NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
646816 |
6kjo   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6kjo
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 1725
_Distance_constraint_stats_list.Viol_count 1680
_Distance_constraint_stats_list.Viol_total 2147.547
_Distance_constraint_stats_list.Viol_max 1.006
_Distance_constraint_stats_list.Viol_rms 0.0519
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0124
_Distance_constraint_stats_list.Viol_average_violations_only 0.1278
_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 4 MET 0.046 0.046 3 0 "[ . 1]"
1 5 LYS 0.000 0.000 . 0 "[ . 1]"
1 6 CYS 0.406 0.215 10 0 "[ . 1]"
1 7 ILE 2.281 0.201 10 0 "[ . 1]"
1 8 GLN 1.062 0.201 10 0 "[ . 1]"
1 9 ASP 0.010 0.006 4 0 "[ . 1]"
1 10 ILE 4.454 0.232 7 0 "[ . 1]"
1 11 GLU 3.802 0.383 6 0 "[ . 1]"
1 12 PRO 2.035 0.207 3 0 "[ . 1]"
1 13 THR 4.882 0.383 6 0 "[ . 1]"
1 14 ILE 4.086 0.334 9 0 "[ . 1]"
1 15 LEU 1.141 0.207 3 0 "[ . 1]"
1 16 GLU 0.000 0.000 . 0 "[ . 1]"
1 17 ALA 3.274 0.250 10 0 "[ . 1]"
1 18 GLN 6.317 0.260 1 0 "[ . 1]"
1 19 ARG 1.224 0.183 9 0 "[ . 1]"
1 20 GLY 0.799 0.183 9 0 "[ . 1]"
1 21 VAL 2.166 0.260 7 0 "[ . 1]"
1 22 LYS 2.291 0.244 4 0 "[ . 1]"
1 23 ASN 1.182 0.306 5 0 "[ . 1]"
1 24 ILE 2.729 0.342 5 0 "[ . 1]"
1 25 LYS 0.281 0.169 7 0 "[ . 1]"
1 27 GLN 0.195 0.195 5 0 "[ . 1]"
1 28 GLN 2.853 0.342 5 0 "[ . 1]"
1 29 LEU 4.155 0.365 7 0 "[ . 1]"
1 30 THR 0.530 0.339 10 0 "[ . 1]"
1 31 GLU 0.000 0.000 . 0 "[ . 1]"
1 32 ILE 7.874 0.413 4 0 "[ . 1]"
1 33 ARG 4.110 0.348 7 0 "[ . 1]"
1 34 SER 0.866 0.218 7 0 "[ . 1]"
1 35 MET 5.342 0.413 4 0 "[ . 1]"
1 36 VAL 0.351 0.102 6 0 "[ . 1]"
1 37 ASN 0.223 0.102 6 0 "[ . 1]"
1 38 PRO 5.455 0.366 9 0 "[ . 1]"
1 39 PRO 3.773 0.464 1 0 "[ . 1]"
1 40 SER 0.732 0.317 5 0 "[ . 1]"
1 41 GLY 4.592 0.464 1 0 "[ . 1]"
1 42 VAL 5.974 0.460 9 0 "[ . 1]"
1 43 LYS 2.734 0.317 5 0 "[ . 1]"
1 44 ILE 8.231 0.595 7 2 "[ -. + 1]"
1 45 VAL 4.291 0.501 3 1 "[ + . 1]"
1 46 MET 6.241 0.333 1 0 "[ . 1]"
1 47 GLU 0.317 0.317 8 0 "[ . 1]"
1 48 ALA 1.902 0.233 10 0 "[ . 1]"
1 49 VAL 3.898 0.276 10 0 "[ . 1]"
1 50 CYS 8.859 0.521 5 2 "[ + -]"
1 51 ALA 3.307 0.233 10 0 "[ . 1]"
1 52 ILE 15.708 0.545 10 5 "[ * .* *-+]"
1 53 LEU 10.708 0.413 8 0 "[ . 1]"
1 54 GLY 5.892 0.545 10 5 "[ * .* *-+]"
1 55 TYR 8.226 0.521 5 3 "[* + -]"
1 56 GLN 3.449 0.566 2 1 "[ + . 1]"
1 57 PHE 1.814 0.566 2 1 "[ + . 1]"
1 58 SER 5.360 1.006 3 4 "[- + . * *]"
1 59 ASN 6.031 0.423 8 0 "[ . 1]"
1 60 TRP 2.305 0.255 9 0 "[ . 1]"
1 61 ARG 3.170 0.397 1 0 "[ . 1]"
1 62 ASP 4.189 0.423 8 0 "[ . 1]"
1 63 ILE 10.934 1.006 3 4 "[- + . * *]"
1 64 GLN 2.458 0.383 8 0 "[ . 1]"
1 65 GLN 3.156 0.319 3 0 "[ . 1]"
1 66 PHE 2.601 0.348 8 0 "[ . 1]"
1 67 ILE 9.622 0.365 7 0 "[ . 1]"
1 68 ARG 1.104 0.267 10 0 "[ . 1]"
1 69 LYS 0.000 0.000 . 0 "[ . 1]"
1 70 ASP 0.000 0.000 . 0 "[ . 1]"
1 71 ASP 0.176 0.076 8 0 "[ . 1]"
1 72 PHE 4.593 0.447 6 0 "[ . 1]"
1 73 ILE 7.001 0.447 6 0 "[ . 1]"
1 74 HIS 0.490 0.121 6 0 "[ . 1]"
1 75 ASN 1.053 0.191 8 0 "[ . 1]"
1 76 ILE 4.525 0.346 8 0 "[ . 1]"
1 77 VAL 2.486 0.244 4 0 "[ . 1]"
1 78 HIS 0.686 0.121 6 0 "[ . 1]"
1 79 TYR 2.462 0.241 8 0 "[ . 1]"
1 80 ASP 0.173 0.060 6 0 "[ . 1]"
1 81 THR 2.179 0.324 6 0 "[ . 1]"
1 82 THR 0.545 0.229 5 0 "[ . 1]"
1 83 LEU 1.122 0.229 5 0 "[ . 1]"
1 84 HIS 0.000 0.000 . 0 "[ . 1]"
1 85 MET 0.311 0.241 8 0 "[ . 1]"
1 89 ILE 2.816 0.208 6 0 "[ . 1]"
1 90 ARG 3.111 0.396 4 0 "[ . 1]"
1 91 LYS 0.128 0.040 5 0 "[ . 1]"
1 92 TYR 2.206 0.421 7 0 "[ . 1]"
1 93 MET 3.395 0.421 7 0 "[ . 1]"
1 94 GLU 6.352 0.433 8 0 "[ . 1]"
1 95 GLU 1.565 0.227 10 0 "[ . 1]"
1 96 GLU 1.448 0.139 6 0 "[ . 1]"
1 97 PHE 3.155 0.309 9 0 "[ . 1]"
1 98 LEU 7.088 0.433 8 0 "[ . 1]"
1 99 SER 1.325 0.172 8 0 "[ . 1]"
1 100 ASP 2.489 0.171 1 0 "[ . 1]"
1 101 PRO 1.238 0.545 3 1 "[ + . 1]"
1 102 ASN 4.108 0.545 3 1 "[ + . 1]"
1 103 PHE 9.818 0.513 4 1 "[ +. 1]"
1 104 THR 1.312 0.175 1 0 "[ . 1]"
1 105 TYR 1.542 0.132 8 0 "[ . 1]"
1 106 GLU 2.234 0.269 2 0 "[ . 1]"
1 107 THR 3.100 0.200 2 0 "[ . 1]"
1 108 ILE 11.111 0.595 7 2 "[ - . + 1]"
1 109 ASN 0.439 0.142 9 0 "[ . 1]"
1 110 ARG 2.823 0.290 5 0 "[ . 1]"
1 111 ALA 3.072 0.290 5 0 "[ . 1]"
1 112 SER 2.081 0.343 10 0 "[ . 1]"
1 113 LYS 0.000 0.000 . 0 "[ . 1]"
1 114 ALA 4.174 0.345 4 0 "[ . 1]"
1 115 CYS 6.725 0.474 9 0 "[ . 1]"
1 116 GLY 1.271 0.188 9 0 "[ . 1]"
1 117 PRO 1.541 0.474 9 0 "[ . 1]"
1 118 LEU 3.266 0.268 3 0 "[ . 1]"
1 119 TYR 8.787 0.676 8 2 "[ -. + 1]"
1 120 GLN 0.697 0.128 9 0 "[ . 1]"
1 121 TRP 8.609 0.281 3 0 "[ . 1]"
1 122 VAL 4.324 0.676 8 2 "[ -. + 1]"
1 123 ASN 3.206 0.261 6 0 "[ . 1]"
1 124 ALA 4.898 0.298 3 0 "[ . 1]"
1 125 GLN 1.637 0.235 8 0 "[ . 1]"
1 126 ILE 3.244 0.396 4 0 "[ . 1]"
1 127 ASN 6.729 0.282 9 0 "[ . 1]"
1 128 PHE 2.849 0.260 5 0 "[ . 1]"
1 129 SER 5.174 0.282 9 0 "[ . 1]"
1 130 LYS 0.387 0.185 7 0 "[ . 1]"
1 131 CYS 0.906 0.369 5 0 "[ . 1]"
1 132 LEU 5.753 0.466 1 0 "[ . 1]"
1 133 GLU 1.291 0.309 7 0 "[ . 1]"
1 134 ASN 1.956 0.313 2 0 "[ . 1]"
1 135 VAL 5.137 0.466 1 0 "[ . 1]"
1 136 ASP 3.320 0.434 9 0 "[ . 1]"
1 137 PRO 0.000 0.000 . 0 "[ . 1]"
1 138 LEU 0.818 0.175 2 0 "[ . 1]"
1 139 ARG 0.818 0.175 2 0 "[ . 1]"
1 140 GLN 0.000 0.000 . 0 "[ . 1]"
1 141 GLU 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 MET HA 1 4 MET HG2 4.060 . 4.060 3.246 2.310 4.106 0.046 3 0 "[ . 1]" 1
2 1 4 MET HA 1 4 MET QG 3.420 . 3.420 2.767 2.166 3.302 . 0 0 "[ . 1]" 1
3 1 4 MET HA 1 4 MET HG3 4.060 . 4.060 3.177 2.327 3.738 . 0 0 "[ . 1]" 1
4 1 5 LYS H 1 5 LYS QG 4.540 . 4.540 3.080 1.892 4.227 . 0 0 "[ . 1]" 1
5 1 5 LYS HA 1 5 LYS QG 3.390 . 3.390 2.671 2.206 3.310 . 0 0 "[ . 1]" 1
6 1 5 LYS QB 1 6 CYS H 4.250 . 4.250 3.614 2.971 4.021 . 0 0 "[ . 1]" 1
7 1 6 CYS H 1 10 ILE MD 4.480 . 4.480 4.414 4.178 4.695 0.215 10 0 "[ . 1]" 1
8 1 6 CYS HA 1 10 ILE HB 5.500 . 5.500 4.195 3.837 4.487 . 0 0 "[ . 1]" 1
9 1 6 CYS HA 1 10 ILE HG13 4.420 . 4.420 2.737 2.402 3.213 . 0 0 "[ . 1]" 1
10 1 6 CYS QB 1 7 ILE H 4.690 . 4.690 2.264 1.914 2.800 . 0 0 "[ . 1]" 1
11 1 7 ILE H 1 7 ILE HB 3.990 . 3.990 3.586 3.576 3.593 . 0 0 "[ . 1]" 1
12 1 7 ILE H 1 7 ILE HG12 4.470 . 4.470 2.215 2.036 3.162 . 0 0 "[ . 1]" 1
13 1 7 ILE H 1 7 ILE QG 3.860 . 3.860 2.084 1.936 2.452 . 0 0 "[ . 1]" 1
14 1 7 ILE H 1 7 ILE HG13 4.470 . 4.470 2.860 2.354 3.279 . 0 0 "[ . 1]" 1
15 1 7 ILE H 1 10 ILE MD 4.050 . 4.050 2.731 2.461 3.034 . 0 0 "[ . 1]" 1
16 1 7 ILE H 1 128 PHE HA 5.000 . 5.000 4.933 4.614 5.095 0.095 10 0 "[ . 1]" 1
17 1 7 ILE HA 1 7 ILE MD 4.340 . 4.340 4.068 3.608 4.132 . 0 0 "[ . 1]" 1
18 1 7 ILE HA 1 7 ILE MG 3.350 . 3.350 2.245 2.110 2.394 . 0 0 "[ . 1]" 1
19 1 7 ILE HA 1 10 ILE MD 4.170 . 4.170 2.242 2.021 2.771 . 0 0 "[ . 1]" 1
20 1 7 ILE HA 1 128 PHE QE 4.410 . 4.410 3.229 2.446 4.565 0.155 5 0 "[ . 1]" 1
21 1 7 ILE HB 1 7 ILE MD 3.210 . 3.210 2.227 2.124 2.353 . 0 0 "[ . 1]" 1
22 1 7 ILE HB 1 128 PHE QE 5.500 . 5.500 3.377 2.465 4.883 . 0 0 "[ . 1]" 1
23 1 7 ILE MD 1 8 GLN QB 4.390 . 4.390 4.462 4.172 4.591 0.201 10 0 "[ . 1]" 1
24 1 7 ILE MD 1 128 PHE QE 4.170 . 4.170 3.547 3.182 3.886 . 0 0 "[ . 1]" 1
25 1 7 ILE QG 1 128 PHE QE 4.710 . 4.710 3.852 2.510 4.482 . 0 0 "[ . 1]" 1
26 1 7 ILE HG12 1 7 ILE MG 3.330 . 3.330 2.208 2.058 2.271 . 0 0 "[ . 1]" 1
27 1 7 ILE HG13 1 7 ILE MG 3.330 . 3.330 3.139 2.763 3.193 . 0 0 "[ . 1]" 1
28 1 7 ILE MG 1 81 THR HB 5.340 . 5.340 4.647 3.630 5.388 0.048 1 0 "[ . 1]" 1
29 1 7 ILE MG 1 81 THR MG 3.820 . 3.820 3.438 2.233 3.946 0.126 10 0 "[ . 1]" 1
30 1 7 ILE MG 1 128 PHE HA 3.790 . 3.790 3.254 2.736 3.963 0.173 7 0 "[ . 1]" 1
31 1 7 ILE MG 1 128 PHE QE 3.870 . 3.870 2.641 2.524 2.811 . 0 0 "[ . 1]" 1
32 1 8 GLN H 1 9 ASP H 3.590 . 3.590 3.109 3.039 3.267 . 0 0 "[ . 1]" 1
33 1 9 ASP H 1 9 ASP HB2 3.730 . 3.730 3.005 2.480 3.736 0.006 4 0 "[ . 1]" 1
34 1 9 ASP H 1 9 ASP QB 3.250 . 3.250 2.587 2.425 2.900 . 0 0 "[ . 1]" 1
35 1 9 ASP H 1 9 ASP HB3 3.730 . 3.730 2.960 2.716 3.688 . 0 0 "[ . 1]" 1
36 1 9 ASP H 1 10 ILE H 3.950 . 3.950 2.423 2.358 2.475 . 0 0 "[ . 1]" 1
37 1 9 ASP QB 1 10 ILE H 4.110 . 4.110 3.765 3.633 3.996 . 0 0 "[ . 1]" 1
38 1 9 ASP QB 1 10 ILE HA 5.340 . 5.340 4.471 4.187 4.874 . 0 0 "[ . 1]" 1
39 1 10 ILE H 1 10 ILE HG12 4.360 . 4.360 4.365 4.265 4.421 0.061 1 0 "[ . 1]" 1
40 1 10 ILE HA 1 10 ILE HG13 4.150 . 4.150 2.301 2.218 2.394 . 0 0 "[ . 1]" 1
41 1 10 ILE HA 1 10 ILE MG 3.530 . 3.530 2.956 2.885 3.011 . 0 0 "[ . 1]" 1
42 1 10 ILE HB 1 10 ILE MD 3.370 . 3.370 2.289 2.206 2.337 . 0 0 "[ . 1]" 1
43 1 10 ILE HB 1 128 PHE QD 4.630 . 4.630 4.085 3.671 4.679 0.049 7 0 "[ . 1]" 1
44 1 10 ILE MD 1 127 ASN HB2 4.010 . 4.010 4.059 3.733 4.242 0.232 7 0 "[ . 1]" 1
45 1 10 ILE MD 1 127 ASN HB3 3.960 . 3.960 3.370 2.945 3.817 . 0 0 "[ . 1]" 1
46 1 10 ILE MD 1 128 PHE QE 4.150 . 4.150 3.059 2.717 3.349 . 0 0 "[ . 1]" 1
47 1 10 ILE MD 1 129 SER H 4.730 . 4.730 4.816 4.772 4.852 0.122 6 0 "[ . 1]" 1
48 1 10 ILE MD 1 131 CYS H 4.110 . 4.110 3.393 3.051 3.576 . 0 0 "[ . 1]" 1
49 1 10 ILE HG12 1 10 ILE MG 3.630 . 3.630 2.300 2.256 2.351 . 0 0 "[ . 1]" 1
50 1 10 ILE HG12 1 11 GLU H 4.460 . 4.460 2.875 2.762 3.196 . 0 0 "[ . 1]" 1
51 1 10 ILE HG12 1 127 ASN HB2 5.090 . 5.090 4.983 4.753 5.236 0.146 5 0 "[ . 1]" 1
52 1 10 ILE HG12 1 128 PHE H 5.490 . 5.490 5.605 5.534 5.694 0.204 8 0 "[ . 1]" 1
53 1 10 ILE HG13 1 10 ILE MG 3.180 . 3.180 3.189 3.177 3.197 0.017 7 0 "[ . 1]" 1
54 1 10 ILE HG13 1 11 GLU H 4.770 . 4.770 3.792 3.582 4.051 . 0 0 "[ . 1]" 1
55 1 10 ILE MG 1 14 ILE HA 5.320 . 5.320 4.993 4.629 5.372 0.052 10 0 "[ . 1]" 1
56 1 10 ILE MG 1 14 ILE MD 3.620 . 3.620 1.971 1.733 2.658 . 0 0 "[ . 1]" 1
57 1 10 ILE MG 1 127 ASN HB2 3.950 . 3.950 3.951 3.680 4.071 0.121 4 0 "[ . 1]" 1
58 1 10 ILE MG 1 127 ASN HB3 3.810 . 3.810 3.580 3.214 3.818 0.008 6 0 "[ . 1]" 1
59 1 10 ILE MG 1 128 PHE QD 4.220 . 4.220 2.587 1.925 3.948 . 0 0 "[ . 1]" 1
60 1 11 GLU H 1 13 THR H 4.910 . 4.910 5.201 5.150 5.293 0.383 6 0 "[ . 1]" 1
61 1 11 GLU H 1 14 ILE MD 4.920 . 4.920 4.876 4.335 5.254 0.334 9 0 "[ . 1]" 1
62 1 12 PRO HA 1 14 ILE H 3.790 . 3.790 3.390 3.253 3.485 . 0 0 "[ . 1]" 1
63 1 12 PRO HA 1 15 LEU QB 3.650 . 3.650 3.463 3.258 3.769 0.119 2 0 "[ . 1]" 1
64 1 12 PRO HA 1 15 LEU QD 4.160 . 4.160 3.814 3.332 4.367 0.207 3 0 "[ . 1]" 1
65 1 12 PRO QB 1 15 LEU QD 4.950 . 4.950 4.229 3.443 4.929 . 0 0 "[ . 1]" 1
66 1 12 PRO HD2 1 13 THR H 3.880 . 3.880 3.053 2.885 3.140 . 0 0 "[ . 1]" 1
67 1 12 PRO HD2 1 13 THR HB 5.220 . 5.220 4.687 4.553 4.769 . 0 0 "[ . 1]" 1
68 1 12 PRO HD3 1 13 THR H 4.040 . 4.040 4.057 3.970 4.104 0.064 4 0 "[ . 1]" 1
69 1 12 PRO HD3 1 13 THR MG 5.340 . 5.340 5.277 5.108 5.481 0.141 9 0 "[ . 1]" 1
70 1 12 PRO HG2 1 13 THR H 3.580 . 3.580 3.207 3.150 3.256 . 0 0 "[ . 1]" 1
71 1 12 PRO HG2 1 13 THR HA 4.200 . 4.200 4.310 4.224 4.357 0.157 4 0 "[ . 1]" 1
72 1 12 PRO HG2 1 13 THR HB 4.920 . 4.920 4.698 4.568 4.787 . 0 0 "[ . 1]" 1
73 1 13 THR H 1 13 THR HB 3.450 . 3.450 2.448 2.353 2.529 . 0 0 "[ . 1]" 1
74 1 13 THR H 1 13 THR MG 3.370 . 3.370 2.156 2.018 2.343 . 0 0 "[ . 1]" 1
75 1 13 THR H 1 14 ILE H 3.690 . 3.690 2.770 2.718 2.824 . 0 0 "[ . 1]" 1
76 1 13 THR H 1 16 GLU H 4.940 . 4.940 4.799 4.736 4.900 . 0 0 "[ . 1]" 1
77 1 13 THR HA 1 13 THR MG 3.460 . 3.460 3.197 3.193 3.210 . 0 0 "[ . 1]" 1
78 1 13 THR HB 1 17 ALA MB 5.500 . 5.500 5.401 5.196 5.584 0.084 10 0 "[ . 1]" 1
79 1 13 THR MG 1 16 GLU H 5.370 . 5.370 5.023 4.987 5.146 . 0 0 "[ . 1]" 1
80 1 13 THR MG 1 17 ALA H 5.370 . 5.370 4.960 4.794 5.132 . 0 0 "[ . 1]" 1
81 1 14 ILE H 1 14 ILE HB 3.530 . 3.530 2.385 2.150 2.713 . 0 0 "[ . 1]" 1
82 1 14 ILE H 1 14 ILE MD 3.980 . 3.980 2.926 2.213 3.513 . 0 0 "[ . 1]" 1
83 1 14 ILE H 1 14 ILE MG 3.930 . 3.930 3.690 3.557 3.743 . 0 0 "[ . 1]" 1
84 1 14 ILE H 1 15 LEU H 4.010 . 4.010 2.764 2.650 2.917 . 0 0 "[ . 1]" 1
85 1 14 ILE H 1 15 LEU QB 4.740 . 4.740 4.545 4.374 4.758 0.018 2 0 "[ . 1]" 1
86 1 14 ILE H 1 17 ALA MB 5.020 . 5.020 4.631 4.479 4.813 . 0 0 "[ . 1]" 1
87 1 14 ILE HA 1 14 ILE MD 4.020 . 4.020 3.121 2.066 3.821 . 0 0 "[ . 1]" 1
88 1 14 ILE HA 1 14 ILE MG 3.220 . 3.220 2.447 2.261 2.651 . 0 0 "[ . 1]" 1
89 1 14 ILE HA 1 16 GLU H 4.990 . 4.990 4.529 4.411 4.657 . 0 0 "[ . 1]" 1
90 1 14 ILE HA 1 17 ALA H 4.030 . 4.030 3.681 3.538 3.829 . 0 0 "[ . 1]" 1
91 1 14 ILE HA 1 17 ALA MB 3.250 . 3.250 2.887 2.653 3.157 . 0 0 "[ . 1]" 1
92 1 14 ILE HA 1 121 TRP HA 4.440 . 4.440 4.208 3.871 4.485 0.045 2 0 "[ . 1]" 1
93 1 14 ILE HA 1 124 ALA H 5.500 . 5.500 5.105 4.989 5.294 . 0 0 "[ . 1]" 1
94 1 14 ILE HA 1 124 ALA MB 3.470 . 3.470 1.936 1.879 2.072 . 0 0 "[ . 1]" 1
95 1 14 ILE HA 1 125 GLN H 5.500 . 5.500 5.235 5.106 5.342 . 0 0 "[ . 1]" 1
96 1 14 ILE HA 1 125 GLN QG 5.340 . 5.340 5.400 5.268 5.521 0.181 9 0 "[ . 1]" 1
97 1 14 ILE HB 1 14 ILE MD 3.560 . 3.560 2.402 2.110 3.202 . 0 0 "[ . 1]" 1
98 1 14 ILE HB 1 15 LEU H 4.500 . 4.500 2.348 2.053 2.663 . 0 0 "[ . 1]" 1
99 1 14 ILE MD 1 14 ILE MG 3.350 . 3.350 2.301 1.822 3.216 . 0 0 "[ . 1]" 1
100 1 14 ILE MD 1 124 ALA MB 3.590 . 3.590 2.730 1.774 3.634 0.044 8 0 "[ . 1]" 1
101 1 14 ILE MD 1 127 ASN HB2 4.970 . 4.970 3.057 2.331 3.896 . 0 0 "[ . 1]" 1
102 1 14 ILE MD 1 128 PHE H 4.630 . 4.630 3.308 3.196 3.496 . 0 0 "[ . 1]" 1
103 1 14 ILE MD 1 128 PHE QB 3.610 . 3.610 2.996 2.013 3.691 0.081 3 0 "[ . 1]" 1
104 1 14 ILE MD 1 128 PHE QD 4.090 . 4.090 2.598 1.817 3.681 . 0 0 "[ . 1]" 1
105 1 14 ILE MD 1 129 SER H 5.500 . 5.500 5.435 5.091 5.656 0.156 1 0 "[ . 1]" 1
106 1 14 ILE QG 1 128 PHE QB 5.340 . 5.340 3.760 3.335 4.521 . 0 0 "[ . 1]" 1
107 1 14 ILE QG 1 128 PHE QD 4.850 . 4.850 3.462 2.172 5.110 0.260 5 0 "[ . 1]" 1
108 1 14 ILE MG 1 17 ALA H 5.090 . 5.090 4.696 4.570 4.890 . 0 0 "[ . 1]" 1
109 1 14 ILE MG 1 18 GLN HG2 4.930 . 4.930 4.440 4.102 4.664 . 0 0 "[ . 1]" 1
110 1 14 ILE MG 1 18 GLN HG3 4.230 . 4.230 3.257 2.963 3.501 . 0 0 "[ . 1]" 1
111 1 14 ILE MG 1 121 TRP HD1 5.260 . 5.260 4.751 4.239 5.140 . 0 0 "[ . 1]" 1
112 1 14 ILE MG 1 124 ALA HA 5.170 . 5.170 5.087 4.395 5.468 0.298 3 0 "[ . 1]" 1
113 1 14 ILE MG 1 124 ALA MB 3.380 . 3.380 3.002 2.405 3.436 0.056 3 0 "[ . 1]" 1
114 1 15 LEU H 1 16 GLU H 3.860 . 3.860 2.578 2.519 2.655 . 0 0 "[ . 1]" 1
115 1 15 LEU HA 1 15 LEU QD 2.870 . 2.870 1.965 1.780 2.134 . 0 0 "[ . 1]" 1
116 1 15 LEU HA 1 17 ALA H 4.410 . 4.410 4.133 4.082 4.210 . 0 0 "[ . 1]" 1
117 1 15 LEU HA 1 18 GLN H 4.110 . 4.110 3.385 3.277 3.474 . 0 0 "[ . 1]" 1
118 1 15 LEU HA 1 18 GLN HB2 3.890 . 3.890 2.855 2.675 2.981 . 0 0 "[ . 1]" 1
119 1 15 LEU HA 1 18 GLN HG2 5.010 . 5.010 5.007 4.859 5.125 0.115 7 0 "[ . 1]" 1
120 1 15 LEU HA 1 18 GLN HG3 4.820 . 4.820 3.505 3.280 3.728 . 0 0 "[ . 1]" 1
121 1 15 LEU QB 1 16 GLU H 3.310 . 3.310 2.689 2.609 2.803 . 0 0 "[ . 1]" 1
122 1 15 LEU HB2 1 16 GLU H 4.030 . 4.030 2.888 2.671 3.471 . 0 0 "[ . 1]" 1
123 1 15 LEU HB3 1 16 GLU H 4.030 . 4.030 3.378 2.808 3.660 . 0 0 "[ . 1]" 1
124 1 15 LEU QD 1 18 GLN HB2 4.170 . 4.170 3.502 2.913 4.076 . 0 0 "[ . 1]" 1
125 1 15 LEU QD 1 18 GLN HG3 4.110 . 4.110 4.069 3.700 4.233 0.123 3 0 "[ . 1]" 1
126 1 16 GLU H 1 16 GLU QB 3.020 . 3.020 2.259 2.072 2.410 . 0 0 "[ . 1]" 1
127 1 16 GLU H 1 18 GLN H 4.650 . 4.650 4.238 4.175 4.285 . 0 0 "[ . 1]" 1
128 1 17 ALA H 1 17 ALA MB 3.060 . 3.060 2.140 2.051 2.227 . 0 0 "[ . 1]" 1
129 1 17 ALA H 1 18 GLN H 3.660 . 3.660 2.570 2.485 2.596 . 0 0 "[ . 1]" 1
130 1 17 ALA H 1 18 GLN HG2 5.490 . 5.490 5.644 5.554 5.740 0.250 10 0 "[ . 1]" 1
131 1 17 ALA H 1 121 TRP HB2 5.500 . 5.500 5.540 5.266 5.738 0.238 3 0 "[ . 1]" 1
132 1 17 ALA H 1 121 TRP HD1 5.060 . 5.060 5.018 4.749 5.228 0.168 9 0 "[ . 1]" 1
133 1 17 ALA HA 1 19 ARG H 4.800 . 4.800 4.591 4.438 4.875 0.075 10 0 "[ . 1]" 1
134 1 17 ALA HA 1 20 GLY H 4.130 . 4.130 3.662 3.496 3.720 . 0 0 "[ . 1]" 1
135 1 17 ALA HA 1 117 PRO HA 4.910 . 4.910 3.864 3.608 4.265 . 0 0 "[ . 1]" 1
136 1 17 ALA MB 1 18 GLN H 3.500 . 3.500 2.555 2.449 2.663 . 0 0 "[ . 1]" 1
137 1 17 ALA MB 1 18 GLN HG2 4.220 . 4.220 3.983 3.816 4.162 . 0 0 "[ . 1]" 1
138 1 17 ALA MB 1 18 GLN HG3 4.700 . 4.700 3.276 3.136 3.404 . 0 0 "[ . 1]" 1
139 1 17 ALA MB 1 20 GLY H 4.720 . 4.720 4.698 4.509 4.787 0.067 1 0 "[ . 1]" 1
140 1 17 ALA MB 1 117 PRO HA 4.690 . 4.690 4.287 3.963 4.619 . 0 0 "[ . 1]" 1
141 1 17 ALA MB 1 120 GLN H 5.230 . 5.230 4.529 4.381 4.727 . 0 0 "[ . 1]" 1
142 1 17 ALA MB 1 121 TRP H 3.450 . 3.450 2.785 2.544 2.943 . 0 0 "[ . 1]" 1
143 1 17 ALA MB 1 121 TRP HA 3.170 . 3.170 1.959 1.886 2.071 . 0 0 "[ . 1]" 1
144 1 17 ALA MB 1 121 TRP HB2 3.600 . 3.600 2.131 1.945 2.362 . 0 0 "[ . 1]" 1
145 1 17 ALA MB 1 121 TRP HB3 4.600 . 4.600 3.486 3.333 3.656 . 0 0 "[ . 1]" 1
146 1 17 ALA MB 1 121 TRP HD1 3.540 . 3.540 2.400 2.054 2.777 . 0 0 "[ . 1]" 1
147 1 17 ALA MB 1 121 TRP HE1 4.730 . 4.730 4.560 4.318 4.856 0.126 9 0 "[ . 1]" 1
148 1 17 ALA MB 1 122 VAL H 4.830 . 4.830 4.494 4.431 4.576 . 0 0 "[ . 1]" 1
149 1 17 ALA MB 1 124 ALA MB 3.380 . 3.380 2.631 2.493 2.850 . 0 0 "[ . 1]" 1
150 1 18 GLN H 1 18 GLN HB2 3.570 . 3.570 2.432 2.400 2.476 . 0 0 "[ . 1]" 1
151 1 18 GLN H 1 18 GLN HB3 3.690 . 3.690 3.578 3.570 3.587 . 0 0 "[ . 1]" 1
152 1 18 GLN H 1 18 GLN HG2 3.730 . 3.730 3.312 3.223 3.444 . 0 0 "[ . 1]" 1
153 1 18 GLN H 1 19 ARG H 3.750 . 3.750 2.623 2.546 2.767 . 0 0 "[ . 1]" 1
154 1 18 GLN H 1 20 GLY H 4.760 . 4.760 4.134 3.836 4.308 . 0 0 "[ . 1]" 1
155 1 18 GLN H 1 21 VAL H 4.910 . 4.910 4.682 4.597 5.027 0.117 2 0 "[ . 1]" 1
156 1 18 GLN H 1 77 VAL HA 5.500 . 5.500 5.638 5.482 5.712 0.212 4 0 "[ . 1]" 1
157 1 18 GLN H 1 77 VAL MG1 4.780 . 4.780 4.521 4.357 4.652 . 0 0 "[ . 1]" 1
158 1 18 GLN H 1 121 TRP HA 5.170 . 5.170 4.950 4.776 5.060 . 0 0 "[ . 1]" 1
159 1 18 GLN H 1 121 TRP HB2 5.090 . 5.090 4.931 4.695 5.166 0.076 3 0 "[ . 1]" 1
160 1 18 GLN H 1 121 TRP HD1 4.330 . 4.330 3.541 3.451 3.656 . 0 0 "[ . 1]" 1
161 1 18 GLN H 1 124 ALA MB 5.450 . 5.450 4.874 4.644 5.045 . 0 0 "[ . 1]" 1
