NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
639256 |
6qbz   |
27085 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6qbz
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 913
_Distance_constraint_stats_list.Viol_count 286
_Distance_constraint_stats_list.Viol_total 952.611
_Distance_constraint_stats_list.Viol_max 3.899
_Distance_constraint_stats_list.Viol_rms 0.0958
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.3331
_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 0.273 0.273 2 0 "[ . 1]"
1 2 ILE 0.843 0.416 3 0 "[ . 1]"
1 3 ARG 0.000 0.000 . 0 "[ . 1]"
1 4 PHE 3.083 1.587 9 2 "[ - . +1]"
1 5 GLU 0.000 0.000 . 0 "[ . 1]"
1 6 ILE 0.000 0.000 . 0 "[ . 1]"
1 7 HIS 0.000 0.000 . 0 "[ . 1]"
1 8 GLY 0.000 0.000 . 0 "[ . 1]"
1 9 ASP 0.000 0.000 . 0 "[ . 1]"
1 10 ASN 0.258 0.134 4 0 "[ . 1]"
1 11 LEU 0.642 0.376 4 0 "[ . 1]"
1 12 THR 1.133 0.376 4 0 "[ . 1]"
1 13 ILE 8.492 1.616 2 5 "[*+ . *-*]"
1 14 THR 6.046 1.616 2 5 "[*+ . *-*]"
1 15 ASP 0.000 0.000 . 0 "[ . 1]"
1 16 ALA 0.000 0.000 . 0 "[ . 1]"
1 17 ILE 6.537 0.831 9 10 [*******-+*]
1 18 ARG 0.000 0.000 . 0 "[ . 1]"
1 19 ASN 0.095 0.095 6 0 "[ . 1]"
1 20 TYR 3.526 0.441 10 0 "[ . 1]"
1 21 ILE 6.598 0.831 9 10 [*******-+*]
1 22 GLU 3.431 0.441 10 0 "[ . 1]"
1 23 GLU 0.000 0.000 . 0 "[ . 1]"
1 24 LYS 0.792 0.234 4 0 "[ . 1]"
1 25 ILE 3.747 1.587 9 2 "[ - . +1]"
1 26 GLY 0.000 0.000 . 0 "[ . 1]"
1 27 LYS 0.346 0.190 2 0 "[ . 1]"
1 28 LEU 2.122 0.816 5 2 "[ +- 1]"
1 29 GLU 0.000 0.000 . 0 "[ . 1]"
1 30 ARG 0.000 0.000 . 0 "[ . 1]"
1 31 TYR 4.983 0.615 2 8 "[*+****- *]"
1 32 PHE 5.311 0.615 2 8 "[*+****- *]"
1 33 ASN 0.000 0.000 . 0 "[ . 1]"
1 34 ASP 0.000 0.000 . 0 "[ . 1]"
1 35 VAL 1.476 0.691 9 1 "[ . +1]"
1 36 PRO 0.000 0.000 . 0 "[ . 1]"
1 37 ASN 0.115 0.115 6 0 "[ . 1]"
1 38 ALA 6.528 0.596 6 3 "[* .+ - 1]"
1 39 VAL 6.431 0.596 6 3 "[* .+ - 1]"
1 40 ALA 0.004 0.004 7 0 "[ . 1]"
1 41 HIS 0.000 0.000 . 0 "[ . 1]"
1 42 VAL 0.000 0.000 . 0 "[ . 1]"
1 43 LYS 0.066 0.066 9 0 "[ . 1]"
1 44 VAL 0.066 0.066 9 0 "[ . 1]"
1 45 LYS 0.000 0.000 . 0 "[ . 1]"
1 46 THR 0.000 0.000 . 0 "[ . 1]"
1 49 ASN 1.272 0.619 6 2 "[ -+ 1]"
1 50 SER 0.000 0.000 . 0 "[ . 1]"
1 51 ALA 1.272 0.619 6 2 "[ -+ 1]"
1 52 THR 0.000 0.000 . 0 "[ . 1]"
1 53 LYS 0.000 0.000 . 0 "[ . 1]"
1 54 ILE 5.001 1.242 10 4 "[* * - +]"
1 55 GLU 2.360 0.596 10 1 "[ . +]"
1 56 VAL 3.162 0.596 10 1 "[ . +]"
1 57 THR 1.545 0.168 3 0 "[ . 1]"
1 58 ILE 2.801 0.495 10 0 "[ . 1]"
1 59 PRO 0.049 0.049 2 0 "[ . 1]"
1 60 LEU 7.096 0.844 3 7 "[-*+*.** *1]"
1 61 LYS 0.115 0.115 6 0 "[ . 1]"
1 62 ASN 0.022 0.020 2 0 "[ . 1]"
1 63 VAL 5.652 0.844 3 6 "[-*+*.** 1]"
1 64 THR 0.000 0.000 . 0 "[ . 1]"
1 65 LEU 0.833 0.260 6 0 "[ . 1]"
1 66 ARG 0.166 0.162 9 0 "[ . 1]"
1 67 ALA 0.000 0.000 . 0 "[ . 1]"
1 68 GLU 0.013 0.008 2 0 "[ . 1]"
1 69 GLU 0.000 0.000 . 0 "[ . 1]"
1 70 ARG 0.000 0.000 . 0 "[ . 1]"
1 71 ASN 6.008 3.899 10 1 "[ . +]"
1 72 ASP 0.074 0.074 5 0 "[ . 1]"
1 73 ASP 2.183 2.109 10 1 "[ . +]"
1 74 LEU 0.000 0.000 . 0 "[ . 1]"
1 75 TYR 0.589 0.396 8 0 "[ . 1]"
1 76 ALA 0.000 0.000 . 0 "[ . 1]"
1 77 GLY 7.857 3.899 10 1 "[ . +]"
1 78 ILE 5.001 1.242 10 4 "[* * - +]"
1 79 ASP 3.971 0.525 10 1 "[ . +]"
1 80 LEU 1.542 0.221 2 0 "[ . 1]"
1 81 ILE 3.328 0.495 10 0 "[ . 1]"
1 82 ASN 0.014 0.014 2 0 "[ . 1]"
1 83 ASN 0.000 0.000 . 0 "[ . 1]"
1 84 LYS 0.000 0.000 . 0 "[ . 1]"
1 85 LEU 0.015 0.015 3 0 "[ . 1]"
1 86 GLU 1.862 0.816 5 2 "[ +- 1]"
1 87 ARG 1.632 0.377 4 0 "[ . 1]"
1 88 GLN 5.788 0.509 2 1 "[ + . 1]"
1 89 VAL 0.819 0.260 6 0 "[ . 1]"
1 90 ARG 4.264 0.509 2 1 "[ + . 1]"
1 91 LYS 0.107 0.063 6 0 "[ . 1]"
1 92 TYR 0.147 0.094 7 0 "[ . 1]"
1 93 LYS 0.147 0.094 7 0 "[ . 1]"
1 94 THR 0.000 0.000 . 0 "[ . 1]"
1 95 ARG 0.710 0.604 7 1 "[ . + 1]"
1 96 ILE 0.000 0.000 . 0 "[ . 1]"
1 97 ASN 2.500 1.157 7 1 "[ . + 1]"
1 98 ARG 0.674 0.674 7 1 "[ . + 1]"
1 99 LYS 2.993 1.653 7 1 "[ . + 1]"
1 100 SER 2.324 1.157 7 1 "[ . + 1]"
1 101 ARG 0.000 0.000 . 0 "[ . 1]"
1 102 ASP 2.579 1.653 7 1 "[ . + 1]"
1 103 ARG 11.262 2.746 7 8 "[** *.*+**-]"
1 104 GLY 0.296 0.201 2 0 "[ . 1]"
1 105 ASP 11.262 2.746 7 8 "[** *.*+**-]"
1 106 GLN 0.000 0.000 . 0 "[ . 1]"
1 107 GLU 0.000 0.000 . 0 "[ . 1]"
1 108 VAL 0.164 0.134 6 0 "[ . 1]"
1 109 PHE 0.164 0.134 6 0 "[ . 1]"
1 110 VAL 0.000 0.000 . 0 "[ . 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 1 MET HG2 3.500 . 5.200 3.216 2.538 3.700 . 0 0 "[ . 1]" 1
2 1 1 MET HA 1 2 ILE H 3.100 . 4.600 2.439 2.151 2.927 . 0 0 "[ . 1]" 1
3 1 1 MET HB3 1 2 ILE H 4.000 . 6.000 2.879 1.727 4.200 0.273 2 0 "[ . 1]" 1
4 1 2 ILE H 1 2 ILE HB 3.300 . 4.900 3.342 2.595 3.833 . 0 0 "[ . 1]" 1
5 1 2 ILE H 1 2 ILE MD 4.200 2.100 6.000 3.727 1.684 4.539 0.416 3 0 "[ . 1]" 1
6 1 2 ILE H 1 3 ARG QG 3.300 . 5.000 4.356 3.698 4.842 . 0 0 "[ . 1]" 1
7 1 2 ILE HA 1 2 ILE MD 3.000 . 4.500 3.994 3.595 4.199 . 0 0 "[ . 1]" 1
8 1 2 ILE HA 1 2 ILE MG 2.800 . 4.200 2.576 2.254 3.213 . 0 0 "[ . 1]" 1
9 1 2 ILE HA 1 3 ARG H 2.800 . 4.200 2.207 2.149 2.338 . 0 0 "[ . 1]" 1
10 1 2 ILE HA 1 38 ALA H 3.300 . 4.900 1.997 1.961 2.010 . 0 0 "[ . 1]" 1
11 1 2 ILE HA 1 38 ALA MB 3.400 . 5.100 2.898 2.628 3.317 . 0 0 "[ . 1]" 1
12 1 2 ILE HB 1 2 ILE MD 2.400 . 3.600 2.521 2.422 3.212 . 0 0 "[ . 1]" 1
13 1 2 ILE HB 1 3 ARG H 3.500 . 5.300 3.768 2.687 4.294 . 0 0 "[ . 1]" 1
14 1 2 ILE HB 1 38 ALA H 3.900 . 5.900 3.837 3.328 4.740 . 0 0 "[ . 1]" 1
15 1 2 ILE HB 1 38 ALA MB 4.000 . 6.000 2.697 2.001 3.949 . 0 0 "[ . 1]" 1
16 1 2 ILE MD 1 2 ILE MG 2.200 . 3.300 1.922 1.836 2.050 . 0 0 "[ . 1]" 1
17 1 2 ILE MD 1 3 ARG H 4.200 2.100 6.000 4.919 4.471 5.545 . 0 0 "[ . 1]" 1
18 1 2 ILE MD 1 38 ALA MB 2.800 . 4.200 3.406 2.315 4.274 0.074 3 0 "[ . 1]" 1
19 1 2 ILE MG 1 3 ARG H 3.200 . 4.800 3.964 2.916 4.226 . 0 0 "[ . 1]" 1
20 1 2 ILE MG 1 25 ILE MG 3.400 . 5.100 3.795 2.136 5.109 0.009 4 0 "[ . 1]" 1
21 1 2 ILE MG 1 38 ALA MB 3.400 . 4.800 2.465 1.776 4.296 . 0 0 "[ . 1]" 1
22 1 3 ARG H 1 3 ARG HB2 3.500 . 5.200 2.995 2.400 3.556 . 0 0 "[ . 1]" 1
23 1 3 ARG H 1 3 ARG HB3 3.600 . 5.400 3.484 3.399 3.566 . 0 0 "[ . 1]" 1
24 1 3 ARG H 1 3 ARG QG 3.600 . 5.400 2.633 2.055 3.432 . 0 0 "[ . 1]" 1
25 1 3 ARG H 1 39 VAL HA 3.200 . 4.800 2.741 2.610 2.867 . 0 0 "[ . 1]" 1
26 1 3 ARG H 1 39 VAL MG1 4.000 . 6.000 4.756 4.489 4.892 . 0 0 "[ . 1]" 1
27 1 3 ARG HA 1 4 PHE H 2.700 . 4.100 2.283 2.193 2.380 . 0 0 "[ . 1]" 1
28 1 3 ARG HA 1 4 PHE QD 3.600 . 5.400 3.389 3.158 3.727 . 0 0 "[ . 1]" 1
29 1 3 ARG HB2 1 4 PHE H 3.700 . 5.500 3.283 2.822 3.707 . 0 0 "[ . 1]" 1
30 1 3 ARG HB3 1 4 PHE H 3.700 . 5.500 3.030 2.310 3.683 . 0 0 "[ . 1]" 1
31 1 4 PHE H 1 4 PHE HB2 3.800 . 5.500 3.545 2.706 3.851 . 0 0 "[ . 1]" 1
32 1 4 PHE H 1 4 PHE HB3 3.200 . 4.800 3.202 3.030 3.874 . 0 0 "[ . 1]" 1
33 1 4 PHE H 1 4 PHE QD 3.300 . 4.900 2.537 2.331 3.130 . 0 0 "[ . 1]" 1
34 1 4 PHE HA 1 4 PHE QD 3.500 . 5.200 3.577 2.836 3.748 . 0 0 "[ . 1]" 1
35 1 4 PHE HA 1 5 GLU H 2.800 . 4.200 2.147 2.120 2.196 . 0 0 "[ . 1]" 1
36 1 4 PHE HA 1 6 ILE MD 4.100 . 6.000 4.635 4.270 4.679 . 0 0 "[ . 1]" 1
37 1 4 PHE HA 1 39 VAL MG1 3.000 . 4.500 3.596 3.303 3.722 . 0 0 "[ . 1]" 1
38 1 4 PHE HA 1 39 VAL MG2 4.200 2.100 6.000 4.265 3.882 4.431 . 0 0 "[ . 1]" 1
39 1 4 PHE HA 1 40 ALA H 3.500 . 5.300 1.958 1.894 2.004 . 0 0 "[ . 1]" 1
40 1 4 PHE HB2 1 5 GLU H 4.600 2.300 6.000 3.542 3.089 4.271 . 0 0 "[ . 1]" 1
41 1 4 PHE HB2 1 6 ILE MD 3.300 . 4.900 2.931 2.517 3.968 . 0 0 "[ . 1]" 1
42 1 4 PHE QD 1 22 GLU HA 3.300 . 5.000 3.869 2.903 4.226 . 0 0 "[ . 1]" 1
43 1 4 PHE QD 1 25 ILE MG 2.800 . 4.200 4.061 2.158 5.787 1.587 9 2 "[ - . +1]" 1
44 1 5 GLU H 1 5 GLU HB2 3.500 . 5.200 2.668 2.555 2.835 . 0 0 "[ . 1]" 1
45 1 5 GLU H 1 5 GLU HB3 3.800 . 5.700 3.762 3.716 3.792 . 0 0 "[ . 1]" 1
46 1 5 GLU H 1 6 ILE H 4.200 2.100 6.000 3.670 3.520 3.870 . 0 0 "[ . 1]" 1
47 1 5 GLU H 1 39 VAL MG1 4.300 2.100 6.000 3.078 2.865 3.462 . 0 0 "[ . 1]" 1
48 1 5 GLU H 1 39 VAL MG2 5.800 2.900 6.000 4.417 4.212 4.810 . 0 0 "[ . 1]" 1
49 1 5 GLU H 1 40 ALA H 4.700 2.400 6.000 2.690 2.528 2.875 . 0 0 "[ . 1]" 1
50 1 5 GLU H 1 40 ALA MB 4.600 2.300 5.800 3.253 3.139 3.465 . 0 0 "[ . 1]" 1
51 1 5 GLU H 1 41 HIS HA 3.700 . 5.600 3.087 2.803 3.272 . 0 0 "[ . 1]" 1
52 1 5 GLU HA 1 5 GLU HG2 3.300 . 4.900 2.899 2.520 3.311 . 0 0 "[ . 1]" 1
53 1 5 GLU HA 1 6 ILE H 2.700 . 4.000 2.169 2.129 2.222 . 0 0 "[ . 1]" 1
54 1 5 GLU HA 1 6 ILE HB 3.800 . 5.700 4.535 4.522 4.546 . 0 0 "[ . 1]" 1
55 1 5 GLU HB2 1 6 ILE H 3.100 . 4.600 4.387 4.231 4.471 . 0 0 "[ . 1]" 1
56 1 5 GLU HB2 1 41 HIS HA 3.000 . 4.500 2.566 2.128 2.905 . 0 0 "[ . 1]" 1
57 1 5 GLU HB3 1 6 ILE H 4.200 2.100 6.000 4.018 3.844 4.094 . 0 0 "[ . 1]" 1
58 1 5 GLU HB3 1 41 HIS HA 3.200 . 4.800 3.795 3.486 3.954 . 0 0 "[ . 1]" 1
59 1 5 GLU HG2 1 39 VAL MG2 3.400 . 5.100 3.718 2.706 4.717 . 0 0 "[ . 1]" 1
60 1 6 ILE H 1 6 ILE HB 3.100 . 4.600 2.378 2.332 2.420 . 0 0 "[ . 1]" 1
61 1 6 ILE H 1 6 ILE MD 3.600 . 5.400 3.408 2.068 3.573 . 0 0 "[ . 1]" 1
62 1 6 ILE H 1 6 ILE MG 4.000 . 6.000 3.755 3.734 3.774 . 0 0 "[ . 1]" 1
63 1 6 ILE HA 1 6 ILE MD 3.200 . 4.800 3.808 3.265 3.890 . 0 0 "[ . 1]" 1
64 1 6 ILE HA 1 6 ILE MG 2.700 . 4.000 2.483 2.441 2.528 . 0 0 "[ . 1]" 1
65 1 6 ILE HA 1 7 HIS H 2.700 . 4.000 2.112 2.080 2.155 . 0 0 "[ . 1]" 1
66 1 6 ILE HA 1 7 HIS HB2 4.000 . 6.000 4.385 4.333 4.435 . 0 0 "[ . 1]" 1
67 1 6 ILE HA 1 42 VAL H 3.800 . 5.500 2.015 2.005 2.029 . 0 0 "[ . 1]" 1
68 1 6 ILE HA 1 42 VAL HB 3.400 . 4.800 2.963 2.901 3.061 . 0 0 "[ . 1]" 1
