NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426004 |
2gyt   |
7120 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gyt
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 1067
_Distance_constraint_stats_list.Viol_count 1441
_Distance_constraint_stats_list.Viol_total 4585.743
_Distance_constraint_stats_list.Viol_max 3.222
_Distance_constraint_stats_list.Viol_rms 0.1721
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0430
_Distance_constraint_stats_list.Viol_average_violations_only 0.3182
_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 ARG 5.470 1.729 2 4 "[ +- * *]"
1 4 LYS 4.849 1.729 2 4 "[ +- * *]"
1 5 LYS 2.657 0.761 3 1 "[ + . 1]"
1 6 PRO 2.544 0.761 3 1 "[ + . 1]"
1 7 ASP 0.936 0.417 1 0 "[ . 1]"
1 8 THR 11.285 1.170 4 7 "[***+* * -1]"
1 9 MET 17.092 1.170 4 7 "[***+*** 1]"
1 10 ILE 19.204 0.894 9 7 "[* **.** +-]"
1 11 LEU 16.301 0.894 9 7 "[- *** * +*]"
1 12 THR 0.298 0.209 3 0 "[ . 1]"
1 13 GLN 6.047 1.194 2 2 "[ + . *]"
1 14 ILE 28.283 2.009 10 9 "[****** **+]"
1 15 GLU 5.879 1.657 3 3 "[ +*- 1]"
1 16 ALA 10.138 1.194 2 7 "[ +**- ***]"
1 17 LYS 4.037 0.951 8 5 "[ **- +*1]"
1 18 GLU 7.317 2.009 10 4 "[* * .- +]"
1 19 ALA 8.763 0.818 8 1 "[ . + 1]"
1 20 CYS 10.813 0.818 8 6 "[*** .*-+ 1]"
1 21 ASP 2.904 0.788 3 3 "[ +-.* 1]"
1 22 TRP 19.384 0.949 6 10 [*-***+****]
1 23 LEU 26.844 1.345 4 10 [***+**-***]
1 24 ARG 29.952 1.323 4 10 [***+*-****]
1 25 ALA 4.503 0.490 2 0 "[ . 1]"
1 26 THR 10.402 0.530 2 1 "[ + . 1]"
1 27 GLY 3.087 0.663 6 2 "[ - .+ 1]"
1 28 PHE 15.048 0.663 6 5 "[ ** .+ * -]"
1 29 PRO 7.758 1.255 9 8 "[* *-* **+*]"
1 30 GLN 12.629 0.974 3 10 [**+******-]
1 31 TYR 25.710 1.345 4 10 [***+*****-]
1 32 ALA 25.868 1.323 4 10 [***+***-**]
1 33 GLN 5.178 0.489 7 0 "[ . 1]"
1 34 LEU 25.393 0.974 3 10 [**+-******]
1 35 TYR 2.459 0.237 9 0 "[ . 1]"
1 36 GLU 2.875 0.509 7 1 "[ . + 1]"
1 37 ASP 0.321 0.177 7 0 "[ . 1]"
1 38 PHE 4.439 0.619 10 3 "[* . -+]"
1 39 LEU 6.552 0.619 10 3 "[* . *+]"
1 40 PHE 31.841 0.746 3 10 [**+-******]
1 41 PRO 10.694 0.661 3 10 [**+***-***]
1 42 ILE 18.474 0.558 2 1 "[ + . 1]"
1 43 ASP 4.578 0.328 1 0 "[ . 1]"
1 44 ILE 43.220 1.010 1 9 "[+***-** **]"
1 45 SER 17.361 1.301 5 10 [****+*****]
1 46 LEU 10.263 1.372 1 5 "[+ * ** *]"
1 47 VAL 10.434 0.633 10 3 "[* - +]"
1 48 LYS 62.447 3.222 10 10 [**-******+]
1 49 ARG 47.352 3.222 10 10 [*******-*+]
1 50 GLU 5.217 0.627 3 4 "[ + . *-*1]"
1 51 HIS 0.366 0.108 9 0 "[ . 1]"
1 52 ASP 2.196 0.395 9 0 "[ . 1]"
1 53 PHE 2.430 0.420 8 0 "[ . 1]"
1 54 LEU 4.350 0.621 4 1 "[ +. 1]"
1 55 ASP 3.252 0.469 7 0 "[ . 1]"
1 56 ARG 2.693 0.620 6 2 "[ - .+ 1]"
1 57 ASP 6.418 0.626 2 2 "[ + .* 1]"
1 58 ALA 3.393 0.382 2 0 "[ . 1]"
1 59 ILE 36.525 1.414 2 10 [*+-*******]
1 60 GLU 24.126 1.414 2 10 [*+*-******]
1 61 ALA 0.744 0.181 4 0 "[ . 1]"
1 62 LEU 8.313 0.462 2 0 "[ . 1]"
1 63 CYS 0.223 0.153 6 0 "[ . 1]"
1 64 ARG 0.255 0.182 3 0 "[ . 1]"
1 65 ARG 0.379 0.103 5 0 "[ . 1]"
1 66 LEU 21.246 0.745 9 8 "[*****- +*]"
1 67 ASN 7.016 0.616 6 3 "[ *.+- 1]"
1 68 THR 6.919 0.462 2 0 "[ . 1]"
1 69 LEU 2.977 0.462 2 0 "[ . 1]"
1 70 ASN 28.596 0.746 3 10 [**+******-]
1 71 LYS 11.062 1.274 6 4 "[-* *.+ 1]"
1 72 CYS 1.211 0.395 10 0 "[ . 1]"
1 73 ALA 3.905 0.299 2 0 "[ . 1]"
1 74 VAL 5.636 0.578 1 1 "[+ . 1]"
1 75 MET 7.272 0.578 1 1 "[+ . 1]"
1 76 LYS 2.237 0.599 10 1 "[ . +]"
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 ARG HA 1 3 ARG HD3 . . 4.840 4.336 3.491 5.478 0.638 5 1 "[ + 1]" 1
2 1 3 ARG HA 1 3 ARG HG3 . . 3.990 2.807 2.201 3.781 . 0 0 "[ . 1]" 1
3 1 3 ARG HA 1 4 LYS H . . 4.190 2.826 2.110 3.570 . 0 0 "[ . 1]" 1
4 1 3 ARG HB3 1 3 ARG HD3 . . 4.230 3.090 2.313 3.756 . 0 0 "[ . 1]" 1
5 1 3 ARG HB3 1 4 LYS HG3 . . 3.820 4.245 3.465 5.549 1.729 2 4 "[ +- * *]" 1
6 1 4 LYS HA 1 4 LYS HG3 . . 3.920 3.466 2.774 3.936 0.016 2 0 "[ . 1]" 1
7 1 4 LYS HA 1 5 LYS H . . 3.520 2.363 2.081 2.894 . 0 0 "[ . 1]" 1
8 1 4 LYS HE3 1 4 LYS HG3 . . 3.990 2.720 2.350 3.730 . 0 0 "[ . 1]" 1
9 1 5 LYS H 1 5 LYS HG3 . . 5.500 3.373 2.315 4.372 . 0 0 "[ . 1]" 1
10 1 5 LYS HA 1 5 LYS HG3 . . 3.960 3.005 2.236 4.160 0.200 9 0 "[ . 1]" 1
11 1 5 LYS HA 1 6 PRO HD3 . . 3.500 2.302 2.237 2.389 . 0 0 "[ . 1]" 1
12 1 5 LYS HB3 1 6 PRO HD3 . . 4.500 4.198 3.656 4.889 0.389 1 0 "[ . 1]" 1
13 1 5 LYS HG3 1 6 PRO HD3 . . 5.000 4.695 3.167 5.761 0.761 3 1 "[ + . 1]" 1
14 1 6 PRO HA 1 7 ASP H . . 3.390 2.679 2.128 3.477 0.087 4 0 "[ . 1]" 1
15 1 6 PRO HB3 1 6 PRO HD3 . . 4.000 3.003 2.808 3.161 . 0 0 "[ . 1]" 1
16 1 7 ASP H 1 8 THR H . . 5.500 3.211 2.155 4.275 . 0 0 "[ . 1]" 1
17 1 7 ASP HA 1 8 THR H . . 3.710 2.821 2.112 3.627 . 0 0 "[ . 1]" 1
18 1 7 ASP HA 1 8 THR MG . . 4.790 4.370 3.510 5.207 0.417 1 0 "[ . 1]" 1
19 1 7 ASP HA 1 10 ILE H . . 5.460 3.849 3.169 4.372 . 0 0 "[ . 1]" 1
20 1 7 ASP HA 1 10 ILE HB . . 5.000 4.033 3.107 4.886 . 0 0 "[ . 1]" 1
21 1 7 ASP HA 1 10 ILE MD . . 5.000 3.766 2.466 5.086 0.086 9 0 "[ . 1]" 1
22 1 7 ASP HB3 1 10 ILE H . . 5.500 4.167 2.980 5.333 . 0 0 "[ . 1]" 1
23 1 8 THR H 1 8 THR HB . . 4.340 2.624 2.336 3.374 . 0 0 "[ . 1]" 1
24 1 8 THR H 1 8 THR MG . . 4.070 2.284 1.981 2.464 . 0 0 "[ . 1]" 1
25 1 8 THR HA 1 8 THR MG . . 3.160 3.261 3.242 3.275 0.115 5 0 "[ . 1]" 1
26 1 8 THR HA 1 9 MET H . . 5.150 3.559 3.529 3.603 . 0 0 "[ . 1]" 1
27 1 8 THR HB 1 9 MET H . . 4.100 4.047 3.989 4.154 0.054 2 0 "[ . 1]" 1
28 1 8 THR HB 1 11 LEU HB3 . . 4.600 4.670 4.251 5.296 0.696 9 1 "[ . +1]" 1
29 1 8 THR HB 1 11 LEU QD . . 4.420 4.179 3.885 4.573 0.153 6 0 "[ . 1]" 1
30 1 8 THR MG 1 9 MET H . . 5.500 2.314 2.164 2.379 . 0 0 "[ . 1]" 1
31 1 8 THR MG 1 9 MET HB3 . . 3.770 4.537 3.951 4.940 1.170 4 6 "[***+* - 1]" 1
32 1 9 MET H 1 9 MET HB3 . . 4.380 3.116 2.309 3.628 . 0 0 "[ . 1]" 1
33 1 9 MET H 1 10 ILE H . . 4.840 2.730 2.662 2.888 . 0 0 "[ . 1]" 1
34 1 9 MET H 1 10 ILE MD . . 4.400 4.840 4.473 5.158 0.758 7 3 "[ -.*+ 1]" 1
35 1 9 MET HA 1 9 MET HG3 . . 4.340 3.172 2.445 3.724 . 0 0 "[ . 1]" 1
36 1 9 MET HA 1 10 ILE H . . 3.420 3.541 3.482 3.629 0.209 6 0 "[ . 1]" 1
37 1 9 MET HA 1 12 THR H . . 5.500 4.065 3.915 4.264 . 0 0 "[ . 1]" 1
38 1 9 MET HA 1 12 THR HB . . 4.000 3.589 3.261 3.956 . 0 0 "[ . 1]" 1
39 1 9 MET HB3 1 9 MET HG3 . . 2.890 2.691 2.443 2.977 0.087 9 0 "[ . 1]" 1
40 1 9 MET HB3 1 10 ILE H . . 4.270 3.314 2.411 3.889 . 0 0 "[ . 1]" 1
41 1 9 MET HB3 1 10 ILE MG . . 5.600 5.817 5.429 6.098 0.498 7 0 "[ . 1]" 1
42 1 9 MET HG3 1 10 ILE H . . 4.850 4.693 3.794 5.184 0.334 2 0 "[ . 1]" 1
43 1 10 ILE H 1 10 ILE HB . . 3.320 2.425 2.355 2.642 . 0 0 "[ . 1]" 1
44 1 10 ILE H 1 10 ILE MD . . 4.260 3.225 2.882 3.621 . 0 0 "[ . 1]" 1
45 1 10 ILE H 1 10 ILE HG13 . . 4.010 2.895 2.721 3.778 . 0 0 "[ . 1]" 1
46 1 10 ILE H 1 10 ILE MG . . 3.670 3.796 3.769 3.854 0.184 9 0 "[ . 1]" 1
47 1 10 ILE H 1 11 LEU H . . 4.500 2.423 2.229 2.620 . 0 0 "[ . 1]" 1
48 1 10 ILE H 1 11 LEU HB3 . . 5.500 4.880 4.306 5.384 . 0 0 "[ . 1]" 1
49 1 10 ILE HA 1 10 ILE MD . . 3.820 3.676 2.217 3.872 0.052 4 0 "[ . 1]" 1
50 1 10 ILE HA 1 10 ILE HG13 . . 4.170 2.705 2.414 3.752 . 0 0 "[ . 1]" 1
51 1 10 ILE HA 1 10 ILE MG . . 3.250 2.476 2.333 2.535 . 0 0 "[ . 1]" 1
52 1 10 ILE HA 1 11 LEU H . . 3.500 3.615 3.579 3.649 0.149 3 0 "[ . 1]" 1
53 1 10 ILE HA 1 12 THR H . . 5.500 4.271 4.084 4.416 . 0 0 "[ . 1]" 1
54 1 10 ILE HA 1 13 GLN HB3 . . 4.000 3.876 2.528 4.359 0.359 3 0 "[ . 1]" 1
55 1 10 ILE HA 1 13 GLN HG3 . . 5.000 4.021 3.351 5.431 0.431 4 0 "[ . 1]" 1
56 1 10 ILE HB 1 10 ILE MD . . 3.520 2.387 2.211 3.301 . 0 0 "[ . 1]" 1
57 1 10 ILE HB 1 11 LEU H . . 3.410 2.950 2.797 3.134 . 0 0 "[ . 1]" 1
58 1 10 ILE HB 1 12 THR H . . 5.500 5.460 5.338 5.550 0.050 4 0 "[ . 1]" 1
59 1 10 ILE MD 1 10 ILE MG . . 2.640 2.285 2.156 2.518 . 0 0 "[ . 1]" 1
60 1 10 ILE HG13 1 10 ILE MG . . 3.310 3.085 2.255 3.214 . 0 0 "[ . 1]" 1
61 1 10 ILE MG 1 11 LEU H . . 3.790 3.557 3.359 3.892 0.102 9 0 "[ . 1]" 1
62 1 10 ILE MG 1 11 LEU HA . . 4.110 3.658 3.528 3.984 . 0 0 "[ . 1]" 1
63 1 10 ILE MG 1 11 LEU HB3 . . 5.100 5.589 5.370 5.994 0.894 9 6 "[* **. * +-]" 1
64 1 10 ILE MG 1 12 THR H . . 5.500 5.089 5.011 5.148 . 0 0 "[ . 1]" 1
65 1 10 ILE MG 1 13 GLN HB3 . . 4.370 3.854 3.451 4.408 0.038 5 0 "[ . 1]" 1
66 1 11 LEU H 1 11 LEU HB3 . . 3.700 2.809 2.491 3.056 . 0 0 "[ . 1]" 1
67 1 11 LEU H 1 11 LEU QD . . 4.360 3.762 3.611 3.840 . 0 0 "[ . 1]" 1
68 1 11 LEU H 1 11 LEU HG . . 4.400 4.285 3.983 4.585 0.185 8 0 "[ . 1]" 1
69 1 11 LEU H 1 12 THR H . . 4.030 2.993 2.915 3.042 . 0 0 "[ . 1]" 1
70 1 11 LEU HA 1 11 LEU QD . . 3.170 2.253 2.165 2.356 . 0 0 "[ . 1]" 1
71 1 11 LEU HA 1 12 THR H . . 3.790 3.588 3.571 3.604 . 0 0 "[ . 1]" 1
72 1 11 LEU HA 1 14 ILE H . . 3.800 3.363 3.216 3.448 . 0 0 "[ . 1]" 1
73 1 11 LEU HA 1 14 ILE HB . . 4.400 4.659 4.565 4.746 0.346 10 0 "[ . 1]" 1
74 1 11 LEU HA 1 14 ILE MD . . 3.770 3.772 2.701 4.278 0.508 1 1 "[+ . 1]" 1
75 1 11 LEU HA 1 14 ILE MG . . 4.180 2.081 1.905 2.497 . 0 0 "[ . 1]" 1
76 1 11 LEU HB3 1 12 THR H . . 4.000 2.708 2.657 2.800 . 0 0 "[ . 1]" 1
77 1 11 LEU HB3 1 14 ILE MG . . 4.400 4.562 4.266 5.152 0.752 4 3 "[ *+- 1]" 1
78 1 11 LEU QD 1 12 THR H . . 4.680 3.723 3.124 4.052 . 0 0 "[ . 1]" 1
79 1 11 LEU QD 1 15 GLU HG3 . . 4.350 2.560 2.113 3.700 . 0 0 "[ . 1]" 1
80 1 11 LEU HG 1 12 THR H . . 5.300 4.808 3.892 5.242 . 0 0 "[ . 1]" 1
81 1 12 THR H 1 12 THR HB . . 3.530 2.189 2.096 2.318 . 0 0 "[ . 1]" 1
82 1 12 THR H 1 12 THR MG . . 4.620 3.677 3.608 3.765 . 0 0 "[ . 1]" 1
83 1 12 THR HA 1 12 THR MG . . 3.120 2.727 2.594 2.839 . 0 0 "[ . 1]" 1
84 1 12 THR HA 1 15 GLU H . . 4.620 3.580 3.487 3.724 . 0 0 "[ . 1]" 1
85 1 12 THR HA 1 15 GLU HB3 . . 4.200 4.018 3.883 4.409 0.209 3 0 "[ . 1]" 1
86 1 12 THR MG 1 13 GLN H . . 3.540 3.224 3.079 3.513 . 0 0 "[ . 1]" 1
87 1 13 GLN H 1 13 GLN HB3 . . 3.740 3.301 2.221 3.637 . 0 0 "[ . 1]" 1
88 1 13 GLN H 1 13 GLN HG3 . . 4.180 3.386 2.853 4.291 0.111 4 0 "[ . 1]" 1
89 1 13 GLN H 1 14 ILE MG . . 4.430 3.869 3.738 4.065 . 0 0 "[ . 1]" 1
90 1 13 GLN HA 1 13 GLN HB3 . . 3.070 2.644 2.510 2.806 . 0 0 "[ . 1]" 1
91 1 13 GLN HA 1 13 GLN HG3 . . 3.970 3.052 2.432 3.374 . 0 0 "[ . 1]" 1
92 1 13 GLN HA 1 14 ILE H . . 3.630 3.640 3.624 3.651 0.021 1 0 "[ . 1]" 1
93 1 13 GLN HA 1 14 ILE HA . . 5.000 4.689 4.666 4.720 . 0 0 "[ . 1]" 1
94 1 13 GLN HA 1 15 GLU H . . 5.000 4.430 4.262 4.535 . 0 0 "[ . 1]" 1
95 1 13 GLN HA 1 16 ALA H . . 4.670 3.257 3.160 3.416 . 0 0 "[ . 1]" 1
