NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
440220 |
2k87   |
15723 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k87
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 2165
_Distance_constraint_stats_list.Viol_count 4668
_Distance_constraint_stats_list.Viol_total 7614.589
_Distance_constraint_stats_list.Viol_max 0.983
_Distance_constraint_stats_list.Viol_rms 0.0391
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0816
_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 2 TYR 7.452 0.578 6 1 "[ .+ 1 . 2]"
1 3 THR 2.771 0.260 13 0 "[ . 1 . 2]"
1 4 GLU 10.691 0.578 6 2 "[ .+ 1 - . 2]"
1 5 GLN 5.556 0.531 8 3 "[ . + 1 - .* 2]"
1 6 PRO 4.936 0.570 13 1 "[ . 1 + . 2]"
1 7 ILE 7.342 0.570 13 1 "[ . 1 + . 2]"
1 8 ASP 1.631 0.104 17 0 "[ . 1 . 2]"
1 9 LEU 7.258 0.110 17 0 "[ . 1 . 2]"
1 10 VAL 6.762 0.108 12 0 "[ . 1 . 2]"
1 11 PRO 11.621 0.512 9 1 "[ . +1 . 2]"
1 12 THR 6.004 0.188 12 0 "[ . 1 . 2]"
1 13 GLN 1.527 0.086 15 0 "[ . 1 . 2]"
1 14 PRO 3.824 0.416 17 0 "[ . 1 . 2]"
1 15 LEU 7.129 0.193 17 0 "[ . 1 . 2]"
1 16 PRO 5.426 0.235 19 0 "[ . 1 . 2]"
1 17 ASN 4.731 0.235 19 0 "[ . 1 . 2]"
1 18 ALA 2.898 0.104 7 0 "[ . 1 . 2]"
1 19 SER 5.987 0.469 6 0 "[ . 1 . 2]"
1 20 PHE 8.170 0.469 6 0 "[ . 1 . 2]"
1 21 ASP 3.826 0.897 11 1 "[ . 1+ . 2]"
1 22 ASN 3.377 0.983 18 1 "[ . 1 . + 2]"
1 23 PHE 2.971 0.109 20 0 "[ . 1 . 2]"
1 24 LYS 7.825 0.177 5 0 "[ . 1 . 2]"
1 25 LEU 6.420 0.393 14 0 "[ . 1 . 2]"
1 26 THR 3.185 0.332 14 0 "[ . 1 . 2]"
1 27 CYS 10.783 0.748 17 3 "[ . -1 * + 2]"
1 28 SER 4.967 0.384 9 0 "[ . 1 . 2]"
1 29 ASN 2.624 0.186 5 0 "[ . 1 . 2]"
1 30 THR 2.345 0.175 5 0 "[ . 1 . 2]"
1 31 LYS 4.272 0.135 20 0 "[ . 1 . 2]"
1 32 PHE 7.059 0.119 6 0 "[ . 1 . 2]"
1 33 ALA 5.207 0.669 15 1 "[ . 1 + 2]"
1 34 ASP 3.894 0.087 20 0 "[ . 1 . 2]"
1 35 ASP 3.456 0.118 7 0 "[ . 1 . 2]"
1 36 LEU 3.407 0.113 20 0 "[ . 1 . 2]"
1 37 ASN 5.934 0.089 8 0 "[ . 1 . 2]"
1 38 GLN 5.594 0.124 4 0 "[ . 1 . 2]"
1 39 MET 9.804 0.126 7 0 "[ . 1 . 2]"
1 40 THR 3.423 0.104 19 0 "[ . 1 . 2]"
1 41 GLY 0.120 0.042 5 0 "[ . 1 . 2]"
1 42 PHE 8.202 0.492 18 0 "[ . 1 . 2]"
1 43 THR 6.496 0.983 18 1 "[ . 1 . + 2]"
1 44 LYS 12.862 0.104 18 0 "[ . 1 . 2]"
1 45 PRO 5.370 0.098 19 0 "[ . 1 . 2]"
1 46 ALA 8.311 0.131 12 0 "[ . 1 . 2]"
1 47 SER 7.945 0.850 13 9 "[ * -.** 1 *+*. ** 2]"
1 48 ARG 8.771 0.850 13 9 "[ * -.** 1 *+*. ** 2]"
1 49 GLU 4.966 0.543 14 1 "[ . 1 +. 2]"
1 50 LEU 10.721 0.732 15 5 "[ * . * 1 -+ *]"
1 51 SER 5.356 0.106 12 0 "[ . 1 . 2]"
1 52 VAL 8.549 0.748 17 2 "[ . -1 . + 2]"
1 53 THR 4.765 0.705 4 1 "[ +. 1 . 2]"
1 54 PHE 9.337 0.616 3 1 "[ + . 1 . 2]"
1 55 PHE 10.209 0.982 12 3 "[ *. 1 + .- 2]"
1 56 PRO 6.840 0.982 12 3 "[ *. 1 + .- 2]"
1 57 ASP 2.822 0.616 3 1 "[ + . 1 . 2]"
1 58 LEU 1.396 0.090 6 0 "[ . 1 . 2]"
1 59 ASN 4.597 0.817 4 1 "[ +. 1 . 2]"
1 60 GLY 1.706 0.817 4 1 "[ +. 1 . 2]"
1 61 ASP 10.527 0.732 15 4 "[ * . * 1 + -]"
1 62 VAL 8.437 0.494 2 0 "[ . 1 . 2]"
1 63 VAL 6.369 0.316 3 0 "[ . 1 . 2]"
1 64 ALA 2.964 0.107 15 0 "[ . 1 . 2]"
1 65 ILE 3.499 0.101 3 0 "[ . 1 . 2]"
1 66 ASP 1.176 0.084 20 0 "[ . 1 . 2]"
1 67 TYR 6.817 0.399 3 0 "[ . 1 . 2]"
1 68 ARG 0.828 0.200 1 0 "[ . 1 . 2]"
1 69 HIS 0.913 0.094 12 0 "[ . 1 . 2]"
1 70 TYR 4.846 0.105 13 0 "[ . 1 . 2]"
1 71 SER 4.342 0.131 12 0 "[ . 1 . 2]"
1 72 ALA 2.535 0.105 13 0 "[ . 1 . 2]"
1 73 SER 4.433 0.609 9 2 "[ . -+1 . 2]"
1 74 PHE 13.221 0.609 9 2 "[ . -+1 . 2]"
1 75 LYS 12.250 0.530 5 1 "[ + 1 . 2]"
1 76 LYS 9.341 0.133 10 0 "[ . 1 . 2]"
1 77 GLY 0.567 0.086 16 0 "[ . 1 . 2]"
1 78 ALA 4.758 0.512 9 1 "[ . +1 . 2]"
1 79 LYS 11.127 0.188 12 0 "[ . 1 . 2]"
1 80 LEU 3.357 0.113 12 0 "[ . 1 . 2]"
1 81 LEU 5.768 0.406 3 0 "[ . 1 . 2]"
1 82 HIS 5.402 0.231 3 0 "[ . 1 . 2]"
1 83 LYS 7.493 0.406 3 0 "[ . 1 . 2]"
1 84 PRO 7.994 0.317 20 0 "[ . 1 . 2]"
1 85 ILE 7.012 0.125 16 0 "[ . 1 . 2]"
1 86 VAL 1.173 0.108 9 0 "[ . 1 . 2]"
1 87 TRP 9.657 0.392 16 0 "[ . 1 . 2]"
1 88 HIS 7.255 0.117 12 0 "[ . 1 . 2]"
1 89 ILE 13.737 0.717 16 4 "[ * .* 1 .+ *]"
1 90 ASN 12.837 0.717 16 4 "[ * .* 1 .+ *]"
1 91 GLN 2.598 0.169 2 0 "[ . 1 . 2]"
1 92 ALA 5.323 0.129 13 0 "[ . 1 . 2]"
1 93 THR 8.939 0.135 20 0 "[ . 1 . 2]"
1 94 THR 2.298 0.129 13 0 "[ . 1 . 2]"
1 95 LYS 7.185 0.563 9 3 "[ . +* - . 2]"
1 96 THR 0.266 0.079 5 0 "[ . 1 . 2]"
1 97 THR 11.552 0.324 13 0 "[ . 1 . 2]"
1 98 PHE 6.456 0.106 11 0 "[ . 1 . 2]"
1 99 LYS 4.487 0.089 13 0 "[ . 1 . 2]"
1 100 PRO 4.796 0.087 11 0 "[ . 1 . 2]"
1 101 ASN 7.426 0.108 9 0 "[ . 1 . 2]"
1 102 THR 7.622 0.124 11 0 "[ . 1 . 2]"
1 103 TRP 9.204 0.421 16 0 "[ . 1 . 2]"
1 104 CYS 2.247 0.372 17 0 "[ . 1 . 2]"
1 105 LEU 9.463 0.642 8 3 "[ . + 1 * -. 2]"
1 106 ARG 12.305 0.421 16 0 "[ . 1 . 2]"
1 107 CYS 1.981 0.372 17 0 "[ . 1 . 2]"
1 108 LEU 4.990 0.642 8 3 "[ . + 1 * -. 2]"
1 109 TRP 10.720 0.283 19 0 "[ . 1 . 2]"
1 110 SER 4.281 0.897 11 1 "[ . 1+ . 2]"
1 111 THR 2.433 0.111 17 0 "[ . 1 . 2]"
1 112 LYS 9.750 0.788 5 7 "[* +* * -* * 2]"
1 113 PRO 15.020 0.807 9 13 "[** *- +*** *** * *]"
1 114 VAL 10.704 0.807 9 6 "[ . +1-* *. * *]"
1 115 ASP 5.596 0.784 2 3 "[ + .- 1 . *]"
1 116 THR 2.278 0.706 6 1 "[ .+ 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 2 TYR HA 1 2 TYR HB3 . . 2.950 2.891 2.174 3.062 0.112 1 0 "[ . 1 . 2]" 1
2 1 2 TYR HA 1 2 TYR QD . . 3.180 2.638 2.161 3.321 0.141 20 0 "[ . 1 . 2]" 1
3 1 2 TYR HA 1 4 GLU H . . 4.690 3.938 3.146 4.747 0.057 17 0 "[ . 1 . 2]" 1
4 1 2 TYR HB3 1 3 THR H . . 4.300 3.724 2.146 4.560 0.260 13 0 "[ . 1 . 2]" 1
5 1 2 TYR HB3 1 4 GLU H . . 5.500 4.073 2.311 5.128 . 0 0 "[ . 1 . 2]" 1
6 1 2 TYR QD 1 4 GLU HA . . 4.620 4.138 3.243 4.715 0.095 2 0 "[ . 1 . 2]" 1
7 1 2 TYR QD 1 4 GLU HB3 . . 5.220 3.944 2.266 5.798 0.578 6 1 "[ .+ 1 . 2]" 1
8 1 2 TYR QE 1 4 GLU H . . 5.240 3.597 2.592 4.819 . 0 0 "[ . 1 . 2]" 1
9 1 2 TYR QE 1 4 GLU HA . . 4.460 3.685 2.189 4.557 0.097 19 0 "[ . 1 . 2]" 1
10 1 2 TYR QE 1 4 GLU HB2 . . 4.420 3.143 2.178 4.425 0.005 8 0 "[ . 1 . 2]" 1
11 1 2 TYR QE 1 4 GLU HB3 . . 4.140 3.516 2.163 4.515 0.375 6 0 "[ . 1 . 2]" 1
12 1 2 TYR QE 1 4 GLU QG . . 4.410 3.604 2.021 4.495 0.085 20 0 "[ . 1 . 2]" 1
13 1 3 THR H 1 3 THR HB . . 4.170 2.866 2.254 3.686 . 0 0 "[ . 1 . 2]" 1
14 1 3 THR H 1 3 THR MG . . 4.520 3.884 3.376 4.076 . 0 0 "[ . 1 . 2]" 1
15 1 3 THR H 1 4 GLU H . . 3.930 2.299 1.802 3.862 . 0 0 "[ . 1 . 2]" 1
16 1 3 THR H 1 4 GLU HA . . 4.530 4.271 3.765 4.611 0.081 9 0 "[ . 1 . 2]" 1
17 1 3 THR HA 1 4 GLU H . . 3.060 2.977 2.181 3.149 0.089 10 0 "[ . 1 . 2]" 1
18 1 3 THR HB 1 4 GLU H . . 4.010 3.968 3.698 4.099 0.089 8 0 "[ . 1 . 2]" 1
19 1 3 THR MG 1 4 GLU H . . 4.550 4.318 3.951 4.492 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLU H 1 4 GLU HB2 . . 3.700 2.764 1.955 3.759 0.059 18 0 "[ . 1 . 2]" 1
21 1 4 GLU H 1 4 GLU HB3 . . 3.440 2.984 2.326 3.792 0.352 1 0 "[ . 1 . 2]" 1
22 1 4 GLU H 1 4 GLU QG . . 3.950 3.641 2.028 4.031 0.081 5 0 "[ . 1 . 2]" 1
23 1 4 GLU HA 1 4 GLU HB2 . . 3.000 2.564 2.270 3.010 0.010 1 0 "[ . 1 . 2]" 1
24 1 4 GLU HA 1 4 GLU QG . . 3.360 2.524 2.089 3.404 0.044 8 0 "[ . 1 . 2]" 1
25 1 4 GLU HA 1 5 GLN H . . 2.680 2.461 2.170 2.763 0.083 14 0 "[ . 1 . 2]" 1
26 1 4 GLU HA 1 5 GLN HB2 . . 5.500 4.948 4.016 6.007 0.507 13 1 "[ . 1 + . 2]" 1
27 1 5 GLN H 1 5 GLN HB2 . . 3.150 2.716 2.094 3.681 0.531 8 2 "[ . + 1 .- 2]" 1
28 1 5 GLN H 1 5 GLN HB3 . . 3.600 3.267 2.586 3.677 0.077 3 0 "[ . 1 . 2]" 1
29 1 5 GLN H 1 5 GLN QG . . 3.960 3.149 2.059 4.051 0.091 3 0 "[ . 1 . 2]" 1
30 1 5 GLN H 1 6 PRO HD2 . . 5.500 4.887 4.347 5.169 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLN H 1 6 PRO HD3 . . 5.250 4.956 3.719 5.312 0.062 6 0 "[ . 1 . 2]" 1
32 1 5 GLN HA 1 5 GLN QG . . 3.740 2.653 2.170 3.518 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLN HA 1 6 PRO HD2 . . 3.020 2.526 2.221 2.951 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLN HA 1 6 PRO HD3 . . 2.850 2.446 2.119 2.781 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLN HA 1 6 PRO HG2 . . 5.190 4.662 4.430 5.042 . 0 0 "[ . 1 . 2]" 1
36 1 5 GLN HB2 1 6 PRO HD2 . . 3.980 3.529 2.140 4.049 0.069 12 0 "[ . 1 . 2]" 1
37 1 5 GLN HB3 1 6 PRO HD2 . . 3.920 3.063 2.204 4.008 0.088 3 0 "[ . 1 . 2]" 1
38 1 5 GLN QG 1 6 PRO HD2 . . 4.430 3.015 2.012 4.330 . 0 0 "[ . 1 . 2]" 1
39 1 6 PRO HA 1 7 ILE H . . 2.560 2.270 2.023 2.493 . 0 0 "[ . 1 . 2]" 1
40 1 6 PRO HA 1 7 ILE HA . . 4.130 4.211 4.164 4.234 0.104 11 0 "[ . 1 . 2]" 1
41 1 6 PRO HA 1 7 ILE HB . . 4.800 4.739 4.596 4.871 0.071 3 0 "[ . 1 . 2]" 1
42 1 6 PRO HA 1 7 ILE HG12 . . 5.150 4.918 4.296 5.720 0.570 13 1 "[ . 1 + . 2]" 1
43 1 6 PRO HA 1 8 ASP H . . 5.500 4.962 4.710 5.255 . 0 0 "[ . 1 . 2]" 1
44 1 6 PRO HA 1 9 LEU HB2 . . 4.560 4.527 4.173 4.645 0.085 18 0 "[ . 1 . 2]" 1
45 1 6 PRO HB2 1 7 ILE H . . 3.980 2.810 2.449 3.541 . 0 0 "[ . 1 . 2]" 1
46 1 6 PRO HB2 1 9 LEU HB3 . . 4.970 2.566 2.101 3.708 . 0 0 "[ . 1 . 2]" 1
47 1 6 PRO HB2 1 9 LEU QD . . 4.780 3.115 2.496 3.437 . 0 0 "[ . 1 . 2]" 1
48 1 6 PRO HB3 1 7 ILE H . . 4.280 3.675 3.451 4.051 . 0 0 "[ . 1 . 2]" 1
49 1 6 PRO HB3 1 9 LEU HB2 . . 4.640 4.041 3.478 4.386 . 0 0 "[ . 1 . 2]" 1
50 1 6 PRO HB3 1 9 LEU QD . . 5.210 3.845 3.321 4.203 . 0 0 "[ . 1 . 2]" 1
51 1 6 PRO HG2 1 7 ILE H . . 5.250 4.426 4.155 4.819 . 0 0 "[ . 1 . 2]" 1
52 1 6 PRO HG2 1 9 LEU H . . 5.280 2.944 2.295 3.451 . 0 0 "[ . 1 . 2]" 1
53 1 6 PRO HG2 1 9 LEU QD . . 5.200 4.579 3.923 4.970 . 0 0 "[ . 1 . 2]" 1
54 1 6 PRO HG3 1 7 ILE H . . 5.500 5.228 4.992 5.580 0.080 3 0 "[ . 1 . 2]" 1
55 1 6 PRO HG3 1 9 LEU QD . . 5.500 4.521 3.563 5.026 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE H 1 7 ILE HB . . 3.260 2.508 2.335 2.913 . 0 0 "[ . 1 . 2]" 1
57 1 7 ILE H 1 7 ILE MD . . 4.900 3.235 1.800 3.839 . 0 0 "[ . 1 . 2]" 1
58 1 7 ILE H 1 7 ILE HG12 . . 3.650 3.528 3.138 3.912 0.262 13 0 "[ . 1 . 2]" 1
59 1 7 ILE H 1 7 ILE HG13 . . 3.830 2.341 1.822 3.430 . 0 0 "[ . 1 . 2]" 1
60 1 7 ILE H 1 7 ILE MG . . 4.040 3.761 3.688 3.832 . 0 0 "[ . 1 . 2]" 1
61 1 7 ILE H 1 9 LEU QD . . 4.930 3.769 3.400 4.429 . 0 0 "[ . 1 . 2]" 1
62 1 7 ILE HA 1 7 ILE MD . . 4.340 3.822 3.248 4.032 . 0 0 "[ . 1 . 2]" 1
63 1 7 ILE HA 1 7 ILE HG12 . . 3.880 2.833 2.382 3.815 . 0 0 "[ . 1 . 2]" 1
64 1 7 ILE HA 1 7 ILE HG13 . . 4.120 2.939 2.387 3.175 . 0 0 "[ . 1 . 2]" 1
65 1 7 ILE HA 1 7 ILE MG . . 3.390 2.425 2.196 2.614 . 0 0 "[ . 1 . 2]" 1
66 1 7 ILE HA 1 8 ASP H . . 2.630 2.235 2.027 2.470 . 0 0 "[ . 1 . 2]" 1
67 1 7 ILE HA 1 8 ASP HA . . 4.570 4.396 4.208 4.578 0.008 10 0 "[ . 1 . 2]" 1
68 1 7 ILE HA 1 8 ASP QB . . 4.240 3.992 3.853 4.130 . 0 0 "[ . 1 . 2]" 1
69 1 7 ILE HA 1 9 LEU H . . 4.130 4.056 3.840 4.169 0.039 1 0 "[ . 1 . 2]" 1
70 1 7 ILE HA 1 80 LEU QD . . 4.230 4.168 4.008 4.256 0.026 18 0 "[ . 1 . 2]" 1
71 1 7 ILE HB 1 8 ASP H . . 4.620 4.492 4.326 4.576 . 0 0 "[ . 1 . 2]" 1
72 1 7 ILE MD 1 7 ILE MG . . 3.440 2.296 2.032 3.275 . 0 0 "[ . 1 . 2]" 1
73 1 7 ILE MD 1 55 PHE QD . . 5.500 3.000 2.335 4.531 . 0 0 "[ . 1 . 2]" 1
74 1 7 ILE MD 1 55 PHE QE . . 4.670 3.124 2.262 4.765 0.095 13 0 "[ . 1 . 2]" 1
75 1 7 ILE MD 1 65 ILE HA . . 5.500 4.829 4.140 5.594 0.094 3 0 "[ . 1 . 2]" 1
76 1 7 ILE MD 1 65 ILE MD . . 5.500 2.796 2.188 3.547 . 0 0 "[ . 1 . 2]" 1
77 1 7 ILE MD 1 65 ILE MG . . 4.140 3.160 2.273 4.006 . 0 0 "[ . 1 . 2]" 1
78 1 7 ILE HG12 1 7 ILE MG . . 3.630 2.303 2.152 2.451 . 0 0 "[ . 1 . 2]" 1
79 1 7 ILE MG 1 8 ASP H . . 4.680 3.601 3.122 3.837 . 0 0 "[ . 1 . 2]" 1
80 1 7 ILE MG 1 8 ASP HA . . 4.960 4.911 4.638 5.064 0.104 17 0 "[ . 1 . 2]" 1
81 1 7 ILE MG 1 8 ASP QB . . 5.500 3.295 2.702 3.658 . 0 0 "[ . 1 . 2]" 1
82 1 7 ILE MG 1 9 LEU H . . 4.500 4.585 4.483 4.610 0.110 17 0 "[ . 1 . 2]" 1
83 1 7 ILE MG 1 55 PHE QE . . 4.510 2.364 2.094 2.987 . 0 0 "[ . 1 . 2]" 1
84 1 7 ILE MG 1 80 LEU QD . . 3.960 2.106 1.864 2.667 . 0 0 "[ . 1 . 2]" 1
85 1 8 ASP H 1 8 ASP QB . . 3.440 2.862 2.605 3.167 . 0 0 "[ . 1 . 2]" 1
86 1 8 ASP H 1 9 LEU H . . 4.020 2.921 2.585 3.176 . 0 0 "[ . 1 . 2]" 1
87 1 8 ASP H 1 80 LEU QD . . 4.490 4.209 3.830 4.496 0.006 18 0 "[ . 1 . 2]" 1
88 1 8 ASP HA 1 9 LEU H . . 2.900 2.909 2.563 2.988 0.088 12 0 "[ . 1 . 2]" 1
89 1 8 ASP HA 1 80 LEU QD . . 5.260 4.381 3.853 5.057 . 0 0 "[ . 1 . 2]" 1
90 1 8 ASP QB 1 9 LEU H . . 4.480 3.852 3.685 3.960 . 0 0 "[ . 1 . 2]" 1
91 1 8 ASP QB 1 80 LEU QD . . 4.460 2.538 1.832 3.587 . 0 0 "[ . 1 . 2]" 1
92 1 8 ASP QB 1 80 LEU HG . . 4.360 3.273 2.308 4.012 . 0 0 "[ . 1 . 2]" 1
93 1 8 ASP QB 1 81 LEU H . . 4.450 2.785 2.288 3.222 . 0 0 "[ . 1 . 2]" 1
94 1 8 ASP QB 1 81 LEU HA . . 4.980 3.199 2.372 4.241 . 0 0 "[ . 1 . 2]" 1
95 1 8 ASP QB 1 81 LEU HB2 . . 4.400 3.185 2.759 4.343 . 0 0 "[ . 1 . 2]" 1
96 1 8 ASP QB 1 81 LEU QD . . 4.090 2.930 2.248 3.783 . 0 0 "[ . 1 . 2]" 1
97 1 8 ASP QB 1 81 LEU HG . . 4.750 4.120 2.158 4.621 . 0 0 "[ . 1 . 2]" 1
98 1 9 LEU H 1 9 LEU HB2 . . 3.790 2.193 2.019 2.389 . 0 0 "[ . 1 . 2]" 1
99 1 9 LEU H 1 9 LEU HB3 . . 3.480 2.920 2.715 3.543 0.063 18 0 "[ . 1 . 2]" 1
100 1 9 LEU H 1 9 LEU QD . . 4.230 3.636 3.401 3.798 . 0 0 "[ . 1 . 2]" 1
101 1 9 LEU H 1 10 VAL H . . 4.840 4.500 4.409 4.577 . 0 0 "[ . 1 . 2]" 1
102 1 9 LEU H 1 10 VAL MG1 . . 5.030 4.498 3.747 5.094 0.064 12 0 "[ . 1 . 2]" 1
103 1 9 LEU H 1 10 VAL MG2 . . 5.070 4.730 4.157 5.048 . 0 0 "[ . 1 . 2]" 1
104 1 9 LEU H 1 69 HIS HD2 . . 5.170 5.118 4.704 5.264 0.094 12 0 "[ . 1 . 2]" 1
105 1 9 LEU H 1 74 PHE QE . . 5.230 5.322 5.288 5.340 0.110 12 0 "[ . 1 . 2]" 1
106 1 9 LEU HA 1 9 LEU QD . . 3.040 2.242 2.055 2.717 . 0 0 "[ . 1 . 2]" 1
107 1 9 LEU HA 1 9 LEU HG . . 4.080 2.565 2.119 3.067 . 0 0 "[ . 1 . 2]" 1
108 1 9 LEU HA 1 10 VAL H . . 2.830 2.116 2.045 2.205 . 0 0 "[ . 1 . 2]" 1
109 1 9 LEU HA 1 10 VAL MG1 . . 4.400 4.113 3.557 4.497 0.097 3 0 "[ . 1 . 2]" 1
110 1 9 LEU HA 1 10 VAL MG2 . . 3.820 3.235 3.000 3.563 . 0 0 "[ . 1 . 2]" 1
111 1 9 LEU HA 1 79 LYS H . . 4.640 4.527 4.293 4.706 0.066 1 0 "[ . 1 . 2]" 1
112 1 9 LEU HB2 1 9 LEU QD . . 3.270 2.196 2.063 2.311 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU HB2 1 10 VAL H . . 4.480 4.338 4.130 4.440 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU HB2 1 74 PHE QE . . 4.800 4.536 3.646 4.869 0.069 17 0 "[ . 1 . 2]" 1
115 1 9 LEU HB3 1 10 VAL H . . 4.350 3.743 2.954 4.088 . 0 0 "[ . 1 . 2]" 1
116 1 9 LEU HB3 1 74 PHE QE . . 4.110 3.138 2.335 3.437 . 0 0 "[ . 1 . 2]" 1
117 1 9 LEU QD 1 10 VAL H . . 3.670 2.470 1.787 3.271 . 0 0 "[ . 1 . 2]" 1
118 1 9 LEU QD 1 10 VAL MG2 . . 4.640 3.867 3.557 4.399 . 0 0 "[ . 1 . 2]" 1
119 1 9 LEU QD 1 69 HIS H . . 5.500 4.849 4.488 5.304 . 0 0 "[ . 1 . 2]" 1
120 1 9 LEU QD 1 69 HIS HA . . 5.470 4.319 3.978 4.852 . 0 0 "[ . 1 . 2]" 1
121 1 9 LEU QD 1 69 HIS HB2 . . 4.220 3.153 2.545 3.736 . 0 0 "[ . 1 . 2]" 1
122 1 9 LEU QD 1 69 HIS HB3 . . 3.820 2.314 2.091 2.706 . 0 0 "[ . 1 . 2]" 1
123 1 9 LEU QD 1 69 HIS HD2 . . 5.030 2.577 2.101 3.327 . 0 0 "[ . 1 . 2]" 1
124 1 9 LEU QD 1 70 TYR HA . . 5.500 4.331 3.915 4.704 . 0 0 "[ . 1 . 2]" 1
125 1 9 LEU QD 1 74 PHE QD . . 5.030 3.094 2.422 3.553 . 0 0 "[ . 1 . 2]" 1
