NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406102 |
1xfq   |
6322 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xfq
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 1145
_Distance_constraint_stats_list.Viol_count 2183
_Distance_constraint_stats_list.Viol_total 4687.470
_Distance_constraint_stats_list.Viol_max 0.988
_Distance_constraint_stats_list.Viol_rms 0.0478
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.1074
_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 14 LEU 0.597 0.123 3 0 "[ . 1 . 2]"
1 15 ALA 0.123 0.123 3 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 7.442 0.708 13 7 "[* *. * * + . * -2]"
1 19 ILE 19.119 0.947 7 7 "[* *. + * * . * -2]"
1 20 GLN 18.972 0.955 10 8 "[* *. * *+ * . * -2]"
1 21 LEU 7.113 0.240 17 0 "[ . 1 . 2]"
1 22 ASP 7.515 0.390 11 0 "[ . 1 . 2]"
1 23 GLY 3.074 0.167 10 0 "[ . 1 . 2]"
1 24 ASP 8.141 0.985 18 3 "[ - . *1 . + 2]"
1 25 GLY 0.004 0.004 6 0 "[ . 1 . 2]"
1 26 ASN 4.590 0.985 18 1 "[ . 1 . + 2]"
1 27 ILE 10.207 0.423 9 0 "[ . 1 . 2]"
1 28 LEU 7.295 0.423 9 0 "[ . 1 . 2]"
1 29 GLN 6.947 0.390 11 0 "[ . 1 . 2]"
1 30 TYR 2.312 0.510 19 1 "[ . 1 . +2]"
1 31 ASN 1.101 0.161 8 0 "[ . 1 . 2]"
1 32 ALA 0.464 0.109 19 0 "[ . 1 . 2]"
1 33 ALA 0.267 0.109 19 0 "[ . 1 . 2]"
1 34 GLU 0.191 0.081 18 0 "[ . 1 . 2]"
1 35 GLY 0.149 0.081 18 0 "[ . 1 . 2]"
1 36 ASP 2.162 0.726 9 1 "[ . +1 . 2]"
1 37 ILE 2.034 0.726 9 1 "[ . +1 . 2]"
1 38 THR 1.072 0.548 5 1 "[ + 1 . 2]"
1 39 GLY 0.789 0.548 5 1 "[ + 1 . 2]"
1 40 ARG 0.375 0.108 6 0 "[ . 1 . 2]"
1 41 ASP 0.416 0.175 13 0 "[ . 1 . 2]"
1 42 PRO 1.572 0.647 14 2 "[ . - 1 +. 2]"
1 43 LYS 6.331 0.675 6 3 "[ .+ - 1 *. 2]"
1 44 GLN 1.771 0.675 6 1 "[ .+ 1 . 2]"
1 45 VAL 2.438 0.179 3 0 "[ . 1 . 2]"
1 46 ILE 4.170 0.215 18 0 "[ . 1 . 2]"
1 47 GLY 6.315 0.447 3 0 "[ . 1 . 2]"
1 48 LYS 16.437 0.988 6 6 "[* **.+ - 1 * . 2]"
1 49 ASN 7.944 0.988 6 5 "[* *-.+ 1 * . 2]"
1 50 PHE 2.882 0.804 7 2 "[ . + 1 - . 2]"
1 51 PHE 0.159 0.055 11 0 "[ . 1 . 2]"
1 52 LYS 0.272 0.063 8 0 "[ . 1 . 2]"
1 53 ASP 1.527 0.804 7 2 "[ . + 1 - . 2]"
1 54 VAL 0.727 0.152 14 0 "[ . 1 . 2]"
1 55 ALA 0.218 0.092 20 0 "[ . 1 . 2]"
1 62 GLU 0.024 0.024 13 0 "[ . 1 . 2]"
1 63 PHE 2.133 0.887 12 2 "[ . 1 + -. 2]"
1 64 TYR 1.883 0.887 12 2 "[ . 1 + -. 2]"
1 65 GLY 3.740 0.335 8 0 "[ . 1 . 2]"
1 67 PHE 1.180 0.107 7 0 "[ . 1 . 2]"
1 68 LYS 0.483 0.082 14 0 "[ . 1 . 2]"
1 69 GLU 4.555 0.562 8 1 "[ . + 1 . 2]"
1 70 GLY 13.138 0.272 10 0 "[ . 1 . 2]"
1 71 VAL 6.000 0.221 9 0 "[ . 1 . 2]"
1 72 ALA 11.100 0.562 8 1 "[ . + 1 . 2]"
1 73 SER 7.954 0.562 8 1 "[ . + 1 . 2]"
1 74 GLY 1.721 0.415 2 0 "[ . 1 . 2]"
1 75 ASN 7.956 0.415 2 0 "[ . 1 . 2]"
1 76 LEU 26.077 0.339 16 0 "[ . 1 . 2]"
1 77 ASN 0.520 0.088 9 0 "[ . 1 . 2]"
1 78 THR 8.043 0.339 11 0 "[ . 1 . 2]"
1 79 MET 3.065 0.135 18 0 "[ . 1 . 2]"
1 80 PHE 2.805 0.962 4 2 "[ +. 1- . 2]"
1 81 GLU 2.945 0.213 13 0 "[ . 1 . 2]"
1 82 TYR 3.637 0.962 4 3 "[ +. 1* . -2]"
1 83 THR 0.542 0.063 15 0 "[ . 1 . 2]"
1 84 PHE 1.042 0.139 3 0 "[ . 1 . 2]"
1 85 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 TYR 0.050 0.032 14 0 "[ . 1 . 2]"
1 87 GLN 0.627 0.258 18 0 "[ . 1 . 2]"
1 89 THR 0.166 0.073 20 0 "[ . 1 . 2]"
1 90 PRO 0.102 0.073 20 0 "[ . 1 . 2]"
1 91 THR 0.667 0.139 3 0 "[ . 1 . 2]"
1 92 LYS 1.124 0.250 12 0 "[ . 1 . 2]"
1 93 VAL 7.507 0.250 12 0 "[ . 1 . 2]"
1 94 LYS 7.101 0.219 7 0 "[ . 1 . 2]"
1 95 VAL 11.405 0.510 19 1 "[ . 1 . +2]"
1 96 HIS 1.250 0.139 13 0 "[ . 1 . 2]"
1 97 MET 1.082 0.080 20 0 "[ . 1 . 2]"
1 98 LYS 6.299 0.262 6 0 "[ . 1 . 2]"
1 99 LYS 18.576 0.339 16 0 "[ . 1 . 2]"
1 100 ALA 3.915 0.275 2 0 "[ . 1 . 2]"
1 101 LEU 0.643 0.089 9 0 "[ . 1 . 2]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ASP 1.785 0.296 17 0 "[ . 1 . 2]"
1 105 SER 13.273 0.955 10 4 "[ * . -+ . * 2]"
1 106 TYR 14.806 0.253 16 0 "[ . 1 . 2]"
1 107 TRP 29.830 0.275 2 0 "[ . 1 . 2]"
1 108 VAL 8.108 0.445 17 0 "[ . 1 . 2]"
1 109 PHE 6.641 0.402 2 0 "[ . 1 . 2]"
1 110 VAL 1.972 0.158 12 0 "[ . 1 . 2]"
1 111 LYS 7.626 0.589 8 1 "[ . + 1 . 2]"
1 112 ARG 2.793 0.589 8 1 "[ . + 1 . 2]"
1 113 VAL 1.211 0.204 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 LEU HA 1 14 LEU MD1 3.000 . 4.100 1.989 1.783 2.140 0.117 11 0 "[ . 1 . 2]" 1
2 1 14 LEU HA 1 14 LEU MD2 4.300 . 6.000 2.860 1.970 4.077 0.030 12 0 "[ . 1 . 2]" 1
3 1 14 LEU HA 1 15 ALA H 2.200 . 2.800 2.292 2.114 2.923 0.123 3 0 "[ . 1 . 2]" 1
4 1 14 LEU HB2 1 15 ALA H 5.200 . 6.000 4.081 3.151 4.498 . 0 0 "[ . 1 . 2]" 1
5 1 14 LEU MD2 1 15 ALA H 6.000 . 6.000 3.893 2.318 5.346 . 0 0 "[ . 1 . 2]" 1
6 1 15 ALA H 1 15 ALA MB 3.200 . 4.500 2.466 2.235 2.948 . 0 0 "[ . 1 . 2]" 1
7 1 17 GLY H 1 30 TYR QE 5.500 . 6.000 3.964 2.876 4.659 . 0 0 "[ . 1 . 2]" 1
8 1 17 GLY QA 1 18 ALA H 2.800 . 3.800 2.571 2.140 2.940 . 0 0 "[ . 1 . 2]" 1
9 1 17 GLY QA 1 109 PHE QB 6.000 . 6.000 4.707 3.986 5.708 . 0 0 "[ . 1 . 2]" 1
10 1 18 ALA H 1 18 ALA HA 2.700 . 3.600 2.931 2.891 2.964 . 0 0 "[ . 1 . 2]" 1
11 1 18 ALA H 1 18 ALA MB 2.400 . 3.100 2.466 2.297 2.740 . 0 0 "[ . 1 . 2]" 1
12 1 18 ALA H 1 31 ASN QB 3.500 . 5.000 2.587 1.981 3.404 0.019 8 0 "[ . 1 . 2]" 1
13 1 18 ALA H 1 30 TYR QD 6.000 . 6.000 5.377 4.425 6.037 0.037 17 0 "[ . 1 . 2]" 1
14 1 18 ALA H 1 30 TYR QE 5.200 . 6.000 4.366 3.189 5.107 . 0 0 "[ . 1 . 2]" 1
15 1 18 ALA H 1 31 ASN H 4.900 . 6.000 4.576 3.830 5.298 . 0 0 "[ . 1 . 2]" 1
16 1 18 ALA H 1 32 ALA HA 6.000 . 6.000 5.413 4.129 6.109 0.109 19 0 "[ . 1 . 2]" 1
17 1 18 ALA HA 1 18 ALA MB 1.900 . 2.300 2.131 2.125 2.138 . 0 0 "[ . 1 . 2]" 1
18 1 18 ALA HA 1 19 ILE H 1.600 . 2.200 2.175 2.140 2.194 . 0 0 "[ . 1 . 2]" 1
19 1 18 ALA HA 1 98 LYS QD 3.000 . 4.100 2.346 2.314 2.423 . 0 0 "[ . 1 . 2]" 1
20 1 18 ALA HA 1 109 PHE HA 1.700 . 2.200 2.307 2.201 2.388 0.188 13 0 "[ . 1 . 2]" 1
21 1 18 ALA HA 1 109 PHE QD 3.000 . 4.100 3.006 2.259 4.194 0.094 13 0 "[ . 1 . 2]" 1
22 1 18 ALA HA 1 110 VAL H 3.100 . 4.300 3.716 3.476 3.924 . 0 0 "[ . 1 . 2]" 1
23 1 18 ALA MB 1 19 ILE H 3.600 . 5.200 3.420 3.263 3.474 . 0 0 "[ . 1 . 2]" 1
24 1 18 ALA MB 1 19 ILE HG13 4.300 . 6.000 6.224 5.943 6.708 0.708 13 7 "[* *. * * + . * -2]" 1
25 1 18 ALA MB 1 31 ASN H 5.700 . 6.000 3.900 3.299 4.478 . 0 0 "[ . 1 . 2]" 1
26 1 18 ALA MB 1 31 ASN QB 2.600 . 3.400 2.421 1.782 3.561 0.161 8 0 "[ . 1 . 2]" 1
27 1 18 ALA MB 1 31 ASN HD21 4.200 . 6.000 3.125 2.483 4.777 . 0 0 "[ . 1 . 2]" 1
28 1 18 ALA MB 1 31 ASN HD22 6.000 . 6.000 4.009 3.231 4.723 . 0 0 "[ . 1 . 2]" 1
29 1 18 ALA MB 1 107 TRP HZ3 2.600 . 6.000 3.013 2.528 4.078 . 0 0 "[ . 1 . 2]" 1
30 1 18 ALA MB 1 108 VAL MG1 2.100 . 2.600 2.132 2.098 2.136 . 0 0 "[ . 1 . 2]" 1
31 1 18 ALA MB 1 109 PHE H 5.800 . 6.000 5.448 4.596 5.738 . 0 0 "[ . 1 . 2]" 1
32 1 18 ALA MB 1 109 PHE QD 2.100 . 6.000 2.380 1.987 3.434 . 0 0 "[ . 1 . 2]" 1
33 1 18 ALA MB 1 109 PHE QE 2.000 . 6.000 2.637 2.218 4.832 . 0 0 "[ . 1 . 2]" 1
34 1 19 ILE H 1 19 ILE HA 2.600 . 3.400 2.930 2.915 2.941 . 0 0 "[ . 1 . 2]" 1
35 1 19 ILE H 1 19 ILE HB 2.800 . 3.800 3.131 3.015 3.248 . 0 0 "[ . 1 . 2]" 1
36 1 19 ILE H 1 19 ILE HB 3.000 . 4.100 3.127 3.014 3.239 . 0 0 "[ . 1 . 2]" 1
37 1 19 ILE H 1 19 ILE HG12 4.500 . 6.000 4.394 4.253 4.526 . 0 0 "[ . 1 . 2]" 1
38 1 19 ILE H 1 19 ILE QG 4.600 . 6.000 4.051 3.958 4.186 . 0 0 "[ . 1 . 2]" 1
39 1 19 ILE H 1 19 ILE HG13 5.000 . 6.000 4.748 4.627 4.936 . 0 0 "[ . 1 . 2]" 1
40 1 19 ILE H 1 19 ILE MG 3.100 . 4.300 2.021 1.877 2.107 0.023 13 0 "[ . 1 . 2]" 1
41 1 19 ILE H 1 20 GLN QG 6.000 . 6.000 4.928 4.069 5.612 . 0 0 "[ . 1 . 2]" 1
42 1 19 ILE H 1 107 TRP HE3 3.700 . 5.400 3.771 3.172 4.478 . 0 0 "[ . 1 . 2]" 1
43 1 19 ILE H 1 109 PHE HA 3.600 . 5.200 3.287 2.936 3.592 . 0 0 "[ . 1 . 2]" 1
44 1 19 ILE HA 1 27 ILE MD 5.300 . 6.000 5.171 4.831 5.983 . 0 0 "[ . 1 . 2]" 1
45 1 19 ILE HA 1 19 ILE QG 2.000 . 2.500 2.321 2.283 2.379 . 0 0 "[ . 1 . 2]" 1
46 1 19 ILE HA 1 20 GLN H 1.500 . 2.200 2.192 2.153 2.224 0.024 12 0 "[ . 1 . 2]" 1
47 1 19 ILE HA 1 30 TYR HA 2.400 . 3.100 2.454 2.153 2.922 . 0 0 "[ . 1 . 2]" 1
48 1 19 ILE HB 1 19 ILE QG 1.700 . 2.200 2.199 2.100 2.266 0.066 6 0 "[ . 1 . 2]" 1
49 1 19 ILE HB 1 19 ILE HG13 1.600 . 2.200 2.297 2.232 2.348 0.148 6 0 "[ . 1 . 2]" 1
50 1 19 ILE HB 1 20 GLN H 2.700 . 3.600 3.808 3.754 3.849 0.249 9 0 "[ . 1 . 2]" 1
51 1 19 ILE HB 1 29 GLN H 1.900 . 2.400 2.338 1.928 2.497 0.097 2 0 "[ . 1 . 2]" 1
52 1 19 ILE HB 1 30 TYR QD 2.000 . 2.500 1.767 1.463 2.264 0.037 4 0 "[ . 1 . 2]" 1
53 1 19 ILE HB 1 30 TYR QE 2.900 . 3.900 2.372 1.859 3.038 0.041 13 0 "[ . 1 . 2]" 1
54 1 19 ILE HB 1 107 TRP H 4.500 . 6.000 5.432 5.072 5.656 . 0 0 "[ . 1 . 2]" 1
55 1 19 ILE HB 1 108 VAL H 5.400 . 6.000 5.461 5.096 5.692 . 0 0 "[ . 1 . 2]" 1
56 1 19 ILE QG 1 20 GLN H 1.900 . 2.400 2.145 2.045 2.226 . 0 0 "[ . 1 . 2]" 1
57 1 19 ILE QG 1 30 TYR QD 1.800 . 2.200 2.178 1.770 2.275 0.075 9 0 "[ . 1 . 2]" 1
58 1 19 ILE QG 1 31 ASN H 6.000 . 6.000 3.780 3.181 4.320 . 0 0 "[ . 1 . 2]" 1
59 1 19 ILE HG12 1 20 GLN HE22 4.600 . 6.000 5.315 4.912 5.548 . 0 0 "[ . 1 . 2]" 1
60 1 19 ILE HG13 1 20 GLN H 2.300 . 2.900 3.024 2.488 3.847 0.947 7 7 "[- *. + * * . * *2]" 1
61 1 19 ILE HG13 1 29 GLN H 5.300 . 6.000 4.525 3.833 5.368 . 0 0 "[ . 1 . 2]" 1
62 1 19 ILE HG13 1 30 TYR QB 3.300 . 4.600 2.746 2.310 3.172 . 0 0 "[ . 1 . 2]" 1
63 1 19 ILE MG 1 21 LEU QB 3.500 . 5.000 3.032 2.106 3.618 . 0 0 "[ . 1 . 2]" 1
64 1 19 ILE MG 1 31 ASN QB 4.000 . 6.000 2.857 1.902 4.524 0.098 11 0 "[ . 1 . 2]" 1
65 1 19 ILE MG 1 30 TYR HA 3.500 . 5.000 2.916 2.763 3.021 . 0 0 "[ . 1 . 2]" 1
66 1 20 GLN H 1 20 GLN HA 2.300 . 3.000 2.939 2.930 2.947 . 0 0 "[ . 1 . 2]" 1
67 1 20 GLN H 1 20 GLN QB 2.200 . 2.800 2.783 2.279 2.946 0.146 4 0 "[ . 1 . 2]" 1
68 1 20 GLN H 1 20 GLN HE22 5.400 . 6.000 4.326 3.993 4.660 . 0 0 "[ . 1 . 2]" 1
69 1 20 GLN H 1 20 GLN QG 2.300 . 2.900 2.526 2.146 3.278 0.378 20 0 "[ . 1 . 2]" 1
70 1 20 GLN H 1 21 LEU H 5.800 . 6.000 4.301 4.196 4.358 . 0 0 "[ . 1 . 2]" 1
71 1 20 GLN H 1 21 LEU H 4.500 . 6.000 4.357 4.233 4.427 . 0 0 "[ . 1 . 2]" 1
72 1 20 GLN H 1 29 GLN H 3.200 . 4.500 3.373 3.207 3.582 . 0 0 "[ . 1 . 2]" 1
73 1 20 GLN H 1 29 GLN HB2 5.400 . 6.000 5.181 3.748 5.599 . 0 0 "[ . 1 . 2]" 1
74 1 20 GLN H 1 29 GLN QB 4.700 . 6.000 3.806 3.354 4.613 . 0 0 "[ . 1 . 2]" 1
75 1 20 GLN H 1 29 GLN QG 6.000 . 6.000 4.551 2.906 5.496 . 0 0 "[ . 1 . 2]" 1
76 1 20 GLN H 1 30 TYR HA 3.400 . 4.900 3.207 2.926 3.423 . 0 0 "[ . 1 . 2]" 1
77 1 20 GLN H 1 30 TYR QD 6.000 . 6.000 4.628 4.121 5.147 . 0 0 "[ . 1 . 2]" 1
78 1 20 GLN H 1 30 TYR QE 6.000 . 6.000 4.410 4.044 4.792 . 0 0 "[ . 1 . 2]" 1
79 1 20 GLN H 1 31 ASN H 5.600 . 6.000 4.275 3.876 4.964 . 0 0 "[ . 1 . 2]" 1
80 1 20 GLN H 1 107 TRP H 3.600 . 5.300 3.455 3.290 3.592 . 0 0 "[ . 1 . 2]" 1
81 1 20 GLN H 1 107 TRP H 2.900 . 3.900 3.465 3.297 3.603 . 0 0 "[ . 1 . 2]" 1
82 1 20 GLN H 1 108 VAL H 3.300 . 4.700 3.387 3.246 3.507 . 0 0 "[ . 1 . 2]" 1
83 1 20 GLN HA 1 98 LYS HA 1.900 . 2.300 1.929 1.745 2.110 . 0 0 "[ . 1 . 2]" 1
84 1 20 GLN HA 1 21 LEU H 1.500 . 2.200 2.124 2.056 2.176 . 0 0 "[ . 1 . 2]" 1
85 1 20 GLN HA 1 108 VAL MG2 2.900 . 4.000 2.214 1.857 3.209 . 0 0 "[ . 1 . 2]" 1
86 1 20 GLN HA 1 98 LYS HA 1.500 . 2.200 1.929 1.745 2.110 . 0 0 "[ . 1 . 2]" 1
87 1 20 GLN HA 1 108 VAL H 3.000 . 4.100 2.972 2.566 3.278 . 0 0 "[ . 1 . 2]" 1
88 1 20 GLN QB 1 20 GLN HE21 3.100 . 4.300 2.716 1.735 3.751 0.165 4 0 "[ . 1 . 2]" 1
89 1 20 GLN QB 1 20 GLN HE22 3.100 . 4.300 3.573 3.194 4.126 . 0 0 "[ . 1 . 2]" 1
90 1 20 GLN QB 1 21 LEU H 3.100 . 4.300 3.143 2.803 3.565 . 0 0 "[ . 1 . 2]" 1
91 1 20 GLN QB 1 106 TYR H 6.000 . 6.000 4.812 4.210 5.382 . 0 0 "[ . 1 . 2]" 1
92 1 20 GLN HE21 1 20 GLN QG 2.600 . 3.400 2.340 2.167 2.809 . 0 0 "[ . 1 . 2]" 1
93 1 20 GLN HE21 1 105 SER QB 4.600 . 6.000 4.244 2.615 5.371 . 0 0 "[ . 1 . 2]" 1
94 1 20 GLN HE21 1 107 TRP HE1 4.100 . 6.000 4.281 3.186 5.672 . 0 0 "[ . 1 . 2]" 1
95 1 20 GLN HE22 1 105 SER QB 3.300 . 4.600 4.035 2.341 5.555 0.955 10 2 "[ . -+ . 2]" 1
96 1 20 GLN HE22 1 107 TRP HE1 4.100 . 6.000 4.339 3.259 5.969 . 0 0 "[ . 1 . 2]" 1
97 1 20 GLN QG 1 30 TYR HB2 4.900 . 6.000 4.888 3.793 5.379 . 0 0 "[ . 1 . 2]" 1
98 1 20 GLN QG 1 21 LEU H 3.800 . 5.600 4.055 3.607 4.353 . 0 0 "[ . 1 . 2]" 1
99 1 20 GLN QG 1 107 TRP HZ2 2.800 . 3.800 3.877 3.613 4.030 0.230 4 0 "[ . 1 . 2]" 1
100 1 20 GLN QG 1 29 GLN HB3 1.800 . 2.200 1.746 1.537 1.892 . 0 0 "[ . 1 . 2]" 1