96 1 13 GLN HA 1 16 ALA MB . . 3.440 2.842 2.684 3.136 . 0 0 "[ . 1]" 1
97 1 13 GLN HB3 1 14 ILE H . . 4.170 3.489 3.348 3.722 . 0 0 "[ . 1]" 1
98 1 13 GLN HB3 1 16 ALA H . . 5.200 5.135 4.852 5.795 0.595 2 1 "[ + . 1]" 1
99 1 13 GLN HB3 1 16 ALA MB . . 4.230 4.447 4.117 5.424 1.194 2 2 "[ + . -]" 1
100 1 14 ILE H 1 14 ILE HB . . 3.870 3.334 3.069 3.760 . 0 0 "[ . 1]" 1
101 1 14 ILE H 1 14 ILE MD . . 4.100 4.473 4.100 4.647 0.547 1 6 "[+* .* **-]" 1
102 1 14 ILE H 1 14 ILE HG13 . . 4.300 4.524 4.107 4.696 0.396 6 0 "[ . 1]" 1
103 1 14 ILE H 1 14 ILE MG . . 3.760 2.038 1.944 2.199 . 0 0 "[ . 1]" 1
104 1 14 ILE H 1 15 GLU H . . 4.140 2.757 2.665 2.820 . 0 0 "[ . 1]" 1
105 1 14 ILE HA 1 14 ILE MD . . 4.000 3.996 3.906 4.178 0.178 3 0 "[ . 1]" 1
106 1 14 ILE HA 1 14 ILE HG13 . . 3.800 3.007 2.648 3.633 . 0 0 "[ . 1]" 1
107 1 14 ILE HA 1 14 ILE MG . . 3.260 2.986 2.557 3.205 . 0 0 "[ . 1]" 1
108 1 14 ILE HA 1 15 GLU H . . 4.500 3.611 3.576 3.642 . 0 0 "[ . 1]" 1
109 1 14 ILE HA 1 17 LYS H . . 3.920 3.016 2.752 3.268 . 0 0 "[ . 1]" 1
110 1 14 ILE HA 1 18 GLU H . . 4.850 3.409 3.083 3.605 . 0 0 "[ . 1]" 1
111 1 14 ILE HB 1 14 ILE MD . . 3.240 2.462 2.426 2.507 . 0 0 "[ . 1]" 1
112 1 14 ILE HB 1 15 GLU H . . 4.100 4.341 4.146 4.466 0.366 8 0 "[ . 1]" 1
113 1 14 ILE MD 1 15 GLU H . . 5.000 4.498 4.037 4.777 . 0 0 "[ . 1]" 1
114 1 14 ILE HG13 1 14 ILE MG . . 3.340 3.223 3.196 3.246 . 0 0 "[ . 1]" 1
115 1 14 ILE HG13 1 15 GLU H . . 5.500 4.046 2.998 4.686 . 0 0 "[ . 1]" 1
116 1 14 ILE HG13 1 16 ALA H . . 5.200 5.403 5.115 5.796 0.596 8 1 "[ . + 1]" 1
117 1 14 ILE MG 1 15 GLU H . . 3.830 2.946 2.562 3.781 . 0 0 "[ . 1]" 1
118 1 14 ILE MG 1 15 GLU HA . . 5.500 4.723 4.248 5.516 0.016 5 0 "[ . 1]" 1
119 1 14 ILE MG 1 15 GLU HG3 . . 4.400 4.388 3.798 6.057 1.657 3 3 "[ +*- 1]" 1
120 1 14 ILE MG 1 18 GLU H . . 5.300 5.194 4.914 5.373 0.073 4 0 "[ . 1]" 1
121 1 14 ILE MG 1 18 GLU HG3 . . 4.400 4.966 4.077 6.409 2.009 10 4 "[* * .- +]" 1
122 1 15 GLU H 1 15 GLU HB3 . . 3.840 3.548 3.497 3.609 . 0 0 "[ . 1]" 1
123 1 15 GLU H 1 15 GLU HG3 . . 4.110 2.944 2.581 3.559 . 0 0 "[ . 1]" 1
124 1 15 GLU H 1 16 ALA H . . 4.040 2.951 2.871 3.027 . 0 0 "[ . 1]" 1
125 1 15 GLU H 1 16 ALA MB . . 5.320 4.641 4.561 4.733 . 0 0 "[ . 1]" 1
126 1 15 GLU HA 1 15 GLU HG3 . . 3.900 3.136 2.519 3.657 . 0 0 "[ . 1]" 1
127 1 15 GLU HA 1 16 ALA H . . 4.740 3.515 3.453 3.567 . 0 0 "[ . 1]" 1
128 1 15 GLU HA 1 18 GLU HB3 . . 4.400 3.970 3.603 4.459 0.059 6 0 "[ . 1]" 1
129 1 15 GLU HA 1 68 THR MG . . 4.450 3.567 3.112 3.784 . 0 0 "[ . 1]" 1
130 1 15 GLU HB3 1 19 ALA MB . . 4.600 4.447 4.335 4.713 0.113 2 0 "[ . 1]" 1
131 1 15 GLU HB3 1 68 THR MG . . 3.800 2.018 1.934 2.096 . 0 0 "[ . 1]" 1
132 1 15 GLU HG3 1 68 THR MG . . 4.170 4.032 3.813 4.248 0.078 2 0 "[ . 1]" 1
133 1 16 ALA H 1 16 ALA MB . . 3.000 2.270 2.223 2.308 . 0 0 "[ . 1]" 1
134 1 16 ALA H 1 17 LYS HG3 . . 5.500 5.738 4.887 6.451 0.951 8 5 "[ **- +*1]" 1
135 1 16 ALA H 1 19 ALA H . . 4.660 4.469 4.293 4.730 0.070 8 0 "[ . 1]" 1
136 1 16 ALA H 1 69 LEU QD . . 5.500 4.522 4.362 4.849 . 0 0 "[ . 1]" 1
137 1 16 ALA HA 1 17 LYS H . . 3.860 3.631 3.614 3.641 . 0 0 "[ . 1]" 1
138 1 16 ALA HA 1 19 ALA H . . 4.410 3.666 3.474 3.925 . 0 0 "[ . 1]" 1
139 1 16 ALA HA 1 19 ALA MB . . 3.550 2.853 2.530 3.138 . 0 0 "[ . 1]" 1
140 1 16 ALA HA 1 20 CYS H . . 5.300 4.451 3.986 4.775 . 0 0 "[ . 1]" 1
141 1 16 ALA HA 1 68 THR MG . . 5.000 3.966 3.110 4.448 . 0 0 "[ . 1]" 1
142 1 16 ALA HA 1 69 LEU QD . . 3.200 2.415 2.136 2.707 . 0 0 "[ . 1]" 1
143 1 16 ALA MB 1 17 LYS H . . 3.830 2.501 2.279 2.627 . 0 0 "[ . 1]" 1
144 1 16 ALA MB 1 17 LYS HA . . 4.390 3.928 3.806 3.994 . 0 0 "[ . 1]" 1
145 1 16 ALA MB 1 17 LYS HB3 . . 4.800 3.802 3.625 3.934 . 0 0 "[ . 1]" 1
146 1 16 ALA MB 1 35 TYR QE . . 4.500 2.096 2.017 2.232 . 0 0 "[ . 1]" 1
147 1 16 ALA MB 1 69 LEU QD . . 3.500 3.371 2.896 3.746 0.246 5 0 "[ . 1]" 1
148 1 17 LYS H 1 17 LYS HB3 . . 3.640 2.421 2.184 2.605 . 0 0 "[ . 1]" 1
149 1 17 LYS H 1 17 LYS HG3 . . 4.090 3.605 2.972 4.090 . 0 0 "[ . 1]" 1
150 1 17 LYS H 1 18 GLU H . . 3.660 2.619 2.453 2.810 . 0 0 "[ . 1]" 1
151 1 17 LYS H 1 69 LEU QD . . 5.500 5.196 5.036 5.377 . 0 0 "[ . 1]" 1
152 1 17 LYS HA 1 17 LYS HG3 . . 4.320 3.734 3.526 3.896 . 0 0 "[ . 1]" 1
153 1 17 LYS HA 1 18 GLU H . . 4.340 3.524 3.470 3.549 . 0 0 "[ . 1]" 1
154 1 17 LYS HA 1 19 ALA H . . 5.210 4.140 3.905 4.458 . 0 0 "[ . 1]" 1
155 1 17 LYS HA 1 20 CYS H . . 4.410 3.092 2.961 3.224 . 0 0 "[ . 1]" 1
156 1 17 LYS HA 1 20 CYS HB3 . . 3.940 3.047 2.575 3.986 0.046 8 0 "[ . 1]" 1
157 1 17 LYS HA 1 21 ASP H . . 4.910 4.103 3.796 4.341 . 0 0 "[ . 1]" 1
158 1 17 LYS HB3 1 18 GLU H . . 4.060 3.831 3.613 3.980 . 0 0 "[ . 1]" 1
159 1 17 LYS HE3 1 17 LYS HG3 . . 3.840 2.910 2.023 3.696 . 0 0 "[ . 1]" 1
160 1 18 GLU H 1 18 GLU HB3 . . 3.710 3.347 2.484 3.652 . 0 0 "[ . 1]" 1
161 1 18 GLU H 1 18 GLU HG3 . . 4.080 3.547 2.432 4.402 0.322 10 0 "[ . 1]" 1
162 1 18 GLU H 1 19 ALA H . . 3.810 2.644 2.533 2.735 . 0 0 "[ . 1]" 1
163 1 18 GLU H 1 19 ALA HA . . 5.500 5.279 5.238 5.330 . 0 0 "[ . 1]" 1
164 1 18 GLU H 1 19 ALA MB . . 4.880 4.399 4.268 4.488 . 0 0 "[ . 1]" 1
165 1 18 GLU H 1 20 CYS H . . 5.270 4.112 3.996 4.257 . 0 0 "[ . 1]" 1
166 1 18 GLU HA 1 18 GLU HG3 . . 4.100 3.365 2.577 3.665 . 0 0 "[ . 1]" 1
167 1 18 GLU HA 1 19 ALA H . . 4.630 3.587 3.482 3.657 . 0 0 "[ . 1]" 1
168 1 18 GLU HA 1 21 ASP H . . 4.370 3.059 2.727 3.398 . 0 0 "[ . 1]" 1
169 1 18 GLU HA 1 21 ASP HB3 . . 3.790 2.627 2.285 3.764 . 0 0 "[ . 1]" 1
170 1 18 GLU HB3 1 19 ALA H . . 4.190 3.724 3.248 4.143 . 0 0 "[ . 1]" 1
171 1 18 GLU HG3 1 19 ALA H . . 5.340 4.707 2.226 5.600 0.260 3 0 "[ . 1]" 1
172 1 19 ALA H 1 19 ALA MB . . 3.040 2.269 2.174 2.339 . 0 0 "[ . 1]" 1
173 1 19 ALA H 1 20 CYS H . . 3.920 2.704 2.587 2.788 . 0 0 "[ . 1]" 1
174 1 19 ALA H 1 20 CYS HB3 . . 5.500 5.179 4.929 6.318 0.818 8 1 "[ . + 1]" 1
175 1 19 ALA H 1 21 ASP H . . 5.500 4.327 4.142 4.441 . 0 0 "[ . 1]" 1
176 1 19 ALA H 1 65 ARG HB3 . . 5.600 5.469 5.081 5.703 0.103 5 0 "[ . 1]" 1
177 1 19 ALA H 1 68 THR MG . . 5.500 4.732 4.396 4.949 . 0 0 "[ . 1]" 1
178 1 19 ALA H 1 69 LEU QD . . 5.380 3.809 3.571 3.956 . 0 0 "[ . 1]" 1
179 1 19 ALA HA 1 20 CYS H . . 4.630 3.655 3.628 3.684 . 0 0 "[ . 1]" 1
180 1 19 ALA HA 1 22 TRP H . . 4.570 3.436 3.228 3.630 . 0 0 "[ . 1]" 1
181 1 19 ALA HA 1 22 TRP HB3 . . 4.160 2.485 2.294 2.746 . 0 0 "[ . 1]" 1
182 1 19 ALA HA 1 23 LEU H . . 5.310 3.255 3.173 3.406 . 0 0 "[ . 1]" 1
183 1 19 ALA HA 1 32 ALA MB . . 5.100 5.141 5.037 5.278 0.178 8 0 "[ . 1]" 1
184 1 19 ALA HA 1 65 ARG HB3 . . 4.800 3.212 2.938 3.438 . 0 0 "[ . 1]" 1
185 1 19 ALA MB 1 20 CYS H . . 3.750 2.650 2.502 2.746 . 0 0 "[ . 1]" 1
186 1 19 ALA MB 1 20 CYS HA . . 3.730 3.995 3.866 4.048 0.318 2 0 "[ . 1]" 1
187 1 19 ALA MB 1 21 ASP H . . 5.340 4.819 4.662 4.883 . 0 0 "[ . 1]" 1
188 1 19 ALA MB 1 22 TRP H . . 5.000 4.679 4.536 4.809 . 0 0 "[ . 1]" 1
189 1 19 ALA MB 1 23 LEU H . . 5.430 4.113 4.024 4.246 . 0 0 "[ . 1]" 1
190 1 19 ALA MB 1 23 LEU QD . . 4.000 2.238 2.075 2.429 . 0 0 "[ . 1]" 1
191 1 19 ALA MB 1 32 ALA MB . . 3.580 3.919 3.800 4.110 0.530 8 1 "[ . + 1]" 1
192 1 19 ALA MB 1 65 ARG HB3 . . 3.580 2.514 2.262 3.063 . 0 0 "[ . 1]" 1
193 1 19 ALA MB 1 65 ARG HD3 . . 6.000 4.350 3.748 5.056 . 0 0 "[ . 1]" 1
194 1 19 ALA MB 1 68 THR HB . . 4.350 4.154 3.830 4.794 0.444 5 0 "[ . 1]" 1
195 1 19 ALA MB 1 68 THR MG . . 3.410 3.160 2.598 3.330 . 0 0 "[ . 1]" 1
196 1 19 ALA MB 1 69 LEU QD . . 2.860 1.775 1.708 1.830 . 0 0 "[ . 1]" 1
197 1 20 CYS H 1 20 CYS HB3 . . 3.870 2.781 2.655 3.632 . 0 0 "[ . 1]" 1
198 1 20 CYS H 1 21 ASP H . . 3.960 2.921 2.859 3.000 . 0 0 "[ . 1]" 1
199 1 20 CYS H 1 21 ASP HB3 . . 5.480 5.344 4.855 6.268 0.788 3 1 "[ + . 1]" 1
200 1 20 CYS H 1 22 TRP H . . 5.300 4.325 4.258 4.425 . 0 0 "[ . 1]" 1
201 1 20 CYS H 1 32 ALA MB . . 5.000 3.810 3.712 4.010 . 0 0 "[ . 1]" 1
202 1 20 CYS H 1 69 LEU QD . . 4.780 3.978 3.816 4.048 . 0 0 "[ . 1]" 1
203 1 20 CYS HA 1 21 ASP H . . 4.120 3.587 3.564 3.605 . 0 0 "[ . 1]" 1
204 1 20 CYS HA 1 23 LEU HB3 . . 4.180 4.713 4.400 4.889 0.709 3 6 "[**+ .*-* 1]" 1
205 1 20 CYS HA 1 23 LEU QD . . 3.580 3.385 3.184 3.640 0.060 5 0 "[ . 1]" 1
206 1 20 CYS HA 1 24 ARG H . . 4.800 3.754 3.649 3.871 . 0 0 "[ . 1]" 1
207 1 20 CYS HA 1 32 ALA H . . 5.000 4.553 4.473 4.683 . 0 0 "[ . 1]" 1
208 1 20 CYS HA 1 32 ALA HA . . 4.370 3.798 3.495 3.947 . 0 0 "[ . 1]" 1
209 1 20 CYS HA 1 32 ALA MB . . 3.590 1.910 1.886 1.951 . 0 0 "[ . 1]" 1
210 1 20 CYS HB3 1 21 ASP H . . 4.160 2.661 2.515 3.519 . 0 0 "[ . 1]" 1
211 1 20 CYS HB3 1 22 TRP H . . 5.340 5.271 5.150 5.762 0.422 8 0 "[ . 1]" 1
212 1 20 CYS HB3 1 32 ALA MB . . 3.800 3.777 3.019 4.013 0.213 9 0 "[ . 1]" 1
213 1 21 ASP H 1 21 ASP HB3 . . 3.720 2.770 2.406 3.528 . 0 0 "[ . 1]" 1
214 1 21 ASP H 1 22 TRP H . . 3.700 2.863 2.758 2.944 . 0 0 "[ . 1]" 1
215 1 21 ASP H 1 22 TRP HB3 . . 5.500 5.107 4.999 5.202 . 0 0 "[ . 1]" 1
216 1 21 ASP H 1 24 ARG H . . 5.500 4.891 4.807 4.976 . 0 0 "[ . 1]" 1
217 1 21 ASP HA 1 22 TRP H . . 4.570 3.607 3.582 3.640 . 0 0 "[ . 1]" 1
218 1 21 ASP HA 1 24 ARG H . . 4.750 3.952 3.840 4.043 . 0 0 "[ . 1]" 1
219 1 21 ASP HA 1 24 ARG HD3 . . 4.400 4.124 2.964 5.080 0.680 6 2 "[ -.+ 1]" 1
220 1 21 ASP HA 1 25 ALA H . . 5.300 3.891 3.797 3.973 . 0 0 "[ . 1]" 1
221 1 21 ASP HB3 1 22 TRP H . . 3.660 2.697 2.566 3.292 . 0 0 "[ . 1]" 1
222 1 21 ASP HB3 1 23 LEU H . . 5.500 5.393 5.307 5.731 0.231 3 0 "[ . 1]" 1
223 1 22 TRP H 1 22 TRP HB3 . . 3.850 2.540 2.505 2.583 . 0 0 "[ . 1]" 1
224 1 22 TRP H 1 22 TRP HD1 . . 5.000 4.849 4.817 4.879 . 0 0 "[ . 1]" 1
225 1 22 TRP H 1 23 LEU H . . 4.130 2.852 2.777 2.913 . 0 0 "[ . 1]" 1
226 1 22 TRP H 1 23 LEU HB3 . . 5.500 6.354 6.258 6.449 0.949 6 10 [*****+**-*] 1
227 1 22 TRP H 1 23 LEU QD . . 5.500 4.724 4.176 5.008 . 0 0 "[ . 1]" 1
228 1 22 TRP H 1 24 ARG H . . 4.920 4.258 4.187 4.333 . 0 0 "[ . 1]" 1
229 1 22 TRP H 1 32 ALA MB . . 5.430 5.561 5.505 5.626 0.196 4 0 "[ . 1]" 1
230 1 22 TRP HA 1 22 TRP HD1 . . 4.400 3.413 3.339 3.488 . 0 0 "[ . 1]" 1
231 1 22 TRP HA 1 22 TRP HE1 . . 5.500 5.135 5.050 5.201 . 0 0 "[ . 1]" 1
232 1 22 TRP HA 1 23 LEU H . . 4.510 3.642 3.617 3.666 . 0 0 "[ . 1]" 1
233 1 22 TRP HA 1 25 ALA H . . 4.420 3.541 3.488 3.599 . 0 0 "[ . 1]" 1
234 1 22 TRP HA 1 25 ALA MB . . 3.510 2.673 2.579 2.742 . 0 0 "[ . 1]" 1
