NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
391442 |
1pav   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pav
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 863
_Distance_constraint_stats_list.Viol_count 1291
_Distance_constraint_stats_list.Viol_total 7809.702
_Distance_constraint_stats_list.Viol_max 8.010
_Distance_constraint_stats_list.Viol_rms 0.4137
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0905
_Distance_constraint_stats_list.Viol_average_violations_only 0.6049
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 5.953 0.862 9 3 "[* -. +1]"
1 2 ASP 20.028 1.545 6 8 "[*****+ * *]"
1 3 VAL 15.176 0.786 10 8 "[*** **- *+]"
1 4 LYS 3.433 0.475 1 0 "[ . 1]"
1 5 PRO 9.008 1.136 5 10 [*-**+*****]
1 6 ASP 7.552 0.571 5 2 "[- + 1]"
1 7 ARG 5.400 0.519 1 1 "[+ . 1]"
1 8 VAL 8.325 0.601 8 7 "[****.*-+ 1]"
1 9 ILE 15.156 0.887 10 6 "[ -** **+]"
1 10 ASP 37.086 4.531 8 10 [******-+**]
1 11 ALA 12.409 0.547 4 6 "[ **+.* -*]"
1 12 ARG 21.657 1.944 4 10 [***+**-***]
1 13 GLY 12.521 1.151 5 10 [****+***-*]
1 14 SER 6.094 0.451 7 0 "[ . 1]"
1 15 TYR 8.813 1.159 5 10 [-***+*****]
1 16 CYS 17.066 0.840 4 9 "[ **+****-*]"
1 17 PRO 26.669 2.038 4 10 [***+*-****]
1 18 GLY 36.573 1.686 1 10 [+********-]
1 19 PRO 2.702 0.360 6 0 "[ . 1]"
1 20 LEU 37.872 1.686 1 10 [+****-****]
1 21 MET 41.596 2.038 4 10 [*-*+******]
1 22 GLU 0.353 0.146 10 0 "[ . 1]"
1 23 LEU 41.045 2.492 2 10 [*+******-*]
1 24 ILE 50.429 3.082 9 10 [*-******+*]
1 25 LYS 29.807 4.531 8 10 [-******+**]
1 26 ALA 1.125 0.800 2 1 "[ + . 1]"
1 27 TYR 33.726 2.489 1 10 [+-********]
1 28 LYS 11.712 1.528 10 7 "[** *- **+]"
1 29 GLN 7.591 2.057 6 4 "[ **.+- 1]"
1 30 ALA 0.371 0.068 8 0 "[ . 1]"
1 31 LYS 3.895 0.287 5 0 "[ . 1]"
1 32 VAL 14.589 0.701 8 6 "[**- .* + *]"
1 33 GLY 0.257 0.090 6 0 "[ . 1]"
1 34 GLU 2.861 0.287 5 0 "[ . 1]"
1 35 VAL 4.844 0.463 9 0 "[ . 1]"
1 36 ILE 26.975 1.528 10 10 [******-**+]
1 37 SER 17.350 1.136 5 10 [-***+*****]
1 38 VAL 22.793 1.121 8 9 [**-*.**+**]
1 39 TYR 163.747 8.010 1 10 [+****-****]
1 40 SER 28.408 1.896 2 10 [-+********]
1 41 THR 47.978 4.558 2 10 [*+*******-]
1 42 ASP 1.826 0.277 6 0 "[ . 1]"
1 43 ALA 2.657 0.569 10 1 "[ . +]"
1 44 GLY 6.360 0.419 8 0 "[ . 1]"
1 45 THR 27.710 0.984 5 10 [-***+*****]
1 46 LYS 20.258 0.783 8 10 [*******+-*]
1 47 LYS 2.444 0.449 6 0 "[ . 1]"
1 48 ASP 2.551 0.279 6 0 "[ . 1]"
1 49 ALA 2.113 0.217 5 0 "[ . 1]"
1 50 PRO 0.512 0.243 1 0 "[ . 1]"
1 51 ALA 15.358 1.573 5 10 [****+**-**]
1 52 TRP 63.556 2.236 6 10 [*****+**-*]
1 53 ILE 43.765 2.086 9 10 [*-******+*]
1 54 GLN 39.631 3.082 9 10 [**-*****+*]
1 55 LYS 19.710 2.489 1 10 [+*******-*]
1 56 SER 0.633 0.126 5 0 "[ . 1]"
1 57 GLY 5.563 1.102 6 3 "[ - *.+ 1]"
1 58 GLN 11.101 0.603 10 3 "[-* . +]"
1 59 GLU 9.476 0.523 6 2 "[ - .+ 1]"
1 60 LEU 3.882 0.583 7 2 "[ - + 1]"
1 61 VAL 13.359 0.859 6 5 "[ * -+** 1]"
1 62 GLY 0.000 0.000 . 0 "[ . 1]"
1 63 VAL 6.773 1.585 4 5 "[ **+* -]"
1 64 PHE 3.496 0.449 6 0 "[ . 1]"
1 65 ASP 8.354 0.707 1 9 "[+******- *]"
1 66 ARG 6.510 1.084 6 3 "[ - *+ 1]"
1 67 ASN 120.329 8.010 1 10 [+*-*******]
1 68 GLY 3.783 0.339 7 0 "[ . 1]"
1 69 TYR 32.521 3.963 7 10 [**-***+***]
1 70 TYR 47.090 3.282 8 10 [-******+**]
1 71 GLU 42.359 2.428 8 10 [*******+-*]
1 72 ILE 46.469 1.886 1 10 [+*********]
1 73 VAL 17.218 1.121 8 9 [****.*-+**]
1 74 MET 10.583 1.545 6 2 "[ * .+ 1]"
1 75 LYS 17.566 0.862 9 9 "[***** -*+*]"
1 76 LYS 23.551 2.086 9 10 [********+-]
1 77 VAL 8.966 1.278 9 5 "[** . -+*]"
1 78 LYS 5.201 1.102 6 3 "[ - *.+ 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 1 MET HA 1 2 ASP HA . . 5.000 4.531 4.289 5.290 0.290 6 0 "[ . 1]" 1
2 1 1 MET HA 1 3 VAL H . . 5.000 3.869 2.890 4.328 . 0 0 "[ . 1]" 1
3 1 1 MET HA 1 59 GLU H . . 5.000 4.433 2.875 5.378 0.378 1 0 "[ . 1]" 1
4 1 1 MET HA 1 59 GLU HA . . 5.000 3.999 3.310 5.251 0.251 6 0 "[ . 1]" 1
5 1 1 MET HA 1 60 LEU H . . 5.000 3.851 3.310 4.893 . 0 0 "[ . 1]" 1
6 1 1 MET HA 1 60 LEU HA . . 5.000 4.360 3.852 5.000 0.000 1 0 "[ . 1]" 1
7 1 1 MET HA 1 61 VAL H . . 5.000 4.124 2.499 4.990 . 0 0 "[ . 1]" 1
8 1 1 MET HA 1 61 VAL HA . . 5.000 3.776 2.597 5.008 0.008 7 0 "[ . 1]" 1
9 1 1 MET HA 1 74 MET HA . . 5.000 3.868 2.379 5.257 0.257 1 0 "[ . 1]" 1
10 1 1 MET HA 1 75 LYS H . . 5.000 2.985 1.123 4.241 . 0 0 "[ . 1]" 1
11 1 1 MET HA 1 75 LYS HA . . 5.000 4.785 3.214 5.862 0.862 9 3 "[* -. +1]" 1
12 1 1 MET ME 1 61 VAL HA . . 5.000 3.906 1.793 5.238 0.238 8 0 "[ . 1]" 1
13 1 1 MET HG3 1 3 VAL H . . 5.000 2.728 1.491 3.515 . 0 0 "[ . 1]" 1
14 1 1 MET HG3 1 3 VAL HB . . 5.000 4.083 2.532 5.444 0.444 1 0 "[ . 1]" 1
15 1 1 MET HG3 1 59 GLU HB3 . . 6.750 4.236 2.478 6.037 . 0 0 "[ . 1]" 1
16 1 2 ASP H 1 3 VAL H . . 5.000 2.433 1.832 3.019 . 0 0 "[ . 1]" 1
17 1 2 ASP H 1 3 VAL HA . . 5.000 4.529 3.969 5.289 0.289 6 0 "[ . 1]" 1
18 1 2 ASP H 1 35 VAL HB . . 5.000 4.321 3.326 5.285 0.285 3 0 "[ . 1]" 1
19 1 2 ASP H 1 59 GLU H . . 5.000 4.929 4.649 5.235 0.235 10 0 "[ . 1]" 1
20 1 2 ASP H 1 61 VAL H . . 5.000 5.397 4.841 5.859 0.859 6 3 "[ * .+ - 1]" 1
21 1 2 ASP H 1 61 VAL HA . . 5.000 4.641 3.752 5.341 0.341 7 0 "[ . 1]" 1
22 1 2 ASP H 1 74 MET H . . 5.000 5.314 4.504 6.545 1.545 6 2 "[ - .+ 1]" 1
23 1 2 ASP H 1 74 MET HA . . 5.000 4.519 4.036 5.503 0.503 6 1 "[ .+ 1]" 1
24 1 2 ASP H 1 75 LYS H . . 5.000 3.553 3.194 4.214 . 0 0 "[ . 1]" 1
25 1 2 ASP H 1 75 LYS HA . . 5.000 3.805 3.065 4.483 . 0 0 "[ . 1]" 1
26 1 2 ASP HA 1 3 VAL HB . . 5.000 4.301 4.062 4.552 . 0 0 "[ . 1]" 1
27 1 2 ASP HA 1 4 LYS H . . 5.000 3.198 3.054 3.350 . 0 0 "[ . 1]" 1
28 1 2 ASP HA 1 35 VAL HB . . 5.000 5.191 4.280 5.424 0.424 2 0 "[ . 1]" 1
29 1 2 ASP HA 1 75 LYS HA . . 5.000 5.548 4.961 5.775 0.775 5 7 "[****+ - *]" 1
30 1 2 ASP HB3 1 75 LYS HA . . 5.000 3.943 3.539 4.513 . 0 0 "[ . 1]" 1
31 1 3 VAL H 1 4 LYS H . . 5.000 3.162 3.118 3.243 . 0 0 "[ . 1]" 1
32 1 3 VAL H 1 36 ILE H . . 5.000 5.578 5.472 5.786 0.786 10 8 "[*** **- *+]" 1
33 1 3 VAL H 1 61 VAL H . . 5.000 5.130 4.800 5.272 0.272 1 0 "[ . 1]" 1
34 1 3 VAL H 1 61 VAL HA . . 5.000 3.782 3.475 4.073 . 0 0 "[ . 1]" 1
35 1 3 VAL H 1 61 VAL HB . . 5.000 3.657 2.958 4.049 . 0 0 "[ . 1]" 1
36 1 3 VAL H 1 73 VAL HB . . 5.000 3.224 2.885 3.432 . 0 0 "[ . 1]" 1
37 1 3 VAL H 1 74 MET H . . 5.000 5.158 5.061 5.283 0.283 8 0 "[ . 1]" 1
38 1 3 VAL H 1 74 MET HA . . 5.000 4.996 4.704 5.182 0.182 6 0 "[ . 1]" 1
39 1 3 VAL H 1 75 LYS H . . 5.000 5.016 4.855 5.130 0.130 6 0 "[ . 1]" 1
40 1 3 VAL HA 1 4 LYS HA . . 5.000 4.583 4.579 4.594 . 0 0 "[ . 1]" 1
41 1 3 VAL HA 1 61 VAL HA . . 5.000 4.833 4.394 5.181 0.181 8 0 "[ . 1]" 1
42 1 3 VAL HA 1 61 VAL HB . . 5.000 3.365 2.806 3.685 . 0 0 "[ . 1]" 1
43 1 3 VAL HA 1 62 GLY H . . 5.000 4.504 4.081 4.789 . 0 0 "[ . 1]" 1
44 1 3 VAL HA 1 73 VAL HB . . 5.000 2.497 2.262 2.727 . 0 0 "[ . 1]" 1
45 1 3 VAL HB 1 4 LYS H . . 5.000 3.627 3.392 3.785 . 0 0 "[ . 1]" 1
46 1 3 VAL HB 1 4 LYS HA . . 5.000 5.343 5.196 5.475 0.475 1 0 "[ . 1]" 1
47 1 3 VAL MG2 1 62 GLY H . . 5.000 2.127 1.819 2.462 . 0 0 "[ . 1]" 1
48 1 4 LYS H 1 5 PRO HA . . 5.000 4.575 4.563 4.607 . 0 0 "[ . 1]" 1
49 1 5 PRO HA 1 6 ASP HA . . 5.000 4.244 4.238 4.247 . 0 0 "[ . 1]" 1
50 1 5 PRO HA 1 35 VAL HA . . 5.000 4.220 3.808 4.533 . 0 0 "[ . 1]" 1
51 1 5 PRO HA 1 35 VAL HB . . 5.000 2.208 1.869 2.439 . 0 0 "[ . 1]" 1
52 1 5 PRO HA 1 36 ILE H . . 5.000 4.600 4.337 4.803 . 0 0 "[ . 1]" 1
53 1 5 PRO HA 1 36 ILE HA . . 5.000 4.571 4.382 5.026 0.026 5 0 "[ . 1]" 1
54 1 5 PRO HA 1 37 SER H . . 5.000 5.898 5.790 6.136 1.136 5 10 [*-**+*****] 1
55 1 6 ASP H 1 7 ARG H . . 5.000 4.186 4.176 4.216 . 0 0 "[ . 1]" 1
56 1 6 ASP H 1 7 ARG HA . . 5.000 5.103 5.087 5.149 0.149 5 0 "[ . 1]" 1
57 1 6 ASP H 1 35 VAL H . . 5.000 3.860 3.686 4.139 . 0 0 "[ . 1]" 1
58 1 6 ASP H 1 35 VAL HB . . 5.000 3.971 3.638 4.183 . 0 0 "[ . 1]" 1
59 1 6 ASP H 1 36 ILE H . . 5.000 5.305 5.000 5.536 0.536 1 1 "[+ . 1]" 1
60 1 6 ASP H 1 36 ILE HA . . 5.000 4.011 3.880 4.415 . 0 0 "[ . 1]" 1
61 1 6 ASP H 1 37 SER H . . 5.000 5.347 5.260 5.571 0.571 5 1 "[ + 1]" 1
62 1 6 ASP HA 1 7 ARG HA . . 5.000 4.365 4.364 4.366 . 0 0 "[ . 1]" 1
63 1 6 ASP HA 1 36 ILE HA . . 5.000 4.234 4.078 4.658 . 0 0 "[ . 1]" 1
64 1 6 ASP HA 1 37 SER H . . 5.000 4.221 4.108 4.572 . 0 0 "[ . 1]" 1
65 1 7 ARG H 1 8 VAL H . . 5.000 4.370 4.368 4.372 . 0 0 "[ . 1]" 1
66 1 7 ARG H 1 8 VAL HA . . 5.000 4.541 4.534 4.546 . 0 0 "[ . 1]" 1
67 1 7 ARG H 1 36 ILE HA . . 5.000 3.291 3.148 3.509 . 0 0 "[ . 1]" 1