162 1 18 GLN HA 1 18 GLN HG2 4.000 . 4.000 2.374 2.296 2.411 . 0 0 "[ . 1]" 1
163 1 18 GLN HA 1 18 GLN HG3 3.990 . 3.990 3.078 2.954 3.152 . 0 0 "[ . 1]" 1
164 1 18 GLN HA 1 21 VAL H 3.800 . 3.800 3.369 3.242 3.552 . 0 0 "[ . 1]" 1
165 1 18 GLN HA 1 21 VAL HB 4.470 . 4.470 2.765 2.301 4.683 0.213 2 0 "[ . 1]" 1
166 1 18 GLN HA 1 21 VAL QG 3.690 . 3.690 2.522 1.903 2.773 . 0 0 "[ . 1]" 1
167 1 18 GLN HA 1 77 VAL HA 4.440 . 4.440 3.730 3.591 3.830 . 0 0 "[ . 1]" 1
168 1 18 GLN HA 1 121 TRP HD1 4.620 . 4.620 3.154 2.849 3.388 . 0 0 "[ . 1]" 1
169 1 18 GLN HB2 1 19 ARG H 3.740 . 3.740 2.540 2.323 2.639 . 0 0 "[ . 1]" 1
170 1 18 GLN HB2 1 121 TRP HE1 5.500 . 5.500 5.671 5.569 5.760 0.260 1 0 "[ . 1]" 1
171 1 18 GLN HG2 1 19 ARG H 4.820 . 4.820 4.863 4.810 4.900 0.080 3 0 "[ . 1]" 1
172 1 18 GLN HG2 1 76 ILE MG 4.840 . 4.840 3.560 2.882 3.923 . 0 0 "[ . 1]" 1
173 1 18 GLN HG2 1 77 VAL HA 4.370 . 4.370 2.611 2.498 2.801 . 0 0 "[ . 1]" 1
174 1 18 GLN HG2 1 77 VAL MG1 4.690 . 4.690 2.929 2.687 3.125 . 0 0 "[ . 1]" 1
175 1 18 GLN HG2 1 121 TRP HD1 4.410 . 4.410 2.565 2.062 2.994 . 0 0 "[ . 1]" 1
176 1 18 GLN HG2 1 121 TRP HE1 4.420 . 4.420 2.739 2.624 2.871 . 0 0 "[ . 1]" 1
177 1 18 GLN HG3 1 77 VAL HA 4.750 . 4.750 4.187 3.946 4.333 . 0 0 "[ . 1]" 1
178 1 18 GLN HG3 1 77 VAL MG1 4.570 . 4.570 4.160 3.968 4.326 . 0 0 "[ . 1]" 1
179 1 18 GLN HG3 1 121 TRP HD1 4.300 . 4.300 2.895 2.734 3.116 . 0 0 "[ . 1]" 1
180 1 18 GLN HG3 1 121 TRP HE1 4.430 . 4.430 3.723 3.489 3.860 . 0 0 "[ . 1]" 1
181 1 19 ARG H 1 19 ARG QB 2.930 . 2.930 2.264 2.071 2.467 . 0 0 "[ . 1]" 1
182 1 19 ARG H 1 19 ARG QD 4.520 . 4.520 4.183 2.501 4.672 0.152 6 0 "[ . 1]" 1
183 1 19 ARG HA 1 19 ARG QG 3.940 . 3.940 2.409 2.150 3.368 . 0 0 "[ . 1]" 1
184 1 19 ARG HA 1 22 LYS QD 3.630 . 3.630 2.603 2.002 3.161 . 0 0 "[ . 1]" 1
185 1 19 ARG HA 1 22 LYS QE 4.300 . 4.300 2.981 1.969 4.251 . 0 0 "[ . 1]" 1
186 1 19 ARG QB 1 20 GLY H 3.550 . 3.550 2.649 2.377 3.411 . 0 0 "[ . 1]" 1
187 1 19 ARG QD 1 20 GLY H 4.870 . 4.870 4.438 2.304 5.053 0.183 9 0 "[ . 1]" 1
188 1 20 GLY H 1 21 VAL H 3.830 . 3.830 2.608 2.437 2.658 . 0 0 "[ . 1]" 1
189 1 20 GLY H 1 21 VAL QG 4.170 . 4.170 4.006 3.136 4.230 0.060 1 0 "[ . 1]" 1
190 1 20 GLY H 1 23 ASN H 4.990 . 4.990 4.570 4.293 4.675 . 0 0 "[ . 1]" 1
191 1 20 GLY H 1 23 ASN QB 5.240 . 5.240 4.427 4.253 4.644 . 0 0 "[ . 1]" 1
192 1 20 GLY QA 1 21 VAL QG 5.200 . 5.200 3.832 3.436 3.999 . 0 0 "[ . 1]" 1
193 1 20 GLY QA 1 23 ASN QB 3.790 . 3.790 2.183 2.016 2.540 . 0 0 "[ . 1]" 1
194 1 20 GLY QA 1 117 PRO HB2 4.550 . 4.550 3.283 2.848 4.220 . 0 0 "[ . 1]" 1
195 1 20 GLY QA 1 117 PRO HB3 4.390 . 4.390 2.652 2.227 3.139 . 0 0 "[ . 1]" 1
196 1 20 GLY HA2 1 23 ASN HB2 5.290 . 5.290 2.563 2.048 3.261 . 0 0 "[ . 1]" 1
197 1 20 GLY HA2 1 23 ASN HB3 5.290 . 5.290 2.850 2.196 3.694 . 0 0 "[ . 1]" 1
198 1 20 GLY HA3 1 23 ASN HB2 5.290 . 5.290 4.241 3.669 4.983 . 0 0 "[ . 1]" 1
199 1 20 GLY HA3 1 23 ASN HB3 5.290 . 5.290 4.424 3.789 5.301 0.011 5 0 "[ . 1]" 1
200 1 21 VAL H 1 21 VAL HB 3.450 . 3.450 2.508 2.338 3.593 0.143 2 0 "[ . 1]" 1
201 1 21 VAL H 1 21 VAL QG 3.310 . 3.310 2.195 1.764 2.341 . 0 0 "[ . 1]" 1
202 1 21 VAL H 1 22 LYS H 3.620 . 3.620 2.822 2.605 2.879 . 0 0 "[ . 1]" 1
203 1 21 VAL H 1 24 ILE MD 4.550 . 4.550 4.261 3.716 4.486 . 0 0 "[ . 1]" 1
204 1 21 VAL H 1 76 ILE MG 5.500 . 5.500 5.199 4.709 5.544 0.044 3 0 "[ . 1]" 1
205 1 21 VAL H 1 117 PRO HB2 3.970 . 3.970 3.370 2.768 3.898 . 0 0 "[ . 1]" 1
206 1 21 VAL H 1 117 PRO HB3 4.990 . 4.990 4.002 3.212 4.801 . 0 0 "[ . 1]" 1
207 1 21 VAL H 1 121 TRP HD1 5.500 . 5.500 5.479 5.273 5.599 0.099 8 0 "[ . 1]" 1
208 1 21 VAL HA 1 24 ILE H 3.980 . 3.980 3.935 3.815 4.019 0.039 3 0 "[ . 1]" 1
209 1 21 VAL HA 1 24 ILE HB 4.470 . 4.470 3.830 3.312 4.181 . 0 0 "[ . 1]" 1
210 1 21 VAL HA 1 24 ILE MD 3.430 . 3.430 2.064 1.946 2.193 . 0 0 "[ . 1]" 1
211 1 21 VAL HA 1 24 ILE QG 4.710 . 4.710 2.897 2.584 3.261 . 0 0 "[ . 1]" 1
212 1 21 VAL HA 1 73 ILE MD 4.540 . 4.540 4.596 4.465 4.800 0.260 7 0 "[ . 1]" 1
213 1 21 VAL HA 1 73 ILE MG 4.150 . 4.150 3.712 3.294 3.946 . 0 0 "[ . 1]" 1
214 1 21 VAL HA 1 76 ILE MD 5.500 . 5.500 4.820 4.383 5.083 . 0 0 "[ . 1]" 1
215 1 21 VAL HA 1 117 PRO HB2 4.600 . 4.600 3.299 2.671 4.119 . 0 0 "[ . 1]" 1
216 1 21 VAL HB 1 76 ILE MG 4.540 . 4.540 3.582 3.197 3.890 . 0 0 "[ . 1]" 1
217 1 21 VAL QG 1 22 LYS H 3.910 . 3.910 2.768 1.987 3.000 . 0 0 "[ . 1]" 1
218 1 21 VAL QG 1 22 LYS HB3 3.650 . 3.650 3.494 2.851 3.676 0.026 7 0 "[ . 1]" 1
219 1 21 VAL QG 1 24 ILE H 4.530 . 4.530 4.314 4.204 4.578 0.048 2 0 "[ . 1]" 1
220 1 21 VAL QG 1 24 ILE MD 3.210 . 3.210 2.580 2.148 2.889 . 0 0 "[ . 1]" 1
221 1 21 VAL QG 1 72 PHE QD 4.610 . 4.610 4.485 4.103 4.753 0.143 2 0 "[ . 1]" 1
222 1 21 VAL QG 1 73 ILE HA 3.410 . 3.410 2.714 2.167 3.387 . 0 0 "[ . 1]" 1
223 1 21 VAL QG 1 76 ILE HB 3.560 . 3.560 2.197 1.936 2.798 . 0 0 "[ . 1]" 1
224 1 21 VAL QG 1 76 ILE MD 3.320 . 3.320 2.267 1.931 2.486 . 0 0 "[ . 1]" 1
225 1 21 VAL QG 1 117 PRO HA 5.440 . 5.440 4.529 3.772 5.423 . 0 0 "[ . 1]" 1
226 1 21 VAL QG 1 117 PRO HB2 4.050 . 4.050 2.690 2.185 3.643 . 0 0 "[ . 1]" 1
227 1 21 VAL QG 1 118 LEU HA 4.510 . 4.510 3.063 2.614 3.578 . 0 0 "[ . 1]" 1
228 1 21 VAL QG 1 118 LEU QD 3.560 . 3.560 1.903 1.766 2.141 . 0 0 "[ . 1]" 1
229 1 21 VAL QG 1 121 TRP HD1 3.970 . 3.970 3.140 2.817 3.417 . 0 0 "[ . 1]" 1
230 1 21 VAL MG1 1 76 ILE MD 3.890 . 3.890 2.488 1.989 3.552 . 0 0 "[ . 1]" 1
231 1 21 VAL MG1 1 76 ILE MG 3.360 . 3.360 2.252 2.048 2.520 . 0 0 "[ . 1]" 1
232 1 21 VAL MG2 1 76 ILE MD 3.890 . 3.890 3.007 2.028 3.590 . 0 0 "[ . 1]" 1
233 1 21 VAL MG2 1 76 ILE MG 3.360 . 3.360 2.369 1.996 2.631 . 0 0 "[ . 1]" 1
234 1 22 LYS H 1 22 LYS QG 3.420 . 3.420 2.065 1.906 2.596 . 0 0 "[ . 1]" 1
235 1 22 LYS H 1 23 ASN H 3.490 . 3.490 2.447 2.363 2.490 . 0 0 "[ . 1]" 1
236 1 22 LYS H 1 24 ILE H 4.310 . 4.310 4.009 3.798 4.081 . 0 0 "[ . 1]" 1
237 1 22 LYS H 1 24 ILE MD 4.770 . 4.770 4.708 4.566 4.806 0.036 5 0 "[ . 1]" 1
238 1 22 LYS H 1 77 VAL MG1 4.520 . 4.520 2.841 2.681 3.167 . 0 0 "[ . 1]" 1
239 1 22 LYS HA 1 22 LYS HG2 3.950 . 3.950 3.738 3.635 3.819 . 0 0 "[ . 1]" 1
240 1 22 LYS HA 1 22 LYS HG3 3.950 . 3.950 3.663 3.565 3.751 . 0 0 "[ . 1]" 1
241 1 22 LYS HA 1 73 ILE MD 4.470 . 4.470 2.439 2.194 3.118 . 0 0 "[ . 1]" 1
242 1 22 LYS HA 1 73 ILE HG13 3.530 . 3.530 3.081 2.521 3.512 . 0 0 "[ . 1]" 1
243 1 22 LYS HA 1 73 ILE MG 3.720 . 3.720 3.845 3.776 3.910 0.190 1 0 "[ . 1]" 1
244 1 22 LYS HA 1 77 VAL MG1 4.170 . 4.170 3.586 3.273 3.959 . 0 0 "[ . 1]" 1
245 1 22 LYS HB3 1 77 VAL MG2 3.790 . 3.790 3.040 2.741 3.598 . 0 0 "[ . 1]" 1
246 1 22 LYS QE 1 77 VAL MG1 4.370 . 4.370 3.632 2.123 4.577 0.207 8 0 "[ . 1]" 1
247 1 22 LYS HG2 1 77 VAL MG1 4.450 . 4.450 3.342 3.049 4.202 . 0 0 "[ . 1]" 1
248 1 22 LYS HG3 1 77 VAL MG1 4.450 . 4.450 4.459 4.300 4.694 0.244 4 0 "[ . 1]" 1
249 1 23 ASN H 1 23 ASN HB2 3.240 . 3.240 2.363 2.106 2.670 . 0 0 "[ . 1]" 1
250 1 23 ASN H 1 23 ASN HB3 3.240 . 3.240 2.974 2.428 3.546 0.306 5 0 "[ . 1]" 1
251 1 23 ASN H 1 24 ILE H 3.420 . 3.420 2.594 2.521 2.701 . 0 0 "[ . 1]" 1
252 1 23 ASN H 1 24 ILE MD 5.010 . 5.010 4.701 4.647 4.786 . 0 0 "[ . 1]" 1
253 1 23 ASN H 1 77 VAL MG1 5.500 . 5.500 4.813 4.697 4.961 . 0 0 "[ . 1]" 1
254 1 23 ASN HB2 1 24 ILE H 4.230 . 4.230 4.006 3.547 4.349 0.119 2 0 "[ . 1]" 1
255 1 23 ASN HB3 1 24 ILE H 4.230 . 4.230 3.729 3.445 4.183 . 0 0 "[ . 1]" 1
256 1 24 ILE H 1 24 ILE HB 3.210 . 3.210 2.361 2.307 2.420 . 0 0 "[ . 1]" 1
257 1 24 ILE H 1 24 ILE MD 3.440 . 3.440 3.473 3.428 3.539 0.099 2 0 "[ . 1]" 1
258 1 24 ILE H 1 25 LYS H 4.800 . 4.800 4.517 4.495 4.544 . 0 0 "[ . 1]" 1
259 1 24 ILE HA 1 24 ILE MD 3.990 . 3.990 3.810 3.791 3.826 . 0 0 "[ . 1]" 1
260 1 24 ILE HA 1 25 LYS H 3.300 . 3.300 2.158 2.141 2.184 . 0 0 "[ . 1]" 1
261 1 24 ILE HA 1 114 ALA MB 4.270 . 4.270 3.927 3.598 4.289 0.019 2 0 "[ . 1]" 1
262 1 24 ILE HB 1 24 ILE MD 3.310 . 3.310 2.227 2.151 2.338 . 0 0 "[ . 1]" 1
263 1 24 ILE HB 1 25 LYS H 4.620 . 4.620 4.240 4.096 4.301 . 0 0 "[ . 1]" 1
264 1 24 ILE MD 1 72 PHE QD 5.070 . 5.070 4.861 4.396 5.190 0.120 10 0 "[ . 1]" 1
265 1 24 ILE MD 1 73 ILE HA 5.380 . 5.380 4.972 4.650 5.346 . 0 0 "[ . 1]" 1
266 1 24 ILE MD 1 73 ILE MG 3.040 . 3.040 2.494 2.096 3.044 0.004 2 0 "[ . 1]" 1
267 1 24 ILE MD 1 76 ILE MD 5.360 . 5.360 4.324 4.078 4.791 . 0 0 "[ . 1]" 1
268 1 24 ILE MD 1 76 ILE MG 5.500 . 5.500 5.175 4.932 5.521 0.021 10 0 "[ . 1]" 1
269 1 24 ILE MD 1 114 ALA HA 3.570 . 3.570 2.706 2.253 3.173 . 0 0 "[ . 1]" 1
270 1 24 ILE MD 1 114 ALA MB 3.410 . 3.410 2.260 2.021 2.590 . 0 0 "[ . 1]" 1
271 1 24 ILE MD 1 116 GLY H 5.050 . 5.050 5.059 4.688 5.238 0.188 9 0 "[ . 1]" 1
272 1 24 ILE MD 1 117 PRO HA 5.500 . 5.500 5.434 5.214 5.658 0.158 3 0 "[ . 1]" 1
273 1 24 ILE MD 1 117 PRO HB2 3.970 . 3.970 3.298 2.665 3.629 . 0 0 "[ . 1]" 1
274 1 24 ILE MD 1 117 PRO HD2 4.590 . 4.590 3.738 3.300 4.155 . 0 0 "[ . 1]" 1
275 1 24 ILE MD 1 118 LEU H 4.720 . 4.720 4.155 3.983 4.414 . 0 0 "[ . 1]" 1
276 1 24 ILE MD 1 118 LEU QD 3.540 . 3.540 2.150 1.862 2.479 . 0 0 "[ . 1]" 1
277 1 24 ILE QG 1 73 ILE MG 4.680 . 4.680 3.978 3.614 4.430 . 0 0 "[ . 1]" 1
278 1 24 ILE QG 1 114 ALA HA 4.900 . 4.900 2.444 2.232 2.822 . 0 0 "[ . 1]" 1
279 1 24 ILE MG 1 25 LYS H 3.370 . 3.370 2.576 2.311 2.763 . 0 0 "[ . 1]" 1
280 1 24 ILE MG 1 28 GLN H 3.970 . 3.970 3.759 3.549 4.312 0.342 5 0 "[ . 1]" 1
281 1 24 ILE MG 1 28 GLN HB2 3.350 . 3.350 1.987 1.912 2.170 . 0 0 "[ . 1]" 1
282 1 24 ILE MG 1 28 GLN HG2 4.740 . 4.740 3.503 2.300 4.236 . 0 0 "[ . 1]" 1
283 1 24 ILE MG 1 28 GLN QG 4.020 . 4.020 2.865 2.273 3.555 . 0 0 "[ . 1]" 1
284 1 24 ILE MG 1 28 GLN HG3 4.740 . 4.740 3.246 2.380 3.982 . 0 0 "[ . 1]" 1
285 1 24 ILE MG 1 29 LEU H 3.980 . 3.980 3.409 3.191 3.769 . 0 0 "[ . 1]" 1
286 1 24 ILE MG 1 73 ILE HB 5.500 . 5.500 5.186 4.966 5.443 . 0 0 "[ . 1]" 1
287 1 24 ILE MG 1 73 ILE MD 3.810 . 3.810 3.221 2.983 3.776 . 0 0 "[ . 1]" 1
288 1 24 ILE MG 1 73 ILE MG 3.400 . 3.400 3.103 2.856 3.423 0.023 2 0 "[ . 1]" 1
289 1 24 ILE MG 1 114 ALA H 4.640 . 4.640 4.658 4.500 4.747 0.107 10 0 "[ . 1]" 1
290 1 24 ILE MG 1 114 ALA MB 2.810 . 2.810 1.859 1.787 1.953 . 0 0 "[ . 1]" 1
291 1 25 LYS H 1 28 GLN H 4.570 . 4.570 4.035 3.771 4.414 . 0 0 "[ . 1]" 1
292 1 25 LYS H 1 28 GLN HB2 4.230 . 4.230 3.148 2.216 3.783 . 0 0 "[ . 1]" 1
293 1 25 LYS H 1 28 GLN HB3 4.990 . 4.990 4.398 3.340 5.071 0.081 2 0 "[ . 1]" 1
294 1 25 LYS H 1 73 ILE MD 5.430 . 5.430 5.109 4.506 5.599 0.169 7 0 "[ . 1]" 1
295 1 25 LYS H 1 114 ALA MB 4.750 . 4.750 4.383 4.161 4.721 . 0 0 "[ . 1]" 1
296 1 27 GLN QB 1 28 GLN H 3.630 . 3.630 2.889 2.558 3.825 0.195 5 0 "[ . 1]" 1
297 1 28 GLN H 1 28 GLN HB2 3.210 . 3.210 2.391 2.142 2.490 . 0 0 "[ . 1]" 1
298 1 28 GLN H 1 28 GLN HB3 3.600 . 3.600 3.566 3.430 3.609 0.009 4 0 "[ . 1]" 1
299 1 28 GLN H 1 29 LEU H 3.610 . 3.610 2.573 2.481 2.811 . 0 0 "[ . 1]" 1
300 1 28 GLN H 1 30 THR H 4.670 . 4.670 4.005 3.833 4.176 . 0 0 "[ . 1]" 1
301 1 28 GLN H 1 114 ALA MB 4.970 . 4.970 4.728 4.605 4.877 . 0 0 "[ . 1]" 1
302 1 28 GLN HA 1 28 GLN HG2 4.000 . 4.000 2.823 2.259 3.527 . 0 0 "[ . 1]" 1
303 1 28 GLN HA 1 28 GLN QG 3.450 . 3.450 2.506 2.096 2.895 . 0 0 "[ . 1]" 1
304 1 28 GLN HA 1 28 GLN HG3 4.000 . 4.000 3.175 2.115 3.688 . 0 0 "[ . 1]" 1
305 1 28 GLN HA 1 114 ALA MB 4.350 . 4.350 3.753 3.552 3.866 . 0 0 "[ . 1]" 1
306 1 28 GLN HB2 1 28 GLN QG 2.590 . 2.590 2.283 2.200 2.485 . 0 0 "[ . 1]" 1
307 1 28 GLN HB2 1 29 LEU H 3.710 . 3.710 2.724 2.430 3.033 . 0 0 "[ . 1]" 1
308 1 28 GLN HB2 1 29 LEU MD1 5.360 . 5.360 4.596 4.031 4.967 . 0 0 "[ . 1]" 1
309 1 28 GLN HB2 1 29 LEU QD 3.830 . 3.830 3.714 2.487 3.953 0.123 4 0 "[ . 1]" 1
310 1 28 GLN HB2 1 29 LEU MD2 5.360 . 5.360 4.027 2.493 4.611 . 0 0 "[ . 1]" 1
311 1 28 GLN HB2 1 73 ILE MD 5.500 . 5.500 5.518 5.046 5.703 0.203 2 0 "[ . 1]" 1
312 1 28 GLN HB2 1 114 ALA H 5.430 . 5.430 5.508 5.163 5.669 0.239 5 0 "[ . 1]" 1
313 1 28 GLN HB2 1 114 ALA HA 5.500 . 5.500 5.100 4.871 5.365 . 0 0 "[ . 1]" 1
314 1 28 GLN HB2 1 114 ALA MB 3.440 . 3.440 2.832 2.641 3.130 . 0 0 "[ . 1]" 1
315 1 28 GLN HB3 1 114 ALA HA 4.880 . 4.880 4.130 3.720 4.536 . 0 0 "[ . 1]" 1
316 1 28 GLN HB3 1 114 ALA MB 3.660 . 3.660 1.930 1.880 2.001 . 0 0 "[ . 1]" 1
317 1 28 GLN QG 1 114 ALA HA 5.340 . 5.340 4.598 3.722 5.241 . 0 0 "[ . 1]" 1
318 1 28 GLN HG2 1 114 ALA MB 4.660 . 4.660 3.635 2.060 4.333 . 0 0 "[ . 1]" 1
319 1 28 GLN HG3 1 114 ALA MB 4.660 . 4.660 3.502 2.315 4.683 0.023 5 0 "[ . 1]" 1
320 1 29 LEU H 1 29 LEU HB2 3.330 . 3.330 2.419 2.209 2.507 . 0 0 "[ . 1]" 1
321 1 29 LEU H 1 29 LEU HB3 3.780 . 3.780 3.609 3.523 3.634 . 0 0 "[ . 1]" 1
322 1 29 LEU H 1 29 LEU QD 4.360 . 4.360 3.032 2.107 3.221 . 0 0 "[ . 1]" 1
323 1 29 LEU H 1 30 THR H 3.510 . 3.510 2.459 2.278 2.560 . 0 0 "[ . 1]" 1
324 1 29 LEU HA 1 29 LEU QD 4.000 . 4.000 1.997 1.784 2.039 . 0 0 "[ . 1]" 1
325 1 29 LEU HA 1 67 ILE MD 4.730 . 4.730 4.032 3.582 4.404 . 0 0 "[ . 1]" 1
326 1 29 LEU HA 1 67 ILE MG 5.500 . 5.500 5.142 4.944 5.580 0.080 5 0 "[ . 1]" 1
327 1 29 LEU HB2 1 29 LEU MD1 3.370 . 3.370 2.365 2.216 3.184 . 0 0 "[ . 1]" 1
328 1 29 LEU HB2 1 29 LEU QD 2.950 . 2.950 2.243 2.177 2.385 . 0 0 "[ . 1]" 1
329 1 29 LEU HB2 1 29 LEU MD2 3.370 . 3.370 3.118 2.463 3.204 . 0 0 "[ . 1]" 1
330 1 29 LEU HB2 1 30 THR H 3.530 . 3.530 2.693 2.569 2.888 . 0 0 "[ . 1]" 1
331 1 29 LEU HB3 1 29 LEU QD 2.870 . 2.870 2.088 2.059 2.219 . 0 0 "[ . 1]" 1
332 1 29 LEU HB3 1 30 THR H 3.860 . 3.860 3.643 3.195 3.855 . 0 0 "[ . 1]" 1
333 1 29 LEU HB3 1 67 ILE MG 4.490 . 4.490 4.759 4.602 4.855 0.365 7 0 "[ . 1]" 1
334 1 29 LEU QD 1 67 ILE HA 3.910 . 3.910 3.696 3.411 3.915 0.005 6 0 "[ . 1]" 1
335 1 29 LEU QD 1 67 ILE MG 3.900 . 3.900 3.221 2.676 3.420 . 0 0 "[ . 1]" 1
336 1 29 LEU QD 1 72 PHE H 5.130 . 5.130 4.024 3.476 4.619 . 0 0 "[ . 1]" 1
337 1 29 LEU QD 1 72 PHE HB2 4.270 . 4.270 3.975 3.528 4.338 0.068 5 0 "[ . 1]" 1
338 1 29 LEU QD 1 72 PHE QD 3.230 . 3.230 2.339 2.092 2.801 . 0 0 "[ . 1]" 1
339 1 29 LEU QD 1 73 ILE HA 5.260 . 5.260 4.467 4.282 4.745 . 0 0 "[ . 1]" 1
340 1 29 LEU QD 1 73 ILE HB 5.440 . 5.440 4.343 4.143 4.563 . 0 0 "[ . 1]" 1
341 1 29 LEU QD 1 73 ILE MD 3.360 . 3.360 2.338 1.997 2.895 . 0 0 "[ . 1]" 1
342 1 29 LEU QD 1 73 ILE MG 3.380 . 3.380 2.063 1.906 2.339 . 0 0 "[ . 1]" 1
343 1 29 LEU MD1 1 72 PHE QD 3.710 . 3.710 2.687 2.109 3.334 . 0 0 "[ . 1]" 1
344 1 29 LEU MD1 1 73 ILE MD 4.050 . 4.050 2.476 2.011 4.108 0.058 10 0 "[ . 1]" 1
345 1 29 LEU MD2 1 72 PHE QD 3.710 . 3.710 2.722 2.311 3.479 . 0 0 "[ . 1]" 1
346 1 29 LEU MD2 1 73 ILE MD 4.050 . 4.050 3.701 2.959 4.169 0.119 5 0 "[ . 1]" 1
347 1 29 LEU HG 1 67 ILE HB 5.500 . 5.500 5.476 4.749 5.614 0.114 5 0 "[ . 1]" 1
348 1 30 THR H 1 30 THR HB 3.380 . 3.380 2.542 2.493 2.688 . 0 0 "[ . 1]" 1
349 1 30 THR H 1 30 THR MG 3.970 . 3.970 3.755 3.736 3.766 . 0 0 "[ . 1]" 1
350 1 30 THR H 1 31 GLU H 3.940 . 3.940 2.681 2.634 2.741 . 0 0 "[ . 1]" 1
351 1 30 THR H 1 31 GLU QG 4.630 . 4.630 4.256 3.687 4.530 . 0 0 "[ . 1]" 1
352 1 30 THR H 1 32 ILE H 5.080 . 5.080 4.115 3.974 4.226 . 0 0 "[ . 1]" 1
353 1 30 THR H 1 33 ARG QD 5.500 . 5.500 4.943 4.532 5.839 0.339 10 0 "[ . 1]" 1
354 1 30 THR HA 1 30 THR MG 3.140 . 3.140 2.331 2.290 2.368 . 0 0 "[ . 1]" 1
355 1 30 THR HA 1 33 ARG QB 3.950 . 3.950 3.108 2.363 3.906 . 0 0 "[ . 1]" 1
356 1 30 THR HA 1 33 ARG QD 3.780 . 3.780 2.680 2.114 3.716 . 0 0 "[ . 1]" 1
357 1 30 THR HB 1 31 GLU H 3.330 . 3.330 2.646 2.583 2.760 . 0 0 "[ . 1]" 1
358 1 30 THR HB 1 31 GLU QG 4.650 . 4.650 3.581 3.147 4.317 . 0 0 "[ . 1]" 1
359 1 30 THR MG 1 31 GLU H 4.240 . 4.240 3.508 3.404 3.711 . 0 0 "[ . 1]" 1
360 1 30 THR MG 1 31 GLU HA 4.310 . 4.310 3.522 3.425 3.830 . 0 0 "[ . 1]" 1
361 1 31 GLU H 1 31 GLU QG 3.390 . 3.390 2.252 1.890 2.479 . 0 0 "[ . 1]" 1
362 1 31 GLU H 1 32 ILE H 3.570 . 3.570 2.594 2.526 2.644 . 0 0 "[ . 1]" 1
363 1 31 GLU H 1 32 ILE QG 4.600 . 4.600 4.280 3.935 4.357 . 0 0 "[ . 1]" 1
364 1 31 GLU QG 1 32 ILE H 4.490 . 4.490 3.519 1.885 4.179 . 0 0 "[ . 1]" 1
365 1 32 ILE H 1 32 ILE QG 3.530 . 3.530 2.291 2.050 2.423 . 0 0 "[ . 1]" 1
366 1 32 ILE H 1 33 ARG H 3.730 . 3.730 2.569 2.492 2.651 . 0 0 "[ . 1]" 1
367 1 32 ILE H 1 33 ARG QD 5.500 . 5.500 5.597 5.388 5.848 0.348 7 0 "[ . 1]" 1
368 1 32 ILE H 1 34 SER H 4.290 . 4.290 3.807 3.727 3.872 . 0 0 "[ . 1]" 1
369 1 32 ILE H 1 35 MET QG 4.660 . 4.660 4.525 4.309 4.633 . 0 0 "[ . 1]" 1
370 1 32 ILE HA 1 32 ILE QG 3.630 . 3.630 2.359 2.328 2.433 . 0 0 "[ . 1]" 1
371 1 32 ILE HA 1 32 ILE MG 3.340 . 3.340 2.388 2.337 2.435 . 0 0 "[ . 1]" 1
372 1 32 ILE HA 1 34 SER H 4.010 . 4.010 4.090 3.953 4.228 0.218 7 0 "[ . 1]" 1
373 1 32 ILE HA 1 35 MET H 3.940 . 3.940 3.513 3.257 3.656 . 0 0 "[ . 1]" 1
374 1 32 ILE HA 1 35 MET ME 3.070 . 3.070 2.361 2.030 2.866 . 0 0 "[ . 1]" 1
375 1 32 ILE HA 1 35 MET HG2 4.240 . 4.240 4.070 2.172 4.405 0.165 4 0 "[ . 1]" 1
376 1 32 ILE HA 1 35 MET QG 3.510 . 3.510 2.507 2.143 2.670 . 0 0 "[ . 1]" 1
377 1 32 ILE HA 1 35 MET HG3 4.240 . 4.240 2.639 2.444 3.284 . 0 0 "[ . 1]" 1
378 1 32 ILE HB 1 67 ILE HB 4.890 . 4.890 4.782 4.444 4.976 0.086 8 0 "[ . 1]" 1
379 1 32 ILE HB 1 67 ILE MD 3.350 . 3.350 3.030 2.715 3.303 . 0 0 "[ . 1]" 1
380 1 32 ILE MD 1 42 VAL HA 5.130 . 5.130 5.161 5.012 5.267 0.137 4 0 "[ . 1]" 1
381 1 32 ILE MD 1 67 ILE MD 4.090 . 4.090 3.766 3.203 4.215 0.125 10 0 "[ . 1]" 1
382 1 32 ILE QG 1 35 MET ME 3.470 . 3.470 2.823 2.328 3.306 . 0 0 "[ . 1]" 1
383 1 32 ILE QG 1 67 ILE MD 4.900 . 4.900 4.596 4.329 4.862 . 0 0 "[ . 1]" 1
384 1 32 ILE MG 1 34 SER H 5.060 . 5.060 4.752 4.631 4.900 . 0 0 "[ . 1]" 1
385 1 32 ILE MG 1 35 MET H 4.300 . 4.300 4.575 4.381 4.713 0.413 4 0 "[ . 1]" 1
386 1 32 ILE MG 1 35 MET QG 4.210 . 4.210 3.976 3.021 4.202 . 0 0 "[ . 1]" 1
387 1 32 ILE MG 1 42 VAL HA 4.430 . 4.430 4.596 4.467 4.688 0.258 1 0 "[ . 1]" 1
