NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575522 |
2ru1   |
11540 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ru1
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 675
_Distance_constraint_stats_list.Viol_count 1672
_Distance_constraint_stats_list.Viol_total 10517.174
_Distance_constraint_stats_list.Viol_max 3.140
_Distance_constraint_stats_list.Viol_rms 0.2044
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0390
_Distance_constraint_stats_list.Viol_average_violations_only 0.3145
_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 PRO 0.205 0.144 6 0 "[ . 1 . 2]"
1 3 GLU 0.061 0.036 6 0 "[ . 1 . 2]"
1 4 LYS 0.144 0.144 6 0 "[ . 1 . 2]"
1 7 VAL 0.134 0.110 11 0 "[ . 1 . 2]"
1 8 LYS 0.169 0.110 11 0 "[ . 1 . 2]"
1 9 GLU 2.844 0.527 13 1 "[ . 1 + . 2]"
1 10 ILE 3.342 0.527 13 1 "[ . 1 + . 2]"
1 11 GLY 0.443 0.073 10 0 "[ . 1 . 2]"
1 12 ARG 0.108 0.055 14 0 "[ . 1 . 2]"
1 13 SER 0.394 0.078 18 0 "[ . 1 . 2]"
1 14 SER 1.349 0.078 18 0 "[ . 1 . 2]"
1 15 LYS 9.795 0.448 9 0 "[ . 1 . 2]"
1 16 ILE 2.142 0.063 2 0 "[ . 1 . 2]"
1 17 ILE 1.432 0.115 16 0 "[ . 1 . 2]"
1 18 LEU 26.139 1.197 20 17 "[ ****** *-******** +]"
1 20 ALA 0.045 0.033 20 0 "[ . 1 . 2]"
1 21 CYS 0.900 0.117 20 0 "[ . 1 . 2]"
1 22 MET 20.189 1.197 20 14 "[ ***** ** ****** +]"
1 23 HIS 0.258 0.258 20 0 "[ . 1 . 2]"
1 24 GLU 11.155 0.514 20 1 "[ . 1 . +]"
1 25 THR 5.353 0.115 16 0 "[ . 1 . 2]"
1 26 CYS 0.946 0.045 16 0 "[ . 1 . 2]"
1 27 SER 7.855 0.448 9 0 "[ . 1 . 2]"
1 28 GLY 0.266 0.042 12 0 "[ . 1 . 2]"
1 29 GLY 0.419 0.149 20 0 "[ . 1 . 2]"
1 30 PHE 0.507 0.149 20 0 "[ . 1 . 2]"
1 31 SER 2.250 0.109 10 0 "[ . 1 . 2]"
1 32 LEU 2.127 0.109 10 0 "[ . 1 . 2]"
1 33 LYS 105.712 3.140 15 20 [**************+*****]
1 34 ASN 35.759 1.096 8 20 [*****-*+************]
1 35 ASP 1.499 0.114 1 0 "[ . 1 . 2]"
1 36 CYS 9.923 0.647 18 11 "[** *.-** 1** . +**]"
1 37 TRP 1.618 0.123 12 0 "[ . 1 . 2]"
1 38 CYS 0.982 0.099 8 0 "[ . 1 . 2]"
1 39 CYS 1.800 0.492 19 0 "[ . 1 . 2]"
1 40 LEU 5.692 0.492 19 0 "[ . 1 . 2]"
1 41 ARG 24.160 2.801 11 7 "[ * . *1+ -* **2]"
1 42 LEU 130.817 2.923 16 20 [**************-+****]
1 43 LYS 60.188 2.411 19 20 [**********-*******+*]
1 44 THR 83.098 1.620 2 20 [*+***-**************]
1 45 LYS 43.842 1.217 19 20 [**-***************+*]
1 46 GLN 94.703 2.923 16 20 [**************-+****]
1 47 ALA 24.616 2.411 19 12 "[ *** **** *-* +*]"
1 48 ARG 46.321 2.801 11 17 "[ *** ****+*-*******]"
1 49 CYS 5.332 0.402 14 0 "[ . 1 . 2]"
1 50 TRP 14.398 0.756 15 12 "[ . **** **+***-*]"
1 51 LYS 16.046 0.922 2 11 "[*+**. *-*** *. *]"
1 52 GLU 0.494 0.072 19 0 "[ . 1 . 2]"
1 53 LYS 8.638 0.922 2 7 "[*+**. -1** . 2]"
1 54 GLU 5.903 0.784 4 7 "[** +. - * *. *]"
1 55 PHE 8.314 0.425 17 0 "[ . 1 . 2]"
1 56 PRO 2.907 0.262 4 0 "[ . 1 . 2]"
1 57 ASN 2.209 0.114 10 0 "[ . 1 . 2]"
1 58 ALA 21.278 0.756 15 12 "[ . **** **+***-*]"
1 59 LYS 3.137 0.311 17 0 "[ . 1 . 2]"
1 60 GLU 6.643 0.304 14 0 "[ . 1 . 2]"
1 61 LEU 23.535 0.796 20 20 [***************-***+]
1 62 CYS 14.567 0.796 20 20 [***************-***+]
1 63 PHE 0.909 0.311 17 0 "[ . 1 . 2]"
1 64 ALA 0.240 0.144 17 0 "[ . 1 . 2]"
1 65 ASN 123.458 3.140 15 20 [***-**********+*****]
1 66 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PRO 13.594 0.856 16 9 "[ - *. * 1** *+** 2]"
1 69 LEU 0.182 0.088 14 0 "[ . 1 . 2]"
1 70 GLU 0.167 0.088 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 3 GLU H . . 3.850 2.930 2.503 3.571 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HB2 1 3 GLU HA . . 4.660 4.408 4.027 4.696 0.036 6 0 "[ . 1 . 2]" 1
3 1 2 PRO HB2 1 3 GLU QB . . 3.960 3.645 3.176 3.985 0.025 1 0 "[ . 1 . 2]" 1
4 1 2 PRO HB3 1 3 GLU H . . 4.540 3.513 3.194 4.064 . 0 0 "[ . 1 . 2]" 1
5 1 2 PRO QG 1 3 GLU H . . 4.120 3.225 1.920 3.993 . 0 0 "[ . 1 . 2]" 1
6 1 2 PRO QG 1 4 LYS H . . 5.470 4.898 2.577 5.614 0.144 6 0 "[ . 1 . 2]" 1
7 1 3 GLU H 1 3 GLU QG . . 4.670 3.449 2.017 4.190 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLU H 1 4 LYS H . . 4.390 3.467 2.542 4.352 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLU HA 1 4 LYS H . . 3.230 2.547 2.151 3.009 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU HB2 1 4 LYS H . . 5.160 4.372 1.987 4.658 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU HB3 1 4 LYS H . . 5.160 4.199 3.509 4.646 . 0 0 "[ . 1 . 2]" 1
12 1 7 VAL HA 1 8 LYS H . . 2.690 2.244 2.147 2.697 0.007 11 0 "[ . 1 . 2]" 1
13 1 7 VAL HB 1 8 LYS H . . 4.290 3.929 2.142 4.400 0.110 11 0 "[ . 1 . 2]" 1
14 1 7 VAL QG 1 8 LYS H . . 3.700 2.466 2.102 3.602 . 0 0 "[ . 1 . 2]" 1
15 1 7 VAL QG 1 8 LYS HA . . 3.830 3.323 3.064 3.846 0.016 11 0 "[ . 1 . 2]" 1
16 1 8 LYS H 1 9 GLU HA . . 4.890 4.674 3.950 4.900 0.010 11 0 "[ . 1 . 2]" 1
17 1 8 LYS HA 1 9 GLU H . . 3.780 2.458 2.142 3.559 . 0 0 "[ . 1 . 2]" 1
18 1 8 LYS HA 1 9 GLU QG . . 4.280 4.057 3.376 4.287 0.007 19 0 "[ . 1 . 2]" 1
19 1 9 GLU H 1 9 GLU QB . . 3.810 2.910 2.329 3.418 . 0 0 "[ . 1 . 2]" 1
20 1 9 GLU H 1 9 GLU QG . . 4.280 2.766 2.209 3.745 . 0 0 "[ . 1 . 2]" 1
21 1 9 GLU HA 1 10 ILE H . . 3.230 2.789 2.302 3.550 0.320 13 0 "[ . 1 . 2]" 1
22 1 9 GLU HA 1 10 ILE HA . . 4.810 4.502 4.330 5.337 0.527 13 1 "[ . 1 + . 2]" 1
23 1 9 GLU HA 1 10 ILE HB . . 5.500 5.231 4.799 5.939 0.439 7 0 "[ . 1 . 2]" 1
24 1 9 GLU HA 1 10 ILE MD . . 4.910 4.057 3.062 4.900 . 0 0 "[ . 1 . 2]" 1
25 1 9 GLU HA 1 11 GLY H . . 4.950 4.421 3.652 4.967 0.017 13 0 "[ . 1 . 2]" 1
26 1 9 GLU QB 1 10 ILE H . . 3.780 2.422 1.926 3.831 0.051 6 0 "[ . 1 . 2]" 1
27 1 9 GLU QB 1 10 ILE MD . . 4.100 3.499 2.925 4.125 0.025 2 0 "[ . 1 . 2]" 1
28 1 9 GLU QB 1 10 ILE QG . . 3.990 3.594 2.240 4.005 0.015 1 0 "[ . 1 . 2]" 1
29 1 9 GLU HB2 1 10 ILE MD . . 4.770 3.901 3.168 4.775 0.005 12 0 "[ . 1 . 2]" 1
30 1 9 GLU HB3 1 10 ILE MD . . 4.770 4.381 2.974 4.808 0.038 20 0 "[ . 1 . 2]" 1
31 1 9 GLU QG 1 11 GLY H . . 5.040 4.348 2.617 5.113 0.073 10 0 "[ . 1 . 2]" 1
32 1 10 ILE H 1 10 ILE HB . . 3.720 2.964 2.619 3.678 . 0 0 "[ . 1 . 2]" 1
33 1 10 ILE H 1 10 ILE MD . . 3.660 2.805 2.374 3.669 0.009 10 0 "[ . 1 . 2]" 1
34 1 10 ILE H 1 10 ILE HG12 . . 4.270 3.243 1.963 4.275 0.005 7 0 "[ . 1 . 2]" 1
35 1 10 ILE H 1 10 ILE QG . . 3.480 2.514 1.953 2.900 . 0 0 "[ . 1 . 2]" 1
36 1 10 ILE H 1 10 ILE HG13 . . 4.270 3.282 2.391 4.273 0.003 3 0 "[ . 1 . 2]" 1
37 1 10 ILE H 1 10 ILE MG . . 4.030 3.862 3.772 4.019 . 0 0 "[ . 1 . 2]" 1
38 1 10 ILE H 1 11 GLY H . . 3.540 3.304 2.860 3.568 0.028 4 0 "[ . 1 . 2]" 1
39 1 10 ILE HA 1 10 ILE MD . . 3.800 2.967 2.017 3.801 0.001 10 0 "[ . 1 . 2]" 1
40 1 10 ILE HA 1 10 ILE HG12 . . 4.240 3.249 3.085 3.404 . 0 0 "[ . 1 . 2]" 1
41 1 10 ILE HA 1 10 ILE QG . . 3.640 2.761 2.392 3.177 . 0 0 "[ . 1 . 2]" 1
42 1 10 ILE HA 1 10 ILE HG13 . . 4.240 3.163 2.492 3.812 . 0 0 "[ . 1 . 2]" 1
43 1 10 ILE HA 1 11 GLY H . . 2.900 2.573 2.377 2.747 . 0 0 "[ . 1 . 2]" 1
44 1 10 ILE HA 1 12 ARG QB . . 5.130 4.929 4.435 5.185 0.055 14 0 "[ . 1 . 2]" 1
45 1 10 ILE HB 1 10 ILE MD . . 3.630 2.708 2.122 3.230 . 0 0 "[ . 1 . 2]" 1
46 1 10 ILE HB 1 11 GLY H . . 4.440 4.365 4.253 4.473 0.033 10 0 "[ . 1 . 2]" 1