235 1 22 TRP HA 1 26 THR HB . . 4.500 4.941 4.848 5.030 0.530 2 1 "[ + . 1]" 1
236 1 22 TRP HB3 1 23 LEU H . . 4.350 2.456 2.408 2.500 . 0 0 "[ . 1]" 1
237 1 22 TRP HB3 1 23 LEU QD . . 3.920 3.717 2.910 4.130 0.210 2 0 "[ . 1]" 1
238 1 22 TRP HD1 1 23 LEU H . . 5.800 5.810 5.761 5.857 0.057 2 0 "[ . 1]" 1
239 1 22 TRP HE3 1 23 LEU HA . . 3.890 2.401 2.320 2.486 . 0 0 "[ . 1]" 1
240 1 22 TRP HE3 1 23 LEU QD . . 3.510 2.281 2.026 2.479 . 0 0 "[ . 1]" 1
241 1 22 TRP HE3 1 23 LEU HG . . 4.640 3.013 2.265 4.621 . 0 0 "[ . 1]" 1
242 1 22 TRP HE3 1 26 THR HB . . 4.370 3.670 3.536 3.812 . 0 0 "[ . 1]" 1
243 1 22 TRP HH2 1 26 THR MG . . 3.330 2.614 2.450 2.753 . 0 0 "[ . 1]" 1
244 1 22 TRP HH2 1 61 ALA MB . . 3.800 2.700 2.541 2.853 . 0 0 "[ . 1]" 1
245 1 22 TRP HH2 1 62 LEU HA . . 3.770 2.516 2.405 2.696 . 0 0 "[ . 1]" 1
246 1 22 TRP HH2 1 62 LEU QD . . 3.650 3.873 3.721 4.112 0.462 2 0 "[ . 1]" 1
247 1 22 TRP HZ2 1 26 THR MG . . 3.700 3.846 3.669 4.043 0.343 4 0 "[ . 1]" 1
248 1 22 TRP HZ2 1 61 ALA MB . . 3.400 2.132 2.015 2.203 . 0 0 "[ . 1]" 1
249 1 22 TRP HZ3 1 23 LEU HA . . 4.630 3.296 3.198 3.353 . 0 0 "[ . 1]" 1
250 1 22 TRP HZ3 1 23 LEU QD . . 3.560 2.197 2.156 2.275 . 0 0 "[ . 1]" 1
251 1 22 TRP HZ3 1 62 LEU H . . 5.500 4.671 4.563 4.865 . 0 0 "[ . 1]" 1
252 1 22 TRP HZ3 1 62 LEU HA . . 3.710 2.311 2.141 2.447 . 0 0 "[ . 1]" 1
253 1 22 TRP HZ3 1 62 LEU QD . . 3.690 2.611 2.471 2.824 . 0 0 "[ . 1]" 1
254 1 23 LEU H 1 23 LEU HB3 . . 4.100 3.599 3.554 3.641 . 0 0 "[ . 1]" 1
255 1 23 LEU H 1 23 LEU QD . . 4.060 2.914 2.341 3.189 . 0 0 "[ . 1]" 1
256 1 23 LEU H 1 23 LEU HG . . 4.200 2.907 2.302 4.182 . 0 0 "[ . 1]" 1
257 1 23 LEU H 1 24 ARG H . . 4.270 2.809 2.716 2.863 . 0 0 "[ . 1]" 1
258 1 23 LEU H 1 24 ARG HA . . 5.500 5.454 5.389 5.477 . 0 0 "[ . 1]" 1
259 1 23 LEU H 1 24 ARG HB3 . . 5.410 4.870 4.737 5.064 . 0 0 "[ . 1]" 1
260 1 23 LEU H 1 25 ALA H . . 5.500 4.396 4.308 4.454 . 0 0 "[ . 1]" 1
261 1 23 LEU H 1 31 TYR HB3 . . 5.700 6.848 6.612 7.045 1.345 4 10 [***+****-*] 1
262 1 23 LEU H 1 32 ALA MB . . 4.600 4.137 4.034 4.286 . 0 0 "[ . 1]" 1
263 1 23 LEU HA 1 23 LEU QD . . 3.380 2.183 2.123 2.219 . 0 0 "[ . 1]" 1
264 1 23 LEU HA 1 23 LEU HG . . 4.180 3.143 2.873 3.729 . 0 0 "[ . 1]" 1
265 1 23 LEU HA 1 26 THR H . . 5.200 3.638 3.578 3.677 . 0 0 "[ . 1]" 1
266 1 23 LEU HA 1 26 THR HB . . 4.300 2.561 2.487 2.647 . 0 0 "[ . 1]" 1
267 1 23 LEU HA 1 28 PHE HD2 . . 4.410 3.457 3.231 3.628 . 0 0 "[ . 1]" 1
268 1 23 LEU HA 1 62 LEU QD . . 4.380 4.238 3.982 4.468 0.088 3 0 "[ . 1]" 1
269 1 23 LEU HB3 1 24 ARG H . . 4.320 3.521 3.297 3.644 . 0 0 "[ . 1]" 1
270 1 23 LEU HB3 1 32 ALA H . . 4.500 3.256 2.992 3.489 . 0 0 "[ . 1]" 1
271 1 23 LEU HB3 1 32 ALA MB . . 3.900 3.293 2.992 3.498 . 0 0 "[ . 1]" 1
272 1 23 LEU QD 1 24 ARG H . . 5.500 4.115 4.041 4.177 . 0 0 "[ . 1]" 1
273 1 23 LEU QD 1 28 PHE H . . 5.480 4.318 3.978 4.518 . 0 0 "[ . 1]" 1
274 1 23 LEU QD 1 28 PHE HB3 . . 4.400 3.542 3.278 3.729 . 0 0 "[ . 1]" 1
275 1 23 LEU QD 1 28 PHE HD2 . . 5.500 3.118 2.878 3.259 . 0 0 "[ . 1]" 1
276 1 23 LEU QD 1 31 TYR H . . 5.500 3.805 3.660 4.133 . 0 0 "[ . 1]" 1
277 1 23 LEU QD 1 31 TYR HB3 . . 4.160 2.367 2.168 2.690 . 0 0 "[ . 1]" 1
278 1 23 LEU QD 1 32 ALA H . . 4.560 2.910 2.543 3.644 . 0 0 "[ . 1]" 1
279 1 23 LEU QD 1 32 ALA HA . . 4.050 2.861 2.506 3.457 . 0 0 "[ . 1]" 1
280 1 23 LEU QD 1 32 ALA MB . . 3.770 2.581 2.322 3.115 . 0 0 "[ . 1]" 1
281 1 23 LEU QD 1 62 LEU QD . . 3.140 2.004 1.952 2.068 . 0 0 "[ . 1]" 1
282 1 23 LEU QD 1 65 ARG HB3 . . 3.620 2.320 2.116 2.577 . 0 0 "[ . 1]" 1
283 1 23 LEU QD 1 66 LEU H . . 6.000 3.373 3.181 3.562 . 0 0 "[ . 1]" 1
284 1 23 LEU QD 1 66 LEU QD . . 3.350 2.338 2.137 2.727 . 0 0 "[ . 1]" 1
285 1 23 LEU QD 1 69 LEU QD . . 3.310 2.060 1.886 2.257 . 0 0 "[ . 1]" 1
286 1 23 LEU HG 1 24 ARG H . . 5.210 4.714 4.518 5.106 . 0 0 "[ . 1]" 1
287 1 24 ARG H 1 24 ARG HB3 . . 3.440 2.469 2.400 2.552 . 0 0 "[ . 1]" 1
288 1 24 ARG H 1 24 ARG HD3 . . 4.660 5.180 4.524 5.868 1.208 6 5 "[** *.+ -]" 1
289 1 24 ARG H 1 25 ALA MB . . 5.460 4.537 4.461 4.586 . 0 0 "[ . 1]" 1
290 1 24 ARG H 1 26 THR H . . 5.500 4.241 4.153 4.352 . 0 0 "[ . 1]" 1
291 1 24 ARG H 1 29 PRO HA . . 4.800 3.892 3.483 4.357 . 0 0 "[ . 1]" 1
292 1 24 ARG H 1 32 ALA MB . . 4.210 3.782 3.597 3.882 . 0 0 "[ . 1]" 1
293 1 24 ARG HA 1 24 ARG HD3 . . 4.600 4.717 4.419 4.951 0.351 6 0 "[ . 1]" 1
294 1 24 ARG HA 1 25 ALA H . . 4.860 3.617 3.598 3.632 . 0 0 "[ . 1]" 1
295 1 24 ARG HA 1 26 THR H . . 5.500 4.556 4.475 4.665 . 0 0 "[ . 1]" 1
296 1 24 ARG HA 1 27 GLY H . . 5.500 3.817 3.649 3.973 . 0 0 "[ . 1]" 1
297 1 24 ARG HA 1 29 PRO HA . . 3.880 2.937 2.592 3.241 . 0 0 "[ . 1]" 1
298 1 24 ARG HB3 1 24 ARG HD3 . . 3.150 2.860 2.105 3.653 0.503 6 1 "[ .+ 1]" 1
299 1 24 ARG HB3 1 25 ALA H . . 3.970 2.478 2.342 2.628 . 0 0 "[ . 1]" 1
300 1 24 ARG HB3 1 26 THR H . . 5.500 4.967 4.866 5.082 . 0 0 "[ . 1]" 1
301 1 24 ARG HB3 1 29 PRO HA . . 4.040 4.816 4.407 5.295 1.255 9 8 "[* *-* **+*]" 1
302 1 24 ARG HB3 1 32 ALA MB . . 3.860 5.091 4.908 5.183 1.323 4 10 [***+***-**] 1
303 1 24 ARG HD3 1 25 ALA H . . 5.500 4.630 3.539 5.461 . 0 0 "[ . 1]" 1
304 1 25 ALA H 1 25 ALA MB . . 3.040 2.209 2.200 2.228 . 0 0 "[ . 1]" 1
305 1 25 ALA H 1 26 THR H . . 3.810 2.735 2.690 2.811 . 0 0 "[ . 1]" 1
306 1 25 ALA H 1 26 THR HA . . 4.990 5.410 5.379 5.480 0.490 2 0 "[ . 1]" 1
307 1 25 ALA H 1 26 THR HB . . 5.500 4.756 4.701 4.819 . 0 0 "[ . 1]" 1
308 1 25 ALA H 1 27 GLY H . . 5.440 4.443 4.260 4.588 . 0 0 "[ . 1]" 1
309 1 25 ALA HA 1 26 THR H . . 4.610 3.551 3.533 3.563 . 0 0 "[ . 1]" 1
310 1 25 ALA HA 1 27 GLY H . . 5.500 4.697 4.285 4.952 . 0 0 "[ . 1]" 1
311 1 25 ALA MB 1 26 THR H . . 3.640 2.735 2.672 2.790 . 0 0 "[ . 1]" 1
312 1 25 ALA MB 1 26 THR HA . . 4.530 4.086 4.047 4.117 . 0 0 "[ . 1]" 1
313 1 25 ALA MB 1 26 THR HB . . 4.600 4.631 4.608 4.655 0.055 4 0 "[ . 1]" 1
314 1 25 ALA MB 1 27 GLY H . . 5.500 4.839 4.613 4.982 . 0 0 "[ . 1]" 1
315 1 26 THR H 1 26 THR HB . . 4.060 2.330 2.308 2.372 . 0 0 "[ . 1]" 1
316 1 26 THR H 1 26 THR MG . . 4.410 3.746 3.733 3.776 . 0 0 "[ . 1]" 1
317 1 26 THR H 1 27 GLY H . . 4.030 2.758 2.675 2.812 . 0 0 "[ . 1]" 1
318 1 26 THR H 1 27 GLY HA3 . . 5.500 5.406 5.378 5.419 . 0 0 "[ . 1]" 1
319 1 26 THR H 1 28 PHE H . . 5.060 4.227 4.115 4.296 . 0 0 "[ . 1]" 1
320 1 26 THR H 1 28 PHE HD2 . . 5.500 5.103 4.992 5.196 . 0 0 "[ . 1]" 1
321 1 26 THR HA 1 26 THR MG . . 3.210 2.584 2.552 2.623 . 0 0 "[ . 1]" 1
322 1 26 THR HB 1 27 GLY H . . 5.350 2.633 2.487 2.835 . 0 0 "[ . 1]" 1
323 1 26 THR HB 1 28 PHE HD2 . . 4.490 3.053 2.952 3.152 . 0 0 "[ . 1]" 1
324 1 26 THR MG 1 28 PHE H . . 5.500 4.059 3.845 4.220 . 0 0 "[ . 1]" 1
325 1 26 THR MG 1 28 PHE HD2 . . 3.980 2.421 2.327 2.568 . 0 0 "[ . 1]" 1
326 1 26 THR MG 1 62 LEU HA . . 5.000 4.031 3.719 4.342 . 0 0 "[ . 1]" 1
327 1 27 GLY H 1 28 PHE H . . 3.770 1.900 1.867 1.946 . 0 0 "[ . 1]" 1
328 1 27 GLY H 1 28 PHE HA . . 5.500 4.717 4.678 4.778 . 0 0 "[ . 1]" 1
329 1 27 GLY H 1 28 PHE HD2 . . 4.500 3.574 3.393 3.943 . 0 0 "[ . 1]" 1
330 1 27 GLY H 1 29 PRO HD3 . . 4.800 4.214 3.745 4.480 . 0 0 "[ . 1]" 1
331 1 27 GLY HA2 1 28 PHE H . . 4.720 3.152 3.108 3.187 . 0 0 "[ . 1]" 1
332 1 27 GLY HA3 1 28 PHE H . . 4.280 3.489 3.434 3.525 . 0 0 "[ . 1]" 1
333 1 27 GLY HA3 1 28 PHE HD2 . . 4.740 4.308 4.136 4.593 . 0 0 "[ . 1]" 1
334 1 27 GLY HA3 1 28 PHE HE2 . . 4.200 4.505 4.166 4.863 0.663 6 2 "[ - .+ 1]" 1
335 1 28 PHE H 1 28 PHE HD2 . . 4.310 3.210 3.079 3.279 . 0 0 "[ . 1]" 1
336 1 28 PHE H 1 29 PRO HD3 . . 3.800 3.033 2.923 3.158 . 0 0 "[ . 1]" 1
337 1 28 PHE HA 1 28 PHE HD2 . . 4.200 4.386 4.292 4.466 0.266 2 0 "[ . 1]" 1
338 1 28 PHE HA 1 29 PRO HD3 . . 5.000 3.171 3.024 3.363 . 0 0 "[ . 1]" 1
339 1 28 PHE HA 1 30 GLN H . . 5.020 3.275 3.228 3.378 . 0 0 "[ . 1]" 1
340 1 28 PHE HB3 1 31 TYR H . . 5.310 3.002 2.724 3.156 . 0 0 "[ . 1]" 1
341 1 28 PHE HB3 1 31 TYR HD1 . . 4.900 5.271 5.062 5.423 0.523 3 1 "[ + . 1]" 1
342 1 28 PHE HB3 1 31 TYR HE1 . . 5.300 5.805 5.716 5.959 0.659 3 4 "[ *+ . * -]" 1
343 1 28 PHE HB3 1 62 LEU QD . . 4.700 3.925 3.613 4.179 . 0 0 "[ . 1]" 1
344 1 28 PHE HD2 1 62 LEU QD . . 4.240 3.304 2.732 3.797 . 0 0 "[ . 1]" 1
345 1 28 PHE HZ 1 54 LEU QD . . 3.390 2.031 1.855 2.113 . 0 0 "[ . 1]" 1
346 1 28 PHE HZ 1 62 LEU QD . . 3.600 3.700 3.437 3.998 0.398 2 0 "[ . 1]" 1
347 1 29 PRO HA 1 30 GLN H . . 5.170 3.477 3.456 3.509 . 0 0 "[ . 1]" 1
348 1 29 PRO HA 1 31 TYR H . . 5.390 4.301 4.125 4.432 . 0 0 "[ . 1]" 1
349 1 29 PRO HA 1 32 ALA H . . 4.590 3.789 3.706 3.867 . 0 0 "[ . 1]" 1
350 1 29 PRO HA 1 32 ALA MB . . 3.780 3.180 3.005 3.306 . 0 0 "[ . 1]" 1
351 1 29 PRO HA 1 33 GLN H . . 5.500 4.643 4.508 4.875 . 0 0 "[ . 1]" 1
352 1 29 PRO HD3 1 30 GLN H . . 5.000 4.039 3.979 4.093 . 0 0 "[ . 1]" 1
353 1 29 PRO HG3 1 30 GLN H . . 5.000 4.456 4.339 4.526 . 0 0 "[ . 1]" 1
354 1 30 GLN H 1 30 GLN HB3 . . 3.820 2.335 2.313 2.354 . 0 0 "[ . 1]" 1
355 1 30 GLN H 1 30 GLN HG3 . . 4.890 4.390 4.364 4.409 . 0 0 "[ . 1]" 1
356 1 30 GLN H 1 31 TYR H . . 4.160 2.814 2.756 2.864 . 0 0 "[ . 1]" 1
357 1 30 GLN H 1 32 ALA H . . 5.350 4.469 4.378 4.565 . 0 0 "[ . 1]" 1
358 1 30 GLN HA 1 30 GLN QE . . 4.420 2.847 2.636 3.336 . 0 0 "[ . 1]" 1
359 1 30 GLN HA 1 30 GLN HG3 . . 4.250 3.321 3.292 3.351 . 0 0 "[ . 1]" 1
360 1 30 GLN HA 1 31 TYR H . . 4.360 3.641 3.630 3.652 . 0 0 "[ . 1]" 1
361 1 30 GLN HA 1 33 GLN HB3 . . 4.370 3.143 2.539 3.875 . 0 0 "[ . 1]" 1
362 1 30 GLN HB3 1 31 TYR H . . 4.860 2.812 2.732 2.905 . 0 0 "[ . 1]" 1
363 1 30 GLN QE 1 31 TYR H . . 5.410 4.566 4.441 4.848 . 0 0 "[ . 1]" 1
364 1 30 GLN QE 1 31 TYR HA . . 4.390 3.867 3.747 4.002 . 0 0 "[ . 1]" 1
365 1 30 GLN QE 1 33 GLN HA . . 4.800 4.821 4.701 5.083 0.283 2 0 "[ . 1]" 1
366 1 30 GLN QE 1 33 GLN HB3 . . 4.600 2.536 2.303 2.901 . 0 0 "[ . 1]" 1
367 1 30 GLN QE 1 34 LEU HA . . 3.810 3.559 3.471 3.649 . 0 0 "[ . 1]" 1
368 1 30 GLN QE 1 34 LEU HB3 . . 3.610 4.390 4.209 4.584 0.974 3 10 [**+**-****] 1
369 1 30 GLN QE 1 34 LEU MD1 . . 3.840 2.429 2.143 2.685 . 0 0 "[ . 1]" 1
370 1 30 GLN QE 1 34 LEU MD2 . . 3.990 3.531 3.301 3.643 . 0 0 "[ . 1]" 1
371 1 30 GLN QE 1 34 LEU HG . . 4.030 2.102 1.868 2.191 . 0 0 "[ . 1]" 1
372 1 30 GLN HG3 1 31 TYR H . . 4.390 3.725 3.618 3.857 . 0 0 "[ . 1]" 1
373 1 30 GLN HG3 1 32 ALA H . . 5.200 5.640 5.598 5.738 0.538 10 1 "[ . +]" 1