69 1 6 ILE HA 1 42 VAL MG1 3.900 . 5.100 3.424 3.240 3.589 . 0 0 "[ . 1]" 1
70 1 6 ILE HB 1 6 ILE MD 3.100 . 4.300 2.332 2.272 2.364 . 0 0 "[ . 1]" 1
71 1 6 ILE HB 1 6 ILE MG 2.400 . 3.600 2.157 2.142 2.165 . 0 0 "[ . 1]" 1
72 1 6 ILE HB 1 7 HIS H 4.100 . 6.000 4.067 3.937 4.188 . 0 0 "[ . 1]" 1
73 1 6 ILE MD 1 18 ARG HA 3.000 . 4.100 3.144 2.807 3.324 . 0 0 "[ . 1]" 1
74 1 6 ILE MG 1 7 HIS H 3.300 . 4.900 2.542 2.355 2.733 . 0 0 "[ . 1]" 1
75 1 6 ILE MG 1 8 GLY HA2 3.100 . 4.700 3.350 3.331 3.357 . 0 0 "[ . 1]" 1
76 1 6 ILE MG 1 42 VAL H 4.500 2.200 6.000 3.661 3.500 3.902 . 0 0 "[ . 1]" 1
77 1 6 ILE MG 1 42 VAL HB 3.300 . 4.300 2.995 2.788 3.530 . 0 0 "[ . 1]" 1
78 1 7 HIS H 1 7 HIS HB2 3.600 . 5.300 2.461 2.379 2.547 . 0 0 "[ . 1]" 1
79 1 7 HIS H 1 7 HIS HB3 4.000 . 5.700 3.619 3.578 3.650 . 0 0 "[ . 1]" 1
80 1 7 HIS H 1 42 VAL H 4.700 2.400 6.000 3.329 3.134 3.416 . 0 0 "[ . 1]" 1
81 1 7 HIS H 1 42 VAL HB 4.200 2.100 6.000 4.322 4.315 4.336 . 0 0 "[ . 1]" 1
82 1 7 HIS H 1 43 LYS HA 3.800 . 5.400 2.869 2.787 2.966 . 0 0 "[ . 1]" 1
83 1 7 HIS HA 1 8 GLY H 3.200 . 4.800 2.271 2.230 2.312 . 0 0 "[ . 1]" 1
84 1 7 HIS HB2 1 8 GLY HA2 4.200 2.100 6.000 4.746 4.734 4.762 . 0 0 "[ . 1]" 1
85 1 7 HIS HB2 1 43 LYS HA 3.700 . 5.400 3.361 3.019 3.762 . 0 0 "[ . 1]" 1
86 1 7 HIS HB2 1 43 LYS HG3 4.200 2.100 6.000 3.086 2.556 4.155 . 0 0 "[ . 1]" 1
87 1 7 HIS HB3 1 8 GLY H 4.900 2.400 6.000 3.904 3.815 3.963 . 0 0 "[ . 1]" 1
88 1 7 HIS HB3 1 8 GLY HA2 3.900 . 5.800 4.331 4.311 4.339 . 0 0 "[ . 1]" 1
89 1 7 HIS HB3 1 43 LYS HA 4.000 . 5.500 4.035 3.766 4.302 . 0 0 "[ . 1]" 1
90 1 7 HIS HB3 1 43 LYS HG3 4.200 2.100 6.000 3.168 2.530 3.971 . 0 0 "[ . 1]" 1
91 1 8 GLY H 1 8 GLY HA2 2.800 . 4.200 2.893 2.882 2.908 . 0 0 "[ . 1]" 1
92 1 8 GLY H 1 13 ILE MG 4.700 2.300 6.000 3.914 3.272 4.810 . 0 0 "[ . 1]" 1
93 1 8 GLY HA2 1 44 VAL H 3.700 . 5.500 1.963 1.906 2.019 . 0 0 "[ . 1]" 1
94 1 8 GLY HA3 1 9 ASP H 3.800 . 5.400 3.331 3.216 3.426 . 0 0 "[ . 1]" 1
95 1 8 GLY HA3 1 44 VAL H . 3.000 5.900 3.410 3.219 3.608 . 0 0 "[ . 1]" 1
96 1 8 GLY HA3 1 44 VAL HB 3.900 . 5.900 4.169 4.120 4.183 . 0 0 "[ . 1]" 1
97 1 8 GLY HA3 1 44 VAL MG1 3.600 . 4.900 2.103 1.910 2.297 . 0 0 "[ . 1]" 1
98 1 9 ASP H 1 9 ASP HA 2.700 . 4.000 2.924 2.897 2.947 . 0 0 "[ . 1]" 1
99 1 9 ASP H 1 9 ASP HB2 4.200 2.100 6.000 2.547 2.319 2.880 . 0 0 "[ . 1]" 1
100 1 9 ASP H 1 9 ASP HB3 3.900 . 5.800 3.323 2.440 3.695 . 0 0 "[ . 1]" 1
101 1 9 ASP H 1 44 VAL H 3.600 . 5.400 2.867 2.391 3.407 . 0 0 "[ . 1]" 1
102 1 9 ASP H 1 44 VAL MG1 4.300 2.100 6.000 2.572 2.328 2.837 . 0 0 "[ . 1]" 1
103 1 9 ASP H 1 45 LYS HA 4.200 2.100 6.000 3.568 3.126 3.906 . 0 0 "[ . 1]" 1
104 1 9 ASP HA 1 10 ASN H 2.700 . 4.100 2.274 2.136 2.420 . 0 0 "[ . 1]" 1
105 1 10 ASN H 1 10 ASN HB3 4.800 2.400 6.000 3.218 2.601 4.128 . 0 0 "[ . 1]" 1
106 1 10 ASN HA 1 10 ASN HB3 3.000 . 4.500 2.638 2.442 3.029 . 0 0 "[ . 1]" 1
107 1 10 ASN HA 1 11 LEU H 3.900 . 5.900 3.003 2.203 3.561 . 0 0 "[ . 1]" 1
108 1 10 ASN HB2 1 12 THR H 4.700 2.400 6.000 4.380 2.762 6.134 0.134 4 0 "[ . 1]" 1
109 1 10 ASN HB3 1 12 THR H 4.500 2.200 6.000 4.480 2.687 5.981 . 0 0 "[ . 1]" 1
110 1 11 LEU H 1 11 LEU HB2 4.600 2.300 6.000 2.766 2.473 3.640 . 0 0 "[ . 1]" 1
111 1 11 LEU H 1 11 LEU HB3 4.600 2.300 5.900 3.249 2.444 4.111 . 0 0 "[ . 1]" 1
112 1 11 LEU H 1 12 THR H 4.600 2.300 6.000 2.985 2.472 4.238 . 0 0 "[ . 1]" 1
113 1 11 LEU HA 1 12 THR H 3.400 . 5.100 3.390 2.155 3.578 . 0 0 "[ . 1]" 1
114 1 11 LEU HB2 1 12 THR H 4.300 2.200 6.000 3.082 1.824 4.427 0.376 4 0 "[ . 1]" 1
115 1 11 LEU HB3 1 12 THR H 4.300 2.200 5.700 3.044 2.267 4.389 . 0 0 "[ . 1]" 1
116 1 12 THR H 1 12 THR HB 3.800 . 5.400 3.350 2.745 3.602 . 0 0 "[ . 1]" 1
117 1 12 THR HA 1 12 THR HB 2.800 . 4.200 2.670 2.407 3.029 . 0 0 "[ . 1]" 1
118 1 12 THR HA 1 12 THR HG1 2.600 . 3.900 2.963 2.308 4.007 0.107 4 0 "[ . 1]" 1
119 1 12 THR HA 1 13 ILE H 3.700 . 4.900 2.311 2.142 2.907 . 0 0 "[ . 1]" 1
120 1 12 THR HA 1 13 ILE MG 3.700 . 5.500 4.470 3.736 5.627 0.127 1 0 "[ . 1]" 1
121 1 12 THR HB 1 12 THR HG1 2.200 . 3.300 2.569 2.117 2.799 . 0 0 "[ . 1]" 1
122 1 12 THR HB 1 13 ILE H 3.900 . 5.800 4.258 4.046 4.467 . 0 0 "[ . 1]" 1
123 1 13 ILE H 1 13 ILE HA 4.400 2.200 6.000 2.891 2.772 2.936 . 0 0 "[ . 1]" 1
124 1 13 ILE H 1 13 ILE HB 4.000 . 6.000 3.278 2.605 3.677 . 0 0 "[ . 1]" 1
125 1 13 ILE H 1 13 ILE MD 4.100 . 6.000 3.520 2.312 4.470 . 0 0 "[ . 1]" 1
126 1 13 ILE H 1 13 ILE QG 4.000 2.100 6.000 2.391 1.712 3.990 0.388 9 0 "[ . 1]" 1
127 1 13 ILE H 1 13 ILE MG 4.700 2.300 6.000 2.815 1.854 3.840 0.446 6 0 "[ . 1]" 1
128 1 13 ILE HA 1 13 ILE MD 3.100 . 4.100 3.732 2.103 4.190 0.090 3 0 "[ . 1]" 1
129 1 13 ILE HA 1 13 ILE QG 3.200 . 4.500 3.046 2.448 3.391 . 0 0 "[ . 1]" 1
130 1 13 ILE HA 1 13 ILE MG 2.800 . 4.200 2.458 2.168 3.217 . 0 0 "[ . 1]" 1
131 1 13 ILE HA 1 14 THR H 2.900 . 4.400 2.236 2.119 2.414 . 0 0 "[ . 1]" 1
132 1 13 ILE HA 1 17 ILE MD 3.400 . 5.100 3.286 2.571 3.658 . 0 0 "[ . 1]" 1
133 1 13 ILE HB 1 13 ILE MD 3.500 . 5.100 2.477 2.308 3.239 . 0 0 "[ . 1]" 1
134 1 13 ILE HB 1 14 THR H 3.100 . 4.700 3.586 2.384 4.554 . 0 0 "[ . 1]" 1
135 1 13 ILE MD 1 13 ILE MG 2.300 . 3.400 2.314 1.906 3.213 . 0 0 "[ . 1]" 1
136 1 13 ILE MD 1 14 THR H 3.900 . 5.800 4.640 3.679 5.642 . 0 0 "[ . 1]" 1
137 1 13 ILE QG 1 13 ILE MG 2.600 . 3.900 2.255 2.072 2.367 . 0 0 "[ . 1]" 1
138 1 13 ILE QG 1 14 THR H 3.100 . 4.700 4.209 3.133 4.814 0.114 2 0 "[ . 1]" 1
139 1 13 ILE QG 1 14 THR HA 3.000 . 4.400 4.803 3.455 6.016 1.616 2 5 "[*+ . *-*]" 1
140 1 13 ILE MG 1 14 THR H 3.300 . 4.600 3.736 3.284 4.238 . 0 0 "[ . 1]" 1
141 1 14 THR H 1 17 ILE HB 3.400 . 5.100 3.512 3.138 3.613 . 0 0 "[ . 1]" 1
142 1 14 THR H 1 17 ILE MD 3.400 . 4.700 2.623 2.169 2.956 . 0 0 "[ . 1]" 1
143 1 14 THR HA 1 16 ALA H 5.900 2.900 6.000 4.220 3.829 4.643 . 0 0 "[ . 1]" 1
144 1 14 THR HB 1 14 THR MG 2.400 . 3.600 2.131 2.127 2.136 . 0 0 "[ . 1]" 1
145 1 14 THR HB 1 15 ASP H 3.500 . 5.300 2.844 1.973 3.472 . 0 0 "[ . 1]" 1
146 1 14 THR HB 1 16 ALA H 3.600 . 5.400 3.436 2.269 4.683 . 0 0 "[ . 1]" 1
147 1 14 THR MG 1 15 ASP H 3.900 . 5.300 3.250 2.779 3.729 . 0 0 "[ . 1]" 1
148 1 15 ASP H 1 15 ASP HB2 4.600 2.300 6.000 2.716 2.362 3.625 . 0 0 "[ . 1]" 1
149 1 15 ASP H 1 15 ASP HB3 3.900 . 5.800 2.955 2.447 3.609 . 0 0 "[ . 1]" 1
150 1 15 ASP HA 1 16 ALA H 4.600 2.300 6.000 3.425 3.344 3.511 . 0 0 "[ . 1]" 1
151 1 15 ASP HA 1 18 ARG H 3.800 . 5.700 3.360 3.034 3.722 . 0 0 "[ . 1]" 1
152 1 15 ASP HA 1 19 ASN H 3.200 . 4.800 3.545 3.422 3.724 . 0 0 "[ . 1]" 1
153 1 16 ALA H 1 16 ALA MB 3.000 . 4.500 2.186 2.175 2.203 . 0 0 "[ . 1]" 1
154 1 16 ALA H 1 17 ILE H 4.200 2.300 6.000 3.025 2.879 3.143 . 0 0 "[ . 1]" 1
155 1 16 ALA H 1 18 ARG H 4.100 3.000 6.000 4.080 3.922 4.205 . 0 0 "[ . 1]" 1
156 1 16 ALA HA 1 17 ILE H 5.500 2.700 6.000 3.530 3.517 3.540 . 0 0 "[ . 1]" 1
157 1 16 ALA HA 1 19 ASN H 4.300 2.200 6.000 3.986 3.834 4.191 . 0 0 "[ . 1]" 1
158 1 16 ALA HA 1 19 ASN HB2 3.600 . 5.000 3.417 2.804 4.256 . 0 0 "[ . 1]" 1
159 1 16 ALA HA 1 19 ASN HB3 2.900 . 4.300 3.728 3.212 4.266 . 0 0 "[ . 1]" 1
160 1 16 ALA MB 1 17 ILE H 3.200 . 4.600 1.942 1.909 1.975 . 0 0 "[ . 1]" 1
161 1 16 ALA MB 1 17 ILE HB 3.500 . 5.300 3.869 3.856 3.877 . 0 0 "[ . 1]" 1
162 1 16 ALA MB 1 18 ARG H 4.300 2.100 6.000 4.082 4.020 4.114 . 0 0 "[ . 1]" 1
163 1 17 ILE H 1 17 ILE HB 3.000 . 4.500 2.314 2.277 2.350 . 0 0 "[ . 1]" 1
164 1 17 ILE H 1 17 ILE MD 3.900 . 5.700 1.895 1.890 1.926 0.010 3 0 "[ . 1]" 1
165 1 17 ILE H 1 17 ILE HG13 3.900 . 5.500 3.301 3.176 3.445 . 0 0 "[ . 1]" 1
166 1 17 ILE H 1 17 ILE MG 3.500 . 5.200 3.709 3.690 3.724 . 0 0 "[ . 1]" 1
167 1 17 ILE H 1 18 ARG H 3.300 . 4.900 2.544 2.506 2.594 . 0 0 "[ . 1]" 1
168 1 17 ILE HA 1 17 ILE MD 3.300 . 4.900 3.097 2.966 3.212 . 0 0 "[ . 1]" 1
169 1 17 ILE HA 1 17 ILE HG13 3.100 . 4.700 2.247 2.201 2.304 . 0 0 "[ . 1]" 1
170 1 17 ILE HA 1 17 ILE MG 2.900 . 4.300 2.526 2.515 2.549 . 0 0 "[ . 1]" 1
171 1 17 ILE HA 1 20 TYR H 4.100 2.100 5.600 3.023 2.909 3.163 . 0 0 "[ . 1]" 1
172 1 17 ILE HA 1 20 TYR HB2 3.700 . 4.800 2.145 1.926 2.315 . 0 0 "[ . 1]" 1
173 1 17 ILE HA 1 20 TYR HB3 3.100 . 4.700 2.361 2.203 2.584 . 0 0 "[ . 1]" 1
174 1 17 ILE HB 1 17 ILE MD 3.000 . 4.500 2.288 2.262 2.335 . 0 0 "[ . 1]" 1
175 1 17 ILE HB 1 18 ARG H 2.800 . 4.200 2.544 2.478 2.604 . 0 0 "[ . 1]" 1
176 1 17 ILE HB 1 18 ARG HA 3.300 . 5.000 4.226 4.224 4.228 . 0 0 "[ . 1]" 1
177 1 17 ILE HG13 1 20 TYR HB2 3.600 . 5.400 3.876 3.868 3.884 . 0 0 "[ . 1]" 1
178 1 17 ILE HG13 1 20 TYR HB3 3.700 . 5.600 4.003 3.879 4.099 . 0 0 "[ . 1]" 1
179 1 17 ILE MG 1 18 ARG H 3.400 . 4.800 3.182 3.119 3.249 . 0 0 "[ . 1]" 1
180 1 17 ILE MG 1 18 ARG HA 2.800 . 4.200 3.067 2.921 3.111 . 0 0 "[ . 1]" 1
181 1 17 ILE MG 1 20 TYR HB2 3.600 . 5.400 3.920 3.771 3.973 . 0 0 "[ . 1]" 1
182 1 17 ILE MG 1 20 TYR HB3 3.700 . 5.500 3.035 2.894 3.304 . 0 0 "[ . 1]" 1
183 1 17 ILE MG 1 21 ILE H 3.200 . 4.800 3.803 3.746 3.867 . 0 0 "[ . 1]" 1
184 1 17 ILE MG 1 21 ILE HA 3.000 . 4.200 4.846 4.764 5.031 0.831 9 10 [*******-+*] 1
185 1 18 ARG H 1 18 ARG HB2 2.800 . 4.200 2.510 2.407 2.567 . 0 0 "[ . 1]" 1
186 1 18 ARG H 1 18 ARG HB3 2.900 . 4.400 3.180 2.473 3.608 . 0 0 "[ . 1]" 1
187 1 18 ARG H 1 19 ASN H 3.600 . 5.200 2.712 2.637 2.789 . 0 0 "[ . 1]" 1
188 1 18 ARG HA 1 19 ASN H 5.500 2.800 5.700 3.528 3.512 3.543 . 0 0 "[ . 1]" 1
189 1 18 ARG HA 1 21 ILE H 4.000 . 6.000 3.525 3.436 3.727 . 0 0 "[ . 1]" 1