126 1 9 LEU QD 1 74 PHE QE . . 3.830 2.546 2.136 2.898 . 0 0 "[ . 1 . 2]" 1
127 1 9 LEU QD 1 78 ALA MB . . 3.490 2.263 1.853 2.976 . 0 0 "[ . 1 . 2]" 1
128 1 9 LEU QD 1 80 LEU H . . 5.500 4.358 3.817 5.005 . 0 0 "[ . 1 . 2]" 1
129 1 9 LEU QD 1 80 LEU HA . . 4.210 3.206 2.241 4.039 . 0 0 "[ . 1 . 2]" 1
130 1 9 LEU QD 1 80 LEU QB . . 4.620 3.749 2.945 4.428 . 0 0 "[ . 1 . 2]" 1
131 1 9 LEU QD 1 85 ILE H . . 5.500 5.076 4.835 5.446 . 0 0 "[ . 1 . 2]" 1
132 1 9 LEU QD 1 85 ILE MD . . 3.940 2.194 2.065 2.356 . 0 0 "[ . 1 . 2]" 1
133 1 9 LEU QD 1 87 TRP HH2 . . 3.320 2.078 1.949 2.288 . 0 0 "[ . 1 . 2]" 1
134 1 9 LEU QD 1 87 TRP HZ2 . . 4.190 3.436 3.123 3.734 . 0 0 "[ . 1 . 2]" 1
135 1 9 LEU QD 1 87 TRP HZ3 . . 4.580 2.773 2.348 3.343 . 0 0 "[ . 1 . 2]" 1
136 1 9 LEU HG 1 10 VAL H . . 4.870 3.381 2.686 4.747 . 0 0 "[ . 1 . 2]" 1
137 1 9 LEU HG 1 74 PHE QE . . 5.070 4.206 2.584 5.092 0.022 14 0 "[ . 1 . 2]" 1
138 1 9 LEU HG 1 78 ALA MB . . 4.770 3.608 2.517 4.855 0.085 18 0 "[ . 1 . 2]" 1
139 1 10 VAL H 1 10 VAL HB . . 3.850 3.769 3.705 3.885 0.035 5 0 "[ . 1 . 2]" 1
140 1 10 VAL H 1 10 VAL MG1 . . 3.820 3.479 3.226 3.762 . 0 0 "[ . 1 . 2]" 1
141 1 10 VAL H 1 10 VAL MG2 . . 3.090 2.350 2.145 2.513 . 0 0 "[ . 1 . 2]" 1
142 1 10 VAL H 1 11 PRO HD2 . . 5.390 5.095 4.845 5.361 . 0 0 "[ . 1 . 2]" 1
143 1 10 VAL H 1 11 PRO HD3 . . 5.500 4.507 4.260 4.674 . 0 0 "[ . 1 . 2]" 1
144 1 10 VAL H 1 74 PHE QE . . 5.500 3.588 3.282 4.037 . 0 0 "[ . 1 . 2]" 1
145 1 10 VAL H 1 79 LYS QB . . 5.500 4.989 4.691 5.514 0.014 12 0 "[ . 1 . 2]" 1
146 1 10 VAL HA 1 10 VAL MG1 . . 3.170 2.159 2.106 2.205 . 0 0 "[ . 1 . 2]" 1
147 1 10 VAL HA 1 10 VAL MG2 . . 3.490 3.185 3.126 3.264 . 0 0 "[ . 1 . 2]" 1
148 1 10 VAL HA 1 11 PRO HD2 . . 3.210 2.601 2.240 2.970 . 0 0 "[ . 1 . 2]" 1
149 1 10 VAL HA 1 11 PRO HD3 . . 3.000 2.063 1.906 2.182 . 0 0 "[ . 1 . 2]" 1
150 1 10 VAL HA 1 11 PRO HG3 . . 4.320 4.228 3.800 4.379 0.059 18 0 "[ . 1 . 2]" 1
151 1 10 VAL HA 1 74 PHE QE . . 3.850 2.719 2.319 3.168 . 0 0 "[ . 1 . 2]" 1
152 1 10 VAL HA 1 79 LYS QE . . 4.780 4.859 4.660 4.887 0.107 10 0 "[ . 1 . 2]" 1
153 1 10 VAL HB 1 11 PRO HD2 . . 3.460 3.083 2.797 3.247 . 0 0 "[ . 1 . 2]" 1
154 1 10 VAL HB 1 79 LYS H . . 4.800 4.800 4.594 4.878 0.078 13 0 "[ . 1 . 2]" 1
155 1 10 VAL MG1 1 11 PRO HD2 . . 3.540 3.189 2.427 3.612 0.072 5 0 "[ . 1 . 2]" 1
156 1 10 VAL MG1 1 11 PRO HD3 . . 3.740 3.430 2.906 3.834 0.094 18 0 "[ . 1 . 2]" 1
157 1 10 VAL MG1 1 11 PRO HG2 . . 5.390 5.104 4.357 5.475 0.085 5 0 "[ . 1 . 2]" 1
158 1 10 VAL MG1 1 74 PHE QE . . 5.250 4.295 3.940 4.551 . 0 0 "[ . 1 . 2]" 1
159 1 10 VAL MG2 1 11 PRO HD2 . . 4.390 4.463 4.245 4.498 0.108 11 0 "[ . 1 . 2]" 1
160 1 10 VAL MG2 1 11 PRO HD3 . . 4.700 4.716 4.512 4.795 0.095 17 0 "[ . 1 . 2]" 1
161 1 10 VAL MG2 1 74 PHE QE . . 5.350 4.814 4.575 5.176 . 0 0 "[ . 1 . 2]" 1
162 1 10 VAL MG2 1 79 LYS QB . . 3.950 3.722 3.046 4.058 0.108 12 0 "[ . 1 . 2]" 1
163 1 10 VAL MG2 1 79 LYS HD2 . . 3.770 3.266 2.027 3.840 0.070 10 0 "[ . 1 . 2]" 1
164 1 10 VAL MG2 1 79 LYS QE . . 3.520 1.995 1.841 2.216 . 0 0 "[ . 1 . 2]" 1
165 1 10 VAL MG2 1 79 LYS HG2 . . 4.270 3.560 2.649 4.225 . 0 0 "[ . 1 . 2]" 1
166 1 10 VAL MG2 1 80 LEU H . . 4.830 4.360 3.858 4.892 0.062 16 0 "[ . 1 . 2]" 1
167 1 11 PRO HA 1 12 THR H . . 2.970 2.336 2.182 2.468 . 0 0 "[ . 1 . 2]" 1
168 1 11 PRO HA 1 74 PHE QD . . 3.450 2.314 2.092 2.679 . 0 0 "[ . 1 . 2]" 1
169 1 11 PRO HA 1 78 ALA HA . . 3.730 2.051 1.950 2.239 . 0 0 "[ . 1 . 2]" 1
170 1 11 PRO HA 1 78 ALA MB . . 4.000 2.412 2.189 2.533 . 0 0 "[ . 1 . 2]" 1
171 1 11 PRO HA 1 79 LYS H . . 4.090 3.626 3.506 3.759 . 0 0 "[ . 1 . 2]" 1
172 1 11 PRO HB2 1 12 THR H . . 3.820 3.121 2.826 3.694 . 0 0 "[ . 1 . 2]" 1
173 1 11 PRO HB2 1 73 SER HB3 . . 5.380 5.070 3.891 5.454 0.074 10 0 "[ . 1 . 2]" 1
174 1 11 PRO HB2 1 74 PHE HA . . 4.240 3.666 2.833 4.302 0.062 14 0 "[ . 1 . 2]" 1
175 1 11 PRO HB2 1 74 PHE QD . . 3.880 3.981 3.870 4.360 0.480 20 0 "[ . 1 . 2]" 1
176 1 11 PRO HB2 1 74 PHE QE . . 5.350 5.302 4.983 5.515 0.165 20 0 "[ . 1 . 2]" 1
177 1 11 PRO HB2 1 78 ALA HA . . 4.420 4.543 4.481 4.932 0.512 9 1 "[ . +1 . 2]" 1
178 1 11 PRO HB2 1 78 ALA MB . . 5.380 4.635 4.396 4.910 . 0 0 "[ . 1 . 2]" 1
179 1 11 PRO HB3 1 12 THR H . . 3.960 3.427 3.059 4.024 0.064 11 0 "[ . 1 . 2]" 1
180 1 11 PRO HB3 1 73 SER HB3 . . 5.500 4.310 2.838 4.873 . 0 0 "[ . 1 . 2]" 1
181 1 11 PRO HB3 1 74 PHE H . . 5.320 4.364 3.842 4.941 . 0 0 "[ . 1 . 2]" 1
182 1 11 PRO HB3 1 74 PHE HA . . 4.740 2.162 1.978 2.541 . 0 0 "[ . 1 . 2]" 1
183 1 11 PRO HB3 1 78 ALA MB . . 5.500 3.577 3.412 3.829 . 0 0 "[ . 1 . 2]" 1
184 1 11 PRO HD2 1 74 PHE QE . . 4.370 3.966 3.831 4.327 . 0 0 "[ . 1 . 2]" 1
185 1 11 PRO HD3 1 74 PHE QE . . 3.950 2.383 2.119 2.912 . 0 0 "[ . 1 . 2]" 1
186 1 11 PRO HG2 1 12 THR H . . 5.460 5.131 4.779 5.515 0.055 10 0 "[ . 1 . 2]" 1
187 1 11 PRO HG2 1 73 SER HB2 . . 4.510 4.510 4.010 4.588 0.078 11 0 "[ . 1 . 2]" 1
188 1 11 PRO HG2 1 73 SER HB3 . . 4.370 3.740 2.377 4.432 0.062 19 0 "[ . 1 . 2]" 1
189 1 11 PRO HG2 1 74 PHE QD . . 4.740 4.333 3.905 4.817 0.077 20 0 "[ . 1 . 2]" 1
190 1 11 PRO HG2 1 74 PHE QE . . 4.960 4.673 4.116 5.044 0.084 16 0 "[ . 1 . 2]" 1
191 1 11 PRO HG2 1 78 ALA MB . . 5.460 5.489 5.316 5.563 0.103 16 0 "[ . 1 . 2]" 1
192 1 11 PRO HG3 1 73 SER HA . . 4.840 4.237 3.756 4.511 . 0 0 "[ . 1 . 2]" 1
193 1 11 PRO HG3 1 73 SER HB2 . . 4.100 3.021 2.789 3.541 . 0 0 "[ . 1 . 2]" 1
194 1 11 PRO HG3 1 73 SER HB3 . . 3.870 2.723 1.984 3.286 . 0 0 "[ . 1 . 2]" 1
195 1 11 PRO HG3 1 74 PHE QD . . 3.800 3.017 2.304 3.870 0.070 17 0 "[ . 1 . 2]" 1
196 1 11 PRO HG3 1 74 PHE QE . . 4.100 3.416 2.678 4.169 0.069 16 0 "[ . 1 . 2]" 1
197 1 12 THR H 1 12 THR HB . . 4.110 3.435 3.189 3.697 . 0 0 "[ . 1 . 2]" 1
198 1 12 THR H 1 12 THR MG . . 3.500 2.667 2.329 3.012 . 0 0 "[ . 1 . 2]" 1
199 1 12 THR H 1 13 GLN H . . 4.860 4.194 4.076 4.316 . 0 0 "[ . 1 . 2]" 1
200 1 12 THR H 1 74 PHE HA . . 5.090 4.352 3.799 4.970 . 0 0 "[ . 1 . 2]" 1
201 1 12 THR H 1 78 ALA HA . . 3.380 2.350 1.789 2.638 . 0 0 "[ . 1 . 2]" 1
202 1 12 THR H 1 78 ALA MB . . 4.130 3.685 3.474 3.942 . 0 0 "[ . 1 . 2]" 1
203 1 12 THR H 1 79 LYS H . . 4.700 4.514 3.812 4.768 0.068 9 0 "[ . 1 . 2]" 1
204 1 12 THR H 1 79 LYS HG3 . . 5.490 5.197 4.371 5.565 0.075 4 0 "[ . 1 . 2]" 1
205 1 12 THR HA 1 12 THR HB . . 3.020 2.480 2.286 2.593 . 0 0 "[ . 1 . 2]" 1
206 1 12 THR HA 1 12 THR MG . . 3.730 3.263 3.179 3.313 . 0 0 "[ . 1 . 2]" 1
207 1 12 THR HA 1 13 GLN H . . 3.010 2.801 2.543 2.993 . 0 0 "[ . 1 . 2]" 1
208 1 12 THR HA 1 13 GLN QB . . 4.270 4.159 3.835 4.218 . 0 0 "[ . 1 . 2]" 1
209 1 12 THR HA 1 79 LYS QE . . 4.700 4.439 3.922 4.790 0.090 18 0 "[ . 1 . 2]" 1
210 1 12 THR HB 1 13 GLN H . . 3.810 3.612 3.281 3.747 . 0 0 "[ . 1 . 2]" 1
211 1 12 THR HB 1 79 LYS H . . 5.150 4.459 4.143 4.708 . 0 0 "[ . 1 . 2]" 1
212 1 12 THR HB 1 79 LYS QB . . 5.040 4.050 3.651 4.426 . 0 0 "[ . 1 . 2]" 1
213 1 12 THR HB 1 79 LYS HD2 . . 4.380 4.377 3.826 4.462 0.082 20 0 "[ . 1 . 2]" 1
214 1 12 THR HB 1 79 LYS HD3 . . 4.260 3.213 2.191 4.448 0.188 12 0 "[ . 1 . 2]" 1
215 1 12 THR HB 1 79 LYS QE . . 3.910 2.729 1.985 3.631 . 0 0 "[ . 1 . 2]" 1
216 1 12 THR HB 1 79 LYS HG2 . . 4.390 2.294 2.136 2.806 . 0 0 "[ . 1 . 2]" 1
217 1 12 THR HB 1 79 LYS HG3 . . 4.060 3.391 2.290 3.848 . 0 0 "[ . 1 . 2]" 1
218 1 12 THR MG 1 13 GLN H . . 3.470 2.665 2.277 3.541 0.071 4 0 "[ . 1 . 2]" 1
219 1 12 THR MG 1 13 GLN HA . . 4.870 3.812 3.516 4.584 . 0 0 "[ . 1 . 2]" 1
220 1 12 THR MG 1 78 ALA H . . 3.610 3.406 2.950 3.688 0.078 18 0 "[ . 1 . 2]" 1
221 1 12 THR MG 1 78 ALA HA . . 3.330 2.479 2.133 3.088 . 0 0 "[ . 1 . 2]" 1
222 1 12 THR MG 1 79 LYS H . . 3.910 3.345 2.736 3.984 0.074 15 0 "[ . 1 . 2]" 1
223 1 12 THR MG 1 79 LYS QB . . 3.330 2.619 2.044 3.349 0.019 19 0 "[ . 1 . 2]" 1
224 1 12 THR MG 1 79 LYS HD2 . . 4.180 4.098 3.256 4.367 0.187 7 0 "[ . 1 . 2]" 1
225 1 12 THR MG 1 79 LYS HD3 . . 4.270 3.093 2.387 4.195 . 0 0 "[ . 1 . 2]" 1
226 1 12 THR MG 1 79 LYS QE . . 3.840 3.619 3.276 3.964 0.124 1 0 "[ . 1 . 2]" 1
227 1 12 THR MG 1 79 LYS HG2 . . 3.710 2.049 1.982 2.118 . 0 0 "[ . 1 . 2]" 1
228 1 12 THR MG 1 79 LYS HG3 . . 3.310 3.287 2.348 3.422 0.112 10 0 "[ . 1 . 2]" 1
229 1 12 THR MG 1 107 CYS HB2 . . 4.830 4.371 3.686 4.940 0.110 20 0 "[ . 1 . 2]" 1
230 1 12 THR MG 1 107 CYS HB3 . . 5.500 4.751 4.209 5.414 . 0 0 "[ . 1 . 2]" 1
231 1 13 GLN H 1 13 GLN HG3 . . 5.500 3.801 2.543 4.303 . 0 0 "[ . 1 . 2]" 1
232 1 13 GLN H 1 79 LYS HG2 . . 5.350 5.397 5.258 5.436 0.086 15 0 "[ . 1 . 2]" 1
233 1 13 GLN HA 1 13 GLN HG2 . . 3.820 3.428 2.394 3.882 0.062 14 0 "[ . 1 . 2]" 1
234 1 13 GLN HA 1 13 GLN HG3 . . 4.140 3.334 2.159 4.214 0.074 5 0 "[ . 1 . 2]" 1
235 1 13 GLN HA 1 14 PRO QD . . 3.370 2.197 2.028 2.307 . 0 0 "[ . 1 . 2]" 1
236 1 13 GLN QB 1 14 PRO QD . . 3.300 2.069 1.917 2.312 . 0 0 "[ . 1 . 2]" 1
237 1 13 GLN HG3 1 14 PRO QD . . 5.500 3.763 2.923 4.283 . 0 0 "[ . 1 . 2]" 1
238 1 14 PRO HA 1 15 LEU H . . 2.850 2.288 2.109 2.559 . 0 0 "[ . 1 . 2]" 1
239 1 14 PRO HA 1 15 LEU QB . . 4.420 4.256 4.021 4.482 0.062 9 0 "[ . 1 . 2]" 1
240 1 14 PRO HA 1 15 LEU QD . . 5.500 3.735 2.852 4.698 . 0 0 "[ . 1 . 2]" 1
241 1 14 PRO HA 1 15 LEU HG . . 5.060 4.840 4.099 5.149 0.089 5 0 "[ . 1 . 2]" 1
242 1 14 PRO HA 1 107 CYS HA . . 3.180 2.819 2.188 3.250 0.070 11 0 "[ . 1 . 2]" 1
243 1 14 PRO HB2 1 15 LEU H . . 3.940 2.879 2.362 3.320 . 0 0 "[ . 1 . 2]" 1
244 1 14 PRO HB2 1 106 ARG HG2 . . 5.160 5.052 4.684 5.233 0.073 12 0 "[ . 1 . 2]" 1
245 1 14 PRO HB3 1 15 LEU H . . 3.790 3.632 3.025 3.867 0.077 10 0 "[ . 1 . 2]" 1
246 1 14 PRO HB3 1 106 ARG HB3 . . 4.690 2.521 2.211 3.184 . 0 0 "[ . 1 . 2]" 1
247 1 14 PRO HB3 1 106 ARG HG2 . . 4.810 4.868 4.489 5.226 0.416 17 0 "[ . 1 . 2]" 1
248 1 14 PRO HB3 1 106 ARG HG3 . . 5.400 5.013 4.667 5.430 0.030 9 0 "[ . 1 . 2]" 1
249 1 14 PRO HB3 1 107 CYS HA . . 4.250 3.475 2.770 4.583 0.333 17 0 "[ . 1 . 2]" 1
250 1 15 LEU H 1 15 LEU QB . . 2.970 2.332 2.082 2.989 0.019 11 0 "[ . 1 . 2]" 1
251 1 15 LEU H 1 15 LEU QD . . 3.980 2.584 1.963 3.395 . 0 0 "[ . 1 . 2]" 1
252 1 15 LEU H 1 15 LEU HG . . 3.350 2.981 2.087 3.426 0.076 12 0 "[ . 1 . 2]" 1
253 1 15 LEU H 1 16 PRO HD2 . . 5.140 4.903 4.677 5.099 . 0 0 "[ . 1 . 2]" 1
254 1 15 LEU H 1 107 CYS HA . . 4.090 3.394 2.429 4.171 0.081 11 0 "[ . 1 . 2]" 1
255 1 15 LEU H 1 111 THR MG . . 5.500 5.151 4.400 5.611 0.111 17 0 "[ . 1 . 2]" 1
256 1 15 LEU HA 1 15 LEU QD . . 4.010 2.658 2.032 3.435 . 0 0 "[ . 1 . 2]" 1
257 1 15 LEU HA 1 15 LEU HG . . 3.750 3.368 2.268 3.809 0.059 5 0 "[ . 1 . 2]" 1
258 1 15 LEU HA 1 16 PRO HB3 . . 4.950 4.839 4.638 5.013 0.063 3 0 "[ . 1 . 2]" 1
259 1 15 LEU HA 1 16 PRO HD2 . . 2.920 2.648 2.281 3.113 0.193 17 0 "[ . 1 . 2]" 1
260 1 15 LEU HA 1 16 PRO HD3 . . 3.070 2.205 2.085 2.524 . 0 0 "[ . 1 . 2]" 1
261 1 15 LEU HA 1 16 PRO QG . . 3.920 4.012 3.994 4.026 0.106 7 0 "[ . 1 . 2]" 1
262 1 15 LEU QB 1 15 LEU QD . . 2.830 1.941 1.852 2.062 . 0 0 "[ . 1 . 2]" 1
263 1 15 LEU QB 1 16 PRO HD2 . . 3.880 2.228 1.954 2.493 . 0 0 "[ . 1 . 2]" 1
264 1 15 LEU QB 1 16 PRO HD3 . . 3.450 3.205 2.530 3.547 0.097 3 0 "[ . 1 . 2]" 1
265 1 15 LEU QB 1 16 PRO QG . . 4.870 3.827 3.212 4.126 . 0 0 "[ . 1 . 2]" 1
266 1 15 LEU QB 1 18 ALA H . . 4.880 4.026 3.157 4.984 0.104 7 0 "[ . 1 . 2]" 1
267 1 15 LEU QD 1 16 PRO HD2 . . 3.580 2.265 2.087 2.675 . 0 0 "[ . 1 . 2]" 1
268 1 15 LEU QD 1 16 PRO HD3 . . 3.470 3.207 2.234 3.514 0.044 16 0 "[ . 1 . 2]" 1
269 1 15 LEU QD 1 16 PRO QG . . 5.120 3.533 2.992 3.992 . 0 0 "[ . 1 . 2]" 1
270 1 15 LEU QD 1 18 ALA HA . . 5.500 4.428 3.248 5.302 . 0 0 "[ . 1 . 2]" 1
271 1 15 LEU QD 1 18 ALA MB . . 4.100 3.080 2.195 3.790 . 0 0 "[ . 1 . 2]" 1
272 1 15 LEU QD 1 111 THR MG . . 3.620 2.259 1.848 2.963 . 0 0 "[ . 1 . 2]" 1
273 1 15 LEU HG 1 111 THR MG . . 4.860 3.746 2.634 4.944 0.084 15 0 "[ . 1 . 2]" 1
274 1 16 PRO HA 1 17 ASN H . . 3.000 2.366 2.092 2.947 . 0 0 "[ . 1 . 2]" 1
275 1 16 PRO HA 1 18 ALA H . . 4.020 3.585 3.251 4.102 0.082 6 0 "[ . 1 . 2]" 1
276 1 16 PRO HB2 1 17 ASN H . . 4.300 2.953 1.733 3.460 . 0 0 "[ . 1 . 2]" 1
277 1 16 PRO HB2 1 17 ASN QB . . 4.550 4.226 3.543 4.625 0.075 2 0 "[ . 1 . 2]" 1
278 1 16 PRO HB2 1 17 ASN HD21 . . 5.420 3.843 2.545 5.497 0.077 3 0 "[ . 1 . 2]" 1
279 1 16 PRO HB2 1 17 ASN HD22 . . 5.240 3.859 2.355 5.475 0.235 19 0 "[ . 1 . 2]" 1
280 1 16 PRO HB3 1 17 ASN H . . 4.180 3.754 3.264 4.082 . 0 0 "[ . 1 . 2]" 1
281 1 16 PRO HD2 1 17 ASN H . . 5.500 5.292 4.200 5.563 0.063 9 0 "[ . 1 . 2]" 1
282 1 16 PRO HD2 1 18 ALA MB . . 5.190 4.660 2.694 5.200 0.010 11 0 "[ . 1 . 2]" 1
283 1 16 PRO QG 1 17 ASN QB . . 4.780 4.643 4.148 4.878 0.098 5 0 "[ . 1 . 2]" 1
284 1 17 ASN H 1 17 ASN QB . . 3.510 3.274 2.518 3.576 0.066 2 0 "[ . 1 . 2]" 1
285 1 17 ASN H 1 17 ASN HD21 . . 5.500 4.164 2.632 5.504 0.004 6 0 "[ . 1 . 2]" 1
286 1 17 ASN H 1 17 ASN HD22 . . 5.330 4.811 3.753 5.556 0.226 16 0 "[ . 1 . 2]" 1
287 1 17 ASN H 1 18 ALA H . . 3.280 3.066 2.674 3.366 0.086 6 0 "[ . 1 . 2]" 1
288 1 17 ASN H 1 18 ALA MB . . 4.570 4.544 4.297 4.668 0.098 17 0 "[ . 1 . 2]" 1
289 1 17 ASN HA 1 17 ASN QB . . 2.790 2.190 2.108 2.311 . 0 0 "[ . 1 . 2]" 1
290 1 17 ASN HA 1 17 ASN HD22 . . 5.150 4.929 4.284 5.298 0.148 16 0 "[ . 1 . 2]" 1
291 1 17 ASN HA 1 18 ALA H . . 3.540 3.280 2.691 3.565 0.025 11 0 "[ . 1 . 2]" 1
292 1 17 ASN QB 1 17 ASN HD22 . . 3.300 3.333 3.207 3.467 0.167 19 0 "[ . 1 . 2]" 1
293 1 17 ASN QB 1 18 ALA H . . 4.170 3.499 2.152 4.076 . 0 0 "[ . 1 . 2]" 1
294 1 17 ASN QB 1 18 ALA MB . . 5.220 4.708 4.031 5.229 0.009 15 0 "[ . 1 . 2]" 1
295 1 17 ASN QB 1 111 THR MG . . 4.420 3.335 2.194 4.526 0.106 5 0 "[ . 1 . 2]" 1
296 1 17 ASN QB 1 112 LYS H . . 5.450 4.294 2.690 5.530 0.080 17 0 "[ . 1 . 2]" 1
297 1 18 ALA H 1 18 ALA MB . . 2.960 2.243 2.141 2.681 . 0 0 "[ . 1 . 2]" 1
298 1 18 ALA H 1 111 THR MG . . 4.380 2.966 2.345 3.597 . 0 0 "[ . 1 . 2]" 1
299 1 18 ALA HA 1 19 SER H . . 2.940 2.342 2.207 2.536 . 0 0 "[ . 1 . 2]" 1
300 1 18 ALA HA 1 110 SER H . . 4.770 4.577 3.912 4.850 0.080 6 0 "[ . 1 . 2]" 1
301 1 18 ALA HA 1 111 THR MG . . 3.410 2.466 2.149 2.825 . 0 0 "[ . 1 . 2]" 1
302 1 18 ALA MB 1 19 SER H . . 3.130 2.757 2.322 3.164 0.034 9 0 "[ . 1 . 2]" 1
303 1 18 ALA MB 1 109 TRP H . . 4.410 4.107 3.691 4.301 . 0 0 "[ . 1 . 2]" 1
304 1 18 ALA MB 1 109 TRP HA . . 4.840 4.374 4.078 4.809 . 0 0 "[ . 1 . 2]" 1
305 1 18 ALA MB 1 109 TRP HB2 . . 4.060 2.322 2.177 2.619 . 0 0 "[ . 1 . 2]" 1
306 1 18 ALA MB 1 109 TRP HB3 . . 4.060 2.556 2.254 2.933 . 0 0 "[ . 1 . 2]" 1
307 1 18 ALA MB 1 110 SER H . . 4.700 4.098 3.268 4.793 0.093 9 0 "[ . 1 . 2]" 1
308 1 18 ALA MB 1 111 THR HA . . 4.170 3.803 3.334 4.250 0.080 18 0 "[ . 1 . 2]" 1
309 1 18 ALA MB 1 111 THR HB . . 5.370 5.022 4.462 5.453 0.083 6 0 "[ . 1 . 2]" 1
310 1 18 ALA MB 1 111 THR MG . . 3.370 2.706 2.014 3.448 0.078 9 0 "[ . 1 . 2]" 1
311 1 19 SER H 1 19 SER HB3 . . 3.940 3.444 2.566 3.983 0.043 17 0 "[ . 1 . 2]" 1