101 1 20 GLN QG 1 27 ILE MG 2.600 . 3.500 2.286 2.205 2.400 . 0 0 "[ . 1 . 2]" 1
102 1 20 GLN QG 1 29 GLN H 1.800 . 2.200 2.150 1.870 2.302 0.102 19 0 "[ . 1 . 2]" 1
103 1 20 GLN QG 1 28 LEU H 3.200 . 4.500 3.352 3.052 3.629 . 0 0 "[ . 1 . 2]" 1
104 1 20 GLN QG 1 30 TYR H 5.800 . 6.000 4.898 4.604 5.386 . 0 0 "[ . 1 . 2]" 1
105 1 20 GLN QG 1 30 TYR QD 3.900 . 5.800 4.972 3.507 6.310 0.510 19 1 "[ . 1 . +2]" 1
106 1 20 GLN QG 1 107 TRP HE1 4.800 . 6.000 4.950 4.664 5.659 . 0 0 "[ . 1 . 2]" 1
107 1 20 GLN HG2 1 31 ASN H 5.600 . 6.000 3.563 2.517 4.470 . 0 0 "[ . 1 . 2]" 1
108 1 20 GLN HG3 1 27 ILE HA 3.000 . 4.100 2.683 2.216 2.927 . 0 0 "[ . 1 . 2]" 1
109 1 21 LEU H 1 21 LEU HA 2.500 . 3.300 2.950 2.934 2.964 . 0 0 "[ . 1 . 2]" 1
110 1 21 LEU H 1 21 LEU QB . . 3.300 3.099 2.995 3.162 . 0 0 "[ . 1 . 2]" 1
111 1 21 LEU H 1 21 LEU MD1 4.000 . 6.000 3.121 2.869 3.933 . 0 0 "[ . 1 . 2]" 1
112 1 21 LEU H 1 21 LEU MD2 5.100 . 6.000 3.663 2.141 3.822 . 0 0 "[ . 1 . 2]" 1
113 1 21 LEU H 1 21 LEU HG 1.900 . 2.300 2.175 2.059 2.364 0.064 16 0 "[ . 1 . 2]" 1
114 1 21 LEU H 1 67 PHE HZ 5.900 . 6.000 5.448 5.298 5.632 . 0 0 "[ . 1 . 2]" 1
115 1 21 LEU H 1 106 TYR H 2.900 . 3.900 3.529 3.443 3.680 . 0 0 "[ . 1 . 2]" 1
116 1 21 LEU H 1 107 TRP HA 2.000 . 2.500 2.691 2.654 2.740 0.240 17 0 "[ . 1 . 2]" 1
117 1 21 LEU HA 1 21 LEU QB 2.300 . 3.000 2.159 2.153 2.163 . 0 0 "[ . 1 . 2]" 1
118 1 21 LEU HA 1 21 LEU QB 2.100 . 2.700 2.135 2.094 2.154 . 0 0 "[ . 1 . 2]" 1
119 1 21 LEU HA 1 22 ASP H 1.600 . 2.200 2.337 2.254 2.415 0.215 7 0 "[ . 1 . 2]" 1
120 1 21 LEU HA 1 26 ASN H 5.300 . 6.000 5.403 5.104 5.945 . 0 0 "[ . 1 . 2]" 1
121 1 21 LEU HA 1 26 ASN HB3 2.100 . 2.600 2.240 2.168 2.328 . 0 0 "[ . 1 . 2]" 1
122 1 21 LEU HA 1 27 ILE HA 2.000 . 2.500 2.453 2.167 2.625 0.125 14 0 "[ . 1 . 2]" 1
123 1 21 LEU HA 1 27 ILE MG 3.100 . 4.300 3.480 3.100 3.711 . 0 0 "[ . 1 . 2]" 1
124 1 21 LEU HA 1 28 LEU H 1.900 . 2.300 2.105 1.752 2.299 . 0 0 "[ . 1 . 2]" 1
125 1 21 LEU QB 1 21 LEU MD1 2.500 . 3.300 2.215 2.076 2.242 . 0 0 "[ . 1 . 2]" 1
126 1 21 LEU QB 1 21 LEU MD1 2.200 . 6.000 2.214 2.076 2.242 . 0 0 "[ . 1 . 2]" 1
127 1 21 LEU QB 1 22 ASP H 3.900 . 5.800 2.452 2.287 2.603 . 0 0 "[ . 1 . 2]" 1
128 1 21 LEU QB 1 25 GLY H 5.200 . 6.000 4.618 4.097 4.973 . 0 0 "[ . 1 . 2]" 1
129 1 21 LEU QB 1 25 GLY HA2 5.000 . 6.000 4.742 3.580 5.471 . 0 0 "[ . 1 . 2]" 1
130 1 21 LEU QB 1 26 ASN H 4.200 . 6.000 3.983 3.579 4.634 . 0 0 "[ . 1 . 2]" 1
131 1 21 LEU QB 1 27 ILE MG 3.500 . 5.100 3.087 2.758 3.582 . 0 0 "[ . 1 . 2]" 1
132 1 21 LEU QB 1 27 ILE MG 3.900 . 5.800 2.472 1.941 3.153 0.059 4 0 "[ . 1 . 2]" 1
133 1 21 LEU QB 1 28 LEU H 3.000 . 4.100 3.331 2.996 3.560 . 0 0 "[ . 1 . 2]" 1
134 1 21 LEU QB 1 29 GLN H 3.100 . 6.000 4.815 4.618 4.961 . 0 0 "[ . 1 . 2]" 1
135 1 21 LEU QB 1 67 PHE HB3 3.500 . 5.000 4.506 4.217 4.840 . 0 0 "[ . 1 . 2]" 1
136 1 21 LEU QB 1 106 TYR H 5.500 . 6.000 4.676 4.427 4.908 . 0 0 "[ . 1 . 2]" 1
137 1 21 LEU MD1 1 21 LEU HG 1.900 . 2.400 2.125 2.122 2.133 . 0 0 "[ . 1 . 2]" 1
138 1 21 LEU MD1 1 25 GLY H 4.500 . 6.000 4.051 2.892 4.572 . 0 0 "[ . 1 . 2]" 1
139 1 21 LEU MD1 1 25 GLY HA2 3.800 . 5.600 3.595 2.422 4.031 . 0 0 "[ . 1 . 2]" 1
140 1 21 LEU MD1 1 67 PHE QD 4.600 . 6.000 3.868 3.151 4.513 . 0 0 "[ . 1 . 2]" 1
141 1 21 LEU MD1 1 67 PHE QE 3.100 . 4.300 2.114 1.896 2.817 0.004 8 0 "[ . 1 . 2]" 1
142 1 21 LEU MD1 1 67 PHE HZ 2.400 . 3.100 2.480 1.773 3.071 . 0 0 "[ . 1 . 2]" 1
143 1 21 LEU MD1 1 107 TRP H 6.000 . 6.000 4.698 4.431 5.213 . 0 0 "[ . 1 . 2]" 1
144 1 21 LEU MD1 1 108 VAL MG2 3.800 . 5.600 3.302 2.868 4.819 . 0 0 "[ . 1 . 2]" 1
145 1 21 LEU MD2 1 22 ASP H 6.000 . 6.000 4.561 4.424 4.705 . 0 0 "[ . 1 . 2]" 1
146 1 21 LEU MD2 1 23 GLY HA2 3.300 . 4.600 3.328 2.372 4.282 . 0 0 "[ . 1 . 2]" 1
147 1 21 LEU MD2 1 108 VAL HB 2.100 . 2.700 2.123 2.097 2.129 . 0 0 "[ . 1 . 2]" 1
148 1 21 LEU MD2 1 108 VAL MG2 2.100 . 2.600 1.898 1.632 2.078 . 0 0 "[ . 1 . 2]" 1
149 1 21 LEU HG 1 27 ILE MG 3.700 . 6.000 5.208 4.725 5.754 . 0 0 "[ . 1 . 2]" 1
150 1 21 LEU HG 1 97 MET H 4.500 . 6.000 4.412 3.177 5.302 . 0 0 "[ . 1 . 2]" 1
151 1 22 ASP H 1 22 ASP HA 2.700 . 3.600 2.906 2.857 2.948 . 0 0 "[ . 1 . 2]" 1
152 1 22 ASP H 1 22 ASP QB 3.000 . 4.100 2.606 2.047 2.942 . 0 0 "[ . 1 . 2]" 1
153 1 22 ASP H 1 23 GLY H 5.100 . 6.000 4.555 4.153 4.605 . 0 0 "[ . 1 . 2]" 1
154 1 22 ASP H 1 25 GLY H 5.300 . 6.000 4.198 4.017 4.471 . 0 0 "[ . 1 . 2]" 1
155 1 22 ASP H 1 26 ASN H 2.900 . 3.900 3.451 3.108 3.904 0.004 6 0 "[ . 1 . 2]" 1
156 1 22 ASP H 1 27 ILE HA 2.600 . 3.400 3.412 3.017 3.525 0.125 10 0 "[ . 1 . 2]" 1
157 1 22 ASP H 1 27 ILE QG 6.000 . 6.000 4.317 3.239 4.824 . 0 0 "[ . 1 . 2]" 1
158 1 22 ASP H 1 27 ILE MG 5.200 . 6.000 4.951 4.529 5.184 . 0 0 "[ . 1 . 2]" 1
159 1 22 ASP H 1 28 LEU H 4.500 . 6.000 3.759 3.350 4.055 . 0 0 "[ . 1 . 2]" 1
160 1 22 ASP HA 1 71 VAL MG2 4.000 . 6.000 4.091 2.669 4.677 . 0 0 "[ . 1 . 2]" 1
161 1 22 ASP HA 1 22 ASP QB 2.400 . 3.100 2.169 2.138 2.192 . 0 0 "[ . 1 . 2]" 1
162 1 22 ASP HA 1 23 GLY H 1.700 . 2.200 2.288 2.096 2.367 0.167 10 0 "[ . 1 . 2]" 1
163 1 22 ASP HA 1 24 ASP HB2 3.000 . 4.100 2.562 2.377 3.004 . 0 0 "[ . 1 . 2]" 1
164 1 22 ASP HA 1 106 TYR QE 3.900 . 5.800 5.045 4.389 5.362 . 0 0 "[ . 1 . 2]" 1
165 1 22 ASP HA 1 105 SER HA 1.600 . 2.200 1.991 1.383 2.250 0.050 18 0 "[ . 1 . 2]" 1
166 1 22 ASP HA 1 106 TYR H 2.500 . 3.300 2.965 2.345 3.333 0.033 6 0 "[ . 1 . 2]" 1
167 1 22 ASP HA 1 106 TYR QD 3.800 . 5.600 4.598 3.188 5.110 . 0 0 "[ . 1 . 2]" 1
168 1 22 ASP QB 1 23 GLY H 2.800 . 3.700 2.667 2.322 3.760 0.060 18 0 "[ . 1 . 2]" 1
169 1 22 ASP QB 1 28 LEU MD1 3.500 . 5.100 3.525 1.765 4.703 0.135 12 0 "[ . 1 . 2]" 1
170 1 22 ASP QB 1 99 LYS HB2 5.300 . 6.000 5.169 4.097 5.965 . 0 0 "[ . 1 . 2]" 1
171 1 22 ASP HB3 1 27 ILE H 6.000 . 6.000 5.621 4.590 6.132 0.132 5 0 "[ . 1 . 2]" 1
172 1 22 ASP HB3 1 27 ILE MG 3.300 . 4.700 3.184 2.142 3.814 . 0 0 "[ . 1 . 2]" 1
173 1 22 ASP HB3 1 29 GLN HB2 4.700 . 6.000 5.811 4.898 6.390 0.390 11 0 "[ . 1 . 2]" 1
174 1 23 GLY H 1 23 GLY QA 1.600 . 2.200 2.219 2.152 2.228 0.028 15 0 "[ . 1 . 2]" 1
175 1 23 GLY H 1 24 ASP H 2.300 . 3.000 2.880 2.532 3.126 0.126 18 0 "[ . 1 . 2]" 1
176 1 23 GLY H 1 26 ASN H 6.000 . 6.000 5.550 5.272 5.940 . 0 0 "[ . 1 . 2]" 1
177 1 23 GLY H 1 100 ALA H 6.000 . 6.000 4.513 4.400 4.563 . 0 0 "[ . 1 . 2]" 1
178 1 23 GLY H 1 106 TYR QD 3.000 . 4.100 3.787 2.341 4.136 0.036 16 0 "[ . 1 . 2]" 1
179 1 23 GLY H 1 106 TYR QE 3.300 . 4.600 3.994 2.629 4.385 . 0 0 "[ . 1 . 2]" 1
180 1 23 GLY QA 1 24 ASP H 2.600 . 3.400 2.813 2.688 2.897 . 0 0 "[ . 1 . 2]" 1
181 1 23 GLY QA 1 25 GLY H 3.600 . 5.200 3.918 3.463 4.683 . 0 0 "[ . 1 . 2]" 1
182 1 23 GLY QA 1 67 PHE QE 4.000 . 6.000 3.326 2.797 3.857 . 0 0 "[ . 1 . 2]" 1
183 1 23 GLY QA 1 71 VAL MG1 4.000 . 6.000 3.358 2.374 4.401 . 0 0 "[ . 1 . 2]" 1
184 1 23 GLY QA 1 71 VAL MG2 3.000 . 4.100 3.036 2.152 3.744 . 0 0 "[ . 1 . 2]" 1
185 1 23 GLY QA 1 71 VAL MG2 2.700 . 6.000 3.031 2.152 3.722 . 0 0 "[ . 1 . 2]" 1
186 1 23 GLY QA 1 106 TYR QD 2.400 . 3.100 2.225 1.708 2.661 . 0 0 "[ . 1 . 2]" 1
187 1 23 GLY QA 1 106 TYR QE 1.500 . 2.200 2.010 1.749 2.214 0.014 11 0 "[ . 1 . 2]" 1
188 1 23 GLY HA2 1 67 PHE HA 1.500 . 2.200 1.759 1.755 1.764 . 0 0 "[ . 1 . 2]" 1
189 1 24 ASP H 1 24 ASP HA 2.900 . 3.900 2.913 2.788 2.946 . 0 0 "[ . 1 . 2]" 1
190 1 24 ASP H 1 24 ASP HB2 2.300 . 3.000 2.785 2.318 3.582 0.582 18 1 "[ . 1 . + 2]" 1
191 1 24 ASP H 1 24 ASP HB3 3.400 . 4.800 2.772 2.373 3.604 . 0 0 "[ . 1 . 2]" 1
192 1 24 ASP H 1 25 GLY H 2.300 . 2.900 2.041 1.696 2.650 0.004 6 0 "[ . 1 . 2]" 1
193 1 24 ASP H 1 26 ASN H 4.300 . 6.000 3.440 3.001 4.264 . 0 0 "[ . 1 . 2]" 1
194 1 24 ASP H 1 26 ASN HD22 6.000 . 6.000 4.502 3.926 5.283 . 0 0 "[ . 1 . 2]" 1
195 1 24 ASP H 1 67 PHE QE 6.000 . 6.000 4.942 3.963 5.869 . 0 0 "[ . 1 . 2]" 1
196 1 24 ASP H 1 67 PHE HZ 6.000 . 6.000 4.481 3.079 6.029 0.029 13 0 "[ . 1 . 2]" 1
197 1 24 ASP HA 1 24 ASP HB3 3.000 . 4.100 2.970 2.554 3.027 . 0 0 "[ . 1 . 2]" 1
198 1 24 ASP HA 1 25 GLY H 3.600 . 5.200 3.497 3.354 3.612 . 0 0 "[ . 1 . 2]" 1
199 1 24 ASP HA 1 71 VAL MG2 3.600 . 5.200 2.789 2.486 3.032 . 0 0 "[ . 1 . 2]" 1
200 1 24 ASP HB2 1 25 GLY H 4.600 . 6.000 3.784 3.052 4.091 . 0 0 "[ . 1 . 2]" 1
201 1 24 ASP HB2 1 26 ASN H 5.300 . 6.000 4.762 3.342 5.449 . 0 0 "[ . 1 . 2]" 1
202 1 24 ASP HB2 1 26 ASN HD21 4.200 . 6.000 4.264 2.389 5.655 . 0 0 "[ . 1 . 2]" 1
203 1 24 ASP HB2 1 26 ASN HD22 4.900 . 6.000 4.803 3.605 6.985 0.985 18 1 "[ . 1 . + 2]" 1
204 1 24 ASP HB2 1 105 SER HA 3.200 . 6.000 6.250 6.054 6.689 0.689 9 3 "[ - . +1 . * 2]" 1
205 1 24 ASP HB3 1 25 GLY H 4.100 . 6.000 2.887 2.315 4.020 . 0 0 "[ . 1 . 2]" 1
206 1 24 ASP HB3 1 26 ASN H 5.800 . 6.000 3.517 3.079 4.325 . 0 0 "[ . 1 . 2]" 1
207 1 24 ASP HB3 1 26 ASN HD22 4.300 . 6.000 3.441 2.441 5.394 . 0 0 "[ . 1 . 2]" 1
208 1 25 GLY H 1 25 GLY HA2 2.600 . 3.400 2.557 2.391 2.846 . 0 0 "[ . 1 . 2]" 1
209 1 25 GLY H 1 26 ASN H 1.900 . 2.400 1.877 1.693 2.145 . 0 0 "[ . 1 . 2]" 1
210 1 25 GLY H 1 67 PHE QE 4.700 . 6.000 4.813 3.568 5.703 . 0 0 "[ . 1 . 2]" 1
211 1 25 GLY H 1 67 PHE HZ 3.800 . 5.600 4.348 3.075 5.386 . 0 0 "[ . 1 . 2]" 1
212 1 25 GLY HA2 1 26 ASN H 3.700 . 5.400 3.139 2.843 3.563 . 0 0 "[ . 1 . 2]" 1
213 1 25 GLY HA2 1 27 ILE MD 4.100 . 6.000 4.393 4.111 4.622 . 0 0 "[ . 1 . 2]" 1
214 1 25 GLY HA3 1 26 ASN H 4.200 . 6.000 3.401 3.071 3.540 . 0 0 "[ . 1 . 2]" 1
215 1 25 GLY HA3 1 27 ILE HB 2.400 . 3.100 2.396 2.216 2.458 . 0 0 "[ . 1 . 2]" 1
216 1 25 GLY HA3 1 48 LYS HB3 2.200 . 2.800 2.249 2.184 2.278 . 0 0 "[ . 1 . 2]" 1
217 1 26 ASN H 1 26 ASN HA 2.500 . 3.300 2.941 2.857 2.962 . 0 0 "[ . 1 . 2]" 1
218 1 26 ASN H 1 26 ASN HB2 3.100 . 4.300 2.846 2.308 3.986 . 0 0 "[ . 1 . 2]" 1
219 1 26 ASN H 1 26 ASN HB3 3.100 . 4.300 3.695 3.264 3.882 . 0 0 "[ . 1 . 2]" 1
220 1 26 ASN H 1 26 ASN HD21 3.600 . 5.200 2.539 1.696 3.057 0.304 15 0 "[ . 1 . 2]" 1
221 1 26 ASN H 1 26 ASN HD22 5.600 . 6.000 3.822 3.319 4.403 . 0 0 "[ . 1 . 2]" 1
222 1 26 ASN H 1 27 ILE H 3.500 . 5.000 4.460 4.378 4.595 . 0 0 "[ . 1 . 2]" 1
223 1 26 ASN H 1 27 ILE QG 6.000 . 6.000 4.811 4.087 5.217 . 0 0 "[ . 1 . 2]" 1
224 1 26 ASN H 1 67 PHE HZ 4.500 . 6.000 5.490 4.458 6.069 0.069 18 0 "[ . 1 . 2]" 1
225 1 26 ASN HA 1 26 ASN HB2 3.100 . 4.300 2.849 2.127 3.007 . 0 0 "[ . 1 . 2]" 1
226 1 26 ASN HA 1 26 ASN HB3 2.700 . 3.600 2.295 1.862 2.585 . 0 0 "[ . 1 . 2]" 1
227 1 26 ASN HA 1 27 ILE H 1.600 . 2.200 2.259 2.113 2.328 0.128 20 0 "[ . 1 . 2]" 1
228 1 26 ASN HA 1 27 ILE QG 2.900 . 4.000 1.926 1.819 2.071 . 0 0 "[ . 1 . 2]" 1
229 1 26 ASN HB2 1 26 ASN HB3 1.600 . 2.200 1.758 1.754 1.760 . 0 0 "[ . 1 . 2]" 1
230 1 26 ASN HB2 1 26 ASN HD21 3.100 . 4.300 2.471 2.190 3.527 . 0 0 "[ . 1 . 2]" 1
231 1 26 ASN HB2 1 27 ILE H 3.400 . 4.800 3.662 2.319 4.438 . 0 0 "[ . 1 . 2]" 1
232 1 26 ASN HB3 1 26 ASN HD21 3.000 . 4.100 3.377 2.217 3.509 . 0 0 "[ . 1 . 2]" 1
233 1 26 ASN HB3 1 26 ASN HD22 4.000 . 6.000 4.010 3.476 4.071 . 0 0 "[ . 1 . 2]" 1
234 1 26 ASN HB3 1 27 ILE H 3.400 . 4.900 3.010 2.561 3.901 . 0 0 "[ . 1 . 2]" 1
235 1 27 ILE H 1 27 ILE HA 2.300 . 3.000 2.880 2.833 2.925 . 0 0 "[ . 1 . 2]" 1
236 1 27 ILE H 1 27 ILE HB 1.600 . 2.200 2.314 2.255 2.434 0.234 6 0 "[ . 1 . 2]" 1
237 1 27 ILE H 1 27 ILE MD 3.300 . 4.700 3.335 3.123 3.586 . 0 0 "[ . 1 . 2]" 1
238 1 27 ILE H 1 27 ILE QG 2.700 . 2.900 2.114 1.776 2.350 0.024 20 0 "[ . 1 . 2]" 1
239 1 27 ILE H 1 27 ILE QG 2.200 . 2.800 2.110 1.775 2.345 . 0 0 "[ . 1 . 2]" 1
240 1 27 ILE H 1 27 ILE MG 4.000 . 6.000 3.687 3.639 3.736 . 0 0 "[ . 1 . 2]" 1
241 1 27 ILE H 1 28 LEU H 5.600 . 6.000 4.556 4.458 4.613 . 0 0 "[ . 1 . 2]" 1
242 1 27 ILE H 1 28 LEU HA 6.000 . 6.000 4.966 4.810 5.176 . 0 0 "[ . 1 . 2]" 1
243 1 27 ILE H 1 47 GLY H 6.000 . 6.000 4.813 4.097 5.332 . 0 0 "[ . 1 . 2]" 1
244 1 27 ILE H 1 48 LYS H 3.000 . 4.100 3.200 2.479 3.614 . 0 0 "[ . 1 . 2]" 1
245 1 27 ILE H 1 48 LYS HB3 1.600 . 2.200 2.109 1.783 2.277 0.077 1 0 "[ . 1 . 2]" 1
246 1 27 ILE H 1 50 PHE H 4.100 . 6.000 5.432 4.823 5.975 . 0 0 "[ . 1 . 2]" 1
247 1 27 ILE HA 1 46 ILE HB 3.200 . 4.500 2.610 2.248 2.828 . 0 0 "[ . 1 . 2]" 1
248 1 27 ILE HA 1 27 ILE HB 2.000 . 2.500 2.119 1.937 2.379 . 0 0 "[ . 1 . 2]" 1
249 1 27 ILE HA 1 27 ILE QG 2.800 . 3.800 2.683 2.216 2.927 . 0 0 "[ . 1 . 2]" 1
250 1 27 ILE HA 1 27 ILE MG 2.200 . 2.800 2.289 2.186 2.375 . 0 0 "[ . 1 . 2]" 1