68 1 7 ARG H 1 36 ILE HB . . 5.000 4.565 4.294 5.124 0.124 5 0 "[ . 1]" 1
69 1 7 ARG H 1 37 SER H . . 5.000 2.730 2.635 2.898 . 0 0 "[ . 1]" 1
70 1 7 ARG H 1 37 SER HA . . 5.000 5.425 5.306 5.519 0.519 1 1 "[+ . 1]" 1
71 1 7 ARG HA 1 8 VAL HA . . 5.000 4.446 4.438 4.467 . 0 0 "[ . 1]" 1
72 1 7 ARG HA 1 36 ILE HA . . 5.000 4.243 3.982 4.456 . 0 0 "[ . 1]" 1
73 1 7 ARG HA 1 36 ILE HB . . 5.000 4.435 4.199 4.655 . 0 0 "[ . 1]" 1
74 1 7 ARG HA 1 37 SER H . . 5.000 4.553 4.331 4.690 . 0 0 "[ . 1]" 1
75 1 7 ARG HB3 1 36 ILE HG13 . . 6.750 4.017 3.522 4.392 . 0 0 "[ . 1]" 1
76 1 7 ARG HD3 1 29 GLN QE . . 6.730 3.472 2.268 4.006 . 0 0 "[ . 1]" 1
77 1 7 ARG HG3 1 36 ILE MG . . 5.000 3.121 2.298 4.026 . 0 0 "[ . 1]" 1
78 1 8 VAL H 1 9 ILE H . . 5.000 4.152 4.097 4.176 . 0 0 "[ . 1]" 1
79 1 8 VAL H 1 9 ILE HA . . 5.000 5.053 4.998 5.077 0.077 7 0 "[ . 1]" 1
80 1 8 VAL H 1 9 ILE MD . . 5.000 4.167 2.337 5.601 0.601 8 3 "[ -.* + 1]" 1
81 1 8 VAL H 1 36 ILE HB . . 5.000 4.191 4.059 4.304 . 0 0 "[ . 1]" 1
82 1 8 VAL H 1 37 SER H . . 5.000 4.891 4.470 5.092 0.092 6 0 "[ . 1]" 1
83 1 8 VAL HA 1 9 ILE HA . . 5.000 4.347 4.345 4.349 . 0 0 "[ . 1]" 1
84 1 8 VAL HA 1 9 ILE HB . . 5.000 4.834 4.683 5.021 0.021 3 0 "[ . 1]" 1
85 1 8 VAL HA 1 10 ASP H . . 5.000 5.502 5.496 5.506 0.506 2 7 "[*+**.*-* 1]" 1
86 1 8 VAL HA 1 37 SER H . . 5.000 4.921 4.655 5.064 0.064 2 0 "[ . 1]" 1
87 1 8 VAL HA 1 38 VAL HA . . 5.000 5.052 5.008 5.117 0.117 9 0 "[ . 1]" 1
88 1 8 VAL HB 1 9 ILE H . . 5.000 4.174 3.810 4.558 . 0 0 "[ . 1]" 1
89 1 8 VAL HB 1 9 ILE HA . . 5.000 4.711 4.355 5.050 0.050 1 0 "[ . 1]" 1
90 1 9 ILE H 1 9 ILE MD . . 5.000 3.982 2.574 4.800 . 0 0 "[ . 1]" 1
91 1 9 ILE H 1 10 ASP H . . 5.000 3.928 3.921 3.933 . 0 0 "[ . 1]" 1
92 1 9 ILE H 1 10 ASP HA . . 5.000 4.727 4.719 4.730 . 0 0 "[ . 1]" 1
93 1 9 ILE H 1 36 ILE HB . . 5.000 5.518 5.290 5.887 0.887 10 3 "[ * -+]" 1
94 1 9 ILE H 1 37 SER H . . 5.000 4.586 4.375 4.709 . 0 0 "[ . 1]" 1
95 1 9 ILE H 1 38 VAL H . . 5.000 5.206 5.064 5.258 0.258 6 0 "[ . 1]" 1
96 1 9 ILE H 1 38 VAL HA . . 5.000 2.897 2.862 2.955 . 0 0 "[ . 1]" 1
97 1 9 ILE H 1 39 TYR H . . 5.000 4.641 4.588 4.684 . 0 0 "[ . 1]" 1
98 1 9 ILE HA 1 10 ASP HA . . 5.000 4.314 4.313 4.315 . 0 0 "[ . 1]" 1
99 1 9 ILE HA 1 38 VAL HA . . 5.000 3.540 3.423 3.646 . 0 0 "[ . 1]" 1
100 1 9 ILE HB 1 10 ASP H . . 5.000 4.371 4.270 4.434 . 0 0 "[ . 1]" 1
101 1 9 ILE HB 1 10 ASP HA . . 5.000 4.988 4.534 5.769 0.769 4 3 "[ +.* - 1]" 1
102 1 9 ILE HB 1 23 LEU HA . . 5.000 4.998 4.493 5.327 0.327 7 0 "[ . 1]" 1
103 1 9 ILE HB 1 26 ALA MB . . 5.000 3.815 2.768 4.286 . 0 0 "[ . 1]" 1
104 1 9 ILE HB 1 36 ILE HB . . 5.000 4.354 3.744 5.050 0.050 10 0 "[ . 1]" 1
105 1 9 ILE HB 1 37 SER H . . 5.000 4.524 4.021 5.066 0.066 6 0 "[ . 1]" 1
106 1 9 ILE HB 1 38 VAL H . . 5.000 3.925 3.288 5.297 0.297 6 0 "[ . 1]" 1
107 1 9 ILE HB 1 38 VAL HA . . 5.000 2.302 1.654 3.648 . 0 0 "[ . 1]" 1
108 1 9 ILE HB 1 38 VAL HB . . 5.000 2.372 1.676 3.212 . 0 0 "[ . 1]" 1
109 1 9 ILE HB 1 39 TYR H . . 5.000 4.368 3.775 5.456 0.456 4 0 "[ . 1]" 1
110 1 10 ASP H 1 11 ALA H . . 5.000 4.204 4.202 4.208 . 0 0 "[ . 1]" 1
111 1 10 ASP H 1 11 ALA HA . . 5.000 4.605 4.580 4.623 . 0 0 "[ . 1]" 1
112 1 10 ASP H 1 25 LYS HE3 . . 5.000 7.959 6.568 9.531 4.531 8 10 [-******+**] 1
113 1 10 ASP H 1 38 VAL HA . . 5.000 4.009 3.932 4.073 . 0 0 "[ . 1]" 1
114 1 10 ASP H 1 39 TYR H . . 5.000 3.596 3.540 3.673 . 0 0 "[ . 1]" 1
115 1 10 ASP HA 1 11 ALA HA . . 5.000 4.459 4.455 4.462 . 0 0 "[ . 1]" 1
116 1 10 ASP HA 1 11 ALA MB . . 5.000 3.873 3.856 3.897 . 0 0 "[ . 1]" 1
117 1 10 ASP HA 1 38 VAL HA . . 5.000 3.340 3.285 3.398 . 0 0 "[ . 1]" 1
118 1 10 ASP HA 1 38 VAL HB . . 5.000 4.949 4.791 5.079 0.079 9 0 "[ . 1]" 1
119 1 10 ASP HA 1 38 VAL MG1 . . 5.000 4.007 2.217 4.440 . 0 0 "[ . 1]" 1
120 1 10 ASP HA 1 39 TYR H . . 5.000 1.310 1.250 1.363 . 0 0 "[ . 1]" 1
121 1 10 ASP HA 1 39 TYR HA . . 5.000 3.628 3.571 3.712 . 0 0 "[ . 1]" 1
122 1 10 ASP HA 1 39 TYR QD . . 5.000 2.413 2.344 2.486 . 0 0 "[ . 1]" 1
123 1 10 ASP HA 1 40 SER HA . . 5.000 4.266 4.136 4.357 . 0 0 "[ . 1]" 1
124 1 11 ALA H 1 12 ARG H . . 5.000 4.188 4.170 4.217 . 0 0 "[ . 1]" 1
125 1 11 ALA H 1 12 ARG HA . . 5.000 4.539 4.515 4.578 . 0 0 "[ . 1]" 1
126 1 11 ALA H 1 19 PRO HA . . 5.000 5.268 5.122 5.360 0.360 6 0 "[ . 1]" 1
127 1 11 ALA H 1 39 TYR H . . 5.000 2.970 2.893 3.004 . 0 0 "[ . 1]" 1
128 1 11 ALA H 1 39 TYR HA . . 5.000 4.105 4.045 4.183 . 0 0 "[ . 1]" 1
129 1 11 ALA H 1 39 TYR QD . . 5.000 4.213 4.141 4.273 . 0 0 "[ . 1]" 1
130 1 11 ALA H 1 39 TYR QE . . 5.000 5.480 5.395 5.547 0.547 4 4 "[ **+.- 1]" 1
131 1 11 ALA H 1 40 SER H . . 5.000 3.795 3.733 3.907 . 0 0 "[ . 1]" 1
132 1 11 ALA H 1 40 SER HA . . 5.000 2.375 2.209 2.463 . 0 0 "[ . 1]" 1
133 1 11 ALA H 1 45 THR MG . . 5.000 4.268 4.010 5.303 0.303 10 0 "[ . 1]" 1
134 1 11 ALA HA 1 12 ARG HA . . 5.000 4.331 4.330 4.331 . 0 0 "[ . 1]" 1
135 1 11 ALA HA 1 13 GLY H . . 5.000 5.462 5.411 5.525 0.525 10 2 "[ . -+]" 1
136 1 11 ALA HA 1 14 SER H . . 5.000 4.719 4.627 4.865 . 0 0 "[ . 1]" 1
137 1 11 ALA HA 1 19 PRO HA . . 5.000 4.652 4.486 4.768 . 0 0 "[ . 1]" 1
138 1 11 ALA HA 1 40 SER HA . . 5.000 3.965 3.851 4.092 . 0 0 "[ . 1]" 1
139 1 11 ALA MB 1 14 SER H . . 5.000 2.913 2.851 3.000 . 0 0 "[ . 1]" 1
140 1 11 ALA MB 1 14 SER HA . . 5.000 4.065 4.029 4.095 . 0 0 "[ . 1]" 1
141 1 11 ALA MB 1 18 GLY H . . 6.030 4.135 3.791 4.740 . 0 0 "[ . 1]" 1
142 1 11 ALA MB 1 19 PRO HA . . 5.000 2.204 2.097 2.280 . 0 0 "[ . 1]" 1
143 1 11 ALA MB 1 22 GLU H . . 5.000 4.057 3.963 4.109 . 0 0 "[ . 1]" 1
144 1 11 ALA MB 1 40 SER HA . . 5.000 3.474 3.305 3.603 . 0 0 "[ . 1]" 1
145 1 12 ARG H 1 13 GLY H . . 5.000 4.184 4.154 4.221 . 0 0 "[ . 1]" 1
146 1 12 ARG H 1 14 SER H . . 5.000 4.125 4.025 4.281 . 0 0 "[ . 1]" 1
147 1 12 ARG H 1 40 SER HA . . 5.000 3.956 3.879 4.083 . 0 0 "[ . 1]" 1
148 1 12 ARG HA 1 14 SER H . . 5.000 3.714 3.684 3.738 . 0 0 "[ . 1]" 1
149 1 12 ARG HA 1 39 TYR QD . . 5.000 6.889 6.801 6.944 1.944 4 10 [***+**-***] 1
150 1 12 ARG HA 1 40 SER H . . 5.000 5.214 5.139 5.367 0.367 5 0 "[ . 1]" 1
151 1 12 ARG HA 1 40 SER HA . . 5.000 2.733 2.643 2.861 . 0 0 "[ . 1]" 1
152 1 12 ARG HA 1 41 THR H . . 5.000 2.135 2.042 2.242 . 0 0 "[ . 1]" 1
153 1 12 ARG HA 1 41 THR HA . . 5.000 4.413 4.209 4.598 . 0 0 "[ . 1]" 1
154 1 12 ARG HA 1 41 THR HB . . 5.000 2.429 2.152 2.630 . 0 0 "[ . 1]" 1
155 1 12 ARG HA 1 42 ASP H . . 5.000 3.075 2.930 3.134 . 0 0 "[ . 1]" 1
156 1 12 ARG HA 1 69 TYR HA . . 5.000 4.980 4.744 5.235 0.235 5 0 "[ . 1]" 1
157 1 13 GLY H 1 14 SER H . . 5.000 2.333 2.235 2.391 . 0 0 "[ . 1]" 1
158 1 13 GLY H 1 14 SER HA . . 5.000 4.937 4.860 4.985 . 0 0 "[ . 1]" 1
159 1 13 GLY H 1 15 TYR H . . 5.000 3.658 3.518 3.782 . 0 0 "[ . 1]" 1
160 1 13 GLY H 1 40 SER HA . . 5.000 4.147 4.057 4.267 . 0 0 "[ . 1]" 1
161 1 13 GLY H 1 41 THR H . . 5.000 2.142 2.019 2.415 . 0 0 "[ . 1]" 1
162 1 13 GLY H 1 41 THR HA . . 5.000 4.605 4.407 4.934 . 0 0 "[ . 1]" 1
163 1 13 GLY H 1 41 THR HB . . 5.000 3.048 2.765 3.251 . 0 0 "[ . 1]" 1
164 1 13 GLY H 1 42 ASP H . . 5.000 1.520 1.387 1.789 . 0 0 "[ . 1]" 1
165 1 13 GLY H 1 42 ASP HA . . 5.000 3.516 3.337 3.677 . 0 0 "[ . 1]" 1
166 1 13 GLY H 1 43 ALA H . . 5.000 4.262 4.131 4.511 . 0 0 "[ . 1]" 1
167 1 13 GLY H 1 70 TYR H . . 5.000 5.790 5.580 6.151 1.151 5 10 [-***+*****] 1
168 1 13 GLY QA 1 15 TYR H . . 5.880 2.975 2.912 3.047 . 0 0 "[ . 1]" 1
169 1 14 SER H 1 15 TYR H . . 5.000 2.476 2.386 2.576 . 0 0 "[ . 1]" 1
170 1 14 SER H 1 15 TYR HA . . 5.000 4.577 4.509 4.647 . 0 0 "[ . 1]" 1
171 1 14 SER H 1 40 SER HA . . 5.000 4.778 4.674 4.888 . 0 0 "[ . 1]" 1
172 1 14 SER H 1 41 THR H . . 5.000 3.715 3.617 3.869 . 0 0 "[ . 1]" 1
173 1 14 SER H 1 41 THR HB . . 5.000 5.293 5.072 5.451 0.451 7 0 "[ . 1]" 1
174 1 14 SER H 1 42 ASP H . . 5.000 3.243 3.163 3.393 . 0 0 "[ . 1]" 1
175 1 14 SER H 1 44 GLY H . . 5.000 5.215 5.110 5.362 0.362 10 0 "[ . 1]" 1
176 1 14 SER HA 1 15 TYR HA . . 5.000 5.102 5.049 5.136 0.136 5 0 "[ . 1]" 1
177 1 14 SER HA 1 15 TYR QD . . 5.000 3.398 2.616 4.082 . 0 0 "[ . 1]" 1
178 1 15 TYR H 1 15 TYR QE . . 5.000 5.776 5.600 6.159 1.159 5 10 [-***+*****] 1
179 1 15 TYR H 1 16 CYS H . . 5.000 4.670 4.669 4.671 . 0 0 "[ . 1]" 1
180 1 15 TYR H 1 18 GLY H . . 5.000 1.732 1.508 2.033 . 0 0 "[ . 1]" 1
181 1 15 TYR H 1 41 THR H . . 5.000 4.918 4.852 4.984 . 0 0 "[ . 1]" 1