312 1 19 SER H 1 20 PHE H . . 4.830 4.160 3.942 4.282 . 0 0 "[ . 1 . 2]" 1
313 1 19 SER H 1 20 PHE HA . . 4.450 4.525 4.482 4.539 0.089 14 0 "[ . 1 . 2]" 1
314 1 19 SER H 1 109 TRP H . . 5.500 5.574 5.555 5.589 0.089 17 0 "[ . 1 . 2]" 1
315 1 19 SER H 1 109 TRP HA . . 4.800 4.204 3.860 4.656 . 0 0 "[ . 1 . 2]" 1
316 1 19 SER H 1 109 TRP HB2 . . 4.810 3.673 3.335 3.859 . 0 0 "[ . 1 . 2]" 1
317 1 19 SER H 1 109 TRP HB3 . . 4.090 2.298 2.121 2.444 . 0 0 "[ . 1 . 2]" 1
318 1 19 SER H 1 110 SER H . . 4.380 3.032 2.405 3.552 . 0 0 "[ . 1 . 2]" 1
319 1 19 SER H 1 111 THR HA . . 4.160 3.487 2.642 4.015 . 0 0 "[ . 1 . 2]" 1
320 1 19 SER H 1 111 THR MG . . 4.300 4.272 3.935 4.401 0.101 20 0 "[ . 1 . 2]" 1
321 1 19 SER HA 1 20 PHE H . . 2.950 2.251 2.187 2.371 . 0 0 "[ . 1 . 2]" 1
322 1 19 SER HA 1 20 PHE HB2 . . 4.940 4.458 4.154 4.730 . 0 0 "[ . 1 . 2]" 1
323 1 19 SER HA 1 20 PHE HB3 . . 5.100 4.673 4.460 4.806 . 0 0 "[ . 1 . 2]" 1
324 1 19 SER HB2 1 20 PHE H . . 4.260 3.481 2.712 4.212 . 0 0 "[ . 1 . 2]" 1
325 1 19 SER HB3 1 20 PHE H . . 3.770 3.668 2.689 4.239 0.469 6 0 "[ . 1 . 2]" 1
326 1 20 PHE H 1 20 PHE HB2 . . 3.310 2.478 2.292 2.632 . 0 0 "[ . 1 . 2]" 1
327 1 20 PHE H 1 20 PHE HB3 . . 3.390 2.446 2.295 2.563 . 0 0 "[ . 1 . 2]" 1
328 1 20 PHE H 1 20 PHE QD . . 4.680 4.185 4.090 4.255 . 0 0 "[ . 1 . 2]" 1
329 1 20 PHE H 1 21 ASP H . . 5.200 4.593 4.263 4.683 . 0 0 "[ . 1 . 2]" 1
330 1 20 PHE H 1 21 ASP HA . . 5.500 5.579 5.563 5.597 0.097 2 0 "[ . 1 . 2]" 1
331 1 20 PHE H 1 109 TRP HA . . 5.060 5.005 4.699 5.144 0.084 17 0 "[ . 1 . 2]" 1
332 1 20 PHE H 1 109 TRP HB2 . . 5.150 5.228 5.150 5.244 0.094 2 0 "[ . 1 . 2]" 1
333 1 20 PHE H 1 109 TRP HE1 . . 5.500 4.756 4.009 5.290 . 0 0 "[ . 1 . 2]" 1
334 1 20 PHE HA 1 20 PHE QD . . 3.300 2.297 2.145 2.540 . 0 0 "[ . 1 . 2]" 1
335 1 20 PHE HA 1 20 PHE QE . . 4.970 4.502 4.394 4.629 . 0 0 "[ . 1 . 2]" 1
336 1 20 PHE HA 1 21 ASP H . . 3.100 2.379 1.891 2.715 . 0 0 "[ . 1 . 2]" 1
337 1 20 PHE HA 1 21 ASP HB2 . . 5.220 4.329 3.748 5.322 0.102 6 0 "[ . 1 . 2]" 1
338 1 20 PHE HA 1 109 TRP HA . . 4.470 2.850 2.592 3.098 . 0 0 "[ . 1 . 2]" 1
339 1 20 PHE HA 1 109 TRP HD1 . . 4.500 2.839 2.461 3.351 . 0 0 "[ . 1 . 2]" 1
340 1 20 PHE HA 1 109 TRP HE1 . . 5.490 3.793 3.515 4.428 . 0 0 "[ . 1 . 2]" 1
341 1 20 PHE HA 1 110 SER H . . 4.810 3.731 3.310 4.054 . 0 0 "[ . 1 . 2]" 1
342 1 20 PHE HB2 1 21 ASP H . . 4.890 3.980 3.774 4.351 . 0 0 "[ . 1 . 2]" 1
343 1 20 PHE HB2 1 109 TRP HD1 . . 4.220 3.759 3.493 4.098 . 0 0 "[ . 1 . 2]" 1
344 1 20 PHE HB2 1 109 TRP HE1 . . 5.500 2.787 2.430 3.041 . 0 0 "[ . 1 . 2]" 1
345 1 20 PHE HB3 1 21 ASP H . . 4.840 3.775 3.282 4.417 . 0 0 "[ . 1 . 2]" 1
346 1 20 PHE HB3 1 109 TRP HE1 . . 4.500 4.456 4.148 4.574 0.074 4 0 "[ . 1 . 2]" 1
347 1 20 PHE QD 1 21 ASP H . . 3.900 2.516 2.032 2.930 . 0 0 "[ . 1 . 2]" 1
348 1 20 PHE QD 1 40 THR MG . . 4.660 3.569 2.926 4.351 . 0 0 "[ . 1 . 2]" 1
349 1 20 PHE QD 1 109 TRP HA . . 5.100 3.715 3.173 4.039 . 0 0 "[ . 1 . 2]" 1
350 1 20 PHE QD 1 109 TRP HD1 . . 3.830 2.476 2.137 2.863 . 0 0 "[ . 1 . 2]" 1
351 1 20 PHE QD 1 109 TRP HE1 . . 3.930 2.971 2.360 3.503 . 0 0 "[ . 1 . 2]" 1
352 1 20 PHE QD 1 110 SER H . . 5.500 5.273 4.861 5.587 0.087 1 0 "[ . 1 . 2]" 1
353 1 20 PHE QE 1 40 THR MG . . 3.690 2.925 2.386 3.779 0.089 7 0 "[ . 1 . 2]" 1
354 1 20 PHE QE 1 109 TRP HE1 . . 4.950 4.510 3.920 4.947 . 0 0 "[ . 1 . 2]" 1
355 1 21 ASP H 1 21 ASP HB2 . . 3.920 3.120 2.353 3.707 . 0 0 "[ . 1 . 2]" 1
356 1 21 ASP H 1 23 PHE H . . 5.130 3.637 3.282 4.205 . 0 0 "[ . 1 . 2]" 1
357 1 21 ASP H 1 23 PHE QD . . 3.850 3.520 3.141 3.930 0.080 13 0 "[ . 1 . 2]" 1
358 1 21 ASP H 1 109 TRP HA . . 5.060 4.041 2.785 5.037 . 0 0 "[ . 1 . 2]" 1
359 1 21 ASP HA 1 22 ASN HB2 . . 5.450 4.698 4.392 5.056 . 0 0 "[ . 1 . 2]" 1
360 1 21 ASP HB2 1 110 SER H . . 5.240 3.906 2.801 5.318 0.078 11 0 "[ . 1 . 2]" 1
361 1 21 ASP HB2 1 110 SER HB2 . . 4.770 3.587 2.278 4.998 0.228 11 0 "[ . 1 . 2]" 1
362 1 21 ASP HB3 1 110 SER HB2 . . 4.620 4.060 2.876 5.517 0.897 11 1 "[ . 1+ . 2]" 1
363 1 22 ASN HA 1 22 ASN HD21 . . 4.900 3.075 2.227 4.316 . 0 0 "[ . 1 . 2]" 1
364 1 22 ASN HA 1 43 THR H . . 5.470 4.053 3.596 4.719 . 0 0 "[ . 1 . 2]" 1
365 1 22 ASN HB2 1 23 PHE H . . 4.990 4.327 3.857 4.639 . 0 0 "[ . 1 . 2]" 1
366 1 22 ASN HB2 1 46 ALA HA . . 4.700 4.492 3.990 4.785 0.085 7 0 "[ . 1 . 2]" 1
367 1 22 ASN HB2 1 47 SER H . . 4.870 3.407 2.679 4.244 . 0 0 "[ . 1 . 2]" 1
368 1 22 ASN HB3 1 22 ASN HD21 . . 3.510 2.477 2.084 3.727 0.217 18 0 "[ . 1 . 2]" 1
369 1 22 ASN HB3 1 22 ASN HD22 . . 4.070 3.526 3.411 3.816 . 0 0 "[ . 1 . 2]" 1
370 1 22 ASN HB3 1 23 PHE H . . 5.230 4.314 3.953 4.490 . 0 0 "[ . 1 . 2]" 1
371 1 22 ASN HB3 1 42 PHE QD . . 5.400 5.070 4.674 5.892 0.492 18 0 "[ . 1 . 2]" 1
372 1 22 ASN HB3 1 43 THR H . . 5.500 5.615 5.496 6.483 0.983 18 1 "[ . 1 . + 2]" 1
373 1 22 ASN HB3 1 46 ALA HA . . 4.470 2.845 2.304 4.440 . 0 0 "[ . 1 . 2]" 1
374 1 22 ASN HB3 1 47 SER H . . 4.280 2.145 1.760 3.264 . 0 0 "[ . 1 . 2]" 1
375 1 22 ASN HB3 1 47 SER HB2 . . 4.460 3.044 2.295 4.492 0.032 5 0 "[ . 1 . 2]" 1
376 1 23 PHE H 1 23 PHE QD . . 3.360 2.822 2.239 3.267 . 0 0 "[ . 1 . 2]" 1
377 1 23 PHE H 1 23 PHE QE . . 4.990 4.552 4.334 4.772 . 0 0 "[ . 1 . 2]" 1
378 1 23 PHE H 1 24 LYS H . . 5.370 4.577 4.456 4.681 . 0 0 "[ . 1 . 2]" 1
379 1 23 PHE H 1 48 ARG H . . 5.370 4.966 4.628 5.280 . 0 0 "[ . 1 . 2]" 1
380 1 23 PHE HA 1 23 PHE QD . . 3.810 3.763 3.713 3.807 . 0 0 "[ . 1 . 2]" 1
381 1 23 PHE HA 1 24 LYS H . . 3.170 2.204 2.109 2.332 . 0 0 "[ . 1 . 2]" 1
382 1 23 PHE HA 1 24 LYS HB2 . . 5.250 4.646 4.256 5.034 . 0 0 "[ . 1 . 2]" 1
383 1 23 PHE HA 1 46 ALA MB . . 4.310 3.230 2.868 3.764 . 0 0 "[ . 1 . 2]" 1
384 1 23 PHE HA 1 47 SER H . . 3.870 3.412 2.764 3.923 0.053 8 0 "[ . 1 . 2]" 1
385 1 23 PHE HA 1 48 ARG H . . 3.510 2.469 2.037 2.836 . 0 0 "[ . 1 . 2]" 1
386 1 23 PHE HA 1 48 ARG QG . . 4.570 2.430 1.961 3.469 . 0 0 "[ . 1 . 2]" 1
387 1 23 PHE QB 1 24 LYS H . . 3.580 2.840 2.534 3.216 . 0 0 "[ . 1 . 2]" 1
388 1 23 PHE QB 1 47 SER H . . 5.470 4.908 4.393 5.371 . 0 0 "[ . 1 . 2]" 1
389 1 23 PHE QB 1 48 ARG H . . 4.350 3.847 3.191 4.357 0.007 15 0 "[ . 1 . 2]" 1
390 1 23 PHE QB 1 48 ARG QD . . 2.550 2.383 2.011 2.600 0.050 13 0 "[ . 1 . 2]" 1
391 1 23 PHE QB 1 48 ARG QG . . 4.000 2.200 1.933 3.192 . 0 0 "[ . 1 . 2]" 1
392 1 23 PHE QB 1 50 LEU QD . . 3.580 2.681 1.886 3.380 . 0 0 "[ . 1 . 2]" 1
393 1 23 PHE QB 1 50 LEU HG . . 4.170 3.542 2.809 4.279 0.109 20 0 "[ . 1 . 2]" 1
394 1 23 PHE QD 1 24 LYS H . . 4.760 3.503 3.062 3.922 . 0 0 "[ . 1 . 2]" 1
395 1 23 PHE QD 1 24 LYS HA . . 4.310 3.496 2.861 3.901 . 0 0 "[ . 1 . 2]" 1
396 1 23 PHE QD 1 25 LEU H . . 4.500 4.031 3.444 4.405 . 0 0 "[ . 1 . 2]" 1
397 1 23 PHE QD 1 25 LEU HG . . 3.600 3.503 2.667 3.695 0.095 12 0 "[ . 1 . 2]" 1
398 1 23 PHE QD 1 50 LEU QD . . 3.600 2.617 2.182 3.575 . 0 0 "[ . 1 . 2]" 1
399 1 23 PHE QD 1 50 LEU HG . . 5.500 3.931 2.462 4.942 . 0 0 "[ . 1 . 2]" 1
400 1 23 PHE QD 1 108 LEU HB3 . . 5.390 4.246 3.388 4.829 . 0 0 "[ . 1 . 2]" 1
401 1 23 PHE QE 1 25 LEU HG . . 3.940 3.032 2.151 3.339 . 0 0 "[ . 1 . 2]" 1
402 1 23 PHE QE 1 50 LEU QD . . 4.380 3.253 2.445 4.101 . 0 0 "[ . 1 . 2]" 1
403 1 23 PHE QE 1 108 LEU HB2 . . 4.250 3.233 2.545 3.608 . 0 0 "[ . 1 . 2]" 1
404 1 23 PHE QE 1 108 LEU HB3 . . 4.050 3.128 2.548 3.552 . 0 0 "[ . 1 . 2]" 1
405 1 23 PHE QE 1 109 TRP HA . . 3.680 2.402 2.067 2.762 . 0 0 "[ . 1 . 2]" 1
406 1 23 PHE HZ 1 25 LEU HG . . 5.500 5.343 3.957 5.576 0.076 14 0 "[ . 1 . 2]" 1
407 1 23 PHE HZ 1 50 LEU QD . . 5.200 4.416 3.840 4.976 . 0 0 "[ . 1 . 2]" 1
408 1 23 PHE HZ 1 105 LEU HA . . 5.020 3.659 2.938 4.662 . 0 0 "[ . 1 . 2]" 1
409 1 23 PHE HZ 1 105 LEU QD . . 3.930 3.512 2.458 3.964 0.034 19 0 "[ . 1 . 2]" 1
410 1 23 PHE HZ 1 108 LEU HB2 . . 4.110 2.362 2.128 2.734 . 0 0 "[ . 1 . 2]" 1
411 1 23 PHE HZ 1 108 LEU HB3 . . 3.750 2.939 2.353 3.532 . 0 0 "[ . 1 . 2]" 1
412 1 23 PHE HZ 1 108 LEU QD . . 3.640 3.223 2.733 3.637 . 0 0 "[ . 1 . 2]" 1
413 1 23 PHE HZ 1 109 TRP HA . . 5.160 4.130 3.318 4.974 . 0 0 "[ . 1 . 2]" 1
414 1 23 PHE HZ 1 109 TRP HE1 . . 4.790 3.983 2.776 4.782 . 0 0 "[ . 1 . 2]" 1
415 1 24 LYS H 1 24 LYS HB2 . . 3.900 3.042 2.852 3.600 . 0 0 "[ . 1 . 2]" 1
416 1 24 LYS H 1 24 LYS HB3 . . 3.720 2.464 2.291 2.714 . 0 0 "[ . 1 . 2]" 1
417 1 24 LYS H 1 24 LYS HG3 . . 5.340 4.578 4.432 4.776 . 0 0 "[ . 1 . 2]" 1
418 1 24 LYS H 1 25 LEU H . . 5.130 4.420 4.327 4.521 . 0 0 "[ . 1 . 2]" 1
419 1 24 LYS H 1 46 ALA MB . . 3.830 2.630 2.329 3.231 . 0 0 "[ . 1 . 2]" 1
420 1 24 LYS H 1 47 SER H . . 5.010 4.633 4.001 5.079 0.069 5 0 "[ . 1 . 2]" 1
421 1 24 LYS H 1 48 ARG H . . 4.060 3.274 2.890 3.818 . 0 0 "[ . 1 . 2]" 1
422 1 24 LYS H 1 49 GLU H . . 4.980 4.696 4.241 5.061 0.081 12 0 "[ . 1 . 2]" 1
423 1 24 LYS H 1 49 GLU HA . . 3.470 2.932 2.319 3.358 . 0 0 "[ . 1 . 2]" 1
424 1 24 LYS H 1 49 GLU HG3 . . 5.500 4.030 3.395 4.914 . 0 0 "[ . 1 . 2]" 1
425 1 24 LYS H 1 50 LEU H . . 4.560 3.798 3.455 4.594 0.034 11 0 "[ . 1 . 2]" 1
426 1 24 LYS H 1 50 LEU QD . . 5.170 4.216 3.160 4.965 . 0 0 "[ . 1 . 2]" 1
427 1 24 LYS HA 1 24 LYS QE . . 5.200 4.362 3.871 5.092 . 0 0 "[ . 1 . 2]" 1
428 1 24 LYS HA 1 24 LYS HG3 . . 3.770 2.586 2.432 2.975 . 0 0 "[ . 1 . 2]" 1
429 1 24 LYS HA 1 25 LEU H . . 3.140 2.276 2.108 2.375 . 0 0 "[ . 1 . 2]" 1
430 1 24 LYS HA 1 25 LEU HA . . 5.060 4.480 4.346 4.530 . 0 0 "[ . 1 . 2]" 1
431 1 24 LYS HA 1 25 LEU QB . . 5.070 4.649 4.384 4.797 . 0 0 "[ . 1 . 2]" 1
432 1 24 LYS HA 1 37 ASN HD22 . . 5.110 4.072 3.638 4.374 . 0 0 "[ . 1 . 2]" 1
433 1 24 LYS HA 1 42 PHE QD . . 5.380 3.258 2.875 3.907 . 0 0 "[ . 1 . 2]" 1
434 1 24 LYS HA 1 46 ALA MB . . 4.530 3.723 3.483 3.938 . 0 0 "[ . 1 . 2]" 1
435 1 24 LYS HB2 1 24 LYS QE . . 4.850 3.707 3.322 4.169 . 0 0 "[ . 1 . 2]" 1
436 1 24 LYS HB2 1 25 LEU H . . 3.820 3.871 3.508 3.903 0.083 11 0 "[ . 1 . 2]" 1
437 1 24 LYS HB2 1 42 PHE QD . . 3.920 3.381 3.028 3.589 . 0 0 "[ . 1 . 2]" 1
438 1 24 LYS HB2 1 42 PHE QE . . 3.820 2.750 2.505 2.967 . 0 0 "[ . 1 . 2]" 1
439 1 24 LYS HB2 1 42 PHE HZ . . 4.250 3.154 2.685 3.817 . 0 0 "[ . 1 . 2]" 1
440 1 24 LYS HB2 1 46 ALA H . . 5.380 4.853 4.595 5.458 0.078 12 0 "[ . 1 . 2]" 1
441 1 24 LYS HB2 1 46 ALA HA . . 5.050 4.229 3.942 4.811 . 0 0 "[ . 1 . 2]" 1
442 1 24 LYS HB2 1 46 ALA MB . . 3.110 2.148 1.997 2.816 . 0 0 "[ . 1 . 2]" 1
443 1 24 LYS HB2 1 49 GLU HG2 . . 5.420 3.903 3.342 5.527 0.107 12 0 "[ . 1 . 2]" 1
444 1 24 LYS HB3 1 24 LYS QD . . 3.750 2.605 2.305 2.800 . 0 0 "[ . 1 . 2]" 1
445 1 24 LYS HB3 1 24 LYS QE . . 4.780 3.936 2.181 4.229 . 0 0 "[ . 1 . 2]" 1
446 1 24 LYS HB3 1 42 PHE QD . . 4.790 4.761 4.019 4.885 0.095 18 0 "[ . 1 . 2]" 1
447 1 24 LYS HB3 1 42 PHE QE . . 4.320 4.078 3.298 4.279 . 0 0 "[ . 1 . 2]" 1
448 1 24 LYS HB3 1 42 PHE HZ . . 5.410 4.425 3.506 5.085 . 0 0 "[ . 1 . 2]" 1
449 1 24 LYS HB3 1 46 ALA H . . 5.500 5.378 4.684 5.563 0.063 3 0 "[ . 1 . 2]" 1
450 1 24 LYS HB3 1 46 ALA MB . . 3.290 2.454 2.003 2.706 . 0 0 "[ . 1 . 2]" 1
451 1 24 LYS HB3 1 49 GLU HA . . 4.380 2.758 2.282 4.108 . 0 0 "[ . 1 . 2]" 1
452 1 24 LYS HB3 1 49 GLU HG2 . . 4.090 2.462 2.065 4.176 0.086 12 0 "[ . 1 . 2]" 1
453 1 24 LYS HB3 1 49 GLU HG3 . . 4.830 2.937 2.196 4.434 . 0 0 "[ . 1 . 2]" 1
454 1 24 LYS HB3 1 50 LEU H . . 5.050 4.284 3.857 5.115 0.065 12 0 "[ . 1 . 2]" 1
455 1 24 LYS QD 1 26 THR MG . . 3.850 2.923 2.441 3.933 0.083 1 0 "[ . 1 . 2]" 1
456 1 24 LYS QD 1 42 PHE QE . . 3.680 2.755 2.066 3.276 . 0 0 "[ . 1 . 2]" 1
457 1 24 LYS QD 1 42 PHE HZ . . 3.570 2.466 2.317 2.732 . 0 0 "[ . 1 . 2]" 1
458 1 24 LYS QD 1 46 ALA H . . 4.840 4.682 4.492 4.784 . 0 0 "[ . 1 . 2]" 1
459 1 24 LYS QD 1 49 GLU HG2 . . 4.600 2.726 2.127 4.154 . 0 0 "[ . 1 . 2]" 1
460 1 24 LYS QD 1 49 GLU HG3 . . 4.950 3.816 3.276 5.030 0.080 5 0 "[ . 1 . 2]" 1
461 1 24 LYS QE 1 24 LYS HG3 . . 3.430 2.253 1.939 3.154 . 0 0 "[ . 1 . 2]" 1
462 1 24 LYS QE 1 25 LEU H . . 5.500 3.784 3.325 4.590 . 0 0 "[ . 1 . 2]" 1
463 1 24 LYS QE 1 25 LEU QD . . 4.560 4.483 3.930 4.737 0.177 5 0 "[ . 1 . 2]" 1
464 1 24 LYS QE 1 26 THR HA . . 4.490 3.900 3.538 4.433 . 0 0 "[ . 1 . 2]" 1
465 1 24 LYS QE 1 26 THR HB . . 5.040 4.792 4.054 5.120 0.080 2 0 "[ . 1 . 2]" 1
466 1 24 LYS QE 1 26 THR MG . . 3.590 2.590 1.882 3.251 . 0 0 "[ . 1 . 2]" 1
467 1 24 LYS QE 1 37 ASN HD21 . . 4.660 3.405 2.613 4.641 . 0 0 "[ . 1 . 2]" 1
468 1 24 LYS QE 1 37 ASN HD22 . . 5.260 2.751 2.253 3.279 . 0 0 "[ . 1 . 2]" 1
469 1 24 LYS QE 1 42 PHE QE . . 3.840 2.754 2.070 3.978 0.138 5 0 "[ . 1 . 2]" 1
470 1 24 LYS QE 1 42 PHE HZ . . 4.270 3.883 3.251 4.359 0.089 6 0 "[ . 1 . 2]" 1
471 1 24 LYS QE 1 46 ALA MB . . 4.420 4.435 3.442 4.551 0.131 12 0 "[ . 1 . 2]" 1
472 1 24 LYS QE 1 49 GLU QB . . 5.500 5.208 3.963 5.609 0.109 12 0 "[ . 1 . 2]" 1
473 1 24 LYS QE 1 49 GLU HG2 . . 5.420 4.234 2.620 5.133 . 0 0 "[ . 1 . 2]" 1
474 1 24 LYS HG2 1 25 LEU H . . 4.570 2.637 2.011 3.493 . 0 0 "[ . 1 . 2]" 1
475 1 24 LYS HG2 1 37 ASN HD21 . . 5.500 4.569 3.473 5.195 . 0 0 "[ . 1 . 2]" 1
476 1 24 LYS HG2 1 37 ASN HD22 . . 4.650 3.017 2.058 3.550 . 0 0 "[ . 1 . 2]" 1
477 1 24 LYS HG3 1 25 LEU H . . 4.450 2.425 2.087 3.012 . 0 0 "[ . 1 . 2]" 1
478 1 24 LYS HG3 1 37 ASN HD21 . . 5.500 3.825 3.057 4.326 . 0 0 "[ . 1 . 2]" 1
479 1 24 LYS HG3 1 37 ASN HD22 . . 4.300 2.583 2.075 3.194 . 0 0 "[ . 1 . 2]" 1
480 1 24 LYS HG3 1 42 PHE QD . . 4.500 3.604 2.728 4.532 0.032 1 0 "[ . 1 . 2]" 1
481 1 24 LYS HG3 1 42 PHE QE . . 4.320 3.518 2.818 4.406 0.086 6 0 "[ . 1 . 2]" 1
482 1 24 LYS HG3 1 46 ALA MB . . 4.360 4.088 3.785 4.373 0.013 12 0 "[ . 1 . 2]" 1
483 1 24 LYS HG3 1 49 GLU HG2 . . 5.500 4.521 4.008 5.563 0.063 5 0 "[ . 1 . 2]" 1
484 1 25 LEU H 1 25 LEU QB . . 3.630 3.018 2.511 3.322 . 0 0 "[ . 1 . 2]" 1
485 1 25 LEU H 1 25 LEU HG . . 3.980 2.735 2.164 3.671 . 0 0 "[ . 1 . 2]" 1
486 1 25 LEU H 1 26 THR H . . 4.580 4.482 4.193 4.617 0.037 6 0 "[ . 1 . 2]" 1
487 1 25 LEU H 1 37 ASN HB2 . . 5.050 5.038 4.811 5.134 0.084 17 0 "[ . 1 . 2]" 1
488 1 25 LEU H 1 37 ASN HD21 . . 4.840 3.862 3.616 4.111 . 0 0 "[ . 1 . 2]" 1
489 1 25 LEU H 1 37 ASN HD22 . . 3.780 2.323 2.167 2.600 . 0 0 "[ . 1 . 2]" 1
490 1 25 LEU H 1 42 PHE HB2 . . 5.280 4.678 4.307 5.106 . 0 0 "[ . 1 . 2]" 1
491 1 25 LEU H 1 42 PHE QD . . 5.240 4.654 4.149 5.159 . 0 0 "[ . 1 . 2]" 1
492 1 25 LEU HA 1 25 LEU QD . . 3.370 3.263 2.029 3.459 0.089 12 0 "[ . 1 . 2]" 1
493 1 25 LEU HA 1 25 LEU HG . . 3.870 3.326 2.441 3.752 . 0 0 "[ . 1 . 2]" 1
494 1 25 LEU HA 1 26 THR H . . 2.920 2.283 2.127 2.406 . 0 0 "[ . 1 . 2]" 1
495 1 25 LEU HA 1 26 THR MG . . 4.220 3.424 2.892 3.906 . 0 0 "[ . 1 . 2]" 1
496 1 25 LEU HA 1 50 LEU H . . 3.800 2.736 2.255 3.220 . 0 0 "[ . 1 . 2]" 1
497 1 25 LEU HA 1 50 LEU HB2 . . 4.470 2.738 2.153 4.863 0.393 14 0 "[ . 1 . 2]" 1
498 1 25 LEU HA 1 50 LEU QD . . 5.300 3.595 2.480 4.157 . 0 0 "[ . 1 . 2]" 1
499 1 25 LEU QB 1 26 THR H . . 4.000 2.785 2.487 3.313 . 0 0 "[ . 1 . 2]" 1
500 1 25 LEU QB 1 37 ASN HD22 . . 5.190 3.719 2.343 4.503 . 0 0 "[ . 1 . 2]" 1
