NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472088 |
2kzn   |
17008 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kzn
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 591
_Distance_constraint_stats_list.Viol_count 2166
_Distance_constraint_stats_list.Viol_total 4023.391
_Distance_constraint_stats_list.Viol_max 1.852
_Distance_constraint_stats_list.Viol_rms 0.0556
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0170
_Distance_constraint_stats_list.Viol_average_violations_only 0.0929
_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 5 LYS 0.220 0.133 15 0 "[ . 1 . 2]"
1 6 GLU 0.393 0.245 12 0 "[ . 1 . 2]"
1 7 GLU 0.423 0.133 15 0 "[ . 1 . 2]"
1 8 LYS 1.272 0.245 12 0 "[ . 1 . 2]"
1 9 ILE 4.064 0.266 7 0 "[ . 1 . 2]"
1 10 LYS 3.957 0.246 18 0 "[ . 1 . 2]"
1 11 SER 0.140 0.140 12 0 "[ . 1 . 2]"
1 12 LEU 8.306 0.356 9 0 "[ . 1 . 2]"
1 13 ASN 2.108 0.356 9 0 "[ . 1 . 2]"
1 14 ARG 1.805 0.193 14 0 "[ . 1 . 2]"
1 15 MET 1.991 0.241 6 0 "[ . 1 . 2]"
1 16 GLN 2.375 0.224 4 0 "[ . 1 . 2]"
1 17 TYR 7.654 0.308 20 0 "[ . 1 . 2]"
1 18 GLU 2.276 0.241 6 0 "[ . 1 . 2]"
1 19 VAL 15.195 0.270 7 0 "[ . 1 . 2]"
1 20 THR 1.830 0.178 20 0 "[ . 1 . 2]"
1 21 GLN 4.084 0.178 2 0 "[ . 1 . 2]"
1 22 ASN 0.753 0.187 7 0 "[ . 1 . 2]"
1 23 ASN 3.023 0.270 7 0 "[ . 1 . 2]"
1 24 GLY 2.703 0.190 11 0 "[ . 1 . 2]"
1 25 THR 0.440 0.159 19 0 "[ . 1 . 2]"
1 26 GLU 2.007 0.197 5 0 "[ . 1 . 2]"
1 29 PHE 0.719 0.283 1 0 "[ . 1 . 2]"
1 30 GLN 1.089 0.273 1 0 "[ . 1 . 2]"
1 31 ASN 1.958 0.298 6 0 "[ . 1 . 2]"
1 32 GLU 0.583 0.241 14 0 "[ . 1 . 2]"
1 33 TYR 0.496 0.298 6 0 "[ . 1 . 2]"
1 34 TRP 2.749 0.298 6 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 HIS 1.189 0.298 6 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.326 0.179 15 0 "[ . 1 . 2]"
1 41 LEU 16.310 0.582 12 1 "[ . 1 + . 2]"
1 42 TYR 3.054 0.277 2 0 "[ . 1 . 2]"
1 43 VAL 8.719 0.322 14 0 "[ . 1 . 2]"
1 44 ASP 3.608 0.350 6 0 "[ . 1 . 2]"
1 45 ILE 3.812 0.274 5 0 "[ . 1 . 2]"
1 46 VAL 16.002 0.365 20 0 "[ . 1 . 2]"
1 47 SER 1.202 0.138 17 0 "[ . 1 . 2]"
1 48 GLY 2.128 0.172 3 0 "[ . 1 . 2]"
1 49 LYS 1.454 0.240 9 0 "[ . 1 . 2]"
1 51 LEU 7.851 0.312 3 0 "[ . 1 . 2]"
1 52 PHE 3.722 0.322 14 0 "[ . 1 . 2]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 2.935 0.293 11 0 "[ . 1 . 2]"
1 55 LYS 0.673 0.158 17 0 "[ . 1 . 2]"
1 56 ASP 0.383 0.131 18 0 "[ . 1 . 2]"
1 57 LYS 2.057 0.293 11 0 "[ . 1 . 2]"
1 63 GLY 0.036 0.036 18 0 "[ . 1 . 2]"
1 64 TRP 0.847 0.170 18 0 "[ . 1 . 2]"
1 67 PHE 0.409 0.165 1 0 "[ . 1 . 2]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ILE 5.527 0.312 3 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.203 0.041 12 0 "[ . 1 . 2]"
1 74 GLU 4.436 0.258 16 0 "[ . 1 . 2]"
1 75 VAL 8.750 0.374 17 0 "[ . 1 . 2]"
1 76 GLU 3.969 0.261 5 0 "[ . 1 . 2]"
1 77 GLU 0.509 0.179 4 0 "[ . 1 . 2]"
1 78 LYS 1.564 0.171 20 0 "[ . 1 . 2]"
1 79 LEU 7.415 0.266 9 0 "[ . 1 . 2]"
1 80 ASP 0.900 0.089 8 0 "[ . 1 . 2]"
1 81 THR 0.106 0.048 2 0 "[ . 1 . 2]"
1 82 SER 0.106 0.048 2 0 "[ . 1 . 2]"
1 83 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 MET 0.303 0.099 11 0 "[ . 1 . 2]"
1 86 ILE 1.364 0.188 19 0 "[ . 1 . 2]"
1 87 ARG 2.176 0.266 9 0 "[ . 1 . 2]"
1 88 THR 2.766 0.280 15 0 "[ . 1 . 2]"
1 89 GLU 5.031 0.218 16 0 "[ . 1 . 2]"
1 90 VAL 9.165 0.261 5 0 "[ . 1 . 2]"
1 91 ARG 3.217 0.374 17 0 "[ . 1 . 2]"
1 92 SER 10.603 1.852 17 4 "[ * . * . + -2]"
1 95 ALA 0.040 0.040 13 0 "[ . 1 . 2]"
1 96 ASP 2.288 1.042 10 1 "[ . + . 2]"
1 97 SER 7.697 1.852 17 3 "[ - . * . + 2]"
1 98 HIS 1.059 0.286 10 0 "[ . 1 . 2]"
1 99 LEU 2.763 0.837 19 1 "[ . 1 . +2]"
1 100 GLY 1.959 0.203 19 0 "[ . 1 . 2]"
1 101 HIS 2.985 0.255 20 0 "[ . 1 . 2]"
1 102 VAL 12.573 0.280 15 0 "[ . 1 . 2]"
1 103 PHE 2.038 0.213 4 0 "[ . 1 . 2]"
1 104 ASN 0.688 0.298 15 0 "[ . 1 . 2]"
1 105 ASP 0.890 0.198 14 0 "[ . 1 . 2]"
1 106 GLY 0.883 0.298 15 0 "[ . 1 . 2]"
1 108 GLY 0.397 0.089 15 0 "[ . 1 . 2]"
1 110 ASN 1.953 0.961 15 1 "[ . 1 + 2]"
1 111 GLY 0.089 0.089 15 0 "[ . 1 . 2]"
1 112 LEU 4.322 0.961 15 1 "[ . 1 + 2]"
1 113 ARG 2.719 0.220 14 0 "[ . 1 . 2]"
1 114 TYR 0.866 0.165 1 0 "[ . 1 . 2]"
1 115 CYS 3.940 0.255 20 0 "[ . 1 . 2]"
1 116 ILE 1.166 0.129 7 0 "[ . 1 . 2]"
1 117 ASN 3.988 0.224 10 0 "[ . 1 . 2]"
1 118 SER 0.172 0.095 2 0 "[ . 1 . 2]"
1 119 ALA 0.446 0.145 1 0 "[ . 1 . 2]"
1 120 ALA 7.799 0.366 19 0 "[ . 1 . 2]"
1 121 LEU 11.317 0.366 19 0 "[ . 1 . 2]"
1 122 ARG 4.501 0.281 6 0 "[ . 1 . 2]"
1 123 PHE 2.639 0.359 11 0 "[ . 1 . 2]"
1 124 VAL 6.873 0.359 11 0 "[ . 1 . 2]"
1 126 LYS 1.853 0.141 9 0 "[ . 1 . 2]"
1 127 HIS 2.846 0.233 3 0 "[ . 1 . 2]"
1 128 LYS 5.719 0.244 2 0 "[ . 1 . 2]"
1 129 LEU 22.899 0.329 16 0 "[ . 1 . 2]"
1 130 LYS 4.549 0.278 10 0 "[ . 1 . 2]"
1 131 GLU 3.592 0.260 17 0 "[ . 1 . 2]"
1 132 GLU 2.649 0.252 2 0 "[ . 1 . 2]"
1 133 GLY 2.114 0.236 5 0 "[ . 1 . 2]"
1 134 TYR 8.378 0.320 14 0 "[ . 1 . 2]"
1 135 GLU 3.998 0.305 5 0 "[ . 1 . 2]"
1 137 TYR 1.140 0.133 14 0 "[ . 1 . 2]"
1 138 LEU 17.694 0.582 12 1 "[ . 1 + . 2]"
1 140 LEU 5.377 0.325 10 0 "[ . 1 . 2]"
1 141 PHE 3.051 0.478 8 0 "[ . 1 . 2]"
1 142 ASN 0.799 0.192 3 0 "[ . 1 . 2]"
1 144 LEU 0.681 0.192 3 0 "[ . 1 . 2]"
1 145 GLU 0.342 0.141 9 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 5 LYS H 1 6 GLU H 3.910 . 3.910 2.769 2.549 3.077 . 0 0 "[ . 1 . 2]" 1
2 1 5 LYS H 1 7 GLU H 4.570 . 4.570 4.393 4.046 4.703 0.133 15 0 "[ . 1 . 2]" 1
3 1 6 GLU H 1 7 GLU H 3.330 . 3.330 2.774 2.641 3.135 . 0 0 "[ . 1 . 2]" 1
4 1 6 GLU H 1 8 LYS H 4.190 . 4.190 4.024 3.760 4.435 0.245 12 0 "[ . 1 . 2]" 1
5 1 6 GLU H 1 9 ILE H 5.050 . 5.050 4.776 4.590 4.902 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLU H 1 8 LYS H 3.280 . 3.280 2.679 2.033 2.803 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLU H 1 9 ILE H 4.470 . 4.470 4.341 3.622 4.573 0.103 18 0 "[ . 1 . 2]" 1
8 1 8 LYS H 1 9 ILE H 3.260 . 3.260 2.578 2.293 2.785 . 0 0 "[ . 1 . 2]" 1
9 1 8 LYS H 1 9 ILE MD 5.270 . 5.270 5.152 4.776 5.397 0.127 18 0 "[ . 1 . 2]" 1
10 1 8 LYS H 1 10 LYS H 4.250 . 4.250 4.084 3.853 4.409 0.159 12 0 "[ . 1 . 2]" 1
11 1 8 LYS H 1 11 SER H 5.650 . 5.650 5.166 4.790 5.790 0.140 12 0 "[ . 1 . 2]" 1
12 1 9 ILE H 1 9 ILE MD 3.660 . 3.660 3.243 2.901 3.535 . 0 0 "[ . 1 . 2]" 1
13 1 9 ILE H 1 10 LYS H 3.310 . 3.310 2.757 2.644 2.887 . 0 0 "[ . 1 . 2]" 1
14 1 9 ILE H 1 11 SER H 4.860 . 4.860 4.517 4.038 4.764 . 0 0 "[ . 1 . 2]" 1
15 1 9 ILE H 1 12 LEU H 4.940 . 4.940 4.941 4.771 5.110 0.170 13 0 "[ . 1 . 2]" 1
16 1 9 ILE H 1 12 LEU MD2 4.560 . 4.560 4.438 3.789 4.713 0.153 7 0 "[ . 1 . 2]" 1
17 1 9 ILE MD 1 10 LYS H 4.670 . 4.670 4.729 4.606 4.802 0.132 11 0 "[ . 1 . 2]" 1
18 1 9 ILE MD 1 12 LEU MD2 4.420 . 4.420 2.066 1.760 2.603 0.040 9 0 "[ . 1 . 2]" 1
19 1 9 ILE MD 1 13 ASN HD21 3.710 . 3.710 3.358 2.456 3.976 0.266 7 0 "[ . 1 . 2]" 1
20 1 9 ILE MD 1 13 ASN HD22 3.850 . 3.850 2.721 1.771 3.954 0.104 7 0 "[ . 1 . 2]" 1