182 1 15 TYR H 1 42 ASP H . . 5.000 3.738 3.662 3.811 . 0 0 "[ . 1]" 1
183 1 15 TYR H 1 42 ASP HA . . 5.000 4.108 4.027 4.191 . 0 0 "[ . 1]" 1
184 1 15 TYR H 1 44 GLY H . . 5.000 3.807 3.692 3.936 . 0 0 "[ . 1]" 1
185 1 15 TYR H 1 44 GLY QA . . 5.880 4.084 3.949 4.372 . 0 0 "[ . 1]" 1
186 1 15 TYR H 1 45 THR H . . 5.000 4.255 4.128 4.518 . 0 0 "[ . 1]" 1
187 1 15 TYR HA 1 16 CYS HA . . 5.000 4.743 4.713 4.785 . 0 0 "[ . 1]" 1
188 1 15 TYR HA 1 18 GLY H . . 5.000 2.687 2.229 3.029 . 0 0 "[ . 1]" 1
189 1 15 TYR HA 1 42 ASP H . . 5.000 4.942 4.860 5.018 0.018 7 0 "[ . 1]" 1
190 1 15 TYR HA 1 42 ASP HA . . 5.000 4.602 4.433 4.812 . 0 0 "[ . 1]" 1
191 1 15 TYR HA 1 43 ALA MB . . 6.030 5.193 5.124 5.274 . 0 0 "[ . 1]" 1
192 1 15 TYR HA 1 44 GLY H . . 5.000 2.791 2.594 3.003 . 0 0 "[ . 1]" 1
193 1 15 TYR HA 1 45 THR H . . 5.000 3.552 3.268 3.885 . 0 0 "[ . 1]" 1
194 1 15 TYR QD 1 16 CYS H . . 5.000 1.746 1.322 2.732 . 0 0 "[ . 1]" 1
195 1 16 CYS H 1 17 PRO HA . . 5.000 2.128 2.090 2.158 . 0 0 "[ . 1]" 1
196 1 16 CYS H 1 18 GLY H . . 5.000 3.959 3.136 4.446 . 0 0 "[ . 1]" 1
197 1 16 CYS H 1 45 THR H . . 5.000 4.357 4.124 4.542 . 0 0 "[ . 1]" 1
198 1 16 CYS HA 1 18 GLY H . . 5.000 5.485 4.840 5.840 0.840 4 6 "[ * +* * *-]" 1
199 1 16 CYS HA 1 20 LEU H . . 5.000 4.922 4.349 5.309 0.309 4 0 "[ . 1]" 1
200 1 16 CYS HA 1 44 GLY H . . 5.000 5.296 5.161 5.419 0.419 8 0 "[ . 1]" 1
201 1 16 CYS HA 1 45 THR H . . 5.000 4.425 4.234 4.476 . 0 0 "[ . 1]" 1
202 1 16 CYS HA 1 45 THR HA . . 5.000 3.308 2.565 3.496 . 0 0 "[ . 1]" 1
203 1 16 CYS HA 1 45 THR HB . . 5.000 5.260 5.069 5.409 0.409 4 0 "[ . 1]" 1
204 1 16 CYS HA 1 46 LYS H . . 5.000 5.541 5.204 5.783 0.783 8 5 "[ * .**+-1]" 1
205 1 16 CYS HA 1 47 LYS H . . 5.000 4.530 4.277 4.723 . 0 0 "[ . 1]" 1
206 1 16 CYS HA 1 48 ASP H . . 5.000 3.312 3.049 3.525 . 0 0 "[ . 1]" 1
207 1 16 CYS HB3 1 20 LEU MD1 . . 5.000 2.211 1.895 2.668 . 0 0 "[ . 1]" 1
208 1 17 PRO HA 1 20 LEU H . . 5.000 4.147 3.876 4.376 . 0 0 "[ . 1]" 1
209 1 17 PRO HA 1 20 LEU HA . . 5.000 5.856 5.553 6.102 1.102 4 10 [***+*-****] 1
210 1 17 PRO HA 1 20 LEU MD1 . . 5.000 4.851 4.764 4.980 . 0 0 "[ . 1]" 1
211 1 17 PRO HA 1 21 MET H . . 5.000 6.811 6.580 7.038 2.038 4 10 [***+***-**] 1
212 1 18 GLY H 1 20 LEU H . . 5.000 4.088 4.032 4.173 . 0 0 "[ . 1]" 1
213 1 18 GLY H 1 20 LEU HA . . 5.000 6.591 6.486 6.686 1.686 1 10 [+****-****] 1
214 1 18 GLY H 1 21 MET H . . 5.000 6.256 6.191 6.362 1.362 10 10 [*******-*+] 1
215 1 18 GLY H 1 45 THR HA . . 5.000 5.295 5.126 5.547 0.547 1 1 "[+ . 1]" 1
216 1 18 GLY QA 1 21 MET H . . 5.880 4.406 4.357 4.461 . 0 0 "[ . 1]" 1
217 1 19 PRO HA 1 20 LEU HA . . 5.000 4.835 4.806 4.854 . 0 0 "[ . 1]" 1
218 1 19 PRO HA 1 21 MET H . . 5.000 3.218 3.114 3.292 . 0 0 "[ . 1]" 1
219 1 19 PRO HA 1 22 GLU H . . 5.000 2.500 2.445 2.548 . 0 0 "[ . 1]" 1
220 1 19 PRO HA 1 22 GLU HA . . 5.000 4.219 4.048 4.312 . 0 0 "[ . 1]" 1
221 1 19 PRO HA 1 23 LEU H . . 5.000 4.922 4.787 5.011 0.011 8 0 "[ . 1]" 1
222 1 20 LEU H 1 20 LEU MD2 . . 5.000 3.570 3.261 4.031 . 0 0 "[ . 1]" 1
223 1 20 LEU H 1 21 MET H . . 5.000 2.867 2.814 2.897 . 0 0 "[ . 1]" 1
224 1 20 LEU H 1 22 GLU H . . 5.000 3.985 3.905 4.032 . 0 0 "[ . 1]" 1
225 1 20 LEU H 1 45 THR H . . 5.000 4.411 4.173 5.040 0.040 10 0 "[ . 1]" 1
226 1 20 LEU H 1 45 THR HA . . 5.000 3.284 3.166 3.638 . 0 0 "[ . 1]" 1
227 1 20 LEU H 1 45 THR HB . . 5.000 2.886 2.586 3.536 . 0 0 "[ . 1]" 1
228 1 20 LEU H 1 52 TRP HD1 . . 5.000 5.506 5.442 5.663 0.663 1 4 "[+ .- **1]" 1
229 1 20 LEU HA 1 21 MET HA . . 5.000 4.583 4.555 4.605 . 0 0 "[ . 1]" 1
230 1 20 LEU HA 1 22 GLU H . . 5.000 4.194 4.113 4.268 . 0 0 "[ . 1]" 1
231 1 20 LEU HA 1 23 LEU H . . 5.000 4.288 4.170 4.510 . 0 0 "[ . 1]" 1
232 1 20 LEU HA 1 45 THR HA . . 5.000 3.116 2.697 3.750 . 0 0 "[ . 1]" 1
233 1 20 LEU HA 1 45 THR HB . . 5.000 3.948 3.568 4.329 . 0 0 "[ . 1]" 1
234 1 20 LEU HA 1 49 ALA H . . 5.000 3.313 3.079 3.779 . 0 0 "[ . 1]" 1
235 1 20 LEU HA 1 49 ALA HA . . 5.000 2.292 2.161 2.608 . 0 0 "[ . 1]" 1
236 1 20 LEU HA 1 52 TRP H . . 5.000 4.071 3.960 4.255 . 0 0 "[ . 1]" 1
237 1 20 LEU HA 1 52 TRP HA . . 5.000 5.180 5.077 5.359 0.359 1 0 "[ . 1]" 1
238 1 20 LEU HA 1 52 TRP HE3 . . 5.000 4.267 4.110 4.437 . 0 0 "[ . 1]" 1
239 1 20 LEU HA 1 70 TYR QE . . 5.000 4.718 4.525 4.881 . 0 0 "[ . 1]" 1
240 1 20 LEU HB3 1 21 MET H . . 5.000 3.386 3.270 3.637 . 0 0 "[ . 1]" 1
241 1 20 LEU HB3 1 45 THR MG . . 5.000 4.806 2.038 5.663 0.663 1 1 "[+ . 1]" 1
242 1 20 LEU MD1 1 48 ASP HB3 . . 5.000 2.805 2.042 3.598 . 0 0 "[ . 1]" 1
243 1 20 LEU MD2 1 24 ILE MD . . 5.000 3.222 1.755 4.695 . 0 0 "[ . 1]" 1
244 1 20 LEU MD2 1 24 ILE MG . . 5.000 3.323 2.502 4.546 . 0 0 "[ . 1]" 1
245 1 20 LEU MD2 1 51 ALA H . . 5.000 4.894 4.188 5.720 0.720 3 3 "[ + .* - 1]" 1
246 1 20 LEU HG 1 21 MET H . . 5.000 4.596 4.303 4.815 . 0 0 "[ . 1]" 1
247 1 20 LEU HG 1 52 TRP H . . 5.000 4.550 3.858 6.061 1.061 5 2 "[ + -1]" 1
248 1 21 MET H 1 22 GLU H . . 5.000 2.216 2.159 2.264 . 0 0 "[ . 1]" 1
249 1 21 MET H 1 22 GLU HA . . 5.000 4.662 4.563 4.727 . 0 0 "[ . 1]" 1
250 1 21 MET H 1 23 LEU H . . 5.000 4.209 4.127 4.373 . 0 0 "[ . 1]" 1
251 1 21 MET HA 1 22 GLU HA . . 5.000 4.873 4.829 4.902 . 0 0 "[ . 1]" 1
252 1 21 MET HA 1 23 LEU H . . 5.000 3.671 3.475 3.747 . 0 0 "[ . 1]" 1
253 1 21 MET HA 1 24 ILE H . . 5.000 2.933 2.836 2.995 . 0 0 "[ . 1]" 1
254 1 21 MET HA 1 24 ILE HA . . 5.000 5.126 4.933 5.258 0.258 5 0 "[ . 1]" 1
255 1 21 MET HA 1 24 ILE HB . . 5.000 4.159 3.647 4.510 . 0 0 "[ . 1]" 1
256 1 21 MET HA 1 24 ILE HG13 . . 5.000 2.439 1.473 4.460 . 0 0 "[ . 1]" 1
257 1 21 MET HA 1 25 LYS H . . 5.000 3.955 3.766 4.080 . 0 0 "[ . 1]" 1
258 1 21 MET HA 1 52 TRP HB3 . . 5.000 3.020 2.878 3.187 . 0 0 "[ . 1]" 1
259 1 21 MET ME 1 27 TYR QE . . 5.000 5.881 4.551 6.752 1.752 8 8 "[*- ***+**]" 1
260 1 21 MET HG3 1 24 ILE HG13 . . 6.750 4.160 3.563 5.093 . 0 0 "[ . 1]" 1
261 1 22 GLU H 1 23 LEU H . . 5.000 2.804 2.707 2.871 . 0 0 "[ . 1]" 1
262 1 22 GLU H 1 24 ILE H . . 5.000 4.425 4.296 4.689 . 0 0 "[ . 1]" 1
263 1 22 GLU H 1 25 LYS H . . 5.000 4.638 4.559 4.755 . 0 0 "[ . 1]" 1
264 1 22 GLU H 1 38 VAL MG2 . . 5.000 4.407 4.189 5.045 0.045 5 0 "[ . 1]" 1
265 1 22 GLU H 1 52 TRP HZ2 . . 5.000 4.977 4.847 5.146 0.146 10 0 "[ . 1]" 1
266 1 22 GLU HA 1 23 LEU HA . . 5.000 4.731 4.708 4.740 . 0 0 "[ . 1]" 1
267 1 22 GLU HA 1 25 LYS H . . 5.000 3.513 3.331 3.645 . 0 0 "[ . 1]" 1
268 1 22 GLU HA 1 26 ALA H . . 5.000 4.299 4.137 4.507 . 0 0 "[ . 1]" 1
269 1 23 LEU H 1 24 ILE H . . 5.000 2.556 2.485 2.608 . 0 0 "[ . 1]" 1
270 1 23 LEU H 1 24 ILE HA . . 5.000 5.117 5.072 5.148 0.148 2 0 "[ . 1]" 1
271 1 23 LEU H 1 25 LYS H . . 5.000 3.797 3.682 3.864 . 0 0 "[ . 1]" 1
272 1 23 LEU H 1 26 ALA H . . 5.000 4.309 4.114 4.447 . 0 0 "[ . 1]" 1
273 1 23 LEU H 1 52 TRP HZ2 . . 5.000 5.424 5.285 5.589 0.589 10 4 "[* . *-+]" 1
274 1 23 LEU HA 1 24 ILE HA . . 5.000 4.786 4.738 4.828 . 0 0 "[ . 1]" 1
275 1 23 LEU HA 1 25 LYS H . . 5.000 4.251 4.106 4.458 . 0 0 "[ . 1]" 1
276 1 23 LEU HA 1 26 ALA H . . 5.000 3.072 2.822 3.267 . 0 0 "[ . 1]" 1
277 1 23 LEU HA 1 26 ALA MB . . 5.000 1.910 1.508 2.118 . 0 0 "[ . 1]" 1
278 1 23 LEU HA 1 27 TYR H . . 5.000 3.900 3.162 4.348 . 0 0 "[ . 1]" 1
279 1 23 LEU HA 1 52 TRP HE3 . . 5.000 2.617 2.343 2.982 . 0 0 "[ . 1]" 1
280 1 23 LEU HA 1 53 ILE H . . 5.000 4.825 4.530 5.067 0.067 10 0 "[ . 1]" 1
281 1 23 LEU HB3 1 24 ILE H . . 5.000 3.282 2.902 3.584 . 0 0 "[ . 1]" 1
282 1 23 LEU HB3 1 52 TRP H . . 5.000 4.184 3.409 5.025 0.025 8 0 "[ . 1]" 1
283 1 23 LEU QD 1 24 ILE HA . . 5.000 5.078 4.950 5.195 0.195 3 0 "[ . 1]" 1
284 1 23 LEU QD 1 53 ILE H . . 5.000 2.005 1.499 2.588 . 0 0 "[ . 1]" 1
285 1 23 LEU QD 1 58 GLN QE . . 5.870 4.939 4.440 5.375 . 0 0 "[ . 1]" 1
286 1 23 LEU QD 1 74 MET H . . 5.000 3.975 3.482 4.512 . 0 0 "[ . 1]" 1
287 1 23 LEU HG 1 49 ALA HA . . 5.000 4.469 3.450 5.217 0.217 5 0 "[ . 1]" 1
288 1 23 LEU HG 1 51 ALA H . . 5.000 6.319 5.959 6.573 1.573 5 10 [***-+*****] 1
289 1 23 LEU HG 1 52 TRP H . . 5.000 5.190 5.032 5.352 0.352 5 0 "[ . 1]" 1
290 1 23 LEU HG 1 52 TRP HE3 . . 5.000 2.283 1.108 3.395 . 0 0 "[ . 1]" 1
291 1 23 LEU HG 1 53 ILE H . . 5.000 3.995 3.229 4.667 . 0 0 "[ . 1]" 1
292 1 23 LEU HG 1 54 GLN H . . 5.000 6.758 5.913 7.492 2.492 2 10 [*+-*******] 1
293 1 24 ILE H 1 25 LYS H . . 5.000 2.690 2.554 2.792 . 0 0 "[ . 1]" 1
294 1 24 ILE H 1 26 ALA H . . 5.000 3.713 3.645 3.798 . 0 0 "[ . 1]" 1