251 1 27 ILE HA 1 28 LEU H 1.500 . 2.200 2.215 2.126 2.269 0.069 19 0 "[ . 1 . 2]" 1
252 1 27 ILE HA 1 29 GLN H 3.700 . 5.400 4.290 4.059 4.510 . 0 0 "[ . 1 . 2]" 1
253 1 27 ILE HA 1 46 ILE HA 3.100 . 4.300 4.212 3.984 4.382 0.082 14 0 "[ . 1 . 2]" 1
254 1 27 ILE HB 1 27 ILE QG 1.900 . 2.400 2.196 2.138 2.368 . 0 0 "[ . 1 . 2]" 1
255 1 27 ILE HB 1 27 ILE QG 2.200 . 2.800 1.922 1.893 1.984 . 0 0 "[ . 1 . 2]" 1
256 1 27 ILE HB 1 28 LEU H 4.300 . 6.000 3.929 3.750 4.110 . 0 0 "[ . 1 . 2]" 1
257 1 27 ILE HB 1 28 LEU H 5.600 . 6.000 3.814 3.639 3.969 . 0 0 "[ . 1 . 2]" 1
258 1 27 ILE HB 1 47 GLY HA3 3.000 . 4.100 2.522 2.249 2.729 . 0 0 "[ . 1 . 2]" 1
259 1 27 ILE HB 1 47 GLY HA3 3.700 . 5.400 2.653 2.309 2.872 . 0 0 "[ . 1 . 2]" 1
260 1 27 ILE HB 1 46 ILE HA 2.200 . 2.800 2.566 1.968 2.955 0.155 11 0 "[ . 1 . 2]" 1
261 1 27 ILE HB 1 46 ILE HA 2.600 . 3.400 2.558 1.967 2.937 . 0 0 "[ . 1 . 2]" 1
262 1 27 ILE HB 1 47 GLY H 2.800 . 3.800 2.923 2.283 3.518 . 0 0 "[ . 1 . 2]" 1
263 1 27 ILE HB 1 48 LYS H 1.900 . 2.300 2.344 1.895 2.466 0.166 19 0 "[ . 1 . 2]" 1
264 1 27 ILE MD 1 27 ILE MG 1.900 . 6.000 1.986 1.888 2.086 . 0 0 "[ . 1 . 2]" 1
265 1 27 ILE MD 1 28 LEU HA 5.100 . 6.000 4.475 3.482 5.252 . 0 0 "[ . 1 . 2]" 1
266 1 27 ILE MD 1 47 GLY HA3 5.600 . 6.000 4.514 3.482 5.504 . 0 0 "[ . 1 . 2]" 1
267 1 27 ILE QG 1 27 ILE MG 2.300 . 3.000 2.296 2.216 2.423 . 0 0 "[ . 1 . 2]" 1
268 1 27 ILE QG 1 47 GLY HA3 3.200 . 3.400 2.347 1.888 3.823 0.423 9 0 "[ . 1 . 2]" 1
269 1 27 ILE QG 1 29 GLN H 3.800 . 5.600 4.161 3.103 4.361 . 0 0 "[ . 1 . 2]" 1
270 1 27 ILE QG 1 46 ILE H 6.000 . 6.000 4.610 2.355 5.889 . 0 0 "[ . 1 . 2]" 1
271 1 27 ILE QG 1 46 ILE HA 3.000 . 3.900 3.291 2.698 3.794 . 0 0 "[ . 1 . 2]" 1
272 1 27 ILE QG 1 46 ILE HB 3.700 . 5.400 4.728 3.024 5.300 . 0 0 "[ . 1 . 2]" 1
273 1 27 ILE QG 1 47 GLY H 4.600 . 6.000 3.638 1.873 4.732 0.127 20 0 "[ . 1 . 2]" 1
274 1 27 ILE QG 1 48 LYS H 3.200 . 4.500 2.813 1.638 3.820 0.262 15 0 "[ . 1 . 2]" 1
275 1 27 ILE MG 1 28 LEU H 2.200 . 2.800 2.322 2.126 2.735 . 0 0 "[ . 1 . 2]" 1
276 1 27 ILE MG 1 46 ILE HB 3.200 . 4.500 3.185 2.137 3.996 . 0 0 "[ . 1 . 2]" 1
277 1 28 LEU H 1 28 LEU HA 2.700 . 3.600 2.939 2.907 2.954 . 0 0 "[ . 1 . 2]" 1
278 1 28 LEU H 1 28 LEU QB 2.500 . 3.300 2.419 2.336 2.554 . 0 0 "[ . 1 . 2]" 1
279 1 28 LEU H 1 28 LEU MD1 4.600 . 6.000 4.168 3.768 4.344 . 0 0 "[ . 1 . 2]" 1
280 1 28 LEU H 1 28 LEU MD2 4.400 . 6.000 4.213 3.360 4.495 . 0 0 "[ . 1 . 2]" 1
281 1 28 LEU H 1 28 LEU HG 3.600 . 5.200 4.168 2.465 4.711 . 0 0 "[ . 1 . 2]" 1
282 1 28 LEU H 1 29 GLN H 1.800 . 2.200 2.258 2.142 2.373 0.173 8 0 "[ . 1 . 2]" 1
283 1 28 LEU H 1 48 LYS HB3 4.100 . 6.000 6.039 5.848 6.111 0.111 8 0 "[ . 1 . 2]" 1
284 1 28 LEU HA 1 28 LEU HB2 2.100 . 2.600 2.022 1.990 2.078 . 0 0 "[ . 1 . 2]" 1
285 1 28 LEU HA 1 28 LEU HG 2.300 . 3.000 1.941 1.834 2.179 . 0 0 "[ . 1 . 2]" 1
286 1 28 LEU HA 1 28 LEU HG 2.800 . 3.800 3.143 2.987 3.725 . 0 0 "[ . 1 . 2]" 1
287 1 28 LEU HA 1 29 GLN H 3.300 . 4.700 3.564 3.528 3.591 . 0 0 "[ . 1 . 2]" 1
288 1 28 LEU MD2 1 105 SER QB 3.300 . 4.700 3.357 2.480 4.010 . 0 0 "[ . 1 . 2]" 1
289 1 28 LEU HG 1 29 GLN H 3.000 . 4.100 3.876 3.467 4.287 0.187 14 0 "[ . 1 . 2]" 1
290 1 29 GLN H 1 29 GLN HA 2.400 . 3.100 2.909 2.867 2.953 . 0 0 "[ . 1 . 2]" 1
291 1 29 GLN H 1 29 GLN HB2 3.100 . 4.300 3.318 2.714 3.998 . 0 0 "[ . 1 . 2]" 1
292 1 29 GLN H 1 29 GLN QB 2.500 . 3.300 2.771 2.595 3.210 . 0 0 "[ . 1 . 2]" 1
293 1 29 GLN H 1 29 GLN HB3 2.800 . 3.800 3.048 2.727 3.863 0.063 6 0 "[ . 1 . 2]" 1
294 1 29 GLN H 1 30 TYR H 5.300 . 6.000 4.206 3.919 4.435 . 0 0 "[ . 1 . 2]" 1
295 1 29 GLN HA 1 29 GLN HB2 2.100 . 2.700 2.520 2.414 3.023 0.323 11 0 "[ . 1 . 2]" 1
296 1 29 GLN HA 1 29 GLN QG 2.900 . 4.000 2.625 2.360 3.361 . 0 0 "[ . 1 . 2]" 1
297 1 29 GLN HA 1 30 TYR H 1.800 . 2.200 2.172 2.120 2.243 0.043 6 0 "[ . 1 . 2]" 1
298 1 29 GLN HA 1 32 ALA MB 2.500 . 3.300 2.347 2.140 2.491 . 0 0 "[ . 1 . 2]" 1
299 1 29 GLN HA 1 46 ILE MD 3.600 . 5.300 3.544 2.096 4.478 . 0 0 "[ . 1 . 2]" 1
300 1 29 GLN QB 1 29 GLN HE21 4.000 . 6.000 3.096 1.734 4.009 0.266 8 0 "[ . 1 . 2]" 1
301 1 29 GLN QB 1 30 TYR H 3.800 . 5.600 3.554 2.691 3.891 . 0 0 "[ . 1 . 2]" 1
302 1 29 GLN HB2 1 29 GLN HE21 4.500 . 6.000 3.533 1.754 4.593 0.246 8 0 "[ . 1 . 2]" 1
303 1 29 GLN HB2 1 30 TYR H 3.900 . 5.800 4.094 2.911 4.445 . 0 0 "[ . 1 . 2]" 1
304 1 29 GLN HB3 1 29 GLN HE21 4.300 . 6.000 3.661 1.780 4.534 0.220 17 0 "[ . 1 . 2]" 1
305 1 29 GLN HB3 1 30 TYR H 3.400 . 4.800 3.973 2.740 4.343 . 0 0 "[ . 1 . 2]" 1
306 1 29 GLN HB3 1 31 ASN HD22 4.900 . 6.000 4.249 3.073 6.094 0.094 19 0 "[ . 1 . 2]" 1
307 1 29 GLN HE21 1 29 GLN QG 2.800 . 3.700 2.331 2.155 2.805 . 0 0 "[ . 1 . 2]" 1
308 1 29 GLN QG 1 30 TYR H 2.900 . 4.000 2.928 2.318 3.983 . 0 0 "[ . 1 . 2]" 1
309 1 29 GLN QG 1 31 ASN HD22 5.700 . 6.000 3.822 2.478 6.096 0.096 11 0 "[ . 1 . 2]" 1
310 1 30 TYR H 1 30 TYR HA 3.000 . 4.100 2.939 2.905 2.955 . 0 0 "[ . 1 . 2]" 1
311 1 30 TYR H 1 30 TYR QB 2.400 . 3.100 2.426 2.265 2.584 . 0 0 "[ . 1 . 2]" 1
312 1 30 TYR HA 1 30 TYR QB 2.200 . 2.800 2.364 2.282 2.424 . 0 0 "[ . 1 . 2]" 1
313 1 30 TYR HA 1 30 TYR QD 2.300 . 3.000 2.613 2.145 3.008 0.008 13 0 "[ . 1 . 2]" 1
314 1 30 TYR HA 1 31 ASN H 1.600 . 2.200 2.181 2.127 2.269 0.069 3 0 "[ . 1 . 2]" 1
315 1 30 TYR HB2 1 45 VAL MG1 2.600 . 6.000 3.548 1.671 6.059 0.059 9 0 "[ . 1 . 2]" 1
316 1 30 TYR QB 1 30 TYR QD 1.900 . 2.300 2.144 2.133 2.188 . 0 0 "[ . 1 . 2]" 1
317 1 30 TYR QB 1 31 ASN H 4.500 . 6.000 3.765 3.424 3.963 . 0 0 "[ . 1 . 2]" 1
318 1 30 TYR QB 1 46 ILE MD 5.400 . 6.000 3.813 1.794 6.098 0.098 12 0 "[ . 1 . 2]" 1
319 1 30 TYR QD 1 30 TYR QE 1.700 . 2.200 2.185 2.184 2.187 . 0 0 "[ . 1 . 2]" 1
320 1 30 TYR QD 1 31 ASN H 3.600 . 5.200 3.345 2.770 4.080 . 0 0 "[ . 1 . 2]" 1
321 1 30 TYR QD 1 31 ASN H 4.000 . 6.000 3.336 2.769 4.077 . 0 0 "[ . 1 . 2]" 1
322 1 30 TYR QD 1 31 ASN HB3 2.300 . 3.000 2.389 2.283 2.647 . 0 0 "[ . 1 . 2]" 1
323 1 30 TYR QD 1 32 ALA HA 5.200 . 6.000 4.778 2.700 6.051 0.051 19 0 "[ . 1 . 2]" 1
324 1 30 TYR QE 1 32 ALA HA 4.700 . 6.000 4.071 2.000 5.376 0.000 7 0 "[ . 1 . 2]" 1
325 1 31 ASN H 1 31 ASN HA 2.700 . 3.600 2.925 2.890 2.951 . 0 0 "[ . 1 . 2]" 1
326 1 31 ASN H 1 31 ASN QB 3.000 . 4.100 2.531 2.361 3.143 . 0 0 "[ . 1 . 2]" 1
327 1 31 ASN H 1 32 ALA H 6.000 . 6.000 4.179 3.949 4.537 . 0 0 "[ . 1 . 2]" 1
328 1 31 ASN H 1 108 VAL MG2 6.000 . 6.000 4.791 4.170 5.423 . 0 0 "[ . 1 . 2]" 1
329 1 31 ASN HA 1 31 ASN QB 2.100 . 2.700 2.092 1.995 2.143 . 0 0 "[ . 1 . 2]" 1
330 1 31 ASN HA 1 31 ASN HD21 4.400 . 6.000 3.878 2.723 4.463 . 0 0 "[ . 1 . 2]" 1
331 1 31 ASN HA 1 31 ASN HD22 5.300 . 6.000 4.419 3.827 4.856 . 0 0 "[ . 1 . 2]" 1
332 1 31 ASN HA 1 32 ALA H 2.000 . 2.500 2.181 2.107 2.413 . 0 0 "[ . 1 . 2]" 1
333 1 31 ASN HA 1 32 ALA MB 4.700 . 6.000 3.525 3.269 3.732 . 0 0 "[ . 1 . 2]" 1
334 1 31 ASN QB 1 31 ASN HD21 2.200 . 2.800 2.225 2.156 2.767 . 0 0 "[ . 1 . 2]" 1
335 1 31 ASN QB 1 31 ASN HD22 3.400 . 4.800 3.288 3.217 3.470 . 0 0 "[ . 1 . 2]" 1
336 1 31 ASN QB 1 32 ALA H 3.700 . 5.400 3.466 2.487 3.751 . 0 0 "[ . 1 . 2]" 1
337 1 31 ASN QB 1 33 ALA MB 4.100 . 6.000 4.602 3.288 5.048 . 0 0 "[ . 1 . 2]" 1
338 1 31 ASN HD21 1 107 TRP HZ3 2.700 . 3.600 2.731 2.156 3.621 0.021 8 0 "[ . 1 . 2]" 1
339 1 31 ASN HD22 1 107 TRP HZ3 2.100 . 2.600 2.363 1.771 2.680 0.080 6 0 "[ . 1 . 2]" 1
340 1 32 ALA H 1 32 ALA HA 2.900 . 3.900 2.864 2.262 2.949 . 0 0 "[ . 1 . 2]" 1
341 1 32 ALA H 1 32 ALA MB 2.900 . 3.900 2.536 2.258 2.989 . 0 0 "[ . 1 . 2]" 1
342 1 32 ALA HA 1 33 ALA MB 2.400 . 3.100 2.063 1.983 2.117 . 0 0 "[ . 1 . 2]" 1
343 1 33 ALA H 1 33 ALA HA 2.500 . 3.300 2.893 2.789 2.951 . 0 0 "[ . 1 . 2]" 1
344 1 33 ALA H 1 33 ALA MB 2.700 . 3.600 2.415 2.233 2.706 . 0 0 "[ . 1 . 2]" 1
345 1 33 ALA H 1 34 GLU H 4.900 . 6.000 4.176 3.495 4.548 . 0 0 "[ . 1 . 2]" 1
346 1 33 ALA HA 1 33 ALA MB 2.900 . 3.900 2.129 2.125 2.136 . 0 0 "[ . 1 . 2]" 1
347 1 33 ALA HA 1 34 GLU H 2.100 . 2.700 2.183 2.121 2.253 . 0 0 "[ . 1 . 2]" 1
348 1 33 ALA HA 1 35 GLY HA3 2.500 . 3.300 2.312 2.166 2.391 . 0 0 "[ . 1 . 2]" 1
349 1 33 ALA MB 1 34 GLU H 3.900 . 5.800 3.281 2.706 3.585 . 0 0 "[ . 1 . 2]" 1
350 1 34 GLU H 1 34 GLU HA 3.000 . 4.100 2.775 2.249 2.947 . 0 0 "[ . 1 . 2]" 1
351 1 34 GLU H 1 34 GLU HB2 3.400 . 4.900 3.084 2.420 3.820 . 0 0 "[ . 1 . 2]" 1
352 1 34 GLU H 1 34 GLU QB 3.000 . 4.100 2.765 2.386 3.369 . 0 0 "[ . 1 . 2]" 1
353 1 34 GLU H 1 34 GLU HB3 3.800 . 5.600 3.397 2.553 4.107 . 0 0 "[ . 1 . 2]" 1
354 1 34 GLU H 1 34 GLU QG 4.200 . 6.000 2.995 1.980 4.468 0.020 19 0 "[ . 1 . 2]" 1
355 1 34 GLU HA 1 34 GLU QG 3.600 . 5.200 2.757 2.374 3.346 . 0 0 "[ . 1 . 2]" 1
356 1 34 GLU HA 1 35 GLY H 2.400 . 3.100 2.528 2.115 3.181 0.081 18 0 "[ . 1 . 2]" 1
357 1 34 GLU QB 1 35 GLY H 4.500 . 6.000 3.489 1.972 4.028 . 0 0 "[ . 1 . 2]" 1
358 1 34 GLU HB2 1 35 GLY H 4.900 . 6.000 4.098 3.237 4.601 . 0 0 "[ . 1 . 2]" 1
359 1 34 GLU HB3 1 35 GLY H 5.000 . 6.000 3.913 1.989 4.592 . 0 0 "[ . 1 . 2]" 1
360 1 34 GLU QG 1 35 GLY H 5.500 . 6.000 4.111 3.043 4.938 . 0 0 "[ . 1 . 2]" 1
361 1 35 GLY H 1 35 GLY HA2 3.000 . 4.100 2.703 2.309 2.956 . 0 0 "[ . 1 . 2]" 1
362 1 35 GLY H 1 36 ASP H 5.500 . 6.000 3.001 1.821 4.299 . 0 0 "[ . 1 . 2]" 1
363 1 35 GLY HA2 1 36 ASP H 3.400 . 4.900 3.119 2.211 3.558 . 0 0 "[ . 1 . 2]" 1
364 1 35 GLY HA3 1 36 ASP H 3.400 . 4.800 2.917 2.168 3.552 . 0 0 "[ . 1 . 2]" 1
365 1 36 ASP H 1 36 ASP HA 2.600 . 3.400 2.899 2.860 2.946 . 0 0 "[ . 1 . 2]" 1
366 1 36 ASP H 1 36 ASP HB2 3.100 . 4.300 2.945 2.382 3.998 . 0 0 "[ . 1 . 2]" 1
367 1 36 ASP H 1 36 ASP HB3 3.600 . 5.200 3.056 2.463 3.854 . 0 0 "[ . 1 . 2]" 1
368 1 36 ASP H 1 37 ILE H 5.200 . 6.000 4.247 3.625 4.591 . 0 0 "[ . 1 . 2]" 1
369 1 36 ASP H 1 37 ILE HG12 6.000 . 6.000 5.486 3.936 6.726 0.726 9 1 "[ . +1 . 2]" 1
370 1 36 ASP HA 1 36 ASP HB3 3.000 . 4.100 2.751 2.381 3.033 . 0 0 "[ . 1 . 2]" 1
371 1 36 ASP HA 1 37 ILE H 1.800 . 2.200 2.188 2.060 2.306 0.106 9 0 "[ . 1 . 2]" 1
372 1 36 ASP HA 1 37 ILE MG 3.100 . 4.300 2.311 2.014 3.112 . 0 0 "[ . 1 . 2]" 1
373 1 36 ASP HB2 1 37 ILE H 4.900 . 6.000 4.114 2.746 4.507 . 0 0 "[ . 1 . 2]" 1
374 1 36 ASP HB2 1 38 THR H 6.000 . 6.000 4.941 3.315 6.074 0.074 19 0 "[ . 1 . 2]" 1
375 1 36 ASP HB3 1 37 ILE H 5.000 . 6.000 3.957 2.677 4.500 . 0 0 "[ . 1 . 2]" 1
376 1 36 ASP HB3 1 38 THR H 6.000 . 6.000 4.578 2.771 6.032 0.032 5 0 "[ . 1 . 2]" 1
377 1 37 ILE H 1 37 ILE HA 2.900 . 4.000 2.818 2.262 2.952 . 0 0 "[ . 1 . 2]" 1
378 1 37 ILE H 1 37 ILE HB 3.300 . 4.700 3.063 2.356 3.825 . 0 0 "[ . 1 . 2]" 1
379 1 37 ILE H 1 37 ILE MD 4.600 . 6.000 3.390 1.978 4.284 0.022 18 0 "[ . 1 . 2]" 1
380 1 37 ILE H 1 37 ILE HG12 3.000 . 4.100 2.690 1.881 3.883 0.019 7 0 "[ . 1 . 2]" 1
381 1 37 ILE H 1 37 ILE MG 4.500 . 6.000 3.407 2.266 3.833 . 0 0 "[ . 1 . 2]" 1
382 1 37 ILE HA 1 37 ILE MD 3.400 . 4.800 3.569 2.005 4.042 . 0 0 "[ . 1 . 2]" 1
383 1 37 ILE HB 1 37 ILE MD 2.700 . 3.600 2.571 2.235 3.238 . 0 0 "[ . 1 . 2]" 1
384 1 37 ILE HB 1 38 THR H 3.400 . 4.800 3.676 2.070 4.234 . 0 0 "[ . 1 . 2]" 1
385 1 37 ILE MD 1 38 THR H 3.000 . 6.000 4.692 3.620 5.491 . 0 0 "[ . 1 . 2]" 1
386 1 38 THR H 1 38 THR HA 2.600 . 3.400 2.736 2.243 2.945 . 0 0 "[ . 1 . 2]" 1
387 1 38 THR H 1 38 THR HB 3.200 . 4.500 3.057 2.459 3.711 . 0 0 "[ . 1 . 2]" 1
388 1 38 THR H 1 38 THR MG 4.100 . 6.000 3.215 1.910 3.884 0.090 5 0 "[ . 1 . 2]" 1
389 1 38 THR HA 1 38 THR MG 3.500 . 5.100 2.387 2.065 3.152 . 0 0 "[ . 1 . 2]" 1
390 1 38 THR HA 1 39 GLY H 2.400 . 3.100 2.433 2.216 2.726 . 0 0 "[ . 1 . 2]" 1
391 1 38 THR HA 1 39 GLY HA2 3.500 . 5.000 3.708 3.634 3.807 . 0 0 "[ . 1 . 2]" 1
392 1 38 THR HB 1 39 GLY HA2 3.900 . 5.800 5.026 4.109 6.348 0.548 5 1 "[ + 1 . 2]" 1
393 1 38 THR HB 1 39 GLY QA 4.400 . 6.000 4.432 3.751 5.364 . 0 0 "[ . 1 . 2]" 1
394 1 38 THR MG 1 39 GLY H 5.400 . 6.000 3.149 1.788 4.264 0.012 20 0 "[ . 1 . 2]" 1
395 1 39 GLY H 1 39 GLY QA 2.600 . 3.500 2.353 2.195 2.488 . 0 0 "[ . 1 . 2]" 1
396 1 39 GLY H 1 40 ARG H 4.900 . 6.000 3.512 2.217 4.484 . 0 0 "[ . 1 . 2]" 1
397 1 39 GLY QA 1 40 ARG H 2.500 . 3.300 2.333 2.085 2.905 . 0 0 "[ . 1 . 2]" 1
398 1 39 GLY HA2 1 40 ARG H 2.900 . 4.000 2.795 2.119 3.575 . 0 0 "[ . 1 . 2]" 1
399 1 39 GLY HA3 1 40 ARG H 2.800 . 3.800 2.927 2.141 3.541 . 0 0 "[ . 1 . 2]" 1
400 1 40 ARG H 1 40 ARG HA 2.400 . 3.100 2.916 2.845 2.952 . 0 0 "[ . 1 . 2]" 1