388 1 32 ILE MG 1 46 MET QG 3.780 . 3.780 3.346 2.744 3.746 . 0 0 "[ . 1]" 1
389 1 32 ILE MG 1 60 TRP HH2 3.910 . 3.910 2.063 1.819 2.481 . 0 0 "[ . 1]" 1
390 1 32 ILE MG 1 60 TRP HZ3 3.980 . 3.980 3.531 2.960 4.142 0.162 10 0 "[ . 1]" 1
391 1 32 ILE MG 1 67 ILE MD 3.280 . 3.280 2.299 2.036 2.542 . 0 0 "[ . 1]" 1
392 1 33 ARG H 1 33 ARG QB 3.130 . 3.130 2.288 2.175 2.742 . 0 0 "[ . 1]" 1
393 1 33 ARG H 1 34 SER H 3.710 . 3.710 2.448 2.389 2.534 . 0 0 "[ . 1]" 1
394 1 33 ARG H 1 35 MET H 4.510 . 4.510 4.084 3.920 4.214 . 0 0 "[ . 1]" 1
395 1 33 ARG H 1 67 ILE MD 4.010 . 4.010 3.308 2.921 3.816 . 0 0 "[ . 1]" 1
396 1 33 ARG H 1 67 ILE QG 5.270 . 5.270 4.593 4.189 5.036 . 0 0 "[ . 1]" 1
397 1 33 ARG HA 1 33 ARG QD 4.620 . 4.620 4.098 3.761 4.299 . 0 0 "[ . 1]" 1
398 1 33 ARG HA 1 60 TRP HZ3 5.160 . 5.160 4.913 4.499 5.150 . 0 0 "[ . 1]" 1
399 1 33 ARG HA 1 64 GLN QG 4.330 . 4.330 2.120 1.946 2.367 . 0 0 "[ . 1]" 1
400 1 33 ARG HA 1 67 ILE MD 3.780 . 3.780 2.406 1.988 3.079 . 0 0 "[ . 1]" 1
401 1 33 ARG HA 1 67 ILE QG 4.170 . 4.170 3.853 3.223 4.332 0.162 5 0 "[ . 1]" 1
402 1 33 ARG QB 1 34 SER H 3.880 . 3.880 3.268 2.778 3.623 . 0 0 "[ . 1]" 1
403 1 33 ARG QD 1 65 GLN HA 4.570 . 4.570 4.719 4.574 4.889 0.319 3 0 "[ . 1]" 1
404 1 33 ARG QD 1 68 ARG HA 3.690 . 3.690 2.670 1.996 3.752 0.062 7 0 "[ . 1]" 1
405 1 33 ARG QD 1 68 ARG HB2 4.440 . 4.440 2.991 2.253 4.393 . 0 0 "[ . 1]" 1
406 1 33 ARG QD 1 68 ARG QB 3.590 . 3.590 2.896 2.235 3.839 0.249 6 0 "[ . 1]" 1
407 1 33 ARG QD 1 68 ARG HB3 4.440 . 4.440 4.207 3.723 4.682 0.242 10 0 "[ . 1]" 1
408 1 33 ARG QD 1 68 ARG QG 2.980 . 2.980 2.468 1.892 2.884 . 0 0 "[ . 1]" 1
409 1 33 ARG QG 1 67 ILE MD 4.250 . 4.250 3.473 1.929 4.315 0.065 6 0 "[ . 1]" 1
410 1 34 SER H 1 34 SER QB 3.140 . 3.140 2.343 2.260 2.579 . 0 0 "[ . 1]" 1
411 1 34 SER H 1 35 MET QG 5.110 . 5.110 4.092 3.553 4.492 . 0 0 "[ . 1]" 1
412 1 34 SER QB 1 35 MET H 3.680 . 3.680 2.812 2.544 3.601 . 0 0 "[ . 1]" 1
413 1 35 MET H 1 35 MET HB2 3.750 . 3.750 2.535 2.202 3.605 . 0 0 "[ . 1]" 1
414 1 35 MET H 1 35 MET QB 3.190 . 3.190 2.409 2.180 2.692 . 0 0 "[ . 1]" 1
415 1 35 MET H 1 35 MET HB3 3.750 . 3.750 3.487 2.778 3.602 . 0 0 "[ . 1]" 1
416 1 35 MET H 1 35 MET ME 4.700 . 4.700 4.035 3.466 4.482 . 0 0 "[ . 1]" 1
417 1 35 MET H 1 35 MET HG2 3.510 . 3.510 2.898 1.889 3.519 0.009 10 0 "[ . 1]" 1
418 1 35 MET H 1 35 MET HG3 3.510 . 3.510 2.580 2.045 3.029 . 0 0 "[ . 1]" 1
419 1 35 MET H 1 60 TRP HH2 5.130 . 5.130 5.127 4.813 5.319 0.189 3 0 "[ . 1]" 1
420 1 35 MET HA 1 35 MET HG2 3.840 . 3.840 2.367 2.041 3.711 . 0 0 "[ . 1]" 1
421 1 35 MET HA 1 35 MET QG 3.220 . 3.220 2.295 2.020 3.282 0.062 5 0 "[ . 1]" 1
422 1 35 MET HA 1 35 MET HG3 3.840 . 3.840 3.349 3.065 3.659 . 0 0 "[ . 1]" 1
423 1 35 MET QB 1 36 VAL H 4.240 . 4.240 3.498 3.384 3.679 . 0 0 "[ . 1]" 1
424 1 35 MET HB2 1 36 VAL H 4.850 . 4.850 4.355 3.715 4.522 . 0 0 "[ . 1]" 1
425 1 35 MET HB3 1 36 VAL H 4.850 . 4.850 3.733 3.507 4.341 . 0 0 "[ . 1]" 1
426 1 35 MET ME 1 35 MET HG2 3.360 . 3.360 3.045 2.057 3.332 . 0 0 "[ . 1]" 1
427 1 35 MET ME 1 35 MET QG 2.880 . 2.880 2.115 2.036 2.303 . 0 0 "[ . 1]" 1
428 1 35 MET ME 1 35 MET HG3 3.360 . 3.360 2.271 2.064 3.260 . 0 0 "[ . 1]" 1
429 1 35 MET ME 1 42 VAL QG 2.860 . 2.860 2.378 2.003 2.800 . 0 0 "[ . 1]" 1
430 1 35 MET ME 1 112 SER H 5.340 . 5.340 5.413 4.914 5.683 0.343 10 0 "[ . 1]" 1
431 1 35 MET ME 1 112 SER QB 3.230 . 3.230 3.012 2.755 3.412 0.182 5 0 "[ . 1]" 1
432 1 35 MET QG 1 36 VAL H 5.340 . 5.340 4.111 3.648 4.354 . 0 0 "[ . 1]" 1
433 1 35 MET QG 1 38 PRO HA 5.340 . 5.340 4.504 3.706 4.930 . 0 0 "[ . 1]" 1
434 1 35 MET QG 1 42 VAL QG 4.560 . 4.560 4.264 3.719 4.615 0.055 7 0 "[ . 1]" 1
435 1 36 VAL H 1 36 VAL QG 3.610 . 3.610 2.025 1.775 2.247 . 0 0 "[ . 1]" 1
436 1 36 VAL HA 1 36 VAL MG1 3.200 . 3.200 2.619 2.326 3.186 . 0 0 "[ . 1]" 1
437 1 36 VAL HA 1 36 VAL QG 2.760 . 2.760 2.210 2.072 2.334 . 0 0 "[ . 1]" 1
438 1 36 VAL HA 1 36 VAL MG2 3.200 . 3.200 2.641 2.187 3.195 . 0 0 "[ . 1]" 1
439 1 36 VAL HA 1 37 ASN QB 5.310 . 5.310 5.067 4.821 5.395 0.085 4 0 "[ . 1]" 1
440 1 36 VAL HA 1 60 TRP HD1 4.580 . 4.580 3.822 3.487 4.195 . 0 0 "[ . 1]" 1
441 1 36 VAL HA 1 60 TRP HE1 3.740 . 3.740 2.523 1.924 3.095 . 0 0 "[ . 1]" 1
442 1 36 VAL QG 1 37 ASN H 3.510 . 3.510 2.458 2.063 3.212 . 0 0 "[ . 1]" 1
443 1 36 VAL QG 1 37 ASN HA 4.390 . 4.390 3.537 3.323 3.727 . 0 0 "[ . 1]" 1
444 1 36 VAL QG 1 37 ASN QB 3.450 . 3.450 2.734 2.285 3.552 0.102 6 0 "[ . 1]" 1
445 1 36 VAL QG 1 60 TRP HD1 4.870 . 4.870 4.281 3.655 4.898 0.028 10 0 "[ . 1]" 1
446 1 36 VAL QG 1 60 TRP HE1 4.190 . 4.190 3.906 3.687 4.290 0.100 8 0 "[ . 1]" 1
447 1 37 ASN HA 1 38 PRO HD2 3.680 . 3.680 1.999 1.920 2.067 . 0 0 "[ . 1]" 1
448 1 37 ASN HA 1 38 PRO QD 3.160 . 3.160 1.951 1.892 1.988 . 0 0 "[ . 1]" 1
449 1 37 ASN HA 1 38 PRO HD3 3.680 . 3.680 2.775 2.410 2.997 . 0 0 "[ . 1]" 1
450 1 37 ASN HA 1 38 PRO HG2 4.900 . 4.900 4.148 4.036 4.275 . 0 0 "[ . 1]" 1
451 1 37 ASN HA 1 38 PRO HG3 4.840 . 4.840 4.544 4.421 4.608 . 0 0 "[ . 1]" 1
452 1 37 ASN HA 1 60 TRP HE1 4.820 . 4.820 4.377 4.044 4.767 . 0 0 "[ . 1]" 1
453 1 38 PRO HA 1 39 PRO QB 5.230 . 5.230 4.639 4.587 4.721 . 0 0 "[ . 1]" 1
454 1 38 PRO HA 1 39 PRO HG2 4.460 . 4.460 4.410 4.301 4.508 0.048 3 0 "[ . 1]" 1
455 1 38 PRO HA 1 39 PRO HG3 4.740 . 4.740 4.408 4.372 4.479 . 0 0 "[ . 1]" 1
456 1 38 PRO HA 1 42 VAL H 5.500 . 5.500 5.508 5.359 5.617 0.117 3 0 "[ . 1]" 1
457 1 38 PRO HA 1 42 VAL HB 5.090 . 5.090 3.939 3.483 5.456 0.366 9 0 "[ . 1]" 1
458 1 38 PRO HA 1 42 VAL MG1 4.510 . 4.510 3.921 3.218 4.289 . 0 0 "[ . 1]" 1
459 1 38 PRO HA 1 42 VAL QG 3.870 . 3.870 3.465 2.951 3.788 . 0 0 "[ . 1]" 1
460 1 38 PRO HA 1 42 VAL MG2 4.510 . 4.510 3.873 3.431 4.219 . 0 0 "[ . 1]" 1
461 1 38 PRO HA 1 43 LYS H 5.500 . 5.500 5.408 5.178 5.682 0.182 5 0 "[ . 1]" 1
462 1 38 PRO HA 1 60 TRP HE1 5.500 . 5.500 5.602 5.402 5.755 0.255 9 0 "[ . 1]" 1
463 1 38 PRO QB 1 42 VAL H 3.950 . 3.950 3.858 3.783 3.909 . 0 0 "[ . 1]" 1
464 1 38 PRO QB 1 42 VAL QG 3.080 . 3.080 2.411 1.703 2.682 . 0 0 "[ . 1]" 1
465 1 38 PRO QB 1 43 LYS H 3.330 . 3.330 2.839 2.666 3.079 . 0 0 "[ . 1]" 1
466 1 38 PRO QB 1 43 LYS HG2 3.320 . 3.320 2.596 2.395 3.070 . 0 0 "[ . 1]" 1
467 1 38 PRO QB 1 60 TRP HE1 5.340 . 5.340 4.699 4.523 4.905 . 0 0 "[ . 1]" 1
468 1 38 PRO HB2 1 42 VAL HA 5.500 . 5.500 5.169 5.026 5.482 . 0 0 "[ . 1]" 1
469 1 38 PRO HB2 1 43 LYS HG2 4.080 . 4.080 2.629 2.410 3.165 . 0 0 "[ . 1]" 1
470 1 38 PRO HB3 1 42 VAL HA 5.500 . 5.500 5.672 5.582 5.785 0.285 1 0 "[ . 1]" 1
471 1 38 PRO HB3 1 43 LYS HG2 4.080 . 4.080 4.180 4.120 4.278 0.198 10 0 "[ . 1]" 1
472 1 38 PRO QD 1 43 LYS HG2 4.850 . 4.850 4.701 4.062 5.054 0.204 9 0 "[ . 1]" 1
473 1 38 PRO HG3 1 43 LYS HA 5.240 . 5.240 4.388 4.087 4.682 . 0 0 "[ . 1]" 1
474 1 38 PRO HG3 1 43 LYS QB 4.950 . 4.950 3.424 2.819 4.852 . 0 0 "[ . 1]" 1
475 1 38 PRO HG3 1 43 LYS HG2 4.070 . 4.070 3.844 2.888 4.140 0.070 3 0 "[ . 1]" 1
476 1 38 PRO HG3 1 60 TRP HE1 4.660 . 4.660 4.052 3.502 4.708 0.048 2 0 "[ . 1]" 1
477 1 38 PRO HG3 1 60 TRP HZ3 5.490 . 5.490 4.293 3.790 4.763 . 0 0 "[ . 1]" 1
478 1 39 PRO HA 1 42 VAL H 5.500 . 5.500 5.263 5.067 5.960 0.460 9 0 "[ . 1]" 1
479 1 39 PRO HA 1 42 VAL QG 5.440 . 5.440 4.928 4.470 5.178 . 0 0 "[ . 1]" 1
480 1 39 PRO QB 1 41 GLY H 4.460 . 4.460 4.616 3.082 4.924 0.464 1 0 "[ . 1]" 1
481 1 39 PRO QB 1 42 VAL H 5.140 . 5.140 4.246 4.066 4.436 . 0 0 "[ . 1]" 1
482 1 39 PRO QB 1 111 ALA HA 5.340 . 5.340 3.631 3.068 4.105 . 0 0 "[ . 1]" 1
483 1 39 PRO QB 1 111 ALA MB 3.990 . 3.990 3.156 2.574 3.743 . 0 0 "[ . 1]" 1
484 1 39 PRO HG2 1 42 VAL H 4.260 . 4.260 3.340 2.998 3.539 . 0 0 "[ . 1]" 1
485 1 39 PRO HG2 1 42 VAL QG 3.940 . 3.940 2.252 1.992 2.733 . 0 0 "[ . 1]" 1
486 1 39 PRO HG2 1 43 LYS H 5.500 . 5.500 5.248 4.757 5.528 0.028 6 0 "[ . 1]" 1
487 1 39 PRO HG2 1 111 ALA H 5.420 . 5.420 5.300 4.903 5.651 0.231 9 0 "[ . 1]" 1
488 1 39 PRO HG2 1 111 ALA HA 5.060 . 5.060 3.036 2.457 3.328 . 0 0 "[ . 1]" 1
489 1 39 PRO HG2 1 111 ALA MB 4.160 . 4.160 2.143 1.962 2.616 . 0 0 "[ . 1]" 1
490 1 39 PRO HG3 1 42 VAL QG 3.770 . 3.770 3.350 2.977 3.764 . 0 0 "[ . 1]" 1
491 1 39 PRO HG3 1 111 ALA MB 4.120 . 4.120 3.346 3.124 3.627 . 0 0 "[ . 1]" 1
492 1 40 SER HA 1 43 LYS QD 4.140 . 4.140 3.207 2.250 3.813 . 0 0 "[ . 1]" 1
493 1 40 SER HA 1 43 LYS QE 4.460 . 4.460 3.100 2.045 4.619 0.159 5 0 "[ . 1]" 1
494 1 40 SER HA 1 43 LYS HG3 4.530 . 4.530 3.557 2.433 4.847 0.317 5 0 "[ . 1]" 1
495 1 41 GLY H 1 42 VAL H 4.150 . 4.150 2.353 2.237 2.655 . 0 0 "[ . 1]" 1
496 1 41 GLY H 1 42 VAL QG 4.140 . 4.140 4.061 3.290 4.205 0.065 6 0 "[ . 1]" 1
497 1 41 GLY H 1 43 LYS H 4.950 . 4.950 3.025 2.734 4.469 . 0 0 "[ . 1]" 1
498 1 41 GLY H 1 108 ILE MD 4.790 . 4.790 4.225 4.016 4.862 0.072 3 0 "[ . 1]" 1
499 1 41 GLY H 1 111 ALA MB 4.390 . 4.390 4.203 3.053 4.445 0.055 7 0 "[ . 1]" 1
500 1 41 GLY HA2 1 44 ILE HB 4.750 . 4.750 4.004 3.900 4.097 . 0 0 "[ . 1]" 1
501 1 41 GLY HA2 1 44 ILE MD 4.320 . 4.320 3.974 3.802 4.331 0.011 6 0 "[ . 1]" 1
502 1 41 GLY HA2 1 44 ILE MG 3.870 . 3.870 1.978 1.916 2.076 . 0 0 "[ . 1]" 1
503 1 41 GLY HA2 1 102 ASN HB2 5.370 . 5.370 4.330 3.490 4.647 . 0 0 "[ . 1]" 1
504 1 41 GLY HA2 1 103 PHE QD 5.500 . 5.500 3.761 3.443 4.310 . 0 0 "[ . 1]" 1
505 1 41 GLY HA2 1 103 PHE QE 5.500 . 5.500 5.033 4.816 5.312 . 0 0 "[ . 1]" 1
506 1 41 GLY HA2 1 108 ILE MD 5.140 . 5.140 2.090 1.931 2.503 . 0 0 "[ . 1]" 1
507 1 41 GLY HA2 1 111 ALA MB 4.470 . 4.470 4.118 3.798 4.356 . 0 0 "[ . 1]" 1
508 1 41 GLY HA3 1 44 ILE HB 5.500 . 5.500 5.599 5.440 5.677 0.177 6 0 "[ . 1]" 1
509 1 41 GLY HA3 1 44 ILE MG 4.550 . 4.550 3.337 3.282 3.429 . 0 0 "[ . 1]" 1
510 1 41 GLY HA3 1 102 ASN HB2 5.500 . 5.500 5.170 3.875 5.547 0.047 6 0 "[ . 1]" 1
511 1 41 GLY HA3 1 103 PHE QD 5.500 . 5.500 5.186 4.866 5.588 0.088 6 0 "[ . 1]" 1
512 1 41 GLY HA3 1 108 ILE MD 4.710 . 4.710 2.455 2.125 3.516 . 0 0 "[ . 1]" 1
513 1 41 GLY HA3 1 111 ALA HA 5.500 . 5.500 5.243 4.796 5.534 0.034 7 0 "[ . 1]" 1
514 1 41 GLY HA3 1 111 ALA MB 3.510 . 3.510 2.723 2.430 2.961 . 0 0 "[ . 1]" 1
515 1 42 VAL H 1 42 VAL HB 3.830 . 3.830 2.499 2.346 3.457 . 0 0 "[ . 1]" 1
516 1 42 VAL H 1 42 VAL MG1 4.290 . 4.290 3.529 1.709 3.741 . 0 0 "[ . 1]" 1
517 1 42 VAL H 1 42 VAL QG 3.140 . 3.140 2.231 1.700 2.425 . 0 0 "[ . 1]" 1
518 1 42 VAL H 1 42 VAL MG2 4.290 . 4.290 2.388 2.222 3.072 . 0 0 "[ . 1]" 1
519 1 42 VAL H 1 43 LYS H 3.650 . 3.650 2.516 2.460 2.551 . 0 0 "[ . 1]" 1
520 1 42 VAL H 1 44 ILE H 4.510 . 4.510 4.057 3.750 4.181 . 0 0 "[ . 1]" 1
521 1 42 VAL H 1 108 ILE MD 4.940 . 4.940 4.382 3.970 5.274 0.334 3 0 "[ . 1]" 1
522 1 42 VAL H 1 111 ALA HA 5.500 . 5.500 5.320 4.934 5.536 0.036 10 0 "[ . 1]" 1
523 1 42 VAL HA 1 42 VAL MG1 3.210 . 3.210 2.424 2.330 2.875 . 0 0 "[ . 1]" 1
524 1 42 VAL HA 1 42 VAL QG 2.790 . 2.790 2.122 2.046 2.603 . 0 0 "[ . 1]" 1
525 1 42 VAL HA 1 42 VAL MG2 3.210 . 3.210 2.347 2.229 2.974 . 0 0 "[ . 1]" 1
526 1 42 VAL HA 1 45 VAL H 4.220 . 4.220 3.823 3.707 4.006 . 0 0 "[ . 1]" 1
527 1 42 VAL HA 1 46 MET QG 5.040 . 5.040 4.045 3.626 5.025 . 0 0 "[ . 1]" 1
528 1 42 VAL HA 1 111 ALA MB 4.000 . 4.000 3.535 3.208 3.757 . 0 0 "[ . 1]" 1
529 1 42 VAL HA 1 115 CYS HB2 5.130 . 5.130 3.597 3.184 3.870 . 0 0 "[ . 1]" 1
530 1 42 VAL QG 1 43 LYS H 3.650 . 3.650 2.940 1.933 3.127 . 0 0 "[ . 1]" 1
531 1 42 VAL QG 1 43 LYS HA 4.040 . 4.040 3.182 2.744 3.315 . 0 0 "[ . 1]" 1
532 1 42 VAL QG 1 46 MET H 4.860 . 4.860 4.038 3.682 4.355 . 0 0 "[ . 1]" 1
533 1 42 VAL QG 1 46 MET HB2 4.690 . 4.690 3.888 3.187 4.260 . 0 0 "[ . 1]" 1
534 1 42 VAL QG 1 46 MET QG 3.910 . 3.910 2.737 2.467 3.087 . 0 0 "[ . 1]" 1
535 1 42 VAL QG 1 60 TRP HH2 4.580 . 4.580 3.199 2.887 3.466 . 0 0 "[ . 1]" 1
536 1 42 VAL QG 1 60 TRP HZ3 4.280 . 4.280 3.285 2.790 3.902 . 0 0 "[ . 1]" 1
537 1 42 VAL QG 1 111 ALA H 4.650 . 4.650 4.580 4.468 4.695 0.045 9 0 "[ . 1]" 1
538 1 42 VAL QG 1 111 ALA HA 4.470 . 4.470 3.565 3.236 3.817 . 0 0 "[ . 1]" 1
539 1 42 VAL QG 1 111 ALA MB 3.130 . 3.130 1.866 1.815 1.941 . 0 0 "[ . 1]" 1
540 1 42 VAL QG 1 112 SER H 3.990 . 3.990 3.879 3.668 4.313 0.323 9 0 "[ . 1]" 1
541 1 42 VAL QG 1 112 SER QB 3.490 . 3.490 2.447 2.208 3.103 . 0 0 "[ . 1]" 1
542 1 42 VAL QG 1 115 CYS HB2 4.440 . 4.440 2.778 2.300 3.909 . 0 0 "[ . 1]" 1
543 1 42 VAL QG 1 115 CYS HB3 4.400 . 4.400 3.327 3.018 4.302 . 0 0 "[ . 1]" 1
544 1 43 LYS H 1 44 ILE H 3.860 . 3.860 2.694 2.562 2.749 . 0 0 "[ . 1]" 1
545 1 43 LYS H 1 44 ILE HA 5.370 . 5.370 5.289 5.167 5.342 . 0 0 "[ . 1]" 1
546 1 43 LYS HA 1 43 LYS HG2 4.010 . 4.010 3.479 2.684 3.742 . 0 0 "[ . 1]" 1
547 1 43 LYS HA 1 46 MET HB2 4.320 . 4.320 2.625 2.473 2.719 . 0 0 "[ . 1]" 1
548 1 43 LYS HA 1 46 MET HG2 5.500 . 5.500 3.985 3.587 4.530 . 0 0 "[ . 1]" 1
549 1 43 LYS HA 1 46 MET QG 4.680 . 4.680 3.522 3.086 4.352 . 0 0 "[ . 1]" 1
550 1 43 LYS HA 1 46 MET HG3 5.500 . 5.500 4.025 3.366 5.626 0.126 6 0 "[ . 1]" 1
551 1 43 LYS HA 1 60 TRP HZ3 5.500 . 5.500 4.001 3.439 4.787 . 0 0 "[ . 1]" 1
552 1 43 LYS QB 1 43 LYS QD 3.340 . 3.340 2.159 2.029 2.467 . 0 0 "[ . 1]" 1
553 1 43 LYS QB 1 44 ILE H 3.880 . 3.880 2.966 2.329 3.398 . 0 0 "[ . 1]" 1
554 1 43 LYS QB 1 46 MET HB2 4.970 . 4.970 4.299 4.024 4.653 . 0 0 "[ . 1]" 1
555 1 43 LYS QE 1 43 LYS HG2 3.540 . 3.540 2.598 2.025 3.265 . 0 0 "[ . 1]" 1
556 1 44 ILE H 1 45 VAL H 3.950 . 3.950 2.742 2.627 2.836 . 0 0 "[ . 1]" 1
557 1 44 ILE H 1 103 PHE QE 5.500 . 5.500 5.660 5.410 6.013 0.513 4 1 "[ +. 1]" 1
558 1 44 ILE HA 1 44 ILE MD 3.960 . 3.960 3.623 3.450 3.693 . 0 0 "[ . 1]" 1
559 1 44 ILE HA 1 44 ILE MG 3.600 . 3.600 3.193 3.182 3.201 . 0 0 "[ . 1]" 1
560 1 44 ILE HA 1 47 GLU H 4.100 . 4.100 3.580 3.383 3.799 . 0 0 "[ . 1]" 1
561 1 44 ILE HA 1 47 GLU QB 4.220 . 4.220 2.791 2.616 2.972 . 0 0 "[ . 1]" 1
562 1 44 ILE HA 1 47 GLU QG 4.880 . 4.880 3.905 3.426 4.860 . 0 0 "[ . 1]" 1
563 1 44 ILE HB 1 45 VAL H 4.020 . 4.020 3.831 3.792 3.871 . 0 0 "[ . 1]" 1
564 1 44 ILE HB 1 100 ASP QB 4.950 . 4.950 4.724 4.344 4.977 0.027 9 0 "[ . 1]" 1
565 1 44 ILE HB 1 103 PHE QD 4.520 . 4.520 4.332 3.938 4.854 0.334 4 0 "[ . 1]" 1
566 1 44 ILE HB 1 108 ILE MD 4.570 . 4.570 4.523 4.261 4.677 0.107 3 0 "[ . 1]" 1
567 1 44 ILE MD 1 100 ASP QB 3.940 . 3.940 2.337 2.036 2.478 . 0 0 "[ . 1]" 1
568 1 44 ILE MD 1 102 ASN H 4.710 . 4.710 4.474 3.931 4.781 0.071 3 0 "[ . 1]" 1
569 1 44 ILE MD 1 102 ASN HB2 4.380 . 4.380 3.812 3.290 4.418 0.038 7 0 "[ . 1]" 1
570 1 44 ILE MD 1 103 PHE H 4.180 . 4.180 3.586 3.379 3.934 . 0 0 "[ . 1]" 1
571 1 44 ILE MD 1 103 PHE HA 4.590 . 4.590 3.085 2.852 3.286 . 0 0 "[ . 1]" 1
572 1 44 ILE MD 1 103 PHE QD 4.070 . 4.070 2.355 2.141 2.506 . 0 0 "[ . 1]" 1
573 1 44 ILE MD 1 103 PHE QE 4.000 . 4.000 3.666 3.501 3.891 . 0 0 "[ . 1]" 1
574 1 44 ILE MD 1 108 ILE MD 3.670 . 3.670 3.586 3.379 3.753 0.083 4 0 "[ . 1]" 1
575 1 44 ILE HG12 1 44 ILE MG 3.430 . 3.430 2.183 2.123 2.223 . 0 0 "[ . 1]" 1
576 1 44 ILE HG12 1 45 VAL H 4.170 . 4.170 3.765 3.612 3.934 . 0 0 "[ . 1]" 1
577 1 44 ILE HG12 1 100 ASP QB 4.860 . 4.860 4.810 4.356 5.020 0.160 1 0 "[ . 1]" 1
578 1 44 ILE HG12 1 103 PHE HA 5.280 . 5.280 4.538 3.926 4.841 . 0 0 "[ . 1]" 1
579 1 44 ILE HG12 1 103 PHE QD 3.880 . 3.880 2.895 2.650 3.357 . 0 0 "[ . 1]" 1
580 1 44 ILE HG12 1 103 PHE QE 4.810 . 4.810 2.906 2.658 3.160 . 0 0 "[ . 1]" 1
581 1 44 ILE HG13 1 103 PHE QD 4.700 . 4.700 4.200 3.955 4.361 . 0 0 "[ . 1]" 1
582 1 44 ILE HG13 1 103 PHE QE 4.730 . 4.730 4.361 3.919 4.741 0.011 9 0 "[ . 1]" 1
583 1 44 ILE MG 1 45 VAL HA 4.680 . 4.680 3.164 3.066 3.237 . 0 0 "[ . 1]" 1
584 1 44 ILE MG 1 45 VAL QG 3.760 . 3.760 2.637 1.923 3.084 . 0 0 "[ . 1]" 1
585 1 44 ILE MG 1 46 MET H 5.130 . 5.130 4.061 3.948 4.150 . 0 0 "[ . 1]" 1
586 1 44 ILE MG 1 100 ASP QB 4.530 . 4.530 4.413 4.258 4.594 0.064 3 0 "[ . 1]" 1
587 1 44 ILE MG 1 103 PHE QD 3.400 . 3.400 2.110 1.823 2.641 . 0 0 "[ . 1]" 1
588 1 44 ILE MG 1 103 PHE QE 3.450 . 3.450 2.425 2.142 2.734 . 0 0 "[ . 1]" 1
589 1 44 ILE MG 1 103 PHE HZ 5.170 . 5.170 4.300 3.813 4.652 . 0 0 "[ . 1]" 1
590 1 44 ILE MG 1 108 ILE H 5.500 . 5.500 5.637 5.289 5.830 0.330 10 0 "[ . 1]" 1
591 1 44 ILE MG 1 108 ILE MG 4.170 . 4.170 4.295 3.883 4.765 0.595 7 1 "[ . + 1]" 1
592 1 45 VAL H 1 45 VAL HB 3.830 . 3.830 2.241 2.040 3.567 . 0 0 "[ . 1]" 1
593 1 45 VAL H 1 46 MET H 3.670 . 3.670 2.649 2.613 2.680 . 0 0 "[ . 1]" 1
594 1 45 VAL HA 1 48 ALA H 3.990 . 3.990 3.634 3.494 3.722 . 0 0 "[ . 1]" 1
595 1 45 VAL HA 1 48 ALA MB 3.760 . 3.760 2.869 2.694 3.040 . 0 0 "[ . 1]" 1
596 1 45 VAL HA 1 49 VAL H 4.420 . 4.420 3.811 3.609 4.205 . 0 0 "[ . 1]" 1
597 1 45 VAL HA 1 103 PHE QE 4.350 . 4.350 2.383 1.924 2.957 . 0 0 "[ . 1]" 1
598 1 45 VAL HA 1 103 PHE HZ 4.470 . 4.470 3.224 2.971 3.628 . 0 0 "[ . 1]" 1
599 1 45 VAL HA 1 122 VAL QG 4.360 . 4.360 3.249 2.977 3.599 . 0 0 "[ . 1]" 1
600 1 45 VAL HB 1 46 MET ME 4.110 . 4.110 3.896 3.400 4.112 0.002 6 0 "[ . 1]" 1
601 1 45 VAL HB 1 103 PHE QE 4.800 . 4.800 3.775 3.436 4.172 . 0 0 "[ . 1]" 1
602 1 45 VAL HB 1 103 PHE HZ 5.500 . 5.500 5.550 5.071 5.720 0.220 5 0 "[ . 1]" 1
603 1 45 VAL HB 1 108 ILE MD 3.810 . 3.810 3.404 2.803 4.311 0.501 3 1 "[ + . 1]" 1
604 1 45 VAL HB 1 108 ILE MG 4.600 . 4.600 3.723 3.142 4.666 0.066 3 0 "[ . 1]" 1
605 1 45 VAL HB 1 118 LEU QD 5.110 . 5.110 4.970 3.402 5.307 0.197 6 0 "[ . 1]" 1
606 1 45 VAL HB 1 119 TYR H 5.080 . 5.080 5.031 4.025 5.336 0.256 5 0 "[ . 1]" 1
607 1 45 VAL QG 1 46 MET H 3.270 . 3.270 2.335 1.907 2.662 . 0 0 "[ . 1]" 1
608 1 45 VAL QG 1 46 MET HA 3.770 . 3.770 2.838 2.754 3.169 . 0 0 "[ . 1]" 1
609 1 45 VAL QG 1 46 MET HB2 4.860 . 4.860 3.888 3.588 4.051 . 0 0 "[ . 1]" 1
610 1 45 VAL QG 1 46 MET ME 3.090 . 3.090 1.906 1.788 2.176 . 0 0 "[ . 1]" 1
611 1 45 VAL QG 1 46 MET QG 3.620 . 3.620 2.633 2.202 3.814 0.194 5 0 "[ . 1]" 1
612 1 45 VAL QG 1 103 PHE HA 5.440 . 5.440 4.413 4.134 4.743 . 0 0 "[ . 1]" 1