295 1 24 ILE H 1 27 TYR H . . 5.000 4.767 4.480 4.944 . 0 0 "[ . 1]" 1
296 1 24 ILE H 1 27 TYR QD . . 5.000 3.786 3.377 4.009 . 0 0 "[ . 1]" 1
297 1 24 ILE H 1 52 TRP HA . . 5.000 3.151 2.958 3.265 . 0 0 "[ . 1]" 1
298 1 24 ILE H 1 53 ILE H . . 5.000 4.552 4.257 4.855 . 0 0 "[ . 1]" 1
299 1 24 ILE HA 1 25 LYS HA . . 5.000 4.662 4.604 4.692 . 0 0 "[ . 1]" 1
300 1 24 ILE HA 1 26 ALA H . . 5.000 3.833 3.725 4.030 . 0 0 "[ . 1]" 1
301 1 24 ILE HA 1 27 TYR H . . 5.000 3.516 3.381 3.695 . 0 0 "[ . 1]" 1
302 1 24 ILE HA 1 27 TYR QD . . 5.000 1.243 0.992 1.436 . 0 0 "[ . 1]" 1
303 1 24 ILE HA 1 27 TYR QE . . 5.000 2.109 1.836 2.403 . 0 0 "[ . 1]" 1
304 1 24 ILE HA 1 28 LYS H . . 5.000 5.189 4.861 5.373 0.373 4 0 "[ . 1]" 1
305 1 24 ILE HA 1 53 ILE HA . . 5.000 3.903 3.566 4.161 . 0 0 "[ . 1]" 1
306 1 24 ILE HA 1 53 ILE HB . . 5.000 5.832 5.470 6.099 1.099 8 8 "[*- ***+**]" 1
307 1 24 ILE HA 1 56 SER H . . 5.000 2.925 2.588 3.303 . 0 0 "[ . 1]" 1
308 1 24 ILE HA 1 56 SER HA . . 5.000 2.621 2.421 2.951 . 0 0 "[ . 1]" 1
309 1 24 ILE HA 1 56 SER HB3 . . 5.000 2.881 2.738 3.209 . 0 0 "[ . 1]" 1
310 1 24 ILE HB 1 25 LYS H . . 5.000 3.712 3.067 4.249 . 0 0 "[ . 1]" 1
311 1 24 ILE HB 1 25 LYS HA . . 5.000 4.533 4.020 5.213 0.213 1 0 "[ . 1]" 1
312 1 24 ILE HB 1 55 LYS H . . 5.000 5.194 4.587 5.939 0.939 2 4 "[ +**. -1]" 1
313 1 24 ILE MD 1 25 LYS H . . 5.000 3.221 2.098 4.299 . 0 0 "[ . 1]" 1
314 1 24 ILE MD 1 27 TYR QE . . 5.000 2.937 1.810 3.740 . 0 0 "[ . 1]" 1
315 1 24 ILE MD 1 52 TRP H . . 5.000 5.953 4.082 7.236 2.236 6 7 "[- *+****]" 1
316 1 24 ILE MD 1 54 GLN H . . 5.000 7.200 5.677 8.082 3.082 9 10 [**-*****+*] 1
317 1 24 ILE HG13 1 25 LYS H . . 5.000 2.640 2.232 4.105 . 0 0 "[ . 1]" 1
318 1 24 ILE HG13 1 27 TYR QD . . 5.000 4.592 4.088 4.834 . 0 0 "[ . 1]" 1
319 1 24 ILE HG13 1 52 TRP HB3 . . 6.750 3.364 2.294 5.380 . 0 0 "[ . 1]" 1
320 1 24 ILE MG 1 27 TYR QE . . 5.000 2.736 1.890 3.234 . 0 0 "[ . 1]" 1
321 1 24 ILE MG 1 52 TRP H . . 5.000 4.099 3.660 4.917 . 0 0 "[ . 1]" 1
322 1 24 ILE MG 1 53 ILE HA . . 5.000 4.076 3.772 4.667 . 0 0 "[ . 1]" 1
323 1 24 ILE MG 1 54 GLN H . . 5.000 4.562 4.255 5.024 0.024 1 0 "[ . 1]" 1
324 1 25 LYS H 1 25 LYS HG3 . . 5.000 2.352 2.263 2.459 . 0 0 "[ . 1]" 1
325 1 25 LYS H 1 26 ALA H . . 5.000 2.369 2.202 2.446 . 0 0 "[ . 1]" 1
326 1 25 LYS H 1 26 ALA HA . . 5.000 4.883 4.763 4.951 . 0 0 "[ . 1]" 1
327 1 25 LYS H 1 26 ALA MB . . 5.000 3.890 3.765 4.007 . 0 0 "[ . 1]" 1
328 1 25 LYS H 1 27 TYR H . . 5.000 4.264 4.012 4.407 . 0 0 "[ . 1]" 1
329 1 25 LYS H 1 27 TYR QD . . 5.000 4.134 3.915 4.230 . 0 0 "[ . 1]" 1
330 1 25 LYS H 1 52 TRP HB3 . . 5.000 4.030 3.846 4.168 . 0 0 "[ . 1]" 1
331 1 25 LYS HA 1 26 ALA HA . . 5.000 4.681 4.635 4.716 . 0 0 "[ . 1]" 1
332 1 25 LYS HA 1 27 TYR H . . 5.000 4.503 4.340 4.666 . 0 0 "[ . 1]" 1
333 1 25 LYS HA 1 27 TYR QE . . 5.000 3.385 3.151 3.653 . 0 0 "[ . 1]" 1
334 1 25 LYS HA 1 28 LYS H . . 5.000 3.730 3.611 3.846 . 0 0 "[ . 1]" 1
335 1 26 ALA H 1 27 TYR H . . 5.000 2.398 2.290 2.494 . 0 0 "[ . 1]" 1
336 1 26 ALA H 1 27 TYR QD . . 5.000 3.748 3.611 3.877 . 0 0 "[ . 1]" 1
337 1 26 ALA H 1 28 LYS H . . 5.000 3.919 3.803 4.059 . 0 0 "[ . 1]" 1
338 1 26 ALA H 1 29 GLN H . . 5.000 4.770 4.629 4.902 . 0 0 "[ . 1]" 1
339 1 26 ALA H 1 36 ILE MD . . 5.000 4.457 3.777 5.800 0.800 2 1 "[ + . 1]" 1
340 1 26 ALA HA 1 27 TYR HA . . 5.000 4.927 4.913 4.939 . 0 0 "[ . 1]" 1
341 1 26 ALA HA 1 28 LYS H . . 5.000 3.816 3.620 4.106 . 0 0 "[ . 1]" 1
342 1 26 ALA HA 1 29 GLN H . . 5.000 2.991 2.905 3.177 . 0 0 "[ . 1]" 1
343 1 26 ALA HA 1 29 GLN HA . . 5.000 4.963 4.867 5.074 0.074 2 0 "[ . 1]" 1
344 1 26 ALA HA 1 29 GLN QE . . 5.870 4.231 2.471 4.931 . 0 0 "[ . 1]" 1
345 1 26 ALA HA 1 30 ALA H . . 5.000 4.363 3.918 4.977 . 0 0 "[ . 1]" 1
346 1 26 ALA MB 1 27 TYR HA . . 5.000 3.764 3.664 3.832 . 0 0 "[ . 1]" 1
347 1 26 ALA MB 1 29 GLN H . . 5.000 4.020 3.924 4.088 . 0 0 "[ . 1]" 1
348 1 26 ALA MB 1 36 ILE HB . . 5.000 3.535 3.220 3.996 . 0 0 "[ . 1]" 1
349 1 27 TYR H 1 27 TYR QE . . 5.000 4.361 4.258 4.499 . 0 0 "[ . 1]" 1
350 1 27 TYR H 1 28 LYS H . . 5.000 2.912 2.896 2.950 . 0 0 "[ . 1]" 1
351 1 27 TYR H 1 29 GLN H . . 5.000 4.073 4.005 4.129 . 0 0 "[ . 1]" 1
352 1 27 TYR H 1 30 ALA H . . 5.000 4.835 4.608 5.068 0.068 8 0 "[ . 1]" 1
353 1 27 TYR H 1 56 SER HB3 . . 5.000 2.293 1.885 2.937 . 0 0 "[ . 1]" 1
354 1 27 TYR H 1 58 GLN QE . . 5.870 3.563 3.057 4.190 . 0 0 "[ . 1]" 1
355 1 27 TYR HA 1 28 LYS HA . . 5.000 4.719 4.689 4.766 . 0 0 "[ . 1]" 1
356 1 27 TYR HA 1 29 GLN H . . 5.000 3.972 3.761 4.122 . 0 0 "[ . 1]" 1
357 1 27 TYR HA 1 29 GLN QE . . 5.870 6.084 4.585 7.927 2.057 6 4 "[ **.+- 1]" 1
358 1 27 TYR HA 1 30 ALA H . . 5.000 3.374 3.283 3.449 . 0 0 "[ . 1]" 1
359 1 27 TYR HA 1 30 ALA MB . . 5.000 3.181 3.077 3.246 . 0 0 "[ . 1]" 1
360 1 27 TYR HA 1 76 LYS HA . . 5.000 4.458 4.233 4.720 . 0 0 "[ . 1]" 1
361 1 27 TYR QD 1 28 LYS H . . 5.000 2.309 2.065 2.550 . 0 0 "[ . 1]" 1
362 1 27 TYR QD 1 28 LYS HA . . 5.000 2.396 2.238 2.517 . 0 0 "[ . 1]" 1
363 1 27 TYR QD 1 55 LYS HE3 . . 5.000 6.668 6.115 7.489 2.489 1 10 [+*******-*] 1
364 1 27 TYR QD 1 56 SER H . . 5.000 3.000 2.835 3.271 . 0 0 "[ . 1]" 1
365 1 27 TYR QD 1 56 SER HA . . 5.000 1.798 1.526 2.615 . 0 0 "[ . 1]" 1
366 1 28 LYS H 1 29 GLN H . . 5.000 2.434 2.342 2.553 . 0 0 "[ . 1]" 1
367 1 28 LYS H 1 29 GLN HA . . 5.000 4.967 4.902 5.039 0.039 8 0 "[ . 1]" 1
368 1 28 LYS H 1 30 ALA H . . 5.000 4.229 4.117 4.414 . 0 0 "[ . 1]" 1
369 1 28 LYS H 1 36 ILE MD . . 5.000 5.897 4.766 6.528 1.528 10 7 "[** *- **+]" 1
370 1 28 LYS H 1 56 SER HA . . 5.000 4.898 4.484 5.054 0.054 4 0 "[ . 1]" 1
371 1 28 LYS H 1 58 GLN QE . . 5.870 4.679 4.223 5.768 . 0 0 "[ . 1]" 1
372 1 28 LYS HA 1 29 GLN HA . . 5.000 4.680 4.671 4.710 . 0 0 "[ . 1]" 1
373 1 28 LYS HA 1 30 ALA H . . 5.000 4.579 4.463 4.637 . 0 0 "[ . 1]" 1
374 1 29 GLN H 1 30 ALA H . . 5.000 2.519 2.504 2.579 . 0 0 "[ . 1]" 1
375 1 29 GLN HA 1 30 ALA HA . . 5.000 4.650 4.637 4.661 . 0 0 "[ . 1]" 1
376 1 29 GLN HA 1 30 ALA MB . . 6.030 4.983 4.974 4.995 . 0 0 "[ . 1]" 1
377 1 29 GLN QE 1 30 ALA H . . 5.870 3.816 1.864 5.367 . 0 0 "[ . 1]" 1
378 1 29 GLN QE 1 36 ILE MD . . 5.000 4.282 2.192 4.748 . 0 0 "[ . 1]" 1
379 1 29 GLN QE 1 36 ILE MG . . 5.870 3.207 2.095 4.328 . 0 0 "[ . 1]" 1
380 1 30 ALA H 1 31 LYS H . . 5.000 4.263 4.251 4.270 . 0 0 "[ . 1]" 1
381 1 30 ALA H 1 31 LYS HA . . 5.000 5.023 4.992 5.049 0.049 2 0 "[ . 1]" 1
382 1 30 ALA HA 1 31 LYS HA . . 5.000 4.615 4.615 4.616 . 0 0 "[ . 1]" 1
383 1 30 ALA MB 1 31 LYS HA . . 5.000 3.874 3.816 3.898 . 0 0 "[ . 1]" 1
384 1 30 ALA MB 1 35 VAL H . . 6.030 3.809 3.673 3.956 . 0 0 "[ . 1]" 1
385 1 31 LYS H 1 32 VAL H . . 5.000 4.372 4.359 4.383 . 0 0 "[ . 1]" 1
386 1 31 LYS H 1 32 VAL HA . . 5.000 4.896 4.856 4.932 . 0 0 "[ . 1]" 1
387 1 31 LYS H 1 34 GLU H . . 5.000 3.868 3.671 4.073 . 0 0 "[ . 1]" 1
388 1 31 LYS HA 1 32 VAL HA . . 5.000 4.264 4.263 4.266 . 0 0 "[ . 1]" 1
389 1 31 LYS HA 1 32 VAL HB . . 5.000 5.045 4.473 5.201 0.201 1 0 "[ . 1]" 1
390 1 31 LYS HA 1 34 GLU H . . 5.000 5.209 5.158 5.287 0.287 5 0 "[ . 1]" 1
391 1 31 LYS HA 1 78 LYS H . . 5.000 5.033 4.818 5.161 0.161 7 0 "[ . 1]" 1
392 1 32 VAL H 1 33 GLY H . . 5.000 4.598 4.505 4.661 . 0 0 "[ . 1]" 1
393 1 32 VAL H 1 34 GLU H . . 5.000 4.737 4.639 4.881 . 0 0 "[ . 1]" 1
394 1 32 VAL H 1 58 GLN QE . . 5.870 6.051 5.873 6.473 0.603 10 1 "[ . +]" 1
395 1 32 VAL H 1 77 VAL H . . 5.000 5.118 5.068 5.180 0.180 3 0 "[ . 1]" 1
396 1 32 VAL H 1 77 VAL HA . . 5.000 4.861 4.249 5.068 0.068 1 0 "[ . 1]" 1
397 1 32 VAL H 1 78 LYS H . . 5.000 3.761 3.646 3.880 . 0 0 "[ . 1]" 1
398 1 32 VAL H 1 78 LYS HE3 . . 5.000 3.410 2.725 3.859 . 0 0 "[ . 1]" 1
399 1 32 VAL HA 1 33 GLY QA . . 5.880 3.951 3.911 3.998 . 0 0 "[ . 1]" 1
400 1 32 VAL HA 1 34 GLU H . . 5.000 3.230 3.088 3.414 . 0 0 "[ . 1]" 1
401 1 32 VAL HA 1 57 GLY QA . . 5.880 5.083 4.852 5.289 . 0 0 "[ . 1]" 1
402 1 32 VAL HA 1 58 GLN HA . . 5.000 3.889 3.791 3.998 . 0 0 "[ . 1]" 1
403 1 32 VAL HA 1 59 GLU H . . 5.000 5.459 5.373 5.523 0.523 6 2 "[ - .+ 1]" 1
404 1 32 VAL HA 1 76 LYS HA . . 5.000 3.306 3.162 3.432 . 0 0 "[ . 1]" 1
405 1 32 VAL HA 1 77 VAL H . . 5.000 2.712 2.610 2.824 . 0 0 "[ . 1]" 1
406 1 32 VAL HA 1 77 VAL HA . . 5.000 2.391 1.814 2.596 . 0 0 "[ . 1]" 1
407 1 32 VAL HA 1 77 VAL HB . . 5.000 4.588 4.184 4.815 . 0 0 "[ . 1]" 1
408 1 32 VAL HA 1 78 LYS H . . 5.000 2.105 1.890 2.320 . 0 0 "[ . 1]" 1