401 1 40 ARG H 1 40 ARG QB 2.200 . 2.800 2.600 2.240 2.908 0.108 6 0 "[ . 1 . 2]" 1
402 1 40 ARG H 1 40 ARG QD 6.000 . 6.000 3.975 1.789 4.588 . 0 0 "[ . 1 . 2]" 1
403 1 40 ARG H 1 40 ARG QG 2.400 . 3.100 2.586 1.889 3.165 0.065 19 0 "[ . 1 . 2]" 1
404 1 40 ARG H 1 41 ASP H 5.800 . 6.000 4.140 2.824 4.589 . 0 0 "[ . 1 . 2]" 1
405 1 40 ARG HA 1 40 ARG QD 4.700 . 6.000 3.765 2.042 4.569 . 0 0 "[ . 1 . 2]" 1
406 1 40 ARG HA 1 41 ASP H 2.100 . 2.700 2.340 2.132 2.710 0.010 4 0 "[ . 1 . 2]" 1
407 1 40 ARG QB 1 40 ARG QD 2.600 . 3.400 2.222 2.087 2.931 . 0 0 "[ . 1 . 2]" 1
408 1 40 ARG QB 1 41 ASP H 3.900 . 5.800 3.198 2.244 4.010 . 0 0 "[ . 1 . 2]" 1
409 1 40 ARG QD 1 41 ASP H 5.300 . 6.000 4.993 3.537 6.033 0.033 2 0 "[ . 1 . 2]" 1
410 1 41 ASP H 1 41 ASP HB2 3.000 . 4.100 2.991 2.362 3.980 . 0 0 "[ . 1 . 2]" 1
411 1 41 ASP H 1 41 ASP HB3 3.600 . 5.200 2.901 2.416 3.675 . 0 0 "[ . 1 . 2]" 1
412 1 41 ASP H 1 43 LYS H 6.000 . 6.000 5.259 4.738 5.944 . 0 0 "[ . 1 . 2]" 1
413 1 41 ASP HA 1 42 PRO HD2 2.200 . 2.800 2.379 1.846 2.756 . 0 0 "[ . 1 . 2]" 1
414 1 41 ASP HA 1 42 PRO HD3 2.800 . 3.800 2.088 1.625 2.580 0.175 13 0 "[ . 1 . 2]" 1
415 1 41 ASP HA 1 42 PRO HD3 2.100 . 2.700 2.088 1.625 2.579 . 0 0 "[ . 1 . 2]" 1
416 1 41 ASP HA 1 43 LYS HA 2.500 . 3.300 2.580 2.279 2.879 . 0 0 "[ . 1 . 2]" 1
417 1 41 ASP HA 1 43 LYS QG 4.900 . 6.000 4.928 3.677 6.021 0.021 4 0 "[ . 1 . 2]" 1
418 1 42 PRO HA 1 42 PRO QB 2.300 . 3.000 2.188 2.174 2.231 . 0 0 "[ . 1 . 2]" 1
419 1 42 PRO HA 1 42 PRO HD2 4.400 . 6.000 3.994 3.882 4.104 . 0 0 "[ . 1 . 2]" 1
420 1 42 PRO HA 1 42 PRO HD3 4.400 . 6.000 3.771 3.171 3.998 . 0 0 "[ . 1 . 2]" 1
421 1 42 PRO HA 1 43 LYS H 3.800 . 5.600 3.262 2.221 3.589 . 0 0 "[ . 1 . 2]" 1
422 1 42 PRO HA 1 43 LYS HB2 2.900 . 4.000 2.996 2.951 3.016 . 0 0 "[ . 1 . 2]" 1
423 1 42 PRO HA 1 43 LYS QG 4.100 . 6.000 4.427 3.906 5.020 . 0 0 "[ . 1 . 2]" 1
424 1 42 PRO QB 1 42 PRO QG 2.100 . 2.600 1.964 1.947 1.977 . 0 0 "[ . 1 . 2]" 1
425 1 42 PRO QB 1 43 LYS H 4.700 . 6.000 3.498 2.796 3.990 . 0 0 "[ . 1 . 2]" 1
426 1 42 PRO HD2 1 43 LYS H 3.300 . 4.700 2.943 2.222 5.347 0.647 14 1 "[ . 1 +. 2]" 1
427 1 42 PRO HD3 1 42 PRO QG 2.500 . 3.300 2.201 2.170 2.245 . 0 0 "[ . 1 . 2]" 1
428 1 42 PRO HD3 1 43 LYS H 4.800 . 6.000 3.970 3.457 4.910 . 0 0 "[ . 1 . 2]" 1
429 1 42 PRO HD3 1 43 LYS HG3 3.200 . 4.500 3.376 2.018 5.062 0.562 8 1 "[ . + 1 . 2]" 1
430 1 42 PRO QG 1 43 LYS H 4.800 . 6.000 3.547 1.921 4.861 . 0 0 "[ . 1 . 2]" 1
431 1 43 LYS H 1 43 LYS HA 2.500 . 3.300 2.785 2.245 2.949 . 0 0 "[ . 1 . 2]" 1
432 1 43 LYS H 1 43 LYS HB2 3.200 . 4.500 2.841 2.230 3.949 . 0 0 "[ . 1 . 2]" 1
433 1 43 LYS H 1 43 LYS HB3 3.100 . 4.300 3.610 2.807 4.092 . 0 0 "[ . 1 . 2]" 1
434 1 43 LYS H 1 43 LYS QD 4.300 . 6.000 4.125 2.408 4.877 . 0 0 "[ . 1 . 2]" 1
435 1 43 LYS H 1 43 LYS HG2 3.500 . 5.100 3.424 1.888 4.087 0.012 17 0 "[ . 1 . 2]" 1
436 1 43 LYS H 1 43 LYS QG 2.900 . 4.000 2.657 1.874 3.694 . 0 0 "[ . 1 . 2]" 1
437 1 43 LYS H 1 43 LYS HG3 3.800 . 5.600 3.079 2.417 4.212 . 0 0 "[ . 1 . 2]" 1
438 1 43 LYS H 1 44 GLN H 3.200 . 4.500 3.444 2.161 4.552 0.052 15 0 "[ . 1 . 2]" 1
439 1 43 LYS H 1 45 VAL H 6.000 . 6.000 4.946 2.955 5.912 . 0 0 "[ . 1 . 2]" 1
440 1 43 LYS HA 1 43 LYS HB2 2.900 . 4.000 2.936 2.395 3.028 . 0 0 "[ . 1 . 2]" 1
441 1 43 LYS HA 1 43 LYS HB3 2.500 . 3.300 2.486 2.309 2.661 . 0 0 "[ . 1 . 2]" 1
442 1 43 LYS HA 1 43 LYS QD 4.700 . 6.000 3.772 1.934 4.466 0.066 16 0 "[ . 1 . 2]" 1
443 1 43 LYS HA 1 44 GLN H 2.200 . 2.800 2.556 2.132 3.475 0.675 6 1 "[ .+ 1 . 2]" 1
444 1 43 LYS HB2 1 44 GLN H 4.300 . 6.000 3.990 2.313 4.564 . 0 0 "[ . 1 . 2]" 1
445 1 43 LYS HB3 1 43 LYS HG3 2.200 . 2.800 2.901 2.390 3.015 0.215 20 0 "[ . 1 . 2]" 1
446 1 43 LYS HB3 1 44 GLN H 3.900 . 5.800 3.956 1.991 4.570 0.009 2 0 "[ . 1 . 2]" 1
447 1 43 LYS QD 1 44 GLN H 4.000 . 6.000 5.427 3.813 6.064 0.064 18 0 "[ . 1 . 2]" 1
448 1 44 GLN H 1 44 GLN HA 2.600 . 3.500 2.885 2.267 2.946 . 0 0 "[ . 1 . 2]" 1
449 1 44 GLN H 1 44 GLN HB2 3.100 . 4.300 2.761 2.378 3.698 . 0 0 "[ . 1 . 2]" 1
450 1 44 GLN H 1 44 GLN HB3 3.700 . 5.500 3.200 2.508 3.803 . 0 0 "[ . 1 . 2]" 1
451 1 44 GLN H 1 44 GLN HG2 4.300 . 6.000 4.058 2.013 5.185 . 0 0 "[ . 1 . 2]" 1
452 1 44 GLN H 1 44 GLN QG 3.900 . 5.800 3.384 1.978 4.304 0.022 17 0 "[ . 1 . 2]" 1
453 1 44 GLN H 1 44 GLN HG3 4.000 . 6.000 3.859 2.327 4.893 . 0 0 "[ . 1 . 2]" 1
454 1 44 GLN H 1 45 VAL H 2.200 . 2.800 2.335 1.996 2.864 0.064 3 0 "[ . 1 . 2]" 1
455 1 44 GLN H 1 45 VAL QG 6.000 . 6.000 3.457 3.010 4.140 . 0 0 "[ . 1 . 2]" 1
456 1 44 GLN HA 1 44 GLN HB3 2.600 . 3.500 2.759 2.374 3.033 . 0 0 "[ . 1 . 2]" 1
457 1 44 GLN HA 1 44 GLN HE21 6.000 . 6.000 4.190 2.301 5.790 . 0 0 "[ . 1 . 2]" 1
458 1 44 GLN HA 1 44 GLN HG2 3.600 . 5.200 3.142 2.434 3.769 . 0 0 "[ . 1 . 2]" 1
459 1 44 GLN HA 1 44 GLN HG3 3.700 . 5.400 3.079 2.453 3.839 . 0 0 "[ . 1 . 2]" 1
460 1 44 GLN HA 1 45 VAL H 3.500 . 5.000 3.334 2.757 3.554 . 0 0 "[ . 1 . 2]" 1
461 1 44 GLN HB2 1 44 GLN HG2 2.500 . 3.300 2.750 2.401 3.013 . 0 0 "[ . 1 . 2]" 1
462 1 44 GLN HE21 1 44 GLN HG2 3.800 . 5.600 2.814 2.197 3.520 . 0 0 "[ . 1 . 2]" 1
463 1 44 GLN HE21 1 44 GLN QG 3.100 . 4.300 2.251 2.140 2.770 . 0 0 "[ . 1 . 2]" 1
464 1 44 GLN HE21 1 44 GLN HG3 3.900 . 5.800 2.721 2.226 3.496 . 0 0 "[ . 1 . 2]" 1
465 1 45 VAL H 1 45 VAL HB 4.000 . 6.000 3.053 2.418 3.663 . 0 0 "[ . 1 . 2]" 1
466 1 45 VAL H 1 45 VAL QG 3.600 . 5.200 2.070 1.821 2.474 0.179 3 0 "[ . 1 . 2]" 1
467 1 45 VAL H 1 45 VAL MG2 4.700 . 6.000 2.545 1.912 3.766 . 0 0 "[ . 1 . 2]" 1
468 1 45 VAL HA 1 45 VAL HB 2.200 . 2.800 2.560 2.223 2.870 0.070 2 0 "[ . 1 . 2]" 1
469 1 45 VAL HA 1 46 ILE H 2.700 . 3.600 2.722 2.144 3.570 . 0 0 "[ . 1 . 2]" 1
470 1 45 VAL HB 1 45 VAL QG 2.200 . 2.800 1.890 1.881 1.895 . 0 0 "[ . 1 . 2]" 1
471 1 45 VAL HB 1 46 ILE H 4.300 . 6.000 3.677 1.974 4.425 0.026 16 0 "[ . 1 . 2]" 1
472 1 45 VAL QG 1 46 ILE H 4.200 . 6.000 2.878 1.932 3.633 0.068 13 0 "[ . 1 . 2]" 1
473 1 45 VAL MG2 1 46 ILE H 4.700 . 6.000 3.659 1.936 4.242 0.064 13 0 "[ . 1 . 2]" 1
474 1 46 ILE H 1 46 ILE HA 2.700 . 3.600 2.671 2.241 2.948 . 0 0 "[ . 1 . 2]" 1
475 1 46 ILE H 1 46 ILE HB 2.800 . 3.800 3.404 2.440 3.830 0.030 8 0 "[ . 1 . 2]" 1
476 1 46 ILE H 1 46 ILE MD 4.800 . 6.000 3.962 1.822 4.824 0.078 15 0 "[ . 1 . 2]" 1
477 1 46 ILE H 1 46 ILE QG 3.600 . 5.200 3.030 1.939 4.263 0.061 7 0 "[ . 1 . 2]" 1
478 1 46 ILE H 1 46 ILE MG 3.200 . 4.500 2.734 1.860 3.965 0.040 3 0 "[ . 1 . 2]" 1
479 1 46 ILE H 1 47 GLY H 4.500 . 6.000 4.046 2.989 4.606 . 0 0 "[ . 1 . 2]" 1
480 1 46 ILE HA 1 46 ILE HB 2.300 . 3.000 2.337 2.167 2.874 . 0 0 "[ . 1 . 2]" 1
481 1 46 ILE HA 1 46 ILE HB 2.400 . 3.100 2.329 2.162 2.860 . 0 0 "[ . 1 . 2]" 1
482 1 46 ILE HA 1 46 ILE MD 3.300 . 4.700 3.731 2.019 4.045 . 0 0 "[ . 1 . 2]" 1
483 1 46 ILE HA 1 46 ILE QG 3.400 . 4.900 2.835 2.131 3.340 . 0 0 "[ . 1 . 2]" 1
484 1 46 ILE HA 1 46 ILE MG 3.400 . 4.900 2.510 2.059 3.140 . 0 0 "[ . 1 . 2]" 1
485 1 46 ILE HA 1 47 GLY H 1.800 . 2.200 2.312 2.255 2.415 0.215 18 0 "[ . 1 . 2]" 1
486 1 46 ILE HA 1 48 LYS H 3.000 . 4.100 3.314 2.967 3.935 . 0 0 "[ . 1 . 2]" 1
487 1 46 ILE HB 1 46 ILE MD 2.200 . 6.000 2.539 2.383 3.217 . 0 0 "[ . 1 . 2]" 1
488 1 46 ILE HB 1 46 ILE MD 2.500 . 3.300 2.440 2.077 3.118 . 0 0 "[ . 1 . 2]" 1
489 1 46 ILE HB 1 46 ILE QG 2.500 . 3.300 2.319 2.139 2.376 . 0 0 "[ . 1 . 2]" 1
490 1 46 ILE HB 1 46 ILE QG 2.400 . 3.100 2.107 1.983 2.155 . 0 0 "[ . 1 . 2]" 1
491 1 46 ILE HB 1 47 GLY H 4.200 . 6.000 3.270 1.995 4.334 0.005 18 0 "[ . 1 . 2]" 1
492 1 46 ILE HB 1 47 GLY HA2 3.600 . 5.200 4.514 3.835 5.237 0.037 5 0 "[ . 1 . 2]" 1
493 1 46 ILE MD 1 46 ILE QG 2.100 . 2.600 1.887 1.883 1.890 . 0 0 "[ . 1 . 2]" 1
494 1 46 ILE MD 1 46 ILE MG 2.300 . 6.000 1.966 1.849 3.261 . 0 0 "[ . 1 . 2]" 1
495 1 46 ILE MD 1 47 GLY H 2.500 . 6.000 4.255 1.824 5.452 . 0 0 "[ . 1 . 2]" 1
496 1 46 ILE QG 1 46 ILE MG 2.200 . 2.800 2.368 2.112 2.575 . 0 0 "[ . 1 . 2]" 1
497 1 47 GLY H 1 47 GLY HA2 2.500 . 3.300 2.549 2.296 2.945 . 0 0 "[ . 1 . 2]" 1
498 1 47 GLY H 1 47 GLY HA3 2.700 . 3.600 2.669 2.297 2.939 . 0 0 "[ . 1 . 2]" 1
499 1 47 GLY H 1 48 LYS H 2.100 . 2.700 2.419 2.015 2.702 0.002 1 0 "[ . 1 . 2]" 1
500 1 47 GLY H 1 48 LYS HB3 6.000 . 6.000 4.492 3.882 4.824 . 0 0 "[ . 1 . 2]" 1
501 1 47 GLY HA2 1 48 LYS H 3.200 . 4.500 3.180 2.755 3.524 . 0 0 "[ . 1 . 2]" 1
502 1 47 GLY HA2 1 48 LYS HB2 3.700 . 5.400 5.541 5.296 5.847 0.447 3 0 "[ . 1 . 2]" 1
503 1 47 GLY HA3 1 48 LYS H 3.200 . 4.500 3.262 2.864 3.524 . 0 0 "[ . 1 . 2]" 1
504 1 48 LYS H 1 48 LYS HA 2.300 . 3.000 2.907 2.837 2.943 . 0 0 "[ . 1 . 2]" 1
505 1 48 LYS H 1 48 LYS HB2 2.400 . 3.100 2.891 2.578 3.121 0.021 15 0 "[ . 1 . 2]" 1
506 1 48 LYS H 1 48 LYS HB3 1.900 . 2.300 2.388 2.288 2.480 0.180 19 0 "[ . 1 . 2]" 1
507 1 48 LYS H 1 48 LYS QD 5.600 . 6.000 4.481 4.226 4.922 . 0 0 "[ . 1 . 2]" 1
508 1 48 LYS H 1 48 LYS HG2 3.800 . 5.600 4.636 4.338 4.730 . 0 0 "[ . 1 . 2]" 1
509 1 48 LYS H 1 48 LYS HG3 3.600 . 5.300 4.314 4.216 4.589 . 0 0 "[ . 1 . 2]" 1
510 1 48 LYS H 1 49 ASN H 4.900 . 6.000 4.186 3.947 4.433 . 0 0 "[ . 1 . 2]" 1
511 1 48 LYS H 1 49 ASN HB3 6.000 . 6.000 5.959 4.872 6.988 0.988 6 5 "[* *-.+ 1 * . 2]" 1
512 1 48 LYS HA 1 48 LYS HB2 2.000 . 2.500 2.407 2.372 2.467 . 0 0 "[ . 1 . 2]" 1
513 1 48 LYS HA 1 49 ASN H 1.800 . 2.200 2.184 2.112 2.263 0.063 18 0 "[ . 1 . 2]" 1
514 1 48 LYS HB2 1 49 ASN H 3.500 . 5.000 4.384 4.170 4.551 . 0 0 "[ . 1 . 2]" 1
515 1 48 LYS HB3 1 48 LYS HG2 2.200 . 2.800 2.424 2.312 2.507 . 0 0 "[ . 1 . 2]" 1
516 1 48 LYS HB3 1 48 LYS HG3 1.900 . 2.400 2.474 2.367 2.989 0.589 8 1 "[ . + 1 . 2]" 1
517 1 48 LYS HB3 1 49 ASN H 3.500 . 5.100 4.425 4.131 4.536 . 0 0 "[ . 1 . 2]" 1
518 1 48 LYS HB3 1 50 PHE H 3.100 . 6.000 5.677 5.128 6.036 0.036 12 0 "[ . 1 . 2]" 1
519 1 48 LYS QD 1 50 PHE H 3.300 . 4.700 4.073 3.383 4.652 . 0 0 "[ . 1 . 2]" 1
520 1 48 LYS QD 1 50 PHE HA 2.500 . 6.000 4.808 3.089 5.861 . 0 0 "[ . 1 . 2]" 1
521 1 48 LYS QD 1 50 PHE QD 2.600 . 6.000 3.851 1.644 5.724 . 0 0 "[ . 1 . 2]" 1
522 1 48 LYS HG2 1 49 ASN H 5.200 . 6.000 4.984 2.988 5.463 . 0 0 "[ . 1 . 2]" 1
523 1 48 LYS HG3 1 49 ASN H 4.300 . 6.000 3.780 2.990 4.229 . 0 0 "[ . 1 . 2]" 1
524 1 49 ASN H 1 49 ASN HB2 3.100 . 4.300 3.161 2.347 3.865 . 0 0 "[ . 1 . 2]" 1
525 1 49 ASN H 1 49 ASN HB3 2.600 . 3.400 3.102 2.494 3.792 0.392 13 0 "[ . 1 . 2]" 1
526 1 49 ASN H 1 49 ASN HD22 6.000 . 6.000 5.160 3.308 6.125 0.125 12 0 "[ . 1 . 2]" 1
527 1 49 ASN H 1 50 PHE H 5.700 . 6.000 3.958 3.639 4.321 . 0 0 "[ . 1 . 2]" 1
528 1 49 ASN HA 1 50 PHE H 1.900 . 2.300 2.151 2.085 2.203 . 0 0 "[ . 1 . 2]" 1
529 1 49 ASN HB2 1 49 ASN HD21 3.800 . 5.600 2.914 2.161 3.533 . 0 0 "[ . 1 . 2]" 1
530 1 49 ASN HB3 1 49 ASN HD21 3.100 . 4.300 2.888 2.189 3.542 . 0 0 "[ . 1 . 2]" 1
531 1 49 ASN HB3 1 50 PHE H 4.600 . 6.000 4.232 3.663 4.487 . 0 0 "[ . 1 . 2]" 1
532 1 50 PHE H 1 50 PHE HA 2.700 . 3.600 2.820 2.257 2.948 . 0 0 "[ . 1 . 2]" 1
533 1 50 PHE H 1 50 PHE HB2 3.500 . 5.000 3.006 2.215 4.121 . 0 0 "[ . 1 . 2]" 1
534 1 50 PHE H 1 50 PHE QB 3.400 . 4.900 2.677 2.192 3.424 . 0 0 "[ . 1 . 2]" 1
535 1 50 PHE H 1 50 PHE HB3 3.600 . 5.200 3.211 2.581 3.883 . 0 0 "[ . 1 . 2]" 1
536 1 50 PHE H 1 50 PHE HZ 5.500 . 6.000 3.927 1.645 4.404 0.055 11 0 "[ . 1 . 2]" 1
537 1 50 PHE HA 1 50 PHE HB3 2.400 . 3.100 2.860 2.454 3.032 . 0 0 "[ . 1 . 2]" 1
538 1 50 PHE HA 1 50 PHE HB3 2.600 . 3.500 2.310 2.088 2.626 . 0 0 "[ . 1 . 2]" 1
539 1 50 PHE HA 1 50 PHE QD 3.000 . 4.200 2.751 2.112 3.754 . 0 0 "[ . 1 . 2]" 1
540 1 50 PHE HB2 1 50 PHE QD 2.800 . 3.700 2.444 2.270 2.657 . 0 0 "[ . 1 . 2]" 1
541 1 50 PHE HB3 1 50 PHE QD 2.900 . 4.000 2.369 2.253 2.698 . 0 0 "[ . 1 . 2]" 1
542 1 50 PHE QD 1 53 ASP QB 3.700 . 5.400 4.067 2.528 5.473 0.073 7 0 "[ . 1 . 2]" 1
543 1 50 PHE QD 1 53 ASP HB3 4.200 . 6.000 4.819 2.787 6.804 0.804 7 2 "[ . + 1 - . 2]" 1
544 1 51 PHE H 1 51 PHE HA 2.900 . 4.000 2.876 2.232 2.958 . 0 0 "[ . 1 . 2]" 1
545 1 51 PHE H 1 51 PHE QB 4.600 . 6.000 2.488 2.286 3.317 . 0 0 "[ . 1 . 2]" 1
546 1 51 PHE H 1 52 LYS H 3.700 . 5.400 2.813 2.138 4.604 . 0 0 "[ . 1 . 2]" 1
547 1 51 PHE H 1 52 LYS H 3.700 . 5.400 2.776 2.136 4.328 . 0 0 "[ . 1 . 2]" 1
548 1 51 PHE QB 1 52 LYS H 4.600 . 6.000 2.788 1.955 3.832 0.045 11 0 "[ . 1 . 2]" 1
549 1 52 LYS H 1 52 LYS HA 2.700 . 3.600 2.850 2.265 2.947 . 0 0 "[ . 1 . 2]" 1
550 1 52 LYS H 1 52 LYS QB 3.500 . 5.100 2.880 2.414 3.474 . 0 0 "[ . 1 . 2]" 1