21 1 9 ILE MD 1 46 VAL MG1 4.360 . 4.360 3.408 2.254 4.439 0.079 19 0 "[ . 1 . 2]" 1
22 1 9 ILE MD 1 46 VAL MG2 5.460 . 5.460 4.482 3.607 5.346 . 0 0 "[ . 1 . 2]" 1
23 1 10 LYS H 1 11 SER H 3.530 . 3.530 2.793 2.573 3.011 . 0 0 "[ . 1 . 2]" 1
24 1 10 LYS H 1 12 LEU H 4.170 . 4.170 4.266 3.994 4.416 0.246 18 0 "[ . 1 . 2]" 1
25 1 10 LYS H 1 12 LEU MD2 5.930 . 5.930 5.524 5.254 5.804 . 0 0 "[ . 1 . 2]" 1
26 1 10 LYS H 1 13 ASN H 5.050 . 5.050 4.797 4.615 5.185 0.135 13 0 "[ . 1 . 2]" 1
27 1 11 SER H 1 12 LEU H 3.140 . 3.140 2.638 2.367 2.881 . 0 0 "[ . 1 . 2]" 1
28 1 11 SER H 1 12 LEU MD2 6.000 . 6.000 5.766 5.411 5.991 . 0 0 "[ . 1 . 2]" 1
29 1 11 SER H 1 13 ASN H 5.610 . 5.610 4.284 4.002 4.543 . 0 0 "[ . 1 . 2]" 1
30 1 12 LEU H 1 12 LEU MD1 4.450 . 4.450 4.124 3.874 4.456 0.006 9 0 "[ . 1 . 2]" 1
31 1 12 LEU H 1 12 LEU MD2 4.440 . 4.440 4.224 4.087 4.495 0.055 20 0 "[ . 1 . 2]" 1
32 1 12 LEU H 1 13 ASN H 4.460 . 4.460 2.876 2.083 3.251 . 0 0 "[ . 1 . 2]" 1
33 1 12 LEU H 1 14 ARG H 5.260 . 5.260 4.176 2.849 4.508 . 0 0 "[ . 1 . 2]" 1
34 1 12 LEU MD1 1 13 ASN H 5.040 . 5.040 4.426 4.092 4.671 . 0 0 "[ . 1 . 2]" 1
35 1 12 LEU MD1 1 13 ASN HD21 4.620 . 4.620 4.382 3.786 4.976 0.356 9 0 "[ . 1 . 2]" 1
36 1 12 LEU MD1 1 13 ASN HD22 5.860 . 5.860 5.160 4.559 6.025 0.165 9 0 "[ . 1 . 2]" 1
37 1 12 LEU MD1 1 14 ARG H 6.000 . 6.000 5.543 5.027 5.845 . 0 0 "[ . 1 . 2]" 1
38 1 12 LEU MD1 1 15 MET H 6.000 . 6.000 4.829 4.401 5.322 . 0 0 "[ . 1 . 2]" 1
39 1 12 LEU MD1 1 16 GLN H 4.510 . 4.510 4.161 3.573 4.584 0.074 13 0 "[ . 1 . 2]" 1
40 1 12 LEU MD1 1 17 TYR H 6.000 . 6.000 6.032 5.167 6.308 0.308 20 0 "[ . 1 . 2]" 1
41 1 12 LEU MD1 1 46 VAL H 5.370 . 5.370 4.511 3.419 5.150 . 0 0 "[ . 1 . 2]" 1
42 1 12 LEU MD1 1 46 VAL MG1 5.210 . 5.210 3.839 2.637 4.497 . 0 0 "[ . 1 . 2]" 1
43 1 12 LEU MD1 1 46 VAL MG2 5.580 . 5.580 5.369 4.122 5.790 0.210 19 0 "[ . 1 . 2]" 1
44 1 12 LEU MD2 1 13 ASN H 4.220 . 4.220 3.917 3.621 4.261 0.041 7 0 "[ . 1 . 2]" 1
45 1 12 LEU MD2 1 13 ASN HD21 4.510 . 4.510 2.768 2.072 3.439 . 0 0 "[ . 1 . 2]" 1
46 1 12 LEU MD2 1 13 ASN HD22 4.730 . 4.730 2.955 2.201 4.709 . 0 0 "[ . 1 . 2]" 1
47 1 12 LEU MD2 1 16 GLN HE21 6.000 . 6.000 3.864 2.499 5.118 . 0 0 "[ . 1 . 2]" 1
48 1 12 LEU MD2 1 45 ILE H 5.440 . 5.440 4.418 3.794 4.908 . 0 0 "[ . 1 . 2]" 1
49 1 12 LEU MD2 1 45 ILE MD . . 4.000 3.481 2.434 4.001 0.001 9 0 "[ . 1 . 2]" 1
50 1 12 LEU MD2 1 46 VAL H 4.400 . 4.400 3.191 2.597 3.930 . 0 0 "[ . 1 . 2]" 1
51 1 12 LEU MD2 1 46 VAL MG1 3.200 . 3.200 2.702 2.107 3.462 0.262 19 0 "[ . 1 . 2]" 1
52 1 12 LEU MD2 1 46 VAL MG2 4.770 . 4.770 4.199 3.512 4.777 0.007 20 0 "[ . 1 . 2]" 1
53 1 12 LEU MD2 1 47 SER H 5.410 . 5.410 4.794 4.500 5.479 0.069 15 0 "[ . 1 . 2]" 1
54 1 13 ASN H 1 13 ASN HD21 3.930 . 3.930 2.262 1.789 3.807 0.011 12 0 "[ . 1 . 2]" 1
55 1 13 ASN H 1 14 ARG H 3.710 . 3.710 2.616 2.505 2.694 . 0 0 "[ . 1 . 2]" 1
56 1 13 ASN HD21 1 46 VAL MG1 4.020 . 4.020 2.719 2.047 4.100 0.080 13 0 "[ . 1 . 2]" 1
57 1 13 ASN HD22 1 46 VAL MG1 4.490 . 4.490 2.151 1.749 3.093 0.051 12 0 "[ . 1 . 2]" 1
58 1 13 ASN HD22 1 46 VAL MG2 5.050 . 5.050 4.416 3.248 4.817 . 0 0 "[ . 1 . 2]" 1
59 1 14 ARG H 1 15 MET H 3.840 . 3.840 2.662 2.516 2.868 . 0 0 "[ . 1 . 2]" 1
60 1 14 ARG H 1 16 GLN H 4.850 . 4.850 4.352 4.129 4.512 . 0 0 "[ . 1 . 2]" 1
61 1 14 ARG H 1 17 TYR H 4.720 . 4.720 4.784 4.333 4.913 0.193 14 0 "[ . 1 . 2]" 1
62 1 15 MET H 1 16 GLN H 3.290 . 3.290 2.593 2.448 2.707 . 0 0 "[ . 1 . 2]" 1
63 1 15 MET H 1 17 TYR H 4.190 . 4.190 4.086 3.635 4.268 0.078 13 0 "[ . 1 . 2]" 1
64 1 15 MET H 1 18 GLU H 4.660 . 4.660 4.714 4.537 4.901 0.241 6 0 "[ . 1 . 2]" 1
65 1 15 MET H 1 19 VAL MG2 5.740 . 5.740 5.585 5.188 5.847 0.107 3 0 "[ . 1 . 2]" 1
66 1 16 GLN H 1 17 TYR H 3.510 . 3.510 2.699 2.478 2.815 . 0 0 "[ . 1 . 2]" 1
67 1 16 GLN H 1 18 GLU H 4.520 . 4.520 4.224 4.025 4.480 . 0 0 "[ . 1 . 2]" 1
68 1 16 GLN H 1 19 VAL H 4.830 . 4.830 4.750 4.590 4.971 0.141 18 0 "[ . 1 . 2]" 1
69 1 16 GLN H 1 19 VAL MG2 4.840 . 4.840 4.452 4.048 4.765 . 0 0 "[ . 1 . 2]" 1
70 1 16 GLN H 1 46 VAL MG1 5.090 . 5.090 4.947 4.379 5.314 0.224 4 0 "[ . 1 . 2]" 1
71 1 16 GLN QE 1 45 ILE MD 3.420 . 3.420 2.353 1.830 3.497 0.077 11 0 "[ . 1 . 2]" 1
72 1 16 GLN QE 1 46 VAL H 3.880 . 3.880 2.874 2.077 3.481 . 0 0 "[ . 1 . 2]" 1
73 1 16 GLN HE21 1 45 ILE MD 4.110 . 4.110 2.651 1.871 4.144 0.034 1 0 "[ . 1 . 2]" 1
74 1 16 GLN HE21 1 46 VAL H 4.620 . 4.620 4.245 2.705 4.810 0.190 17 0 "[ . 1 . 2]" 1
75 1 16 GLN HE21 1 46 VAL MG1 4.600 . 4.600 3.622 1.692 4.620 0.108 1 0 "[ . 1 . 2]" 1
76 1 16 GLN HE22 1 45 ILE MD 4.110 . 4.110 2.862 1.870 4.149 0.039 6 0 "[ . 1 . 2]" 1
77 1 16 GLN HE22 1 46 VAL H 4.620 . 4.620 3.024 2.090 3.807 . 0 0 "[ . 1 . 2]" 1
78 1 16 GLN HE22 1 46 VAL MG1 4.600 . 4.600 2.989 1.883 4.126 . 0 0 "[ . 1 . 2]" 1
79 1 17 TYR H 1 18 GLU H 3.350 . 3.350 2.763 2.052 2.970 . 0 0 "[ . 1 . 2]" 1
80 1 17 TYR H 1 19 VAL H 3.940 . 3.940 4.013 3.394 4.173 0.233 8 0 "[ . 1 . 2]" 1
81 1 17 TYR H 1 20 THR H 5.100 . 5.100 4.930 4.637 5.119 0.019 18 0 "[ . 1 . 2]" 1
82 1 17 TYR H 1 46 VAL MG1 4.950 . 4.950 4.819 3.664 5.210 0.260 8 0 "[ . 1 . 2]" 1
83 1 18 GLU H 1 19 VAL H 3.380 . 3.380 2.650 2.497 2.810 . 0 0 "[ . 1 . 2]" 1
84 1 18 GLU H 1 19 VAL MG2 4.960 . 4.960 4.254 3.918 4.592 . 0 0 "[ . 1 . 2]" 1
85 1 18 GLU H 1 20 THR H 4.650 . 4.650 4.656 4.380 4.828 0.178 20 0 "[ . 1 . 2]" 1
86 1 19 VAL H 1 19 VAL MG1 3.800 . 3.800 3.777 3.706 3.842 0.042 1 0 "[ . 1 . 2]" 1
87 1 19 VAL H 1 19 VAL MG2 2.820 . 2.820 2.448 2.153 2.733 . 0 0 "[ . 1 . 2]" 1
88 1 19 VAL H 1 20 THR H 3.750 . 3.750 2.748 2.543 2.894 . 0 0 "[ . 1 . 2]" 1
89 1 19 VAL H 1 21 GLN H 3.710 . 3.710 3.824 3.756 3.888 0.178 2 0 "[ . 1 . 2]" 1
90 1 19 VAL MG1 1 20 THR H 3.690 . 3.690 2.893 2.542 3.444 . 0 0 "[ . 1 . 2]" 1
91 1 19 VAL MG1 1 22 ASN H 5.130 . 5.130 4.858 4.446 5.317 0.187 7 0 "[ . 1 . 2]" 1
92 1 19 VAL MG1 1 23 ASN H 4.290 . 4.290 4.356 3.906 4.560 0.270 7 0 "[ . 1 . 2]" 1
93 1 19 VAL MG1 1 24 GLY H 3.800 . 3.800 3.130 2.075 3.886 0.086 7 0 "[ . 1 . 2]" 1
94 1 19 VAL MG1 1 25 THR H 4.870 . 4.870 4.244 3.795 4.912 0.042 1 0 "[ . 1 . 2]" 1
95 1 19 VAL MG1 1 26 GLU H 4.380 . 4.380 3.901 3.170 4.487 0.107 1 0 "[ . 1 . 2]" 1
96 1 19 VAL MG1 1 117 ASN H 4.480 . 4.480 4.598 4.471 4.704 0.224 10 0 "[ . 1 . 2]" 1
97 1 19 VAL MG1 1 117 ASN HD21 4.230 . 4.230 3.772 2.349 4.395 0.165 13 0 "[ . 1 . 2]" 1
98 1 19 VAL MG1 1 117 ASN HD22 4.230 . 4.230 3.793 2.868 4.281 0.051 13 0 "[ . 1 . 2]" 1
99 1 19 VAL MG1 1 119 ALA H 4.200 . 4.200 3.265 2.814 4.345 0.145 1 0 "[ . 1 . 2]" 1
100 1 19 VAL MG1 1 120 ALA H 4.090 . 4.090 3.944 3.470 4.241 0.151 16 0 "[ . 1 . 2]" 1
101 1 19 VAL MG2 1 20 THR H 3.890 . 3.890 3.876 3.653 4.017 0.127 2 0 "[ . 1 . 2]" 1
102 1 19 VAL MG2 1 24 GLY H 4.380 . 4.380 4.335 3.784 4.570 0.190 11 0 "[ . 1 . 2]" 1