409 1 32 VAL HA 1 78 LYS HE3 . . 5.000 4.815 4.382 5.160 0.160 5 0 "[ . 1]" 1
410 1 32 VAL HB 1 33 GLY H . . 5.000 3.876 3.523 4.444 . 0 0 "[ . 1]" 1
411 1 32 VAL HB 1 77 VAL H . . 5.000 3.997 3.738 5.275 0.275 8 0 "[ . 1]" 1
412 1 32 VAL HB 1 77 VAL HA . . 5.000 3.100 2.877 3.590 . 0 0 "[ . 1]" 1
413 1 32 VAL HB 1 77 VAL HB . . 5.000 5.019 4.457 5.701 0.701 8 1 "[ . + 1]" 1
414 1 32 VAL HB 1 78 LYS H . . 5.000 2.443 2.101 3.695 . 0 0 "[ . 1]" 1
415 1 32 VAL HB 1 78 LYS HA . . 5.000 3.654 3.116 5.455 0.455 8 0 "[ . 1]" 1
416 1 32 VAL MG1 1 34 GLU H . . 5.000 4.955 4.323 5.189 0.189 9 0 "[ . 1]" 1
417 1 32 VAL MG1 1 78 LYS H . . 5.000 3.609 3.300 3.901 . 0 0 "[ . 1]" 1
418 1 32 VAL MG2 1 33 GLY H . . 5.000 2.822 2.430 3.251 . 0 0 "[ . 1]" 1
419 1 32 VAL MG2 1 58 GLN HA . . 5.000 5.231 4.102 5.586 0.586 2 2 "[-+ . 1]" 1
420 1 32 VAL MG2 1 78 LYS H . . 5.000 3.379 1.496 3.956 . 0 0 "[ . 1]" 1
421 1 33 GLY H 1 34 GLU H . . 5.000 2.386 2.153 2.576 . 0 0 "[ . 1]" 1
422 1 33 GLY H 1 34 GLU HA . . 5.000 4.948 4.791 5.090 0.090 6 0 "[ . 1]" 1
423 1 33 GLY H 1 58 GLN HA . . 5.000 3.970 3.650 4.162 . 0 0 "[ . 1]" 1
424 1 33 GLY H 1 76 LYS HA . . 5.000 3.803 3.374 4.063 . 0 0 "[ . 1]" 1
425 1 33 GLY H 1 77 VAL H . . 5.000 3.276 3.041 3.445 . 0 0 "[ . 1]" 1
426 1 33 GLY H 1 77 VAL HA . . 5.000 1.732 1.537 1.976 . 0 0 "[ . 1]" 1
427 1 33 GLY H 1 77 VAL HB . . 5.000 3.938 3.179 4.230 . 0 0 "[ . 1]" 1
428 1 33 GLY H 1 77 VAL QG . . 5.000 2.199 1.697 2.451 . 0 0 "[ . 1]" 1
429 1 33 GLY H 1 78 LYS H . . 5.000 3.785 3.583 3.999 . 0 0 "[ . 1]" 1
430 1 33 GLY QA 1 34 GLU HA . . 5.880 3.996 3.990 4.003 . 0 0 "[ . 1]" 1
431 1 33 GLY QA 1 77 VAL HA . . 5.880 3.144 2.925 3.294 . 0 0 "[ . 1]" 1
432 1 34 GLU H 1 35 VAL H . . 5.000 4.489 4.477 4.498 . 0 0 "[ . 1]" 1
433 1 34 GLU H 1 35 VAL HA . . 5.000 4.965 4.918 5.003 0.003 8 0 "[ . 1]" 1
434 1 34 GLU H 1 59 GLU H . . 5.000 4.802 4.652 4.978 . 0 0 "[ . 1]" 1
435 1 34 GLU H 1 75 LYS HA . . 5.000 4.367 4.293 4.468 . 0 0 "[ . 1]" 1
436 1 34 GLU H 1 76 LYS H . . 5.000 2.974 2.821 3.097 . 0 0 "[ . 1]" 1
437 1 34 GLU H 1 76 LYS HA . . 5.000 3.570 3.338 3.750 . 0 0 "[ . 1]" 1
438 1 34 GLU H 1 76 LYS HB3 . . 5.000 2.997 2.406 3.330 . 0 0 "[ . 1]" 1
439 1 34 GLU H 1 77 VAL H . . 5.000 4.390 4.249 4.606 . 0 0 "[ . 1]" 1
440 1 34 GLU H 1 77 VAL HA . . 5.000 4.039 3.809 4.207 . 0 0 "[ . 1]" 1
441 1 34 GLU H 1 77 VAL QG . . 5.000 3.619 3.001 3.779 . 0 0 "[ . 1]" 1
442 1 34 GLU HA 1 35 VAL HA . . 5.000 4.505 4.479 4.524 . 0 0 "[ . 1]" 1
443 1 35 VAL H 1 36 ILE H . . 5.000 4.403 4.379 4.428 . 0 0 "[ . 1]" 1
444 1 35 VAL H 1 36 ILE HA . . 5.000 4.810 4.753 4.900 . 0 0 "[ . 1]" 1
445 1 35 VAL H 1 75 LYS HA . . 5.000 3.851 3.616 4.281 . 0 0 "[ . 1]" 1
446 1 35 VAL H 1 76 LYS H . . 5.000 3.686 3.528 3.975 . 0 0 "[ . 1]" 1
447 1 35 VAL HA 1 36 ILE HA . . 5.000 4.458 4.431 4.491 . 0 0 "[ . 1]" 1
448 1 35 VAL HA 1 74 MET H . . 5.000 3.898 3.586 4.282 . 0 0 "[ . 1]" 1
449 1 35 VAL HA 1 75 LYS H . . 5.000 3.988 3.734 4.523 . 0 0 "[ . 1]" 1
450 1 35 VAL HA 1 75 LYS HA . . 5.000 1.625 1.490 1.998 . 0 0 "[ . 1]" 1
451 1 35 VAL HA 1 76 LYS H . . 5.000 2.578 2.320 2.969 . 0 0 "[ . 1]" 1
452 1 35 VAL HB 1 36 ILE H . . 5.000 2.971 2.859 3.160 . 0 0 "[ . 1]" 1
453 1 35 VAL HB 1 36 ILE HA . . 5.000 4.258 4.013 4.787 . 0 0 "[ . 1]" 1
454 1 35 VAL HB 1 74 MET H . . 5.000 4.412 4.014 5.070 0.070 9 0 "[ . 1]" 1
455 1 35 VAL HB 1 75 LYS HA . . 5.000 3.616 3.548 3.693 . 0 0 "[ . 1]" 1
456 1 35 VAL HB 1 76 LYS H . . 5.000 5.109 4.995 5.267 0.267 5 0 "[ . 1]" 1
457 1 35 VAL MG1 1 36 ILE H . . 5.000 3.378 2.758 4.256 . 0 0 "[ . 1]" 1
458 1 35 VAL MG1 1 59 GLU H . . 5.000 4.229 3.629 5.463 0.463 9 0 "[ . 1]" 1
459 1 35 VAL MG2 1 36 ILE H . . 5.000 3.978 3.390 4.226 . 0 0 "[ . 1]" 1
460 1 36 ILE H 1 37 SER H . . 5.000 4.251 4.204 4.294 . 0 0 "[ . 1]" 1
461 1 36 ILE H 1 37 SER HA . . 5.000 4.458 4.438 4.494 . 0 0 "[ . 1]" 1
462 1 36 ILE H 1 61 VAL MG2 . . 5.000 3.809 3.297 4.323 . 0 0 "[ . 1]" 1
463 1 36 ILE H 1 73 VAL HA . . 5.000 3.954 3.719 4.242 . 0 0 "[ . 1]" 1
464 1 36 ILE H 1 73 VAL HB . . 5.000 4.157 3.525 4.521 . 0 0 "[ . 1]" 1
465 1 36 ILE H 1 73 VAL QG . . 5.000 3.334 3.096 3.566 . 0 0 "[ . 1]" 1
466 1 36 ILE H 1 74 MET H . . 5.000 2.094 1.752 2.588 . 0 0 "[ . 1]" 1
467 1 36 ILE H 1 75 LYS HA . . 5.000 3.579 3.354 3.735 . 0 0 "[ . 1]" 1
468 1 36 ILE H 1 76 LYS H . . 5.000 4.314 4.246 4.438 . 0 0 "[ . 1]" 1
469 1 36 ILE H 1 76 LYS HE3 . . 5.000 4.254 3.233 6.277 1.277 5 2 "[ + -]" 1
470 1 36 ILE HA 1 37 SER HA . . 5.000 4.319 4.315 4.325 . 0 0 "[ . 1]" 1
471 1 36 ILE HA 1 74 MET H . . 5.000 4.326 4.137 4.667 . 0 0 "[ . 1]" 1
472 1 36 ILE HB 1 37 SER H . . 5.000 3.168 3.072 3.360 . 0 0 "[ . 1]" 1
473 1 36 ILE MD 1 58 GLN QE . . 5.870 2.844 1.404 4.245 . 0 0 "[ . 1]" 1
474 1 37 SER H 1 38 VAL H . . 5.000 4.487 4.462 4.503 . 0 0 "[ . 1]" 1
475 1 37 SER H 1 73 VAL HA . . 5.000 4.395 4.267 4.598 . 0 0 "[ . 1]" 1
476 1 37 SER HA 1 38 VAL HA . . 5.000 4.412 4.409 4.414 . 0 0 "[ . 1]" 1
477 1 37 SER HA 1 38 VAL HB . . 5.000 4.293 4.203 4.405 . 0 0 "[ . 1]" 1
478 1 37 SER HA 1 73 VAL HA . . 5.000 2.009 1.813 2.298 . 0 0 "[ . 1]" 1
479 1 37 SER HA 1 73 VAL HB . . 5.000 3.838 3.554 3.996 . 0 0 "[ . 1]" 1
480 1 37 SER HA 1 74 MET H . . 5.000 3.712 3.432 3.992 . 0 0 "[ . 1]" 1
481 1 38 VAL H 1 39 TYR H . . 5.000 4.476 4.467 4.484 . 0 0 "[ . 1]" 1
482 1 38 VAL H 1 71 GLU HA . . 5.000 4.648 4.574 4.833 . 0 0 "[ . 1]" 1
483 1 38 VAL H 1 72 ILE H . . 5.000 2.433 2.368 2.562 . 0 0 "[ . 1]" 1
484 1 38 VAL H 1 72 ILE HA . . 5.000 3.952 3.870 4.053 . 0 0 "[ . 1]" 1
485 1 38 VAL H 1 73 VAL H . . 5.000 4.241 4.095 4.429 . 0 0 "[ . 1]" 1
486 1 38 VAL H 1 73 VAL HA . . 5.000 2.966 2.727 3.254 . 0 0 "[ . 1]" 1
487 1 38 VAL H 1 73 VAL HB . . 5.000 5.318 5.191 5.462 0.462 8 0 "[ . 1]" 1
488 1 38 VAL H 1 74 MET H . . 5.000 5.133 4.885 5.360 0.360 4 0 "[ . 1]" 1
489 1 38 VAL HA 1 39 TYR HA . . 5.000 4.518 4.508 4.528 . 0 0 "[ . 1]" 1
490 1 38 VAL HA 1 72 ILE H . . 5.000 3.792 3.710 3.851 . 0 0 "[ . 1]" 1
491 1 38 VAL HB 1 39 TYR H . . 5.000 3.920 3.792 3.994 . 0 0 "[ . 1]" 1
492 1 38 VAL HB 1 72 ILE H . . 5.000 3.333 2.306 3.564 . 0 0 "[ . 1]" 1
493 1 38 VAL HB 1 72 ILE HA . . 5.000 5.560 4.469 5.774 0.774 4 9 [**-+.*****] 1
494 1 38 VAL HB 1 72 ILE HB . . 5.000 4.378 3.236 5.108 0.108 1 0 "[ . 1]" 1
495 1 38 VAL HB 1 73 VAL H . . 5.000 5.824 4.969 6.121 1.121 8 9 [**-*.**+**] 1
496 1 38 VAL HB 1 73 VAL HA . . 5.000 4.412 4.160 4.706 . 0 0 "[ . 1]" 1
497 1 38 VAL MG1 1 70 TYR QE . . 5.000 4.145 3.448 4.428 . 0 0 "[ . 1]" 1
498 1 39 TYR H 1 40 SER H . . 5.000 4.402 4.401 4.403 . 0 0 "[ . 1]" 1
499 1 39 TYR H 1 40 SER HA . . 5.000 4.799 4.734 4.826 . 0 0 "[ . 1]" 1
500 1 39 TYR H 1 71 GLU HA . . 5.000 3.356 3.217 3.467 . 0 0 "[ . 1]" 1
501 1 39 TYR H 1 72 ILE H . . 5.000 3.836 3.746 3.935 . 0 0 "[ . 1]" 1
502 1 39 TYR HA 1 40 SER HA . . 5.000 4.506 4.485 4.514 . 0 0 "[ . 1]" 1
503 1 39 TYR HA 1 71 GLU HA . . 5.000 1.541 1.214 1.854 . 0 0 "[ . 1]" 1
504 1 39 TYR HA 1 72 ILE H . . 5.000 3.392 3.169 3.691 . 0 0 "[ . 1]" 1
505 1 39 TYR QD 1 40 SER H . . 5.000 4.570 4.554 4.588 . 0 0 "[ . 1]" 1
506 1 39 TYR QD 1 40 SER HA . . 5.000 5.133 5.091 5.187 0.187 2 0 "[ . 1]" 1
507 1 39 TYR QD 1 69 TYR QD . . 5.000 2.920 2.364 4.800 . 0 0 "[ . 1]" 1
508 1 39 TYR QE 1 40 SER HA . . 5.000 6.795 6.712 6.896 1.896 2 10 [*+*******-] 1
509 1 39 TYR QE 1 41 THR MG . . 5.000 9.412 9.072 9.558 4.558 2 10 [*+*******-] 1
510 1 39 TYR QE 1 67 ASN QD . . 5.870 12.957 10.887 13.880 8.010 1 10 [+***-*****] 1
511 1 39 TYR QE 1 69 TYR QE . . 5.000 4.620 3.804 7.360 2.360 8 2 "[ . -+ 1]" 1
512 1 40 SER H 1 41 THR H . . 5.000 4.356 4.353 4.365 . 0 0 "[ . 1]" 1
513 1 40 SER H 1 41 THR HA . . 5.000 4.534 4.525 4.555 . 0 0 "[ . 1]" 1
514 1 40 SER H 1 69 TYR HA . . 5.000 3.891 3.593 4.110 . 0 0 "[ . 1]" 1
515 1 40 SER H 1 69 TYR QD . . 5.000 3.507 3.207 4.326 . 0 0 "[ . 1]" 1
516 1 40 SER H 1 70 TYR H . . 5.000 2.840 2.654 3.077 . 0 0 "[ . 1]" 1
517 1 40 SER H 1 70 TYR HA . . 5.000 3.437 3.326 3.530 . 0 0 "[ . 1]" 1
518 1 40 SER H 1 70 TYR QD . . 5.000 3.512 3.153 3.588 . 0 0 "[ . 1]" 1
519 1 40 SER H 1 71 GLU H . . 5.000 3.757 3.531 3.899 . 0 0 "[ . 1]" 1
520 1 40 SER H 1 71 GLU HA . . 5.000 3.152 2.969 3.406 . 0 0 "[ . 1]" 1
521 1 40 SER H 1 72 ILE H . . 5.000 5.606 5.408 5.878 0.878 8 8 [-***.**+*1] 1
522 1 40 SER HA 1 41 THR HA . . 5.000 4.533 4.528 4.540 . 0 0 "[ . 1]" 1