190 1 18 ARG HA 1 21 ILE HB 3.100 . 4.400 3.049 2.875 3.417 . 0 0 "[ . 1]" 1
191 1 18 ARG HB2 1 18 ARG HD2 3.100 . 4.300 2.899 2.455 3.685 . 0 0 "[ . 1]" 1
192 1 18 ARG HB2 1 19 ASN H 3.100 . 4.700 2.939 2.271 3.766 . 0 0 "[ . 1]" 1
193 1 18 ARG HB3 1 19 ASN H 3.300 . 5.000 3.034 2.368 3.563 . 0 0 "[ . 1]" 1
194 1 19 ASN H 1 19 ASN HB2 3.100 . 4.600 2.285 2.146 2.569 . 0 0 "[ . 1]" 1
195 1 19 ASN H 1 19 ASN HB3 2.900 . 4.300 3.042 2.469 3.546 . 0 0 "[ . 1]" 1
196 1 19 ASN H 1 20 TYR H 3.400 . 5.100 2.777 2.685 2.899 . 0 0 "[ . 1]" 1
197 1 19 ASN HA 1 19 ASN HB3 2.800 . 4.200 2.874 2.636 3.030 . 0 0 "[ . 1]" 1
198 1 19 ASN HA 1 20 TYR H 4.100 . 6.000 3.554 3.535 3.569 . 0 0 "[ . 1]" 1
199 1 19 ASN HA 1 22 GLU H 4.500 2.300 5.200 3.249 3.161 3.403 . 0 0 "[ . 1]" 1
200 1 19 ASN HB2 1 20 TYR H 3.900 . 5.800 3.141 2.347 3.817 . 0 0 "[ . 1]" 1
201 1 19 ASN HB3 1 20 TYR H 3.300 2.100 5.000 2.597 2.005 3.157 0.095 6 0 "[ . 1]" 1
202 1 20 TYR H 1 20 TYR HB2 3.100 . 4.600 2.225 1.993 2.381 . 0 0 "[ . 1]" 1
203 1 20 TYR H 1 20 TYR HB3 3.000 . 4.500 2.896 2.761 3.049 . 0 0 "[ . 1]" 1
204 1 20 TYR H 1 21 ILE H 3.200 . 4.800 2.867 2.757 2.977 . 0 0 "[ . 1]" 1
205 1 20 TYR H 1 22 GLU H 2.600 . 3.600 3.943 3.803 4.041 0.441 10 0 "[ . 1]" 1
206 1 20 TYR HA 1 20 TYR HB2 3.000 . 4.500 2.629 2.564 2.744 . 0 0 "[ . 1]" 1
207 1 20 TYR HA 1 21 ILE H 3.500 . 5.200 3.530 3.498 3.551 . 0 0 "[ . 1]" 1
208 1 20 TYR HA 1 23 GLU H 4.300 2.100 6.000 3.723 3.462 4.123 . 0 0 "[ . 1]" 1
209 1 20 TYR HA 1 23 GLU QB 3.100 . 4.600 3.275 3.040 3.904 . 0 0 "[ . 1]" 1
210 1 20 TYR HB2 1 21 ILE H 3.900 . 5.800 3.725 3.404 3.886 . 0 0 "[ . 1]" 1
211 1 20 TYR HB3 1 21 ILE H 3.500 . 5.200 2.745 2.579 2.875 . 0 0 "[ . 1]" 1
212 1 21 ILE H 1 21 ILE HB 3.100 . 4.700 2.393 2.353 2.445 . 0 0 "[ . 1]" 1
213 1 21 ILE H 1 22 GLU H 3.100 . 4.700 1.979 1.955 2.016 . 0 0 "[ . 1]" 1
214 1 21 ILE H 1 22 GLU HA 4.000 . 6.000 4.600 4.596 4.603 . 0 0 "[ . 1]" 1
215 1 21 ILE HA 1 22 GLU H . 2.900 5.400 3.426 3.406 3.445 . 0 0 "[ . 1]" 1
216 1 21 ILE HA 1 24 LYS H 6.000 3.000 6.000 3.105 2.939 3.506 0.061 6 0 "[ . 1]" 1
217 1 21 ILE HA 1 24 LYS HB2 3.600 . 5.200 2.821 2.178 3.837 . 0 0 "[ . 1]" 1
218 1 21 ILE HA 1 25 ILE H 4.900 2.400 6.000 3.504 3.203 3.841 . 0 0 "[ . 1]" 1
219 1 21 ILE HB 1 22 GLU H 2.900 . 4.300 2.717 2.709 2.725 . 0 0 "[ . 1]" 1
220 1 22 GLU H 1 22 GLU HB2 3.000 . 4.500 2.561 2.474 2.636 . 0 0 "[ . 1]" 1
221 1 22 GLU H 1 23 GLU H 3.000 . 4.400 2.406 2.339 2.500 . 0 0 "[ . 1]" 1
222 1 22 GLU H 1 23 GLU HG2 3.600 . 5.400 4.896 3.588 5.107 . 0 0 "[ . 1]" 1
223 1 22 GLU HA 1 23 GLU H 5.300 2.600 6.000 3.426 3.390 3.445 . 0 0 "[ . 1]" 1
224 1 22 GLU HA 1 25 ILE H 4.200 2.100 6.000 3.918 3.631 4.468 . 0 0 "[ . 1]" 1
225 1 22 GLU HA 1 26 GLY H 4.800 2.400 5.800 3.706 3.382 4.032 . 0 0 "[ . 1]" 1
226 1 22 GLU HB2 1 23 GLU H 3.300 . 4.900 3.858 3.761 3.931 . 0 0 "[ . 1]" 1
227 1 23 GLU H 1 23 GLU QB 2.900 . 4.300 2.584 2.476 2.635 . 0 0 "[ . 1]" 1
228 1 23 GLU H 1 23 GLU HG2 3.700 . 5.600 2.941 1.912 3.165 . 0 0 "[ . 1]" 1
229 1 23 GLU H 1 24 LYS H 3.100 . 4.400 2.498 2.343 2.597 . 0 0 "[ . 1]" 1
230 1 23 GLU HA 1 23 GLU HG2 3.200 . 4.800 2.747 2.648 3.079 . 0 0 "[ . 1]" 1
231 1 23 GLU HA 1 24 LYS H 4.500 2.200 6.000 3.561 3.501 3.586 . 0 0 "[ . 1]" 1
232 1 23 GLU HA 1 26 GLY H 3.300 . 5.000 3.440 3.145 3.805 . 0 0 "[ . 1]" 1
233 1 23 GLU QB 1 24 LYS H 3.300 . 5.000 2.442 2.285 2.693 . 0 0 "[ . 1]" 1
234 1 23 GLU HG2 1 24 LYS H 3.600 . 5.400 4.654 3.895 4.874 . 0 0 "[ . 1]" 1
235 1 24 LYS H 1 24 LYS HB2 2.800 . 4.200 2.391 2.081 2.584 . 0 0 "[ . 1]" 1
236 1 24 LYS H 1 25 ILE H 3.100 . 4.600 2.955 2.747 3.053 . 0 0 "[ . 1]" 1
237 1 24 LYS H 1 26 GLY H 4.400 2.200 6.000 3.880 3.650 3.997 . 0 0 "[ . 1]" 1
238 1 24 LYS HA 1 24 LYS HB2 2.800 . 4.200 2.622 2.425 3.021 . 0 0 "[ . 1]" 1
239 1 24 LYS HA 1 25 ILE H 3.500 . 5.300 3.559 3.539 3.584 . 0 0 "[ . 1]" 1
240 1 24 LYS HB2 1 25 ILE H 3.000 . 4.500 3.240 2.156 3.708 . 0 0 "[ . 1]" 1
241 1 24 LYS HB2 1 25 ILE HB 4.000 . 6.000 5.684 4.553 6.234 0.234 4 0 "[ . 1]" 1
242 1 25 ILE H 1 25 ILE HB 3.200 . 4.800 2.514 2.276 2.678 . 0 0 "[ . 1]" 1
243 1 25 ILE H 1 25 ILE MG 3.600 . 5.400 3.759 3.680 3.778 . 0 0 "[ . 1]" 1
244 1 25 ILE H 1 26 GLY H 3.600 . 4.800 2.675 2.583 2.803 . 0 0 "[ . 1]" 1
245 1 25 ILE H 1 26 GLY HA2 3.900 . 5.900 5.276 5.204 5.378 . 0 0 "[ . 1]" 1
246 1 25 ILE H 1 28 LEU QD 3.800 . 5.700 3.574 3.368 3.733 . 0 0 "[ . 1]" 1
247 1 25 ILE HA 1 25 ILE HB 3.000 . 4.500 3.017 2.980 3.025 . 0 0 "[ . 1]" 1
248 1 25 ILE HA 1 25 ILE MG 3.100 . 4.500 2.455 2.333 2.691 . 0 0 "[ . 1]" 1
249 1 25 ILE HA 1 28 LEU H 3.800 . 5.700 3.252 3.067 3.364 . 0 0 "[ . 1]" 1
250 1 25 ILE HA 1 28 LEU HG 3.100 . 4.700 2.928 2.579 3.148 . 0 0 "[ . 1]" 1
251 1 25 ILE HB 1 26 GLY H 3.900 . 5.800 2.750 2.624 2.898 . 0 0 "[ . 1]" 1
252 1 25 ILE MG 1 26 GLY H 4.800 2.400 6.000 3.460 2.921 3.810 . 0 0 "[ . 1]" 1
253 1 25 ILE MG 1 26 GLY HA3 4.000 . 6.000 4.542 3.999 4.897 . 0 0 "[ . 1]" 1
254 1 25 ILE MG 1 40 ALA MB 2.800 . 4.200 3.439 2.698 4.204 0.004 7 0 "[ . 1]" 1
255 1 26 GLY H 1 26 GLY HA3 3.000 . 4.500 2.287 2.281 2.296 . 0 0 "[ . 1]" 1
256 1 26 GLY H 1 27 LYS H 3.400 . 5.100 2.769 2.654 2.897 . 0 0 "[ . 1]" 1
257 1 26 GLY HA2 1 27 LYS H 3.800 . 5.100 3.558 3.527 3.606 . 0 0 "[ . 1]" 1
258 1 26 GLY HA3 1 27 LYS H 4.100 2.100 5.400 2.936 2.868 3.019 . 0 0 "[ . 1]" 1
259 1 26 GLY HA3 1 29 GLU H 4.000 . 6.000 4.583 4.316 4.917 . 0 0 "[ . 1]" 1
260 1 27 LYS H 1 27 LYS HA 3.000 . 4.500 2.881 2.875 2.887 . 0 0 "[ . 1]" 1
261 1 27 LYS H 1 27 LYS HB2 2.800 . 4.200 2.467 2.145 3.646 . 0 0 "[ . 1]" 1
262 1 27 LYS H 1 27 LYS HD3 3.300 . 4.900 3.146 2.888 3.296 . 0 0 "[ . 1]" 1
263 1 27 LYS H 1 28 LEU H 3.300 . 4.900 2.192 2.111 2.252 . 0 0 "[ . 1]" 1
264 1 27 LYS H 1 28 LEU HG 3.500 . 5.200 3.450 3.445 3.455 . 0 0 "[ . 1]" 1
265 1 27 LYS HA 1 27 LYS HB2 2.700 . 4.100 2.818 2.331 2.942 . 0 0 "[ . 1]" 1
266 1 27 LYS HA 1 27 LYS HD3 3.200 . 4.500 3.774 3.396 4.690 0.190 2 0 "[ . 1]" 1
267 1 27 LYS HA 1 28 LEU H 3.300 . 5.000 3.453 3.435 3.479 . 0 0 "[ . 1]" 1
268 1 27 LYS HA 1 30 ARG H 4.300 2.100 6.000 3.166 2.892 3.379 . 0 0 "[ . 1]" 1
269 1 27 LYS HB2 1 28 LEU H 2.900 . 4.400 3.221 2.918 4.116 . 0 0 "[ . 1]" 1
270 1 28 LEU H 1 28 LEU QB 2.900 . 4.300 2.535 2.508 2.558 . 0 0 "[ . 1]" 1
271 1 28 LEU H 1 28 LEU QD 4.100 . 6.000 2.853 2.805 2.899 . 0 0 "[ . 1]" 1
272 1 28 LEU H 1 28 LEU HG 3.400 . 5.100 1.843 1.778 1.908 . 0 0 "[ . 1]" 1
273 1 28 LEU H 1 29 GLU H 3.500 . 5.000 2.558 2.471 2.634 . 0 0 "[ . 1]" 1
274 1 28 LEU HA 1 28 LEU QD 2.500 . 3.700 2.071 2.010 2.125 . 0 0 "[ . 1]" 1
275 1 28 LEU HA 1 28 LEU HG 2.700 . 4.000 3.051 3.042 3.059 . 0 0 "[ . 1]" 1
276 1 28 LEU HA 1 29 GLU H 3.800 . 5.700 3.510 3.481 3.543 . 0 0 "[ . 1]" 1
277 1 28 LEU HA 1 29 GLU HA 4.800 2.400 6.000 4.801 4.677 4.907 . 0 0 "[ . 1]" 1
278 1 28 LEU QB 1 28 LEU HG 2.300 . 3.400 2.369 2.356 2.388 . 0 0 "[ . 1]" 1
279 1 28 LEU QB 1 29 GLU H 2.900 . 4.400 2.481 2.300 2.748 . 0 0 "[ . 1]" 1
280 1 28 LEU QB 1 32 PHE QD 4.100 2.100 6.000 5.213 4.558 6.261 0.261 9 0 "[ . 1]" 1
281 1 28 LEU QD 1 82 ASN HA 3.300 . 4.900 3.532 2.853 4.312 . 0 0 "[ . 1]" 1
282 1 28 LEU QD 1 86 GLU H 3.400 . 5.100 4.298 3.551 5.028 . 0 0 "[ . 1]" 1
283 1 28 LEU QD 1 86 GLU HA 3.400 . 4.800 4.484 3.397 5.616 0.816 5 2 "[ +- 1]" 1
284 1 28 LEU HG 1 29 GLU H 4.800 2.400 6.000 3.898 3.810 3.972 . 0 0 "[ . 1]" 1
285 1 29 GLU H 1 29 GLU HB2 2.800 . 4.200 2.493 2.087 2.637 . 0 0 "[ . 1]" 1
286 1 29 GLU H 1 29 GLU HB3 2.900 . 4.400 2.654 2.367 3.598 . 0 0 "[ . 1]" 1
287 1 29 GLU H 1 30 ARG H 3.500 . 4.800 2.625 2.374 2.797 . 0 0 "[ . 1]" 1
288 1 29 GLU HA 1 30 ARG H 5.600 2.800 6.000 3.526 3.469 3.553 . 0 0 "[ . 1]" 1
289 1 29 GLU HA 1 32 PHE H 3.200 . 4.800 3.680 3.379 3.844 . 0 0 "[ . 1]" 1
290 1 29 GLU HA 1 32 PHE QD 3.500 . 5.200 2.576 2.281 3.558 . 0 0 "[ . 1]" 1
291 1 29 GLU HB2 1 30 ARG H 3.700 . 5.600 3.794 3.032 4.026 . 0 0 "[ . 1]" 1
292 1 29 GLU HB3 1 30 ARG H 3.900 . 5.800 2.879 2.479 3.994 . 0 0 "[ . 1]" 1
293 1 30 ARG H 1 30 ARG HB2 3.400 . 5.100 2.331 2.144 2.385 . 0 0 "[ . 1]" 1
294 1 30 ARG H 1 30 ARG HG3 3.200 . 4.800 3.739 3.026 3.926 . 0 0 "[ . 1]" 1
295 1 30 ARG H 1 31 TYR H 3.300 . 4.500 2.727 2.611 2.863 . 0 0 "[ . 1]" 1
296 1 30 ARG HA 1 30 ARG HB2 2.800 . 4.200 2.922 2.894 2.929 . 0 0 "[ . 1]" 1
297 1 30 ARG HA 1 30 ARG HG3 2.900 . 4.300 3.563 2.789 3.693 . 0 0 "[ . 1]" 1
298 1 30 ARG HA 1 32 PHE H 3.700 . 4.700 3.312 3.299 3.323 . 0 0 "[ . 1]" 1
299 1 31 TYR H 1 31 TYR HB2 3.400 . 5.100 2.436 2.376 2.487 . 0 0 "[ . 1]" 1
300 1 31 TYR H 1 31 TYR HB3 3.100 2.100 4.700 3.622 3.600 3.658 . 0 0 "[ . 1]" 1
301 1 31 TYR H 1 32 PHE H 2.200 . 3.300 2.423 2.363 2.493 . 0 0 "[ . 1]" 1
302 1 31 TYR HA 1 32 PHE H 4.000 . 4.800 3.378 3.193 3.432 . 0 0 "[ . 1]" 1
303 1 31 TYR HA 1 32 PHE QD 2.800 . 4.200 4.698 4.342 4.815 0.615 2 8 "[*+****- *]" 1
304 1 31 TYR HB2 1 32 PHE H 3.200 . 4.800 3.219 2.999 3.694 . 0 0 "[ . 1]" 1
305 1 31 TYR HB2 1 32 PHE QD 3.000 . 4.500 3.341 3.251 3.354 . 0 0 "[ . 1]" 1
306 1 31 TYR HB3 1 32 PHE H 6.000 3.000 6.000 4.027 3.901 4.349 . 0 0 "[ . 1]" 1
307 1 31 TYR HB3 1 32 PHE QD 3.000 . 4.500 3.459 3.337 3.489 . 0 0 "[ . 1]" 1
308 1 32 PHE H 1 32 PHE HB2 3.300 . 5.000 2.752 2.416 2.846 . 0 0 "[ . 1]" 1
309 1 32 PHE H 1 32 PHE HB3 3.100 . 4.700 3.650 3.548 3.676 . 0 0 "[ . 1]" 1
310 1 32 PHE H 1 32 PHE QD 3.900 . 5.900 3.221 3.130 3.438 . 0 0 "[ . 1]" 1
