Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593781 | 2mx8 RC | 25397 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mx8
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 1684
_Distance_constraint_stats_list.Viol_count 3272
_Distance_constraint_stats_list.Viol_total 8155.610
_Distance_constraint_stats_list.Viol_max 0.997
_Distance_constraint_stats_list.Viol_rms 0.0574
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0121
_Distance_constraint_stats_list.Viol_average_violations_only 0.1246
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 SER 1.736 0.275 18 0 "[ . 1 . 2]"
1 6 GLN 14.298 0.765 5 5 "[ + **1 * - 2]"
1 7 PRO 10.901 0.765 5 5 "[ + **1-* . 2]"
1 8 ILE 14.185 0.975 4 6 "[ *+. 1 * . -**2]"
1 9 TRP 9.166 0.957 17 4 "[* . * 1- . + 2]"
1 10 THR 5.023 0.518 11 1 "[ . 1+ . 2]"
1 11 ASN 15.837 0.816 7 7 "[* . +* -* . **2]"
1 12 PRO 4.198 0.514 10 1 "[ . + . 2]"
1 13 ASN 5.143 0.316 6 0 "[ . 1 . 2]"
1 14 ALA 15.722 0.816 7 6 "[- . +* 1* . **2]"
1 15 ALA 8.628 0.975 4 4 "[ -+. 1 . * *2]"
1 16 MET 15.406 0.997 11 2 "[ . 1+ . -]"
1 17 THR 12.274 0.710 12 3 "[ . 1 + .*- 2]"
1 18 MET 4.330 0.219 10 0 "[ . 1 . 2]"
1 19 THR 9.537 0.421 15 0 "[ . 1 . 2]"
1 20 ASN 7.736 0.487 20 0 "[ . 1 . 2]"
1 21 ASN 7.939 0.407 19 0 "[ . 1 . 2]"
1 22 LEU 2.535 0.126 4 0 "[ . 1 . 2]"
1 23 VAL 0.506 0.088 20 0 "[ . 1 . 2]"
1 24 GLN 3.498 0.169 7 0 "[ . 1 . 2]"
1 25 CYS 0.165 0.046 16 0 "[ . 1 . 2]"
1 26 ALA 2.222 0.154 8 0 "[ . 1 . 2]"
1 27 SER 2.204 0.248 8 0 "[ . 1 . 2]"
1 28 ARG 6.237 0.297 17 0 "[ . 1 . 2]"
1 29 SER 3.299 0.181 15 0 "[ . 1 . 2]"
1 30 GLY 1.232 0.138 14 0 "[ . 1 . 2]"
1 31 VAL 1.753 0.191 7 0 "[ . 1 . 2]"
1 32 LEU 1.139 0.147 6 0 "[ . 1 . 2]"
1 33 THR 7.674 0.633 12 2 "[ . 1 +- . 2]"
1 34 ALA 0.287 0.034 14 0 "[ . 1 . 2]"
1 35 ASP 3.500 0.633 12 2 "[ . 1 +- . 2]"
1 36 GLN 4.167 0.637 17 1 "[ . 1 . + 2]"
1 37 MET 2.793 0.310 3 0 "[ . 1 . 2]"
1 38 ASP 0.491 0.119 15 0 "[ . 1 . 2]"
1 39 ASP 3.133 0.637 17 2 "[- . 1 . + 2]"
1 40 MET 10.950 0.327 4 0 "[ . 1 . 2]"
1 41 GLY 6.886 0.565 5 1 "[ + 1 . 2]"
1 42 MET 13.734 0.586 2 4 "[*+ - 1 * . 2]"
1 43 MET 13.137 0.448 4 0 "[ . 1 . 2]"
1 44 ALA 4.443 0.448 4 0 "[ . 1 . 2]"
1 45 ASP 1.509 0.586 2 2 "[ + . 1 - . 2]"
1 46 SER 0.202 0.047 10 0 "[ . 1 . 2]"
1 47 VAL 2.036 0.343 20 0 "[ . 1 . 2]"
1 48 ASN 8.421 0.997 11 2 "[ . 1+ . -]"
1 49 SER 8.207 0.478 15 0 "[ . 1 . 2]"
1 50 GLN 9.358 0.534 1 2 "[+ - 1 . 2]"
1 51 MET 11.636 0.957 17 4 "[* . * 1- . + 2]"
1 52 GLN 2.564 0.417 7 0 "[ . 1 . 2]"
1 53 LYS 3.066 0.538 4 1 "[ +. 1 . 2]"
1 54 MET 8.267 0.694 15 3 "[* . 1 +- 2]"
1 55 GLY 2.962 0.388 16 0 "[ . 1 . 2]"
1 56 PRO 3.063 0.325 6 0 "[ . 1 . 2]"
1 57 ASN 1.146 0.162 8 0 "[ . 1 . 2]"
1 58 PRO 0.261 0.073 15 0 "[ . 1 . 2]"
1 59 PRO 8.705 0.985 14 2 "[ . 1 +. -]"
1 61 HIS 5.751 0.985 14 1 "[ . 1 +. 2]"
1 62 ARG 11.989 0.753 20 2 "[ . 1 - . +]"
1 63 LEU 7.495 0.733 5 3 "[ + 1 - * 2]"
1 64 ARG 8.139 0.626 6 2 "[ .+ - 1 . 2]"
1 65 ALA 4.869 0.626 6 2 "[ .+ - 1 . 2]"
1 66 MET 10.959 0.694 15 4 "[* . 1 +* -]"
1 67 ASN 5.336 0.975 17 2 "[ . 1 . + -]"
1 68 THR 1.272 0.188 16 0 "[ . 1 . 2]"
1 69 ALA 1.085 0.331 19 0 "[ . 1 . 2]"
1 70 MET 3.303 0.683 6 1 "[ .+ 1 . 2]"
1 71 ALA 2.212 0.137 19 0 "[ . 1 . 2]"
1 72 ALA 2.056 0.683 6 1 "[ .+ 1 . 2]"
1 73 GLU 3.142 0.372 4 0 "[ . 1 . 2]"
1 74 VAL 3.931 0.542 15 1 "[ . 1 + 2]"
1 75 ALA 4.591 0.688 2 4 "[*+ - 1 .* 2]"
1 76 GLU 1.156 0.327 8 0 "[ . 1 . 2]"
1 77 VAL 0.099 0.045 15 0 "[ . 1 . 2]"
1 78 VAL 2.659 0.366 18 0 "[ . 1 . 2]"
1 79 ALA 0.493 0.075 6 0 "[ . 1 . 2]"
1 80 THR 0.338 0.067 13 0 "[ . 1 . 2]"
1 81 SER 1.256 0.560 14 1 "[ . 1 +. 2]"
1 83 PRO 0.699 0.358 19 0 "[ . 1 . 2]"
1 84 GLN 8.686 0.635 10 5 "[ . *+- * *]"
1 85 SER 5.828 0.635 10 5 "[ . *+- * *]"
1 86 TYR 6.698 0.397 5 0 "[ . 1 . 2]"
1 87 SER 2.803 0.513 2 2 "[ + - 1 . 2]"
1 88 ALA 9.375 0.678 9 3 "[ . *+1 -. 2]"
1 89 VAL 2.032 0.560 14 1 "[ . 1 +. 2]"
1 90 LEU 4.706 0.320 19 0 "[ . 1 . 2]"
1 91 ASN 8.775 0.678 9 5 "[ * - *+1 *. 2]"
1 92 THR 1.072 0.095 15 0 "[ . 1 . 2]"
1 93 ILE 3.747 0.150 16 0 "[ . 1 . 2]"
1 94 GLY 3.705 0.286 19 0 "[ . 1 . 2]"
1 95 ALA 3.173 0.167 17 0 "[ . 1 . 2]"
1 96 CYS 0.134 0.031 6 0 "[ . 1 . 2]"
1 97 LEU 0.999 0.091 12 0 "[ . 1 . 2]"
1 98 ARG 11.934 0.640 8 1 "[ . + 1 . 2]"
1 99 GLU 11.367 0.462 3 0 "[ . 1 . 2]"
1 100 SER 4.634 0.320 1 0 "[ . 1 . 2]"
1 101 MET 4.900 0.898 1 1 "[+ . 1 . 2]"
1 102 MET 8.679 0.655 6 1 "[ .+ 1 . 2]"
1 103 GLN 15.115 0.710 12 4 "[ .* 1 + .*- 2]"
1 104 ALA 4.510 0.407 19 0 "[ . 1 . 2]"
1 105 THR 3.140 0.467 6 0 "[ . 1 . 2]"
1 106 GLY 6.684 0.705 19 4 "[ . 1 * . -*+2]"
1 107 SER 5.438 0.467 6 0 "[ . 1 . 2]"
1 108 VAL 4.629 0.162 10 0 "[ . 1 . 2]"
1 109 ASP 5.158 0.898 1 2 "[+* . 1 . 2]"
1 110 ASN 1.204 0.839 2 1 "[ + . 1 . 2]"
1 111 ALA 2.940 0.772 17 1 "[ . 1 . + 2]"
1 112 PHE 3.203 0.414 1 0 "[ . 1 . 2]"
1 113 THR 4.542 0.640 8 2 "[- . + 1 . 2]"
1 114 ASN 4.186 0.902 17 1 "[ . 1 . + 2]"
1 115 GLU 20.151 0.902 17 4 "[* .* - 1 . + 2]"
1 116 VAL 7.861 0.975 17 1 "[ . 1 . + 2]"
1 117 MET 9.496 0.697 1 4 "[+ *- 1 . * 2]"
1 118 GLN 0.643 0.184 3 0 "[ . 1 . 2]"
1 119 LEU 9.094 0.777 17 3 "[* .- 1 . + 2]"
1 120 VAL 4.706 0.542 15 1 "[ . 1 + 2]"
1 121 LYS 7.927 0.436 20 0 "[ . 1 . 2]"
1 122 MET 10.990 0.777 17 1 "[ . 1 . + 2]"
1 123 LEU 7.198 0.285 16 0 "[ . 1 . 2]"
1 124 SER 8.485 0.688 2 4 "[*+ - 1 .* 2]"
1 125 ALA 3.690 0.308 19 0 "[ . 1 . 2]"
1 126 ASP 3.765 0.308 19 0 "[ . 1 . 2]"
1 127 SER 3.723 0.348 1 0 "[ . 1 . 2]"
1 128 ALA 7.642 0.536 10 3 "[ * .- + . 2]"
1 129 ASN 9.461 0.536 10 3 "[ * .- + . 2]"
1 130 GLU 9.463 0.611 13 8 "[ * * * + *** -]"
1 131 VAL 1.956 0.209 8 0 "[ . 1 . 2]"
1 132 SER 0.876 0.173 8 0 "[ . 1 . 2]"
1 133 THR 2.559 0.297 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 SER HA 1 5 SER QB . . 2.750 2.281 2.171 2.408 . 0 0 "[ . 1 . 2]" 1
2 1 5 SER HA 1 6 GLN H . . 3.160 2.755 2.097 3.386 0.226 3 0 "[ . 1 . 2]" 1
3 1 5 SER HA 1 7 PRO HD3 . . 4.270 4.138 3.492 4.545 0.275 18 0 "[ . 1 . 2]" 1
4 1 5 SER QB 1 6 GLN H . . 4.030 3.353 2.302 3.934 . 0 0 "[ . 1 . 2]" 1
5 1 6 GLN H 1 6 GLN HA . . 2.840 2.748 2.236 2.929 0.089 10 0 "[ . 1 . 2]" 1
6 1 6 GLN H 1 6 GLN HB3 . . 3.630 3.538 2.531 4.128 0.498 2 0 "[ . 1 . 2]" 1
7 1 6 GLN H 1 6 GLN QG . . 4.140 3.534 2.674 4.408 0.268 8 0 "[ . 1 . 2]" 1
8 1 6 GLN HA 1 6 GLN QG . . 2.970 2.726 2.355 3.396 0.426 16 0 "[ . 1 . 2]" 1
9 1 6 GLN HA 1 7 PRO HD2 . . 3.180 2.413 2.008 2.700 . 0 0 "[ . 1 . 2]" 1
10 1 6 GLN HA 1 7 PRO HD3 . . 3.240 2.207 1.948 2.604 . 0 0 "[ . 1 . 2]" 1
11 1 6 GLN HB2 1 6 GLN QG . . 2.670 2.276 2.129 2.443 . 0 0 "[ . 1 . 2]" 1
12 1 6 GLN HB2 1 10 THR MG . . 5.060 3.634 2.112 4.908 . 0 0 "[ . 1 . 2]" 1
13 1 6 GLN HB3 1 7 PRO HD2 . . 4.580 4.448 3.641 5.345 0.765 5 3 "[ + -*1 . 2]" 1
14 1 6 GLN HB3 1 10 THR MG . . 4.940 3.101 1.798 5.140 0.200 20 0 "[ . 1 . 2]" 1
15 1 6 GLN HE21 1 63 LEU QD . . 4.640 3.810 2.516 5.121 0.481 7 0 "[ . 1 . 2]" 1
16 1 6 GLN HE22 1 10 THR MG . . 5.500 4.314 2.906 5.745 0.245 10 0 "[ . 1 . 2]" 1
17 1 6 GLN HE22 1 63 LEU QD . . 5.040 3.854 1.797 5.773 0.733 5 2 "[ + 1 - 2]" 1
18 1 6 GLN QG 1 7 PRO HD2 . . 4.620 4.419 3.278 5.245 0.625 12 1 "[ . 1 + . 2]" 1
19 1 7 PRO HD2 1 9 TRP H . . 5.310 3.627 2.471 4.599 . 0 0 "[ . 1 . 2]" 1
20 1 7 PRO HD2 1 10 THR MG . . 5.040 4.545 2.516 5.558 0.518 11 1 "[ . 1+ . 2]" 1
21 1 7 PRO HD2 1 63 LEU QD . . 4.770 2.438 1.811 3.320 . 0 0 "[ . 1 . 2]" 1
22 1 7 PRO HD3 1 63 LEU QD . . 3.690 2.960 2.076 3.912 0.222 2 0 "[ . 1 . 2]" 1
23 1 7 PRO HG2 1 9 TRP HE1 . . 5.190 4.774 3.413 5.545 0.355 7 0 "[ . 1 . 2]" 1
24 1 7 PRO HG2 1 63 LEU QD . . 4.690 2.975 2.009 4.639 . 0 0 "[ . 1 . 2]" 1
25 1 8 ILE H 1 8 ILE HB . . 3.800 2.910 2.479 3.655 . 0 0 "[ . 1 . 2]" 1
26 1 8 ILE H 1 8 ILE MG . . 4.280 2.382 1.875 3.657 . 0 0 "[ . 1 . 2]" 1
27 1 8 ILE H 1 9 TRP H . . 4.450 2.490 1.790 3.417 . 0 0 "[ . 1 . 2]" 1
28 1 8 ILE H 1 9 TRP HD1 . . 5.220 4.058 3.282 5.344 0.124 10 0 "[ . 1 . 2]" 1
29 1 8 ILE HB 1 8 ILE MD . . 3.480 2.357 2.296 2.401 . 0 0 "[ . 1 . 2]" 1
30 1 8 ILE HB 1 9 TRP H . . 5.000 4.206 4.027 4.372 . 0 0 "[ . 1 . 2]" 1
31 1 8 ILE HB 1 101 MET ME . . 3.270 2.600 2.001 3.304 0.034 12 0 "[ . 1 . 2]" 1
32 1 8 ILE HB 1 106 GLY HA3 . . 3.740 3.299 2.281 3.642 . 0 0 "[ . 1 . 2]" 1
33 1 8 ILE MD 1 8 ILE MG . . 3.710 2.489 1.913 3.248 . 0 0 "[ . 1 . 2]" 1
34 1 8 ILE MD 1 14 ALA MB . . 3.600 2.839 2.073 3.644 0.044 16 0 "[ . 1 . 2]" 1
35 1 8 ILE MD 1 15 ALA H . . 4.830 4.414 3.842 4.842 0.012 1 0 "[ . 1 . 2]" 1
36 1 8 ILE MD 1 15 ALA HA . . 3.720 3.159 2.619 3.525 . 0 0 "[ . 1 . 2]" 1
37 1 8 ILE MD 1 15 ALA MB . . 4.640 4.071 3.711 4.376 . 0 0 "[ . 1 . 2]" 1
38 1 8 ILE MD 1 18 MET H . . 4.390 3.938 3.405 4.433 0.043 15 0 "[ . 1 . 2]" 1
39 1 8 ILE MD 1 18 MET HB3 . . 4.800 3.215 2.496 4.521 . 0 0 "[ . 1 . 2]" 1
40 1 8 ILE MD 1 18 MET ME . . 3.770 3.366 2.703 3.932 0.162 9 0 "[ . 1 . 2]" 1
41 1 8 ILE MD 1 18 MET QG . . 4.390 2.653 1.850 3.878 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE MD 1 101 MET HA . . 4.680 3.134 2.500 3.848 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE MD 1 101 MET ME . . 3.510 2.945 2.397 3.528 0.018 9 0 "[ . 1 . 2]" 1
44 1 8 ILE MD 1 101 MET QG . . 4.940 3.731 2.263 4.844 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE MD 1 104 ALA MB . . 3.930 2.124 1.881 2.685 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE MD 1 105 THR H . . 5.290 3.314 2.997 3.790 . 0 0 "[ . 1 . 2]" 1
47 1 8 ILE MD 1 105 THR MG . . 3.400 3.026 2.506 3.463 0.063 12 0 "[ . 1 . 2]" 1
48 1 8 ILE MD 1 106 GLY H . . 5.070 2.663 2.112 4.735 . 0 0 "[ . 1 . 2]" 1
49 1 8 ILE MD 1 106 GLY HA3 . . 3.590 2.690 1.951 3.610 0.020 1 0 "[ . 1 . 2]" 1
50 1 8 ILE HG12 1 14 ALA MB . . 4.880 3.629 2.672 5.005 0.125 3 0 "[ . 1 . 2]" 1
51 1 8 ILE HG12 1 15 ALA H . . 4.970 4.402 3.244 5.945 0.975 4 4 "[ -+. 1 . * *2]" 1
52 1 8 ILE HG12 1 15 ALA HA . . 4.450 2.789 2.264 3.626 . 0 0 "[ . 1 . 2]" 1
53 1 8 ILE HG12 1 18 MET ME . . 3.420 3.198 2.562 3.611 0.191 10 0 "[ . 1 . 2]" 1
54 1 8 ILE HG12 1 101 MET ME . . 4.740 4.148 2.828 5.120 0.380 20 0 "[ . 1 . 2]" 1
55 1 8 ILE HG13 1 10 THR H . . 4.950 4.663 3.987 5.303 0.353 12 0 "[ . 1 . 2]" 1
56 1 8 ILE HG13 1 14 ALA MB . . 4.580 3.012 2.034 3.964 . 0 0 "[ . 1 . 2]" 1
57 1 8 ILE HG13 1 15 ALA HA . . 4.370 3.481 2.053 4.527 0.157 15 0 "[ . 1 . 2]" 1
58 1 8 ILE HG13 1 15 ALA MB . . 5.130 3.955 2.670 4.697 . 0 0 "[ . 1 . 2]" 1
59 1 8 ILE HG13 1 18 MET ME . . 5.230 4.214 2.956 5.006 . 0 0 "[ . 1 . 2]" 1
60 1 8 ILE HG13 1 106 GLY HA3 . . 4.090 3.971 2.876 4.795 0.705 19 4 "[ . 1 * . -*+2]" 1
61 1 8 ILE MG 1 9 TRP H . . 4.190 2.610 2.233 2.918 . 0 0 "[ . 1 . 2]" 1
62 1 8 ILE MG 1 9 TRP HD1 . . 4.160 3.275 2.681 4.005 . 0 0 "[ . 1 . 2]" 1
63 1 8 ILE MG 1 9 TRP HE1 . . 5.500 3.479 3.114 4.155 . 0 0 "[ . 1 . 2]" 1
64 1 8 ILE MG 1 15 ALA MB . . 5.120 3.312 2.727 3.958 . 0 0 "[ . 1 . 2]" 1
65 1 8 ILE MG 1 18 MET ME . . 3.810 2.305 1.875 2.801 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE MG 1 101 MET ME . . 3.940 2.438 2.077 2.841 . 0 0 "[ . 1 . 2]" 1
67 1 8 ILE MG 1 106 GLY HA3 . . 4.810 4.722 3.948 5.003 0.193 13 0 "[ . 1 . 2]" 1
68 1 8 ILE MG 1 112 PHE QE . . 4.490 3.498 2.817 4.164 . 0 0 "[ . 1 . 2]" 1
69 1 9 TRP H 1 9 TRP HD1 . . 3.880 2.744 2.439 3.076 . 0 0 "[ . 1 . 2]" 1
70 1 9 TRP H 1 10 THR H . . 4.080 2.990 2.472 3.768 . 0 0 "[ . 1 . 2]" 1
71 1 9 TRP H 1 11 ASN H . . 5.500 5.041 4.346 5.554 0.054 8 0 "[ . 1 . 2]" 1
72 1 9 TRP H 1 63 LEU QD . . 5.150 3.599 3.089 4.352 . 0 0 "[ . 1 . 2]" 1
73 1 9 TRP HA 1 10 THR H . . 3.360 2.952 2.390 3.336 . 0 0 "[ . 1 . 2]" 1
74 1 9 TRP HA 1 11 ASN H . . 4.020 3.641 3.153 4.016 . 0 0 "[ . 1 . 2]" 1
75 1 9 TRP HA 1 15 ALA MB . . 4.080 2.276 1.907 2.609 . 0 0 "[ . 1 . 2]" 1
76 1 9 TRP HB2 1 10 THR H . . 4.400 3.963 3.385 4.406 0.006 1 0 "[ . 1 . 2]" 1
77 1 9 TRP HB2 1 54 MET ME . . 3.530 3.454 3.118 3.659 0.129 16 0 "[ . 1 . 2]" 1
78 1 9 TRP HB2 1 63 LEU QD . . 4.730 2.165 1.826 3.020 . 0 0 "[ . 1 . 2]" 1
79 1 9 TRP HB3 1 10 THR H . . 5.000 4.368 4.180 4.492 . 0 0 "[ . 1 . 2]" 1
80 1 9 TRP HB3 1 51 MET HG3 . . 4.380 4.480 3.879 5.337 0.957 17 4 "[* . * 1- . + 2]" 1
81 1 9 TRP HB3 1 54 MET ME . . 3.570 2.270 1.813 2.846 . 0 0 "[ . 1 . 2]" 1
82 1 9 TRP HB3 1 63 LEU QD . . 4.650 2.909 2.200 3.558 . 0 0 "[ . 1 . 2]" 1
83 1 9 TRP HD1 1 54 MET ME . . 4.700 4.665 4.258 4.851 0.151 6 0 "[ . 1 . 2]" 1
84 1 9 TRP HD1 1 63 LEU QD . . 4.150 3.038 2.357 3.805 . 0 0 "[ . 1 . 2]" 1
85 1 9 TRP HE1 1 63 LEU QD . . 5.500 4.790 4.134 5.461 . 0 0 "[ . 1 . 2]" 1
86 1 9 TRP HE1 1 67 ASN H . . 4.700 4.400 3.234 4.765 0.065 1 0 "[ . 1 . 2]" 1
87 1 9 TRP HE1 1 67 ASN HA . . 4.730 3.914 2.782 4.725 . 0 0 "[ . 1 . 2]" 1
88 1 9 TRP HE1 1 67 ASN HB3 . . 5.210 4.013 2.337 5.267 0.057 17 0 "[ . 1 . 2]" 1
89 1 9 TRP HE1 1 112 PHE QE . . 4.180 2.038 1.735 2.507 . 0 0 "[ . 1 . 2]" 1
90 1 9 TRP HE3 1 15 ALA MB . . 3.760 2.523 2.292 2.779 . 0 0 "[ . 1 . 2]" 1
91 1 9 TRP HE3 1 51 MET QB . . 4.160 3.493 2.922 4.209 0.049 3 0 "[ . 1 . 2]" 1
92 1 9 TRP HE3 1 51 MET HG3 . . 3.630 2.402 1.976 2.999 . 0 0 "[ . 1 . 2]" 1
93 1 9 TRP HE3 1 54 MET ME . . 3.750 2.730 2.008 3.301 . 0 0 "[ . 1 . 2]" 1
94 1 9 TRP HE3 1 66 MET ME . . 4.300 3.823 3.331 4.316 0.016 13 0 "[ . 1 . 2]" 1
95 1 9 TRP HH2 1 18 MET ME . . 3.630 3.123 2.730 3.630 0.000 10 0 "[ . 1 . 2]" 1
96 1 9 TRP HH2 1 19 THR MG . . 4.560 4.604 4.429 4.686 0.126 19 0 "[ . 1 . 2]" 1
97 1 9 TRP HH2 1 47 VAL QG . . 3.370 2.448 2.052 3.170 . 0 0 "[ . 1 . 2]" 1
98 1 9 TRP HH2 1 66 MET ME . . 4.620 3.352 2.759 3.954 . 0 0 "[ . 1 . 2]" 1
99 1 9 TRP HH2 1 70 MET ME . . 4.260 3.361 2.377 4.000 . 0 0 "[ . 1 . 2]" 1
100 1 9 TRP HZ2 1 18 MET ME . . 4.280 3.028 2.552 3.665 . 0 0 "[ . 1 . 2]" 1
101 1 9 TRP HZ2 1 66 MET ME . . 4.600 4.281 3.735 4.630 0.030 20 0 "[ . 1 . 2]" 1
102 1 9 TRP HZ2 1 70 MET ME . . 4.320 2.890 2.017 3.704 . 0 0 "[ . 1 . 2]" 1
103 1 9 TRP HZ3 1 15 ALA MB . . 4.010 2.781 2.490 3.282 . 0 0 "[ . 1 . 2]" 1
104 1 9 TRP HZ3 1 47 VAL QG . . 3.710 2.737 2.502 3.699 . 0 0 "[ . 1 . 2]" 1
105 1 9 TRP HZ3 1 51 MET ME . . 4.290 3.786 3.099 4.354 0.064 10 0 "[ . 1 . 2]" 1
106 1 9 TRP HZ3 1 51 MET HG3 . . 4.660 2.812 2.169 4.028 . 0 0 "[ . 1 . 2]" 1
107 1 10 THR H 1 10 THR HG1 . . 4.040 2.847 2.099 4.168 0.128 10 0 "[ . 1 . 2]" 1
108 1 10 THR H 1 10 THR MG . . 3.740 3.265 1.872 3.887 0.147 1 0 "[ . 1 . 2]" 1
109 1 10 THR H 1 11 ASN H . . 3.030 2.391 1.744 2.746 . 0 0 "[ . 1 . 2]" 1
110 1 10 THR HA 1 10 THR MG . . 3.460 2.296 2.145 3.212 . 0 0 "[ . 1 . 2]" 1
111 1 10 THR HG1 1 11 ASN H . . 4.670 4.093 2.321 4.712 0.042 17 0 "[ . 1 . 2]" 1
112 1 10 THR MG 1 11 ASN H . . 4.610 3.956 2.886 4.360 . 0 0 "[ . 1 . 2]" 1
113 1 10 THR MG 1 57 ASN HA . . 5.110 4.345 2.450 5.157 0.047 9 0 "[ . 1 . 2]" 1
114 1 10 THR MG 1 58 PRO HD2 . . 4.950 3.903 2.222 4.946 . 0 0 "[ . 1 . 2]" 1
115 1 10 THR MG 1 58 PRO HD3 . . 5.160 4.470 2.422 5.233 0.073 15 0 "[ . 1 . 2]" 1
116 1 11 ASN H 1 11 ASN HB2 . . 3.550 3.545 3.136 3.926 0.376 4 0 "[ . 1 . 2]" 1
117 1 11 ASN H 1 11 ASN HB3 . . 3.760 2.994 2.516 3.401 . 0 0 "[ . 1 . 2]" 1
118 1 11 ASN H 1 12 PRO HD2 . . 4.850 4.831 4.661 4.937 0.087 4 0 "[ . 1 . 2]" 1
119 1 11 ASN H 1 12 PRO HD3 . . 4.850 4.355 3.773 4.861 0.011 6 0 "[ . 1 . 2]" 1
120 1 11 ASN HA 1 12 PRO HA . . 4.410 4.415 4.291 4.486 0.076 10 0 "[ . 1 . 2]" 1
121 1 11 ASN HA 1 12 PRO HD2 . . 3.540 2.288 1.886 2.806 . 0 0 "[ . 1 . 2]" 1
122 1 11 ASN HA 1 12 PRO HD3 . . 3.410 2.137 2.015 2.537 . 0 0 "[ . 1 . 2]" 1
123 1 11 ASN HA 1 12 PRO QG . . 4.330 3.842 3.746 3.972 . 0 0 "[ . 1 . 2]" 1
124 1 11 ASN HA 1 13 ASN H . . 4.580 4.247 3.750 4.644 0.064 4 0 "[ . 1 . 2]" 1
125 1 11 ASN HB2 1 11 ASN HD22 . . 3.930 3.573 3.434 3.760 . 0 0 "[ . 1 . 2]" 1
126 1 11 ASN HB2 1 14 ALA H . . 5.070 4.268 3.524 5.016 . 0 0 "[ . 1 . 2]" 1
127 1 11 ASN HB3 1 14 ALA H . . 4.510 3.907 2.616 5.134 0.624 18 1 "[ . 1 . + 2]" 1
128 1 11 ASN HB3 1 14 ALA MB . . 3.800 3.116 1.900 4.468 0.668 8 3 "[ . + 1* . -2]" 1
129 1 11 ASN HD21 1 12 PRO HD2 . . 5.370 4.616 3.373 5.884 0.514 10 1 "[ . + . 2]" 1
130 1 11 ASN HD21 1 14 ALA H . . 4.070 3.449 2.346 4.886 0.816 7 2 "[- . + 1 . 2]" 1
131 1 11 ASN HD21 1 14 ALA MB . . 4.350 3.102 2.023 4.657 0.307 4 0 "[ . 1 . 2]" 1
132 1 11 ASN HD22 1 14 ALA MB . . 4.490 3.042 1.846 4.519 0.029 3 0 "[ . 1 . 2]" 1
133 1 12 PRO HA 1 14 ALA H . . 4.390 4.340 3.653 4.511 0.121 7 0 "[ . 1 . 2]" 1
134 1 12 PRO HA 1 15 ALA H . . 4.470 3.801 3.517 4.097 . 0 0 "[ . 1 . 2]" 1
135 1 12 PRO HA 1 15 ALA MB . . 4.090 3.085 2.547 3.687 . 0 0 "[ . 1 . 2]" 1
136 1 12 PRO HA 1 16 MET H . . 4.420 3.872 3.419 4.181 . 0 0 "[ . 1 . 2]" 1
137 1 12 PRO HA 1 51 MET ME . . 3.380 2.569 2.188 3.055 . 0 0 "[ . 1 . 2]" 1
138 1 12 PRO HB2 1 13 ASN H . . 4.290 2.454 2.162 3.043 . 0 0 "[ . 1 . 2]" 1
139 1 12 PRO HB3 1 13 ASN H . . 3.830 3.823 3.625 4.091 0.261 11 0 "[ . 1 . 2]" 1
140 1 12 PRO HB3 1 51 MET ME . . 3.720 2.796 2.045 3.578 . 0 0 "[ . 1 . 2]" 1
141 1 12 PRO HD2 1 13 ASN H . . 4.370 3.132 2.870 3.384 . 0 0 "[ . 1 . 2]" 1
142 1 12 PRO HD3 1 13 ASN H . . 4.700 4.273 4.085 4.462 . 0 0 "[ . 1 . 2]" 1
143 1 12 PRO QG 1 13 ASN H . . 4.240 3.557 2.427 3.843 . 0 0 "[ . 1 . 2]" 1
144 1 13 ASN H 1 13 ASN HB2 . . 2.960 2.501 2.324 2.630 . 0 0 "[ . 1 . 2]" 1
145 1 13 ASN H 1 13 ASN QB . . 3.150 2.258 2.202 2.291 . 0 0 "[ . 1 . 2]" 1
146 1 13 ASN H 1 13 ASN HB3 . . 3.230 2.595 2.438 2.813 . 0 0 "[ . 1 . 2]" 1
147 1 13 ASN H 1 13 ASN HD21 . . 4.970 4.606 4.266 4.766 . 0 0 "[ . 1 . 2]" 1
148 1 13 ASN H 1 14 ALA H . . 3.090 2.669 2.550 2.840 . 0 0 "[ . 1 . 2]" 1