523 1 40 SER HA 1 41 THR HB . . 5.000 4.280 4.010 4.388 . 0 0 "[ . 1]" 1
524 1 40 SER HA 1 42 ASP H . . 5.000 4.302 4.247 4.334 . 0 0 "[ . 1]" 1
525 1 40 SER HA 1 69 TYR HA . . 5.000 4.550 4.346 4.688 . 0 0 "[ . 1]" 1
526 1 40 SER HA 1 70 TYR H . . 5.000 4.105 3.967 4.312 . 0 0 "[ . 1]" 1
527 1 40 SER HA 1 70 TYR QE . . 5.000 4.283 3.971 5.738 0.738 1 1 "[+ . 1]" 1
528 1 40 SER HA 1 71 GLU HA . . 5.000 4.979 4.844 5.069 0.069 2 0 "[ . 1]" 1
529 1 40 SER HB3 1 71 GLU HB3 . . 6.750 5.393 5.238 5.524 . 0 0 "[ . 1]" 1
530 1 41 THR H 1 42 ASP H . . 5.000 1.708 1.658 1.743 . 0 0 "[ . 1]" 1
531 1 41 THR H 1 42 ASP HA . . 5.000 4.291 4.265 4.307 . 0 0 "[ . 1]" 1
532 1 41 THR H 1 43 ALA H . . 5.000 3.369 3.313 3.609 . 0 0 "[ . 1]" 1
533 1 41 THR H 1 69 TYR HA . . 5.000 4.102 4.009 4.155 . 0 0 "[ . 1]" 1
534 1 41 THR H 1 70 TYR H . . 5.000 3.704 3.585 3.787 . 0 0 "[ . 1]" 1
535 1 41 THR H 1 70 TYR QD . . 5.000 3.312 3.046 4.067 . 0 0 "[ . 1]" 1
536 1 41 THR HA 1 42 ASP HA . . 5.000 4.869 4.823 4.903 . 0 0 "[ . 1]" 1
537 1 41 THR HA 1 43 ALA H . . 5.000 3.535 3.300 4.139 . 0 0 "[ . 1]" 1
538 1 41 THR HA 1 68 GLY H . . 5.000 5.063 4.937 5.151 0.151 4 0 "[ . 1]" 1
539 1 41 THR HA 1 69 TYR H . . 5.000 4.556 4.358 4.634 . 0 0 "[ . 1]" 1
540 1 41 THR HA 1 69 TYR HA . . 5.000 2.050 1.755 2.235 . 0 0 "[ . 1]" 1
541 1 41 THR HA 1 70 TYR H . . 5.000 2.205 2.101 2.361 . 0 0 "[ . 1]" 1
542 1 41 THR HA 1 70 TYR HA . . 5.000 4.973 4.879 5.114 0.114 8 0 "[ . 1]" 1
543 1 41 THR HA 1 70 TYR QD . . 5.000 2.892 2.226 4.861 . 0 0 "[ . 1]" 1
544 1 41 THR HB 1 42 ASP H . . 5.000 3.034 2.938 3.258 . 0 0 "[ . 1]" 1
545 1 41 THR HB 1 42 ASP HA . . 5.000 4.538 4.409 4.885 . 0 0 "[ . 1]" 1
546 1 41 THR HB 1 69 TYR HA . . 5.000 3.803 3.459 3.967 . 0 0 "[ . 1]" 1
547 1 41 THR HB 1 70 TYR H . . 5.000 4.725 4.417 4.883 . 0 0 "[ . 1]" 1
548 1 41 THR MG 1 68 GLY QA . . 5.880 3.890 3.525 4.609 . 0 0 "[ . 1]" 1
549 1 42 ASP H 1 43 ALA H . . 5.000 2.816 2.714 2.992 . 0 0 "[ . 1]" 1
550 1 42 ASP H 1 44 GLY H . . 5.000 4.239 4.159 4.499 . 0 0 "[ . 1]" 1
551 1 42 ASP H 1 45 THR H . . 5.000 5.179 5.121 5.277 0.277 6 0 "[ . 1]" 1
552 1 42 ASP H 1 70 TYR H . . 5.000 4.799 4.718 4.865 . 0 0 "[ . 1]" 1
553 1 42 ASP HA 1 43 ALA MB . . 5.000 3.900 3.815 3.960 . 0 0 "[ . 1]" 1
554 1 42 ASP HA 1 44 GLY H . . 5.000 4.491 4.405 4.686 . 0 0 "[ . 1]" 1
555 1 43 ALA H 1 44 GLY H . . 5.000 2.446 2.136 2.557 . 0 0 "[ . 1]" 1
556 1 43 ALA H 1 45 THR H . . 5.000 3.774 3.188 3.950 . 0 0 "[ . 1]" 1
557 1 43 ALA H 1 45 THR HB . . 5.000 5.227 5.045 5.569 0.569 10 1 "[ . +]" 1
558 1 43 ALA H 1 46 LYS H . . 5.000 4.413 4.131 4.493 . 0 0 "[ . 1]" 1
559 1 43 ALA H 1 70 TYR H . . 5.000 4.047 3.828 4.453 . 0 0 "[ . 1]" 1
560 1 43 ALA H 1 70 TYR QD . . 5.000 1.963 1.542 3.487 . 0 0 "[ . 1]" 1
561 1 43 ALA H 1 70 TYR QE . . 5.000 2.317 1.458 5.357 0.357 1 0 "[ . 1]" 1
562 1 43 ALA HA 1 45 THR H . . 5.000 4.213 3.960 4.322 . 0 0 "[ . 1]" 1
563 1 43 ALA HA 1 46 LYS H . . 5.000 3.564 3.508 3.626 . 0 0 "[ . 1]" 1
564 1 43 ALA HA 1 70 TYR H . . 5.000 4.486 4.274 4.771 . 0 0 "[ . 1]" 1
565 1 43 ALA HA 1 70 TYR QD . . 5.000 2.696 2.229 4.187 . 0 0 "[ . 1]" 1
566 1 43 ALA MB 1 45 THR H . . 6.030 5.109 4.908 5.176 . 0 0 "[ . 1]" 1
567 1 43 ALA MB 1 66 ARG HA . . 5.000 4.329 4.108 4.460 . 0 0 "[ . 1]" 1
568 1 44 GLY H 1 45 THR H . . 5.000 2.051 1.843 2.125 . 0 0 "[ . 1]" 1
569 1 44 GLY H 1 45 THR HA . . 5.000 4.713 4.536 4.778 . 0 0 "[ . 1]" 1
570 1 44 GLY H 1 45 THR HB . . 5.000 4.125 3.859 5.019 0.019 10 0 "[ . 1]" 1
571 1 44 GLY H 1 46 LYS H . . 5.000 3.448 3.382 3.561 . 0 0 "[ . 1]" 1
572 1 44 GLY H 1 47 LYS H . . 5.000 5.121 5.042 5.188 0.188 10 0 "[ . 1]" 1
573 1 44 GLY H 1 70 TYR QD . . 5.000 3.824 3.668 4.337 . 0 0 "[ . 1]" 1
574 1 44 GLY H 1 70 TYR QE . . 5.000 3.061 2.467 5.019 0.019 10 0 "[ . 1]" 1
575 1 44 GLY QA 1 47 LYS H . . 5.880 3.712 3.540 3.898 . 0 0 "[ . 1]" 1
576 1 45 THR H 1 46 LYS H . . 5.000 2.576 2.367 2.618 . 0 0 "[ . 1]" 1
577 1 45 THR H 1 46 LYS HA . . 5.000 5.060 4.859 5.118 0.118 8 0 "[ . 1]" 1
578 1 45 THR H 1 47 LYS H . . 5.000 4.301 4.192 4.370 . 0 0 "[ . 1]" 1
579 1 45 THR H 1 48 ASP H . . 5.000 4.656 4.604 4.741 . 0 0 "[ . 1]" 1
580 1 45 THR H 1 52 TRP HZ2 . . 5.000 3.695 3.372 4.180 . 0 0 "[ . 1]" 1
581 1 45 THR H 1 70 TYR QD . . 5.000 3.906 3.160 4.080 . 0 0 "[ . 1]" 1
582 1 45 THR H 1 70 TYR QE . . 5.000 2.917 2.780 3.576 . 0 0 "[ . 1]" 1
583 1 45 THR HA 1 47 LYS H . . 5.000 3.689 3.541 3.844 . 0 0 "[ . 1]" 1
584 1 45 THR HA 1 48 ASP H . . 5.000 2.674 2.585 2.815 . 0 0 "[ . 1]" 1
585 1 45 THR HA 1 48 ASP HA . . 5.000 4.638 4.575 4.728 . 0 0 "[ . 1]" 1
586 1 45 THR HA 1 49 ALA H . . 5.000 2.328 2.055 2.990 . 0 0 "[ . 1]" 1
587 1 45 THR HA 1 49 ALA HA . . 5.000 3.896 3.552 4.504 . 0 0 "[ . 1]" 1
588 1 45 THR HA 1 49 ALA MB . . 5.000 3.178 2.715 3.899 . 0 0 "[ . 1]" 1
589 1 45 THR HB 1 46 LYS H . . 5.000 3.812 3.540 4.168 . 0 0 "[ . 1]" 1
590 1 45 THR HB 1 46 LYS HA . . 5.000 5.389 4.169 5.720 0.720 1 4 "[+ - .* * 1]" 1
591 1 45 THR HB 1 48 ASP H . . 5.000 5.210 4.770 5.279 0.279 6 0 "[ . 1]" 1
592 1 45 THR HB 1 49 ALA H . . 5.000 4.264 3.602 4.460 . 0 0 "[ . 1]" 1
593 1 45 THR HB 1 49 ALA HA . . 5.000 4.708 3.727 5.023 0.023 4 0 "[ . 1]" 1
594 1 45 THR HB 1 49 ALA MB . . 5.000 3.481 2.984 3.766 . 0 0 "[ . 1]" 1
595 1 45 THR HB 1 52 TRP HZ2 . . 5.000 2.005 1.321 2.405 . 0 0 "[ . 1]" 1
596 1 45 THR HB 1 70 TYR QD . . 5.000 3.957 3.534 4.141 . 0 0 "[ . 1]" 1
597 1 45 THR HB 1 70 TYR QE . . 5.000 1.823 1.353 2.585 . 0 0 "[ . 1]" 1
598 1 45 THR HB 1 71 GLU HA . . 5.000 5.812 5.228 5.984 0.984 5 9 [****+**-*1] 1
599 1 45 THR MG 1 49 ALA H . . 5.000 3.393 3.055 3.924 . 0 0 "[ . 1]" 1
600 1 46 LYS H 1 47 LYS H . . 5.000 2.814 2.737 2.851 . 0 0 "[ . 1]" 1
601 1 46 LYS H 1 48 ASP H . . 5.000 4.159 4.055 4.326 . 0 0 "[ . 1]" 1
602 1 46 LYS H 1 49 ALA H . . 5.000 3.969 3.915 4.173 . 0 0 "[ . 1]" 1
603 1 46 LYS H 1 49 ALA MB . . 5.000 3.465 3.208 3.715 . 0 0 "[ . 1]" 1
604 1 46 LYS H 1 52 TRP HZ2 . . 5.000 4.385 4.198 4.554 . 0 0 "[ . 1]" 1
605 1 46 LYS H 1 70 TYR QD . . 5.000 3.267 3.071 3.595 . 0 0 "[ . 1]" 1
606 1 46 LYS H 1 70 TYR HD2 . . 5.000 4.411 3.216 4.795 . 0 0 "[ . 1]" 1
607 1 46 LYS HA 1 47 LYS HA . . 5.000 4.619 4.616 4.627 . 0 0 "[ . 1]" 1
608 1 46 LYS HA 1 48 ASP H . . 5.000 4.807 4.719 4.974 . 0 0 "[ . 1]" 1
609 1 46 LYS HA 1 49 ALA H . . 5.000 3.847 3.615 3.985 . 0 0 "[ . 1]" 1
610 1 46 LYS HA 1 49 ALA MB . . 5.000 2.441 2.279 2.570 . 0 0 "[ . 1]" 1
611 1 46 LYS HA 1 64 PHE HA . . 5.000 4.398 4.238 4.549 . 0 0 "[ . 1]" 1
612 1 46 LYS HA 1 65 ASP H . . 5.000 5.548 5.461 5.707 0.707 1 7 "[+* ** *- *]" 1
613 1 46 LYS HA 1 70 TYR QD . . 5.000 3.306 2.760 3.537 . 0 0 "[ . 1]" 1
614 1 46 LYS HA 1 71 GLU H . . 5.000 4.781 4.256 4.977 . 0 0 "[ . 1]" 1
615 1 46 LYS HA 1 71 GLU HA . . 5.000 5.379 5.197 5.606 0.606 1 1 "[+ . 1]" 1
616 1 46 LYS HA 1 72 ILE HB . . 5.000 4.779 3.980 5.093 0.093 7 0 "[ . 1]" 1
617 1 47 LYS H 1 48 ASP H . . 5.000 2.264 2.232 2.324 . 0 0 "[ . 1]" 1
618 1 47 LYS H 1 49 ALA H . . 5.000 3.391 3.204 3.520 . 0 0 "[ . 1]" 1
619 1 47 LYS HA 1 48 ASP HA . . 5.000 4.619 4.603 4.654 . 0 0 "[ . 1]" 1
620 1 47 LYS HA 1 49 ALA H . . 5.000 4.534 4.198 4.702 . 0 0 "[ . 1]" 1
621 1 47 LYS HA 1 64 PHE QE . . 5.000 4.879 3.988 5.449 0.449 6 0 "[ . 1]" 1
622 1 47 LYS HD3 1 48 ASP H . . 5.000 3.523 3.358 3.660 . 0 0 "[ . 1]" 1
623 1 48 ASP H 1 49 ALA H . . 5.000 2.296 2.261 2.375 . 0 0 "[ . 1]" 1
624 1 48 ASP H 1 49 ALA HA . . 5.000 4.824 4.764 4.915 . 0 0 "[ . 1]" 1
625 1 48 ASP H 1 49 ALA MB . . 5.000 3.902 3.836 3.928 . 0 0 "[ . 1]" 1
626 1 48 ASP H 1 51 ALA H . . 5.000 5.005 4.919 5.108 0.108 1 0 "[ . 1]" 1
627 1 48 ASP HA 1 49 ALA HA . . 5.000 4.996 4.984 5.005 0.005 10 0 "[ . 1]" 1
628 1 48 ASP HA 1 51 ALA H . . 5.000 3.341 3.245 3.484 . 0 0 "[ . 1]" 1
629 1 48 ASP HA 1 51 ALA HA . . 5.000 4.825 4.679 4.916 . 0 0 "[ . 1]" 1
630 1 48 ASP HA 1 51 ALA MB . . 5.000 2.178 1.914 2.329 . 0 0 "[ . 1]" 1
631 1 48 ASP HA 1 52 TRP H . . 5.000 4.545 4.477 4.647 . 0 0 "[ . 1]" 1
632 1 49 ALA H 1 51 ALA H . . 5.000 3.928 3.883 3.990 . 0 0 "[ . 1]" 1
633 1 49 ALA H 1 52 TRP H . . 5.000 4.787 4.712 4.906 . 0 0 "[ . 1]" 1
634 1 49 ALA H 1 72 ILE HB . . 5.000 5.062 4.712 5.208 0.208 3 0 "[ . 1]" 1
635 1 49 ALA HA 1 51 ALA H . . 5.000 3.538 3.473 3.590 . 0 0 "[ . 1]" 1
636 1 49 ALA HA 1 52 TRP H . . 5.000 3.325 3.264 3.465 . 0 0 "[ . 1]" 1