311 1 32 PHE HA 1 32 PHE QD 3.400 . 4.800 2.487 2.043 2.657 . 0 0 "[ . 1]" 1
312 1 32 PHE HA 1 35 VAL QG 3.600 . 5.400 4.432 3.874 5.294 . 0 0 "[ . 1]" 1
313 1 32 PHE HB2 1 33 ASN HA 3.500 . 5.000 3.931 3.819 4.785 . 0 0 "[ . 1]" 1
314 1 32 PHE HB2 1 35 VAL HB 3.700 . 5.400 2.710 2.216 4.124 . 0 0 "[ . 1]" 1
315 1 32 PHE HB2 1 35 VAL QG 3.300 . 5.000 2.485 1.882 3.303 . 0 0 "[ . 1]" 1
316 1 32 PHE HB3 1 35 VAL QG 3.800 . 5.700 3.127 2.079 4.146 . 0 0 "[ . 1]" 1
317 1 32 PHE QD 1 35 VAL HB 4.100 2.100 6.000 2.460 2.045 2.981 0.055 5 0 "[ . 1]" 1
318 1 32 PHE QD 1 38 ALA MB 3.800 . 5.700 4.007 3.313 4.224 . 0 0 "[ . 1]" 1
319 1 33 ASN HA 1 33 ASN HB3 2.700 . 3.800 2.704 2.435 3.031 . 0 0 "[ . 1]" 1
320 1 33 ASN HA 1 34 ASP H 3.700 . 5.600 3.395 3.148 3.538 . 0 0 "[ . 1]" 1
321 1 33 ASN HA 1 35 VAL H 3.200 . 4.800 3.595 3.380 3.769 . 0 0 "[ . 1]" 1
322 1 34 ASP H 1 34 ASP HA 2.900 . 4.400 2.816 2.802 2.834 . 0 0 "[ . 1]" 1
323 1 34 ASP H 1 34 ASP HB2 4.100 . 6.000 3.039 2.349 3.731 . 0 0 "[ . 1]" 1
324 1 34 ASP H 1 34 ASP HB3 4.400 2.200 6.000 3.107 2.595 3.611 . 0 0 "[ . 1]" 1
325 1 34 ASP H 1 35 VAL H 4.300 2.400 6.000 2.830 2.490 3.017 . 0 0 "[ . 1]" 1
326 1 34 ASP HA 1 34 ASP HB2 2.500 . 3.800 2.670 2.417 2.992 . 0 0 "[ . 1]" 1
327 1 34 ASP HA 1 34 ASP HB3 2.500 . 3.700 2.525 2.394 2.992 . 0 0 "[ . 1]" 1
328 1 34 ASP HA 1 35 VAL H 3.000 . 4.500 2.892 2.883 2.900 . 0 0 "[ . 1]" 1
329 1 35 VAL H 1 35 VAL HB 3.000 . 4.500 2.828 2.624 2.918 . 0 0 "[ . 1]" 1
330 1 35 VAL H 1 35 VAL QG 3.100 . 4.600 2.045 1.897 2.771 . 0 0 "[ . 1]" 1
331 1 35 VAL HA 1 35 VAL HB 3.000 . 4.200 2.463 2.379 2.959 . 0 0 "[ . 1]" 1
332 1 35 VAL HA 1 35 VAL QG 3.000 . 4.100 2.312 2.113 2.399 . 0 0 "[ . 1]" 1
333 1 35 VAL HA 1 37 ASN H 3.300 . 5.000 3.432 2.900 4.087 . 0 0 "[ . 1]" 1
334 1 35 VAL QG 1 36 PRO HA 4.300 2.100 6.000 3.824 3.643 4.069 . 0 0 "[ . 1]" 1
335 1 35 VAL QG 1 37 ASN H 4.300 2.200 6.000 2.522 2.238 2.919 . 0 0 "[ . 1]" 1
336 1 35 VAL QG 1 38 ALA H 4.500 2.300 6.000 3.569 2.887 3.911 . 0 0 "[ . 1]" 1
337 1 35 VAL QG 1 38 ALA MB 3.400 . 5.100 2.086 1.924 2.235 . 0 0 "[ . 1]" 1
338 1 35 VAL QG 1 60 LEU QB 2.700 . 4.100 3.871 3.018 4.791 0.691 9 1 "[ . +1]" 1
339 1 36 PRO HA 1 36 PRO HB3 3.000 . 4.100 2.299 2.266 2.323 . 0 0 "[ . 1]" 1
340 1 36 PRO HA 1 36 PRO HG2 3.200 . 4.200 3.961 3.860 4.045 . 0 0 "[ . 1]" 1
341 1 36 PRO HA 1 37 ASN H 3.300 . 5.000 3.461 3.369 3.578 . 0 0 "[ . 1]" 1
342 1 36 PRO HB3 1 37 ASN H 5.400 2.700 6.000 4.194 3.752 4.428 . 0 0 "[ . 1]" 1
343 1 36 PRO HG2 1 37 ASN H 3.900 . 5.800 3.392 2.858 3.758 . 0 0 "[ . 1]" 1
344 1 37 ASN H 1 37 ASN HB3 3.800 . 5.700 3.126 2.759 3.831 . 0 0 "[ . 1]" 1
345 1 37 ASN H 1 61 LYS HB3 4.200 2.100 6.000 5.232 4.626 6.115 0.115 6 0 "[ . 1]" 1
346 1 37 ASN HA 1 38 ALA H 3.100 . 4.700 2.118 2.082 2.148 . 0 0 "[ . 1]" 1
347 1 38 ALA H 1 38 ALA MB 2.900 . 4.400 2.690 2.551 2.811 . 0 0 "[ . 1]" 1
348 1 38 ALA H 1 39 VAL H 2.500 . 3.700 4.079 3.885 4.296 0.596 6 3 "[* .+ - 1]" 1
349 1 38 ALA HA 1 38 ALA MB 2.400 . 3.600 2.138 2.130 2.144 . 0 0 "[ . 1]" 1
350 1 38 ALA HA 1 39 VAL H 2.600 . 3.900 2.210 2.154 2.340 . 0 0 "[ . 1]" 1
351 1 38 ALA HA 1 39 VAL HB 3.800 . 5.700 4.123 4.069 4.195 . 0 0 "[ . 1]" 1
352 1 38 ALA HA 1 39 VAL MG1 3.400 . 5.100 5.216 5.191 5.239 0.139 2 0 "[ . 1]" 1
353 1 38 ALA HA 1 39 VAL MG2 3.600 . 5.400 4.103 3.988 4.256 . 0 0 "[ . 1]" 1
354 1 38 ALA MB 1 39 VAL H 3.400 . 4.500 3.178 2.715 3.282 . 0 0 "[ . 1]" 1
355 1 38 ALA MB 1 39 VAL MG2 2.900 . 4.400 4.542 4.488 4.591 0.191 2 0 "[ . 1]" 1
356 1 38 ALA MB 1 60 LEU HA 3.700 . 5.600 2.803 2.429 3.377 . 0 0 "[ . 1]" 1
357 1 39 VAL H 1 39 VAL HB 3.200 . 4.800 2.288 2.230 2.385 . 0 0 "[ . 1]" 1
358 1 39 VAL H 1 39 VAL MG1 3.500 . 4.800 3.435 3.428 3.441 . 0 0 "[ . 1]" 1
359 1 39 VAL H 1 39 VAL MG2 4.500 2.300 5.600 3.172 3.086 3.274 . 0 0 "[ . 1]" 1
360 1 39 VAL H 1 60 LEU HA 3.000 . 4.500 3.294 3.126 3.375 . 0 0 "[ . 1]" 1
361 1 39 VAL HA 1 39 VAL MG1 3.100 . 4.700 2.708 2.685 2.728 . 0 0 "[ . 1]" 1
362 1 39 VAL HA 1 39 VAL MG2 3.000 . 4.500 2.231 2.197 2.256 . 0 0 "[ . 1]" 1
363 1 39 VAL HA 1 40 ALA H 2.700 . 4.100 2.312 2.288 2.333 . 0 0 "[ . 1]" 1
364 1 39 VAL HB 1 40 ALA H 4.600 2.300 6.000 4.167 4.109 4.209 . 0 0 "[ . 1]" 1
365 1 39 VAL MG1 1 39 VAL MG2 2.500 . 3.700 2.079 2.064 2.100 . 0 0 "[ . 1]" 1
366 1 39 VAL MG1 1 40 ALA H 3.000 . 4.500 2.337 2.266 2.380 . 0 0 "[ . 1]" 1
367 1 39 VAL MG1 1 41 HIS H 3.600 . 5.400 2.257 2.208 2.318 . 0 0 "[ . 1]" 1
368 1 39 VAL MG1 1 58 ILE HA 2.800 . 4.200 2.833 2.825 2.839 . 0 0 "[ . 1]" 1
369 1 39 VAL MG2 1 40 ALA H 3.500 . 4.800 3.433 3.427 3.438 . 0 0 "[ . 1]" 1
370 1 39 VAL MG2 1 59 PRO HB3 3.300 . 5.000 4.971 4.905 5.049 0.049 2 0 "[ . 1]" 1
371 1 40 ALA H 1 40 ALA MB 3.000 . 4.500 2.516 2.487 2.560 . 0 0 "[ . 1]" 1
372 1 40 ALA HA 1 41 HIS H 2.700 . 4.100 2.242 2.219 2.262 . 0 0 "[ . 1]" 1
373 1 40 ALA HA 1 57 THR H 4.000 . 6.000 4.176 4.034 4.209 . 0 0 "[ . 1]" 1
374 1 40 ALA HA 1 58 ILE HA 3.600 . 3.600 2.028 2.021 2.034 . 0 0 "[ . 1]" 1
375 1 40 ALA MB 1 41 HIS H 3.600 . 5.300 3.585 3.572 3.605 . 0 0 "[ . 1]" 1
376 1 40 ALA MB 1 42 VAL HB 3.500 . 4.900 3.498 3.434 3.520 . 0 0 "[ . 1]" 1
377 1 40 ALA MB 1 56 VAL HA 3.600 . 5.400 5.071 4.879 5.209 . 0 0 "[ . 1]" 1
378 1 41 HIS H 1 41 HIS HB2 3.600 . 5.400 2.612 2.415 2.764 . 0 0 "[ . 1]" 1
379 1 41 HIS H 1 41 HIS HB3 3.400 . 5.100 2.552 2.404 2.725 . 0 0 "[ . 1]" 1
380 1 41 HIS H 1 42 VAL MG2 3.900 . 5.800 3.844 3.754 3.919 . 0 0 "[ . 1]" 1
381 1 41 HIS H 1 57 THR H 3.800 . 5.700 3.423 3.359 3.488 . 0 0 "[ . 1]" 1
382 1 41 HIS H 1 57 THR HB 3.600 . 5.400 3.646 3.481 3.790 . 0 0 "[ . 1]" 1
383 1 41 HIS H 1 58 ILE HA 3.600 . 4.200 2.730 2.605 2.893 . 0 0 "[ . 1]" 1
384 1 41 HIS HA 1 42 VAL H 2.800 . 4.200 2.230 2.212 2.253 . 0 0 "[ . 1]" 1
385 1 41 HIS HA 1 42 VAL MG1 4.000 . 5.400 5.261 5.234 5.287 . 0 0 "[ . 1]" 1
386 1 41 HIS HB2 1 42 VAL H 4.700 2.300 6.000 4.577 4.504 4.656 . 0 0 "[ . 1]" 1
387 1 41 HIS HB2 1 57 THR H 5.100 2.500 6.000 4.917 4.761 5.014 . 0 0 "[ . 1]" 1
388 1 41 HIS HB2 1 57 THR HB 3.400 . 5.100 3.608 3.605 3.612 . 0 0 "[ . 1]" 1
389 1 41 HIS HB3 1 57 THR H 6.000 3.000 6.000 3.517 3.454 3.579 . 0 0 "[ . 1]" 1
390 1 41 HIS HB3 1 57 THR HB 3.400 . 5.000 1.999 1.906 2.197 . 0 0 "[ . 1]" 1
391 1 41 HIS HB3 1 57 THR HG1 3.500 . 5.300 4.390 4.025 4.522 . 0 0 "[ . 1]" 1
392 1 42 VAL H 1 42 VAL HA 2.800 . 4.200 2.968 2.953 2.980 . 0 0 "[ . 1]" 1
393 1 42 VAL H 1 42 VAL HB 3.600 . 5.400 2.282 2.249 2.342 . 0 0 "[ . 1]" 1
394 1 42 VAL H 1 42 VAL MG1 3.600 . 4.800 3.436 3.424 3.443 . 0 0 "[ . 1]" 1
395 1 42 VAL H 1 42 VAL MG2 3.900 . 5.900 3.178 3.125 3.237 . 0 0 "[ . 1]" 1
396 1 42 VAL HA 1 42 VAL MG1 3.000 . 4.500 2.658 2.633 2.703 . 0 0 "[ . 1]" 1
397 1 42 VAL HA 1 42 VAL MG2 3.000 . 4.500 2.116 2.055 2.143 . 0 0 "[ . 1]" 1
398 1 42 VAL HA 1 43 LYS H 2.800 . 4.200 2.180 2.004 2.258 . 0 0 "[ . 1]" 1
399 1 42 VAL HA 1 43 LYS HB3 4.200 2.100 6.000 4.424 4.077 5.415 . 0 0 "[ . 1]" 1
400 1 42 VAL HA 1 55 GLU H 3.800 . 5.700 4.259 4.237 4.271 . 0 0 "[ . 1]" 1
401 1 42 VAL HA 1 56 VAL HA 2.300 . 3.400 1.985 1.937 2.022 . 0 0 "[ . 1]" 1
402 1 42 VAL HA 1 57 THR H 4.100 . 6.000 2.965 2.812 3.087 . 0 0 "[ . 1]" 1
403 1 42 VAL MG1 1 43 LYS H 3.900 . 5.900 2.238 2.145 2.554 . 0 0 "[ . 1]" 1
404 1 42 VAL MG1 1 56 VAL HB 4.300 2.200 6.000 3.805 3.600 4.087 . 0 0 "[ . 1]" 1
405 1 42 VAL MG1 1 57 THR H 3.900 2.100 5.900 4.777 4.767 4.786 . 0 0 "[ . 1]" 1
406 1 42 VAL MG2 1 43 LYS H 3.300 . 5.000 3.261 3.251 3.273 . 0 0 "[ . 1]" 1
407 1 42 VAL MG2 1 55 GLU H 3.400 . 5.100 4.412 4.249 4.550 . 0 0 "[ . 1]" 1
408 1 42 VAL MG2 1 57 THR H 3.300 . 5.000 2.670 2.568 2.716 . 0 0 "[ . 1]" 1
409 1 43 LYS H 1 43 LYS HB2 3.700 . 5.500 3.277 2.469 3.464 . 0 0 "[ . 1]" 1
410 1 43 LYS H 1 43 LYS HB3 3.700 . 5.500 2.938 2.749 3.659 . 0 0 "[ . 1]" 1
411 1 43 LYS H 1 55 GLU H 3.800 . 5.700 2.528 2.443 2.656 . 0 0 "[ . 1]" 1
412 1 43 LYS H 1 55 GLU HB2 3.700 . 5.500 3.575 2.914 4.375 . 0 0 "[ . 1]" 1
413 1 43 LYS H 1 55 GLU HB3 5.000 2.500 6.000 4.118 2.841 5.191 . 0 0 "[ . 1]" 1
414 1 43 LYS H 1 56 VAL HA 3.400 . 5.100 3.336 3.000 3.468 . 0 0 "[ . 1]" 1
415 1 43 LYS HA 1 43 LYS HG3 3.500 . 5.300 2.651 2.468 2.874 . 0 0 "[ . 1]" 1
416 1 43 LYS HA 1 44 VAL H 2.800 . 4.200 2.101 1.982 2.231 . 0 0 "[ . 1]" 1
417 1 43 LYS HA 1 44 VAL MG1 3.500 . 5.200 3.781 3.771 3.791 . 0 0 "[ . 1]" 1
418 1 43 LYS HB2 1 44 VAL H 3.200 . 4.800 4.105 3.810 4.336 . 0 0 "[ . 1]" 1
419 1 43 LYS HB2 1 55 GLU H 4.000 . 6.000 4.726 3.188 5.067 . 0 0 "[ . 1]" 1
420 1 43 LYS HG3 1 44 VAL H 4.700 2.300 6.000 3.270 2.234 4.682 0.066 9 0 "[ . 1]" 1
421 1 44 VAL H 1 44 VAL HB 3.200 . 4.800 2.906 2.646 3.133 . 0 0 "[ . 1]" 1
422 1 44 VAL H 1 44 VAL MG1 3.300 . 5.000 2.239 2.089 2.435 . 0 0 "[ . 1]" 1
423 1 44 VAL H 1 45 LYS H 5.500 2.700 6.000 4.369 4.295 4.462 . 0 0 "[ . 1]" 1
424 1 44 VAL HA 1 44 VAL MG1 2.800 . 4.200 3.145 3.132 3.156 . 0 0 "[ . 1]" 1
425 1 44 VAL HA 1 45 LYS H 2.600 . 3.900 2.320 2.293 2.373 . 0 0 "[ . 1]" 1
426 1 44 VAL HA 1 45 LYS HB3 3.800 . 5.700 5.539 5.453 5.580 . 0 0 "[ . 1]" 1
427 1 44 VAL HA 1 45 LYS HG3 3.800 . 5.700 3.976 3.584 4.938 . 0 0 "[ . 1]" 1
428 1 44 VAL HA 1 55 GLU H 2.800 . 4.200 3.537 3.346 3.648 . 0 0 "[ . 1]" 1
429 1 44 VAL HB 1 45 LYS H 5.300 2.600 6.000 3.958 3.931 4.013 . 0 0 "[ . 1]" 1
430 1 44 VAL MG1 1 45 LYS H 3.200 . 4.800 3.068 3.052 3.083 . 0 0 "[ . 1]" 1
431 1 44 VAL MG1 1 45 LYS HA 3.600 . 5.400 3.275 3.197 3.350 . 0 0 "[ . 1]" 1