47 1 10 ILE MD 1 10 ILE MG . . 2.750 2.438 1.955 2.819 0.069 5 0 "[ . 1 . 2]" 1
48 1 10 ILE QG 1 10 ILE MG . . 3.150 2.128 1.938 2.283 . 0 0 "[ . 1 . 2]" 1
49 1 10 ILE QG 1 11 GLY H . . 5.330 4.608 4.424 4.807 . 0 0 "[ . 1 . 2]" 1
50 1 10 ILE MG 1 11 GLY H . . 4.200 3.910 3.570 4.103 . 0 0 "[ . 1 . 2]" 1
51 1 10 ILE MG 1 11 GLY QA . . 4.310 4.074 3.773 4.300 . 0 0 "[ . 1 . 2]" 1
52 1 10 ILE MG 1 12 ARG QB . . 5.120 3.813 2.971 4.384 . 0 0 "[ . 1 . 2]" 1
53 1 10 ILE MG 1 12 ARG QD . . 4.740 3.577 2.140 4.682 . 0 0 "[ . 1 . 2]" 1
54 1 11 GLY H 1 11 GLY QA . . 2.750 2.265 2.191 2.343 . 0 0 "[ . 1 . 2]" 1
55 1 11 GLY H 1 12 ARG QG . . 4.860 4.154 3.151 4.882 0.022 14 0 "[ . 1 . 2]" 1
56 1 11 GLY QA 1 12 ARG H . . 2.770 2.356 2.119 2.798 0.028 14 0 "[ . 1 . 2]" 1
57 1 11 GLY QA 1 12 ARG HA . . 4.890 4.022 3.932 4.454 . 0 0 "[ . 1 . 2]" 1
58 1 12 ARG H 1 12 ARG HB2 . . 4.290 3.143 2.364 3.958 . 0 0 "[ . 1 . 2]" 1
59 1 12 ARG H 1 12 ARG QG . . 4.980 2.865 2.016 3.484 . 0 0 "[ . 1 . 2]" 1
60 1 12 ARG H 1 13 SER H . . 3.320 3.078 2.456 3.321 0.001 14 0 "[ . 1 . 2]" 1
61 1 12 ARG HA 1 12 ARG QG . . 3.510 2.676 2.182 3.354 . 0 0 "[ . 1 . 2]" 1
62 1 12 ARG HA 1 13 SER H . . 2.740 2.542 2.283 2.742 0.002 19 0 "[ . 1 . 2]" 1
63 1 12 ARG HA 1 13 SER QB . . 5.080 4.718 4.265 5.078 . 0 0 "[ . 1 . 2]" 1
64 1 12 ARG QB 1 12 ARG QD . . 3.240 2.179 1.939 2.456 . 0 0 "[ . 1 . 2]" 1
65 1 12 ARG QB 1 12 ARG QG . . 2.410 2.056 2.020 2.086 . 0 0 "[ . 1 . 2]" 1
66 1 12 ARG HB2 1 12 ARG QD . . 3.790 2.480 1.979 3.464 . 0 0 "[ . 1 . 2]" 1
67 1 12 ARG HB3 1 12 ARG QD . . 3.790 2.758 2.124 3.357 . 0 0 "[ . 1 . 2]" 1
68 1 13 SER H 1 13 SER QB . . 3.160 2.743 2.137 3.157 . 0 0 "[ . 1 . 2]" 1
69 1 13 SER H 1 15 LYS H . . 4.680 4.349 3.283 4.686 0.006 6 0 "[ . 1 . 2]" 1
70 1 13 SER H 1 15 LYS QD . . 3.990 3.647 2.955 3.990 . 0 0 "[ . 1 . 2]" 1
71 1 13 SER HA 1 14 SER H . . 3.140 2.669 2.240 3.218 0.078 18 0 "[ . 1 . 2]" 1
72 1 13 SER QB 1 14 SER H . . 3.420 2.658 2.136 3.478 0.058 8 0 "[ . 1 . 2]" 1
73 1 13 SER QB 1 15 LYS H . . 3.870 2.629 2.246 3.590 . 0 0 "[ . 1 . 2]" 1
74 1 13 SER QB 1 15 LYS HA . . 5.340 4.573 4.250 5.247 . 0 0 "[ . 1 . 2]" 1
75 1 13 SER QB 1 15 LYS QB . . 5.500 3.015 2.503 3.817 . 0 0 "[ . 1 . 2]" 1
76 1 13 SER QB 1 15 LYS QD . . 4.640 2.302 1.954 3.286 . 0 0 "[ . 1 . 2]" 1
77 1 13 SER QB 1 15 LYS QG . . 5.500 4.215 3.969 5.012 . 0 0 "[ . 1 . 2]" 1
78 1 14 SER H 1 14 SER QB . . 3.640 2.600 2.275 3.213 . 0 0 "[ . 1 . 2]" 1
79 1 14 SER HA 1 14 SER QB . . 2.800 2.418 2.172 2.472 . 0 0 "[ . 1 . 2]" 1
80 1 14 SER HA 1 15 LYS H . . 2.890 2.883 2.792 2.921 0.031 11 0 "[ . 1 . 2]" 1
81 1 14 SER HA 1 16 ILE MD . . 4.670 4.690 4.665 4.704 0.034 11 0 "[ . 1 . 2]" 1
82 1 14 SER QB 1 15 LYS H . . 3.900 3.820 3.782 3.894 . 0 0 "[ . 1 . 2]" 1
83 1 14 SER QB 1 16 ILE MD . . 4.620 3.807 3.612 3.952 . 0 0 "[ . 1 . 2]" 1
84 1 14 SER QB 1 16 ILE HG12 . . 4.860 3.947 3.843 4.037 . 0 0 "[ . 1 . 2]" 1
85 1 14 SER QB 1 16 ILE QG . . 4.210 3.787 3.711 3.856 . 0 0 "[ . 1 . 2]" 1
86 1 14 SER QB 1 16 ILE HG13 . . 4.860 4.880 4.852 4.896 0.036 6 0 "[ . 1 . 2]" 1
87 1 14 SER QB 1 16 ILE MG . . 5.500 4.912 4.734 5.010 . 0 0 "[ . 1 . 2]" 1
88 1 15 LYS H 1 15 LYS HA . . 2.900 2.835 2.833 2.838 . 0 0 "[ . 1 . 2]" 1
89 1 15 LYS H 1 15 LYS HB2 . . 3.630 3.579 3.577 3.581 . 0 0 "[ . 1 . 2]" 1
90 1 15 LYS H 1 15 LYS QG . . 3.570 3.179 3.164 3.194 . 0 0 "[ . 1 . 2]" 1
91 1 15 LYS H 1 16 ILE QG . . 4.820 4.258 4.218 4.281 . 0 0 "[ . 1 . 2]" 1
92 1 15 LYS HA 1 15 LYS HB3 . . 3.020 2.550 2.548 2.553 . 0 0 "[ . 1 . 2]" 1
93 1 15 LYS HA 1 15 LYS QD . . 3.980 3.857 3.849 3.862 . 0 0 "[ . 1 . 2]" 1
94 1 15 LYS HA 1 15 LYS QG . . 3.420 3.402 3.400 3.404 . 0 0 "[ . 1 . 2]" 1
95 1 15 LYS HA 1 16 ILE H . . 2.690 2.235 2.230 2.238 . 0 0 "[ . 1 . 2]" 1
96 1 15 LYS HA 1 26 CYS H . . 4.310 4.343 4.291 4.355 0.045 16 0 "[ . 1 . 2]" 1
97 1 15 LYS HA 1 27 SER HA . . 3.510 2.575 2.477 2.638 . 0 0 "[ . 1 . 2]" 1
98 1 15 LYS HB2 1 16 ILE H . . 3.130 2.949 2.937 2.962 . 0 0 "[ . 1 . 2]" 1
99 1 15 LYS HB2 1 16 ILE MG . . 5.190 5.160 5.131 5.203 0.013 15 0 "[ . 1 . 2]" 1
100 1 15 LYS HB2 1 27 SER HA . . 4.110 4.106 3.885 4.150 0.040 8 0 "[ . 1 . 2]" 1
101 1 15 LYS HB3 1 15 LYS QD . . 2.860 2.120 2.111 2.127 . 0 0 "[ . 1 . 2]" 1
102 1 15 LYS HB3 1 27 SER HA . . 4.290 3.909 3.673 3.961 . 0 0 "[ . 1 . 2]" 1
103 1 15 LYS QD 1 16 ILE MG . . 4.980 5.017 4.998 5.042 0.062 18 0 "[ . 1 . 2]" 1
104 1 15 LYS QE 1 15 LYS QG . . 3.400 2.162 1.968 2.450 . 0 0 "[ . 1 . 2]" 1
105 1 15 LYS QE 1 16 ILE MD . . 5.070 5.071 5.006 5.133 0.063 2 0 "[ . 1 . 2]" 1
106 1 15 LYS QE 1 27 SER HA . . 5.500 5.876 5.793 5.948 0.448 9 0 "[ . 1 . 2]" 1
107 1 15 LYS QG 1 16 ILE QG . . 4.490 4.323 4.277 4.349 . 0 0 "[ . 1 . 2]" 1
108 1 15 LYS QG 1 16 ILE MG . . 3.980 3.745 3.676 3.831 . 0 0 "[ . 1 . 2]" 1
109 1 16 ILE H 1 16 ILE HG12 . . 3.650 3.069 2.972 3.144 . 0 0 "[ . 1 . 2]" 1
110 1 16 ILE H 1 16 ILE QG . . 3.800 2.491 2.478 2.512 . 0 0 "[ . 1 . 2]" 1
111 1 16 ILE H 1 16 ILE HG13 . . 3.650 2.636 2.597 2.709 . 0 0 "[ . 1 . 2]" 1
112 1 16 ILE H 1 16 ILE MG . . 3.960 3.762 3.746 3.781 . 0 0 "[ . 1 . 2]" 1
113 1 16 ILE H 1 17 ILE H . . 4.440 4.363 4.357 4.368 . 0 0 "[ . 1 . 2]" 1
114 1 16 ILE H 1 26 CYS H . . 3.660 2.797 2.755 2.823 . 0 0 "[ . 1 . 2]" 1
115 1 16 ILE HA 1 17 ILE H . . 2.480 2.478 2.442 2.530 0.050 12 0 "[ . 1 . 2]" 1
116 1 16 ILE HA 1 17 ILE MD . . 4.670 2.966 2.879 3.495 . 0 0 "[ . 1 . 2]" 1
117 1 16 ILE HB 1 16 ILE MD . . 3.550 2.255 2.224 2.291 . 0 0 "[ . 1 . 2]" 1
118 1 16 ILE HB 1 17 ILE H . . 3.520 2.328 2.224 2.420 . 0 0 "[ . 1 . 2]" 1
119 1 16 ILE QG 1 16 ILE MG . . 3.260 2.187 2.152 2.223 . 0 0 "[ . 1 . 2]" 1
120 1 16 ILE QG 1 26 CYS QB . . 4.580 3.634 3.427 3.891 . 0 0 "[ . 1 . 2]" 1
121 1 16 ILE HG13 1 26 CYS QB . . 5.190 3.719 3.500 3.997 . 0 0 "[ . 1 . 2]" 1
122 1 16 ILE MG 1 17 ILE H . . 3.190 2.950 2.891 2.994 . 0 0 "[ . 1 . 2]" 1
123 1 17 ILE H 1 17 ILE MD . . 3.540 1.880 1.814 1.902 . 0 0 "[ . 1 . 2]" 1
124 1 17 ILE H 1 17 ILE HG12 . . 4.040 2.596 2.483 3.555 . 0 0 "[ . 1 . 2]" 1
125 1 17 ILE H 1 17 ILE QG . . 3.290 2.548 2.449 3.313 0.023 11 0 "[ . 1 . 2]" 1
126 1 17 ILE H 1 17 ILE HG13 . . 4.040 3.792 3.733 3.954 . 0 0 "[ . 1 . 2]" 1
127 1 17 ILE HA 1 17 ILE MD . . 3.780 3.574 3.503 3.615 . 0 0 "[ . 1 . 2]" 1
128 1 17 ILE HA 1 17 ILE HG12 . . 4.390 3.584 3.573 3.589 . 0 0 "[ . 1 . 2]" 1
129 1 17 ILE HA 1 17 ILE HG13 . . 4.390 4.218 4.208 4.232 . 0 0 "[ . 1 . 2]" 1
130 1 17 ILE HA 1 18 LEU H . . 2.590 2.416 2.408 2.430 . 0 0 "[ . 1 . 2]" 1
131 1 17 ILE HA 1 25 THR HA . . 3.090 1.995 1.955 2.065 . 0 0 "[ . 1 . 2]" 1
132 1 17 ILE HA 1 25 THR HB . . 4.770 4.831 4.792 4.885 0.115 16 0 "[ . 1 . 2]" 1
133 1 17 ILE HA 1 25 THR MG . . 4.470 2.816 2.708 2.921 . 0 0 "[ . 1 . 2]" 1
134 1 17 ILE HB 1 18 LEU QB . . 4.680 4.596 4.522 4.680 0.000 11 0 "[ . 1 . 2]" 1
135 1 17 ILE HB 1 24 GLU H . . 3.780 3.630 3.495 3.796 0.016 8 0 "[ . 1 . 2]" 1
136 1 18 LEU H 1 18 LEU HB2 . . 3.590 3.093 2.888 3.325 . 0 0 "[ . 1 . 2]" 1
137 1 18 LEU H 1 18 LEU HB3 . . 2.840 2.736 2.624 2.812 . 0 0 "[ . 1 . 2]" 1