149 1 13 ASN H 1 14 ALA MB . . 4.640 4.323 4.135 4.495 . 0 0 "[ . 1 . 2]" 1
150 1 13 ASN H 1 15 ALA H . . 4.880 4.359 4.110 4.678 . 0 0 "[ . 1 . 2]" 1
151 1 13 ASN H 1 51 MET ME . . 5.490 4.694 4.516 4.987 . 0 0 "[ . 1 . 2]" 1
152 1 13 ASN HA 1 13 ASN HD22 . . 5.160 4.197 3.304 4.722 . 0 0 "[ . 1 . 2]" 1
153 1 13 ASN QB 1 14 ALA H . . 3.460 2.775 2.546 3.592 0.132 20 0 "[ . 1 . 2]" 1
154 1 13 ASN HB2 1 14 ALA MB . . 5.100 5.276 5.117 5.416 0.316 6 0 "[ . 1 . 2]" 1
155 1 13 ASN HB3 1 14 ALA H . . 3.680 2.846 2.582 3.828 0.148 20 0 "[ . 1 . 2]" 1
156 1 14 ALA H 1 14 ALA MB . . 3.090 2.261 2.219 2.483 . 0 0 "[ . 1 . 2]" 1
157 1 14 ALA H 1 15 ALA H . . 3.070 2.534 1.984 2.781 . 0 0 "[ . 1 . 2]" 1
158 1 14 ALA H 1 16 MET H . . 4.790 4.015 3.335 4.381 . 0 0 "[ . 1 . 2]" 1
159 1 14 ALA H 1 105 THR MG . . 5.230 4.533 3.856 4.889 . 0 0 "[ . 1 . 2]" 1
160 1 14 ALA HA 1 105 THR MG . . 3.400 3.143 2.143 3.452 0.052 2 0 "[ . 1 . 2]" 1
161 1 14 ALA MB 1 15 ALA H . . 3.630 2.390 2.210 2.530 . 0 0 "[ . 1 . 2]" 1
162 1 14 ALA MB 1 15 ALA HA . . 4.620 3.765 3.698 3.829 . 0 0 "[ . 1 . 2]" 1
163 1 14 ALA MB 1 17 THR H . . 4.830 4.629 4.373 4.824 . 0 0 "[ . 1 . 2]" 1
164 1 14 ALA MB 1 105 THR MG . . 3.490 1.953 1.816 2.092 . 0 0 "[ . 1 . 2]" 1
165 1 15 ALA H 1 15 ALA MB . . 3.390 2.233 2.214 2.262 . 0 0 "[ . 1 . 2]" 1
166 1 15 ALA H 1 16 MET H . . 3.550 2.664 2.453 2.900 . 0 0 "[ . 1 . 2]" 1
167 1 15 ALA H 1 17 THR HB . . 4.990 5.063 5.002 5.133 0.143 16 0 "[ . 1 . 2]" 1
168 1 15 ALA H 1 104 ALA MB . . 5.060 4.796 4.479 5.033 . 0 0 "[ . 1 . 2]" 1
169 1 15 ALA HA 1 18 MET H . . 4.650 3.671 3.414 3.841 . 0 0 "[ . 1 . 2]" 1
170 1 15 ALA HA 1 18 MET ME . . 3.740 2.402 1.858 2.698 . 0 0 "[ . 1 . 2]" 1
171 1 15 ALA HA 1 18 MET QG . . 4.150 2.490 2.298 2.616 . 0 0 "[ . 1 . 2]" 1
172 1 15 ALA HA 1 19 THR H . . 4.530 4.510 4.340 4.631 0.101 15 0 "[ . 1 . 2]" 1
173 1 15 ALA HA 1 104 ALA MB . . 4.990 4.179 3.856 4.608 . 0 0 "[ . 1 . 2]" 1
174 1 15 ALA MB 1 16 MET H . . 3.730 2.477 2.226 2.645 . 0 0 "[ . 1 . 2]" 1
175 1 15 ALA MB 1 16 MET HA . . 4.800 3.807 3.734 3.879 . 0 0 "[ . 1 . 2]" 1
176 1 15 ALA MB 1 16 MET HG3 . . 5.220 5.351 5.228 5.515 0.295 15 0 "[ . 1 . 2]" 1
177 1 15 ALA MB 1 17 THR H . . 5.200 4.375 4.286 4.472 . 0 0 "[ . 1 . 2]" 1
178 1 15 ALA MB 1 51 MET ME . . 3.380 2.511 1.996 3.356 . 0 0 "[ . 1 . 2]" 1
179 1 15 ALA MB 1 51 MET HG2 . . 4.900 3.818 3.211 4.433 . 0 0 "[ . 1 . 2]" 1
180 1 15 ALA MB 1 51 MET HG3 . . 4.920 2.773 2.150 3.882 . 0 0 "[ . 1 . 2]" 1
181 1 16 MET H 1 16 MET HB2 . . 3.370 2.057 2.031 2.111 . 0 0 "[ . 1 . 2]" 1
182 1 16 MET H 1 16 MET HB3 . . 3.440 3.313 3.245 3.414 . 0 0 "[ . 1 . 2]" 1
183 1 16 MET H 1 16 MET HG2 . . 3.600 3.446 3.211 3.723 0.123 11 0 "[ . 1 . 2]" 1
184 1 16 MET H 1 16 MET HG3 . . 4.090 4.196 4.141 4.290 0.200 11 0 "[ . 1 . 2]" 1
185 1 16 MET H 1 17 THR H . . 3.200 2.627 2.565 2.738 . 0 0 "[ . 1 . 2]" 1
186 1 16 MET H 1 18 MET QG . . 4.890 4.668 4.447 4.867 . 0 0 "[ . 1 . 2]" 1
187 1 16 MET H 1 51 MET ME . . 3.720 2.753 2.518 3.250 . 0 0 "[ . 1 . 2]" 1
188 1 16 MET H 1 104 ALA MB . . 5.500 5.505 5.336 5.571 0.071 11 0 "[ . 1 . 2]" 1
189 1 16 MET HA 1 16 MET ME . . 3.180 1.864 1.785 2.680 . 0 0 "[ . 1 . 2]" 1
190 1 16 MET HA 1 16 MET HG2 . . 3.750 2.563 2.391 3.497 . 0 0 "[ . 1 . 2]" 1
191 1 16 MET HA 1 16 MET HG3 . . 3.930 3.541 2.819 3.605 . 0 0 "[ . 1 . 2]" 1
192 1 16 MET HA 1 19 THR H . . 3.400 3.392 3.114 3.488 0.088 13 0 "[ . 1 . 2]" 1
193 1 16 MET HA 1 19 THR HB . . 4.460 2.685 2.368 3.388 . 0 0 "[ . 1 . 2]" 1
194 1 16 MET HA 1 19 THR HG1 . . 3.890 3.358 2.157 3.913 0.023 2 0 "[ . 1 . 2]" 1
195 1 16 MET HB2 1 16 MET HG3 . . 2.910 2.410 2.326 2.933 0.023 11 0 "[ . 1 . 2]" 1
196 1 16 MET HB2 1 51 MET ME . . 2.460 2.562 2.495 2.647 0.187 1 0 "[ . 1 . 2]" 1
197 1 16 MET HB3 1 16 MET HG3 . . 2.830 2.437 2.252 2.514 . 0 0 "[ . 1 . 2]" 1
198 1 16 MET HB3 1 17 THR H . . 4.050 3.219 2.868 3.470 . 0 0 "[ . 1 . 2]" 1
199 1 16 MET HB3 1 20 ASN HD21 . . 4.450 3.139 2.648 4.173 . 0 0 "[ . 1 . 2]" 1
200 1 16 MET ME 1 16 MET HG2 . . 3.250 2.331 2.232 3.250 . 0 0 "[ . 1 . 2]" 1
201 1 16 MET ME 1 16 MET HG3 . . 3.560 3.237 2.265 3.351 . 0 0 "[ . 1 . 2]" 1
202 1 16 MET ME 1 19 THR H . . 5.430 3.841 3.606 4.533 . 0 0 "[ . 1 . 2]" 1
203 1 16 MET ME 1 19 THR HB . . 3.880 2.000 1.843 2.617 . 0 0 "[ . 1 . 2]" 1
204 1 16 MET ME 1 19 THR HG1 . . 4.610 3.237 2.270 3.871 . 0 0 "[ . 1 . 2]" 1
205 1 16 MET ME 1 19 THR MG . . 3.820 2.111 1.922 2.268 . 0 0 "[ . 1 . 2]" 1
206 1 16 MET ME 1 20 ASN H . . 4.550 3.810 3.213 4.534 . 0 0 "[ . 1 . 2]" 1
207 1 16 MET ME 1 20 ASN HD22 . . 3.830 3.656 3.114 4.317 0.487 20 0 "[ . 1 . 2]" 1
208 1 16 MET ME 1 44 ALA HA . . 4.620 3.280 2.430 3.889 . 0 0 "[ . 1 . 2]" 1
209 1 16 MET ME 1 44 ALA MB . . 4.010 2.764 2.238 4.029 0.019 20 0 "[ . 1 . 2]" 1
210 1 16 MET ME 1 47 VAL HB . . 2.400 2.404 2.030 2.483 0.083 20 0 "[ . 1 . 2]" 1
211 1 16 MET ME 1 47 VAL QG . . 4.170 2.414 1.810 2.657 . 0 0 "[ . 1 . 2]" 1
212 1 16 MET ME 1 48 ASN H . . 4.000 2.607 2.396 2.994 . 0 0 "[ . 1 . 2]" 1
213 1 16 MET ME 1 48 ASN HA . . 3.670 2.800 2.400 3.339 . 0 0 "[ . 1 . 2]" 1
214 1 16 MET ME 1 48 ASN HB2 . . 4.490 3.527 3.278 3.937 . 0 0 "[ . 1 . 2]" 1
215 1 16 MET ME 1 48 ASN HB3 . . 4.260 2.250 1.867 4.202 . 0 0 "[ . 1 . 2]" 1
216 1 16 MET ME 1 48 ASN HD21 . . 5.500 2.559 2.257 3.476 . 0 0 "[ . 1 . 2]" 1
217 1 16 MET ME 1 48 ASN HD22 . . 3.990 3.720 2.638 4.875 0.885 20 1 "[ . 1 . +]" 1
218 1 16 MET ME 1 51 MET ME . . 3.210 3.029 2.185 3.390 0.180 11 0 "[ . 1 . 2]" 1
219 1 16 MET HG2 1 17 THR H . . 4.980 5.069 4.966 5.325 0.345 11 0 "[ . 1 . 2]" 1
220 1 16 MET HG2 1 47 VAL QG . . 4.770 4.165 3.831 5.100 0.330 11 0 "[ . 1 . 2]" 1
221 1 16 MET HG2 1 48 ASN H . . 4.760 4.684 4.256 5.757 0.997 11 1 "[ . 1+ . 2]" 1
222 1 16 MET HG2 1 51 MET ME . . 3.080 1.986 1.764 2.128 . 0 0 "[ . 1 . 2]" 1
223 1 16 MET HG3 1 51 MET ME . . 3.170 2.776 2.530 3.252 0.082 11 0 "[ . 1 . 2]" 1
224 1 17 THR H 1 17 THR HB . . 3.150 2.496 2.423 2.581 . 0 0 "[ . 1 . 2]" 1
225 1 17 THR H 1 17 THR MG . . 3.770 3.761 3.740 3.779 0.009 10 0 "[ . 1 . 2]" 1
226 1 17 THR H 1 18 MET H . . 3.400 2.840 2.734 2.939 . 0 0 "[ . 1 . 2]" 1
227 1 17 THR HA 1 17 THR MG . . 3.330 2.436 2.343 2.512 . 0 0 "[ . 1 . 2]" 1
228 1 17 THR HA 1 20 ASN H . . 4.300 3.731 3.577 3.939 . 0 0 "[ . 1 . 2]" 1
229 1 17 THR HA 1 20 ASN HD21 . . 4.700 3.509 3.133 3.931 . 0 0 "[ . 1 . 2]" 1
230 1 17 THR HA 1 20 ASN HD22 . . 5.080 4.744 2.354 5.136 0.056 12 0 "[ . 1 . 2]" 1
231 1 17 THR HB 1 18 MET H . . 3.570 2.499 2.318 2.693 . 0 0 "[ . 1 . 2]" 1
232 1 17 THR HB 1 104 ALA MB . . 4.010 2.345 2.134 2.539 . 0 0 "[ . 1 . 2]" 1
233 1 17 THR MG 1 18 MET H . . 4.000 3.222 3.068 3.387 . 0 0 "[ . 1 . 2]" 1
234 1 17 THR MG 1 19 THR H . . 5.440 4.871 4.760 5.167 . 0 0 "[ . 1 . 2]" 1
235 1 17 THR MG 1 20 ASN HD21 . . 5.230 5.290 4.859 5.616 0.386 18 0 "[ . 1 . 2]" 1
236 1 17 THR MG 1 21 ASN H . . 4.520 4.178 4.015 4.487 . 0 0 "[ . 1 . 2]" 1
237 1 17 THR MG 1 21 ASN HB2 . . 4.670 3.921 3.632 4.064 . 0 0 "[ . 1 . 2]" 1
238 1 17 THR MG 1 21 ASN HD21 . . 4.080 2.644 2.307 3.928 . 0 0 "[ . 1 . 2]" 1
239 1 17 THR MG 1 21 ASN HD22 . . 3.920 2.348 2.059 3.211 . 0 0 "[ . 1 . 2]" 1
240 1 17 THR MG 1 103 GLN HB2 . . 4.530 4.505 3.973 4.660 0.130 16 0 "[ . 1 . 2]" 1
241 1 17 THR MG 1 103 GLN HB3 . . 4.530 3.704 2.981 3.963 . 0 0 "[ . 1 . 2]" 1
242 1 17 THR MG 1 103 GLN HG2 . . 5.290 5.533 4.306 6.000 0.710 12 3 "[ . 1 + .*- 2]" 1
243 1 17 THR MG 1 104 ALA H . . 4.730 3.804 3.587 4.011 . 0 0 "[ . 1 . 2]" 1
244 1 17 THR MG 1 104 ALA HA . . 3.170 2.022 1.795 2.296 . 0 0 "[ . 1 . 2]" 1
245 1 17 THR MG 1 104 ALA MB . . 3.530 2.546 2.334 2.793 . 0 0 "[ . 1 . 2]" 1
246 1 17 THR MG 1 105 THR H . . 5.370 4.971 4.742 5.173 . 0 0 "[ . 1 . 2]" 1
247 1 18 MET H 1 18 MET HB2 . . 3.690 3.544 2.752 3.641 . 0 0 "[ . 1 . 2]" 1
248 1 18 MET H 1 18 MET HB3 . . 4.150 2.750 2.504 3.626 . 0 0 "[ . 1 . 2]" 1
249 1 18 MET H 1 18 MET QG . . 3.670 2.073 1.892 2.358 . 0 0 "[ . 1 . 2]" 1
250 1 18 MET H 1 104 ALA MB . . 3.930 2.799 2.568 3.071 . 0 0 "[ . 1 . 2]" 1
251 1 18 MET HA 1 21 ASN H . . 4.770 3.484 3.145 3.900 . 0 0 "[ . 1 . 2]" 1
252 1 18 MET HA 1 21 ASN HB2 . . 4.190 2.550 2.091 2.985 . 0 0 "[ . 1 . 2]" 1
253 1 18 MET HA 1 21 ASN HB3 . . 4.450 4.134 3.668 4.514 0.064 10 0 "[ . 1 . 2]" 1
254 1 18 MET HA 1 104 ALA MB . . 4.210 3.308 3.028 3.741 . 0 0 "[ . 1 . 2]" 1
255 1 18 MET HB2 1 19 THR H . . 4.440 3.726 2.161 3.965 . 0 0 "[ . 1 . 2]" 1
256 1 18 MET HB3 1 104 ALA MB . . 4.880 2.493 1.973 4.409 . 0 0 "[ . 1 . 2]" 1
257 1 18 MET ME 1 18 MET QG . . 3.180 2.237 2.195 2.516 . 0 0 "[ . 1 . 2]" 1
258 1 18 MET ME 1 19 THR H . . 3.890 3.695 3.342 3.928 0.038 16 0 "[ . 1 . 2]" 1
259 1 18 MET ME 1 19 THR HA . . 4.560 4.278 4.004 4.433 . 0 0 "[ . 1 . 2]" 1
260 1 18 MET ME 1 19 THR HG1 . . 4.150 2.829 2.460 3.352 . 0 0 "[ . 1 . 2]" 1
261 1 18 MET ME 1 19 THR MG . . 4.190 4.266 4.183 4.409 0.219 10 0 "[ . 1 . 2]" 1
262 1 18 MET ME 1 70 MET ME . . 3.070 2.644 2.236 3.114 0.044 8 0 "[ . 1 . 2]" 1
263 1 18 MET ME 1 112 PHE QD . . 4.730 4.584 4.168 4.754 0.024 5 0 "[ . 1 . 2]" 1
264 1 18 MET ME 1 112 PHE QE . . 3.980 3.123 2.631 3.425 . 0 0 "[ . 1 . 2]" 1
265 1 18 MET ME 1 112 PHE HZ . . 3.680 2.688 2.304 3.321 . 0 0 "[ . 1 . 2]" 1
266 1 18 MET QG 1 19 THR H . . 4.000 2.596 2.130 3.650 . 0 0 "[ . 1 . 2]" 1
267 1 18 MET QG 1 104 ALA MB . . 4.600 3.170 2.181 3.921 . 0 0 "[ . 1 . 2]" 1
268 1 19 THR H 1 19 THR HB . . 3.600 2.631 2.423 2.884 . 0 0 "[ . 1 . 2]" 1
269 1 19 THR H 1 19 THR HG1 . . 3.420 2.202 1.858 2.493 . 0 0 "[ . 1 . 2]" 1
270 1 19 THR H 1 19 THR MG . . 3.670 3.725 3.591 3.760 0.090 11 0 "[ . 1 . 2]" 1
271 1 19 THR H 1 21 ASN H . . 4.440 4.058 3.940 4.239 . 0 0 "[ . 1 . 2]" 1
272 1 19 THR H 1 70 MET ME . . 5.500 5.335 4.524 5.561 0.061 8 0 "[ . 1 . 2]" 1
273 1 19 THR HA 1 19 THR MG . . 3.600 2.339 2.216 2.452 . 0 0 "[ . 1 . 2]" 1
274 1 19 THR HA 1 22 LEU H . . 4.180 3.657 3.404 3.827 . 0 0 "[ . 1 . 2]" 1
275 1 19 THR HA 1 22 LEU HB2 . . 4.280 3.549 3.145 3.919 . 0 0 "[ . 1 . 2]" 1
276 1 19 THR HA 1 22 LEU HB3 . . 4.060 3.074 2.539 3.364 . 0 0 "[ . 1 . 2]" 1
277 1 19 THR HA 1 43 MET ME . . 4.860 4.510 4.011 4.957 0.097 4 0 "[ . 1 . 2]" 1
278 1 19 THR HA 1 70 MET ME . . 4.230 4.101 3.591 4.279 0.049 12 0 "[ . 1 . 2]" 1
279 1 19 THR HB 1 20 ASN H . . 3.600 2.485 2.290 2.629 . 0 0 "[ . 1 . 2]" 1
280 1 19 THR HG1 1 20 ASN H . . 4.430 4.149 3.748 4.423 . 0 0 "[ . 1 . 2]" 1
281 1 19 THR HG1 1 47 VAL QG . . 5.260 3.297 2.593 4.142 . 0 0 "[ . 1 . 2]" 1
282 1 19 THR HG1 1 70 MET ME . . 5.260 4.019 3.025 5.025 . 0 0 "[ . 1 . 2]" 1
283 1 19 THR MG 1 20 ASN H . . 4.440 3.553 3.290 3.821 . 0 0 "[ . 1 . 2]" 1
284 1 19 THR MG 1 20 ASN HA . . 4.030 3.661 3.267 4.017 . 0 0 "[ . 1 . 2]" 1
285 1 19 THR MG 1 20 ASN HD21 . . 5.280 4.837 4.232 5.419 0.139 2 0 "[ . 1 . 2]" 1
286 1 19 THR MG 1 20 ASN HD22 . . 5.060 4.946 4.361 5.481 0.421 15 0 "[ . 1 . 2]" 1
287 1 19 THR MG 1 22 LEU QD . . 4.010 3.549 3.049 3.928 . 0 0 "[ . 1 . 2]" 1
288 1 19 THR MG 1 43 MET ME . . 3.790 3.015 2.636 3.487 . 0 0 "[ . 1 . 2]" 1
289 1 19 THR MG 1 44 ALA H . . 4.770 4.350 3.990 4.669 . 0 0 "[ . 1 . 2]" 1
290 1 19 THR MG 1 44 ALA HA . . 3.430 2.437 2.053 2.672 . 0 0 "[ . 1 . 2]" 1
291 1 19 THR MG 1 47 VAL HB . . 4.750 2.412 2.109 3.543 . 0 0 "[ . 1 . 2]" 1
292 1 19 THR MG 1 47 VAL QG . . 3.330 2.030 1.785 2.269 . 0 0 "[ . 1 . 2]" 1
293 1 19 THR MG 1 48 ASN H . . 4.470 4.245 4.020 4.592 0.122 3 0 "[ . 1 . 2]" 1
294 1 19 THR MG 1 48 ASN HD21 . . 5.430 4.569 4.298 5.082 . 0 0 "[ . 1 . 2]" 1
295 1 19 THR MG 1 48 ASN HD22 . . 5.500 5.507 4.795 5.617 0.117 20 0 "[ . 1 . 2]" 1
296 1 19 THR MG 1 70 MET ME . . 3.880 3.700 2.798 3.947 0.067 15 0 "[ . 1 . 2]" 1
297 1 20 ASN H 1 20 ASN HB2 . . 3.170 2.418 2.255 3.603 0.433 18 0 "[ . 1 . 2]" 1
298 1 20 ASN H 1 20 ASN HB3 . . 3.530 3.489 2.930 3.563 0.033 20 0 "[ . 1 . 2]" 1
299 1 20 ASN H 1 20 ASN HD21 . . 4.510 2.859 2.326 3.674 . 0 0 "[ . 1 . 2]" 1
300 1 20 ASN H 1 20 ASN HD22 . . 4.940 3.948 2.952 4.422 . 0 0 "[ . 1 . 2]" 1
301 1 20 ASN H 1 21 ASN H . . 3.410 2.589 2.488 2.640 . 0 0 "[ . 1 . 2]" 1
302 1 20 ASN H 1 21 ASN HA . . 5.150 5.196 5.106 5.237 0.087 10 0 "[ . 1 . 2]" 1
303 1 20 ASN HA 1 20 ASN HB3 . . 2.880 2.567 2.317 2.628 . 0 0 "[ . 1 . 2]" 1
304 1 20 ASN HA 1 20 ASN HD21 . . 4.750 3.939 3.630 4.375 . 0 0 "[ . 1 . 2]" 1
305 1 20 ASN HA 1 20 ASN HD22 . . 4.960 4.363 4.098 5.042 0.082 18 0 "[ . 1 . 2]" 1
306 1 20 ASN HA 1 23 VAL H . . 4.540 3.294 2.913 3.536 . 0 0 "[ . 1 . 2]" 1
307 1 20 ASN HA 1 23 VAL MG2 . . 4.040 2.714 2.338 3.170 . 0 0 "[ . 1 . 2]" 1
308 1 20 ASN HB2 1 21 ASN H . . 4.100 2.917 2.663 3.854 . 0 0 "[ . 1 . 2]" 1
309 1 20 ASN HB3 1 20 ASN HD21 . . 3.450 3.168 2.144 3.472 0.022 19 0 "[ . 1 . 2]" 1
310 1 21 ASN H 1 21 ASN HB2 . . 3.230 2.343 2.229 2.407 . 0 0 "[ . 1 . 2]" 1
311 1 21 ASN H 1 21 ASN HB3 . . 3.480 3.569 3.520 3.591 0.111 6 0 "[ . 1 . 2]" 1
312 1 21 ASN H 1 21 ASN HD21 . . 4.640 3.819 2.554 4.684 0.044 19 0 "[ . 1 . 2]" 1
313 1 21 ASN H 1 21 ASN HD22 . . 4.670 4.416 3.952 4.769 0.099 19 0 "[ . 1 . 2]" 1
314 1 21 ASN H 1 22 LEU HB3 . . 5.070 4.723 4.571 4.819 . 0 0 "[ . 1 . 2]" 1
315 1 21 ASN H 1 23 VAL H . . 5.040 4.186 3.930 4.341 . 0 0 "[ . 1 . 2]" 1
316 1 21 ASN HA 1 24 GLN H . . 4.030 3.264 2.959 3.417 . 0 0 "[ . 1 . 2]" 1
317 1 21 ASN HA 1 24 GLN QB . . 3.400 3.472 3.424 3.569 0.169 7 0 "[ . 1 . 2]" 1
318 1 21 ASN HA 1 24 GLN QG . . 4.270 1.823 1.730 1.907 . 0 0 "[ . 1 . 2]" 1
319 1 21 ASN HA 1 25 CYS H . . 4.730 3.892 3.608 4.103 . 0 0 "[ . 1 . 2]" 1
320 1 21 ASN HB2 1 22 LEU H . . 4.210 2.898 2.777 3.080 . 0 0 "[ . 1 . 2]" 1
321 1 21 ASN HB2 1 100 SER HA . . 3.870 3.228 2.809 3.642 . 0 0 "[ . 1 . 2]" 1
322 1 21 ASN HB3 1 22 LEU H . . 4.370 3.652 3.378 3.758 . 0 0 "[ . 1 . 2]" 1
323 1 21 ASN HB3 1 22 LEU HA . . 4.670 4.376 4.192 4.480 . 0 0 "[ . 1 . 2]" 1
324 1 21 ASN HB3 1 100 SER HA . . 3.740 3.115 2.495 3.706 . 0 0 "[ . 1 . 2]" 1
325 1 21 ASN HD21 1 100 SER HA . . 4.590 3.018 2.476 4.389 . 0 0 "[ . 1 . 2]" 1
326 1 21 ASN HD21 1 100 SER HG . . 5.100 5.133 4.563 5.394 0.294 15 0 "[ . 1 . 2]" 1
327 1 21 ASN HD21 1 103 GLN HB2 . . 4.770 3.497 2.760 4.938 0.168 15 0 "[ . 1 . 2]" 1
328 1 21 ASN HD21 1 103 GLN HB3 . . 4.700 3.194 2.290 4.422 . 0 0 "[ . 1 . 2]" 1
329 1 21 ASN HD21 1 104 ALA H . . 5.320 4.645 3.903 5.727 0.407 19 0 "[ . 1 . 2]" 1
330 1 21 ASN HD21 1 104 ALA MB . . 5.420 4.170 3.640 5.591 0.171 19 0 "[ . 1 . 2]" 1
331 1 21 ASN HD22 1 100 SER HA . . 4.990 4.393 3.819 4.881 . 0 0 "[ . 1 . 2]" 1
332 1 21 ASN HD22 1 103 GLN HB2 . . 4.620 4.186 3.534 4.924 0.304 11 0 "[ . 1 . 2]" 1
333 1 21 ASN HD22 1 103 GLN HB3 . . 4.910 3.162 2.382 3.986 . 0 0 "[ . 1 . 2]" 1
334 1 22 LEU H 1 22 LEU HB2 . . 3.620 2.586 2.548 2.668 . 0 0 "[ . 1 . 2]" 1
335 1 22 LEU H 1 22 LEU HB3 . . 3.530 2.434 2.386 2.487 . 0 0 "[ . 1 . 2]" 1
336 1 22 LEU H 1 22 LEU QD . . 4.040 3.733 3.718 3.756 . 0 0 "[ . 1 . 2]" 1
337 1 22 LEU H 1 22 LEU HG . . 4.470 4.430 4.397 4.465 . 0 0 "[ . 1 . 2]" 1
338 1 22 LEU H 1 23 VAL H . . 3.540 2.636 2.554 2.769 . 0 0 "[ . 1 . 2]" 1
339 1 22 LEU H 1 24 GLN H . . 4.060 4.155 4.120 4.186 0.126 4 0 "[ . 1 . 2]" 1
340 1 22 LEU HA 1 22 LEU QD . . 3.430 2.154 2.111 2.214 . 0 0 "[ . 1 . 2]" 1
341 1 22 LEU HA 1 24 GLN QG . . 4.840 4.574 4.385 4.708 . 0 0 "[ . 1 . 2]" 1
342 1 22 LEU HA 1 25 CYS H . . 4.490 3.686 3.559 3.755 . 0 0 "[ . 1 . 2]" 1
343 1 22 LEU HA 1 25 CYS HB2 . . 4.580 3.784 3.479 4.042 . 0 0 "[ . 1 . 2]" 1
344 1 22 LEU HA 1 25 CYS HB3 . . 4.470 2.908 2.803 3.031 . 0 0 "[ . 1 . 2]" 1
345 1 22 LEU HA 1 96 CYS HB3 . . 4.160 2.561 2.444 2.696 . 0 0 "[ . 1 . 2]" 1
346 1 22 LEU HB2 1 23 VAL H . . 4.360 3.840 3.776 3.930 . 0 0 "[ . 1 . 2]" 1
347 1 22 LEU HB2 1 97 LEU HA . . 4.610 3.332 2.906 3.737 . 0 0 "[ . 1 . 2]" 1
348 1 22 LEU HB3 1 23 VAL H . . 4.540 2.506 2.387 2.664 . 0 0 "[ . 1 . 2]" 1
349 1 22 LEU HB3 1 43 MET ME . . 4.100 3.870 3.273 4.197 0.097 1 0 "[ . 1 . 2]" 1
350 1 22 LEU QD 1 26 ALA H . . 4.460 4.012 3.822 4.196 . 0 0 "[ . 1 . 2]" 1
351 1 22 LEU QD 1 40 MET ME . . 2.820 2.534 2.343 2.726 . 0 0 "[ . 1 . 2]" 1
352 1 22 LEU QD 1 43 MET ME . . 3.100 2.542 2.198 2.798 . 0 0 "[ . 1 . 2]" 1
353 1 22 LEU QD 1 96 CYS H . . 4.370 3.916 3.620 4.175 . 0 0 "[ . 1 . 2]" 1
354 1 22 LEU QD 1 96 CYS HA . . 4.130 4.109 3.939 4.161 0.031 6 0 "[ . 1 . 2]" 1
355 1 22 LEU QD 1 96 CYS HB2 . . 4.220 2.097 1.924 2.287 . 0 0 "[ . 1 . 2]" 1
356 1 22 LEU QD 1 96 CYS HB3 . . 3.810 2.435 2.195 2.726 . 0 0 "[ . 1 . 2]" 1
357 1 22 LEU QD 1 97 LEU H . . 3.910 2.852 2.529 3.506 . 0 0 "[ . 1 . 2]" 1
358 1 22 LEU HG 1 23 VAL H . . 4.400 3.609 3.437 3.763 . 0 0 "[ . 1 . 2]" 1
359 1 22 LEU HG 1 23 VAL MG2 . . 3.860 3.763 3.529 3.932 0.072 15 0 "[ . 1 . 2]" 1
360 1 22 LEU HG 1 40 MET ME . . 4.310 2.247 1.987 2.568 . 0 0 "[ . 1 . 2]" 1
361 1 23 VAL H 1 23 VAL HB . . 3.270 2.562 2.532 2.595 . 0 0 "[ . 1 . 2]" 1
362 1 23 VAL H 1 23 VAL MG1 . . 3.950 3.767 3.758 3.776 . 0 0 "[ . 1 . 2]" 1
363 1 23 VAL H 1 23 VAL MG2 . . 3.300 2.021 1.968 2.098 . 0 0 "[ . 1 . 2]" 1
364 1 23 VAL H 1 24 GLN H . . 3.620 2.709 2.626 2.768 . 0 0 "[ . 1 . 2]" 1
365 1 23 VAL H 1 40 MET ME . . 4.310 3.826 3.641 4.260 . 0 0 "[ . 1 . 2]" 1
366 1 23 VAL H 1 43 MET ME . . 4.780 4.478 4.072 4.819 0.039 14 0 "[ . 1 . 2]" 1
367 1 23 VAL HA 1 23 VAL MG1 . . 3.350 2.393 2.355 2.415 . 0 0 "[ . 1 . 2]" 1
368 1 23 VAL HA 1 26 ALA H . . 4.050 3.616 3.463 3.761 . 0 0 "[ . 1 . 2]" 1
369 1 23 VAL HA 1 26 ALA MB . . 4.200 2.979 2.722 3.274 . 0 0 "[ . 1 . 2]" 1
370 1 23 VAL HA 1 27 SER H . . 4.690 4.115 3.584 4.555 . 0 0 "[ . 1 . 2]" 1