374 1 31 TYR H 1 31 TYR HD1 . . 4.190 4.119 4.015 4.262 0.072 2 0 "[ . 1]" 1
375 1 31 TYR H 1 32 ALA H . . 3.690 2.697 2.607 2.762 . 0 0 "[ . 1]" 1
376 1 31 TYR H 1 32 ALA MB . . 4.460 4.255 4.196 4.285 . 0 0 "[ . 1]" 1
377 1 31 TYR H 1 33 GLN H . . 5.110 4.109 4.023 4.211 . 0 0 "[ . 1]" 1
378 1 31 TYR H 1 34 LEU H . . 5.500 4.735 4.681 4.773 . 0 0 "[ . 1]" 1
379 1 31 TYR HA 1 31 TYR HD1 . . 3.570 2.159 2.122 2.192 . 0 0 "[ . 1]" 1
380 1 31 TYR HA 1 32 ALA H . . 4.770 3.543 3.523 3.557 . 0 0 "[ . 1]" 1
381 1 31 TYR HA 1 34 LEU H . . 4.690 3.269 3.150 3.380 . 0 0 "[ . 1]" 1
382 1 31 TYR HA 1 34 LEU HB3 . . 4.230 4.032 3.932 4.150 . 0 0 "[ . 1]" 1
383 1 31 TYR HA 1 34 LEU MD1 . . 3.750 2.365 2.297 2.475 . 0 0 "[ . 1]" 1
384 1 31 TYR HA 1 34 LEU MD2 . . 4.700 4.739 4.692 4.834 0.134 9 0 "[ . 1]" 1
385 1 31 TYR HA 1 34 LEU HG . . 4.560 4.324 4.206 4.432 . 0 0 "[ . 1]" 1
386 1 31 TYR HA 1 35 TYR H . . 5.500 4.371 4.261 4.455 . 0 0 "[ . 1]" 1
387 1 31 TYR HB3 1 32 ALA H . . 4.730 3.484 3.356 3.583 . 0 0 "[ . 1]" 1
388 1 31 TYR HB3 1 66 LEU QD . . 3.670 2.035 1.987 2.083 . 0 0 "[ . 1]" 1
389 1 31 TYR HD1 1 32 ALA H . . 5.100 5.394 5.358 5.416 0.316 6 0 "[ . 1]" 1
390 1 31 TYR HD1 1 34 LEU MD1 . . 3.650 2.511 2.372 2.575 . 0 0 "[ . 1]" 1
391 1 31 TYR HD1 1 34 LEU MD2 . . 4.700 4.702 4.543 4.796 0.096 9 0 "[ . 1]" 1
392 1 31 TYR HD1 1 42 ILE MD . . 4.970 3.837 3.744 3.967 . 0 0 "[ . 1]" 1
393 1 31 TYR HD1 1 47 VAL QG . . 4.700 3.994 3.804 4.376 . 0 0 "[ . 1]" 1
394 1 31 TYR HD1 1 62 LEU QD . . 4.700 4.514 4.388 4.634 . 0 0 "[ . 1]" 1
395 1 31 TYR HD1 1 66 LEU QD . . 4.560 2.693 2.630 2.843 . 0 0 "[ . 1]" 1
396 1 31 TYR HE1 1 34 LEU MD1 . . 4.240 3.591 3.361 3.726 . 0 0 "[ . 1]" 1
397 1 31 TYR HE1 1 42 ILE MD . . 3.710 3.659 3.503 3.839 0.129 4 0 "[ . 1]" 1
398 1 31 TYR HE1 1 47 VAL QG . . 3.860 2.606 2.417 2.955 . 0 0 "[ . 1]" 1
399 1 31 TYR HE1 1 62 LEU QD . . 4.110 4.250 4.124 4.450 0.340 3 0 "[ . 1]" 1
400 1 31 TYR HE1 1 66 LEU QD . . 4.480 3.092 2.914 3.279 . 0 0 "[ . 1]" 1
401 1 32 ALA H 1 32 ALA MB . . 3.210 2.166 2.139 2.182 . 0 0 "[ . 1]" 1
402 1 32 ALA H 1 33 GLN H . . 3.710 2.711 2.661 2.768 . 0 0 "[ . 1]" 1
403 1 32 ALA H 1 33 GLN HA . . 5.500 5.343 5.309 5.386 . 0 0 "[ . 1]" 1
404 1 32 ALA H 1 34 LEU H . . 5.380 4.209 4.153 4.292 . 0 0 "[ . 1]" 1
405 1 32 ALA HA 1 33 GLN H . . 4.200 3.590 3.548 3.617 . 0 0 "[ . 1]" 1
406 1 32 ALA HA 1 35 TYR H . . 4.310 3.605 3.487 3.796 . 0 0 "[ . 1]" 1
407 1 32 ALA HA 1 35 TYR HB3 . . 4.190 3.091 2.974 3.306 . 0 0 "[ . 1]" 1
408 1 32 ALA HA 1 69 LEU QD . . 5.500 2.779 2.583 3.348 . 0 0 "[ . 1]" 1
409 1 32 ALA MB 1 33 GLN H . . 3.540 2.484 2.374 2.626 . 0 0 "[ . 1]" 1
410 1 32 ALA MB 1 34 LEU H . . 5.480 4.578 4.535 4.649 . 0 0 "[ . 1]" 1
411 1 32 ALA MB 1 35 TYR H . . 4.670 4.705 4.627 4.817 0.147 8 0 "[ . 1]" 1
412 1 33 GLN H 1 33 GLN HB3 . . 3.700 3.043 2.567 3.564 . 0 0 "[ . 1]" 1
413 1 33 GLN H 1 34 LEU H . . 3.000 2.764 2.600 2.883 . 0 0 "[ . 1]" 1
414 1 33 GLN H 1 34 LEU HG . . 5.200 5.497 5.398 5.571 0.371 4 0 "[ . 1]" 1
415 1 33 GLN H 1 35 TYR H . . 5.320 4.275 4.075 4.466 . 0 0 "[ . 1]" 1
416 1 33 GLN H 1 36 GLU H . . 5.500 4.672 4.537 4.760 . 0 0 "[ . 1]" 1
417 1 33 GLN HA 1 33 GLN HE21 . . 5.500 4.013 2.896 4.986 . 0 0 "[ . 1]" 1
418 1 33 GLN HA 1 33 GLN HE22 . . 5.500 4.681 3.909 5.527 0.027 10 0 "[ . 1]" 1
419 1 33 GLN HA 1 33 GLN HG3 . . 4.290 2.617 2.198 3.627 . 0 0 "[ . 1]" 1
420 1 33 GLN HA 1 34 LEU H . . 4.760 3.578 3.560 3.594 . 0 0 "[ . 1]" 1
421 1 33 GLN HA 1 34 LEU HA . . 4.800 4.882 4.834 4.944 0.144 3 0 "[ . 1]" 1
422 1 33 GLN HA 1 36 GLU H . . 4.250 3.268 3.111 3.463 . 0 0 "[ . 1]" 1
423 1 33 GLN HA 1 36 GLU HB3 . . 4.540 3.588 2.163 4.080 . 0 0 "[ . 1]" 1
424 1 33 GLN HA 1 36 GLU HG3 . . 4.640 3.970 3.311 5.129 0.489 7 0 "[ . 1]" 1
425 1 33 GLN HB3 1 33 GLN HE22 . . 5.500 4.838 3.819 5.447 . 0 0 "[ . 1]" 1
426 1 33 GLN HE21 1 33 GLN HG3 . . 3.610 2.800 2.248 3.515 . 0 0 "[ . 1]" 1
427 1 34 LEU H 1 34 LEU HB3 . . 3.790 3.470 3.450 3.497 . 0 0 "[ . 1]" 1
428 1 34 LEU H 1 34 LEU MD2 . . 4.240 4.204 4.168 4.238 . 0 0 "[ . 1]" 1
429 1 34 LEU H 1 34 LEU HG . . 3.840 3.016 2.934 3.097 . 0 0 "[ . 1]" 1
430 1 34 LEU H 1 35 TYR H . . 3.840 2.797 2.740 2.853 . 0 0 "[ . 1]" 1
431 1 34 LEU H 1 35 TYR HB3 . . 5.500 4.948 4.855 5.034 . 0 0 "[ . 1]" 1
432 1 34 LEU H 1 36 GLU H . . 4.990 4.326 4.266 4.389 . 0 0 "[ . 1]" 1
433 1 34 LEU H 1 37 ASP H . . 5.100 4.749 4.709 4.794 . 0 0 "[ . 1]" 1
434 1 34 LEU HA 1 34 LEU MD1 . . 3.920 3.786 3.779 3.798 . 0 0 "[ . 1]" 1
435 1 34 LEU HA 1 34 LEU MD2 . . 3.300 2.493 2.414 2.582 . 0 0 "[ . 1]" 1
436 1 34 LEU HA 1 34 LEU HG . . 3.940 2.418 2.396 2.443 . 0 0 "[ . 1]" 1
437 1 34 LEU HA 1 35 TYR H . . 4.200 3.588 3.574 3.600 . 0 0 "[ . 1]" 1
438 1 34 LEU HA 1 35 TYR HA . . 4.600 4.740 4.712 4.777 0.177 3 0 "[ . 1]" 1
439 1 34 LEU HA 1 37 ASP H . . 4.610 3.697 3.619 3.764 . 0 0 "[ . 1]" 1
440 1 34 LEU HA 1 37 ASP HB3 . . 4.300 3.476 3.049 4.316 0.016 5 0 "[ . 1]" 1
441 1 34 LEU HA 1 38 PHE H . . 5.600 4.915 4.854 5.015 . 0 0 "[ . 1]" 1
442 1 34 LEU HB3 1 34 LEU MD1 . . 3.530 2.705 2.680 2.757 . 0 0 "[ . 1]" 1
443 1 34 LEU HB3 1 35 TYR H . . 4.280 3.366 3.334 3.420 . 0 0 "[ . 1]" 1
444 1 34 LEU HB3 1 40 PHE QD . . 4.960 2.980 2.918 3.038 . 0 0 "[ . 1]" 1
445 1 34 LEU HB3 1 40 PHE QE . . 5.200 3.048 3.013 3.125 . 0 0 "[ . 1]" 1
446 1 34 LEU HB3 1 42 ILE MD . . 4.690 4.756 4.640 4.948 0.258 3 0 "[ . 1]" 1
447 1 34 LEU MD1 1 35 TYR H . . 5.210 4.683 4.631 4.732 . 0 0 "[ . 1]" 1
448 1 34 LEU MD1 1 42 ILE MD . . 3.640 3.899 3.824 4.042 0.402 3 0 "[ . 1]" 1
449 1 34 LEU MD1 1 42 ILE MG . . 3.600 4.030 3.958 4.158 0.558 2 1 "[ + . 1]" 1
450 1 34 LEU MD2 1 40 PHE H . . 4.700 5.105 5.019 5.206 0.506 4 1 "[ +. 1]" 1
451 1 34 LEU MD2 1 40 PHE QD . . 4.590 2.331 2.221 2.398 . 0 0 "[ . 1]" 1
452 1 34 LEU MD2 1 40 PHE QE . . 4.720 2.834 2.714 3.012 . 0 0 "[ . 1]" 1
453 1 35 TYR H 1 35 TYR HB3 . . 3.830 2.388 2.337 2.447 . 0 0 "[ . 1]" 1
454 1 35 TYR H 1 35 TYR QD . . 4.820 4.191 4.160 4.227 . 0 0 "[ . 1]" 1
455 1 35 TYR H 1 36 GLU H . . 3.980 2.664 2.560 2.778 . 0 0 "[ . 1]" 1
456 1 35 TYR H 1 40 PHE QD . . 5.300 3.771 3.672 3.861 . 0 0 "[ . 1]" 1
457 1 35 TYR H 1 69 LEU QD . . 5.300 3.747 3.508 4.483 . 0 0 "[ . 1]" 1
458 1 35 TYR HA 1 35 TYR QD . . 4.200 2.884 2.801 3.011 . 0 0 "[ . 1]" 1
459 1 35 TYR HA 1 36 GLU H . . 4.650 3.631 3.599 3.655 . 0 0 "[ . 1]" 1
460 1 35 TYR HA 1 37 ASP H . . 5.130 4.058 3.960 4.232 . 0 0 "[ . 1]" 1
461 1 35 TYR HA 1 38 PHE H . . 5.300 3.666 3.576 3.825 . 0 0 "[ . 1]" 1
462 1 35 TYR HA 1 39 LEU H . . 5.000 2.978 2.847 3.114 . 0 0 "[ . 1]" 1
463 1 35 TYR HA 1 40 PHE H . . 4.500 2.169 2.091 2.260 . 0 0 "[ . 1]" 1
464 1 35 TYR HA 1 40 PHE QD . . 4.000 2.374 2.342 2.419 . 0 0 "[ . 1]" 1
465 1 35 TYR HB3 1 36 GLU H . . 4.280 2.566 2.492 2.658 . 0 0 "[ . 1]" 1
466 1 35 TYR HB3 1 69 LEU QD . . 4.370 2.557 2.187 3.098 . 0 0 "[ . 1]" 1
467 1 35 TYR QD 1 36 GLU H . . 5.400 3.118 2.995 3.266 . 0 0 "[ . 1]" 1
468 1 35 TYR QD 1 40 PHE H . . 5.000 3.347 3.116 3.483 . 0 0 "[ . 1]" 1
469 1 35 TYR QD 1 69 LEU QD . . 4.590 2.888 2.581 3.236 . 0 0 "[ . 1]" 1
470 1 35 TYR QD 1 73 ALA H . . 5.500 4.391 4.066 4.737 . 0 0 "[ . 1]" 1
471 1 35 TYR QD 1 73 ALA MB . . 4.420 3.013 2.879 3.201 . 0 0 "[ . 1]" 1
472 1 35 TYR QE 1 69 LEU HA . . 4.510 2.639 2.447 2.749 . 0 0 "[ . 1]" 1
473 1 35 TYR QE 1 69 LEU QD . . 4.170 3.107 2.789 3.518 . 0 0 "[ . 1]" 1
474 1 35 TYR QE 1 72 CYS H . . 5.500 4.100 3.807 4.221 . 0 0 "[ . 1]" 1
475 1 35 TYR QE 1 73 ALA H . . 4.330 3.419 2.996 3.826 . 0 0 "[ . 1]" 1
476 1 35 TYR QE 1 73 ALA HA . . 4.080 4.065 3.874 4.317 0.237 9 0 "[ . 1]" 1
477 1 35 TYR QE 1 73 ALA MB . . 3.560 3.422 3.216 3.653 0.093 3 0 "[ . 1]" 1
478 1 36 GLU H 1 36 GLU HB3 . . 3.870 3.346 2.328 3.616 . 0 0 "[ . 1]" 1
479 1 36 GLU H 1 36 GLU HG3 . . 4.010 3.346 2.397 4.519 0.509 7 1 "[ . + 1]" 1
480 1 36 GLU H 1 37 ASP H . . 4.060 2.822 2.753 2.910 . 0 0 "[ . 1]" 1
481 1 36 GLU HA 1 36 GLU HG3 . . 3.890 3.341 2.613 3.795 . 0 0 "[ . 1]" 1
482 1 36 GLU HA 1 37 ASP H . . 4.790 3.496 3.470 3.535 . 0 0 "[ . 1]" 1
483 1 36 GLU HA 1 38 PHE H . . 4.510 4.604 4.502 4.705 0.195 1 0 "[ . 1]" 1
484 1 36 GLU HB3 1 37 ASP H . . 4.590 3.793 3.038 4.026 . 0 0 "[ . 1]" 1
485 1 37 ASP H 1 37 ASP HB3 . . 4.190 2.814 2.462 3.503 . 0 0 "[ . 1]" 1
486 1 37 ASP H 1 38 PHE H . . 3.950 2.961 2.895 3.043 . 0 0 "[ . 1]" 1
487 1 37 ASP H 1 38 PHE HA . . 5.400 5.279 5.239 5.358 . 0 0 "[ . 1]" 1
488 1 37 ASP H 1 39 LEU H . . 5.500 4.095 4.030 4.156 . 0 0 "[ . 1]" 1
489 1 37 ASP H 1 40 PHE H . . 5.500 5.491 5.383 5.677 0.177 7 0 "[ . 1]" 1
490 1 37 ASP HA 1 38 PHE H . . 4.320 3.618 3.592 3.635 . 0 0 "[ . 1]" 1
491 1 37 ASP HB3 1 38 PHE H . . 5.460 2.460 2.247 2.985 . 0 0 "[ . 1]" 1
492 1 38 PHE H 1 38 PHE HB3 . . 4.400 3.647 3.533 3.723 . 0 0 "[ . 1]" 1
493 1 38 PHE H 1 38 PHE HD1 . . 5.090 5.165 5.102 5.243 0.153 1 0 "[ . 1]" 1
494 1 38 PHE H 1 39 LEU H . . 3.850 2.030 1.910 2.205 . 0 0 "[ . 1]" 1
495 1 38 PHE H 1 39 LEU MD2 . . 5.500 5.026 3.947 6.119 0.619 10 3 "[* . -+]" 1
496 1 38 PHE H 1 40 PHE H . . 5.100 4.012 3.886 4.131 . 0 0 "[ . 1]" 1
497 1 38 PHE HA 1 38 PHE HD1 . . 4.110 2.804 2.610 3.074 . 0 0 "[ . 1]" 1
498 1 38 PHE HA 1 39 LEU H . . 3.700 2.955 2.895 3.054 . 0 0 "[ . 1]" 1
499 1 38 PHE HB3 1 38 PHE HE1 . . 5.170 4.932 4.895 4.968 . 0 0 "[ . 1]" 1
500 1 38 PHE HB3 1 39 LEU H . . 4.690 4.246 4.132 4.339 . 0 0 "[ . 1]" 1
501 1 38 PHE HB3 1 40 PHE H . . 5.500 5.523 5.338 5.799 0.299 3 0 "[ . 1]" 1
502 1 39 LEU H 1 39 LEU HB3 . . 3.910 3.907 3.859 3.963 0.053 10 0 "[ . 1]" 1
503 1 39 LEU H 1 39 LEU MD1 . . 4.400 2.988 2.200 4.510 0.110 8 0 "[ . 1]" 1
504 1 39 LEU H 1 39 LEU MD2 . . 3.950 3.500 2.358 4.495 0.545 10 1 "[ . +]" 1
505 1 39 LEU H 1 39 LEU HG . . 4.320 3.571 2.670 4.421 0.101 2 0 "[ . 1]" 1
506 1 39 LEU HA 1 39 LEU MD1 . . 3.990 3.211 2.403 3.942 . 0 0 "[ . 1]" 1
507 1 39 LEU HA 1 39 LEU MD2 . . 3.400 3.448 2.473 3.788 0.388 6 0 "[ . 1]" 1
508 1 39 LEU HA 1 39 LEU HG . . 4.060 3.302 2.700 3.718 . 0 0 "[ . 1]" 1
509 1 39 LEU HA 1 40 PHE H . . 3.910 2.245 2.207 2.295 . 0 0 "[ . 1]" 1
510 1 39 LEU HB3 1 39 LEU MD1 . . 3.440 2.847 2.308 3.249 . 0 0 "[ . 1]" 1
511 1 39 LEU HB3 1 40 PHE H . . 4.100 4.025 3.979 4.105 0.005 1 0 "[ . 1]" 1
512 1 39 LEU HB3 1 73 ALA MB . . 4.030 2.504 2.391 2.631 . 0 0 "[ . 1]" 1
513 1 39 LEU MD1 1 39 LEU MD2 . . 2.690 2.027 1.998 2.052 . 0 0 "[ . 1]" 1