432 1 44 VAL MG1 1 46 THR H 4.200 2.100 6.000 4.021 3.648 4.345 . 0 0 "[ . 1]" 1
433 1 45 LYS H 1 45 LYS HA 2.900 . 4.400 2.885 2.860 2.902 . 0 0 "[ . 1]" 1
434 1 45 LYS H 1 45 LYS HB2 3.300 . 5.000 2.865 2.787 2.946 . 0 0 "[ . 1]" 1
435 1 45 LYS H 1 45 LYS HB3 3.200 . 4.800 3.881 3.818 3.912 . 0 0 "[ . 1]" 1
436 1 45 LYS H 1 45 LYS HG3 4.000 . 6.000 3.633 3.358 4.467 . 0 0 "[ . 1]" 1
437 1 45 LYS H 1 46 THR HB 4.100 2.100 6.000 4.100 3.904 4.508 . 0 0 "[ . 1]" 1
438 1 45 LYS H 1 53 LYS H 2.400 . 3.600 2.788 2.380 3.055 . 0 0 "[ . 1]" 1
439 1 45 LYS H 1 53 LYS HB2 4.000 . 6.000 4.154 3.099 4.973 . 0 0 "[ . 1]" 1
440 1 45 LYS H 1 53 LYS HB3 5.100 2.500 6.000 3.860 3.257 4.785 . 0 0 "[ . 1]" 1
441 1 45 LYS H 1 54 ILE HA 2.800 . 4.200 3.697 3.568 3.792 . 0 0 "[ . 1]" 1
442 1 45 LYS H 1 54 ILE MG 3.200 . 4.800 3.639 3.355 3.902 . 0 0 "[ . 1]" 1
443 1 45 LYS HA 1 46 THR H 2.900 . 4.400 2.182 2.136 2.213 . 0 0 "[ . 1]" 1
444 1 45 LYS HB2 1 46 THR H 4.300 2.100 6.000 4.375 4.227 4.472 . 0 0 "[ . 1]" 1
445 1 45 LYS HB2 1 53 LYS H 4.300 2.200 6.000 3.775 3.464 4.215 . 0 0 "[ . 1]" 1
446 1 45 LYS HB3 1 46 THR H 4.700 2.300 6.000 3.586 3.175 3.839 . 0 0 "[ . 1]" 1
447 1 45 LYS HB3 1 53 LYS H 3.900 . 5.900 4.701 4.468 4.961 . 0 0 "[ . 1]" 1
448 1 46 THR H 1 46 THR HB 3.600 . 5.400 3.513 3.404 3.609 . 0 0 "[ . 1]" 1
449 1 46 THR HA 1 46 THR HB 3.000 . 4.500 2.403 2.363 2.448 . 0 0 "[ . 1]" 1
450 1 46 THR HA 1 51 ALA MB 3.100 . 4.700 3.238 2.852 3.333 . 0 0 "[ . 1]" 1
451 1 46 THR HB 1 51 ALA MB 3.100 . 4.300 2.901 2.484 3.519 . 0 0 "[ . 1]" 1
452 1 46 THR HB 1 52 THR H 3.200 2.100 4.800 4.119 3.759 4.473 . 0 0 "[ . 1]" 1
453 1 49 ASN HA 1 49 ASN HB3 2.700 . 4.000 2.665 2.420 3.031 . 0 0 "[ . 1]" 1
454 1 49 ASN HA 1 50 SER H 2.800 . 4.200 3.314 2.998 3.600 . 0 0 "[ . 1]" 1
455 1 49 ASN HA 1 51 ALA H 2.700 . 4.100 3.844 3.202 4.719 0.619 6 2 "[ -+ 1]" 1
456 1 49 ASN HB3 1 49 ASN HD22 3.800 . 5.700 3.802 3.484 4.076 . 0 0 "[ . 1]" 1
457 1 49 ASN HB3 1 50 SER H 4.400 2.200 6.000 3.851 2.642 4.404 . 0 0 "[ . 1]" 1
458 1 50 SER HA 1 51 ALA H 3.100 . 4.700 3.031 3.023 3.036 . 0 0 "[ . 1]" 1
459 1 50 SER HB2 1 51 ALA H 3.900 . 5.800 4.027 3.755 4.428 . 0 0 "[ . 1]" 1
460 1 50 SER HB3 1 51 ALA H 3.800 . 5.700 4.159 3.814 4.411 . 0 0 "[ . 1]" 1
461 1 51 ALA H 1 51 ALA MB 2.900 . 4.400 2.429 2.089 2.661 . 0 0 "[ . 1]" 1
462 1 51 ALA HA 1 52 THR H 2.600 . 3.900 2.266 2.206 2.371 . 0 0 "[ . 1]" 1
463 1 51 ALA HA 1 52 THR HG1 3.900 . 5.800 3.755 3.249 4.101 . 0 0 "[ . 1]" 1
464 1 51 ALA HA 1 72 ASP HA 3.200 . 4.800 2.541 1.884 3.463 . 0 0 "[ . 1]" 1
465 1 51 ALA MB 1 52 THR H 3.100 . 4.600 2.669 2.364 2.876 . 0 0 "[ . 1]" 1
466 1 51 ALA MB 1 52 THR HA 2.900 . 4.400 3.055 3.042 3.067 . 0 0 "[ . 1]" 1
467 1 52 THR H 1 52 THR HA 2.900 . 4.300 2.737 2.730 2.747 . 0 0 "[ . 1]" 1
468 1 52 THR H 1 52 THR HB 3.100 . 4.600 3.275 3.043 3.431 . 0 0 "[ . 1]" 1
469 1 52 THR H 1 52 THR HG1 4.200 2.100 6.000 2.868 2.185 3.473 . 0 0 "[ . 1]" 1
470 1 52 THR H 1 71 ASN H 4.300 2.100 6.000 4.179 3.248 5.554 . 0 0 "[ . 1]" 1
471 1 52 THR H 1 72 ASP HA 2.800 . 4.200 2.947 1.841 3.700 . 0 0 "[ . 1]" 1
472 1 52 THR HA 1 52 THR HB 3.000 . 4.500 2.933 2.837 3.023 . 0 0 "[ . 1]" 1
473 1 52 THR HA 1 52 THR HG1 3.000 . 4.200 2.770 2.699 2.812 . 0 0 "[ . 1]" 1
474 1 52 THR HA 1 53 LYS H 2.800 . 4.200 2.225 2.187 2.306 . 0 0 "[ . 1]" 1
475 1 52 THR HB 1 52 THR HG1 2.800 . 4.200 2.581 2.372 2.819 . 0 0 "[ . 1]" 1
476 1 52 THR HB 1 53 LYS H 4.000 . 6.000 4.101 3.793 4.202 . 0 0 "[ . 1]" 1
477 1 52 THR HB 1 54 ILE MG 3.700 . 5.400 3.421 2.813 3.984 . 0 0 "[ . 1]" 1
478 1 52 THR HG1 1 74 LEU HA 4.000 . 6.000 4.566 4.558 4.573 . 0 0 "[ . 1]" 1
479 1 53 LYS H 1 53 LYS HB2 3.600 . 5.400 2.803 2.425 3.187 . 0 0 "[ . 1]" 1
480 1 53 LYS H 1 53 LYS HB3 3.500 . 5.200 2.987 2.470 3.624 . 0 0 "[ . 1]" 1
481 1 53 LYS HA 1 54 ILE H 2.800 . 4.200 2.135 2.084 2.215 . 0 0 "[ . 1]" 1
482 1 53 LYS HA 1 54 ILE MG 3.700 2.100 5.600 3.904 3.882 3.917 . 0 0 "[ . 1]" 1
483 1 53 LYS HA 1 70 ARG HA 1.800 . 2.700 1.952 1.844 2.013 . 0 0 "[ . 1]" 1
484 1 53 LYS HA 1 70 ARG HB3 3.700 . 5.100 4.317 3.768 4.929 . 0 0 "[ . 1]" 1
485 1 53 LYS HA 1 71 ASN H 3.400 . 5.100 2.809 2.330 3.276 . 0 0 "[ . 1]" 1
486 1 54 ILE H 1 54 ILE HB 3.300 . 4.900 3.667 3.620 3.733 . 0 0 "[ . 1]" 1
487 1 54 ILE H 1 54 ILE MG 3.300 . 4.500 3.147 3.142 3.166 . 0 0 "[ . 1]" 1
488 1 54 ILE H 1 69 GLU H 3.600 . 4.400 3.086 2.736 3.356 . 0 0 "[ . 1]" 1
489 1 54 ILE H 1 70 ARG HA 4.000 . 6.000 3.110 2.835 3.285 . 0 0 "[ . 1]" 1
490 1 54 ILE HA 1 54 ILE MG 2.700 . 4.000 2.079 2.023 2.110 . 0 0 "[ . 1]" 1
491 1 54 ILE HA 1 55 GLU H 2.700 . 4.000 2.258 2.186 2.305 . 0 0 "[ . 1]" 1
492 1 54 ILE HB 1 55 GLU H 3.600 . 5.400 2.449 2.283 2.565 . 0 0 "[ . 1]" 1
493 1 54 ILE HB 1 77 GLY QA 4.000 . 5.400 4.044 4.036 4.055 . 0 0 "[ . 1]" 1
494 1 54 ILE MG 1 55 GLU H 3.100 . 4.700 3.051 3.045 3.067 . 0 0 "[ . 1]" 1
495 1 54 ILE MG 1 70 ARG HA 4.000 . 6.000 5.292 5.151 5.518 . 0 0 "[ . 1]" 1
496 1 54 ILE MG 1 74 LEU HA 3.000 . 4.500 2.444 2.132 2.785 . 0 0 "[ . 1]" 1
497 1 54 ILE MG 1 77 GLY QA 3.200 . 4.800 3.560 3.215 3.969 . 0 0 "[ . 1]" 1
498 1 54 ILE MG 1 78 ILE H 3.500 . 5.200 3.721 3.344 4.355 . 0 0 "[ . 1]" 1
499 1 54 ILE MG 1 78 ILE HA 2.900 . 4.400 4.900 4.518 5.642 1.242 10 4 "[* * - +]" 1
500 1 55 GLU H 1 55 GLU HB2 3.600 . 5.300 2.932 2.601 3.681 . 0 0 "[ . 1]" 1
501 1 55 GLU H 1 55 GLU HB3 3.700 . 5.500 3.593 3.014 3.675 . 0 0 "[ . 1]" 1
502 1 55 GLU H 1 56 VAL H 2.400 . 3.600 3.835 3.725 4.196 0.596 10 1 "[ . +]" 1
503 1 55 GLU H 1 56 VAL QG 3.400 . 5.100 3.918 3.724 4.202 . 0 0 "[ . 1]" 1
504 1 55 GLU HA 1 56 VAL H 2.700 . 4.000 2.136 2.044 2.221 . 0 0 "[ . 1]" 1
505 1 55 GLU HA 1 68 GLU HA 2.500 . 2.900 2.002 1.973 2.020 . 0 0 "[ . 1]" 1
506 1 55 GLU HA 1 69 GLU H 4.000 . 6.000 3.495 3.158 3.690 . 0 0 "[ . 1]" 1
507 1 55 GLU HB2 1 56 VAL H 3.400 . 5.100 4.210 3.595 4.440 . 0 0 "[ . 1]" 1
508 1 55 GLU HB2 1 68 GLU HA 3.100 . 4.600 4.271 3.713 4.608 0.008 2 0 "[ . 1]" 1
509 1 55 GLU HB3 1 56 VAL H 3.600 . 5.400 3.713 3.608 4.147 . 0 0 "[ . 1]" 1
510 1 55 GLU HB3 1 68 GLU HA 3.400 . 4.900 3.823 2.590 4.774 . 0 0 "[ . 1]" 1
511 1 56 VAL H 1 56 VAL HB 3.300 . 4.900 3.518 3.392 3.668 . 0 0 "[ . 1]" 1
512 1 56 VAL H 1 56 VAL QG 3.700 . 5.600 1.831 1.794 2.029 0.106 1 0 "[ . 1]" 1
513 1 56 VAL H 1 67 ALA H 3.000 . 4.000 2.448 2.329 2.567 . 0 0 "[ . 1]" 1
514 1 56 VAL H 1 68 GLU HA 3.900 . 5.900 3.494 3.350 3.704 . 0 0 "[ . 1]" 1
515 1 56 VAL HA 1 56 VAL QG 3.100 . 4.400 2.603 2.592 2.611 . 0 0 "[ . 1]" 1
516 1 56 VAL HA 1 57 THR H 2.700 . 4.100 2.104 2.066 2.140 . 0 0 "[ . 1]" 1
517 1 56 VAL HB 1 57 THR H 3.500 . 5.300 3.504 3.342 3.748 . 0 0 "[ . 1]" 1
518 1 56 VAL HB 1 67 ALA H 4.100 . 6.000 4.266 4.256 4.294 . 0 0 "[ . 1]" 1
519 1 56 VAL HB 1 78 ILE HA 3.600 . 5.400 3.988 3.969 4.018 . 0 0 "[ . 1]" 1
520 1 56 VAL QG 1 57 THR H 3.300 . 5.000 2.436 2.360 2.536 . 0 0 "[ . 1]" 1
521 1 56 VAL QG 1 57 THR HA 3.600 . 5.400 2.558 2.459 2.725 . 0 0 "[ . 1]" 1
522 1 56 VAL QG 1 58 ILE H 3.600 . 5.400 2.722 2.552 2.915 . 0 0 "[ . 1]" 1
523 1 56 VAL QG 1 58 ILE HB 3.200 . 4.800 2.887 2.738 2.962 . 0 0 "[ . 1]" 1
524 1 56 VAL QG 1 65 LEU HB2 3.300 . 4.900 3.537 3.526 3.547 . 0 0 "[ . 1]" 1
525 1 56 VAL QG 1 65 LEU HB3 3.200 . 4.800 3.380 3.354 3.401 . 0 0 "[ . 1]" 1
526 1 56 VAL QG 1 66 ARG H 4.500 2.300 6.000 3.850 3.603 4.086 . 0 0 "[ . 1]" 1
527 1 56 VAL QG 1 81 ILE H 3.900 . 5.500 3.535 3.463 3.605 . 0 0 "[ . 1]" 1
528 1 57 THR H 1 57 THR HA 2.900 . 4.400 2.904 2.885 2.948 . 0 0 "[ . 1]" 1
529 1 57 THR H 1 57 THR HB 4.100 2.100 5.100 3.047 3.027 3.067 . 0 0 "[ . 1]" 1
530 1 57 THR H 1 57 THR HG1 4.300 2.200 5.400 3.128 2.838 3.352 . 0 0 "[ . 1]" 1
531 1 57 THR HA 1 57 THR HG1 2.900 . 4.400 2.553 2.430 2.897 . 0 0 "[ . 1]" 1
532 1 57 THR HA 1 58 ILE H 2.800 2.200 4.200 2.067 2.032 2.125 0.168 3 0 "[ . 1]" 1
533 1 57 THR HA 1 58 ILE HB 3.800 2.100 5.700 4.088 4.085 4.092 . 0 0 "[ . 1]" 1
534 1 57 THR HA 1 66 ARG HA 3.100 . 3.100 2.026 1.972 2.045 . 0 0 "[ . 1]" 1
535 1 57 THR HA 1 66 ARG HB3 3.600 . 5.400 4.104 2.798 4.467 . 0 0 "[ . 1]" 1
536 1 57 THR HA 1 67 ALA H 3.700 . 5.500 3.700 3.685 3.713 . 0 0 "[ . 1]" 1
537 1 57 THR HB 1 58 ILE H 3.600 . 5.400 4.201 4.188 4.213 . 0 0 "[ . 1]" 1
538 1 57 THR HB 1 64 THR MG 3.600 . 5.100 4.412 4.150 4.686 . 0 0 "[ . 1]" 1
539 1 57 THR HG1 1 58 ILE H 3.800 . 4.800 4.565 4.443 4.848 0.048 9 0 "[ . 1]" 1
540 1 57 THR HG1 1 66 ARG HA 3.600 . 5.400 3.061 2.820 3.778 . 0 0 "[ . 1]" 1
541 1 57 THR HG1 1 66 ARG HB3 3.400 . 4.900 4.370 2.916 5.062 0.162 9 0 "[ . 1]" 1
542 1 57 THR HG1 1 66 ARG HD2 3.700 . 5.600 3.744 2.024 5.396 . 0 0 "[ . 1]" 1
543 1 58 ILE H 1 58 ILE HB 3.500 . 5.200 2.265 2.210 2.319 . 0 0 "[ . 1]" 1
544 1 58 ILE H 1 65 LEU H 4.200 2.200 6.000 3.064 2.935 3.233 . 0 0 "[ . 1]" 1
545 1 58 ILE H 1 65 LEU HB2 3.700 . 5.500 3.403 3.231 3.566 . 0 0 "[ . 1]" 1
546 1 58 ILE H 1 66 ARG HA 4.400 2.200 5.400 3.381 3.189 3.538 . 0 0 "[ . 1]" 1
547 1 58 ILE HB 1 65 LEU H 3.600 . 5.400 3.204 2.973 3.433 . 0 0 "[ . 1]" 1
548 1 58 ILE HB 1 65 LEU HB2 3.200 . 4.800 2.617 2.259 2.982 . 0 0 "[ . 1]" 1
549 1 58 ILE HB 1 81 ILE MD 3.100 . 4.600 3.984 2.797 5.095 0.495 10 0 "[ . 1]" 1
550 1 59 PRO HA 1 60 LEU H 2.600 . 3.900 2.260 2.217 2.297 . 0 0 "[ . 1]" 1
551 1 59 PRO HA 1 65 LEU H 3.000 . 4.500 3.746 3.613 3.852 . 0 0 "[ . 1]" 1
552 1 59 PRO HB2 1 60 LEU H 3.500 . 5.300 4.241 4.157 4.288 . 0 0 "[ . 1]" 1
