]" 1
596 1 40 TRP HA 1 44 GLN HE21 . . 3.990 3.323 3.204 3.507 . 0 0 "[ . 1]" 1
597 1 40 TRP QB 1 41 ARG H . . 3.760 3.372 3.079 3.554 . 0 0 "[ . 1]" 1
598 1 40 TRP QB 1 44 GLN HE21 . . 4.830 3.359 3.111 3.716 . 0 0 "[ . 1]" 1
599 1 40 TRP QB 1 44 GLN HE22 . . 5.340 4.637 4.176 5.222 . 0 0 "[ . 1]" 1
600 1 40 TRP QB 2 40 TRP HE3 . . 6.000 23.085 22.691 23.576 17.576 10 10 [******-**+] 1
601 1 40 TRP QB 2 40 TRP HH2 . . 5.500 26.024 25.304 26.612 21.112 10 10 [*******-*+] 1
602 1 40 TRP HD1 1 44 GLN HE21 . . 4.870 2.856 2.127 3.749 . 0 0 "[ . 1]" 1
603 1 40 TRP HD1 1 44 GLN HE22 . . 4.560 3.509 2.967 4.570 0.010 3 0 "[ . 1]" 1
604 1 40 TRP HD1 1 44 GLN HG2 . . 5.380 4.609 3.210 5.404 0.024 5 0 "[ . 1]" 1
605 1 41 ARG H 1 41 ARG QB . . 3.290 2.243 2.154 2.367 . 0 0 "[ . 1]" 1
606 1 41 ARG H 1 41 ARG QD . . 4.680 3.394 3.115 3.667 . 0 0 "[ . 1]" 1
607 1 41 ARG H 1 41 ARG QG . . 4.150 4.065 3.975 4.141 . 0 0 "[ . 1]" 1
608 1 41 ARG H 1 42 LYS H . . 3.340 2.279 2.114 2.560 . 0 0 "[ . 1]" 1
609 1 41 ARG H 1 42 LYS QB . . 4.540 4.168 3.950 4.554 0.014 9 0 "[ . 1]" 1
610 1 41 ARG H 1 43 SER H . . 5.470 3.906 3.477 4.273 . 0 0 "[ . 1]" 1
611 1 41 ARG H 1 44 GLN H . . 4.700 4.018 3.762 4.378 . 0 0 "[ . 1]" 1
612 1 41 ARG H 1 44 GLN HB2 . . 5.500 5.484 5.396 5.544 0.044 9 0 "[ . 1]" 1
613 1 41 ARG HA 1 41 ARG QD . . 3.490 2.744 2.333 3.391 . 0 0 "[ . 1]" 1
614 1 41 ARG HA 1 41 ARG QG . . 3.150 2.415 2.309 2.529 . 0 0 "[ . 1]" 1
615 1 41 ARG HA 1 44 GLN H . . 4.840 4.741 4.551 4.855 0.015 1 0 "[ . 1]" 1
616 1 41 ARG HA 1 44 GLN HA . . 5.500 4.770 4.362 5.280 . 0 0 "[ . 1]" 1
617 1 41 ARG HA 1 44 GLN HB2 . . 5.140 4.345 4.220 4.488 . 0 0 "[ . 1]" 1
618 1 41 ARG HA 1 44 GLN HG3 . . 4.850 4.851 4.741 4.930 0.080 9 0 "[ . 1]" 1
619 1 41 ARG QB 1 41 ARG QG . . 2.390 2.019 2.003 2.042 . 0 0 "[ . 1]" 1
620 1 41 ARG QB 1 42 LYS H . . 2.620 2.620 2.579 2.637 0.017 4 0 "[ . 1]" 1
621 1 41 ARG QB 1 44 GLN QG . . 6.000 5.405 5.004 5.719 . 0 0 "[ . 1]" 1
622 1 41 ARG QB 2 33 GLU QB . . 5.500 11.378 10.927 11.690 6.190 6 10 [**-**+****] 1
623 1 41 ARG QD 2 33 GLU QG . . 6.000 13.142 12.457 13.716 7.716 6 10 [**-**+****] 1
624 1 41 ARG QD 2 40 TRP HE3 . . 5.340 21.082 20.513 21.778 16.438 6 10 [**-**+****] 1
625 1 41 ARG QG 2 29 LYS QE . . 6.000 9.570 8.359 11.483 5.483 2 10 [*+**-*****] 1
626 1 41 ARG QG 2 29 LYS QG . . 6.000 9.638 9.380 10.087 4.087 2 10 [*+-*******] 1
627 1 42 LYS H 1 42 LYS QE . . 3.960 3.183 3.027 3.480 . 0 0 "[ . 1]" 1
628 1 42 LYS H 1 43 SER H . . 2.850 2.648 2.547 2.722 . 0 0 "[ . 1]" 1
629 1 42 LYS H 1 44 GLN H . . 4.880 3.822 3.402 4.251 . 0 0 "[ . 1]" 1
630 1 42 LYS HA 1 42 LYS QB . . 2.680 2.425 2.391 2.526 . 0 0 "[ . 1]" 1
631 1 42 LYS HA 1 42 LYS QE . . 4.660 2.078 1.991 2.324 . 0 0 "[ . 1]" 1
632 1 42 LYS HA 1 42 LYS QG . . 3.090 2.935 2.383 3.087 . 0 0 "[ . 1]" 1