371 1 23 VAL HA 1 40 MET ME . . 3.380 2.254 1.953 2.670 . 0 0 "[ . 1 . 2]" 1
372 1 23 VAL HB 1 24 GLN H . . 3.340 2.515 2.400 2.624 . 0 0 "[ . 1 . 2]" 1
373 1 23 VAL MG1 1 24 GLN H . . 3.860 3.417 3.328 3.523 . 0 0 "[ . 1 . 2]" 1
374 1 23 VAL MG1 1 27 SER H . . 4.830 4.136 3.866 4.607 . 0 0 "[ . 1 . 2]" 1
375 1 23 VAL MG1 1 40 MET H . . 4.720 4.513 3.996 4.808 0.088 20 0 "[ . 1 . 2]" 1
376 1 23 VAL MG1 1 40 MET HB3 . . 3.590 2.441 2.176 2.871 . 0 0 "[ . 1 . 2]" 1
377 1 23 VAL MG1 1 41 GLY H . . 4.690 3.415 2.860 3.873 . 0 0 "[ . 1 . 2]" 1
378 1 23 VAL MG1 1 41 GLY HA2 . . 4.640 2.612 2.066 3.094 . 0 0 "[ . 1 . 2]" 1
379 1 23 VAL MG2 1 24 GLN H . . 4.330 3.763 3.709 3.814 . 0 0 "[ . 1 . 2]" 1
380 1 23 VAL MG2 1 40 MET H . . 5.500 5.235 4.791 5.517 0.017 2 0 "[ . 1 . 2]" 1
381 1 23 VAL MG2 1 40 MET HB3 . . 4.570 2.347 2.088 2.653 . 0 0 "[ . 1 . 2]" 1
382 1 23 VAL MG2 1 40 MET ME . . 3.350 2.409 2.147 2.713 . 0 0 "[ . 1 . 2]" 1
383 1 23 VAL MG2 1 40 MET HG3 . . 5.170 4.611 4.254 5.167 . 0 0 "[ . 1 . 2]" 1
384 1 23 VAL MG2 1 41 GLY HA2 . . 4.620 3.001 2.231 3.418 . 0 0 "[ . 1 . 2]" 1
385 1 23 VAL MG2 1 41 GLY HA3 . . 4.930 4.428 3.505 4.861 . 0 0 "[ . 1 . 2]" 1
386 1 23 VAL MG2 1 43 MET ME . . 3.290 2.454 2.157 2.846 . 0 0 "[ . 1 . 2]" 1
387 1 23 VAL MG2 1 44 ALA H . . 4.210 3.657 3.314 4.196 . 0 0 "[ . 1 . 2]" 1
388 1 23 VAL MG2 1 44 ALA MB . . 3.410 2.153 1.830 2.775 . 0 0 "[ . 1 . 2]" 1
389 1 24 GLN H 1 24 GLN QB . . 3.110 2.463 2.389 2.587 . 0 0 "[ . 1 . 2]" 1
390 1 24 GLN H 1 24 GLN QG . . 3.530 2.300 2.098 2.475 . 0 0 "[ . 1 . 2]" 1
391 1 24 GLN H 1 25 CYS H . . 3.450 2.591 2.546 2.652 . 0 0 "[ . 1 . 2]" 1
392 1 24 GLN H 1 26 ALA H . . 4.590 4.259 4.099 4.419 . 0 0 "[ . 1 . 2]" 1
393 1 24 GLN H 1 26 ALA MB . . 5.500 5.109 4.901 5.405 . 0 0 "[ . 1 . 2]" 1
394 1 24 GLN HA 1 24 GLN QG . . 3.980 3.417 3.328 3.481 . 0 0 "[ . 1 . 2]" 1
395 1 24 GLN HA 1 27 SER H . . 4.010 3.482 3.281 3.934 . 0 0 "[ . 1 . 2]" 1
396 1 24 GLN QB 1 25 CYS H . . 3.570 3.546 3.478 3.616 0.046 16 0 "[ . 1 . 2]" 1
397 1 24 GLN QG 1 25 CYS H . . 4.640 2.270 2.019 2.448 . 0 0 "[ . 1 . 2]" 1
398 1 24 GLN QG 1 25 CYS HA . . 4.400 3.790 3.179 4.311 . 0 0 "[ . 1 . 2]" 1
399 1 25 CYS H 1 25 CYS HB2 . . 3.880 2.586 2.467 2.675 . 0 0 "[ . 1 . 2]" 1
400 1 25 CYS H 1 25 CYS HB3 . . 3.200 2.493 2.413 2.587 . 0 0 "[ . 1 . 2]" 1
401 1 25 CYS H 1 26 ALA H . . 3.390 2.601 2.471 2.720 . 0 0 "[ . 1 . 2]" 1
402 1 25 CYS H 1 26 ALA MB . . 4.590 4.306 4.222 4.407 . 0 0 "[ . 1 . 2]" 1
403 1 25 CYS HB2 1 26 ALA H . . 4.680 3.832 3.728 3.924 . 0 0 "[ . 1 . 2]" 1
404 1 25 CYS HB3 1 26 ALA H . . 3.510 2.505 2.363 2.591 . 0 0 "[ . 1 . 2]" 1
405 1 26 ALA H 1 26 ALA MB . . 3.020 2.243 2.225 2.272 . 0 0 "[ . 1 . 2]" 1
406 1 26 ALA H 1 28 ARG H . . 4.560 4.050 3.855 4.441 . 0 0 "[ . 1 . 2]" 1
407 1 26 ALA H 1 40 MET ME . . 3.880 3.885 3.615 3.972 0.092 17 0 "[ . 1 . 2]" 1
408 1 26 ALA HA 1 29 SER H . . 3.990 3.489 3.008 3.708 . 0 0 "[ . 1 . 2]" 1
409 1 26 ALA HA 1 29 SER HA . . 4.460 4.514 4.367 4.614 0.154 8 0 "[ . 1 . 2]" 1
410 1 26 ALA HA 1 29 SER HG . . 4.640 2.802 2.021 3.167 . 0 0 "[ . 1 . 2]" 1
411 1 26 ALA HA 1 92 THR MG . . 3.900 2.625 2.270 3.055 . 0 0 "[ . 1 . 2]" 1
412 1 26 ALA MB 1 27 SER H . . 3.500 2.829 2.701 3.320 . 0 0 "[ . 1 . 2]" 1
413 1 26 ALA MB 1 27 SER QB . . 4.680 4.096 3.869 4.582 . 0 0 "[ . 1 . 2]" 1
414 1 26 ALA MB 1 29 SER H . . 5.160 4.501 4.342 4.678 . 0 0 "[ . 1 . 2]" 1
415 1 26 ALA MB 1 32 LEU QD . . 3.640 1.897 1.765 2.216 . 0 0 "[ . 1 . 2]" 1
416 1 26 ALA MB 1 40 MET ME . . 2.850 2.144 1.945 2.342 . 0 0 "[ . 1 . 2]" 1
417 1 26 ALA MB 1 40 MET HG2 . . 4.840 4.502 4.042 4.842 0.002 6 0 "[ . 1 . 2]" 1
418 1 26 ALA MB 1 93 ILE H . . 5.370 5.214 4.496 5.427 0.057 13 0 "[ . 1 . 2]" 1
419 1 26 ALA MB 1 93 ILE HA . . 5.090 4.028 3.311 4.206 . 0 0 "[ . 1 . 2]" 1
420 1 26 ALA MB 1 93 ILE MD . . 3.630 2.851 2.313 3.236 . 0 0 "[ . 1 . 2]" 1
421 1 27 SER H 1 27 SER QB . . 2.820 2.350 2.239 2.874 0.054 8 0 "[ . 1 . 2]" 1
422 1 27 SER H 1 28 ARG H . . 3.090 2.510 1.937 2.630 . 0 0 "[ . 1 . 2]" 1
423 1 27 SER H 1 28 ARG QG . . 4.650 4.231 3.900 4.898 0.248 8 0 "[ . 1 . 2]" 1
424 1 27 SER H 1 29 SER H . . 4.310 4.036 3.245 4.274 . 0 0 "[ . 1 . 2]" 1
425 1 27 SER HA 1 29 SER H . . 4.350 3.823 3.647 4.036 . 0 0 "[ . 1 . 2]" 1
426 1 27 SER HA 1 37 MET QB . . 4.030 2.891 1.933 3.928 . 0 0 "[ . 1 . 2]" 1
427 1 27 SER HA 1 37 MET QG . . 4.760 2.902 1.986 4.468 . 0 0 "[ . 1 . 2]" 1
428 1 27 SER QB 1 28 ARG H . . 3.570 3.020 2.604 3.582 0.012 8 0 "[ . 1 . 2]" 1
429 1 27 SER QB 1 28 ARG QB . . 4.160 4.240 3.974 4.311 0.151 2 0 "[ . 1 . 2]" 1
430 1 27 SER QB 1 37 MET QB . . 3.670 3.154 2.398 3.617 . 0 0 "[ . 1 . 2]" 1
431 1 28 ARG H 1 28 ARG QB . . 2.970 2.482 2.133 3.004 0.034 15 0 "[ . 1 . 2]" 1
432 1 28 ARG H 1 28 ARG QG . . 3.330 2.764 1.957 3.412 0.082 8 0 "[ . 1 . 2]" 1
433 1 28 ARG H 1 29 SER H . . 3.060 2.390 1.969 2.653 . 0 0 "[ . 1 . 2]" 1
434 1 28 ARG H 1 29 SER HA . . 4.450 4.489 4.348 4.569 0.119 15 0 "[ . 1 . 2]" 1
435 1 28 ARG HA 1 28 ARG HD2 . . 4.210 3.335 2.081 4.507 0.297 17 0 "[ . 1 . 2]" 1
436 1 28 ARG HA 1 28 ARG HD3 . . 4.110 3.234 1.926 4.337 0.227 15 0 "[ . 1 . 2]" 1
437 1 28 ARG HA 1 28 ARG QG . . 3.490 2.810 2.226 3.423 . 0 0 "[ . 1 . 2]" 1
438 1 28 ARG QB 1 28 ARG HD2 . . 3.900 2.650 2.226 3.393 . 0 0 "[ . 1 . 2]" 1
439 1 28 ARG QB 1 28 ARG HD3 . . 3.460 2.779 2.278 3.506 0.046 20 0 "[ . 1 . 2]" 1
440 1 28 ARG QB 1 29 SER H . . 3.770 3.636 3.298 3.951 0.181 15 0 "[ . 1 . 2]" 1
441 1 28 ARG QB 1 30 GLY H . . 5.500 5.139 4.883 5.529 0.029 7 0 "[ . 1 . 2]" 1
442 1 28 ARG QG 1 29 SER H . . 4.520 4.431 3.301 4.618 0.098 4 0 "[ . 1 . 2]" 1
443 1 29 SER H 1 29 SER QB . . 3.200 2.569 2.505 2.635 . 0 0 "[ . 1 . 2]" 1
444 1 29 SER H 1 29 SER HG . . 3.360 2.388 2.227 3.292 . 0 0 "[ . 1 . 2]" 1
445 1 29 SER H 1 31 VAL H . . 4.440 4.098 3.813 4.438 . 0 0 "[ . 1 . 2]" 1
446 1 29 SER H 1 92 THR MG . . 4.390 4.389 4.235 4.485 0.095 15 0 "[ . 1 . 2]" 1
447 1 29 SER HA 1 31 VAL QG . . 5.030 4.092 3.701 4.736 . 0 0 "[ . 1 . 2]" 1
448 1 29 SER QB 1 31 VAL HB . . 4.600 3.070 2.717 3.789 . 0 0 "[ . 1 . 2]" 1
449 1 29 SER QB 1 31 VAL QG . . 3.640 2.460 2.183 2.783 . 0 0 "[ . 1 . 2]" 1
450 1 29 SER HG 1 30 GLY H . . 3.860 2.979 2.700 3.428 . 0 0 "[ . 1 . 2]" 1
451 1 29 SER HG 1 31 VAL H . . 3.640 3.073 2.947 3.402 . 0 0 "[ . 1 . 2]" 1
452 1 29 SER HG 1 31 VAL QG . . 5.070 3.827 2.231 4.329 . 0 0 "[ . 1 . 2]" 1
453 1 29 SER HG 1 32 LEU H . . 4.960 2.897 2.598 3.534 . 0 0 "[ . 1 . 2]" 1
454 1 29 SER HG 1 92 THR MG . . 4.380 3.119 1.952 3.593 . 0 0 "[ . 1 . 2]" 1
455 1 30 GLY H 1 31 VAL H . . 3.120 2.336 2.175 2.576 . 0 0 "[ . 1 . 2]" 1
456 1 30 GLY H 1 31 VAL HB . . 4.680 4.740 4.701 4.818 0.138 14 0 "[ . 1 . 2]" 1
457 1 30 GLY H 1 31 VAL QG . . 4.420 3.996 3.696 4.259 . 0 0 "[ . 1 . 2]" 1
458 1 30 GLY H 1 32 LEU H . . 4.110 3.491 3.024 3.926 . 0 0 "[ . 1 . 2]" 1
459 1 30 GLY H 1 32 LEU QD . . 5.370 4.603 3.919 5.176 . 0 0 "[ . 1 . 2]" 1
460 1 31 VAL H 1 31 VAL HB . . 3.370 2.573 2.463 2.698 . 0 0 "[ . 1 . 2]" 1
461 1 31 VAL H 1 31 VAL QG . . 3.250 2.376 2.208 2.612 . 0 0 "[ . 1 . 2]" 1
462 1 31 VAL H 1 32 LEU H . . 2.980 2.168 2.020 2.434 . 0 0 "[ . 1 . 2]" 1
463 1 31 VAL H 1 32 LEU QB . . 4.840 4.200 3.942 4.352 . 0 0 "[ . 1 . 2]" 1
464 1 31 VAL H 1 32 LEU QD . . 4.460 3.793 3.242 4.395 . 0 0 "[ . 1 . 2]" 1
465 1 31 VAL H 1 92 THR MG . . 5.000 4.392 3.907 4.713 . 0 0 "[ . 1 . 2]" 1
466 1 31 VAL HA 1 31 VAL QG . . 3.140 2.151 2.129 2.221 . 0 0 "[ . 1 . 2]" 1
467 1 31 VAL HB 1 32 LEU H . . 3.990 2.828 2.115 3.962 . 0 0 "[ . 1 . 2]" 1
468 1 31 VAL HB 1 89 VAL MG2 . . 4.560 4.014 3.406 4.751 0.191 7 0 "[ . 1 . 2]" 1
469 1 31 VAL HB 1 92 THR MG . . 3.890 3.646 2.983 3.980 0.090 14 0 "[ . 1 . 2]" 1
470 1 31 VAL QG 1 32 LEU H . . 3.830 3.027 2.263 3.294 . 0 0 "[ . 1 . 2]" 1
471 1 31 VAL QG 1 88 ALA H . . 5.110 4.266 3.943 4.700 . 0 0 "[ . 1 . 2]" 1
472 1 31 VAL QG 1 88 ALA HA . . 4.370 3.739 3.580 4.133 . 0 0 "[ . 1 . 2]" 1
473 1 31 VAL QG 1 88 ALA MB . . 3.320 2.096 1.845 2.653 . 0 0 "[ . 1 . 2]" 1
474 1 31 VAL QG 1 89 VAL H . . 4.120 3.312 3.049 3.703 . 0 0 "[ . 1 . 2]" 1
475 1 31 VAL QG 1 92 THR H . . 4.630 4.184 3.676 4.579 . 0 0 "[ . 1 . 2]" 1
476 1 31 VAL QG 1 92 THR HG1 . . 4.450 2.653 2.118 3.029 . 0 0 "[ . 1 . 2]" 1
477 1 31 VAL QG 1 92 THR MG . . 3.550 3.204 2.239 3.543 . 0 0 "[ . 1 . 2]" 1
478 1 32 LEU H 1 32 LEU QB . . 3.230 2.398 2.197 2.568 . 0 0 "[ . 1 . 2]" 1
479 1 32 LEU H 1 32 LEU QD . . 3.570 2.519 1.851 3.050 . 0 0 "[ . 1 . 2]" 1
480 1 32 LEU H 1 32 LEU HG . . 4.090 3.120 2.214 4.044 . 0 0 "[ . 1 . 2]" 1
481 1 32 LEU H 1 33 THR H . . 4.600 4.569 4.509 4.640 0.040 18 0 "[ . 1 . 2]" 1
482 1 32 LEU HA 1 32 LEU QD . . 3.610 2.468 1.997 2.963 . 0 0 "[ . 1 . 2]" 1
483 1 32 LEU HA 1 32 LEU HG . . 3.620 2.831 2.376 3.392 . 0 0 "[ . 1 . 2]" 1
484 1 32 LEU HA 1 33 THR H . . 3.210 2.397 2.188 2.602 . 0 0 "[ . 1 . 2]" 1
485 1 32 LEU HA 1 89 VAL MG2 . . 4.320 3.497 2.996 4.031 . 0 0 "[ . 1 . 2]" 1
486 1 32 LEU QB 1 37 MET ME . . 4.340 3.246 2.438 4.000 . 0 0 "[ . 1 . 2]" 1
487 1 32 LEU QB 1 37 MET QG . . 4.520 2.924 1.880 4.432 . 0 0 "[ . 1 . 2]" 1
488 1 32 LEU QD 1 33 THR H . . 4.230 3.649 3.265 4.050 . 0 0 "[ . 1 . 2]" 1
489 1 32 LEU QD 1 33 THR MG . . 5.180 4.483 4.034 4.973 . 0 0 "[ . 1 . 2]" 1
490 1 32 LEU QD 1 36 GLN H . . 5.120 4.925 4.733 5.149 0.029 9 0 "[ . 1 . 2]" 1
491 1 32 LEU QD 1 36 GLN HB3 . . 3.500 2.692 2.030 3.363 . 0 0 "[ . 1 . 2]" 1
492 1 32 LEU QD 1 36 GLN QE . . 5.030 3.433 2.430 4.470 . 0 0 "[ . 1 . 2]" 1
493 1 32 LEU QD 1 37 MET H . . 4.720 4.000 3.444 4.630 . 0 0 "[ . 1 . 2]" 1
494 1 32 LEU QD 1 37 MET HA . . 4.150 3.157 2.387 3.920 . 0 0 "[ . 1 . 2]" 1
495 1 32 LEU QD 1 37 MET ME . . 4.930 4.158 3.421 4.854 . 0 0 "[ . 1 . 2]" 1
496 1 32 LEU QD 1 37 MET QG . . 5.280 3.329 2.105 4.791 . 0 0 "[ . 1 . 2]" 1
497 1 32 LEU QD 1 40 MET ME . . 4.170 3.294 2.868 3.527 . 0 0 "[ . 1 . 2]" 1
498 1 32 LEU QD 1 40 MET HG2 . . 4.450 3.552 2.671 4.443 . 0 0 "[ . 1 . 2]" 1
499 1 32 LEU QD 1 40 MET HG3 . . 4.700 2.989 2.290 3.825 . 0 0 "[ . 1 . 2]" 1
500 1 32 LEU QD 1 89 VAL HA . . 4.440 2.964 2.524 3.418 . 0 0 "[ . 1 . 2]" 1
501 1 32 LEU QD 1 89 VAL MG2 . . 3.980 2.517 2.085 3.337 . 0 0 "[ . 1 . 2]" 1
502 1 32 LEU QD 1 92 THR MG . . 3.720 2.864 2.419 3.377 . 0 0 "[ . 1 . 2]" 1
503 1 32 LEU QD 1 93 ILE H . . 4.560 4.480 4.338 4.578 0.018 7 0 "[ . 1 . 2]" 1
504 1 32 LEU QD 1 93 ILE MD . . 2.940 2.668 2.324 2.900 . 0 0 "[ . 1 . 2]" 1
505 1 32 LEU HG 1 33 THR H . . 4.690 4.295 3.592 4.837 0.147 6 0 "[ . 1 . 2]" 1
506 1 32 LEU HG 1 89 VAL MG2 . . 4.920 3.760 2.572 4.589 . 0 0 "[ . 1 . 2]" 1
507 1 33 THR H 1 33 THR MG . . 3.170 2.154 1.849 2.508 . 0 0 "[ . 1 . 2]" 1
508 1 33 THR H 1 34 ALA H . . 4.950 4.550 4.463 4.613 . 0 0 "[ . 1 . 2]" 1
509 1 33 THR H 1 35 ASP H . . 4.760 4.780 4.661 4.834 0.074 5 0 "[ . 1 . 2]" 1
510 1 33 THR H 1 36 GLN H . . 4.260 3.493 3.306 4.044 . 0 0 "[ . 1 . 2]" 1
511 1 33 THR H 1 36 GLN HA . . 5.030 4.964 4.733 5.140 0.110 3 0 "[ . 1 . 2]" 1
512 1 33 THR H 1 36 GLN HB2 . . 4.020 2.380 1.814 3.002 . 0 0 "[ . 1 . 2]" 1
513 1 33 THR H 1 36 GLN HB3 . . 3.780 2.960 2.042 3.791 0.011 3 0 "[ . 1 . 2]" 1
514 1 33 THR H 1 36 GLN HG2 . . 4.430 4.292 3.898 4.553 0.123 10 0 "[ . 1 . 2]" 1
515 1 33 THR H 1 36 GLN HG3 . . 4.610 3.937 3.117 4.715 0.105 18 0 "[ . 1 . 2]" 1
516 1 33 THR H 1 37 MET H . . 4.950 4.103 3.815 4.966 0.016 17 0 "[ . 1 . 2]" 1
517 1 33 THR HA 1 33 THR MG . . 3.340 2.705 2.373 3.222 . 0 0 "[ . 1 . 2]" 1
518 1 33 THR HA 1 34 ALA H . . 3.030 2.455 2.409 2.514 . 0 0 "[ . 1 . 2]" 1
519 1 33 THR HA 1 34 ALA HA . . 4.310 4.312 4.257 4.343 0.033 5 0 "[ . 1 . 2]" 1
520 1 33 THR HA 1 34 ALA MB . . 4.690 4.184 4.158 4.241 . 0 0 "[ . 1 . 2]" 1
521 1 33 THR HA 1 37 MET ME . . 4.490 3.475 2.910 3.895 . 0 0 "[ . 1 . 2]" 1
522 1 33 THR HB 1 34 ALA H . . 3.740 2.838 2.239 3.749 0.009 15 0 "[ . 1 . 2]" 1
523 1 33 THR HB 1 35 ASP H . . 4.260 3.322 2.629 4.389 0.129 16 0 "[ . 1 . 2]" 1
524 1 33 THR MG 1 34 ALA H . . 3.920 3.634 3.171 3.898 . 0 0 "[ . 1 . 2]" 1
525 1 33 THR MG 1 35 ASP H . . 4.100 3.495 2.044 4.186 0.086 19 0 "[ . 1 . 2]" 1
526 1 33 THR MG 1 35 ASP HB2 . . 4.580 3.818 2.087 5.213 0.633 12 2 "[ . 1 +- . 2]" 1
527 1 33 THR MG 1 36 GLN H . . 4.680 3.161 1.754 3.956 . 0 0 "[ . 1 . 2]" 1
528 1 33 THR MG 1 36 GLN HB2 . . 3.280 3.082 1.974 3.589 0.309 4 0 "[ . 1 . 2]" 1
529 1 34 ALA H 1 34 ALA MB . . 3.070 2.237 2.219 2.247 . 0 0 "[ . 1 . 2]" 1
530 1 34 ALA H 1 35 ASP H . . 3.280 2.603 2.463 2.715 . 0 0 "[ . 1 . 2]" 1
531 1 34 ALA H 1 36 GLN H . . 4.940 4.240 3.998 4.443 . 0 0 "[ . 1 . 2]" 1
532 1 34 ALA HA 1 37 MET H . . 4.150 3.610 3.261 3.825 . 0 0 "[ . 1 . 2]" 1
533 1 34 ALA HA 1 37 MET ME . . 2.920 2.348 1.837 2.940 0.020 5 0 "[ . 1 . 2]" 1
534 1 34 ALA HA 1 37 MET QG . . 4.550 2.990 1.930 3.900 . 0 0 "[ . 1 . 2]" 1
535 1 34 ALA MB 1 35 ASP H . . 3.290 2.742 2.640 2.853 . 0 0 "[ . 1 . 2]" 1
536 1 34 ALA MB 1 37 MET H . . 4.920 4.748 4.408 4.954 0.034 14 0 "[ . 1 . 2]" 1
537 1 34 ALA MB 1 37 MET ME . . 4.360 3.366 2.976 3.755 . 0 0 "[ . 1 . 2]" 1
538 1 34 ALA MB 1 38 ASP H . . 5.500 5.003 4.621 5.350 . 0 0 "[ . 1 . 2]" 1
539 1 35 ASP H 1 35 ASP HB2 . . 3.090 2.579 2.344 2.892 . 0 0 "[ . 1 . 2]" 1
540 1 35 ASP H 1 35 ASP HB3 . . 3.650 3.311 2.367 3.622 . 0 0 "[ . 1 . 2]" 1
541 1 35 ASP H 1 36 GLN H . . 3.100 2.552 2.378 2.740 . 0 0 "[ . 1 . 2]" 1
542 1 35 ASP HA 1 37 MET H . . 4.800 4.401 3.808 4.669 . 0 0 "[ . 1 . 2]" 1
543 1 35 ASP HA 1 38 ASP H . . 3.760 3.647 3.122 3.838 0.078 18 0 "[ . 1 . 2]" 1
544 1 35 ASP HA 1 38 ASP QB . . 3.760 3.042 2.346 3.462 . 0 0 "[ . 1 . 2]" 1
545 1 35 ASP HB2 1 36 GLN H . . 4.680 2.853 2.202 4.006 . 0 0 "[ . 1 . 2]" 1
546 1 36 GLN H 1 36 GLN HB2 . . 3.880 2.362 2.208 3.094 . 0 0 "[ . 1 . 2]" 1
547 1 36 GLN H 1 36 GLN HG3 . . 5.130 3.292 2.345 4.731 . 0 0 "[ . 1 . 2]" 1
548 1 36 GLN H 1 37 MET H . . 3.370 2.638 1.798 2.870 . 0 0 "[ . 1 . 2]" 1
549 1 36 GLN H 1 38 ASP H . . 4.380 4.040 2.861 4.386 0.006 6 0 "[ . 1 . 2]" 1
550 1 36 GLN H 1 39 ASP H . . 5.090 4.837 4.318 5.142 0.052 4 0 "[ . 1 . 2]" 1
551 1 36 GLN HA 1 39 ASP H . . 3.880 3.493 3.219 3.743 . 0 0 "[ . 1 . 2]" 1
552 1 36 GLN HA 1 39 ASP HB2 . . 4.260 3.113 2.344 4.897 0.637 17 1 "[ . 1 . + 2]" 1
553 1 36 GLN HB2 1 37 MET H . . 3.940 3.224 2.616 4.188 0.248 17 0 "[ . 1 . 2]" 1
554 1 36 GLN HB3 1 37 MET H . . 4.120 3.203 2.508 3.798 . 0 0 "[ . 1 . 2]" 1
555 1 36 GLN QE 1 77 VAL QG . . 5.230 3.456 2.466 4.797 . 0 0 "[ . 1 . 2]" 1
556 1 36 GLN QE 1 80 THR HB . . 4.780 2.909 1.848 4.157 . 0 0 "[ . 1 . 2]" 1
557 1 36 GLN QE 1 81 SER H . . 4.100 3.687 3.082 4.034 . 0 0 "[ . 1 . 2]" 1
558 1 36 GLN QE 1 81 SER HA . . 3.880 3.282 2.177 3.881 0.001 18 0 "[ . 1 . 2]" 1
559 1 36 GLN QE 1 81 SER HG . . 4.990 2.331 1.808 2.791 . 0 0 "[ . 1 . 2]" 1
560 1 36 GLN QE 1 89 VAL MG1 . . 4.480 3.079 2.021 4.204 . 0 0 "[ . 1 . 2]" 1
561 1 36 GLN QE 1 89 VAL MG2 . . 4.310 2.949 2.247 3.761 . 0 0 "[ . 1 . 2]" 1
562 1 36 GLN HG2 1 77 VAL QG . . 5.310 2.990 2.218 3.679 . 0 0 "[ . 1 . 2]" 1
563 1 37 MET H 1 37 MET QB . . 3.300 2.466 2.383 2.549 . 0 0 "[ . 1 . 2]" 1
564 1 37 MET H 1 37 MET ME . . 4.080 3.636 3.280 4.103 0.023 10 0 "[ . 1 . 2]" 1
565 1 37 MET H 1 37 MET QG . . 3.850 2.242 1.981 2.808 . 0 0 "[ . 1 . 2]" 1
566 1 37 MET H 1 38 ASP H . . 3.280 2.559 2.065 2.725 . 0 0 "[ . 1 . 2]" 1
567 1 37 MET H 1 38 ASP HA . . 5.310 5.167 4.661 5.319 0.009 12 0 "[ . 1 . 2]" 1
568 1 37 MET H 1 38 ASP QB . . 5.230 4.353 3.744 4.565 . 0 0 "[ . 1 . 2]" 1
569 1 37 MET HA 1 40 MET H . . 3.780 3.471 3.221 3.766 . 0 0 "[ . 1 . 2]" 1
570 1 37 MET HA 1 40 MET ME . . 4.580 4.585 4.360 4.693 0.113 6 0 "[ . 1 . 2]" 1
571 1 37 MET HA 1 40 MET HG3 . . 4.050 2.851 2.392 3.342 . 0 0 "[ . 1 . 2]" 1
572 1 37 MET QB 1 37 MET ME . . 3.200 2.454 1.952 3.510 0.310 3 0 "[ . 1 . 2]" 1
573 1 37 MET QB 1 38 ASP H . . 3.920 3.055 2.601 3.723 . 0 0 "[ . 1 . 2]" 1
574 1 37 MET QB 1 39 ASP H . . 5.400 4.948 4.635 5.258 . 0 0 "[ . 1 . 2]" 1
575 1 37 MET QB 1 40 MET H . . 5.190 4.856 4.716 5.104 . 0 0 "[ . 1 . 2]" 1
576 1 38 ASP H 1 38 ASP QB . . 3.150 2.288 2.191 2.345 . 0 0 "[ . 1 . 2]" 1
577 1 38 ASP HA 1 41 GLY H . . 4.490 3.248 3.027 3.524 . 0 0 "[ . 1 . 2]" 1
578 1 38 ASP HA 1 41 GLY HA3 . . 4.280 3.900 3.408 4.399 0.119 15 0 "[ . 1 . 2]" 1
579 1 38 ASP QB 1 39 ASP H . . 3.490 2.618 2.376 2.738 . 0 0 "[ . 1 . 2]" 1
580 1 38 ASP QB 1 39 ASP HA . . 4.310 4.141 3.882 4.223 . 0 0 "[ . 1 . 2]" 1
581 1 38 ASP QB 1 42 MET ME . . 4.730 3.884 3.315 4.589 . 0 0 "[ . 1 . 2]" 1
582 1 39 ASP H 1 39 ASP HB2 . . 3.420 2.459 2.207 3.605 0.185 17 0 "[ . 1 . 2]" 1
583 1 39 ASP H 1 39 ASP HB3 . . 3.690 3.361 2.623 3.617 . 0 0 "[ . 1 . 2]" 1
584 1 39 ASP H 1 40 MET H . . 3.470 2.626 2.548 2.726 . 0 0 "[ . 1 . 2]" 1
585 1 39 ASP H 1 42 MET ME . . 4.810 3.961 3.413 4.437 . 0 0 "[ . 1 . 2]" 1
586 1 39 ASP H 1 77 VAL QG . . 4.600 4.043 3.650 4.443 . 0 0 "[ . 1 . 2]" 1
587 1 39 ASP HA 1 42 MET H . . 4.370 3.302 3.017 3.656 . 0 0 "[ . 1 . 2]" 1
588 1 39 ASP HA 1 42 MET ME . . 3.900 2.148 1.890 2.526 . 0 0 "[ . 1 . 2]" 1
589 1 39 ASP HA 1 42 MET HG2 . . 4.380 2.597 1.914 4.442 0.062 5 0 "[ . 1 . 2]" 1
590 1 39 ASP HA 1 42 MET HG3 . . 4.050 3.452 2.662 4.052 0.002 14 0 "[ . 1 . 2]" 1
591 1 39 ASP HB2 1 40 MET H . . 4.580 3.078 2.362 3.927 . 0 0 "[ . 1 . 2]" 1
592 1 39 ASP HB2 1 77 VAL QG . . 4.490 2.513 1.999 3.752 . 0 0 "[ . 1 . 2]" 1
593 1 39 ASP HB3 1 42 MET ME . . 4.360 4.145 3.246 4.897 0.537 1 1 "[+ . 1 . 2]" 1
594 1 39 ASP HB3 1 77 VAL QG . . 4.490 2.396 1.856 3.608 . 0 0 "[ . 1 . 2]" 1