553 1 59 PRO HB2 1 64 THR MG 2.700 . 4.100 3.852 3.788 3.916 . 0 0 "[ . 1]" 1
554 1 60 LEU H 1 60 LEU HA 2.700 . 4.100 2.907 2.880 2.926 . 0 0 "[ . 1]" 1
555 1 60 LEU H 1 60 LEU QB 3.400 2.200 5.100 2.275 2.169 2.396 0.031 9 0 "[ . 1]" 1
556 1 60 LEU H 1 63 VAL H 4.500 2.200 6.000 3.838 3.671 3.973 . 0 0 "[ . 1]" 1
557 1 60 LEU H 1 63 VAL MG1 4.100 . 6.000 3.901 3.382 4.054 . 0 0 "[ . 1]" 1
558 1 60 LEU H 1 64 THR HA 2.600 . 3.900 2.491 2.337 2.674 . 0 0 "[ . 1]" 1
559 1 60 LEU H 1 64 THR MG 4.300 2.100 6.000 3.961 3.857 4.071 . 0 0 "[ . 1]" 1
560 1 60 LEU H 1 65 LEU H 4.400 2.200 6.000 3.883 3.605 4.257 . 0 0 "[ . 1]" 1
561 1 60 LEU HA 1 61 LYS H 2.600 . 3.900 2.663 2.606 2.733 . 0 0 "[ . 1]" 1
562 1 60 LEU QB 1 61 LYS H 3.200 . 4.500 2.173 2.028 2.265 . 0 0 "[ . 1]" 1
563 1 60 LEU QB 1 63 VAL H 3.400 3.000 5.100 2.435 2.156 2.749 0.844 3 6 "[-*+*.** 1]" 1
564 1 60 LEU QB 1 63 VAL MG1 3.100 . 4.600 2.921 2.121 3.123 . 0 0 "[ . 1]" 1
565 1 61 LYS H 1 61 LYS HB3 2.900 . 4.300 3.474 2.731 3.633 . 0 0 "[ . 1]" 1
566 1 61 LYS HB3 1 62 ASN HA 3.200 . 4.800 4.013 3.402 4.172 . 0 0 "[ . 1]" 1
567 1 62 ASN HA 1 62 ASN HB2 2.600 . 3.900 2.681 2.399 2.922 . 0 0 "[ . 1]" 1
568 1 62 ASN HA 1 62 ASN HB3 2.800 . 4.200 2.725 2.422 2.923 . 0 0 "[ . 1]" 1
569 1 62 ASN HA 1 62 ASN HD21 2.500 . 3.700 1.931 1.680 2.298 0.020 2 0 "[ . 1]" 1
570 1 62 ASN HA 1 62 ASN HD22 2.600 . 3.900 3.428 3.187 3.584 . 0 0 "[ . 1]" 1
571 1 62 ASN HA 1 63 VAL H 2.900 . 4.300 3.511 3.451 3.542 . 0 0 "[ . 1]" 1
572 1 62 ASN HB2 1 62 ASN HD21 4.000 . 6.000 3.142 2.803 3.503 . 0 0 "[ . 1]" 1
573 1 63 VAL H 1 63 VAL HB 3.200 . 4.800 3.140 3.131 3.148 . 0 0 "[ . 1]" 1
574 1 63 VAL H 1 63 VAL MG1 3.300 . 5.000 2.243 2.142 2.299 . 0 0 "[ . 1]" 1
575 1 63 VAL H 1 63 VAL MG2 4.100 . 6.000 3.935 3.908 3.950 . 0 0 "[ . 1]" 1
576 1 63 VAL HA 1 63 VAL HB 2.900 . 4.400 2.459 2.447 2.473 . 0 0 "[ . 1]" 1
577 1 63 VAL HA 1 63 VAL MG1 3.500 . 5.000 3.210 3.205 3.213 . 0 0 "[ . 1]" 1
578 1 63 VAL HA 1 64 THR H 2.800 . 4.200 2.267 2.216 2.313 . 0 0 "[ . 1]" 1
579 1 63 VAL HA 1 64 THR HB 4.300 2.100 6.000 4.578 4.508 4.654 . 0 0 "[ . 1]" 1
580 1 63 VAL HB 1 64 THR H 3.900 . 5.800 3.934 3.929 3.940 . 0 0 "[ . 1]" 1
581 1 63 VAL MG1 1 64 THR H 5.000 2.500 6.000 3.562 3.494 3.647 . 0 0 "[ . 1]" 1
582 1 63 VAL MG2 1 64 THR H 3.400 . 5.100 2.081 2.016 2.130 . 0 0 "[ . 1]" 1
583 1 63 VAL MG2 1 65 LEU HG 3.300 . 4.900 3.383 3.185 3.468 . 0 0 "[ . 1]" 1
584 1 63 VAL MG2 1 89 VAL H 3.700 . 5.500 5.008 4.473 5.287 . 0 0 "[ . 1]" 1
585 1 64 THR H 1 64 THR HA 2.800 . 4.200 2.952 2.943 2.959 . 0 0 "[ . 1]" 1
586 1 64 THR H 1 64 THR HB 3.300 . 4.900 2.568 2.534 2.701 . 0 0 "[ . 1]" 1
587 1 64 THR H 1 64 THR MG 4.800 2.400 6.000 3.823 3.808 3.882 . 0 0 "[ . 1]" 1
588 1 64 THR HA 1 65 LEU H 2.800 . 4.200 2.225 2.209 2.244 . 0 0 "[ . 1]" 1
589 1 64 THR MG 1 65 LEU H 3.400 . 5.100 3.058 2.875 3.277 . 0 0 "[ . 1]" 1
590 1 64 THR MG 1 66 ARG HB3 3.400 . 5.100 4.632 3.631 4.986 . 0 0 "[ . 1]" 1
591 1 65 LEU H 1 65 LEU HB2 3.800 . 5.700 2.477 2.450 2.503 . 0 0 "[ . 1]" 1
592 1 65 LEU H 1 65 LEU HB3 3.000 . 4.500 3.661 3.646 3.675 . 0 0 "[ . 1]" 1
593 1 65 LEU H 1 65 LEU MD2 3.900 . 5.900 4.378 4.278 4.466 . 0 0 "[ . 1]" 1
594 1 65 LEU H 1 65 LEU HG 3.300 . 5.000 3.756 3.592 3.980 . 0 0 "[ . 1]" 1
595 1 65 LEU HA 1 65 LEU MD2 3.000 . 4.100 3.465 3.383 3.564 . 0 0 "[ . 1]" 1
596 1 65 LEU HA 1 66 ARG H 2.600 . 3.900 2.191 2.012 2.347 . 0 0 "[ . 1]" 1
597 1 65 LEU HA 1 66 ARG HB3 4.000 . 6.000 4.287 4.028 4.415 . 0 0 "[ . 1]" 1
598 1 65 LEU HB2 1 66 ARG H 3.600 . 5.400 3.881 3.594 4.152 . 0 0 "[ . 1]" 1
599 1 65 LEU HB2 1 81 ILE MD 3.300 . 4.700 2.753 1.842 3.497 . 0 0 "[ . 1]" 1
600 1 65 LEU HB3 1 66 ARG H 3.800 . 5.700 2.626 2.238 3.055 . 0 0 "[ . 1]" 1
601 1 65 LEU MD2 1 66 ARG H 4.100 2.100 6.000 3.811 3.572 4.060 . 0 0 "[ . 1]" 1
602 1 65 LEU MD2 1 85 LEU H 3.900 . 5.800 3.118 2.913 3.278 . 0 0 "[ . 1]" 1
603 1 65 LEU MD2 1 85 LEU HA 2.800 . 4.200 1.740 1.685 1.792 0.015 3 0 "[ . 1]" 1
604 1 65 LEU MD2 1 85 LEU HB3 3.400 . 5.100 3.623 3.534 3.726 . 0 0 "[ . 1]" 1
605 1 65 LEU MD2 1 88 GLN HB3 3.300 . 4.900 2.524 1.991 2.930 . 0 0 "[ . 1]" 1
606 1 65 LEU MD2 1 89 VAL H 4.100 2.100 6.000 3.468 3.349 3.667 . 0 0 "[ . 1]" 1
607 1 65 LEU MD2 1 89 VAL HA 3.300 . 4.900 4.978 4.882 5.160 0.260 6 0 "[ . 1]" 1
608 1 65 LEU HG 1 66 ARG H 4.500 2.200 5.200 3.764 3.590 3.798 . 0 0 "[ . 1]" 1
609 1 66 ARG H 1 66 ARG HB3 3.200 . 4.800 2.688 2.336 3.130 . 0 0 "[ . 1]" 1
610 1 66 ARG H 1 81 ILE MD 3.700 . 5.600 3.159 2.470 4.315 . 0 0 "[ . 1]" 1
611 1 66 ARG HA 1 66 ARG HB3 3.000 . 4.500 2.941 2.455 3.025 . 0 0 "[ . 1]" 1
612 1 66 ARG HA 1 66 ARG HD2 3.600 . 5.400 4.257 2.677 5.162 . 0 0 "[ . 1]" 1
613 1 66 ARG HA 1 66 ARG HG2 3.600 . 5.100 3.360 2.524 4.141 . 0 0 "[ . 1]" 1
614 1 66 ARG HA 1 67 ALA H 2.600 . 3.900 2.136 2.090 2.167 . 0 0 "[ . 1]" 1
615 1 66 ARG HB3 1 66 ARG HD2 3.100 . 4.600 3.444 2.355 4.095 . 0 0 "[ . 1]" 1
616 1 66 ARG HB3 1 66 ARG HG2 2.900 . 4.200 2.493 2.213 3.004 . 0 0 "[ . 1]" 1
617 1 66 ARG HB3 1 67 ALA H 3.600 . 5.100 4.035 3.916 4.269 . 0 0 "[ . 1]" 1
618 1 66 ARG HG2 1 67 ALA H 3.800 . 5.700 3.474 2.553 4.969 . 0 0 "[ . 1]" 1
619 1 67 ALA H 1 67 ALA MB 3.300 . 4.800 2.747 2.675 2.821 . 0 0 "[ . 1]" 1
620 1 67 ALA H 1 81 ILE MD 4.300 2.200 6.000 3.986 3.550 4.640 . 0 0 "[ . 1]" 1
621 1 67 ALA HA 1 68 GLU H 2.600 . 3.900 2.155 2.076 2.397 . 0 0 "[ . 1]" 1
622 1 67 ALA HA 1 68 GLU HG2 3.900 . 5.800 3.590 3.368 3.849 . 0 0 "[ . 1]" 1
623 1 67 ALA HA 1 68 GLU HG3 4.600 2.300 6.000 4.612 4.333 4.759 . 0 0 "[ . 1]" 1
624 1 67 ALA MB 1 68 GLU H 3.300 . 5.000 3.083 2.332 3.254 . 0 0 "[ . 1]" 1
625 1 67 ALA MB 1 68 GLU HA 4.000 . 5.500 4.082 3.763 4.180 . 0 0 "[ . 1]" 1
626 1 67 ALA MB 1 69 GLU H 5.900 2.900 6.000 4.529 3.756 5.124 . 0 0 "[ . 1]" 1
627 1 67 ALA MB 1 77 GLY QA 3.300 . 5.000 4.148 4.014 4.390 . 0 0 "[ . 1]" 1
628 1 67 ALA MB 1 78 ILE HA 3.700 . 5.600 4.095 4.087 4.109 . 0 0 "[ . 1]" 1
629 1 67 ALA MB 1 81 ILE H 3.100 . 4.600 3.253 3.198 3.282 . 0 0 "[ . 1]" 1
630 1 67 ALA MB 1 81 ILE HA 3.200 . 4.800 2.997 2.671 3.367 . 0 0 "[ . 1]" 1
631 1 68 GLU H 1 68 GLU HA 4.400 2.200 5.400 2.936 2.891 2.954 . 0 0 "[ . 1]" 1
632 1 68 GLU H 1 68 GLU HG2 2.900 . 4.400 2.223 1.966 2.740 . 0 0 "[ . 1]" 1
633 1 68 GLU H 1 68 GLU HG3 2.900 . 4.400 2.705 2.462 2.760 . 0 0 "[ . 1]" 1
634 1 68 GLU H 1 69 GLU H 6.000 3.000 6.000 4.082 3.322 4.336 . 0 0 "[ . 1]" 1
635 1 68 GLU HA 1 68 GLU HB3 3.000 . 4.500 2.363 2.338 2.413 . 0 0 "[ . 1]" 1
636 1 68 GLU HA 1 69 GLU H 2.700 . 4.000 2.202 2.145 2.347 . 0 0 "[ . 1]" 1
637 1 68 GLU HB3 1 69 GLU H 3.200 . 4.800 4.299 3.937 4.556 . 0 0 "[ . 1]" 1
638 1 69 GLU H 1 69 GLU HB3 3.300 . 4.900 3.349 2.872 3.898 . 0 0 "[ . 1]" 1
639 1 69 GLU HA 1 70 ARG H 2.600 . 3.900 2.256 2.141 2.324 . 0 0 "[ . 1]" 1
640 1 69 GLU HB3 1 70 ARG H 3.500 . 5.200 3.464 2.563 4.153 . 0 0 "[ . 1]" 1
641 1 70 ARG H 1 70 ARG HB2 3.000 . 4.500 3.033 2.435 3.741 . 0 0 "[ . 1]" 1
642 1 70 ARG H 1 70 ARG HB3 3.100 . 4.600 3.004 2.520 3.671 . 0 0 "[ . 1]" 1
643 1 70 ARG H 1 71 ASN H 5.800 2.900 6.000 3.943 3.445 4.454 . 0 0 "[ . 1]" 1
644 1 70 ARG HA 1 71 ASN H 2.700 . 4.000 2.274 2.089 2.467 . 0 0 "[ . 1]" 1
645 1 71 ASN H 1 71 ASN QB 3.600 . 5.400 2.611 2.311 3.041 . 0 0 "[ . 1]" 1
646 1 71 ASN HA 1 72 ASP H 2.600 . 3.900 2.447 2.144 2.848 . 0 0 "[ . 1]" 1
647 1 71 ASN QB 1 73 ASP H 2.900 . 4.300 3.479 2.199 6.409 2.109 10 1 "[ . +]" 1
648 1 71 ASN QB 1 77 GLY H 4.000 2.100 6.000 4.501 3.294 9.899 3.899 10 1 "[ . +]" 1
649 1 72 ASP H 1 72 ASP HA 2.500 . 3.700 2.835 2.705 2.928 . 0 0 "[ . 1]" 1
650 1 72 ASP H 1 72 ASP HB2 3.800 . 5.700 2.819 2.380 3.643 . 0 0 "[ . 1]" 1
651 1 72 ASP H 1 72 ASP HB3 3.200 . 4.800 2.954 2.502 3.663 . 0 0 "[ . 1]" 1
652 1 72 ASP H 1 73 ASP H 3.500 . 5.300 2.685 2.328 3.046 . 0 0 "[ . 1]" 1
653 1 72 ASP HA 1 73 ASP H 3.800 . 5.700 3.455 2.936 3.563 . 0 0 "[ . 1]" 1
654 1 72 ASP HB2 1 73 ASP H 4.400 2.200 6.000 3.496 2.274 4.116 . 0 0 "[ . 1]" 1
655 1 72 ASP HB3 1 73 ASP H 2.900 . 4.300 3.119 1.744 4.374 0.074 5 0 "[ . 1]" 1
656 1 73 ASP H 1 73 ASP HB2 2.900 . 4.300 2.594 2.342 3.396 . 0 0 "[ . 1]" 1
657 1 73 ASP H 1 73 ASP HB3 3.100 . 4.600 3.468 2.955 3.613 . 0 0 "[ . 1]" 1
658 1 73 ASP H 1 76 ALA MB 4.100 . 5.700 3.197 2.934 3.633 . 0 0 "[ . 1]" 1
659 1 73 ASP HA 1 74 LEU H 2.600 . 3.900 1.927 1.885 1.955 . 0 0 "[ . 1]" 1
660 1 73 ASP HA 1 74 LEU HA 3.900 . 5.800 4.293 4.275 4.302 . 0 0 "[ . 1]" 1
661 1 73 ASP HA 1 74 LEU HB2 3.400 . 5.100 4.232 4.136 4.296 . 0 0 "[ . 1]" 1
662 1 73 ASP HA 1 75 TYR H 6.000 3.000 6.000 3.339 3.200 3.591 . 0 0 "[ . 1]" 1
663 1 73 ASP HB2 1 74 LEU H 5.400 2.700 6.000 4.377 4.264 4.426 . 0 0 "[ . 1]" 1
664 1 73 ASP HB2 1 75 TYR H 4.100 . 6.000 4.267 4.062 4.696 . 0 0 "[ . 1]" 1
665 1 73 ASP HB2 1 76 ALA H 4.000 . 6.000 3.346 3.064 4.372 . 0 0 "[ . 1]" 1
666 1 73 ASP HB2 1 76 ALA MB 3.600 . 4.500 2.265 1.884 3.408 . 0 0 "[ . 1]" 1
667 1 73 ASP HB3 1 74 LEU H 6.000 3.000 6.000 3.799 3.609 4.334 . 0 0 "[ . 1]" 1
668 1 73 ASP HB3 1 75 TYR H 3.100 . 4.600 2.932 2.454 4.222 . 0 0 "[ . 1]" 1
669 1 73 ASP HB3 1 76 ALA H 3.200 . 4.800 2.409 2.086 3.096 . 0 0 "[ . 1]" 1
670 1 73 ASP HB3 1 76 ALA MB 2.900 . 4.300 2.381 2.006 2.719 . 0 0 "[ . 1]" 1
671 1 74 LEU H 1 74 LEU HB2 3.500 . 5.200 2.411 2.363 2.445 . 0 0 "[ . 1]" 1
672 1 74 LEU H 1 74 LEU HB3 2.900 . 4.300 2.251 2.206 2.284 . 0 0 "[ . 1]" 1