501 1 25 LEU QD 1 26 THR H . . 4.240 3.835 3.381 4.331 0.091 20 0 "[ . 1 . 2]" 1
502 1 25 LEU QD 1 33 ALA MB . . 4.890 2.969 2.122 4.359 . 0 0 "[ . 1 . 2]" 1
503 1 25 LEU QD 1 36 LEU QD . . 4.230 2.292 1.997 2.725 . 0 0 "[ . 1 . 2]" 1
504 1 25 LEU HG 1 26 THR H . . 5.500 4.940 4.392 5.406 . 0 0 "[ . 1 . 2]" 1
505 1 25 LEU HG 1 36 LEU QD . . 5.110 4.653 4.107 5.050 . 0 0 "[ . 1 . 2]" 1
506 1 25 LEU HG 1 50 LEU QD . . 5.500 4.115 2.963 5.121 . 0 0 "[ . 1 . 2]" 1
507 1 26 THR H 1 26 THR MG . . 3.680 2.900 2.502 3.161 . 0 0 "[ . 1 . 2]" 1
508 1 26 THR H 1 27 CYS H . . 5.240 4.429 4.307 4.510 . 0 0 "[ . 1 . 2]" 1
509 1 26 THR H 1 33 ALA MB . . 5.500 3.816 3.491 4.389 . 0 0 "[ . 1 . 2]" 1
510 1 26 THR H 1 49 GLU QB . . 5.090 4.800 4.377 5.149 0.059 1 0 "[ . 1 . 2]" 1
511 1 26 THR H 1 50 LEU H . . 4.300 4.018 3.465 4.359 0.059 1 0 "[ . 1 . 2]" 1
512 1 26 THR H 1 50 LEU HB3 . . 5.340 4.828 4.170 5.672 0.332 14 0 "[ . 1 . 2]" 1
513 1 26 THR H 1 51 SER HA . . 3.440 2.616 2.185 3.081 . 0 0 "[ . 1 . 2]" 1
514 1 26 THR H 1 51 SER QB . . 4.730 4.530 4.131 4.812 0.082 15 0 "[ . 1 . 2]" 1
515 1 26 THR H 1 52 VAL H . . 4.350 3.902 3.268 4.420 0.070 17 0 "[ . 1 . 2]" 1
516 1 26 THR HA 1 26 THR HB . . 2.980 2.413 2.346 2.519 . 0 0 "[ . 1 . 2]" 1
517 1 26 THR HA 1 26 THR MG . . 3.120 2.467 2.306 2.568 . 0 0 "[ . 1 . 2]" 1
518 1 26 THR HA 1 27 CYS H . . 2.790 2.509 2.310 2.683 . 0 0 "[ . 1 . 2]" 1
519 1 26 THR HA 1 33 ALA MB . . 3.310 2.311 2.038 2.915 . 0 0 "[ . 1 . 2]" 1
520 1 26 THR HB 1 27 CYS H . . 3.260 2.603 2.332 3.101 . 0 0 "[ . 1 . 2]" 1
521 1 26 THR MG 1 27 CYS H . . 4.030 3.956 3.766 4.107 0.077 5 0 "[ . 1 . 2]" 1
522 1 26 THR MG 1 33 ALA MB . . 4.910 3.829 3.546 4.303 . 0 0 "[ . 1 . 2]" 1
523 1 26 THR MG 1 49 GLU HA . . 4.580 3.381 2.905 4.031 . 0 0 "[ . 1 . 2]" 1
524 1 26 THR MG 1 49 GLU QB . . 3.190 2.364 1.985 2.974 . 0 0 "[ . 1 . 2]" 1
525 1 26 THR MG 1 49 GLU HG2 . . 4.100 2.830 2.316 3.555 . 0 0 "[ . 1 . 2]" 1
526 1 26 THR MG 1 49 GLU HG3 . . 4.410 4.083 3.659 4.519 0.109 12 0 "[ . 1 . 2]" 1
527 1 26 THR MG 1 50 LEU H . . 4.750 3.780 2.784 4.554 . 0 0 "[ . 1 . 2]" 1
528 1 26 THR MG 1 51 SER HA . . 4.230 4.167 3.887 4.336 0.106 12 0 "[ . 1 . 2]" 1
529 1 27 CYS H 1 27 CYS HB2 . . 4.120 3.468 2.669 4.083 . 0 0 "[ . 1 . 2]" 1
530 1 27 CYS H 1 27 CYS HB3 . . 3.770 3.279 2.857 4.015 0.245 15 0 "[ . 1 . 2]" 1
531 1 27 CYS H 1 28 SER H . . 5.180 4.256 4.166 4.372 . 0 0 "[ . 1 . 2]" 1
532 1 27 CYS H 1 28 SER HA . . 4.940 4.790 4.460 5.012 0.072 5 0 "[ . 1 . 2]" 1
533 1 27 CYS H 1 33 ALA H . . 5.360 4.938 4.433 5.436 0.076 5 0 "[ . 1 . 2]" 1
534 1 27 CYS H 1 33 ALA MB . . 3.370 2.868 2.466 3.387 0.017 3 0 "[ . 1 . 2]" 1
535 1 27 CYS HA 1 28 SER H . . 3.270 2.449 2.284 2.741 . 0 0 "[ . 1 . 2]" 1
536 1 27 CYS HA 1 29 ASN H . . 4.570 4.479 3.983 4.663 0.093 5 0 "[ . 1 . 2]" 1
537 1 27 CYS HA 1 33 ALA MB . . 4.890 4.175 3.778 4.476 . 0 0 "[ . 1 . 2]" 1
538 1 27 CYS HA 1 52 VAL H . . 4.010 2.635 1.841 3.492 . 0 0 "[ . 1 . 2]" 1
539 1 27 CYS HA 1 52 VAL HB . . 4.010 3.411 2.369 3.971 . 0 0 "[ . 1 . 2]" 1
540 1 27 CYS HA 1 52 VAL MG1 . . 5.170 4.682 3.917 5.259 0.089 6 0 "[ . 1 . 2]" 1
541 1 27 CYS HB2 1 28 SER H . . 4.960 3.672 2.425 4.060 . 0 0 "[ . 1 . 2]" 1
542 1 27 CYS HB2 1 29 ASN H . . 5.010 4.193 2.809 5.062 0.052 16 0 "[ . 1 . 2]" 1
543 1 27 CYS HB2 1 32 PHE QD . . 5.000 3.376 2.673 4.434 . 0 0 "[ . 1 . 2]" 1
544 1 27 CYS HB2 1 33 ALA H . . 4.610 4.169 2.657 4.703 0.093 11 0 "[ . 1 . 2]" 1
545 1 27 CYS HB2 1 33 ALA MB . . 3.300 2.844 1.953 3.418 0.118 12 0 "[ . 1 . 2]" 1
546 1 27 CYS HB2 1 52 VAL H . . 4.690 3.293 2.777 4.455 . 0 0 "[ . 1 . 2]" 1
547 1 27 CYS HB2 1 52 VAL HB . . 3.510 2.483 2.013 4.114 0.604 17 2 "[ . -1 . + 2]" 1
548 1 27 CYS HB2 1 52 VAL MG1 . . 4.440 3.764 2.472 5.188 0.748 17 2 "[ . -1 . + 2]" 1
549 1 27 CYS HB2 1 52 VAL MG2 . . 4.860 3.490 2.674 4.633 . 0 0 "[ . 1 . 2]" 1
550 1 27 CYS HB3 1 28 SER H . . 3.780 3.490 2.751 3.863 0.083 3 0 "[ . 1 . 2]" 1
551 1 27 CYS HB3 1 29 ASN H . . 4.790 3.474 2.238 4.586 . 0 0 "[ . 1 . 2]" 1
552 1 27 CYS HB3 1 33 ALA H . . 3.970 3.509 2.741 4.639 0.669 15 1 "[ . 1 + 2]" 1
553 1 27 CYS HB3 1 33 ALA HA . . 4.870 4.504 3.816 4.946 0.076 5 0 "[ . 1 . 2]" 1
554 1 27 CYS HB3 1 33 ALA MB . . 3.120 2.659 2.004 3.424 0.304 14 0 "[ . 1 . 2]" 1
555 1 27 CYS HB3 1 52 VAL H . . 4.350 4.259 3.530 4.757 0.407 20 0 "[ . 1 . 2]" 1
556 1 27 CYS HB3 1 52 VAL HB . . 4.370 3.331 2.084 3.951 . 0 0 "[ . 1 . 2]" 1
557 1 27 CYS HB3 1 52 VAL MG2 . . 5.470 4.171 2.964 4.931 . 0 0 "[ . 1 . 2]" 1
558 1 28 SER H 1 28 SER HB2 . . 3.600 2.941 2.175 3.577 . 0 0 "[ . 1 . 2]" 1
559 1 28 SER H 1 29 ASN H . . 3.600 2.801 2.495 3.033 . 0 0 "[ . 1 . 2]" 1
560 1 28 SER H 1 52 VAL H . . 5.500 4.720 3.889 5.444 . 0 0 "[ . 1 . 2]" 1
561 1 28 SER HA 1 28 SER HB2 . . 2.620 2.739 2.304 3.004 0.384 9 0 "[ . 1 . 2]" 1
562 1 28 SER HA 1 28 SER HB3 . . 2.920 2.484 2.181 3.000 0.080 20 0 "[ . 1 . 2]" 1
563 1 28 SER HA 1 30 THR H . . 5.380 5.246 4.852 5.458 0.078 9 0 "[ . 1 . 2]" 1
564 1 28 SER HA 1 30 THR MG . . 4.980 4.702 3.891 5.069 0.089 11 0 "[ . 1 . 2]" 1
565 1 28 SER HB2 1 29 ASN H . . 4.060 3.138 2.289 3.897 . 0 0 "[ . 1 . 2]" 1
566 1 29 ASN H 1 29 ASN HB2 . . 3.300 2.705 1.960 3.236 . 0 0 "[ . 1 . 2]" 1
567 1 29 ASN H 1 29 ASN HB3 . . 3.500 2.702 2.524 3.213 . 0 0 "[ . 1 . 2]" 1
568 1 29 ASN H 1 29 ASN HD21 . . 5.220 4.864 4.522 5.282 0.062 9 0 "[ . 1 . 2]" 1
569 1 29 ASN H 1 30 THR H . . 4.380 4.344 4.093 4.439 0.059 20 0 "[ . 1 . 2]" 1
570 1 29 ASN H 1 30 THR MG . . 5.430 5.223 4.858 5.511 0.081 20 0 "[ . 1 . 2]" 1
571 1 29 ASN H 1 54 PHE QD . . 5.170 4.903 4.480 5.266 0.096 16 0 "[ . 1 . 2]" 1
572 1 29 ASN H 1 54 PHE QE . . 4.330 3.059 2.435 3.962 . 0 0 "[ . 1 . 2]" 1
573 1 29 ASN H 1 54 PHE HZ . . 5.360 3.877 2.926 5.053 . 0 0 "[ . 1 . 2]" 1
574 1 29 ASN HA 1 29 ASN HD22 . . 5.220 4.047 3.515 4.573 . 0 0 "[ . 1 . 2]" 1
575 1 29 ASN HA 1 30 THR H . . 2.750 2.194 2.076 2.289 . 0 0 "[ . 1 . 2]" 1
576 1 29 ASN HA 1 30 THR HA . . 4.800 4.431 4.387 4.492 . 0 0 "[ . 1 . 2]" 1
577 1 29 ASN HA 1 30 THR MG . . 4.580 3.984 3.598 4.598 0.018 18 0 "[ . 1 . 2]" 1
578 1 29 ASN HA 1 31 LYS H . . 4.380 4.087 3.820 4.435 0.055 17 0 "[ . 1 . 2]" 1
579 1 29 ASN HA 1 32 PHE H . . 5.250 4.493 4.306 4.739 . 0 0 "[ . 1 . 2]" 1
580 1 29 ASN HB2 1 29 ASN HD22 . . 3.740 3.569 3.447 3.926 0.186 5 0 "[ . 1 . 2]" 1
581 1 29 ASN HB2 1 30 THR H . . 4.600 4.500 4.263 4.775 0.175 5 0 "[ . 1 . 2]" 1
582 1 29 ASN HB2 1 54 PHE QE . . 4.040 2.729 2.269 3.375 . 0 0 "[ . 1 . 2]" 1
583 1 29 ASN HB2 1 54 PHE HZ . . 4.400 3.365 2.826 4.440 0.040 16 0 "[ . 1 . 2]" 1
584 1 29 ASN HB2 1 91 GLN HB2 . . 5.240 3.629 3.034 4.288 . 0 0 "[ . 1 . 2]" 1
585 1 29 ASN HB2 1 91 GLN HB3 . . 5.230 2.525 2.203 3.071 . 0 0 "[ . 1 . 2]" 1
586 1 29 ASN HB3 1 30 THR H . . 4.760 4.349 4.081 4.460 . 0 0 "[ . 1 . 2]" 1
587 1 29 ASN HB3 1 32 PHE QD . . 4.980 3.974 3.290 4.622 . 0 0 "[ . 1 . 2]" 1
588 1 29 ASN HB3 1 33 ALA H . . 5.320 4.160 3.747 5.000 . 0 0 "[ . 1 . 2]" 1
589 1 29 ASN HB3 1 54 PHE QE . . 3.830 3.320 2.556 4.002 0.172 20 0 "[ . 1 . 2]" 1
590 1 29 ASN HB3 1 54 PHE HZ . . 4.110 2.824 2.335 3.609 . 0 0 "[ . 1 . 2]" 1
591 1 29 ASN HB3 1 91 GLN HB3 . . 5.220 3.345 2.497 4.165 . 0 0 "[ . 1 . 2]" 1
592 1 30 THR H 1 30 THR HB . . 3.950 3.534 3.405 3.661 . 0 0 "[ . 1 . 2]" 1
593 1 30 THR H 1 30 THR MG . . 3.120 2.337 2.032 2.870 . 0 0 "[ . 1 . 2]" 1
594 1 30 THR H 1 31 LYS QB . . 5.200 4.650 4.397 4.923 . 0 0 "[ . 1 . 2]" 1
595 1 30 THR HA 1 30 THR MG . . 2.980 2.269 2.148 2.481 . 0 0 "[ . 1 . 2]" 1
596 1 30 THR HA 1 32 PHE H . . 5.020 4.481 4.094 4.696 . 0 0 "[ . 1 . 2]" 1
597 1 30 THR HA 1 33 ALA H . . 4.060 3.785 3.355 4.086 0.026 12 0 "[ . 1 . 2]" 1
598 1 30 THR HA 1 33 ALA MB . . 3.440 3.179 2.746 3.528 0.088 12 0 "[ . 1 . 2]" 1
599 1 30 THR HA 1 34 ASP H . . 4.700 4.143 3.850 4.333 . 0 0 "[ . 1 . 2]" 1
600 1 30 THR MG 1 31 LYS H . . 4.390 4.078 3.744 4.434 0.044 12 0 "[ . 1 . 2]" 1
601 1 30 THR MG 1 31 LYS HA . . 5.500 5.464 5.303 5.569 0.069 9 0 "[ . 1 . 2]" 1
602 1 31 LYS H 1 31 LYS QB . . 2.920 2.271 2.044 2.412 . 0 0 "[ . 1 . 2]" 1
603 1 31 LYS H 1 31 LYS HD3 . . 5.250 4.780 4.403 4.996 . 0 0 "[ . 1 . 2]" 1
604 1 31 LYS H 1 31 LYS QE . . 5.500 4.917 4.193 5.610 0.110 10 0 "[ . 1 . 2]" 1
605 1 31 LYS H 1 31 LYS QG . . 4.520 4.054 3.819 4.165 . 0 0 "[ . 1 . 2]" 1
606 1 31 LYS H 1 32 PHE H . . 3.330 2.884 2.501 3.220 . 0 0 "[ . 1 . 2]" 1
607 1 31 LYS H 1 33 ALA H . . 4.690 4.689 4.373 4.764 0.074 16 0 "[ . 1 . 2]" 1
608 1 31 LYS HA 1 31 LYS HD2 . . 4.130 3.710 2.548 4.097 . 0 0 "[ . 1 . 2]" 1
609 1 31 LYS HA 1 31 LYS HD3 . . 4.030 2.393 2.074 3.228 . 0 0 "[ . 1 . 2]" 1
610 1 31 LYS HA 1 31 LYS QG . . 3.460 3.154 3.033 3.345 . 0 0 "[ . 1 . 2]" 1
611 1 31 LYS HA 1 33 ALA H . . 4.990 4.768 4.559 5.065 0.075 11 0 "[ . 1 . 2]" 1
612 1 31 LYS HA 1 34 ASP H . . 3.580 3.394 3.044 3.648 0.068 5 0 "[ . 1 . 2]" 1
613 1 31 LYS HA 1 34 ASP QB . . 3.170 2.378 1.980 2.958 . 0 0 "[ . 1 . 2]" 1
614 1 31 LYS HA 1 35 ASP H . . 4.370 3.623 3.362 3.797 . 0 0 "[ . 1 . 2]" 1
615 1 31 LYS QB 1 32 PHE H . . 3.630 2.706 2.457 2.991 . 0 0 "[ . 1 . 2]" 1
616 1 31 LYS QB 1 34 ASP QB . . 5.500 4.195 3.697 4.688 . 0 0 "[ . 1 . 2]" 1
617 1 31 LYS HD2 1 31 LYS QG . . 2.760 2.179 2.119 2.411 . 0 0 "[ . 1 . 2]" 1
618 1 31 LYS HD3 1 34 ASP QB . . 5.240 3.275 2.197 4.513 . 0 0 "[ . 1 . 2]" 1
619 1 31 LYS HD3 1 35 ASP H . . 5.320 3.632 2.826 5.059 . 0 0 "[ . 1 . 2]" 1
620 1 31 LYS HD3 1 35 ASP HA . . 5.390 4.647 3.784 5.457 0.067 10 0 "[ . 1 . 2]" 1
621 1 31 LYS QE 1 31 LYS QG . . 3.260 2.278 1.917 2.705 . 0 0 "[ . 1 . 2]" 1
622 1 31 LYS QG 1 32 PHE H . . 4.750 3.394 2.883 3.777 . 0 0 "[ . 1 . 2]" 1
623 1 31 LYS QG 1 35 ASP H . . 5.040 4.143 3.581 4.537 . 0 0 "[ . 1 . 2]" 1
624 1 31 LYS QG 1 93 THR MG . . 3.430 3.542 3.508 3.565 0.135 20 0 "[ . 1 . 2]" 1
625 1 32 PHE H 1 32 PHE HB2 . . 3.310 2.330 2.197 2.576 . 0 0 "[ . 1 . 2]" 1
626 1 32 PHE H 1 32 PHE HB3 . . 3.470 2.654 2.518 2.865 . 0 0 "[ . 1 . 2]" 1
627 1 32 PHE H 1 33 ALA H . . 3.350 2.946 2.727 3.191 . 0 0 "[ . 1 . 2]" 1
628 1 32 PHE H 1 33 ALA MB . . 4.910 4.549 4.311 4.763 . 0 0 "[ . 1 . 2]" 1
629 1 32 PHE H 1 34 ASP H . . 4.390 4.003 3.834 4.156 . 0 0 "[ . 1 . 2]" 1
630 1 32 PHE HA 1 32 PHE QD . . 3.020 2.331 2.154 2.737 . 0 0 "[ . 1 . 2]" 1
631 1 32 PHE HA 1 35 ASP HB2 . . 4.050 3.668 2.645 4.128 0.078 7 0 "[ . 1 . 2]" 1
632 1 32 PHE HA 1 36 LEU H . . 5.500 4.234 4.040 4.478 . 0 0 "[ . 1 . 2]" 1
633 1 32 PHE HB2 1 33 ALA H . . 3.940 3.617 3.444 3.769 . 0 0 "[ . 1 . 2]" 1
634 1 32 PHE HB2 1 92 ALA HA . . 5.090 3.194 2.367 3.847 . 0 0 "[ . 1 . 2]" 1
635 1 32 PHE HB2 1 93 THR MG . . 5.470 4.532 4.236 5.024 . 0 0 "[ . 1 . 2]" 1
636 1 32 PHE HB3 1 33 ALA H . . 3.590 2.229 2.077 2.362 . 0 0 "[ . 1 . 2]" 1
637 1 32 PHE HB3 1 33 ALA MB . . 5.080 3.660 3.400 3.785 . 0 0 "[ . 1 . 2]" 1
638 1 32 PHE HB3 1 34 ASP H . . 4.530 4.610 4.598 4.617 0.087 20 0 "[ . 1 . 2]" 1
639 1 32 PHE HB3 1 54 PHE QE . . 5.040 4.409 4.064 4.890 . 0 0 "[ . 1 . 2]" 1
640 1 32 PHE HB3 1 54 PHE HZ . . 4.760 3.342 2.859 3.884 . 0 0 "[ . 1 . 2]" 1
641 1 32 PHE HB3 1 92 ALA HA . . 5.500 4.873 3.975 5.457 . 0 0 "[ . 1 . 2]" 1
642 1 32 PHE QD 1 33 ALA H . . 4.770 3.726 3.191 4.009 . 0 0 "[ . 1 . 2]" 1
643 1 32 PHE QD 1 33 ALA HA . . 5.220 4.141 3.370 4.675 . 0 0 "[ . 1 . 2]" 1
644 1 32 PHE QD 1 33 ALA MB . . 4.410 3.968 3.445 4.377 . 0 0 "[ . 1 . 2]" 1
645 1 32 PHE QD 1 36 LEU H . . 5.500 5.324 4.925 5.580 0.080 3 0 "[ . 1 . 2]" 1
646 1 32 PHE QD 1 36 LEU QD . . 3.980 3.126 2.564 3.567 . 0 0 "[ . 1 . 2]" 1
647 1 32 PHE QD 1 52 VAL MG1 . . 3.590 3.258 2.455 3.682 0.092 7 0 "[ . 1 . 2]" 1
648 1 32 PHE QD 1 54 PHE QE . . 4.070 3.347 2.699 3.960 . 0 0 "[ . 1 . 2]" 1
649 1 32 PHE QD 1 54 PHE HZ . . 3.800 3.039 2.360 3.659 . 0 0 "[ . 1 . 2]" 1
650 1 32 PHE QD 1 88 HIS QB . . 4.100 3.940 3.539 4.217 0.117 12 0 "[ . 1 . 2]" 1
651 1 32 PHE QD 1 92 ALA H . . 4.390 4.220 3.795 4.481 0.091 12 0 "[ . 1 . 2]" 1
652 1 32 PHE QD 1 92 ALA HA . . 3.050 2.615 2.134 3.133 0.083 12 0 "[ . 1 . 2]" 1
653 1 32 PHE QD 1 92 ALA MB . . 4.410 4.014 3.475 4.529 0.119 6 0 "[ . 1 . 2]" 1
654 1 32 PHE QD 1 93 THR H . . 3.380 2.974 2.498 3.401 0.021 20 0 "[ . 1 . 2]" 1
655 1 32 PHE QD 1 93 THR HB . . 4.240 2.814 2.349 4.281 0.041 1 0 "[ . 1 . 2]" 1
656 1 32 PHE QD 1 93 THR MG . . 3.270 2.824 2.484 3.284 0.014 18 0 "[ . 1 . 2]" 1
657 1 32 PHE QE 1 36 LEU QD . . 3.550 2.916 2.277 3.443 . 0 0 "[ . 1 . 2]" 1
658 1 32 PHE QE 1 52 VAL MG1 . . 3.100 2.313 2.127 2.871 . 0 0 "[ . 1 . 2]" 1
659 1 32 PHE QE 1 54 PHE QE . . 4.700 2.988 2.268 3.689 . 0 0 "[ . 1 . 2]" 1
660 1 32 PHE QE 1 64 ALA MB . . 3.630 2.924 2.258 3.718 0.088 4 0 "[ . 1 . 2]" 1
661 1 32 PHE QE 1 86 VAL MG2 . . 3.080 2.389 2.106 2.797 . 0 0 "[ . 1 . 2]" 1
662 1 32 PHE QE 1 87 TRP H . . 5.500 5.263 4.765 5.570 0.070 18 0 "[ . 1 . 2]" 1
663 1 32 PHE QE 1 88 HIS HA . . 4.470 2.723 2.196 3.455 . 0 0 "[ . 1 . 2]" 1
664 1 32 PHE QE 1 88 HIS QB . . 3.610 2.916 2.485 3.392 . 0 0 "[ . 1 . 2]" 1
665 1 32 PHE QE 1 89 ILE H . . 5.360 3.955 3.324 4.540 . 0 0 "[ . 1 . 2]" 1
666 1 32 PHE QE 1 93 THR H . . 4.300 4.206 3.656 4.389 0.089 5 0 "[ . 1 . 2]" 1
667 1 32 PHE QE 1 93 THR HA . . 4.440 3.186 2.708 3.561 . 0 0 "[ . 1 . 2]" 1
668 1 32 PHE QE 1 93 THR HB . . 3.220 2.380 2.036 3.286 0.066 1 0 "[ . 1 . 2]" 1
669 1 32 PHE QE 1 93 THR MG . . 3.760 3.741 3.000 3.867 0.107 20 0 "[ . 1 . 2]" 1
670 1 32 PHE QE 1 101 ASN HD22 . . 5.500 3.555 2.659 4.202 . 0 0 "[ . 1 . 2]" 1
671 1 32 PHE HZ 1 36 LEU QD . . 3.850 3.376 2.873 3.830 . 0 0 "[ . 1 . 2]" 1
672 1 32 PHE HZ 1 54 PHE QE . . 4.930 3.682 3.034 4.365 . 0 0 "[ . 1 . 2]" 1
673 1 32 PHE HZ 1 64 ALA MB . . 3.600 3.350 2.938 3.680 0.080 6 0 "[ . 1 . 2]" 1
674 1 32 PHE HZ 1 86 VAL HB . . 4.500 3.350 2.695 4.050 . 0 0 "[ . 1 . 2]" 1
675 1 32 PHE HZ 1 86 VAL MG1 . . 4.980 4.204 3.701 4.907 . 0 0 "[ . 1 . 2]" 1
676 1 32 PHE HZ 1 86 VAL MG2 . . 3.050 2.313 2.111 2.726 . 0 0 "[ . 1 . 2]" 1
677 1 32 PHE HZ 1 88 HIS HA . . 4.500 3.382 2.716 3.759 . 0 0 "[ . 1 . 2]" 1
678 1 32 PHE HZ 1 88 HIS QB . . 3.460 2.615 2.165 3.218 . 0 0 "[ . 1 . 2]" 1
679 1 32 PHE HZ 1 89 ILE H . . 5.400 5.339 4.732 5.474 0.074 3 0 "[ . 1 . 2]" 1
680 1 32 PHE HZ 1 101 ASN HD22 . . 4.970 3.409 2.576 4.439 . 0 0 "[ . 1 . 2]" 1
681 1 33 ALA H 1 33 ALA MB . . 2.990 2.210 2.168 2.248 . 0 0 "[ . 1 . 2]" 1
682 1 33 ALA H 1 34 ASP H . . 3.260 2.635 2.508 2.839 . 0 0 "[ . 1 . 2]" 1
683 1 33 ALA H 1 35 ASP H . . 5.040 4.444 4.212 4.632 . 0 0 "[ . 1 . 2]" 1
684 1 33 ALA H 1 36 LEU QD . . 5.500 4.286 3.809 5.089 . 0 0 "[ . 1 . 2]" 1
685 1 33 ALA HA 1 35 ASP H . . 5.500 4.644 4.274 4.892 . 0 0 "[ . 1 . 2]" 1
686 1 33 ALA HA 1 36 LEU H . . 3.810 3.616 3.342 3.857 0.047 16 0 "[ . 1 . 2]" 1
687 1 33 ALA HA 1 36 LEU HB2 . . 3.550 2.566 2.300 3.319 . 0 0 "[ . 1 . 2]" 1
688 1 33 ALA HA 1 36 LEU HB3 . . 4.240 3.916 2.828 4.299 0.059 5 0 "[ . 1 . 2]" 1
689 1 33 ALA HA 1 36 LEU QD . . 3.840 2.692 2.292 3.341 . 0 0 "[ . 1 . 2]" 1