595 1 40 MET H 1 40 MET HB2 . . 3.860 2.443 2.303 2.546 . 0 0 "[ . 1 . 2]" 1
596 1 40 MET H 1 40 MET HB3 . . 3.380 3.588 3.556 3.609 0.229 16 0 "[ . 1 . 2]" 1
597 1 40 MET H 1 40 MET ME . . 4.850 4.737 4.590 4.832 . 0 0 "[ . 1 . 2]" 1
598 1 40 MET H 1 40 MET HG2 . . 4.390 2.663 2.068 3.554 . 0 0 "[ . 1 . 2]" 1
599 1 40 MET H 1 40 MET HG3 . . 4.010 3.202 2.255 3.687 . 0 0 "[ . 1 . 2]" 1
600 1 40 MET H 1 41 GLY H . . 3.600 2.659 2.528 2.810 . 0 0 "[ . 1 . 2]" 1
601 1 40 MET H 1 41 GLY HA3 . . 4.950 4.945 4.802 5.106 0.156 2 0 "[ . 1 . 2]" 1
602 1 40 MET H 1 42 MET H . . 4.610 4.338 3.955 4.588 . 0 0 "[ . 1 . 2]" 1
603 1 40 MET H 1 77 VAL QG . . 4.650 3.190 2.862 3.560 . 0 0 "[ . 1 . 2]" 1
604 1 40 MET HA 1 40 MET ME . . 4.230 3.494 3.112 3.881 . 0 0 "[ . 1 . 2]" 1
605 1 40 MET HA 1 43 MET H . . 4.000 3.482 3.164 3.947 . 0 0 "[ . 1 . 2]" 1
606 1 40 MET HA 1 43 MET ME . . 3.410 2.643 2.106 2.969 . 0 0 "[ . 1 . 2]" 1
607 1 40 MET HA 1 77 VAL QG . . 4.280 3.099 2.381 4.108 . 0 0 "[ . 1 . 2]" 1
608 1 40 MET HB2 1 41 GLY H . . 4.470 2.765 2.515 2.991 . 0 0 "[ . 1 . 2]" 1
609 1 40 MET HB3 1 41 GLY H . . 3.960 3.685 3.428 3.903 . 0 0 "[ . 1 . 2]" 1
610 1 40 MET ME 1 40 MET HG2 . . 3.080 3.121 2.465 3.407 0.327 4 0 "[ . 1 . 2]" 1
611 1 40 MET ME 1 40 MET HG3 . . 3.780 2.733 2.420 3.407 . 0 0 "[ . 1 . 2]" 1
612 1 40 MET ME 1 43 MET ME . . 3.130 2.473 2.033 2.946 . 0 0 "[ . 1 . 2]" 1
613 1 40 MET HG2 1 77 VAL QG . . 3.800 2.385 1.842 3.053 . 0 0 "[ . 1 . 2]" 1
614 1 40 MET HG3 1 41 GLY H . . 5.210 4.807 4.285 5.092 . 0 0 "[ . 1 . 2]" 1
615 1 40 MET HG3 1 77 VAL QG . . 4.170 3.191 2.140 4.084 . 0 0 "[ . 1 . 2]" 1
616 1 41 GLY H 1 42 MET H . . 3.660 2.686 2.510 2.802 . 0 0 "[ . 1 . 2]" 1
617 1 41 GLY H 1 42 MET HG2 . . 5.200 4.446 4.015 5.765 0.565 5 1 "[ + 1 . 2]" 1
618 1 41 GLY H 1 44 ALA MB . . 5.310 5.009 4.625 5.309 . 0 0 "[ . 1 . 2]" 1
619 1 41 GLY HA2 1 43 MET H . . 4.020 4.252 4.117 4.391 0.371 13 0 "[ . 1 . 2]" 1
620 1 41 GLY HA3 1 44 ALA MB . . 5.020 4.341 3.792 4.628 . 0 0 "[ . 1 . 2]" 1
621 1 42 MET H 1 42 MET HB2 . . 3.630 3.393 2.432 3.639 0.009 16 0 "[ . 1 . 2]" 1
622 1 42 MET H 1 42 MET HB3 . . 3.450 2.774 2.509 3.622 0.172 12 0 "[ . 1 . 2]" 1
623 1 42 MET H 1 42 MET ME . . 4.450 3.451 3.121 3.930 . 0 0 "[ . 1 . 2]" 1
624 1 42 MET H 1 42 MET HG2 . . 3.710 2.418 2.068 3.522 . 0 0 "[ . 1 . 2]" 1
625 1 42 MET H 1 42 MET HG3 . . 3.680 3.213 2.255 3.501 . 0 0 "[ . 1 . 2]" 1
626 1 42 MET H 1 43 MET H . . 3.560 2.517 2.360 2.654 . 0 0 "[ . 1 . 2]" 1
627 1 42 MET HA 1 42 MET HG2 . . 3.710 3.483 2.347 3.792 0.082 19 0 "[ . 1 . 2]" 1
628 1 42 MET HA 1 42 MET HG3 . . 3.740 3.632 3.196 3.776 0.036 9 0 "[ . 1 . 2]" 1
629 1 42 MET HA 1 45 ASP H . . 4.050 3.261 2.891 3.658 . 0 0 "[ . 1 . 2]" 1
630 1 42 MET HA 1 45 ASP QB . . 3.220 2.637 1.995 3.259 0.039 13 0 "[ . 1 . 2]" 1
631 1 42 MET HB2 1 42 MET HG2 . . 2.760 3.001 2.989 3.006 0.246 14 0 "[ . 1 . 2]" 1
632 1 42 MET HB2 1 43 MET H . . 4.330 3.802 2.662 4.128 . 0 0 "[ . 1 . 2]" 1
633 1 42 MET HB2 1 45 ASP QB . . 4.700 4.063 3.361 5.286 0.586 2 2 "[ + . 1 - . 2]" 1
634 1 42 MET HB3 1 42 MET ME . . 2.400 2.189 1.972 2.914 0.514 5 1 "[ + 1 . 2]" 1
635 1 42 MET HB3 1 43 MET H . . 4.250 4.006 3.694 4.162 . 0 0 "[ . 1 . 2]" 1
636 1 42 MET ME 1 42 MET HG2 . . 3.940 2.662 2.454 3.408 . 0 0 "[ . 1 . 2]" 1
637 1 42 MET ME 1 42 MET HG3 . . 3.350 3.223 2.470 3.407 0.057 20 0 "[ . 1 . 2]" 1
638 1 42 MET HG3 1 43 MET H . . 4.700 3.133 2.573 4.531 . 0 0 "[ . 1 . 2]" 1
639 1 43 MET H 1 43 MET HB2 . . 3.550 2.879 2.534 3.631 0.081 2 0 "[ . 1 . 2]" 1
640 1 43 MET H 1 43 MET HB3 . . 3.490 2.464 2.274 2.705 . 0 0 "[ . 1 . 2]" 1
641 1 43 MET H 1 43 MET ME . . 3.930 3.959 3.839 4.092 0.162 4 0 "[ . 1 . 2]" 1
642 1 43 MET H 1 43 MET QG . . 4.680 3.496 2.048 4.045 . 0 0 "[ . 1 . 2]" 1
643 1 43 MET H 1 44 ALA MB . . 5.400 4.253 4.054 4.451 . 0 0 "[ . 1 . 2]" 1
644 1 43 MET HA 1 43 MET ME . . 5.130 4.571 4.268 5.211 0.081 12 0 "[ . 1 . 2]" 1
645 1 43 MET HA 1 47 VAL QG . . 4.990 4.106 3.830 4.431 . 0 0 "[ . 1 . 2]" 1
646 1 43 MET HB2 1 44 ALA H . . 3.690 3.887 3.722 4.138 0.448 4 0 "[ . 1 . 2]" 1
647 1 43 MET HB2 1 73 GLU HB3 . . 3.720 3.257 1.914 3.936 0.216 9 0 "[ . 1 . 2]" 1
648 1 43 MET HB3 1 44 ALA H . . 4.270 2.910 2.286 4.059 . 0 0 "[ . 1 . 2]" 1
649 1 43 MET ME 1 43 MET QG . . 3.560 2.359 2.090 2.470 . 0 0 "[ . 1 . 2]" 1
650 1 43 MET ME 1 44 ALA H . . 3.410 2.999 2.498 3.488 0.078 12 0 "[ . 1 . 2]" 1
651 1 43 MET ME 1 44 ALA HA . . 4.210 3.527 3.281 4.053 . 0 0 "[ . 1 . 2]" 1
652 1 43 MET ME 1 44 ALA MB . . 3.790 2.938 2.245 3.403 . 0 0 "[ . 1 . 2]" 1
653 1 43 MET ME 1 74 VAL H . . 5.010 4.852 4.610 5.061 0.051 1 0 "[ . 1 . 2]" 1
654 1 43 MET ME 1 74 VAL HA . . 4.620 3.692 3.085 4.351 . 0 0 "[ . 1 . 2]" 1
655 1 43 MET ME 1 74 VAL QG . . 3.090 2.197 1.895 2.615 . 0 0 "[ . 1 . 2]" 1
656 1 43 MET QG 1 47 VAL QG . . 4.690 3.343 2.534 4.199 . 0 0 "[ . 1 . 2]" 1
657 1 43 MET QG 1 73 GLU HB3 . . 3.170 2.468 1.859 3.542 0.372 4 0 "[ . 1 . 2]" 1
658 1 44 ALA H 1 44 ALA MB . . 3.030 2.235 2.227 2.256 . 0 0 "[ . 1 . 2]" 1
659 1 44 ALA H 1 45 ASP H . . 3.750 2.652 2.542 2.738 . 0 0 "[ . 1 . 2]" 1
660 1 44 ALA H 1 45 ASP QB . . 4.620 4.417 4.277 4.604 . 0 0 "[ . 1 . 2]" 1
661 1 44 ALA H 1 47 VAL QG . . 5.390 4.060 3.701 4.395 . 0 0 "[ . 1 . 2]" 1
662 1 44 ALA HA 1 47 VAL H . . 4.830 3.230 3.015 3.407 . 0 0 "[ . 1 . 2]" 1
663 1 44 ALA HA 1 47 VAL HB . . 3.850 2.825 2.584 4.193 0.343 20 0 "[ . 1 . 2]" 1
664 1 44 ALA HA 1 47 VAL QG . . 4.300 2.354 1.708 2.848 . 0 0 "[ . 1 . 2]" 1
665 1 44 ALA HA 1 48 ASN H . . 4.610 4.245 3.940 4.494 . 0 0 "[ . 1 . 2]" 1
666 1 44 ALA MB 1 45 ASP H . . 3.490 2.662 2.513 3.193 . 0 0 "[ . 1 . 2]" 1
667 1 44 ALA MB 1 45 ASP QB . . 5.050 4.028 3.871 4.433 . 0 0 "[ . 1 . 2]" 1
668 1 44 ALA MB 1 47 VAL H . . 5.330 4.435 4.309 4.704 . 0 0 "[ . 1 . 2]" 1
669 1 44 ALA MB 1 47 VAL QG . . 4.090 3.536 2.813 3.941 . 0 0 "[ . 1 . 2]" 1
670 1 44 ALA MB 1 48 ASN HD21 . . 5.170 3.743 3.127 4.371 . 0 0 "[ . 1 . 2]" 1
671 1 44 ALA MB 1 48 ASN HD22 . . 5.160 4.089 3.218 4.728 . 0 0 "[ . 1 . 2]" 1
672 1 45 ASP H 1 45 ASP QB . . 3.120 2.273 2.227 2.401 . 0 0 "[ . 1 . 2]" 1
673 1 45 ASP H 1 46 SER H . . 3.590 2.663 2.309 2.873 . 0 0 "[ . 1 . 2]" 1
674 1 45 ASP H 1 46 SER QB . . 5.110 4.421 4.120 4.759 . 0 0 "[ . 1 . 2]" 1
675 1 45 ASP HA 1 48 ASN HD21 . . 4.420 3.129 2.384 3.829 . 0 0 "[ . 1 . 2]" 1
676 1 45 ASP HA 1 48 ASN HD22 . . 4.030 2.128 1.763 3.828 . 0 0 "[ . 1 . 2]" 1
677 1 45 ASP QB 1 46 SER H . . 3.630 2.577 2.399 3.034 . 0 0 "[ . 1 . 2]" 1
678 1 45 ASP QB 1 46 SER HA . . 4.310 4.146 3.817 4.354 0.044 17 0 "[ . 1 . 2]" 1
679 1 46 SER H 1 46 SER QB . . 2.860 2.264 2.209 2.489 . 0 0 "[ . 1 . 2]" 1
680 1 46 SER H 1 47 VAL H . . 3.410 2.570 2.199 2.771 . 0 0 "[ . 1 . 2]" 1
681 1 46 SER H 1 47 VAL QG . . 4.770 3.809 3.324 4.046 . 0 0 "[ . 1 . 2]" 1
682 1 46 SER H 1 50 GLN QE . . 5.140 5.086 4.760 5.187 0.047 10 0 "[ . 1 . 2]" 1
683 1 46 SER QB 1 47 VAL H . . 3.750 2.675 2.384 2.832 . 0 0 "[ . 1 . 2]" 1
684 1 46 SER QB 1 47 VAL QG . . 4.360 3.219 2.912 3.406 . 0 0 "[ . 1 . 2]" 1
685 1 46 SER QB 1 50 GLN QE . . 4.940 3.200 2.668 3.588 . 0 0 "[ . 1 . 2]" 1
686 1 47 VAL H 1 47 VAL HB . . 3.590 2.627 2.534 3.605 0.015 20 0 "[ . 1 . 2]" 1
687 1 47 VAL H 1 47 VAL QG . . 3.520 2.035 1.770 2.125 . 0 0 "[ . 1 . 2]" 1
688 1 47 VAL H 1 48 ASN H . . 3.610 2.829 2.645 2.915 . 0 0 "[ . 1 . 2]" 1
689 1 47 VAL HA 1 49 SER H . . 4.880 4.399 4.235 4.546 . 0 0 "[ . 1 . 2]" 1
690 1 47 VAL HA 1 50 GLN H . . 4.040 3.701 3.305 3.969 . 0 0 "[ . 1 . 2]" 1
691 1 47 VAL HA 1 50 GLN QB . . 4.640 3.298 2.477 4.616 . 0 0 "[ . 1 . 2]" 1
692 1 47 VAL HA 1 50 GLN QE . . 4.450 2.917 1.866 3.624 . 0 0 "[ . 1 . 2]" 1
693 1 47 VAL HA 1 66 MET ME . . 3.720 3.325 2.748 3.741 0.021 6 0 "[ . 1 . 2]" 1
694 1 47 VAL HB 1 48 ASN H . . 3.530 2.513 2.299 3.445 . 0 0 "[ . 1 . 2]" 1
695 1 47 VAL QG 1 48 ASN H . . 3.840 3.048 1.904 3.248 . 0 0 "[ . 1 . 2]" 1
696 1 47 VAL QG 1 48 ASN HA . . 4.200 3.258 3.117 3.608 . 0 0 "[ . 1 . 2]" 1
697 1 47 VAL QG 1 50 GLN QE . . 4.940 3.565 2.744 4.029 . 0 0 "[ . 1 . 2]" 1
698 1 47 VAL QG 1 51 MET ME . . 3.940 3.578 2.995 4.000 0.060 20 0 "[ . 1 . 2]" 1
699 1 47 VAL QG 1 66 MET ME . . 3.180 2.893 2.278 3.264 0.084 16 0 "[ . 1 . 2]" 1
700 1 47 VAL QG 1 70 MET HA . . 3.740 2.958 2.383 3.518 . 0 0 "[ . 1 . 2]" 1
701 1 47 VAL QG 1 70 MET HG2 . . 4.240 3.294 1.962 4.333 0.093 1 0 "[ . 1 . 2]" 1
702 1 47 VAL QG 1 70 MET HG3 . . 4.300 2.504 1.937 4.437 0.137 6 0 "[ . 1 . 2]" 1
703 1 48 ASN H 1 48 ASN HB2 . . 3.470 3.486 2.213 3.650 0.180 8 0 "[ . 1 . 2]" 1
704 1 48 ASN H 1 48 ASN HB3 . . 3.380 2.831 2.648 3.557 0.177 3 0 "[ . 1 . 2]" 1
705 1 48 ASN H 1 48 ASN HD21 . . 5.230 2.836 2.319 3.692 . 0 0 "[ . 1 . 2]" 1
706 1 48 ASN H 1 48 ASN HD22 . . 4.620 3.537 3.211 4.071 . 0 0 "[ . 1 . 2]" 1
707 1 48 ASN H 1 49 SER H . . 3.260 2.631 2.544 2.983 . 0 0 "[ . 1 . 2]" 1
708 1 48 ASN HA 1 51 MET H . . 4.370 3.248 2.810 3.811 . 0 0 "[ . 1 . 2]" 1
709 1 48 ASN HA 1 51 MET QB . . 3.720 2.240 1.923 3.010 . 0 0 "[ . 1 . 2]" 1
710 1 48 ASN HA 1 51 MET ME . . 3.230 2.103 1.900 2.640 . 0 0 "[ . 1 . 2]" 1
711 1 48 ASN HA 1 52 GLN H . . 5.100 3.746 3.384 4.514 . 0 0 "[ . 1 . 2]" 1
712 1 48 ASN HB2 1 48 ASN HD22 . . 3.930 3.888 3.461 4.019 0.089 5 0 "[ . 1 . 2]" 1
713 1 48 ASN HB2 1 49 SER H . . 3.900 3.731 2.610 3.992 0.092 6 0 "[ . 1 . 2]" 1
714 1 48 ASN HB2 1 52 GLN HE22 . . 4.980 3.898 3.181 5.023 0.043 3 0 "[ . 1 . 2]" 1
715 1 48 ASN HB3 1 48 ASN HD22 . . 3.970 3.503 3.415 4.042 0.072 11 0 "[ . 1 . 2]" 1
716 1 48 ASN HB3 1 49 SER H . . 4.230 4.043 2.882 4.222 . 0 0 "[ . 1 . 2]" 1
717 1 49 SER H 1 49 SER HB2 . . 3.170 2.483 2.375 2.567 . 0 0 "[ . 1 . 2]" 1
718 1 49 SER H 1 49 SER HB3 . . 3.030 2.731 2.499 3.508 0.478 15 0 "[ . 1 . 2]" 1
719 1 49 SER HA 1 52 GLN H . . 4.490 3.830 3.258 4.349 . 0 0 "[ . 1 . 2]" 1
720 1 49 SER HA 1 52 GLN QB . . 4.040 3.338 2.692 4.027 . 0 0 "[ . 1 . 2]" 1
721 1 49 SER HA 1 52 GLN HE21 . . 4.500 3.095 2.136 4.917 0.417 7 0 "[ . 1 . 2]" 1
722 1 49 SER HA 1 52 GLN HE22 . . 4.920 4.065 3.236 4.912 . 0 0 "[ . 1 . 2]" 1
723 1 49 SER HB2 1 50 GLN H . . 3.450 3.574 2.292 3.896 0.446 17 0 "[ . 1 . 2]" 1
724 1 49 SER HB3 1 50 GLN HG3 . . 4.670 3.467 2.867 5.099 0.429 1 0 "[ . 1 . 2]" 1
725 1 50 GLN H 1 50 GLN QB . . 3.030 2.451 2.344 2.772 . 0 0 "[ . 1 . 2]" 1
726 1 50 GLN H 1 50 GLN QE . . 4.800 3.530 3.101 4.038 . 0 0 "[ . 1 . 2]" 1
727 1 50 GLN H 1 50 GLN HG2 . . 3.670 3.369 1.788 3.789 0.119 17 0 "[ . 1 . 2]" 1
728 1 50 GLN H 1 50 GLN HG3 . . 3.830 2.334 1.958 2.840 . 0 0 "[ . 1 . 2]" 1
729 1 50 GLN H 1 51 MET H . . 3.300 2.527 2.366 2.714 . 0 0 "[ . 1 . 2]" 1
730 1 50 GLN H 1 66 MET ME . . 5.160 4.132 3.742 4.514 . 0 0 "[ . 1 . 2]" 1
731 1 50 GLN HA 1 50 GLN QE . . 5.360 4.805 4.585 5.380 0.020 1 0 "[ . 1 . 2]" 1
732 1 50 GLN HA 1 50 GLN HG2 . . 3.760 2.701 2.449 3.619 . 0 0 "[ . 1 . 2]" 1
733 1 50 GLN HA 1 50 GLN HG3 . . 3.220 3.071 2.841 3.754 0.534 1 2 "[+ - 1 . 2]" 1
734 1 50 GLN HA 1 53 LYS H . . 4.000 3.530 3.111 3.952 . 0 0 "[ . 1 . 2]" 1
735 1 50 GLN HA 1 53 LYS QB . . 4.120 3.139 2.571 4.083 . 0 0 "[ . 1 . 2]" 1
736 1 50 GLN HA 1 53 LYS QD . . 4.400 3.556 2.421 4.460 0.060 19 0 "[ . 1 . 2]" 1
737 1 50 GLN HA 1 66 MET ME . . 4.550 4.434 4.105 4.557 0.007 5 0 "[ . 1 . 2]" 1
738 1 50 GLN QB 1 51 MET H . . 3.670 2.779 2.415 3.603 . 0 0 "[ . 1 . 2]" 1
739 1 50 GLN QB 1 66 MET ME . . 3.390 2.182 1.958 2.892 . 0 0 "[ . 1 . 2]" 1
740 1 50 GLN QB 1 69 ALA MB . . 4.530 3.967 3.256 4.564 0.034 20 0 "[ . 1 . 2]" 1
741 1 50 GLN QE 1 66 MET ME . . 4.410 3.847 3.481 4.494 0.084 3 0 "[ . 1 . 2]" 1
742 1 50 GLN QE 1 69 ALA MB . . 4.150 2.983 2.259 3.818 . 0 0 "[ . 1 . 2]" 1
743 1 50 GLN HG2 1 66 MET ME . . 4.990 4.452 3.468 4.900 . 0 0 "[ . 1 . 2]" 1
744 1 50 GLN HG3 1 66 MET ME . . 4.310 4.099 1.879 4.641 0.331 16 0 "[ . 1 . 2]" 1
745 1 51 MET H 1 51 MET QB . . 3.120 2.232 2.202 2.257 . 0 0 "[ . 1 . 2]" 1
746 1 51 MET H 1 52 GLN H . . 3.420 2.639 2.422 2.806 . 0 0 "[ . 1 . 2]" 1
747 1 51 MET H 1 53 LYS H . . 4.430 3.992 3.796 4.138 . 0 0 "[ . 1 . 2]" 1
748 1 51 MET H 1 54 MET H . . 4.950 4.894 4.574 5.117 0.167 15 0 "[ . 1 . 2]" 1
749 1 51 MET H 1 54 MET ME . . 4.680 4.719 4.556 4.862 0.182 5 0 "[ . 1 . 2]" 1
750 1 51 MET H 1 66 MET ME . . 3.970 3.153 2.563 3.574 . 0 0 "[ . 1 . 2]" 1
751 1 51 MET HA 1 51 MET HG3 . . 3.490 3.335 2.572 3.662 0.172 11 0 "[ . 1 . 2]" 1
752 1 51 MET HA 1 54 MET H . . 4.510 3.464 3.137 3.807 . 0 0 "[ . 1 . 2]" 1
753 1 51 MET HA 1 54 MET HB2 . . 4.470 2.811 2.466 3.813 . 0 0 "[ . 1 . 2]" 1
754 1 51 MET HA 1 54 MET ME . . 3.330 2.285 2.114 2.433 . 0 0 "[ . 1 . 2]" 1
755 1 51 MET QB 1 66 MET ME . . 3.610 2.612 1.883 3.183 . 0 0 "[ . 1 . 2]" 1
756 1 51 MET ME 1 51 MET HG2 . . 3.410 3.217 2.450 3.414 0.004 1 0 "[ . 1 . 2]" 1
757 1 51 MET ME 1 52 GLN H . . 4.270 3.793 3.339 4.195 . 0 0 "[ . 1 . 2]" 1
758 1 51 MET ME 1 52 GLN HA . . 4.580 4.382 3.782 4.663 0.083 15 0 "[ . 1 . 2]" 1
759 1 51 MET ME 1 52 GLN HE21 . . 4.790 4.390 3.560 5.103 0.313 13 0 "[ . 1 . 2]" 1
760 1 51 MET ME 1 52 GLN HG3 . . 3.550 3.132 2.489 3.759 0.209 3 0 "[ . 1 . 2]" 1
761 1 51 MET HG2 1 52 GLN H . . 5.130 4.230 3.838 4.593 . 0 0 "[ . 1 . 2]" 1
762 1 51 MET HG2 1 52 GLN HA . . 4.840 4.276 3.654 4.752 . 0 0 "[ . 1 . 2]" 1
763 1 51 MET HG2 1 54 MET ME . . 3.970 2.884 2.255 3.742 . 0 0 "[ . 1 . 2]" 1
764 1 51 MET HG2 1 66 MET ME . . 4.600 4.216 3.153 4.640 0.040 3 0 "[ . 1 . 2]" 1
765 1 51 MET HG3 1 52 GLN H . . 5.500 4.960 4.788 5.201 . 0 0 "[ . 1 . 2]" 1
766 1 51 MET HG3 1 66 MET ME . . 4.340 3.964 2.965 4.597 0.257 17 0 "[ . 1 . 2]" 1
767 1 52 GLN H 1 52 GLN QB . . 3.060 2.400 2.366 2.469 . 0 0 "[ . 1 . 2]" 1
768 1 52 GLN H 1 52 GLN HE21 . . 4.430 3.815 3.491 4.791 0.361 7 0 "[ . 1 . 2]" 1
769 1 52 GLN H 1 52 GLN HG2 . . 3.790 3.584 3.384 3.716 . 0 0 "[ . 1 . 2]" 1
770 1 52 GLN H 1 52 GLN HG3 . . 3.590 2.391 1.992 2.529 . 0 0 "[ . 1 . 2]" 1
771 1 52 GLN H 1 53 LYS H . . 3.200 2.542 2.449 2.624 . 0 0 "[ . 1 . 2]" 1
772 1 52 GLN H 1 53 LYS QB . . 4.880 4.628 4.357 4.882 0.002 7 0 "[ . 1 . 2]" 1
773 1 52 GLN HA 1 52 GLN HE21 . . 4.940 4.906 4.498 5.039 0.099 18 0 "[ . 1 . 2]" 1
774 1 52 GLN HA 1 52 GLN HG2 . . 3.560 2.515 2.397 2.719 . 0 0 "[ . 1 . 2]" 1
775 1 52 GLN HA 1 52 GLN HG3 . . 3.910 3.003 2.861 3.153 . 0 0 "[ . 1 . 2]" 1
776 1 52 GLN QB 1 52 GLN HE22 . . 4.860 3.628 3.173 4.085 . 0 0 "[ . 1 . 2]" 1
777 1 52 GLN QB 1 53 LYS H . . 3.910 2.860 2.541 3.079 . 0 0 "[ . 1 . 2]" 1
778 1 53 LYS H 1 53 LYS QB . . 3.370 2.446 2.131 2.706 . 0 0 "[ . 1 . 2]" 1
779 1 53 LYS H 1 53 LYS QE . . 4.530 4.187 3.056 4.626 0.096 16 0 "[ . 1 . 2]" 1
780 1 53 LYS H 1 53 LYS HG2 . . 3.840 3.148 2.143 3.908 0.068 8 0 "[ . 1 . 2]" 1
781 1 53 LYS H 1 53 LYS HG3 . . 3.810 3.013 2.009 3.982 0.172 15 0 "[ . 1 . 2]" 1
782 1 53 LYS HA 1 53 LYS QD . . 4.110 3.768 2.042 4.236 0.126 11 0 "[ . 1 . 2]" 1
783 1 53 LYS HA 1 53 LYS HG2 . . 3.640 3.123 2.441 4.178 0.538 4 1 "[ +. 1 . 2]" 1
784 1 53 LYS HA 1 53 LYS HG3 . . 3.920 3.283 2.496 3.897 . 0 0 "[ . 1 . 2]" 1
785 1 53 LYS HA 1 54 MET H . . 3.360 3.284 3.073 3.444 0.084 18 0 "[ . 1 . 2]" 1
786 1 53 LYS QB 1 53 LYS QD . . 3.360 2.209 2.082 2.394 . 0 0 "[ . 1 . 2]" 1
787 1 53 LYS QB 1 54 MET H . . 4.440 3.453 2.945 3.988 . 0 0 "[ . 1 . 2]" 1
788 1 53 LYS QE 1 53 LYS HG3 . . 3.840 2.664 2.194 3.311 . 0 0 "[ . 1 . 2]" 1
789 1 54 MET H 1 54 MET HB2 . . 3.280 2.618 2.349 2.835 . 0 0 "[ . 1 . 2]" 1
790 1 54 MET H 1 54 MET HB3 . . 3.160 2.516 2.361 3.549 0.389 15 0 "[ . 1 . 2]" 1
791 1 54 MET H 1 55 GLY H . . 3.240 2.525 2.309 2.950 . 0 0 "[ . 1 . 2]" 1
792 1 54 MET HA 1 54 MET HG2 . . 3.750 3.106 2.362 3.572 . 0 0 "[ . 1 . 2]" 1
793 1 54 MET HA 1 54 MET HG3 . . 3.970 2.653 2.478 3.179 . 0 0 "[ . 1 . 2]" 1
794 1 54 MET HB2 1 55 GLY H . . 4.450 3.797 2.807 4.129 . 0 0 "[ . 1 . 2]" 1
795 1 54 MET HB3 1 54 MET ME . . 2.960 2.600 2.172 3.048 0.088 1 0 "[ . 1 . 2]" 1
796 1 54 MET HB3 1 54 MET HG2 . . 2.980 2.450 2.268 2.579 . 0 0 "[ . 1 . 2]" 1
797 1 54 MET HB3 1 55 GLY H . . 4.010 2.608 2.074 3.665 . 0 0 "[ . 1 . 2]" 1
798 1 54 MET ME 1 54 MET HG2 . . 3.430 3.106 2.491 3.424 . 0 0 "[ . 1 . 2]" 1
799 1 54 MET ME 1 63 LEU HA . . 3.510 3.367 2.743 3.641 0.131 5 0 "[ . 1 . 2]" 1
800 1 54 MET ME 1 63 LEU QD . . 3.080 2.826 2.192 3.172 0.092 9 0 "[ . 1 . 2]" 1
801 1 54 MET ME 1 66 MET H . . 5.060 4.844 4.126 5.217 0.157 10 0 "[ . 1 . 2]" 1
802 1 54 MET ME 1 66 MET HB2 . . 4.780 3.329 2.318 4.109 . 0 0 "[ . 1 . 2]" 1
803 1 54 MET ME 1 66 MET HG2 . . 3.810 3.046 2.349 3.833 0.023 20 0 "[ . 1 . 2]" 1
804 1 54 MET ME 1 66 MET HG3 . . 3.120 2.291 1.800 3.814 0.694 15 3 "[* . 1 +- 2]" 1
805 1 54 MET HG3 1 55 GLY H . . 4.780 4.637 4.218 5.168 0.388 16 0 "[ . 1 . 2]" 1
806 1 55 GLY H 1 56 PRO HD2 . . 4.610 4.669 4.220 4.935 0.325 6 0 "[ . 1 . 2]" 1
807 1 55 GLY H 1 56 PRO HD3 . . 4.940 4.253 3.423 4.785 . 0 0 "[ . 1 . 2]" 1
808 1 55 GLY HA2 1 56 PRO HD2 . . 3.840 2.422 2.000 2.877 . 0 0 "[ . 1 . 2]" 1
809 1 55 GLY HA2 1 56 PRO HD3 . . 3.720 2.337 1.970 2.523 . 0 0 "[ . 1 . 2]" 1
810 1 55 GLY HA2 1 56 PRO QG . . 4.620 4.001 3.811 4.304 . 0 0 "[ . 1 . 2]" 1
811 1 55 GLY HA3 1 56 PRO HD3 . . 3.870 3.570 3.044 4.009 0.139 16 0 "[ . 1 . 2]" 1
812 1 56 PRO HA 1 57 ASN H . . 3.320 2.405 2.128 3.363 0.043 15 0 "[ . 1 . 2]" 1
813 1 56 PRO HA 1 57 ASN QB . . 4.640 4.564 4.499 4.682 0.042 15 0 "[ . 1 . 2]" 1
814 1 56 PRO HB2 1 57 ASN H . . 4.210 3.570 2.988 4.249 0.039 20 0 "[ . 1 . 2]" 1
815 1 56 PRO HB2 1 57 ASN HD21 . . 4.660 3.225 2.302 4.773 0.113 12 0 "[ . 1 . 2]" 1