103 1 19 VAL MG2 1 25 THR H 4.860 . 4.860 4.430 3.395 5.019 0.159 19 0 "[ . 1 . 2]" 1
104 1 19 VAL MG2 1 26 GLU H 3.750 . 3.750 3.681 3.070 3.947 0.197 5 0 "[ . 1 . 2]" 1
105 1 19 VAL MG2 1 64 TRP HE1 5.570 . 5.570 5.307 4.716 5.654 0.084 2 0 "[ . 1 . 2]" 1
106 1 19 VAL MG2 1 120 ALA H 4.860 . 4.860 4.846 4.049 5.065 0.205 11 0 "[ . 1 . 2]" 1
107 1 20 THR H 1 21 GLN H 4.040 . 4.040 2.794 2.664 2.967 . 0 0 "[ . 1 . 2]" 1
108 1 20 THR H 1 22 ASN H 4.770 . 4.770 4.452 4.258 4.663 . 0 0 "[ . 1 . 2]" 1
109 1 20 THR H 1 23 ASN H 4.770 . 4.770 4.733 4.490 4.881 0.111 20 0 "[ . 1 . 2]" 1
110 1 21 GLN H 1 22 ASN H 3.310 . 3.310 2.519 2.358 2.744 . 0 0 "[ . 1 . 2]" 1
111 1 21 GLN H 1 23 ASN H 3.710 . 3.710 3.657 3.424 3.839 0.129 10 0 "[ . 1 . 2]" 1
112 1 21 GLN H 1 24 GLY H 4.800 . 4.800 4.855 4.610 4.962 0.162 2 0 "[ . 1 . 2]" 1
113 1 22 ASN H 1 22 ASN QD 4.640 . 4.640 4.294 2.435 4.709 0.069 1 0 "[ . 1 . 2]" 1
114 1 22 ASN H 1 23 ASN H 3.470 . 3.470 2.143 1.744 2.277 0.056 17 0 "[ . 1 . 2]" 1
115 1 22 ASN H 1 24 GLY H 3.720 . 3.720 3.342 3.088 3.643 . 0 0 "[ . 1 . 2]" 1
116 1 22 ASN QD 1 23 ASN H 5.390 . 5.390 4.663 4.006 5.402 0.012 1 0 "[ . 1 . 2]" 1
117 1 22 ASN QD 1 24 GLY H 5.270 . 5.270 3.814 2.583 5.220 . 0 0 "[ . 1 . 2]" 1
118 1 22 ASN HD21 1 24 GLY H 6.000 . 6.000 4.065 2.603 5.713 . 0 0 "[ . 1 . 2]" 1
119 1 22 ASN HD22 1 24 GLY H 6.000 . 6.000 5.096 3.495 6.041 0.041 3 0 "[ . 1 . 2]" 1
120 1 23 ASN H 1 24 GLY H 3.400 . 3.400 2.654 2.440 3.137 . 0 0 "[ . 1 . 2]" 1
121 1 24 GLY H 1 25 THR H 4.760 . 4.760 4.506 4.452 4.602 . 0 0 "[ . 1 . 2]" 1
122 1 25 THR H 1 26 GLU H 4.490 . 4.490 4.398 4.212 4.563 0.073 12 0 "[ . 1 . 2]" 1
123 1 26 GLU H 1 64 TRP HE1 4.950 . 4.950 4.563 3.204 5.120 0.170 18 0 "[ . 1 . 2]" 1
124 1 29 PHE H 1 30 GLN H 4.450 . 4.450 2.681 1.904 4.538 0.088 11 0 "[ . 1 . 2]" 1
125 1 29 PHE H 1 31 ASN H 4.680 . 4.680 4.342 2.670 4.963 0.283 1 0 "[ . 1 . 2]" 1
126 1 30 GLN H 1 31 ASN H 3.630 . 3.630 2.865 2.320 3.903 0.273 1 0 "[ . 1 . 2]" 1
127 1 30 GLN H 1 34 TRP HE1 4.740 . 4.740 4.239 2.743 4.893 0.153 13 0 "[ . 1 . 2]" 1
128 1 31 ASN H 1 32 GLU H 4.600 . 4.600 4.426 4.228 4.649 0.049 20 0 "[ . 1 . 2]" 1
129 1 31 ASN H 1 34 TRP H 5.030 . 5.030 4.570 3.057 5.328 0.298 6 0 "[ . 1 . 2]" 1
130 1 31 ASN H 1 34 TRP HE1 4.360 . 4.360 3.636 1.957 4.506 0.146 7 0 "[ . 1 . 2]" 1
131 1 32 GLU H 1 33 TYR H 4.340 . 4.340 2.642 2.237 3.042 . 0 0 "[ . 1 . 2]" 1
132 1 32 GLU H 1 34 TRP H 4.550 . 4.550 4.044 2.995 4.791 0.241 14 0 "[ . 1 . 2]" 1
133 1 33 TYR H 1 34 TRP H 4.130 . 4.130 2.457 2.054 2.902 . 0 0 "[ . 1 . 2]" 1
134 1 33 TYR H 1 36 HIS H 6.000 . 6.000 5.506 4.761 6.298 0.298 6 0 "[ . 1 . 2]" 1
135 1 34 TRP H 1 35 ASP H 4.210 . 4.210 2.583 1.906 3.131 . 0 0 "[ . 1 . 2]" 1
136 1 34 TRP H 1 36 HIS H 4.670 . 4.670 4.396 3.473 4.857 0.187 19 0 "[ . 1 . 2]" 1
137 1 35 ASP H 1 36 HIS H 3.790 . 3.790 2.570 2.246 3.068 . 0 0 "[ . 1 . 2]" 1
138 1 37 LYS H 1 38 GLU H 3.780 . 3.780 2.784 2.085 3.328 . 0 0 "[ . 1 . 2]" 1
139 1 39 GLU H 1 40 GLY H 4.740 . 4.740 4.536 4.162 4.658 . 0 0 "[ . 1 . 2]" 1
140 1 40 GLY H 1 41 LEU H 4.500 . 4.500 4.072 2.379 4.461 . 0 0 "[ . 1 . 2]" 1
141 1 40 GLY H 1 54 SER H . . 4.000 3.633 3.238 4.179 0.179 15 0 "[ . 1 . 2]" 1
142 1 40 GLY H 1 55 LYS H 4.980 . 4.980 3.833 2.330 4.912 . 0 0 "[ . 1 . 2]" 1
143 1 41 LEU H 1 41 LEU MD1 4.220 . 4.220 4.155 3.807 4.294 0.074 14 0 "[ . 1 . 2]" 1
144 1 41 LEU H 1 41 LEU MD2 4.290 . 4.290 4.108 3.836 4.381 0.091 10 0 "[ . 1 . 2]" 1
145 1 41 LEU H 1 42 TYR H 4.820 . 4.820 4.426 4.337 4.545 . 0 0 "[ . 1 . 2]" 1
146 1 41 LEU H 1 43 VAL MG1 5.410 . 5.410 4.636 4.179 5.098 . 0 0 "[ . 1 . 2]" 1
147 1 41 LEU H 1 124 VAL H 3.030 . 3.030 2.799 2.199 3.145 0.115 14 0 "[ . 1 . 2]" 1
148 1 41 LEU H 1 124 VAL MG1 4.950 . 4.950 4.463 4.001 4.674 . 0 0 "[ . 1 . 2]" 1
149 1 41 LEU H 1 124 VAL MG2 4.560 . 4.560 4.317 3.795 4.654 0.094 5 0 "[ . 1 . 2]" 1
150 1 41 LEU H 1 126 LYS H 5.200 . 5.200 5.065 4.582 5.341 0.141 9 0 "[ . 1 . 2]" 1
151 1 41 LEU H 1 129 LEU MD1 3.520 . 3.520 3.014 2.410 3.479 . 0 0 "[ . 1 . 2]" 1
152 1 41 LEU H 1 129 LEU MD2 3.920 . 3.920 3.188 2.335 3.773 . 0 0 "[ . 1 . 2]" 1
153 1 41 LEU MD1 1 42 TYR H 4.450 . 4.450 4.490 4.122 4.727 0.277 2 0 "[ . 1 . 2]" 1
154 1 41 LEU MD1 1 43 VAL MG1 3.470 . 3.470 2.956 2.513 3.287 . 0 0 "[ . 1 . 2]" 1
155 1 41 LEU MD1 1 43 VAL MG2 5.330 . 5.330 4.937 4.448 5.356 0.026 6 0 "[ . 1 . 2]" 1
156 1 41 LEU MD1 1 51 LEU H 5.280 . 5.280 4.666 4.022 5.234 . 0 0 "[ . 1 . 2]" 1
157 1 41 LEU MD1 1 52 PHE H 5.520 . 5.520 5.139 4.547 5.414 . 0 0 "[ . 1 . 2]" 1
158 1 41 LEU MD1 1 71 ILE MD . . 4.000 3.648 3.217 4.114 0.114 20 0 "[ . 1 . 2]" 1
159 1 41 LEU MD1 1 124 VAL H 5.440 . 5.440 5.482 5.337 5.649 0.209 20 0 "[ . 1 . 2]" 1
160 1 41 LEU MD1 1 124 VAL MG1 4.910 . 4.910 4.483 3.730 4.948 0.038 11 0 "[ . 1 . 2]" 1
161 1 41 LEU MD1 1 124 VAL MG2 4.790 . 4.790 4.499 4.056 4.883 0.093 11 0 "[ . 1 . 2]" 1
162 1 41 LEU MD1 1 129 LEU MD1 3.120 . 3.120 2.635 2.224 3.306 0.186 3 0 "[ . 1 . 2]" 1
163 1 41 LEU MD1 1 129 LEU MD2 3.060 . 3.060 2.028 1.783 2.684 0.017 9 0 "[ . 1 . 2]" 1
164 1 41 LEU MD1 1 137 TYR H 4.630 . 4.630 3.769 2.314 4.707 0.077 17 0 "[ . 1 . 2]" 1
165 1 41 LEU MD1 1 138 LEU MD1 3.570 . 3.570 3.767 3.524 4.152 0.582 12 1 "[ . 1 + . 2]" 1
166 1 41 LEU MD1 1 140 LEU H 5.870 . 5.870 5.072 3.674 6.195 0.325 10 0 "[ . 1 . 2]" 1
167 1 41 LEU MD1 1 140 LEU MD1 . . 4.000 3.631 2.596 4.244 0.244 10 0 "[ . 1 . 2]" 1
168 1 41 LEU MD1 1 141 PHE H 5.770 . 5.770 4.771 3.047 6.248 0.478 8 0 "[ . 1 . 2]" 1
169 1 41 LEU MD2 1 42 TYR H 3.140 . 3.140 3.106 2.795 3.305 0.165 5 0 "[ . 1 . 2]" 1
170 1 41 LEU MD2 1 43 VAL MG1 4.030 . 4.030 3.782 3.184 4.063 0.033 14 0 "[ . 1 . 2]" 1
171 1 41 LEU MD2 1 51 LEU H . . 4.500 4.119 3.059 4.566 0.066 6 0 "[ . 1 . 2]" 1
172 1 41 LEU MD2 1 52 PHE H 3.930 . 3.930 3.692 2.788 4.032 0.102 17 0 "[ . 1 . 2]" 1
173 1 41 LEU MD2 1 54 SER H 3.680 . 3.680 3.350 2.464 3.756 0.076 4 0 "[ . 1 . 2]" 1
174 1 41 LEU MD2 1 71 ILE MD 3.720 . 3.720 2.672 2.105 3.449 . 0 0 "[ . 1 . 2]" 1
175 1 41 LEU MD2 1 129 LEU MD1 3.910 . 3.910 3.737 3.378 4.014 0.104 9 0 "[ . 1 . 2]" 1
176 1 41 LEU MD2 1 129 LEU MD2 4.380 . 4.380 4.141 3.710 4.510 0.130 2 0 "[ . 1 . 2]" 1
177 1 41 LEU MD2 1 138 LEU MD1 5.190 . 5.190 5.066 4.754 5.420 0.230 2 0 "[ . 1 . 2]" 1
178 1 41 LEU MD2 1 140 LEU MD1 . . 4.000 3.785 2.271 4.235 0.235 10 0 "[ . 1 . 2]" 1
179 1 42 TYR H 1 43 VAL MG1 3.730 . 3.730 3.633 3.135 3.845 0.115 2 0 "[ . 1 . 2]" 1
180 1 42 TYR H 1 51 LEU H 4.660 . 4.660 4.159 3.861 4.481 . 0 0 "[ . 1 . 2]" 1
181 1 42 TYR H 1 52 PHE H 3.660 . 3.660 3.347 2.997 3.609 . 0 0 "[ . 1 . 2]" 1
182 1 42 TYR H 1 54 SER H 4.440 . 4.440 3.906 3.287 4.667 0.227 17 0 "[ . 1 . 2]" 1
183 1 42 TYR H 1 71 ILE MD 5.650 . 5.650 4.961 4.222 5.678 0.028 10 0 "[ . 1 . 2]" 1
184 1 42 TYR H 1 124 VAL H 5.270 . 5.270 4.923 4.477 5.168 . 0 0 "[ . 1 . 2]" 1