138 1 18 LEU H 1 18 LEU QD . . 3.810 3.697 3.576 3.825 0.015 7 0 "[ . 1 . 2]" 1
139 1 18 LEU H 1 24 GLU H . . 3.680 3.578 3.516 3.775 0.095 20 0 "[ . 1 . 2]" 1
140 1 18 LEU H 1 25 THR HA . . 3.920 3.586 3.559 3.646 . 0 0 "[ . 1 . 2]" 1
141 1 18 LEU H 1 68 PRO QD . . 5.500 5.430 5.074 5.773 0.273 20 0 "[ . 1 . 2]" 1
142 1 18 LEU HA 1 18 LEU MD1 . . 3.870 3.589 3.407 3.797 . 0 0 "[ . 1 . 2]" 1
143 1 18 LEU HA 1 18 LEU MD2 . . 3.970 2.374 1.938 3.002 . 0 0 "[ . 1 . 2]" 1
144 1 18 LEU HA 1 18 LEU HG . . 3.680 3.132 2.440 3.679 . 0 0 "[ . 1 . 2]" 1
145 1 18 LEU HA 1 24 GLU QG . . 4.500 4.125 3.932 4.325 . 0 0 "[ . 1 . 2]" 1
146 1 18 LEU HA 1 68 PRO QD . . 4.120 3.412 2.953 3.766 . 0 0 "[ . 1 . 2]" 1
147 1 18 LEU HB2 1 68 PRO QB . . 5.500 5.977 5.698 6.356 0.856 16 9 "[ - *. * 1** *+** 2]" 1
148 1 18 LEU HB2 1 68 PRO QD . . 4.530 3.147 2.822 3.513 . 0 0 "[ . 1 . 2]" 1
149 1 18 LEU HB3 1 18 LEU QD . . 2.740 2.021 1.988 2.050 . 0 0 "[ . 1 . 2]" 1
150 1 18 LEU HB3 1 68 PRO QD . . 4.810 4.283 3.992 4.482 . 0 0 "[ . 1 . 2]" 1
151 1 18 LEU QD 1 22 MET QB . . 5.460 6.071 5.420 6.657 1.197 20 14 "[ ***** *- ****** +]" 1
152 1 18 LEU QD 1 24 GLU HB2 . . 4.650 4.571 4.254 4.690 0.040 6 0 "[ . 1 . 2]" 1
153 1 18 LEU QD 1 24 GLU QG . . 4.320 2.907 2.289 3.261 . 0 0 "[ . 1 . 2]" 1
154 1 18 LEU QD 1 68 PRO HA . . 4.610 4.412 3.997 4.702 0.092 9 0 "[ . 1 . 2]" 1
155 1 18 LEU QD 1 68 PRO QD . . 4.530 2.176 1.899 2.546 . 0 0 "[ . 1 . 2]" 1
156 1 18 LEU QD 1 68 PRO QG . . 4.610 3.198 2.530 3.803 . 0 0 "[ . 1 . 2]" 1
157 1 18 LEU HG 1 68 PRO HA . . 5.020 5.109 4.863 5.228 0.208 4 0 "[ . 1 . 2]" 1
158 1 20 ALA H 1 21 CYS HA . . 4.590 4.345 4.164 4.623 0.033 20 0 "[ . 1 . 2]" 1
159 1 20 ALA HA 1 21 CYS H . . 3.610 3.553 3.545 3.572 . 0 0 "[ . 1 . 2]" 1
160 1 21 CYS H 1 22 MET HA . . 4.490 4.531 4.468 4.607 0.117 20 0 "[ . 1 . 2]" 1
161 1 21 CYS HA 1 22 MET H . . 3.580 3.497 3.056 3.550 . 0 0 "[ . 1 . 2]" 1
162 1 22 MET HA 1 23 HIS H . . 3.250 2.769 2.675 3.508 0.258 20 0 "[ . 1 . 2]" 1
163 1 22 MET HA 1 24 GLU H . . 5.500 5.826 5.661 6.014 0.514 20 1 "[ . 1 . +]" 1
164 1 22 MET QB 1 23 HIS H . . 3.670 2.178 1.857 2.341 . 0 0 "[ . 1 . 2]" 1
165 1 22 MET HB2 1 23 HIS H . . 4.120 3.585 3.393 3.617 . 0 0 "[ . 1 . 2]" 1
166 1 22 MET HB2 1 38 CYS H . . 5.090 2.612 1.940 4.458 . 0 0 "[ . 1 . 2]" 1
167 1 22 MET HB2 1 42 LEU QD . . 5.020 4.503 3.095 5.108 0.088 19 0 "[ . 1 . 2]" 1
168 1 22 MET HB3 1 23 HIS H . . 4.220 2.198 1.865 2.371 . 0 0 "[ . 1 . 2]" 1
169 1 22 MET HB3 1 38 CYS H . . 5.090 3.077 2.615 3.442 . 0 0 "[ . 1 . 2]" 1
170 1 22 MET QG 1 23 HIS H . . 4.390 2.330 1.923 3.262 . 0 0 "[ . 1 . 2]" 1
171 1 22 MET HG2 1 23 HIS H . . 5.050 2.778 1.947 3.511 . 0 0 "[ . 1 . 2]" 1
172 1 22 MET HG3 1 23 HIS H . . 5.050 3.163 1.937 4.057 . 0 0 "[ . 1 . 2]" 1
173 1 23 HIS H 1 23 HIS HB2 . . 3.800 2.359 2.255 2.522 . 0 0 "[ . 1 . 2]" 1
174 1 23 HIS H 1 23 HIS QB . . 3.260 2.329 2.231 2.483 . 0 0 "[ . 1 . 2]" 1
175 1 23 HIS H 1 23 HIS HB3 . . 3.800 3.589 3.474 3.707 . 0 0 "[ . 1 . 2]" 1
176 1 23 HIS H 1 23 HIS HD2 . . 4.230 3.425 2.725 4.139 . 0 0 "[ . 1 . 2]" 1
177 1 23 HIS HA 1 24 GLU H . . 3.160 2.153 2.142 2.160 . 0 0 "[ . 1 . 2]" 1
178 1 23 HIS QB 1 24 GLU H . . 4.070 3.548 3.421 3.608 . 0 0 "[ . 1 . 2]" 1
179 1 23 HIS HB2 1 24 GLU H . . 4.570 4.495 4.409 4.569 . 0 0 "[ . 1 . 2]" 1
180 1 23 HIS HB3 1 24 GLU H . . 4.570 3.716 3.565 3.779 . 0 0 "[ . 1 . 2]" 1
181 1 24 GLU H 1 24 GLU HB3 . . 3.800 3.245 3.187 3.476 . 0 0 "[ . 1 . 2]" 1
182 1 24 GLU H 1 24 GLU QG . . 4.050 1.969 1.898 2.283 . 0 0 "[ . 1 . 2]" 1
183 1 24 GLU H 1 25 THR H . . 4.390 4.472 4.393 4.482 0.092 4 0 "[ . 1 . 2]" 1
184 1 24 GLU H 1 37 TRP HA . . 5.200 4.823 4.396 5.270 0.070 14 0 "[ . 1 . 2]" 1
185 1 24 GLU HA 1 24 GLU QG . . 3.510 3.342 3.325 3.380 . 0 0 "[ . 1 . 2]" 1
186 1 24 GLU HA 1 25 THR H . . 3.260 2.416 2.385 2.424 . 0 0 "[ . 1 . 2]" 1
187 1 24 GLU HB2 1 25 THR H . . 3.500 2.389 2.371 2.462 . 0 0 "[ . 1 . 2]" 1
188 1 24 GLU HB2 1 35 ASP H . . 4.850 4.275 4.181 4.387 . 0 0 "[ . 1 . 2]" 1
189 1 24 GLU HB3 1 25 THR H . . 3.650 3.656 3.620 3.693 0.043 7 0 "[ . 1 . 2]" 1
190 1 24 GLU HB3 1 35 ASP H . . 5.430 5.504 5.457 5.544 0.114 1 0 "[ . 1 . 2]" 1
191 1 24 GLU QG 1 25 THR H . . 3.660 3.706 3.636 3.770 0.110 20 0 "[ . 1 . 2]" 1
192 1 25 THR H 1 25 THR HB . . 3.410 3.121 3.057 3.165 . 0 0 "[ . 1 . 2]" 1
193 1 25 THR H 1 25 THR MG . . 4.130 4.033 4.014 4.049 . 0 0 "[ . 1 . 2]" 1
194 1 25 THR H 1 35 ASP H . . 3.800 2.110 2.012 2.466 . 0 0 "[ . 1 . 2]" 1
195 1 25 THR H 1 65 ASN QD . . 5.120 2.462 1.995 3.300 . 0 0 "[ . 1 . 2]" 1
196 1 25 THR HA 1 25 THR MG . . 3.410 2.184 2.137 2.203 . 0 0 "[ . 1 . 2]" 1
197 1 25 THR HA 1 26 CYS H . . 3.270 2.395 2.377 2.424 . 0 0 "[ . 1 . 2]" 1
198 1 25 THR HB 1 34 ASN H . . 4.790 4.740 4.533 4.819 0.029 12 0 "[ . 1 . 2]" 1
199 1 25 THR MG 1 26 CYS QB . . 4.850 4.041 4.023 4.085 . 0 0 "[ . 1 . 2]" 1
200 1 25 THR MG 1 27 SER H . . 4.780 4.718 4.647 4.811 0.031 13 0 "[ . 1 . 2]" 1
201 1 25 THR MG 1 27 SER QB . . 3.830 3.557 3.464 3.708 . 0 0 "[ . 1 . 2]" 1
202 1 25 THR MG 1 34 ASN H . . 5.210 5.264 5.194 5.300 0.090 16 0 "[ . 1 . 2]" 1
203 1 25 THR MG 1 35 ASP H . . 4.440 3.799 3.594 4.456 0.016 15 0 "[ . 1 . 2]" 1
204 1 25 THR MG 1 35 ASP QB . . 5.010 3.636 3.446 3.843 . 0 0 "[ . 1 . 2]" 1
205 1 26 CYS HA 1 27 SER H . . 2.970 2.236 2.230 2.244 . 0 0 "[ . 1 . 2]" 1
206 1 26 CYS HA 1 27 SER HA . . 4.640 4.482 4.478 4.484 . 0 0 "[ . 1 . 2]" 1
207 1 26 CYS HA 1 34 ASN HA . . 3.540 2.277 2.130 2.337 . 0 0 "[ . 1 . 2]" 1
208 1 26 CYS QB 1 27 SER H . . 3.870 3.447 3.384 3.531 . 0 0 "[ . 1 . 2]" 1
209 1 26 CYS QB 1 28 GLY H . . 5.500 5.475 5.162 5.542 0.042 12 0 "[ . 1 . 2]" 1
210 1 26 CYS QB 1 35 ASP H . . 5.030 4.561 4.413 4.668 . 0 0 "[ . 1 . 2]" 1
211 1 26 CYS QB 1 66 CYS QB . . 4.010 3.472 3.216 3.639 . 0 0 "[ . 1 . 2]" 1
212 1 27 SER H 1 28 GLY H . . 4.140 3.981 3.847 4.075 . 0 0 "[ . 1 . 2]" 1
213 1 27 SER H 1 33 LYS H . . 3.980 3.273 3.158 3.394 . 0 0 "[ . 1 . 2]" 1
214 1 27 SER HA 1 28 GLY H . . 3.250 2.148 2.142 2.161 . 0 0 "[ . 1 . 2]" 1
215 1 28 GLY H 1 28 GLY QA . . 2.500 2.430 2.388 2.458 . 0 0 "[ . 1 . 2]" 1
216 1 28 GLY QA 1 29 GLY H . . 2.850 2.365 2.115 2.701 . 0 0 "[ . 1 . 2]" 1
217 1 28 GLY QA 1 32 LEU HA . . 3.600 2.605 2.196 2.962 . 0 0 "[ . 1 . 2]" 1
218 1 28 GLY QA 1 32 LEU QD . . 5.110 3.128 2.113 3.985 . 0 0 "[ . 1 . 2]" 1
219 1 29 GLY H 1 29 GLY QA . . 2.510 2.451 2.372 2.502 . 0 0 "[ . 1 . 2]" 1
220 1 29 GLY H 1 30 PHE H . . 3.490 2.120 1.900 2.550 . 0 0 "[ . 1 . 2]" 1
221 1 29 GLY H 1 30 PHE QB . . 5.060 4.463 4.109 4.702 . 0 0 "[ . 1 . 2]" 1
222 1 29 GLY H 1 32 LEU H . . 3.770 2.888 2.620 3.181 . 0 0 "[ . 1 . 2]" 1
223 1 29 GLY H 1 32 LEU HA . . 4.570 3.622 2.942 3.968 . 0 0 "[ . 1 . 2]" 1
224 1 29 GLY H 1 32 LEU QB . . 5.140 3.953 3.272 5.128 . 0 0 "[ . 1 . 2]" 1
225 1 29 GLY QA 1 30 PHE H . . 2.780 2.668 2.428 2.807 0.027 10 0 "[ . 1 . 2]" 1
226 1 29 GLY QA 1 30 PHE HA . . 4.080 4.056 3.962 4.118 0.038 10 0 "[ . 1 . 2]" 1
227 1 29 GLY QA 1 30 PHE HB2 . . 4.390 4.077 3.900 4.333 . 0 0 "[ . 1 . 2]" 1