816 1 56 PRO HB3 1 57 ASN H . . 4.680 3.975 3.305 4.605 . 0 0 "[ . 1 . 2]" 1
817 1 56 PRO QG 1 57 ASN H . . 4.610 4.318 2.743 4.684 0.074 16 0 "[ . 1 . 2]" 1
818 1 56 PRO QG 1 57 ASN HD21 . . 4.840 4.214 2.951 5.002 0.162 8 0 "[ . 1 . 2]" 1
819 1 57 ASN H 1 58 PRO HD2 . . 4.040 3.690 3.320 4.058 0.018 15 0 "[ . 1 . 2]" 1
820 1 57 ASN H 1 58 PRO HD3 . . 4.020 2.454 1.941 3.190 . 0 0 "[ . 1 . 2]" 1
821 1 57 ASN HA 1 57 ASN HD21 . . 4.440 3.722 1.843 4.462 0.022 8 0 "[ . 1 . 2]" 1
822 1 57 ASN HA 1 57 ASN HD22 . . 4.970 4.267 3.204 5.075 0.105 3 0 "[ . 1 . 2]" 1
823 1 57 ASN HA 1 58 PRO HD3 . . 3.800 2.513 2.140 2.748 . 0 0 "[ . 1 . 2]" 1
824 1 58 PRO HD2 1 63 LEU QD . . 5.260 3.447 1.980 4.635 . 0 0 "[ . 1 . 2]" 1
825 1 59 PRO HB3 1 62 ARG H . . 4.990 4.977 4.306 5.743 0.753 20 1 "[ . 1 . +]" 1
826 1 59 PRO HD2 1 62 ARG H . . 4.480 4.236 3.635 4.650 0.170 5 0 "[ . 1 . 2]" 1
827 1 59 PRO HD2 1 62 ARG HD2 . . 4.990 4.715 2.680 5.294 0.304 19 0 "[ . 1 . 2]" 1
828 1 59 PRO HD3 1 62 ARG QG . . 4.700 3.828 3.169 4.984 0.284 20 0 "[ . 1 . 2]" 1
829 1 59 PRO HG2 1 62 ARG H . . 4.500 3.861 3.102 4.680 0.180 3 0 "[ . 1 . 2]" 1
830 1 59 PRO HG3 1 61 HIS HE1 . . 4.150 3.780 2.656 5.135 0.985 14 1 "[ . 1 +. 2]" 1
831 1 59 PRO HG3 1 62 ARG QG . . 4.530 3.787 3.055 4.938 0.408 19 0 "[ . 1 . 2]" 1
832 1 61 HIS HA 1 64 ARG H . . 4.360 3.513 3.096 4.066 . 0 0 "[ . 1 . 2]" 1
833 1 61 HIS HA 1 64 ARG QD . . 3.860 3.429 2.181 4.020 0.160 13 0 "[ . 1 . 2]" 1
834 1 61 HIS HA 1 65 ALA H . . 4.950 4.755 4.183 5.090 0.140 18 0 "[ . 1 . 2]" 1
835 1 61 HIS HB2 1 62 ARG H . . 4.610 4.172 4.027 4.300 . 0 0 "[ . 1 . 2]" 1
836 1 61 HIS HB3 1 62 ARG H . . 4.820 4.172 4.015 4.310 . 0 0 "[ . 1 . 2]" 1
837 1 61 HIS HD2 1 62 ARG HB2 . . 4.720 4.773 4.315 5.106 0.386 13 0 "[ . 1 . 2]" 1
838 1 61 HIS HD2 1 62 ARG QG . . 4.010 2.838 2.568 3.376 . 0 0 "[ . 1 . 2]" 1
839 1 61 HIS HE1 1 62 ARG QG . . 4.680 4.195 3.261 4.629 . 0 0 "[ . 1 . 2]" 1
840 1 62 ARG H 1 62 ARG HB2 . . 3.550 2.306 2.151 2.408 . 0 0 "[ . 1 . 2]" 1
841 1 62 ARG H 1 62 ARG QG . . 3.960 2.742 2.481 3.046 . 0 0 "[ . 1 . 2]" 1
842 1 62 ARG H 1 63 LEU H . . 3.110 2.410 2.203 2.550 . 0 0 "[ . 1 . 2]" 1
843 1 62 ARG H 1 64 ARG H . . 4.550 3.982 3.645 4.375 . 0 0 "[ . 1 . 2]" 1
844 1 62 ARG HA 1 62 ARG HD2 . . 3.980 3.089 1.954 4.384 0.404 20 0 "[ . 1 . 2]" 1
845 1 62 ARG HA 1 62 ARG HD3 . . 3.950 2.586 1.973 4.161 0.211 20 0 "[ . 1 . 2]" 1
846 1 62 ARG HA 1 62 ARG QG . . 3.380 2.652 2.104 2.853 . 0 0 "[ . 1 . 2]" 1
847 1 62 ARG HA 1 65 ALA H . . 4.190 3.643 3.267 4.073 . 0 0 "[ . 1 . 2]" 1
848 1 62 ARG HB3 1 63 LEU QD . . 3.320 3.397 3.041 3.902 0.582 12 1 "[ . 1 + . 2]" 1
849 1 63 LEU H 1 63 LEU HB2 . . 3.760 2.453 2.235 2.735 . 0 0 "[ . 1 . 2]" 1
850 1 63 LEU H 1 63 LEU HB3 . . 4.060 3.577 3.513 3.622 . 0 0 "[ . 1 . 2]" 1
851 1 63 LEU H 1 63 LEU QD . . 4.130 2.270 1.783 3.057 . 0 0 "[ . 1 . 2]" 1
852 1 63 LEU H 1 63 LEU HG . . 3.990 3.220 1.895 4.014 0.024 3 0 "[ . 1 . 2]" 1
853 1 63 LEU H 1 64 ARG H . . 3.430 2.605 2.293 2.818 . 0 0 "[ . 1 . 2]" 1
854 1 63 LEU HA 1 63 LEU QD . . 3.310 2.269 1.907 2.841 . 0 0 "[ . 1 . 2]" 1
855 1 63 LEU HA 1 65 ALA H . . 4.770 4.014 3.326 4.800 0.030 4 0 "[ . 1 . 2]" 1
856 1 63 LEU HA 1 66 MET H . . 4.370 3.506 3.152 3.989 . 0 0 "[ . 1 . 2]" 1
857 1 63 LEU HA 1 66 MET HG3 . . 4.650 3.759 2.122 5.103 0.453 15 0 "[ . 1 . 2]" 1
858 1 63 LEU HB2 1 64 ARG H . . 4.570 2.688 2.294 3.483 . 0 0 "[ . 1 . 2]" 1
859 1 63 LEU HB3 1 64 ARG H . . 4.230 3.617 3.128 4.290 0.060 5 0 "[ . 1 . 2]" 1
860 1 63 LEU QD 1 64 ARG H . . 4.790 3.814 3.570 4.328 . 0 0 "[ . 1 . 2]" 1
861 1 64 ARG H 1 64 ARG HB2 . . 3.360 2.439 2.070 3.606 0.246 20 0 "[ . 1 . 2]" 1
862 1 64 ARG H 1 64 ARG HB3 . . 4.140 3.154 2.406 3.598 . 0 0 "[ . 1 . 2]" 1
863 1 64 ARG H 1 64 ARG QD . . 4.420 3.339 2.013 4.398 . 0 0 "[ . 1 . 2]" 1
864 1 64 ARG H 1 64 ARG HG2 . . 4.170 3.977 2.250 4.610 0.440 13 0 "[ . 1 . 2]" 1
865 1 64 ARG H 1 65 ALA H . . 3.520 2.649 2.335 2.931 . 0 0 "[ . 1 . 2]" 1
866 1 64 ARG H 1 65 ALA MB . . 5.340 4.321 4.064 4.648 . 0 0 "[ . 1 . 2]" 1
867 1 64 ARG H 1 66 MET H . . 5.010 4.094 3.637 4.445 . 0 0 "[ . 1 . 2]" 1
868 1 64 ARG HA 1 64 ARG QD . . 3.910 3.214 2.019 4.164 0.254 20 0 "[ . 1 . 2]" 1
869 1 64 ARG HA 1 64 ARG HG2 . . 4.250 3.344 2.391 3.982 . 0 0 "[ . 1 . 2]" 1
870 1 64 ARG HB2 1 65 ALA H . . 3.690 3.521 2.421 4.316 0.626 6 2 "[ .+ - 1 . 2]" 1
871 1 64 ARG QD 1 65 ALA H . . 5.500 4.752 4.077 5.587 0.087 6 0 "[ . 1 . 2]" 1
872 1 64 ARG HG2 1 65 ALA H . . 5.500 4.886 3.072 5.879 0.379 3 0 "[ . 1 . 2]" 1
873 1 65 ALA H 1 65 ALA MB . . 3.150 2.316 2.236 2.429 . 0 0 "[ . 1 . 2]" 1
874 1 65 ALA H 1 66 MET H . . 3.500 2.316 1.971 2.647 . 0 0 "[ . 1 . 2]" 1
875 1 65 ALA HA 1 67 ASN QD . . 4.420 4.234 3.621 4.466 0.046 2 0 "[ . 1 . 2]" 1
876 1 65 ALA MB 1 66 MET H . . 3.820 2.991 2.415 3.471 . 0 0 "[ . 1 . 2]" 1
877 1 66 MET H 1 66 MET HB2 . . 3.200 2.433 2.279 2.869 . 0 0 "[ . 1 . 2]" 1
878 1 66 MET H 1 66 MET HB3 . . 4.150 3.409 2.207 3.665 . 0 0 "[ . 1 . 2]" 1
879 1 66 MET H 1 66 MET HG2 . . 4.030 3.017 2.335 4.491 0.461 16 0 "[ . 1 . 2]" 1
880 1 66 MET H 1 66 MET HG3 . . 4.300 3.911 2.798 4.324 0.024 15 0 "[ . 1 . 2]" 1
881 1 66 MET H 1 67 ASN H . . 3.780 2.446 1.983 2.792 . 0 0 "[ . 1 . 2]" 1
882 1 66 MET H 1 67 ASN QD . . 4.170 4.046 3.507 4.273 0.103 18 0 "[ . 1 . 2]" 1
883 1 66 MET HA 1 69 ALA H . . 3.860 3.126 2.837 3.566 . 0 0 "[ . 1 . 2]" 1
884 1 66 MET HA 1 69 ALA MB . . 2.780 2.278 2.083 2.728 . 0 0 "[ . 1 . 2]" 1
885 1 66 MET HB2 1 66 MET ME . . 3.780 3.360 2.174 3.961 0.181 15 0 "[ . 1 . 2]" 1
886 1 66 MET HB2 1 67 ASN H . . 3.790 3.078 2.688 4.077 0.287 1 0 "[ . 1 . 2]" 1
887 1 66 MET HB3 1 66 MET ME . . 3.690 2.316 1.912 4.142 0.452 15 0 "[ . 1 . 2]" 1
888 1 66 MET HG2 1 67 ASN H . . 4.560 4.597 4.340 5.067 0.507 20 1 "[ . 1 . +]" 1
889 1 67 ASN H 1 67 ASN HB2 . . 3.610 3.363 2.700 3.640 0.030 20 0 "[ . 1 . 2]" 1
890 1 67 ASN H 1 67 ASN HB3 . . 3.620 2.932 2.097 3.636 0.016 15 0 "[ . 1 . 2]" 1
891 1 67 ASN H 1 68 THR H . . 3.880 2.706 2.518 2.970 . 0 0 "[ . 1 . 2]" 1
892 1 67 ASN H 1 69 ALA H . . 4.520 3.983 3.792 4.212 . 0 0 "[ . 1 . 2]" 1
893 1 67 ASN HA 1 70 MET H . . 4.430 3.848 3.622 4.075 . 0 0 "[ . 1 . 2]" 1
894 1 67 ASN HA 1 70 MET ME . . 5.080 3.902 3.229 4.312 . 0 0 "[ . 1 . 2]" 1
895 1 67 ASN HA 1 116 VAL QG . . 5.020 3.491 2.834 4.508 . 0 0 "[ . 1 . 2]" 1
896 1 67 ASN HB2 1 68 THR H . . 4.260 3.269 2.222 4.189 . 0 0 "[ . 1 . 2]" 1
897 1 67 ASN HB2 1 116 VAL QG . . 4.510 3.654 2.790 5.485 0.975 17 1 "[ . 1 . + 2]" 1
898 1 67 ASN HB3 1 68 THR H . . 4.060 3.879 3.410 4.248 0.188 16 0 "[ . 1 . 2]" 1
899 1 67 ASN HB3 1 116 VAL QG . . 4.680 3.884 2.423 5.068 0.388 20 0 "[ . 1 . 2]" 1
900 1 68 THR H 1 68 THR HB . . 3.400 2.595 2.443 2.777 . 0 0 "[ . 1 . 2]" 1
901 1 68 THR H 1 68 THR MG . . 3.990 3.753 3.716 3.792 . 0 0 "[ . 1 . 2]" 1
902 1 68 THR H 1 69 ALA H . . 3.660 2.535 2.262 2.759 . 0 0 "[ . 1 . 2]" 1
903 1 68 THR H 1 69 ALA MB . . 5.290 4.211 3.939 4.418 . 0 0 "[ . 1 . 2]" 1
904 1 68 THR H 1 119 LEU QD . . 5.350 3.787 3.110 4.699 . 0 0 "[ . 1 . 2]" 1
905 1 68 THR HA 1 68 THR MG . . 3.580 2.350 2.264 2.469 . 0 0 "[ . 1 . 2]" 1
906 1 68 THR HA 1 71 ALA MB . . 4.220 2.473 2.021 2.976 . 0 0 "[ . 1 . 2]" 1
907 1 68 THR HA 1 119 LEU QD . . 3.880 2.207 1.836 2.689 . 0 0 "[ . 1 . 2]" 1
908 1 68 THR HB 1 69 ALA H . . 3.270 2.691 2.444 2.929 . 0 0 "[ . 1 . 2]" 1
909 1 68 THR HB 1 69 ALA HA . . 4.260 4.128 3.897 4.304 0.044 2 0 "[ . 1 . 2]" 1
910 1 68 THR MG 1 69 ALA H . . 4.250 3.687 3.464 3.824 . 0 0 "[ . 1 . 2]" 1
911 1 68 THR MG 1 69 ALA HA . . 3.760 3.738 3.451 3.845 0.085 9 0 "[ . 1 . 2]" 1
912 1 68 THR MG 1 71 ALA H . . 5.500 4.874 4.646 5.188 . 0 0 "[ . 1 . 2]" 1
913 1 68 THR MG 1 72 ALA H . . 4.670 3.961 3.498 4.567 . 0 0 "[ . 1 . 2]" 1
914 1 68 THR MG 1 72 ALA MB . . 3.440 3.057 2.630 3.462 0.022 16 0 "[ . 1 . 2]" 1
915 1 68 THR MG 1 119 LEU QD . . 3.180 2.069 1.780 2.551 . 0 0 "[ . 1 . 2]" 1
916 1 68 THR MG 1 123 LEU MD1 . . 3.860 2.686 2.021 3.256 . 0 0 "[ . 1 . 2]" 1
917 1 68 THR MG 1 123 LEU MD2 . . 4.040 3.784 2.791 4.160 0.120 10 0 "[ . 1 . 2]" 1
918 1 69 ALA H 1 69 ALA MB . . 3.090 2.230 2.214 2.249 . 0 0 "[ . 1 . 2]" 1
919 1 69 ALA HA 1 72 ALA H . . 4.110 3.748 3.519 4.095 . 0 0 "[ . 1 . 2]" 1
920 1 69 ALA MB 1 70 MET H . . 3.320 2.391 2.208 2.604 . 0 0 "[ . 1 . 2]" 1
921 1 69 ALA MB 1 73 GLU HG3 . . 4.820 4.444 3.937 5.151 0.331 19 0 "[ . 1 . 2]" 1
922 1 70 MET H 1 70 MET HB2 . . 3.470 2.554 2.397 3.588 0.118 6 0 "[ . 1 . 2]" 1
923 1 70 MET H 1 70 MET HB3 . . 3.440 2.604 2.506 2.756 . 0 0 "[ . 1 . 2]" 1
924 1 70 MET H 1 70 MET ME . . 4.740 4.418 4.157 4.735 . 0 0 "[ . 1 . 2]" 1
925 1 70 MET H 1 70 MET HG2 . . 4.550 4.340 2.075 4.570 0.020 16 0 "[ . 1 . 2]" 1
926 1 70 MET H 1 70 MET HG3 . . 4.870 4.431 3.299 4.590 . 0 0 "[ . 1 . 2]" 1
927 1 70 MET H 1 71 ALA MB . . 4.230 4.220 3.997 4.302 0.072 1 0 "[ . 1 . 2]" 1
928 1 70 MET HA 1 70 MET HG3 . . 4.210 2.919 2.372 3.771 . 0 0 "[ . 1 . 2]" 1
929 1 70 MET HA 1 73 GLU H . . 4.120 3.493 3.183 3.786 . 0 0 "[ . 1 . 2]" 1
930 1 70 MET HB2 1 71 ALA H . . 3.720 3.743 3.649 3.786 0.066 7 0 "[ . 1 . 2]" 1
931 1 70 MET HB3 1 71 ALA H . . 3.730 2.567 2.307 3.846 0.116 6 0 "[ . 1 . 2]" 1
932 1 70 MET HB3 1 72 ALA H . . 5.110 5.027 4.861 5.793 0.683 6 1 "[ .+ 1 . 2]" 1
933 1 70 MET ME 1 70 MET HG2 . . 3.420 3.009 2.362 3.411 . 0 0 "[ . 1 . 2]" 1
934 1 70 MET ME 1 70 MET HG3 . . 3.470 2.828 2.367 3.411 . 0 0 "[ . 1 . 2]" 1
935 1 70 MET ME 1 71 ALA H . . 4.750 4.187 3.632 4.852 0.102 14 0 "[ . 1 . 2]" 1
936 1 70 MET ME 1 97 LEU QD . . 2.930 2.532 2.093 2.856 . 0 0 "[ . 1 . 2]" 1
937 1 70 MET ME 1 112 PHE QE . . 3.950 3.066 2.534 3.847 . 0 0 "[ . 1 . 2]" 1
938 1 70 MET ME 1 112 PHE HZ . . 3.950 2.442 1.923 3.540 . 0 0 "[ . 1 . 2]" 1
939 1 70 MET ME 1 116 VAL QG . . 3.880 2.628 1.987 3.502 . 0 0 "[ . 1 . 2]" 1
940 1 70 MET HG2 1 71 ALA H . . 5.010 3.980 2.390 4.755 . 0 0 "[ . 1 . 2]" 1
941 1 71 ALA H 1 71 ALA MB . . 3.260 2.219 2.195 2.242 . 0 0 "[ . 1 . 2]" 1
942 1 71 ALA H 1 72 ALA H . . 3.440 2.776 2.586 2.917 . 0 0 "[ . 1 . 2]" 1
943 1 71 ALA H 1 116 VAL QG . . 5.270 3.426 2.526 4.248 . 0 0 "[ . 1 . 2]" 1
944 1 71 ALA H 1 119 LEU QD . . 4.860 4.404 4.117 4.903 0.043 17 0 "[ . 1 . 2]" 1
945 1 71 ALA H 1 120 VAL MG2 . . 5.500 4.434 4.073 5.058 . 0 0 "[ . 1 . 2]" 1
946 1 71 ALA HA 1 74 VAL H . . 4.610 3.600 3.276 3.867 . 0 0 "[ . 1 . 2]" 1
947 1 71 ALA HA 1 74 VAL QG . . 4.600 2.737 1.999 3.321 . 0 0 "[ . 1 . 2]" 1
948 1 71 ALA HA 1 75 ALA H . . 4.720 4.169 3.884 4.423 . 0 0 "[ . 1 . 2]" 1
949 1 71 ALA HA 1 116 VAL HA . . 4.650 4.501 3.785 4.787 0.137 19 0 "[ . 1 . 2]" 1
950 1 71 ALA HA 1 116 VAL QG . . 4.110 2.824 2.320 3.361 . 0 0 "[ . 1 . 2]" 1
951 1 71 ALA HA 1 120 VAL MG2 . . 3.700 2.222 1.830 2.830 . 0 0 "[ . 1 . 2]" 1
952 1 71 ALA MB 1 72 ALA H . . 3.710 2.567 2.370 2.781 . 0 0 "[ . 1 . 2]" 1
953 1 71 ALA MB 1 74 VAL QG . . 4.920 3.834 3.214 4.318 . 0 0 "[ . 1 . 2]" 1
954 1 71 ALA MB 1 116 VAL HA . . 4.530 2.563 1.974 2.991 . 0 0 "[ . 1 . 2]" 1
955 1 71 ALA MB 1 116 VAL QG . . 3.860 2.271 1.899 2.850 . 0 0 "[ . 1 . 2]" 1
956 1 71 ALA MB 1 119 LEU H . . 4.630 4.018 3.677 4.286 . 0 0 "[ . 1 . 2]" 1
957 1 71 ALA MB 1 119 LEU HA . . 5.110 4.193 3.997 4.564 . 0 0 "[ . 1 . 2]" 1
958 1 71 ALA MB 1 119 LEU HB2 . . 3.530 2.324 2.153 2.493 . 0 0 "[ . 1 . 2]" 1
959 1 71 ALA MB 1 119 LEU HB3 . . 4.140 2.269 2.055 2.599 . 0 0 "[ . 1 . 2]" 1
960 1 71 ALA MB 1 119 LEU QD . . 3.460 2.580 2.267 3.056 . 0 0 "[ . 1 . 2]" 1
961 1 71 ALA MB 1 120 VAL H . . 4.420 2.875 2.564 3.270 . 0 0 "[ . 1 . 2]" 1
962 1 71 ALA MB 1 120 VAL MG2 . . 3.690 2.350 2.176 2.697 . 0 0 "[ . 1 . 2]" 1
963 1 72 ALA H 1 72 ALA MB . . 3.130 2.240 2.219 2.263 . 0 0 "[ . 1 . 2]" 1
964 1 72 ALA H 1 73 GLU H . . 3.570 2.628 2.441 2.723 . 0 0 "[ . 1 . 2]" 1
965 1 72 ALA H 1 123 LEU MD1 . . 4.590 3.289 2.957 3.442 . 0 0 "[ . 1 . 2]" 1
966 1 72 ALA HA 1 123 LEU MD1 . . 3.490 2.198 1.957 2.442 . 0 0 "[ . 1 . 2]" 1
967 1 72 ALA HA 1 123 LEU MD2 . . 4.230 4.165 3.946 4.241 0.011 16 0 "[ . 1 . 2]" 1
968 1 72 ALA MB 1 73 GLU H . . 3.650 2.638 2.413 2.892 . 0 0 "[ . 1 . 2]" 1
969 1 72 ALA MB 1 73 GLU HA . . 3.880 3.827 3.749 3.915 0.035 8 0 "[ . 1 . 2]" 1
970 1 72 ALA MB 1 123 LEU MD1 . . 3.780 2.231 2.093 2.447 . 0 0 "[ . 1 . 2]" 1
971 1 72 ALA MB 1 123 LEU MD2 . . 3.670 3.696 3.478 3.832 0.162 10 0 "[ . 1 . 2]" 1
972 1 73 GLU H 1 73 GLU HB2 . . 3.640 2.492 2.363 2.599 . 0 0 "[ . 1 . 2]" 1
973 1 73 GLU H 1 73 GLU HG2 . . 4.000 2.783 2.081 3.713 . 0 0 "[ . 1 . 2]" 1
974 1 73 GLU H 1 73 GLU HG3 . . 3.950 3.084 2.219 3.798 . 0 0 "[ . 1 . 2]" 1
975 1 73 GLU H 1 74 VAL H . . 3.510 2.521 2.315 2.786 . 0 0 "[ . 1 . 2]" 1
976 1 73 GLU H 1 74 VAL QG . . 4.800 3.771 3.400 4.045 . 0 0 "[ . 1 . 2]" 1
977 1 73 GLU HA 1 73 GLU HG3 . . 4.110 3.478 2.878 3.827 . 0 0 "[ . 1 . 2]" 1
978 1 73 GLU HB2 1 74 VAL QG . . 4.760 3.320 2.923 4.614 . 0 0 "[ . 1 . 2]" 1
979 1 73 GLU HB3 1 74 VAL QG . . 4.880 4.214 3.736 5.175 0.295 7 0 "[ . 1 . 2]" 1
980 1 74 VAL H 1 74 VAL QG . . 3.360 2.048 1.845 2.389 . 0 0 "[ . 1 . 2]" 1
981 1 74 VAL H 1 75 ALA H . . 3.480 2.500 2.372 2.577 . 0 0 "[ . 1 . 2]" 1
982 1 74 VAL H 1 75 ALA HA . . 5.210 5.106 4.953 5.202 . 0 0 "[ . 1 . 2]" 1
983 1 74 VAL H 1 120 VAL MG1 . . 5.410 4.874 4.282 5.368 . 0 0 "[ . 1 . 2]" 1
984 1 74 VAL H 1 120 VAL MG2 . . 4.580 4.097 3.505 4.481 . 0 0 "[ . 1 . 2]" 1
985 1 74 VAL HA 1 76 GLU QB . . 4.670 4.380 4.012 4.561 . 0 0 "[ . 1 . 2]" 1
986 1 74 VAL HA 1 77 VAL H . . 4.480 3.584 3.174 3.933 . 0 0 "[ . 1 . 2]" 1
987 1 74 VAL HA 1 77 VAL QG . . 3.970 2.689 2.192 3.237 . 0 0 "[ . 1 . 2]" 1
988 1 74 VAL HB 1 75 ALA H . . 3.880 3.214 2.539 4.012 0.132 20 0 "[ . 1 . 2]" 1
989 1 74 VAL HB 1 120 VAL MG2 . . 3.510 2.811 1.885 4.052 0.542 15 1 "[ . 1 + 2]" 1
990 1 74 VAL QG 1 75 ALA H . . 4.520 3.019 2.321 3.438 . 0 0 "[ . 1 . 2]" 1
991 1 74 VAL QG 1 120 VAL MG2 . . 3.640 2.314 1.829 2.716 . 0 0 "[ . 1 . 2]" 1
992 1 75 ALA H 1 75 ALA MB . . 3.420 2.229 2.209 2.254 . 0 0 "[ . 1 . 2]" 1
993 1 75 ALA H 1 76 GLU H . . 3.920 2.665 2.471 2.754 . 0 0 "[ . 1 . 2]" 1
994 1 75 ALA H 1 77 VAL H . . 5.090 4.532 4.229 4.823 . 0 0 "[ . 1 . 2]" 1
995 1 75 ALA H 1 120 VAL MG1 . . 5.440 3.481 3.034 3.997 . 0 0 "[ . 1 . 2]" 1
996 1 75 ALA H 1 120 VAL MG2 . . 4.870 3.573 3.162 4.168 . 0 0 "[ . 1 . 2]" 1
997 1 75 ALA HA 1 78 VAL H . . 4.060 3.365 3.121 3.559 . 0 0 "[ . 1 . 2]" 1
998 1 75 ALA HA 1 78 VAL HB . . 3.690 2.666 2.337 3.018 . 0 0 "[ . 1 . 2]" 1
999 1 75 ALA HA 1 78 VAL MG2 . . 4.060 2.804 2.429 3.336 . 0 0 "[ . 1 . 2]" 1
1000 1 75 ALA HA 1 79 ALA H . . 4.790 4.113 3.756 4.667 . 0 0 "[ . 1 . 2]" 1
1001 1 75 ALA HA 1 120 VAL HA . . 4.060 3.606 3.196 4.052 . 0 0 "[ . 1 . 2]" 1
1002 1 75 ALA HA 1 120 VAL MG1 . . 3.850 2.350 1.916 2.845 . 0 0 "[ . 1 . 2]" 1
1003 1 75 ALA HA 1 124 SER HB3 . . 3.430 3.199 2.418 4.118 0.688 2 4 "[*+ - 1 .* 2]" 1
1004 1 75 ALA MB 1 76 GLU H . . 4.040 2.774 2.572 2.990 . 0 0 "[ . 1 . 2]" 1
1005 1 75 ALA MB 1 76 GLU QG . . 5.330 3.640 3.318 5.304 . 0 0 "[ . 1 . 2]" 1
1006 1 75 ALA MB 1 78 VAL MG2 . . 4.390 4.060 3.720 4.502 0.112 14 0 "[ . 1 . 2]" 1
1007 1 75 ALA MB 1 120 VAL MG1 . . 3.510 2.965 2.391 3.435 . 0 0 "[ . 1 . 2]" 1
1008 1 75 ALA MB 1 123 LEU HB2 . . 3.750 2.310 2.089 2.605 . 0 0 "[ . 1 . 2]" 1
1009 1 75 ALA MB 1 124 SER H . . 4.100 3.458 3.098 3.870 . 0 0 "[ . 1 . 2]" 1
1010 1 75 ALA MB 1 124 SER HA . . 4.860 2.984 2.259 3.644 . 0 0 "[ . 1 . 2]" 1
1011 1 75 ALA MB 1 124 SER HB2 . . 4.150 3.444 1.953 4.073 . 0 0 "[ . 1 . 2]" 1
1012 1 75 ALA MB 1 124 SER HB3 . . 3.460 2.608 1.873 3.665 0.205 1 0 "[ . 1 . 2]" 1
1013 1 75 ALA MB 1 125 ALA H . . 5.050 4.840 4.574 5.054 0.004 6 0 "[ . 1 . 2]" 1
1014 1 76 GLU H 1 76 GLU QB . . 3.360 2.395 2.052 2.501 . 0 0 "[ . 1 . 2]" 1
1015 1 76 GLU H 1 76 GLU QG . . 3.920 2.327 2.039 3.975 0.055 18 0 "[ . 1 . 2]" 1
1016 1 76 GLU H 1 77 VAL H . . 4.040 2.776 2.657 2.955 . 0 0 "[ . 1 . 2]" 1
1017 1 76 GLU H 1 77 VAL HA . . 5.460 5.354 5.252 5.479 0.019 6 0 "[ . 1 . 2]" 1
1018 1 76 GLU H 1 77 VAL QG . . 4.710 3.754 3.567 4.210 . 0 0 "[ . 1 . 2]" 1
1019 1 76 GLU H 1 120 VAL MG1 . . 5.220 5.044 4.647 5.547 0.327 8 0 "[ . 1 . 2]" 1
1020 1 76 GLU HA 1 76 GLU QG . . 3.850 2.864 2.591 3.014 . 0 0 "[ . 1 . 2]" 1
1021 1 76 GLU HA 1 79 ALA H . . 3.820 3.582 3.339 3.817 . 0 0 "[ . 1 . 2]" 1
1022 1 76 GLU HA 1 79 ALA MB . . 3.310 2.874 2.586 3.207 . 0 0 "[ . 1 . 2]" 1
1023 1 76 GLU QB 1 77 VAL H . . 3.890 2.522 2.244 2.898 . 0 0 "[ . 1 . 2]" 1
1024 1 76 GLU QB 1 77 VAL QG . . 4.490 2.984 2.740 3.911 . 0 0 "[ . 1 . 2]" 1
1025 1 76 GLU QB 1 79 ALA MB . . 4.510 4.344 4.040 4.585 0.075 6 0 "[ . 1 . 2]" 1
1026 1 77 VAL H 1 77 VAL HB . . 3.670 3.444 2.553 3.693 0.023 16 0 "[ . 1 . 2]" 1
1027 1 77 VAL H 1 77 VAL QG . . 3.290 1.938 1.877 2.257 . 0 0 "[ . 1 . 2]" 1
1028 1 77 VAL H 1 78 VAL H . . 3.600 2.501 2.342 2.657 . 0 0 "[ . 1 . 2]" 1
1029 1 77 VAL H 1 78 VAL MG2 . . 4.870 3.750 3.346 4.096 . 0 0 "[ . 1 . 2]" 1
1030 1 77 VAL H 1 79 ALA H . . 4.370 4.049 3.707 4.261 . 0 0 "[ . 1 . 2]" 1
1031 1 77 VAL HA 1 80 THR H . . 4.580 3.675 3.283 4.390 . 0 0 "[ . 1 . 2]" 1
1032 1 77 VAL HB 1 78 VAL H . . 4.810 3.796 2.520 4.191 . 0 0 "[ . 1 . 2]" 1
1033 1 77 VAL HB 1 78 VAL MG2 . . 4.780 4.213 2.866 4.825 0.045 15 0 "[ . 1 . 2]" 1
1034 1 77 VAL QG 1 78 VAL H . . 3.750 2.501 2.238 3.325 . 0 0 "[ . 1 . 2]" 1
1035 1 77 VAL QG 1 78 VAL HA . . 4.130 3.250 3.054 3.603 . 0 0 "[ . 1 . 2]" 1
1036 1 77 VAL QG 1 80 THR H . . 5.180 4.529 4.135 4.856 . 0 0 "[ . 1 . 2]" 1