185 1 42 TYR H 1 124 VAL MG2 5.690 . 5.690 5.319 4.547 5.727 0.037 9 0 "[ . 1 . 2]" 1
186 1 43 VAL H 1 43 VAL MG1 2.910 . 2.910 2.843 2.734 2.957 0.047 19 0 "[ . 1 . 2]" 1
187 1 43 VAL H 1 43 VAL MG2 2.940 . 2.940 2.381 2.231 2.726 . 0 0 "[ . 1 . 2]" 1
188 1 43 VAL H 1 44 ASP H 4.600 . 4.600 4.449 4.351 4.543 . 0 0 "[ . 1 . 2]" 1
189 1 43 VAL H 1 51 LEU H 5.460 . 5.460 4.925 4.642 5.416 . 0 0 "[ . 1 . 2]" 1
190 1 43 VAL H 1 121 LEU MD1 5.220 . 5.220 5.144 4.481 5.410 0.190 20 0 "[ . 1 . 2]" 1
191 1 43 VAL H 1 121 LEU MD2 4.920 . 4.920 3.762 3.056 4.310 . 0 0 "[ . 1 . 2]" 1
192 1 43 VAL H 1 122 ARG H 3.000 . 3.000 2.542 2.152 3.082 0.082 20 0 "[ . 1 . 2]" 1
193 1 43 VAL H 1 124 VAL H 4.960 . 4.960 4.721 4.339 5.045 0.085 15 0 "[ . 1 . 2]" 1
194 1 43 VAL H 1 124 VAL MG2 3.970 . 3.970 3.594 3.145 4.007 0.037 20 0 "[ . 1 . 2]" 1
195 1 43 VAL MG1 1 44 ASP H 4.070 . 4.070 3.944 3.786 4.146 0.076 15 0 "[ . 1 . 2]" 1
196 1 43 VAL MG1 1 49 LYS H 5.090 . 5.090 4.415 3.981 4.840 . 0 0 "[ . 1 . 2]" 1
197 1 43 VAL MG1 1 51 LEU H 3.670 . 3.670 2.995 2.606 3.346 . 0 0 "[ . 1 . 2]" 1
198 1 43 VAL MG1 1 52 PHE H 4.120 . 4.120 4.259 3.973 4.442 0.322 14 0 "[ . 1 . 2]" 1
199 1 43 VAL MG1 1 71 ILE MD 4.640 . 4.640 4.511 4.185 4.764 0.124 10 0 "[ . 1 . 2]" 1
200 1 43 VAL MG1 1 124 VAL H 4.460 . 4.460 4.181 3.759 4.517 0.057 15 0 "[ . 1 . 2]" 1
201 1 43 VAL MG1 1 124 VAL MG1 4.370 . 4.370 4.135 3.598 4.409 0.039 2 0 "[ . 1 . 2]" 1
202 1 43 VAL MG1 1 124 VAL MG2 2.880 . 2.880 2.632 2.222 2.944 0.064 12 0 "[ . 1 . 2]" 1
203 1 43 VAL MG1 1 129 LEU MD1 6.000 . 6.000 4.988 4.494 5.862 . 0 0 "[ . 1 . 2]" 1
204 1 43 VAL MG1 1 129 LEU MD2 4.120 . 4.120 3.536 3.005 4.077 . 0 0 "[ . 1 . 2]" 1
205 1 43 VAL MG2 1 44 ASP H 3.620 . 3.620 3.422 3.136 3.664 0.044 15 0 "[ . 1 . 2]" 1
206 1 43 VAL MG2 1 45 ILE H 4.120 . 4.120 3.822 3.341 4.069 . 0 0 "[ . 1 . 2]" 1
207 1 43 VAL MG2 1 45 ILE MD 4.960 . 4.960 4.897 4.240 5.234 0.274 5 0 "[ . 1 . 2]" 1
208 1 43 VAL MG2 1 48 GLY H 4.420 . 4.420 4.051 3.602 4.437 0.017 19 0 "[ . 1 . 2]" 1
209 1 43 VAL MG2 1 49 LYS H 4.130 . 4.130 3.987 3.605 4.238 0.108 2 0 "[ . 1 . 2]" 1
210 1 43 VAL MG2 1 51 LEU H 5.200 . 5.200 5.217 4.999 5.336 0.136 2 0 "[ . 1 . 2]" 1
211 1 43 VAL MG2 1 122 ARG H 3.410 . 3.410 3.240 2.885 3.455 0.045 2 0 "[ . 1 . 2]" 1
212 1 43 VAL MG2 1 123 PHE H 5.100 . 5.100 5.028 4.560 5.315 0.215 5 0 "[ . 1 . 2]" 1
213 1 43 VAL MG2 1 124 VAL MG2 3.110 . 3.110 2.131 1.923 2.493 . 0 0 "[ . 1 . 2]" 1
214 1 44 ASP H 1 45 ILE H 4.880 . 4.880 4.359 4.140 4.551 . 0 0 "[ . 1 . 2]" 1
215 1 44 ASP H 1 46 VAL H 5.550 . 5.550 5.486 5.318 5.675 0.125 17 0 "[ . 1 . 2]" 1
216 1 44 ASP H 1 46 VAL MG2 4.680 . 4.680 4.770 4.596 5.030 0.350 6 0 "[ . 1 . 2]" 1
217 1 44 ASP H 1 48 GLY H 4.740 . 4.740 4.474 3.956 4.822 0.082 18 0 "[ . 1 . 2]" 1
218 1 44 ASP H 1 49 LYS H 3.880 . 3.880 3.162 2.852 3.803 . 0 0 "[ . 1 . 2]" 1
219 1 44 ASP H 1 51 LEU H 4.870 . 4.870 4.539 4.209 4.868 . 0 0 "[ . 1 . 2]" 1
220 1 44 ASP H 1 51 LEU MD1 3.390 . 3.390 2.734 2.250 3.320 . 0 0 "[ . 1 . 2]" 1
221 1 44 ASP H 1 51 LEU MD2 4.420 . 4.420 3.342 2.696 3.795 . 0 0 "[ . 1 . 2]" 1
222 1 44 ASP H 1 99 LEU QD 5.790 . 5.790 4.385 3.928 4.842 . 0 0 "[ . 1 . 2]" 1
223 1 44 ASP H 1 121 LEU MD2 4.750 . 4.750 4.115 3.545 4.724 . 0 0 "[ . 1 . 2]" 1
224 1 44 ASP H 1 122 ARG H 5.170 . 5.170 5.178 4.981 5.380 0.210 1 0 "[ . 1 . 2]" 1
225 1 45 ILE H 1 45 ILE MD 4.190 . 4.190 3.513 3.328 3.610 . 0 0 "[ . 1 . 2]" 1
226 1 45 ILE H 1 46 VAL H 3.830 . 3.830 2.850 2.581 3.003 . 0 0 "[ . 1 . 2]" 1
227 1 45 ILE H 1 46 VAL MG1 5.760 . 5.760 4.306 3.675 4.853 . 0 0 "[ . 1 . 2]" 1
228 1 45 ILE H 1 46 VAL MG2 4.000 . 4.000 3.906 3.570 4.108 0.108 18 0 "[ . 1 . 2]" 1
229 1 45 ILE H 1 47 SER H 4.780 . 4.780 4.660 4.512 4.860 0.080 12 0 "[ . 1 . 2]" 1
230 1 45 ILE H 1 48 GLY H 5.020 . 5.020 4.777 4.481 5.040 0.020 5 0 "[ . 1 . 2]" 1
231 1 45 ILE H 1 121 LEU MD2 4.670 . 4.670 4.263 3.735 4.711 0.041 12 0 "[ . 1 . 2]" 1
232 1 45 ILE H 1 122 ARG H 4.240 . 4.240 4.181 3.613 4.447 0.207 15 0 "[ . 1 . 2]" 1
233 1 45 ILE MD 1 46 VAL H 4.690 . 4.690 4.729 4.635 4.826 0.136 11 0 "[ . 1 . 2]" 1
234 1 45 ILE MD 1 121 LEU H 4.890 . 4.890 3.809 2.734 4.920 0.030 2 0 "[ . 1 . 2]" 1
235 1 45 ILE MD 1 122 ARG H 4.710 . 4.710 4.296 3.745 4.710 . 0 0 "[ . 1 . 2]" 1
236 1 46 VAL H 1 46 VAL MG1 3.060 . 3.060 2.305 2.005 2.637 . 0 0 "[ . 1 . 2]" 1
237 1 46 VAL H 1 46 VAL MG2 3.330 . 3.330 2.020 1.796 2.242 0.004 14 0 "[ . 1 . 2]" 1
238 1 46 VAL H 1 47 SER H 4.000 . 4.000 2.844 2.556 3.033 . 0 0 "[ . 1 . 2]" 1
239 1 46 VAL H 1 48 GLY H 3.940 . 3.940 3.921 3.661 4.112 0.172 3 0 "[ . 1 . 2]" 1
240 1 46 VAL H 1 49 LYS H 6.000 . 6.000 5.666 5.096 6.058 0.058 7 0 "[ . 1 . 2]" 1
241 1 46 VAL MG1 1 47 SER H 4.170 . 4.170 4.126 3.919 4.308 0.138 17 0 "[ . 1 . 2]" 1
242 1 46 VAL MG1 1 48 GLY H 5.430 . 5.430 5.399 5.174 5.557 0.127 7 0 "[ . 1 . 2]" 1
243 1 46 VAL MG2 1 47 SER H 3.700 . 3.700 2.277 1.832 2.570 . 0 0 "[ . 1 . 2]" 1
244 1 46 VAL MG2 1 48 GLY H 3.790 . 3.790 3.714 3.292 3.894 0.104 4 0 "[ . 1 . 2]" 1
245 1 46 VAL MG2 1 49 LYS H 4.800 . 4.800 4.595 3.948 5.040 0.240 9 0 "[ . 1 . 2]" 1
246 1 46 VAL MG2 1 51 LEU MD1 4.670 . 4.670 4.712 4.387 4.960 0.290 18 0 "[ . 1 . 2]" 1
247 1 46 VAL MG2 1 97 SER H 5.960 . 5.960 5.426 4.078 6.325 0.365 20 0 "[ . 1 . 2]" 1
248 1 46 VAL MG2 1 98 HIS H 4.840 . 4.840 4.335 2.431 4.992 0.152 7 0 "[ . 1 . 2]" 1
249 1 46 VAL MG2 1 99 LEU QD 4.670 . 4.670 4.120 2.950 4.853 0.183 3 0 "[ . 1 . 2]" 1
250 1 47 SER H 1 48 GLY H 3.590 . 3.590 1.866 1.700 2.295 0.100 13 0 "[ . 1 . 2]" 1
251 1 47 SER H 1 49 LYS H 4.090 . 4.090 3.694 3.185 4.008 . 0 0 "[ . 1 . 2]" 1
252 1 47 SER HG 1 49 LYS H 4.700 . 4.700 4.223 3.216 4.766 0.066 17 0 "[ . 1 . 2]" 1
253 1 48 GLY H 1 49 LYS H 3.670 . 3.670 2.610 2.173 2.973 . 0 0 "[ . 1 . 2]" 1
254 1 49 LYS H 1 51 LEU MD1 5.730 . 5.730 5.050 4.520 5.481 . 0 0 "[ . 1 . 2]" 1
255 1 49 LYS H 1 51 LEU MD2 5.270 . 5.270 4.412 3.973 4.914 . 0 0 "[ . 1 . 2]" 1
256 1 51 LEU H 1 51 LEU MD1 4.370 . 4.370 3.995 3.888 4.132 . 0 0 "[ . 1 . 2]" 1
257 1 51 LEU H 1 51 LEU MD2 3.860 . 3.860 3.389 3.144 3.586 . 0 0 "[ . 1 . 2]" 1
258 1 51 LEU H 1 52 PHE H 3.220 . 3.220 2.078 1.871 2.328 . 0 0 "[ . 1 . 2]" 1
259 1 51 LEU H 1 71 ILE MD 3.600 . 3.600 3.277 2.879 3.632 0.032 10 0 "[ . 1 . 2]" 1
260 1 51 LEU MD1 1 52 PHE H 4.800 . 4.800 4.624 4.345 4.906 0.106 16 0 "[ . 1 . 2]" 1
261 1 51 LEU MD1 1 75 VAL MG2 3.980 . 3.980 3.686 3.258 4.050 0.070 12 0 "[ . 1 . 2]" 1
262 1 51 LEU MD1 1 99 LEU H 5.780 . 5.780 4.906 4.361 5.684 . 0 0 "[ . 1 . 2]" 1
263 1 51 LEU MD1 1 99 LEU QD 2.760 . 2.760 2.024 1.788 2.696 0.012 9 0 "[ . 1 . 2]" 1
264 1 51 LEU MD1 1 116 ILE MD 4.510 . 4.510 3.678 2.797 4.536 0.026 3 0 "[ . 1 . 2]" 1
265 1 51 LEU MD1 1 121 LEU MD1 4.660 . 4.660 4.092 3.458 4.716 0.056 16 0 "[ . 1 . 2]" 1
266 1 51 LEU MD1 1 121 LEU MD2 3.240 . 3.240 2.251 1.943 2.762 . 0 0 "[ . 1 . 2]" 1