514 1 39 LEU MD2 1 40 PHE H . . 5.500 5.147 4.377 5.459 . 0 0 "[ . 1]" 1
515 1 40 PHE H 1 40 PHE HB3 . . 3.760 2.485 2.428 2.558 . 0 0 "[ . 1]" 1
516 1 40 PHE H 1 40 PHE QD . . 4.230 1.875 1.803 1.941 . 0 0 "[ . 1]" 1
517 1 40 PHE H 1 41 PRO HA . . 5.370 5.473 5.374 5.540 0.170 2 0 "[ . 1]" 1
518 1 40 PHE H 1 73 ALA MB . . 4.380 3.265 3.069 3.408 . 0 0 "[ . 1]" 1
519 1 40 PHE HA 1 40 PHE QD . . 4.040 3.761 3.746 3.780 . 0 0 "[ . 1]" 1
520 1 40 PHE HA 1 41 PRO HA . . 5.500 4.566 4.552 4.606 . 0 0 "[ . 1]" 1
521 1 40 PHE HA 1 42 ILE H . . 5.200 4.948 4.828 5.018 . 0 0 "[ . 1]" 1
522 1 40 PHE HA 1 42 ILE MG . . 4.100 4.378 4.357 4.412 0.312 3 0 "[ . 1]" 1
523 1 40 PHE HA 1 73 ALA MB . . 4.450 3.261 3.143 3.333 . 0 0 "[ . 1]" 1
524 1 40 PHE HB3 1 42 ILE H . . 6.000 5.667 5.497 5.767 . 0 0 "[ . 1]" 1
525 1 40 PHE HB3 1 73 ALA MB . . 4.500 4.729 4.610 4.799 0.299 2 0 "[ . 1]" 1
526 1 40 PHE QD 1 41 PRO HA . . 4.400 5.029 4.999 5.061 0.661 3 10 [**+***-***] 1
527 1 40 PHE QD 1 42 ILE H . . 4.730 4.222 4.101 4.290 . 0 0 "[ . 1]" 1
528 1 40 PHE QD 1 42 ILE MD . . 4.600 3.558 3.487 3.650 . 0 0 "[ . 1]" 1
529 1 40 PHE QD 1 42 ILE MG . . 4.200 2.237 2.167 2.266 . 0 0 "[ . 1]" 1
530 1 40 PHE QD 1 70 ASN H . . 5.200 5.461 5.333 5.639 0.439 3 0 "[ . 1]" 1
531 1 40 PHE QD 1 70 ASN HA . . 3.940 4.603 4.524 4.686 0.746 3 10 [**+****-**] 1
532 1 40 PHE QD 1 73 ALA MB . . 4.010 3.666 3.586 3.733 . 0 0 "[ . 1]" 1
533 1 40 PHE QE 1 42 ILE H . . 5.500 4.744 4.689 4.778 . 0 0 "[ . 1]" 1
534 1 40 PHE QE 1 42 ILE MD . . 3.780 2.374 2.320 2.430 . 0 0 "[ . 1]" 1
535 1 40 PHE QE 1 42 ILE MG . . 3.950 2.408 2.364 2.505 . 0 0 "[ . 1]" 1
536 1 40 PHE QE 1 66 LEU HA . . 4.120 4.406 4.341 4.457 0.337 7 0 "[ . 1]" 1
537 1 40 PHE QE 1 66 LEU QD . . 3.550 2.950 2.665 3.136 . 0 0 "[ . 1]" 1
538 1 40 PHE QE 1 69 LEU HB3 . . 4.430 2.929 2.530 3.123 . 0 0 "[ . 1]" 1
539 1 40 PHE QE 1 69 LEU QD . . 4.130 2.923 2.727 3.357 . 0 0 "[ . 1]" 1
540 1 40 PHE QE 1 70 ASN H . . 5.000 4.913 4.740 5.087 0.087 3 0 "[ . 1]" 1
541 1 40 PHE QE 1 70 ASN HA . . 4.960 5.189 5.081 5.261 0.301 3 0 "[ . 1]" 1
542 1 40 PHE HZ 1 66 LEU QD . . 3.220 2.323 2.113 2.555 . 0 0 "[ . 1]" 1
543 1 40 PHE HZ 1 69 LEU QD . . 4.800 4.266 4.001 4.572 . 0 0 "[ . 1]" 1
544 1 41 PRO HA 1 42 ILE H . . 3.690 2.461 2.371 2.615 . 0 0 "[ . 1]" 1
545 1 41 PRO HA 1 42 ILE MG . . 4.340 4.076 3.997 4.204 . 0 0 "[ . 1]" 1
546 1 41 PRO HA 1 70 ASN H . . 5.500 4.979 4.808 5.096 . 0 0 "[ . 1]" 1
547 1 41 PRO HA 1 70 ASN HA . . 4.650 2.241 2.085 2.379 . 0 0 "[ . 1]" 1
548 1 41 PRO HA 1 73 ALA MB . . 4.020 2.293 2.254 2.445 . 0 0 "[ . 1]" 1
549 1 41 PRO HA 1 74 VAL H . . 5.500 4.542 4.291 4.775 . 0 0 "[ . 1]" 1
550 1 41 PRO HB3 1 42 ILE H . . 4.300 4.610 4.545 4.704 0.404 3 0 "[ . 1]" 1
551 1 41 PRO HB3 1 70 ASN HA . . 5.200 3.878 3.692 4.012 . 0 0 "[ . 1]" 1
552 1 41 PRO HB3 1 74 VAL H . . 5.500 3.305 3.155 3.521 . 0 0 "[ . 1]" 1
553 1 41 PRO HD3 1 73 ALA MB . . 4.500 2.338 2.234 2.435 . 0 0 "[ . 1]" 1
554 1 41 PRO HD3 1 74 VAL QG . . 4.500 4.524 4.476 4.585 0.085 5 0 "[ . 1]" 1
555 1 41 PRO HG3 1 74 VAL QG . . 4.500 3.008 2.681 3.206 . 0 0 "[ . 1]" 1
556 1 42 ILE H 1 42 ILE MD . . 3.970 3.307 3.209 3.484 . 0 0 "[ . 1]" 1
557 1 42 ILE H 1 42 ILE HG13 . . 4.850 4.123 4.082 4.179 . 0 0 "[ . 1]" 1
558 1 42 ILE H 1 42 ILE MG . . 3.600 2.122 2.031 2.166 . 0 0 "[ . 1]" 1
559 1 42 ILE H 1 43 ASP H . . 5.500 4.621 4.600 4.642 . 0 0 "[ . 1]" 1
560 1 42 ILE H 1 70 ASN HA . . 5.410 3.333 3.070 3.536 . 0 0 "[ . 1]" 1
561 1 42 ILE H 1 70 ASN HD21 . . 5.260 4.650 4.545 4.842 . 0 0 "[ . 1]" 1
562 1 42 ILE H 1 70 ASN HD22 . . 4.650 4.184 4.071 4.263 . 0 0 "[ . 1]" 1
563 1 42 ILE H 1 73 ALA MB . . 4.480 4.036 3.963 4.171 . 0 0 "[ . 1]" 1
564 1 42 ILE HA 1 42 ILE MD . . 4.130 4.249 4.234 4.271 0.141 5 0 "[ . 1]" 1
565 1 42 ILE HA 1 42 ILE HG13 . . 4.280 3.806 3.757 3.836 . 0 0 "[ . 1]" 1
566 1 42 ILE HA 1 42 ILE MG . . 3.460 2.460 2.431 2.496 . 0 0 "[ . 1]" 1
567 1 42 ILE HA 1 43 ASP H . . 3.240 2.417 2.369 2.451 . 0 0 "[ . 1]" 1
568 1 42 ILE HA 1 43 ASP HB3 . . 4.900 4.817 4.745 4.910 0.010 10 0 "[ . 1]" 1
569 1 42 ILE HB 1 42 ILE MD . . 3.340 2.867 2.812 2.930 . 0 0 "[ . 1]" 1
570 1 42 ILE HB 1 43 ASP H . . 4.070 2.415 2.334 2.535 . 0 0 "[ . 1]" 1
571 1 42 ILE HB 1 46 LEU QD . . 4.140 2.598 2.181 3.288 . 0 0 "[ . 1]" 1
572 1 42 ILE HB 1 47 VAL H . . 5.500 4.863 4.645 4.980 . 0 0 "[ . 1]" 1
573 1 42 ILE HB 1 47 VAL QG . . 3.530 3.719 3.471 3.958 0.428 7 0 "[ . 1]" 1
574 1 42 ILE MD 1 42 ILE MG . . 2.970 2.012 2.001 2.027 . 0 0 "[ . 1]" 1
575 1 42 ILE MD 1 43 ASP H . . 4.300 4.412 4.348 4.486 0.186 1 0 "[ . 1]" 1
576 1 42 ILE MD 1 44 ILE HA . . 4.500 4.206 4.107 4.326 . 0 0 "[ . 1]" 1
577 1 42 ILE MD 1 44 ILE MD . . 3.450 3.307 3.132 3.465 0.015 10 0 "[ . 1]" 1
578 1 42 ILE MD 1 47 VAL QG . . 3.090 1.984 1.931 2.049 . 0 0 "[ . 1]" 1
579 1 42 ILE MD 1 66 LEU QD . . 3.080 2.003 1.945 2.059 . 0 0 "[ . 1]" 1
580 1 42 ILE MD 1 70 ASN HD22 . . 3.900 2.486 2.273 2.636 . 0 0 "[ . 1]" 1
581 1 42 ILE HG13 1 42 ILE MG . . 3.740 3.164 3.140 3.181 . 0 0 "[ . 1]" 1
582 1 42 ILE HG13 1 43 ASP H . . 4.610 3.031 2.926 3.109 . 0 0 "[ . 1]" 1
583 1 42 ILE HG13 1 44 ILE H . . 4.540 4.423 4.318 4.550 0.010 6 0 "[ . 1]" 1
584 1 42 ILE HG13 1 70 ASN HD21 . . 5.500 4.343 4.221 4.422 . 0 0 "[ . 1]" 1
585 1 42 ILE HG13 1 70 ASN HD22 . . 4.730 3.319 3.242 3.398 . 0 0 "[ . 1]" 1
586 1 42 ILE MG 1 43 ASP H . . 4.150 3.873 3.817 3.942 . 0 0 "[ . 1]" 1
587 1 42 ILE MG 1 47 VAL QG . . 4.090 3.634 3.535 3.798 . 0 0 "[ . 1]" 1
588 1 42 ILE MG 1 66 LEU QD . . 4.100 4.088 3.904 4.181 0.081 8 0 "[ . 1]" 1
589 1 42 ILE MG 1 70 ASN HD22 . . 4.700 4.345 4.240 4.437 . 0 0 "[ . 1]" 1
590 1 43 ASP H 1 43 ASP HB3 . . 3.910 2.542 2.455 2.621 . 0 0 "[ . 1]" 1
591 1 43 ASP H 1 44 ILE H . . 5.470 4.472 4.434 4.528 . 0 0 "[ . 1]" 1
592 1 43 ASP H 1 46 LEU QD . . 5.500 2.604 2.191 3.401 . 0 0 "[ . 1]" 1
593 1 43 ASP HA 1 44 ILE H . . 3.250 2.197 2.161 2.226 . 0 0 "[ . 1]" 1
594 1 43 ASP HA 1 44 ILE HB . . 4.500 4.607 4.560 4.668 0.168 10 0 "[ . 1]" 1
595 1 43 ASP HA 1 44 ILE HG13 . . 5.400 5.637 5.544 5.728 0.328 1 0 "[ . 1]" 1
596 1 43 ASP HA 1 45 SER H . . 4.740 3.781 3.660 3.871 . 0 0 "[ . 1]" 1
597 1 43 ASP HA 1 46 LEU H . . 4.930 4.449 4.351 4.562 . 0 0 "[ . 1]" 1
598 1 43 ASP HB3 1 44 ILE H . . 5.490 4.232 4.183 4.285 . 0 0 "[ . 1]" 1
599 1 43 ASP HB3 1 45 SER H . . 5.500 3.783 3.621 3.931 . 0 0 "[ . 1]" 1
600 1 43 ASP HB3 1 46 LEU H . . 4.980 2.617 2.318 2.862 . 0 0 "[ . 1]" 1
601 1 43 ASP HB3 1 46 LEU HB3 . . 4.610 2.539 2.263 3.232 . 0 0 "[ . 1]" 1
602 1 43 ASP HB3 1 46 LEU QD . . 3.800 3.091 2.589 3.572 . 0 0 "[ . 1]" 1
603 1 44 ILE H 1 44 ILE HB . . 3.670 2.480 2.456 2.518 . 0 0 "[ . 1]" 1
604 1 44 ILE H 1 44 ILE MD . . 5.010 3.419 3.344 3.521 . 0 0 "[ . 1]" 1
605 1 44 ILE H 1 44 ILE HG13 . . 4.110 3.617 3.539 3.700 . 0 0 "[ . 1]" 1
606 1 44 ILE H 1 44 ILE MG . . 3.960 3.811 3.796 3.840 . 0 0 "[ . 1]" 1
607 1 44 ILE H 1 45 SER H . . 3.940 2.752 2.702 2.806 . 0 0 "[ . 1]" 1
608 1 44 ILE H 1 45 SER HB3 . . 5.290 5.638 4.645 6.300 1.010 1 6 "[+** * - *1]" 1
609 1 44 ILE H 1 46 LEU H . . 5.380 4.323 4.172 4.563 . 0 0 "[ . 1]" 1
610 1 44 ILE H 1 66 LEU HB3 . . 5.400 6.025 5.859 6.145 0.745 9 8 "[*****- +*]" 1
611 1 44 ILE H 1 70 ASN HD21 . . 5.500 3.853 3.718 4.041 . 0 0 "[ . 1]" 1
612 1 44 ILE H 1 70 ASN HD22 . . 5.410 4.595 4.456 4.886 . 0 0 "[ . 1]" 1
613 1 44 ILE HA 1 44 ILE MD . . 3.510 2.195 2.124 2.254 . 0 0 "[ . 1]" 1
614 1 44 ILE HA 1 44 ILE HG13 . . 4.140 3.759 3.717 3.789 . 0 0 "[ . 1]" 1
615 1 44 ILE HA 1 44 ILE MG . . 3.270 2.466 2.441 2.495 . 0 0 "[ . 1]" 1
616 1 44 ILE HA 1 45 SER H . . 4.830 3.574 3.553 3.591 . 0 0 "[ . 1]" 1
617 1 44 ILE HA 1 46 LEU H . . 5.280 4.070 3.689 4.608 . 0 0 "[ . 1]" 1
618 1 44 ILE HA 1 47 VAL H . . 3.950 3.140 2.785 3.476 . 0 0 "[ . 1]" 1
619 1 44 ILE HA 1 47 VAL HB . . 4.300 3.176 2.376 4.933 0.633 10 3 "[- * +]" 1
620 1 44 ILE HA 1 47 VAL QG . . 3.700 2.407 2.012 2.757 . 0 0 "[ . 1]" 1
621 1 44 ILE HA 1 48 LYS H . . 4.600 3.565 3.414 3.679 . 0 0 "[ . 1]" 1
622 1 44 ILE HB 1 44 ILE MD . . 3.560 3.292 3.281 3.302 . 0 0 "[ . 1]" 1
623 1 44 ILE HB 1 45 SER H . . 4.360 2.938 2.851 3.004 . 0 0 "[ . 1]" 1
624 1 44 ILE HB 1 46 LEU H . . 5.400 5.265 5.116 5.515 0.115 8 0 "[ . 1]" 1
625 1 44 ILE HB 1 47 VAL H . . 5.500 5.635 5.323 6.041 0.541 10 2 "[ - +]" 1
626 1 44 ILE HB 1 47 VAL QG . . 4.580 4.581 4.369 4.765 0.185 3 0 "[ . 1]" 1
627 1 44 ILE HB 1 48 LYS H . . 5.100 5.443 5.289 5.563 0.463 10 0 "[ . 1]" 1
628 1 44 ILE MD 1 44 ILE MG . . 2.770 2.108 2.090 2.122 . 0 0 "[ . 1]" 1
629 1 44 ILE MD 1 45 SER H . . 5.500 4.893 4.852 4.942 . 0 0 "[ . 1]" 1
630 1 44 ILE MD 1 59 ILE MD . . 3.200 3.411 2.895 3.662 0.462 3 0 "[ . 1]" 1
631 1 44 ILE MD 1 59 ILE MG . . 4.700 4.570 4.014 4.959 0.259 1 0 "[ . 1]" 1
632 1 44 ILE MD 1 63 CYS HA . . 4.080 2.159 2.097 2.260 . 0 0 "[ . 1]" 1
633 1 44 ILE MD 1 63 CYS HB3 . . 4.880 4.020 3.896 4.244 . 0 0 "[ . 1]" 1
634 1 44 ILE MD 1 66 LEU HA . . 4.510 4.178 3.992 4.304 . 0 0 "[ . 1]" 1
635 1 44 ILE MD 1 66 LEU HB3 . . 3.550 2.075 1.987 2.211 . 0 0 "[ . 1]" 1
636 1 44 ILE MD 1 66 LEU QD . . 2.740 2.560 2.427 2.716 . 0 0 "[ . 1]" 1
637 1 44 ILE MD 1 67 ASN H . . 3.800 2.684 2.512 2.847 . 0 0 "[ . 1]" 1
638 1 44 ILE MD 1 67 ASN HA . . 3.490 3.210 3.064 3.387 . 0 0 "[ . 1]" 1
639 1 44 ILE MD 1 67 ASN HB3 . . 3.910 4.250 4.027 4.526 0.616 6 3 "[ *.+- 1]" 1
640 1 44 ILE MD 1 70 ASN HB3 . . 4.600 4.917 4.809 4.980 0.380 6 0 "[ . 1]" 1
641 1 44 ILE MD 1 70 ASN HD21 . . 3.690 2.486 2.389 2.590 . 0 0 "[ . 1]" 1
642 1 44 ILE MD 1 70 ASN HD22 . . 3.830 2.422 2.294 2.564 . 0 0 "[ . 1]" 1
643 1 44 ILE HG13 1 44 ILE MG . . 3.150 2.364 2.320 2.393 . 0 0 "[ . 1]" 1
644 1 44 ILE HG13 1 45 SER H . . 5.100 5.207 5.117 5.285 0.185 1 0 "[ . 1]" 1
645 1 44 ILE HG13 1 70 ASN HD21 . . 5.500 3.861 3.599 3.963 . 0 0 "[ . 1]" 1
646 1 44 ILE HG13 1 70 ASN HD22 . . 4.390 4.790 4.454 5.063 0.673 2 2 "[ + . -]" 1
647 1 44 ILE MG 1 45 SER H . . 4.400 3.596 3.509 3.690 . 0 0 "[ . 1]" 1
648 1 44 ILE MG 1 45 SER HA . . 4.150 3.646 3.560 3.756 . 0 0 "[ . 1]" 1
649 1 44 ILE MG 1 47 VAL H . . 4.630 4.557 4.319 4.779 0.149 5 0 "[ . 1]" 1
650 1 44 ILE MG 1 47 VAL HB . . 4.700 4.393 3.905 5.205 0.505 10 1 "[ . +]" 1
651 1 44 ILE MG 1 48 LYS H . . 4.400 3.463 3.308 3.579 . 0 0 "[ . 1]" 1