1037 1 78 VAL H 1 78 VAL HB . . 3.580 2.559 2.459 2.629 . 0 0 "[ . 1 . 2]" 1
1038 1 78 VAL H 1 78 VAL MG1 . . 4.170 3.778 3.759 3.810 . 0 0 "[ . 1 . 2]" 1
1039 1 78 VAL H 1 78 VAL MG2 . . 3.310 2.102 1.979 2.298 . 0 0 "[ . 1 . 2]" 1
1040 1 78 VAL H 1 79 ALA H . . 3.460 2.472 2.246 2.586 . 0 0 "[ . 1 . 2]" 1
1041 1 78 VAL H 1 79 ALA MB . . 4.670 4.158 3.936 4.256 . 0 0 "[ . 1 . 2]" 1
1042 1 78 VAL H 1 80 THR H . . 4.940 3.954 3.775 4.271 . 0 0 "[ . 1 . 2]" 1
1043 1 78 VAL HA 1 78 VAL MG1 . . 3.730 2.379 2.325 2.464 . 0 0 "[ . 1 . 2]" 1
1044 1 78 VAL HA 1 78 VAL MG2 . . 3.700 2.416 2.329 2.482 . 0 0 "[ . 1 . 2]" 1
1045 1 78 VAL HA 1 80 THR H . . 4.880 3.751 3.413 4.201 . 0 0 "[ . 1 . 2]" 1
1046 1 78 VAL HA 1 81 SER HG . . 4.390 2.469 1.990 3.936 . 0 0 "[ . 1 . 2]" 1
1047 1 78 VAL HB 1 79 ALA H . . 3.530 2.817 2.594 3.225 . 0 0 "[ . 1 . 2]" 1
1048 1 78 VAL HB 1 79 ALA HA . . 4.290 4.264 4.093 4.337 0.047 9 0 "[ . 1 . 2]" 1
1049 1 78 VAL HB 1 124 SER HB3 . . 4.200 2.955 2.224 3.536 . 0 0 "[ . 1 . 2]" 1
1050 1 78 VAL MG1 1 79 ALA H . . 4.140 3.678 3.338 4.021 . 0 0 "[ . 1 . 2]" 1
1051 1 78 VAL MG1 1 80 THR H . . 5.500 4.671 4.436 4.999 . 0 0 "[ . 1 . 2]" 1
1052 1 78 VAL MG1 1 81 SER H . . 4.550 4.166 3.895 4.409 . 0 0 "[ . 1 . 2]" 1
1053 1 78 VAL MG1 1 81 SER QB . . 4.170 3.303 2.814 3.640 . 0 0 "[ . 1 . 2]" 1
1054 1 78 VAL MG1 1 86 TYR QD . . 4.290 3.132 2.442 3.553 . 0 0 "[ . 1 . 2]" 1
1055 1 78 VAL MG1 1 86 TYR QE . . 2.730 2.197 1.992 2.643 . 0 0 "[ . 1 . 2]" 1
1056 1 78 VAL MG1 1 90 LEU HA . . 4.360 3.694 3.165 4.255 . 0 0 "[ . 1 . 2]" 1
1057 1 78 VAL MG1 1 124 SER H . . 5.370 5.381 4.911 5.736 0.366 18 0 "[ . 1 . 2]" 1
1058 1 78 VAL MG1 1 124 SER HB2 . . 4.500 3.264 2.861 3.766 . 0 0 "[ . 1 . 2]" 1
1059 1 78 VAL MG1 1 124 SER HB3 . . 4.790 3.478 2.488 3.923 . 0 0 "[ . 1 . 2]" 1
1060 1 78 VAL MG1 1 124 SER HG . . 4.740 3.457 2.946 3.859 . 0 0 "[ . 1 . 2]" 1
1061 1 78 VAL MG2 1 79 ALA H . . 4.160 3.824 3.699 3.957 . 0 0 "[ . 1 . 2]" 1
1062 1 78 VAL MG2 1 90 LEU HA . . 4.440 3.998 3.480 4.490 0.050 9 0 "[ . 1 . 2]" 1
1063 1 79 ALA H 1 79 ALA MB . . 3.000 2.234 2.220 2.247 . 0 0 "[ . 1 . 2]" 1
1064 1 79 ALA H 1 80 THR H . . 3.530 2.610 2.528 2.707 . 0 0 "[ . 1 . 2]" 1
1065 1 79 ALA H 1 81 SER H . . 4.450 4.165 3.962 4.341 . 0 0 "[ . 1 . 2]" 1
1066 1 79 ALA H 1 124 SER HA . . 4.820 4.510 3.783 4.885 0.065 9 0 "[ . 1 . 2]" 1
1067 1 79 ALA MB 1 80 THR H . . 3.930 2.989 2.715 3.206 . 0 0 "[ . 1 . 2]" 1
1068 1 79 ALA MB 1 124 SER HA . . 3.830 2.613 2.245 3.224 . 0 0 "[ . 1 . 2]" 1
1069 1 80 THR H 1 80 THR HB . . 4.030 2.631 2.347 2.780 . 0 0 "[ . 1 . 2]" 1
1070 1 80 THR H 1 81 SER H . . 2.990 2.495 2.304 2.653 . 0 0 "[ . 1 . 2]" 1
1071 1 80 THR H 1 81 SER HG . . 4.490 3.689 3.346 4.212 . 0 0 "[ . 1 . 2]" 1
1072 1 80 THR HA 1 80 THR MG . . 3.100 2.396 2.252 3.167 0.067 13 0 "[ . 1 . 2]" 1
1073 1 80 THR HA 1 81 SER H . . 3.350 3.266 3.043 3.414 0.064 20 0 "[ . 1 . 2]" 1
1074 1 80 THR MG 1 81 SER H . . 4.680 4.062 2.899 4.321 . 0 0 "[ . 1 . 2]" 1
1075 1 81 SER H 1 81 SER QB . . 3.160 2.505 2.394 2.620 . 0 0 "[ . 1 . 2]" 1
1076 1 81 SER H 1 81 SER HG . . 3.070 2.472 2.214 3.116 0.046 18 0 "[ . 1 . 2]" 1
1077 1 81 SER H 1 86 TYR QD . . 4.520 4.203 3.626 4.581 0.061 2 0 "[ . 1 . 2]" 1
1078 1 81 SER H 1 89 VAL MG1 . . 5.110 4.923 4.468 5.670 0.560 14 1 "[ . 1 +. 2]" 1
1079 1 81 SER QB 1 86 TYR QD . . 4.020 2.647 2.278 3.053 . 0 0 "[ . 1 . 2]" 1
1080 1 81 SER QB 1 86 TYR QE . . 4.350 4.191 3.669 4.375 0.025 8 0 "[ . 1 . 2]" 1
1081 1 81 SER QB 1 89 VAL HB . . 4.200 3.371 2.978 3.773 . 0 0 "[ . 1 . 2]" 1
1082 1 81 SER QB 1 89 VAL MG2 . . 3.710 2.430 2.061 2.840 . 0 0 "[ . 1 . 2]" 1
1083 1 81 SER HG 1 89 VAL MG1 . . 5.080 2.935 2.347 3.978 . 0 0 "[ . 1 . 2]" 1
1084 1 81 SER HG 1 89 VAL MG2 . . 4.550 3.187 2.705 3.777 . 0 0 "[ . 1 . 2]" 1
1085 1 83 PRO HA 1 86 TYR H . . 4.060 3.503 3.091 3.909 . 0 0 "[ . 1 . 2]" 1
1086 1 83 PRO HA 1 86 TYR HB2 . . 4.570 2.582 2.091 3.311 . 0 0 "[ . 1 . 2]" 1
1087 1 83 PRO HB2 1 84 GLN H . . 3.900 2.940 2.297 4.258 0.358 19 0 "[ . 1 . 2]" 1
1088 1 83 PRO HD2 1 84 GLN H . . 5.010 3.244 2.847 4.910 . 0 0 "[ . 1 . 2]" 1
1089 1 84 GLN H 1 84 GLN QB . . 3.280 2.474 2.232 2.807 . 0 0 "[ . 1 . 2]" 1
1090 1 84 GLN H 1 84 GLN HE21 . . 4.990 4.556 3.671 5.268 0.278 16 0 "[ . 1 . 2]" 1
1091 1 84 GLN H 1 84 GLN HG2 . . 4.540 3.327 1.901 4.582 0.042 3 0 "[ . 1 . 2]" 1
1092 1 84 GLN H 1 84 GLN HG3 . . 4.340 3.138 2.021 4.726 0.386 19 0 "[ . 1 . 2]" 1
1093 1 84 GLN H 1 85 SER H . . 3.490 2.519 1.780 2.915 . 0 0 "[ . 1 . 2]" 1
1094 1 84 GLN H 1 86 TYR H . . 4.620 3.673 2.313 4.124 . 0 0 "[ . 1 . 2]" 1
1095 1 84 GLN HA 1 84 GLN HG2 . . 4.020 3.003 2.499 3.772 . 0 0 "[ . 1 . 2]" 1
1096 1 84 GLN HA 1 84 GLN HG3 . . 4.200 3.202 2.500 3.801 . 0 0 "[ . 1 . 2]" 1
1097 1 84 GLN QB 1 84 GLN HG2 . . 2.560 2.328 2.150 2.378 . 0 0 "[ . 1 . 2]" 1
1098 1 84 GLN QB 1 85 SER H . . 3.720 2.914 2.117 3.711 . 0 0 "[ . 1 . 2]" 1
1099 1 84 GLN HE21 1 84 GLN HG2 . . 3.210 2.864 2.226 3.491 0.281 19 0 "[ . 1 . 2]" 1
1100 1 84 GLN HE22 1 84 GLN HG2 . . 3.800 3.759 3.474 4.060 0.260 19 0 "[ . 1 . 2]" 1
1101 1 84 GLN HE22 1 84 GLN HG3 . . 3.970 3.631 3.475 4.072 0.102 18 0 "[ . 1 . 2]" 1
1102 1 84 GLN HG2 1 85 SER H . . 4.640 4.326 2.733 5.275 0.635 10 5 "[ . *+- * *]" 1
1103 1 85 SER H 1 86 TYR H . . 2.860 2.172 1.793 2.492 . 0 0 "[ . 1 . 2]" 1
1104 1 85 SER H 1 86 TYR HB2 . . 4.280 4.131 3.481 4.677 0.397 5 0 "[ . 1 . 2]" 1
1105 1 85 SER H 1 87 SER H . . 4.820 4.613 4.290 4.839 0.019 2 0 "[ . 1 . 2]" 1
1106 1 85 SER H 1 89 VAL MG2 . . 5.460 5.131 4.647 5.436 . 0 0 "[ . 1 . 2]" 1
1107 1 85 SER HA 1 85 SER QB . . 2.570 2.310 2.180 2.413 . 0 0 "[ . 1 . 2]" 1
1108 1 85 SER HA 1 88 ALA H . . 4.780 3.511 3.330 3.716 . 0 0 "[ . 1 . 2]" 1
1109 1 85 SER HA 1 88 ALA MB . . 4.300 3.121 2.630 3.589 . 0 0 "[ . 1 . 2]" 1
1110 1 86 TYR H 1 86 TYR HB2 . . 3.220 2.486 2.372 2.618 . 0 0 "[ . 1 . 2]" 1
1111 1 86 TYR H 1 86 TYR HB3 . . 3.220 2.540 2.457 2.653 . 0 0 "[ . 1 . 2]" 1
1112 1 86 TYR H 1 86 TYR QD . . 4.220 4.185 4.143 4.202 . 0 0 "[ . 1 . 2]" 1
1113 1 86 TYR H 1 87 SER H . . 3.550 2.791 2.546 2.957 . 0 0 "[ . 1 . 2]" 1
1114 1 86 TYR H 1 88 ALA H . . 4.340 4.131 3.733 4.332 . 0 0 "[ . 1 . 2]" 1
1115 1 86 TYR HA 1 89 VAL H . . 3.910 3.450 3.266 3.720 . 0 0 "[ . 1 . 2]" 1
1116 1 86 TYR HA 1 89 VAL MG2 . . 5.060 3.093 2.751 3.668 . 0 0 "[ . 1 . 2]" 1
1117 1 86 TYR HB2 1 87 SER H . . 4.620 3.821 3.662 3.939 . 0 0 "[ . 1 . 2]" 1
1118 1 86 TYR HB3 1 87 SER H . . 3.430 2.489 2.258 2.624 . 0 0 "[ . 1 . 2]" 1
1119 1 86 TYR HB3 1 87 SER HA . . 4.430 4.204 4.102 4.371 . 0 0 "[ . 1 . 2]" 1
1120 1 86 TYR HB3 1 88 ALA H . . 4.780 4.849 4.543 4.997 0.217 12 0 "[ . 1 . 2]" 1
1121 1 86 TYR QD 1 87 SER H . . 3.270 3.244 3.065 3.353 0.083 9 0 "[ . 1 . 2]" 1
1122 1 86 TYR QD 1 87 SER HA . . 4.140 2.931 2.726 3.353 . 0 0 "[ . 1 . 2]" 1
1123 1 86 TYR QD 1 88 ALA H . . 5.060 5.105 4.934 5.174 0.114 13 0 "[ . 1 . 2]" 1
1124 1 86 TYR QD 1 90 LEU QD . . 5.110 3.579 2.561 4.150 . 0 0 "[ . 1 . 2]" 1
1125 1 86 TYR QD 1 128 ALA MB . . 4.640 3.193 2.303 4.625 . 0 0 "[ . 1 . 2]" 1
1126 1 86 TYR QE 1 90 LEU HB2 . . 4.030 3.480 2.699 4.350 0.320 19 0 "[ . 1 . 2]" 1
1127 1 86 TYR QE 1 90 LEU QD . . 2.990 2.556 1.786 3.064 0.074 11 0 "[ . 1 . 2]" 1
1128 1 86 TYR QE 1 90 LEU HG . . 4.210 3.181 2.270 4.376 0.166 3 0 "[ . 1 . 2]" 1
1129 1 86 TYR QE 1 125 ALA H . . 4.970 4.141 3.339 4.932 . 0 0 "[ . 1 . 2]" 1
1130 1 86 TYR QE 1 125 ALA MB . . 4.310 3.136 1.988 3.914 . 0 0 "[ . 1 . 2]" 1
1131 1 86 TYR QE 1 128 ALA MB . . 4.900 3.248 2.197 4.918 0.018 18 0 "[ . 1 . 2]" 1
1132 1 87 SER H 1 87 SER QB . . 2.780 2.540 2.389 2.653 . 0 0 "[ . 1 . 2]" 1
1133 1 87 SER H 1 88 ALA H . . 3.050 2.696 2.567 2.788 . 0 0 "[ . 1 . 2]" 1
1134 1 87 SER H 1 88 ALA MB . . 4.850 4.384 4.250 4.496 . 0 0 "[ . 1 . 2]" 1
1135 1 87 SER HA 1 89 VAL H . . 4.350 4.342 4.283 4.397 0.047 5 0 "[ . 1 . 2]" 1
1136 1 87 SER HA 1 90 LEU H . . 4.290 3.518 3.140 4.167 . 0 0 "[ . 1 . 2]" 1
1137 1 87 SER HA 1 90 LEU HB2 . . 4.190 3.069 2.262 4.345 0.155 5 0 "[ . 1 . 2]" 1
1138 1 87 SER HA 1 90 LEU HB3 . . 4.460 3.106 2.339 4.078 . 0 0 "[ . 1 . 2]" 1
1139 1 87 SER HA 1 91 ASN H . . 4.430 3.921 3.204 4.369 . 0 0 "[ . 1 . 2]" 1
1140 1 87 SER QB 1 88 ALA H . . 3.450 2.839 2.601 3.491 0.041 11 0 "[ . 1 . 2]" 1
1141 1 87 SER QB 1 88 ALA HA . . 4.620 3.968 3.816 4.280 . 0 0 "[ . 1 . 2]" 1
1142 1 87 SER QB 1 88 ALA MB . . 4.620 3.851 3.690 4.210 . 0 0 "[ . 1 . 2]" 1
1143 1 87 SER QB 1 91 ASN HD21 . . 4.770 3.801 3.037 4.720 . 0 0 "[ . 1 . 2]" 1
1144 1 87 SER QB 1 91 ASN HD22 . . 4.340 3.838 3.130 4.853 0.513 2 2 "[ + - 1 . 2]" 1
1145 1 88 ALA H 1 88 ALA MB . . 2.870 2.272 2.245 2.402 . 0 0 "[ . 1 . 2]" 1
1146 1 88 ALA H 1 89 VAL H . . 3.090 2.400 1.968 2.572 . 0 0 "[ . 1 . 2]" 1
1147 1 88 ALA H 1 89 VAL HB . . 4.590 4.580 4.165 4.674 0.084 15 0 "[ . 1 . 2]" 1
1148 1 88 ALA H 1 89 VAL MG2 . . 4.280 3.880 3.533 4.167 . 0 0 "[ . 1 . 2]" 1
1149 1 88 ALA H 1 90 LEU H . . 4.710 3.945 3.622 4.154 . 0 0 "[ . 1 . 2]" 1
1150 1 88 ALA HA 1 91 ASN H . . 4.050 3.674 3.420 3.839 . 0 0 "[ . 1 . 2]" 1
1151 1 88 ALA HA 1 91 ASN HB2 . . 3.550 2.955 2.457 3.331 . 0 0 "[ . 1 . 2]" 1
1152 1 88 ALA HA 1 91 ASN HB3 . . 4.370 4.327 2.719 5.048 0.678 9 3 "[ . *+1 -. 2]" 1
1153 1 88 ALA HA 1 91 ASN HD21 . . 4.500 3.164 2.681 3.403 . 0 0 "[ . 1 . 2]" 1
1154 1 88 ALA HA 1 91 ASN HD22 . . 4.780 4.591 3.731 4.862 0.082 13 0 "[ . 1 . 2]" 1
1155 1 88 ALA MB 1 89 VAL H . . 3.450 2.615 2.464 2.744 . 0 0 "[ . 1 . 2]" 1
1156 1 88 ALA MB 1 91 ASN HB2 . . 4.620 4.410 4.086 4.628 0.008 8 0 "[ . 1 . 2]" 1
1157 1 89 VAL H 1 89 VAL HB . . 3.130 2.477 2.426 2.535 . 0 0 "[ . 1 . 2]" 1
1158 1 89 VAL H 1 89 VAL MG1 . . 4.140 3.763 3.743 3.786 . 0 0 "[ . 1 . 2]" 1
1159 1 89 VAL H 1 89 VAL MG2 . . 3.170 2.176 2.077 2.271 . 0 0 "[ . 1 . 2]" 1
1160 1 89 VAL H 1 90 LEU H . . 3.480 2.564 2.401 2.753 . 0 0 "[ . 1 . 2]" 1
1161 1 89 VAL H 1 91 ASN H . . 4.330 4.142 3.721 4.375 0.045 9 0 "[ . 1 . 2]" 1
1162 1 89 VAL HA 1 89 VAL MG1 . . 3.730 2.434 2.389 2.476 . 0 0 "[ . 1 . 2]" 1
1163 1 89 VAL HA 1 89 VAL MG2 . . 3.310 2.372 2.288 2.429 . 0 0 "[ . 1 . 2]" 1
1164 1 89 VAL HA 1 92 THR H . . 3.960 3.545 3.393 4.014 0.054 3 0 "[ . 1 . 2]" 1
1165 1 89 VAL HB 1 90 LEU H . . 3.360 2.543 2.278 3.250 . 0 0 "[ . 1 . 2]" 1
1166 1 89 VAL MG1 1 90 LEU H . . 4.100 3.356 3.174 3.969 . 0 0 "[ . 1 . 2]" 1
1167 1 89 VAL MG1 1 90 LEU HA . . 4.340 3.411 3.179 3.948 . 0 0 "[ . 1 . 2]" 1
1168 1 89 VAL MG1 1 92 THR H . . 5.500 4.687 4.510 5.468 . 0 0 "[ . 1 . 2]" 1
1169 1 89 VAL MG1 1 93 ILE HG12 . . 4.120 2.712 2.261 3.337 . 0 0 "[ . 1 . 2]" 1
1170 1 89 VAL MG2 1 90 LEU H . . 4.150 3.801 3.677 3.948 . 0 0 "[ . 1 . 2]" 1
1171 1 90 LEU H 1 90 LEU HB2 . . 3.250 2.167 2.023 2.810 . 0 0 "[ . 1 . 2]" 1
1172 1 90 LEU H 1 90 LEU HB3 . . 3.240 2.852 2.334 3.423 0.183 7 0 "[ . 1 . 2]" 1
1173 1 90 LEU H 1 90 LEU QD . . 4.230 3.495 3.197 3.797 . 0 0 "[ . 1 . 2]" 1
1174 1 90 LEU H 1 90 LEU HG . . 4.350 4.257 2.907 4.511 0.161 16 0 "[ . 1 . 2]" 1
1175 1 90 LEU HA 1 90 LEU QD . . 3.520 1.977 1.827 2.707 . 0 0 "[ . 1 . 2]" 1
1176 1 90 LEU HA 1 93 ILE H . . 4.040 3.578 3.279 4.075 0.035 16 0 "[ . 1 . 2]" 1
1177 1 90 LEU HA 1 93 ILE HB . . 3.840 3.000 2.609 3.509 . 0 0 "[ . 1 . 2]" 1
1178 1 90 LEU HA 1 93 ILE HG13 . . 4.840 3.540 2.877 4.262 . 0 0 "[ . 1 . 2]" 1
1179 1 90 LEU HA 1 93 ILE MG . . 4.470 4.272 3.919 4.620 0.150 16 0 "[ . 1 . 2]" 1
1180 1 90 LEU HA 1 94 GLY H . . 5.030 4.177 3.879 4.703 . 0 0 "[ . 1 . 2]" 1
1181 1 90 LEU HA 1 117 MET ME . . 4.460 3.823 3.199 4.349 . 0 0 "[ . 1 . 2]" 1
1182 1 90 LEU HB2 1 91 ASN H . . 3.550 3.426 2.776 3.686 0.136 3 0 "[ . 1 . 2]" 1
1183 1 90 LEU HB3 1 91 ASN H . . 3.320 2.493 2.164 3.240 . 0 0 "[ . 1 . 2]" 1
1184 1 90 LEU QD 1 91 ASN H . . 4.620 3.587 3.319 4.139 . 0 0 "[ . 1 . 2]" 1
1185 1 90 LEU QD 1 94 GLY H . . 5.480 3.577 3.041 4.401 . 0 0 "[ . 1 . 2]" 1
1186 1 90 LEU QD 1 94 GLY HA3 . . 4.790 4.108 3.488 5.076 0.286 19 0 "[ . 1 . 2]" 1
1187 1 90 LEU QD 1 117 MET ME . . 3.260 2.305 2.005 3.231 . 0 0 "[ . 1 . 2]" 1
1188 1 90 LEU QD 1 121 LYS H . . 5.050 3.880 3.297 4.626 . 0 0 "[ . 1 . 2]" 1
1189 1 90 LEU QD 1 121 LYS HA . . 4.580 3.158 2.118 4.150 . 0 0 "[ . 1 . 2]" 1
1190 1 90 LEU QD 1 121 LYS HB2 . . 4.740 3.958 3.446 4.274 . 0 0 "[ . 1 . 2]" 1
1191 1 90 LEU QD 1 121 LYS HB3 . . 4.490 3.554 2.635 4.006 . 0 0 "[ . 1 . 2]" 1
1192 1 90 LEU QD 1 121 LYS QD . . 4.030 2.255 1.797 3.275 . 0 0 "[ . 1 . 2]" 1
1193 1 90 LEU QD 1 121 LYS QE . . 4.220 2.552 1.741 3.337 . 0 0 "[ . 1 . 2]" 1
1194 1 90 LEU QD 1 121 LYS HG2 . . 4.580 2.094 1.785 3.009 . 0 0 "[ . 1 . 2]" 1
1195 1 90 LEU QD 1 121 LYS HG3 . . 3.980 2.272 1.879 2.585 . 0 0 "[ . 1 . 2]" 1
1196 1 90 LEU HG 1 117 MET ME . . 4.740 4.452 3.558 4.755 0.015 9 0 "[ . 1 . 2]" 1
1197 1 91 ASN H 1 91 ASN HB2 . . 3.110 2.320 2.051 2.515 . 0 0 "[ . 1 . 2]" 1
1198 1 91 ASN H 1 91 ASN HD21 . . 4.250 3.396 2.316 4.288 0.038 11 0 "[ . 1 . 2]" 1
1199 1 91 ASN H 1 91 ASN HD22 . . 5.130 4.338 3.729 5.499 0.369 11 0 "[ . 1 . 2]" 1
1200 1 91 ASN HA 1 94 GLY H . . 4.420 3.620 3.372 4.014 . 0 0 "[ . 1 . 2]" 1
1201 1 91 ASN HA 1 95 ALA H . . 4.400 4.099 3.782 4.421 0.021 13 0 "[ . 1 . 2]" 1
1202 1 91 ASN HB2 1 91 ASN HD22 . . 3.890 3.477 3.439 3.501 . 0 0 "[ . 1 . 2]" 1
1203 1 91 ASN HB2 1 92 THR H . . 3.890 2.890 2.584 3.407 . 0 0 "[ . 1 . 2]" 1
1204 1 91 ASN HB3 1 92 THR H . . 3.980 3.346 2.358 3.666 . 0 0 "[ . 1 . 2]" 1
1205 1 92 THR H 1 92 THR HB . . 3.100 2.555 2.511 2.612 . 0 0 "[ . 1 . 2]" 1
1206 1 92 THR H 1 92 THR HG1 . . 3.310 2.207 1.998 3.176 . 0 0 "[ . 1 . 2]" 1
1207 1 92 THR H 1 92 THR MG . . 4.010 3.760 3.745 3.774 . 0 0 "[ . 1 . 2]" 1
1208 1 92 THR H 1 93 ILE H . . 3.500 2.726 2.601 2.853 . 0 0 "[ . 1 . 2]" 1
1209 1 92 THR HA 1 92 THR MG . . 3.370 2.392 2.346 2.428 . 0 0 "[ . 1 . 2]" 1
1210 1 92 THR HA 1 95 ALA H . . 4.560 3.642 3.446 3.804 . 0 0 "[ . 1 . 2]" 1
1211 1 92 THR HA 1 95 ALA MB . . 3.460 2.804 2.416 3.092 . 0 0 "[ . 1 . 2]" 1
1212 1 92 THR HA 1 96 CYS H . . 4.150 3.900 3.657 4.141 . 0 0 "[ . 1 . 2]" 1
1213 1 92 THR HB 1 93 ILE H . . 3.770 2.475 2.297 2.668 . 0 0 "[ . 1 . 2]" 1
1214 1 92 THR HG1 1 93 ILE H . . 4.830 4.086 3.950 4.682 . 0 0 "[ . 1 . 2]" 1
1215 1 92 THR MG 1 93 ILE H . . 4.060 3.395 3.119 3.545 . 0 0 "[ . 1 . 2]" 1
1216 1 92 THR MG 1 93 ILE HA . . 4.510 3.504 3.275 3.687 . 0 0 "[ . 1 . 2]" 1
1217 1 92 THR MG 1 93 ILE MD . . 4.600 3.296 2.994 3.494 . 0 0 "[ . 1 . 2]" 1
1218 1 92 THR MG 1 95 ALA H . . 4.870 4.806 4.522 4.949 0.079 12 0 "[ . 1 . 2]" 1
1219 1 92 THR MG 1 96 CYS H . . 4.860 3.947 3.761 4.099 . 0 0 "[ . 1 . 2]" 1
1220 1 93 ILE H 1 93 ILE HB . . 3.300 2.556 2.404 2.609 . 0 0 "[ . 1 . 2]" 1
1221 1 93 ILE H 1 93 ILE MD . . 3.880 3.124 3.041 3.361 . 0 0 "[ . 1 . 2]" 1
1222 1 93 ILE H 1 93 ILE HG12 . . 3.840 2.086 1.967 2.301 . 0 0 "[ . 1 . 2]" 1
1223 1 93 ILE H 1 93 ILE HG13 . . 4.140 3.586 3.502 3.695 . 0 0 "[ . 1 . 2]" 1
1224 1 93 ILE H 1 93 ILE MG . . 4.170 3.771 3.742 3.782 . 0 0 "[ . 1 . 2]" 1
1225 1 93 ILE H 1 94 GLY H . . 3.890 2.803 2.728 2.898 . 0 0 "[ . 1 . 2]" 1
1226 1 93 ILE HA 1 93 ILE MD . . 3.330 2.020 1.951 2.064 . 0 0 "[ . 1 . 2]" 1
1227 1 93 ILE HA 1 93 ILE MG . . 3.630 2.425 2.387 2.529 . 0 0 "[ . 1 . 2]" 1
1228 1 93 ILE HA 1 96 CYS H . . 4.020 3.861 3.485 4.047 0.027 16 0 "[ . 1 . 2]" 1
1229 1 93 ILE HA 1 96 CYS HB2 . . 4.550 3.222 2.536 3.939 . 0 0 "[ . 1 . 2]" 1
1230 1 93 ILE HA 1 97 LEU H . . 4.840 4.107 3.738 4.821 . 0 0 "[ . 1 . 2]" 1
1231 1 93 ILE HA 1 117 MET ME . . 4.700 4.708 4.239 4.821 0.121 15 0 "[ . 1 . 2]" 1
1232 1 93 ILE HB 1 93 ILE MD . . 3.720 3.238 3.235 3.241 . 0 0 "[ . 1 . 2]" 1
1233 1 93 ILE HB 1 94 GLY H . . 3.620 2.440 2.323 2.572 . 0 0 "[ . 1 . 2]" 1
1234 1 93 ILE HB 1 117 MET ME . . 3.370 2.639 2.292 3.029 . 0 0 "[ . 1 . 2]" 1
1235 1 93 ILE MD 1 94 GLY H . . 4.580 4.603 4.583 4.634 0.054 3 0 "[ . 1 . 2]" 1
1236 1 93 ILE MD 1 96 CYS H . . 5.330 5.223 4.913 5.331 0.001 16 0 "[ . 1 . 2]" 1
1237 1 93 ILE HG12 1 93 ILE MG . . 3.720 3.203 3.199 3.206 . 0 0 "[ . 1 . 2]" 1
1238 1 93 ILE HG12 1 94 GLY H . . 4.850 4.170 4.094 4.323 . 0 0 "[ . 1 . 2]" 1
1239 1 93 ILE HG13 1 94 GLY H . . 4.740 4.815 4.744 4.875 0.135 3 0 "[ . 1 . 2]" 1
1240 1 93 ILE MG 1 94 GLY H . . 4.090 3.275 3.045 3.489 . 0 0 "[ . 1 . 2]" 1
1241 1 93 ILE MG 1 94 GLY HA2 . . 4.840 3.291 3.062 3.493 . 0 0 "[ . 1 . 2]" 1
1242 1 93 ILE MG 1 94 GLY HA3 . . 4.740 4.258 3.927 4.490 . 0 0 "[ . 1 . 2]" 1
1243 1 93 ILE MG 1 97 LEU H . . 5.100 4.222 3.837 4.857 . 0 0 "[ . 1 . 2]" 1
1244 1 93 ILE MG 1 117 MET HA . . 4.730 4.407 3.574 4.719 . 0 0 "[ . 1 . 2]" 1
1245 1 93 ILE MG 1 117 MET ME . . 3.170 2.476 2.111 2.742 . 0 0 "[ . 1 . 2]" 1
1246 1 94 GLY H 1 95 ALA H . . 3.490 2.694 2.590 2.782 . 0 0 "[ . 1 . 2]" 1
1247 1 94 GLY H 1 95 ALA MB . . 4.720 4.374 4.262 4.457 . 0 0 "[ . 1 . 2]" 1
1248 1 94 GLY H 1 96 CYS H . . 4.650 4.401 4.122 4.646 . 0 0 "[ . 1 . 2]" 1
1249 1 94 GLY H 1 117 MET ME . . 3.370 2.844 2.511 3.371 0.001 4 0 "[ . 1 . 2]" 1
1250 1 94 GLY HA2 1 95 ALA H . . 3.440 3.499 3.436 3.525 0.085 20 0 "[ . 1 . 2]" 1
1251 1 94 GLY HA2 1 97 LEU HB3 . . 4.200 3.260 2.702 4.142 . 0 0 "[ . 1 . 2]" 1
1252 1 94 GLY HA2 1 117 MET ME . . 3.650 2.703 2.273 3.148 . 0 0 "[ . 1 . 2]" 1
1253 1 94 GLY HA3 1 95 ALA H . . 3.400 2.829 2.715 3.036 . 0 0 "[ . 1 . 2]" 1
1254 1 94 GLY HA3 1 97 LEU H . . 5.500 4.876 4.597 5.214 . 0 0 "[ . 1 . 2]" 1
1255 1 94 GLY HA3 1 117 MET ME . . 3.670 2.918 2.462 3.482 . 0 0 "[ . 1 . 2]" 1
1256 1 95 ALA H 1 95 ALA MB . . 2.890 2.249 2.225 2.294 . 0 0 "[ . 1 . 2]" 1