613 1 45 VAL QG 1 103 PHE QE 3.390 . 3.390 1.860 1.782 2.003 . 0 0 "[ . 1]" 1
614 1 45 VAL QG 1 108 ILE MG 3.930 . 3.930 2.216 1.852 2.641 . 0 0 "[ . 1]" 1
615 1 45 VAL QG 1 115 CYS HA 3.500 . 3.500 3.057 2.798 3.301 . 0 0 "[ . 1]" 1
616 1 45 VAL QG 1 115 CYS HB2 4.020 . 4.020 3.812 3.509 4.020 0.000 7 0 "[ . 1]" 1
617 1 45 VAL QG 1 115 CYS HB3 4.700 . 4.700 4.140 4.031 4.355 . 0 0 "[ . 1]" 1
618 1 45 VAL QG 1 118 LEU H 4.510 . 4.510 3.891 3.607 4.338 . 0 0 "[ . 1]" 1
619 1 45 VAL QG 1 118 LEU HA 4.390 . 4.390 3.881 3.621 4.528 0.138 3 0 "[ . 1]" 1
620 1 45 VAL QG 1 118 LEU QB 3.640 . 3.640 1.864 1.720 2.486 . 0 0 "[ . 1]" 1
621 1 45 VAL QG 1 118 LEU HG 3.110 . 3.110 2.899 2.543 3.378 0.268 3 0 "[ . 1]" 1
622 1 45 VAL QG 1 119 TYR H 3.600 . 3.600 2.600 2.352 3.038 . 0 0 "[ . 1]" 1
623 1 45 VAL QG 1 119 TYR HB2 3.580 . 3.580 2.233 2.005 2.519 . 0 0 "[ . 1]" 1
624 1 45 VAL QG 1 119 TYR HB3 3.890 . 3.890 3.291 2.996 3.593 . 0 0 "[ . 1]" 1
625 1 45 VAL QG 1 119 TYR QD 4.000 . 4.000 3.131 2.813 3.417 . 0 0 "[ . 1]" 1
626 1 45 VAL MG1 1 115 CYS HA 4.670 . 4.670 3.253 2.862 4.240 . 0 0 "[ . 1]" 1
627 1 45 VAL MG2 1 115 CYS HA 4.670 . 4.670 4.122 3.096 4.461 . 0 0 "[ . 1]" 1
628 1 46 MET HA 1 46 MET ME 3.720 . 3.720 2.052 2.008 2.098 . 0 0 "[ . 1]" 1
629 1 46 MET HA 1 49 VAL H 3.960 . 3.960 3.791 3.628 3.915 . 0 0 "[ . 1]" 1
630 1 46 MET HA 1 49 VAL MG1 4.640 . 4.640 4.039 3.955 4.211 . 0 0 "[ . 1]" 1
631 1 46 MET HA 1 49 VAL MG2 4.270 . 4.270 3.432 2.979 3.657 . 0 0 "[ . 1]" 1
632 1 46 MET HA 1 50 CYS H 4.450 . 4.450 3.955 3.673 4.305 . 0 0 "[ . 1]" 1
633 1 46 MET HA 1 63 ILE MD 4.270 . 4.270 4.059 3.735 4.335 0.065 8 0 "[ . 1]" 1
634 1 46 MET HA 1 63 ILE HG12 5.500 . 5.500 5.613 5.447 5.822 0.322 3 0 "[ . 1]" 1
635 1 46 MET HA 1 63 ILE MG 4.200 . 4.200 3.825 3.481 4.085 . 0 0 "[ . 1]" 1
636 1 46 MET HA 1 67 ILE MD 5.500 . 5.500 5.666 5.008 5.833 0.333 1 0 "[ . 1]" 1
637 1 46 MET HA 1 118 LEU HG 5.500 . 5.500 5.241 4.833 5.584 0.084 2 0 "[ . 1]" 1
638 1 46 MET HB2 1 63 ILE HG12 5.500 . 5.500 4.995 4.632 5.361 . 0 0 "[ . 1]" 1
639 1 46 MET HB2 1 63 ILE MG 4.220 . 4.220 3.050 2.593 3.441 . 0 0 "[ . 1]" 1
640 1 46 MET HB3 1 63 ILE MG 3.620 . 3.620 1.928 1.859 1.985 . 0 0 "[ . 1]" 1
641 1 46 MET ME 1 46 MET HG2 3.470 . 3.470 2.283 2.036 3.127 . 0 0 "[ . 1]" 1
642 1 46 MET ME 1 46 MET HG3 3.470 . 3.470 2.937 2.041 3.172 . 0 0 "[ . 1]" 1
643 1 46 MET ME 1 49 VAL H 4.620 . 4.620 4.629 4.499 4.716 0.096 6 0 "[ . 1]" 1
644 1 46 MET ME 1 49 VAL MG2 3.070 . 3.070 2.819 2.416 3.070 . 0 0 "[ . 1]" 1
645 1 46 MET ME 1 67 ILE MG 3.510 . 3.510 3.112 2.720 3.476 . 0 0 "[ . 1]" 1
646 1 46 MET ME 1 72 PHE HZ 3.220 . 3.220 2.682 1.929 3.346 0.126 8 0 "[ . 1]" 1
647 1 46 MET ME 1 76 ILE MD 4.540 . 4.540 3.743 3.516 4.040 . 0 0 "[ . 1]" 1
648 1 46 MET ME 1 118 LEU QD 3.330 . 3.330 2.398 2.070 2.797 . 0 0 "[ . 1]" 1
649 1 46 MET ME 1 118 LEU HG 3.320 . 3.320 2.309 2.012 2.757 . 0 0 "[ . 1]" 1
650 1 46 MET QG 1 47 GLU H 4.760 . 4.760 4.272 4.155 4.556 . 0 0 "[ . 1]" 1
651 1 46 MET QG 1 60 TRP HH2 4.450 . 4.450 3.972 3.235 4.505 0.055 5 0 "[ . 1]" 1
652 1 46 MET QG 1 60 TRP HZ3 5.090 . 5.090 2.594 2.134 3.085 . 0 0 "[ . 1]" 1
653 1 46 MET QG 1 63 ILE MD 5.080 . 5.080 3.533 3.115 4.105 . 0 0 "[ . 1]" 1
654 1 46 MET QG 1 63 ILE MG 4.240 . 4.240 2.601 1.955 3.162 . 0 0 "[ . 1]" 1
655 1 46 MET QG 1 67 ILE MD 3.790 . 3.790 3.244 2.999 3.488 . 0 0 "[ . 1]" 1
656 1 46 MET QG 1 67 ILE MG 4.350 . 4.350 3.279 2.655 3.702 . 0 0 "[ . 1]" 1
657 1 46 MET HG2 1 67 ILE MD 4.390 . 4.390 4.327 3.224 4.685 0.295 2 0 "[ . 1]" 1
658 1 46 MET HG3 1 67 ILE MD 4.390 . 4.390 3.433 3.059 3.792 . 0 0 "[ . 1]" 1
659 1 47 GLU H 1 47 GLU HB2 3.810 . 3.810 2.318 2.148 2.412 . 0 0 "[ . 1]" 1
660 1 47 GLU H 1 47 GLU QB 3.300 . 3.300 2.272 2.128 2.358 . 0 0 "[ . 1]" 1
661 1 47 GLU H 1 47 GLU HB3 3.810 . 3.810 3.444 2.573 3.577 . 0 0 "[ . 1]" 1
662 1 47 GLU H 1 47 GLU QG 3.580 . 3.580 2.577 2.260 3.897 0.317 8 0 "[ . 1]" 1
663 1 47 GLU H 1 48 ALA H 3.450 . 3.450 2.689 2.652 2.722 . 0 0 "[ . 1]" 1
664 1 47 GLU H 1 49 VAL H 4.620 . 4.620 4.086 4.006 4.157 . 0 0 "[ . 1]" 1
665 1 47 GLU H 1 63 ILE MD 4.190 . 4.190 3.273 2.802 3.585 . 0 0 "[ . 1]" 1
666 1 47 GLU HA 1 47 GLU QG 3.740 . 3.740 2.338 2.220 2.539 . 0 0 "[ . 1]" 1
667 1 47 GLU HA 1 50 CYS HB2 5.310 . 5.310 2.918 2.774 3.108 . 0 0 "[ . 1]" 1
668 1 47 GLU HA 1 50 CYS QB 4.440 . 4.440 2.884 2.747 3.066 . 0 0 "[ . 1]" 1
669 1 47 GLU HA 1 50 CYS HB3 5.310 . 5.310 4.507 4.379 4.684 . 0 0 "[ . 1]" 1
670 1 47 GLU QB 1 48 ALA H 3.410 . 3.410 2.407 2.326 2.451 . 0 0 "[ . 1]" 1
671 1 47 GLU QB 1 48 ALA HA 4.650 . 4.650 3.833 3.747 4.009 . 0 0 "[ . 1]" 1
672 1 47 GLU QB 1 48 ALA MB 4.250 . 4.250 3.713 3.663 3.774 . 0 0 "[ . 1]" 1
673 1 47 GLU QB 1 63 ILE MD 5.150 . 5.150 3.616 2.221 4.085 . 0 0 "[ . 1]" 1
674 1 47 GLU HB2 1 48 ALA H 3.920 . 3.920 2.610 2.405 3.687 . 0 0 "[ . 1]" 1
675 1 47 GLU HB3 1 48 ALA H 3.920 . 3.920 3.204 2.351 3.432 . 0 0 "[ . 1]" 1
676 1 47 GLU QG 1 48 ALA H 4.690 . 4.690 4.073 3.572 4.239 . 0 0 "[ . 1]" 1
677 1 47 GLU QG 1 63 ILE MD 3.700 . 3.700 2.268 1.796 2.607 . 0 0 "[ . 1]" 1
678 1 47 GLU QG 1 63 ILE HG12 5.340 . 5.340 4.398 3.985 4.837 . 0 0 "[ . 1]" 1
679 1 47 GLU HG2 1 63 ILE MD 4.220 . 4.220 2.577 1.949 3.962 . 0 0 "[ . 1]" 1
680 1 47 GLU HG3 1 63 ILE MD 4.220 . 4.220 2.769 2.103 3.898 . 0 0 "[ . 1]" 1
681 1 48 ALA H 1 48 ALA MB 3.140 . 3.140 2.163 2.009 2.227 . 0 0 "[ . 1]" 1
682 1 48 ALA H 1 49 VAL H 3.530 . 3.530 2.709 2.679 2.739 . 0 0 "[ . 1]" 1
683 1 48 ALA H 1 93 MET ME 4.750 . 4.750 4.544 4.165 4.904 0.154 7 0 "[ . 1]" 1
684 1 48 ALA HA 1 51 ALA MB 3.600 . 3.600 2.567 2.440 2.686 . 0 0 "[ . 1]" 1
685 1 48 ALA HA 1 93 MET ME 3.330 . 3.330 2.801 2.063 3.230 . 0 0 "[ . 1]" 1
686 1 48 ALA MB 1 49 VAL H 4.030 . 4.030 2.518 2.418 2.648 . 0 0 "[ . 1]" 1
687 1 48 ALA MB 1 51 ALA MB 3.640 . 3.640 3.811 3.750 3.873 0.233 10 0 "[ . 1]" 1
688 1 48 ALA MB 1 93 MET ME 3.070 . 3.070 1.928 1.767 2.017 . 0 0 "[ . 1]" 1
689 1 48 ALA MB 1 93 MET QG 4.970 . 4.970 3.961 3.342 4.407 . 0 0 "[ . 1]" 1
690 1 48 ALA MB 1 103 PHE QE 3.860 . 3.860 3.282 2.769 3.645 . 0 0 "[ . 1]" 1
691 1 48 ALA MB 1 103 PHE HZ 3.750 . 3.750 2.796 2.331 3.212 . 0 0 "[ . 1]" 1
692 1 48 ALA MB 1 122 VAL QG 3.440 . 3.440 2.078 1.849 2.396 . 0 0 "[ . 1]" 1
693 1 49 VAL H 1 49 VAL HB 3.440 . 3.440 2.406 2.384 2.419 . 0 0 "[ . 1]" 1
694 1 49 VAL H 1 49 VAL MG1 3.980 . 3.980 3.732 3.722 3.740 . 0 0 "[ . 1]" 1
695 1 49 VAL H 1 49 VAL MG2 3.520 . 3.520 2.227 2.190 2.325 . 0 0 "[ . 1]" 1
696 1 49 VAL H 1 50 CYS H 3.960 . 3.960 2.717 2.697 2.758 . 0 0 "[ . 1]" 1
697 1 49 VAL H 1 50 CYS QB 5.210 . 5.210 4.644 4.614 4.681 . 0 0 "[ . 1]" 1
698 1 49 VAL H 1 51 ALA MB 4.650 . 4.650 4.673 4.530 4.762 0.112 2 0 "[ . 1]" 1
699 1 49 VAL H 1 52 ILE MD 5.130 . 5.130 4.440 4.237 4.621 . 0 0 "[ . 1]" 1
700 1 49 VAL H 1 93 MET ME 5.480 . 5.480 4.831 4.425 5.077 . 0 0 "[ . 1]" 1
701 1 49 VAL H 1 121 TRP HE3 5.500 . 5.500 5.407 5.209 5.549 0.049 1 0 "[ . 1]" 1
702 1 49 VAL H 1 122 VAL QG 3.120 . 3.120 3.087 2.814 3.283 0.163 9 0 "[ . 1]" 1
703 1 49 VAL HA 1 49 VAL MG1 3.400 . 3.400 2.408 2.387 2.424 . 0 0 "[ . 1]" 1
704 1 49 VAL HA 1 49 VAL MG2 3.600 . 3.600 2.342 2.325 2.356 . 0 0 "[ . 1]" 1
705 1 49 VAL HA 1 52 ILE H 5.380 . 5.380 3.591 3.512 3.712 . 0 0 "[ . 1]" 1
706 1 49 VAL HA 1 52 ILE HB 4.360 . 4.360 3.152 2.939 3.304 . 0 0 "[ . 1]" 1
707 1 49 VAL HA 1 52 ILE MD 3.620 . 3.620 2.495 2.364 2.733 . 0 0 "[ . 1]" 1
708 1 49 VAL HA 1 52 ILE HG13 5.170 . 5.170 3.946 3.731 4.202 . 0 0 "[ . 1]" 1
709 1 49 VAL HA 1 121 TRP HH2 4.620 . 4.620 4.049 3.896 4.242 . 0 0 "[ . 1]" 1
710 1 49 VAL HA 1 122 VAL QG 3.680 . 3.680 2.582 2.267 2.903 . 0 0 "[ . 1]" 1
711 1 49 VAL HB 1 50 CYS H 3.470 . 3.470 2.544 2.453 2.625 . 0 0 "[ . 1]" 1
712 1 49 VAL HB 1 76 ILE MD 4.900 . 4.900 4.321 3.934 4.552 . 0 0 "[ . 1]" 1
713 1 49 VAL MG1 1 50 CYS H 3.640 . 3.640 3.205 3.106 3.258 . 0 0 "[ . 1]" 1
714 1 49 VAL MG1 1 53 LEU H 4.600 . 4.600 4.174 3.951 4.443 . 0 0 "[ . 1]" 1
715 1 49 VAL MG1 1 76 ILE MD 4.080 . 4.080 2.143 1.981 2.419 . 0 0 "[ . 1]" 1
716 1 49 VAL MG1 1 118 LEU QD 3.250 . 3.250 2.355 2.008 2.751 . 0 0 "[ . 1]" 1
717 1 49 VAL MG1 1 121 TRP HB3 5.500 . 5.500 4.634 4.366 5.295 . 0 0 "[ . 1]" 1
718 1 49 VAL MG1 1 121 TRP HE3 3.770 . 3.770 3.347 3.018 3.790 0.020 1 0 "[ . 1]" 1
719 1 49 VAL MG1 1 121 TRP HH2 4.650 . 4.650 3.627 3.440 3.850 . 0 0 "[ . 1]" 1
720 1 49 VAL MG1 1 121 TRP HZ2 4.610 . 4.610 4.765 4.689 4.886 0.276 10 0 "[ . 1]" 1
721 1 49 VAL MG2 1 50 CYS H 3.990 . 3.990 3.907 3.869 3.951 . 0 0 "[ . 1]" 1
722 1 49 VAL MG2 1 72 PHE HZ 4.330 . 4.330 4.113 3.620 4.524 0.194 6 0 "[ . 1]" 1
723 1 49 VAL MG2 1 76 ILE MD 3.610 . 3.610 3.588 3.340 3.722 0.112 10 0 "[ . 1]" 1
724 1 49 VAL MG2 1 76 ILE MG 4.430 . 4.430 3.871 3.594 4.457 0.027 10 0 "[ . 1]" 1
725 1 49 VAL MG2 1 121 TRP HE3 4.410 . 4.410 2.289 2.191 2.567 . 0 0 "[ . 1]" 1
726 1 49 VAL MG2 1 121 TRP HH2 4.870 . 4.870 4.844 4.609 4.974 0.104 6 0 "[ . 1]" 1
727 1 49 VAL MG2 1 122 VAL H 4.520 . 4.520 3.602 3.161 4.058 . 0 0 "[ . 1]" 1
728 1 49 VAL MG2 1 122 VAL MG1 3.680 . 3.680 2.670 1.739 3.587 . 0 0 "[ . 1]" 1
729 1 49 VAL MG2 1 122 VAL QG 3.130 . 3.130 1.917 1.713 2.489 . 0 0 "[ . 1]" 1
730 1 49 VAL MG2 1 122 VAL MG2 3.680 . 3.680 2.600 1.720 3.581 . 0 0 "[ . 1]" 1
731 1 50 CYS H 1 50 CYS HB2 3.870 . 3.870 2.397 2.360 2.438 . 0 0 "[ . 1]" 1
732 1 50 CYS H 1 50 CYS QB 3.400 . 3.400 2.362 2.328 2.399 . 0 0 "[ . 1]" 1
733 1 50 CYS H 1 50 CYS HB3 3.870 . 3.870 3.565 3.543 3.571 . 0 0 "[ . 1]" 1
734 1 50 CYS H 1 51 ALA H 3.890 . 3.890 2.698 2.661 2.764 . 0 0 "[ . 1]" 1
735 1 50 CYS H 1 51 ALA MB 4.420 . 4.420 4.274 4.199 4.322 . 0 0 "[ . 1]" 1
736 1 50 CYS H 1 55 TYR QD 5.500 . 5.500 5.343 4.672 5.829 0.329 5 0 "[ . 1]" 1
737 1 50 CYS H 1 63 ILE MD 4.600 . 4.600 4.800 4.499 4.926 0.326 9 0 "[ . 1]" 1
738 1 50 CYS HA 1 53 LEU H 4.150 . 4.150 3.371 3.250 3.521 . 0 0 "[ . 1]" 1
739 1 50 CYS HA 1 55 TYR QD 4.580 . 4.580 3.378 2.422 4.233 . 0 0 "[ . 1]" 1
740 1 50 CYS QB 1 51 ALA H 4.080 . 4.080 2.654 2.598 2.778 . 0 0 "[ . 1]" 1
741 1 50 CYS QB 1 51 ALA HA 4.900 . 4.900 3.873 3.841 3.937 . 0 0 "[ . 1]" 1
742 1 50 CYS QB 1 51 ALA MB 4.230 . 4.230 3.905 3.856 4.012 . 0 0 "[ . 1]" 1
743 1 50 CYS QB 1 53 LEU H 5.340 . 5.340 4.759 4.578 4.908 . 0 0 "[ . 1]" 1
744 1 50 CYS QB 1 55 TYR H 3.950 . 3.950 3.882 3.841 3.934 . 0 0 "[ . 1]" 1
745 1 50 CYS QB 1 55 TYR QB 4.310 . 4.310 2.119 1.784 3.599 . 0 0 "[ . 1]" 1
746 1 50 CYS QB 1 55 TYR QD 3.530 . 3.530 2.697 1.887 3.050 . 0 0 "[ . 1]" 1
747 1 50 CYS HB2 1 55 TYR H 4.700 . 4.700 5.101 4.959 5.221 0.521 5 1 "[ + 1]" 1
748 1 50 CYS HB2 1 55 TYR QD 4.100 . 4.100 4.117 3.134 4.600 0.500 10 1 "[ . +]" 1
749 1 50 CYS HB3 1 55 TYR H 4.700 . 4.700 4.025 3.987 4.069 . 0 0 "[ . 1]" 1
750 1 50 CYS HB3 1 55 TYR QD 4.100 . 4.100 2.746 1.898 3.106 . 0 0 "[ . 1]" 1
751 1 51 ALA H 1 51 ALA MB 3.220 . 3.220 2.115 1.988 2.214 . 0 0 "[ . 1]" 1
752 1 51 ALA H 1 52 ILE H 3.950 . 3.950 2.705 2.682 2.731 . 0 0 "[ . 1]" 1
753 1 51 ALA H 1 52 ILE MD 4.980 . 4.980 5.034 4.953 5.100 0.120 9 0 "[ . 1]" 1
754 1 51 ALA H 1 53 LEU H 4.930 . 4.930 4.172 4.103 4.233 . 0 0 "[ . 1]" 1
755 1 51 ALA H 1 93 MET ME 5.500 . 5.500 5.234 4.377 5.579 0.079 10 0 "[ . 1]" 1
756 1 51 ALA MB 1 52 ILE H 3.490 . 3.490 2.624 2.506 2.711 . 0 0 "[ . 1]" 1
757 1 51 ALA MB 1 52 ILE HG13 3.880 . 3.880 3.213 3.004 3.362 . 0 0 "[ . 1]" 1
758 1 51 ALA MB 1 89 ILE MG 4.050 . 4.050 3.020 2.299 3.587 . 0 0 "[ . 1]" 1
759 1 51 ALA MB 1 93 MET ME 3.700 . 3.700 3.542 2.735 3.885 0.185 5 0 "[ . 1]" 1
760 1 51 ALA MB 1 93 MET QG 4.600 . 4.600 3.629 2.970 4.222 . 0 0 "[ . 1]" 1
761 1 52 ILE H 1 52 ILE MD 4.170 . 4.170 3.350 3.297 3.410 . 0 0 "[ . 1]" 1
762 1 52 ILE H 1 52 ILE HG13 3.540 . 3.540 2.312 2.264 2.365 . 0 0 "[ . 1]" 1
763 1 52 ILE H 1 52 ILE MG 4.210 . 4.210 3.720 3.710 3.729 . 0 0 "[ . 1]" 1
764 1 52 ILE H 1 53 LEU H 3.720 . 3.720 2.582 2.550 2.619 . 0 0 "[ . 1]" 1
765 1 52 ILE H 1 53 LEU QD 3.350 . 3.350 3.550 3.374 3.638 0.288 4 0 "[ . 1]" 1
766 1 52 ILE HA 1 52 ILE HG13 3.950 . 3.950 2.724 2.696 2.766 . 0 0 "[ . 1]" 1
767 1 52 ILE HA 1 52 ILE MG 3.470 . 3.470 2.397 2.368 2.448 . 0 0 "[ . 1]" 1
768 1 52 ILE HA 1 53 LEU QD 4.630 . 4.630 4.116 3.868 4.204 . 0 0 "[ . 1]" 1
769 1 52 ILE HA 1 89 ILE MD 4.550 . 4.550 4.535 4.184 4.737 0.187 4 0 "[ . 1]" 1
770 1 52 ILE HA 1 89 ILE MG 3.680 . 3.680 3.597 3.443 3.734 0.054 7 0 "[ . 1]" 1
771 1 52 ILE HB 1 53 LEU H 5.400 . 5.400 2.689 2.615 2.793 . 0 0 "[ . 1]" 1
772 1 52 ILE HB 1 121 TRP HZ2 5.150 . 5.150 4.752 4.520 4.917 . 0 0 "[ . 1]" 1
773 1 52 ILE HB 1 121 TRP HZ3 5.430 . 5.430 2.541 2.393 2.679 . 0 0 "[ . 1]" 1
774 1 52 ILE MD 1 54 GLY H 5.500 . 5.500 5.998 5.957 6.045 0.545 10 5 "[ * .* *-+]" 1
775 1 52 ILE MD 1 79 TYR QD 5.500 . 5.500 5.514 5.360 5.584 0.084 7 0 "[ . 1]" 1
776 1 52 ILE MD 1 121 TRP HE3 4.500 . 4.500 3.295 3.206 3.412 . 0 0 "[ . 1]" 1
777 1 52 ILE MD 1 121 TRP HH2 4.640 . 4.640 2.777 2.565 2.912 . 0 0 "[ . 1]" 1
778 1 52 ILE MD 1 121 TRP HZ2 4.550 . 4.550 4.288 4.090 4.485 . 0 0 "[ . 1]" 1
779 1 52 ILE MD 1 122 VAL HA 3.730 . 3.730 2.489 2.280 2.721 . 0 0 "[ . 1]" 1
780 1 52 ILE MD 1 122 VAL QG 3.260 . 3.260 2.016 1.767 2.143 . 0 0 "[ . 1]" 1
781 1 52 ILE MD 1 125 GLN HA 5.450 . 5.450 5.017 4.754 5.351 . 0 0 "[ . 1]" 1
782 1 52 ILE HG13 1 52 ILE MG 3.450 . 3.450 3.179 3.174 3.184 . 0 0 "[ . 1]" 1
783 1 52 ILE HG13 1 53 LEU H 4.220 . 4.220 4.380 4.339 4.433 0.213 3 0 "[ . 1]" 1
784 1 52 ILE MG 1 53 LEU H 3.880 . 3.880 3.330 3.259 3.424 . 0 0 "[ . 1]" 1
785 1 52 ILE MG 1 53 LEU HA 4.420 . 4.420 3.322 3.265 3.372 . 0 0 "[ . 1]" 1
786 1 52 ILE MG 1 53 LEU QB 4.090 . 4.090 4.442 4.383 4.503 0.413 8 0 "[ . 1]" 1
787 1 52 ILE MG 1 54 GLY H 4.950 . 4.950 4.307 4.257 4.369 . 0 0 "[ . 1]" 1
788 1 52 ILE MG 1 79 TYR QE 3.900 . 3.900 2.684 2.206 3.057 . 0 0 "[ . 1]" 1
789 1 52 ILE MG 1 121 TRP HE3 5.500 . 5.500 4.890 4.721 5.054 . 0 0 "[ . 1]" 1
790 1 52 ILE MG 1 121 TRP HH2 3.730 . 3.730 1.925 1.860 2.005 . 0 0 "[ . 1]" 1
791 1 52 ILE MG 1 122 VAL HA 4.460 . 4.460 4.521 4.206 4.689 0.229 3 0 "[ . 1]" 1
792 1 52 ILE MG 1 125 GLN HA 5.060 . 5.060 5.093 4.824 5.295 0.235 8 0 "[ . 1]" 1
793 1 52 ILE MG 1 125 GLN QG 3.710 . 3.710 2.350 2.088 2.664 . 0 0 "[ . 1]" 1
794 1 53 LEU H 1 53 LEU QB 3.510 . 3.510 2.193 2.143 2.390 . 0 0 "[ . 1]" 1
795 1 53 LEU H 1 53 LEU QD 3.360 . 3.360 1.996 1.951 2.024 . 0 0 "[ . 1]" 1
796 1 53 LEU H 1 53 LEU HG 4.720 . 4.720 4.073 3.990 4.104 . 0 0 "[ . 1]" 1
797 1 53 LEU H 1 79 TYR QD 5.060 . 5.060 5.062 4.902 5.293 0.233 6 0 "[ . 1]" 1
798 1 53 LEU H 1 121 TRP HH2 4.820 . 4.820 3.956 3.678 4.252 . 0 0 "[ . 1]" 1
799 1 53 LEU HA 1 53 LEU QD 3.490 . 3.490 2.007 1.854 2.048 . 0 0 "[ . 1]" 1
800 1 53 LEU HA 1 79 TYR QE 3.950 . 3.950 2.458 2.170 2.761 . 0 0 "[ . 1]" 1
801 1 53 LEU QD 1 54 GLY H 3.860 . 3.860 3.830 3.622 3.881 0.021 7 0 "[ . 1]" 1
802 1 53 LEU QD 1 55 TYR H 4.970 . 4.970 4.427 4.275 4.829 . 0 0 "[ . 1]" 1
803 1 53 LEU QD 1 75 ASN HB2 4.830 . 4.830 3.543 2.789 4.327 . 0 0 "[ . 1]" 1
804 1 53 LEU QD 1 75 ASN QB 3.960 . 3.960 3.039 2.480 3.849 . 0 0 "[ . 1]" 1
805 1 53 LEU QD 1 75 ASN HB3 4.830 . 4.830 3.374 2.682 4.564 . 0 0 "[ . 1]" 1
806 1 53 LEU QD 1 76 ILE HA 4.070 . 4.070 2.553 2.025 2.870 . 0 0 "[ . 1]" 1
807 1 53 LEU QD 1 76 ILE HG12 4.740 . 4.740 2.076 1.976 2.456 . 0 0 "[ . 1]" 1
808 1 53 LEU QD 1 76 ILE HG13 5.500 . 5.500 2.525 2.094 3.380 . 0 0 "[ . 1]" 1
809 1 53 LEU QD 1 76 ILE MG 4.920 . 4.920 3.046 2.880 3.229 . 0 0 "[ . 1]" 1
810 1 53 LEU QD 1 121 TRP HH2 4.730 . 4.730 2.066 1.931 2.268 . 0 0 "[ . 1]" 1
811 1 53 LEU QD 1 121 TRP HZ2 5.460 . 5.460 2.902 2.681 3.190 . 0 0 "[ . 1]" 1
812 1 53 LEU HG 1 54 GLY H 5.320 . 5.320 5.407 5.359 5.606 0.286 6 0 "[ . 1]" 1
813 1 53 LEU HG 1 75 ASN QB 5.120 . 5.120 3.521 2.519 4.308 . 0 0 "[ . 1]" 1
814 1 53 LEU HG 1 76 ILE HG12 5.020 . 5.020 4.336 4.027 4.516 . 0 0 "[ . 1]" 1
815 1 53 LEU HG 1 76 ILE MG 4.900 . 4.900 5.106 5.001 5.246 0.346 8 0 "[ . 1]" 1
816 1 53 LEU HG 1 79 TYR QB 4.780 . 4.780 4.008 3.036 4.522 . 0 0 "[ . 1]" 1
817 1 53 LEU HG 1 79 TYR QE 4.640 . 4.640 4.406 4.087 4.704 0.064 5 0 "[ . 1]" 1
818 1 53 LEU HG 1 121 TRP HH2 4.790 . 4.790 4.632 4.464 4.880 0.090 3 0 "[ . 1]" 1
819 1 54 GLY H 1 55 TYR H 3.740 . 3.740 2.352 2.181 2.749 . 0 0 "[ . 1]" 1
820 1 55 TYR H 1 55 TYR HB2 3.830 . 3.830 2.786 2.143 3.714 . 0 0 "[ . 1]" 1
821 1 55 TYR H 1 55 TYR QB 3.280 . 3.280 2.473 2.100 2.833 . 0 0 "[ . 1]" 1
822 1 55 TYR H 1 55 TYR HB3 3.830 . 3.830 3.204 2.543 3.843 0.013 10 0 "[ . 1]" 1
823 1 55 TYR H 1 55 TYR QD 3.690 . 3.690 3.389 2.078 4.208 0.518 1 1 "[+ . 1]" 1
824 1 55 TYR HA 1 55 TYR QD 3.540 . 3.540 2.411 1.929 3.636 0.096 6 0 "[ . 1]" 1
825 1 55 TYR HA 1 56 GLN H 3.240 . 3.240 2.195 2.115 2.256 . 0 0 "[ . 1]" 1
826 1 55 TYR QD 1 56 GLN H 4.460 . 4.460 3.743 2.486 4.520 0.060 8 0 "[ . 1]" 1
827 1 56 GLN H 1 56 GLN QB 3.500 . 3.500 2.449 2.007 3.432 . 0 0 "[ . 1]" 1
828 1 56 GLN H 1 56 GLN QG 3.390 . 3.390 2.954 1.931 3.489 0.099 9 0 "[ . 1]" 1
829 1 56 GLN H 1 57 PHE H 4.460 . 4.460 4.039 3.573 4.419 . 0 0 "[ . 1]" 1
830 1 56 GLN H 1 57 PHE QD 4.610 . 4.610 4.409 3.372 5.176 0.566 2 1 "[ + . 1]" 1
831 1 56 GLN HA 1 56 GLN HG2 3.780 . 3.780 2.683 2.073 3.667 . 0 0 "[ . 1]" 1
832 1 56 GLN HA 1 56 GLN HG3 3.780 . 3.780 2.949 2.322 3.683 . 0 0 "[ . 1]" 1
833 1 56 GLN QB 1 57 PHE H 4.320 . 4.320 3.201 1.847 3.950 . 0 0 "[ . 1]" 1
834 1 56 GLN QG 1 57 PHE H 4.530 . 4.530 3.621 2.431 4.454 . 0 0 "[ . 1]" 1
835 1 56 GLN QG 1 89 ILE MD 4.610 . 4.610 4.487 4.122 4.818 0.208 6 0 "[ . 1]" 1
836 1 56 GLN HG2 1 89 ILE MD 5.270 . 5.270 4.914 4.295 5.422 0.152 6 0 "[ . 1]" 1
837 1 56 GLN HG3 1 89 ILE MD 5.270 . 5.270 5.248 4.807 5.457 0.187 4 0 "[ . 1]" 1
838 1 57 PHE H 1 57 PHE QD 4.150 . 4.150 3.273 1.648 4.259 0.109 6 0 "[ . 1]" 1