551 1 52 LYS H 1 52 LYS QB 3.600 . 5.300 2.788 2.380 3.319 . 0 0 "[ . 1 . 2]" 1
552 1 52 LYS H 1 52 LYS QD 5.000 . 6.000 4.326 2.091 5.243 . 0 0 "[ . 1 . 2]" 1
553 1 52 LYS H 1 52 LYS HG2 4.000 . 6.000 3.527 1.937 5.255 0.063 8 0 "[ . 1 . 2]" 1
554 1 52 LYS H 1 52 LYS HG3 3.200 . 4.500 2.409 2.280 2.752 . 0 0 "[ . 1 . 2]" 1
555 1 52 LYS HA 1 52 LYS QB 2.500 . 3.300 2.318 2.167 2.504 . 0 0 "[ . 1 . 2]" 1
556 1 52 LYS HA 1 52 LYS QD 3.800 . 5.600 3.743 1.941 4.594 0.059 10 0 "[ . 1 . 2]" 1
557 1 52 LYS HA 1 52 LYS HG2 4.300 . 6.000 3.265 2.301 3.797 . 0 0 "[ . 1 . 2]" 1
558 1 52 LYS HA 1 53 ASP H 3.400 . 4.900 2.470 2.118 3.521 . 0 0 "[ . 1 . 2]" 1
559 1 52 LYS QB 1 52 LYS QD 2.500 . 3.300 2.313 2.112 2.822 . 0 0 "[ . 1 . 2]" 1
560 1 53 ASP H 1 53 ASP HB2 4.600 . 6.000 3.130 2.334 3.966 . 0 0 "[ . 1 . 2]" 1
561 1 53 ASP H 1 53 ASP QB 4.500 . 6.000 2.603 2.207 3.357 . 0 0 "[ . 1 . 2]" 1
562 1 53 ASP H 1 53 ASP HB3 4.600 . 6.000 2.965 2.377 4.070 . 0 0 "[ . 1 . 2]" 1
563 1 53 ASP H 1 54 VAL H 3.800 . 5.600 3.701 2.197 4.618 . 0 0 "[ . 1 . 2]" 1
564 1 53 ASP HA 1 53 ASP QB 2.600 . 3.500 2.304 2.177 2.447 . 0 0 "[ . 1 . 2]" 1
565 1 53 ASP HA 1 54 VAL H 4.400 . 6.000 2.729 2.129 3.580 . 0 0 "[ . 1 . 2]" 1
566 1 53 ASP QB 1 54 VAL H 4.400 . 6.000 3.083 1.984 4.024 0.016 15 0 "[ . 1 . 2]" 1
567 1 53 ASP QB 1 55 ALA H 6.000 . 6.000 4.111 2.764 6.022 0.022 2 0 "[ . 1 . 2]" 1
568 1 53 ASP HB2 1 54 VAL H 5.100 . 6.000 3.648 2.256 4.599 . 0 0 "[ . 1 . 2]" 1
569 1 53 ASP HB3 1 54 VAL H 4.700 . 6.000 3.663 1.995 4.535 . 0 0 "[ . 1 . 2]" 1
570 1 54 VAL H 1 54 VAL HB 3.600 . 5.200 3.222 2.324 3.822 . 0 0 "[ . 1 . 2]" 1
571 1 54 VAL H 1 54 VAL QG 3.500 . 5.000 2.195 1.848 2.920 0.152 14 0 "[ . 1 . 2]" 1
572 1 54 VAL H 1 54 VAL MG2 3.500 . 5.000 2.976 1.890 3.925 0.110 14 0 "[ . 1 . 2]" 1
573 1 54 VAL H 1 55 ALA H 2.800 . 3.800 2.689 1.763 3.814 0.037 3 0 "[ . 1 . 2]" 1
574 1 54 VAL HA 1 55 ALA H 3.500 . 5.000 2.885 2.280 3.601 . 0 0 "[ . 1 . 2]" 1
575 1 54 VAL HB 1 55 ALA H 4.100 . 6.000 4.105 3.470 4.407 . 0 0 "[ . 1 . 2]" 1
576 1 54 VAL QG 1 55 ALA H 4.900 . 6.000 2.986 1.708 3.616 0.092 20 0 "[ . 1 . 2]" 1
577 1 54 VAL MG2 1 55 ALA H 5.400 . 6.000 3.737 1.814 4.231 . 0 0 "[ . 1 . 2]" 1
578 1 62 GLU H 1 62 GLU QB 4.400 . 6.000 2.703 2.237 3.371 . 0 0 "[ . 1 . 2]" 1
579 1 62 GLU H 1 63 PHE H 3.800 . 5.600 3.621 2.190 4.544 . 0 0 "[ . 1 . 2]" 1
580 1 62 GLU HA 1 62 GLU QG 3.900 . 5.800 2.784 2.336 3.359 . 0 0 "[ . 1 . 2]" 1
581 1 62 GLU HA 1 62 GLU QG 3.500 . 5.100 2.782 2.336 3.352 . 0 0 "[ . 1 . 2]" 1
582 1 62 GLU HA 1 63 PHE H 2.800 . 3.800 2.744 2.134 3.579 . 0 0 "[ . 1 . 2]" 1
583 1 62 GLU QB 1 63 PHE H 4.500 . 6.000 3.009 1.976 3.906 0.024 13 0 "[ . 1 . 2]" 1
584 1 63 PHE H 1 63 PHE QB 3.500 . 5.000 2.773 2.280 3.409 . 0 0 "[ . 1 . 2]" 1
585 1 63 PHE H 1 64 TYR H 3.900 . 5.800 3.445 2.168 4.602 . 0 0 "[ . 1 . 2]" 1
586 1 63 PHE HA 1 64 TYR H 2.800 . 3.800 2.622 2.109 3.539 . 0 0 "[ . 1 . 2]" 1
587 1 63 PHE HA 1 64 TYR HB2 3.700 . 5.400 4.984 4.350 6.287 0.887 12 2 "[ . 1 + -. 2]" 1
588 1 63 PHE HA 1 64 TYR HB2 1.300 . 2.200 1.760 1.757 1.762 . 0 0 "[ . 1 . 2]" 1
589 1 63 PHE HA 1 65 GLY H 4.800 . 6.000 5.431 4.097 6.107 0.107 19 0 "[ . 1 . 2]" 1
590 1 64 TYR H 1 64 TYR HB2 3.800 . 5.600 3.026 2.090 4.031 . 0 0 "[ . 1 . 2]" 1
591 1 64 TYR H 1 64 TYR HB3 3.200 . 4.500 3.581 2.603 4.082 . 0 0 "[ . 1 . 2]" 1
592 1 64 TYR HA 1 64 TYR QD 3.300 . 4.700 2.901 2.103 3.768 . 0 0 "[ . 1 . 2]" 1
593 1 64 TYR HB2 1 64 TYR QD 3.000 . 4.200 2.376 2.290 2.715 . 0 0 "[ . 1 . 2]" 1
594 1 64 TYR HB3 1 64 TYR QD 3.000 . 4.100 2.465 2.326 2.572 . 0 0 "[ . 1 . 2]" 1
595 1 64 TYR QD 1 67 PHE QD 2.400 . 6.000 3.887 2.642 5.757 . 0 0 "[ . 1 . 2]" 1
596 1 65 GLY H 1 76 LEU HG 4.700 . 6.000 6.164 6.036 6.335 0.335 8 0 "[ . 1 . 2]" 1
597 1 67 PHE H 1 67 PHE HB2 3.500 . 5.000 2.396 2.191 2.689 . 0 0 "[ . 1 . 2]" 1
598 1 67 PHE H 1 67 PHE QB 3.200 . 4.500 2.229 2.133 2.363 . 0 0 "[ . 1 . 2]" 1
599 1 67 PHE H 1 67 PHE HB3 3.200 . 4.400 2.688 2.415 2.932 . 0 0 "[ . 1 . 2]" 1
600 1 67 PHE H 1 68 LYS H 2.500 . 3.300 2.825 2.319 3.090 . 0 0 "[ . 1 . 2]" 1
601 1 67 PHE HA 1 68 LYS QG 1.600 . 2.200 1.450 1.309 1.742 . 0 0 "[ . 1 . 2]" 1
602 1 67 PHE HA 1 67 PHE HB3 3.000 . 4.100 2.999 2.975 3.016 . 0 0 "[ . 1 . 2]" 1
603 1 67 PHE HA 1 67 PHE QD 2.700 . 3.600 2.734 2.512 2.929 . 0 0 "[ . 1 . 2]" 1
604 1 67 PHE HA 1 68 LYS H 3.300 . 4.600 3.530 3.462 3.590 . 0 0 "[ . 1 . 2]" 1
605 1 67 PHE HA 1 70 GLY HA2 1.600 . 2.200 1.733 1.727 1.743 . 0 0 "[ . 1 . 2]" 1
606 1 67 PHE HA 1 76 LEU HG 2.800 . 3.800 3.497 3.026 3.857 0.057 7 0 "[ . 1 . 2]" 1
607 1 67 PHE HA 1 99 LYS QD 4.300 . 6.000 5.155 4.667 5.454 . 0 0 "[ . 1 . 2]" 1
608 1 67 PHE HA 1 97 MET QB 4.800 . 6.000 5.533 5.117 5.972 . 0 0 "[ . 1 . 2]" 1
609 1 67 PHE QB 1 68 LYS H 2.500 . 3.300 2.739 2.398 2.932 . 0 0 "[ . 1 . 2]" 1
610 1 67 PHE HB2 1 67 PHE QD 2.400 . 3.100 2.451 2.397 2.541 . 0 0 "[ . 1 . 2]" 1
611 1 67 PHE HB2 1 68 LYS H 4.200 . 6.000 3.937 3.771 4.043 . 0 0 "[ . 1 . 2]" 1
612 1 67 PHE HB3 1 67 PHE QD 2.200 . 2.800 2.338 2.292 2.369 . 0 0 "[ . 1 . 2]" 1
613 1 67 PHE HB3 1 68 LYS H 2.800 . 3.800 2.796 2.423 3.009 . 0 0 "[ . 1 . 2]" 1
614 1 67 PHE QD 1 67 PHE QE 1.900 . 2.400 2.162 2.025 2.183 . 0 0 "[ . 1 . 2]" 1
615 1 67 PHE QD 1 68 LYS H 3.900 . 5.800 3.905 3.192 4.264 . 0 0 "[ . 1 . 2]" 1
616 1 67 PHE QD 1 68 LYS HA 3.800 . 5.600 3.497 3.262 3.828 . 0 0 "[ . 1 . 2]" 1
617 1 67 PHE QD 1 69 GLU H 6.000 . 6.000 5.578 5.254 5.798 . 0 0 "[ . 1 . 2]" 1
618 1 67 PHE QD 1 71 VAL H 6.000 . 6.000 4.918 4.597 5.405 . 0 0 "[ . 1 . 2]" 1
619 1 67 PHE QD 1 71 VAL MG1 5.600 . 6.000 5.364 4.895 5.800 . 0 0 "[ . 1 . 2]" 1
620 1 67 PHE QE 1 71 VAL MG1 5.500 . 6.000 4.713 4.086 5.335 . 0 0 "[ . 1 . 2]" 1
621 1 67 PHE QE 1 100 ALA MB 3.700 . 5.400 3.484 3.146 4.603 . 0 0 "[ . 1 . 2]" 1
622 1 67 PHE QE 1 106 TYR QD 3.600 . 5.300 3.123 2.031 3.918 . 0 0 "[ . 1 . 2]" 1
623 1 67 PHE HZ 1 71 VAL MG1 4.600 . 6.000 5.340 4.587 6.028 0.028 14 0 "[ . 1 . 2]" 1
624 1 67 PHE HZ 1 106 TYR HB3 3.400 . 6.000 6.014 5.614 6.107 0.107 7 0 "[ . 1 . 2]" 1
625 1 68 LYS H 1 68 LYS HA 2.500 . 3.300 2.850 2.804 2.905 . 0 0 "[ . 1 . 2]" 1
626 1 68 LYS H 1 68 LYS QB 2.000 . 2.500 2.310 2.125 2.523 0.023 6 0 "[ . 1 . 2]" 1
627 1 68 LYS H 1 68 LYS QG 3.800 . 5.600 3.488 2.112 4.078 . 0 0 "[ . 1 . 2]" 1
628 1 68 LYS H 1 69 GLU H 2.100 . 2.600 2.495 2.247 2.650 0.050 4 0 "[ . 1 . 2]" 1
629 1 68 LYS H 1 69 GLU QB 6.000 . 6.000 4.319 3.984 4.572 . 0 0 "[ . 1 . 2]" 1
630 1 68 LYS HA 1 68 LYS QB 2.100 . 2.700 2.353 2.264 2.493 . 0 0 "[ . 1 . 2]" 1
631 1 68 LYS HA 1 68 LYS QG 2.900 . 3.900 2.543 2.337 3.042 . 0 0 "[ . 1 . 2]" 1
632 1 68 LYS HA 1 69 GLU H 3.500 . 5.000 3.487 3.425 3.538 . 0 0 "[ . 1 . 2]" 1
633 1 68 LYS HA 1 70 GLY H 4.600 . 6.000 4.289 4.026 4.598 . 0 0 "[ . 1 . 2]" 1
634 1 68 LYS HA 1 71 VAL H 3.000 . 4.100 3.781 3.241 4.135 0.035 3 0 "[ . 1 . 2]" 1
635 1 68 LYS HA 1 71 VAL MG2 3.000 . 6.000 3.257 2.595 3.759 . 0 0 "[ . 1 . 2]" 1
636 1 68 LYS HA 1 72 ALA H 3.400 . 6.000 4.687 4.208 5.263 . 0 0 "[ . 1 . 2]" 1
637 1 68 LYS QB 1 68 LYS QG 2.000 . 2.500 2.052 1.991 2.089 . 0 0 "[ . 1 . 2]" 1
638 1 68 LYS QB 1 69 GLU H 2.300 . 3.000 2.692 2.466 2.953 . 0 0 "[ . 1 . 2]" 1
639 1 68 LYS QG 1 69 GLU H 4.300 . 6.000 4.006 3.485 4.593 . 0 0 "[ . 1 . 2]" 1
640 1 69 GLU H 1 69 GLU HA 2.300 . 3.000 2.891 2.862 2.917 . 0 0 "[ . 1 . 2]" 1
641 1 69 GLU H 1 69 GLU QB 2.100 . 2.600 2.279 2.225 2.418 . 0 0 "[ . 1 . 2]" 1
642 1 69 GLU H 1 69 GLU HG2 4.000 . 6.000 4.443 3.769 4.665 . 0 0 "[ . 1 . 2]" 1
643 1 69 GLU H 1 69 GLU HG3 4.100 . 6.000 4.342 2.819 4.584 . 0 0 "[ . 1 . 2]" 1
644 1 69 GLU H 1 70 GLY H 1.600 . 2.200 2.261 2.186 2.355 0.155 15 0 "[ . 1 . 2]" 1
645 1 69 GLU HA 1 69 GLU QB 2.300 . 3.000 2.388 2.319 2.490 . 0 0 "[ . 1 . 2]" 1
646 1 69 GLU HA 1 69 GLU QB 1.900 . 2.400 2.028 1.999 2.062 . 0 0 "[ . 1 . 2]" 1
647 1 69 GLU HA 1 69 GLU HG2 3.200 . 4.500 3.349 2.455 3.806 . 0 0 "[ . 1 . 2]" 1
648 1 69 GLU HA 1 69 GLU HG2 3.000 . 4.100 2.965 2.339 3.265 . 0 0 "[ . 1 . 2]" 1
649 1 69 GLU HA 1 69 GLU HG3 3.200 . 4.500 2.738 2.403 3.227 . 0 0 "[ . 1 . 2]" 1
650 1 69 GLU HA 1 70 GLY H 3.200 . 4.500 3.466 3.429 3.501 . 0 0 "[ . 1 . 2]" 1
651 1 69 GLU HA 1 72 ALA H 2.600 . 3.400 3.318 3.147 3.517 0.117 9 0 "[ . 1 . 2]" 1
652 1 69 GLU HA 1 72 ALA MB 3.500 . 5.000 2.947 2.638 3.393 . 0 0 "[ . 1 . 2]" 1
653 1 69 GLU HA 1 73 SER H 2.700 . 3.600 3.603 3.395 3.711 0.111 3 0 "[ . 1 . 2]" 1
654 1 69 GLU QB 1 70 GLY H 2.700 . 3.600 2.744 2.573 2.953 . 0 0 "[ . 1 . 2]" 1
655 1 69 GLU HG2 1 70 GLY H 5.800 . 6.000 4.490 3.703 5.346 . 0 0 "[ . 1 . 2]" 1
656 1 69 GLU HG2 1 72 ALA HA 3.400 . 4.900 3.527 2.018 5.306 0.406 15 0 "[ . 1 . 2]" 1
657 1 69 GLU HG3 1 70 GLY H 5.300 . 6.000 4.608 3.800 5.033 . 0 0 "[ . 1 . 2]" 1
658 1 70 GLY H 1 70 GLY HA2 2.000 . 2.500 2.750 2.716 2.772 0.272 10 0 "[ . 1 . 2]" 1
659 1 70 GLY H 1 71 VAL H 2.000 . 2.500 2.656 2.595 2.721 0.221 9 0 "[ . 1 . 2]" 1
660 1 70 GLY H 1 76 LEU HA 5.800 . 6.000 5.145 4.601 5.415 . 0 0 "[ . 1 . 2]" 1
661 1 70 GLY H 1 76 LEU HG 2.900 . 4.000 3.426 3.023 3.673 . 0 0 "[ . 1 . 2]" 1
662 1 70 GLY HA2 1 71 VAL H 2.900 . 3.900 3.485 3.469 3.500 . 0 0 "[ . 1 . 2]" 1
663 1 70 GLY HA2 1 71 VAL MG2 4.600 . 6.000 4.644 4.568 4.718 . 0 0 "[ . 1 . 2]" 1
664 1 70 GLY HA2 1 73 SER H 4.600 . 6.000 3.918 3.709 4.272 . 0 0 "[ . 1 . 2]" 1
665 1 70 GLY HA2 1 75 ASN H 5.600 . 6.000 3.948 3.189 4.741 . 0 0 "[ . 1 . 2]" 1
666 1 70 GLY HA2 1 76 LEU HG 1.600 . 2.200 2.389 2.281 2.458 0.258 1 0 "[ . 1 . 2]" 1
667 1 70 GLY HA3 1 71 VAL H 2.400 . 3.100 2.721 2.680 2.779 . 0 0 "[ . 1 . 2]" 1
668 1 71 VAL H 1 71 VAL HA 2.700 . 3.600 2.838 2.819 2.863 . 0 0 "[ . 1 . 2]" 1
669 1 71 VAL H 1 71 VAL HB 1.900 . 2.300 2.333 2.303 2.352 0.052 10 0 "[ . 1 . 2]" 1
670 1 71 VAL H 1 71 VAL MG1 3.600 . 5.200 3.681 3.669 3.688 . 0 0 "[ . 1 . 2]" 1
671 1 71 VAL H 1 71 VAL MG2 2.400 . 3.100 1.935 1.866 2.038 . 0 0 "[ . 1 . 2]" 1
672 1 71 VAL H 1 72 ALA H 2.200 . 2.800 2.653 2.566 2.722 . 0 0 "[ . 1 . 2]" 1
673 1 71 VAL H 1 72 ALA MB 5.700 . 6.000 4.395 4.292 4.476 . 0 0 "[ . 1 . 2]" 1
674 1 71 VAL H 1 76 LEU HG 4.100 . 6.000 4.054 3.856 4.486 . 0 0 "[ . 1 . 2]" 1
675 1 71 VAL HA 1 71 VAL HB 2.700 . 3.600 2.873 2.870 2.875 . 0 0 "[ . 1 . 2]" 1
676 1 71 VAL HA 1 71 VAL MG1 2.200 . 2.800 2.281 2.253 2.313 . 0 0 "[ . 1 . 2]" 1
677 1 71 VAL HA 1 71 VAL MG2 2.200 . 2.800 2.249 2.215 2.281 . 0 0 "[ . 1 . 2]" 1
678 1 71 VAL HA 1 72 ALA H 3.800 . 5.700 3.555 3.536 3.570 . 0 0 "[ . 1 . 2]" 1
679 1 71 VAL HA 1 73 SER H 6.000 . 6.000 4.564 4.380 4.812 . 0 0 "[ . 1 . 2]" 1
680 1 71 VAL HA 1 74 GLY H 4.600 . 6.000 3.770 3.478 4.043 . 0 0 "[ . 1 . 2]" 1
681 1 71 VAL HA 1 75 ASN H 6.000 . 6.000 4.744 4.243 5.293 . 0 0 "[ . 1 . 2]" 1
682 1 71 VAL HA 1 106 TYR QE 2.500 . 3.300 2.914 2.324 3.412 0.112 19 0 "[ . 1 . 2]" 1
683 1 71 VAL HB 1 71 VAL MG1 2.000 . 2.500 2.137 2.134 2.139 . 0 0 "[ . 1 . 2]" 1
684 1 71 VAL HB 1 71 VAL MG2 1.900 . 2.300 2.118 2.115 2.120 . 0 0 "[ . 1 . 2]" 1
685 1 71 VAL HB 1 72 ALA H 1.700 . 2.200 2.297 2.250 2.329 0.129 12 0 "[ . 1 . 2]" 1
686 1 71 VAL MG1 1 71 VAL MG2 2.200 . 6.000 2.082 2.074 2.093 . 0 0 "[ . 1 . 2]" 1
687 1 71 VAL MG1 1 72 ALA H 4.500 . 6.000 3.239 3.119 3.347 . 0 0 "[ . 1 . 2]" 1
688 1 71 VAL MG1 1 72 ALA MB 4.200 . 6.000 3.520 3.235 3.793 . 0 0 "[ . 1 . 2]" 1
689 1 71 VAL MG1 1 106 TYR QD 5.000 . 6.000 4.627 3.919 5.375 . 0 0 "[ . 1 . 2]" 1
690 1 71 VAL MG1 1 106 TYR QE 2.900 . 4.000 2.776 2.055 3.814 . 0 0 "[ . 1 . 2]" 1
691 1 71 VAL MG2 1 72 ALA H 4.000 . 6.000 3.680 3.634 3.738 . 0 0 "[ . 1 . 2]" 1
692 1 71 VAL MG2 1 72 ALA HA 6.000 . 6.000 4.883 4.791 5.011 . 0 0 "[ . 1 . 2]" 1
693 1 71 VAL MG2 1 106 TYR QD 3.600 . 5.300 3.354 2.793 4.087 . 0 0 "[ . 1 . 2]" 1
694 1 71 VAL MG2 1 106 TYR QE 2.600 . 6.000 2.392 1.676 3.321 . 0 0 "[ . 1 . 2]" 1
695 1 72 ALA H 1 72 ALA HA 2.600 . 3.400 2.873 2.853 2.895 . 0 0 "[ . 1 . 2]" 1
696 1 72 ALA H 1 72 ALA MB 2.300 . 2.900 2.279 2.254 2.325 . 0 0 "[ . 1 . 2]" 1
697 1 72 ALA H 1 73 SER H 1.700 . 2.200 2.377 2.310 2.430 0.230 10 0 "[ . 1 . 2]" 1
698 1 72 ALA HA 1 72 ALA MB 2.400 . 3.100 2.128 2.125 2.132 . 0 0 "[ . 1 . 2]" 1
699 1 72 ALA HA 1 74 GLY H 3.100 . 4.300 3.834 3.641 4.053 . 0 0 "[ . 1 . 2]" 1
700 1 72 ALA HA 1 75 ASN H 3.100 . 6.000 6.166 6.078 6.287 0.287 9 0 "[ . 1 . 2]" 1
701 1 72 ALA MB 1 73 SER H 2.900 . 4.000 2.793 2.687 2.890 . 0 0 "[ . 1 . 2]" 1