228 1 29 GLY QA 1 30 PHE QB . . 4.090 3.743 3.654 3.897 . 0 0 "[ . 1 . 2]" 1
229 1 29 GLY QA 1 30 PHE HB3 . . 4.390 4.367 4.246 4.539 0.149 20 0 "[ . 1 . 2]" 1
230 1 30 PHE H 1 30 PHE HB2 . . 3.700 3.349 3.033 3.635 . 0 0 "[ . 1 . 2]" 1
231 1 30 PHE H 1 30 PHE QB . . 3.170 2.695 2.328 2.958 . 0 0 "[ . 1 . 2]" 1
232 1 30 PHE H 1 30 PHE HB3 . . 3.700 2.845 2.418 3.133 . 0 0 "[ . 1 . 2]" 1
233 1 30 PHE H 1 30 PHE QD . . 4.580 4.361 4.156 4.494 . 0 0 "[ . 1 . 2]" 1
234 1 30 PHE H 1 31 SER H . . 4.060 2.000 1.880 2.628 . 0 0 "[ . 1 . 2]" 1
235 1 30 PHE H 1 31 SER HA . . 5.300 4.545 4.379 5.049 . 0 0 "[ . 1 . 2]" 1
236 1 30 PHE HA 1 30 PHE QD . . 4.260 2.631 2.232 2.991 . 0 0 "[ . 1 . 2]" 1
237 1 30 PHE HA 1 31 SER H . . 4.410 3.511 3.062 3.570 . 0 0 "[ . 1 . 2]" 1
238 1 30 PHE QB 1 31 SER H . . 4.890 2.598 2.110 3.669 . 0 0 "[ . 1 . 2]" 1
239 1 30 PHE HB2 1 31 SER H . . 4.370 3.921 3.630 4.458 0.088 20 0 "[ . 1 . 2]" 1
240 1 30 PHE HB3 1 31 SER H . . 4.370 2.644 2.124 3.905 . 0 0 "[ . 1 . 2]" 1
241 1 30 PHE QD 1 31 SER H . . 4.950 3.527 2.539 4.831 . 0 0 "[ . 1 . 2]" 1
242 1 31 SER H 1 31 SER HB2 . . 4.000 2.265 2.117 2.757 . 0 0 "[ . 1 . 2]" 1
243 1 31 SER H 1 31 SER QB . . 3.140 2.235 2.093 2.661 . 0 0 "[ . 1 . 2]" 1
244 1 31 SER H 1 31 SER HB3 . . 4.000 3.471 3.048 3.649 . 0 0 "[ . 1 . 2]" 1
245 1 31 SER H 1 32 LEU H . . 3.120 2.373 1.886 2.620 . 0 0 "[ . 1 . 2]" 1
246 1 31 SER H 1 32 LEU HB2 . . 5.150 4.876 4.564 5.157 0.007 15 0 "[ . 1 . 2]" 1
247 1 31 SER H 1 32 LEU QB . . 4.600 4.448 4.228 4.598 . 0 0 "[ . 1 . 2]" 1
248 1 31 SER H 1 32 LEU HB3 . . 5.150 5.148 4.994 5.228 0.078 10 0 "[ . 1 . 2]" 1
249 1 31 SER HA 1 32 LEU HA . . 5.240 5.333 5.281 5.349 0.109 10 0 "[ . 1 . 2]" 1
250 1 31 SER HA 1 32 LEU QB . . 4.590 4.131 4.039 4.585 . 0 0 "[ . 1 . 2]" 1
251 1 31 SER QB 1 32 LEU H . . 3.300 2.714 2.497 2.987 . 0 0 "[ . 1 . 2]" 1
252 1 31 SER QB 1 33 LYS H . . 4.410 3.959 3.114 4.426 0.016 10 0 "[ . 1 . 2]" 1
253 1 31 SER HB2 1 32 LEU H . . 3.840 2.928 2.563 3.383 . 0 0 "[ . 1 . 2]" 1
254 1 31 SER HB2 1 33 LYS H . . 5.090 4.737 4.025 5.091 0.001 7 0 "[ . 1 . 2]" 1
255 1 31 SER HB3 1 32 LEU H . . 3.840 3.322 2.751 3.770 . 0 0 "[ . 1 . 2]" 1
256 1 31 SER HB3 1 33 LYS H . . 5.090 4.320 3.225 5.090 . 0 0 "[ . 1 . 2]" 1
257 1 32 LEU H 1 32 LEU QD . . 4.580 3.881 2.486 4.173 . 0 0 "[ . 1 . 2]" 1
258 1 32 LEU H 1 33 LYS H . . 3.810 3.319 2.850 3.540 . 0 0 "[ . 1 . 2]" 1
259 1 32 LEU H 1 33 LYS QG . . 4.200 3.938 3.646 4.149 . 0 0 "[ . 1 . 2]" 1
260 1 32 LEU HA 1 32 LEU QD . . 3.340 2.530 1.985 3.043 . 0 0 "[ . 1 . 2]" 1
261 1 32 LEU HA 1 33 LYS H . . 4.810 2.313 2.186 2.587 . 0 0 "[ . 1 . 2]" 1
262 1 33 LYS H 1 33 LYS QB . . 3.300 3.147 2.869 3.379 0.079 5 0 "[ . 1 . 2]" 1
263 1 33 LYS H 1 33 LYS QG . . 4.160 2.806 2.593 3.077 . 0 0 "[ . 1 . 2]" 1
264 1 33 LYS H 1 34 ASN H . . 4.510 4.360 4.328 4.398 . 0 0 "[ . 1 . 2]" 1
265 1 33 LYS H 1 34 ASN QD . . 5.340 4.467 3.206 5.384 0.044 18 0 "[ . 1 . 2]" 1
266 1 33 LYS HA 1 33 LYS QG . . 3.760 3.054 2.493 3.350 . 0 0 "[ . 1 . 2]" 1
267 1 33 LYS HA 1 34 ASN H . . 2.710 2.456 2.336 2.604 . 0 0 "[ . 1 . 2]" 1
268 1 33 LYS HA 1 65 ASN QD . . 4.250 7.238 7.118 7.390 3.140 15 20 [**********-***+*****] 1
269 1 33 LYS QB 1 34 ASN H . . 3.660 2.325 2.055 2.578 . 0 0 "[ . 1 . 2]" 1
270 1 33 LYS QB 1 65 ASN QD . . 4.720 6.831 6.397 7.078 2.358 2 20 [*+************-*****] 1
271 1 33 LYS QE 1 34 ASN H . . 4.490 4.112 3.214 4.495 0.005 8 0 "[ . 1 . 2]" 1
272 1 33 LYS QG 1 34 ASN H . . 3.620 3.774 3.435 3.970 0.350 20 0 "[ . 1 . 2]" 1
273 1 34 ASN H 1 35 ASP H . . 4.600 4.162 3.871 4.329 . 0 0 "[ . 1 . 2]" 1
274 1 34 ASN H 1 35 ASP HA . . 5.500 4.526 4.444 4.684 . 0 0 "[ . 1 . 2]" 1
275 1 34 ASN H 1 65 ASN QD . . 4.480 5.540 5.514 5.576 1.096 8 20 [***-***+************] 1
276 1 34 ASN HA 1 34 ASN QD . . 4.330 3.830 3.201 4.138 . 0 0 "[ . 1 . 2]" 1
277 1 34 ASN HA 1 35 ASP H . . 3.530 2.214 2.139 2.389 . 0 0 "[ . 1 . 2]" 1
278 1 34 ASN HA 1 35 ASP QB . . 5.500 4.004 3.876 4.087 . 0 0 "[ . 1 . 2]" 1
279 1 34 ASN HA 1 36 CYS H . . 5.500 5.995 5.702 6.147 0.647 18 11 "[** *.-** 1** . +**]" 1
280 1 35 ASP H 1 35 ASP QB . . 3.860 2.328 2.172 2.640 . 0 0 "[ . 1 . 2]" 1
281 1 35 ASP H 1 65 ASN QD . . 4.950 2.789 1.923 3.160 . 0 0 "[ . 1 . 2]" 1
282 1 35 ASP HA 1 36 CYS H . . 3.220 2.150 2.140 2.174 . 0 0 "[ . 1 . 2]" 1
283 1 36 CYS H 1 36 CYS QB . . 3.890 2.168 2.043 2.571 . 0 0 "[ . 1 . 2]" 1
284 1 36 CYS HA 1 37 TRP H . . 3.550 2.531 2.389 2.680 . 0 0 "[ . 1 . 2]" 1
285 1 36 CYS HA 1 65 ASN QD . . 5.500 3.495 2.983 3.972 . 0 0 "[ . 1 . 2]" 1
286 1 36 CYS QB 1 37 TRP H . . 3.610 2.315 1.960 2.747 . 0 0 "[ . 1 . 2]" 1
287 1 36 CYS QB 1 65 ASN QB . . 5.380 5.039 4.412 5.404 0.024 20 0 "[ . 1 . 2]" 1
288 1 37 TRP H 1 38 CYS H . . 4.750 4.388 4.318 4.443 . 0 0 "[ . 1 . 2]" 1
289 1 37 TRP H 1 65 ASN QB . . 4.770 4.124 3.548 4.703 . 0 0 "[ . 1 . 2]" 1
290 1 37 TRP HA 1 38 CYS H . . 3.210 2.686 2.599 2.772 . 0 0 "[ . 1 . 2]" 1
291 1 37 TRP QB 1 38 CYS H . . 3.580 1.916 1.835 2.012 . 0 0 "[ . 1 . 2]" 1
292 1 37 TRP HD1 1 65 ASN HB2 . . 4.670 2.592 2.115 3.164 . 0 0 "[ . 1 . 2]" 1
293 1 37 TRP HD1 1 65 ASN HB3 . . 4.670 3.392 2.650 4.674 0.004 14 0 "[ . 1 . 2]" 1
294 1 37 TRP HE1 1 61 LEU HA . . 4.760 3.919 3.607 4.128 . 0 0 "[ . 1 . 2]" 1
295 1 37 TRP HE1 1 61 LEU HB2 . . 4.510 2.862 2.420 3.467 . 0 0 "[ . 1 . 2]" 1
296 1 37 TRP HE1 1 61 LEU HB3 . . 4.510 2.012 1.913 2.279 . 0 0 "[ . 1 . 2]" 1
297 1 37 TRP HE1 1 61 LEU QD . . 4.490 3.129 2.712 3.454 . 0 0 "[ . 1 . 2]" 1
298 1 37 TRP HE1 1 61 LEU HG . . 4.780 4.845 4.787 4.903 0.123 12 0 "[ . 1 . 2]" 1
299 1 37 TRP HE1 1 65 ASN H . . 5.110 4.960 4.402 5.144 0.034 8 0 "[ . 1 . 2]" 1
300 1 37 TRP HE1 1 65 ASN QB . . 4.610 3.606 3.059 4.082 . 0 0 "[ . 1 . 2]" 1
301 1 38 CYS H 1 39 CYS H . . 4.550 4.567 4.321 4.649 0.099 8 0 "[ . 1 . 2]" 1
302 1 38 CYS HA 1 39 CYS H . . 3.130 2.340 2.145 2.662 . 0 0 "[ . 1 . 2]" 1
303 1 38 CYS HA 1 39 CYS HA . . 4.880 4.393 4.309 4.637 . 0 0 "[ . 1 . 2]" 1
304 1 39 CYS HA 1 40 LEU H . . 2.810 2.717 2.185 3.302 0.492 19 0 "[ . 1 . 2]" 1
305 1 39 CYS QB 1 40 LEU H . . 3.400 2.192 1.882 3.314 . 0 0 "[ . 1 . 2]" 1
306 1 39 CYS HB2 1 40 LEU H . . 4.020 3.388 1.890 4.254 0.234 19 0 "[ . 1 . 2]" 1
307 1 39 CYS HB3 1 40 LEU H . . 4.020 2.404 1.907 4.090 0.070 3 0 "[ . 1 . 2]" 1
308 1 40 LEU H 1 40 LEU QB . . 3.000 2.211 2.028 3.059 0.059 19 0 "[ . 1 . 2]" 1
309 1 40 LEU H 1 40 LEU QD . . 4.580 3.368 2.076 3.741 . 0 0 "[ . 1 . 2]" 1
310 1 40 LEU HA 1 41 ARG HA . . 4.800 4.633 4.330 4.718 . 0 0 "[ . 1 . 2]" 1
311 1 40 LEU HA 1 49 CYS HA . . 4.420 4.629 3.785 4.822 0.402 14 0 "[ . 1 . 2]" 1
312 1 41 ARG HA 1 42 LEU H . . 3.340 2.249 2.142 2.482 . 0 0 "[ . 1 . 2]" 1
313 1 41 ARG HA 1 42 LEU QD . . 3.870 3.161 2.701 3.505 . 0 0 "[ . 1 . 2]" 1
314 1 41 ARG QB 1 42 LEU H . . 3.520 3.081 2.426 3.961 0.441 19 0 "[ . 1 . 2]" 1
315 1 41 ARG QB 1 42 LEU QD . . 4.270 4.356 4.019 4.618 0.348 19 0 "[ . 1 . 2]" 1
316 1 41 ARG HB2 1 42 LEU H . . 4.160 3.217 2.454 4.302 0.142 19 0 "[ . 1 . 2]" 1
317 1 41 ARG HB3 1 42 LEU H . . 4.160 4.144 3.795 4.633 0.473 19 0 "[ . 1 . 2]" 1