652 1 44 ILE MG 1 48 LYS HB3 . . 3.670 3.567 3.034 3.717 0.047 2 0 "[ . 1]" 1
653 1 44 ILE MG 1 48 LYS HE3 . . 4.400 3.665 3.088 4.520 0.120 6 0 "[ . 1]" 1
654 1 44 ILE MG 1 59 ILE MD . . 2.620 2.448 2.044 2.715 0.095 3 0 "[ . 1]" 1
655 1 44 ILE MG 1 59 ILE HG13 . . 4.800 4.415 3.827 4.733 . 0 0 "[ . 1]" 1
656 1 44 ILE MG 1 63 CYS HA . . 4.020 3.578 3.299 3.756 . 0 0 "[ . 1]" 1
657 1 44 ILE MG 1 63 CYS HB3 . . 4.410 3.665 3.553 3.790 . 0 0 "[ . 1]" 1
658 1 44 ILE MG 1 66 LEU QD . . 3.790 4.186 4.084 4.271 0.481 3 0 "[ . 1]" 1
659 1 44 ILE MG 1 70 ASN HD22 . . 5.300 5.219 5.070 5.406 0.106 2 0 "[ . 1]" 1
660 1 45 SER H 1 45 SER HB3 . . 3.630 3.064 2.216 3.585 . 0 0 "[ . 1]" 1
661 1 45 SER H 1 46 LEU H . . 3.690 2.818 2.700 2.892 . 0 0 "[ . 1]" 1
662 1 45 SER H 1 47 VAL H . . 5.500 4.355 4.090 4.800 . 0 0 "[ . 1]" 1
663 1 45 SER H 1 48 LYS H . . 5.000 4.810 4.756 4.883 . 0 0 "[ . 1]" 1
664 1 45 SER HA 1 45 SER HB3 . . 2.930 2.843 2.595 3.029 0.099 6 0 "[ . 1]" 1
665 1 45 SER HA 1 46 LEU H . . 4.700 3.555 3.469 3.615 . 0 0 "[ . 1]" 1
666 1 45 SER HA 1 48 LYS H . . 5.000 3.801 3.684 3.986 . 0 0 "[ . 1]" 1
667 1 45 SER HA 1 48 LYS HB3 . . 4.310 2.945 2.397 4.312 0.002 3 0 "[ . 1]" 1
668 1 45 SER HA 1 48 LYS HD3 . . 4.260 5.029 4.011 5.510 1.250 4 8 "[ * +-*****]" 1
669 1 45 SER HB3 1 46 LEU H . . 4.100 3.247 2.553 4.040 . 0 0 "[ . 1]" 1
670 1 45 SER HB3 1 46 LEU HB3 . . 4.760 4.878 4.257 6.061 1.301 5 3 "[- + *]" 1
671 1 46 LEU H 1 46 LEU HB3 . . 3.670 2.301 2.125 2.579 . 0 0 "[ . 1]" 1
672 1 46 LEU H 1 46 LEU QD . . 4.070 3.582 3.390 3.789 . 0 0 "[ . 1]" 1
673 1 46 LEU H 1 46 LEU HG . . 4.400 3.926 3.147 4.582 0.182 6 0 "[ . 1]" 1
674 1 46 LEU H 1 48 LYS H . . 5.350 4.094 3.778 4.488 . 0 0 "[ . 1]" 1
675 1 46 LEU HA 1 46 LEU QD . . 3.500 3.138 2.898 3.333 . 0 0 "[ . 1]" 1
676 1 46 LEU HA 1 46 LEU HG . . 4.360 3.285 2.445 3.849 . 0 0 "[ . 1]" 1
677 1 46 LEU HA 1 47 VAL H . . 4.640 3.608 3.593 3.632 . 0 0 "[ . 1]" 1
678 1 46 LEU HA 1 49 ARG HB3 . . 4.100 4.142 3.592 4.515 0.415 5 0 "[ . 1]" 1
679 1 46 LEU HA 1 49 ARG HD3 . . 4.720 3.759 2.407 5.767 1.047 7 2 "[- . + 1]" 1
680 1 46 LEU QD 1 49 ARG HD3 . . 5.200 5.450 4.915 6.572 1.372 1 3 "[+ . *- 1]" 1
681 1 46 LEU QD 1 66 LEU QD . . 5.500 4.964 4.647 5.214 . 0 0 "[ . 1]" 1
682 1 46 LEU HG 1 47 VAL H . . 5.100 3.408 2.271 4.697 . 0 0 "[ . 1]" 1
683 1 47 VAL H 1 47 VAL HB . . 3.730 2.591 2.092 3.700 . 0 0 "[ . 1]" 1
684 1 47 VAL H 1 47 VAL QG . . 3.100 2.636 1.903 2.967 . 0 0 "[ . 1]" 1
685 1 47 VAL H 1 48 LYS H . . 3.890 2.794 2.715 2.899 . 0 0 "[ . 1]" 1
686 1 47 VAL H 1 66 LEU QD . . 4.800 4.947 4.736 5.196 0.396 4 0 "[ . 1]" 1
687 1 47 VAL HA 1 47 VAL QG . . 3.140 2.108 2.050 2.237 . 0 0 "[ . 1]" 1
688 1 47 VAL HA 1 48 LYS H . . 4.470 3.548 3.518 3.594 . 0 0 "[ . 1]" 1
689 1 47 VAL HA 1 50 GLU H . . 4.410 3.265 3.092 3.474 . 0 0 "[ . 1]" 1
690 1 47 VAL HA 1 50 GLU HB3 . . 4.100 4.126 3.494 4.588 0.488 4 0 "[ . 1]" 1
691 1 47 VAL HB 1 48 LYS H . . 3.910 3.511 3.333 3.764 . 0 0 "[ . 1]" 1
692 1 47 VAL HB 1 66 LEU QD . . 4.460 3.291 3.129 3.518 . 0 0 "[ . 1]" 1
693 1 47 VAL MG1 1 47 VAL MG2 . . 2.830 2.097 2.079 2.125 . 0 0 "[ . 1]" 1
694 1 47 VAL QG 1 48 LYS H . . 4.100 2.395 2.188 2.645 . 0 0 "[ . 1]" 1
695 1 47 VAL QG 1 48 LYS HA . . 4.540 3.389 3.143 3.825 . 0 0 "[ . 1]" 1
696 1 47 VAL QG 1 48 LYS HB3 . . 4.300 4.029 3.347 4.304 0.004 7 0 "[ . 1]" 1
697 1 47 VAL QG 1 50 GLU H . . 5.500 4.337 4.047 4.533 . 0 0 "[ . 1]" 1
698 1 47 VAL QG 1 51 HIS H . . 5.500 4.247 3.829 4.818 . 0 0 "[ . 1]" 1
699 1 47 VAL QG 1 59 ILE MD . . 3.770 2.249 2.001 2.746 . 0 0 "[ . 1]" 1
700 1 47 VAL QG 1 62 LEU QD . . 4.300 2.801 2.396 3.288 . 0 0 "[ . 1]" 1
701 1 47 VAL QG 1 66 LEU QD . . 3.090 1.827 1.749 1.921 . 0 0 "[ . 1]" 1
702 1 48 LYS H 1 48 LYS HB3 . . 3.650 2.379 2.250 2.603 . 0 0 "[ . 1]" 1
703 1 48 LYS H 1 48 LYS HD3 . . 4.480 5.684 4.490 5.936 1.456 10 9 "[** ****-*+]" 1
704 1 48 LYS H 1 48 LYS HG3 . . 4.570 4.329 2.207 4.632 0.062 6 0 "[ . 1]" 1
705 1 48 LYS H 1 49 ARG H . . 3.960 2.769 2.707 2.871 . 0 0 "[ . 1]" 1
706 1 48 LYS H 1 50 GLU H . . 5.300 4.210 4.101 4.373 . 0 0 "[ . 1]" 1
707 1 48 LYS H 1 59 ILE MD . . 4.700 3.287 3.188 3.449 . 0 0 "[ . 1]" 1
708 1 48 LYS HA 1 48 LYS HD3 . . 4.600 4.843 4.280 4.985 0.385 1 0 "[ . 1]" 1
709 1 48 LYS HA 1 48 LYS HG3 . . 3.630 3.286 3.011 3.615 . 0 0 "[ . 1]" 1
710 1 48 LYS HA 1 49 ARG H . . 4.620 3.559 3.442 3.596 . 0 0 "[ . 1]" 1
711 1 48 LYS HA 1 50 GLU H . . 4.820 4.446 4.162 4.611 . 0 0 "[ . 1]" 1
712 1 48 LYS HA 1 51 HIS H . . 4.540 3.441 3.065 3.593 . 0 0 "[ . 1]" 1
713 1 48 LYS HA 1 51 HIS QB . . 4.530 3.102 2.174 3.811 . 0 0 "[ . 1]" 1
714 1 48 LYS HA 1 59 ILE MD . . 3.530 2.405 2.196 2.904 . 0 0 "[ . 1]" 1
715 1 48 LYS HA 1 59 ILE MG . . 4.220 3.926 3.771 4.116 . 0 0 "[ . 1]" 1
716 1 48 LYS HB3 1 48 LYS HE3 . . 4.300 2.644 2.065 3.677 . 0 0 "[ . 1]" 1
717 1 48 LYS HB3 1 49 ARG H . . 4.190 2.836 2.500 4.304 0.114 3 0 "[ . 1]" 1
718 1 48 LYS HB3 1 59 ILE MD . . 4.060 3.679 2.298 4.106 0.046 4 0 "[ . 1]" 1
719 1 48 LYS HB3 1 59 ILE MG . . 3.840 4.071 2.613 4.557 0.717 10 4 "[* * - +]" 1
720 1 48 LYS HD3 1 49 ARG HB3 . . 4.400 6.770 4.939 7.622 3.222 10 10 [*****-***+] 1
721 1 48 LYS HD3 1 49 ARG HG3 . . 4.400 4.940 3.153 7.490 3.090 6 4 "[- .+* *]" 1
722 1 48 LYS HE3 1 48 LYS HG3 . . 4.170 3.190 2.826 3.757 . 0 0 "[ . 1]" 1
723 1 48 LYS HE3 1 59 ILE MG . . 4.360 4.187 3.767 4.576 0.216 1 0 "[ . 1]" 1
724 1 48 LYS HG3 1 49 ARG H . . 5.500 4.750 2.539 5.274 . 0 0 "[ . 1]" 1
725 1 48 LYS HG3 1 59 ILE MD . . 3.920 3.526 3.041 4.422 0.502 3 1 "[ + . 1]" 1
726 1 49 ARG H 1 49 ARG HB3 . . 3.270 3.349 2.631 3.599 0.329 2 0 "[ . 1]" 1
727 1 49 ARG H 1 49 ARG HD3 . . 4.600 4.462 3.417 5.911 1.311 7 2 "[- . + 1]" 1
728 1 49 ARG H 1 49 ARG HG3 . . 4.000 3.077 2.381 4.160 0.160 7 0 "[ . 1]" 1
729 1 49 ARG H 1 50 GLU H . . 3.770 2.686 2.418 2.775 . 0 0 "[ . 1]" 1
730 1 49 ARG H 1 50 GLU HG3 . . 5.500 5.640 4.893 6.127 0.627 3 4 "[ + . *-*1]" 1
731 1 49 ARG H 1 51 HIS H . . 4.800 4.114 3.813 4.293 . 0 0 "[ . 1]" 1
732 1 49 ARG HA 1 49 ARG HD3 . . 4.800 4.576 4.414 4.899 0.099 6 0 "[ . 1]" 1
733 1 49 ARG HA 1 49 ARG HG3 . . 4.000 2.715 2.374 3.771 . 0 0 "[ . 1]" 1
734 1 49 ARG HA 1 50 GLU H . . 4.340 3.560 3.524 3.595 . 0 0 "[ . 1]" 1
735 1 49 ARG HA 1 52 ASP H . . 5.300 4.044 3.712 4.531 . 0 0 "[ . 1]" 1
736 1 49 ARG HA 1 52 ASP HB3 . . 4.160 3.580 2.675 4.421 0.261 7 0 "[ . 1]" 1
737 1 49 ARG HB3 1 49 ARG HD3 . . 3.310 3.091 2.485 3.503 0.193 7 0 "[ . 1]" 1
738 1 49 ARG HB3 1 49 ARG HG3 . . 3.000 3.040 3.017 3.064 0.064 7 0 "[ . 1]" 1
739 1 49 ARG HB3 1 50 GLU H . . 4.000 3.455 2.821 4.147 0.147 6 0 "[ . 1]" 1
740 1 50 GLU H 1 50 GLU HB3 . . 3.530 3.464 2.338 3.631 0.101 2 0 "[ . 1]" 1
741 1 50 GLU H 1 50 GLU HG3 . . 4.050 3.370 2.613 4.044 . 0 0 "[ . 1]" 1
742 1 50 GLU H 1 51 HIS H . . 3.850 2.678 2.496 2.808 . 0 0 "[ . 1]" 1
743 1 50 GLU H 1 51 HIS QB . . 5.500 4.553 4.137 4.739 . 0 0 "[ . 1]" 1
744 1 50 GLU H 1 52 ASP H . . 5.390 4.536 4.224 4.938 . 0 0 "[ . 1]" 1
745 1 50 GLU HA 1 50 GLU HB3 . . 3.120 2.585 2.515 2.683 . 0 0 "[ . 1]" 1
746 1 50 GLU HA 1 50 GLU HG3 . . 3.870 3.456 2.871 3.780 . 0 0 "[ . 1]" 1
747 1 50 GLU HA 1 51 HIS H . . 4.190 3.521 3.204 3.611 . 0 0 "[ . 1]" 1
748 1 50 GLU HB3 1 51 HIS H . . 4.540 3.728 3.409 4.358 . 0 0 "[ . 1]" 1
749 1 51 HIS H 1 52 ASP HA . . 5.500 4.856 4.474 5.218 . 0 0 "[ . 1]" 1
750 1 51 HIS HA 1 51 HIS HD2 . . 4.800 3.378 2.483 4.216 . 0 0 "[ . 1]" 1
751 1 51 HIS HA 1 52 ASP H . . 3.950 3.125 2.457 3.604 . 0 0 "[ . 1]" 1
752 1 51 HIS HA 1 53 PHE H . . 4.510 3.415 2.835 4.584 0.074 9 0 "[ . 1]" 1
753 1 51 HIS HA 1 54 LEU QD . . 4.690 3.977 2.701 4.798 0.108 9 0 "[ . 1]" 1
754 1 51 HIS QB 1 52 ASP H . . 5.240 3.534 2.309 3.998 . 0 0 "[ . 1]" 1
755 1 51 HIS QB 1 54 LEU QD . . 3.760 2.538 2.108 3.251 . 0 0 "[ . 1]" 1
756 1 51 HIS QB 1 54 LEU HG . . 4.700 3.483 2.513 4.796 0.096 6 0 "[ . 1]" 1
757 1 51 HIS QB 1 59 ILE MD . . 3.870 3.322 2.954 3.519 . 0 0 "[ . 1]" 1
758 1 52 ASP H 1 52 ASP HB3 . . 3.810 2.518 2.049 3.382 . 0 0 "[ . 1]" 1
759 1 52 ASP H 1 53 PHE H . . 3.430 2.958 2.566 3.439 0.009 8 0 "[ . 1]" 1
760 1 52 ASP H 1 53 PHE HA . . 5.500 5.498 4.873 5.872 0.372 8 0 "[ . 1]" 1
761 1 52 ASP H 1 54 LEU H . . 4.700 4.579 4.246 5.095 0.395 9 0 "[ . 1]" 1
762 1 52 ASP HA 1 53 PHE H . . 4.370 3.253 2.547 3.509 . 0 0 "[ . 1]" 1
763 1 52 ASP HA 1 54 LEU H . . 5.010 3.904 3.285 4.603 . 0 0 "[ . 1]" 1
764 1 52 ASP HB3 1 53 PHE H . . 5.270 3.949 3.199 4.673 . 0 0 "[ . 1]" 1
765 1 53 PHE H 1 53 PHE HB3 . . 4.240 2.462 2.235 2.864 . 0 0 "[ . 1]" 1
766 1 53 PHE H 1 54 LEU H . . 3.910 2.563 1.974 2.775 . 0 0 "[ . 1]" 1
767 1 53 PHE H 1 54 LEU HA . . 5.500 5.273 4.752 5.464 . 0 0 "[ . 1]" 1
768 1 53 PHE H 1 54 LEU QD . . 5.500 4.291 2.811 4.764 . 0 0 "[ . 1]" 1
769 1 53 PHE H 1 54 LEU HG . . 5.400 4.234 3.738 5.787 0.387 6 0 "[ . 1]" 1
770 1 53 PHE HA 1 54 LEU H . . 3.890 3.510 3.403 3.574 . 0 0 "[ . 1]" 1
771 1 53 PHE HB3 1 53 PHE HD1 . . 3.750 3.280 2.486 3.780 0.030 1 0 "[ . 1]" 1
772 1 53 PHE HB3 1 54 LEU H . . 5.500 3.027 2.439 4.338 . 0 0 "[ . 1]" 1
773 1 53 PHE HD1 1 54 LEU QD . . 5.500 4.020 2.209 5.920 0.420 8 0 "[ . 1]" 1
774 1 53 PHE QE 1 54 LEU QD . . 4.000 3.171 2.345 4.018 0.018 6 0 "[ . 1]" 1
775 1 54 LEU H 1 54 LEU HB3 . . 3.660 3.541 3.151 3.630 . 0 0 "[ . 1]" 1
776 1 54 LEU H 1 54 LEU QD . . 3.500 2.920 1.814 3.311 . 0 0 "[ . 1]" 1
777 1 54 LEU H 1 54 LEU HG . . 3.800 2.444 2.096 3.991 0.191 6 0 "[ . 1]" 1
778 1 54 LEU H 1 55 ASP H . . 5.160 4.547 4.382 4.648 . 0 0 "[ . 1]" 1
779 1 54 LEU H 1 58 ALA MB . . 5.100 4.883 4.399 5.137 0.037 2 0 "[ . 1]" 1
780 1 54 LEU HA 1 54 LEU QD . . 3.400 2.548 2.171 3.451 0.051 2 0 "[ . 1]" 1
781 1 54 LEU HA 1 54 LEU HG . . 4.070 3.416 3.197 4.271 0.201 6 0 "[ . 1]" 1
782 1 54 LEU HA 1 55 ASP H . . 3.120 2.492 2.265 2.769 . 0 0 "[ . 1]" 1
783 1 54 LEU HA 1 58 ALA MB . . 4.140 3.848 3.505 4.291 0.151 2 0 "[ . 1]" 1
784 1 54 LEU HB3 1 55 ASP H . . 4.480 2.653 2.099 3.642 . 0 0 "[ . 1]" 1
785 1 54 LEU HB3 1 58 ALA MB . . 4.370 2.377 2.013 3.675 . 0 0 "[ . 1]" 1
786 1 54 LEU MD1 1 54 LEU MD2 . . 2.670 2.067 2.023 2.101 . 0 0 "[ . 1]" 1
787 1 54 LEU QD 1 55 ASP H . . 4.470 3.579 3.327 3.761 . 0 0 "[ . 1]" 1
788 1 54 LEU QD 1 58 ALA MB . . 3.490 2.354 1.972 2.638 . 0 0 "[ . 1]" 1
789 1 54 LEU QD 1 59 ILE HA . . 4.060 3.863 2.935 4.533 0.473 4 0 "[ . 1]" 1