702 1 72 ALA MB 1 74 GLY H 2.500 . 6.000 4.385 4.285 4.468 . 0 0 "[ . 1 . 2]" 1
703 1 73 SER H 1 73 SER HA 2.500 . 3.300 2.847 2.813 2.871 . 0 0 "[ . 1 . 2]" 1
704 1 73 SER H 1 73 SER QB 2.300 . 3.000 2.375 2.259 2.624 . 0 0 "[ . 1 . 2]" 1
705 1 73 SER H 1 74 GLY H 2.200 . 2.800 2.496 2.358 2.655 . 0 0 "[ . 1 . 2]" 1
706 1 73 SER HA 1 73 SER QB 3.500 . 5.000 2.352 2.191 2.429 . 0 0 "[ . 1 . 2]" 1
707 1 73 SER HA 1 74 GLY H 3.700 . 5.400 3.478 3.440 3.507 . 0 0 "[ . 1 . 2]" 1
708 1 73 SER HA 1 75 ASN H 5.600 . 6.000 4.661 4.502 4.948 . 0 0 "[ . 1 . 2]" 1
709 1 73 SER HA 1 76 LEU HG 1.600 . 2.200 2.308 2.268 2.375 0.175 8 0 "[ . 1 . 2]" 1
710 1 73 SER QB 1 75 ASN HD22 5.000 . 6.000 3.251 1.864 4.586 0.036 4 0 "[ . 1 . 2]" 1
711 1 74 GLY H 1 74 GLY HA2 2.100 . 2.600 2.332 2.293 2.405 . 0 0 "[ . 1 . 2]" 1
712 1 74 GLY H 1 74 GLY HA3 2.800 . 3.800 2.898 2.846 2.946 . 0 0 "[ . 1 . 2]" 1
713 1 74 GLY H 1 75 ASN H 2.000 . 2.500 2.344 2.141 2.521 0.021 17 0 "[ . 1 . 2]" 1
714 1 74 GLY H 1 75 ASN QB 6.000 . 6.000 5.118 5.012 5.249 . 0 0 "[ . 1 . 2]" 1
715 1 74 GLY H 1 76 LEU HG 6.000 . 6.000 6.064 6.016 6.130 0.130 16 0 "[ . 1 . 2]" 1
716 1 74 GLY HA2 1 75 ASN H 2.900 . 4.000 3.052 2.877 3.332 . 0 0 "[ . 1 . 2]" 1
717 1 74 GLY HA3 1 75 ASN H 3.600 . 5.200 3.411 3.174 3.501 . 0 0 "[ . 1 . 2]" 1
718 1 74 GLY HA3 1 75 ASN HD21 4.200 . 6.000 4.274 3.066 6.415 0.415 2 0 "[ . 1 . 2]" 1
719 1 75 ASN H 1 75 ASN HA 2.200 . 2.800 2.849 2.779 2.906 0.106 13 0 "[ . 1 . 2]" 1
720 1 75 ASN H 1 75 ASN HB2 3.600 . 5.200 4.000 3.910 4.091 . 0 0 "[ . 1 . 2]" 1
721 1 75 ASN H 1 75 ASN QB 3.100 . 4.300 3.334 3.181 3.437 . 0 0 "[ . 1 . 2]" 1
722 1 75 ASN H 1 75 ASN HB3 3.400 . 4.800 3.570 3.368 3.721 . 0 0 "[ . 1 . 2]" 1
723 1 75 ASN H 1 75 ASN HD21 5.300 . 6.000 3.598 2.704 4.794 . 0 0 "[ . 1 . 2]" 1
724 1 75 ASN H 1 76 LEU H 2.000 . 2.500 2.529 2.372 2.648 0.148 10 0 "[ . 1 . 2]" 1
725 1 75 ASN H 1 76 LEU QB 5.300 . 6.000 3.916 3.677 4.249 . 0 0 "[ . 1 . 2]" 1
726 1 75 ASN H 1 76 LEU HG 5.500 . 6.000 5.278 5.061 5.657 . 0 0 "[ . 1 . 2]" 1
727 1 75 ASN H 1 99 LYS QD 6.000 . 6.000 4.145 3.767 5.240 . 0 0 "[ . 1 . 2]" 1
728 1 75 ASN HA 1 75 ASN QB 1.800 . 2.200 2.179 2.161 2.185 . 0 0 "[ . 1 . 2]" 1
729 1 75 ASN HA 1 76 LEU H 2.000 . 2.500 2.578 2.396 2.694 0.194 13 0 "[ . 1 . 2]" 1
730 1 75 ASN HA 1 76 LEU QB 2.900 . 3.900 2.522 2.248 3.001 . 0 0 "[ . 1 . 2]" 1
731 1 75 ASN HA 1 99 LYS QD 2.900 . 4.000 2.129 1.581 3.011 0.219 7 0 "[ . 1 . 2]" 1
732 1 75 ASN QB 1 75 ASN HD21 2.800 . 3.700 2.257 2.134 2.770 . 0 0 "[ . 1 . 2]" 1
733 1 75 ASN QB 1 76 LEU H 5.500 . 6.000 3.996 3.933 4.028 . 0 0 "[ . 1 . 2]" 1
734 1 75 ASN HB2 1 75 ASN HD21 3.500 . 5.000 3.226 2.287 3.489 . 0 0 "[ . 1 . 2]" 1
735 1 75 ASN HB2 1 76 LEU H 4.800 . 6.000 4.373 4.279 4.436 . 0 0 "[ . 1 . 2]" 1
736 1 75 ASN HB3 1 75 ASN HD21 3.300 . 4.600 2.430 2.183 3.544 . 0 0 "[ . 1 . 2]" 1
737 1 75 ASN HB3 1 76 LEU H 4.900 . 6.000 4.622 4.588 4.646 . 0 0 "[ . 1 . 2]" 1
738 1 76 LEU H 1 76 LEU HA 2.300 . 3.000 2.805 2.664 2.844 . 0 0 "[ . 1 . 2]" 1
739 1 76 LEU H 1 76 LEU QB 1.900 . 2.300 2.093 2.063 2.140 . 0 0 "[ . 1 . 2]" 1
740 1 76 LEU H 1 76 LEU QB 2.200 . 2.800 2.089 2.060 2.132 . 0 0 "[ . 1 . 2]" 1
741 1 76 LEU H 1 76 LEU HG 2.800 . 3.800 3.985 3.934 4.013 0.213 19 0 "[ . 1 . 2]" 1
742 1 76 LEU H 1 99 LYS H 5.000 . 6.000 4.394 4.121 4.719 . 0 0 "[ . 1 . 2]" 1
743 1 76 LEU H 1 106 TYR QD 5.400 . 6.000 3.435 3.044 3.841 . 0 0 "[ . 1 . 2]" 1
744 1 76 LEU HA 1 76 LEU HG 1.900 . 2.400 2.309 2.268 2.375 . 0 0 "[ . 1 . 2]" 1
745 1 76 LEU HA 1 77 ASN H 1.900 . 2.300 2.308 2.228 2.388 0.088 9 0 "[ . 1 . 2]" 1
746 1 76 LEU QB 1 76 LEU HG 1.500 . 2.200 2.325 2.307 2.336 0.136 10 0 "[ . 1 . 2]" 1
747 1 76 LEU QB 1 100 ALA H 3.300 . 4.700 3.765 3.698 3.817 . 0 0 "[ . 1 . 2]" 1
748 1 76 LEU HB2 1 105 SER QB 4.800 . 6.000 5.415 4.581 5.676 . 0 0 "[ . 1 . 2]" 1
749 1 76 LEU QB 1 106 TYR QD 1.900 . 2.400 2.282 2.126 2.436 0.036 20 0 "[ . 1 . 2]" 1
750 1 76 LEU QB 1 106 TYR QE 2.500 . 3.300 2.794 2.652 2.963 . 0 0 "[ . 1 . 2]" 1
751 1 76 LEU HG 1 77 ASN H 3.500 . 5.000 4.401 4.073 4.589 . 0 0 "[ . 1 . 2]" 1
752 1 76 LEU HG 1 78 THR H 6.000 . 6.000 5.969 5.669 6.125 0.125 6 0 "[ . 1 . 2]" 1
753 1 76 LEU HG 1 99 LYS H 3.800 . 6.000 6.281 6.198 6.339 0.339 16 0 "[ . 1 . 2]" 1
754 1 76 LEU HG 1 106 TYR QD 2.800 . 6.000 5.006 4.881 5.162 . 0 0 "[ . 1 . 2]" 1
755 1 77 ASN H 1 77 ASN QB 4.200 . 6.000 2.888 2.610 3.166 . 0 0 "[ . 1 . 2]" 1
756 1 77 ASN H 1 99 LYS H 5.800 . 6.000 4.317 4.168 4.536 . 0 0 "[ . 1 . 2]" 1
757 1 77 ASN HA 1 77 ASN QB 1.800 . 2.200 2.035 1.928 2.096 . 0 0 "[ . 1 . 2]" 1
758 1 77 ASN HA 1 78 THR H 1.500 . 2.200 2.186 2.133 2.221 0.021 19 0 "[ . 1 . 2]" 1
759 1 77 ASN HA 1 98 LYS HA 1.600 . 2.200 1.942 1.667 2.249 0.049 15 0 "[ . 1 . 2]" 1
760 1 77 ASN HA 1 99 LYS H 3.300 . 4.700 3.175 2.942 3.357 . 0 0 "[ . 1 . 2]" 1
761 1 77 ASN QB 1 77 ASN HD21 3.000 . 4.100 2.239 2.135 2.774 . 0 0 "[ . 1 . 2]" 1
762 1 77 ASN QB 1 78 THR H 5.100 . 6.000 3.821 3.585 4.024 . 0 0 "[ . 1 . 2]" 1
763 1 77 ASN QB 1 99 LYS HA 5.200 . 6.000 4.706 4.477 4.946 . 0 0 "[ . 1 . 2]" 1
764 1 78 THR H 1 78 THR HA 2.400 . 3.100 2.908 2.844 2.941 . 0 0 "[ . 1 . 2]" 1
765 1 78 THR H 1 78 THR HB 3.900 . 5.800 3.101 2.637 3.624 . 0 0 "[ . 1 . 2]" 1
766 1 78 THR H 1 78 THR MG 3.300 . 4.600 3.240 2.296 3.931 . 0 0 "[ . 1 . 2]" 1
767 1 78 THR H 1 79 MET HA 4.400 . 6.000 3.961 3.775 4.094 . 0 0 "[ . 1 . 2]" 1
768 1 78 THR H 1 79 MET QG 4.200 . 6.000 3.146 2.510 4.239 . 0 0 "[ . 1 . 2]" 1
769 1 78 THR H 1 95 VAL HB 4.900 . 6.000 6.270 6.144 6.339 0.339 11 0 "[ . 1 . 2]" 1
770 1 78 THR H 1 96 HIS HD1 3.200 . 4.500 3.599 2.954 4.517 0.017 9 0 "[ . 1 . 2]" 1
771 1 78 THR H 1 97 MET H 2.400 . 3.100 2.891 2.734 3.101 0.001 18 0 "[ . 1 . 2]" 1
772 1 78 THR H 1 97 MET QB 3.700 . 5.400 3.171 2.512 4.302 . 0 0 "[ . 1 . 2]" 1
773 1 78 THR H 1 98 LYS HA 3.100 . 4.300 3.747 3.472 4.105 . 0 0 "[ . 1 . 2]" 1
774 1 78 THR H 1 98 LYS QG 6.000 . 6.000 5.729 5.228 6.024 0.024 1 0 "[ . 1 . 2]" 1
775 1 78 THR HA 1 78 THR HB 2.800 . 3.800 2.583 2.279 2.883 . 0 0 "[ . 1 . 2]" 1
776 1 78 THR HA 1 78 THR MG 3.600 . 5.200 2.504 2.098 3.128 . 0 0 "[ . 1 . 2]" 1
777 1 78 THR HA 1 79 MET H 1.700 . 2.200 2.273 2.220 2.335 0.135 18 0 "[ . 1 . 2]" 1
778 1 78 THR HA 1 96 HIS HB2 2.600 . 3.400 2.477 2.415 2.552 . 0 0 "[ . 1 . 2]" 1
779 1 78 THR HB 1 78 THR MG 2.200 . 2.800 1.891 1.887 1.893 . 0 0 "[ . 1 . 2]" 1
780 1 78 THR HB 1 79 MET H 3.700 . 5.400 3.459 2.380 3.817 . 0 0 "[ . 1 . 2]" 1
781 1 78 THR MG 1 79 MET H 4.900 . 6.000 2.768 1.881 3.482 0.019 9 0 "[ . 1 . 2]" 1
782 1 78 THR MG 1 97 MET H 3.300 . 6.000 4.423 3.178 5.332 . 0 0 "[ . 1 . 2]" 1
783 1 78 THR MG 1 97 MET QB 3.200 . 6.000 4.460 2.814 5.901 . 0 0 "[ . 1 . 2]" 1
784 1 79 MET H 1 79 MET HA 2.800 . 3.800 2.933 2.887 2.950 . 0 0 "[ . 1 . 2]" 1
785 1 79 MET H 1 79 MET HB2 3.400 . 4.800 3.767 3.662 3.972 . 0 0 "[ . 1 . 2]" 1
786 1 79 MET H 1 79 MET HB3 3.200 . 4.500 3.199 2.843 3.456 . 0 0 "[ . 1 . 2]" 1
787 1 79 MET H 1 79 MET QG 3.600 . 5.200 2.296 1.954 3.028 0.046 16 0 "[ . 1 . 2]" 1
788 1 79 MET HA 1 80 PHE HB2 2.600 . 3.500 2.489 2.430 2.562 . 0 0 "[ . 1 . 2]" 1
789 1 79 MET HA 1 79 MET HB2 2.800 . 3.800 2.490 2.404 2.553 . 0 0 "[ . 1 . 2]" 1
790 1 79 MET HA 1 79 MET HB3 2.400 . 3.100 2.398 2.347 2.477 . 0 0 "[ . 1 . 2]" 1
791 1 79 MET HA 1 80 PHE H 2.100 . 2.600 2.129 2.058 2.241 . 0 0 "[ . 1 . 2]" 1
792 1 79 MET HA 1 95 VAL H 5.600 . 6.000 4.432 4.191 4.671 . 0 0 "[ . 1 . 2]" 1
793 1 79 MET HA 1 96 HIS HD2 2.700 . 3.600 2.445 2.230 2.932 . 0 0 "[ . 1 . 2]" 1
794 1 79 MET HA 1 96 HIS HB3 3.000 . 4.100 3.004 2.989 3.015 . 0 0 "[ . 1 . 2]" 1
795 1 79 MET HA 1 96 HIS HD2 4.000 . 6.000 3.601 2.782 4.965 . 0 0 "[ . 1 . 2]" 1
796 1 79 MET HB2 1 80 PHE H 3.800 . 5.600 3.257 2.815 3.503 . 0 0 "[ . 1 . 2]" 1
797 1 79 MET HB2 1 81 GLU QG 4.700 . 6.000 5.176 3.201 6.065 0.065 10 0 "[ . 1 . 2]" 1
798 1 79 MET HB2 1 95 VAL H 3.800 . 5.600 3.392 2.728 3.818 . 0 0 "[ . 1 . 2]" 1
799 1 79 MET HB2 1 95 VAL H 3.800 . 5.700 5.060 4.771 5.276 . 0 0 "[ . 1 . 2]" 1
800 1 79 MET HB3 1 80 PHE H 3.900 . 5.800 4.110 3.940 4.276 . 0 0 "[ . 1 . 2]" 1
801 1 79 MET HB3 1 95 VAL H 4.900 . 6.000 6.069 6.020 6.135 0.135 17 0 "[ . 1 . 2]" 1
802 1 79 MET QG 1 80 PHE H 5.800 . 6.000 4.253 3.892 4.623 . 0 0 "[ . 1 . 2]" 1
803 1 79 MET HG2 1 96 HIS HD1 4.300 . 6.000 4.523 3.094 5.735 . 0 0 "[ . 1 . 2]" 1
804 1 80 PHE H 1 80 PHE HA 2.600 . 3.500 2.913 2.857 2.949 . 0 0 "[ . 1 . 2]" 1
805 1 80 PHE H 1 80 PHE HB3 4.400 . 6.000 2.847 2.583 3.338 . 0 0 "[ . 1 . 2]" 1
806 1 80 PHE H 1 80 PHE QD 5.400 . 6.000 4.297 2.743 4.506 . 0 0 "[ . 1 . 2]" 1
807 1 80 PHE H 1 81 GLU H 4.800 . 6.000 4.227 3.893 4.396 . 0 0 "[ . 1 . 2]" 1
808 1 80 PHE HA 1 80 PHE HB3 2.900 . 3.900 3.002 2.449 3.035 . 0 0 "[ . 1 . 2]" 1
809 1 80 PHE HA 1 80 PHE QD 3.400 . 4.800 2.746 2.172 3.742 . 0 0 "[ . 1 . 2]" 1
810 1 80 PHE HA 1 81 GLU H 1.900 . 2.300 2.208 2.140 2.316 0.016 17 0 "[ . 1 . 2]" 1
811 1 80 PHE HA 1 95 VAL MG2 3.800 . 5.600 3.264 3.121 3.379 . 0 0 "[ . 1 . 2]" 1
812 1 80 PHE HB2 1 80 PHE QD 2.500 . 3.300 2.483 2.333 2.693 . 0 0 "[ . 1 . 2]" 1
813 1 80 PHE HB2 1 81 GLU H 3.800 . 5.600 4.163 3.100 4.461 . 0 0 "[ . 1 . 2]" 1
814 1 80 PHE HB3 1 80 PHE QD 2.400 . 3.100 2.323 2.268 2.459 . 0 0 "[ . 1 . 2]" 1
815 1 80 PHE HB3 1 81 GLU H 4.300 . 6.000 4.117 3.728 4.365 . 0 0 "[ . 1 . 2]" 1
816 1 80 PHE QD 1 81 GLU H 4.700 . 6.000 3.468 2.972 4.129 . 0 0 "[ . 1 . 2]" 1
817 1 80 PHE QD 1 82 TYR H 4.800 . 6.000 4.159 3.596 4.875 . 0 0 "[ . 1 . 2]" 1
818 1 80 PHE QD 1 82 TYR HB3 3.100 . 4.300 3.953 2.111 5.262 0.962 4 2 "[ +. 1- . 2]" 1
819 1 80 PHE QD 1 95 VAL H 3.900 . 5.800 4.586 4.022 5.224 . 0 0 "[ . 1 . 2]" 1
820 1 80 PHE QD 1 95 VAL MG2 4.000 . 6.000 3.112 2.446 3.573 . 0 0 "[ . 1 . 2]" 1
821 1 81 GLU H 1 81 GLU HA 2.900 . 3.900 2.925 2.910 2.948 . 0 0 "[ . 1 . 2]" 1
822 1 81 GLU H 1 81 GLU HB2 2.700 . 3.600 2.930 2.409 3.778 0.178 17 0 "[ . 1 . 2]" 1
823 1 81 GLU H 1 81 GLU HB3 3.400 . 4.800 3.467 2.957 3.723 . 0 0 "[ . 1 . 2]" 1
824 1 81 GLU H 1 81 GLU QG 3.500 . 5.000 2.442 1.902 3.453 0.098 4 0 "[ . 1 . 2]" 1
825 1 81 GLU H 1 82 TYR H 5.300 . 6.000 4.349 4.214 4.498 . 0 0 "[ . 1 . 2]" 1
826 1 81 GLU HA 1 81 GLU QB 2.100 . 2.700 2.299 2.156 2.413 . 0 0 "[ . 1 . 2]" 1
827 1 81 GLU HA 1 81 GLU QG 3.700 . 5.400 2.790 2.370 3.357 . 0 0 "[ . 1 . 2]" 1
828 1 81 GLU HA 1 82 TYR H 1.600 . 2.200 2.138 2.065 2.196 . 0 0 "[ . 1 . 2]" 1
829 1 81 GLU HA 1 94 LYS HA 1.800 . 2.200 2.032 1.786 2.326 0.126 9 0 "[ . 1 . 2]" 1
830 1 81 GLU HA 1 95 VAL H 2.400 . 3.100 3.155 2.912 3.313 0.213 13 0 "[ . 1 . 2]" 1
831 1 81 GLU HB2 1 82 TYR H 3.400 . 4.800 3.954 3.023 4.420 . 0 0 "[ . 1 . 2]" 1
832 1 81 GLU HB2 1 95 VAL H 4.300 . 6.000 5.747 5.218 6.143 0.143 13 0 "[ . 1 . 2]" 1
833 1 81 GLU HB3 1 82 TYR H 3.700 . 5.400 3.732 3.159 4.235 . 0 0 "[ . 1 . 2]" 1
834 1 81 GLU QG 1 82 TYR H 6.000 . 6.000 4.281 4.050 4.862 . 0 0 "[ . 1 . 2]" 1
835 1 82 TYR H 1 82 TYR HA 2.700 . 3.600 2.942 2.932 2.948 . 0 0 "[ . 1 . 2]" 1
836 1 82 TYR H 1 82 TYR QB 2.800 . 3.800 2.561 2.381 3.117 . 0 0 "[ . 1 . 2]" 1
837 1 82 TYR H 1 82 TYR HB3 3.300 . 4.700 2.750 2.510 3.321 . 0 0 "[ . 1 . 2]" 1
838 1 82 TYR H 1 92 LYS HG2 6.000 . 6.000 4.335 3.289 5.834 . 0 0 "[ . 1 . 2]" 1
839 1 82 TYR H 1 93 VAL H 2.900 . 3.900 3.514 3.175 3.952 0.052 12 0 "[ . 1 . 2]" 1
840 1 82 TYR HB2 1 82 TYR QD 2.900 . 3.900 2.476 2.317 2.763 . 0 0 "[ . 1 . 2]" 1
841 1 82 TYR HB3 1 82 TYR QD 2.900 . 4.000 2.391 2.283 2.650 . 0 0 "[ . 1 . 2]" 1
842 1 82 TYR HB3 1 93 VAL MG2 4.700 . 6.000 2.930 1.902 4.899 0.098 11 0 "[ . 1 . 2]" 1
843 1 83 THR HA 1 83 THR MG 2.700 . 3.600 2.424 2.056 3.128 . 0 0 "[ . 1 . 2]" 1
844 1 83 THR HA 1 84 PHE H 1.800 . 2.200 2.218 2.144 2.263 0.063 15 0 "[ . 1 . 2]" 1
845 1 83 THR HA 1 93 VAL HB 2.100 . 2.700 2.286 2.245 2.313 . 0 0 "[ . 1 . 2]" 1
846 1 83 THR HA 1 93 VAL MG1 2.500 . 3.300 2.162 2.132 2.203 . 0 0 "[ . 1 . 2]" 1
847 1 83 THR MG 1 84 PHE H 3.600 . 5.300 3.084 1.948 3.831 . 0 0 "[ . 1 . 2]" 1
848 1 83 THR MG 1 84 PHE H 3.400 . 4.900 2.657 1.914 3.441 . 0 0 "[ . 1 . 2]" 1
849 1 83 THR MG 1 84 PHE QD 6.000 . 6.000 4.547 2.973 5.343 . 0 0 "[ . 1 . 2]" 1
850 1 84 PHE H 1 84 PHE HA 2.400 . 3.100 2.867 2.263 2.945 . 0 0 "[ . 1 . 2]" 1
851 1 84 PHE H 1 84 PHE HB2 4.200 . 6.000 2.809 2.301 3.912 . 0 0 "[ . 1 . 2]" 1