690 1 33 ALA HA 1 36 LEU HG . . 5.070 4.499 3.462 5.146 0.076 11 0 "[ . 1 . 2]" 1
691 1 33 ALA HA 1 37 ASN H . . 4.580 3.960 3.778 4.125 . 0 0 "[ . 1 . 2]" 1
692 1 33 ALA MB 1 34 ASP H . . 3.350 2.727 2.572 2.953 . 0 0 "[ . 1 . 2]" 1
693 1 33 ALA MB 1 34 ASP HA . . 4.300 3.848 3.681 4.074 . 0 0 "[ . 1 . 2]" 1
694 1 33 ALA MB 1 36 LEU QD . . 4.920 3.840 3.553 4.241 . 0 0 "[ . 1 . 2]" 1
695 1 33 ALA MB 1 37 ASN H . . 4.690 4.416 4.270 4.600 . 0 0 "[ . 1 . 2]" 1
696 1 33 ALA MB 1 37 ASN HD21 . . 5.240 3.086 2.629 3.749 . 0 0 "[ . 1 . 2]" 1
697 1 33 ALA MB 1 37 ASN HD22 . . 3.770 3.045 2.636 3.531 . 0 0 "[ . 1 . 2]" 1
698 1 34 ASP H 1 34 ASP QB . . 3.230 2.245 2.092 2.352 . 0 0 "[ . 1 . 2]" 1
699 1 34 ASP H 1 37 ASN H . . 4.480 4.547 4.490 4.563 0.083 17 0 "[ . 1 . 2]" 1
700 1 34 ASP H 1 37 ASN HD21 . . 5.500 4.291 3.961 4.914 . 0 0 "[ . 1 . 2]" 1
701 1 34 ASP HA 1 37 ASN H . . 3.600 3.367 3.169 3.587 . 0 0 "[ . 1 . 2]" 1
702 1 34 ASP HA 1 37 ASN HB2 . . 3.080 2.472 2.179 2.637 . 0 0 "[ . 1 . 2]" 1
703 1 34 ASP HA 1 37 ASN HB3 . . 4.030 4.005 3.712 4.111 0.081 14 0 "[ . 1 . 2]" 1
704 1 34 ASP HA 1 37 ASN HD21 . . 3.590 2.643 2.236 2.913 . 0 0 "[ . 1 . 2]" 1
705 1 34 ASP HA 1 37 ASN HD22 . . 5.500 4.269 3.920 4.602 . 0 0 "[ . 1 . 2]" 1
706 1 34 ASP QB 1 35 ASP H . . 3.290 2.597 2.255 3.011 . 0 0 "[ . 1 . 2]" 1
707 1 35 ASP H 1 35 ASP HB2 . . 3.180 2.260 2.107 2.498 . 0 0 "[ . 1 . 2]" 1
708 1 35 ASP H 1 35 ASP HB3 . . 3.660 2.994 2.511 3.537 . 0 0 "[ . 1 . 2]" 1
709 1 35 ASP H 1 36 LEU H . . 3.440 2.618 2.385 2.816 . 0 0 "[ . 1 . 2]" 1
710 1 35 ASP H 1 36 LEU HA . . 5.500 5.273 5.072 5.424 . 0 0 "[ . 1 . 2]" 1
711 1 35 ASP H 1 37 ASN H . . 4.460 4.127 3.826 4.245 . 0 0 "[ . 1 . 2]" 1
712 1 35 ASP H 1 93 THR MG . . 4.540 3.981 3.766 4.279 . 0 0 "[ . 1 . 2]" 1
713 1 35 ASP HA 1 38 GLN H . . 3.720 3.376 3.032 3.590 . 0 0 "[ . 1 . 2]" 1
714 1 35 ASP HA 1 38 GLN HB2 . . 2.910 2.330 2.150 2.606 . 0 0 "[ . 1 . 2]" 1
715 1 35 ASP HA 1 38 GLN HB3 . . 3.560 3.552 3.329 3.635 0.075 13 0 "[ . 1 . 2]" 1
716 1 35 ASP HA 1 38 GLN HG2 . . 4.970 4.468 4.120 4.997 0.027 13 0 "[ . 1 . 2]" 1
717 1 35 ASP HA 1 38 GLN HG3 . . 5.200 3.415 3.068 3.898 . 0 0 "[ . 1 . 2]" 1
718 1 35 ASP HA 1 39 MET H . . 5.040 4.494 4.086 5.043 0.003 20 0 "[ . 1 . 2]" 1
719 1 35 ASP HA 1 93 THR MG . . 4.190 4.277 4.162 4.308 0.118 7 0 "[ . 1 . 2]" 1
720 1 35 ASP HB2 1 36 LEU H . . 3.710 3.379 2.632 3.774 0.064 5 0 "[ . 1 . 2]" 1
721 1 35 ASP HB2 1 93 THR MG . . 3.330 2.712 2.089 3.141 . 0 0 "[ . 1 . 2]" 1
722 1 35 ASP HB3 1 36 LEU H . . 4.060 2.805 2.392 3.317 . 0 0 "[ . 1 . 2]" 1
723 1 35 ASP HB3 1 37 ASN H . . 5.490 5.256 5.001 5.555 0.065 20 0 "[ . 1 . 2]" 1
724 1 35 ASP HB3 1 93 THR MG . . 3.180 2.022 1.913 2.139 . 0 0 "[ . 1 . 2]" 1
725 1 36 LEU H 1 36 LEU HB2 . . 3.420 2.270 2.106 2.498 . 0 0 "[ . 1 . 2]" 1
726 1 36 LEU H 1 36 LEU HB3 . . 3.810 3.490 2.624 3.649 . 0 0 "[ . 1 . 2]" 1
727 1 36 LEU H 1 36 LEU QD . . 3.850 2.955 2.463 3.475 . 0 0 "[ . 1 . 2]" 1
728 1 36 LEU H 1 37 ASN H . . 3.250 2.774 2.661 2.857 . 0 0 "[ . 1 . 2]" 1
729 1 36 LEU H 1 38 GLN H . . 4.780 3.961 3.761 4.144 . 0 0 "[ . 1 . 2]" 1
730 1 36 LEU H 1 93 THR MG . . 4.240 3.439 3.164 3.839 . 0 0 "[ . 1 . 2]" 1
731 1 36 LEU HA 1 36 LEU QD . . 2.940 2.127 2.024 2.281 . 0 0 "[ . 1 . 2]" 1
732 1 36 LEU HA 1 36 LEU HG . . 3.650 2.804 2.391 3.243 . 0 0 "[ . 1 . 2]" 1
733 1 36 LEU HA 1 38 GLN H . . 4.830 4.083 3.934 4.295 . 0 0 "[ . 1 . 2]" 1
734 1 36 LEU HA 1 39 MET H . . 3.860 3.338 3.071 3.591 . 0 0 "[ . 1 . 2]" 1
735 1 36 LEU HA 1 39 MET HB2 . . 3.780 3.055 2.656 3.327 . 0 0 "[ . 1 . 2]" 1
736 1 36 LEU HA 1 39 MET HB3 . . 4.740 4.587 4.229 4.807 0.067 4 0 "[ . 1 . 2]" 1
737 1 36 LEU HA 1 39 MET HG2 . . 4.690 4.617 4.350 4.770 0.080 9 0 "[ . 1 . 2]" 1
738 1 36 LEU HA 1 39 MET HG3 . . 4.470 3.473 3.096 3.748 . 0 0 "[ . 1 . 2]" 1
739 1 36 LEU HA 1 93 THR MG . . 3.970 4.035 3.760 4.083 0.113 20 0 "[ . 1 . 2]" 1
740 1 36 LEU HA 1 105 LEU QD . . 4.140 3.005 2.563 3.427 . 0 0 "[ . 1 . 2]" 1
741 1 36 LEU HA 1 105 LEU HG . . 5.500 5.223 4.693 5.556 0.056 20 0 "[ . 1 . 2]" 1
742 1 36 LEU HB2 1 37 ASN H . . 3.730 2.771 2.439 3.782 0.052 15 0 "[ . 1 . 2]" 1
743 1 36 LEU HB3 1 37 ASN H . . 4.210 3.308 2.794 3.562 . 0 0 "[ . 1 . 2]" 1
744 1 36 LEU QD 1 37 ASN H . . 5.040 4.094 3.954 4.231 . 0 0 "[ . 1 . 2]" 1
745 1 36 LEU QD 1 38 GLN H . . 5.500 5.177 4.920 5.266 . 0 0 "[ . 1 . 2]" 1
746 1 36 LEU QD 1 39 MET H . . 5.410 4.728 4.417 5.042 . 0 0 "[ . 1 . 2]" 1
747 1 36 LEU QD 1 39 MET HB2 . . 5.500 4.014 3.456 4.558 . 0 0 "[ . 1 . 2]" 1
748 1 36 LEU QD 1 39 MET HG2 . . 5.500 4.908 4.661 5.271 . 0 0 "[ . 1 . 2]" 1
749 1 36 LEU QD 1 39 MET HG3 . . 5.490 4.358 4.004 4.646 . 0 0 "[ . 1 . 2]" 1
750 1 36 LEU QD 1 86 VAL HB . . 4.770 3.634 3.053 4.261 . 0 0 "[ . 1 . 2]" 1
751 1 36 LEU QD 1 86 VAL MG2 . . 3.690 3.058 2.776 3.472 . 0 0 "[ . 1 . 2]" 1
752 1 36 LEU QD 1 93 THR HB . . 3.970 3.174 2.415 3.841 . 0 0 "[ . 1 . 2]" 1
753 1 36 LEU QD 1 93 THR MG . . 3.540 2.694 2.051 3.520 . 0 0 "[ . 1 . 2]" 1
754 1 36 LEU QD 1 101 ASN HB2 . . 4.520 3.386 2.858 4.074 . 0 0 "[ . 1 . 2]" 1
755 1 36 LEU QD 1 101 ASN HB3 . . 4.380 2.674 2.054 3.771 . 0 0 "[ . 1 . 2]" 1
756 1 36 LEU QD 1 101 ASN HD21 . . 4.310 3.458 2.137 4.279 . 0 0 "[ . 1 . 2]" 1
757 1 36 LEU QD 1 101 ASN HD22 . . 4.270 3.285 2.261 4.030 . 0 0 "[ . 1 . 2]" 1
758 1 36 LEU QD 1 105 LEU QD . . 4.390 2.459 1.979 3.348 . 0 0 "[ . 1 . 2]" 1
759 1 36 LEU HG 1 37 ASN H . . 5.190 4.797 4.432 5.173 . 0 0 "[ . 1 . 2]" 1
760 1 37 ASN H 1 37 ASN HB2 . . 3.700 2.233 2.195 2.303 . 0 0 "[ . 1 . 2]" 1
761 1 37 ASN H 1 37 ASN HB3 . . 3.400 3.478 3.470 3.487 0.087 8 0 "[ . 1 . 2]" 1
762 1 37 ASN H 1 37 ASN HD21 . . 4.330 3.082 2.629 3.892 . 0 0 "[ . 1 . 2]" 1
763 1 37 ASN H 1 37 ASN HD22 . . 5.500 4.213 3.936 4.398 . 0 0 "[ . 1 . 2]" 1
764 1 37 ASN H 1 38 GLN H . . 3.370 2.690 2.551 2.797 . 0 0 "[ . 1 . 2]" 1
765 1 37 ASN H 1 38 GLN HB2 . . 4.910 4.380 4.183 4.527 . 0 0 "[ . 1 . 2]" 1
766 1 37 ASN H 1 39 MET H . . 4.810 4.253 4.045 4.444 . 0 0 "[ . 1 . 2]" 1
767 1 37 ASN H 1 40 THR H . . 5.500 5.124 4.902 5.447 . 0 0 "[ . 1 . 2]" 1
768 1 37 ASN HA 1 40 THR H . . 4.000 3.525 3.158 3.893 . 0 0 "[ . 1 . 2]" 1
769 1 37 ASN HA 1 40 THR MG . . 4.590 2.797 2.061 3.841 . 0 0 "[ . 1 . 2]" 1
770 1 37 ASN HA 1 41 GLY H . . 4.970 4.447 3.920 4.977 0.007 1 0 "[ . 1 . 2]" 1
771 1 37 ASN HA 1 42 PHE H . . 4.340 3.718 3.486 3.923 . 0 0 "[ . 1 . 2]" 1
772 1 37 ASN HA 1 105 LEU QD . . 4.840 3.998 3.531 4.537 . 0 0 "[ . 1 . 2]" 1
773 1 37 ASN HB2 1 38 GLN H . . 3.870 3.066 2.813 3.261 . 0 0 "[ . 1 . 2]" 1
774 1 37 ASN HB2 1 42 PHE HB2 . . 5.370 5.095 4.826 5.430 0.060 7 0 "[ . 1 . 2]" 1
775 1 37 ASN HB2 1 42 PHE QD . . 4.430 3.584 3.430 3.773 . 0 0 "[ . 1 . 2]" 1
776 1 37 ASN HB2 1 42 PHE QE . . 5.210 5.259 5.053 5.299 0.089 8 0 "[ . 1 . 2]" 1
777 1 37 ASN HB3 1 38 GLN H . . 4.080 3.644 3.382 3.827 . 0 0 "[ . 1 . 2]" 1
778 1 37 ASN HB3 1 42 PHE HB2 . . 5.500 3.630 3.263 3.998 . 0 0 "[ . 1 . 2]" 1
779 1 37 ASN HB3 1 42 PHE QD . . 3.790 2.229 2.061 2.361 . 0 0 "[ . 1 . 2]" 1
780 1 38 GLN H 1 38 GLN HB2 . . 2.930 1.982 1.935 2.055 . 0 0 "[ . 1 . 2]" 1
781 1 38 GLN H 1 38 GLN HB3 . . 3.170 3.219 3.088 3.259 0.089 15 0 "[ . 1 . 2]" 1
782 1 38 GLN H 1 38 GLN HG2 . . 3.910 3.433 3.094 3.789 . 0 0 "[ . 1 . 2]" 1
783 1 38 GLN H 1 38 GLN HG3 . . 4.020 3.840 3.458 4.099 0.079 6 0 "[ . 1 . 2]" 1
784 1 38 GLN H 1 39 MET H . . 3.280 2.559 2.360 2.659 . 0 0 "[ . 1 . 2]" 1
785 1 38 GLN H 1 39 MET HA . . 5.070 5.133 5.016 5.153 0.083 4 0 "[ . 1 . 2]" 1
786 1 38 GLN H 1 39 MET HG3 . . 5.500 4.250 4.054 4.560 . 0 0 "[ . 1 . 2]" 1
787 1 38 GLN H 1 40 THR MG . . 5.500 4.848 4.227 5.575 0.075 2 0 "[ . 1 . 2]" 1
788 1 38 GLN HA 1 38 GLN HB3 . . 2.820 2.821 2.715 2.890 0.070 18 0 "[ . 1 . 2]" 1
789 1 38 GLN HA 1 38 GLN HG2 . . 3.470 2.315 2.203 2.484 . 0 0 "[ . 1 . 2]" 1
790 1 38 GLN HA 1 38 GLN HG3 . . 3.490 3.544 3.499 3.564 0.074 15 0 "[ . 1 . 2]" 1
791 1 38 GLN HA 1 40 THR H . . 5.230 4.465 3.908 4.830 . 0 0 "[ . 1 . 2]" 1
792 1 38 GLN HA 1 41 GLY H . . 4.220 3.491 3.196 3.721 . 0 0 "[ . 1 . 2]" 1
793 1 38 GLN HB2 1 38 GLN HG2 . . 2.630 2.630 2.469 2.754 0.124 4 0 "[ . 1 . 2]" 1
794 1 38 GLN HB2 1 38 GLN HG3 . . 2.670 2.244 2.142 2.329 . 0 0 "[ . 1 . 2]" 1
795 1 38 GLN HB2 1 39 MET H . . 3.920 3.192 2.780 3.591 . 0 0 "[ . 1 . 2]" 1
796 1 38 GLN HB3 1 39 MET H . . 3.610 3.232 2.881 3.582 . 0 0 "[ . 1 . 2]" 1
797 1 39 MET H 1 39 MET HB2 . . 3.250 2.396 2.252 2.580 . 0 0 "[ . 1 . 2]" 1
798 1 39 MET H 1 39 MET HB3 . . 3.860 3.545 3.447 3.640 . 0 0 "[ . 1 . 2]" 1
799 1 39 MET H 1 39 MET ME . . 4.160 4.223 3.623 4.279 0.119 15 0 "[ . 1 . 2]" 1
800 1 39 MET H 1 39 MET HG2 . . 3.740 3.663 3.497 3.803 0.063 18 0 "[ . 1 . 2]" 1
801 1 39 MET H 1 39 MET HG3 . . 3.380 2.270 2.063 2.459 . 0 0 "[ . 1 . 2]" 1
802 1 39 MET H 1 40 THR H . . 3.320 2.708 2.386 2.923 . 0 0 "[ . 1 . 2]" 1
803 1 39 MET H 1 40 THR HA . . 5.480 5.307 5.041 5.512 0.032 12 0 "[ . 1 . 2]" 1
804 1 39 MET H 1 40 THR MG . . 4.980 4.086 3.801 4.627 . 0 0 "[ . 1 . 2]" 1
805 1 39 MET H 1 41 GLY H . . 4.660 4.070 3.630 4.423 . 0 0 "[ . 1 . 2]" 1
806 1 39 MET H 1 105 LEU QD . . 4.780 3.997 3.606 4.590 . 0 0 "[ . 1 . 2]" 1
807 1 39 MET HA 1 39 MET ME . . 4.360 4.194 4.060 4.320 . 0 0 "[ . 1 . 2]" 1
808 1 39 MET HA 1 39 MET HG2 . . 3.200 2.727 2.562 2.867 . 0 0 "[ . 1 . 2]" 1
809 1 39 MET HA 1 39 MET HG3 . . 3.480 2.769 2.575 2.956 . 0 0 "[ . 1 . 2]" 1
810 1 39 MET HA 1 41 GLY H . . 4.600 4.276 3.948 4.642 0.042 5 0 "[ . 1 . 2]" 1
811 1 39 MET HB2 1 39 MET ME . . 4.700 2.353 1.964 2.545 . 0 0 "[ . 1 . 2]" 1
812 1 39 MET HB2 1 40 THR H . . 3.960 2.722 2.277 3.202 . 0 0 "[ . 1 . 2]" 1
813 1 39 MET HB2 1 40 THR MG . . 4.750 3.612 2.774 4.049 . 0 0 "[ . 1 . 2]" 1
814 1 39 MET HB2 1 105 LEU QD . . 3.640 2.412 2.100 2.947 . 0 0 "[ . 1 . 2]" 1
815 1 39 MET HB3 1 39 MET ME . . 3.020 2.172 2.012 2.506 . 0 0 "[ . 1 . 2]" 1
816 1 39 MET HB3 1 40 THR H . . 4.430 3.696 3.286 4.021 . 0 0 "[ . 1 . 2]" 1
817 1 39 MET HB3 1 40 THR MG . . 5.500 4.563 3.813 5.203 . 0 0 "[ . 1 . 2]" 1
818 1 39 MET HB3 1 102 THR HA . . 4.980 4.413 3.696 5.025 0.045 7 0 "[ . 1 . 2]" 1
819 1 39 MET HB3 1 105 LEU QD . . 3.770 2.976 2.466 3.551 . 0 0 "[ . 1 . 2]" 1
820 1 39 MET ME 1 39 MET HG2 . . 3.230 2.749 2.513 3.205 . 0 0 "[ . 1 . 2]" 1
821 1 39 MET ME 1 39 MET HG3 . . 3.780 3.387 3.240 3.451 . 0 0 "[ . 1 . 2]" 1
822 1 39 MET ME 1 40 THR H . . 5.010 4.568 3.948 5.074 0.064 16 0 "[ . 1 . 2]" 1
823 1 39 MET ME 1 98 PHE HA . . 3.740 2.966 2.280 3.389 . 0 0 "[ . 1 . 2]" 1
824 1 39 MET ME 1 98 PHE HB2 . . 4.170 4.067 3.574 4.261 0.091 20 0 "[ . 1 . 2]" 1
825 1 39 MET ME 1 98 PHE QD . . 3.550 2.458 2.183 3.561 0.011 20 0 "[ . 1 . 2]" 1
826 1 39 MET ME 1 98 PHE QE . . 4.010 3.349 2.458 3.993 . 0 0 "[ . 1 . 2]" 1
827 1 39 MET ME 1 101 ASN HA . . 4.530 4.241 3.980 4.617 0.087 18 0 "[ . 1 . 2]" 1
828 1 39 MET ME 1 101 ASN HB3 . . 3.210 2.233 1.932 2.696 . 0 0 "[ . 1 . 2]" 1
829 1 39 MET ME 1 101 ASN HD21 . . 5.500 4.429 3.802 4.892 . 0 0 "[ . 1 . 2]" 1
830 1 39 MET ME 1 101 ASN HD22 . . 5.500 5.296 3.968 5.599 0.099 18 0 "[ . 1 . 2]" 1
831 1 39 MET ME 1 102 THR H . . 3.470 2.824 2.411 3.547 0.077 9 0 "[ . 1 . 2]" 1
832 1 39 MET ME 1 102 THR HA . . 3.050 2.717 2.201 3.135 0.085 12 0 "[ . 1 . 2]" 1
833 1 39 MET ME 1 102 THR HB . . 3.380 3.436 2.543 3.501 0.121 3 0 "[ . 1 . 2]" 1
834 1 39 MET ME 1 102 THR MG . . 3.910 2.048 1.817 3.812 . 0 0 "[ . 1 . 2]" 1
835 1 39 MET ME 1 105 LEU QD . . 3.160 1.967 1.767 2.199 . 0 0 "[ . 1 . 2]" 1
836 1 39 MET ME 1 105 LEU HG . . 3.660 3.527 2.911 3.786 0.126 7 0 "[ . 1 . 2]" 1
837 1 39 MET HG2 1 98 PHE QD . . 4.280 2.603 2.219 3.202 . 0 0 "[ . 1 . 2]" 1
838 1 39 MET HG2 1 98 PHE QE . . 4.080 2.658 2.172 3.500 . 0 0 "[ . 1 . 2]" 1
839 1 39 MET HG2 1 105 LEU QD . . 5.150 4.375 3.978 4.852 . 0 0 "[ . 1 . 2]" 1
840 1 39 MET HG3 1 40 THR H . . 5.220 4.475 4.232 4.664 . 0 0 "[ . 1 . 2]" 1
841 1 39 MET HG3 1 40 THR MG . . 5.500 5.547 4.959 5.604 0.104 19 0 "[ . 1 . 2]" 1
842 1 39 MET HG3 1 98 PHE QE . . 5.110 4.317 3.375 5.176 0.066 11 0 "[ . 1 . 2]" 1
843 1 39 MET HG3 1 105 LEU QD . . 5.500 4.312 4.004 4.844 . 0 0 "[ . 1 . 2]" 1
844 1 40 THR H 1 40 THR MG . . 3.330 2.145 1.920 2.401 . 0 0 "[ . 1 . 2]" 1
845 1 40 THR H 1 41 GLY H . . 2.840 2.565 2.167 2.868 0.028 7 0 "[ . 1 . 2]" 1
846 1 40 THR H 1 41 GLY HA2 . . 5.300 4.879 4.403 5.198 . 0 0 "[ . 1 . 2]" 1
847 1 40 THR H 1 105 LEU HB3 . . 5.430 5.376 4.679 5.508 0.078 8 0 "[ . 1 . 2]" 1
848 1 40 THR H 1 105 LEU QD . . 4.360 3.162 2.647 3.864 . 0 0 "[ . 1 . 2]" 1
849 1 40 THR HA 1 40 THR HB . . 2.870 2.441 2.224 2.512 . 0 0 "[ . 1 . 2]" 1
850 1 40 THR HA 1 40 THR MG . . 3.190 2.835 2.243 3.268 0.078 14 0 "[ . 1 . 2]" 1
851 1 40 THR HA 1 105 LEU QD . . 4.380 3.654 2.864 4.343 . 0 0 "[ . 1 . 2]" 1
852 1 40 THR HA 1 109 TRP HE1 . . 5.500 4.207 3.584 5.235 . 0 0 "[ . 1 . 2]" 1
853 1 40 THR HB 1 41 GLY H . . 4.890 4.152 3.674 4.590 . 0 0 "[ . 1 . 2]" 1
854 1 40 THR HB 1 109 TRP HE1 . . 5.500 3.665 3.053 4.371 . 0 0 "[ . 1 . 2]" 1
855 1 40 THR MG 1 41 GLY H . . 4.920 3.507 2.525 4.227 . 0 0 "[ . 1 . 2]" 1
856 1 40 THR MG 1 42 PHE H . . 5.020 3.364 2.063 4.736 . 0 0 "[ . 1 . 2]" 1
857 1 40 THR MG 1 42 PHE HB2 . . 5.500 3.455 2.429 4.930 . 0 0 "[ . 1 . 2]" 1
858 1 40 THR MG 1 42 PHE HB3 . . 5.500 4.054 2.893 5.495 . 0 0 "[ . 1 . 2]" 1
859 1 40 THR MG 1 105 LEU QD . . 3.080 2.183 1.769 2.820 . 0 0 "[ . 1 . 2]" 1
860 1 40 THR MG 1 109 TRP HE1 . . 5.330 3.327 2.086 4.541 . 0 0 "[ . 1 . 2]" 1
861 1 41 GLY H 1 42 PHE H . . 3.210 2.365 1.950 2.844 . 0 0 "[ . 1 . 2]" 1
862 1 41 GLY H 1 42 PHE HB3 . . 4.840 4.322 3.965 4.832 . 0 0 "[ . 1 . 2]" 1
863 1 42 PHE H 1 42 PHE HB2 . . 3.380 2.763 2.608 2.961 . 0 0 "[ . 1 . 2]" 1
864 1 42 PHE H 1 42 PHE HB3 . . 3.210 2.252 2.127 2.406 . 0 0 "[ . 1 . 2]" 1
865 1 42 PHE H 1 42 PHE QD . . 4.420 4.094 3.860 4.222 . 0 0 "[ . 1 . 2]" 1
866 1 42 PHE H 1 43 THR H . . 4.930 4.656 4.551 4.780 . 0 0 "[ . 1 . 2]" 1
867 1 42 PHE HA 1 42 PHE QD . . 3.210 2.708 2.478 2.981 . 0 0 "[ . 1 . 2]" 1
868 1 42 PHE HB2 1 43 THR H . . 4.170 4.032 3.838 4.131 . 0 0 "[ . 1 . 2]" 1
869 1 42 PHE HB3 1 43 THR H . . 4.740 4.374 4.203 4.496 . 0 0 "[ . 1 . 2]" 1
870 1 42 PHE QD 1 43 THR H . . 3.300 2.716 2.561 2.895 . 0 0 "[ . 1 . 2]" 1
871 1 42 PHE QD 1 43 THR HA . . 4.980 4.229 3.857 4.510 . 0 0 "[ . 1 . 2]" 1
872 1 42 PHE QD 1 43 THR HB . . 5.130 5.125 4.930 5.204 0.074 15 0 "[ . 1 . 2]" 1
873 1 42 PHE QD 1 44 LYS H . . 5.410 5.042 4.696 5.386 . 0 0 "[ . 1 . 2]" 1
874 1 42 PHE QD 1 46 ALA MB . . 3.460 3.567 3.445 3.588 0.128 11 0 "[ . 1 . 2]" 1
875 1 42 PHE QE 1 43 THR H . . 5.130 3.655 3.307 3.971 . 0 0 "[ . 1 . 2]" 1
876 1 42 PHE QE 1 43 THR HA . . 4.800 4.195 3.776 4.588 . 0 0 "[ . 1 . 2]" 1
877 1 42 PHE QE 1 44 LYS H . . 4.650 4.072 3.646 4.550 . 0 0 "[ . 1 . 2]" 1
878 1 42 PHE QE 1 44 LYS HA . . 3.460 2.925 2.582 3.164 . 0 0 "[ . 1 . 2]" 1