839 1 57 PHE HA 1 57 PHE QD 3.860 . 3.860 2.639 1.661 3.608 . 0 0 "[ . 1]" 1
840 1 58 SER H 1 59 ASN H 4.520 . 4.520 2.836 2.081 4.451 . 0 0 "[ . 1]" 1
841 1 58 SER HA 1 59 ASN H 3.190 . 3.190 2.780 2.365 3.099 . 0 0 "[ . 1]" 1
842 1 58 SER HA 1 59 ASN HA 4.560 . 4.560 4.402 4.329 4.474 . 0 0 "[ . 1]" 1
843 1 58 SER HA 1 63 ILE H 5.500 . 5.500 5.998 5.674 6.506 1.006 3 4 "[- + . * *]" 1
844 1 58 SER QB 1 59 ASN H 3.910 . 3.910 3.505 2.288 4.044 0.134 5 0 "[ . 1]" 1
845 1 59 ASN H 1 59 ASN QB 3.610 . 3.610 2.413 2.138 2.691 . 0 0 "[ . 1]" 1
846 1 59 ASN H 1 61 ARG H 5.100 . 5.100 5.404 5.308 5.497 0.397 1 0 "[ . 1]" 1
847 1 59 ASN H 1 62 ASP H 4.250 . 4.250 3.978 3.677 4.187 . 0 0 "[ . 1]" 1
848 1 59 ASN H 1 62 ASP HA 5.210 . 5.210 5.330 4.881 5.633 0.423 8 0 "[ . 1]" 1
849 1 59 ASN H 1 62 ASP HB2 4.430 . 4.430 2.486 2.031 3.660 . 0 0 "[ . 1]" 1
850 1 59 ASN H 1 62 ASP QB 3.840 . 3.840 2.358 2.012 2.643 . 0 0 "[ . 1]" 1
851 1 59 ASN H 1 62 ASP HB3 4.430 . 4.430 3.521 2.711 3.977 . 0 0 "[ . 1]" 1
852 1 59 ASN H 1 63 ILE H 4.090 . 4.090 3.977 3.670 4.215 0.125 3 0 "[ . 1]" 1
853 1 59 ASN H 1 63 ILE HG13 4.350 . 4.350 3.711 2.956 4.298 . 0 0 "[ . 1]" 1
854 1 59 ASN HA 1 61 ARG H 4.530 . 4.530 4.213 3.801 4.602 0.072 2 0 "[ . 1]" 1
855 1 59 ASN HA 1 63 ILE H 5.400 . 5.400 5.111 4.958 5.366 . 0 0 "[ . 1]" 1
856 1 59 ASN QB 1 62 ASP H 4.220 . 4.220 2.206 1.874 2.652 . 0 0 "[ . 1]" 1
857 1 59 ASN QB 1 63 ILE H 4.750 . 4.750 3.968 3.693 4.258 . 0 0 "[ . 1]" 1
858 1 60 TRP HD1 1 64 GLN QG 4.730 . 4.730 4.658 4.505 4.808 0.078 9 0 "[ . 1]" 1
859 1 60 TRP HE1 1 64 GLN QG 3.900 . 3.900 3.786 3.543 3.991 0.091 9 0 "[ . 1]" 1
860 1 60 TRP HH2 1 67 ILE MD 4.540 . 4.540 2.708 2.265 3.073 . 0 0 "[ . 1]" 1
861 1 60 TRP HH2 1 67 ILE QG 5.340 . 5.340 4.677 4.272 4.920 . 0 0 "[ . 1]" 1
862 1 60 TRP HH2 1 67 ILE MG 5.340 . 5.340 4.796 4.346 5.130 . 0 0 "[ . 1]" 1
863 1 60 TRP HZ3 1 64 GLN QB 5.500 . 5.500 5.413 5.053 5.563 0.063 9 0 "[ . 1]" 1
864 1 60 TRP HZ3 1 64 GLN QG 4.620 . 4.620 3.625 3.342 3.883 . 0 0 "[ . 1]" 1
865 1 60 TRP HZ3 1 67 ILE MD 4.500 . 4.500 3.093 2.596 3.606 . 0 0 "[ . 1]" 1
866 1 61 ARG H 1 62 ASP H 3.760 . 3.760 2.650 2.551 2.725 . 0 0 "[ . 1]" 1
867 1 61 ARG H 1 63 ILE H 4.520 . 4.520 4.309 4.229 4.388 . 0 0 "[ . 1]" 1
868 1 61 ARG HA 1 61 ARG QD 4.270 . 4.270 3.468 2.108 4.255 . 0 0 "[ . 1]" 1
869 1 62 ASP H 1 62 ASP QB 3.680 . 3.680 2.302 2.240 2.350 . 0 0 "[ . 1]" 1
870 1 62 ASP H 1 63 ILE H 3.850 . 3.850 2.721 2.486 2.783 . 0 0 "[ . 1]" 1
871 1 62 ASP H 1 64 GLN H 4.360 . 4.360 4.093 3.882 4.205 . 0 0 "[ . 1]" 1
872 1 62 ASP H 1 64 GLN QB 4.420 . 4.420 4.630 4.482 4.803 0.383 8 0 "[ . 1]" 1
873 1 62 ASP QB 1 63 ILE H 3.700 . 3.700 2.480 2.380 2.523 . 0 0 "[ . 1]" 1
874 1 62 ASP QB 1 63 ILE HA 4.350 . 4.350 3.897 3.850 4.127 . 0 0 "[ . 1]" 1
875 1 62 ASP HB2 1 63 ILE H 4.280 . 4.280 2.685 2.526 3.780 . 0 0 "[ . 1]" 1
876 1 62 ASP HB3 1 63 ILE H 4.280 . 4.280 3.295 2.405 3.489 . 0 0 "[ . 1]" 1
877 1 63 ILE H 1 63 ILE HB 3.710 . 3.710 2.355 2.248 2.470 . 0 0 "[ . 1]" 1
878 1 63 ILE H 1 63 ILE MD 3.910 . 3.910 3.555 3.427 3.669 . 0 0 "[ . 1]" 1
879 1 63 ILE H 1 63 ILE HG12 3.880 . 3.880 3.690 3.489 3.921 0.041 3 0 "[ . 1]" 1
880 1 63 ILE H 1 63 ILE HG13 3.860 . 3.860 2.389 2.109 2.663 . 0 0 "[ . 1]" 1
881 1 63 ILE H 1 63 ILE MG 3.810 . 3.810 3.725 3.667 3.769 . 0 0 "[ . 1]" 1
882 1 63 ILE H 1 64 GLN H 3.740 . 3.740 2.664 2.620 2.746 . 0 0 "[ . 1]" 1
883 1 63 ILE HA 1 63 ILE MG 3.630 . 3.630 2.472 2.360 2.536 . 0 0 "[ . 1]" 1
884 1 63 ILE HA 1 66 PHE H 4.090 . 4.090 3.193 3.089 3.340 . 0 0 "[ . 1]" 1
885 1 63 ILE HA 1 66 PHE QD 4.510 . 4.510 2.813 2.068 3.826 . 0 0 "[ . 1]" 1
886 1 63 ILE HB 1 66 PHE QD 5.500 . 5.500 5.441 4.806 5.748 0.248 5 0 "[ . 1]" 1
887 1 63 ILE HG12 1 63 ILE MG 3.630 . 3.630 2.312 2.204 2.365 . 0 0 "[ . 1]" 1
888 1 63 ILE HG12 1 66 PHE QB 5.100 . 5.100 3.975 3.710 4.193 . 0 0 "[ . 1]" 1
889 1 63 ILE MG 1 64 GLN H 4.000 . 4.000 3.222 2.932 3.576 . 0 0 "[ . 1]" 1
890 1 63 ILE MG 1 65 GLN H 5.500 . 5.500 4.755 4.634 4.927 . 0 0 "[ . 1]" 1
891 1 63 ILE MG 1 66 PHE HA 5.290 . 5.290 5.401 5.131 5.638 0.348 8 0 "[ . 1]" 1
892 1 64 GLN H 1 64 GLN QB 3.020 . 3.020 2.239 2.064 2.342 . 0 0 "[ . 1]" 1
893 1 64 GLN H 1 65 GLN H 3.660 . 3.660 2.920 2.861 3.013 . 0 0 "[ . 1]" 1
894 1 64 GLN H 1 66 PHE H 4.430 . 4.430 4.053 3.997 4.139 . 0 0 "[ . 1]" 1
895 1 64 GLN HA 1 64 GLN QG 3.690 . 3.690 2.186 2.058 2.301 . 0 0 "[ . 1]" 1
896 1 64 GLN HA 1 67 ILE H 4.460 . 4.460 3.585 3.498 3.633 . 0 0 "[ . 1]" 1
897 1 64 GLN HA 1 67 ILE MD 3.610 . 3.610 2.129 2.037 2.387 . 0 0 "[ . 1]" 1
898 1 64 GLN HA 1 67 ILE QG 3.990 . 3.990 2.107 2.026 2.253 . 0 0 "[ . 1]" 1
899 1 64 GLN QB 1 65 GLN H 3.120 . 3.120 2.552 2.510 2.663 . 0 0 "[ . 1]" 1
900 1 64 GLN QB 1 65 GLN QG 4.030 . 4.030 3.349 3.152 3.933 . 0 0 "[ . 1]" 1
901 1 64 GLN QG 1 67 ILE MD 4.380 . 4.380 2.618 2.386 2.952 . 0 0 "[ . 1]" 1
902 1 64 GLN QG 1 67 ILE QG 4.760 . 4.760 3.620 3.341 3.823 . 0 0 "[ . 1]" 1
903 1 65 GLN H 1 65 GLN QB 2.880 . 2.880 2.412 2.332 2.558 . 0 0 "[ . 1]" 1
904 1 65 GLN H 1 65 GLN QG 3.230 . 3.230 2.217 1.992 2.381 . 0 0 "[ . 1]" 1
905 1 65 GLN H 1 67 ILE QG 5.340 . 5.340 4.234 4.171 4.341 . 0 0 "[ . 1]" 1
906 1 65 GLN HA 1 65 GLN QG 3.570 . 3.570 2.709 2.250 3.316 . 0 0 "[ . 1]" 1
907 1 65 GLN HA 1 67 ILE H 4.590 . 4.590 4.608 4.149 4.820 0.230 1 0 "[ . 1]" 1
908 1 65 GLN HA 1 68 ARG HB2 4.150 . 4.150 2.607 2.162 2.954 . 0 0 "[ . 1]" 1
909 1 65 GLN HA 1 68 ARG HB3 4.150 . 4.150 3.209 2.873 3.903 . 0 0 "[ . 1]" 1
910 1 65 GLN HA 1 68 ARG QD 4.400 . 4.400 3.468 2.076 4.434 0.034 7 0 "[ . 1]" 1
911 1 65 GLN HA 1 68 ARG QG 4.570 . 4.570 4.005 2.536 4.617 0.047 1 0 "[ . 1]" 1
912 1 65 GLN QB 1 66 PHE H 3.650 . 3.650 3.038 2.711 3.657 0.007 5 0 "[ . 1]" 1
913 1 65 GLN QB 1 67 ILE H 5.130 . 5.130 5.061 4.725 5.434 0.304 5 0 "[ . 1]" 1
914 1 65 GLN QG 1 66 PHE H 4.240 . 4.240 3.812 2.240 4.252 0.012 3 0 "[ . 1]" 1
915 1 66 PHE H 1 66 PHE QD 4.380 . 4.380 3.341 2.748 4.185 . 0 0 "[ . 1]" 1
916 1 66 PHE H 1 67 ILE H 3.780 . 3.780 2.528 2.433 2.585 . 0 0 "[ . 1]" 1
917 1 66 PHE H 1 67 ILE MG 4.630 . 4.630 4.284 4.123 4.692 0.062 10 0 "[ . 1]" 1
918 1 66 PHE HA 1 66 PHE QD 3.670 . 3.670 2.384 1.843 2.868 . 0 0 "[ . 1]" 1
919 1 66 PHE HA 1 67 ILE HA 5.440 . 5.440 4.712 4.606 4.759 . 0 0 "[ . 1]" 1
920 1 66 PHE HA 1 67 ILE MG 5.500 . 5.500 4.960 4.709 5.072 . 0 0 "[ . 1]" 1
921 1 66 PHE HA 1 68 ARG H 4.330 . 4.330 4.197 3.999 4.597 0.267 10 0 "[ . 1]" 1
922 1 66 PHE QB 1 67 ILE H 3.650 . 3.650 2.545 2.345 2.826 . 0 0 "[ . 1]" 1
923 1 66 PHE QD 1 67 ILE H 4.830 . 4.830 4.302 3.444 4.643 . 0 0 "[ . 1]" 1
924 1 67 ILE H 1 67 ILE HB 4.120 . 4.120 3.600 3.563 3.633 . 0 0 "[ . 1]" 1
925 1 67 ILE H 1 67 ILE HG12 4.020 . 4.020 1.835 1.762 1.880 . 0 0 "[ . 1]" 1
926 1 67 ILE H 1 67 ILE HG13 4.020 . 4.020 2.876 2.245 3.055 . 0 0 "[ . 1]" 1
927 1 67 ILE H 1 67 ILE MG 3.640 . 3.640 2.412 2.239 2.894 . 0 0 "[ . 1]" 1
928 1 67 ILE H 1 68 ARG H 3.910 . 3.910 2.494 2.289 2.609 . 0 0 "[ . 1]" 1
929 1 67 ILE H 1 72 PHE QD 5.350 . 5.350 4.785 4.330 5.353 0.003 8 0 "[ . 1]" 1
930 1 67 ILE HA 1 67 ILE MG 3.310 . 3.310 2.217 2.121 2.293 . 0 0 "[ . 1]" 1
931 1 67 ILE HA 1 72 PHE HA 5.500 . 5.500 4.520 4.266 4.714 . 0 0 "[ . 1]" 1
932 1 67 ILE HA 1 72 PHE QD 4.100 . 4.100 3.001 2.800 3.328 . 0 0 "[ . 1]" 1
933 1 67 ILE HB 1 68 ARG H 4.540 . 4.540 3.876 3.556 4.017 . 0 0 "[ . 1]" 1
934 1 67 ILE HB 1 72 PHE QD 4.660 . 4.660 4.104 3.783 4.367 . 0 0 "[ . 1]" 1
935 1 67 ILE MD 1 72 PHE QD 5.340 . 5.340 5.261 5.051 5.312 . 0 0 "[ . 1]" 1
936 1 67 ILE QG 1 68 ARG H 3.850 . 3.850 2.325 2.081 2.478 . 0 0 "[ . 1]" 1
937 1 67 ILE HG12 1 68 ARG H 4.460 . 4.460 2.962 2.762 3.307 . 0 0 "[ . 1]" 1
938 1 67 ILE HG13 1 68 ARG H 4.460 . 4.460 2.445 2.103 2.657 . 0 0 "[ . 1]" 1
939 1 67 ILE MG 1 68 ARG H 4.410 . 4.410 4.077 3.976 4.155 . 0 0 "[ . 1]" 1
940 1 67 ILE MG 1 72 PHE HA 5.500 . 5.500 5.306 4.959 5.564 0.064 9 0 "[ . 1]" 1
941 1 67 ILE MG 1 72 PHE QD 3.470 . 3.470 3.095 2.680 3.383 . 0 0 "[ . 1]" 1
942 1 67 ILE MG 1 72 PHE HZ 3.930 . 3.930 3.236 2.964 3.655 . 0 0 "[ . 1]" 1
943 1 68 ARG H 1 68 ARG QB 3.050 . 3.050 2.197 2.110 2.294 . 0 0 "[ . 1]" 1
944 1 68 ARG HA 1 68 ARG QD 4.750 . 4.750 3.800 3.363 4.018 . 0 0 "[ . 1]" 1
945 1 68 ARG QB 1 68 ARG QD 3.280 . 3.280 2.120 2.002 2.340 . 0 0 "[ . 1]" 1
946 1 68 ARG QB 1 69 LYS H 3.190 . 3.190 2.643 2.148 2.824 . 0 0 "[ . 1]" 1
947 1 69 LYS HA 1 70 ASP QB 5.340 . 5.340 4.335 4.108 4.468 . 0 0 "[ . 1]" 1
948 1 70 ASP HA 1 72 PHE H 4.470 . 4.470 3.559 3.302 3.841 . 0 0 "[ . 1]" 1
949 1 71 ASP H 1 72 PHE H 3.680 . 3.680 2.719 2.499 2.864 . 0 0 "[ . 1]" 1
950 1 71 ASP HA 1 74 HIS H 3.950 . 3.950 3.073 2.817 3.282 . 0 0 "[ . 1]" 1
951 1 71 ASP HA 1 74 HIS HB2 4.210 . 4.210 2.584 1.950 3.026 . 0 0 "[ . 1]" 1
952 1 71 ASP HA 1 74 HIS HB3 4.210 . 4.210 3.851 3.211 4.234 0.024 10 0 "[ . 1]" 1
953 1 71 ASP HA 1 74 HIS HD2 5.430 . 5.430 3.843 1.953 5.506 0.076 8 0 "[ . 1]" 1
954 1 71 ASP QB 1 74 HIS H 5.150 . 5.150 4.405 3.957 4.708 . 0 0 "[ . 1]" 1
955 1 71 ASP QB 1 74 HIS QB 5.110 . 5.110 3.066 2.395 3.605 . 0 0 "[ . 1]" 1
956 1 71 ASP QB 1 75 ASN H 5.340 . 5.340 4.311 3.450 4.661 . 0 0 "[ . 1]" 1
957 1 72 PHE H 1 72 PHE HB2 3.430 . 3.430 2.816 2.628 2.993 . 0 0 "[ . 1]" 1
958 1 72 PHE H 1 72 PHE HB3 3.390 . 3.390 2.295 2.158 2.505 . 0 0 "[ . 1]" 1
959 1 72 PHE H 1 72 PHE QD 4.250 . 4.250 4.048 3.851 4.205 . 0 0 "[ . 1]" 1
960 1 72 PHE H 1 73 ILE H 3.810 . 3.810 2.751 2.390 3.066 . 0 0 "[ . 1]" 1
961 1 72 PHE H 1 73 ILE HG12 4.330 . 4.330 3.730 3.436 4.349 0.019 2 0 "[ . 1]" 1
962 1 72 PHE H 1 73 ILE MG 4.660 . 4.660 4.387 3.933 4.746 0.086 10 0 "[ . 1]" 1
963 1 72 PHE H 1 74 HIS H 4.540 . 4.540 3.899 3.556 4.358 . 0 0 "[ . 1]" 1
964 1 72 PHE H 1 75 ASN H 5.220 . 5.220 4.961 4.702 5.267 0.047 4 0 "[ . 1]" 1
965 1 72 PHE HA 1 72 PHE QD 3.640 . 3.640 2.700 2.575 2.919 . 0 0 "[ . 1]" 1
966 1 72 PHE HA 1 73 ILE HG12 5.500 . 5.500 5.160 4.934 5.342 . 0 0 "[ . 1]" 1
967 1 72 PHE HB3 1 73 ILE H 3.790 . 3.790 2.569 2.261 3.100 . 0 0 "[ . 1]" 1
968 1 72 PHE HB3 1 73 ILE MD 4.600 . 4.600 4.624 4.343 4.762 0.162 1 0 "[ . 1]" 1
969 1 72 PHE HB3 1 74 HIS H 5.500 . 5.500 4.792 4.489 5.118 . 0 0 "[ . 1]" 1
970 1 72 PHE HB3 1 76 ILE MD 5.130 . 5.130 4.738 4.549 4.959 . 0 0 "[ . 1]" 1
971 1 72 PHE QD 1 73 ILE H 3.790 . 3.790 2.867 2.474 3.261 . 0 0 "[ . 1]" 1
972 1 72 PHE QD 1 73 ILE HA 4.870 . 4.870 3.475 3.202 3.658 . 0 0 "[ . 1]" 1
973 1 72 PHE QD 1 73 ILE HB 5.240 . 5.240 4.604 4.360 4.780 . 0 0 "[ . 1]" 1
974 1 72 PHE QD 1 73 ILE MD 3.830 . 3.830 4.071 3.904 4.277 0.447 6 0 "[ . 1]" 1
975 1 72 PHE QD 1 73 ILE HG12 5.350 . 5.350 4.030 3.825 4.297 . 0 0 "[ . 1]" 1
976 1 72 PHE QD 1 73 ILE HG13 5.500 . 5.500 5.313 5.168 5.492 . 0 0 "[ . 1]" 1
977 1 72 PHE QD 1 73 ILE MG 4.680 . 4.680 2.046 1.792 2.348 . 0 0 "[ . 1]" 1
978 1 72 PHE QD 1 74 HIS H 5.440 . 5.440 5.060 4.814 5.244 . 0 0 "[ . 1]" 1
979 1 72 PHE QD 1 76 ILE MD 4.300 . 4.300 3.225 3.108 3.364 . 0 0 "[ . 1]" 1
980 1 72 PHE QD 1 76 ILE HG12 5.500 . 5.500 5.301 5.137 5.567 0.067 5 0 "[ . 1]" 1
981 1 72 PHE QD 1 76 ILE HG13 5.270 . 5.270 4.379 4.185 4.669 . 0 0 "[ . 1]" 1
982 1 72 PHE HZ 1 76 ILE MD 4.430 . 4.430 2.432 2.143 2.746 . 0 0 "[ . 1]" 1
983 1 72 PHE HZ 1 76 ILE HG12 5.500 . 5.500 4.431 3.689 5.115 . 0 0 "[ . 1]" 1
984 1 72 PHE HZ 1 118 LEU QD 3.970 . 3.970 2.917 2.220 3.468 . 0 0 "[ . 1]" 1
985 1 72 PHE HZ 1 118 LEU HG 4.950 . 4.950 4.409 3.368 4.985 0.035 8 0 "[ . 1]" 1
986 1 73 ILE H 1 73 ILE HB 3.710 . 3.710 3.596 3.561 3.629 . 0 0 "[ . 1]" 1
987 1 73 ILE H 1 73 ILE HG12 3.420 . 3.420 1.808 1.736 1.908 . 0 0 "[ . 1]" 1
988 1 73 ILE H 1 73 ILE MG 3.490 . 3.490 2.361 2.180 2.520 . 0 0 "[ . 1]" 1
989 1 73 ILE H 1 76 ILE H 5.500 . 5.500 4.869 4.647 5.095 . 0 0 "[ . 1]" 1
990 1 73 ILE HA 1 73 ILE HG12 3.890 . 3.890 3.621 3.550 3.669 . 0 0 "[ . 1]" 1
991 1 73 ILE HA 1 73 ILE MG 3.380 . 3.380 2.234 2.159 2.301 . 0 0 "[ . 1]" 1
992 1 73 ILE HA 1 76 ILE H 3.780 . 3.780 3.187 3.069 3.383 . 0 0 "[ . 1]" 1
993 1 73 ILE HA 1 76 ILE HB 4.210 . 4.210 2.595 2.418 2.890 . 0 0 "[ . 1]" 1
994 1 73 ILE HA 1 76 ILE MD 3.530 . 3.530 2.068 1.942 2.224 . 0 0 "[ . 1]" 1
995 1 73 ILE HA 1 76 ILE HG13 4.610 . 4.610 3.123 2.872 3.550 . 0 0 "[ . 1]" 1
996 1 73 ILE HA 1 76 ILE MG 4.600 . 4.600 3.956 3.803 4.183 . 0 0 "[ . 1]" 1
997 1 73 ILE HB 1 75 ASN H 5.500 . 5.500 5.531 5.453 5.632 0.132 1 0 "[ . 1]" 1
998 1 73 ILE HG12 1 73 ILE MG 3.440 . 3.440 2.460 2.318 2.559 . 0 0 "[ . 1]" 1
999 1 73 ILE HG13 1 73 ILE MG 3.740 . 3.740 3.185 3.161 3.197 . 0 0 "[ . 1]" 1
1000 1 73 ILE HG13 1 74 HIS H 4.080 . 4.080 2.509 2.049 2.822 . 0 0 "[ . 1]" 1
1001 1 73 ILE MG 1 74 HIS H 4.200 . 4.200 3.987 3.819 4.075 . 0 0 "[ . 1]" 1
1002 1 73 ILE MG 1 76 ILE HB 4.200 . 4.200 4.077 3.844 4.369 0.169 10 0 "[ . 1]" 1
1003 1 73 ILE MG 1 76 ILE MD 3.200 . 3.200 2.666 2.371 2.955 . 0 0 "[ . 1]" 1
1004 1 73 ILE MG 1 76 ILE MG 4.680 . 4.680 4.470 4.212 4.788 0.108 10 0 "[ . 1]" 1
1005 1 74 HIS H 1 74 HIS HB2 3.640 . 3.640 2.359 2.207 2.532 . 0 0 "[ . 1]" 1
1006 1 74 HIS H 1 74 HIS QB 3.070 . 3.070 2.291 2.185 2.373 . 0 0 "[ . 1]" 1
1007 1 74 HIS H 1 74 HIS HB3 3.640 . 3.640 3.366 2.524 3.577 . 0 0 "[ . 1]" 1
1008 1 74 HIS H 1 75 ASN H 3.670 . 3.670 2.710 2.646 2.807 . 0 0 "[ . 1]" 1
1009 1 74 HIS H 1 76 ILE H 4.570 . 4.570 4.054 3.860 4.174 . 0 0 "[ . 1]" 1
1010 1 74 HIS HA 1 74 HIS HD2 5.100 . 5.100 3.376 2.127 4.547 . 0 0 "[ . 1]" 1
1011 1 74 HIS HA 1 77 VAL MG1 4.430 . 4.430 3.678 3.541 3.812 . 0 0 "[ . 1]" 1
1012 1 74 HIS HA 1 77 VAL MG2 3.770 . 3.770 2.009 1.945 2.061 . 0 0 "[ . 1]" 1
1013 1 74 HIS HA 1 78 HIS H 5.120 . 5.120 4.216 4.014 4.450 . 0 0 "[ . 1]" 1
1014 1 74 HIS HA 1 78 HIS HD2 4.400 . 4.400 4.083 3.138 4.521 0.121 6 0 "[ . 1]" 1
1015 1 74 HIS QB 1 75 ASN H 3.520 . 3.520 2.610 2.487 2.696 . 0 0 "[ . 1]" 1
1016 1 74 HIS HD2 1 75 ASN H 5.160 . 5.160 4.843 3.917 5.208 0.048 9 0 "[ . 1]" 1
1017 1 75 ASN H 1 75 ASN HB2 3.720 . 3.720 2.471 2.292 3.554 . 0 0 "[ . 1]" 1
1018 1 75 ASN H 1 75 ASN QB 3.080 . 3.080 2.304 2.239 2.409 . 0 0 "[ . 1]" 1
1019 1 75 ASN H 1 75 ASN HB3 3.720 . 3.720 3.364 2.292 3.603 . 0 0 "[ . 1]" 1
1020 1 75 ASN H 1 76 ILE H 3.720 . 3.720 2.550 2.489 2.615 . 0 0 "[ . 1]" 1
1021 1 75 ASN H 1 76 ILE MD 4.890 . 4.890 4.938 4.810 5.081 0.191 8 0 "[ . 1]" 1
1022 1 75 ASN H 1 77 VAL MG2 4.510 . 4.510 4.037 3.952 4.156 . 0 0 "[ . 1]" 1
1023 1 75 ASN QB 1 76 ILE H 3.450 . 3.450 2.819 2.605 3.419 . 0 0 "[ . 1]" 1
1024 1 76 ILE H 1 76 ILE MD 4.080 . 4.080 3.474 3.408 3.604 . 0 0 "[ . 1]" 1
1025 1 76 ILE H 1 76 ILE HG12 3.770 . 3.770 3.613 3.434 3.769 . 0 0 "[ . 1]" 1
1026 1 76 ILE H 1 76 ILE MG 3.950 . 3.950 3.736 3.693 3.760 . 0 0 "[ . 1]" 1
1027 1 76 ILE H 1 77 VAL H 3.540 . 3.540 2.604 2.262 2.923 . 0 0 "[ . 1]" 1
1028 1 76 ILE H 1 77 VAL MG1 4.670 . 4.670 4.124 3.814 4.433 . 0 0 "[ . 1]" 1
1029 1 76 ILE H 1 77 VAL MG2 4.020 . 4.020 3.629 3.279 3.758 . 0 0 "[ . 1]" 1
1030 1 76 ILE HA 1 76 ILE HG12 3.860 . 3.860 2.534 2.498 2.580 . 0 0 "[ . 1]" 1
1031 1 76 ILE HA 1 76 ILE MG 3.510 . 3.510 2.393 2.335 2.461 . 0 0 "[ . 1]" 1
1032 1 76 ILE HB 1 77 VAL H 3.400 . 3.400 2.824 2.091 3.007 . 0 0 "[ . 1]" 1
1033 1 76 ILE HB 1 78 HIS H 4.950 . 4.950 4.905 4.424 5.010 0.060 1 0 "[ . 1]" 1
1034 1 76 ILE MD 1 76 ILE MG 3.280 . 3.280 1.910 1.815 2.130 . 0 0 "[ . 1]" 1
1035 1 76 ILE MD 1 77 VAL H 5.500 . 5.500 4.641 4.012 4.816 . 0 0 "[ . 1]" 1
1036 1 76 ILE MD 1 118 LEU HA 5.010 . 5.010 4.513 4.157 4.809 . 0 0 "[ . 1]" 1
1037 1 76 ILE MD 1 118 LEU MD1 4.440 . 4.440 2.131 1.865 2.488 . 0 0 "[ . 1]" 1
1038 1 76 ILE MD 1 118 LEU QD 3.300 . 3.300 2.105 1.852 2.457 . 0 0 "[ . 1]" 1
1039 1 76 ILE MD 1 118 LEU MD2 4.440 . 4.440 3.332 3.001 3.798 . 0 0 "[ . 1]" 1
1040 1 76 ILE MD 1 118 LEU HG 5.260 . 5.260 4.186 3.769 4.681 . 0 0 "[ . 1]" 1
1041 1 76 ILE MD 1 121 TRP HB3 5.500 . 5.500 4.936 4.697 5.184 . 0 0 "[ . 1]" 1
1042 1 76 ILE HG12 1 76 ILE MG 3.620 . 3.620 2.297 2.270 2.320 . 0 0 "[ . 1]" 1
1043 1 76 ILE HG12 1 77 VAL H 5.450 . 5.450 5.089 4.719 5.198 . 0 0 "[ . 1]" 1
1044 1 76 ILE HG13 1 77 VAL MG2 5.500 . 5.500 5.393 5.178 5.628 0.128 2 0 "[ . 1]" 1
1045 1 76 ILE MG 1 77 VAL H 3.780 . 3.780 3.450 2.514 3.682 . 0 0 "[ . 1]" 1
1046 1 76 ILE MG 1 77 VAL HA 4.550 . 4.550 3.431 3.000 3.606 . 0 0 "[ . 1]" 1
1047 1 76 ILE MG 1 77 VAL MG1 4.610 . 4.610 3.030 2.832 3.300 . 0 0 "[ . 1]" 1
1048 1 76 ILE MG 1 78 HIS H 4.990 . 4.990 4.919 4.396 5.102 0.112 6 0 "[ . 1]" 1
1049 1 76 ILE MG 1 79 TYR H 4.890 . 4.890 4.721 4.170 4.943 0.053 6 0 "[ . 1]" 1
1050 1 76 ILE MG 1 118 LEU HA 5.160 . 5.160 4.317 3.979 4.805 . 0 0 "[ . 1]" 1
1051 1 76 ILE MG 1 118 LEU QD 3.810 . 3.810 2.782 2.385 3.331 . 0 0 "[ . 1]" 1
1052 1 76 ILE MG 1 121 TRP HD1 4.810 . 4.810 3.248 3.090 3.479 . 0 0 "[ . 1]" 1
1053 1 76 ILE MG 1 121 TRP HE1 4.140 . 4.140 2.807 2.545 3.061 . 0 0 "[ . 1]" 1
1054 1 76 ILE MG 1 121 TRP HE3 4.890 . 4.890 3.844 3.440 4.295 . 0 0 "[ . 1]" 1
1055 1 76 ILE MG 1 121 TRP HZ3 4.580 . 4.580 4.316 3.859 4.746 0.166 10 0 "[ . 1]" 1
1056 1 77 VAL H 1 77 VAL MG1 3.510 . 3.510 2.424 2.072 2.642 . 0 0 "[ . 1]" 1
1057 1 77 VAL H 1 77 VAL MG2 3.090 . 3.090 1.903 1.867 1.980 . 0 0 "[ . 1]" 1
1058 1 77 VAL H 1 78 HIS H 3.710 . 3.710 2.263 2.130 2.813 . 0 0 "[ . 1]" 1
1059 1 77 VAL H 1 79 TYR H 4.860 . 4.860 3.723 3.591 4.089 . 0 0 "[ . 1]" 1
1060 1 77 VAL HA 1 77 VAL MG1 3.360 . 3.360 2.292 2.205 2.377 . 0 0 "[ . 1]" 1
1061 1 77 VAL HA 1 77 VAL MG2 3.330 . 3.330 3.192 3.184 3.201 . 0 0 "[ . 1]" 1
1062 1 77 VAL HB 1 78 HIS H 4.190 . 4.190 3.931 3.793 4.016 . 0 0 "[ . 1]" 1
1063 1 77 VAL HB 1 78 HIS HD2 4.500 . 4.500 3.784 3.110 4.357 . 0 0 "[ . 1]" 1
1064 1 77 VAL HB 1 79 TYR H 5.310 . 5.310 5.236 5.204 5.311 0.001 6 0 "[ . 1]" 1