852 1 84 PHE H 1 84 PHE HB2 3.600 . 5.200 2.446 2.220 3.382 . 0 0 "[ . 1 . 2]" 1
853 1 84 PHE H 1 84 PHE QD 2.900 . 3.900 2.602 1.871 3.531 0.029 12 0 "[ . 1 . 2]" 1
854 1 84 PHE H 1 84 PHE QE 6.000 . 6.000 4.477 3.663 5.185 . 0 0 "[ . 1 . 2]" 1
855 1 84 PHE H 1 91 THR HB 6.000 . 6.000 4.127 2.880 6.065 0.065 1 0 "[ . 1 . 2]" 1
856 1 84 PHE HA 1 84 PHE HB2 3.100 . 4.300 2.863 2.384 3.008 . 0 0 "[ . 1 . 2]" 1
857 1 84 PHE HA 1 84 PHE HB3 2.600 . 3.400 2.490 2.285 2.599 . 0 0 "[ . 1 . 2]" 1
858 1 84 PHE HA 1 84 PHE QD 3.300 . 4.700 3.042 2.417 3.740 . 0 0 "[ . 1 . 2]" 1
859 1 84 PHE HA 1 85 ASP H 2.800 . 3.800 2.438 2.082 3.498 . 0 0 "[ . 1 . 2]" 1
860 1 84 PHE HB2 1 84 PHE QD 2.900 . 3.900 2.379 2.239 2.763 . 0 0 "[ . 1 . 2]" 1
861 1 84 PHE HB2 1 85 ASP H 5.300 . 6.000 4.053 2.715 4.550 . 0 0 "[ . 1 . 2]" 1
862 1 84 PHE HB3 1 84 PHE QD 2.900 . 3.900 2.425 2.333 2.650 . 0 0 "[ . 1 . 2]" 1
863 1 84 PHE HB3 1 85 ASP H 5.600 . 6.000 3.749 2.358 4.479 . 0 0 "[ . 1 . 2]" 1
864 1 84 PHE QD 1 85 ASP H 6.000 . 6.000 4.244 3.425 4.805 . 0 0 "[ . 1 . 2]" 1
865 1 84 PHE QD 1 91 THR MG 5.000 . 6.000 3.726 2.148 5.554 . 0 0 "[ . 1 . 2]" 1
866 1 84 PHE QE 1 91 THR MG 2.300 . 6.000 4.129 2.283 6.139 0.139 3 0 "[ . 1 . 2]" 1
867 1 84 PHE QE 1 93 VAL H 4.100 . 6.000 4.342 3.077 6.135 0.135 12 0 "[ . 1 . 2]" 1
868 1 85 ASP H 1 85 ASP HA 2.900 . 3.900 2.814 2.261 2.935 . 0 0 "[ . 1 . 2]" 1
869 1 85 ASP H 1 85 ASP QB 4.500 . 6.000 2.575 2.249 3.289 . 0 0 "[ . 1 . 2]" 1
870 1 86 TYR HA 1 87 GLN H 3.500 . 5.000 2.976 2.142 3.572 . 0 0 "[ . 1 . 2]" 1
871 1 86 TYR QD 1 87 GLN HA 4.700 . 6.000 5.108 3.688 6.032 0.032 14 0 "[ . 1 . 2]" 1
872 1 87 GLN QB 1 87 GLN HE21 4.300 . 6.000 3.188 1.742 4.013 0.258 18 0 "[ . 1 . 2]" 1
873 1 87 GLN HE21 1 87 GLN QG 3.300 . 4.700 2.278 2.146 2.785 . 0 0 "[ . 1 . 2]" 1
874 1 89 THR H 1 89 THR HB 3.200 . 4.500 2.968 2.470 3.523 . 0 0 "[ . 1 . 2]" 1
875 1 89 THR H 1 89 THR MG 4.300 . 6.000 3.146 1.936 3.833 0.064 10 0 "[ . 1 . 2]" 1
876 1 89 THR HA 1 90 PRO HD2 2.700 . 3.600 2.680 1.835 3.183 . 0 0 "[ . 1 . 2]" 1
877 1 89 THR HA 1 90 PRO HD3 2.300 . 2.900 2.057 1.787 2.778 . 0 0 "[ . 1 . 2]" 1
878 1 89 THR HB 1 90 PRO HD2 1.800 . 2.200 1.740 1.611 1.759 . 0 0 "[ . 1 . 2]" 1
879 1 89 THR MG 1 90 PRO HD2 4.100 . 6.000 3.171 1.988 4.159 0.012 20 0 "[ . 1 . 2]" 1
880 1 89 THR MG 1 90 PRO HD2 2.900 . 3.900 2.064 1.827 2.119 0.073 20 0 "[ . 1 . 2]" 1
881 1 89 THR MG 1 90 PRO HD3 5.100 . 6.000 3.468 2.443 4.591 . 0 0 "[ . 1 . 2]" 1
882 1 90 PRO QB 1 90 PRO HD2 4.100 . 6.000 3.078 2.850 3.549 . 0 0 "[ . 1 . 2]" 1
883 1 90 PRO QB 1 90 PRO HD3 4.000 . 6.000 3.400 2.903 3.553 . 0 0 "[ . 1 . 2]" 1
884 1 90 PRO QB 1 90 PRO QG 1.900 . 2.400 1.963 1.942 1.976 . 0 0 "[ . 1 . 2]" 1
885 1 90 PRO QB 1 91 THR H 4.700 . 6.000 3.560 1.983 3.995 . 0 0 "[ . 1 . 2]" 1
886 1 90 PRO HD2 1 90 PRO QG 3.000 . 4.100 2.228 2.177 2.251 . 0 0 "[ . 1 . 2]" 1
887 1 91 THR H 1 91 THR HB 3.600 . 5.200 2.626 2.390 3.602 . 0 0 "[ . 1 . 2]" 1
888 1 91 THR HA 1 91 THR HB 2.600 . 3.400 2.467 2.266 2.616 . 0 0 "[ . 1 . 2]" 1
889 1 91 THR HA 1 91 THR MG 2.400 . 3.100 2.171 2.117 2.235 . 0 0 "[ . 1 . 2]" 1
890 1 91 THR HA 1 92 LYS H 1.700 . 2.200 2.202 2.150 2.328 0.128 1 0 "[ . 1 . 2]" 1
891 1 91 THR HA 1 92 LYS HG3 1.800 . 2.200 2.105 2.093 2.120 . 0 0 "[ . 1 . 2]" 1
892 1 91 THR HA 1 93 VAL MG1 6.000 . 6.000 4.204 2.395 4.742 . 0 0 "[ . 1 . 2]" 1
893 1 91 THR HB 1 92 LYS H 6.000 . 6.000 3.908 2.255 4.236 . 0 0 "[ . 1 . 2]" 1
894 1 91 THR MG 1 92 LYS H 3.800 . 5.600 3.034 2.272 3.422 . 0 0 "[ . 1 . 2]" 1
895 1 91 THR MG 1 112 ARG QD 3.000 . 6.000 3.694 2.372 4.965 . 0 0 "[ . 1 . 2]" 1
896 1 92 LYS H 1 92 LYS HA 2.700 . 3.600 2.920 2.825 2.949 . 0 0 "[ . 1 . 2]" 1
897 1 92 LYS H 1 92 LYS QB 2.400 . 2.800 2.363 2.267 2.519 . 0 0 "[ . 1 . 2]" 1
898 1 92 LYS H 1 92 LYS HG2 5.000 . 6.000 4.412 4.301 4.546 . 0 0 "[ . 1 . 2]" 1
899 1 92 LYS H 1 92 LYS HG3 5.200 . 6.000 4.645 4.497 4.786 . 0 0 "[ . 1 . 2]" 1
900 1 92 LYS H 1 93 VAL H 4.300 . 6.000 4.313 4.088 4.519 . 0 0 "[ . 1 . 2]" 1
901 1 92 LYS H 1 93 VAL MG2 6.000 . 6.000 4.158 1.902 5.147 . 0 0 "[ . 1 . 2]" 1
902 1 92 LYS HA 1 93 VAL H 1.600 . 2.200 2.168 2.115 2.226 0.026 3 0 "[ . 1 . 2]" 1
903 1 92 LYS QB 1 93 VAL MG2 3.300 . 4.700 3.183 1.876 4.086 0.024 12 0 "[ . 1 . 2]" 1
904 1 92 LYS QB 1 93 VAL H 4.000 . 6.000 3.851 3.727 3.975 . 0 0 "[ . 1 . 2]" 1
905 1 92 LYS QB 1 93 VAL H 3.600 . 5.200 3.781 3.669 3.928 . 0 0 "[ . 1 . 2]" 1
906 1 92 LYS QB 1 93 VAL MG2 3.400 . 4.800 3.251 1.876 4.164 0.124 12 0 "[ . 1 . 2]" 1
907 1 92 LYS QB 1 113 VAL H 3.300 . 4.700 3.562 2.769 4.623 . 0 0 "[ . 1 . 2]" 1
908 1 92 LYS HG2 1 93 VAL H 2.700 . 3.600 3.201 2.500 3.850 0.250 12 0 "[ . 1 . 2]" 1
909 1 92 LYS HG2 1 93 VAL MG2 3.500 . 5.000 3.948 2.519 4.510 . 0 0 "[ . 1 . 2]" 1
910 1 92 LYS HG3 1 93 VAL H 3.100 . 4.300 3.732 3.068 4.358 0.058 10 0 "[ . 1 . 2]" 1
911 1 92 LYS HG3 1 93 VAL MG1 3.900 . 5.800 4.945 4.084 5.599 . 0 0 "[ . 1 . 2]" 1
912 1 93 VAL H 1 93 VAL HA 2.200 . 2.800 2.923 2.909 2.935 0.135 4 0 "[ . 1 . 2]" 1
913 1 93 VAL H 1 93 VAL HB 3.600 . 5.200 3.624 3.587 3.689 . 0 0 "[ . 1 . 2]" 1
914 1 93 VAL H 1 93 VAL MG1 3.300 . 4.700 2.705 2.501 2.963 . 0 0 "[ . 1 . 2]" 1
915 1 93 VAL H 1 93 VAL MG2 2.100 . 2.700 1.898 1.819 2.030 . 0 0 "[ . 1 . 2]" 1
916 1 93 VAL H 1 94 LYS H 3.900 . 5.800 4.470 4.403 4.516 . 0 0 "[ . 1 . 2]" 1
917 1 93 VAL HA 1 94 LYS H 1.600 . 2.200 2.312 2.275 2.408 0.208 4 0 "[ . 1 . 2]" 1
918 1 93 VAL HA 1 112 ARG HA 1.600 . 2.200 2.123 1.794 2.274 0.074 20 0 "[ . 1 . 2]" 1
919 1 93 VAL HA 1 113 VAL H 3.000 . 4.100 3.317 2.643 3.959 . 0 0 "[ . 1 . 2]" 1
920 1 93 VAL HB 1 94 LYS H 1.800 . 2.200 2.242 2.169 2.289 0.089 15 0 "[ . 1 . 2]" 1
921 1 93 VAL HB 1 111 LYS H 3.200 . 4.500 2.822 2.125 3.461 . 0 0 "[ . 1 . 2]" 1
922 1 93 VAL MG1 1 94 LYS H 3.700 . 5.400 3.470 3.396 3.557 . 0 0 "[ . 1 . 2]" 1
923 1 93 VAL MG2 1 94 LYS H 3.400 . 4.900 3.428 3.341 3.500 . 0 0 "[ . 1 . 2]" 1
924 1 94 LYS H 1 94 LYS HA 2.300 . 2.900 2.936 2.917 2.954 0.054 17 0 "[ . 1 . 2]" 1
925 1 94 LYS H 1 94 LYS QB 2.400 . 3.100 2.675 2.375 3.143 0.043 15 0 "[ . 1 . 2]" 1
926 1 94 LYS H 1 94 LYS QB 2.600 . 3.400 2.632 2.369 3.092 . 0 0 "[ . 1 . 2]" 1
927 1 94 LYS H 1 94 LYS QD 4.000 . 6.000 4.459 2.270 5.174 . 0 0 "[ . 1 . 2]" 1
928 1 94 LYS H 1 94 LYS QD 4.400 . 6.000 4.191 2.267 4.680 . 0 0 "[ . 1 . 2]" 1
929 1 94 LYS H 1 94 LYS QG 3.400 . 4.900 3.322 2.253 4.182 . 0 0 "[ . 1 . 2]" 1
930 1 94 LYS H 1 94 LYS QG 4.700 . 6.000 3.260 2.252 4.109 . 0 0 "[ . 1 . 2]" 1
931 1 94 LYS H 1 111 LYS H 1.800 . 2.200 2.288 2.141 2.385 0.185 12 0 "[ . 1 . 2]" 1
932 1 94 LYS H 1 112 ARG HA 3.900 . 5.800 3.687 3.194 3.987 . 0 0 "[ . 1 . 2]" 1
933 1 94 LYS H 1 113 VAL H 5.700 . 6.000 4.956 3.296 5.851 . 0 0 "[ . 1 . 2]" 1
934 1 94 LYS HA 1 95 VAL H 1.500 . 2.200 2.169 2.106 2.243 0.043 3 0 "[ . 1 . 2]" 1
935 1 94 LYS QB 1 111 LYS H 3.200 . 4.500 2.931 2.478 3.596 . 0 0 "[ . 1 . 2]" 1
936 1 94 LYS QD 1 95 VAL H 5.600 . 6.000 4.933 3.907 5.755 . 0 0 "[ . 1 . 2]" 1
937 1 94 LYS QD 1 113 VAL MG1 3.500 . 6.000 4.764 2.173 6.204 0.204 3 0 "[ . 1 . 2]" 1
938 1 94 LYS QG 1 95 VAL H 3.500 . 5.000 3.655 2.714 4.597 . 0 0 "[ . 1 . 2]" 1
939 1 94 LYS QG 1 95 VAL H 4.000 . 6.000 3.651 2.714 4.587 . 0 0 "[ . 1 . 2]" 1
940 1 95 VAL H 1 95 VAL HA 2.400 . 3.100 2.936 2.909 2.952 . 0 0 "[ . 1 . 2]" 1
941 1 95 VAL H 1 95 VAL HB 3.800 . 5.600 3.277 2.691 3.619 . 0 0 "[ . 1 . 2]" 1
942 1 95 VAL H 1 95 VAL MG1 3.500 . 5.100 3.227 2.614 3.780 . 0 0 "[ . 1 . 2]" 1
943 1 95 VAL H 1 95 VAL MG2 3.000 . 4.100 1.887 1.838 2.062 0.062 11 0 "[ . 1 . 2]" 1
944 1 95 VAL H 1 96 HIS H 5.100 . 6.000 4.326 3.883 4.553 . 0 0 "[ . 1 . 2]" 1
945 1 95 VAL H 1 96 HIS HB2 6.000 . 6.000 5.526 4.875 5.961 . 0 0 "[ . 1 . 2]" 1
946 1 95 VAL HA 1 96 HIS H 1.700 . 2.200 2.165 2.092 2.236 0.036 19 0 "[ . 1 . 2]" 1
947 1 95 VAL HA 1 110 VAL MG1 2.900 . 3.900 2.522 1.925 3.104 . 0 0 "[ . 1 . 2]" 1
948 1 95 VAL HB 1 97 MET QB 4.000 . 6.000 4.339 3.011 5.313 . 0 0 "[ . 1 . 2]" 1
949 1 95 VAL MG1 1 96 HIS H 4.000 . 6.000 3.289 2.202 3.750 . 0 0 "[ . 1 . 2]" 1
950 1 95 VAL MG2 1 96 HIS H 4.600 . 6.000 4.100 3.841 4.341 . 0 0 "[ . 1 . 2]" 1
951 1 95 VAL MG2 1 109 PHE H 4.300 . 6.000 5.946 5.409 6.402 0.402 2 0 "[ . 1 . 2]" 1
952 1 96 HIS H 1 96 HIS HA 2.900 . 3.900 2.931 2.912 2.947 . 0 0 "[ . 1 . 2]" 1
953 1 96 HIS H 1 96 HIS HB2 3.000 . 4.200 2.978 2.661 3.209 . 0 0 "[ . 1 . 2]" 1
954 1 96 HIS H 1 96 HIS HB3 2.900 . 4.000 2.758 2.605 2.936 . 0 0 "[ . 1 . 2]" 1
955 1 96 HIS H 1 109 PHE H 2.400 . 3.100 3.103 2.914 3.239 0.139 13 0 "[ . 1 . 2]" 1
956 1 96 HIS H 1 109 PHE QB 4.100 . 6.000 3.034 2.483 4.867 . 0 0 "[ . 1 . 2]" 1
957 1 96 HIS HA 1 96 HIS HB2 2.900 . 3.900 2.536 2.491 2.603 . 0 0 "[ . 1 . 2]" 1
958 1 96 HIS HA 1 96 HIS HD2 2.300 . 2.900 2.516 2.260 3.020 0.120 10 0 "[ . 1 . 2]" 1
959 1 96 HIS HA 1 97 MET H 1.600 . 2.200 2.117 2.096 2.144 . 0 0 "[ . 1 . 2]" 1
960 1 96 HIS HB2 1 97 MET H 5.300 . 6.000 4.480 4.433 4.526 . 0 0 "[ . 1 . 2]" 1
961 1 96 HIS HB3 1 97 MET H 5.500 . 6.000 4.331 4.256 4.386 . 0 0 "[ . 1 . 2]" 1
962 1 96 HIS HB3 1 109 PHE H 3.900 . 5.800 3.546 2.917 4.116 . 0 0 "[ . 1 . 2]" 1
963 1 96 HIS HB3 1 109 PHE QD 3.300 . 4.700 2.921 2.089 3.466 . 0 0 "[ . 1 . 2]" 1
964 1 96 HIS HD1 1 97 MET H 2.700 . 3.600 3.062 2.638 3.641 0.041 20 0 "[ . 1 . 2]" 1
965 1 97 MET H 1 97 MET HA 2.500 . 3.300 2.935 2.918 2.950 . 0 0 "[ . 1 . 2]" 1
966 1 97 MET H 1 97 MET QB 2.400 . 3.100 2.552 2.272 3.012 . 0 0 "[ . 1 . 2]" 1
967 1 97 MET H 1 97 MET QG 3.200 . 4.500 2.873 1.892 4.098 0.008 11 0 "[ . 1 . 2]" 1
968 1 97 MET HA 1 97 MET QB 2.300 . 3.000 2.359 2.173 2.547 . 0 0 "[ . 1 . 2]" 1
969 1 97 MET HA 1 98 LYS H 1.500 . 2.200 2.239 2.181 2.280 0.080 20 0 "[ . 1 . 2]" 1
970 1 97 MET HA 1 108 VAL MG1 5.800 . 6.000 4.235 4.003 5.075 . 0 0 "[ . 1 . 2]" 1
971 1 97 MET HA 1 109 PHE H 2.500 . 3.300 3.182 2.965 3.372 0.072 8 0 "[ . 1 . 2]" 1
972 1 97 MET QB 1 98 LYS H 3.800 . 5.600 3.068 2.773 3.827 . 0 0 "[ . 1 . 2]" 1
973 1 97 MET QG 1 98 LYS H 4.800 . 6.000 3.969 3.124 4.360 . 0 0 "[ . 1 . 2]" 1
974 1 97 MET QG 1 108 VAL MG1 4.000 . 6.000 3.212 2.319 5.005 . 0 0 "[ . 1 . 2]" 1
975 1 98 LYS H 1 98 LYS HA 2.400 . 3.100 2.911 2.889 2.937 . 0 0 "[ . 1 . 2]" 1
976 1 98 LYS H 1 98 LYS QB 3.400 . 4.800 3.121 2.587 3.248 . 0 0 "[ . 1 . 2]" 1
977 1 98 LYS H 1 98 LYS QD 5.200 . 6.000 4.428 4.129 4.915 . 0 0 "[ . 1 . 2]" 1
978 1 98 LYS H 1 98 LYS QG 3.800 . 5.600 2.645 2.249 4.199 . 0 0 "[ . 1 . 2]" 1
979 1 98 LYS H 1 107 TRP H 1.800 . 2.200 2.426 2.382 2.462 0.262 6 0 "[ . 1 . 2]" 1
980 1 98 LYS H 1 108 VAL HA 4.700 . 6.000 4.229 4.068 4.395 . 0 0 "[ . 1 . 2]" 1
981 1 98 LYS H 1 108 VAL QG 6.000 . 6.000 4.365 4.115 5.038 . 0 0 "[ . 1 . 2]" 1
982 1 98 LYS HA 1 98 LYS QB 2.100 . 2.600 2.198 2.168 2.449 . 0 0 "[ . 1 . 2]" 1
983 1 98 LYS HA 1 98 LYS QG 2.700 . 3.600 3.245 2.306 3.355 . 0 0 "[ . 1 . 2]" 1
984 1 98 LYS HA 1 99 LYS H 1.400 . 2.200 2.133 2.059 2.178 . 0 0 "[ . 1 . 2]" 1
985 1 98 LYS QB 1 107 TRP H 6.000 . 6.000 4.229 3.285 4.554 . 0 0 "[ . 1 . 2]" 1
986 1 98 LYS QD 1 107 TRP H 5.500 . 6.000 4.839 3.935 5.544 . 0 0 "[ . 1 . 2]" 1
987 1 98 LYS QG 1 106 TYR QD 5.200 . 6.000 5.399 5.138 5.761 . 0 0 "[ . 1 . 2]" 1
988 1 98 LYS QG 1 109 PHE QD 3.900 . 5.800 3.430 2.563 5.114 . 0 0 "[ . 1 . 2]" 1
989 1 98 LYS QG 1 109 PHE QE 2.600 . 3.400 2.552 1.806 3.513 0.113 8 0 "[ . 1 . 2]" 1
990 1 98 LYS HG2 1 107 TRP HE1 1.900 . 2.300 2.160 1.994 2.342 0.042 13 0 "[ . 1 . 2]" 1
991 1 99 LYS H 1 99 LYS HA 2.300 . 3.000 2.720 2.705 2.734 . 0 0 "[ . 1 . 2]" 1
992 1 99 LYS H 1 99 LYS HB2 1.600 . 2.200 2.395 2.344 2.436 0.236 18 0 "[ . 1 . 2]" 1
993 1 99 LYS H 1 99 LYS QB 1.600 . 2.200 2.103 2.071 2.127 . 0 0 "[ . 1 . 2]" 1
994 1 99 LYS H 1 99 LYS HB3 1.600 . 2.200 2.331 2.280 2.375 0.175 15 0 "[ . 1 . 2]" 1
995 1 99 LYS H 1 99 LYS QD 4.600 . 6.000 4.199 4.115 4.353 . 0 0 "[ . 1 . 2]" 1
996 1 99 LYS H 1 99 LYS QG 3.000 . 4.100 3.885 3.873 3.900 . 0 0 "[ . 1 . 2]" 1
997 1 99 LYS H 1 106 TYR H 6.000 . 6.000 4.119 3.931 4.301 . 0 0 "[ . 1 . 2]" 1
998 1 99 LYS H 1 106 TYR HB2 5.200 . 6.000 4.763 4.592 4.845 . 0 0 "[ . 1 . 2]" 1
999 1 99 LYS H 1 106 TYR QD 3.300 . 4.700 2.801 2.624 3.024 . 0 0 "[ . 1 . 2]" 1
1000 1 99 LYS H 1 106 TYR HA 5.200 . 6.000 4.309 4.089 4.498 . 0 0 "[ . 1 . 2]" 1
1001 1 99 LYS H 1 106 TYR QD 3.900 . 5.800 2.935 2.699 3.249 . 0 0 "[ . 1 . 2]" 1