790 1 54 LEU QD 1 59 ILE MD . . 4.200 3.924 3.252 4.821 0.621 4 1 "[ +. 1]" 1
791 1 54 LEU QD 1 62 LEU QD . . 3.900 2.812 2.320 3.051 . 0 0 "[ . 1]" 1
792 1 54 LEU HG 1 55 ASP H . . 5.040 4.923 4.571 5.280 0.240 3 0 "[ . 1]" 1
793 1 55 ASP H 1 55 ASP HB3 . . 3.960 3.610 3.552 3.684 . 0 0 "[ . 1]" 1
794 1 55 ASP H 1 56 ARG H . . 4.660 4.665 4.553 4.712 0.052 3 0 "[ . 1]" 1
795 1 55 ASP H 1 57 ASP H . . 4.800 5.073 4.765 5.269 0.469 7 0 "[ . 1]" 1
796 1 55 ASP H 1 58 ALA H . . 5.090 3.724 3.478 4.085 . 0 0 "[ . 1]" 1
797 1 55 ASP H 1 58 ALA MB . . 3.460 2.569 2.116 3.092 . 0 0 "[ . 1]" 1
798 1 55 ASP HA 1 56 ARG H . . 3.200 2.327 2.267 2.385 . 0 0 "[ . 1]" 1
799 1 55 ASP HA 1 57 ASP H . . 5.420 4.153 4.045 4.325 . 0 0 "[ . 1]" 1
800 1 55 ASP HA 1 58 ALA H . . 5.500 4.505 4.313 4.663 . 0 0 "[ . 1]" 1
801 1 55 ASP HB3 1 56 ARG H . . 3.660 2.667 2.544 2.890 . 0 0 "[ . 1]" 1
802 1 55 ASP HB3 1 57 ASP H . . 4.990 2.485 2.289 2.648 . 0 0 "[ . 1]" 1
803 1 55 ASP HB3 1 58 ALA H . . 5.330 3.376 3.019 3.654 . 0 0 "[ . 1]" 1
804 1 56 ARG H 1 56 ARG HB3 . . 3.480 3.067 2.402 3.678 0.197 3 0 "[ . 1]" 1
805 1 56 ARG H 1 56 ARG HD3 . . 5.500 3.753 2.440 4.937 . 0 0 "[ . 1]" 1
806 1 56 ARG H 1 56 ARG HG3 . . 4.480 3.333 2.246 3.948 . 0 0 "[ . 1]" 1
807 1 56 ARG HA 1 56 ARG HG3 . . 4.170 3.705 2.898 4.160 . 0 0 "[ . 1]" 1
808 1 56 ARG HA 1 57 ASP H . . 4.730 3.535 3.506 3.559 . 0 0 "[ . 1]" 1
809 1 56 ARG HA 1 58 ALA H . . 5.350 4.332 4.173 4.556 . 0 0 "[ . 1]" 1
810 1 56 ARG HB3 1 57 ASP H . . 4.280 3.912 3.567 4.225 . 0 0 "[ . 1]" 1
811 1 56 ARG HD3 1 57 ASP H . . 6.000 5.209 4.256 6.620 0.620 6 1 "[ .+ 1]" 1
812 1 56 ARG HG3 1 57 ASP H . . 4.580 4.005 2.671 5.122 0.542 2 1 "[ + . 1]" 1
813 1 57 ASP H 1 57 ASP HB3 . . 3.920 2.840 2.370 3.531 . 0 0 "[ . 1]" 1
814 1 57 ASP H 1 58 ALA H . . 3.620 2.692 2.576 2.779 . 0 0 "[ . 1]" 1
815 1 57 ASP HA 1 60 GLU H . . 3.970 3.255 3.149 3.370 . 0 0 "[ . 1]" 1
816 1 57 ASP HA 1 60 GLU HB3 . . 4.000 4.178 3.880 4.626 0.626 2 1 "[ + . 1]" 1
817 1 57 ASP HB3 1 58 ALA H . . 4.270 2.843 2.538 3.301 . 0 0 "[ . 1]" 1
818 1 58 ALA H 1 58 ALA MB . . 3.000 2.234 2.174 2.277 . 0 0 "[ . 1]" 1
819 1 58 ALA H 1 59 ILE H . . 3.670 2.641 2.539 2.719 . 0 0 "[ . 1]" 1
820 1 58 ALA H 1 59 ILE HB . . 5.090 4.686 4.603 4.792 . 0 0 "[ . 1]" 1
821 1 58 ALA H 1 59 ILE MG . . 5.400 5.268 5.017 5.593 0.193 8 0 "[ . 1]" 1
822 1 58 ALA H 1 61 ALA MB . . 5.030 4.703 4.533 4.885 . 0 0 "[ . 1]" 1
823 1 58 ALA HA 1 59 ILE H . . 4.460 3.633 3.615 3.659 . 0 0 "[ . 1]" 1
824 1 58 ALA HA 1 60 GLU H . . 4.500 4.549 4.353 4.719 0.219 7 0 "[ . 1]" 1
825 1 58 ALA HA 1 61 ALA H . . 4.190 3.456 3.287 3.577 . 0 0 "[ . 1]" 1
826 1 58 ALA HA 1 61 ALA MB . . 3.300 2.579 2.501 2.655 . 0 0 "[ . 1]" 1
827 1 58 ALA HA 1 62 LEU H . . 5.430 3.778 3.674 3.877 . 0 0 "[ . 1]" 1
828 1 58 ALA MB 1 59 ILE H . . 3.510 2.594 2.472 2.780 . 0 0 "[ . 1]" 1
829 1 58 ALA MB 1 59 ILE HB . . 4.000 4.211 4.009 4.382 0.382 2 0 "[ . 1]" 1
830 1 58 ALA MB 1 61 ALA H . . 4.700 4.680 4.558 4.747 0.047 7 0 "[ . 1]" 1
831 1 58 ALA MB 1 61 ALA MB . . 4.000 3.871 3.744 3.999 . 0 0 "[ . 1]" 1
832 1 58 ALA MB 1 62 LEU H . . 4.890 4.410 4.307 4.490 . 0 0 "[ . 1]" 1
833 1 59 ILE H 1 59 ILE HB . . 3.320 2.225 2.141 2.290 . 0 0 "[ . 1]" 1
834 1 59 ILE H 1 59 ILE MD . . 4.060 4.347 4.185 4.458 0.398 4 0 "[ . 1]" 1
835 1 59 ILE H 1 59 ILE HG13 . . 4.390 4.366 4.101 4.496 0.106 2 0 "[ . 1]" 1
836 1 59 ILE H 1 59 ILE MG . . 3.340 3.386 3.207 3.612 0.272 8 0 "[ . 1]" 1
837 1 59 ILE H 1 60 GLU H . . 3.770 2.856 2.817 2.902 . 0 0 "[ . 1]" 1
838 1 59 ILE H 1 60 GLU HB3 . . 5.070 6.388 6.318 6.484 1.414 2 10 [*+******-*] 1
839 1 59 ILE H 1 61 ALA H . . 4.680 4.311 4.202 4.394 . 0 0 "[ . 1]" 1
840 1 59 ILE H 1 61 ALA MB . . 5.000 4.905 4.721 4.990 . 0 0 "[ . 1]" 1
841 1 59 ILE H 1 62 LEU H . . 5.000 4.727 4.658 4.782 . 0 0 "[ . 1]" 1
842 1 59 ILE HA 1 59 ILE MD . . 3.320 2.142 2.083 2.269 . 0 0 "[ . 1]" 1
843 1 59 ILE HA 1 59 ILE HG13 . . 4.420 3.514 3.470 3.564 . 0 0 "[ . 1]" 1
844 1 59 ILE HA 1 59 ILE MG . . 3.430 3.052 2.890 3.135 . 0 0 "[ . 1]" 1
845 1 59 ILE HA 1 60 GLU H . . 4.590 3.619 3.597 3.644 . 0 0 "[ . 1]" 1
846 1 59 ILE HA 1 62 LEU H . . 4.170 3.340 3.108 3.459 . 0 0 "[ . 1]" 1
847 1 59 ILE HA 1 62 LEU HA . . 5.200 5.235 5.058 5.399 0.199 5 0 "[ . 1]" 1
848 1 59 ILE HA 1 62 LEU HB3 . . 4.210 2.417 2.211 2.681 . 0 0 "[ . 1]" 1
849 1 59 ILE HA 1 62 LEU QD . . 4.150 3.110 2.850 3.443 . 0 0 "[ . 1]" 1
850 1 59 ILE HB 1 59 ILE MD . . 3.380 3.312 3.294 3.319 . 0 0 "[ . 1]" 1
851 1 59 ILE MD 1 59 ILE MG . . 3.100 2.137 2.093 2.172 . 0 0 "[ . 1]" 1
852 1 59 ILE MD 1 62 LEU H . . 5.500 4.451 4.172 4.744 . 0 0 "[ . 1]" 1
853 1 59 ILE MD 1 62 LEU QD . . 3.470 2.431 2.176 2.694 . 0 0 "[ . 1]" 1
854 1 59 ILE HG13 1 59 ILE MG . . 3.310 2.373 2.343 2.404 . 0 0 "[ . 1]" 1
855 1 59 ILE HG13 1 60 GLU H . . 5.500 5.468 5.406 5.532 0.032 3 0 "[ . 1]" 1
856 1 59 ILE MG 1 60 GLU H . . 3.380 2.602 2.457 2.904 . 0 0 "[ . 1]" 1
857 1 59 ILE MG 1 60 GLU HA . . 3.390 3.234 3.089 3.414 0.024 3 0 "[ . 1]" 1
858 1 59 ILE MG 1 60 GLU HB3 . . 4.170 4.849 4.720 5.067 0.897 8 10 [***-***+**] 1
859 1 59 ILE MG 1 60 GLU HG3 . . 4.270 3.756 3.164 4.291 0.021 9 0 "[ . 1]" 1
860 1 59 ILE MG 1 61 ALA H . . 5.360 4.754 4.569 4.937 . 0 0 "[ . 1]" 1
861 1 60 GLU H 1 60 GLU HB3 . . 3.650 3.601 3.549 3.664 0.014 2 0 "[ . 1]" 1
862 1 60 GLU H 1 60 GLU HG3 . . 4.140 3.086 2.544 3.435 . 0 0 "[ . 1]" 1
863 1 60 GLU H 1 61 ALA H . . 3.790 2.786 2.719 2.862 . 0 0 "[ . 1]" 1
864 1 60 GLU H 1 61 ALA MB . . 4.320 4.382 4.324 4.501 0.181 4 0 "[ . 1]" 1
865 1 60 GLU H 1 62 LEU H . . 5.090 4.358 4.276 4.511 . 0 0 "[ . 1]" 1
866 1 60 GLU H 1 63 CYS H . . 5.450 4.647 4.549 4.799 . 0 0 "[ . 1]" 1
867 1 60 GLU HA 1 60 GLU HG3 . . 4.260 3.557 3.349 3.751 . 0 0 "[ . 1]" 1
868 1 60 GLU HA 1 61 ALA H . . 4.420 3.571 3.522 3.611 . 0 0 "[ . 1]" 1
869 1 60 GLU HA 1 62 LEU H . . 5.500 4.738 4.647 4.859 . 0 0 "[ . 1]" 1
870 1 60 GLU HA 1 63 CYS H . . 4.390 3.694 3.499 3.929 . 0 0 "[ . 1]" 1
871 1 60 GLU HA 1 63 CYS HB3 . . 4.050 2.305 2.120 2.540 . 0 0 "[ . 1]" 1
872 1 60 GLU HA 1 64 ARG H . . 5.500 4.207 3.927 4.472 . 0 0 "[ . 1]" 1
873 1 60 GLU HB3 1 60 GLU HG3 . . 2.800 2.835 2.647 3.012 0.212 2 0 "[ . 1]" 1
874 1 60 GLU HB3 1 61 ALA H . . 4.000 3.567 3.406 3.822 . 0 0 "[ . 1]" 1
875 1 60 GLU HG3 1 61 ALA H . . 5.500 4.846 4.464 5.063 . 0 0 "[ . 1]" 1
876 1 61 ALA H 1 61 ALA MB . . 2.980 2.182 2.150 2.221 . 0 0 "[ . 1]" 1
877 1 61 ALA H 1 62 LEU H . . 3.940 2.734 2.634 2.777 . 0 0 "[ . 1]" 1
878 1 61 ALA H 1 62 LEU HA . . 5.500 5.387 5.294 5.437 . 0 0 "[ . 1]" 1
879 1 61 ALA H 1 63 CYS H . . 4.680 4.183 4.086 4.310 . 0 0 "[ . 1]" 1
880 1 61 ALA HA 1 62 LEU H . . 4.770 3.608 3.586 3.634 . 0 0 "[ . 1]" 1
881 1 61 ALA HA 1 64 ARG HB3 . . 5.000 3.509 3.241 3.738 . 0 0 "[ . 1]" 1
882 1 61 ALA MB 1 62 LEU H . . 3.540 2.423 2.352 2.466 . 0 0 "[ . 1]" 1
883 1 61 ALA MB 1 63 CYS H . . 5.500 4.610 4.543 4.656 . 0 0 "[ . 1]" 1
884 1 62 LEU H 1 62 LEU HB3 . . 3.720 2.438 2.232 2.697 . 0 0 "[ . 1]" 1
885 1 62 LEU H 1 62 LEU QD . . 4.240 3.742 3.720 3.774 . 0 0 "[ . 1]" 1
886 1 62 LEU H 1 62 LEU HG . . 4.710 4.323 4.271 4.386 . 0 0 "[ . 1]" 1
887 1 62 LEU H 1 63 CYS H . . 3.960 2.753 2.723 2.782 . 0 0 "[ . 1]" 1
888 1 62 LEU H 1 64 ARG H . . 5.180 4.028 3.922 4.089 . 0 0 "[ . 1]" 1
889 1 62 LEU HA 1 62 LEU QD . . 3.400 2.255 2.191 2.333 . 0 0 "[ . 1]" 1
890 1 62 LEU HA 1 62 LEU HG . . 4.100 3.162 2.877 3.431 . 0 0 "[ . 1]" 1
891 1 62 LEU HA 1 63 CYS H . . 4.950 3.576 3.538 3.598 . 0 0 "[ . 1]" 1
892 1 62 LEU HA 1 64 ARG H . . 5.250 4.135 3.968 4.298 . 0 0 "[ . 1]" 1
893 1 62 LEU HB3 1 63 CYS H . . 4.200 2.467 2.353 2.593 . 0 0 "[ . 1]" 1
894 1 62 LEU MD1 1 62 LEU MD2 . . 3.030 2.064 2.027 2.090 . 0 0 "[ . 1]" 1
895 1 62 LEU QD 1 63 CYS H . . 4.600 3.526 3.215 3.747 . 0 0 "[ . 1]" 1
896 1 62 LEU QD 1 66 LEU H . . 5.270 3.090 2.926 3.335 . 0 0 "[ . 1]" 1
897 1 62 LEU QD 1 66 LEU QD . . 3.500 1.920 1.798 2.091 . 0 0 "[ . 1]" 1
898 1 62 LEU QD 1 66 LEU HG . . 3.800 3.481 2.207 4.146 0.346 9 0 "[ . 1]" 1
899 1 62 LEU HG 1 63 CYS H . . 5.100 4.158 3.156 5.067 . 0 0 "[ . 1]" 1
900 1 62 LEU HG 1 66 LEU H . . 5.500 4.927 4.053 5.781 0.281 2 0 "[ . 1]" 1
901 1 62 LEU HG 1 66 LEU QD . . 4.300 3.104 2.133 4.007 . 0 0 "[ . 1]" 1
902 1 63 CYS H 1 63 CYS HB3 . . 4.040 2.429 2.391 2.464 . 0 0 "[ . 1]" 1
903 1 63 CYS H 1 64 ARG H . . 4.060 2.966 2.901 3.036 . 0 0 "[ . 1]" 1
904 1 63 CYS H 1 65 ARG H . . 5.500 4.640 4.536 4.703 . 0 0 "[ . 1]" 1
905 1 63 CYS H 1 66 LEU H . . 5.120 4.690 4.643 4.751 . 0 0 "[ . 1]" 1
906 1 63 CYS H 1 66 LEU QD . . 5.500 4.658 4.533 4.768 . 0 0 "[ . 1]" 1
907 1 63 CYS HA 1 64 ARG H . . 4.430 3.634 3.621 3.648 . 0 0 "[ . 1]" 1
908 1 63 CYS HA 1 65 ARG H . . 5.330 4.395 4.196 4.502 . 0 0 "[ . 1]" 1
909 1 63 CYS HA 1 66 LEU H . . 4.060 3.370 3.214 3.519 . 0 0 "[ . 1]" 1
910 1 63 CYS HA 1 66 LEU HB3 . . 3.700 3.164 2.757 3.853 0.153 6 0 "[ . 1]" 1
911 1 63 CYS HA 1 66 LEU QD . . 3.790 3.730 3.641 3.793 0.003 10 0 "[ . 1]" 1
912 1 63 CYS HA 1 67 ASN H . . 4.640 2.805 2.691 2.900 . 0 0 "[ . 1]" 1
913 1 63 CYS HB3 1 64 ARG H . . 4.420 2.969 2.840 3.105 . 0 0 "[ . 1]" 1
914 1 64 ARG H 1 64 ARG HB3 . . 3.680 2.761 2.686 2.808 . 0 0 "[ . 1]" 1
915 1 64 ARG H 1 65 ARG H . . 3.950 2.897 2.781 3.033 . 0 0 "[ . 1]" 1
916 1 64 ARG H 1 66 LEU H . . 4.530 4.329 4.204 4.483 . 0 0 "[ . 1]" 1
917 1 64 ARG H 1 67 ASN HB3 . . 5.500 5.142 5.051 5.220 . 0 0 "[ . 1]" 1
918 1 64 ARG HA 1 64 ARG HG3 . . 4.360 2.239 2.145 2.324 . 0 0 "[ . 1]" 1
919 1 64 ARG HA 1 65 ARG H . . 4.790 3.567 3.532 3.588 . 0 0 "[ . 1]" 1
920 1 64 ARG HA 1 67 ASN H . . 4.470 4.112 3.977 4.238 . 0 0 "[ . 1]" 1
921 1 64 ARG HA 1 67 ASN HB3 . . 3.920 3.250 3.102 3.367 . 0 0 "[ . 1]" 1
922 1 64 ARG HA 1 68 THR H . . 5.040 4.176 4.062 4.378 . 0 0 "[ . 1]" 1
923 1 64 ARG HB3 1 64 ARG HD3 . . 4.220 3.136 2.668 3.661 . 0 0 "[ . 1]" 1
924 1 64 ARG HB3 1 65 ARG H . . 4.340 2.631 2.459 2.819 . 0 0 "[ . 1]" 1
925 1 64 ARG HG3 1 68 THR H . . 5.300 5.189 4.816 5.482 0.182 3 0 "[ . 1]" 1
926 1 65 ARG H 1 65 ARG HB3 . . 3.630 3.631 3.553 3.680 0.050 10 0 "[ . 1]" 1
927 1 65 ARG H 1 65 ARG HD3 . . 4.130 3.284 2.788 3.908 . 0 0 "[ . 1]" 1
928 1 65 ARG H 1 66 LEU H . . 3.940 2.561 2.365 2.692 . 0 0 "[ . 1]" 1
929 1 65 ARG H 1 67 ASN H . . 5.420 4.201 4.085 4.288 . 0 0 "[ . 1]" 1