318 1 41 ARG QD 1 48 ARG HA . . 5.400 5.347 4.401 5.539 0.139 5 0 "[ . 1 . 2]" 1
319 1 41 ARG QD 1 48 ARG QB . . 3.790 2.937 1.925 3.687 . 0 0 "[ . 1 . 2]" 1
320 1 41 ARG QD 1 48 ARG HG2 . . 4.250 3.936 3.057 4.393 0.143 18 0 "[ . 1 . 2]" 1
321 1 41 ARG QD 1 48 ARG QG . . 3.740 3.061 1.962 3.912 0.172 11 0 "[ . 1 . 2]" 1
322 1 41 ARG QD 1 48 ARG HG3 . . 4.250 3.335 1.985 4.395 0.145 11 0 "[ . 1 . 2]" 1
323 1 41 ARG QG 1 48 ARG HA . . 4.500 5.198 4.238 7.301 2.801 11 7 "[ * . *1+ -* **2]" 1
324 1 42 LEU H 1 42 LEU QD . . 3.860 2.802 1.881 3.137 . 0 0 "[ . 1 . 2]" 1
325 1 42 LEU H 1 43 LYS H . . 4.390 4.360 4.264 4.621 0.231 19 0 "[ . 1 . 2]" 1
326 1 42 LEU H 1 48 ARG H . . 5.290 5.178 4.682 6.105 0.815 5 2 "[ + 1- . 2]" 1
327 1 42 LEU HA 1 42 LEU QD . . 3.480 3.364 3.277 3.442 . 0 0 "[ . 1 . 2]" 1
328 1 42 LEU HA 1 43 LYS H . . 3.050 2.367 2.213 2.666 . 0 0 "[ . 1 . 2]" 1
329 1 42 LEU HA 1 43 LYS HA . . 5.290 4.401 4.336 4.528 . 0 0 "[ . 1 . 2]" 1
330 1 42 LEU HA 1 43 LYS QG . . 4.340 3.861 3.177 5.820 1.480 2 1 "[ + . 1 . 2]" 1
331 1 42 LEU HA 1 47 ALA HA . . 5.020 4.500 2.537 4.923 . 0 0 "[ . 1 . 2]" 1
332 1 42 LEU HA 1 47 ALA MB . . 3.220 2.133 1.865 4.320 1.100 19 2 "[ . 1 .- +2]" 1
333 1 42 LEU HA 1 48 ARG H . . 3.250 3.692 2.857 4.440 1.190 5 10 "[ + -**1* *. ****]" 1
334 1 42 LEU QB 1 42 LEU QD . . 2.790 1.747 1.715 1.852 . 0 0 "[ . 1 . 2]" 1
335 1 42 LEU QB 1 42 LEU HG . . 2.400 2.511 2.443 2.532 0.132 17 0 "[ . 1 . 2]" 1
336 1 42 LEU QB 1 43 LYS H . . 3.830 2.523 1.905 2.883 . 0 0 "[ . 1 . 2]" 1
337 1 42 LEU QB 1 43 LYS HA . . 4.630 4.329 4.113 4.421 . 0 0 "[ . 1 . 2]" 1
338 1 42 LEU QB 1 43 LYS QG . . 5.500 4.266 3.511 5.605 0.105 2 0 "[ . 1 . 2]" 1
339 1 42 LEU QB 1 44 THR MG . . 5.500 3.861 3.540 4.195 . 0 0 "[ . 1 . 2]" 1
340 1 42 LEU QB 1 45 LYS H . . 5.390 2.650 2.196 3.721 . 0 0 "[ . 1 . 2]" 1
341 1 42 LEU QB 1 45 LYS HA . . 4.330 3.356 3.051 3.983 . 0 0 "[ . 1 . 2]" 1
342 1 42 LEU QB 1 46 GLN H . . 4.500 3.140 2.667 3.737 . 0 0 "[ . 1 . 2]" 1
343 1 42 LEU QB 1 46 GLN QB . . 4.770 4.304 4.131 4.640 . 0 0 "[ . 1 . 2]" 1
344 1 42 LEU QB 1 47 ALA HA . . 5.490 4.457 1.999 4.734 . 0 0 "[ . 1 . 2]" 1
345 1 42 LEU QB 1 47 ALA MB . . 3.430 2.551 2.096 2.948 . 0 0 "[ . 1 . 2]" 1
346 1 42 LEU QB 1 48 ARG H . . 3.490 3.734 3.226 4.594 1.104 19 4 "[ * 1* - . +2]" 1
347 1 42 LEU QD 1 43 LYS H . . 3.770 3.730 3.141 4.063 0.293 12 0 "[ . 1 . 2]" 1
348 1 42 LEU QD 1 43 LYS HA . . 3.820 4.450 4.029 4.862 1.042 2 15 "[*+ ******1-***. ** *]" 1
349 1 42 LEU QD 1 44 THR H . . 4.430 3.439 2.343 4.227 . 0 0 "[ . 1 . 2]" 1
350 1 42 LEU QD 1 44 THR HA . . 5.310 4.255 3.199 4.538 . 0 0 "[ . 1 . 2]" 1
351 1 42 LEU QD 1 45 LYS HA . . 4.750 1.956 1.867 2.629 . 0 0 "[ . 1 . 2]" 1
352 1 42 LEU QD 1 45 LYS QG . . 4.170 3.654 3.227 4.788 0.618 19 1 "[ . 1 . +2]" 1
353 1 42 LEU QD 1 46 GLN HA . . 3.660 3.370 2.718 5.110 1.450 19 4 "[ - 1* .* +2]" 1
354 1 42 LEU QD 1 46 GLN QB . . 4.850 4.312 3.839 5.210 0.360 19 0 "[ . 1 . 2]" 1
355 1 42 LEU QD 1 46 GLN QG . . 4.220 4.595 3.655 4.881 0.661 2 13 "[*+ *.****1 ***- * *]" 1
356 1 42 LEU QD 1 47 ALA HA . . 5.290 5.320 3.325 5.636 0.346 5 0 "[ . 1 . 2]" 1
357 1 42 LEU QD 1 47 ALA MB . . 3.520 3.540 2.370 3.797 0.277 6 0 "[ . 1 . 2]" 1
358 1 42 LEU HG 1 43 LYS HA . . 4.250 4.852 3.679 5.446 1.196 2 14 "[*+ *.****- ** * ** *]" 1
359 1 42 LEU HG 1 44 THR H . . 4.350 4.917 2.914 5.970 1.620 2 14 "[*+**.***** * * *- *]" 1
360 1 42 LEU HG 1 45 LYS H . . 4.460 4.967 4.362 5.316 0.856 2 13 "[*+ *.****- * * ** *]" 1
361 1 42 LEU HG 1 45 LYS HA . . 4.170 4.657 4.524 5.387 1.217 19 3 "[ - 1 .* +2]" 1
362 1 42 LEU HG 1 46 GLN HA . . 4.960 5.803 5.187 7.883 2.923 16 8 "[ * * 1** -*+ *2]" 1
363 1 43 LYS H 1 43 LYS QD . . 4.160 3.565 2.005 4.149 . 0 0 "[ . 1 . 2]" 1
364 1 43 LYS H 1 43 LYS QG . . 3.770 2.403 1.898 4.036 0.266 2 0 "[ . 1 . 2]" 1
365 1 43 LYS H 1 44 THR H . . 3.360 2.111 1.879 2.646 . 0 0 "[ . 1 . 2]" 1
366 1 43 LYS H 1 44 THR MG . . 4.310 3.464 2.932 4.121 . 0 0 "[ . 1 . 2]" 1
367 1 43 LYS H 1 45 LYS H . . 4.180 3.356 2.948 3.884 . 0 0 "[ . 1 . 2]" 1
368 1 43 LYS HA 1 43 LYS QD . . 4.500 3.993 3.552 4.264 . 0 0 "[ . 1 . 2]" 1
369 1 43 LYS HA 1 43 LYS QG . . 3.770 3.075 2.474 3.430 . 0 0 "[ . 1 . 2]" 1
370 1 43 LYS HA 1 44 THR H . . 3.650 3.431 3.106 3.571 . 0 0 "[ . 1 . 2]" 1
371 1 43 LYS HA 1 44 THR HA . . 4.610 4.526 4.416 4.565 . 0 0 "[ . 1 . 2]" 1
372 1 43 LYS QB 1 44 THR H . . 4.300 3.311 2.149 3.963 . 0 0 "[ . 1 . 2]" 1
373 1 43 LYS QB 1 44 THR HB . . 4.950 4.154 3.641 4.656 . 0 0 "[ . 1 . 2]" 1
374 1 43 LYS QB 1 47 ALA MB . . 4.910 4.540 3.222 7.321 2.411 19 2 "[ . 1 .- +2]" 1
375 1 43 LYS QD 1 44 THR H . . 4.590 3.833 2.147 5.212 0.622 16 3 "[ - 1* .+ 2]" 1
376 1 43 LYS QD 1 44 THR MG . . 3.850 3.563 2.054 4.167 0.317 16 0 "[ . 1 . 2]" 1
377 1 43 LYS QG 1 44 THR H . . 4.210 2.938 1.883 4.254 0.044 16 0 "[ . 1 . 2]" 1
378 1 43 LYS QG 1 44 THR HB . . 4.760 4.006 2.708 6.178 1.418 5 6 "[ - + * 1* .** 2]" 1
379 1 43 LYS QG 1 44 THR MG . . 3.800 3.402 2.360 5.026 1.226 3 6 "[ *+ . * 1- .** 2]" 1
380 1 43 LYS QG 1 46 GLN H . . 5.090 5.151 3.841 6.912 1.822 17 6 "[ ** . * 1- .*+ 2]" 1
381 1 44 THR H 1 44 THR HB . . 4.030 3.163 2.811 3.844 . 0 0 "[ . 1 . 2]" 1
382 1 44 THR H 1 44 THR MG . . 3.600 2.186 1.895 2.606 . 0 0 "[ . 1 . 2]" 1
383 1 44 THR H 1 45 LYS H . . 3.670 2.080 1.883 2.992 . 0 0 "[ . 1 . 2]" 1
384 1 44 THR H 1 46 GLN QB . . 4.840 5.892 5.130 6.190 1.350 12 18 "[****.*****-+*** ****]" 1
385 1 44 THR HA 1 44 THR MG . . 3.480 3.194 3.115 3.206 . 0 0 "[ . 1 . 2]" 1
386 1 44 THR HA 1 45 LYS H . . 2.990 3.490 2.763 3.568 0.578 5 19 "[** *+*******-*******]" 1
387 1 44 THR HA 1 45 LYS QB . . 4.620 4.286 3.732 4.418 . 0 0 "[ . 1 . 2]" 1
388 1 44 THR HB 1 45 LYS H . . 4.510 3.937 3.741 4.647 0.137 3 0 "[ . 1 . 2]" 1
389 1 44 THR HB 1 46 GLN QG . . 5.500 5.502 4.688 5.678 0.178 6 0 "[ . 1 . 2]" 1
390 1 44 THR MG 1 45 LYS H . . 3.860 2.086 1.833 3.757 . 0 0 "[ . 1 . 2]" 1
391 1 44 THR MG 1 46 GLN H . . 4.030 2.345 2.130 2.728 . 0 0 "[ . 1 . 2]" 1
392 1 44 THR MG 1 46 GLN HA . . 4.390 4.759 4.451 5.017 0.627 5 6 "[ * +- 1* * * 2]" 1
393 1 44 THR MG 1 46 GLN QB . . 3.730 4.220 3.630 4.521 0.791 15 15 "[** *.**-** ***+ ** *]" 1
394 1 45 LYS H 1 45 LYS QB . . 3.130 3.069 2.979 3.271 0.141 19 0 "[ . 1 . 2]" 1
395 1 45 LYS H 1 45 LYS QD . . 5.500 4.648 1.905 5.280 . 0 0 "[ . 1 . 2]" 1
396 1 45 LYS H 1 45 LYS QG . . 4.070 3.727 2.723 4.116 0.046 8 0 "[ . 1 . 2]" 1
397 1 45 LYS H 1 46 GLN H . . 4.030 1.895 1.785 2.628 . 0 0 "[ . 1 . 2]" 1
398 1 45 LYS HA 1 45 LYS QG . . 3.790 2.920 2.612 3.443 . 0 0 "[ . 1 . 2]" 1
399 1 45 LYS HA 1 46 GLN H . . 3.300 3.467 3.096 3.507 0.207 19 0 "[ . 1 . 2]" 1
400 1 45 LYS HA 1 46 GLN HA . . 5.380 4.568 4.475 4.973 . 0 0 "[ . 1 . 2]" 1
401 1 45 LYS QD 1 46 GLN QG . . 3.530 3.845 2.930 4.046 0.516 16 4 "[ - . 1 .+* *2]" 1
402 1 45 LYS QG 1 46 GLN H . . 4.090 3.057 1.976 3.934 . 0 0 "[ . 1 . 2]" 1
403 1 45 LYS QG 1 46 GLN HA . . 4.360 3.763 3.045 4.080 . 0 0 "[ . 1 . 2]" 1
404 1 45 LYS QG 1 46 GLN QB . . 3.990 2.972 2.438 3.863 . 0 0 "[ . 1 . 2]" 1