1065 1 77 VAL MG1 1 78 HIS H 4.280 . 4.280 3.977 3.944 4.080 . 0 0 "[ . 1]" 1
1066 1 77 VAL MG1 1 78 HIS HA 5.500 . 5.500 5.469 5.428 5.488 . 0 0 "[ . 1]" 1
1067 1 77 VAL MG1 1 78 HIS HD2 5.070 . 5.070 4.636 4.351 4.751 . 0 0 "[ . 1]" 1
1068 1 77 VAL MG1 1 79 TYR H 5.370 . 5.370 5.045 5.002 5.095 . 0 0 "[ . 1]" 1
1069 1 77 VAL MG2 1 78 HIS H 3.640 . 3.640 2.247 2.140 2.347 . 0 0 "[ . 1]" 1
1070 1 77 VAL MG2 1 78 HIS HD2 4.070 . 4.070 1.933 1.842 2.069 . 0 0 "[ . 1]" 1
1071 1 77 VAL MG2 1 79 TYR H 4.500 . 4.500 4.149 4.087 4.200 . 0 0 "[ . 1]" 1
1072 1 78 HIS H 1 78 HIS HB2 3.610 . 3.610 2.233 2.173 2.316 . 0 0 "[ . 1]" 1
1073 1 78 HIS H 1 78 HIS QB 3.140 . 3.140 2.209 2.152 2.289 . 0 0 "[ . 1]" 1
1074 1 78 HIS H 1 78 HIS HB3 3.610 . 3.610 3.505 3.435 3.577 . 0 0 "[ . 1]" 1
1075 1 78 HIS H 1 78 HIS HD2 4.190 . 4.190 3.209 2.985 3.368 . 0 0 "[ . 1]" 1
1076 1 78 HIS H 1 79 TYR H 3.580 . 3.580 2.411 2.355 2.506 . 0 0 "[ . 1]" 1
1077 1 78 HIS H 1 79 TYR QB 4.880 . 4.880 4.180 4.136 4.261 . 0 0 "[ . 1]" 1
1078 1 78 HIS HA 1 78 HIS HD2 4.360 . 4.360 2.862 2.277 3.500 . 0 0 "[ . 1]" 1
1079 1 78 HIS QB 1 79 TYR H 4.370 . 4.370 3.282 3.121 3.438 . 0 0 "[ . 1]" 1
1080 1 79 TYR H 1 79 TYR HB2 3.490 . 3.490 2.403 2.258 2.533 . 0 0 "[ . 1]" 1
1081 1 79 TYR H 1 79 TYR HB3 3.490 . 3.490 2.683 2.540 2.869 . 0 0 "[ . 1]" 1
1082 1 79 TYR H 1 80 ASP H 4.920 . 4.920 4.521 4.369 4.587 . 0 0 "[ . 1]" 1
1083 1 79 TYR HA 1 79 TYR QD 3.820 . 3.820 2.846 2.554 3.043 . 0 0 "[ . 1]" 1
1084 1 79 TYR HA 1 79 TYR QE 5.000 . 5.000 4.539 4.484 4.574 . 0 0 "[ . 1]" 1
1085 1 79 TYR QB 1 121 TRP HH2 4.990 . 4.990 4.188 3.830 4.488 . 0 0 "[ . 1]" 1
1086 1 79 TYR QB 1 121 TRP HZ2 4.080 . 4.080 2.574 2.313 2.724 . 0 0 "[ . 1]" 1
1087 1 79 TYR HB2 1 121 TRP HE1 4.560 . 4.560 4.395 4.053 4.736 0.176 6 0 "[ . 1]" 1
1088 1 79 TYR HB3 1 121 TRP HE1 4.560 . 4.560 3.753 3.500 4.083 . 0 0 "[ . 1]" 1
1089 1 79 TYR QD 1 81 THR MG 4.220 . 4.220 3.573 2.340 4.458 0.238 3 0 "[ . 1]" 1
1090 1 79 TYR QD 1 83 LEU QD 4.400 . 4.400 4.092 3.235 4.543 0.143 6 0 "[ . 1]" 1
1091 1 79 TYR QD 1 85 MET ME 5.500 . 5.500 4.973 3.660 5.741 0.241 8 0 "[ . 1]" 1
1092 1 79 TYR QE 1 81 THR HA 3.790 . 3.790 2.516 2.061 2.974 . 0 0 "[ . 1]" 1
1093 1 79 TYR QE 1 81 THR HB 5.490 . 5.490 4.949 3.650 5.453 . 0 0 "[ . 1]" 1
1094 1 79 TYR QE 1 81 THR MG 3.910 . 3.910 3.433 1.963 3.901 . 0 0 "[ . 1]" 1
1095 1 79 TYR QE 1 83 LEU QD 4.040 . 4.040 3.407 2.386 4.169 0.129 6 0 "[ . 1]" 1
1096 1 79 TYR QE 1 85 MET ME 4.530 . 4.530 3.381 1.943 4.024 . 0 0 "[ . 1]" 1
1097 1 80 ASP HA 1 83 LEU QD 5.010 . 5.010 4.551 4.067 4.921 . 0 0 "[ . 1]" 1
1098 1 80 ASP QB 1 83 LEU QD 3.710 . 3.710 2.462 1.873 3.015 . 0 0 "[ . 1]" 1
1099 1 80 ASP QB 1 83 LEU HG 3.990 . 3.990 3.068 2.459 4.047 0.057 10 0 "[ . 1]" 1
1100 1 80 ASP HB2 1 83 LEU HG 4.860 . 4.860 3.966 2.741 4.920 0.060 6 0 "[ . 1]" 1
1101 1 80 ASP HB3 1 83 LEU HG 4.860 . 4.860 3.524 2.478 4.911 0.051 10 0 "[ . 1]" 1
1102 1 81 THR H 1 81 THR MG 4.150 . 4.150 2.774 2.062 3.729 . 0 0 "[ . 1]" 1
1103 1 81 THR H 1 82 THR H 4.660 . 4.660 2.733 2.534 2.868 . 0 0 "[ . 1]" 1
1104 1 81 THR HA 1 132 LEU MD1 4.260 . 4.260 4.303 4.169 4.584 0.324 6 0 "[ . 1]" 1
1105 1 81 THR HB 1 128 PHE QE 4.660 . 4.660 3.219 1.897 4.175 . 0 0 "[ . 1]" 1
1106 1 81 THR HB 1 132 LEU MD2 5.090 . 5.090 4.000 3.300 4.736 . 0 0 "[ . 1]" 1
1107 1 81 THR MG 1 129 SER H 5.500 . 5.500 5.253 3.846 5.707 0.207 10 0 "[ . 1]" 1
1108 1 81 THR MG 1 132 LEU MD1 4.120 . 4.120 2.849 1.914 3.551 . 0 0 "[ . 1]" 1
1109 1 81 THR MG 1 132 LEU MD2 4.290 . 4.290 3.862 2.836 4.457 0.167 7 0 "[ . 1]" 1
1110 1 82 THR H 1 82 THR MG 3.830 . 3.830 2.914 1.909 3.758 . 0 0 "[ . 1]" 1
1111 1 82 THR H 1 83 LEU H 4.270 . 4.270 3.417 2.991 4.499 0.229 5 0 "[ . 1]" 1
1112 1 82 THR H 1 83 LEU QD 5.200 . 5.200 4.608 4.056 5.065 . 0 0 "[ . 1]" 1
1113 1 82 THR H 1 83 LEU HG 4.890 . 4.890 4.710 4.176 4.958 0.068 1 0 "[ . 1]" 1
1114 1 83 LEU H 1 83 LEU QD 4.170 . 4.170 2.893 2.027 4.069 . 0 0 "[ . 1]" 1
1115 1 83 LEU HA 1 83 LEU MD1 4.000 . 4.000 3.809 3.627 3.960 . 0 0 "[ . 1]" 1
1116 1 83 LEU HA 1 83 LEU QD 3.430 . 3.430 2.551 1.996 3.423 . 0 0 "[ . 1]" 1
1117 1 83 LEU HA 1 83 LEU MD2 4.000 . 4.000 2.688 2.003 3.931 . 0 0 "[ . 1]" 1
1118 1 84 HIS QB 1 85 MET H 3.990 . 3.990 2.836 1.976 3.708 . 0 0 "[ . 1]" 1
1119 1 89 ILE H 1 89 ILE QG 4.440 . 4.440 3.435 2.117 4.021 . 0 0 "[ . 1]" 1
1120 1 89 ILE H 1 89 ILE MG 3.760 . 3.760 2.861 2.128 3.744 . 0 0 "[ . 1]" 1
1121 1 89 ILE H 1 90 ARG H 3.920 . 3.920 2.522 2.383 2.659 . 0 0 "[ . 1]" 1
1122 1 89 ILE H 1 90 ARG QG 4.130 . 4.130 4.052 3.714 4.317 0.187 8 0 "[ . 1]" 1
1123 1 89 ILE HA 1 89 ILE MD 3.790 . 3.790 2.964 1.975 3.658 . 0 0 "[ . 1]" 1
1124 1 89 ILE HA 1 89 ILE HG12 4.030 . 4.030 3.027 2.620 3.518 . 0 0 "[ . 1]" 1
1125 1 89 ILE HA 1 89 ILE HG13 4.030 . 4.030 2.630 2.031 3.703 . 0 0 "[ . 1]" 1
1126 1 89 ILE HA 1 89 ILE MG 3.550 . 3.550 2.905 2.331 3.189 . 0 0 "[ . 1]" 1
1127 1 89 ILE HA 1 92 TYR QB 3.740 . 3.740 2.614 2.316 3.787 0.047 7 0 "[ . 1]" 1
1128 1 89 ILE HB 1 89 ILE MD 3.250 . 3.250 2.489 2.096 3.209 . 0 0 "[ . 1]" 1
1129 1 89 ILE MD 1 92 TYR QB 4.740 . 4.740 3.835 3.318 4.321 . 0 0 "[ . 1]" 1
1130 1 89 ILE QG 1 89 ILE MG 2.880 . 2.880 2.198 2.043 2.412 . 0 0 "[ . 1]" 1
1131 1 89 ILE HG12 1 89 ILE MG 3.420 . 3.420 2.478 2.111 3.197 . 0 0 "[ . 1]" 1
1132 1 89 ILE HG13 1 89 ILE MG 3.420 . 3.420 2.873 2.331 3.186 . 0 0 "[ . 1]" 1
1133 1 89 ILE MG 1 90 ARG H 3.550 . 3.550 2.637 1.906 3.488 . 0 0 "[ . 1]" 1
1134 1 89 ILE MG 1 90 ARG QD 4.730 . 4.730 4.101 2.061 4.797 0.067 7 0 "[ . 1]" 1
1135 1 89 ILE MG 1 90 ARG QG 4.280 . 4.280 3.120 2.282 3.974 . 0 0 "[ . 1]" 1
1136 1 89 ILE MG 1 92 TYR H 5.070 . 5.070 4.677 4.464 4.880 . 0 0 "[ . 1]" 1
1137 1 90 ARG H 1 90 ARG QB 3.500 . 3.500 2.390 2.266 2.576 . 0 0 "[ . 1]" 1
1138 1 90 ARG H 1 90 ARG QD 4.200 . 4.200 3.851 2.589 4.287 0.087 6 0 "[ . 1]" 1
1139 1 90 ARG H 1 91 LYS H 3.790 . 3.790 2.853 2.813 2.894 . 0 0 "[ . 1]" 1
1140 1 90 ARG H 1 92 TYR H 4.630 . 4.630 4.157 3.991 4.528 . 0 0 "[ . 1]" 1
1141 1 90 ARG HA 1 90 ARG QD 4.260 . 4.260 2.931 1.968 4.252 . 0 0 "[ . 1]" 1
1142 1 90 ARG HA 1 93 MET ME 4.710 . 4.710 4.080 3.040 4.888 0.178 10 0 "[ . 1]" 1
1143 1 90 ARG HA 1 93 MET HG2 4.960 . 4.960 4.622 3.825 5.027 0.067 5 0 "[ . 1]" 1
1144 1 90 ARG HA 1 93 MET QG 4.350 . 4.350 3.255 2.501 3.711 . 0 0 "[ . 1]" 1
1145 1 90 ARG HA 1 93 MET HG3 4.960 . 4.960 3.336 2.528 3.822 . 0 0 "[ . 1]" 1
1146 1 90 ARG HA 1 126 ILE MG 4.840 . 4.840 5.069 4.954 5.236 0.396 4 0 "[ . 1]" 1
1147 1 90 ARG QB 1 91 LYS H 3.760 . 3.760 2.472 2.249 3.470 . 0 0 "[ . 1]" 1
1148 1 90 ARG QD 1 126 ILE MD 4.900 . 4.900 3.823 2.888 4.676 . 0 0 "[ . 1]" 1
1149 1 90 ARG QD 1 126 ILE MG 3.770 . 3.770 2.738 2.163 3.694 . 0 0 "[ . 1]" 1
1150 1 91 LYS H 1 92 TYR H 3.720 . 3.720 2.723 2.594 2.840 . 0 0 "[ . 1]" 1
1151 1 91 LYS HA 1 92 TYR HA 4.830 . 4.830 4.830 4.737 4.870 0.040 5 0 "[ . 1]" 1
1152 1 92 TYR H 1 92 TYR QB 3.220 . 3.220 2.289 2.229 2.550 . 0 0 "[ . 1]" 1
1153 1 92 TYR H 1 92 TYR QD 4.370 . 4.370 4.002 2.448 4.197 . 0 0 "[ . 1]" 1
1154 1 92 TYR H 1 93 MET H 4.050 . 4.050 2.659 2.464 2.755 . 0 0 "[ . 1]" 1
1155 1 92 TYR H 1 94 GLU H 4.080 . 4.080 4.050 3.871 4.152 0.072 1 0 "[ . 1]" 1
1156 1 92 TYR H 1 94 GLU HB2 5.130 . 5.130 5.167 5.082 5.262 0.132 9 0 "[ . 1]" 1
1157 1 92 TYR H 1 94 GLU HG3 5.500 . 5.500 5.348 4.850 5.542 0.042 10 0 "[ . 1]" 1
1158 1 92 TYR HA 1 92 TYR QD 3.950 . 3.950 2.674 2.516 2.850 . 0 0 "[ . 1]" 1
1159 1 92 TYR HA 1 92 TYR QE 5.030 . 5.030 4.581 4.534 4.671 . 0 0 "[ . 1]" 1
1160 1 92 TYR HA 1 94 GLU HB2 5.260 . 5.260 5.161 5.019 5.353 0.093 2 0 "[ . 1]" 1
1161 1 92 TYR QB 1 93 MET H 3.910 . 3.910 2.705 2.603 2.804 . 0 0 "[ . 1]" 1
1162 1 92 TYR QD 1 93 MET H 3.900 . 3.900 3.544 3.313 3.886 . 0 0 "[ . 1]" 1
1163 1 92 TYR QD 1 93 MET HG2 5.500 . 5.500 3.438 2.760 4.992 . 0 0 "[ . 1]" 1
1164 1 92 TYR QD 1 93 MET QG 4.770 . 4.770 2.944 2.485 4.495 . 0 0 "[ . 1]" 1
1165 1 92 TYR QD 1 93 MET HG3 5.500 . 5.500 3.507 2.561 5.102 . 0 0 "[ . 1]" 1
1166 1 92 TYR QE 1 93 MET H 5.500 . 5.500 5.553 5.261 5.921 0.421 7 0 "[ . 1]" 1
1167 1 93 MET H 1 93 MET ME 5.500 . 5.500 4.622 4.256 4.813 . 0 0 "[ . 1]" 1
1168 1 93 MET H 1 93 MET QG 3.540 . 3.540 2.404 2.181 2.684 . 0 0 "[ . 1]" 1
1169 1 93 MET H 1 98 LEU QD 4.540 . 4.540 4.293 4.005 4.609 0.069 7 0 "[ . 1]" 1
1170 1 93 MET QB 1 94 GLU HA 4.410 . 4.410 3.940 3.850 3.982 . 0 0 "[ . 1]" 1
1171 1 93 MET ME 1 103 PHE QE 3.780 . 3.780 3.686 2.754 3.975 0.195 10 0 "[ . 1]" 1
1172 1 93 MET ME 1 122 VAL QG 4.100 . 4.100 2.775 2.072 3.664 . 0 0 "[ . 1]" 1
1173 1 93 MET ME 1 126 ILE MD 3.190 . 3.190 2.999 2.664 3.223 0.033 8 0 "[ . 1]" 1
1174 1 93 MET QG 1 98 LEU QD 3.910 . 3.910 3.861 3.665 4.049 0.139 2 0 "[ . 1]" 1
1175 1 94 GLU H 1 94 GLU HG2 3.720 . 3.720 3.450 2.584 3.678 . 0 0 "[ . 1]" 1
1176 1 94 GLU H 1 94 GLU HG3 3.670 . 3.670 2.355 2.262 2.520 . 0 0 "[ . 1]" 1
1177 1 94 GLU HA 1 94 GLU HG2 3.260 . 3.260 2.421 2.309 2.512 . 0 0 "[ . 1]" 1
1178 1 94 GLU HA 1 94 GLU HG3 4.130 . 4.130 2.994 2.834 3.579 . 0 0 "[ . 1]" 1
1179 1 94 GLU HA 1 98 LEU H 3.740 . 3.740 2.931 2.537 3.160 . 0 0 "[ . 1]" 1
1180 1 94 GLU HA 1 98 LEU HB2 4.270 . 4.270 1.999 1.693 2.324 . 0 0 "[ . 1]" 1
1181 1 94 GLU HA 1 98 LEU QB 3.600 . 3.600 1.988 1.683 2.308 . 0 0 "[ . 1]" 1
1182 1 94 GLU HA 1 98 LEU HB3 4.270 . 4.270 3.574 2.940 3.954 . 0 0 "[ . 1]" 1
1183 1 94 GLU HA 1 98 LEU MD1 4.140 . 4.140 2.630 1.999 4.327 0.187 3 0 "[ . 1]" 1
1184 1 94 GLU HA 1 98 LEU QD 3.280 . 3.280 2.256 1.988 2.772 . 0 0 "[ . 1]" 1
1185 1 94 GLU HA 1 98 LEU MD2 4.140 . 4.140 3.235 2.456 4.482 0.342 9 0 "[ . 1]" 1
1186 1 94 GLU HA 1 98 LEU HG 3.950 . 3.950 3.816 2.696 4.383 0.433 8 0 "[ . 1]" 1
1187 1 94 GLU HB2 1 95 GLU H 3.390 . 3.390 3.344 2.374 3.617 0.227 10 0 "[ . 1]" 1
1188 1 94 GLU HG2 1 98 LEU MD1 4.140 . 4.140 2.729 1.884 4.191 0.051 7 0 "[ . 1]" 1
1189 1 94 GLU HG2 1 98 LEU QD 3.480 . 3.480 2.214 1.869 3.610 0.130 7 0 "[ . 1]" 1
1190 1 94 GLU HG2 1 98 LEU MD2 4.140 . 4.140 2.832 1.970 4.439 0.299 10 0 "[ . 1]" 1
1191 1 94 GLU HG2 1 98 LEU HG 4.760 . 4.760 4.001 2.228 4.953 0.193 1 0 "[ . 1]" 1
1192 1 94 GLU HG3 1 98 LEU MD1 4.930 . 4.930 3.183 2.126 4.971 0.041 7 0 "[ . 1]" 1
1193 1 94 GLU HG3 1 98 LEU QD 3.930 . 3.930 2.703 2.101 3.851 . 0 0 "[ . 1]" 1
1194 1 94 GLU HG3 1 98 LEU MD2 4.930 . 4.930 3.598 2.812 4.824 . 0 0 "[ . 1]" 1
1195 1 95 GLU H 1 95 GLU QG 3.150 . 3.150 2.385 2.049 2.635 . 0 0 "[ . 1]" 1
1196 1 95 GLU HA 1 95 GLU HG2 3.800 . 3.800 2.642 2.098 3.005 . 0 0 "[ . 1]" 1
1197 1 95 GLU HA 1 95 GLU QG 3.290 . 3.290 2.565 2.069 2.883 . 0 0 "[ . 1]" 1
1198 1 95 GLU HA 1 95 GLU HG3 3.800 . 3.800 3.518 2.887 3.709 . 0 0 "[ . 1]" 1
1199 1 95 GLU QB 1 96 GLU H 3.270 . 3.270 2.385 1.905 2.612 . 0 0 "[ . 1]" 1
1200 1 95 GLU QB 1 96 GLU HB3 4.680 . 4.680 3.857 3.466 4.064 . 0 0 "[ . 1]" 1
1201 1 95 GLU QB 1 96 GLU QG 4.150 . 4.150 2.353 2.089 2.598 . 0 0 "[ . 1]" 1
1202 1 95 GLU QB 1 97 PHE H 4.430 . 4.430 3.507 3.102 3.797 . 0 0 "[ . 1]" 1
1203 1 96 GLU H 1 96 GLU HB2 3.830 . 3.830 3.845 3.722 3.964 0.134 10 0 "[ . 1]" 1
1204 1 96 GLU H 1 97 PHE H 3.670 . 3.670 1.610 1.534 1.769 . 0 0 "[ . 1]" 1
1205 1 96 GLU H 1 97 PHE HB2 3.690 . 3.690 3.640 3.387 3.829 0.139 6 0 "[ . 1]" 1
1206 1 96 GLU H 1 98 LEU H 4.060 . 4.060 3.496 3.230 3.810 . 0 0 "[ . 1]" 1
1207 1 96 GLU HB2 1 97 PHE H 3.930 . 3.930 3.978 3.789 4.053 0.123 7 0 "[ . 1]" 1
1208 1 96 GLU HB2 1 97 PHE HA 4.710 . 4.710 4.436 4.243 4.655 . 0 0 "[ . 1]" 1
1209 1 96 GLU HB3 1 97 PHE QD 5.500 . 5.500 5.115 4.786 5.496 . 0 0 "[ . 1]" 1
1210 1 96 GLU QG 1 97 PHE H 3.830 . 3.830 2.635 2.383 3.011 . 0 0 "[ . 1]" 1
1211 1 96 GLU QG 1 97 PHE HB2 4.950 . 4.950 4.301 3.851 4.815 . 0 0 "[ . 1]" 1
1212 1 96 GLU QG 1 97 PHE QD 4.970 . 4.970 2.476 1.918 3.015 . 0 0 "[ . 1]" 1
1213 1 97 PHE H 1 97 PHE HB2 4.100 . 4.100 2.304 2.129 2.504 . 0 0 "[ . 1]" 1
1214 1 97 PHE H 1 97 PHE HB3 3.940 . 3.940 3.528 3.437 3.598 . 0 0 "[ . 1]" 1
1215 1 97 PHE H 1 97 PHE QD 4.110 . 4.110 2.375 1.983 3.029 . 0 0 "[ . 1]" 1
1216 1 97 PHE H 1 98 LEU H 3.570 . 3.570 2.575 2.491 2.714 . 0 0 "[ . 1]" 1
1217 1 97 PHE H 1 98 LEU QD 4.330 . 4.330 4.042 3.640 4.639 0.309 9 0 "[ . 1]" 1
1218 1 97 PHE H 1 99 SER H 4.610 . 4.610 3.752 3.420 3.869 . 0 0 "[ . 1]" 1
1219 1 97 PHE H 1 99 SER QB 5.260 . 5.260 4.905 4.575 5.363 0.103 2 0 "[ . 1]" 1
1220 1 97 PHE HA 1 97 PHE QD 3.980 . 3.980 2.660 1.892 3.024 . 0 0 "[ . 1]" 1
1221 1 97 PHE HA 1 98 LEU QD 4.700 . 4.700 4.507 4.190 4.998 0.298 9 0 "[ . 1]" 1
1222 1 97 PHE HB2 1 98 LEU H 3.890 . 3.890 2.696 2.252 2.985 . 0 0 "[ . 1]" 1
1223 1 97 PHE HB2 1 99 SER H 5.140 . 5.140 4.825 4.456 5.030 . 0 0 "[ . 1]" 1
1224 1 97 PHE HB3 1 98 LEU H 4.210 . 4.210 3.441 3.228 3.677 . 0 0 "[ . 1]" 1
1225 1 97 PHE HB3 1 98 LEU QD 5.180 . 5.180 3.210 2.653 3.830 . 0 0 "[ . 1]" 1
1226 1 97 PHE HB3 1 99 SER H 5.430 . 5.430 5.282 4.993 5.602 0.172 8 0 "[ . 1]" 1
1227 1 97 PHE QD 1 99 SER H 5.500 . 5.500 5.522 5.199 5.649 0.149 2 0 "[ . 1]" 1
1228 1 98 LEU H 1 98 LEU QB 3.070 . 3.070 2.216 2.094 2.469 . 0 0 "[ . 1]" 1
1229 1 98 LEU H 1 98 LEU QD 3.270 . 3.270 2.440 1.937 3.147 . 0 0 "[ . 1]" 1
1230 1 98 LEU H 1 99 SER H 3.750 . 3.750 2.436 2.245 2.547 . 0 0 "[ . 1]" 1
1231 1 98 LEU H 1 100 ASP H 4.650 . 4.650 4.203 4.049 4.422 . 0 0 "[ . 1]" 1
1232 1 98 LEU HA 1 98 LEU MD1 3.850 . 3.850 2.813 1.959 3.842 . 0 0 "[ . 1]" 1
1233 1 98 LEU HA 1 98 LEU QD 3.290 . 3.290 2.374 1.770 2.862 . 0 0 "[ . 1]" 1
1234 1 98 LEU HA 1 98 LEU MD2 3.850 . 3.850 2.976 2.010 3.671 . 0 0 "[ . 1]" 1
1235 1 98 LEU HA 1 103 PHE QD 3.960 . 3.960 2.795 2.419 3.263 . 0 0 "[ . 1]" 1
1236 1 98 LEU QB 1 98 LEU QD 2.710 . 2.710 1.930 1.855 2.051 . 0 0 "[ . 1]" 1
1237 1 98 LEU QB 1 99 SER H 3.630 . 3.630 2.950 2.680 3.397 . 0 0 "[ . 1]" 1
1238 1 98 LEU QB 1 103 PHE QD 5.010 . 5.010 4.605 3.891 5.118 0.108 8 0 "[ . 1]" 1
1239 1 98 LEU HB2 1 100 ASP H 5.340 . 5.340 5.267 5.113 5.511 0.171 1 0 "[ . 1]" 1
1240 1 98 LEU HB3 1 100 ASP H 5.340 . 5.340 5.348 5.086 5.488 0.148 4 0 "[ . 1]" 1
1241 1 98 LEU QD 1 99 SER H 4.330 . 4.330 4.012 3.844 4.420 0.090 9 0 "[ . 1]" 1
1242 1 98 LEU QD 1 103 PHE QD 3.860 . 3.860 3.280 2.196 4.038 0.178 5 0 "[ . 1]" 1
1243 1 98 LEU QD 1 103 PHE QE 3.920 . 3.920 3.219 2.493 3.923 0.003 8 0 "[ . 1]" 1
1244 1 98 LEU QD 1 103 PHE HZ 5.440 . 5.440 4.914 4.174 5.567 0.127 4 0 "[ . 1]" 1
1245 1 98 LEU HG 1 103 PHE QD 5.250 . 5.250 4.140 2.241 5.326 0.076 10 0 "[ . 1]" 1
1246 1 98 LEU HG 1 103 PHE QE 5.250 . 5.250 4.361 2.876 5.322 0.072 10 0 "[ . 1]" 1
1247 1 99 SER H 1 99 SER QB 3.160 . 3.160 2.469 2.279 2.818 . 0 0 "[ . 1]" 1
1248 1 99 SER H 1 100 ASP H 3.380 . 3.380 2.589 2.518 2.740 . 0 0 "[ . 1]" 1
1249 1 99 SER QB 1 100 ASP H 4.190 . 4.190 3.113 2.506 4.023 . 0 0 "[ . 1]" 1
1250 1 100 ASP H 1 100 ASP QB 3.470 . 3.470 2.332 2.122 2.553 . 0 0 "[ . 1]" 1
1251 1 100 ASP H 1 101 PRO QD 4.840 . 4.840 4.136 3.871 4.291 . 0 0 "[ . 1]" 1
1252 1 100 ASP H 1 103 PHE H 5.500 . 5.500 5.138 4.499 5.469 . 0 0 "[ . 1]" 1
1253 1 100 ASP H 1 103 PHE QB 4.400 . 4.400 4.086 3.386 4.510 0.110 1 0 "[ . 1]" 1
1254 1 100 ASP HA 1 101 PRO QD 3.140 . 3.140 1.958 1.926 1.989 . 0 0 "[ . 1]" 1
1255 1 100 ASP HA 1 101 PRO HG2 4.240 . 4.240 4.309 4.254 4.378 0.138 9 0 "[ . 1]" 1
1256 1 100 ASP QB 1 101 PRO QD 4.540 . 4.540 3.289 2.636 3.679 . 0 0 "[ . 1]" 1
1257 1 100 ASP QB 1 103 PHE H 4.180 . 4.180 3.009 2.758 3.315 . 0 0 "[ . 1]" 1
1258 1 100 ASP QB 1 103 PHE QB 4.730 . 4.730 2.331 2.053 2.931 . 0 0 "[ . 1]" 1
1259 1 100 ASP QB 1 103 PHE QD 4.740 . 4.740 4.144 3.674 4.756 0.016 1 0 "[ . 1]" 1
1260 1 101 PRO HA 1 103 PHE H 3.920 . 3.920 3.633 3.500 3.732 . 0 0 "[ . 1]" 1
1261 1 101 PRO HB2 1 102 ASN H 3.900 . 3.900 3.596 3.087 3.755 . 0 0 "[ . 1]" 1
1262 1 101 PRO HB2 1 102 ASN HA 5.120 . 5.120 4.228 4.035 4.326 . 0 0 "[ . 1]" 1
1263 1 101 PRO QD 1 103 PHE H 4.770 . 4.770 4.455 4.333 4.589 . 0 0 "[ . 1]" 1
1264 1 101 PRO HG2 1 102 ASN HA 5.500 . 5.500 4.647 4.376 6.045 0.545 3 1 "[ + . 1]" 1
1265 1 102 ASN H 1 102 ASN HB2 3.200 . 3.200 2.565 2.379 3.535 0.335 7 0 "[ . 1]" 1
1266 1 102 ASN H 1 103 PHE H 3.400 . 3.400 2.453 2.405 2.525 . 0 0 "[ . 1]" 1
1267 1 102 ASN H 1 103 PHE QB 4.560 . 4.560 4.073 3.857 4.250 . 0 0 "[ . 1]" 1
1268 1 102 ASN H 1 104 THR H 5.400 . 5.400 5.304 5.201 5.395 . 0 0 "[ . 1]" 1
1269 1 102 ASN H 1 107 THR MG 5.070 . 5.070 4.535 4.362 4.690 . 0 0 "[ . 1]" 1
1270 1 102 ASN HA 1 103 PHE H 3.420 . 3.420 3.352 3.217 3.430 0.010 7 0 "[ . 1]" 1
1271 1 102 ASN HA 1 104 THR MG 3.850 . 3.850 3.018 2.855 3.284 . 0 0 "[ . 1]" 1
1272 1 102 ASN HA 1 107 THR HB 4.760 . 4.760 3.090 2.790 3.403 . 0 0 "[ . 1]" 1
1273 1 102 ASN HA 1 107 THR MG 3.680 . 3.680 2.114 1.988 2.326 . 0 0 "[ . 1]" 1
1274 1 102 ASN HA 1 108 ILE H 5.100 . 5.100 5.309 5.162 5.456 0.356 6 0 "[ . 1]" 1
1275 1 102 ASN HB2 1 103 PHE H 3.880 . 3.880 3.478 3.224 3.978 0.098 7 0 "[ . 1]" 1
1276 1 102 ASN HB2 1 107 THR MG 3.610 . 3.610 3.556 2.322 3.778 0.168 9 0 "[ . 1]" 1
1277 1 103 PHE H 1 103 PHE QB 3.530 . 3.530 2.306 2.253 2.375 . 0 0 "[ . 1]" 1
1278 1 103 PHE H 1 104 THR H 3.690 . 3.690 3.510 3.418 3.560 . 0 0 "[ . 1]" 1
1279 1 103 PHE H 1 104 THR MG 4.100 . 4.100 3.832 3.463 4.090 . 0 0 "[ . 1]" 1
1280 1 103 PHE H 1 108 ILE MD 4.830 . 4.830 4.531 4.149 4.925 0.095 4 0 "[ . 1]" 1
1281 1 103 PHE HA 1 103 PHE QD 3.640 . 3.640 1.915 1.638 2.061 . 0 0 "[ . 1]" 1
1282 1 103 PHE HA 1 103 PHE QE 4.240 . 4.240 4.091 3.971 4.165 . 0 0 "[ . 1]" 1
1283 1 103 PHE HA 1 104 THR H 3.260 . 3.260 2.538 2.489 2.597 . 0 0 "[ . 1]" 1
1284 1 103 PHE HA 1 104 THR MG 4.680 . 4.680 4.141 3.978 4.262 . 0 0 "[ . 1]" 1
1285 1 103 PHE HA 1 108 ILE MD 3.730 . 3.730 2.264 2.019 2.585 . 0 0 "[ . 1]" 1
1286 1 103 PHE HA 1 119 TYR HB2 4.850 . 4.850 5.055 4.934 5.293 0.443 6 0 "[ . 1]" 1