673 1 74 LEU H 1 74 LEU MD1 4.000 . 6.000 4.068 4.051 4.079 . 0 0 "[ . 1]" 1
674 1 74 LEU H 1 75 TYR H 3.600 . 5.300 2.961 2.859 3.084 . 0 0 "[ . 1]" 1
675 1 74 LEU HA 1 74 LEU MD1 3.300 . 4.500 2.372 2.341 2.415 . 0 0 "[ . 1]" 1
676 1 74 LEU HA 1 75 TYR H 3.500 . 5.300 3.498 3.470 3.513 . 0 0 "[ . 1]" 1
677 1 74 LEU HA 1 77 GLY H 4.000 . 4.800 3.424 3.407 3.447 . 0 0 "[ . 1]" 1
678 1 74 LEU HA 1 77 GLY QA 3.800 . 5.500 3.790 3.657 3.883 . 0 0 "[ . 1]" 1
679 1 74 LEU HA 1 78 ILE H 4.300 2.200 6.000 4.005 3.936 4.071 . 0 0 "[ . 1]" 1
680 1 74 LEU HB2 1 74 LEU MD1 3.300 . 4.600 2.483 2.427 2.520 . 0 0 "[ . 1]" 1
681 1 74 LEU HB2 1 75 TYR H 4.000 . 5.900 3.667 3.604 3.735 . 0 0 "[ . 1]" 1
682 1 74 LEU HB2 1 75 TYR HA 3.900 . 5.800 5.162 5.116 5.207 . 0 0 "[ . 1]" 1
683 1 74 LEU HB3 1 74 LEU MD1 3.000 . 4.500 3.194 3.180 3.207 . 0 0 "[ . 1]" 1
684 1 74 LEU HB3 1 75 TYR H 3.500 . 5.300 2.161 2.058 2.250 . 0 0 "[ . 1]" 1
685 1 74 LEU MD1 1 75 TYR H 5.400 2.700 6.000 3.886 3.846 3.930 . 0 0 "[ . 1]" 1
686 1 74 LEU MD1 1 75 TYR HA 3.400 . 5.000 3.446 3.433 3.455 . 0 0 "[ . 1]" 1
687 1 74 LEU MD1 1 78 ILE H 3.500 . 5.200 3.213 3.018 3.421 . 0 0 "[ . 1]" 1
688 1 74 LEU MD1 1 78 ILE HB 3.400 . 5.100 3.261 2.532 3.429 . 0 0 "[ . 1]" 1
689 1 75 TYR H 1 75 TYR HB2 3.100 . 4.600 2.330 2.195 2.393 . 0 0 "[ . 1]" 1
690 1 75 TYR H 1 75 TYR HB3 3.500 . 5.200 3.435 2.839 3.571 . 0 0 "[ . 1]" 1
691 1 75 TYR H 1 75 TYR QE 3.700 . 5.500 4.953 4.558 5.896 0.396 8 0 "[ . 1]" 1
692 1 75 TYR H 1 76 ALA H 2.800 . 4.200 2.351 2.326 2.375 . 0 0 "[ . 1]" 1
693 1 75 TYR H 1 76 ALA MB 3.700 . 5.400 3.993 3.988 3.995 . 0 0 "[ . 1]" 1
694 1 75 TYR H 1 77 GLY H 3.400 . 5.100 3.833 3.767 3.901 . 0 0 "[ . 1]" 1
695 1 75 TYR HA 1 75 TYR QD 3.600 . 5.400 1.942 1.771 2.538 0.029 3 0 "[ . 1]" 1
696 1 75 TYR HA 1 75 TYR QE 3.600 . 5.400 3.973 3.954 3.998 . 0 0 "[ . 1]" 1
697 1 75 TYR HA 1 76 ALA H 4.400 2.200 5.700 3.352 3.279 3.387 . 0 0 "[ . 1]" 1
698 1 75 TYR HA 1 78 ILE H 3.000 . 4.500 3.437 3.035 3.607 . 0 0 "[ . 1]" 1
699 1 75 TYR HA 1 78 ILE HB 3.500 . 5.300 2.751 2.364 2.956 . 0 0 "[ . 1]" 1
700 1 75 TYR HA 1 79 ASP H 3.800 . 5.700 3.720 3.388 3.976 . 0 0 "[ . 1]" 1
701 1 75 TYR HB2 1 76 ALA H 3.200 . 4.800 3.356 3.012 3.920 . 0 0 "[ . 1]" 1
702 1 75 TYR HB3 1 75 TYR QD 4.200 2.100 6.000 2.553 2.095 2.652 0.005 8 0 "[ . 1]" 1
703 1 75 TYR HB3 1 76 ALA H 3.800 . 5.700 3.807 3.238 4.039 . 0 0 "[ . 1]" 1
704 1 75 TYR QD 1 78 ILE HB 3.500 . 5.200 3.527 3.200 3.846 . 0 0 "[ . 1]" 1
705 1 76 ALA H 1 76 ALA MB 2.900 . 4.200 2.234 2.210 2.244 . 0 0 "[ . 1]" 1
706 1 76 ALA H 1 77 GLY H 3.400 . 4.900 2.187 2.176 2.198 . 0 0 "[ . 1]" 1
707 1 76 ALA H 1 77 GLY QA 4.100 . 6.000 4.114 4.110 4.122 . 0 0 "[ . 1]" 1
708 1 76 ALA H 1 78 ILE H 3.400 . 5.100 3.950 3.892 4.022 . 0 0 "[ . 1]" 1
709 1 76 ALA HA 1 77 GLY H 4.800 2.400 6.000 3.501 3.479 3.519 . 0 0 "[ . 1]" 1
710 1 76 ALA HA 1 79 ASP H 3.800 . 5.100 3.233 3.063 3.343 . 0 0 "[ . 1]" 1
711 1 76 ALA HA 1 79 ASP HB2 3.200 . 4.600 2.833 2.141 3.411 . 0 0 "[ . 1]" 1
712 1 76 ALA HA 1 79 ASP HB3 3.400 . 5.100 2.742 2.011 3.766 . 0 0 "[ . 1]" 1
713 1 76 ALA HA 1 80 LEU H 3.300 . 4.900 3.619 3.503 3.747 . 0 0 "[ . 1]" 1
714 1 76 ALA MB 1 77 GLY H 3.300 . 4.700 2.581 2.521 2.630 . 0 0 "[ . 1]" 1
715 1 76 ALA MB 1 77 GLY QA 3.700 . 5.600 3.520 3.500 3.527 . 0 0 "[ . 1]" 1
716 1 77 GLY H 1 78 ILE H 2.700 . 3.500 2.615 2.577 2.679 . 0 0 "[ . 1]" 1
717 1 77 GLY H 1 79 ASP H 2.200 . 3.300 3.696 3.606 3.825 0.525 10 1 "[ . +]" 1
718 1 77 GLY QA 1 78 ILE H 3.000 . 4.500 2.557 2.532 2.577 . 0 0 "[ . 1]" 1
719 1 77 GLY QA 1 80 LEU H 4.300 2.100 5.700 3.225 3.114 3.375 . 0 0 "[ . 1]" 1
720 1 77 GLY QA 1 81 ILE H 3.400 . 5.100 3.923 3.789 4.010 . 0 0 "[ . 1]" 1
721 1 78 ILE H 1 78 ILE HA 2.900 . 4.300 2.768 2.758 2.777 . 0 0 "[ . 1]" 1
722 1 78 ILE H 1 78 ILE HB 2.900 . 4.300 2.314 2.036 2.488 . 0 0 "[ . 1]" 1
723 1 78 ILE H 1 79 ASP H 2.100 . 3.100 2.715 2.667 2.767 . 0 0 "[ . 1]" 1
724 1 78 ILE HA 1 79 ASP H 3.600 . 5.400 3.587 3.541 3.607 . 0 0 "[ . 1]" 1
725 1 78 ILE HA 1 81 ILE H 3.400 . 5.100 3.201 3.104 3.535 . 0 0 "[ . 1]" 1
726 1 78 ILE HA 1 81 ILE HB 3.000 . 4.500 3.170 3.146 3.182 . 0 0 "[ . 1]" 1
727 1 78 ILE HA 1 82 ASN H 3.400 . 5.100 3.806 3.656 3.939 . 0 0 "[ . 1]" 1
728 1 78 ILE HB 1 79 ASP H 3.400 . 5.100 3.077 2.787 3.547 . 0 0 "[ . 1]" 1
729 1 79 ASP H 1 79 ASP HB2 3.000 . 4.500 2.485 2.211 2.706 . 0 0 "[ . 1]" 1
730 1 79 ASP H 1 79 ASP HB3 3.300 . 5.000 2.948 2.487 3.596 . 0 0 "[ . 1]" 1
731 1 79 ASP H 1 80 LEU H 3.400 . 5.100 2.573 2.485 2.636 . 0 0 "[ . 1]" 1
732 1 79 ASP HA 1 79 ASP HB3 2.800 . 4.200 2.879 2.601 3.034 . 0 0 "[ . 1]" 1
733 1 79 ASP HA 1 80 LEU H 4.500 2.200 6.000 3.524 3.479 3.572 . 0 0 "[ . 1]" 1
734 1 79 ASP HA 1 82 ASN H 3.300 . 4.300 2.730 2.622 2.868 . 0 0 "[ . 1]" 1
735 1 79 ASP HA 1 82 ASN HB2 3.300 . 4.700 3.016 2.188 3.185 . 0 0 "[ . 1]" 1
736 1 79 ASP HA 1 82 ASN HB3 3.000 . 4.500 2.082 1.686 3.081 0.014 2 0 "[ . 1]" 1
737 1 79 ASP HA 1 83 ASN H 4.200 2.100 6.000 2.973 2.864 3.082 . 0 0 "[ . 1]" 1
738 1 79 ASP HA 1 83 ASN HB3 3.200 . 4.800 3.299 3.291 3.310 . 0 0 "[ . 1]" 1
739 1 79 ASP HB2 1 80 LEU H 3.500 2.100 5.300 3.631 3.133 3.933 . 0 0 "[ . 1]" 1
740 1 79 ASP HB3 1 80 LEU H 4.100 2.100 5.300 3.001 2.566 3.678 . 0 0 "[ . 1]" 1
741 1 80 LEU H 1 80 LEU HB2 2.900 . 4.400 2.366 2.210 2.523 . 0 0 "[ . 1]" 1
742 1 80 LEU H 1 80 LEU HB3 3.300 . 4.900 2.936 2.641 3.623 . 0 0 "[ . 1]" 1
743 1 80 LEU H 1 81 ILE H 3.400 . 5.100 2.820 2.723 2.933 . 0 0 "[ . 1]" 1
744 1 80 LEU H 1 82 ASN H 4.100 2.100 6.000 3.959 3.815 4.157 . 0 0 "[ . 1]" 1
745 1 80 LEU HA 1 81 ILE H 4.000 . 6.000 3.574 3.534 3.602 . 0 0 "[ . 1]" 1
746 1 80 LEU HA 1 83 ASN H 4.000 . 5.400 3.982 3.975 3.986 . 0 0 "[ . 1]" 1
747 1 80 LEU HA 1 83 ASN HB3 3.400 . 4.800 3.752 3.651 3.822 . 0 0 "[ . 1]" 1
748 1 80 LEU HB2 1 81 ILE H 3.600 . 5.400 3.253 2.284 3.510 . 0 0 "[ . 1]" 1
749 1 80 LEU HB2 1 81 ILE HA 3.700 . 5.300 5.271 4.352 5.521 0.221 2 0 "[ . 1]" 1
750 1 80 LEU HB3 1 81 ILE H 3.400 . 5.100 2.425 2.098 3.327 . 0 0 "[ . 1]" 1
751 1 80 LEU HB3 1 81 ILE HA 3.200 . 4.600 4.091 4.022 4.266 . 0 0 "[ . 1]" 1
752 1 81 ILE H 1 81 ILE HB 3.000 . 4.500 2.264 2.080 2.413 . 0 0 "[ . 1]" 1
753 1 81 ILE H 1 82 ASN H 2.800 . 3.600 2.823 2.676 2.922 . 0 0 "[ . 1]" 1
754 1 81 ILE HA 1 81 ILE HB 3.000 . 4.500 2.631 2.568 2.748 . 0 0 "[ . 1]" 1
755 1 81 ILE HA 1 81 ILE MD 3.000 . 4.300 2.180 1.715 2.827 0.085 8 0 "[ . 1]" 1
756 1 81 ILE HA 1 82 ASN H 3.500 . 5.300 3.545 3.500 3.586 . 0 0 "[ . 1]" 1
757 1 81 ILE HA 1 84 LYS H 4.100 . 5.400 3.691 3.515 3.786 . 0 0 "[ . 1]" 1
758 1 81 ILE HA 1 84 LYS HB3 3.700 . 5.500 2.955 2.366 4.213 . 0 0 "[ . 1]" 1
759 1 81 ILE HB 1 82 ASN H 2.700 . 4.100 3.805 3.567 3.877 . 0 0 "[ . 1]" 1
760 1 81 ILE MD 1 85 LEU H 3.900 . 5.800 3.689 3.424 3.925 . 0 0 "[ . 1]" 1
761 1 82 ASN H 1 82 ASN HB2 3.300 . 4.700 2.539 2.137 2.730 . 0 0 "[ . 1]" 1
762 1 82 ASN H 1 82 ASN HB3 3.300 . 4.900 2.589 2.284 3.370 . 0 0 "[ . 1]" 1
763 1 82 ASN H 1 83 ASN H 3.300 . 4.900 2.433 2.332 2.633 . 0 0 "[ . 1]" 1
764 1 82 ASN HA 1 85 LEU H 3.800 . 5.700 3.227 2.995 3.407 . 0 0 "[ . 1]" 1
765 1 82 ASN HA 1 85 LEU HB3 4.000 . 6.000 2.210 2.038 2.380 . 0 0 "[ . 1]" 1
766 1 82 ASN HB2 1 82 ASN HD21 3.900 . 5.800 3.001 2.203 3.533 . 0 0 "[ . 1]" 1
767 1 82 ASN HB2 1 82 ASN HD22 3.800 . 5.700 3.829 3.464 4.072 . 0 0 "[ . 1]" 1
768 1 82 ASN HB2 1 83 ASN H 4.100 2.100 5.700 3.765 3.187 3.920 . 0 0 "[ . 1]" 1
769 1 82 ASN HB3 1 82 ASN HD21 4.000 . 5.800 2.735 2.131 3.480 . 0 0 "[ . 1]" 1
770 1 82 ASN HB3 1 83 ASN H 2.700 . 4.000 2.694 2.488 3.291 . 0 0 "[ . 1]" 1
771 1 83 ASN H 1 83 ASN HB2 3.100 . 4.600 3.314 3.276 3.344 . 0 0 "[ . 1]" 1
772 1 83 ASN H 1 83 ASN HB3 2.700 . 4.100 1.952 1.891 1.991 . 0 0 "[ . 1]" 1
773 1 83 ASN H 1 84 LYS H 3.200 . 4.800 2.357 2.321 2.401 . 0 0 "[ . 1]" 1
774 1 83 ASN H 1 85 LEU H 3.300 2.300 4.900 3.303 3.227 3.386 . 0 0 "[ . 1]" 1
775 1 83 ASN HA 1 86 GLU H 5.500 2.700 5.600 3.184 3.106 3.256 . 0 0 "[ . 1]" 1
776 1 83 ASN HA 1 86 GLU HB3 3.400 . 4.700 3.409 2.848 4.593 . 0 0 "[ . 1]" 1
777 1 83 ASN HB2 1 84 LYS H 3.400 . 5.100 4.066 4.043 4.087 . 0 0 "[ . 1]" 1
778 1 83 ASN HB3 1 84 LYS H 3.300 . 4.500 3.158 3.153 3.163 . 0 0 "[ . 1]" 1
779 1 84 LYS H 1 84 LYS HA 3.000 . 4.500 2.850 2.836 2.863 . 0 0 "[ . 1]" 1
780 1 84 LYS H 1 84 LYS HB3 3.500 . 5.300 2.885 2.502 3.636 . 0 0 "[ . 1]" 1
781 1 84 LYS H 1 85 LEU H 3.200 . 4.800 2.521 2.475 2.547 . 0 0 "[ . 1]" 1
782 1 84 LYS HA 1 85 LEU H 3.800 . 5.700 3.456 3.423 3.483 . 0 0 "[ . 1]" 1
783 1 84 LYS HA 1 87 ARG H 3.700 . 4.900 3.140 2.953 3.240 . 0 0 "[ . 1]" 1
784 1 84 LYS HB3 1 85 LEU H 3.300 . 5.000 3.200 2.790 3.851 . 0 0 "[ . 1]" 1
785 1 85 LEU H 1 85 LEU HB3 3.600 . 5.300 2.518 2.466 2.576 . 0 0 "[ . 1]" 1
786 1 85 LEU H 1 86 GLU H 2.400 . 3.600 2.729 2.582 2.834 . 0 0 "[ . 1]" 1
787 1 85 LEU H 1 87 ARG H 4.500 2.200 5.100 3.860 3.677 3.953 . 0 0 "[ . 1]" 1
788 1 85 LEU HA 1 86 GLU H 4.600 2.300 6.000 3.560 3.549 3.569 . 0 0 "[ . 1]" 1
789 1 85 LEU HA 1 88 GLN H 3.000 . 4.500 3.158 2.934 3.393 . 0 0 "[ . 1]" 1
790 1 85 LEU HA 1 88 GLN HB3 3.400 . 5.100 3.533 2.858 4.047 . 0 0 "[ . 1]" 1
791 1 85 LEU HA 1 89 VAL H 4.700 2.400 6.000 3.057 2.940 3.207 . 0 0 "[ . 1]" 1
792 1 85 LEU HB3 1 86 GLU H 4.100 . 6.000 2.258 2.152 2.370 . 0 0 "[ . 1]" 1
793 1 86 GLU H 1 86 GLU HB3 2.600 . 3.900 2.851 2.363 3.563 . 0 0 "[ . 1]" 1
794 1 86 GLU H 1 87 ARG H 3.300 . 4.900 2.840 2.764 2.875 . 0 0 "[ . 1]" 1