405 1 46 GLN H 1 46 GLN QB . . 2.960 3.014 2.435 3.194 0.234 3 0 "[ . 1 . 2]" 1
406 1 46 GLN H 1 46 GLN QG . . 3.780 2.163 1.977 2.864 . 0 0 "[ . 1 . 2]" 1
407 1 46 GLN H 1 47 ALA H . . 4.350 4.346 3.306 4.544 0.194 19 0 "[ . 1 . 2]" 1
408 1 46 GLN HA 1 46 GLN QE . . 4.770 4.406 3.670 4.606 . 0 0 "[ . 1 . 2]" 1
409 1 46 GLN HA 1 46 GLN QG . . 3.840 3.346 3.246 3.369 . 0 0 "[ . 1 . 2]" 1
410 1 46 GLN HA 1 47 ALA H . . 2.980 2.421 2.214 3.562 0.582 16 1 "[ . 1 .+ 2]" 1
411 1 46 GLN HA 1 47 ALA HA . . 4.860 4.605 4.478 5.361 0.501 16 1 "[ . 1 .+ 2]" 1
412 1 46 GLN QB 1 47 ALA H . . 3.470 2.569 1.867 2.891 . 0 0 "[ . 1 . 2]" 1
413 1 46 GLN QB 1 47 ALA HA . . 4.980 4.083 4.002 4.315 . 0 0 "[ . 1 . 2]" 1
414 1 46 GLN QB 1 47 ALA MB . . 4.690 4.327 3.872 4.501 . 0 0 "[ . 1 . 2]" 1
415 1 46 GLN QG 1 47 ALA H . . 4.650 3.744 1.872 4.252 . 0 0 "[ . 1 . 2]" 1
416 1 47 ALA H 1 47 ALA MB . . 3.080 2.895 2.862 2.931 . 0 0 "[ . 1 . 2]" 1
417 1 47 ALA H 1 48 ARG HA . . 4.410 4.541 4.363 5.491 1.081 5 3 "[ + 1* .- 2]" 1
418 1 47 ALA HA 1 48 ARG H . . 3.550 3.335 2.145 3.567 0.017 10 0 "[ . 1 . 2]" 1
419 1 47 ALA HA 1 48 ARG QB . . 4.700 5.020 4.067 5.421 0.721 10 8 "[ **. *+ * - * *]" 1
420 1 47 ALA MB 1 48 ARG H . . 3.360 2.136 1.865 3.368 0.008 16 0 "[ . 1 . 2]" 1
421 1 48 ARG H 1 49 CYS H . . 4.410 4.350 4.243 4.593 0.183 5 0 "[ . 1 . 2]" 1
422 1 48 ARG HA 1 49 CYS H . . 3.220 2.168 2.140 2.247 . 0 0 "[ . 1 . 2]" 1
423 1 49 CYS HA 1 50 TRP H . . 3.820 2.555 2.347 2.607 . 0 0 "[ . 1 . 2]" 1
424 1 49 CYS QB 1 50 TRP H . . 3.920 2.525 2.072 3.303 . 0 0 "[ . 1 . 2]" 1
425 1 49 CYS HB2 1 50 TRP H . . 4.470 3.686 2.106 3.981 . 0 0 "[ . 1 . 2]" 1
426 1 49 CYS HB3 1 50 TRP H . . 4.470 2.625 2.174 3.530 . 0 0 "[ . 1 . 2]" 1
427 1 50 TRP H 1 50 TRP HE3 . . 4.550 3.451 2.477 4.559 0.009 1 0 "[ . 1 . 2]" 1
428 1 50 TRP H 1 58 ALA MB . . 5.060 4.396 3.722 4.613 . 0 0 "[ . 1 . 2]" 1
429 1 50 TRP HA 1 51 LYS H . . 3.310 2.161 2.140 2.196 . 0 0 "[ . 1 . 2]" 1
430 1 50 TRP HA 1 58 ALA MB . . 5.500 4.730 4.054 5.250 . 0 0 "[ . 1 . 2]" 1
431 1 50 TRP QB 1 51 LYS H . . 3.820 3.316 2.970 3.719 . 0 0 "[ . 1 . 2]" 1
432 1 50 TRP QB 1 55 PHE QD . . 4.730 3.689 2.310 4.759 0.029 4 0 "[ . 1 . 2]" 1
433 1 50 TRP QB 1 58 ALA HA . . 4.730 4.829 3.912 5.486 0.756 15 12 "[ . **** **+***-*]" 1
434 1 50 TRP QB 1 58 ALA MB . . 3.240 2.985 1.896 3.708 0.468 10 0 "[ . 1 . 2]" 1
435 1 50 TRP QB 1 61 LEU MD1 . . 5.340 5.120 4.559 5.493 0.153 18 0 "[ . 1 . 2]" 1
436 1 50 TRP HD1 1 51 LYS H . . 5.500 4.073 2.671 5.025 . 0 0 "[ . 1 . 2]" 1
437 1 50 TRP HD1 1 58 ALA MB . . 3.870 2.085 1.823 2.334 . 0 0 "[ . 1 . 2]" 1
438 1 50 TRP HE1 1 58 ALA MB . . 5.110 2.942 2.508 3.450 . 0 0 "[ . 1 . 2]" 1
439 1 51 LYS H 1 51 LYS HB2 . . 3.730 2.420 2.089 3.586 . 0 0 "[ . 1 . 2]" 1
440 1 51 LYS H 1 51 LYS QB . . 3.100 2.335 2.062 2.655 . 0 0 "[ . 1 . 2]" 1
441 1 51 LYS H 1 51 LYS HB3 . . 3.730 3.418 2.736 3.627 . 0 0 "[ . 1 . 2]" 1
442 1 51 LYS H 1 51 LYS QD . . 4.540 3.169 1.973 4.398 . 0 0 "[ . 1 . 2]" 1
443 1 51 LYS H 1 51 LYS QE . . 4.740 4.002 2.903 4.673 . 0 0 "[ . 1 . 2]" 1
444 1 51 LYS H 1 51 LYS QG . . 4.000 2.989 2.029 3.988 . 0 0 "[ . 1 . 2]" 1
445 1 51 LYS H 1 53 LYS H . . 5.500 5.175 4.972 5.293 . 0 0 "[ . 1 . 2]" 1
446 1 51 LYS H 1 54 GLU H . . 5.480 4.746 4.375 5.170 . 0 0 "[ . 1 . 2]" 1
447 1 51 LYS H 1 55 PHE QD . . 3.980 3.361 2.262 4.233 0.253 20 0 "[ . 1 . 2]" 1
448 1 51 LYS QB 1 53 LYS H . . 2.970 2.765 2.352 3.168 0.198 4 0 "[ . 1 . 2]" 1
449 1 51 LYS QB 1 54 GLU H . . 3.940 2.459 2.201 3.118 . 0 0 "[ . 1 . 2]" 1
450 1 51 LYS QD 1 53 LYS H . . 4.590 4.919 3.993 5.512 0.922 2 7 "[*+**. -1** . 2]" 1
451 1 51 LYS QD 1 54 GLU H . . 4.600 4.735 3.977 5.384 0.784 4 7 "[** +. - * *. *]" 1
452 1 51 LYS QG 1 52 GLU H . . 5.100 4.031 2.746 4.742 . 0 0 "[ . 1 . 2]" 1
453 1 52 GLU H 1 52 GLU HB2 . . 3.730 2.603 2.369 2.747 . 0 0 "[ . 1 . 2]" 1
454 1 52 GLU H 1 52 GLU HB3 . . 3.730 3.176 2.419 3.593 . 0 0 "[ . 1 . 2]" 1
455 1 52 GLU H 1 52 GLU HG2 . . 4.450 3.853 2.225 4.413 . 0 0 "[ . 1 . 2]" 1
456 1 52 GLU H 1 52 GLU HG3 . . 4.450 3.121 2.022 4.522 0.072 19 0 "[ . 1 . 2]" 1
457 1 52 GLU H 1 53 LYS H . . 3.950 2.626 2.592 2.660 . 0 0 "[ . 1 . 2]" 1
458 1 52 GLU H 1 53 LYS HB3 . . 5.060 4.909 4.799 5.025 . 0 0 "[ . 1 . 2]" 1
459 1 52 GLU H 1 53 LYS QG . . 5.430 3.984 3.762 4.189 . 0 0 "[ . 1 . 2]" 1
460 1 52 GLU H 1 54 GLU H . . 4.630 4.403 4.288 4.482 . 0 0 "[ . 1 . 2]" 1
461 1 52 GLU H 1 55 PHE H . . 4.790 4.676 4.591 4.790 0.000 17 0 "[ . 1 . 2]" 1
462 1 52 GLU H 1 58 ALA MB . . 4.370 3.423 3.193 3.690 . 0 0 "[ . 1 . 2]" 1
463 1 52 GLU HA 1 52 GLU HG2 . . 3.870 3.001 2.321 3.474 . 0 0 "[ . 1 . 2]" 1
464 1 52 GLU HA 1 52 GLU QG . . 3.350 2.479 2.274 2.587 . 0 0 "[ . 1 . 2]" 1
465 1 52 GLU HA 1 52 GLU HG3 . . 3.870 2.868 2.539 3.745 . 0 0 "[ . 1 . 2]" 1
466 1 52 GLU HA 1 53 LYS H . . 4.180 3.401 3.386 3.456 . 0 0 "[ . 1 . 2]" 1
467 1 52 GLU HA 1 54 GLU H . . 4.310 4.199 4.021 4.359 0.049 18 0 "[ . 1 . 2]" 1
468 1 52 GLU HA 1 55 PHE H . . 3.890 3.328 3.135 3.575 . 0 0 "[ . 1 . 2]" 1
469 1 52 GLU HA 1 55 PHE QB . . 4.350 3.536 3.223 3.977 . 0 0 "[ . 1 . 2]" 1
470 1 52 GLU HA 1 58 ALA H . . 4.540 3.785 3.575 3.969 . 0 0 "[ . 1 . 2]" 1
471 1 52 GLU HA 1 58 ALA MB . . 3.530 2.293 1.885 2.777 . 0 0 "[ . 1 . 2]" 1
472 1 52 GLU QB 1 53 LYS H . . 3.530 3.088 2.921 3.139 . 0 0 "[ . 1 . 2]" 1
473 1 52 GLU QB 1 58 ALA H . . 5.500 4.957 4.713 5.252 . 0 0 "[ . 1 . 2]" 1
474 1 52 GLU QB 1 59 LYS H . . 4.630 3.545 3.178 4.065 . 0 0 "[ . 1 . 2]" 1
475 1 52 GLU HB2 1 53 LYS H . . 4.390 3.564 2.992 4.253 . 0 0 "[ . 1 . 2]" 1
476 1 52 GLU HB3 1 53 LYS H . . 4.390 3.792 3.182 4.230 . 0 0 "[ . 1 . 2]" 1
477 1 52 GLU QG 1 55 PHE QB . . 5.180 4.913 4.635 5.187 0.007 17 0 "[ . 1 . 2]" 1
478 1 52 GLU QG 1 58 ALA H . . 5.340 4.365 3.980 4.929 . 0 0 "[ . 1 . 2]" 1
479 1 52 GLU QG 1 58 ALA MB . . 3.730 2.124 1.837 2.907 . 0 0 "[ . 1 . 2]" 1
480 1 52 GLU QG 1 59 LYS H . . 4.300 2.976 2.279 4.142 . 0 0 "[ . 1 . 2]" 1
481 1 53 LYS H 1 53 LYS HB2 . . 4.300 3.604 3.594 3.607 . 0 0 "[ . 1 . 2]" 1
482 1 53 LYS H 1 53 LYS HB3 . . 3.120 2.641 2.550 2.740 . 0 0 "[ . 1 . 2]" 1
483 1 53 LYS H 1 53 LYS QG . . 3.460 2.005 1.915 2.158 . 0 0 "[ . 1 . 2]" 1
484 1 53 LYS H 1 54 GLU H . . 3.560 2.487 2.466 2.533 . 0 0 "[ . 1 . 2]" 1
485 1 53 LYS H 1 55 PHE H . . 4.500 3.680 3.459 3.890 . 0 0 "[ . 1 . 2]" 1
486 1 53 LYS HA 1 53 LYS QD . . 4.800 4.209 3.715 4.468 . 0 0 "[ . 1 . 2]" 1
487 1 53 LYS HA 1 53 LYS QG . . 3.810 3.346 3.337 3.415 . 0 0 "[ . 1 . 2]" 1
488 1 53 LYS HA 1 54 GLU QG . . 5.090 4.936 4.751 5.099 0.009 9 0 "[ . 1 . 2]" 1
489 1 53 LYS QD 1 54 GLU QG . . 4.140 3.868 1.780 4.136 . 0 0 "[ . 1 . 2]" 1
490 1 53 LYS QE 1 54 GLU H . . 4.770 4.067 3.814 4.553 . 0 0 "[ . 1 . 2]" 1
491 1 53 LYS QE 1 54 GLU HB2 . . 4.510 4.196 3.712 4.510 0.000 14 0 "[ . 1 . 2]" 1
492 1 53 LYS QE 1 54 GLU HB3 . . 5.500 5.241 4.702 5.502 0.002 9 0 "[ . 1 . 2]" 1
493 1 53 LYS QG 1 54 GLU H . . 3.920 2.083 1.909 2.285 . 0 0 "[ . 1 . 2]" 1
494 1 53 LYS QG 1 54 GLU HB2 . . 3.540 3.238 3.074 3.397 . 0 0 "[ . 1 . 2]" 1