637 1 49 ALA HA 1 53 ILE H . . 5.000 4.997 4.703 5.124 0.124 2 0 "[ . 1]" 1
638 1 49 ALA HA 1 72 ILE HB . . 5.000 3.715 3.543 3.914 . 0 0 "[ . 1]" 1
639 1 49 ALA MB 1 50 PRO HA . . 5.000 3.899 3.802 3.930 . 0 0 "[ . 1]" 1
640 1 49 ALA MB 1 51 ALA H . . 5.000 4.065 4.051 4.091 . 0 0 "[ . 1]" 1
641 1 49 ALA MB 1 70 TYR QD . . 5.000 3.364 3.183 4.012 . 0 0 "[ . 1]" 1
642 1 49 ALA MB 1 71 GLU HA . . 5.000 3.998 3.771 4.169 . 0 0 "[ . 1]" 1
643 1 49 ALA MB 1 72 ILE H . . 5.000 3.727 3.539 3.840 . 0 0 "[ . 1]" 1
644 1 49 ALA MB 1 72 ILE HA . . 5.000 3.849 3.727 3.951 . 0 0 "[ . 1]" 1
645 1 49 ALA MB 1 72 ILE HB . . 5.000 1.628 1.497 1.772 . 0 0 "[ . 1]" 1
646 1 50 PRO HA 1 51 ALA HA . . 5.000 4.451 4.412 4.495 . 0 0 "[ . 1]" 1
647 1 50 PRO HA 1 52 TRP H . . 5.000 4.183 4.102 4.304 . 0 0 "[ . 1]" 1
648 1 50 PRO HA 1 53 ILE H . . 5.000 4.199 3.929 4.389 . 0 0 "[ . 1]" 1
649 1 50 PRO HA 1 54 GLN H . . 5.000 4.772 4.421 5.025 0.025 6 0 "[ . 1]" 1
650 1 50 PRO HA 1 72 ILE HB . . 5.000 4.802 4.284 5.243 0.243 1 0 "[ . 1]" 1
651 1 51 ALA H 1 52 TRP H . . 5.000 1.970 1.851 2.094 . 0 0 "[ . 1]" 1
652 1 51 ALA H 1 52 TRP HA . . 5.000 4.569 4.488 4.707 . 0 0 "[ . 1]" 1
653 1 51 ALA H 1 53 ILE H . . 5.000 4.224 3.948 4.414 . 0 0 "[ . 1]" 1
654 1 51 ALA H 1 54 GLN H . . 5.000 4.544 4.380 4.653 . 0 0 "[ . 1]" 1
655 1 51 ALA HA 1 52 TRP HA . . 5.000 4.888 4.834 4.917 . 0 0 "[ . 1]" 1
656 1 51 ALA HA 1 53 ILE H . . 5.000 4.747 4.398 4.965 . 0 0 "[ . 1]" 1
657 1 51 ALA HA 1 54 GLN H . . 5.000 3.161 2.962 3.269 . 0 0 "[ . 1]" 1
658 1 51 ALA HA 1 54 GLN HA . . 5.000 4.650 4.403 4.796 . 0 0 "[ . 1]" 1
659 1 51 ALA MB 1 52 TRP HA . . 5.000 3.838 3.767 3.888 . 0 0 "[ . 1]" 1
660 1 51 ALA MB 1 52 TRP HD1 . . 6.030 2.492 2.353 2.799 . 0 0 "[ . 1]" 1
661 1 52 TRP H 1 53 ILE H . . 5.000 3.007 2.825 3.175 . 0 0 "[ . 1]" 1
662 1 52 TRP H 1 54 GLN H . . 5.000 3.960 3.761 4.135 . 0 0 "[ . 1]" 1
663 1 52 TRP HA 1 53 ILE HA . . 5.000 4.825 4.802 4.854 . 0 0 "[ . 1]" 1
664 1 52 TRP HA 1 54 GLN H . . 5.000 4.297 4.074 4.491 . 0 0 "[ . 1]" 1
665 1 52 TRP HA 1 55 LYS H . . 5.000 3.692 3.482 3.856 . 0 0 "[ . 1]" 1
666 1 52 TRP HA 1 56 SER H . . 5.000 4.152 3.969 4.346 . 0 0 "[ . 1]" 1
667 1 52 TRP HB3 1 53 ILE HA . . 5.000 4.803 4.714 4.878 . 0 0 "[ . 1]" 1
668 1 52 TRP HB3 1 55 LYS HE3 . . 6.750 5.660 4.570 6.718 . 0 0 "[ . 1]" 1
669 1 52 TRP HE1 1 70 TYR QE . . 5.000 5.216 4.932 5.393 0.393 6 0 "[ . 1]" 1
670 1 52 TRP HE3 1 53 ILE HA . . 5.000 6.099 5.983 6.212 1.212 6 10 [*****+**-*] 1
671 1 52 TRP HZ2 1 70 TYR QE . . 5.000 2.590 2.411 2.805 . 0 0 "[ . 1]" 1
672 1 52 TRP HZ2 1 71 GLU HA . . 5.000 5.838 5.539 6.337 1.337 1 10 [+*******-*] 1
673 1 52 TRP HZ2 1 72 ILE H . . 5.000 6.453 6.196 6.886 1.886 1 10 [+**-******] 1
674 1 52 TRP HZ2 1 72 ILE HB . . 5.000 5.020 4.711 5.233 0.233 1 0 "[ . 1]" 1
675 1 53 ILE H 1 53 ILE MD . . 5.000 3.786 3.608 3.994 . 0 0 "[ . 1]" 1
676 1 53 ILE H 1 54 GLN H . . 5.000 2.835 2.733 2.980 . 0 0 "[ . 1]" 1
677 1 53 ILE H 1 55 LYS H . . 5.000 4.372 4.338 4.471 . 0 0 "[ . 1]" 1
678 1 53 ILE H 1 56 SER H . . 5.000 4.350 4.249 4.480 . 0 0 "[ . 1]" 1
679 1 53 ILE H 1 72 ILE MG . . 5.000 3.913 3.592 4.257 . 0 0 "[ . 1]" 1
680 1 53 ILE HA 1 54 GLN HA . . 5.000 4.899 4.831 4.950 . 0 0 "[ . 1]" 1
681 1 53 ILE HA 1 55 LYS H . . 5.000 3.873 3.775 4.016 . 0 0 "[ . 1]" 1
682 1 53 ILE HA 1 56 SER H . . 5.000 2.780 2.632 2.881 . 0 0 "[ . 1]" 1
683 1 53 ILE HA 1 56 SER HA . . 5.000 4.225 4.125 4.305 . 0 0 "[ . 1]" 1
684 1 53 ILE HA 1 57 GLY H . . 5.000 3.092 2.978 3.173 . 0 0 "[ . 1]" 1
685 1 53 ILE HA 1 58 GLN H . . 5.000 3.282 3.145 3.382 . 0 0 "[ . 1]" 1
686 1 53 ILE HB 1 54 GLN H . . 5.000 4.183 4.013 4.315 . 0 0 "[ . 1]" 1
687 1 53 ILE HB 1 56 SER H . . 5.000 5.019 4.813 5.126 0.126 5 0 "[ . 1]" 1
688 1 53 ILE HB 1 57 GLY H . . 5.000 4.678 4.451 4.836 . 0 0 "[ . 1]" 1
689 1 53 ILE HB 1 58 GLN H . . 5.000 3.973 3.711 4.197 . 0 0 "[ . 1]" 1
690 1 53 ILE HB 1 60 LEU HA . . 5.000 4.328 3.949 4.575 . 0 0 "[ . 1]" 1
691 1 53 ILE HB 1 74 MET HA . . 5.000 3.705 3.512 3.860 . 0 0 "[ . 1]" 1
692 1 53 ILE MD 1 56 SER H . . 5.000 4.568 3.734 4.918 . 0 0 "[ . 1]" 1
693 1 53 ILE MD 1 58 GLN HA . . 5.000 4.688 3.869 5.327 0.327 9 0 "[ . 1]" 1
694 1 53 ILE MD 1 59 GLU H . . 5.000 4.594 4.153 5.022 0.022 9 0 "[ . 1]" 1
695 1 53 ILE MD 1 76 LYS H . . 5.000 6.735 6.292 7.086 2.086 9 10 [***-****+*] 1
696 1 53 ILE MD 1 77 VAL H . . 5.000 5.551 4.702 6.278 1.278 9 5 "[** . *+-]" 1
697 1 53 ILE HG13 1 60 LEU H . . 5.000 4.123 3.739 4.340 . 0 0 "[ . 1]" 1
698 1 54 GLN H 1 54 GLN QE . . 5.870 3.740 1.466 4.319 . 0 0 "[ . 1]" 1
699 1 54 GLN H 1 55 LYS H . . 5.000 2.938 2.799 3.043 . 0 0 "[ . 1]" 1
700 1 54 GLN H 1 56 SER H . . 5.000 4.028 3.722 4.193 . 0 0 "[ . 1]" 1
701 1 54 GLN HA 1 55 LYS HA . . 5.000 4.593 4.592 4.595 . 0 0 "[ . 1]" 1
702 1 54 GLN HA 1 56 SER H . . 5.000 4.764 4.379 4.896 . 0 0 "[ . 1]" 1
703 1 54 GLN HA 1 57 GLY H . . 5.000 4.654 4.497 4.764 . 0 0 "[ . 1]" 1
704 1 55 LYS H 1 56 SER H . . 5.000 2.082 2.047 2.101 . 0 0 "[ . 1]" 1
705 1 55 LYS H 1 56 SER HA . . 5.000 4.621 4.571 4.645 . 0 0 "[ . 1]" 1
706 1 55 LYS H 1 57 GLY H . . 5.000 4.307 4.229 4.409 . 0 0 "[ . 1]" 1
707 1 55 LYS HA 1 56 SER HA . . 5.000 4.877 4.781 4.922 . 0 0 "[ . 1]" 1
708 1 55 LYS HA 1 57 GLY H . . 5.000 4.668 4.568 4.771 . 0 0 "[ . 1]" 1
709 1 56 SER H 1 57 GLY H . . 5.000 3.086 2.875 3.175 . 0 0 "[ . 1]" 1
710 1 56 SER H 1 58 GLN H . . 5.000 4.513 4.306 4.619 . 0 0 "[ . 1]" 1
711 1 56 SER HA 1 58 GLN H . . 5.000 4.941 4.926 4.947 . 0 0 "[ . 1]" 1
712 1 57 GLY H 1 58 GLN H . . 5.000 1.811 1.809 1.813 . 0 0 "[ . 1]" 1
713 1 57 GLY H 1 58 GLN HA . . 5.000 4.513 4.511 4.515 . 0 0 "[ . 1]" 1
714 1 57 GLY H 1 76 LYS HA . . 5.000 5.236 5.175 5.281 0.281 6 0 "[ . 1]" 1
715 1 57 GLY H 1 77 VAL H . . 5.000 4.889 4.832 4.925 . 0 0 "[ . 1]" 1
716 1 57 GLY H 1 78 LYS HA . . 5.000 5.293 4.805 6.102 1.102 6 3 "[ - *.+ 1]" 1
717 1 57 GLY QA 1 76 LYS HA . . 5.880 4.554 4.476 4.598 . 0 0 "[ . 1]" 1
718 1 58 GLN H 1 59 GLU H . . 5.000 4.532 4.506 4.549 . 0 0 "[ . 1]" 1
719 1 58 GLN H 1 59 GLU HA . . 5.000 5.251 5.188 5.292 0.292 2 0 "[ . 1]" 1
720 1 58 GLN H 1 75 LYS H . . 5.000 5.300 5.209 5.469 0.469 8 0 "[ . 1]" 1
721 1 58 GLN H 1 76 LYS HA . . 5.000 3.772 3.711 3.809 . 0 0 "[ . 1]" 1
722 1 58 GLN H 1 77 VAL H . . 5.000 3.693 3.663 3.740 . 0 0 "[ . 1]" 1
723 1 58 GLN HA 1 59 GLU HA . . 5.000 4.254 4.252 4.265 . 0 0 "[ . 1]" 1
724 1 58 GLN HA 1 75 LYS H . . 5.000 4.314 4.192 4.404 . 0 0 "[ . 1]" 1
725 1 58 GLN HA 1 75 LYS HA . . 5.000 4.656 4.584 4.729 . 0 0 "[ . 1]" 1
726 1 58 GLN HA 1 76 LYS H . . 5.000 3.652 3.582 3.714 . 0 0 "[ . 1]" 1
727 1 58 GLN HA 1 76 LYS HA . . 5.000 1.756 1.624 1.872 . 0 0 "[ . 1]" 1
728 1 58 GLN HA 1 77 VAL H . . 5.000 1.518 1.453 1.610 . 0 0 "[ . 1]" 1
729 1 58 GLN HA 1 77 VAL HA . . 5.000 4.007 3.933 4.110 . 0 0 "[ . 1]" 1
730 1 58 GLN HA 1 77 VAL HB . . 5.000 3.777 2.826 4.641 . 0 0 "[ . 1]" 1
731 1 58 GLN HA 1 78 LYS H . . 5.000 3.388 3.274 3.586 . 0 0 "[ . 1]" 1
732 1 58 GLN QE 1 77 VAL H . . 5.870 4.576 4.149 5.032 . 0 0 "[ . 1]" 1
733 1 58 GLN HE21 1 78 LYS HD3 . . 6.730 5.528 4.321 6.618 . 0 0 "[ . 1]" 1
734 1 58 GLN HE22 1 78 LYS HD3 . . 6.730 5.794 4.548 6.977 0.247 5 0 "[ . 1]" 1
735 1 59 GLU H 1 60 LEU H . . 5.000 4.626 4.592 4.651 . 0 0 "[ . 1]" 1
736 1 59 GLU H 1 74 MET HA . . 5.000 4.425 4.279 4.552 . 0 0 "[ . 1]" 1
737 1 59 GLU H 1 75 LYS H . . 5.000 2.372 2.192 2.484 . 0 0 "[ . 1]" 1
738 1 59 GLU H 1 75 LYS HA . . 5.000 3.115 2.941 3.225 . 0 0 "[ . 1]" 1
739 1 59 GLU H 1 76 LYS H . . 5.000 3.457 3.357 3.561 . 0 0 "[ . 1]" 1
740 1 59 GLU H 1 76 LYS HA . . 5.000 3.476 3.383 3.576 . 0 0 "[ . 1]" 1
741 1 59 GLU H 1 77 VAL H . . 5.000 3.630 3.547 3.765 . 0 0 "[ . 1]" 1
742 1 59 GLU H 1 77 VAL HB . . 5.000 4.235 3.181 5.093 0.093 6 0 "[ . 1]" 1
743 1 59 GLU HA 1 60 LEU HA . . 5.000 4.341 4.329 4.354 . 0 0 "[ . 1]" 1
744 1 59 GLU HA 1 75 LYS H . . 5.000 3.396 3.283 3.498 . 0 0 "[ . 1]" 1
745 1 59 GLU HG3 1 75 LYS HE3 . . 6.750 2.792 1.736 4.576 . 0 0 "[ . 1]" 1
746 1 60 LEU H 1 60 LEU MD1 . . 5.000 4.148 4.065 4.193 . 0 0 "[ . 1]" 1
747 1 60 LEU H 1 61 VAL H . . 5.000 4.456 4.402 4.526 . 0 0 "[ . 1]" 1
748 1 60 LEU H 1 74 MET HA . . 5.000 4.896 4.719 4.987 . 0 0 "[ . 1]" 1
749 1 60 LEU H 1 75 LYS H . . 5.000 4.138 4.069 4.194 . 0 0 "[ . 1]" 1
750 1 60 LEU HA 1 61 VAL HA . . 5.000 4.373 4.364 4.382 . 0 0 "[ . 1]" 1