267 1 51 LEU MD2 1 52 PHE H 4.740 . 4.740 4.537 4.427 4.688 . 0 0 "[ . 1 . 2]" 1
268 1 51 LEU MD2 1 71 ILE H 5.020 . 5.020 4.855 4.169 5.332 0.312 3 0 "[ . 1 . 2]" 1
269 1 51 LEU MD2 1 71 ILE MD 4.350 . 4.350 4.448 4.227 4.590 0.240 20 0 "[ . 1 . 2]" 1
270 1 51 LEU MD2 1 74 GLU H 4.720 . 4.720 4.654 4.257 4.978 0.258 16 0 "[ . 1 . 2]" 1
271 1 51 LEU MD2 1 75 VAL H 5.650 . 5.650 4.603 3.946 4.994 . 0 0 "[ . 1 . 2]" 1
272 1 51 LEU MD2 1 75 VAL MG1 4.740 . 4.740 4.299 3.592 4.734 . 0 0 "[ . 1 . 2]" 1
273 1 51 LEU MD2 1 75 VAL MG2 2.920 . 2.920 2.348 1.873 2.739 . 0 0 "[ . 1 . 2]" 1
274 1 51 LEU MD2 1 99 LEU QD 2.520 . 2.520 1.953 1.713 2.164 0.087 18 0 "[ . 1 . 2]" 1
275 1 51 LEU MD2 1 121 LEU MD2 5.510 . 5.510 4.531 4.148 5.015 . 0 0 "[ . 1 . 2]" 1
276 1 52 PHE H 1 71 ILE H 5.080 . 5.080 4.896 4.506 5.172 0.092 1 0 "[ . 1 . 2]" 1
277 1 52 PHE H 1 71 ILE MD 3.540 . 3.540 3.149 2.568 3.576 0.036 10 0 "[ . 1 . 2]" 1
278 1 53 THR H 1 71 ILE MD 4.740 . 4.740 4.027 3.439 4.707 . 0 0 "[ . 1 . 2]" 1
279 1 54 SER H 1 55 LYS H 3.780 . 3.780 2.574 2.378 2.775 . 0 0 "[ . 1 . 2]" 1
280 1 54 SER H 1 56 ASP H 4.460 . 4.460 4.335 4.038 4.591 0.131 18 0 "[ . 1 . 2]" 1
281 1 54 SER H 1 57 LYS H 5.600 . 5.600 5.362 4.905 5.754 0.154 9 0 "[ . 1 . 2]" 1
282 1 54 SER HG 1 55 LYS H 4.500 . 4.500 4.175 2.471 4.658 0.158 17 0 "[ . 1 . 2]" 1
283 1 54 SER HG 1 56 ASP H 5.660 . 5.660 5.373 4.659 5.684 0.024 13 0 "[ . 1 . 2]" 1
284 1 54 SER HG 1 57 LYS H 4.500 . 4.500 4.500 4.178 4.793 0.293 11 0 "[ . 1 . 2]" 1
285 1 55 LYS H 1 56 ASP H 3.780 . 3.780 2.727 2.536 2.986 . 0 0 "[ . 1 . 2]" 1
286 1 55 LYS H 1 57 LYS H 4.280 . 4.280 4.209 3.815 4.423 0.143 9 0 "[ . 1 . 2]" 1
287 1 56 ASP H 1 57 LYS H 3.570 . 3.570 2.577 2.217 2.960 . 0 0 "[ . 1 . 2]" 1
288 1 63 GLY H 1 64 TRP H 4.270 . 4.270 3.421 2.397 4.306 0.036 18 0 "[ . 1 . 2]" 1
289 1 67 PHE H 1 114 TYR H 3.700 . 3.700 3.406 2.830 3.865 0.165 1 0 "[ . 1 . 2]" 1
290 1 68 THR H 1 69 LYS H 3.170 . 3.170 2.371 2.138 2.738 . 0 0 "[ . 1 . 2]" 1
291 1 71 ILE H 1 71 ILE MD 3.970 . 3.970 3.850 3.422 4.064 0.094 12 0 "[ . 1 . 2]" 1
292 1 71 ILE H 1 72 GLU H 4.680 . 4.680 4.344 4.076 4.571 . 0 0 "[ . 1 . 2]" 1
293 1 71 ILE H 1 73 GLU H 5.980 . 5.980 5.361 5.042 5.643 . 0 0 "[ . 1 . 2]" 1
294 1 71 ILE H 1 74 GLU H 6.000 . 6.000 5.416 5.063 5.978 . 0 0 "[ . 1 . 2]" 1
295 1 71 ILE H 1 75 VAL MG1 5.400 . 5.400 4.645 3.752 5.538 0.138 10 0 "[ . 1 . 2]" 1
296 1 71 ILE H 1 75 VAL MG2 3.750 . 3.750 2.991 2.361 3.772 0.022 11 0 "[ . 1 . 2]" 1
297 1 71 ILE MD 1 140 LEU MD1 3.260 . 3.260 2.167 1.764 2.664 0.036 6 0 "[ . 1 . 2]" 1
298 1 71 ILE MD 1 140 LEU MD2 4.530 . 4.530 3.799 2.469 4.772 0.242 12 0 "[ . 1 . 2]" 1
299 1 72 GLU H 1 73 GLU H 3.830 . 3.830 2.553 2.389 2.735 . 0 0 "[ . 1 . 2]" 1
300 1 73 GLU H 1 74 GLU H 2.950 . 2.950 2.662 2.346 2.883 . 0 0 "[ . 1 . 2]" 1
301 1 73 GLU H 1 75 VAL H 3.920 . 3.920 3.791 3.547 3.961 0.041 12 0 "[ . 1 . 2]" 1
302 1 73 GLU H 1 75 VAL MG2 5.040 . 5.040 4.835 4.534 5.073 0.033 5 0 "[ . 1 . 2]" 1
303 1 74 GLU H 1 75 VAL H 3.620 . 3.620 2.209 2.100 2.325 . 0 0 "[ . 1 . 2]" 1
304 1 74 GLU H 1 75 VAL MG1 5.300 . 5.300 5.439 5.238 5.549 0.249 13 0 "[ . 1 . 2]" 1
305 1 74 GLU H 1 75 VAL MG2 3.730 . 3.730 3.502 3.058 3.822 0.092 16 0 "[ . 1 . 2]" 1
306 1 75 VAL H 1 75 VAL MG1 4.020 . 4.020 3.824 3.744 3.955 . 0 0 "[ . 1 . 2]" 1
307 1 75 VAL H 1 75 VAL MG2 3.580 . 3.580 2.672 2.344 2.899 . 0 0 "[ . 1 . 2]" 1
308 1 75 VAL H 1 76 GLU H 4.760 . 4.760 4.390 4.140 4.590 . 0 0 "[ . 1 . 2]" 1
309 1 75 VAL H 1 99 LEU QD 4.930 . 4.930 4.302 4.033 4.710 . 0 0 "[ . 1 . 2]" 1
310 1 75 VAL MG1 1 76 GLU H 3.110 . 3.110 2.697 2.285 2.964 . 0 0 "[ . 1 . 2]" 1
311 1 75 VAL MG1 1 77 GLU H 4.170 . 4.170 4.052 3.770 4.349 0.179 4 0 "[ . 1 . 2]" 1
312 1 75 VAL MG1 1 90 VAL MG1 3.020 . 3.020 2.297 2.083 2.487 . 0 0 "[ . 1 . 2]" 1
313 1 75 VAL MG1 1 90 VAL MG2 4.010 . 4.010 2.985 2.777 3.130 . 0 0 "[ . 1 . 2]" 1
314 1 75 VAL MG1 1 91 ARG H 4.190 . 4.190 4.271 3.836 4.564 0.374 17 0 "[ . 1 . 2]" 1
315 1 75 VAL MG1 1 99 LEU QD 4.330 . 4.330 2.344 2.088 2.569 . 0 0 "[ . 1 . 2]" 1
316 1 75 VAL MG1 1 102 VAL MG2 5.580 . 5.580 5.112 4.414 5.699 0.119 5 0 "[ . 1 . 2]" 1
317 1 75 VAL MG2 1 76 GLU H 3.940 . 3.940 4.012 3.811 4.151 0.211 10 0 "[ . 1 . 2]" 1
318 1 75 VAL MG2 1 90 VAL MG1 4.530 . 4.530 4.172 3.928 4.389 . 0 0 "[ . 1 . 2]" 1
319 1 75 VAL MG2 1 90 VAL MG2 4.020 . 4.020 4.008 3.781 4.185 0.165 2 0 "[ . 1 . 2]" 1
320 1 75 VAL MG2 1 99 LEU QD 3.140 . 3.140 2.096 1.735 2.646 0.065 17 0 "[ . 1 . 2]" 1
321 1 76 GLU H 1 77 GLU H 4.350 . 4.350 4.271 4.068 4.396 0.046 4 0 "[ . 1 . 2]" 1
322 1 76 GLU H 1 90 VAL MG1 4.040 . 4.040 4.004 3.528 4.301 0.261 5 0 "[ . 1 . 2]" 1
323 1 76 GLU H 1 90 VAL MG2 4.920 . 4.920 4.933 4.729 5.154 0.234 5 0 "[ . 1 . 2]" 1
324 1 76 GLU H 1 91 ARG H 3.390 . 3.390 3.297 2.847 3.598 0.208 16 0 "[ . 1 . 2]" 1
325 1 76 GLU H 1 99 LEU QD 3.860 . 3.860 2.786 2.274 3.539 . 0 0 "[ . 1 . 2]" 1
326 1 77 GLU H 1 78 LYS H 4.600 . 4.600 4.524 4.332 4.635 0.035 13 0 "[ . 1 . 2]" 1
327 1 77 GLU H 1 90 VAL MG1 4.630 . 4.630 3.931 3.220 4.430 . 0 0 "[ . 1 . 2]" 1
328 1 77 GLU H 1 91 ARG H 6.000 . 6.000 5.106 4.866 5.417 . 0 0 "[ . 1 . 2]" 1
329 1 78 LYS H 1 79 LEU H 4.170 . 4.170 4.018 3.653 4.252 0.082 3 0 "[ . 1 . 2]" 1
330 1 78 LYS H 1 89 GLU H 3.210 . 3.210 3.000 2.572 3.310 0.100 5 0 "[ . 1 . 2]" 1
331 1 78 LYS H 1 90 VAL H 5.320 . 5.320 4.894 4.599 5.147 . 0 0 "[ . 1 . 2]" 1
332 1 78 LYS H 1 90 VAL MG1 4.040 . 4.040 3.869 3.593 4.149 0.109 13 0 "[ . 1 . 2]" 1
333 1 78 LYS H 1 90 VAL MG2 5.730 . 5.730 5.595 5.309 5.770 0.040 13 0 "[ . 1 . 2]" 1
334 1 78 LYS H 1 91 ARG H 4.890 . 4.890 4.456 3.841 4.905 0.015 17 0 "[ . 1 . 2]" 1
335 1 78 LYS H 1 102 VAL MG1 5.610 . 5.610 5.545 4.984 5.781 0.171 20 0 "[ . 1 . 2]" 1
336 1 78 LYS H 1 102 VAL MG2 4.830 . 4.830 4.467 3.885 4.863 0.033 6 0 "[ . 1 . 2]" 1
337 1 79 LEU H 1 79 LEU MD1 4.050 . 4.050 4.127 4.004 4.233 0.183 10 0 "[ . 1 . 2]" 1
338 1 79 LEU H 1 79 LEU MD2 4.260 . 4.260 4.317 4.264 4.358 0.098 19 0 "[ . 1 . 2]" 1
339 1 79 LEU H 1 80 ASP H 4.650 . 4.650 4.574 4.523 4.643 . 0 0 "[ . 1 . 2]" 1
340 1 79 LEU H 1 89 GLU H 4.740 . 4.740 4.800 4.395 4.957 0.217 3 0 "[ . 1 . 2]" 1
341 1 79 LEU MD1 1 80 ASP H 2.850 . 2.850 2.316 2.003 2.655 . 0 0 "[ . 1 . 2]" 1
342 1 79 LEU MD1 1 86 ILE MD 4.250 . 4.250 2.743 1.911 4.182 . 0 0 "[ . 1 . 2]" 1
343 1 79 LEU MD1 1 87 ARG H 3.040 . 3.040 2.864 2.301 3.306 0.266 9 0 "[ . 1 . 2]" 1
344 1 79 LEU MD1 1 88 THR H 4.250 . 4.250 3.979 3.248 4.421 0.171 3 0 "[ . 1 . 2]" 1
345 1 79 LEU MD1 1 89 GLU H 4.970 . 4.970 4.825 4.035 5.041 0.071 14 0 "[ . 1 . 2]" 1
346 1 79 LEU MD2 1 80 ASP H 4.470 . 4.470 4.259 4.006 4.504 0.034 4 0 "[ . 1 . 2]" 1
347 1 79 LEU MD2 1 86 ILE MD 4.790 . 4.790 2.951 1.901 4.025 . 0 0 "[ . 1 . 2]" 1
348 1 79 LEU MD2 1 87 ARG H 4.920 . 4.920 4.916 4.557 5.091 0.171 9 0 "[ . 1 . 2]" 1