879 1 42 PHE QE 1 46 ALA H . . 3.720 3.593 3.281 3.789 0.069 19 0 "[ . 1 . 2]" 1
880 1 42 PHE QE 1 46 ALA HA . . 2.980 2.507 2.182 2.720 . 0 0 "[ . 1 . 2]" 1
881 1 42 PHE QE 1 46 ALA MB . . 2.980 2.080 1.998 2.198 . 0 0 "[ . 1 . 2]" 1
882 1 42 PHE QE 1 47 SER H . . 4.610 4.445 3.891 4.705 0.095 15 0 "[ . 1 . 2]" 1
883 1 42 PHE HZ 1 43 THR HA . . 5.500 4.718 4.083 5.335 . 0 0 "[ . 1 . 2]" 1
884 1 42 PHE HZ 1 44 LYS HA . . 3.410 3.262 2.658 3.489 0.079 16 0 "[ . 1 . 2]" 1
885 1 42 PHE HZ 1 44 LYS HB2 . . 4.460 3.935 3.398 4.286 . 0 0 "[ . 1 . 2]" 1
886 1 42 PHE HZ 1 44 LYS HB3 . . 4.590 4.556 4.238 4.670 0.080 18 0 "[ . 1 . 2]" 1
887 1 42 PHE HZ 1 44 LYS QD . . 5.320 3.611 2.175 4.141 . 0 0 "[ . 1 . 2]" 1
888 1 42 PHE HZ 1 44 LYS QE . . 5.000 3.526 2.436 4.414 . 0 0 "[ . 1 . 2]" 1
889 1 42 PHE HZ 1 44 LYS QG . . 3.330 1.962 1.911 2.064 . 0 0 "[ . 1 . 2]" 1
890 1 42 PHE HZ 1 45 PRO HA . . 5.060 4.756 4.298 5.105 0.045 16 0 "[ . 1 . 2]" 1
891 1 42 PHE HZ 1 46 ALA H . . 4.070 3.695 3.167 4.149 0.079 16 0 "[ . 1 . 2]" 1
892 1 43 THR H 1 43 THR HB . . 3.340 2.666 2.377 3.144 . 0 0 "[ . 1 . 2]" 1
893 1 43 THR H 1 43 THR MG . . 3.790 3.783 2.724 3.900 0.110 20 0 "[ . 1 . 2]" 1
894 1 43 THR H 1 44 LYS H . . 4.390 4.288 4.133 4.448 0.058 8 0 "[ . 1 . 2]" 1
895 1 43 THR HA 1 43 THR MG . . 3.310 2.470 2.316 3.263 . 0 0 "[ . 1 . 2]" 1
896 1 43 THR HA 1 44 LYS H . . 2.660 2.230 2.129 2.372 . 0 0 "[ . 1 . 2]" 1
897 1 43 THR HA 1 44 LYS HB2 . . 4.140 4.206 4.139 4.224 0.084 9 0 "[ . 1 . 2]" 1
898 1 43 THR HA 1 44 LYS QG . . 4.590 4.577 4.245 4.694 0.104 18 0 "[ . 1 . 2]" 1
899 1 43 THR MG 1 44 LYS H . . 3.490 2.690 2.283 3.269 . 0 0 "[ . 1 . 2]" 1
900 1 43 THR MG 1 44 LYS HA . . 4.320 4.228 4.023 4.392 0.072 1 0 "[ . 1 . 2]" 1
901 1 43 THR MG 1 44 LYS HB3 . . 5.500 4.816 4.579 5.260 . 0 0 "[ . 1 . 2]" 1
902 1 44 LYS H 1 44 LYS HB2 . . 3.460 2.104 2.046 2.193 . 0 0 "[ . 1 . 2]" 1
903 1 44 LYS H 1 44 LYS HB3 . . 3.450 3.381 3.319 3.442 . 0 0 "[ . 1 . 2]" 1
904 1 44 LYS H 1 44 LYS QD . . 4.620 4.413 3.494 4.703 0.083 3 0 "[ . 1 . 2]" 1
905 1 44 LYS H 1 44 LYS QE . . 5.460 5.110 4.327 5.536 0.076 13 0 "[ . 1 . 2]" 1
906 1 44 LYS H 1 44 LYS QG . . 3.540 3.172 2.950 3.522 . 0 0 "[ . 1 . 2]" 1
907 1 44 LYS H 1 45 PRO HA . . 4.580 4.655 4.641 4.664 0.084 8 0 "[ . 1 . 2]" 1
908 1 44 LYS H 1 46 ALA H . . 5.500 5.347 5.159 5.514 0.014 13 0 "[ . 1 . 2]" 1
909 1 44 LYS HA 1 44 LYS HB2 . . 2.990 2.989 2.931 3.025 0.035 6 0 "[ . 1 . 2]" 1
910 1 44 LYS HA 1 44 LYS QD . . 4.850 3.696 3.459 4.031 . 0 0 "[ . 1 . 2]" 1
911 1 44 LYS HA 1 44 LYS QG . . 3.510 2.123 2.019 2.220 . 0 0 "[ . 1 . 2]" 1
912 1 44 LYS HA 1 45 PRO HA . . 2.760 2.469 2.361 2.555 . 0 0 "[ . 1 . 2]" 1
913 1 44 LYS HA 1 45 PRO HB2 . . 4.420 4.510 4.503 4.518 0.098 19 0 "[ . 1 . 2]" 1
914 1 44 LYS HA 1 46 ALA H . . 3.490 2.654 2.433 2.830 . 0 0 "[ . 1 . 2]" 1
915 1 44 LYS HA 1 46 ALA HA . . 3.190 3.233 3.060 3.283 0.093 6 0 "[ . 1 . 2]" 1
916 1 44 LYS HA 1 46 ALA MB . . 4.340 3.315 3.067 3.529 . 0 0 "[ . 1 . 2]" 1
917 1 44 LYS HB2 1 45 PRO HA . . 3.520 3.594 3.581 3.601 0.081 16 0 "[ . 1 . 2]" 1
918 1 44 LYS HB2 1 46 ALA H . . 4.640 4.666 4.461 4.722 0.082 17 0 "[ . 1 . 2]" 1
919 1 44 LYS HB3 1 45 PRO HA . . 3.540 2.130 2.046 2.222 . 0 0 "[ . 1 . 2]" 1
920 1 44 LYS HB3 1 45 PRO HD3 . . 5.090 3.888 3.686 4.104 . 0 0 "[ . 1 . 2]" 1
921 1 44 LYS HB3 1 46 ALA H . . 4.610 3.806 3.654 3.983 . 0 0 "[ . 1 . 2]" 1
922 1 44 LYS QD 1 46 ALA HA . . 5.460 5.499 5.063 5.558 0.098 1 0 "[ . 1 . 2]" 1
923 1 44 LYS QE 1 44 LYS QG . . 2.920 2.269 1.995 2.813 . 0 0 "[ . 1 . 2]" 1
924 1 44 LYS QG 1 45 PRO HA . . 3.930 2.523 2.010 2.791 . 0 0 "[ . 1 . 2]" 1
925 1 44 LYS QG 1 45 PRO HB2 . . 4.910 4.796 4.243 4.992 0.082 14 0 "[ . 1 . 2]" 1
926 1 44 LYS QG 1 46 ALA H . . 5.190 2.107 1.893 2.275 . 0 0 "[ . 1 . 2]" 1
927 1 44 LYS QG 1 46 ALA HA . . 4.090 3.935 3.754 4.130 0.040 17 0 "[ . 1 . 2]" 1
928 1 45 PRO HA 1 46 ALA H . . 3.030 2.276 2.192 2.394 . 0 0 "[ . 1 . 2]" 1
929 1 45 PRO HB2 1 46 ALA H . . 4.140 3.523 3.263 3.930 . 0 0 "[ . 1 . 2]" 1
930 1 45 PRO HB3 1 46 ALA H . . 4.080 3.923 3.380 4.143 0.063 2 0 "[ . 1 . 2]" 1
931 1 45 PRO QG 1 46 ALA H . . 5.190 4.713 4.517 4.977 . 0 0 "[ . 1 . 2]" 1
932 1 46 ALA H 1 46 ALA MB . . 3.020 2.235 2.170 2.304 . 0 0 "[ . 1 . 2]" 1
933 1 46 ALA MB 1 47 SER H . . 3.710 3.011 2.702 3.315 . 0 0 "[ . 1 . 2]" 1
934 1 46 ALA MB 1 47 SER HA . . 5.500 4.457 4.278 4.592 . 0 0 "[ . 1 . 2]" 1
935 1 46 ALA MB 1 48 ARG H . . 3.580 2.849 2.543 3.352 . 0 0 "[ . 1 . 2]" 1
936 1 46 ALA MB 1 49 GLU HA . . 4.710 3.932 3.650 4.306 . 0 0 "[ . 1 . 2]" 1
937 1 46 ALA MB 1 49 GLU HG2 . . 3.950 3.358 2.405 3.863 . 0 0 "[ . 1 . 2]" 1
938 1 46 ALA MB 1 49 GLU HG3 . . 4.230 2.707 2.189 3.131 . 0 0 "[ . 1 . 2]" 1
939 1 47 SER H 1 47 SER HB2 . . 3.650 2.463 2.149 3.524 . 0 0 "[ . 1 . 2]" 1
940 1 47 SER H 1 47 SER HB3 . . 3.860 3.076 2.195 3.628 . 0 0 "[ . 1 . 2]" 1
941 1 47 SER H 1 48 ARG H . . 3.090 2.616 2.401 2.796 . 0 0 "[ . 1 . 2]" 1
942 1 47 SER H 1 48 ARG QG . . 5.390 4.326 3.819 5.042 . 0 0 "[ . 1 . 2]" 1
943 1 47 SER HA 1 47 SER HB3 . . 3.050 2.757 2.225 3.055 0.005 13 0 "[ . 1 . 2]" 1
944 1 47 SER HB2 1 48 ARG H . . 4.580 3.587 2.888 4.176 . 0 0 "[ . 1 . 2]" 1
945 1 47 SER HB2 1 48 ARG HA . . 5.310 5.581 4.625 6.160 0.850 13 9 "[ * -.** 1 *+*. ** 2]" 1
946 1 47 SER HB3 1 48 ARG H . . 4.480 3.513 2.590 4.222 . 0 0 "[ . 1 . 2]" 1
947 1 48 ARG H 1 48 ARG QD . . 5.500 4.401 3.705 4.869 . 0 0 "[ . 1 . 2]" 1
948 1 48 ARG H 1 48 ARG QG . . 3.790 2.628 2.251 3.408 . 0 0 "[ . 1 . 2]" 1
949 1 48 ARG H 1 49 GLU H . . 4.320 4.306 4.219 4.390 0.070 5 0 "[ . 1 . 2]" 1
950 1 48 ARG H 1 49 GLU HA . . 5.500 4.616 4.410 4.796 . 0 0 "[ . 1 . 2]" 1
951 1 48 ARG HA 1 48 ARG HB3 . . 3.050 2.412 2.280 2.683 . 0 0 "[ . 1 . 2]" 1
952 1 48 ARG HA 1 48 ARG QG . . 3.950 3.320 2.403 3.518 . 0 0 "[ . 1 . 2]" 1
953 1 48 ARG HA 1 49 GLU H . . 2.790 2.460 2.357 2.563 . 0 0 "[ . 1 . 2]" 1
954 1 48 ARG HA 1 49 GLU HA . . 4.460 4.511 4.468 4.535 0.075 3 0 "[ . 1 . 2]" 1
955 1 48 ARG HA 1 49 GLU HG3 . . 4.960 3.987 3.614 4.626 . 0 0 "[ . 1 . 2]" 1
956 1 48 ARG HB2 1 49 GLU H . . 3.800 2.460 2.217 3.321 . 0 0 "[ . 1 . 2]" 1
957 1 48 ARG HB3 1 48 ARG QD . . 3.780 2.960 2.221 3.573 . 0 0 "[ . 1 . 2]" 1
958 1 48 ARG HB3 1 49 GLU H . . 3.950 3.588 2.095 3.864 . 0 0 "[ . 1 . 2]" 1
959 1 48 ARG QD 1 49 GLU H . . 4.860 3.986 3.043 4.532 . 0 0 "[ . 1 . 2]" 1
960 1 48 ARG QD 1 50 LEU QD . . 4.520 2.253 1.792 2.739 . 0 0 "[ . 1 . 2]" 1
961 1 48 ARG QG 1 49 GLU H . . 4.660 3.823 2.399 4.271 . 0 0 "[ . 1 . 2]" 1
962 1 48 ARG QG 1 50 LEU QD . . 5.500 3.447 2.665 4.116 . 0 0 "[ . 1 . 2]" 1
963 1 49 GLU H 1 49 GLU QB . . 3.060 2.628 2.460 2.865 . 0 0 "[ . 1 . 2]" 1
964 1 49 GLU H 1 49 GLU HG3 . . 3.730 3.520 3.268 3.792 0.062 17 0 "[ . 1 . 2]" 1
965 1 49 GLU HA 1 49 GLU HG2 . . 3.840 2.616 2.260 3.365 . 0 0 "[ . 1 . 2]" 1
966 1 49 GLU HA 1 49 GLU HG3 . . 4.010 2.711 2.292 3.343 . 0 0 "[ . 1 . 2]" 1
967 1 49 GLU HA 1 50 LEU H . . 2.800 2.152 2.076 2.253 . 0 0 "[ . 1 . 2]" 1
968 1 49 GLU HA 1 50 LEU QD . . 5.500 4.049 3.213 4.600 . 0 0 "[ . 1 . 2]" 1
969 1 49 GLU QB 1 50 LEU H . . 3.570 3.508 2.707 3.680 0.110 8 0 "[ . 1 . 2]" 1
970 1 49 GLU QB 1 50 LEU HA . . 5.460 4.529 4.037 4.712 . 0 0 "[ . 1 . 2]" 1
971 1 49 GLU HG3 1 50 LEU H . . 4.800 4.794 4.135 5.343 0.543 14 1 "[ . 1 +. 2]" 1
972 1 50 LEU H 1 50 LEU HB2 . . 3.620 2.631 2.431 3.670 0.050 14 0 "[ . 1 . 2]" 1
973 1 50 LEU H 1 50 LEU HB3 . . 4.040 3.641 2.687 3.860 . 0 0 "[ . 1 . 2]" 1
974 1 50 LEU H 1 50 LEU QD . . 4.200 2.870 2.094 3.547 . 0 0 "[ . 1 . 2]" 1
975 1 50 LEU H 1 50 LEU HG . . 4.020 3.086 2.228 4.101 0.081 16 0 "[ . 1 . 2]" 1
976 1 50 LEU H 1 51 SER H . . 4.810 4.543 4.251 4.716 . 0 0 "[ . 1 . 2]" 1
977 1 50 LEU HA 1 50 LEU QD . . 2.980 2.272 2.125 3.009 0.029 14 0 "[ . 1 . 2]" 1
978 1 50 LEU HA 1 50 LEU HG . . 3.760 3.378 2.954 3.826 0.066 3 0 "[ . 1 . 2]" 1
979 1 50 LEU HA 1 51 SER H . . 2.910 2.343 2.035 2.649 . 0 0 "[ . 1 . 2]" 1
980 1 50 LEU HA 1 51 SER QB . . 4.150 4.110 3.854 4.253 0.103 9 0 "[ . 1 . 2]" 1
981 1 50 LEU HA 1 61 ASP H . . 5.010 4.536 4.052 4.925 . 0 0 "[ . 1 . 2]" 1
982 1 50 LEU HA 1 61 ASP HB2 . . 3.830 3.070 2.496 3.548 . 0 0 "[ . 1 . 2]" 1
983 1 50 LEU HA 1 61 ASP HB3 . . 4.270 3.620 2.708 4.199 . 0 0 "[ . 1 . 2]" 1
984 1 50 LEU HB2 1 51 SER H . . 4.710 3.691 3.101 4.372 . 0 0 "[ . 1 . 2]" 1
985 1 50 LEU HB2 1 61 ASP HB2 . . 4.650 4.689 2.284 5.382 0.732 15 4 "[ * . * 1 + -]" 1
986 1 50 LEU HB2 1 62 VAL QG . . 3.880 3.601 2.985 3.975 0.095 17 0 "[ . 1 . 2]" 1
987 1 50 LEU HB3 1 51 SER H . . 4.230 2.825 2.134 4.281 0.051 14 0 "[ . 1 . 2]" 1
988 1 50 LEU HB3 1 61 ASP HB2 . . 4.260 3.249 2.604 3.902 . 0 0 "[ . 1 . 2]" 1
989 1 50 LEU HB3 1 61 ASP HB3 . . 3.890 2.697 2.250 3.883 . 0 0 "[ . 1 . 2]" 1
990 1 50 LEU HB3 1 62 VAL QG . . 4.500 2.774 2.241 4.001 . 0 0 "[ . 1 . 2]" 1
991 1 50 LEU QD 1 51 SER H . . 3.840 3.562 2.787 3.795 . 0 0 "[ . 1 . 2]" 1
992 1 50 LEU QD 1 61 ASP H . . 5.060 4.661 3.853 4.973 . 0 0 "[ . 1 . 2]" 1
993 1 50 LEU QD 1 61 ASP HB2 . . 3.330 2.992 2.506 3.266 . 0 0 "[ . 1 . 2]" 1
994 1 50 LEU QD 1 61 ASP HB3 . . 3.190 2.679 2.123 3.214 0.024 2 0 "[ . 1 . 2]" 1
995 1 50 LEU QD 1 108 LEU HA . . 4.950 4.598 4.080 4.862 . 0 0 "[ . 1 . 2]" 1
996 1 50 LEU QD 1 108 LEU HB2 . . 4.660 4.466 3.992 4.690 0.030 17 0 "[ . 1 . 2]" 1
997 1 50 LEU QD 1 108 LEU HB3 . . 4.410 3.306 2.815 3.556 . 0 0 "[ . 1 . 2]" 1
998 1 50 LEU QD 1 108 LEU QD . . 3.610 2.446 1.986 2.941 . 0 0 "[ . 1 . 2]" 1
999 1 50 LEU HG 1 51 SER H . . 4.930 4.961 4.678 5.021 0.091 20 0 "[ . 1 . 2]" 1
1000 1 51 SER H 1 51 SER QB . . 3.450 2.557 2.258 2.747 . 0 0 "[ . 1 . 2]" 1
1001 1 51 SER H 1 52 VAL H . . 5.040 4.495 4.282 4.710 . 0 0 "[ . 1 . 2]" 1
1002 1 51 SER H 1 60 GLY HA3 . . 5.380 4.747 4.165 5.073 . 0 0 "[ . 1 . 2]" 1
1003 1 51 SER H 1 61 ASP H . . 3.810 2.728 2.486 2.895 . 0 0 "[ . 1 . 2]" 1
1004 1 51 SER H 1 61 ASP HA . . 4.920 4.840 4.429 5.001 0.081 13 0 "[ . 1 . 2]" 1
1005 1 51 SER H 1 61 ASP HB2 . . 3.520 2.464 1.912 3.152 . 0 0 "[ . 1 . 2]" 1
1006 1 51 SER H 1 61 ASP HB3 . . 3.870 3.166 2.335 3.940 0.070 13 0 "[ . 1 . 2]" 1
1007 1 51 SER H 1 62 VAL H . . 4.240 3.886 3.432 4.302 0.062 8 0 "[ . 1 . 2]" 1
1008 1 51 SER HA 1 52 VAL H . . 2.790 2.295 2.142 2.487 . 0 0 "[ . 1 . 2]" 1
1009 1 51 SER HA 1 52 VAL HB . . 4.400 4.440 4.100 4.494 0.094 17 0 "[ . 1 . 2]" 1
1010 1 51 SER HA 1 52 VAL MG2 . . 4.270 3.480 2.949 3.823 . 0 0 "[ . 1 . 2]" 1
1011 1 51 SER QB 1 52 VAL H . . 3.550 3.225 2.574 3.630 0.080 16 0 "[ . 1 . 2]" 1
1012 1 51 SER QB 1 53 THR MG . . 4.860 3.746 3.030 4.364 . 0 0 "[ . 1 . 2]" 1
1013 1 51 SER QB 1 61 ASP H . . 4.400 2.973 2.159 3.918 . 0 0 "[ . 1 . 2]" 1
1014 1 52 VAL H 1 52 VAL HB . . 3.390 2.409 2.205 2.733 . 0 0 "[ . 1 . 2]" 1
1015 1 52 VAL H 1 52 VAL MG1 . . 4.670 3.780 3.578 3.930 . 0 0 "[ . 1 . 2]" 1
1016 1 52 VAL H 1 52 VAL MG2 . . 3.110 2.614 2.253 3.089 . 0 0 "[ . 1 . 2]" 1
1017 1 52 VAL H 1 53 THR MG . . 5.240 4.384 3.644 4.922 . 0 0 "[ . 1 . 2]" 1
1018 1 52 VAL H 1 62 VAL QG . . 5.380 5.027 4.512 5.445 0.065 5 0 "[ . 1 . 2]" 1
1019 1 52 VAL HA 1 52 VAL MG1 . . 3.260 2.471 2.341 2.674 . 0 0 "[ . 1 . 2]" 1
1020 1 52 VAL HA 1 52 VAL MG2 . . 3.350 2.443 2.275 2.661 . 0 0 "[ . 1 . 2]" 1
1021 1 52 VAL HA 1 53 THR H . . 2.750 2.329 2.237 2.509 . 0 0 "[ . 1 . 2]" 1
1022 1 52 VAL HA 1 53 THR HA . . 4.790 4.552 4.457 4.638 . 0 0 "[ . 1 . 2]" 1
1023 1 52 VAL HA 1 53 THR MG . . 4.740 3.952 3.668 4.362 . 0 0 "[ . 1 . 2]" 1
1024 1 52 VAL HA 1 60 GLY HA3 . . 4.530 3.427 2.469 4.177 . 0 0 "[ . 1 . 2]" 1
1025 1 52 VAL HA 1 61 ASP H . . 5.010 4.400 3.637 5.013 0.003 13 0 "[ . 1 . 2]" 1
1026 1 52 VAL HA 1 62 VAL HB . . 3.360 2.880 2.162 3.428 0.068 14 0 "[ . 1 . 2]" 1
1027 1 52 VAL HA 1 62 VAL QG . . 3.980 3.525 3.052 4.039 0.059 5 0 "[ . 1 . 2]" 1
1028 1 52 VAL HA 1 63 VAL HA . . 4.000 3.882 3.583 4.072 0.072 6 0 "[ . 1 . 2]" 1
1029 1 52 VAL MG1 1 53 THR H . . 3.260 2.378 1.946 2.711 . 0 0 "[ . 1 . 2]" 1
1030 1 52 VAL MG1 1 53 THR HA . . 4.620 3.640 3.228 4.123 . 0 0 "[ . 1 . 2]" 1
1031 1 52 VAL MG1 1 54 PHE H . . 5.500 4.489 3.987 5.130 . 0 0 "[ . 1 . 2]" 1
1032 1 52 VAL MG1 1 54 PHE QE . . 5.190 3.581 2.182 4.670 . 0 0 "[ . 1 . 2]" 1
1033 1 52 VAL MG1 1 63 VAL HA . . 4.190 3.319 2.848 3.757 . 0 0 "[ . 1 . 2]" 1
1034 1 52 VAL MG1 1 64 ALA H . . 4.010 3.635 3.145 4.090 0.080 2 0 "[ . 1 . 2]" 1
1035 1 52 VAL MG1 1 64 ALA MB . . 3.310 2.348 1.987 2.741 . 0 0 "[ . 1 . 2]" 1
1036 1 52 VAL MG2 1 61 ASP H . . 5.500 5.171 4.080 5.598 0.098 2 0 "[ . 1 . 2]" 1
1037 1 52 VAL MG2 1 62 VAL HB . . 3.440 2.221 1.937 2.877 . 0 0 "[ . 1 . 2]" 1
1038 1 53 THR H 1 53 THR MG . . 4.120 3.258 3.018 3.607 . 0 0 "[ . 1 . 2]" 1
1039 1 53 THR H 1 54 PHE H . . 5.500 4.376 4.230 4.467 . 0 0 "[ . 1 . 2]" 1
1040 1 53 THR H 1 63 VAL HA . . 3.590 2.487 2.150 2.957 . 0 0 "[ . 1 . 2]" 1
1041 1 53 THR H 1 64 ALA H . . 4.240 3.750 3.386 4.192 . 0 0 "[ . 1 . 2]" 1
1042 1 53 THR HA 1 53 THR MG . . 3.080 2.262 2.139 2.426 . 0 0 "[ . 1 . 2]" 1
1043 1 53 THR HA 1 54 PHE H . . 2.930 2.279 2.133 2.666 . 0 0 "[ . 1 . 2]" 1
1044 1 53 THR HA 1 54 PHE HB2 . . 4.650 4.587 4.307 4.710 0.060 14 0 "[ . 1 . 2]" 1
1045 1 53 THR HA 1 54 PHE QD . . 4.460 4.232 3.856 4.546 0.086 14 0 "[ . 1 . 2]" 1
1046 1 53 THR HA 1 57 ASP HB3 . . 4.560 3.975 3.186 4.747 0.187 3 0 "[ . 1 . 2]" 1
1047 1 53 THR HB 1 54 PHE H . . 3.320 2.942 2.422 3.358 0.038 15 0 "[ . 1 . 2]" 1
1048 1 53 THR HB 1 54 PHE HA . . 5.190 4.825 4.509 5.019 . 0 0 "[ . 1 . 2]" 1
1049 1 53 THR HB 1 54 PHE QD . . 5.500 5.528 5.285 5.605 0.105 2 0 "[ . 1 . 2]" 1
1050 1 53 THR HB 1 57 ASP H . . 4.410 4.353 3.981 4.483 0.073 11 0 "[ . 1 . 2]" 1
1051 1 53 THR HB 1 57 ASP HB2 . . 3.870 3.484 2.058 3.946 0.076 17 0 "[ . 1 . 2]" 1
1052 1 53 THR HB 1 57 ASP HB3 . . 3.660 2.264 1.990 2.540 . 0 0 "[ . 1 . 2]" 1
1053 1 53 THR HB 1 58 LEU H . . 5.390 4.242 3.717 4.816 . 0 0 "[ . 1 . 2]" 1
1054 1 53 THR HB 1 59 ASN H . . 4.610 3.395 2.923 4.147 . 0 0 "[ . 1 . 2]" 1
1055 1 53 THR HB 1 60 GLY H . . 4.520 3.626 3.326 4.086 . 0 0 "[ . 1 . 2]" 1
1056 1 53 THR MG 1 54 PHE H . . 3.820 3.681 3.384 3.887 0.067 19 0 "[ . 1 . 2]" 1
1057 1 53 THR MG 1 57 ASP HB2 . . 5.010 4.235 3.644 4.679 . 0 0 "[ . 1 . 2]" 1
1058 1 53 THR MG 1 57 ASP HB3 . . 4.850 3.405 2.817 3.898 . 0 0 "[ . 1 . 2]" 1
1059 1 53 THR MG 1 59 ASN H . . 3.300 2.556 1.893 3.163 . 0 0 "[ . 1 . 2]" 1
1060 1 53 THR MG 1 59 ASN HA . . 4.790 4.412 3.989 4.875 0.085 14 0 "[ . 1 . 2]" 1
1061 1 53 THR MG 1 59 ASN HB2 . . 3.290 2.615 2.247 3.995 0.705 4 1 "[ +. 1 . 2]" 1
1062 1 53 THR MG 1 59 ASN HB3 . . 3.890 3.819 2.519 3.997 0.107 7 0 "[ . 1 . 2]" 1
1063 1 53 THR MG 1 59 ASN HD21 . . 5.500 3.423 2.125 4.452 . 0 0 "[ . 1 . 2]" 1
1064 1 53 THR MG 1 59 ASN HD22 . . 5.500 4.925 3.458 5.599 0.099 16 0 "[ . 1 . 2]" 1
1065 1 53 THR MG 1 60 GLY H . . 3.140 2.069 1.688 2.429 . 0 0 "[ . 1 . 2]" 1
1066 1 53 THR MG 1 60 GLY HA2 . . 3.540 3.105 2.793 3.521 . 0 0 "[ . 1 . 2]" 1