1287 1 103 PHE QB 1 104 THR H 4.130 . 4.130 3.993 3.982 4.013 . 0 0 "[ . 1]" 1
1288 1 103 PHE QD 1 108 ILE MD 3.890 . 3.890 2.054 1.811 2.219 . 0 0 "[ . 1]" 1
1289 1 103 PHE QD 1 108 ILE MG 5.490 . 5.490 4.720 4.193 5.304 . 0 0 "[ . 1]" 1
1290 1 103 PHE QD 1 119 TYR HB2 4.490 . 4.490 4.341 3.624 4.666 0.176 3 0 "[ . 1]" 1
1291 1 103 PHE QD 1 119 TYR QE 4.200 . 4.200 3.322 2.759 4.035 . 0 0 "[ . 1]" 1
1292 1 103 PHE QE 1 108 ILE MD 4.070 . 4.070 2.952 2.574 3.279 . 0 0 "[ . 1]" 1
1293 1 103 PHE QE 1 119 TYR HB2 3.800 . 3.800 3.542 2.703 3.882 0.082 1 0 "[ . 1]" 1
1294 1 103 PHE QE 1 126 ILE MD 4.190 . 4.190 4.043 3.734 4.330 0.140 2 0 "[ . 1]" 1
1295 1 103 PHE HZ 1 122 VAL QG 3.900 . 3.900 2.087 1.785 2.579 . 0 0 "[ . 1]" 1
1296 1 103 PHE HZ 1 123 ASN H 5.150 . 5.150 5.268 5.118 5.411 0.261 6 0 "[ . 1]" 1
1297 1 103 PHE HZ 1 126 ILE MD 5.240 . 5.240 5.093 4.830 5.284 0.044 5 0 "[ . 1]" 1
1298 1 104 THR H 1 104 THR MG 3.390 . 3.390 2.101 1.979 2.252 . 0 0 "[ . 1]" 1
1299 1 104 THR H 1 105 TYR H 4.680 . 4.680 4.466 4.445 4.482 . 0 0 "[ . 1]" 1
1300 1 104 THR H 1 107 THR HB 3.940 . 3.940 2.536 2.419 2.774 . 0 0 "[ . 1]" 1
1301 1 104 THR H 1 108 ILE H 4.390 . 4.390 3.098 2.969 3.252 . 0 0 "[ . 1]" 1
1302 1 104 THR H 1 108 ILE HB 4.680 . 4.680 4.145 3.816 4.432 . 0 0 "[ . 1]" 1
1303 1 104 THR H 1 108 ILE MD 3.860 . 3.860 3.084 2.218 3.657 . 0 0 "[ . 1]" 1
1304 1 104 THR H 1 108 ILE QG 4.710 . 4.710 3.146 2.206 4.615 . 0 0 "[ . 1]" 1
1305 1 104 THR H 1 108 ILE MG 5.500 . 5.500 5.137 5.010 5.274 . 0 0 "[ . 1]" 1
1306 1 104 THR HA 1 104 THR MG 3.410 . 3.410 3.174 3.133 3.193 . 0 0 "[ . 1]" 1
1307 1 104 THR HA 1 105 TYR H 3.340 . 3.340 2.440 2.394 2.497 . 0 0 "[ . 1]" 1
1308 1 104 THR HA 1 107 THR H 5.400 . 5.400 5.050 4.969 5.191 . 0 0 "[ . 1]" 1
1309 1 104 THR HA 1 108 ILE H 4.980 . 4.980 4.905 4.794 5.033 0.053 3 0 "[ . 1]" 1
1310 1 104 THR HA 1 108 ILE HB 5.110 . 5.110 5.118 4.909 5.273 0.163 10 0 "[ . 1]" 1
1311 1 104 THR HA 1 108 ILE MD 5.190 . 5.190 4.790 4.005 5.365 0.175 1 0 "[ . 1]" 1
1312 1 104 THR HA 1 119 TYR QE 4.150 . 4.150 3.412 3.195 3.599 . 0 0 "[ . 1]" 1
1313 1 104 THR HB 1 105 TYR QB 5.480 . 5.480 5.336 5.231 5.382 . 0 0 "[ . 1]" 1
1314 1 104 THR MG 1 105 TYR H 3.980 . 3.980 3.554 3.393 3.741 . 0 0 "[ . 1]" 1
1315 1 104 THR MG 1 105 TYR HA 4.870 . 4.870 4.590 4.467 4.800 . 0 0 "[ . 1]" 1
1316 1 104 THR MG 1 106 GLU H 4.030 . 4.030 2.886 2.199 3.309 . 0 0 "[ . 1]" 1
1317 1 104 THR MG 1 108 ILE H 3.630 . 3.630 2.820 2.677 3.095 . 0 0 "[ . 1]" 1
1318 1 105 TYR H 1 105 TYR QB 3.730 . 3.730 2.241 2.209 2.260 . 0 0 "[ . 1]" 1
1319 1 105 TYR H 1 105 TYR QD 4.090 . 4.090 4.136 4.104 4.172 0.082 3 0 "[ . 1]" 1
1320 1 105 TYR H 1 119 TYR QD 4.340 . 4.340 3.981 3.706 4.211 . 0 0 "[ . 1]" 1
1321 1 105 TYR H 1 119 TYR QE 4.370 . 4.370 2.742 2.472 2.943 . 0 0 "[ . 1]" 1
1322 1 105 TYR HA 1 105 TYR QD 3.240 . 3.240 2.123 1.811 2.484 . 0 0 "[ . 1]" 1
1323 1 105 TYR HA 1 105 TYR QE 4.490 . 4.490 4.296 4.108 4.485 . 0 0 "[ . 1]" 1
1324 1 105 TYR HA 1 107 THR H 5.110 . 5.110 5.015 4.835 5.181 0.071 1 0 "[ . 1]" 1
1325 1 105 TYR HA 1 108 ILE H 4.420 . 4.420 4.174 4.089 4.263 . 0 0 "[ . 1]" 1
1326 1 105 TYR HA 1 108 ILE HB 4.180 . 4.180 3.150 2.827 3.440 . 0 0 "[ . 1]" 1
1327 1 105 TYR HA 1 108 ILE QG 5.340 . 5.340 4.397 3.778 5.340 . 0 0 "[ . 1]" 1
1328 1 105 TYR HA 1 108 ILE MG 4.400 . 4.400 3.902 3.352 4.362 . 0 0 "[ . 1]" 1
1329 1 105 TYR HA 1 109 ASN H 4.210 . 4.210 3.798 3.652 3.960 . 0 0 "[ . 1]" 1
1330 1 105 TYR HA 1 116 GLY QA 5.340 . 5.340 4.489 4.286 4.782 . 0 0 "[ . 1]" 1
1331 1 105 TYR HA 1 119 TYR HB3 5.010 . 5.010 3.697 3.407 3.956 . 0 0 "[ . 1]" 1
1332 1 105 TYR HA 1 119 TYR QD 4.600 . 4.600 2.138 1.913 2.309 . 0 0 "[ . 1]" 1
1333 1 105 TYR HA 1 119 TYR QE 4.090 . 4.090 2.974 2.680 3.297 . 0 0 "[ . 1]" 1
1334 1 105 TYR QB 1 106 GLU H 3.810 . 3.810 2.648 2.191 3.097 . 0 0 "[ . 1]" 1
1335 1 105 TYR QB 1 106 GLU HA 5.010 . 5.010 4.104 3.932 4.277 . 0 0 "[ . 1]" 1
1336 1 105 TYR QB 1 119 TYR QD 4.280 . 4.280 3.149 2.802 3.426 . 0 0 "[ . 1]" 1
1337 1 105 TYR QB 1 119 TYR QE 4.020 . 4.020 2.160 1.913 2.560 . 0 0 "[ . 1]" 1
1338 1 105 TYR QD 1 106 GLU H 4.970 . 4.970 4.008 3.273 4.519 . 0 0 "[ . 1]" 1
1339 1 105 TYR QD 1 108 ILE HB 5.440 . 5.440 4.390 3.582 5.108 . 0 0 "[ . 1]" 1
1340 1 105 TYR QD 1 108 ILE MG 4.700 . 4.700 4.201 3.838 4.602 . 0 0 "[ . 1]" 1
1341 1 105 TYR QD 1 109 ASN H 5.110 . 5.110 4.552 3.596 4.775 . 0 0 "[ . 1]" 1
1342 1 105 TYR QD 1 116 GLY QA 4.320 . 4.320 3.871 3.469 4.166 . 0 0 "[ . 1]" 1
1343 1 105 TYR QD 1 119 TYR HB3 3.640 . 3.640 3.632 3.475 3.772 0.132 8 0 "[ . 1]" 1
1344 1 105 TYR QD 1 119 TYR QD 3.880 . 3.880 2.188 1.849 2.591 . 0 0 "[ . 1]" 1
1345 1 105 TYR QD 1 119 TYR QE 4.570 . 4.570 3.510 3.065 4.021 . 0 0 "[ . 1]" 1
1346 1 105 TYR QD 1 120 GLN H 4.290 . 4.290 4.201 3.931 4.400 0.110 6 0 "[ . 1]" 1
1347 1 105 TYR QE 1 116 GLY HA2 4.040 . 4.040 3.911 3.477 4.146 0.106 9 0 "[ . 1]" 1
1348 1 105 TYR QE 1 116 GLY HA3 4.040 . 4.040 3.654 3.153 4.090 0.050 9 0 "[ . 1]" 1
1349 1 106 GLU H 1 106 GLU HB2 3.670 . 3.670 2.482 2.306 3.500 . 0 0 "[ . 1]" 1
1350 1 106 GLU H 1 106 GLU QB 3.120 . 3.120 2.345 2.212 2.883 . 0 0 "[ . 1]" 1
1351 1 106 GLU H 1 106 GLU HB3 3.670 . 3.670 3.165 2.573 3.598 . 0 0 "[ . 1]" 1
1352 1 106 GLU H 1 106 GLU HG2 4.960 . 4.960 3.655 2.049 4.617 . 0 0 "[ . 1]" 1
1353 1 106 GLU H 1 106 GLU QG 4.240 . 4.240 2.896 1.763 4.041 . 0 0 "[ . 1]" 1
1354 1 106 GLU H 1 106 GLU HG3 4.960 . 4.960 3.227 1.923 4.562 . 0 0 "[ . 1]" 1
1355 1 106 GLU H 1 107 THR H 3.890 . 3.890 2.706 2.582 2.908 . 0 0 "[ . 1]" 1
1356 1 106 GLU H 1 107 THR HB 5.100 . 5.100 4.819 4.622 5.022 . 0 0 "[ . 1]" 1
1357 1 106 GLU H 1 108 ILE H 4.730 . 4.730 4.184 3.779 4.574 . 0 0 "[ . 1]" 1
1358 1 106 GLU H 1 108 ILE HB 5.100 . 5.100 5.037 4.677 5.369 0.269 2 0 "[ . 1]" 1
1359 1 106 GLU H 1 109 ASN H 4.640 . 4.640 4.549 4.379 4.684 0.044 2 0 "[ . 1]" 1
1360 1 106 GLU H 1 119 TYR QD 5.360 . 5.360 5.468 5.150 5.587 0.227 8 0 "[ . 1]" 1
1361 1 106 GLU H 1 119 TYR QE 5.270 . 5.270 5.090 4.851 5.263 . 0 0 "[ . 1]" 1
1362 1 106 GLU HA 1 109 ASN H 4.600 . 4.600 3.740 3.597 3.866 . 0 0 "[ . 1]" 1
1363 1 106 GLU HA 1 109 ASN HB3 4.010 . 4.010 2.750 2.450 3.000 . 0 0 "[ . 1]" 1
1364 1 106 GLU HA 1 110 ARG H 4.780 . 4.780 3.907 3.698 4.086 . 0 0 "[ . 1]" 1
1365 1 106 GLU HB2 1 107 THR H 3.780 . 3.780 2.870 2.132 3.685 . 0 0 "[ . 1]" 1
1366 1 106 GLU HB3 1 107 THR H 3.780 . 3.780 2.908 2.167 3.861 0.081 9 0 "[ . 1]" 1
1367 1 106 GLU QG 1 107 THR H 4.770 . 4.770 3.699 1.695 4.105 . 0 0 "[ . 1]" 1
1368 1 106 GLU HG2 1 107 THR H 5.500 . 5.500 4.401 3.345 4.935 . 0 0 "[ . 1]" 1
1369 1 106 GLU HG3 1 107 THR H 5.500 . 5.500 4.149 1.699 4.790 . 0 0 "[ . 1]" 1
1370 1 107 THR H 1 107 THR HB 3.540 . 3.540 2.541 2.505 2.578 . 0 0 "[ . 1]" 1
1371 1 107 THR H 1 107 THR MG 3.850 . 3.850 3.746 3.736 3.763 . 0 0 "[ . 1]" 1
1372 1 107 THR H 1 108 ILE H 3.680 . 3.680 2.828 2.739 2.931 . 0 0 "[ . 1]" 1
1373 1 107 THR H 1 108 ILE HB 4.770 . 4.770 4.779 4.643 4.893 0.123 10 0 "[ . 1]" 1
1374 1 107 THR H 1 108 ILE MD 5.480 . 5.480 5.170 4.510 5.629 0.149 10 0 "[ . 1]" 1
1375 1 107 THR H 1 109 ASN H 4.470 . 4.470 4.230 4.130 4.289 . 0 0 "[ . 1]" 1
1376 1 107 THR H 1 110 ARG H 5.050 . 5.050 4.694 4.603 4.787 . 0 0 "[ . 1]" 1
1377 1 107 THR HA 1 107 THR MG 3.120 . 3.120 2.350 2.286 2.396 . 0 0 "[ . 1]" 1
1378 1 107 THR HA 1 110 ARG QB 3.630 . 3.630 2.805 2.616 2.920 . 0 0 "[ . 1]" 1
1379 1 107 THR HA 1 110 ARG QD 5.260 . 5.260 4.016 2.711 4.768 . 0 0 "[ . 1]" 1
1380 1 107 THR HB 1 108 ILE H 3.730 . 3.730 2.373 2.208 2.499 . 0 0 "[ . 1]" 1
1381 1 107 THR HB 1 108 ILE HB 5.250 . 5.250 4.521 4.095 4.841 . 0 0 "[ . 1]" 1
1382 1 107 THR HB 1 108 ILE QG 4.960 . 4.960 3.829 3.121 4.910 . 0 0 "[ . 1]" 1
1383 1 107 THR MG 1 108 ILE HA 3.910 . 3.910 3.383 3.196 3.587 . 0 0 "[ . 1]" 1
1384 1 107 THR MG 1 108 ILE MD 4.000 . 4.000 3.294 2.460 4.090 0.090 3 0 "[ . 1]" 1
1385 1 107 THR MG 1 109 ASN H 5.420 . 5.420 5.044 4.930 5.118 . 0 0 "[ . 1]" 1
1386 1 107 THR MG 1 110 ARG H 4.670 . 4.670 4.799 4.729 4.870 0.200 2 0 "[ . 1]" 1
1387 1 107 THR MG 1 110 ARG QB 4.310 . 4.310 3.849 3.586 4.003 . 0 0 "[ . 1]" 1
1388 1 107 THR MG 1 111 ALA H 4.800 . 4.800 4.383 4.148 4.500 . 0 0 "[ . 1]" 1
1389 1 108 ILE H 1 108 ILE HB 3.160 . 3.160 2.315 2.094 2.487 . 0 0 "[ . 1]" 1
1390 1 108 ILE H 1 109 ASN H 3.740 . 3.740 2.781 2.717 2.835 . 0 0 "[ . 1]" 1
1391 1 108 ILE H 1 110 ARG H 4.480 . 4.480 4.298 4.103 4.408 . 0 0 "[ . 1]" 1
1392 1 108 ILE H 1 119 TYR QD 5.500 . 5.500 5.278 5.199 5.404 . 0 0 "[ . 1]" 1
1393 1 108 ILE HA 1 108 ILE MD 3.520 . 3.520 2.277 1.887 3.449 . 0 0 "[ . 1]" 1
1394 1 108 ILE HA 1 108 ILE QG 3.720 . 3.720 2.530 1.955 2.901 . 0 0 "[ . 1]" 1
1395 1 108 ILE HA 1 108 ILE MG 3.250 . 3.250 2.550 2.317 2.795 . 0 0 "[ . 1]" 1
1396 1 108 ILE HA 1 111 ALA H 4.050 . 4.050 3.382 3.232 3.430 . 0 0 "[ . 1]" 1
1397 1 108 ILE HA 1 111 ALA HA 5.500 . 5.500 5.059 4.843 5.192 . 0 0 "[ . 1]" 1
1398 1 108 ILE HA 1 111 ALA MB 3.850 . 3.850 2.285 2.124 2.436 . 0 0 "[ . 1]" 1
1399 1 108 ILE HB 1 109 ASN H 3.530 . 3.530 2.610 2.399 2.930 . 0 0 "[ . 1]" 1
1400 1 108 ILE HB 1 119 TYR QD 5.270 . 5.270 3.718 3.431 3.912 . 0 0 "[ . 1]" 1
1401 1 108 ILE MD 1 119 TYR HB2 3.590 . 3.590 2.933 1.996 3.436 . 0 0 "[ . 1]" 1
1402 1 108 ILE MD 1 119 TYR QD 4.030 . 4.030 3.766 2.955 4.131 0.101 5 0 "[ . 1]" 1
1403 1 108 ILE MD 1 119 TYR QE 5.210 . 5.210 4.884 4.045 5.313 0.103 5 0 "[ . 1]" 1
1404 1 108 ILE QG 1 108 ILE MG 2.820 . 2.820 2.221 2.021 2.366 . 0 0 "[ . 1]" 1
1405 1 108 ILE QG 1 119 TYR HB2 5.340 . 5.340 2.173 1.960 2.822 . 0 0 "[ . 1]" 1
1406 1 108 ILE QG 1 119 TYR QD 5.320 . 5.320 3.460 3.018 4.511 . 0 0 "[ . 1]" 1
1407 1 108 ILE MG 1 109 ASN H 3.840 . 3.840 2.913 2.348 3.319 . 0 0 "[ . 1]" 1
1408 1 108 ILE MG 1 110 ARG H 5.020 . 5.020 4.830 4.396 5.088 0.068 1 0 "[ . 1]" 1
1409 1 108 ILE MG 1 111 ALA H 4.610 . 4.610 4.245 4.156 4.325 . 0 0 "[ . 1]" 1
1410 1 108 ILE MG 1 111 ALA MB 3.940 . 3.940 3.353 3.156 3.588 . 0 0 "[ . 1]" 1
1411 1 108 ILE MG 1 112 SER H 4.950 . 4.950 4.084 3.881 4.188 . 0 0 "[ . 1]" 1
1412 1 108 ILE MG 1 115 CYS H 5.070 . 5.070 4.492 4.328 4.754 . 0 0 "[ . 1]" 1
1413 1 108 ILE MG 1 115 CYS HA 4.330 . 4.330 3.882 3.726 4.035 . 0 0 "[ . 1]" 1
1414 1 108 ILE MG 1 115 CYS HB2 4.610 . 4.610 3.972 3.820 4.126 . 0 0 "[ . 1]" 1
1415 1 108 ILE MG 1 115 CYS HB3 3.770 . 3.770 2.873 2.583 3.187 . 0 0 "[ . 1]" 1
1416 1 108 ILE MG 1 116 GLY H 4.170 . 4.170 3.564 3.408 3.820 . 0 0 "[ . 1]" 1
1417 1 108 ILE MG 1 116 GLY HA2 4.790 . 4.790 2.043 1.910 2.216 . 0 0 "[ . 1]" 1
1418 1 108 ILE MG 1 116 GLY QA 4.110 . 4.110 2.030 1.900 2.201 . 0 0 "[ . 1]" 1
1419 1 108 ILE MG 1 116 GLY HA3 4.790 . 4.790 3.541 3.353 3.789 . 0 0 "[ . 1]" 1
1420 1 108 ILE MG 1 118 LEU QB 4.210 . 4.210 3.589 3.475 3.822 . 0 0 "[ . 1]" 1
1421 1 108 ILE MG 1 119 TYR H 3.940 . 3.940 2.702 2.555 2.864 . 0 0 "[ . 1]" 1
1422 1 108 ILE MG 1 119 TYR HA 4.100 . 4.100 3.764 3.607 3.948 . 0 0 "[ . 1]" 1
1423 1 108 ILE MG 1 119 TYR HB2 4.310 . 4.310 2.016 1.920 2.142 . 0 0 "[ . 1]" 1
1424 1 108 ILE MG 1 119 TYR QD 4.070 . 4.070 3.542 3.363 3.790 . 0 0 "[ . 1]" 1
1425 1 109 ASN H 1 109 ASN HB2 3.400 . 3.400 2.526 2.460 2.598 . 0 0 "[ . 1]" 1
1426 1 109 ASN H 1 109 ASN HB3 3.480 . 3.480 2.533 2.449 2.592 . 0 0 "[ . 1]" 1
1427 1 109 ASN H 1 110 ARG H 3.570 . 3.570 2.811 2.723 2.857 . 0 0 "[ . 1]" 1
1428 1 109 ASN H 1 110 ARG HA 5.390 . 5.390 5.393 5.339 5.422 0.032 8 0 "[ . 1]" 1
1429 1 109 ASN H 1 111 ALA H 4.490 . 4.490 3.855 3.804 3.932 . 0 0 "[ . 1]" 1
1430 1 109 ASN H 1 119 TYR QD 5.450 . 5.450 5.149 4.992 5.291 . 0 0 "[ . 1]" 1
1431 1 109 ASN HB2 1 116 GLY H 5.300 . 5.300 5.117 4.793 5.442 0.142 9 0 "[ . 1]" 1
1432 1 109 ASN HB2 1 116 GLY HA2 4.960 . 4.960 3.390 2.998 3.783 . 0 0 "[ . 1]" 1
1433 1 109 ASN HB2 1 116 GLY QA 4.110 . 4.110 3.065 2.696 3.410 . 0 0 "[ . 1]" 1
1434 1 109 ASN HB2 1 116 GLY HA3 4.960 . 4.960 3.514 2.993 3.925 . 0 0 "[ . 1]" 1
1435 1 109 ASN HB3 1 110 ARG H 3.830 . 3.830 2.422 2.378 2.600 . 0 0 "[ . 1]" 1
1436 1 109 ASN HB3 1 111 ALA H 5.500 . 5.500 4.610 4.571 4.684 . 0 0 "[ . 1]" 1
1437 1 110 ARG H 1 110 ARG QB 2.910 . 2.910 2.190 2.038 2.247 . 0 0 "[ . 1]" 1
1438 1 110 ARG H 1 110 ARG QD 4.670 . 4.670 4.510 4.116 4.711 0.041 4 0 "[ . 1]" 1
1439 1 110 ARG H 1 111 ALA MB 4.470 . 4.470 4.193 4.032 4.283 . 0 0 "[ . 1]" 1
1440 1 110 ARG HA 1 110 ARG QD 4.050 . 4.050 3.927 3.547 4.195 0.145 10 0 "[ . 1]" 1
1441 1 110 ARG HA 1 110 ARG QG 3.370 . 3.370 2.337 2.005 2.992 . 0 0 "[ . 1]" 1
1442 1 110 ARG HA 1 111 ALA HA 4.970 . 4.970 4.778 4.765 4.809 . 0 0 "[ . 1]" 1
1443 1 110 ARG QB 1 110 ARG QD 3.020 . 3.020 2.159 1.990 2.311 . 0 0 "[ . 1]" 1
1444 1 110 ARG QB 1 111 ALA H 3.680 . 3.680 3.024 2.863 3.326 . 0 0 "[ . 1]" 1
1445 1 110 ARG QB 1 111 ALA HA 5.340 . 5.340 4.152 3.895 4.715 . 0 0 "[ . 1]" 1
1446 1 110 ARG HB2 1 110 ARG QD 3.750 . 3.750 2.696 2.330 3.403 . 0 0 "[ . 1]" 1
1447 1 110 ARG HB3 1 110 ARG QD 3.750 . 3.750 2.386 2.018 2.783 . 0 0 "[ . 1]" 1
1448 1 110 ARG QD 1 111 ALA H 5.060 . 5.060 4.913 4.284 5.350 0.290 5 0 "[ . 1]" 1
1449 1 110 ARG QD 1 111 ALA HA 5.500 . 5.500 5.034 3.682 5.694 0.194 6 0 "[ . 1]" 1
1450 1 111 ALA H 1 111 ALA MB 2.930 . 2.930 2.094 2.027 2.161 . 0 0 "[ . 1]" 1
1451 1 111 ALA H 1 112 SER H 3.280 . 3.280 2.569 2.529 2.636 . 0 0 "[ . 1]" 1
1452 1 111 ALA H 1 112 SER HA 5.230 . 5.230 5.036 5.005 5.061 . 0 0 "[ . 1]" 1
1453 1 111 ALA HA 1 115 CYS HB3 5.500 . 5.500 5.608 5.449 5.732 0.232 6 0 "[ . 1]" 1
1454 1 111 ALA MB 1 112 SER H 3.180 . 3.180 2.531 2.429 2.612 . 0 0 "[ . 1]" 1
1455 1 111 ALA MB 1 112 SER HA 4.260 . 4.260 4.276 4.239 4.313 0.053 1 0 "[ . 1]" 1
1456 1 112 SER H 1 112 SER HB2 4.080 . 4.080 3.488 2.936 3.855 . 0 0 "[ . 1]" 1
1457 1 112 SER H 1 112 SER QB 3.490 . 3.490 2.868 2.796 2.944 . 0 0 "[ . 1]" 1
1458 1 112 SER H 1 112 SER HB3 4.080 . 4.080 3.133 2.871 3.699 . 0 0 "[ . 1]" 1
1459 1 112 SER H 1 113 LYS H 4.780 . 4.780 4.186 4.097 4.340 . 0 0 "[ . 1]" 1
1460 1 112 SER H 1 114 ALA H 5.240 . 5.240 5.028 4.908 5.196 . 0 0 "[ . 1]" 1
1461 1 112 SER H 1 115 CYS H 4.530 . 4.530 3.996 3.899 4.144 . 0 0 "[ . 1]" 1
1462 1 112 SER H 1 115 CYS HB2 4.810 . 4.810 4.149 3.810 4.485 . 0 0 "[ . 1]" 1
1463 1 112 SER H 1 115 CYS HB3 4.450 . 4.450 2.831 2.647 2.999 . 0 0 "[ . 1]" 1
1464 1 112 SER QB 1 113 LYS H 4.340 . 4.340 3.495 3.286 3.686 . 0 0 "[ . 1]" 1
1465 1 112 SER QB 1 115 CYS H 4.550 . 4.550 2.579 2.066 3.275 . 0 0 "[ . 1]" 1
1466 1 112 SER QB 1 115 CYS HB2 4.410 . 4.410 2.074 1.972 2.282 . 0 0 "[ . 1]" 1
1467 1 112 SER HB2 1 113 LYS H 5.030 . 5.030 4.010 3.428 4.437 . 0 0 "[ . 1]" 1
1468 1 112 SER HB3 1 113 LYS H 5.030 . 5.030 3.956 3.463 4.372 . 0 0 "[ . 1]" 1
1469 1 113 LYS H 1 114 ALA H 5.050 . 5.050 2.623 2.440 2.709 . 0 0 "[ . 1]" 1
1470 1 113 LYS H 1 114 ALA HA 5.500 . 5.500 5.257 5.114 5.323 . 0 0 "[ . 1]" 1
1471 1 113 LYS H 1 114 ALA MB 4.810 . 4.810 4.265 4.132 4.358 . 0 0 "[ . 1]" 1
1472 1 113 LYS H 1 115 CYS HB3 5.500 . 5.500 5.224 5.052 5.401 . 0 0 "[ . 1]" 1
1473 1 114 ALA H 1 114 ALA MB 3.230 . 3.230 2.149 2.095 2.206 . 0 0 "[ . 1]" 1
1474 1 114 ALA H 1 115 CYS H 3.810 . 3.810 2.299 2.264 2.358 . 0 0 "[ . 1]" 1
1475 1 114 ALA H 1 115 CYS HB3 4.710 . 4.710 4.514 4.425 4.619 . 0 0 "[ . 1]" 1
1476 1 114 ALA H 1 116 GLY H 4.360 . 4.360 3.973 3.823 4.147 . 0 0 "[ . 1]" 1
1477 1 114 ALA H 1 117 PRO HD2 5.300 . 5.300 4.718 4.591 4.956 . 0 0 "[ . 1]" 1
1478 1 114 ALA HA 1 115 CYS HB3 5.500 . 5.500 5.762 5.642 5.845 0.345 4 0 "[ . 1]" 1
1479 1 114 ALA HA 1 116 GLY H 4.080 . 4.080 3.933 3.819 3.991 . 0 0 "[ . 1]" 1
1480 1 114 ALA HA 1 117 PRO HD2 4.080 . 4.080 3.154 2.908 3.393 . 0 0 "[ . 1]" 1
1481 1 114 ALA HA 1 118 LEU QD 4.990 . 4.990 3.993 3.663 4.331 . 0 0 "[ . 1]" 1
1482 1 114 ALA MB 1 115 CYS H 3.510 . 3.510 3.169 3.007 3.362 . 0 0 "[ . 1]" 1
1483 1 114 ALA MB 1 115 CYS HA 5.010 . 5.010 3.950 3.855 4.050 . 0 0 "[ . 1]" 1
1484 1 114 ALA MB 1 115 CYS HB2 4.880 . 4.880 4.268 4.164 4.432 . 0 0 "[ . 1]" 1
1485 1 114 ALA MB 1 116 GLY H 4.960 . 4.960 4.586 4.495 4.671 . 0 0 "[ . 1]" 1
1486 1 115 CYS H 1 115 CYS HB2 3.880 . 3.880 2.719 2.601 2.860 . 0 0 "[ . 1]" 1
1487 1 115 CYS H 1 115 CYS HB3 3.760 . 3.760 2.499 2.434 2.590 . 0 0 "[ . 1]" 1
1488 1 115 CYS H 1 116 GLY H 3.720 . 3.720 2.256 2.146 2.364 . 0 0 "[ . 1]" 1
1489 1 115 CYS H 1 116 GLY QA 4.290 . 4.290 4.145 4.052 4.250 . 0 0 "[ . 1]" 1
1490 1 115 CYS H 1 117 PRO HD2 3.980 . 3.980 3.564 3.462 3.628 . 0 0 "[ . 1]" 1
1491 1 115 CYS H 1 118 LEU H 4.900 . 4.900 5.006 4.959 5.072 0.172 6 0 "[ . 1]" 1
1492 1 115 CYS H 1 118 LEU QD 4.470 . 4.470 4.512 4.313 4.611 0.141 1 0 "[ . 1]" 1
1493 1 115 CYS HA 1 117 PRO QG 4.760 . 4.760 4.628 4.249 5.234 0.474 9 0 "[ . 1]" 1
1494 1 115 CYS HA 1 118 LEU H 3.980 . 3.980 3.389 3.204 3.581 . 0 0 "[ . 1]" 1
1495 1 115 CYS HA 1 118 LEU QD 4.740 . 4.740 2.943 2.730 3.035 . 0 0 "[ . 1]" 1
1496 1 115 CYS HA 1 118 LEU HG 3.540 . 3.540 3.004 2.769 3.318 . 0 0 "[ . 1]" 1
1497 1 115 CYS HB2 1 116 GLY H 4.540 . 4.540 4.145 4.062 4.225 . 0 0 "[ . 1]" 1
1498 1 115 CYS HB2 1 118 LEU HG 5.010 . 5.010 4.999 4.805 5.142 0.132 6 0 "[ . 1]" 1
1499 1 115 CYS HB3 1 116 GLY H 4.240 . 4.240 3.115 3.058 3.219 . 0 0 "[ . 1]" 1
1500 1 116 GLY H 1 117 PRO QG 4.350 . 4.350 3.980 3.876 4.192 . 0 0 "[ . 1]" 1
1501 1 116 GLY H 1 118 LEU H 4.820 . 4.820 3.864 3.784 3.938 . 0 0 "[ . 1]" 1
1502 1 116 GLY QA 1 117 PRO QG 4.590 . 4.590 4.022 3.886 4.090 . 0 0 "[ . 1]" 1
1503 1 116 GLY QA 1 118 LEU H 4.070 . 4.070 3.651 3.559 3.734 . 0 0 "[ . 1]" 1
1504 1 117 PRO HA 1 120 GLN H 4.200 . 4.200 3.543 3.474 3.619 . 0 0 "[ . 1]" 1
1505 1 117 PRO HB2 1 118 LEU H 4.220 . 4.220 3.430 2.996 3.649 . 0 0 "[ . 1]" 1
1506 1 117 PRO HB2 1 120 GLN H 5.500 . 5.500 5.524 5.362 5.628 0.128 9 0 "[ . 1]" 1
1507 1 117 PRO HD2 1 118 LEU H 3.950 . 3.950 2.984 2.644 3.138 . 0 0 "[ . 1]" 1