349 1 80 ASP H 1 81 THR H 4.680 . 4.680 4.284 3.869 4.435 . 0 0 "[ . 1 . 2]" 1
350 1 80 ASP H 1 86 ILE MD . . 5.500 4.745 3.410 5.581 0.081 10 0 "[ . 1 . 2]" 1
351 1 80 ASP H 1 87 ARG H 3.490 . 3.490 3.192 2.798 3.522 0.032 18 0 "[ . 1 . 2]" 1
352 1 80 ASP H 1 88 THR H 4.890 . 4.890 4.771 4.389 4.959 0.069 8 0 "[ . 1 . 2]" 1
353 1 80 ASP H 1 89 GLU H 4.760 . 4.760 4.400 3.661 4.849 0.089 8 0 "[ . 1 . 2]" 1
354 1 81 THR H 1 82 SER H 4.730 . 4.730 2.710 1.752 4.238 0.048 2 0 "[ . 1 . 2]" 1
355 1 82 SER H 1 83 HIS H 4.950 . 4.950 2.694 2.497 2.996 . 0 0 "[ . 1 . 2]" 1
356 1 83 HIS H 1 84 GLY H 4.690 . 4.690 3.139 2.483 4.400 . 0 0 "[ . 1 . 2]" 1
357 1 83 HIS H 1 85 MET H 4.820 . 4.820 3.358 2.411 4.105 . 0 0 "[ . 1 . 2]" 1
358 1 84 GLY H 1 85 MET H 3.500 . 3.500 2.719 2.072 3.124 . 0 0 "[ . 1 . 2]" 1
359 1 85 MET H 1 86 ILE H 4.420 . 4.420 4.360 4.223 4.519 0.099 11 0 "[ . 1 . 2]" 1
360 1 86 ILE H 1 86 ILE MD 4.110 . 4.110 3.715 3.252 4.298 0.188 19 0 "[ . 1 . 2]" 1
361 1 86 ILE H 1 87 ARG H 4.650 . 4.650 4.462 4.312 4.611 . 0 0 "[ . 1 . 2]" 1
362 1 86 ILE MD 1 87 ARG H 4.150 . 4.150 3.446 2.220 4.319 0.169 1 0 "[ . 1 . 2]" 1
363 1 87 ARG H 1 88 THR H 4.650 . 4.650 4.230 3.740 4.350 . 0 0 "[ . 1 . 2]" 1
364 1 88 THR H 1 89 GLU H 4.590 . 4.590 4.386 4.303 4.534 . 0 0 "[ . 1 . 2]" 1
365 1 88 THR H 1 102 VAL H . . 4.000 4.074 3.904 4.280 0.280 15 0 "[ . 1 . 2]" 1
366 1 88 THR H 1 102 VAL MG1 5.840 . 5.840 5.679 5.328 6.028 0.188 12 0 "[ . 1 . 2]" 1
367 1 88 THR H 1 102 VAL MG2 4.300 . 4.300 3.422 3.047 3.997 . 0 0 "[ . 1 . 2]" 1
368 1 88 THR H 1 112 LEU QD 4.800 . 4.800 4.015 3.384 4.576 . 0 0 "[ . 1 . 2]" 1
369 1 89 GLU H 1 90 VAL H 4.550 . 4.550 4.451 4.301 4.575 0.025 20 0 "[ . 1 . 2]" 1
370 1 89 GLU H 1 90 VAL MG1 4.960 . 4.960 4.821 4.627 5.020 0.060 1 0 "[ . 1 . 2]" 1
371 1 89 GLU H 1 102 VAL H 4.550 . 4.550 4.606 4.430 4.768 0.218 16 0 "[ . 1 . 2]" 1
372 1 89 GLU H 1 102 VAL MG1 6.000 . 6.000 5.403 4.955 5.694 . 0 0 "[ . 1 . 2]" 1
373 1 89 GLU H 1 102 VAL MG2 4.020 . 4.020 3.936 3.695 4.133 0.113 8 0 "[ . 1 . 2]" 1
374 1 90 VAL H 1 90 VAL MG1 3.160 . 3.160 2.921 2.721 3.230 0.070 10 0 "[ . 1 . 2]" 1
375 1 90 VAL H 1 90 VAL MG2 2.740 . 2.740 2.070 1.960 2.316 . 0 0 "[ . 1 . 2]" 1
376 1 90 VAL H 1 91 ARG H 4.460 . 4.460 4.299 4.033 4.430 . 0 0 "[ . 1 . 2]" 1
377 1 90 VAL H 1 99 LEU QD 5.160 . 5.160 4.669 4.105 5.016 . 0 0 "[ . 1 . 2]" 1
378 1 90 VAL H 1 100 GLY H . . 4.000 3.969 3.396 4.203 0.203 19 0 "[ . 1 . 2]" 1
379 1 90 VAL H 1 101 HIS H 4.520 . 4.520 4.418 4.082 4.638 0.118 10 0 "[ . 1 . 2]" 1
380 1 90 VAL H 1 102 VAL H 4.600 . 4.600 3.880 3.563 4.541 . 0 0 "[ . 1 . 2]" 1
381 1 90 VAL H 1 102 VAL MG1 4.010 . 4.010 3.276 2.915 3.803 . 0 0 "[ . 1 . 2]" 1
382 1 90 VAL H 1 102 VAL MG2 4.410 . 4.410 3.968 3.108 4.567 0.157 10 0 "[ . 1 . 2]" 1
383 1 90 VAL H 1 116 ILE MD 5.060 . 5.060 4.591 4.354 4.808 . 0 0 "[ . 1 . 2]" 1
384 1 90 VAL MG1 1 91 ARG H 4.230 . 4.230 3.835 3.643 4.049 . 0 0 "[ . 1 . 2]" 1
385 1 90 VAL MG1 1 99 LEU QD 4.180 . 4.180 3.666 3.383 3.936 . 0 0 "[ . 1 . 2]" 1
386 1 90 VAL MG1 1 100 GLY H 5.270 . 5.270 5.275 5.082 5.415 0.145 5 0 "[ . 1 . 2]" 1
387 1 90 VAL MG1 1 102 VAL H 4.250 . 4.250 4.260 3.886 4.440 0.190 5 0 "[ . 1 . 2]" 1
388 1 90 VAL MG1 1 102 VAL MG1 3.080 . 3.080 1.944 1.799 2.036 0.001 11 0 "[ . 1 . 2]" 1
389 1 90 VAL MG1 1 102 VAL MG2 3.640 . 3.640 2.629 2.030 3.243 . 0 0 "[ . 1 . 2]" 1
390 1 90 VAL MG1 1 112 LEU QD 4.900 . 4.900 3.681 3.314 4.349 . 0 0 "[ . 1 . 2]" 1
391 1 90 VAL MG1 1 115 CYS H 5.220 . 5.220 5.202 4.822 5.445 0.225 15 0 "[ . 1 . 2]" 1
392 1 90 VAL MG1 1 116 ILE MD 4.230 . 4.230 3.716 3.406 4.096 . 0 0 "[ . 1 . 2]" 1
393 1 90 VAL MG2 1 91 ARG H 4.240 . 4.240 4.184 4.037 4.285 0.045 14 0 "[ . 1 . 2]" 1
394 1 90 VAL MG2 1 99 LEU H 4.910 . 4.910 4.665 3.944 5.086 0.176 19 0 "[ . 1 . 2]" 1
395 1 90 VAL MG2 1 99 LEU QD 4.720 . 4.720 2.769 1.974 3.099 . 0 0 "[ . 1 . 2]" 1
396 1 90 VAL MG2 1 100 GLY H 3.130 . 3.130 2.579 2.346 2.827 . 0 0 "[ . 1 . 2]" 1
397 1 90 VAL MG2 1 101 HIS H 3.620 . 3.620 3.570 3.191 3.794 0.174 5 0 "[ . 1 . 2]" 1
398 1 90 VAL MG2 1 102 VAL H 4.400 . 4.400 4.114 3.817 4.370 . 0 0 "[ . 1 . 2]" 1
399 1 90 VAL MG2 1 102 VAL MG1 2.970 . 2.970 2.221 1.923 2.545 . 0 0 "[ . 1 . 2]" 1
400 1 90 VAL MG2 1 102 VAL MG2 4.360 . 4.360 3.822 3.263 4.418 0.058 11 0 "[ . 1 . 2]" 1
401 1 90 VAL MG2 1 115 CYS H 4.510 . 4.510 4.213 3.837 4.563 0.053 7 0 "[ . 1 . 2]" 1
402 1 90 VAL MG2 1 116 ILE MD 3.030 . 3.030 2.058 1.880 2.208 . 0 0 "[ . 1 . 2]" 1
403 1 91 ARG H 1 92 SER H 4.800 . 4.800 4.112 3.815 4.544 . 0 0 "[ . 1 . 2]" 1
404 1 91 ARG H 1 99 LEU QD 3.770 . 3.770 3.211 2.748 3.957 0.187 19 0 "[ . 1 . 2]" 1
405 1 92 SER H 1 96 ASP H 4.570 . 4.570 4.493 3.703 5.612 1.042 10 1 "[ . + . 2]" 1
406 1 92 SER H 1 97 SER H 4.360 . 4.360 4.370 2.847 6.212 1.852 17 3 "[ - . * . + 2]" 1
407 1 92 SER H 1 98 HIS H 5.090 . 5.090 4.634 2.809 5.376 0.286 10 0 "[ . 1 . 2]" 1
408 1 92 SER H 1 99 LEU H 5.250 . 5.250 4.381 3.081 5.485 0.235 17 0 "[ . 1 . 2]" 1
409 1 92 SER H 1 99 LEU QD 3.330 . 3.330 3.041 2.416 4.167 0.837 19 1 "[ . 1 . +2]" 1
410 1 95 ALA H 1 96 ASP H 3.780 . 3.780 2.306 1.760 3.089 0.040 13 0 "[ . 1 . 2]" 1
411 1 96 ASP H 1 97 SER H 4.110 . 4.110 2.933 2.426 3.483 . 0 0 "[ . 1 . 2]" 1
412 1 97 SER H 1 98 HIS H 4.980 . 4.980 2.494 1.819 2.937 . 0 0 "[ . 1 . 2]" 1
413 1 98 HIS H 1 99 LEU H 4.460 . 4.460 2.737 2.402 3.207 . 0 0 "[ . 1 . 2]" 1
414 1 98 HIS H 1 99 LEU QD 4.810 . 4.810 4.092 3.468 4.569 . 0 0 "[ . 1 . 2]" 1
415 1 99 LEU H 1 99 LEU QD 3.360 . 3.360 2.705 2.334 2.969 . 0 0 "[ . 1 . 2]" 1
416 1 99 LEU H 1 100 GLY H 3.320 . 3.320 3.226 2.600 3.386 0.066 19 0 "[ . 1 . 2]" 1
417 1 99 LEU H 1 116 ILE MD 5.560 . 5.560 5.147 4.679 5.689 0.129 7 0 "[ . 1 . 2]" 1
418 1 99 LEU QD 1 100 GLY H 4.250 . 4.250 3.634 1.885 3.883 . 0 0 "[ . 1 . 2]" 1
419 1 99 LEU QD 1 116 ILE MD 4.390 . 4.390 3.360 2.100 3.991 . 0 0 "[ . 1 . 2]" 1
420 1 99 LEU QD 1 121 LEU MD2 5.340 . 5.340 4.183 3.492 5.054 . 0 0 "[ . 1 . 2]" 1
421 1 100 GLY H 1 101 HIS H 4.690 . 4.690 4.344 4.266 4.440 . 0 0 "[ . 1 . 2]" 1
422 1 100 GLY H 1 116 ILE MD 4.030 . 4.030 3.539 2.800 3.936 . 0 0 "[ . 1 . 2]" 1
423 1 101 HIS H 1 102 VAL H 4.630 . 4.630 4.447 4.374 4.529 . 0 0 "[ . 1 . 2]" 1
424 1 101 HIS H 1 102 VAL MG1 4.390 . 4.390 4.200 3.852 4.475 0.085 8 0 "[ . 1 . 2]" 1
425 1 101 HIS H 1 115 CYS H . . 4.000 4.015 3.580 4.255 0.255 20 0 "[ . 1 . 2]" 1
426 1 101 HIS H 1 116 ILE MD 3.680 . 3.680 3.348 2.741 3.750 0.070 10 0 "[ . 1 . 2]" 1
427 1 101 HIS H 1 117 ASN H 6.000 . 6.000 5.037 4.367 5.409 . 0 0 "[ . 1 . 2]" 1
428 1 102 VAL H 1 102 VAL MG1 3.010 . 3.010 2.971 2.801 3.061 0.051 7 0 "[ . 1 . 2]" 1
429 1 102 VAL H 1 102 VAL MG2 3.150 . 3.150 2.495 2.347 2.650 . 0 0 "[ . 1 . 2]" 1
430 1 102 VAL H 1 103 PHE H 4.520 . 4.520 4.376 4.276 4.464 . 0 0 "[ . 1 . 2]" 1
431 1 102 VAL H 1 112 LEU QD 5.410 . 5.410 4.712 4.513 4.926 . 0 0 "[ . 1 . 2]" 1