1067 1 53 THR MG 1 60 GLY HA3 . . 3.430 2.408 2.179 3.081 . 0 0 "[ . 1 . 2]" 1
1068 1 53 THR MG 1 61 ASP H . . 5.110 4.647 4.270 5.088 . 0 0 "[ . 1 . 2]" 1
1069 1 54 PHE H 1 54 PHE HB2 . . 3.840 2.458 2.369 2.618 . 0 0 "[ . 1 . 2]" 1
1070 1 54 PHE H 1 54 PHE HB3 . . 3.760 3.628 3.581 3.755 . 0 0 "[ . 1 . 2]" 1
1071 1 54 PHE H 1 54 PHE QD . . 3.690 3.146 2.775 3.488 . 0 0 "[ . 1 . 2]" 1
1072 1 54 PHE H 1 54 PHE QE . . 5.130 4.848 4.544 5.207 0.077 20 0 "[ . 1 . 2]" 1
1073 1 54 PHE H 1 55 PHE H . . 5.500 4.487 4.323 4.601 . 0 0 "[ . 1 . 2]" 1
1074 1 54 PHE H 1 57 ASP H . . 5.350 4.869 4.007 5.400 0.050 18 0 "[ . 1 . 2]" 1
1075 1 54 PHE H 1 57 ASP HB2 . . 4.990 3.930 2.413 5.027 0.037 18 0 "[ . 1 . 2]" 1
1076 1 54 PHE H 1 57 ASP HB3 . . 4.240 3.107 2.082 4.856 0.616 3 1 "[ + . 1 . 2]" 1
1077 1 54 PHE HA 1 54 PHE QD . . 3.250 2.377 2.073 2.646 . 0 0 "[ . 1 . 2]" 1
1078 1 54 PHE HA 1 54 PHE QE . . 5.140 4.537 4.405 4.672 . 0 0 "[ . 1 . 2]" 1
1079 1 54 PHE HA 1 55 PHE H . . 3.080 2.240 2.138 2.296 . 0 0 "[ . 1 . 2]" 1
1080 1 54 PHE HA 1 55 PHE HB2 . . 4.270 4.252 4.053 4.316 0.046 9 0 "[ . 1 . 2]" 1
1081 1 54 PHE HA 1 64 ALA H . . 3.520 3.128 2.804 3.468 . 0 0 "[ . 1 . 2]" 1
1082 1 54 PHE HA 1 64 ALA MB . . 3.220 2.176 2.063 2.426 . 0 0 "[ . 1 . 2]" 1
1083 1 54 PHE HB2 1 55 PHE H . . 4.560 4.277 4.180 4.447 . 0 0 "[ . 1 . 2]" 1
1084 1 54 PHE HB2 1 64 ALA MB . . 5.500 4.585 4.440 4.695 . 0 0 "[ . 1 . 2]" 1
1085 1 54 PHE HB3 1 55 PHE H . . 4.110 3.423 3.256 3.681 . 0 0 "[ . 1 . 2]" 1
1086 1 54 PHE HB3 1 64 ALA MB . . 5.280 3.801 3.626 4.022 . 0 0 "[ . 1 . 2]" 1
1087 1 54 PHE QD 1 55 PHE H . . 4.050 4.106 3.977 4.147 0.097 15 0 "[ . 1 . 2]" 1
1088 1 54 PHE QD 1 64 ALA HA . . 4.870 4.835 4.552 4.958 0.088 6 0 "[ . 1 . 2]" 1
1089 1 54 PHE QD 1 64 ALA MB . . 2.780 2.062 1.901 2.233 . 0 0 "[ . 1 . 2]" 1
1090 1 54 PHE QD 1 88 HIS HD2 . . 3.790 3.376 2.600 3.890 0.100 20 0 "[ . 1 . 2]" 1
1091 1 54 PHE QD 1 88 HIS HE1 . . 4.540 3.865 3.250 4.603 0.063 11 0 "[ . 1 . 2]" 1
1092 1 54 PHE QD 1 91 GLN QG . . 4.100 3.154 2.236 3.868 . 0 0 "[ . 1 . 2]" 1
1093 1 54 PHE QE 1 64 ALA MB . . 3.790 2.964 2.657 3.177 . 0 0 "[ . 1 . 2]" 1
1094 1 54 PHE QE 1 88 HIS QB . . 3.330 2.483 2.131 3.414 0.084 11 0 "[ . 1 . 2]" 1
1095 1 54 PHE QE 1 91 GLN H . . 4.690 4.596 4.242 4.788 0.098 15 0 "[ . 1 . 2]" 1
1096 1 54 PHE QE 1 91 GLN HA . . 3.920 2.954 2.519 3.443 . 0 0 "[ . 1 . 2]" 1
1097 1 54 PHE QE 1 91 GLN HB2 . . 4.900 4.226 3.641 4.930 0.030 7 0 "[ . 1 . 2]" 1
1098 1 54 PHE QE 1 91 GLN HB3 . . 4.260 2.713 2.027 3.564 . 0 0 "[ . 1 . 2]" 1
1099 1 54 PHE QE 1 91 GLN HE21 . . 5.220 4.962 4.019 5.389 0.169 2 0 "[ . 1 . 2]" 1
1100 1 54 PHE QE 1 91 GLN HE22 . . 5.280 5.068 3.704 5.391 0.111 16 0 "[ . 1 . 2]" 1
1101 1 54 PHE QE 1 91 GLN QG . . 4.480 3.058 2.014 3.541 . 0 0 "[ . 1 . 2]" 1
1102 1 54 PHE HZ 1 64 ALA MB . . 4.810 4.755 4.205 4.917 0.107 15 0 "[ . 1 . 2]" 1
1103 1 54 PHE HZ 1 88 HIS QB . . 4.180 4.058 3.063 4.262 0.082 11 0 "[ . 1 . 2]" 1
1104 1 54 PHE HZ 1 91 GLN HB2 . . 5.190 4.608 4.008 5.253 0.063 11 0 "[ . 1 . 2]" 1
1105 1 54 PHE HZ 1 91 GLN HB3 . . 4.480 3.023 2.385 3.778 . 0 0 "[ . 1 . 2]" 1
1106 1 55 PHE H 1 55 PHE HB2 . . 3.460 2.048 1.942 2.124 . 0 0 "[ . 1 . 2]" 1
1107 1 55 PHE H 1 55 PHE HB3 . . 3.450 3.208 3.109 3.303 . 0 0 "[ . 1 . 2]" 1
1108 1 55 PHE H 1 55 PHE QD . . 4.720 3.299 3.139 3.460 . 0 0 "[ . 1 . 2]" 1
1109 1 55 PHE H 1 56 PRO HA . . 4.590 4.669 4.648 4.678 0.088 20 0 "[ . 1 . 2]" 1
1110 1 55 PHE H 1 63 VAL QG . . 3.810 3.533 3.246 3.837 0.027 6 0 "[ . 1 . 2]" 1
1111 1 55 PHE H 1 64 ALA H . . 3.920 3.422 3.202 3.669 . 0 0 "[ . 1 . 2]" 1
1112 1 55 PHE H 1 64 ALA MB . . 4.440 3.433 3.121 3.650 . 0 0 "[ . 1 . 2]" 1
1113 1 55 PHE H 1 65 ILE MD . . 4.850 3.893 3.600 4.314 . 0 0 "[ . 1 . 2]" 1
1114 1 55 PHE HA 1 55 PHE QD . . 3.890 2.534 2.313 3.001 . 0 0 "[ . 1 . 2]" 1
1115 1 55 PHE HA 1 55 PHE QE . . 5.100 4.342 4.219 4.523 . 0 0 "[ . 1 . 2]" 1
1116 1 55 PHE HA 1 56 PRO HA . . 2.940 2.176 2.050 2.438 . 0 0 "[ . 1 . 2]" 1
1117 1 55 PHE HA 1 56 PRO HB2 . . 4.660 4.656 4.627 4.691 0.031 18 0 "[ . 1 . 2]" 1
1118 1 55 PHE HA 1 56 PRO HB3 . . 4.630 4.379 4.206 4.620 . 0 0 "[ . 1 . 2]" 1
1119 1 55 PHE HA 1 57 ASP H . . 3.180 1.906 1.525 2.597 . 0 0 "[ . 1 . 2]" 1
1120 1 55 PHE HA 1 57 ASP HB2 . . 5.370 4.450 3.932 4.880 . 0 0 "[ . 1 . 2]" 1
1121 1 55 PHE HA 1 57 ASP HB3 . . 5.070 4.146 3.369 5.185 0.115 1 0 "[ . 1 . 2]" 1
1122 1 55 PHE HA 1 58 LEU QD . . 3.930 3.806 3.240 3.971 0.041 3 0 "[ . 1 . 2]" 1
1123 1 55 PHE HA 1 63 VAL QG . . 3.880 3.674 3.473 3.921 0.041 6 0 "[ . 1 . 2]" 1
1124 1 55 PHE HA 1 65 ILE MD . . 4.950 4.548 4.267 4.963 0.013 13 0 "[ . 1 . 2]" 1
1125 1 55 PHE HB2 1 63 VAL QG . . 4.270 3.668 3.370 4.040 . 0 0 "[ . 1 . 2]" 1
1126 1 55 PHE HB2 1 65 ILE HA . . 4.210 3.002 2.408 3.492 . 0 0 "[ . 1 . 2]" 1
1127 1 55 PHE HB2 1 65 ILE MD . . 3.580 2.464 2.245 2.800 . 0 0 "[ . 1 . 2]" 1
1128 1 55 PHE HB2 1 66 ASP H . . 5.500 4.445 3.783 5.006 . 0 0 "[ . 1 . 2]" 1
1129 1 55 PHE HB3 1 56 PRO HA . . 4.440 3.248 2.893 3.538 . 0 0 "[ . 1 . 2]" 1
1130 1 55 PHE HB3 1 58 LEU QD . . 5.500 5.313 4.843 5.469 . 0 0 "[ . 1 . 2]" 1
1131 1 55 PHE HB3 1 65 ILE MD . . 3.410 3.437 3.254 3.507 0.097 8 0 "[ . 1 . 2]" 1
1132 1 55 PHE QD 1 56 PRO HA . . 3.790 2.915 2.440 3.314 . 0 0 "[ . 1 . 2]" 1
1133 1 55 PHE QD 1 56 PRO HB3 . . 5.200 3.321 2.677 4.053 . 0 0 "[ . 1 . 2]" 1
1134 1 55 PHE QD 1 56 PRO QD . . 4.770 4.105 3.420 4.674 . 0 0 "[ . 1 . 2]" 1
1135 1 55 PHE QD 1 58 LEU QD . . 3.360 3.337 3.152 3.407 0.047 8 0 "[ . 1 . 2]" 1
1136 1 55 PHE QD 1 63 VAL QG . . 3.590 2.090 1.995 2.285 . 0 0 "[ . 1 . 2]" 1
1137 1 55 PHE QD 1 65 ILE MD . . 3.820 2.952 2.345 3.438 . 0 0 "[ . 1 . 2]" 1
1138 1 55 PHE QD 1 80 LEU QD . . 3.730 3.567 3.137 3.782 0.052 14 0 "[ . 1 . 2]" 1
1139 1 55 PHE QE 1 56 PRO HA . . 4.500 3.876 3.620 4.293 . 0 0 "[ . 1 . 2]" 1
1140 1 55 PHE QE 1 56 PRO HB2 . . 4.830 5.035 4.506 5.812 0.982 12 3 "[ *. 1 + .- 2]" 1
1141 1 55 PHE QE 1 58 LEU QD . . 3.470 2.326 2.074 2.566 . 0 0 "[ . 1 . 2]" 1
1142 1 55 PHE QE 1 65 ILE MD . . 4.680 3.406 2.955 4.127 . 0 0 "[ . 1 . 2]" 1
1143 1 55 PHE QE 1 80 LEU QD . . 3.560 2.372 2.047 2.949 . 0 0 "[ . 1 . 2]" 1
1144 1 56 PRO HA 1 58 LEU QD . . 3.790 3.235 2.556 3.669 . 0 0 "[ . 1 . 2]" 1
1145 1 56 PRO QG 1 57 ASP H . . 5.050 4.374 3.172 4.825 . 0 0 "[ . 1 . 2]" 1
1146 1 57 ASP H 1 57 ASP HB2 . . 3.470 3.141 2.356 3.539 0.069 18 0 "[ . 1 . 2]" 1
1147 1 57 ASP H 1 57 ASP HB3 . . 3.570 3.058 2.663 3.548 . 0 0 "[ . 1 . 2]" 1
1148 1 57 ASP H 1 58 LEU H . . 4.590 4.004 3.679 4.512 . 0 0 "[ . 1 . 2]" 1
1149 1 57 ASP H 1 58 LEU QD . . 5.250 3.422 2.544 4.846 . 0 0 "[ . 1 . 2]" 1
1150 1 57 ASP HA 1 58 LEU H . . 2.680 2.211 2.139 2.313 . 0 0 "[ . 1 . 2]" 1
1151 1 57 ASP HA 1 58 LEU QD . . 5.010 3.054 2.443 4.085 . 0 0 "[ . 1 . 2]" 1
1152 1 57 ASP HB2 1 58 LEU H . . 4.570 4.376 4.106 4.566 . 0 0 "[ . 1 . 2]" 1
1153 1 57 ASP HB3 1 58 LEU H . . 5.090 4.018 3.320 4.340 . 0 0 "[ . 1 . 2]" 1
1154 1 58 LEU H 1 58 LEU HB2 . . 3.820 3.828 3.720 3.894 0.074 2 0 "[ . 1 . 2]" 1
1155 1 58 LEU H 1 58 LEU HB3 . . 3.610 3.411 3.085 3.570 . 0 0 "[ . 1 . 2]" 1
1156 1 58 LEU H 1 58 LEU QD . . 3.940 2.482 1.744 3.144 . 0 0 "[ . 1 . 2]" 1
1157 1 58 LEU H 1 58 LEU HG . . 3.350 2.592 2.184 3.440 0.090 6 0 "[ . 1 . 2]" 1
1158 1 58 LEU H 1 59 ASN HB2 . . 5.360 4.360 3.771 4.814 . 0 0 "[ . 1 . 2]" 1
1159 1 58 LEU HA 1 58 LEU HG . . 3.850 3.742 3.638 3.895 0.045 6 0 "[ . 1 . 2]" 1
1160 1 58 LEU HA 1 60 GLY H . . 4.510 3.385 2.957 4.022 . 0 0 "[ . 1 . 2]" 1
1161 1 58 LEU HA 1 63 VAL QG . . 3.080 2.184 2.015 2.491 . 0 0 "[ . 1 . 2]" 1
1162 1 58 LEU HB2 1 83 LYS QE . . 4.070 2.712 2.226 3.441 . 0 0 "[ . 1 . 2]" 1
1163 1 58 LEU QD 1 59 ASN H . . 5.110 4.158 3.027 4.548 . 0 0 "[ . 1 . 2]" 1
1164 1 58 LEU HG 1 59 ASN H . . 4.390 4.198 3.804 4.467 0.077 6 0 "[ . 1 . 2]" 1
1165 1 58 LEU HG 1 59 ASN HA . . 4.810 4.605 4.068 4.872 0.062 14 0 "[ . 1 . 2]" 1
1166 1 59 ASN H 1 59 ASN HB2 . . 3.110 2.458 2.358 3.037 . 0 0 "[ . 1 . 2]" 1
1167 1 59 ASN H 1 59 ASN HB3 . . 3.540 3.522 1.945 3.625 0.085 5 0 "[ . 1 . 2]" 1
1168 1 59 ASN H 1 59 ASN HD21 . . 3.960 2.327 1.947 3.038 . 0 0 "[ . 1 . 2]" 1
1169 1 59 ASN H 1 59 ASN HD22 . . 4.400 3.751 3.137 4.499 0.099 4 0 "[ . 1 . 2]" 1
1170 1 59 ASN H 1 60 GLY H . . 3.360 2.329 1.994 2.540 . 0 0 "[ . 1 . 2]" 1
1171 1 59 ASN H 1 60 GLY HA3 . . 5.140 4.613 4.243 4.859 . 0 0 "[ . 1 . 2]" 1
1172 1 59 ASN HA 1 59 ASN HB3 . . 2.970 2.540 2.397 2.986 0.016 4 0 "[ . 1 . 2]" 1
1173 1 59 ASN HA 1 59 ASN HD22 . . 5.170 4.218 3.454 4.628 . 0 0 "[ . 1 . 2]" 1
1174 1 59 ASN HA 1 63 VAL QG . . 5.500 5.152 4.746 5.419 . 0 0 "[ . 1 . 2]" 1
1175 1 59 ASN HB2 1 59 ASN HD21 . . 3.590 2.411 2.140 3.485 . 0 0 "[ . 1 . 2]" 1
1176 1 59 ASN HB2 1 59 ASN HD22 . . 4.050 3.622 3.469 4.097 0.047 4 0 "[ . 1 . 2]" 1
1177 1 59 ASN HB2 1 60 GLY H . . 4.330 3.070 2.519 4.419 0.089 4 0 "[ . 1 . 2]" 1
1178 1 59 ASN HB2 1 60 GLY HA2 . . 5.080 4.492 3.988 5.897 0.817 4 1 "[ +. 1 . 2]" 1
1179 1 59 ASN HB3 1 60 GLY H . . 4.600 3.819 3.151 4.184 . 0 0 "[ . 1 . 2]" 1
1180 1 60 GLY H 1 63 VAL QG . . 4.760 3.925 3.176 4.614 . 0 0 "[ . 1 . 2]" 1
1181 1 60 GLY HA2 1 61 ASP H . . 2.960 2.452 2.216 2.725 . 0 0 "[ . 1 . 2]" 1
1182 1 60 GLY HA2 1 62 VAL H . . 4.080 4.058 3.623 4.165 0.085 4 0 "[ . 1 . 2]" 1
1183 1 60 GLY HA3 1 61 ASP H . . 3.500 2.725 2.261 3.050 . 0 0 "[ . 1 . 2]" 1
1184 1 60 GLY HA3 1 62 VAL H . . 3.540 3.110 2.708 3.442 . 0 0 "[ . 1 . 2]" 1
1185 1 61 ASP H 1 61 ASP HB2 . . 3.560 2.304 2.043 2.678 . 0 0 "[ . 1 . 2]" 1
1186 1 61 ASP H 1 61 ASP HB3 . . 3.830 3.056 2.384 3.537 . 0 0 "[ . 1 . 2]" 1
1187 1 61 ASP H 1 62 VAL H . . 3.130 2.455 1.956 2.775 . 0 0 "[ . 1 . 2]" 1
1188 1 61 ASP H 1 62 VAL HB . . 5.020 4.779 4.245 5.083 0.063 14 0 "[ . 1 . 2]" 1
1189 1 61 ASP H 1 62 VAL QG . . 4.950 4.129 3.791 4.349 . 0 0 "[ . 1 . 2]" 1
1190 1 61 ASP HA 1 61 ASP HB3 . . 3.050 2.930 2.634 3.050 . 0 0 "[ . 1 . 2]" 1
1191 1 61 ASP HA 1 62 VAL QG . . 4.400 4.177 4.069 4.304 . 0 0 "[ . 1 . 2]" 1
1192 1 61 ASP HA 1 83 LYS HD2 . . 4.680 4.296 3.198 4.747 0.067 8 0 "[ . 1 . 2]" 1
1193 1 61 ASP HA 1 83 LYS HD3 . . 4.770 4.450 3.681 4.858 0.088 8 0 "[ . 1 . 2]" 1
1194 1 61 ASP HB2 1 62 VAL H . . 3.740 3.552 2.634 4.028 0.288 2 0 "[ . 1 . 2]" 1
1195 1 61 ASP HB2 1 62 VAL HB . . 5.440 5.257 3.907 5.934 0.494 2 0 "[ . 1 . 2]" 1
1196 1 61 ASP HB2 1 62 VAL QG . . 3.770 3.697 2.726 4.059 0.289 8 0 "[ . 1 . 2]" 1
1197 1 61 ASP HB3 1 62 VAL H . . 3.970 3.118 2.647 3.772 . 0 0 "[ . 1 . 2]" 1
1198 1 61 ASP HB3 1 62 VAL QG . . 3.940 2.464 2.154 2.914 . 0 0 "[ . 1 . 2]" 1
1199 1 62 VAL H 1 62 VAL HB . . 3.360 2.633 2.364 2.816 . 0 0 "[ . 1 . 2]" 1
1200 1 62 VAL H 1 62 VAL QG . . 3.240 2.774 2.642 2.977 . 0 0 "[ . 1 . 2]" 1
1201 1 62 VAL H 1 63 VAL H . . 4.590 4.399 4.210 4.523 . 0 0 "[ . 1 . 2]" 1
1202 1 62 VAL HA 1 62 VAL QG . . 2.930 2.193 2.130 2.272 . 0 0 "[ . 1 . 2]" 1
1203 1 62 VAL HA 1 63 VAL H . . 2.890 2.359 2.150 2.586 . 0 0 "[ . 1 . 2]" 1
1204 1 62 VAL HA 1 63 VAL HB . . 4.650 4.578 4.391 4.723 0.073 4 0 "[ . 1 . 2]" 1
1205 1 62 VAL HA 1 84 PRO HG3 . . 3.570 3.612 3.450 3.788 0.218 7 0 "[ . 1 . 2]" 1
1206 1 62 VAL QG 1 63 VAL H . . 3.240 2.247 1.884 2.937 . 0 0 "[ . 1 . 2]" 1
1207 1 62 VAL QG 1 84 PRO HB2 . . 3.500 2.690 2.352 2.995 . 0 0 "[ . 1 . 2]" 1
1208 1 62 VAL QG 1 84 PRO HB3 . . 4.120 3.782 3.555 4.118 . 0 0 "[ . 1 . 2]" 1
1209 1 62 VAL QG 1 84 PRO HD2 . . 4.810 3.368 3.043 3.746 . 0 0 "[ . 1 . 2]" 1
1210 1 62 VAL QG 1 84 PRO HD3 . . 4.670 3.976 3.596 4.413 . 0 0 "[ . 1 . 2]" 1
1211 1 62 VAL QG 1 84 PRO HG2 . . 3.400 1.971 1.857 2.220 . 0 0 "[ . 1 . 2]" 1
1212 1 62 VAL QG 1 84 PRO HG3 . . 3.250 2.543 2.224 2.959 . 0 0 "[ . 1 . 2]" 1
1213 1 62 VAL QG 1 85 ILE H . . 5.500 4.054 3.764 4.328 . 0 0 "[ . 1 . 2]" 1
1214 1 62 VAL QG 1 85 ILE HA . . 3.470 3.401 3.051 3.569 0.099 20 0 "[ . 1 . 2]" 1
1215 1 62 VAL QG 1 85 ILE MG . . 5.070 4.517 4.273 4.724 . 0 0 "[ . 1 . 2]" 1
1216 1 63 VAL H 1 63 VAL HB . . 3.060 2.665 2.441 3.149 0.089 16 0 "[ . 1 . 2]" 1
1217 1 63 VAL H 1 63 VAL QG . . 3.610 2.551 2.120 2.867 . 0 0 "[ . 1 . 2]" 1
1218 1 63 VAL H 1 64 ALA H . . 5.040 4.494 4.359 4.690 . 0 0 "[ . 1 . 2]" 1
1219 1 63 VAL H 1 83 LYS HB2 . . 5.440 5.254 4.788 5.502 0.062 19 0 "[ . 1 . 2]" 1
1220 1 63 VAL H 1 83 LYS HB3 . . 5.070 4.071 3.573 4.330 . 0 0 "[ . 1 . 2]" 1
1221 1 63 VAL H 1 84 PRO HD3 . . 5.380 5.356 5.171 5.457 0.077 12 0 "[ . 1 . 2]" 1
1222 1 63 VAL H 1 84 PRO HG2 . . 5.070 3.245 3.117 3.415 . 0 0 "[ . 1 . 2]" 1
1223 1 63 VAL H 1 84 PRO HG3 . . 4.830 4.999 4.871 5.146 0.316 3 0 "[ . 1 . 2]" 1
1224 1 63 VAL H 1 85 ILE H . . 5.490 4.873 4.681 5.151 . 0 0 "[ . 1 . 2]" 1
1225 1 63 VAL H 1 85 ILE HA . . 3.470 3.065 2.727 3.320 . 0 0 "[ . 1 . 2]" 1
1226 1 63 VAL H 1 85 ILE HB . . 5.500 5.220 4.897 5.408 . 0 0 "[ . 1 . 2]" 1
1227 1 63 VAL H 1 85 ILE MG . . 4.220 3.999 3.740 4.256 0.036 6 0 "[ . 1 . 2]" 1
1228 1 63 VAL H 1 86 VAL H . . 5.500 4.725 4.210 5.079 . 0 0 "[ . 1 . 2]" 1
1229 1 63 VAL HA 1 63 VAL QG . . 3.130 2.180 2.124 2.501 . 0 0 "[ . 1 . 2]" 1
1230 1 63 VAL HA 1 64 ALA H . . 2.980 2.450 2.330 2.582 . 0 0 "[ . 1 . 2]" 1
1231 1 63 VAL HB 1 64 ALA H . . 4.670 3.666 3.313 3.996 . 0 0 "[ . 1 . 2]" 1
1232 1 63 VAL HB 1 85 ILE HA . . 4.440 3.216 2.820 4.530 0.090 16 0 "[ . 1 . 2]" 1
1233 1 63 VAL HB 1 85 ILE MG . . 3.680 2.669 2.194 3.805 0.125 16 0 "[ . 1 . 2]" 1
1234 1 63 VAL QG 1 64 ALA H . . 3.570 2.110 1.826 2.353 . 0 0 "[ . 1 . 2]" 1
1235 1 63 VAL QG 1 83 LYS HB3 . . 4.150 2.444 2.099 2.817 . 0 0 "[ . 1 . 2]" 1
1236 1 63 VAL QG 1 83 LYS HD2 . . 3.910 2.843 2.486 3.187 . 0 0 "[ . 1 . 2]" 1
1237 1 63 VAL QG 1 83 LYS HD3 . . 4.010 4.041 3.845 4.079 0.069 16 0 "[ . 1 . 2]" 1
1238 1 63 VAL QG 1 83 LYS QE . . 3.830 2.184 1.817 3.026 . 0 0 "[ . 1 . 2]" 1
1239 1 63 VAL QG 1 83 LYS HG2 . . 4.570 4.370 4.057 4.577 0.007 10 0 "[ . 1 . 2]" 1
1240 1 63 VAL QG 1 85 ILE HA . . 4.950 3.747 2.597 4.195 . 0 0 "[ . 1 . 2]" 1
1241 1 64 ALA H 1 64 ALA MB . . 3.210 2.494 2.366 2.632 . 0 0 "[ . 1 . 2]" 1
1242 1 64 ALA H 1 65 ILE H . . 4.800 4.392 4.324 4.463 . 0 0 "[ . 1 . 2]" 1
1243 1 64 ALA H 1 86 VAL H . . 5.060 4.553 4.267 4.764 . 0 0 "[ . 1 . 2]" 1
1244 1 64 ALA HA 1 65 ILE H . . 2.890 2.237 2.137 2.424 . 0 0 "[ . 1 . 2]" 1
1245 1 64 ALA HA 1 65 ILE HB . . 4.400 4.288 4.165 4.460 0.060 5 0 "[ . 1 . 2]" 1
1246 1 64 ALA HA 1 65 ILE HG12 . . 4.810 3.689 3.487 4.151 . 0 0 "[ . 1 . 2]" 1
1247 1 64 ALA HA 1 65 ILE HG13 . . 5.380 5.191 4.988 5.425 0.045 10 0 "[ . 1 . 2]" 1
1248 1 64 ALA HA 1 85 ILE HA . . 4.520 3.500 3.152 3.895 . 0 0 "[ . 1 . 2]" 1
1249 1 64 ALA HA 1 85 ILE HB . . 4.450 3.636 3.209 3.926 . 0 0 "[ . 1 . 2]" 1
1250 1 64 ALA HA 1 85 ILE MG . . 4.690 4.536 4.110 4.759 0.069 8 0 "[ . 1 . 2]" 1
1251 1 64 ALA HA 1 86 VAL H . . 3.330 1.994 1.720 2.365 . 0 0 "[ . 1 . 2]" 1
1252 1 64 ALA HA 1 86 VAL HB . . 5.320 4.553 4.382 4.778 . 0 0 "[ . 1 . 2]" 1
1253 1 64 ALA HA 1 86 VAL MG1 . . 5.080 4.154 3.743 4.442 . 0 0 "[ . 1 . 2]" 1