751 1 60 LEU HA 1 61 VAL HB . . 5.000 5.388 5.151 5.583 0.583 7 2 "[ - + 1]" 1
752 1 60 LEU HA 1 74 MET HA . . 5.000 3.287 3.171 3.356 . 0 0 "[ . 1]" 1
753 1 60 LEU HA 1 75 LYS H . . 5.000 4.020 3.947 4.106 . 0 0 "[ . 1]" 1
754 1 61 VAL H 1 62 GLY H . . 5.000 4.485 4.452 4.586 . 0 0 "[ . 1]" 1
755 1 61 VAL H 1 73 VAL H . . 5.000 4.088 3.979 4.157 . 0 0 "[ . 1]" 1
756 1 61 VAL H 1 74 MET HA . . 5.000 2.887 2.622 3.146 . 0 0 "[ . 1]" 1
757 1 61 VAL H 1 75 LYS H . . 5.000 4.311 4.053 4.538 . 0 0 "[ . 1]" 1
758 1 61 VAL HB 1 62 GLY H . . 5.000 2.426 2.131 3.323 . 0 0 "[ . 1]" 1
759 1 61 VAL HB 1 63 VAL H . . 5.000 4.646 4.428 4.802 . 0 0 "[ . 1]" 1
760 1 61 VAL HB 1 72 ILE HA . . 5.000 4.950 4.505 5.486 0.486 7 0 "[ . 1]" 1
761 1 61 VAL HB 1 73 VAL H . . 5.000 2.950 2.309 3.539 . 0 0 "[ . 1]" 1
762 1 61 VAL HB 1 73 VAL HA . . 5.000 4.455 3.672 4.949 . 0 0 "[ . 1]" 1
763 1 61 VAL HB 1 73 VAL HB . . 5.000 2.625 1.937 3.237 . 0 0 "[ . 1]" 1
764 1 61 VAL HB 1 74 MET H . . 5.000 4.929 4.150 5.467 0.467 7 0 "[ . 1]" 1
765 1 61 VAL HB 1 74 MET HA . . 5.000 4.583 4.041 5.094 0.094 5 0 "[ . 1]" 1
766 1 61 VAL MG1 1 62 GLY H . . 5.000 2.771 2.310 3.173 . 0 0 "[ . 1]" 1
767 1 61 VAL MG1 1 73 VAL H . . 5.000 4.203 3.788 4.487 . 0 0 "[ . 1]" 1
768 1 61 VAL MG2 1 75 LYS HA . . 5.000 4.553 3.874 5.198 0.198 5 0 "[ . 1]" 1
769 1 62 GLY H 1 63 VAL H . . 5.000 4.064 3.927 4.209 . 0 0 "[ . 1]" 1
770 1 62 GLY H 1 73 VAL H . . 5.000 4.735 4.388 4.918 . 0 0 "[ . 1]" 1
771 1 62 GLY QA 1 64 PHE H . . 5.880 4.898 4.716 4.985 . 0 0 "[ . 1]" 1
772 1 62 GLY QA 1 64 PHE QE . . 5.880 3.641 3.182 4.326 . 0 0 "[ . 1]" 1
773 1 63 VAL H 1 64 PHE H . . 5.000 3.651 3.474 3.714 . 0 0 "[ . 1]" 1
774 1 63 VAL H 1 64 PHE HA . . 5.000 4.573 4.528 4.594 . 0 0 "[ . 1]" 1
775 1 63 VAL H 1 64 PHE QD . . 5.000 3.393 2.824 3.700 . 0 0 "[ . 1]" 1
776 1 63 VAL H 1 64 PHE QE . . 5.000 3.195 2.383 3.763 . 0 0 "[ . 1]" 1
777 1 63 VAL H 1 64 PHE HZ . . 5.000 3.822 3.321 4.512 . 0 0 "[ . 1]" 1
778 1 63 VAL H 1 72 ILE HA . . 5.000 3.777 3.585 3.974 . 0 0 "[ . 1]" 1
779 1 63 VAL H 1 73 VAL H . . 5.000 4.224 3.933 4.480 . 0 0 "[ . 1]" 1
780 1 63 VAL HA 1 64 PHE HA . . 5.000 4.348 4.342 4.355 . 0 0 "[ . 1]" 1
781 1 63 VAL HA 1 64 PHE QD . . 5.000 4.427 4.018 4.639 . 0 0 "[ . 1]" 1
782 1 63 VAL HB 1 64 PHE H . . 5.000 4.200 3.804 4.587 . 0 0 "[ . 1]" 1
783 1 63 VAL HB 1 64 PHE HA . . 5.000 4.805 4.497 5.088 0.088 1 0 "[ . 1]" 1
784 1 63 VAL HB 1 72 ILE H . . 5.000 5.633 4.826 6.585 1.585 4 5 "[ **+* -]" 1
785 1 63 VAL HB 1 72 ILE HA . . 5.000 3.570 2.689 4.632 . 0 0 "[ . 1]" 1
786 1 64 PHE H 1 65 ASP H . . 5.000 4.233 4.171 4.287 . 0 0 "[ . 1]" 1
787 1 64 PHE H 1 65 ASP HA . . 5.000 4.878 4.871 4.895 . 0 0 "[ . 1]" 1
788 1 64 PHE HA 1 65 ASP HA . . 5.000 4.368 4.353 4.378 . 0 0 "[ . 1]" 1
789 1 64 PHE HA 1 70 TYR HA . . 5.000 4.150 3.931 4.284 . 0 0 "[ . 1]" 1
790 1 64 PHE HA 1 71 GLU H . . 5.000 3.274 3.045 3.492 . 0 0 "[ . 1]" 1
791 1 64 PHE HB3 1 65 ASP H . . 5.000 3.453 3.363 3.545 . 0 0 "[ . 1]" 1
792 1 64 PHE QE 1 72 ILE H . . 5.000 5.204 5.102 5.265 0.265 2 0 "[ . 1]" 1
793 1 64 PHE HZ 1 72 ILE MD . . 5.000 3.390 1.963 5.088 0.088 6 0 "[ . 1]" 1
794 1 65 ASP H 1 66 ARG H . . 5.000 4.144 4.068 4.204 . 0 0 "[ . 1]" 1
795 1 65 ASP H 1 66 ARG HA . . 5.000 4.379 4.359 4.396 . 0 0 "[ . 1]" 1
796 1 65 ASP H 1 66 ARG HD3 . . 5.000 5.034 4.608 5.657 0.657 6 2 "[ - .+ 1]" 1
797 1 65 ASP H 1 70 TYR HA . . 5.000 2.959 2.815 3.080 . 0 0 "[ . 1]" 1
798 1 65 ASP H 1 70 TYR QD . . 5.000 4.709 2.409 5.207 0.207 8 0 "[ . 1]" 1
799 1 65 ASP H 1 71 GLU H . . 5.000 3.509 3.257 3.656 . 0 0 "[ . 1]" 1
800 1 65 ASP HA 1 66 ARG HA . . 5.000 4.383 4.381 4.385 . 0 0 "[ . 1]" 1
801 1 65 ASP HA 1 67 ASN H . . 5.000 4.852 4.802 4.894 . 0 0 "[ . 1]" 1
802 1 66 ARG H 1 67 ASN H . . 5.000 3.634 3.632 3.637 . 0 0 "[ . 1]" 1
803 1 66 ARG H 1 67 ASN QD . . 5.870 6.333 5.606 6.954 1.084 6 3 "[ - *+ 1]" 1
804 1 66 ARG HA 1 67 ASN HA . . 5.000 4.410 4.402 4.422 . 0 0 "[ . 1]" 1
805 1 66 ARG HA 1 68 GLY H . . 5.000 3.353 3.288 3.442 . 0 0 "[ . 1]" 1
806 1 66 ARG HA 1 69 TYR H . . 5.000 4.306 4.188 4.584 . 0 0 "[ . 1]" 1
807 1 66 ARG HA 1 70 TYR HA . . 5.000 4.268 4.136 4.367 . 0 0 "[ . 1]" 1
808 1 67 ASN H 1 68 GLY H . . 5.000 1.815 1.775 1.870 . 0 0 "[ . 1]" 1
809 1 67 ASN H 1 69 TYR H . . 5.000 3.204 3.085 3.314 . 0 0 "[ . 1]" 1
810 1 67 ASN H 1 70 TYR HA . . 5.000 5.007 4.942 5.055 0.055 2 0 "[ . 1]" 1
811 1 67 ASN HB3 1 68 GLY H . . 5.000 3.100 2.971 3.175 . 0 0 "[ . 1]" 1
812 1 67 ASN HB3 1 69 TYR H . . 5.000 4.166 4.025 4.275 . 0 0 "[ . 1]" 1
813 1 67 ASN QD 1 69 TYR QE . . 5.870 7.346 4.696 9.833 3.963 7 7 "[** -. +***]" 1
814 1 67 ASN QD 1 70 TYR HA . . 5.870 8.655 7.361 9.152 3.282 8 10 [****-**+**] 1
815 1 68 GLY H 1 69 TYR H . . 5.000 1.957 1.886 2.026 . 0 0 "[ . 1]" 1
816 1 68 GLY H 1 69 TYR HA . . 5.000 3.989 3.970 4.039 . 0 0 "[ . 1]" 1
817 1 68 GLY H 1 69 TYR QD . . 5.000 3.917 3.601 5.339 0.339 7 0 "[ . 1]" 1
818 1 68 GLY H 1 70 TYR H . . 5.000 4.932 4.915 5.003 0.003 10 0 "[ . 1]" 1
819 1 68 GLY H 1 70 TYR HA . . 5.000 5.275 5.210 5.309 0.309 9 0 "[ . 1]" 1
820 1 69 TYR H 1 70 TYR H . . 5.000 4.002 3.975 4.078 . 0 0 "[ . 1]" 1
821 1 69 TYR H 1 70 TYR HA . . 5.000 4.381 4.357 4.450 . 0 0 "[ . 1]" 1
822 1 69 TYR HA 1 70 TYR HA . . 5.000 4.378 4.370 4.379 . 0 0 "[ . 1]" 1
823 1 69 TYR HB3 1 70 TYR H . . 5.000 4.383 3.625 4.592 . 0 0 "[ . 1]" 1
824 1 69 TYR QD 1 70 TYR H . . 5.000 4.408 3.381 4.603 . 0 0 "[ . 1]" 1
825 1 69 TYR QD 1 71 GLU H . . 5.000 6.049 5.614 7.428 2.428 8 10 [**-****+**] 1
826 1 70 TYR H 1 71 GLU H . . 5.000 4.621 4.565 4.640 . 0 0 "[ . 1]" 1
827 1 70 TYR H 1 71 GLU HA . . 5.000 5.352 5.332 5.403 0.403 10 0 "[ . 1]" 1
828 1 70 TYR HA 1 71 GLU HA . . 5.000 4.451 4.413 4.599 . 0 0 "[ . 1]" 1
829 1 70 TYR QD 1 71 GLU H . . 5.000 2.994 1.624 3.392 . 0 0 "[ . 1]" 1
830 1 70 TYR QD 1 71 GLU HA . . 5.000 3.001 2.699 3.737 . 0 0 "[ . 1]" 1
831 1 71 GLU H 1 72 ILE H . . 5.000 4.384 4.315 4.402 . 0 0 "[ . 1]" 1
832 1 71 GLU H 1 72 ILE HA . . 5.000 4.639 4.591 4.668 . 0 0 "[ . 1]" 1
833 1 71 GLU H 1 72 ILE HB . . 5.000 5.444 4.663 5.821 0.821 7 4 "[ **.-+ 1]" 1
834 1 71 GLU H 1 72 ILE MD . . 5.000 4.410 2.775 6.480 1.480 1 2 "[+ . -1]" 1
835 1 71 GLU HA 1 72 ILE HA . . 5.000 4.514 4.499 4.532 . 0 0 "[ . 1]" 1
836 1 71 GLU HA 1 72 ILE HB . . 5.000 4.104 3.939 4.317 . 0 0 "[ . 1]" 1
837 1 72 ILE H 1 73 VAL H . . 5.000 4.391 4.358 4.399 . 0 0 "[ . 1]" 1
838 1 72 ILE H 1 73 VAL HA . . 5.000 4.601 4.578 4.620 . 0 0 "[ . 1]" 1
839 1 72 ILE HA 1 73 VAL HA . . 5.000 4.392 4.362 4.420 . 0 0 "[ . 1]" 1
840 1 72 ILE HB 1 73 VAL H . . 5.000 4.081 3.895 4.159 . 0 0 "[ . 1]" 1
841 1 72 ILE MG 1 73 VAL H . . 5.000 2.161 1.936 3.027 . 0 0 "[ . 1]" 1
842 1 73 VAL H 1 74 MET H . . 5.000 4.484 4.404 4.537 . 0 0 "[ . 1]" 1
843 1 73 VAL HA 1 74 MET HA . . 5.000 4.435 4.386 4.487 . 0 0 "[ . 1]" 1
844 1 73 VAL HB 1 74 MET H . . 5.000 2.968 2.578 3.241 . 0 0 "[ . 1]" 1
845 1 73 VAL HB 1 74 MET HA . . 5.000 4.043 3.966 4.140 . 0 0 "[ . 1]" 1
846 1 73 VAL QG 1 74 MET H . . 5.000 2.862 2.604 3.083 . 0 0 "[ . 1]" 1
847 1 73 VAL QG 1 75 LYS HA . . 5.000 5.576 5.383 5.754 0.754 9 8 "[****. -*+*]" 1
848 1 74 MET H 1 75 LYS H . . 5.000 4.241 4.172 4.355 . 0 0 "[ . 1]" 1
849 1 74 MET H 1 75 LYS HA . . 5.000 4.535 4.464 4.630 . 0 0 "[ . 1]" 1
850 1 74 MET HA 1 75 LYS HA . . 5.000 4.371 4.366 4.375 . 0 0 "[ . 1]" 1
851 1 75 LYS H 1 76 LYS H . . 5.000 4.198 4.172 4.267 . 0 0 "[ . 1]" 1
852 1 75 LYS H 1 76 LYS HA . . 5.000 5.023 4.967 5.168 0.168 8 0 "[ . 1]" 1
853 1 75 LYS H 1 77 VAL QG . . 5.000 3.988 3.715 4.361 . 0 0 "[ . 1]" 1
854 1 75 LYS HA 1 76 LYS HA . . 5.000 4.431 4.430 4.432 . 0 0 "[ . 1]" 1
855 1 76 LYS H 1 77 VAL H . . 5.000 4.466 4.428 4.498 . 0 0 "[ . 1]" 1
856 1 76 LYS HA 1 77 VAL HA . . 5.000 4.365 4.354 4.372 . 0 0 "[ . 1]" 1
857 1 76 LYS HA 1 78 LYS H . . 5.000 3.345 3.229 3.508 . 0 0 "[ . 1]" 1
858 1 77 VAL H 1 78 LYS H . . 5.000 1.964 1.847 2.160 . 0 0 "[ . 1]" 1
859 1 77 VAL H 1 78 LYS HA . . 5.000 3.936 3.810 4.209 . 0 0 "[ . 1]" 1
860 1 77 VAL HA 1 78 LYS HA . . 5.000 4.870 4.647 4.945 . 0 0 "[ . 1]" 1
861 1 77 VAL HB 1 78 LYS H . . 5.000 4.184 3.802 4.546 . 0 0 "[ . 1]" 1
862 1 77 VAL HB 1 78 LYS HA . . 5.000 4.924 4.633 5.315 0.315 8 0 "[ . 1]" 1
863 1 77 VAL QG 1 78 LYS H . . 5.000 3.517 3.135 3.757 . 0 0 "[ . 1]" 1
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