495 1 53 LYS QG 1 55 PHE H . . 5.080 3.945 3.769 4.086 . 0 0 "[ . 1 . 2]" 1
496 1 54 GLU H 1 54 GLU HB2 . . 3.170 2.380 2.303 2.455 . 0 0 "[ . 1 . 2]" 1
497 1 54 GLU H 1 55 PHE H . . 3.060 2.167 2.044 2.256 . 0 0 "[ . 1 . 2]" 1
498 1 54 GLU H 1 55 PHE HA . . 4.980 4.866 4.795 4.964 . 0 0 "[ . 1 . 2]" 1
499 1 54 GLU H 1 55 PHE QD . . 4.220 4.189 3.705 4.235 0.015 15 0 "[ . 1 . 2]" 1
500 1 54 GLU HB2 1 55 PHE H . . 3.520 3.053 2.617 3.392 . 0 0 "[ . 1 . 2]" 1
501 1 54 GLU HB2 1 55 PHE HA . . 5.500 4.867 4.674 5.044 . 0 0 "[ . 1 . 2]" 1
502 1 54 GLU HB2 1 55 PHE QD . . 4.620 3.171 2.457 3.683 . 0 0 "[ . 1 . 2]" 1
503 1 54 GLU HB3 1 55 PHE H . . 4.160 3.778 3.378 4.119 . 0 0 "[ . 1 . 2]" 1
504 1 54 GLU HB3 1 55 PHE QD . . 4.940 3.378 2.688 4.010 . 0 0 "[ . 1 . 2]" 1
505 1 54 GLU QG 1 55 PHE H . . 4.580 4.315 4.084 4.490 . 0 0 "[ . 1 . 2]" 1
506 1 55 PHE H 1 55 PHE HB2 . . 3.980 2.636 2.329 2.763 . 0 0 "[ . 1 . 2]" 1
507 1 55 PHE H 1 55 PHE QB . . 3.470 2.579 2.296 2.696 . 0 0 "[ . 1 . 2]" 1
508 1 55 PHE H 1 55 PHE HB3 . . 3.980 3.667 3.492 3.778 . 0 0 "[ . 1 . 2]" 1
509 1 55 PHE H 1 55 PHE QD . . 3.640 3.141 2.392 3.442 . 0 0 "[ . 1 . 2]" 1
510 1 55 PHE H 1 56 PRO QD . . 5.210 3.986 3.892 4.057 . 0 0 "[ . 1 . 2]" 1
511 1 55 PHE H 1 58 ALA MB . . 5.150 4.312 4.000 4.678 . 0 0 "[ . 1 . 2]" 1
512 1 55 PHE HA 1 56 PRO HA . . 4.840 4.482 4.476 4.487 . 0 0 "[ . 1 . 2]" 1
513 1 55 PHE HA 1 56 PRO HD2 . . 3.530 1.939 1.933 1.947 . 0 0 "[ . 1 . 2]" 1
514 1 55 PHE HA 1 56 PRO HD3 . . 3.530 2.376 2.361 2.388 . 0 0 "[ . 1 . 2]" 1
515 1 55 PHE HA 1 56 PRO QG . . 4.470 3.767 3.766 3.770 . 0 0 "[ . 1 . 2]" 1
516 1 55 PHE HA 1 57 ASN H . . 4.060 3.573 3.481 3.695 . 0 0 "[ . 1 . 2]" 1
517 1 55 PHE HA 1 58 ALA H . . 4.700 4.769 4.558 5.016 0.316 4 0 "[ . 1 . 2]" 1
518 1 55 PHE QB 1 58 ALA H . . 3.780 2.904 2.641 3.197 . 0 0 "[ . 1 . 2]" 1
519 1 55 PHE QB 1 58 ALA HA . . 5.340 4.849 4.452 5.272 . 0 0 "[ . 1 . 2]" 1
520 1 55 PHE QB 1 58 ALA MB . . 3.560 2.891 2.580 3.301 . 0 0 "[ . 1 . 2]" 1
521 1 55 PHE QB 1 59 LYS H . . 5.050 4.938 4.792 5.304 0.254 17 0 "[ . 1 . 2]" 1
522 1 55 PHE HB2 1 58 ALA MB . . 4.120 3.211 2.885 3.473 . 0 0 "[ . 1 . 2]" 1
523 1 55 PHE HB3 1 58 ALA MB . . 4.120 3.546 2.721 4.444 0.324 4 0 "[ . 1 . 2]" 1
524 1 55 PHE QD 1 57 ASN H . . 5.500 4.220 3.532 4.931 . 0 0 "[ . 1 . 2]" 1
525 1 55 PHE QD 1 58 ALA MB . . 4.280 4.336 4.169 4.705 0.425 17 0 "[ . 1 . 2]" 1
526 1 56 PRO QB 1 57 ASN H . . 3.540 3.353 3.205 3.464 . 0 0 "[ . 1 . 2]" 1
527 1 56 PRO QB 1 58 ALA H . . 5.260 4.966 4.762 5.112 . 0 0 "[ . 1 . 2]" 1
528 1 56 PRO HB2 1 57 ASN H . . 4.210 3.513 3.337 3.647 . 0 0 "[ . 1 . 2]" 1
529 1 56 PRO HB3 1 57 ASN H . . 4.210 4.245 4.142 4.323 0.113 17 0 "[ . 1 . 2]" 1
530 1 56 PRO QD 1 57 ASN H . . 3.300 2.637 2.602 2.681 . 0 0 "[ . 1 . 2]" 1
531 1 56 PRO HD2 1 57 ASN H . . 4.040 2.684 2.646 2.732 . 0 0 "[ . 1 . 2]" 1
532 1 56 PRO HD3 1 57 ASN H . . 4.040 3.861 3.837 3.888 . 0 0 "[ . 1 . 2]" 1
533 1 56 PRO QG 1 57 ASN H . . 3.470 2.580 2.352 2.763 . 0 0 "[ . 1 . 2]" 1
534 1 56 PRO QG 1 58 ALA H . . 4.980 5.015 4.753 5.242 0.262 4 0 "[ . 1 . 2]" 1
535 1 57 ASN H 1 57 ASN HB2 . . 3.580 2.098 2.066 2.152 . 0 0 "[ . 1 . 2]" 1
536 1 57 ASN H 1 57 ASN HB3 . . 3.580 3.189 3.001 3.358 . 0 0 "[ . 1 . 2]" 1
537 1 57 ASN H 1 57 ASN HD21 . . 5.500 4.604 4.495 4.810 . 0 0 "[ . 1 . 2]" 1
538 1 57 ASN H 1 58 ALA H . . 3.370 2.721 2.578 2.806 . 0 0 "[ . 1 . 2]" 1
539 1 57 ASN H 1 58 ALA HA . . 5.470 5.301 5.154 5.383 . 0 0 "[ . 1 . 2]" 1
540 1 57 ASN H 1 58 ALA MB . . 4.490 4.273 4.154 4.354 . 0 0 "[ . 1 . 2]" 1
541 1 57 ASN H 1 59 LYS H . . 4.490 4.415 4.208 4.604 0.114 10 0 "[ . 1 . 2]" 1
542 1 57 ASN HA 1 57 ASN HD21 . . 4.290 2.377 2.117 2.745 . 0 0 "[ . 1 . 2]" 1
543 1 57 ASN HA 1 57 ASN HD22 . . 4.520 3.402 3.273 3.544 . 0 0 "[ . 1 . 2]" 1
544 1 57 ASN HA 1 58 ALA H . . 4.810 3.518 3.463 3.547 . 0 0 "[ . 1 . 2]" 1
545 1 57 ASN HA 1 59 LYS H . . 4.400 4.433 4.313 4.499 0.099 18 0 "[ . 1 . 2]" 1
546 1 57 ASN HA 1 60 GLU H . . 4.250 3.427 3.275 3.628 . 0 0 "[ . 1 . 2]" 1
547 1 57 ASN QB 1 58 ALA H . . 3.720 2.729 2.525 2.989 . 0 0 "[ . 1 . 2]" 1
548 1 57 ASN QB 1 58 ALA MB . . 4.420 3.930 3.754 4.102 . 0 0 "[ . 1 . 2]" 1
549 1 57 ASN QB 1 60 GLU QB . . 4.730 4.389 4.129 4.734 0.004 1 0 "[ . 1 . 2]" 1
550 1 57 ASN QB 1 61 LEU MD2 . . 4.800 4.346 3.940 4.810 0.010 6 0 "[ . 1 . 2]" 1
551 1 57 ASN HD21 1 58 ALA HA . . 5.410 4.687 3.937 5.311 . 0 0 "[ . 1 . 2]" 1
552 1 57 ASN HD21 1 61 LEU H . . 4.150 3.637 3.279 4.112 . 0 0 "[ . 1 . 2]" 1
553 1 57 ASN HD21 1 61 LEU MD1 . . 3.830 2.319 1.907 3.166 . 0 0 "[ . 1 . 2]" 1
554 1 57 ASN HD21 1 61 LEU MD2 . . 4.030 3.011 2.691 3.472 . 0 0 "[ . 1 . 2]" 1
555 1 57 ASN HD21 1 61 LEU HG . . 4.520 2.198 1.946 2.873 . 0 0 "[ . 1 . 2]" 1
556 1 58 ALA H 1 58 ALA MB . . 2.890 2.033 2.024 2.072 . 0 0 "[ . 1 . 2]" 1
557 1 58 ALA H 1 59 LYS H . . 3.750 2.784 2.692 2.842 . 0 0 "[ . 1 . 2]" 1
558 1 58 ALA H 1 59 LYS HA . . 5.500 5.369 5.293 5.414 . 0 0 "[ . 1 . 2]" 1
559 1 58 ALA H 1 59 LYS QB . . 5.030 4.581 4.391 5.109 0.079 18 0 "[ . 1 . 2]" 1
560 1 58 ALA H 1 60 GLU H . . 5.080 4.208 3.962 4.455 . 0 0 "[ . 1 . 2]" 1
561 1 58 ALA H 1 61 LEU H . . 5.100 4.754 4.611 4.867 . 0 0 "[ . 1 . 2]" 1
562 1 58 ALA H 1 61 LEU MD1 . . 4.370 3.660 3.531 3.964 . 0 0 "[ . 1 . 2]" 1
563 1 58 ALA HA 1 59 LYS H . . 4.720 3.551 3.533 3.562 . 0 0 "[ . 1 . 2]" 1
564 1 58 ALA HA 1 61 LEU H . . 3.840 3.712 3.503 3.834 . 0 0 "[ . 1 . 2]" 1
565 1 58 ALA HA 1 61 LEU QB . . 3.920 3.009 2.632 3.284 . 0 0 "[ . 1 . 2]" 1
566 1 58 ALA HA 1 61 LEU MD1 . . 3.950 2.293 1.950 2.663 . 0 0 "[ . 1 . 2]" 1
567 1 58 ALA HA 1 62 CYS H . . 4.470 4.054 3.838 4.263 . 0 0 "[ . 1 . 2]" 1
568 1 58 ALA MB 1 59 LYS H . . 3.350 2.579 2.428 2.713 . 0 0 "[ . 1 . 2]" 1
569 1 58 ALA MB 1 61 LEU H . . 5.260 4.749 4.642 4.834 . 0 0 "[ . 1 . 2]" 1
570 1 58 ALA MB 1 61 LEU MD1 . . 4.750 3.618 3.323 3.961 . 0 0 "[ . 1 . 2]" 1
571 1 59 LYS H 1 59 LYS HB2 . . 3.570 2.625 2.134 3.589 0.019 19 0 "[ . 1 . 2]" 1
572 1 59 LYS H 1 59 LYS QB . . 2.970 2.227 2.094 2.627 . 0 0 "[ . 1 . 2]" 1
573 1 59 LYS H 1 59 LYS HB3 . . 3.570 2.627 2.165 3.034 . 0 0 "[ . 1 . 2]" 1
574 1 59 LYS H 1 59 LYS QG . . 4.390 3.634 2.097 4.038 . 0 0 "[ . 1 . 2]" 1
575 1 59 LYS H 1 60 GLU H . . 3.440 2.655 2.550 2.773 . 0 0 "[ . 1 . 2]" 1
576 1 59 LYS H 1 60 GLU HA . . 5.390 5.259 5.173 5.348 . 0 0 "[ . 1 . 2]" 1
577 1 59 LYS H 1 61 LEU H . . 4.420 4.175 4.040 4.280 . 0 0 "[ . 1 . 2]" 1
578 1 59 LYS HA 1 62 CYS H . . 4.680 3.485 3.316 3.637 . 0 0 "[ . 1 . 2]" 1
579 1 59 LYS HA 1 62 CYS QB . . 5.300 2.550 2.366 2.801 . 0 0 "[ . 1 . 2]" 1
580 1 59 LYS HA 1 63 PHE H . . 4.710 3.955 3.733 4.183 . 0 0 "[ . 1 . 2]" 1
581 1 59 LYS HA 1 63 PHE HB2 . . 5.390 4.795 4.293 5.446 0.056 17 0 "[ . 1 . 2]" 1
582 1 59 LYS HA 1 63 PHE QD . . 5.320 4.491 3.059 5.631 0.311 17 0 "[ . 1 . 2]" 1
583 1 59 LYS QB 1 59 LYS QE . . 4.490 2.731 1.962 3.611 . 0 0 "[ . 1 . 2]" 1
584 1 59 LYS QB 1 60 GLU H . . 3.540 2.667 2.447 3.443 . 0 0 "[ . 1 . 2]" 1
585 1 59 LYS HB2 1 60 GLU H . . 4.230 3.726 3.370 4.046 . 0 0 "[ . 1 . 2]" 1