795 1 86 GLU HA 1 86 GLU HB3 3.000 . 4.200 2.883 2.564 3.029 . 0 0 "[ . 1]" 1
796 1 86 GLU HA 1 87 ARG H . 3.000 5.700 3.565 3.549 3.576 . 0 0 "[ . 1]" 1
797 1 86 GLU HA 1 88 GLN H 3.900 . 5.800 4.387 4.260 4.493 . 0 0 "[ . 1]" 1
798 1 86 GLU HA 1 89 VAL H 4.300 2.100 6.000 4.220 3.910 4.437 . 0 0 "[ . 1]" 1
799 1 86 GLU HA 1 90 ARG H 5.300 2.700 6.000 3.692 3.578 3.778 . 0 0 "[ . 1]" 1
800 1 86 GLU HB3 1 87 ARG H 3.100 . 4.700 2.657 2.204 3.418 . 0 0 "[ . 1]" 1
801 1 87 ARG H 1 87 ARG HB2 2.700 . 4.100 2.439 2.158 2.642 . 0 0 "[ . 1]" 1
802 1 87 ARG H 1 88 GLN H 3.100 . 3.600 2.804 2.725 2.854 . 0 0 "[ . 1]" 1
803 1 87 ARG H 1 88 GLN HB3 3.900 . 5.800 5.848 5.348 6.177 0.377 4 0 "[ . 1]" 1
804 1 87 ARG HA 1 87 ARG HB2 2.800 . 4.200 2.497 2.341 2.908 . 0 0 "[ . 1]" 1
805 1 87 ARG HA 1 88 GLN H 3.500 . 5.100 3.525 3.510 3.564 . 0 0 "[ . 1]" 1
806 1 87 ARG HA 1 90 ARG H 3.500 . 5.200 4.072 3.918 4.182 . 0 0 "[ . 1]" 1
807 1 87 ARG HB2 1 88 GLN H 3.100 . 4.700 3.800 2.799 4.111 . 0 0 "[ . 1]" 1
808 1 88 GLN H 1 88 GLN HA 2.900 . 4.400 2.926 2.913 2.939 . 0 0 "[ . 1]" 1
809 1 88 GLN H 1 88 GLN HB3 2.800 . 4.200 3.124 2.682 3.411 . 0 0 "[ . 1]" 1
810 1 88 GLN H 1 89 VAL H 3.200 . 4.800 2.145 2.034 2.256 . 0 0 "[ . 1]" 1
811 1 88 GLN H 1 89 VAL HB 3.200 . 4.800 3.753 3.748 3.757 . 0 0 "[ . 1]" 1
812 1 88 GLN H 1 90 ARG H 2.100 . 3.200 3.616 3.540 3.709 0.509 2 1 "[ + . 1]" 1
813 1 88 GLN HA 1 88 GLN HB3 3.000 . 4.300 2.857 2.700 3.006 . 0 0 "[ . 1]" 1
814 1 88 GLN HA 1 89 VAL H 4.300 2.100 6.000 3.452 3.424 3.475 . 0 0 "[ . 1]" 1
815 1 88 GLN HA 1 91 LYS H 3.400 . 5.100 3.230 3.105 3.349 . 0 0 "[ . 1]" 1
816 1 88 GLN HA 1 92 TYR H 3.800 . 5.700 3.819 3.629 3.969 . 0 0 "[ . 1]" 1
817 1 88 GLN HB2 1 89 VAL H 2.900 . 4.300 2.943 2.399 3.539 . 0 0 "[ . 1]" 1
818 1 88 GLN HB3 1 89 VAL H 3.200 . 4.800 2.631 2.407 2.708 . 0 0 "[ . 1]" 1
819 1 89 VAL H 1 89 VAL HB 3.400 . 5.100 2.187 1.980 2.276 . 0 0 "[ . 1]" 1
820 1 89 VAL H 1 90 ARG H 2.900 . 4.400 2.811 2.614 2.944 . 0 0 "[ . 1]" 1
821 1 89 VAL HA 1 90 ARG H 3.900 . 5.100 3.526 3.520 3.535 . 0 0 "[ . 1]" 1
822 1 89 VAL HA 1 91 LYS H 3.900 . 5.800 4.536 4.325 4.682 . 0 0 "[ . 1]" 1
823 1 89 VAL HA 1 92 TYR H 4.500 2.300 6.000 3.704 3.605 3.816 . 0 0 "[ . 1]" 1
824 1 89 VAL HA 1 92 TYR HB2 3.400 . 5.100 3.738 3.594 3.803 . 0 0 "[ . 1]" 1
825 1 89 VAL HA 1 92 TYR HB3 3.700 . 5.200 3.238 3.086 3.546 . 0 0 "[ . 1]" 1
826 1 89 VAL HB 1 90 ARG H 3.400 . 5.100 2.638 2.496 3.227 . 0 0 "[ . 1]" 1
827 1 90 ARG H 1 90 ARG HB3 3.000 . 4.500 2.959 2.609 3.672 . 0 0 "[ . 1]" 1
828 1 90 ARG H 1 91 LYS H 3.300 . 3.900 2.627 2.473 2.700 . 0 0 "[ . 1]" 1
829 1 90 ARG HA 1 90 ARG HB3 3.000 . 4.400 2.501 2.463 2.559 . 0 0 "[ . 1]" 1
830 1 90 ARG HA 1 91 LYS H 4.400 2.200 5.600 3.546 3.503 3.574 . 0 0 "[ . 1]" 1
831 1 90 ARG HA 1 93 LYS H 5.000 2.500 6.000 3.425 3.192 3.582 . 0 0 "[ . 1]" 1
832 1 90 ARG HA 1 93 LYS HB3 3.000 . 4.500 4.087 3.524 4.352 . 0 0 "[ . 1]" 1
833 1 90 ARG HB3 1 91 LYS H 2.700 . 4.000 3.858 3.442 4.063 0.063 6 0 "[ . 1]" 1
834 1 90 ARG HB3 1 94 THR HB 3.600 . 5.400 4.883 3.780 5.378 . 0 0 "[ . 1]" 1
835 1 91 LYS H 1 91 LYS HB2 2.700 . 4.000 2.471 2.113 3.415 . 0 0 "[ . 1]" 1
836 1 91 LYS H 1 92 TYR H 2.800 . 4.200 2.630 2.625 2.637 . 0 0 "[ . 1]" 1
837 1 91 LYS HA 1 91 LYS HB2 2.700 . 4.100 2.528 2.277 2.850 . 0 0 "[ . 1]" 1
838 1 91 LYS HA 1 92 TYR H 3.400 . 5.100 3.464 3.451 3.497 . 0 0 "[ . 1]" 1
839 1 91 LYS HB2 1 92 TYR H 3.100 . 4.600 3.479 2.640 4.065 . 0 0 "[ . 1]" 1
840 1 91 LYS HB2 1 92 TYR HB2 4.300 2.200 6.000 5.155 4.095 5.682 . 0 0 "[ . 1]" 1
841 1 92 TYR H 1 92 TYR HB2 3.200 . 4.500 2.357 2.259 2.473 . 0 0 "[ . 1]" 1
842 1 92 TYR H 1 92 TYR HB3 3.100 . 4.600 2.722 2.561 2.891 . 0 0 "[ . 1]" 1
843 1 92 TYR H 1 93 LYS H 3.700 . 5.600 2.716 2.578 2.826 . 0 0 "[ . 1]" 1
844 1 92 TYR HA 1 92 TYR HB3 3.000 . 4.500 3.006 2.980 3.020 . 0 0 "[ . 1]" 1
845 1 92 TYR HA 1 93 LYS H 3.800 . 5.700 3.593 3.585 3.603 . 0 0 "[ . 1]" 1
846 1 92 TYR HA 1 96 ILE H 3.900 . 5.800 3.911 3.811 3.999 . 0 0 "[ . 1]" 1
847 1 92 TYR HB2 1 93 LYS H 4.100 2.100 6.000 3.581 3.472 3.675 . 0 0 "[ . 1]" 1
848 1 92 TYR HB3 1 93 LYS H 4.600 2.300 6.000 2.329 2.206 2.479 0.094 7 0 "[ . 1]" 1
849 1 93 LYS H 1 93 LYS HB3 2.900 . 4.300 2.493 2.217 2.689 . 0 0 "[ . 1]" 1
850 1 93 LYS H 1 93 LYS HG3 3.400 . 5.100 3.142 2.619 3.998 . 0 0 "[ . 1]" 1
851 1 93 LYS H 1 94 THR H 3.500 . 5.300 2.654 2.596 2.744 . 0 0 "[ . 1]" 1
852 1 93 LYS HA 1 93 LYS HB3 2.900 . 4.300 2.515 2.407 2.696 . 0 0 "[ . 1]" 1
853 1 93 LYS HA 1 93 LYS HG3 3.700 . 5.600 3.672 3.487 3.747 . 0 0 "[ . 1]" 1
854 1 93 LYS HA 1 94 THR H 3.900 . 5.800 3.537 3.519 3.563 . 0 0 "[ . 1]" 1
855 1 93 LYS HA 1 96 ILE H 3.100 . 4.600 3.518 3.428 3.637 . 0 0 "[ . 1]" 1
856 1 93 LYS HA 1 97 ASN H 4.600 2.300 6.000 3.852 3.790 4.015 . 0 0 "[ . 1]" 1
857 1 93 LYS HB3 1 94 THR H 4.000 . 6.000 3.871 3.601 3.975 . 0 0 "[ . 1]" 1
858 1 93 LYS HG3 1 94 THR HA 3.500 . 5.200 3.450 2.956 3.766 . 0 0 "[ . 1]" 1
859 1 94 THR H 1 94 THR HB 3.700 . 5.600 2.372 2.317 2.416 . 0 0 "[ . 1]" 1
860 1 94 THR H 1 94 THR HG1 4.000 . 6.000 3.158 2.431 3.614 . 0 0 "[ . 1]" 1
861 1 94 THR H 1 95 ARG H 3.000 . 4.500 2.602 2.512 2.685 . 0 0 "[ . 1]" 1
862 1 94 THR HA 1 97 ASN H 4.500 2.200 6.000 3.381 3.173 3.575 . 0 0 "[ . 1]" 1
863 1 94 THR HB 1 94 THR HG1 2.800 . 4.200 2.629 2.173 2.847 . 0 0 "[ . 1]" 1
864 1 95 ARG H 1 95 ARG HB3 3.400 . 5.100 2.547 2.392 2.944 . 0 0 "[ . 1]" 1
865 1 95 ARG HA 1 96 ILE H 3.400 . 5.100 3.572 3.541 3.593 . 0 0 "[ . 1]" 1
866 1 95 ARG HA 1 98 ARG H 4.400 2.200 6.000 3.590 3.372 4.001 . 0 0 "[ . 1]" 1
867 1 95 ARG HA 1 99 LYS H 3.200 . 4.800 4.422 3.301 5.404 0.604 7 1 "[ . + 1]" 1
868 1 95 ARG HB3 1 96 ILE H 2.800 . 4.200 2.520 2.361 2.736 . 0 0 "[ . 1]" 1
869 1 96 ILE H 1 96 ILE HB 2.700 . 4.100 2.466 2.199 2.547 . 0 0 "[ . 1]" 1
870 1 96 ILE H 1 96 ILE MD 4.300 2.100 6.000 3.706 2.253 4.094 . 0 0 "[ . 1]" 1
871 1 96 ILE H 1 98 ARG H 3.900 . 5.900 4.099 3.828 4.489 . 0 0 "[ . 1]" 1
872 1 96 ILE HA 1 96 ILE MD 2.900 . 4.400 2.066 1.936 2.482 . 0 0 "[ . 1]" 1
873 1 96 ILE HA 1 97 ASN H 4.600 2.300 6.000 3.517 3.465 3.574 . 0 0 "[ . 1]" 1
874 1 96 ILE HB 1 96 ILE MD 2.800 . 4.200 2.395 2.370 2.435 . 0 0 "[ . 1]" 1
875 1 96 ILE HB 1 97 ASN H 4.100 2.100 6.000 3.778 2.662 4.051 . 0 0 "[ . 1]" 1
876 1 97 ASN H 1 97 ASN HA 2.400 . 3.600 2.856 2.816 2.922 . 0 0 "[ . 1]" 1
877 1 97 ASN H 1 97 ASN HB3 5.700 2.800 6.000 3.117 2.506 3.633 0.294 1 0 "[ . 1]" 1
878 1 97 ASN H 1 98 ARG H 3.700 . 5.500 2.540 2.228 2.697 . 0 0 "[ . 1]" 1
879 1 97 ASN HA 1 97 ASN HD22 2.600 . 3.900 3.432 3.350 3.569 . 0 0 "[ . 1]" 1
880 1 97 ASN HA 1 98 ARG H 2.600 . 3.900 3.505 3.330 3.578 . 0 0 "[ . 1]" 1
881 1 97 ASN HA 1 100 SER H 2.900 . 4.300 3.783 3.093 5.457 1.157 7 1 "[ . + 1]" 1
882 1 98 ARG H 1 98 ARG HA 4.400 2.200 6.000 2.826 2.681 2.876 . 0 0 "[ . 1]" 1
883 1 98 ARG H 1 98 ARG HB3 3.700 . 5.500 3.090 2.540 3.617 . 0 0 "[ . 1]" 1
884 1 98 ARG H 1 99 LYS H 4.200 2.100 6.000 2.679 2.490 3.415 . 0 0 "[ . 1]" 1
885 1 98 ARG H 1 100 SER H 3.300 . 5.000 4.247 3.874 5.674 0.674 7 1 "[ . + 1]" 1
886 1 98 ARG HA 1 99 LYS H 3.200 . 4.800 3.484 3.343 3.622 . 0 0 "[ . 1]" 1
887 1 98 ARG HB3 1 99 LYS H 3.600 2.100 5.400 3.262 2.141 4.105 . 0 0 "[ . 1]" 1
888 1 99 LYS H 1 99 LYS HB3 3.700 . 5.500 2.889 2.495 3.642 . 0 0 "[ . 1]" 1
889 1 99 LYS H 1 100 SER H 2.900 . 4.400 2.467 2.273 2.850 . 0 0 "[ . 1]" 1
890 1 99 LYS HA 1 102 ASP H 3.400 . 5.100 4.716 3.161 6.753 1.653 7 1 "[ . + 1]" 1
891 1 100 SER H 1 102 ASP H 3.900 . 5.800 4.186 3.300 4.892 . 0 0 "[ . 1]" 1
892 1 101 ARG HA 1 102 ASP H 3.700 . 5.500 3.422 3.110 3.560 . 0 0 "[ . 1]" 1
893 1 102 ASP HA 1 103 ARG H 3.400 . 5.100 2.409 2.107 2.837 . 0 0 "[ . 1]" 1
894 1 102 ASP HA 1 104 GLY H 2.800 . 4.200 3.726 3.051 4.401 0.201 2 0 "[ . 1]" 1
895 1 103 ARG H 1 103 ARG HB2 4.200 2.100 6.000 2.678 2.354 3.745 . 0 0 "[ . 1]" 1
896 1 103 ARG H 1 103 ARG HB3 4.100 . 6.000 3.496 2.665 3.773 . 0 0 "[ . 1]" 1
897 1 103 ARG H 1 105 ASP H 2.700 . 4.000 4.927 2.851 6.746 2.746 7 8 "[** *.*+**-]" 1
898 1 103 ARG HA 1 104 GLY H 4.500 2.200 6.000 3.195 2.820 3.567 . 0 0 "[ . 1]" 1
899 1 104 GLY HA3 1 105 ASP H 4.100 2.100 6.000 3.113 2.266 3.569 . 0 0 "[ . 1]" 1
900 1 105 ASP H 1 105 ASP HB3 4.200 2.100 6.000 3.073 2.425 3.629 . 0 0 "[ . 1]" 1
901 1 105 ASP H 1 106 GLN H 2.600 . 3.900 2.429 2.185 2.684 . 0 0 "[ . 1]" 1
902 1 106 GLN H 1 106 GLN HB2 4.200 2.100 6.000 2.652 2.426 2.957 . 0 0 "[ . 1]" 1
903 1 106 GLN H 1 107 GLU H 2.400 . 3.600 2.497 1.991 3.163 . 0 0 "[ . 1]" 1
904 1 107 GLU HA 1 108 VAL H 2.900 . 4.400 2.366 2.182 2.771 . 0 0 "[ . 1]" 1
905 1 108 VAL H 1 108 VAL HA 4.600 2.300 6.000 2.929 2.889 2.952 . 0 0 "[ . 1]" 1
906 1 108 VAL H 1 108 VAL HB 3.300 . 5.000 3.145 2.576 3.804 . 0 0 "[ . 1]" 1
907 1 108 VAL H 1 108 VAL MG1 3.600 . 5.400 2.892 2.136 3.922 . 0 0 "[ . 1]" 1
908 1 108 VAL H 1 109 PHE H 4.300 2.100 6.000 2.343 1.966 2.596 0.134 6 0 "[ . 1]" 1
909 1 108 VAL HA 1 109 PHE H 3.300 . 4.900 3.116 2.964 3.165 . 0 0 "[ . 1]" 1
910 1 109 PHE H 1 109 PHE HB3 3.900 . 5.900 3.396 2.501 4.108 . 0 0 "[ . 1]" 1
911 1 110 VAL H 1 110 VAL HA 4.800 2.400 6.000 2.923 2.893 2.940 . 0 0 "[ . 1]" 1
912 1 110 VAL H 1 110 VAL HB 3.900 . 5.800 2.955 2.528 3.620 . 0 0 "[ . 1]" 1
913 1 110 VAL H 1 110 VAL MG1 3.700 . 5.500 3.041 1.928 3.898 . 0 0 "[ . 1]" 1
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