633 1 42 LYS QB 1 42 LYS QE . . 3.920 3.116 2.305 3.323 . 0 0 "[ . 1]" 1
634 1 42 LYS QB 1 43 SER QB . . 5.500 3.504 3.098 3.851 . 0 0 "[ . 1]" 1
635 1 42 LYS QE 1 42 LYS QG . . 2.980 2.351 2.203 2.874 . 0 0 "[ . 1]" 1
636 1 42 LYS QE 1 43 SER H . . 5.310 4.900 4.819 5.042 . 0 0 "[ . 1]" 1
637 1 42 LYS QE 2 33 GLU QG . . 5.500 10.654 10.125 11.188 5.688 6 10 [*-***+****] 1
638 1 42 LYS QG 1 43 SER H . . 4.460 4.121 4.065 4.298 . 0 0 "[ . 1]" 1
639 1 43 SER H 1 43 SER QB . . 3.070 2.369 2.313 2.511 . 0 0 "[ . 1]" 1
640 1 43 SER H 1 44 GLN H . . 2.760 2.208 2.066 2.286 . 0 0 "[ . 1]" 1
641 1 43 SER QB 1 44 GLN H . . 4.000 2.766 2.637 2.901 . 0 0 "[ . 1]" 1
642 1 44 GLN H 1 44 GLN HB2 . . 3.380 2.967 2.834 3.030 . 0 0 "[ . 1]" 1
643 1 44 GLN H 1 44 GLN HE21 . . 4.580 4.560 4.384 4.614 0.034 4 0 "[ . 1]" 1
644 1 44 GLN H 1 44 GLN HG2 . . 4.690 4.014 3.796 4.135 . 0 0 "[ . 1]" 1
645 1 44 GLN H 1 44 GLN HG3 . . 5.460 4.990 4.825 5.097 . 0 0 "[ . 1]" 1
646 1 44 GLN H 1 45 LYS H . . 3.420 2.785 2.648 2.981 . 0 0 "[ . 1]" 1
647 1 44 GLN H 1 45 LYS QG . . 4.780 3.998 3.555 4.784 0.004 4 0 "[ . 1]" 1
648 1 44 GLN HA 1 44 GLN HE21 . . 4.050 2.403 2.295 2.473 . 0 0 "[ . 1]" 1
649 1 44 GLN HA 1 44 GLN HE22 . . 4.010 3.687 3.503 3.824 . 0 0 "[ . 1]" 1
650 1 44 GLN HA 1 44 GLN HG2 . . 3.330 2.471 2.308 2.653 . 0 0 "[ . 1]" 1
651 1 44 GLN HA 1 44 GLN HG3 . . 3.840 3.620 3.541 3.685 . 0 0 "[ . 1]" 1
652 1 44 GLN HA 1 45 LYS H . . 3.090 2.636 2.332 2.808 . 0 0 "[ . 1]" 1
653 1 44 GLN HA 1 45 LYS HA . . 4.910 4.680 4.545 4.764 . 0 0 "[ . 1]" 1
654 1 44 GLN HA 1 45 LYS QB . . 5.340 4.766 4.387 5.094 . 0 0 "[ . 1]" 1
655 1 44 GLN HA 1 45 LYS QG . . 5.340 4.262 3.918 4.897 . 0 0 "[ . 1]" 1
656 1 44 GLN HB3 1 45 LYS HA . . 5.500 5.043 4.893 5.293 . 0 0 "[ . 1]" 1
657 1 44 GLN HE21 1 44 GLN HG3 . . 3.540 3.533 3.486 3.550 0.010 9 0 "[ . 1]" 1
658 1 44 GLN HE21 1 46 GLU HA . . 5.500 5.425 4.739 5.525 0.025 6 0 "[ . 1]" 1
659 1 44 GLN HE21 1 46 GLU QG . . 5.500 4.923 4.145 5.520 0.020 8 0 "[ . 1]" 1
660 1 44 GLN HE22 1 44 GLN HG2 . . 3.810 3.562 3.520 3.601 . 0 0 "[ . 1]" 1
661 1 44 GLN HE22 1 46 GLU HA . . 5.500 4.380 3.440 4.974 . 0 0 "[ . 1]" 1
662 1 45 LYS H 1 45 LYS QD . . 3.090 2.980 2.182 3.158 0.068 8 0 "[ . 1]" 1
663 1 45 LYS H 1 45 LYS QG . . 2.920 2.159 1.942 2.516 . 0 0 "[ . 1]" 1
664 1 45 LYS HA 1 45 LYS QD . . 4.450 4.075 2.482 4.454 0.004 10 0 "[ . 1]" 1
665 1 45 LYS HA 1 45 LYS QG . . 3.690 3.015 2.363 3.457 . 0 0 "[ . 1]" 1
666 1 45 LYS QE 1 45 LYS QG . . 3.360 2.429 2.098 2.906 . 0 0 "[ . 1]" 1
667 1 46 GLU H 1 46 GLU QB . . 3.520 2.718 2.250 3.473 . 0 0 "[ . 1]" 1
668 1 46 GLU HA 1 46 GLU QG . . 3.480 2.580 2.353 3.142 . 0 0 "[ . 1]" 1
669 1 46 GLU QB 1 47 GLU H . . 4.440 2.857 1.893 3.678 . 0 0 "[ . 1]" 1
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