1257 1 95 ALA H 1 96 CYS H . . 3.120 2.653 2.411 2.795 . 0 0 "[ . 1 . 2]" 1
1258 1 95 ALA H 1 97 LEU H . . 4.240 3.994 3.780 4.209 . 0 0 "[ . 1 . 2]" 1
1259 1 95 ALA H 1 98 ARG H . . 4.760 4.840 4.717 4.927 0.167 17 0 "[ . 1 . 2]" 1
1260 1 95 ALA HA 1 98 ARG H . . 4.000 3.723 3.389 4.039 0.039 16 0 "[ . 1 . 2]" 1
1261 1 95 ALA MB 1 96 CYS H . . 3.290 2.382 2.280 2.528 . 0 0 "[ . 1 . 2]" 1
1262 1 95 ALA MB 1 96 CYS HA . . 5.060 3.765 3.695 3.844 . 0 0 "[ . 1 . 2]" 1
1263 1 95 ALA MB 1 97 LEU H . . 4.920 4.397 4.144 4.544 . 0 0 "[ . 1 . 2]" 1
1264 1 96 CYS H 1 96 CYS HB2 . . 3.390 2.470 2.396 2.520 . 0 0 "[ . 1 . 2]" 1
1265 1 96 CYS H 1 96 CYS HB3 . . 3.710 3.593 3.574 3.619 . 0 0 "[ . 1 . 2]" 1
1266 1 96 CYS H 1 97 LEU H . . 3.370 2.664 2.469 2.750 . 0 0 "[ . 1 . 2]" 1
1267 1 96 CYS H 1 98 ARG H . . 4.820 4.261 4.044 4.565 . 0 0 "[ . 1 . 2]" 1
1268 1 96 CYS HA 1 99 GLU H . . 4.250 3.697 3.387 4.047 . 0 0 "[ . 1 . 2]" 1
1269 1 96 CYS HA 1 99 GLU HG2 . . 4.710 3.033 2.135 3.931 . 0 0 "[ . 1 . 2]" 1
1270 1 96 CYS HA 1 99 GLU HG3 . . 4.760 3.258 2.292 3.874 . 0 0 "[ . 1 . 2]" 1
1271 1 96 CYS HB2 1 97 LEU H . . 4.240 2.828 2.593 3.654 . 0 0 "[ . 1 . 2]" 1
1272 1 97 LEU H 1 97 LEU HB2 . . 3.470 2.294 2.091 2.547 . 0 0 "[ . 1 . 2]" 1
1273 1 97 LEU H 1 97 LEU HB3 . . 3.650 2.794 2.571 3.332 . 0 0 "[ . 1 . 2]" 1
1274 1 97 LEU H 1 97 LEU QD . . 4.370 3.636 3.427 3.842 . 0 0 "[ . 1 . 2]" 1
1275 1 97 LEU H 1 97 LEU HG . . 4.630 4.409 3.495 4.683 0.053 20 0 "[ . 1 . 2]" 1
1276 1 97 LEU H 1 98 ARG H . . 3.360 2.596 2.010 2.751 . 0 0 "[ . 1 . 2]" 1
1277 1 97 LEU H 1 99 GLU H . . 4.970 4.332 3.989 4.601 . 0 0 "[ . 1 . 2]" 1
1278 1 97 LEU HA 1 97 LEU QD . . 3.410 2.097 1.875 2.991 . 0 0 "[ . 1 . 2]" 1
1279 1 97 LEU HA 1 100 SER H . . 4.250 3.758 3.483 4.044 . 0 0 "[ . 1 . 2]" 1
1280 1 97 LEU HA 1 100 SER HG . . 4.060 3.033 1.963 4.138 0.078 6 0 "[ . 1 . 2]" 1
1281 1 97 LEU HB2 1 98 ARG H . . 3.830 3.641 3.104 3.866 0.036 13 0 "[ . 1 . 2]" 1
1282 1 97 LEU HB2 1 98 ARG HA . . 5.500 5.473 4.988 5.591 0.091 12 0 "[ . 1 . 2]" 1
1283 1 97 LEU HB3 1 98 ARG H . . 4.350 2.683 2.421 3.404 . 0 0 "[ . 1 . 2]" 1
1284 1 97 LEU QD 1 98 ARG H . . 4.980 3.590 3.310 4.225 . 0 0 "[ . 1 . 2]" 1
1285 1 97 LEU QD 1 98 ARG HA . . 4.410 3.408 2.854 4.422 0.012 4 0 "[ . 1 . 2]" 1
1286 1 97 LEU QD 1 101 MET H . . 5.060 3.722 3.389 4.212 . 0 0 "[ . 1 . 2]" 1
1287 1 97 LEU QD 1 101 MET ME . . 4.670 4.004 2.599 4.608 . 0 0 "[ . 1 . 2]" 1
1288 1 97 LEU QD 1 101 MET QG . . 5.130 2.743 2.028 4.148 . 0 0 "[ . 1 . 2]" 1
1289 1 97 LEU QD 1 112 PHE QE . . 3.800 2.423 1.877 3.420 . 0 0 "[ . 1 . 2]" 1
1290 1 97 LEU QD 1 112 PHE HZ . . 4.350 3.911 3.483 4.350 0.000 3 0 "[ . 1 . 2]" 1
1291 1 97 LEU QD 1 113 THR HA . . 4.950 2.688 2.096 3.728 . 0 0 "[ . 1 . 2]" 1
1292 1 97 LEU QD 1 113 THR MG . . 3.840 2.142 1.769 3.224 . 0 0 "[ . 1 . 2]" 1
1293 1 97 LEU QD 1 116 VAL QG . . 3.410 2.302 2.001 2.658 . 0 0 "[ . 1 . 2]" 1
1294 1 97 LEU QD 1 117 MET ME . . 5.420 4.220 2.900 5.266 . 0 0 "[ . 1 . 2]" 1
1295 1 98 ARG H 1 98 ARG QB . . 2.960 2.344 2.080 2.699 . 0 0 "[ . 1 . 2]" 1
1296 1 98 ARG H 1 98 ARG QD . . 4.110 3.884 2.841 4.333 0.223 14 0 "[ . 1 . 2]" 1
1297 1 98 ARG H 1 98 ARG HG2 . . 4.970 3.498 1.990 4.492 . 0 0 "[ . 1 . 2]" 1
1298 1 98 ARG H 1 98 ARG HG3 . . 4.140 3.589 2.099 4.636 0.496 7 0 "[ . 1 . 2]" 1
1299 1 98 ARG H 1 99 GLU H . . 3.310 2.761 2.548 2.929 . 0 0 "[ . 1 . 2]" 1
1300 1 98 ARG H 1 100 SER H . . 4.770 4.223 3.947 4.472 . 0 0 "[ . 1 . 2]" 1
1301 1 98 ARG H 1 113 THR MG . . 4.800 3.986 3.437 4.478 . 0 0 "[ . 1 . 2]" 1
1302 1 98 ARG HA 1 98 ARG QD . . 4.500 3.961 1.974 4.527 0.027 11 0 "[ . 1 . 2]" 1
1303 1 98 ARG HA 1 98 ARG HG2 . . 3.900 3.069 2.522 3.810 . 0 0 "[ . 1 . 2]" 1
1304 1 98 ARG HA 1 101 MET H . . 4.470 3.889 3.537 4.220 . 0 0 "[ . 1 . 2]" 1
1305 1 98 ARG HA 1 101 MET QB . . 4.610 3.282 2.650 4.384 . 0 0 "[ . 1 . 2]" 1
1306 1 98 ARG HA 1 108 VAL QG . . 4.410 2.513 2.158 3.027 . 0 0 "[ . 1 . 2]" 1
1307 1 98 ARG HA 1 113 THR MG . . 3.890 2.441 2.095 2.878 . 0 0 "[ . 1 . 2]" 1
1308 1 98 ARG QB 1 99 GLU H . . 3.240 2.646 2.033 3.407 0.167 18 0 "[ . 1 . 2]" 1
1309 1 98 ARG QB 1 100 SER H . . 5.500 4.837 4.337 5.375 . 0 0 "[ . 1 . 2]" 1
1310 1 98 ARG QB 1 108 VAL QG . . 4.710 2.677 1.987 3.618 . 0 0 "[ . 1 . 2]" 1
1311 1 98 ARG QB 1 113 THR MG . . 3.850 3.238 2.507 3.937 0.087 2 0 "[ . 1 . 2]" 1
1312 1 98 ARG QD 1 99 GLU H . . 4.320 3.896 2.232 4.482 0.162 15 0 "[ . 1 . 2]" 1
1313 1 98 ARG QD 1 108 VAL QG . . 4.150 3.314 2.451 3.776 . 0 0 "[ . 1 . 2]" 1
1314 1 98 ARG QD 1 113 THR MG . . 4.990 4.459 2.197 5.063 0.073 13 0 "[ . 1 . 2]" 1
1315 1 98 ARG HG2 1 99 GLU H . . 4.530 3.703 2.332 4.926 0.396 1 0 "[ . 1 . 2]" 1
1316 1 98 ARG HG2 1 108 VAL QG . . 4.650 3.021 1.941 4.529 . 0 0 "[ . 1 . 2]" 1
1317 1 98 ARG HG3 1 113 THR MG . . 4.820 4.038 2.690 5.460 0.640 8 1 "[ . + 1 . 2]" 1
1318 1 99 GLU H 1 99 GLU QB . . 3.440 2.590 2.368 2.840 . 0 0 "[ . 1 . 2]" 1
1319 1 99 GLU H 1 99 GLU HG2 . . 3.840 2.268 1.819 3.398 . 0 0 "[ . 1 . 2]" 1
1320 1 99 GLU H 1 99 GLU HG3 . . 3.150 3.083 1.765 3.612 0.462 3 0 "[ . 1 . 2]" 1
1321 1 99 GLU H 1 100 SER H . . 3.450 2.662 2.421 2.910 . 0 0 "[ . 1 . 2]" 1
1322 1 99 GLU H 1 101 MET H . . 4.190 4.168 3.998 4.257 0.067 14 0 "[ . 1 . 2]" 1
1323 1 99 GLU HA 1 99 GLU HG3 . . 3.700 3.755 3.600 3.870 0.170 18 0 "[ . 1 . 2]" 1
1324 1 99 GLU HA 1 102 MET H . . 3.760 3.638 3.332 3.896 0.136 9 0 "[ . 1 . 2]" 1
1325 1 99 GLU HA 1 102 MET HG2 . . 4.430 2.644 2.105 3.914 . 0 0 "[ . 1 . 2]" 1
1326 1 99 GLU HA 1 103 GLN H . . 4.490 4.210 3.956 4.501 0.011 11 0 "[ . 1 . 2]" 1
1327 1 99 GLU QB 1 100 SER H . . 3.540 2.848 2.143 3.434 . 0 0 "[ . 1 . 2]" 1
1328 1 99 GLU QB 1 100 SER HA . . 4.270 3.970 3.595 4.322 0.052 2 0 "[ . 1 . 2]" 1
1329 1 99 GLU QB 1 103 GLN QE . . 4.300 2.707 1.850 3.975 . 0 0 "[ . 1 . 2]" 1
1330 1 99 GLU HG2 1 100 SER H . . 4.410 3.550 2.662 4.186 . 0 0 "[ . 1 . 2]" 1
1331 1 99 GLU HG3 1 100 SER H . . 4.210 3.303 1.942 4.530 0.320 1 0 "[ . 1 . 2]" 1
1332 1 100 SER H 1 100 SER HG . . 3.330 2.436 2.094 3.435 0.105 13 0 "[ . 1 . 2]" 1
1333 1 100 SER H 1 101 MET H . . 3.710 2.784 2.636 2.905 . 0 0 "[ . 1 . 2]" 1
1334 1 100 SER H 1 102 MET H . . 5.050 4.514 4.305 4.637 . 0 0 "[ . 1 . 2]" 1
1335 1 100 SER HA 1 100 SER HG . . 3.980 3.310 2.286 3.975 . 0 0 "[ . 1 . 2]" 1
1336 1 100 SER HA 1 103 GLN H . . 4.080 3.438 3.211 3.736 . 0 0 "[ . 1 . 2]" 1
1337 1 100 SER HA 1 103 GLN HB2 . . 4.630 2.350 1.865 2.868 . 0 0 "[ . 1 . 2]" 1
1338 1 100 SER HA 1 103 GLN HB3 . . 4.130 3.553 2.749 4.129 . 0 0 "[ . 1 . 2]" 1
1339 1 100 SER HG 1 101 MET H . . 4.500 3.774 2.519 4.468 . 0 0 "[ . 1 . 2]" 1
1340 1 101 MET H 1 101 MET QB . . 3.250 2.298 2.172 2.829 . 0 0 "[ . 1 . 2]" 1
1341 1 101 MET H 1 101 MET QG . . 4.240 2.870 2.040 3.914 . 0 0 "[ . 1 . 2]" 1
1342 1 101 MET H 1 102 MET H . . 3.560 2.793 2.614 2.917 . 0 0 "[ . 1 . 2]" 1
1343 1 101 MET H 1 104 ALA MB . . 5.320 4.975 4.701 5.347 0.027 10 0 "[ . 1 . 2]" 1
1344 1 101 MET H 1 108 VAL QG . . 5.500 4.260 4.036 4.489 . 0 0 "[ . 1 . 2]" 1
1345 1 101 MET HA 1 101 MET ME . . 4.100 3.699 3.189 4.337 0.237 16 0 "[ . 1 . 2]" 1
1346 1 101 MET HA 1 104 ALA MB . . 3.700 3.129 2.677 3.535 . 0 0 "[ . 1 . 2]" 1
1347 1 101 MET QB 1 101 MET ME . . 3.220 2.360 1.939 3.508 0.288 9 0 "[ . 1 . 2]" 1
1348 1 101 MET QB 1 102 MET H . . 3.420 2.540 2.351 3.382 . 0 0 "[ . 1 . 2]" 1
1349 1 101 MET QB 1 108 VAL HA . . 4.060 2.563 1.941 3.904 . 0 0 "[ . 1 . 2]" 1
1350 1 101 MET QB 1 113 THR MG . . 4.570 3.474 3.058 4.230 . 0 0 "[ . 1 . 2]" 1
1351 1 101 MET ME 1 101 MET QG . . 3.460 2.343 2.081 2.595 . 0 0 "[ . 1 . 2]" 1
1352 1 101 MET ME 1 106 GLY HA3 . . 4.640 3.980 2.847 4.762 0.122 16 0 "[ . 1 . 2]" 1
1353 1 101 MET ME 1 107 SER H . . 5.500 5.030 3.935 5.576 0.076 18 0 "[ . 1 . 2]" 1
1354 1 101 MET ME 1 108 VAL HA . . 4.320 3.161 2.389 3.888 . 0 0 "[ . 1 . 2]" 1
1355 1 101 MET ME 1 109 ASP H . . 3.860 2.464 2.125 3.072 . 0 0 "[ . 1 . 2]" 1
1356 1 101 MET ME 1 109 ASP HB2 . . 5.040 3.098 2.504 4.514 . 0 0 "[ . 1 . 2]" 1
1357 1 101 MET ME 1 109 ASP HB3 . . 3.290 2.596 1.919 4.188 0.898 1 1 "[+ . 1 . 2]" 1
1358 1 101 MET ME 1 112 PHE H . . 5.010 4.571 3.899 5.012 0.002 14 0 "[ . 1 . 2]" 1
1359 1 101 MET ME 1 112 PHE HB3 . . 4.450 2.708 2.181 3.300 . 0 0 "[ . 1 . 2]" 1
1360 1 101 MET ME 1 112 PHE QD . . 3.350 2.627 1.890 3.024 . 0 0 "[ . 1 . 2]" 1
1361 1 101 MET ME 1 113 THR H . . 4.100 4.002 3.574 4.169 0.069 16 0 "[ . 1 . 2]" 1
1362 1 101 MET ME 1 113 THR MG . . 4.300 3.405 2.574 4.115 . 0 0 "[ . 1 . 2]" 1
1363 1 101 MET QG 1 112 PHE QD . . 4.600 3.468 2.688 4.575 . 0 0 "[ . 1 . 2]" 1
1364 1 101 MET QG 1 113 THR MG . . 4.460 3.041 2.247 4.053 . 0 0 "[ . 1 . 2]" 1
1365 1 102 MET H 1 102 MET HB2 . . 4.080 3.614 3.297 3.680 . 0 0 "[ . 1 . 2]" 1
1366 1 102 MET H 1 102 MET HB3 . . 3.300 2.565 2.037 2.792 . 0 0 "[ . 1 . 2]" 1
1367 1 102 MET H 1 102 MET HG2 . . 3.760 2.514 2.095 4.001 0.241 16 0 "[ . 1 . 2]" 1
1368 1 102 MET H 1 102 MET HG3 . . 3.540 3.277 2.140 3.581 0.041 18 0 "[ . 1 . 2]" 1
1369 1 102 MET H 1 103 GLN H . . 3.630 2.421 2.278 2.529 . 0 0 "[ . 1 . 2]" 1
1370 1 102 MET H 1 108 VAL HA . . 4.320 4.104 3.764 4.348 0.028 18 0 "[ . 1 . 2]" 1
1371 1 102 MET H 1 108 VAL QG . . 3.840 3.343 2.989 3.588 . 0 0 "[ . 1 . 2]" 1
1372 1 102 MET HA 1 102 MET ME . . 3.890 3.852 3.258 3.956 0.066 20 0 "[ . 1 . 2]" 1
1373 1 102 MET HA 1 102 MET HG3 . . 4.010 3.692 3.542 3.783 . 0 0 "[ . 1 . 2]" 1
1374 1 102 MET HA 1 105 THR H . . 4.050 3.525 3.288 4.074 0.024 6 0 "[ . 1 . 2]" 1
1375 1 102 MET HA 1 107 SER H . . 3.300 2.554 2.139 3.186 . 0 0 "[ . 1 . 2]" 1
1376 1 102 MET HA 1 108 VAL QG . . 3.980 3.967 3.723 4.115 0.135 13 0 "[ . 1 . 2]" 1
1377 1 102 MET HB3 1 102 MET ME . . 3.200 2.678 2.056 3.272 0.072 14 0 "[ . 1 . 2]" 1
1378 1 102 MET HB3 1 103 GLN H . . 3.950 3.996 3.293 4.165 0.215 20 0 "[ . 1 . 2]" 1
1379 1 102 MET ME 1 102 MET HG2 . . 3.460 3.155 2.495 3.401 . 0 0 "[ . 1 . 2]" 1
1380 1 102 MET ME 1 102 MET HG3 . . 3.400 2.831 2.556 3.416 0.016 16 0 "[ . 1 . 2]" 1
1381 1 102 MET ME 1 103 GLN QE . . 5.230 4.460 3.473 5.254 0.024 6 0 "[ . 1 . 2]" 1
1382 1 102 MET ME 1 107 SER H . . 4.890 4.994 4.819 5.080 0.190 13 0 "[ . 1 . 2]" 1
1383 1 102 MET ME 1 107 SER HA . . 3.610 3.221 2.576 3.415 . 0 0 "[ . 1 . 2]" 1
1384 1 102 MET ME 1 107 SER QB . . 4.350 3.778 3.199 4.290 . 0 0 "[ . 1 . 2]" 1
1385 1 102 MET ME 1 108 VAL H . . 3.720 3.569 2.942 3.866 0.146 6 0 "[ . 1 . 2]" 1
1386 1 102 MET ME 1 108 VAL QG . . 3.380 2.654 1.837 3.443 0.063 6 0 "[ . 1 . 2]" 1
1387 1 102 MET HG2 1 103 GLN H . . 3.540 3.101 2.696 4.195 0.655 6 1 "[ .+ 1 . 2]" 1
1388 1 102 MET HG2 1 108 VAL QG . . 4.570 3.075 2.563 3.519 . 0 0 "[ . 1 . 2]" 1
1389 1 103 GLN H 1 103 GLN HB2 . . 3.330 2.168 2.083 2.322 . 0 0 "[ . 1 . 2]" 1
1390 1 103 GLN H 1 103 GLN HB3 . . 3.500 3.424 3.007 3.562 0.062 12 0 "[ . 1 . 2]" 1
1391 1 103 GLN H 1 104 ALA H . . 3.200 2.538 2.328 2.651 . 0 0 "[ . 1 . 2]" 1
1392 1 103 GLN H 1 104 ALA MB . . 4.490 4.226 4.049 4.330 . 0 0 "[ . 1 . 2]" 1
1393 1 103 GLN H 1 108 VAL QG . . 4.940 4.947 4.675 5.102 0.162 10 0 "[ . 1 . 2]" 1
1394 1 103 GLN HA 1 103 GLN HG3 . . 3.540 2.505 2.326 3.708 0.168 12 0 "[ . 1 . 2]" 1
1395 1 103 GLN HB2 1 104 ALA H . . 3.890 3.368 3.053 3.603 . 0 0 "[ . 1 . 2]" 1
1396 1 103 GLN HB3 1 104 ALA H . . 3.580 3.605 3.039 3.961 0.381 1 0 "[ . 1 . 2]" 1
1397 1 104 ALA H 1 104 ALA MB . . 3.210 2.259 2.220 2.294 . 0 0 "[ . 1 . 2]" 1
1398 1 104 ALA H 1 105 THR H . . 3.500 2.779 2.551 3.013 . 0 0 "[ . 1 . 2]" 1
1399 1 104 ALA H 1 105 THR MG . . 4.880 4.893 4.745 4.983 0.103 9 0 "[ . 1 . 2]" 1
1400 1 104 ALA HA 1 105 THR MG . . 4.530 4.065 3.580 4.243 . 0 0 "[ . 1 . 2]" 1
1401 1 104 ALA MB 1 105 THR H . . 3.880 2.044 1.758 2.164 . 0 0 "[ . 1 . 2]" 1
1402 1 104 ALA MB 1 105 THR MG . . 3.620 2.654 2.524 2.802 . 0 0 "[ . 1 . 2]" 1
1403 1 104 ALA MB 1 106 GLY H . . 4.270 2.829 2.497 4.501 0.231 6 0 "[ . 1 . 2]" 1
1404 1 104 ALA MB 1 107 SER H . . 5.270 4.561 3.921 5.014 . 0 0 "[ . 1 . 2]" 1
1405 1 105 THR H 1 105 THR MG . . 3.660 2.896 2.774 3.028 . 0 0 "[ . 1 . 2]" 1
1406 1 105 THR H 1 106 GLY H . . 3.110 1.902 1.720 3.130 0.020 6 0 "[ . 1 . 2]" 1
1407 1 105 THR H 1 106 GLY HA3 . . 4.090 4.108 3.980 4.416 0.326 8 0 "[ . 1 . 2]" 1
1408 1 105 THR H 1 107 SER H . . 3.570 3.243 2.941 3.609 0.039 16 0 "[ . 1 . 2]" 1
1409 1 105 THR HA 1 105 THR HB . . 2.510 2.461 2.397 2.507 . 0 0 "[ . 1 . 2]" 1
1410 1 105 THR HA 1 105 THR MG . . 3.250 3.213 3.183 3.220 . 0 0 "[ . 1 . 2]" 1
1411 1 105 THR MG 1 106 GLY H . . 4.580 2.517 1.996 4.120 . 0 0 "[ . 1 . 2]" 1
1412 1 105 THR MG 1 107 SER H . . 4.370 4.423 4.341 4.837 0.467 6 0 "[ . 1 . 2]" 1
1413 1 106 GLY H 1 107 SER H . . 3.280 2.792 1.782 3.159 . 0 0 "[ . 1 . 2]" 1
1414 1 107 SER H 1 107 SER QB . . 3.180 3.149 2.928 3.343 0.163 13 0 "[ . 1 . 2]" 1
1415 1 107 SER H 1 108 VAL QG . . 5.230 5.179 4.913 5.382 0.152 6 0 "[ . 1 . 2]" 1
1416 1 107 SER HA 1 108 VAL H . . 2.890 2.697 2.421 2.976 0.086 20 0 "[ . 1 . 2]" 1
1417 1 107 SER HA 1 108 VAL QG . . 4.350 3.558 3.394 3.826 . 0 0 "[ . 1 . 2]" 1
1418 1 107 SER QB 1 108 VAL H . . 2.910 2.071 1.784 2.951 0.041 16 0 "[ . 1 . 2]" 1
1419 1 107 SER QB 1 108 VAL QG . . 4.470 3.537 3.159 4.213 . 0 0 "[ . 1 . 2]" 1
1420 1 108 VAL H 1 108 VAL HB . . 3.140 2.915 2.609 3.202 0.062 3 0 "[ . 1 . 2]" 1
1421 1 108 VAL H 1 108 VAL QG . . 3.290 2.131 1.853 2.578 . 0 0 "[ . 1 . 2]" 1
1422 1 108 VAL H 1 109 ASP H . . 4.000 4.068 4.005 4.148 0.148 10 0 "[ . 1 . 2]" 1
1423 1 108 VAL HA 1 108 VAL QG . . 3.210 2.283 2.126 2.452 . 0 0 "[ . 1 . 2]" 1
1424 1 108 VAL HA 1 109 ASP H . . 2.850 2.133 2.025 2.249 . 0 0 "[ . 1 . 2]" 1
1425 1 108 VAL HB 1 109 ASP H . . 4.380 4.328 4.179 4.430 0.050 11 0 "[ . 1 . 2]" 1
1426 1 108 VAL QG 1 109 ASP H . . 3.650 3.169 3.021 3.336 . 0 0 "[ . 1 . 2]" 1
1427 1 108 VAL QG 1 113 THR H . . 5.230 4.660 4.204 5.238 0.008 2 0 "[ . 1 . 2]" 1
1428 1 108 VAL QG 1 113 THR HB . . 4.360 3.953 3.362 4.388 0.028 18 0 "[ . 1 . 2]" 1
1429 1 108 VAL QG 1 113 THR MG . . 3.700 2.248 1.797 3.218 . 0 0 "[ . 1 . 2]" 1
1430 1 109 ASP H 1 109 ASP HB2 . . 3.610 2.661 2.175 3.604 . 0 0 "[ . 1 . 2]" 1
1431 1 109 ASP H 1 109 ASP HB3 . . 3.520 2.510 2.300 3.404 . 0 0 "[ . 1 . 2]" 1
1432 1 109 ASP H 1 113 THR MG . . 4.970 3.717 3.049 4.561 . 0 0 "[ . 1 . 2]" 1
1433 1 109 ASP HA 1 110 ASN HD21 . . 5.150 3.863 3.035 5.989 0.839 2 1 "[ + . 1 . 2]" 1
1434 1 109 ASP HB3 1 113 THR MG . . 4.500 4.147 3.177 5.082 0.582 1 1 "[+ . 1 . 2]" 1
1435 1 110 ASN QB 1 111 ALA H . . 4.100 3.343 2.607 3.990 . 0 0 "[ . 1 . 2]" 1
1436 1 110 ASN HD21 1 111 ALA H . . 5.220 4.194 2.367 5.008 . 0 0 "[ . 1 . 2]" 1
1437 1 111 ALA H 1 111 ALA MB . . 3.300 2.346 2.237 2.477 . 0 0 "[ . 1 . 2]" 1
1438 1 111 ALA H 1 112 PHE H . . 3.500 2.347 2.069 2.803 . 0 0 "[ . 1 . 2]" 1
1439 1 111 ALA H 1 112 PHE HB2 . . 4.810 4.768 4.519 5.224 0.414 1 0 "[ . 1 . 2]" 1
1440 1 111 ALA HA 1 114 ASN HB2 . . 4.050 3.683 2.630 4.134 0.084 3 0 "[ . 1 . 2]" 1
1441 1 111 ALA HA 1 114 ASN HB3 . . 4.110 2.623 2.299 4.116 0.006 17 0 "[ . 1 . 2]" 1
1442 1 111 ALA HA 1 114 ASN QD . . 4.490 3.199 3.006 3.466 . 0 0 "[ . 1 . 2]" 1
1443 1 111 ALA HA 1 115 GLU H . . 4.990 3.911 3.741 4.078 . 0 0 "[ . 1 . 2]" 1
1444 1 111 ALA MB 1 112 PHE H . . 3.550 2.367 2.167 2.494 . 0 0 "[ . 1 . 2]" 1
1445 1 111 ALA MB 1 112 PHE HB2 . . 4.290 4.001 3.879 4.130 . 0 0 "[ . 1 . 2]" 1
1446 1 111 ALA MB 1 112 PHE HB3 . . 4.580 4.508 4.241 4.636 0.056 17 0 "[ . 1 . 2]" 1
1447 1 111 ALA MB 1 113 THR H . . 5.450 4.629 4.408 4.851 . 0 0 "[ . 1 . 2]" 1
1448 1 111 ALA MB 1 114 ASN H . . 4.810 4.628 4.377 4.811 0.001 11 0 "[ . 1 . 2]" 1
1449 1 111 ALA MB 1 114 ASN HB3 . . 4.510 4.127 3.837 5.282 0.772 17 1 "[ . 1 . + 2]" 1
1450 1 111 ALA MB 1 114 ASN QD . . 5.500 4.135 3.694 4.552 . 0 0 "[ . 1 . 2]" 1
1451 1 112 PHE H 1 112 PHE HB2 . . 3.560 2.546 2.405 2.691 . 0 0 "[ . 1 . 2]" 1
1452 1 112 PHE H 1 112 PHE HB3 . . 3.590 2.511 2.366 2.637 . 0 0 "[ . 1 . 2]" 1
1453 1 112 PHE H 1 112 PHE QD . . 4.480 4.184 4.150 4.201 . 0 0 "[ . 1 . 2]" 1
1454 1 112 PHE H 1 113 THR H . . 3.580 2.837 2.646 2.998 . 0 0 "[ . 1 . 2]" 1
1455 1 112 PHE HA 1 112 PHE QD . . 4.340 2.802 2.590 3.126 . 0 0 "[ . 1 . 2]" 1
1456 1 112 PHE HA 1 115 GLU H . . 4.220 3.530 3.139 4.004 . 0 0 "[ . 1 . 2]" 1
1457 1 112 PHE HA 1 115 GLU HB2 . . 4.620 3.476 2.336 4.667 0.047 16 0 "[ . 1 . 2]" 1
1458 1 112 PHE HA 1 116 VAL H . . 3.870 3.871 3.496 4.023 0.153 10 0 "[ . 1 . 2]" 1
1459 1 112 PHE HA 1 116 VAL QG . . 5.010 3.782 3.113 4.680 . 0 0 "[ . 1 . 2]" 1
1460 1 112 PHE HB2 1 113 THR H . . 3.890 3.777 3.667 3.951 0.061 19 0 "[ . 1 . 2]" 1
1461 1 112 PHE HB3 1 113 THR H . . 4.270 2.384 2.202 2.736 . 0 0 "[ . 1 . 2]" 1
1462 1 112 PHE QD 1 113 THR H . . 4.450 3.135 2.671 3.815 . 0 0 "[ . 1 . 2]" 1
1463 1 112 PHE QD 1 113 THR MG . . 3.560 2.995 2.327 3.682 0.122 14 0 "[ . 1 . 2]" 1
1464 1 112 PHE QD 1 116 VAL QG . . 3.870 3.352 3.112 3.801 . 0 0 "[ . 1 . 2]" 1
1465 1 112 PHE QE 1 116 VAL QG . . 4.020 2.976 2.720 3.382 . 0 0 "[ . 1 . 2]" 1
1466 1 112 PHE HZ 1 116 VAL QG . . 3.970 3.311 2.758 3.758 . 0 0 "[ . 1 . 2]" 1
1467 1 113 THR H 1 113 THR HB . . 3.910 3.434 2.862 3.624 . 0 0 "[ . 1 . 2]" 1
1468 1 113 THR H 1 113 THR MG . . 3.540 2.625 2.214 3.581 0.041 12 0 "[ . 1 . 2]" 1
1469 1 113 THR HA 1 113 THR MG . . 3.540 2.273 2.186 2.349 . 0 0 "[ . 1 . 2]" 1
1470 1 113 THR HB 1 114 ASN H . . 4.190 3.456 2.888 4.127 . 0 0 "[ . 1 . 2]" 1
1471 1 113 THR MG 1 114 ASN H . . 4.450 4.026 3.862 4.281 . 0 0 "[ . 1 . 2]" 1