586 1 59 LYS HB3 1 60 GLU H . . 4.230 2.784 2.477 4.025 . 0 0 "[ . 1 . 2]" 1
587 1 59 LYS QD 1 60 GLU H . . 4.320 4.063 2.547 4.345 0.025 15 0 "[ . 1 . 2]" 1
588 1 59 LYS QD 1 63 PHE QD . . 5.200 3.933 2.714 5.208 0.008 19 0 "[ . 1 . 2]" 1
589 1 59 LYS QD 1 63 PHE QE . . 5.200 4.436 3.550 5.274 0.074 17 0 "[ . 1 . 2]" 1
590 1 59 LYS QE 1 60 GLU H . . 3.670 3.394 2.691 3.773 0.103 8 0 "[ . 1 . 2]" 1
591 1 59 LYS QE 1 60 GLU HA . . 4.920 2.634 1.968 3.201 . 0 0 "[ . 1 . 2]" 1
592 1 59 LYS QE 1 60 GLU QG . . 4.120 3.316 2.300 4.084 . 0 0 "[ . 1 . 2]" 1
593 1 59 LYS QE 1 61 LEU H . . 5.340 5.050 4.561 5.451 0.111 19 0 "[ . 1 . 2]" 1
594 1 59 LYS QG 1 60 GLU H . . 4.400 3.602 1.893 4.484 0.084 9 0 "[ . 1 . 2]" 1
595 1 59 LYS QG 1 63 PHE QD . . 5.500 4.154 2.425 5.102 . 0 0 "[ . 1 . 2]" 1
596 1 60 GLU H 1 60 GLU HB2 . . 3.700 2.156 2.062 2.354 . 0 0 "[ . 1 . 2]" 1
597 1 60 GLU H 1 60 GLU QB . . 3.100 2.129 2.041 2.323 . 0 0 "[ . 1 . 2]" 1
598 1 60 GLU H 1 60 GLU HB3 . . 3.700 3.341 2.882 3.567 . 0 0 "[ . 1 . 2]" 1
599 1 60 GLU H 1 61 LEU H . . 3.430 2.719 2.632 2.791 . 0 0 "[ . 1 . 2]" 1
600 1 60 GLU H 1 61 LEU HA . . 5.500 5.321 5.251 5.376 . 0 0 "[ . 1 . 2]" 1
601 1 60 GLU H 1 61 LEU MD2 . . 5.500 5.730 5.651 5.804 0.304 14 0 "[ . 1 . 2]" 1
602 1 60 GLU H 1 61 LEU HG . . 4.430 4.479 4.370 4.594 0.164 17 0 "[ . 1 . 2]" 1
603 1 60 GLU HA 1 60 GLU QG . . 3.590 2.186 2.015 2.731 . 0 0 "[ . 1 . 2]" 1
604 1 60 GLU HA 1 63 PHE H . . 4.360 3.692 3.572 3.857 . 0 0 "[ . 1 . 2]" 1
605 1 60 GLU HA 1 63 PHE HB2 . . 4.380 3.265 2.784 4.652 0.272 17 0 "[ . 1 . 2]" 1
606 1 60 GLU HA 1 63 PHE HB3 . . 4.700 4.041 3.040 4.457 . 0 0 "[ . 1 . 2]" 1
607 1 60 GLU HA 1 64 ALA H . . 4.850 3.924 3.734 4.103 . 0 0 "[ . 1 . 2]" 1
608 1 60 GLU HB2 1 61 LEU H . . 3.910 3.000 2.588 3.526 . 0 0 "[ . 1 . 2]" 1
609 1 60 GLU HB3 1 61 LEU H . . 3.910 3.019 2.515 3.413 . 0 0 "[ . 1 . 2]" 1
610 1 60 GLU QG 1 61 LEU H . . 4.680 4.351 4.156 4.493 . 0 0 "[ . 1 . 2]" 1
611 1 61 LEU H 1 61 LEU HB2 . . 3.690 2.518 2.426 2.573 . 0 0 "[ . 1 . 2]" 1
612 1 61 LEU H 1 61 LEU QB . . 3.170 2.471 2.390 2.519 . 0 0 "[ . 1 . 2]" 1
613 1 61 LEU H 1 61 LEU HB3 . . 3.690 3.591 3.587 3.598 . 0 0 "[ . 1 . 2]" 1
614 1 61 LEU H 1 61 LEU MD1 . . 3.700 3.141 3.047 3.337 . 0 0 "[ . 1 . 2]" 1
615 1 61 LEU H 1 61 LEU MD2 . . 3.660 3.693 3.594 3.759 0.099 14 0 "[ . 1 . 2]" 1
616 1 61 LEU H 1 61 LEU HG . . 3.270 2.245 2.160 2.422 . 0 0 "[ . 1 . 2]" 1
617 1 61 LEU H 1 62 CYS H . . 3.840 2.603 2.517 2.690 . 0 0 "[ . 1 . 2]" 1
618 1 61 LEU H 1 62 CYS HA . . 4.490 5.218 5.149 5.286 0.796 20 20 [***************-***+] 1
619 1 61 LEU H 1 62 CYS QB . . 4.600 4.295 4.198 4.375 . 0 0 "[ . 1 . 2]" 1
620 1 61 LEU HA 1 61 LEU MD1 . . 4.220 3.935 3.913 3.948 . 0 0 "[ . 1 . 2]" 1
621 1 61 LEU HA 1 61 LEU MD2 . . 3.140 2.486 2.338 2.636 . 0 0 "[ . 1 . 2]" 1
622 1 61 LEU HA 1 61 LEU HG . . 3.640 2.861 2.816 2.924 . 0 0 "[ . 1 . 2]" 1
623 1 61 LEU HA 1 63 PHE H . . 4.880 4.475 4.322 4.572 . 0 0 "[ . 1 . 2]" 1
624 1 61 LEU HA 1 64 ALA H . . 4.290 3.462 3.317 3.576 . 0 0 "[ . 1 . 2]" 1
625 1 61 LEU HA 1 64 ALA MB . . 3.590 2.526 2.138 2.784 . 0 0 "[ . 1 . 2]" 1
626 1 61 LEU QB 1 62 CYS H . . 3.820 2.543 2.387 2.671 . 0 0 "[ . 1 . 2]" 1
627 1 61 LEU QB 1 64 ALA H . . 5.340 4.848 4.605 4.977 . 0 0 "[ . 1 . 2]" 1
628 1 61 LEU HB2 1 62 CYS H . . 4.440 2.592 2.426 2.727 . 0 0 "[ . 1 . 2]" 1
629 1 61 LEU HB3 1 62 CYS H . . 4.440 3.694 3.514 3.836 . 0 0 "[ . 1 . 2]" 1
630 1 61 LEU MD2 1 62 CYS H . . 4.960 4.845 4.779 4.907 . 0 0 "[ . 1 . 2]" 1
631 1 61 LEU MD2 1 64 ALA H . . 5.500 5.448 5.317 5.534 0.034 13 0 "[ . 1 . 2]" 1
632 1 61 LEU HG 1 62 CYS H . . 4.640 4.322 4.259 4.393 . 0 0 "[ . 1 . 2]" 1
633 1 62 CYS H 1 62 CYS QB . . 3.590 2.092 2.042 2.250 . 0 0 "[ . 1 . 2]" 1
634 1 62 CYS H 1 63 PHE H . . 3.760 2.692 2.610 2.816 . 0 0 "[ . 1 . 2]" 1
635 1 63 PHE H 1 63 PHE HB2 . . 3.480 2.191 2.091 3.288 . 0 0 "[ . 1 . 2]" 1
636 1 63 PHE H 1 63 PHE HB3 . . 3.480 3.244 2.083 3.489 0.009 10 0 "[ . 1 . 2]" 1
637 1 63 PHE H 1 63 PHE QD . . 3.810 3.108 2.444 3.829 0.019 14 0 "[ . 1 . 2]" 1
638 1 63 PHE H 1 64 ALA H . . 3.890 2.519 2.462 2.614 . 0 0 "[ . 1 . 2]" 1
639 1 63 PHE H 1 64 ALA MB . . 4.560 4.232 4.168 4.330 . 0 0 "[ . 1 . 2]" 1
640 1 63 PHE QB 1 64 ALA H . . 3.470 2.755 2.615 3.023 . 0 0 "[ . 1 . 2]" 1
641 1 63 PHE QB 1 64 ALA HA . . 4.860 3.877 3.761 4.659 . 0 0 "[ . 1 . 2]" 1
642 1 63 PHE HB2 1 64 ALA H . . 3.960 3.175 2.811 4.104 0.144 17 0 "[ . 1 . 2]" 1
643 1 63 PHE HB3 1 64 ALA H . . 3.960 3.106 2.709 3.597 . 0 0 "[ . 1 . 2]" 1
644 1 63 PHE HB3 1 64 ALA HA . . 5.410 4.041 3.869 5.122 . 0 0 "[ . 1 . 2]" 1
645 1 64 ALA H 1 64 ALA MB . . 2.990 2.239 2.156 2.273 . 0 0 "[ . 1 . 2]" 1
646 1 64 ALA H 1 65 ASN H . . 3.400 2.481 2.375 2.579 . 0 0 "[ . 1 . 2]" 1
647 1 64 ALA H 1 65 ASN QB . . 4.690 4.209 4.075 4.375 . 0 0 "[ . 1 . 2]" 1
648 1 64 ALA MB 1 65 ASN H . . 3.980 2.942 2.758 3.101 . 0 0 "[ . 1 . 2]" 1
649 1 64 ALA MB 1 65 ASN HA . . 5.010 3.907 3.855 3.979 . 0 0 "[ . 1 . 2]" 1
650 1 65 ASN H 1 65 ASN HB2 . . 3.980 3.098 2.671 3.496 . 0 0 "[ . 1 . 2]" 1
651 1 65 ASN H 1 65 ASN HB3 . . 3.980 2.205 2.071 2.409 . 0 0 "[ . 1 . 2]" 1
652 1 65 ASN H 1 66 CYS H . . 4.980 4.482 4.324 4.593 . 0 0 "[ . 1 . 2]" 1
653 1 65 ASN HA 1 66 CYS H . . 3.780 2.162 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
654 1 65 ASN HA 1 66 CYS HA . . 5.280 4.407 4.357 4.457 . 0 0 "[ . 1 . 2]" 1
655 1 65 ASN HA 1 66 CYS QB . . 4.830 4.091 3.964 4.253 . 0 0 "[ . 1 . 2]" 1
656 1 66 CYS H 1 66 CYS QB . . 3.590 2.804 2.617 2.985 . 0 0 "[ . 1 . 2]" 1
657 1 68 PRO HA 1 69 LEU H . . 2.920 2.374 2.188 2.614 . 0 0 "[ . 1 . 2]" 1
658 1 68 PRO HA 1 69 LEU QB . . 5.270 4.486 4.217 4.866 . 0 0 "[ . 1 . 2]" 1
659 1 68 PRO HA 1 69 LEU QD . . 4.010 2.980 2.540 3.866 . 0 0 "[ . 1 . 2]" 1
660 1 68 PRO HB2 1 69 LEU H . . 3.840 2.730 2.125 3.295 . 0 0 "[ . 1 . 2]" 1
661 1 68 PRO HB2 1 69 LEU HA . . 5.250 4.356 4.133 4.514 . 0 0 "[ . 1 . 2]" 1
662 1 68 PRO HB2 1 70 GLU H . . 4.270 2.600 2.320 3.998 . 0 0 "[ . 1 . 2]" 1
663 1 68 PRO HB3 1 69 LEU H . . 3.840 3.531 3.230 3.845 0.005 18 0 "[ . 1 . 2]" 1
664 1 68 PRO HB3 1 69 LEU QD . . 4.800 4.551 4.001 4.791 . 0 0 "[ . 1 . 2]" 1
665 1 69 LEU H 1 69 LEU QB . . 3.460 2.789 2.209 3.196 . 0 0 "[ . 1 . 2]" 1
666 1 69 LEU H 1 69 LEU QD . . 3.800 2.191 1.975 2.677 . 0 0 "[ . 1 . 2]" 1
667 1 69 LEU H 1 70 GLU H . . 3.740 2.731 2.273 3.737 . 0 0 "[ . 1 . 2]" 1
668 1 69 LEU HA 1 69 LEU QD . . 3.310 3.080 1.987 3.314 0.004 19 0 "[ . 1 . 2]" 1
669 1 69 LEU HA 1 70 GLU H . . 3.230 2.869 2.399 2.980 . 0 0 "[ . 1 . 2]" 1
670 1 69 LEU HA 1 70 GLU HA . . 4.800 4.611 4.423 4.888 0.088 14 0 "[ . 1 . 2]" 1
671 1 69 LEU QB 1 70 GLU H . . 4.160 3.881 3.713 4.023 . 0 0 "[ . 1 . 2]" 1
672 1 69 LEU QD 1 70 GLU H . . 4.190 4.032 3.031 4.187 . 0 0 "[ . 1 . 2]" 1
673 1 70 GLU H 1 70 GLU HB2 . . 3.910 2.735 2.167 3.864 . 0 0 "[ . 1 . 2]" 1
674 1 70 GLU H 1 70 GLU HB3 . . 3.910 3.245 2.417 3.849 . 0 0 "[ . 1 . 2]" 1
675 1 70 GLU H 1 70 GLU QG . . 5.010 3.350 2.081 4.163 . 0 0 "[ . 1 . 2]" 1
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