930 1 65 ARG H 1 68 THR HB . . 5.500 4.912 4.769 5.062 . 0 0 "[ . 1]" 1
931 1 65 ARG HA 1 65 ARG HD3 . . 4.390 2.769 2.128 3.658 . 0 0 "[ . 1]" 1
932 1 65 ARG HA 1 66 LEU H . . 4.890 3.592 3.563 3.611 . 0 0 "[ . 1]" 1
933 1 65 ARG HA 1 68 THR H . . 4.350 3.448 3.231 3.585 . 0 0 "[ . 1]" 1
934 1 65 ARG HA 1 68 THR HB . . 3.790 2.398 2.274 2.478 . 0 0 "[ . 1]" 1
935 1 65 ARG HA 1 68 THR MG . . 4.350 3.389 2.646 3.652 . 0 0 "[ . 1]" 1
936 1 65 ARG HB3 1 65 ARG HD3 . . 4.100 3.545 3.357 3.788 . 0 0 "[ . 1]" 1
937 1 66 LEU H 1 66 LEU HB3 . . 3.420 3.348 3.118 3.616 0.196 4 0 "[ . 1]" 1
938 1 66 LEU H 1 66 LEU QD . . 3.880 3.184 2.917 3.363 . 0 0 "[ . 1]" 1
939 1 66 LEU H 1 66 LEU HG . . 4.300 3.965 2.721 4.529 0.229 9 0 "[ . 1]" 1
940 1 66 LEU H 1 67 ASN H . . 4.000 2.973 2.868 3.032 . 0 0 "[ . 1]" 1
941 1 66 LEU H 1 68 THR H . . 4.510 4.357 4.119 4.539 0.029 4 0 "[ . 1]" 1
942 1 66 LEU H 1 68 THR HB . . 5.500 4.997 4.808 5.227 . 0 0 "[ . 1]" 1
943 1 66 LEU H 1 69 LEU QD . . 5.500 4.237 3.658 4.577 . 0 0 "[ . 1]" 1
944 1 66 LEU HA 1 66 LEU QD . . 3.130 2.072 2.036 2.144 . 0 0 "[ . 1]" 1
945 1 66 LEU HA 1 67 ASN H . . 4.410 3.633 3.599 3.657 . 0 0 "[ . 1]" 1
946 1 66 LEU HA 1 69 LEU H . . 4.080 3.198 3.121 3.333 . 0 0 "[ . 1]" 1
947 1 66 LEU HA 1 69 LEU QD . . 3.980 2.823 2.124 3.143 . 0 0 "[ . 1]" 1
948 1 66 LEU HB3 1 67 ASN H . . 4.100 3.102 2.836 3.554 . 0 0 "[ . 1]" 1
949 1 66 LEU HB3 1 68 THR H . . 5.500 5.501 5.273 5.825 0.325 4 0 "[ . 1]" 1
950 1 66 LEU MD1 1 66 LEU MD2 . . 2.960 2.030 2.015 2.037 . 0 0 "[ . 1]" 1
951 1 66 LEU QD 1 67 ASN H . . 4.750 4.265 4.222 4.310 . 0 0 "[ . 1]" 1
952 1 66 LEU QD 1 68 THR H . . 5.500 5.558 5.394 5.654 0.154 4 0 "[ . 1]" 1
953 1 66 LEU QD 1 69 LEU QD . . 3.350 2.416 2.098 2.764 . 0 0 "[ . 1]" 1
954 1 67 ASN H 1 67 ASN HB3 . . 3.540 2.527 2.466 2.594 . 0 0 "[ . 1]" 1
955 1 67 ASN H 1 67 ASN HD21 . . 5.500 4.672 4.484 4.759 . 0 0 "[ . 1]" 1
956 1 67 ASN H 1 68 THR H . . 3.810 2.898 2.794 2.938 . 0 0 "[ . 1]" 1
957 1 67 ASN H 1 68 THR HA . . 5.500 5.489 5.453 5.519 0.019 2 0 "[ . 1]" 1
958 1 67 ASN H 1 68 THR HB . . 5.400 4.747 4.661 4.837 . 0 0 "[ . 1]" 1
959 1 67 ASN H 1 69 LEU H . . 5.500 4.304 4.264 4.400 . 0 0 "[ . 1]" 1
960 1 67 ASN HA 1 68 THR H . . 4.770 3.640 3.625 3.654 . 0 0 "[ . 1]" 1
961 1 67 ASN HA 1 70 ASN H . . 4.230 3.537 3.229 3.737 . 0 0 "[ . 1]" 1
962 1 67 ASN HA 1 70 ASN HB3 . . 3.740 4.098 3.923 4.337 0.597 7 1 "[ . + 1]" 1
963 1 67 ASN HA 1 70 ASN HD21 . . 3.820 2.772 2.626 2.967 . 0 0 "[ . 1]" 1
964 1 67 ASN HA 1 70 ASN HD22 . . 5.500 4.114 4.001 4.333 . 0 0 "[ . 1]" 1
965 1 67 ASN HA 1 71 LYS H . . 5.250 3.605 3.355 3.744 . 0 0 "[ . 1]" 1
966 1 67 ASN HB3 1 68 THR H . . 4.070 2.565 2.446 2.794 . 0 0 "[ . 1]" 1
967 1 68 THR H 1 68 THR HB . . 3.460 2.232 2.092 2.341 . 0 0 "[ . 1]" 1
968 1 68 THR H 1 68 THR MG . . 3.590 3.660 3.265 3.752 0.162 8 0 "[ . 1]" 1
969 1 68 THR H 1 70 ASN H . . 4.340 4.478 4.156 4.575 0.235 7 0 "[ . 1]" 1
970 1 68 THR HA 1 68 THR MG . . 3.210 2.745 2.635 3.107 . 0 0 "[ . 1]" 1
971 1 68 THR HA 1 69 LEU H . . 4.880 3.588 3.571 3.605 . 0 0 "[ . 1]" 1
972 1 68 THR HA 1 70 ASN H . . 5.500 4.895 4.602 4.996 . 0 0 "[ . 1]" 1
973 1 68 THR HA 1 71 LYS H . . 4.840 3.785 3.680 3.874 . 0 0 "[ . 1]" 1
974 1 68 THR HA 1 71 LYS HB3 . . 4.330 2.841 2.533 4.130 . 0 0 "[ . 1]" 1
975 1 68 THR HA 1 72 CYS H . . 5.500 3.872 3.656 4.131 . 0 0 "[ . 1]" 1
976 1 68 THR HB 1 69 LEU H . . 3.930 2.846 2.692 3.469 . 0 0 "[ . 1]" 1
977 1 68 THR HB 1 69 LEU QD . . 4.660 3.522 2.859 4.185 . 0 0 "[ . 1]" 1
978 1 68 THR MG 1 69 LEU H . . 4.480 2.974 2.503 3.216 . 0 0 "[ . 1]" 1
979 1 68 THR MG 1 69 LEU HA . . 4.430 3.338 3.211 3.508 . 0 0 "[ . 1]" 1
980 1 68 THR MG 1 69 LEU QD . . 4.030 2.241 1.965 2.812 . 0 0 "[ . 1]" 1
981 1 68 THR MG 1 69 LEU HG . . 4.000 3.866 2.997 4.462 0.462 2 0 "[ . 1]" 1
982 1 68 THR MG 1 70 ASN H . . 5.500 5.087 4.842 5.284 . 0 0 "[ . 1]" 1
983 1 68 THR MG 1 71 LYS H . . 5.420 5.113 4.997 5.198 . 0 0 "[ . 1]" 1
984 1 68 THR MG 1 72 CYS H . . 5.420 4.342 4.147 4.571 . 0 0 "[ . 1]" 1
985 1 69 LEU H 1 69 LEU HB3 . . 4.060 3.530 3.443 3.585 . 0 0 "[ . 1]" 1
986 1 69 LEU H 1 69 LEU QD . . 3.840 2.735 2.367 3.123 . 0 0 "[ . 1]" 1
987 1 69 LEU H 1 69 LEU HG . . 4.000 3.251 2.305 4.165 0.165 5 0 "[ . 1]" 1
988 1 69 LEU H 1 70 ASN H . . 4.230 2.763 2.704 2.785 . 0 0 "[ . 1]" 1
989 1 69 LEU HA 1 69 LEU QD . . 3.230 2.084 2.019 2.151 . 0 0 "[ . 1]" 1
990 1 69 LEU HA 1 69 LEU HG . . 4.010 3.075 2.688 3.477 . 0 0 "[ . 1]" 1
991 1 69 LEU HA 1 70 ASN H . . 4.940 3.563 3.515 3.582 . 0 0 "[ . 1]" 1
992 1 69 LEU HA 1 71 LYS H . . 5.500 4.370 4.209 4.642 . 0 0 "[ . 1]" 1
993 1 69 LEU HA 1 72 CYS H . . 4.260 3.652 3.578 3.719 . 0 0 "[ . 1]" 1
994 1 69 LEU HA 1 72 CYS HB3 . . 5.000 4.429 4.084 4.845 . 0 0 "[ . 1]" 1
995 1 69 LEU HA 1 73 ALA H . . 5.300 4.184 4.001 4.552 . 0 0 "[ . 1]" 1
996 1 69 LEU HB3 1 70 ASN H . . 4.420 3.362 3.095 3.555 . 0 0 "[ . 1]" 1
997 1 69 LEU QD 1 70 ASN H . . 5.400 4.029 3.818 4.137 . 0 0 "[ . 1]" 1
998 1 69 LEU QD 1 72 CYS H . . 5.500 4.801 4.687 4.936 . 0 0 "[ . 1]" 1
999 1 69 LEU HG 1 70 ASN H . . 5.250 4.761 4.382 5.254 0.004 3 0 "[ . 1]" 1
1000 1 70 ASN H 1 70 ASN HB3 . . 3.820 3.582 3.566 3.629 . 0 0 "[ . 1]" 1
1001 1 70 ASN H 1 70 ASN HD21 . . 5.130 3.842 3.799 3.880 . 0 0 "[ . 1]" 1
1002 1 70 ASN H 1 70 ASN HD22 . . 5.100 4.078 3.987 4.192 . 0 0 "[ . 1]" 1
1003 1 70 ASN H 1 71 LYS H . . 4.100 2.731 2.667 2.807 . 0 0 "[ . 1]" 1
1004 1 70 ASN H 1 71 LYS HB3 . . 5.370 4.843 4.747 5.049 . 0 0 "[ . 1]" 1
1005 1 70 ASN H 1 72 CYS H . . 5.460 4.525 4.213 4.734 . 0 0 "[ . 1]" 1
1006 1 70 ASN H 1 73 ALA MB . . 5.500 4.211 4.125 4.376 . 0 0 "[ . 1]" 1
1007 1 70 ASN HA 1 71 LYS H . . 4.520 3.549 3.517 3.626 . 0 0 "[ . 1]" 1
1008 1 70 ASN HA 1 72 CYS H . . 5.500 4.972 4.792 5.105 . 0 0 "[ . 1]" 1
1009 1 70 ASN HA 1 73 ALA H . . 4.540 3.422 3.294 3.549 . 0 0 "[ . 1]" 1
1010 1 70 ASN HA 1 73 ALA MB . . 3.740 2.152 2.075 2.246 . 0 0 "[ . 1]" 1
1011 1 70 ASN HB3 1 71 LYS H . . 4.000 3.804 3.725 3.888 . 0 0 "[ . 1]" 1
1012 1 70 ASN HD22 1 71 LYS H . . 5.500 5.956 5.844 6.073 0.573 2 2 "[-+ . 1]" 1
1013 1 71 LYS H 1 71 LYS HB3 . . 3.480 2.387 2.264 2.496 . 0 0 "[ . 1]" 1
1014 1 71 LYS H 1 71 LYS HE3 . . 4.900 5.090 4.423 6.174 1.274 6 3 "[- *.+ 1]" 1
1015 1 71 LYS H 1 71 LYS HG3 . . 4.710 4.453 3.934 4.634 . 0 0 "[ . 1]" 1
1016 1 71 LYS H 1 72 CYS H . . 3.790 2.798 2.767 2.896 . 0 0 "[ . 1]" 1
1017 1 71 LYS H 1 73 ALA H . . 5.090 3.699 3.554 3.836 . 0 0 "[ . 1]" 1
1018 1 71 LYS HA 1 71 LYS HD3 . . 4.800 4.533 2.203 4.921 0.121 2 0 "[ . 1]" 1
1019 1 71 LYS HA 1 71 LYS HG3 . . 4.040 2.884 2.443 3.705 . 0 0 "[ . 1]" 1
1020 1 71 LYS HA 1 72 CYS H . . 4.300 3.642 3.617 3.657 . 0 0 "[ . 1]" 1
1021 1 71 LYS HA 1 74 VAL H . . 5.000 3.311 3.238 3.448 . 0 0 "[ . 1]" 1
1022 1 71 LYS HA 1 74 VAL QG . . 3.330 2.479 2.104 3.165 . 0 0 "[ . 1]" 1
1023 1 71 LYS HB3 1 71 LYS HD3 . . 3.700 3.611 2.852 3.756 0.056 5 0 "[ . 1]" 1
1024 1 71 LYS HB3 1 71 LYS HE3 . . 3.760 3.707 2.354 4.640 0.880 6 2 "[ -.+ 1]" 1
1025 1 71 LYS HB3 1 72 CYS H . . 4.020 2.614 2.380 3.902 . 0 0 "[ . 1]" 1
1026 1 71 LYS HB3 1 73 ALA H . . 5.500 4.808 4.600 5.467 . 0 0 "[ . 1]" 1
1027 1 71 LYS HD3 1 71 LYS HE3 . . 3.120 2.864 2.534 3.060 . 0 0 "[ . 1]" 1
1028 1 71 LYS HD3 1 71 LYS HG3 . . 3.000 2.616 2.551 2.677 . 0 0 "[ . 1]" 1
1029 1 71 LYS HE3 1 71 LYS HG3 . . 3.500 3.248 2.701 3.732 0.232 9 0 "[ . 1]" 1
1030 1 72 CYS H 1 72 CYS HB3 . . 3.840 3.560 3.346 3.601 . 0 0 "[ . 1]" 1
1031 1 72 CYS H 1 73 ALA H . . 2.800 2.814 2.705 2.872 0.072 2 0 "[ . 1]" 1
1032 1 72 CYS H 1 73 ALA HA . . 5.500 5.429 5.338 5.487 . 0 0 "[ . 1]" 1
1033 1 72 CYS H 1 73 ALA MB . . 5.500 4.384 4.281 4.461 . 0 0 "[ . 1]" 1
1034 1 72 CYS H 1 74 VAL H . . 5.500 4.437 4.290 4.616 . 0 0 "[ . 1]" 1
1035 1 72 CYS HA 1 73 ALA H . . 4.380 3.477 3.309 3.575 . 0 0 "[ . 1]" 1
1036 1 72 CYS HA 1 75 MET H . . 5.070 3.277 3.072 3.518 . 0 0 "[ . 1]" 1
1037 1 72 CYS HA 1 75 MET HG3 . . 4.560 3.549 2.128 4.955 0.395 10 0 "[ . 1]" 1
1038 1 72 CYS HB3 1 73 ALA H . . 4.240 3.955 3.273 4.303 0.063 6 0 "[ . 1]" 1
1039 1 73 ALA H 1 73 ALA MB . . 3.090 2.173 2.113 2.253 . 0 0 "[ . 1]" 1
1040 1 73 ALA H 1 74 VAL H . . 4.100 2.670 2.297 2.950 . 0 0 "[ . 1]" 1
1041 1 73 ALA H 1 74 VAL QG . . 5.250 4.103 3.487 4.795 . 0 0 "[ . 1]" 1
1042 1 73 ALA H 1 75 MET H . . 5.500 3.968 3.598 4.161 . 0 0 "[ . 1]" 1
1043 1 73 ALA HA 1 74 VAL H . . 4.020 3.560 3.479 3.640 . 0 0 "[ . 1]" 1
1044 1 73 ALA HA 1 76 LYS H . . 5.500 4.412 3.939 5.045 . 0 0 "[ . 1]" 1
1045 1 73 ALA MB 1 74 VAL H . . 3.740 2.857 2.620 3.064 . 0 0 "[ . 1]" 1
1046 1 73 ALA MB 1 74 VAL QG . . 3.600 3.387 3.170 3.820 0.220 7 0 "[ . 1]" 1
1047 1 73 ALA MB 1 75 MET H . . 5.500 4.581 4.345 4.710 . 0 0 "[ . 1]" 1
1048 1 74 VAL H 1 74 VAL HB . . 4.250 3.328 2.277 3.786 . 0 0 "[ . 1]" 1
1049 1 74 VAL H 1 74 VAL QG . . 3.100 2.346 2.040 3.009 . 0 0 "[ . 1]" 1
1050 1 74 VAL H 1 75 MET H . . 3.600 2.270 2.032 2.464 . 0 0 "[ . 1]" 1
1051 1 74 VAL H 1 75 MET HB3 . . 5.500 5.361 4.553 6.078 0.578 1 1 "[+ . 1]" 1
1052 1 74 VAL H 1 75 MET HG3 . . 5.500 4.891 4.046 5.841 0.341 9 0 "[ . 1]" 1
1053 1 74 VAL HA 1 74 VAL QG . . 3.070 2.198 2.087 2.270 . 0 0 "[ . 1]" 1
1054 1 74 VAL HA 1 75 MET H . . 3.650 3.510 3.416 3.579 . 0 0 "[ . 1]" 1
1055 1 74 VAL HB 1 75 MET H . . 4.960 3.780 3.372 4.131 . 0 0 "[ . 1]" 1
1056 1 74 VAL QG 1 75 MET H . . 3.820 2.573 2.341 2.834 . 0 0 "[ . 1]" 1
1057 1 74 VAL QG 1 75 MET HA . . 4.370 3.719 3.391 4.131 . 0 0 "[ . 1]" 1
1058 1 74 VAL QG 1 75 MET HB3 . . 4.170 3.674 2.542 4.579 0.409 3 0 "[ . 1]" 1
1059 1 74 VAL QG 1 75 MET HG3 . . 4.340 3.692 2.132 4.743 0.403 7 0 "[ . 1]" 1
1060 1 74 VAL QG 1 76 LYS H . . 5.500 4.425 4.197 4.767 . 0 0 "[ . 1]" 1
1061 1 75 MET H 1 75 MET HB3 . . 4.240 3.293 2.654 3.717 . 0 0 "[ . 1]" 1
1062 1 75 MET H 1 75 MET HG3 . . 4.350 3.181 2.514 3.980 . 0 0 "[ . 1]" 1
1063 1 75 MET H 1 76 LYS H . . 4.340 2.877 2.418 3.307 . 0 0 "[ . 1]" 1
1064 1 75 MET HA 1 75 MET HG3 . . 4.330 3.680 3.460 3.818 . 0 0 "[ . 1]" 1
1065 1 75 MET HA 1 76 LYS H . . 3.020 2.915 2.596 3.233 0.213 7 0 "[ . 1]" 1
1066 1 75 MET HG3 1 76 LYS H . . 5.500 4.801 3.310 5.969 0.469 9 0 "[ . 1]" 1
1067 1 76 LYS H 1 76 LYS HG3 . . 4.490 3.805 2.538 5.089 0.599 10 1 "[ . +]" 1
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