1472 1 114 ASN H 1 114 ASN HB2 . . 3.090 2.701 2.183 3.061 . 0 0 "[ . 1 . 2]" 1
1473 1 114 ASN H 1 114 ASN HB3 . . 3.250 2.385 2.205 3.473 0.223 17 0 "[ . 1 . 2]" 1
1474 1 114 ASN H 1 114 ASN QD . . 4.720 4.093 2.340 4.464 . 0 0 "[ . 1 . 2]" 1
1475 1 114 ASN H 1 115 GLU H . . 3.230 2.628 2.066 2.900 . 0 0 "[ . 1 . 2]" 1
1476 1 114 ASN HA 1 114 ASN QD . . 4.290 3.941 3.357 4.201 . 0 0 "[ . 1 . 2]" 1
1477 1 114 ASN HA 1 116 VAL H . . 5.140 4.712 4.469 4.875 . 0 0 "[ . 1 . 2]" 1
1478 1 114 ASN HA 1 117 MET HB2 . . 4.030 2.859 2.441 4.026 . 0 0 "[ . 1 . 2]" 1
1479 1 114 ASN HA 1 117 MET HB3 . . 4.040 3.855 2.705 4.187 0.147 10 0 "[ . 1 . 2]" 1
1480 1 114 ASN HA 1 118 GLN H . . 4.620 4.167 3.828 4.665 0.045 7 0 "[ . 1 . 2]" 1
1481 1 114 ASN HB3 1 115 GLU H . . 3.840 2.598 1.955 3.362 . 0 0 "[ . 1 . 2]" 1
1482 1 114 ASN HB3 1 115 GLU HA . . 4.600 4.409 4.084 4.614 0.014 10 0 "[ . 1 . 2]" 1
1483 1 114 ASN HB3 1 115 GLU HB2 . . 4.520 4.370 3.783 5.422 0.902 17 1 "[ . 1 . + 2]" 1
1484 1 114 ASN QD 1 115 GLU H . . 4.330 3.357 2.763 4.373 0.043 16 0 "[ . 1 . 2]" 1
1485 1 115 GLU H 1 115 GLU HB2 . . 3.120 2.373 2.068 2.561 . 0 0 "[ . 1 . 2]" 1
1486 1 115 GLU H 1 115 GLU HB3 . . 3.160 2.738 2.317 3.508 0.348 1 0 "[ . 1 . 2]" 1
1487 1 115 GLU H 1 115 GLU HG2 . . 4.190 3.952 2.049 4.435 0.245 3 0 "[ . 1 . 2]" 1
1488 1 115 GLU H 1 115 GLU HG3 . . 3.850 3.985 2.086 4.358 0.508 8 1 "[ . + 1 . 2]" 1
1489 1 115 GLU H 1 116 VAL H . . 3.770 2.744 2.531 2.915 . 0 0 "[ . 1 . 2]" 1
1490 1 115 GLU H 1 116 VAL HB . . 5.410 4.933 4.630 5.361 . 0 0 "[ . 1 . 2]" 1
1491 1 115 GLU H 1 116 VAL QG . . 4.780 4.127 3.954 4.241 . 0 0 "[ . 1 . 2]" 1
1492 1 115 GLU H 1 119 LEU QD . . 5.410 5.162 4.725 5.360 . 0 0 "[ . 1 . 2]" 1
1493 1 115 GLU HA 1 115 GLU HG2 . . 4.060 3.022 2.338 3.347 . 0 0 "[ . 1 . 2]" 1
1494 1 115 GLU HA 1 115 GLU HG3 . . 3.310 2.692 2.242 3.766 0.456 7 0 "[ . 1 . 2]" 1
1495 1 115 GLU HB2 1 116 VAL H . . 3.520 3.400 2.188 3.911 0.391 13 0 "[ . 1 . 2]" 1
1496 1 115 GLU HB2 1 119 LEU QD . . 4.980 4.308 3.534 4.897 . 0 0 "[ . 1 . 2]" 1
1497 1 115 GLU HB3 1 115 GLU HG2 . . 2.800 2.468 2.283 3.003 0.203 17 0 "[ . 1 . 2]" 1
1498 1 115 GLU HB3 1 116 VAL H . . 3.900 2.626 2.148 3.391 . 0 0 "[ . 1 . 2]" 1
1499 1 115 GLU HB3 1 116 VAL QG . . 4.620 3.603 3.007 4.666 0.046 6 0 "[ . 1 . 2]" 1
1500 1 115 GLU HG2 1 116 VAL H . . 4.790 3.879 3.402 4.918 0.128 6 0 "[ . 1 . 2]" 1
1501 1 115 GLU HG2 1 119 LEU QD . . 4.610 2.809 1.823 4.948 0.338 15 0 "[ . 1 . 2]" 1
1502 1 115 GLU HG3 1 116 VAL H . . 4.880 4.567 4.172 4.818 . 0 0 "[ . 1 . 2]" 1
1503 1 115 GLU HG3 1 119 LEU QD . . 4.410 3.385 2.029 5.096 0.686 1 2 "[+ .- 1 . 2]" 1
1504 1 116 VAL H 1 116 VAL HB . . 3.330 2.517 2.431 2.577 . 0 0 "[ . 1 . 2]" 1
1505 1 116 VAL H 1 116 VAL QG . . 3.290 2.132 1.990 2.390 . 0 0 "[ . 1 . 2]" 1
1506 1 116 VAL H 1 119 LEU QD . . 5.050 4.071 3.763 4.702 . 0 0 "[ . 1 . 2]" 1
1507 1 116 VAL HA 1 119 LEU H . . 4.690 3.570 3.320 3.835 . 0 0 "[ . 1 . 2]" 1
1508 1 116 VAL HA 1 119 LEU HB3 . . 4.680 4.235 3.881 4.758 0.078 10 0 "[ . 1 . 2]" 1
1509 1 116 VAL HA 1 119 LEU QD . . 4.350 2.894 2.224 4.293 . 0 0 "[ . 1 . 2]" 1
1510 1 116 VAL HB 1 117 MET H . . 3.790 2.863 2.390 3.908 0.118 3 0 "[ . 1 . 2]" 1
1511 1 116 VAL QG 1 117 MET H . . 3.930 2.866 2.103 3.228 . 0 0 "[ . 1 . 2]" 1
1512 1 116 VAL QG 1 117 MET HA . . 4.610 3.229 2.948 3.413 . 0 0 "[ . 1 . 2]" 1
1513 1 116 VAL QG 1 120 VAL H . . 4.870 3.677 3.538 3.826 . 0 0 "[ . 1 . 2]" 1
1514 1 116 VAL QG 1 120 VAL MG2 . . 3.700 2.132 1.941 2.345 . 0 0 "[ . 1 . 2]" 1
1515 1 117 MET H 1 117 MET HB2 . . 3.860 2.318 2.058 2.516 . 0 0 "[ . 1 . 2]" 1
1516 1 117 MET H 1 117 MET HB3 . . 3.530 3.301 2.383 3.588 0.058 10 0 "[ . 1 . 2]" 1
1517 1 117 MET H 1 117 MET ME . . 4.290 3.961 3.370 4.399 0.109 3 0 "[ . 1 . 2]" 1
1518 1 117 MET H 1 117 MET HG2 . . 3.790 3.088 2.339 4.487 0.697 1 4 "[+ *- 1 . * 2]" 1
1519 1 117 MET H 1 117 MET HG3 . . 4.400 3.911 3.481 4.349 . 0 0 "[ . 1 . 2]" 1
1520 1 117 MET H 1 118 GLN H . . 3.260 2.790 2.636 2.898 . 0 0 "[ . 1 . 2]" 1
1521 1 117 MET H 1 119 LEU H . . 4.860 4.280 4.045 4.597 . 0 0 "[ . 1 . 2]" 1
1522 1 117 MET HA 1 117 MET ME . . 3.560 1.933 1.780 2.407 . 0 0 "[ . 1 . 2]" 1
1523 1 117 MET HA 1 117 MET HG2 . . 4.180 2.987 2.390 3.829 . 0 0 "[ . 1 . 2]" 1
1524 1 117 MET HA 1 117 MET HG3 . . 3.760 3.472 2.667 3.754 . 0 0 "[ . 1 . 2]" 1
1525 1 117 MET HA 1 120 VAL H . . 3.920 3.732 3.269 4.027 0.107 2 0 "[ . 1 . 2]" 1
1526 1 117 MET HA 1 121 LYS QD . . 3.830 3.853 2.947 3.986 0.156 5 0 "[ . 1 . 2]" 1
1527 1 117 MET ME 1 117 MET HG2 . . 3.940 2.824 2.243 3.429 . 0 0 "[ . 1 . 2]" 1
1528 1 117 MET ME 1 117 MET HG3 . . 3.580 3.003 2.470 3.420 . 0 0 "[ . 1 . 2]" 1
1529 1 117 MET ME 1 120 VAL H . . 5.080 4.538 4.153 5.107 0.027 10 0 "[ . 1 . 2]" 1
1530 1 117 MET ME 1 120 VAL HB . . 3.360 2.982 2.455 3.452 0.092 10 0 "[ . 1 . 2]" 1
1531 1 117 MET ME 1 120 VAL MG1 . . 4.360 3.295 2.790 3.758 . 0 0 "[ . 1 . 2]" 1
1532 1 117 MET ME 1 120 VAL MG2 . . 4.260 3.388 2.797 3.837 . 0 0 "[ . 1 . 2]" 1
1533 1 117 MET ME 1 121 LYS H . . 4.850 4.207 3.556 4.755 . 0 0 "[ . 1 . 2]" 1
1534 1 117 MET ME 1 121 LYS QE . . 4.660 4.373 3.252 4.777 0.117 17 0 "[ . 1 . 2]" 1
1535 1 117 MET ME 1 121 LYS HG2 . . 4.790 4.056 3.255 5.226 0.436 20 0 "[ . 1 . 2]" 1
1536 1 118 GLN H 1 118 GLN HB2 . . 3.120 2.608 2.431 2.973 . 0 0 "[ . 1 . 2]" 1
1537 1 118 GLN H 1 118 GLN HB3 . . 3.290 2.515 2.405 2.687 . 0 0 "[ . 1 . 2]" 1
1538 1 118 GLN H 1 119 LEU H . . 3.290 2.632 1.963 2.901 . 0 0 "[ . 1 . 2]" 1
1539 1 118 GLN H 1 119 LEU QD . . 5.210 4.511 3.488 4.919 . 0 0 "[ . 1 . 2]" 1
1540 1 118 GLN HA 1 118 GLN QG . . 3.100 2.621 2.444 3.114 0.014 16 0 "[ . 1 . 2]" 1
1541 1 118 GLN HA 1 121 LYS HB2 . . 4.140 3.214 2.811 3.667 . 0 0 "[ . 1 . 2]" 1
1542 1 118 GLN HA 1 121 LYS QD . . 3.950 3.105 2.014 4.134 0.184 3 0 "[ . 1 . 2]" 1
1543 1 118 GLN HA 1 122 MET H . . 4.340 4.152 3.894 4.338 . 0 0 "[ . 1 . 2]" 1
1544 1 118 GLN HB2 1 118 GLN QG . . 2.460 2.325 2.274 2.405 . 0 0 "[ . 1 . 2]" 1
1545 1 118 GLN HB2 1 119 LEU H . . 4.070 3.799 3.661 3.946 . 0 0 "[ . 1 . 2]" 1
1546 1 118 GLN HB3 1 118 GLN QG . . 2.470 2.313 2.163 2.408 . 0 0 "[ . 1 . 2]" 1
1547 1 118 GLN HB3 1 119 LEU H . . 3.450 2.454 2.251 2.646 . 0 0 "[ . 1 . 2]" 1
1548 1 118 GLN QG 1 119 LEU H . . 4.880 3.479 3.189 3.725 . 0 0 "[ . 1 . 2]" 1
1549 1 118 GLN QG 1 122 MET ME . . 3.660 3.155 2.711 3.734 0.074 4 0 "[ . 1 . 2]" 1
1550 1 119 LEU H 1 119 LEU HB2 . . 3.780 2.278 2.169 2.348 . 0 0 "[ . 1 . 2]" 1
1551 1 119 LEU H 1 119 LEU HB3 . . 3.450 3.532 3.472 3.551 0.101 1 0 "[ . 1 . 2]" 1
1552 1 119 LEU H 1 119 LEU QD . . 3.870 2.892 2.092 3.246 . 0 0 "[ . 1 . 2]" 1
1553 1 119 LEU H 1 119 LEU HG . . 3.660 2.933 2.502 3.860 0.200 2 0 "[ . 1 . 2]" 1
1554 1 119 LEU H 1 120 VAL H . . 3.470 2.756 2.663 2.848 . 0 0 "[ . 1 . 2]" 1
1555 1 119 LEU H 1 120 VAL MG2 . . 4.900 4.289 4.194 4.427 . 0 0 "[ . 1 . 2]" 1
1556 1 119 LEU H 1 122 MET ME . . 4.630 4.291 4.081 4.615 . 0 0 "[ . 1 . 2]" 1
1557 1 119 LEU H 1 123 LEU MD1 . . 5.120 5.210 4.954 5.342 0.222 9 0 "[ . 1 . 2]" 1
1558 1 119 LEU HA 1 119 LEU QD . . 3.310 2.282 1.940 2.675 . 0 0 "[ . 1 . 2]" 1
1559 1 119 LEU HA 1 122 MET H . . 4.110 3.418 3.039 3.652 . 0 0 "[ . 1 . 2]" 1
1560 1 119 LEU HA 1 122 MET HB3 . . 3.910 2.599 2.238 2.864 . 0 0 "[ . 1 . 2]" 1
1561 1 119 LEU HA 1 122 MET ME . . 3.370 2.158 1.923 2.435 . 0 0 "[ . 1 . 2]" 1
1562 1 119 LEU HA 1 123 LEU MD1 . . 4.080 3.639 3.368 3.859 . 0 0 "[ . 1 . 2]" 1
1563 1 119 LEU HB2 1 120 VAL H . . 4.260 2.700 2.545 2.999 . 0 0 "[ . 1 . 2]" 1
1564 1 119 LEU HB2 1 120 VAL MG2 . . 4.610 3.595 3.396 3.982 . 0 0 "[ . 1 . 2]" 1
1565 1 119 LEU HB2 1 123 LEU MD1 . . 4.880 3.810 3.405 4.073 . 0 0 "[ . 1 . 2]" 1
1566 1 119 LEU HB3 1 120 VAL H . . 4.060 3.384 3.197 3.552 . 0 0 "[ . 1 . 2]" 1
1567 1 119 LEU HB3 1 120 VAL MG2 . . 4.400 4.123 3.894 4.396 . 0 0 "[ . 1 . 2]" 1
1568 1 119 LEU HB3 1 123 LEU MD1 . . 4.920 2.375 2.043 2.617 . 0 0 "[ . 1 . 2]" 1
1569 1 119 LEU HB3 1 123 LEU HG . . 4.500 3.368 2.598 3.758 . 0 0 "[ . 1 . 2]" 1
1570 1 119 LEU QD 1 120 VAL H . . 4.660 4.035 3.924 4.112 . 0 0 "[ . 1 . 2]" 1
1571 1 119 LEU QD 1 122 MET ME . . 3.710 2.078 1.765 3.002 . 0 0 "[ . 1 . 2]" 1
1572 1 119 LEU HG 1 122 MET ME . . 3.220 3.148 2.113 3.997 0.777 17 1 "[ . 1 . + 2]" 1
1573 1 119 LEU HG 1 123 LEU MD1 . . 4.750 4.257 2.532 4.808 0.058 3 0 "[ . 1 . 2]" 1
1574 1 120 VAL H 1 120 VAL HB . . 3.370 2.523 2.435 2.600 . 0 0 "[ . 1 . 2]" 1
1575 1 120 VAL H 1 120 VAL MG1 . . 4.140 3.782 3.763 3.796 . 0 0 "[ . 1 . 2]" 1
1576 1 120 VAL H 1 120 VAL MG2 . . 3.380 2.172 2.061 2.342 . 0 0 "[ . 1 . 2]" 1
1577 1 120 VAL H 1 121 LYS H . . 3.620 2.772 2.587 2.906 . 0 0 "[ . 1 . 2]" 1
1578 1 120 VAL HB 1 121 LYS H . . 3.500 2.643 2.324 3.179 . 0 0 "[ . 1 . 2]" 1
1579 1 120 VAL MG1 1 121 LYS H . . 4.370 3.321 3.002 3.629 . 0 0 "[ . 1 . 2]" 1
1580 1 120 VAL MG1 1 121 LYS HA . . 4.270 3.306 3.030 3.520 . 0 0 "[ . 1 . 2]" 1
1581 1 120 VAL MG2 1 121 LYS H . . 4.990 3.901 3.737 4.156 . 0 0 "[ . 1 . 2]" 1
1582 1 120 VAL MG2 1 123 LEU MD1 . . 4.400 4.271 4.044 4.531 0.131 17 0 "[ . 1 . 2]" 1
1583 1 121 LYS H 1 121 LYS HB2 . . 3.630 2.460 2.165 2.776 . 0 0 "[ . 1 . 2]" 1
1584 1 121 LYS H 1 121 LYS HB3 . . 3.690 3.574 3.479 3.683 . 0 0 "[ . 1 . 2]" 1
1585 1 121 LYS H 1 121 LYS QD . . 4.540 3.147 1.959 3.889 . 0 0 "[ . 1 . 2]" 1
1586 1 121 LYS H 1 121 LYS HG2 . . 4.270 3.485 2.237 3.955 . 0 0 "[ . 1 . 2]" 1
1587 1 121 LYS H 1 121 LYS HG3 . . 4.100 2.628 1.984 4.100 0.000 9 0 "[ . 1 . 2]" 1
1588 1 121 LYS H 1 122 MET H . . 3.750 2.599 2.295 2.837 . 0 0 "[ . 1 . 2]" 1
1589 1 121 LYS HA 1 121 LYS QD . . 4.600 3.862 2.435 4.270 . 0 0 "[ . 1 . 2]" 1
1590 1 121 LYS HA 1 121 LYS HG2 . . 4.200 2.938 2.582 3.676 . 0 0 "[ . 1 . 2]" 1
1591 1 121 LYS HA 1 121 LYS HG3 . . 4.180 2.942 2.508 3.772 . 0 0 "[ . 1 . 2]" 1
1592 1 121 LYS HB2 1 121 LYS QD . . 3.300 2.450 2.223 3.405 0.105 16 0 "[ . 1 . 2]" 1
1593 1 121 LYS HB2 1 122 MET H . . 3.590 2.521 2.333 2.667 . 0 0 "[ . 1 . 2]" 1
1594 1 121 LYS HB3 1 121 LYS QD . . 3.450 3.052 2.665 3.430 . 0 0 "[ . 1 . 2]" 1
1595 1 121 LYS HB3 1 122 MET H . . 3.380 3.534 3.077 3.716 0.336 3 0 "[ . 1 . 2]" 1
1596 1 121 LYS QD 1 121 LYS HG2 . . 2.800 2.330 2.144 2.468 . 0 0 "[ . 1 . 2]" 1
1597 1 121 LYS QD 1 122 MET H . . 4.770 4.447 4.228 4.685 . 0 0 "[ . 1 . 2]" 1
1598 1 121 LYS QE 1 121 LYS HG2 . . 3.210 2.606 2.290 3.330 0.120 3 0 "[ . 1 . 2]" 1
1599 1 122 MET H 1 122 MET HB2 . . 3.020 2.668 2.513 2.866 . 0 0 "[ . 1 . 2]" 1
1600 1 122 MET H 1 122 MET HB3 . . 3.380 2.362 2.250 2.514 . 0 0 "[ . 1 . 2]" 1
1601 1 122 MET H 1 122 MET ME . . 4.090 3.900 3.686 4.105 0.015 16 0 "[ . 1 . 2]" 1
1602 1 122 MET H 1 122 MET HG2 . . 4.370 4.407 4.269 4.470 0.100 4 0 "[ . 1 . 2]" 1
1603 1 122 MET H 1 123 LEU H . . 3.520 2.594 2.441 2.773 . 0 0 "[ . 1 . 2]" 1
1604 1 122 MET H 1 123 LEU MD1 . . 5.130 5.248 5.127 5.415 0.285 16 0 "[ . 1 . 2]" 1
1605 1 122 MET HA 1 122 MET HG2 . . 3.780 2.954 2.518 3.317 . 0 0 "[ . 1 . 2]" 1
1606 1 122 MET HA 1 122 MET HG3 . . 4.030 3.075 2.593 3.642 . 0 0 "[ . 1 . 2]" 1
1607 1 122 MET HA 1 124 SER H . . 3.640 3.689 3.634 3.814 0.174 8 0 "[ . 1 . 2]" 1
1608 1 122 MET HB3 1 122 MET ME . . 2.400 2.010 1.954 2.061 . 0 0 "[ . 1 . 2]" 1
1609 1 122 MET HB3 1 123 LEU H . . 3.910 2.905 2.583 3.126 . 0 0 "[ . 1 . 2]" 1
1610 1 122 MET HB3 1 123 LEU HA . . 4.740 4.537 4.328 4.730 . 0 0 "[ . 1 . 2]" 1
1611 1 122 MET ME 1 122 MET HG2 . . 3.320 2.927 2.486 3.414 0.094 19 0 "[ . 1 . 2]" 1
1612 1 122 MET ME 1 122 MET HG3 . . 3.530 2.989 2.445 3.419 . 0 0 "[ . 1 . 2]" 1
1613 1 122 MET ME 1 123 LEU H . . 4.380 3.951 3.676 4.236 . 0 0 "[ . 1 . 2]" 1
1614 1 122 MET ME 1 123 LEU MD1 . . 3.870 3.569 3.244 3.866 . 0 0 "[ . 1 . 2]" 1
1615 1 122 MET ME 1 123 LEU MD2 . . 3.970 2.859 2.427 3.188 . 0 0 "[ . 1 . 2]" 1
1616 1 122 MET ME 1 123 LEU HG . . 3.500 2.903 2.570 3.197 . 0 0 "[ . 1 . 2]" 1
1617 1 123 LEU H 1 123 LEU HB2 . . 3.830 2.448 2.393 2.516 . 0 0 "[ . 1 . 2]" 1
1618 1 123 LEU H 1 123 LEU MD1 . . 4.260 3.690 3.598 3.791 . 0 0 "[ . 1 . 2]" 1
1619 1 123 LEU H 1 123 LEU MD2 . . 4.020 3.612 3.431 3.763 . 0 0 "[ . 1 . 2]" 1
1620 1 123 LEU H 1 123 LEU HG . . 3.660 2.573 2.345 2.791 . 0 0 "[ . 1 . 2]" 1
1621 1 123 LEU H 1 124 SER H . . 3.300 2.545 2.459 2.615 . 0 0 "[ . 1 . 2]" 1
1622 1 123 LEU H 1 125 ALA H . . 4.580 4.525 4.110 4.674 0.094 12 0 "[ . 1 . 2]" 1
1623 1 123 LEU HA 1 123 LEU MD1 . . 4.420 3.873 3.837 3.906 . 0 0 "[ . 1 . 2]" 1
1624 1 123 LEU HA 1 123 LEU MD2 . . 3.150 2.069 2.006 2.204 . 0 0 "[ . 1 . 2]" 1
1625 1 123 LEU HB2 1 124 SER H . . 4.200 3.647 3.434 3.849 . 0 0 "[ . 1 . 2]" 1
1626 1 123 LEU HB3 1 123 LEU MD1 . . 3.180 2.413 2.353 2.456 . 0 0 "[ . 1 . 2]" 1
1627 1 123 LEU MD2 1 124 SER H . . 4.890 4.743 4.634 4.825 . 0 0 "[ . 1 . 2]" 1
1628 1 123 LEU HG 1 124 SER H . . 4.860 4.767 4.637 4.918 0.058 12 0 "[ . 1 . 2]" 1
1629 1 124 SER H 1 124 SER HB3 . . 3.670 3.158 2.558 3.737 0.067 8 0 "[ . 1 . 2]" 1
1630 1 124 SER H 1 124 SER HG . . 4.310 2.923 2.357 4.445 0.135 2 0 "[ . 1 . 2]" 1
1631 1 124 SER H 1 125 ALA H . . 3.080 2.295 1.904 2.432 . 0 0 "[ . 1 . 2]" 1
1632 1 124 SER H 1 125 ALA MB . . 4.550 4.444 3.707 4.647 0.097 5 0 "[ . 1 . 2]" 1
1633 1 124 SER HA 1 125 ALA MB . . 4.870 4.371 4.063 4.983 0.113 14 0 "[ . 1 . 2]" 1
1634 1 124 SER HB3 1 125 ALA H . . 4.430 3.450 1.845 4.298 . 0 0 "[ . 1 . 2]" 1
1635 1 125 ALA H 1 125 ALA MB . . 2.980 2.715 2.249 2.958 . 0 0 "[ . 1 . 2]" 1
1636 1 125 ALA H 1 126 ASP H . . 3.870 3.811 3.395 4.178 0.308 19 0 "[ . 1 . 2]" 1
1637 1 125 ALA HA 1 126 ASP H . . 2.690 2.151 2.120 2.189 . 0 0 "[ . 1 . 2]" 1
1638 1 125 ALA MB 1 126 ASP H . . 3.340 3.339 2.720 3.531 0.191 14 0 "[ . 1 . 2]" 1
1639 1 125 ALA MB 1 127 SER H . . 5.020 3.300 2.383 5.064 0.044 8 0 "[ . 1 . 2]" 1
1640 1 125 ALA MB 1 128 ALA H . . 4.740 3.888 2.473 4.755 0.015 8 0 "[ . 1 . 2]" 1
1641 1 126 ASP H 1 126 ASP HB2 . . 3.150 2.795 2.512 3.236 0.086 8 0 "[ . 1 . 2]" 1
1642 1 126 ASP H 1 126 ASP HB3 . . 3.060 2.623 2.423 3.055 . 0 0 "[ . 1 . 2]" 1
1643 1 126 ASP H 1 127 SER H . . 3.500 3.040 2.156 3.739 0.239 1 0 "[ . 1 . 2]" 1
1644 1 126 ASP HA 1 127 SER H . . 3.140 2.723 2.102 3.360 0.220 9 0 "[ . 1 . 2]" 1
1645 1 126 ASP HA 1 128 ALA H . . 4.810 3.470 2.870 4.256 . 0 0 "[ . 1 . 2]" 1
1646 1 126 ASP HB3 1 127 SER H . . 4.460 4.017 3.158 4.433 . 0 0 "[ . 1 . 2]" 1
1647 1 127 SER H 1 127 SER QB . . 2.920 2.750 2.477 3.268 0.348 1 0 "[ . 1 . 2]" 1
1648 1 127 SER H 1 128 ALA MB . . 5.150 3.959 3.225 4.529 . 0 0 "[ . 1 . 2]" 1
1649 1 127 SER HA 1 128 ALA H . . 3.310 3.171 2.857 3.459 0.149 3 0 "[ . 1 . 2]" 1
1650 1 127 SER HA 1 129 ASN H . . 4.840 4.188 3.082 4.878 0.038 11 0 "[ . 1 . 2]" 1
1651 1 127 SER QB 1 128 ALA H . . 3.740 3.459 2.774 3.807 0.067 20 0 "[ . 1 . 2]" 1
1652 1 127 SER QB 1 128 ALA HA . . 4.140 4.122 3.855 4.259 0.119 19 0 "[ . 1 . 2]" 1
1653 1 127 SER QB 1 128 ALA MB . . 4.890 4.272 3.630 4.758 . 0 0 "[ . 1 . 2]" 1
1654 1 127 SER QB 1 129 ASN H . . 5.190 4.548 4.105 5.019 . 0 0 "[ . 1 . 2]" 1
1655 1 128 ALA H 1 128 ALA MB . . 3.070 2.290 2.252 2.389 . 0 0 "[ . 1 . 2]" 1
1656 1 128 ALA HA 1 129 ASN H . . 3.310 2.504 2.167 3.212 . 0 0 "[ . 1 . 2]" 1
1657 1 128 ALA MB 1 129 ASN H . . 3.970 3.569 3.372 3.706 . 0 0 "[ . 1 . 2]" 1
1658 1 128 ALA MB 1 129 ASN HB3 . . 5.080 5.326 3.858 5.616 0.536 10 3 "[ * .- + . 2]" 1
1659 1 128 ALA MB 1 130 GLU H . . 5.290 4.967 4.090 5.398 0.108 19 0 "[ . 1 . 2]" 1
1660 1 129 ASN H 1 129 ASN HB2 . . 3.800 3.068 2.445 3.802 0.002 18 0 "[ . 1 . 2]" 1
1661 1 129 ASN H 1 129 ASN HB3 . . 3.340 2.788 2.424 3.724 0.384 13 0 "[ . 1 . 2]" 1
1662 1 129 ASN HA 1 130 GLU H . . 3.440 2.870 2.085 3.528 0.088 1 0 "[ . 1 . 2]" 1
1663 1 129 ASN HB2 1 129 ASN HD21 . . 3.670 2.921 2.192 3.478 . 0 0 "[ . 1 . 2]" 1
1664 1 129 ASN HB2 1 130 GLU H . . 4.070 3.855 3.088 4.283 0.213 13 0 "[ . 1 . 2]" 1
1665 1 129 ASN HB3 1 129 ASN HD21 . . 3.300 2.738 2.192 3.527 0.227 17 0 "[ . 1 . 2]" 1
1666 1 129 ASN HB3 1 129 ASN HD22 . . 4.040 3.714 3.467 4.082 0.042 11 0 "[ . 1 . 2]" 1
1667 1 129 ASN HB3 1 130 GLU H . . 4.220 3.386 2.121 4.198 . 0 0 "[ . 1 . 2]" 1
1668 1 130 GLU H 1 130 GLU HB2 . . 3.230 2.745 2.115 3.605 0.375 17 0 "[ . 1 . 2]" 1
1669 1 130 GLU H 1 130 GLU HB3 . . 3.610 3.121 2.467 3.631 0.021 9 0 "[ . 1 . 2]" 1
1670 1 130 GLU H 1 130 GLU HG2 . . 5.500 4.054 2.341 5.285 . 0 0 "[ . 1 . 2]" 1
1671 1 130 GLU HA 1 131 VAL H . . 2.690 2.198 2.120 2.371 . 0 0 "[ . 1 . 2]" 1
1672 1 130 GLU HB2 1 130 GLU HG2 . . 2.480 2.525 2.383 3.004 0.524 5 2 "[ + 1 . -]" 1
1673 1 130 GLU HB3 1 130 GLU HG2 . . 2.400 2.576 2.265 3.011 0.611 13 6 "[ * . * + -** 2]" 1
1674 1 130 GLU HB3 1 130 GLU HG3 . . 2.470 2.529 2.387 3.005 0.535 5 2 "[ + 1 . -]" 1
1675 1 131 VAL H 1 131 VAL HB . . 3.380 2.894 2.541 3.456 0.076 9 0 "[ . 1 . 2]" 1
1676 1 131 VAL H 1 131 VAL QG . . 3.680 2.243 1.855 3.282 . 0 0 "[ . 1 . 2]" 1
1677 1 131 VAL H 1 132 SER H . . 4.370 4.065 2.833 4.511 0.141 10 0 "[ . 1 . 2]" 1
1678 1 131 VAL HA 1 132 SER H . . 3.260 2.291 2.092 3.074 . 0 0 "[ . 1 . 2]" 1
1679 1 131 VAL HA 1 133 THR H . . 4.660 4.315 3.157 4.776 0.116 11 0 "[ . 1 . 2]" 1
1680 1 131 VAL QG 1 132 SER H . . 4.920 2.893 1.851 3.763 . 0 0 "[ . 1 . 2]" 1
1681 1 131 VAL QG 1 133 THR H . . 5.150 2.892 1.757 4.065 . 0 0 "[ . 1 . 2]" 1
1682 1 131 VAL QG 1 133 THR MG . . 3.920 3.001 1.827 4.129 0.209 8 0 "[ . 1 . 2]" 1
1683 1 132 SER HA 1 133 THR H . . 3.360 2.689 2.202 3.533 0.173 8 0 "[ . 1 . 2]" 1
1684 1 133 THR HA 1 133 THR HB . . 2.690 2.600 2.399 2.987 0.297 8 0 "[ . 1 . 2]" 1
stop_
save_