432 1 102 VAL MG1 1 103 PHE H 4.160 . 4.160 3.960 3.864 4.108 . 0 0 "[ . 1 . 2]" 1
433 1 102 VAL MG1 1 112 LEU QD 4.130 . 4.130 3.282 2.939 3.596 . 0 0 "[ . 1 . 2]" 1
434 1 102 VAL MG1 1 113 ARG H 4.270 . 4.270 4.172 3.902 4.376 0.106 8 0 "[ . 1 . 2]" 1
435 1 102 VAL MG1 1 115 CYS H 3.880 . 3.880 2.563 1.963 3.211 . 0 0 "[ . 1 . 2]" 1
436 1 102 VAL MG2 1 103 PHE H 3.590 . 3.590 3.613 3.268 3.803 0.213 4 0 "[ . 1 . 2]" 1
437 1 102 VAL MG2 1 112 LEU QD . . 3.050 1.709 1.616 1.827 0.184 17 0 "[ . 1 . 2]" 1
438 1 102 VAL MG2 1 113 ARG H 3.750 . 3.750 3.809 3.452 3.970 0.220 14 0 "[ . 1 . 2]" 1
439 1 102 VAL MG2 1 114 TYR H 5.710 . 5.710 5.593 5.261 5.826 0.116 1 0 "[ . 1 . 2]" 1
440 1 102 VAL MG2 1 115 CYS H 5.290 . 5.290 4.978 4.732 5.277 . 0 0 "[ . 1 . 2]" 1
441 1 103 PHE H 1 105 ASP H 4.850 . 4.850 4.660 4.254 4.982 0.132 5 0 "[ . 1 . 2]" 1
442 1 103 PHE H 1 106 GLY H 5.890 . 5.890 5.183 4.410 6.099 0.209 15 0 "[ . 1 . 2]" 1
443 1 103 PHE H 1 112 LEU QD 4.210 . 4.210 3.992 3.451 4.213 0.003 17 0 "[ . 1 . 2]" 1
444 1 103 PHE H 1 113 ARG H 3.370 . 3.370 2.556 2.022 3.122 . 0 0 "[ . 1 . 2]" 1
445 1 103 PHE H 1 114 TYR H 5.540 . 5.540 5.213 5.007 5.665 0.125 9 0 "[ . 1 . 2]" 1
446 1 103 PHE H 1 115 CYS H 5.200 . 5.200 4.478 3.741 5.047 . 0 0 "[ . 1 . 2]" 1
447 1 104 ASN H 1 105 ASP H 3.970 . 3.970 2.752 2.497 3.475 . 0 0 "[ . 1 . 2]" 1
448 1 104 ASN H 1 106 GLY H 4.870 . 4.870 4.627 4.241 5.168 0.298 15 0 "[ . 1 . 2]" 1
449 1 104 ASN H 1 112 LEU QD 4.440 . 4.440 3.548 3.220 3.799 . 0 0 "[ . 1 . 2]" 1
450 1 104 ASN H 1 113 ARG H 5.450 . 5.450 5.062 4.735 5.475 0.025 7 0 "[ . 1 . 2]" 1
451 1 104 ASN QD 1 112 LEU QD . . 3.110 2.411 2.009 3.040 . 0 0 "[ . 1 . 2]" 1
452 1 104 ASN HD21 1 112 LEU QD 3.680 . 3.680 2.757 2.029 3.619 . 0 0 "[ . 1 . 2]" 1
453 1 104 ASN HD22 1 112 LEU QD 3.680 . 3.680 3.068 2.236 3.790 0.110 16 0 "[ . 1 . 2]" 1
454 1 105 ASP H 1 106 GLY H 3.440 . 3.440 2.355 1.805 2.747 . 0 0 "[ . 1 . 2]" 1
455 1 105 ASP H 1 112 LEU QD 4.830 . 4.830 4.520 3.204 4.838 0.008 12 0 "[ . 1 . 2]" 1
456 1 105 ASP H 1 113 ARG H 5.020 . 5.020 4.740 3.281 5.218 0.198 14 0 "[ . 1 . 2]" 1
457 1 106 GLY H 1 112 LEU QD 5.080 . 5.080 4.679 3.409 5.111 0.031 8 0 "[ . 1 . 2]" 1
458 1 106 GLY H 1 113 ARG H 4.830 . 4.830 4.252 3.666 4.904 0.074 8 0 "[ . 1 . 2]" 1
459 1 108 GLY H 1 111 GLY H 5.040 . 5.040 3.588 2.837 5.129 0.089 15 0 "[ . 1 . 2]" 1
460 1 108 GLY H 1 112 LEU H 5.220 . 5.220 4.494 3.266 5.295 0.075 15 0 "[ . 1 . 2]" 1
461 1 110 ASN H 1 111 GLY H 4.310 . 4.310 2.320 2.070 2.884 . 0 0 "[ . 1 . 2]" 1
462 1 110 ASN QD 1 112 LEU H 5.240 . 5.240 3.685 2.359 4.909 . 0 0 "[ . 1 . 2]" 1
463 1 110 ASN QD 1 112 LEU QD 3.580 . 3.580 2.231 1.753 3.938 0.358 15 0 "[ . 1 . 2]" 1
464 1 110 ASN HD21 1 112 LEU H 6.000 . 6.000 4.083 2.374 5.146 . 0 0 "[ . 1 . 2]" 1
465 1 110 ASN HD21 1 112 LEU QD 4.080 . 4.080 2.422 1.769 4.111 0.031 4 0 "[ . 1 . 2]" 1
466 1 110 ASN HD22 1 112 LEU H 6.000 . 6.000 4.601 2.995 6.201 0.201 4 0 "[ . 1 . 2]" 1
467 1 110 ASN HD22 1 112 LEU QD 4.080 . 4.080 2.855 1.891 5.041 0.961 15 1 "[ . 1 + 2]" 1
468 1 111 GLY H 1 112 LEU H 3.790 . 3.790 2.422 2.106 2.952 . 0 0 "[ . 1 . 2]" 1
469 1 111 GLY H 1 112 LEU QD 5.620 . 5.620 4.773 2.834 5.197 . 0 0 "[ . 1 . 2]" 1
470 1 112 LEU H 1 112 LEU QD . . 4.110 3.439 1.923 3.594 . 0 0 "[ . 1 . 2]" 1
471 1 112 LEU H 1 113 ARG H 5.380 . 5.380 4.489 4.446 4.557 . 0 0 "[ . 1 . 2]" 1
472 1 112 LEU QD 1 113 ARG H . . 3.510 3.283 3.143 3.548 0.038 15 0 "[ . 1 . 2]" 1
473 1 113 ARG H 1 114 TYR H 4.780 . 4.780 4.095 3.935 4.290 . 0 0 "[ . 1 . 2]" 1
474 1 114 TYR H 1 115 CYS H 4.760 . 4.760 4.299 4.098 4.566 . 0 0 "[ . 1 . 2]" 1
475 1 115 CYS H 1 116 ILE H 4.740 . 4.740 4.044 3.850 4.206 . 0 0 "[ . 1 . 2]" 1
476 1 115 CYS H 1 116 ILE MD 3.490 . 3.490 3.491 3.207 3.609 0.119 11 0 "[ . 1 . 2]" 1
477 1 116 ILE H 1 116 ILE MD 3.730 . 3.730 3.438 3.132 3.718 . 0 0 "[ . 1 . 2]" 1
478 1 116 ILE H 1 121 LEU MD1 4.860 . 4.860 4.360 3.415 4.832 . 0 0 "[ . 1 . 2]" 1
479 1 116 ILE MD 1 117 ASN H 4.200 . 4.200 3.887 3.479 4.184 . 0 0 "[ . 1 . 2]" 1
480 1 116 ILE MD 1 121 LEU MD2 4.970 . 4.970 4.209 3.958 4.433 . 0 0 "[ . 1 . 2]" 1
481 1 117 ASN H 1 117 ASN HD21 3.840 . 3.840 2.246 1.909 3.387 . 0 0 "[ . 1 . 2]" 1
482 1 117 ASN H 1 117 ASN QD 3.340 . 3.340 2.200 1.896 3.184 . 0 0 "[ . 1 . 2]" 1
483 1 117 ASN H 1 117 ASN HD22 3.840 . 3.840 3.308 2.834 3.970 0.130 18 0 "[ . 1 . 2]" 1
484 1 117 ASN H 1 121 LEU MD1 4.480 . 4.480 4.330 3.942 4.587 0.107 16 0 "[ . 1 . 2]" 1
485 1 117 ASN H 1 121 LEU MD2 4.520 . 4.520 4.484 4.110 4.680 0.160 8 0 "[ . 1 . 2]" 1
486 1 118 SER H 1 119 ALA H 3.710 . 3.710 2.679 2.463 2.896 . 0 0 "[ . 1 . 2]" 1
487 1 118 SER H 1 120 ALA H 4.780 . 4.780 4.258 4.029 4.422 . 0 0 "[ . 1 . 2]" 1
488 1 118 SER HG 1 119 ALA H 4.790 . 4.790 4.212 3.145 4.885 0.095 2 0 "[ . 1 . 2]" 1
489 1 119 ALA H 1 120 ALA H 3.850 . 3.850 2.609 2.492 2.752 . 0 0 "[ . 1 . 2]" 1
490 1 119 ALA H 1 121 LEU H 4.280 . 4.280 4.105 3.858 4.342 0.062 18 0 "[ . 1 . 2]" 1
491 1 120 ALA H 1 121 LEU H 3.240 . 3.240 2.473 2.025 2.742 . 0 0 "[ . 1 . 2]" 1
492 1 120 ALA H 1 121 LEU MD1 4.590 . 4.590 4.713 4.227 4.904 0.314 7 0 "[ . 1 . 2]" 1
493 1 120 ALA H 1 121 LEU MD2 4.280 . 4.280 4.435 4.216 4.646 0.366 19 0 "[ . 1 . 2]" 1
494 1 121 LEU H 1 121 LEU MD1 4.230 . 4.230 3.911 3.672 4.246 0.016 19 0 "[ . 1 . 2]" 1
495 1 121 LEU H 1 121 LEU MD2 3.710 . 3.710 3.451 3.240 3.899 0.189 18 0 "[ . 1 . 2]" 1
496 1 121 LEU H 1 122 ARG H 4.560 . 4.560 4.491 4.424 4.537 . 0 0 "[ . 1 . 2]" 1
497 1 121 LEU MD1 1 122 ARG H 4.450 . 4.450 4.577 4.355 4.731 0.281 6 0 "[ . 1 . 2]" 1
498 1 121 LEU MD2 1 122 ARG H 3.690 . 3.690 3.363 3.046 3.664 . 0 0 "[ . 1 . 2]" 1
499 1 122 ARG H 1 123 PHE H 4.550 . 4.550 4.080 3.851 4.262 . 0 0 "[ . 1 . 2]" 1
500 1 122 ARG H 1 124 VAL MG2 5.970 . 5.970 4.579 4.024 4.944 . 0 0 "[ . 1 . 2]" 1
501 1 123 PHE H 1 124 VAL H 4.530 . 4.530 4.476 4.344 4.588 0.058 13 0 "[ . 1 . 2]" 1
502 1 123 PHE H 1 124 VAL MG2 4.280 . 4.280 4.333 3.841 4.639 0.359 11 0 "[ . 1 . 2]" 1
503 1 124 VAL H 1 124 VAL MG1 4.000 . 4.000 3.960 3.907 4.023 0.023 13 0 "[ . 1 . 2]" 1
504 1 124 VAL H 1 124 VAL MG2 2.800 . 2.800 2.602 2.426 2.723 . 0 0 "[ . 1 . 2]" 1
505 1 124 VAL H 1 129 LEU MD1 5.230 . 5.230 5.067 4.435 5.354 0.124 8 0 "[ . 1 . 2]" 1
506 1 124 VAL H 1 129 LEU MD2 4.340 . 4.340 4.154 3.820 4.409 0.069 18 0 "[ . 1 . 2]" 1
507 1 124 VAL MG1 1 127 HIS H 5.580 . 5.580 5.556 5.144 5.749 0.169 11 0 "[ . 1 . 2]" 1
508 1 124 VAL MG1 1 128 LYS H 4.020 . 4.020 3.900 3.647 4.075 0.055 1 0 "[ . 1 . 2]" 1
509 1 124 VAL MG1 1 129 LEU H 3.570 . 3.570 3.221 2.807 3.567 . 0 0 "[ . 1 . 2]" 1
510 1 124 VAL MG1 1 129 LEU MD1 4.100 . 4.100 3.929 3.757 4.125 0.025 6 0 "[ . 1 . 2]" 1
511 1 124 VAL MG1 1 129 LEU MD2 2.810 . 2.810 2.068 1.961 2.166 . 0 0 "[ . 1 . 2]" 1