1508 1 118 LEU H 1 118 LEU QD 4.290 . 4.290 2.153 1.986 2.441 . 0 0 "[ . 1]" 1
1509 1 118 LEU H 1 118 LEU HG 5.010 . 5.010 3.905 3.835 4.081 . 0 0 "[ . 1]" 1
1510 1 118 LEU H 1 119 TYR H 3.670 . 3.670 2.626 2.553 2.728 . 0 0 "[ . 1]" 1
1511 1 118 LEU H 1 120 GLN H 4.680 . 4.680 4.000 3.924 4.085 . 0 0 "[ . 1]" 1
1512 1 118 LEU HA 1 118 LEU MD1 4.370 . 4.370 2.024 1.993 2.093 . 0 0 "[ . 1]" 1
1513 1 118 LEU HA 1 118 LEU QD 3.170 . 3.170 1.820 1.790 1.879 . 0 0 "[ . 1]" 1
1514 1 118 LEU HA 1 118 LEU MD2 4.370 . 4.370 2.065 2.026 2.127 . 0 0 "[ . 1]" 1
1515 1 118 LEU HA 1 121 TRP HB3 4.410 . 4.410 2.694 2.578 2.777 . 0 0 "[ . 1]" 1
1516 1 118 LEU QB 1 119 TYR H 3.930 . 3.930 2.496 2.400 2.568 . 0 0 "[ . 1]" 1
1517 1 118 LEU QD 1 121 TRP HB2 5.140 . 5.140 3.564 3.345 3.859 . 0 0 "[ . 1]" 1
1518 1 118 LEU QD 1 121 TRP HB3 3.990 . 3.990 3.061 2.866 3.255 . 0 0 "[ . 1]" 1
1519 1 119 TYR H 1 119 TYR HB2 3.790 . 3.790 2.826 2.763 2.914 . 0 0 "[ . 1]" 1
1520 1 119 TYR H 1 119 TYR HB3 3.730 . 3.730 2.320 2.245 2.380 . 0 0 "[ . 1]" 1
1521 1 119 TYR H 1 120 GLN H 3.640 . 3.640 2.762 2.709 2.804 . 0 0 "[ . 1]" 1
1522 1 119 TYR H 1 121 TRP HB3 5.460 . 5.460 5.135 5.059 5.199 . 0 0 "[ . 1]" 1
1523 1 119 TYR HA 1 119 TYR QD 3.990 . 3.990 2.481 2.212 2.785 . 0 0 "[ . 1]" 1
1524 1 119 TYR HA 1 122 VAL H 4.220 . 4.220 3.657 3.439 3.858 . 0 0 "[ . 1]" 1
1525 1 119 TYR HA 1 122 VAL QG 4.520 . 4.520 2.240 1.964 2.747 . 0 0 "[ . 1]" 1
1526 1 119 TYR HB2 1 120 GLN H 4.440 . 4.440 4.021 3.972 4.074 . 0 0 "[ . 1]" 1
1527 1 119 TYR HB3 1 120 GLN H 3.820 . 3.820 2.679 2.598 2.786 . 0 0 "[ . 1]" 1
1528 1 119 TYR HB3 1 122 VAL QG 4.390 . 4.390 4.563 4.215 5.066 0.676 8 2 "[ -. + 1]" 1
1529 1 119 TYR QD 1 120 GLN H 3.980 . 3.980 3.344 2.782 3.690 . 0 0 "[ . 1]" 1
1530 1 119 TYR QD 1 122 VAL HB 5.240 . 5.240 4.612 3.472 5.397 0.157 6 0 "[ . 1]" 1
1531 1 119 TYR QD 1 123 ASN QB 5.100 . 5.100 3.906 3.363 4.199 . 0 0 "[ . 1]" 1
1532 1 119 TYR QE 1 123 ASN HA 5.270 . 5.270 5.183 4.826 5.421 0.151 10 0 "[ . 1]" 1
1533 1 119 TYR QE 1 123 ASN HB2 4.640 . 4.640 3.452 2.979 3.721 . 0 0 "[ . 1]" 1
1534 1 119 TYR QE 1 123 ASN QB 3.940 . 3.940 3.358 2.927 3.587 . 0 0 "[ . 1]" 1
1535 1 119 TYR QE 1 123 ASN HB3 4.640 . 4.640 4.616 4.290 4.818 0.178 8 0 "[ . 1]" 1
1536 1 119 TYR QE 1 126 ILE MD 5.430 . 5.430 5.119 4.879 5.320 . 0 0 "[ . 1]" 1
1537 1 121 TRP H 1 121 TRP HB2 3.540 . 3.540 2.528 2.491 2.585 . 0 0 "[ . 1]" 1
1538 1 121 TRP H 1 121 TRP HB3 3.540 . 3.540 2.486 2.435 2.527 . 0 0 "[ . 1]" 1
1539 1 121 TRP H 1 121 TRP HE3 4.490 . 4.490 4.660 4.559 4.771 0.281 3 0 "[ . 1]" 1
1540 1 121 TRP H 1 124 ALA H 4.550 . 4.550 4.592 4.552 4.634 0.084 5 0 "[ . 1]" 1
1541 1 121 TRP HA 1 121 TRP HD1 4.050 . 4.050 3.059 2.963 3.142 . 0 0 "[ . 1]" 1
1542 1 121 TRP HA 1 121 TRP HE1 5.260 . 5.260 4.957 4.908 5.017 . 0 0 "[ . 1]" 1
1543 1 121 TRP HA 1 124 ALA H 4.040 . 4.040 3.294 3.185 3.370 . 0 0 "[ . 1]" 1
1544 1 121 TRP HA 1 124 ALA MB 3.530 . 3.530 2.185 2.050 2.479 . 0 0 "[ . 1]" 1
1545 1 121 TRP HB3 1 121 TRP HZ3 5.040 . 5.040 5.014 4.993 5.045 0.005 9 0 "[ . 1]" 1
1546 1 121 TRP HB3 1 122 VAL H 3.910 . 3.910 2.376 2.295 2.471 . 0 0 "[ . 1]" 1
1547 1 121 TRP HB3 1 122 VAL QG 5.440 . 5.440 3.248 2.981 4.232 . 0 0 "[ . 1]" 1
1548 1 121 TRP HB3 1 124 ALA H 5.500 . 5.500 5.125 5.097 5.162 . 0 0 "[ . 1]" 1
1549 1 121 TRP HE3 1 122 VAL H 4.160 . 4.160 2.623 2.413 2.829 . 0 0 "[ . 1]" 1
1550 1 121 TRP HE3 1 122 VAL HA 4.330 . 4.330 2.558 2.368 2.714 . 0 0 "[ . 1]" 1
1551 1 121 TRP HE3 1 122 VAL MG1 4.150 . 4.150 2.984 1.803 3.945 . 0 0 "[ . 1]" 1
1552 1 121 TRP HE3 1 122 VAL QG 3.450 . 3.450 2.134 1.798 3.214 . 0 0 "[ . 1]" 1
1553 1 121 TRP HE3 1 122 VAL MG2 4.150 . 4.150 2.907 1.857 3.688 . 0 0 "[ . 1]" 1
1554 1 121 TRP HE3 1 123 ASN H 4.970 . 4.970 4.926 4.658 5.056 0.086 10 0 "[ . 1]" 1
1555 1 121 TRP HE3 1 124 ALA H 5.500 . 5.500 5.342 5.150 5.467 . 0 0 "[ . 1]" 1
1556 1 122 VAL H 1 122 VAL HB 3.770 . 3.770 2.995 2.313 3.603 . 0 0 "[ . 1]" 1
1557 1 122 VAL H 1 122 VAL MG1 3.790 . 3.790 2.816 1.937 3.748 . 0 0 "[ . 1]" 1
1558 1 122 VAL H 1 122 VAL QG 3.250 . 3.250 1.920 1.736 2.425 . 0 0 "[ . 1]" 1
1559 1 122 VAL H 1 122 VAL MG2 3.790 . 3.790 2.267 1.803 3.750 . 0 0 "[ . 1]" 1
1560 1 122 VAL H 1 123 ASN H 3.860 . 3.860 2.702 2.637 2.759 . 0 0 "[ . 1]" 1
1561 1 122 VAL H 1 123 ASN QB 5.170 . 5.170 4.489 4.454 4.537 . 0 0 "[ . 1]" 1
1562 1 122 VAL H 1 124 ALA H 4.250 . 4.250 3.823 3.751 3.853 . 0 0 "[ . 1]" 1
1563 1 122 VAL H 1 125 GLN H 5.200 . 5.200 4.923 4.845 5.026 . 0 0 "[ . 1]" 1
1564 1 122 VAL HA 1 122 VAL MG1 3.560 . 3.560 2.460 2.212 3.194 . 0 0 "[ . 1]" 1
1565 1 122 VAL HA 1 122 VAL QG 3.060 . 3.060 2.172 2.079 2.255 . 0 0 "[ . 1]" 1
1566 1 122 VAL HA 1 122 VAL MG2 3.560 . 3.560 2.704 2.274 3.194 . 0 0 "[ . 1]" 1
1567 1 122 VAL HA 1 124 ALA H 4.410 . 4.410 3.870 3.809 3.952 . 0 0 "[ . 1]" 1
1568 1 122 VAL HA 1 125 GLN H 4.510 . 4.510 3.523 3.414 3.678 . 0 0 "[ . 1]" 1
1569 1 122 VAL HA 1 125 GLN QG 5.040 . 5.040 3.368 3.249 3.485 . 0 0 "[ . 1]" 1
1570 1 122 VAL QG 1 123 ASN H 3.600 . 3.600 2.457 1.899 3.206 . 0 0 "[ . 1]" 1
1571 1 122 VAL QG 1 123 ASN HA 4.630 . 4.630 3.444 3.058 3.881 . 0 0 "[ . 1]" 1
1572 1 122 VAL QG 1 123 ASN QB 5.280 . 5.280 3.318 2.718 4.170 . 0 0 "[ . 1]" 1
1573 1 122 VAL QG 1 124 ALA H 4.160 . 4.160 4.018 3.771 4.322 0.162 7 0 "[ . 1]" 1
1574 1 122 VAL MG1 1 123 ASN H 4.380 . 4.380 3.400 1.993 3.952 . 0 0 "[ . 1]" 1
1575 1 122 VAL MG2 1 123 ASN H 4.380 . 4.380 2.981 1.903 3.971 . 0 0 "[ . 1]" 1
1576 1 123 ASN H 1 123 ASN HB2 3.690 . 3.690 2.486 2.367 2.724 . 0 0 "[ . 1]" 1
1577 1 123 ASN H 1 123 ASN QB 3.180 . 3.180 2.261 2.237 2.306 . 0 0 "[ . 1]" 1
1578 1 123 ASN H 1 123 ASN HB3 3.690 . 3.690 2.636 2.389 2.771 . 0 0 "[ . 1]" 1
1579 1 123 ASN H 1 124 ALA MB 4.810 . 4.810 4.053 3.874 4.144 . 0 0 "[ . 1]" 1
1580 1 123 ASN H 1 125 GLN H 4.580 . 4.580 4.349 4.214 4.454 . 0 0 "[ . 1]" 1
1581 1 123 ASN HA 1 125 GLN H 4.710 . 4.710 4.502 4.414 4.589 . 0 0 "[ . 1]" 1
1582 1 123 ASN HA 1 126 ILE H 4.120 . 4.120 3.563 3.503 3.740 . 0 0 "[ . 1]" 1
1583 1 123 ASN HA 1 126 ILE HB 3.890 . 3.890 2.869 2.732 3.094 . 0 0 "[ . 1]" 1
1584 1 123 ASN HA 1 126 ILE MD 3.590 . 3.590 2.137 2.042 2.429 . 0 0 "[ . 1]" 1
1585 1 123 ASN HA 1 126 ILE HG12 5.120 . 5.120 4.664 4.541 4.764 . 0 0 "[ . 1]" 1
1586 1 123 ASN HA 1 126 ILE MG 4.720 . 4.720 4.144 4.014 4.312 . 0 0 "[ . 1]" 1
1587 1 123 ASN QB 1 124 ALA H 3.470 . 3.470 3.065 3.002 3.128 . 0 0 "[ . 1]" 1
1588 1 123 ASN QB 1 125 GLN H 5.210 . 5.210 5.085 5.038 5.111 . 0 0 "[ . 1]" 1
1589 1 123 ASN QB 1 126 ILE MD 4.590 . 4.590 3.784 3.648 3.992 . 0 0 "[ . 1]" 1
1590 1 123 ASN QB 1 126 ILE HG13 5.340 . 5.340 5.378 5.283 5.453 0.113 6 0 "[ . 1]" 1
1591 1 123 ASN HB2 1 124 ALA H 4.100 . 4.100 4.079 3.979 4.230 0.130 1 0 "[ . 1]" 1
1592 1 123 ASN HB2 1 126 ILE HB 5.500 . 5.500 5.270 5.042 5.616 0.116 6 0 "[ . 1]" 1
1593 1 123 ASN HB3 1 124 ALA H 4.100 . 4.100 3.169 3.092 3.261 . 0 0 "[ . 1]" 1
1594 1 123 ASN HB3 1 126 ILE HB 5.500 . 5.500 5.405 5.236 5.567 0.067 6 0 "[ . 1]" 1
1595 1 124 ALA H 1 124 ALA MB 3.020 . 3.020 2.099 2.063 2.231 . 0 0 "[ . 1]" 1
1596 1 124 ALA H 1 125 GLN H 3.810 . 3.810 2.465 2.373 2.542 . 0 0 "[ . 1]" 1
1597 1 124 ALA H 1 127 ASN HB2 5.500 . 5.500 5.316 5.242 5.408 . 0 0 "[ . 1]" 1
1598 1 124 ALA HA 1 127 ASN H 3.990 . 3.990 3.433 3.399 3.501 . 0 0 "[ . 1]" 1
1599 1 124 ALA HA 1 127 ASN HB2 4.120 . 4.120 2.797 2.750 2.891 . 0 0 "[ . 1]" 1
1600 1 124 ALA HA 1 127 ASN HB3 4.170 . 4.170 4.367 4.333 4.434 0.264 2 0 "[ . 1]" 1
1601 1 124 ALA HA 1 128 PHE H 5.010 . 5.010 4.397 4.231 4.543 . 0 0 "[ . 1]" 1
1602 1 124 ALA MB 1 125 GLN H 3.500 . 3.500 2.612 2.509 2.676 . 0 0 "[ . 1]" 1
1603 1 124 ALA MB 1 127 ASN HB2 4.850 . 4.850 4.095 4.047 4.153 . 0 0 "[ . 1]" 1
1604 1 124 ALA MB 1 127 ASN HB3 5.290 . 5.290 5.364 5.300 5.425 0.135 7 0 "[ . 1]" 1
1605 1 124 ALA MB 1 128 PHE H 5.040 . 5.040 4.742 4.664 4.847 . 0 0 "[ . 1]" 1
1606 1 125 GLN H 1 125 GLN HB2 3.990 . 3.990 2.430 2.394 2.474 . 0 0 "[ . 1]" 1
1607 1 125 GLN H 1 125 GLN HB3 3.990 . 3.990 3.582 3.577 3.586 . 0 0 "[ . 1]" 1
1608 1 125 GLN H 1 125 GLN QG 3.830 . 3.830 2.194 2.112 2.271 . 0 0 "[ . 1]" 1
1609 1 125 GLN H 1 126 ILE H 4.150 . 4.150 2.638 2.614 2.672 . 0 0 "[ . 1]" 1
1610 1 125 GLN HA 1 125 GLN HG2 4.100 . 4.100 2.897 2.681 3.030 . 0 0 "[ . 1]" 1
1611 1 125 GLN HA 1 125 GLN QG 3.600 . 3.600 2.793 2.620 2.897 . 0 0 "[ . 1]" 1
1612 1 125 GLN HA 1 125 GLN HG3 4.100 . 4.100 3.670 3.658 3.687 . 0 0 "[ . 1]" 1
1613 1 125 GLN HA 1 128 PHE H 4.460 . 4.460 3.401 3.314 3.537 . 0 0 "[ . 1]" 1
1614 1 125 GLN HA 1 128 PHE QB 4.250 . 4.250 2.643 2.447 2.927 . 0 0 "[ . 1]" 1
1615 1 126 ILE H 1 126 ILE MD 3.720 . 3.720 3.418 3.358 3.465 . 0 0 "[ . 1]" 1
1616 1 126 ILE H 1 126 ILE HG13 3.800 . 3.800 2.089 1.993 2.252 . 0 0 "[ . 1]" 1
1617 1 126 ILE HA 1 126 ILE MD 4.010 . 4.010 3.824 3.799 3.857 . 0 0 "[ . 1]" 1
1618 1 126 ILE HA 1 126 ILE HG13 3.870 . 3.870 2.875 2.784 2.918 . 0 0 "[ . 1]" 1
1619 1 126 ILE HA 1 126 ILE MG 3.350 . 3.350 2.374 2.330 2.408 . 0 0 "[ . 1]" 1
1620 1 126 ILE HB 1 127 ASN H 3.490 . 3.490 2.586 2.551 2.633 . 0 0 "[ . 1]" 1
1621 1 126 ILE MG 1 127 ASN H 4.040 . 4.040 3.410 3.217 3.502 . 0 0 "[ . 1]" 1
1622 1 126 ILE MG 1 127 ASN HA 4.040 . 4.040 3.445 3.277 3.529 . 0 0 "[ . 1]" 1
1623 1 127 ASN H 1 127 ASN HB2 3.550 . 3.550 2.325 2.203 2.393 . 0 0 "[ . 1]" 1
1624 1 127 ASN H 1 127 ASN HB3 3.530 . 3.530 3.547 3.505 3.565 0.035 8 0 "[ . 1]" 1
1625 1 127 ASN H 1 128 PHE H 4.060 . 4.060 2.726 2.685 2.798 . 0 0 "[ . 1]" 1
1626 1 127 ASN HA 1 130 LYS QB 3.480 . 3.480 2.786 2.483 3.198 . 0 0 "[ . 1]" 1
1627 1 127 ASN HA 1 130 LYS QG 4.960 . 4.960 4.527 3.963 5.145 0.185 7 0 "[ . 1]" 1
1628 1 127 ASN HB2 1 128 PHE H 4.530 . 4.530 2.604 2.469 2.789 . 0 0 "[ . 1]" 1
1629 1 127 ASN HB2 1 130 LYS QB 5.460 . 5.460 5.169 4.922 5.524 0.064 8 0 "[ . 1]" 1
1630 1 127 ASN HB3 1 128 PHE H 4.340 . 4.340 3.392 3.296 3.436 . 0 0 "[ . 1]" 1
1631 1 127 ASN HB3 1 129 SER H 5.500 . 5.500 5.683 5.558 5.782 0.282 9 0 "[ . 1]" 1
1632 1 128 PHE H 1 128 PHE QB 3.670 . 3.670 2.116 2.043 2.271 . 0 0 "[ . 1]" 1
1633 1 128 PHE H 1 128 PHE QD 4.370 . 4.370 3.451 2.885 4.156 . 0 0 "[ . 1]" 1
1634 1 128 PHE H 1 129 SER H 4.360 . 4.360 2.801 2.699 2.896 . 0 0 "[ . 1]" 1
1635 1 128 PHE HA 1 128 PHE QD 4.060 . 4.060 2.254 1.879 2.523 . 0 0 "[ . 1]" 1
1636 1 128 PHE QB 1 129 SER H 3.940 . 3.940 2.381 2.297 2.444 . 0 0 "[ . 1]" 1
1637 1 128 PHE QB 1 132 LEU MD1 5.020 . 5.020 2.896 2.234 3.810 . 0 0 "[ . 1]" 1
1638 1 128 PHE QD 1 129 SER H 4.650 . 4.650 4.227 3.946 4.418 . 0 0 "[ . 1]" 1
1639 1 128 PHE QE 1 132 LEU MD1 4.340 . 4.340 3.388 2.559 3.934 . 0 0 "[ . 1]" 1
1640 1 128 PHE QE 1 132 LEU MD2 4.150 . 4.150 3.381 2.463 4.199 0.049 9 0 "[ . 1]" 1
1641 1 128 PHE QE 1 132 LEU HG 5.500 . 5.500 4.534 3.250 5.499 . 0 0 "[ . 1]" 1
1642 1 129 SER H 1 130 LYS H 4.380 . 4.380 2.812 2.698 2.871 . 0 0 "[ . 1]" 1
1643 1 129 SER H 1 131 CYS H 4.710 . 4.710 4.457 4.288 4.714 0.004 1 0 "[ . 1]" 1
1644 1 129 SER H 1 132 LEU HB2 5.300 . 5.300 4.741 4.466 5.074 . 0 0 "[ . 1]" 1
1645 1 129 SER H 1 132 LEU MD2 5.500 . 5.500 5.649 5.475 5.751 0.251 6 0 "[ . 1]" 1
1646 1 129 SER H 1 132 LEU HG 5.500 . 5.500 4.463 4.277 4.603 . 0 0 "[ . 1]" 1
1647 1 130 LYS H 1 131 CYS H 4.430 . 4.430 2.797 2.714 2.881 . 0 0 "[ . 1]" 1
1648 1 130 LYS H 1 132 LEU H 4.600 . 4.600 4.030 3.889 4.193 . 0 0 "[ . 1]" 1
1649 1 130 LYS HA 1 130 LYS HG2 3.940 . 3.940 3.149 2.277 3.722 . 0 0 "[ . 1]" 1
1650 1 130 LYS HA 1 130 LYS QG 3.400 . 3.400 2.434 2.140 3.232 . 0 0 "[ . 1]" 1
1651 1 130 LYS HA 1 130 LYS HG3 3.940 . 3.940 2.601 2.182 3.547 . 0 0 "[ . 1]" 1
1652 1 130 LYS QB 1 131 CYS H 4.060 . 4.060 2.594 2.278 3.404 . 0 0 "[ . 1]" 1
1653 1 130 LYS QG 1 131 CYS HA 5.200 . 5.200 3.950 3.029 4.435 . 0 0 "[ . 1]" 1
1654 1 131 CYS H 1 132 LEU HB2 4.710 . 4.710 4.571 4.302 4.722 0.012 7 0 "[ . 1]" 1
1655 1 131 CYS H 1 132 LEU HG 4.420 . 4.420 3.896 3.529 4.191 . 0 0 "[ . 1]" 1
1656 1 131 CYS HA 1 132 LEU MD2 5.500 . 5.500 5.363 4.973 5.569 0.069 6 0 "[ . 1]" 1
1657 1 131 CYS HA 1 135 VAL QG 4.560 . 4.560 4.259 3.589 4.929 0.369 5 0 "[ . 1]" 1
1658 1 132 LEU H 1 132 LEU HB2 3.860 . 3.860 2.499 2.428 2.546 . 0 0 "[ . 1]" 1
1659 1 132 LEU H 1 132 LEU HB3 4.100 . 4.100 3.590 3.581 3.606 . 0 0 "[ . 1]" 1
1660 1 132 LEU H 1 132 LEU MD2 3.910 . 3.910 3.268 3.101 3.459 . 0 0 "[ . 1]" 1
1661 1 132 LEU H 1 132 LEU HG 4.330 . 4.330 2.099 2.000 2.259 . 0 0 "[ . 1]" 1
1662 1 132 LEU HA 1 132 LEU MD2 3.280 . 3.280 2.033 2.000 2.073 . 0 0 "[ . 1]" 1
1663 1 132 LEU HA 1 134 ASN H 4.350 . 4.350 3.930 3.562 4.417 0.067 1 0 "[ . 1]" 1
1664 1 132 LEU HA 1 135 VAL HB 4.770 . 4.770 3.709 1.904 4.773 0.003 1 0 "[ . 1]" 1
1665 1 132 LEU HA 1 135 VAL MG1 3.930 . 3.930 2.503 1.851 3.539 . 0 0 "[ . 1]" 1
1666 1 132 LEU HA 1 135 VAL QG 3.400 . 3.400 2.017 1.784 2.724 . 0 0 "[ . 1]" 1
1667 1 132 LEU HA 1 135 VAL MG2 3.930 . 3.930 2.571 1.957 3.691 . 0 0 "[ . 1]" 1
1668 1 132 LEU HA 1 136 ASP H 5.450 . 5.450 5.276 2.933 5.843 0.393 7 0 "[ . 1]" 1
1669 1 132 LEU HB2 1 133 GLU H 4.020 . 4.020 3.022 2.635 3.461 . 0 0 "[ . 1]" 1
1670 1 132 LEU HB3 1 133 GLU H 4.150 . 4.150 3.956 3.687 4.295 0.145 9 0 "[ . 1]" 1
1671 1 132 LEU MD1 1 133 GLU H 5.210 . 5.210 4.809 4.501 5.103 . 0 0 "[ . 1]" 1
1672 1 132 LEU MD1 1 135 VAL MG1 5.500 . 5.500 4.598 4.157 5.966 0.466 1 0 "[ . 1]" 1
1673 1 132 LEU MD1 1 135 VAL MG2 5.500 . 5.500 4.889 3.960 5.674 0.174 5 0 "[ . 1]" 1
1674 1 132 LEU MD2 1 135 VAL HB 5.500 . 5.500 3.983 2.611 5.164 . 0 0 "[ . 1]" 1
1675 1 132 LEU MD2 1 135 VAL MG1 4.430 . 4.430 2.463 1.956 3.953 . 0 0 "[ . 1]" 1
1676 1 132 LEU MD2 1 135 VAL QG 3.710 . 3.710 2.194 1.843 2.741 . 0 0 "[ . 1]" 1
1677 1 132 LEU MD2 1 135 VAL MG2 4.430 . 4.430 2.959 1.970 4.072 . 0 0 "[ . 1]" 1
1678 1 133 GLU H 1 133 GLU QB 3.170 . 3.170 2.285 2.229 2.497 . 0 0 "[ . 1]" 1
1679 1 133 GLU H 1 135 VAL MG1 5.500 . 5.500 4.863 4.081 5.809 0.309 7 0 "[ . 1]" 1
1680 1 133 GLU H 1 135 VAL QG 4.740 . 4.740 4.081 3.638 4.898 0.158 3 0 "[ . 1]" 1
1681 1 133 GLU H 1 135 VAL MG2 5.500 . 5.500 4.582 3.701 5.718 0.218 8 0 "[ . 1]" 1
1682 1 133 GLU HA 1 134 ASN HA 5.150 . 5.150 4.584 4.515 4.811 . 0 0 "[ . 1]" 1
1683 1 133 GLU QB 1 134 ASN H 3.730 . 3.730 2.860 2.496 3.605 . 0 0 "[ . 1]" 1
1684 1 133 GLU QB 1 134 ASN HA 4.510 . 4.510 4.352 4.043 4.722 0.212 2 0 "[ . 1]" 1
1685 1 133 GLU QG 1 134 ASN H 4.400 . 4.400 3.620 2.013 4.427 0.027 6 0 "[ . 1]" 1
1686 1 134 ASN H 1 134 ASN QB 3.580 . 3.580 2.692 2.258 3.211 . 0 0 "[ . 1]" 1
1687 1 134 ASN H 1 135 VAL QG 4.400 . 4.400 3.422 2.737 4.316 . 0 0 "[ . 1]" 1
1688 1 134 ASN HA 1 135 VAL H 3.570 . 3.570 2.986 2.208 3.550 . 0 0 "[ . 1]" 1
1689 1 134 ASN HA 1 135 VAL HA 5.100 . 5.100 4.735 4.381 5.331 0.231 9 0 "[ . 1]" 1
1690 1 134 ASN QB 1 135 VAL H 3.930 . 3.930 3.416 2.487 4.031 0.101 4 0 "[ . 1]" 1
1691 1 134 ASN QB 1 135 VAL HA 4.930 . 4.930 4.372 3.956 4.788 . 0 0 "[ . 1]" 1
1692 1 134 ASN QB 1 135 VAL QG 4.180 . 4.180 3.955 2.763 4.493 0.313 2 0 "[ . 1]" 1
1693 1 134 ASN HB2 1 135 VAL H 4.550 . 4.550 4.007 2.654 4.599 0.049 4 0 "[ . 1]" 1
1694 1 134 ASN HB3 1 135 VAL H 4.550 . 4.550 3.894 2.519 4.603 0.053 6 0 "[ . 1]" 1
1695 1 135 VAL H 1 135 VAL HB 3.760 . 3.760 3.212 2.111 3.846 0.086 9 0 "[ . 1]" 1
1696 1 135 VAL H 1 135 VAL MG1 3.520 . 3.520 3.033 2.081 3.642 0.122 7 0 "[ . 1]" 1
1697 1 135 VAL H 1 135 VAL QG 3.010 . 3.010 2.178 1.765 2.787 . 0 0 "[ . 1]" 1
1698 1 135 VAL H 1 135 VAL MG2 3.520 . 3.520 2.304 1.783 3.503 . 0 0 "[ . 1]" 1
1699 1 135 VAL H 1 136 ASP H 4.510 . 4.510 3.079 1.876 4.628 0.118 5 0 "[ . 1]" 1
1700 1 135 VAL HA 1 135 VAL MG1 3.240 . 3.240 2.363 2.072 3.087 . 0 0 "[ . 1]" 1
1701 1 135 VAL HA 1 135 VAL MG2 3.240 . 3.240 2.807 2.076 3.189 . 0 0 "[ . 1]" 1
1702 1 135 VAL HB 1 136 ASP H 4.160 . 4.160 3.628 2.756 4.223 0.063 4 0 "[ . 1]" 1
1703 1 135 VAL QG 1 136 ASP H 3.460 . 3.460 2.535 1.989 3.670 0.210 9 0 "[ . 1]" 1
1704 1 135 VAL QG 1 136 ASP HA 4.680 . 4.680 3.710 2.995 4.532 . 0 0 "[ . 1]" 1
1705 1 135 VAL QG 1 136 ASP QB 4.570 . 4.570 3.892 3.098 5.004 0.434 9 0 "[ . 1]" 1
1706 1 136 ASP H 1 136 ASP HB2 3.610 . 3.610 2.555 2.384 2.938 . 0 0 "[ . 1]" 1
1707 1 136 ASP H 1 136 ASP QB 3.160 . 3.160 2.418 2.250 2.565 . 0 0 "[ . 1]" 1
1708 1 136 ASP H 1 136 ASP HB3 3.610 . 3.610 3.244 2.583 3.749 0.139 8 0 "[ . 1]" 1
1709 1 136 ASP H 1 137 PRO QD 5.350 . 5.350 4.138 3.788 4.382 . 0 0 "[ . 1]" 1
1710 1 136 ASP HA 1 137 PRO QD 2.900 . 2.900 1.980 1.918 2.099 . 0 0 "[ . 1]" 1
1711 1 137 PRO HA 1 138 LEU H 3.200 . 3.200 2.267 2.198 2.449 . 0 0 "[ . 1]" 1
1712 1 137 PRO QB 1 138 LEU H 4.010 . 4.010 2.999 2.649 3.243 . 0 0 "[ . 1]" 1
1713 1 138 LEU H 1 138 LEU QB 3.380 . 3.380 2.566 2.243 3.030 . 0 0 "[ . 1]" 1
1714 1 138 LEU H 1 138 LEU QD 4.270 . 4.270 3.416 2.121 4.020 . 0 0 "[ . 1]" 1
1715 1 138 LEU H 1 139 ARG H 3.900 . 3.900 3.037 1.983 4.064 0.164 1 0 "[ . 1]" 1
1716 1 138 LEU HA 1 138 LEU QD 3.460 . 3.460 2.354 2.015 2.899 . 0 0 "[ . 1]" 1
1717 1 138 LEU HA 1 139 ARG H 3.360 . 3.360 2.822 2.145 3.535 0.175 2 0 "[ . 1]" 1
1718 1 138 LEU QB 1 138 LEU QD 2.690 . 2.690 1.892 1.850 1.926 . 0 0 "[ . 1]" 1
1719 1 138 LEU QD 1 139 ARG H 4.780 . 4.780 3.792 2.561 4.564 . 0 0 "[ . 1]" 1
1720 1 139 ARG H 1 139 ARG QB 3.320 . 3.320 2.607 2.175 3.134 . 0 0 "[ . 1]" 1
1721 1 139 ARG H 1 139 ARG QG 4.920 . 4.920 3.859 2.979 4.325 . 0 0 "[ . 1]" 1
1722 1 139 ARG QB 1 139 ARG QD 3.240 . 3.240 2.265 2.072 2.583 . 0 0 "[ . 1]" 1
1723 1 140 GLN HA 1 141 GLU H 3.230 . 3.230 2.184 2.149 2.233 . 0 0 "[ . 1]" 1
1724 1 140 GLN QB 1 141 GLU H 4.020 . 4.020 3.348 2.853 3.778 . 0 0 "[ . 1]" 1
1725 1 141 GLU H 1 141 GLU QB 3.580 . 3.580 2.658 2.191 3.150 . 0 0 "[ . 1]" 1
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