1002 1 99 LYS HA 1 106 TYR QD 1.600 . 2.200 1.686 1.463 1.876 . 0 0 "[ . 1 . 2]" 1
1003 1 99 LYS HA 1 107 TRP H 3.000 . 4.100 3.557 3.360 3.640 . 0 0 "[ . 1 . 2]" 1
1004 1 99 LYS HA 1 107 TRP HD1 1.600 . 2.200 2.373 2.300 2.475 0.275 2 0 "[ . 1 . 2]" 1
1005 1 99 LYS HA 1 100 ALA MB 4.800 . 6.000 3.956 3.923 3.992 . 0 0 "[ . 1 . 2]" 1
1006 1 99 LYS HA 1 106 TYR QE 4.200 . 6.000 3.341 3.100 3.681 . 0 0 "[ . 1 . 2]" 1
1007 1 99 LYS HB2 1 106 TYR QD 1.800 . 2.200 2.290 2.242 2.348 0.148 18 0 "[ . 1 . 2]" 1
1008 1 99 LYS HB2 1 106 TYR QE 2.200 . 2.800 2.319 2.096 2.831 0.031 15 0 "[ . 1 . 2]" 1
1009 1 99 LYS QD 1 106 TYR QE 3.000 . 4.200 2.806 2.291 3.660 . 0 0 "[ . 1 . 2]" 1
1010 1 99 LYS QG 1 100 ALA H 3.300 . 4.600 3.139 2.865 3.306 . 0 0 "[ . 1 . 2]" 1
1011 1 99 LYS QG 1 101 LEU QB 4.000 . 6.000 5.942 5.549 6.089 0.089 9 0 "[ . 1 . 2]" 1
1012 1 99 LYS QG 1 106 TYR QD 3.700 . 5.400 3.144 2.716 3.361 . 0 0 "[ . 1 . 2]" 1
1013 1 99 LYS QG 1 106 TYR QE 3.200 . 4.500 2.499 2.225 2.709 . 0 0 "[ . 1 . 2]" 1
1014 1 100 ALA H 1 105 SER H 4.100 . 6.000 3.866 3.343 5.243 . 0 0 "[ . 1 . 2]" 1
1015 1 100 ALA H 1 106 TYR HA 1.600 . 2.200 2.145 1.932 2.296 0.096 7 0 "[ . 1 . 2]" 1
1016 1 100 ALA H 1 106 TYR HB2 4.900 . 6.000 5.024 4.787 5.186 . 0 0 "[ . 1 . 2]" 1
1017 1 100 ALA H 1 106 TYR HB3 4.900 . 6.000 4.326 3.998 4.518 . 0 0 "[ . 1 . 2]" 1
1018 1 100 ALA H 1 106 TYR QD 2.500 . 3.300 2.925 2.806 3.027 . 0 0 "[ . 1 . 2]" 1
1019 1 100 ALA H 1 107 TRP H 4.600 . 6.000 3.594 3.381 3.752 . 0 0 "[ . 1 . 2]" 1
1020 1 100 ALA HA 1 101 LEU H 2.000 . 2.500 2.243 2.169 2.293 . 0 0 "[ . 1 . 2]" 1
1021 1 100 ALA HA 1 102 SER HB3 2.700 . 3.600 2.508 2.312 3.019 . 0 0 "[ . 1 . 2]" 1
1022 1 100 ALA HA 1 107 TRP HE1 2.200 . 2.800 2.576 2.242 2.845 0.045 4 0 "[ . 1 . 2]" 1
1023 1 100 ALA MB 1 101 LEU H 4.800 . 6.000 2.790 2.622 3.108 . 0 0 "[ . 1 . 2]" 1
1024 1 100 ALA MB 1 102 SER H 3.100 . 4.300 2.465 2.309 2.767 . 0 0 "[ . 1 . 2]" 1
1025 1 100 ALA MB 1 103 GLY H 4.200 . 6.000 2.873 2.189 3.878 . 0 0 "[ . 1 . 2]" 1
1026 1 100 ALA MB 1 104 ASP QB 6.000 . 6.000 4.946 4.561 5.149 . 0 0 "[ . 1 . 2]" 1
1027 1 100 ALA MB 1 105 SER H 3.200 . 6.000 3.491 3.150 4.627 . 0 0 "[ . 1 . 2]" 1
1028 1 100 ALA MB 1 107 TRP H 4.400 . 6.000 3.776 3.446 4.216 . 0 0 "[ . 1 . 2]" 1
1029 1 100 ALA MB 1 107 TRP HE1 1.900 . 2.400 2.161 1.994 2.343 . 0 0 "[ . 1 . 2]" 1
1030 1 101 LEU H 1 101 LEU QB 3.100 . 4.300 2.399 2.208 2.718 . 0 0 "[ . 1 . 2]" 1
1031 1 101 LEU H 1 101 LEU HG 4.900 . 6.000 3.244 1.877 4.540 0.023 5 0 "[ . 1 . 2]" 1
1032 1 101 LEU HA 1 101 LEU QB 2.400 . 3.100 2.346 2.159 2.458 . 0 0 "[ . 1 . 2]" 1
1033 1 101 LEU HA 1 101 LEU QD 3.100 . 4.300 2.300 1.873 3.401 0.027 4 0 "[ . 1 . 2]" 1
1034 1 101 LEU HA 1 102 SER H 3.400 . 4.900 3.346 3.207 3.471 . 0 0 "[ . 1 . 2]" 1
1035 1 101 LEU QB 1 101 LEU QD 2.900 . 3.900 1.980 1.911 2.084 . 0 0 "[ . 1 . 2]" 1
1036 1 101 LEU QB 1 102 SER H 3.800 . 5.600 3.290 2.836 3.939 . 0 0 "[ . 1 . 2]" 1
1037 1 102 SER H 1 102 SER HB2 3.400 . 4.900 2.873 2.476 3.548 . 0 0 "[ . 1 . 2]" 1
1038 1 102 SER H 1 102 SER HB3 3.900 . 5.800 3.168 2.523 3.610 . 0 0 "[ . 1 . 2]" 1
1039 1 102 SER HA 1 102 SER HB2 3.000 . 4.100 2.797 2.489 3.032 . 0 0 "[ . 1 . 2]" 1
1040 1 102 SER HA 1 102 SER HB3 3.000 . 4.100 2.512 2.313 3.032 . 0 0 "[ . 1 . 2]" 1
1041 1 102 SER HA 1 103 GLY H 3.800 . 5.600 3.502 3.221 3.591 . 0 0 "[ . 1 . 2]" 1
1042 1 102 SER HB3 1 103 GLY H 4.500 . 6.000 3.719 2.228 4.475 . 0 0 "[ . 1 . 2]" 1
1043 1 103 GLY H 1 103 GLY HA2 2.800 . 3.800 2.514 2.337 2.758 . 0 0 "[ . 1 . 2]" 1
1044 1 103 GLY H 1 105 SER H 5.200 . 6.000 4.121 3.238 5.982 . 0 0 "[ . 1 . 2]" 1
1045 1 103 GLY HA2 1 104 ASP H 3.600 . 5.200 2.880 2.072 3.575 . 0 0 "[ . 1 . 2]" 1
1046 1 103 GLY HA3 1 104 ASP H 2.900 . 3.900 2.597 2.133 3.272 . 0 0 "[ . 1 . 2]" 1
1047 1 104 ASP H 1 104 ASP HA 2.500 . 3.300 2.612 2.252 2.933 . 0 0 "[ . 1 . 2]" 1
1048 1 104 ASP H 1 104 ASP QB 3.500 . 5.100 2.713 2.254 3.296 . 0 0 "[ . 1 . 2]" 1
1049 1 104 ASP H 1 105 SER H 3.700 . 5.400 3.250 2.565 4.340 . 0 0 "[ . 1 . 2]" 1
1050 1 104 ASP HA 1 104 ASP QB 2.300 . 3.000 2.370 2.175 2.496 . 0 0 "[ . 1 . 2]" 1
1051 1 104 ASP HA 1 105 SER H 2.100 . 2.600 2.580 2.198 2.896 0.296 17 0 "[ . 1 . 2]" 1
1052 1 104 ASP HA 1 105 SER HA 3.800 . 5.600 4.340 4.232 4.699 . 0 0 "[ . 1 . 2]" 1
1053 1 104 ASP QB 1 105 SER H 4.700 . 6.000 3.827 2.582 4.012 . 0 0 "[ . 1 . 2]" 1
1054 1 104 ASP HB3 1 105 SER HA 2.300 . 6.000 4.261 4.030 4.534 . 0 0 "[ . 1 . 2]" 1
1055 1 105 SER H 1 105 SER HA 2.200 . 2.800 2.820 2.240 2.910 0.110 17 0 "[ . 1 . 2]" 1
1056 1 105 SER H 1 105 SER QB 3.900 . 4.500 3.322 3.100 3.434 . 0 0 "[ . 1 . 2]" 1
1057 1 105 SER H 1 106 TYR H 4.500 . 6.000 4.288 4.195 4.404 . 0 0 "[ . 1 . 2]" 1
1058 1 105 SER H 1 106 TYR QD 6.000 . 6.000 4.483 4.137 4.842 . 0 0 "[ . 1 . 2]" 1
1059 1 105 SER H 1 106 TYR QE 5.800 . 6.000 4.377 3.909 4.808 . 0 0 "[ . 1 . 2]" 1
1060 1 105 SER HA 1 105 SER QB 1.800 . 2.200 2.160 2.153 2.168 . 0 0 "[ . 1 . 2]" 1
1061 1 105 SER HA 1 106 TYR H 1.700 . 2.200 2.339 2.300 2.430 0.230 16 0 "[ . 1 . 2]" 1
1062 1 105 SER HA 1 106 TYR QD 2.700 . 3.600 3.496 3.349 3.631 0.031 16 0 "[ . 1 . 2]" 1
1063 1 105 SER HA 1 106 TYR QE 4.000 . 6.000 4.282 4.114 4.437 . 0 0 "[ . 1 . 2]" 1
1064 1 105 SER QB 1 106 TYR H 2.100 . 2.600 2.565 2.443 2.637 0.037 2 0 "[ . 1 . 2]" 1
1065 1 106 TYR H 1 106 TYR HA 2.400 . 3.100 2.935 2.917 2.943 . 0 0 "[ . 1 . 2]" 1
1066 1 106 TYR H 1 106 TYR HB2 2.400 . 3.100 2.904 2.827 3.013 . 0 0 "[ . 1 . 2]" 1
1067 1 106 TYR H 1 106 TYR HB3 3.700 . 5.400 3.915 3.871 3.969 . 0 0 "[ . 1 . 2]" 1
1068 1 106 TYR H 1 106 TYR QD 2.400 . 3.100 3.113 2.976 3.175 0.075 18 0 "[ . 1 . 2]" 1
1069 1 106 TYR H 1 107 TRP H 4.100 . 6.000 4.337 4.269 4.390 . 0 0 "[ . 1 . 2]" 1
1070 1 106 TYR HA 1 106 TYR QD 2.900 . 3.900 2.840 2.729 2.925 . 0 0 "[ . 1 . 2]" 1
1071 1 106 TYR HA 1 107 TRP H 1.500 . 2.200 2.229 2.149 2.277 0.077 10 0 "[ . 1 . 2]" 1
1072 1 106 TYR HB2 1 106 TYR QD 1.600 . 2.200 2.317 2.291 2.336 0.136 9 0 "[ . 1 . 2]" 1
1073 1 106 TYR HB2 1 106 TYR QE 4.100 . 6.000 4.379 4.367 4.390 . 0 0 "[ . 1 . 2]" 1
1074 1 106 TYR HB3 1 106 TYR QD 1.600 . 2.200 2.419 2.390 2.453 0.253 16 0 "[ . 1 . 2]" 1
1075 1 106 TYR HB3 1 106 TYR QE 4.200 . 6.000 4.408 4.398 4.422 . 0 0 "[ . 1 . 2]" 1
1076 1 106 TYR HB3 1 107 TRP H 2.400 . 3.100 3.096 2.916 3.169 0.069 16 0 "[ . 1 . 2]" 1
1077 1 107 TRP H 1 107 TRP HA 2.200 . 2.800 2.896 2.883 2.914 0.114 10 0 "[ . 1 . 2]" 1
1078 1 107 TRP H 1 107 TRP HB2 1.800 . 2.200 2.338 2.296 2.384 0.184 6 0 "[ . 1 . 2]" 1
1079 1 107 TRP H 1 107 TRP HB3 2.800 . 3.800 3.581 3.555 3.609 . 0 0 "[ . 1 . 2]" 1
1080 1 107 TRP H 1 107 TRP HD1 1.700 . 2.200 2.380 2.321 2.453 0.253 16 0 "[ . 1 . 2]" 1
1081 1 107 TRP H 1 107 TRP HE3 3.000 . 4.100 3.402 3.245 3.587 . 0 0 "[ . 1 . 2]" 1
1082 1 107 TRP HA 1 107 TRP HD1 3.400 . 4.800 3.729 3.658 3.814 . 0 0 "[ . 1 . 2]" 1
1083 1 107 TRP HA 1 107 TRP HE3 3.100 . 4.300 3.813 3.725 3.888 . 0 0 "[ . 1 . 2]" 1
1084 1 107 TRP HA 1 108 VAL H 1.400 . 2.200 2.298 2.272 2.315 0.115 18 0 "[ . 1 . 2]" 1
1085 1 107 TRP HB2 1 107 TRP HD1 2.200 . 2.800 2.855 2.834 2.885 0.085 11 0 "[ . 1 . 2]" 1
1086 1 107 TRP HB2 1 107 TRP HE3 3.000 . 4.100 3.862 3.835 3.880 . 0 0 "[ . 1 . 2]" 1
1087 1 107 TRP HB2 1 108 VAL H 3.000 . 4.100 3.646 3.606 3.695 . 0 0 "[ . 1 . 2]" 1
1088 1 107 TRP HB3 1 107 TRP HD1 2.500 . 6.000 3.900 3.888 3.919 . 0 0 "[ . 1 . 2]" 1
1089 1 107 TRP HB3 1 108 VAL H 1.700 . 2.200 2.368 2.318 2.435 0.235 11 0 "[ . 1 . 2]" 1
1090 1 107 TRP HE3 1 108 VAL H 2.900 . 3.900 3.433 3.267 3.631 . 0 0 "[ . 1 . 2]" 1
1091 1 108 VAL H 1 108 VAL HA 3.000 . 4.100 2.935 2.897 2.944 . 0 0 "[ . 1 . 2]" 1
1092 1 108 VAL H 1 108 VAL HB 2.000 . 2.500 2.603 2.562 2.945 0.445 17 0 "[ . 1 . 2]" 1
1093 1 108 VAL H 1 108 VAL QG 2.800 . 3.800 2.670 2.098 2.809 . 0 0 "[ . 1 . 2]" 1
1094 1 108 VAL H 1 108 VAL MG2 2.800 . 3.800 2.816 2.686 3.837 0.037 17 0 "[ . 1 . 2]" 1
1095 1 108 VAL HA 1 109 PHE H 1.700 . 2.200 2.231 2.177 2.278 0.078 11 0 "[ . 1 . 2]" 1
1096 1 108 VAL HA 1 110 VAL H 3.500 . 6.000 5.488 5.147 6.024 0.024 13 0 "[ . 1 . 2]" 1
1097 1 108 VAL MG1 1 109 PHE H 4.200 . 6.000 3.244 2.975 4.104 . 0 0 "[ . 1 . 2]" 1
1098 1 108 VAL MG2 1 109 PHE H 2.700 . 6.000 4.143 3.260 4.238 . 0 0 "[ . 1 . 2]" 1
1099 1 109 PHE H 1 109 PHE HA 2.700 . 3.600 2.939 2.913 2.954 . 0 0 "[ . 1 . 2]" 1
1100 1 109 PHE H 1 109 PHE QB . . 2.500 2.512 2.260 2.752 0.252 13 0 "[ . 1 . 2]" 1
1101 1 109 PHE H 1 109 PHE QD 2.600 . 3.400 2.541 2.045 2.861 . 0 0 "[ . 1 . 2]" 1
1102 1 109 PHE H 1 109 PHE QE 6.000 . 6.000 4.532 4.369 4.815 . 0 0 "[ . 1 . 2]" 1
1103 1 109 PHE HA 1 109 PHE QD 2.800 . 3.800 3.051 2.702 3.701 . 0 0 "[ . 1 . 2]" 1
1104 1 109 PHE HA 1 110 VAL H 1.500 . 2.200 2.192 2.168 2.218 0.018 8 0 "[ . 1 . 2]" 1
1105 1 109 PHE QB 1 109 PHE QD 2.100 . 2.500 2.126 2.112 2.154 . 0 0 "[ . 1 . 2]" 1
1106 1 109 PHE QB 1 110 VAL H 3.300 . 4.700 3.404 2.908 3.597 . 0 0 "[ . 1 . 2]" 1
1107 1 109 PHE QD 1 110 VAL H 4.900 . 6.000 4.440 3.364 4.792 . 0 0 "[ . 1 . 2]" 1
1108 1 110 VAL H 1 110 VAL HA 2.800 . 3.800 2.936 2.907 2.948 . 0 0 "[ . 1 . 2]" 1
1109 1 110 VAL H 1 110 VAL HB 3.100 . 4.300 3.163 2.409 3.688 . 0 0 "[ . 1 . 2]" 1
1110 1 110 VAL H 1 110 VAL MG1 3.300 . 4.700 2.507 1.889 3.848 0.011 8 0 "[ . 1 . 2]" 1
1111 1 110 VAL H 1 110 VAL MG2 3.600 . 5.200 2.818 1.842 3.886 0.158 12 0 "[ . 1 . 2]" 1
1112 1 110 VAL H 1 111 LYS H 4.100 . 6.000 4.455 4.292 4.566 . 0 0 "[ . 1 . 2]" 1
1113 1 110 VAL HA 1 111 LYS H 1.600 . 2.200 2.226 2.138 2.338 0.138 13 0 "[ . 1 . 2]" 1
1114 1 110 VAL HB 1 110 VAL MG1 2.100 . 2.700 2.126 2.118 2.133 . 0 0 "[ . 1 . 2]" 1
1115 1 110 VAL HB 1 111 LYS H 3.300 . 4.600 3.308 2.186 4.065 . 0 0 "[ . 1 . 2]" 1
1116 1 110 VAL MG1 1 111 LYS H 3.500 . 5.000 3.491 2.454 3.830 . 0 0 "[ . 1 . 2]" 1
1117 1 110 VAL MG2 1 111 LYS H 3.300 . 4.700 3.016 1.950 4.168 . 0 0 "[ . 1 . 2]" 1
1118 1 111 LYS H 1 111 LYS HA 2.200 . 2.800 2.901 2.860 2.929 0.129 20 0 "[ . 1 . 2]" 1
1119 1 111 LYS H 1 111 LYS HB2 3.200 . 4.500 3.051 2.528 3.993 . 0 0 "[ . 1 . 2]" 1
1120 1 111 LYS H 1 111 LYS HD3 5.700 . 6.000 5.027 2.305 5.971 . 0 0 "[ . 1 . 2]" 1
1121 1 111 LYS H 1 111 LYS QG 3.700 . 5.400 3.509 2.627 4.363 . 0 0 "[ . 1 . 2]" 1
1122 1 111 LYS H 1 112 ARG QG 5.600 . 6.000 5.459 4.143 6.036 0.036 9 0 "[ . 1 . 2]" 1
1123 1 111 LYS HA 1 112 ARG H 1.600 . 2.200 2.203 2.127 2.298 0.098 19 0 "[ . 1 . 2]" 1
1124 1 111 LYS HB2 1 112 ARG H 3.200 . 4.500 4.096 2.755 4.457 . 0 0 "[ . 1 . 2]" 1
1125 1 111 LYS HB3 1 112 ARG H 3.400 . 4.900 3.649 2.509 4.395 . 0 0 "[ . 1 . 2]" 1
1126 1 111 LYS QG 1 112 ARG H 4.000 . 6.000 3.679 2.380 4.761 . 0 0 "[ . 1 . 2]" 1
1127 1 112 ARG H 1 112 ARG HA 2.800 . 3.700 2.917 2.873 2.950 . 0 0 "[ . 1 . 2]" 1
1128 1 112 ARG H 1 112 ARG HB2 3.100 . 4.300 3.525 2.442 3.794 . 0 0 "[ . 1 . 2]" 1
1129 1 112 ARG H 1 112 ARG QB 2.500 . 3.300 2.774 2.406 3.128 . 0 0 "[ . 1 . 2]" 1
1130 1 112 ARG H 1 112 ARG HB3 3.200 . 4.400 3.043 2.573 3.693 . 0 0 "[ . 1 . 2]" 1
1131 1 112 ARG H 1 112 ARG QD 5.700 . 6.000 4.050 3.780 4.277 . 0 0 "[ . 1 . 2]" 1
1132 1 112 ARG H 1 112 ARG QG 2.600 . 3.500 2.186 1.809 2.567 . 0 0 "[ . 1 . 2]" 1
1133 1 112 ARG H 1 113 VAL H 5.200 . 6.000 4.418 4.091 4.583 . 0 0 "[ . 1 . 2]" 1
1134 1 112 ARG HA 1 113 VAL H 1.600 . 2.200 2.185 2.084 2.279 0.079 14 0 "[ . 1 . 2]" 1
1135 1 112 ARG QB 1 113 VAL H 3.600 . 5.200 3.019 2.542 3.715 . 0 0 "[ . 1 . 2]" 1
1136 1 112 ARG HB3 1 113 VAL H 3.200 . 4.400 3.967 3.283 4.473 0.073 13 0 "[ . 1 . 2]" 1
1137 1 112 ARG QD 1 112 ARG QG 2.100 . 2.600 2.038 1.996 2.092 . 0 0 "[ . 1 . 2]" 1
1138 1 113 VAL H 1 113 VAL HA 2.600 . 3.400 2.777 2.245 2.943 . 0 0 "[ . 1 . 2]" 1
1139 1 113 VAL H 1 113 VAL HB 3.600 . 5.200 3.047 2.390 3.818 . 0 0 "[ . 1 . 2]" 1
1140 1 113 VAL H 1 113 VAL MG1 3.200 . 4.400 2.939 1.887 3.970 0.113 12 0 "[ . 1 . 2]" 1
1141 1 113 VAL H 1 113 VAL MG2 4.800 . 6.000 2.883 1.907 3.927 0.093 14 0 "[ . 1 . 2]" 1
1142 1 113 VAL HA 1 113 VAL MG1 3.200 . 4.400 2.557 2.036 3.136 . 0 0 "[ . 1 . 2]" 1
1143 1 113 VAL HA 1 113 VAL MG2 2.900 . 3.900 2.462 2.240 3.133 . 0 0 "[ . 1 . 2]" 1
1144 1 113 VAL HB 1 113 VAL MG1 2.400 . 3.100 2.126 2.111 2.133 . 0 0 "[ . 1 . 2]" 1
1145 1 113 VAL HB 1 113 VAL MG2 2.200 . 2.800 2.115 2.105 2.123 . 0 0 "[ . 1 . 2]" 1
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