512 1 124 VAL MG1 1 131 GLU H 5.610 . 5.610 5.382 4.816 5.715 0.105 11 0 "[ . 1 . 2]" 1
513 1 124 VAL MG1 1 132 GLU H 4.880 . 4.880 4.500 3.853 5.003 0.123 11 0 "[ . 1 . 2]" 1
514 1 124 VAL MG1 1 138 LEU MD1 6.000 . 6.000 5.282 5.093 5.486 . 0 0 "[ . 1 . 2]" 1
515 1 124 VAL MG2 1 129 LEU MD2 4.760 . 4.760 3.243 2.971 3.490 . 0 0 "[ . 1 . 2]" 1
516 1 126 LYS H 1 127 HIS H 3.690 . 3.690 2.826 2.628 3.034 . 0 0 "[ . 1 . 2]" 1
517 1 126 LYS H 1 128 LYS H 4.470 . 4.470 4.258 4.032 4.454 . 0 0 "[ . 1 . 2]" 1
518 1 126 LYS H 1 129 LEU H 4.790 . 4.790 4.732 4.589 4.920 0.130 15 0 "[ . 1 . 2]" 1
519 1 126 LYS H 1 129 LEU MD1 3.820 . 3.820 3.607 3.177 3.935 0.115 8 0 "[ . 1 . 2]" 1
520 1 126 LYS H 1 129 LEU MD2 5.330 . 5.330 5.289 4.996 5.464 0.134 2 0 "[ . 1 . 2]" 1
521 1 127 HIS H 1 128 LYS H 3.750 . 3.750 2.499 2.317 2.664 . 0 0 "[ . 1 . 2]" 1
522 1 127 HIS H 1 129 LEU H 3.830 . 3.830 3.813 3.537 4.063 0.233 3 0 "[ . 1 . 2]" 1
523 1 127 HIS H 1 129 LEU MD1 4.830 . 4.830 4.780 4.619 4.905 0.075 11 0 "[ . 1 . 2]" 1
524 1 127 HIS H 1 129 LEU MD2 6.000 . 6.000 6.025 5.914 6.145 0.145 18 0 "[ . 1 . 2]" 1
525 1 128 LYS H 1 129 LEU H 3.030 . 3.030 2.218 2.091 2.340 . 0 0 "[ . 1 . 2]" 1
526 1 128 LYS H 1 129 LEU MD1 4.730 . 4.730 4.864 4.772 4.963 0.233 16 0 "[ . 1 . 2]" 1
527 1 128 LYS H 1 129 LEU MD2 4.840 . 4.840 4.970 4.835 5.084 0.244 2 0 "[ . 1 . 2]" 1
528 1 128 LYS H 1 130 LYS H 4.290 . 4.290 4.172 3.879 4.471 0.181 3 0 "[ . 1 . 2]" 1
529 1 129 LEU H 1 129 LEU MD1 3.830 . 3.830 3.666 3.577 3.759 . 0 0 "[ . 1 . 2]" 1
530 1 129 LEU H 1 129 LEU MD2 3.760 . 3.760 3.496 3.363 3.658 . 0 0 "[ . 1 . 2]" 1
531 1 129 LEU H 1 130 LYS H 2.790 . 2.790 2.686 2.489 2.844 0.054 17 0 "[ . 1 . 2]" 1
532 1 129 LEU H 1 131 GLU H 4.410 . 4.410 4.097 3.847 4.370 . 0 0 "[ . 1 . 2]" 1
533 1 129 LEU H 1 132 GLU H 5.100 . 5.100 4.663 4.452 4.949 . 0 0 "[ . 1 . 2]" 1
534 1 129 LEU H 1 138 LEU MD1 4.320 . 4.320 4.217 3.943 4.457 0.137 4 0 "[ . 1 . 2]" 1
535 1 129 LEU H 1 138 LEU MD2 5.170 . 5.170 5.145 4.703 5.499 0.329 16 0 "[ . 1 . 2]" 1
536 1 129 LEU MD1 1 130 LYS H 4.710 . 4.710 4.635 4.365 4.764 0.054 20 0 "[ . 1 . 2]" 1
537 1 129 LEU MD1 1 134 TYR H 5.730 . 5.730 5.777 5.421 5.982 0.252 17 0 "[ . 1 . 2]" 1
538 1 129 LEU MD1 1 137 TYR H 5.240 . 5.240 4.630 3.437 5.354 0.114 11 0 "[ . 1 . 2]" 1
539 1 129 LEU MD1 1 138 LEU H 3.910 . 3.910 3.894 3.546 4.097 0.187 9 0 "[ . 1 . 2]" 1
540 1 129 LEU MD1 1 138 LEU MD1 3.520 . 3.520 2.087 1.904 2.251 . 0 0 "[ . 1 . 2]" 1
541 1 129 LEU MD1 1 138 LEU MD2 3.730 . 3.730 3.907 3.655 4.016 0.286 16 0 "[ . 1 . 2]" 1
542 1 129 LEU MD2 1 130 LYS H 4.900 . 4.900 4.746 4.651 4.824 . 0 0 "[ . 1 . 2]" 1
543 1 129 LEU MD2 1 131 GLU H 5.600 . 5.600 5.630 5.365 5.860 0.260 17 0 "[ . 1 . 2]" 1
544 1 129 LEU MD2 1 132 GLU H 4.940 . 4.940 4.679 4.206 5.192 0.252 2 0 "[ . 1 . 2]" 1
545 1 129 LEU MD2 1 134 TYR H 5.240 . 5.240 4.853 4.044 5.409 0.169 6 0 "[ . 1 . 2]" 1
546 1 129 LEU MD2 1 137 TYR H 5.010 . 5.010 4.618 3.521 5.143 0.133 14 0 "[ . 1 . 2]" 1
547 1 129 LEU MD2 1 138 LEU H 5.010 . 5.010 4.934 4.659 5.191 0.181 8 0 "[ . 1 . 2]" 1
548 1 129 LEU MD2 1 138 LEU MD1 4.080 . 4.080 3.409 3.093 3.626 . 0 0 "[ . 1 . 2]" 1
549 1 129 LEU MD2 1 138 LEU MD2 5.510 . 5.510 5.285 4.928 5.533 0.023 6 0 "[ . 1 . 2]" 1
550 1 130 LYS H 1 131 GLU H 3.180 . 3.180 2.625 2.292 2.898 . 0 0 "[ . 1 . 2]" 1
551 1 130 LYS H 1 132 GLU H 4.060 . 4.060 4.003 3.804 4.177 0.117 2 0 "[ . 1 . 2]" 1
552 1 130 LYS H 1 133 GLY H 5.230 . 5.230 5.048 4.791 5.259 0.029 15 0 "[ . 1 . 2]" 1
553 1 130 LYS H 1 134 TYR H 4.630 . 4.630 4.663 4.323 4.908 0.278 10 0 "[ . 1 . 2]" 1
554 1 130 LYS H 1 138 LEU MD1 3.850 . 3.850 3.666 3.037 4.059 0.209 4 0 "[ . 1 . 2]" 1
555 1 130 LYS H 1 138 LEU MD2 4.080 . 4.080 3.839 2.980 4.297 0.217 11 0 "[ . 1 . 2]" 1
556 1 131 GLU H 1 132 GLU H 3.210 . 3.210 2.472 2.200 2.751 . 0 0 "[ . 1 . 2]" 1
557 1 131 GLU H 1 133 GLY H 3.980 . 3.980 3.998 3.817 4.162 0.182 15 0 "[ . 1 . 2]" 1
558 1 131 GLU H 1 134 TYR H 4.830 . 4.830 4.824 4.650 5.037 0.207 8 0 "[ . 1 . 2]" 1
559 1 132 GLU H 1 133 GLY H 3.340 . 3.340 2.612 2.403 2.883 . 0 0 "[ . 1 . 2]" 1
560 1 132 GLU H 1 134 TYR H 3.900 . 3.900 3.907 3.650 4.121 0.221 20 0 "[ . 1 . 2]" 1
561 1 132 GLU H 1 138 LEU MD1 6.000 . 6.000 5.791 5.515 6.106 0.106 8 0 "[ . 1 . 2]" 1
562 1 133 GLY H 1 134 TYR H 3.270 . 3.270 2.355 1.975 2.783 . 0 0 "[ . 1 . 2]" 1
563 1 133 GLY H 1 135 GLU H 4.930 . 4.930 4.839 4.184 5.166 0.236 5 0 "[ . 1 . 2]" 1
564 1 134 TYR H 1 135 GLU H 3.380 . 3.380 3.162 2.536 3.685 0.305 5 0 "[ . 1 . 2]" 1
565 1 134 TYR H 1 138 LEU MD1 4.330 . 4.330 4.041 3.755 4.464 0.134 8 0 "[ . 1 . 2]" 1
566 1 134 TYR H 1 138 LEU MD2 5.100 . 5.100 4.995 4.548 5.420 0.320 14 0 "[ . 1 . 2]" 1
567 1 135 GLU H 1 137 TYR H 4.990 . 4.990 4.406 3.675 4.861 . 0 0 "[ . 1 . 2]" 1
568 1 135 GLU H 1 138 LEU H 5.120 . 5.120 5.009 4.723 5.292 0.172 14 0 "[ . 1 . 2]" 1
569 1 135 GLU H 1 138 LEU MD1 4.710 . 4.710 4.458 3.710 4.855 0.145 1 0 "[ . 1 . 2]" 1
570 1 135 GLU H 1 138 LEU MD2 5.320 . 5.320 5.204 4.394 5.607 0.287 13 0 "[ . 1 . 2]" 1
571 1 137 TYR H 1 138 LEU H 3.300 . 3.300 2.533 2.163 3.060 . 0 0 "[ . 1 . 2]" 1
572 1 137 TYR H 1 138 LEU MD1 4.380 . 4.380 3.483 2.709 4.077 . 0 0 "[ . 1 . 2]" 1
573 1 138 LEU H 1 138 LEU MD1 3.460 . 3.460 2.023 1.800 2.245 0.000 4 0 "[ . 1 . 2]" 1
574 1 138 LEU H 1 138 LEU MD2 3.960 . 3.960 3.877 3.742 3.982 0.022 18 0 "[ . 1 . 2]" 1
575 1 138 LEU H 1 140 LEU H 4.930 . 4.930 4.231 3.932 4.610 . 0 0 "[ . 1 . 2]" 1
576 1 138 LEU MD1 1 140 LEU H 6.000 . 6.000 5.333 4.992 5.707 . 0 0 "[ . 1 . 2]" 1
577 1 138 LEU MD1 1 141 PHE H 6.000 . 6.000 5.206 4.348 5.817 . 0 0 "[ . 1 . 2]" 1
578 1 140 LEU H 1 140 LEU MD1 3.770 . 3.770 3.676 3.496 3.851 0.081 13 0 "[ . 1 . 2]" 1
579 1 140 LEU H 1 140 LEU MD2 3.630 . 3.630 3.445 3.244 3.687 0.057 6 0 "[ . 1 . 2]" 1
580 1 140 LEU H 1 141 PHE H 3.330 . 3.330 2.586 2.190 2.893 . 0 0 "[ . 1 . 2]" 1
581 1 140 LEU H 1 142 ASN H 4.070 . 4.070 3.916 3.591 4.150 0.080 14 0 "[ . 1 . 2]" 1
582 1 140 LEU MD1 1 141 PHE H 4.370 . 4.370 4.442 4.284 4.588 0.218 16 0 "[ . 1 . 2]" 1
583 1 140 LEU MD2 1 141 PHE H 4.760 . 4.760 4.683 4.598 4.744 . 0 0 "[ . 1 . 2]" 1
584 1 141 PHE H 1 142 ASN H 3.960 . 3.960 2.538 2.117 2.836 . 0 0 "[ . 1 . 2]" 1
585 1 142 ASN H 1 142 ASN QD 4.690 . 4.690 4.350 1.869 4.870 0.180 2 0 "[ . 1 . 2]" 1
586 1 142 ASN QD 1 144 LEU QD 3.950 . 3.950 3.132 1.791 4.142 0.192 3 0 "[ . 1 . 2]" 1
587 1 144 LEU H 1 144 LEU QD 4.560 . 4.560 3.170 2.008 4.172 . 0 0 "[ . 1 . 2]" 1
588 1 144 LEU H 1 145 GLU H 4.880 . 4.880 4.165 2.873 4.637 . 0 0 "[ . 1 . 2]" 1
589 1 144 LEU QD 1 145 GLU H 3.980 . 3.980 3.102 2.256 4.069 0.089 1 0 "[ . 1 . 2]" 1
590 1 144 LEU MD1 1 145 GLU H 4.720 . 4.720 3.396 2.263 4.861 0.141 9 0 "[ . 1 . 2]" 1
591 1 144 LEU MD2 1 145 GLU H 4.720 . 4.720 4.164 2.689 4.784 0.064 15 0 "[ . 1 . 2]" 1
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