1254 1 64 ALA HA 1 86 VAL MG2 . . 3.340 2.241 2.103 2.439 . 0 0 "[ . 1 . 2]" 1
1255 1 64 ALA HA 1 87 TRP HA . . 5.280 4.794 4.461 5.034 . 0 0 "[ . 1 . 2]" 1
1256 1 64 ALA HA 1 88 HIS H . . 5.500 5.138 4.849 5.544 0.044 3 0 "[ . 1 . 2]" 1
1257 1 64 ALA HA 1 88 HIS HD2 . . 4.260 4.073 3.567 4.339 0.079 20 0 "[ . 1 . 2]" 1
1258 1 64 ALA MB 1 65 ILE H . . 3.520 2.821 2.475 3.156 . 0 0 "[ . 1 . 2]" 1
1259 1 64 ALA MB 1 86 VAL H . . 4.470 3.571 3.320 3.909 . 0 0 "[ . 1 . 2]" 1
1260 1 64 ALA MB 1 86 VAL MG2 . . 3.240 2.050 1.951 2.205 . 0 0 "[ . 1 . 2]" 1
1261 1 64 ALA MB 1 87 TRP H . . 5.500 4.997 4.082 5.344 . 0 0 "[ . 1 . 2]" 1
1262 1 64 ALA MB 1 87 TRP HA . . 5.470 4.413 3.678 4.848 . 0 0 "[ . 1 . 2]" 1
1263 1 64 ALA MB 1 88 HIS QB . . 3.550 2.512 2.214 2.873 . 0 0 "[ . 1 . 2]" 1
1264 1 64 ALA MB 1 88 HIS HD2 . . 2.940 2.364 2.019 2.841 . 0 0 "[ . 1 . 2]" 1
1265 1 65 ILE H 1 65 ILE HB . . 3.440 2.536 2.360 2.709 . 0 0 "[ . 1 . 2]" 1
1266 1 65 ILE H 1 65 ILE MD . . 4.300 4.053 3.870 4.313 0.013 6 0 "[ . 1 . 2]" 1
1267 1 65 ILE H 1 65 ILE HG12 . . 4.050 3.090 2.823 3.483 . 0 0 "[ . 1 . 2]" 1
1268 1 65 ILE H 1 65 ILE HG13 . . 4.410 4.208 3.946 4.460 0.050 6 0 "[ . 1 . 2]" 1
1269 1 65 ILE H 1 65 ILE MG . . 4.170 3.792 3.671 3.878 . 0 0 "[ . 1 . 2]" 1
1270 1 65 ILE H 1 66 ASP H . . 5.090 4.393 4.251 4.518 . 0 0 "[ . 1 . 2]" 1
1271 1 65 ILE H 1 85 ILE HA . . 5.480 4.779 4.399 5.058 . 0 0 "[ . 1 . 2]" 1
1272 1 65 ILE H 1 85 ILE HB . . 4.740 3.668 3.384 3.952 . 0 0 "[ . 1 . 2]" 1
1273 1 65 ILE H 1 85 ILE MD . . 4.470 3.596 3.401 3.805 . 0 0 "[ . 1 . 2]" 1
1274 1 65 ILE H 1 85 ILE MG . . 5.330 4.859 4.590 5.140 . 0 0 "[ . 1 . 2]" 1
1275 1 65 ILE H 1 86 VAL H . . 4.100 3.000 2.673 3.224 . 0 0 "[ . 1 . 2]" 1
1276 1 65 ILE H 1 86 VAL MG2 . . 4.100 3.425 3.250 3.586 . 0 0 "[ . 1 . 2]" 1
1277 1 65 ILE H 1 87 TRP H . . 5.500 4.805 4.467 4.948 . 0 0 "[ . 1 . 2]" 1
1278 1 65 ILE H 1 87 TRP HA . . 4.080 3.229 2.974 3.477 . 0 0 "[ . 1 . 2]" 1
1279 1 65 ILE H 1 88 HIS H . . 4.530 3.693 3.285 4.059 . 0 0 "[ . 1 . 2]" 1
1280 1 65 ILE H 1 88 HIS HD2 . . 3.970 3.035 2.472 3.465 . 0 0 "[ . 1 . 2]" 1
1281 1 65 ILE HA 1 65 ILE MD . . 3.190 2.134 1.962 2.213 . 0 0 "[ . 1 . 2]" 1
1282 1 65 ILE HA 1 65 ILE HG13 . . 4.130 3.737 3.588 3.807 . 0 0 "[ . 1 . 2]" 1
1283 1 65 ILE HA 1 65 ILE MG . . 3.400 2.547 2.427 2.748 . 0 0 "[ . 1 . 2]" 1
1284 1 65 ILE HA 1 66 ASP H . . 2.920 2.353 2.243 2.475 . 0 0 "[ . 1 . 2]" 1
1285 1 65 ILE HA 1 66 ASP QB . . 4.960 4.261 3.999 4.734 . 0 0 "[ . 1 . 2]" 1
1286 1 65 ILE HA 1 85 ILE HB . . 4.880 4.965 4.953 4.981 0.101 3 0 "[ . 1 . 2]" 1
1287 1 65 ILE HA 1 88 HIS HD2 . . 4.120 3.671 3.363 3.943 . 0 0 "[ . 1 . 2]" 1
1288 1 65 ILE HB 1 65 ILE HG13 . . 2.900 2.395 2.334 2.431 . 0 0 "[ . 1 . 2]" 1
1289 1 65 ILE HB 1 66 ASP H . . 5.010 4.049 3.805 4.364 . 0 0 "[ . 1 . 2]" 1
1290 1 65 ILE HB 1 85 ILE HB . . 4.790 3.143 2.888 3.525 . 0 0 "[ . 1 . 2]" 1
1291 1 65 ILE HB 1 85 ILE MD . . 3.460 2.311 2.148 2.395 . 0 0 "[ . 1 . 2]" 1
1292 1 65 ILE HB 1 87 TRP HA . . 4.610 3.923 3.623 4.249 . 0 0 "[ . 1 . 2]" 1
1293 1 65 ILE HB 1 87 TRP HE3 . . 4.260 3.465 2.916 3.759 . 0 0 "[ . 1 . 2]" 1
1294 1 65 ILE HB 1 87 TRP HZ3 . . 4.660 3.329 2.538 3.897 . 0 0 "[ . 1 . 2]" 1
1295 1 65 ILE MD 1 65 ILE MG . . 3.130 2.117 2.048 2.180 . 0 0 "[ . 1 . 2]" 1
1296 1 65 ILE MD 1 66 ASP H . . 3.780 3.618 3.254 3.843 0.063 17 0 "[ . 1 . 2]" 1
1297 1 65 ILE MD 1 85 ILE MD . . 4.480 4.128 3.739 4.350 . 0 0 "[ . 1 . 2]" 1
1298 1 65 ILE MG 1 66 ASP H . . 3.520 2.389 2.094 2.742 . 0 0 "[ . 1 . 2]" 1
1299 1 65 ILE MG 1 66 ASP QB . . 5.280 3.738 3.085 4.285 . 0 0 "[ . 1 . 2]" 1
1300 1 65 ILE MG 1 69 HIS H . . 4.420 3.605 3.323 4.181 . 0 0 "[ . 1 . 2]" 1
1301 1 65 ILE MG 1 69 HIS HB2 . . 3.650 2.346 2.174 2.710 . 0 0 "[ . 1 . 2]" 1
1302 1 65 ILE MG 1 69 HIS HB3 . . 3.920 3.155 2.634 3.522 . 0 0 "[ . 1 . 2]" 1
1303 1 65 ILE MG 1 85 ILE MD . . 4.100 3.149 2.814 3.380 . 0 0 "[ . 1 . 2]" 1
1304 1 65 ILE MG 1 87 TRP HE3 . . 3.710 3.105 2.534 3.451 . 0 0 "[ . 1 . 2]" 1
1305 1 65 ILE MG 1 87 TRP HH2 . . 4.070 3.876 3.325 4.125 0.055 19 0 "[ . 1 . 2]" 1
1306 1 65 ILE MG 1 87 TRP HZ3 . . 3.540 2.241 2.063 2.509 . 0 0 "[ . 1 . 2]" 1
1307 1 66 ASP H 1 66 ASP QB . . 3.310 2.369 2.081 2.905 . 0 0 "[ . 1 . 2]" 1
1308 1 66 ASP H 1 87 TRP HA . . 5.420 5.391 5.213 5.495 0.075 6 0 "[ . 1 . 2]" 1
1309 1 66 ASP H 1 88 HIS HD2 . . 4.250 4.109 3.723 4.334 0.084 20 0 "[ . 1 . 2]" 1
1310 1 66 ASP HA 1 67 TYR H . . 2.810 2.139 2.029 2.214 . 0 0 "[ . 1 . 2]" 1
1311 1 66 ASP HA 1 67 TYR HB3 . . 5.370 4.264 4.090 4.518 . 0 0 "[ . 1 . 2]" 1
1312 1 66 ASP HA 1 68 ARG QG . . 5.080 4.589 4.286 4.987 . 0 0 "[ . 1 . 2]" 1
1313 1 66 ASP HA 1 87 TRP HA . . 5.220 4.411 4.122 4.673 . 0 0 "[ . 1 . 2]" 1
1314 1 66 ASP HA 1 88 HIS H . . 3.860 3.125 2.590 3.717 . 0 0 "[ . 1 . 2]" 1
1315 1 66 ASP HA 1 88 HIS HD2 . . 4.070 3.358 2.642 3.800 . 0 0 "[ . 1 . 2]" 1
1316 1 66 ASP QB 1 67 TYR H . . 5.200 3.336 2.724 3.823 . 0 0 "[ . 1 . 2]" 1
1317 1 66 ASP QB 1 68 ARG QG . . 4.580 2.661 2.078 3.297 . 0 0 "[ . 1 . 2]" 1
1318 1 66 ASP QB 1 88 HIS HE1 . . 5.440 4.464 2.905 5.336 . 0 0 "[ . 1 . 2]" 1
1319 1 67 TYR H 1 67 TYR HB2 . . 3.510 2.612 2.384 2.793 . 0 0 "[ . 1 . 2]" 1
1320 1 67 TYR H 1 67 TYR HB3 . . 3.440 2.207 2.031 2.408 . 0 0 "[ . 1 . 2]" 1
1321 1 67 TYR H 1 67 TYR QD . . 4.720 4.036 3.849 4.184 . 0 0 "[ . 1 . 2]" 1
1322 1 67 TYR H 1 68 ARG H . . 3.870 2.998 2.849 3.132 . 0 0 "[ . 1 . 2]" 1
1323 1 67 TYR H 1 68 ARG QB . . 5.280 5.026 4.788 5.128 . 0 0 "[ . 1 . 2]" 1
1324 1 67 TYR H 1 87 TRP HA . . 5.500 4.337 3.808 4.865 . 0 0 "[ . 1 . 2]" 1
1325 1 67 TYR H 1 87 TRP HE3 . . 4.990 4.019 3.438 4.408 . 0 0 "[ . 1 . 2]" 1
1326 1 67 TYR H 1 88 HIS H . . 3.790 3.407 2.940 3.875 0.085 20 0 "[ . 1 . 2]" 1
1327 1 67 TYR H 1 89 ILE MD . . 5.050 4.801 4.361 5.156 0.106 3 0 "[ . 1 . 2]" 1
1328 1 67 TYR H 1 89 ILE QG . . 4.820 3.530 3.124 4.545 . 0 0 "[ . 1 . 2]" 1
1329 1 67 TYR H 1 97 THR MG . . 5.310 4.525 4.161 4.908 . 0 0 "[ . 1 . 2]" 1
1330 1 67 TYR HA 1 67 TYR QD . . 3.470 3.161 2.836 3.428 . 0 0 "[ . 1 . 2]" 1
1331 1 67 TYR HA 1 69 HIS H . . 4.250 3.618 3.347 4.170 . 0 0 "[ . 1 . 2]" 1
1332 1 67 TYR HA 1 70 TYR H . . 4.110 3.297 2.872 3.500 . 0 0 "[ . 1 . 2]" 1
1333 1 67 TYR HA 1 70 TYR HB2 . . 5.220 2.881 2.430 3.338 . 0 0 "[ . 1 . 2]" 1
1334 1 67 TYR HA 1 70 TYR HB3 . . 4.220 3.599 3.034 3.987 . 0 0 "[ . 1 . 2]" 1
1335 1 67 TYR HA 1 87 TRP HB2 . . 4.890 4.553 4.127 4.952 0.062 20 0 "[ . 1 . 2]" 1
1336 1 67 TYR HA 1 87 TRP HB3 . . 5.170 2.860 2.382 3.305 . 0 0 "[ . 1 . 2]" 1
1337 1 67 TYR HA 1 87 TRP HE3 . . 3.380 2.609 2.240 2.939 . 0 0 "[ . 1 . 2]" 1
1338 1 67 TYR HA 1 87 TRP HZ3 . . 4.170 4.123 3.472 4.245 0.075 10 0 "[ . 1 . 2]" 1
1339 1 67 TYR HA 1 88 HIS H . . 5.500 4.449 3.938 5.077 . 0 0 "[ . 1 . 2]" 1
1340 1 67 TYR HB2 1 68 ARG H . . 4.580 4.390 4.223 4.629 0.049 20 0 "[ . 1 . 2]" 1
1341 1 67 TYR HB2 1 89 ILE HB . . 5.400 4.864 3.312 5.479 0.079 20 0 "[ . 1 . 2]" 1
1342 1 67 TYR HB2 1 89 ILE MD . . 3.850 3.105 2.639 4.195 0.345 3 0 "[ . 1 . 2]" 1
1343 1 67 TYR HB2 1 89 ILE QG . . 4.140 2.618 2.195 4.539 0.399 3 0 "[ . 1 . 2]" 1
1344 1 67 TYR HB2 1 97 THR MG . . 3.940 2.697 2.536 2.869 . 0 0 "[ . 1 . 2]" 1
1345 1 67 TYR HB3 1 68 ARG H . . 5.160 3.293 3.006 3.723 . 0 0 "[ . 1 . 2]" 1
1346 1 67 TYR HB3 1 87 TRP HB3 . . 4.770 4.458 3.857 4.976 0.206 12 0 "[ . 1 . 2]" 1
1347 1 67 TYR HB3 1 89 ILE MD . . 4.130 3.303 2.777 3.917 . 0 0 "[ . 1 . 2]" 1
1348 1 67 TYR HB3 1 89 ILE QG . . 4.480 2.406 2.098 3.590 . 0 0 "[ . 1 . 2]" 1
1349 1 67 TYR HB3 1 97 THR MG . . 3.720 3.885 3.615 4.044 0.324 13 0 "[ . 1 . 2]" 1
1350 1 67 TYR QD 1 68 ARG H . . 5.500 3.450 3.034 4.002 . 0 0 "[ . 1 . 2]" 1
1351 1 67 TYR QD 1 68 ARG HA . . 5.290 3.438 3.048 3.853 . 0 0 "[ . 1 . 2]" 1
1352 1 67 TYR QD 1 68 ARG QB . . 5.110 4.352 3.658 4.838 . 0 0 "[ . 1 . 2]" 1
1353 1 67 TYR QD 1 70 TYR H . . 5.190 4.583 4.355 4.840 . 0 0 "[ . 1 . 2]" 1
1354 1 67 TYR QD 1 70 TYR HB2 . . 4.030 3.602 3.247 4.008 . 0 0 "[ . 1 . 2]" 1
1355 1 67 TYR QD 1 70 TYR HB3 . . 4.280 3.528 3.045 3.840 . 0 0 "[ . 1 . 2]" 1
1356 1 67 TYR QD 1 87 TRP HB2 . . 4.400 4.243 3.613 4.508 0.108 15 0 "[ . 1 . 2]" 1
1357 1 67 TYR QD 1 87 TRP HB3 . . 3.980 3.372 2.693 3.998 0.018 13 0 "[ . 1 . 2]" 1
1358 1 67 TYR QD 1 89 ILE MD . . 3.960 3.070 2.633 3.929 . 0 0 "[ . 1 . 2]" 1
1359 1 67 TYR QD 1 89 ILE QG . . 5.380 3.392 3.034 4.613 . 0 0 "[ . 1 . 2]" 1
1360 1 67 TYR QD 1 97 THR MG . . 3.730 2.334 2.021 2.756 . 0 0 "[ . 1 . 2]" 1
1361 1 68 ARG H 1 68 ARG QB . . 3.300 2.392 2.196 2.512 . 0 0 "[ . 1 . 2]" 1
1362 1 68 ARG H 1 68 ARG HD2 . . 4.730 4.592 4.224 4.793 0.063 16 0 "[ . 1 . 2]" 1
1363 1 68 ARG H 1 68 ARG HD3 . . 4.570 4.163 3.375 4.770 0.200 1 0 "[ . 1 . 2]" 1
1364 1 68 ARG H 1 68 ARG QG . . 3.630 2.192 1.866 2.711 . 0 0 "[ . 1 . 2]" 1
1365 1 68 ARG H 1 69 HIS H . . 3.420 2.776 2.521 3.038 . 0 0 "[ . 1 . 2]" 1
1366 1 68 ARG H 1 70 TYR H . . 5.000 4.270 3.981 4.498 . 0 0 "[ . 1 . 2]" 1
1367 1 68 ARG HA 1 68 ARG HD2 . . 4.940 4.533 3.518 4.893 . 0 0 "[ . 1 . 2]" 1
1368 1 68 ARG HA 1 68 ARG HD3 . . 4.920 4.242 2.172 5.001 0.081 20 0 "[ . 1 . 2]" 1
1369 1 68 ARG HA 1 70 TYR H . . 4.200 3.833 3.642 4.107 . 0 0 "[ . 1 . 2]" 1
1370 1 68 ARG QB 1 68 ARG HD2 . . 3.490 2.472 2.226 3.039 . 0 0 "[ . 1 . 2]" 1
1371 1 68 ARG QB 1 68 ARG HD3 . . 3.660 2.451 2.184 2.646 . 0 0 "[ . 1 . 2]" 1
1372 1 68 ARG QB 1 69 HIS H . . 4.220 3.300 2.225 3.773 . 0 0 "[ . 1 . 2]" 1
1373 1 68 ARG QG 1 69 HIS H . . 4.170 3.043 2.241 3.867 . 0 0 "[ . 1 . 2]" 1
1374 1 69 HIS H 1 69 HIS HB2 . . 3.430 2.316 2.118 2.620 . 0 0 "[ . 1 . 2]" 1
1375 1 69 HIS H 1 69 HIS HB3 . . 3.810 3.559 3.389 3.757 . 0 0 "[ . 1 . 2]" 1
1376 1 69 HIS H 1 70 TYR H . . 3.290 2.598 2.278 2.972 . 0 0 "[ . 1 . 2]" 1
1377 1 69 HIS H 1 70 TYR HA . . 5.460 4.948 4.494 5.321 . 0 0 "[ . 1 . 2]" 1
1378 1 69 HIS H 1 70 TYR HB2 . . 5.000 4.622 4.127 5.021 0.021 19 0 "[ . 1 . 2]" 1
1379 1 69 HIS H 1 87 TRP HZ3 . . 4.470 3.432 3.028 3.865 . 0 0 "[ . 1 . 2]" 1
1380 1 69 HIS HB2 1 70 TYR H . . 4.750 3.818 3.172 4.109 . 0 0 "[ . 1 . 2]" 1
1381 1 69 HIS HB2 1 87 TRP HH2 . . 5.130 3.826 3.407 4.530 . 0 0 "[ . 1 . 2]" 1
1382 1 69 HIS HB2 1 87 TRP HZ3 . . 3.930 2.225 2.080 2.741 . 0 0 "[ . 1 . 2]" 1
1383 1 69 HIS HB3 1 70 TYR H . . 5.130 4.164 3.664 4.455 . 0 0 "[ . 1 . 2]" 1
1384 1 69 HIS HB3 1 87 TRP HZ3 . . 4.030 2.721 2.202 3.225 . 0 0 "[ . 1 . 2]" 1
1385 1 70 TYR H 1 70 TYR HB2 . . 3.250 2.625 2.483 2.752 . 0 0 "[ . 1 . 2]" 1
1386 1 70 TYR H 1 70 TYR HB3 . . 3.270 2.434 2.336 2.549 . 0 0 "[ . 1 . 2]" 1
1387 1 70 TYR H 1 70 TYR QD . . 4.240 4.236 4.161 4.309 0.069 20 0 "[ . 1 . 2]" 1
1388 1 70 TYR H 1 71 SER H . . 4.630 3.913 3.652 4.118 . 0 0 "[ . 1 . 2]" 1
1389 1 70 TYR H 1 87 TRP HE3 . . 4.420 4.278 3.910 4.482 0.062 17 0 "[ . 1 . 2]" 1
1390 1 70 TYR H 1 87 TRP HH2 . . 5.000 4.532 4.147 4.802 . 0 0 "[ . 1 . 2]" 1
1391 1 70 TYR H 1 87 TRP HZ3 . . 4.940 3.812 3.476 4.301 . 0 0 "[ . 1 . 2]" 1
1392 1 70 TYR HA 1 70 TYR QD . . 3.710 2.270 2.127 2.461 . 0 0 "[ . 1 . 2]" 1
1393 1 70 TYR HA 1 70 TYR QE . . 4.820 4.572 4.463 4.728 . 0 0 "[ . 1 . 2]" 1
1394 1 70 TYR HA 1 71 SER H . . 3.070 2.334 2.067 2.487 . 0 0 "[ . 1 . 2]" 1
1395 1 70 TYR HA 1 71 SER HA . . 5.130 4.481 4.379 4.576 . 0 0 "[ . 1 . 2]" 1
1396 1 70 TYR HA 1 74 PHE HB2 . . 5.030 3.537 2.931 3.994 . 0 0 "[ . 1 . 2]" 1
1397 1 70 TYR HA 1 74 PHE QD . . 3.700 2.770 2.336 3.323 . 0 0 "[ . 1 . 2]" 1
1398 1 70 TYR HA 1 74 PHE QE . . 5.180 4.288 3.929 4.932 . 0 0 "[ . 1 . 2]" 1
1399 1 70 TYR HA 1 87 TRP HH2 . . 3.630 3.045 2.721 3.479 . 0 0 "[ . 1 . 2]" 1
1400 1 70 TYR HA 1 87 TRP HZ2 . . 4.330 3.102 2.789 3.283 . 0 0 "[ . 1 . 2]" 1
1401 1 70 TYR HB2 1 71 SER H . . 4.670 4.580 4.392 4.643 . 0 0 "[ . 1 . 2]" 1
1402 1 70 TYR HB2 1 87 TRP HE3 . . 5.490 3.573 3.189 4.136 . 0 0 "[ . 1 . 2]" 1
1403 1 70 TYR HB3 1 71 SER H . . 4.470 4.487 4.382 4.526 0.056 3 0 "[ . 1 . 2]" 1
1404 1 70 TYR QD 1 71 SER H . . 3.860 3.306 2.605 3.627 . 0 0 "[ . 1 . 2]" 1
1405 1 70 TYR QD 1 71 SER HA . . 4.260 4.350 4.325 4.365 0.105 5 0 "[ . 1 . 2]" 1
1406 1 70 TYR QD 1 74 PHE HB2 . . 4.630 2.730 2.217 3.321 . 0 0 "[ . 1 . 2]" 1
1407 1 70 TYR QD 1 74 PHE HB3 . . 4.930 4.250 3.450 4.826 . 0 0 "[ . 1 . 2]" 1
1408 1 70 TYR QD 1 74 PHE QD . . 4.640 3.179 2.681 3.705 . 0 0 "[ . 1 . 2]" 1
1409 1 70 TYR QD 1 75 LYS HA . . 5.140 4.684 4.224 5.036 . 0 0 "[ . 1 . 2]" 1
1410 1 70 TYR QD 1 87 TRP HE1 . . 4.300 3.811 3.310 4.168 . 0 0 "[ . 1 . 2]" 1
1411 1 70 TYR QD 1 87 TRP HH2 . . 4.730 4.629 4.225 4.816 0.086 11 0 "[ . 1 . 2]" 1
1412 1 70 TYR QD 1 87 TRP HZ2 . . 3.690 3.420 3.092 3.723 0.033 15 0 "[ . 1 . 2]" 1
1413 1 70 TYR QD 1 100 PRO HB2 . . 5.240 4.802 4.466 5.101 . 0 0 "[ . 1 . 2]" 1
1414 1 70 TYR QD 1 100 PRO HB3 . . 4.770 4.585 4.069 4.835 0.065 15 0 "[ . 1 . 2]" 1
1415 1 70 TYR QE 1 72 ALA HA . . 4.420 3.663 2.148 4.396 . 0 0 "[ . 1 . 2]" 1
1416 1 70 TYR QE 1 72 ALA MB . . 5.300 4.941 3.773 5.405 0.105 13 0 "[ . 1 . 2]" 1
1417 1 70 TYR QE 1 74 PHE H . . 5.500 4.403 3.016 5.550 0.050 5 0 "[ . 1 . 2]" 1
1418 1 70 TYR QE 1 74 PHE HB2 . . 4.260 3.674 3.079 4.323 0.063 5 0 "[ . 1 . 2]" 1
1419 1 70 TYR QE 1 75 LYS H . . 5.500 4.281 2.880 5.531 0.031 5 0 "[ . 1 . 2]" 1
1420 1 70 TYR QE 1 75 LYS HA . . 3.390 2.705 2.273 3.397 0.007 5 0 "[ . 1 . 2]" 1
1421 1 70 TYR QE 1 75 LYS HB2 . . 4.930 4.031 3.062 4.856 . 0 0 "[ . 1 . 2]" 1
1422 1 70 TYR QE 1 87 TRP HE1 . . 4.200 4.102 3.720 4.272 0.072 12 0 "[ . 1 . 2]" 1
1423 1 70 TYR QE 1 87 TRP HZ2 . . 4.880 4.842 4.509 4.961 0.081 15 0 "[ . 1 . 2]" 1
1424 1 70 TYR QE 1 100 PRO HB2 . . 5.170 4.151 3.759 4.385 . 0 0 "[ . 1 . 2]" 1
1425 1 70 TYR QE 1 100 PRO HB3 . . 3.640 3.259 2.629 3.585 . 0 0 "[ . 1 . 2]" 1
1426 1 70 TYR QE 1 100 PRO HG2 . . 5.200 4.281 3.862 5.090 . 0 0 "[ . 1 . 2]" 1
1427 1 70 TYR QE 1 100 PRO HG3 . . 3.770 2.682 2.262 3.630 . 0 0 "[ . 1 . 2]" 1
1428 1 71 SER H 1 71 SER HB2 . . 4.140 2.415 1.989 2.760 . 0 0 "[ . 1 . 2]" 1
1429 1 71 SER H 1 74 PHE H . . 4.370 4.187 3.683 4.437 0.067 2 0 "[ . 1 . 2]" 1
1430 1 71 SER H 1 74 PHE HB2 . . 4.570 3.874 3.214 4.239 . 0 0 "[ . 1 . 2]" 1
1431 1 71 SER H 1 74 PHE HB3 . . 5.500 5.240 4.630 5.564 0.064 4 0 "[ . 1 . 2]" 1
1432 1 71 SER H 1 74 PHE QD . . 3.430 1.964 1.693 2.220 . 0 0 "[ . 1 . 2]" 1
1433 1 71 SER H 1 74 PHE QE . . 4.610 2.730 2.395 3.245 . 0 0 "[ . 1 . 2]" 1
1434 1 71 SER H 1 87 TRP HH2 . . 4.650 3.899 3.235 4.673 0.023 11 0 "[ . 1 . 2]" 1
1435 1 71 SER H 1 87 TRP HZ2 . . 4.780 4.433 4.005 4.848 0.068 17 0 "[ . 1 . 2]" 1
1436 1 71 SER HA 1 72 ALA MB . . 4.640 4.030 3.830 4.198 . 0 0 "[ . 1 . 2]" 1
1437 1 71 SER HA 1 74 PHE QD . . 5.500 4.318 3.973 4.716 . 0 0 "[ . 1 . 2]" 1
1438 1 71 SER HB2 1 72 ALA H . . 5.390 3.968 3.472 4.486 . 0 0 "[ . 1 . 2]" 1
1439 1 71 SER HB2 1 74 PHE H . . 4.980 4.558 3.232 5.061 0.081 3 0 "[ . 1 . 2]" 1
1440 1 71 SER HB2 1 74 PHE QD . . 4.710 3.352 2.528 4.160 . 0 0 "[ . 1 . 2]" 1
1441 1 71 SER HB2 1 74 PHE QE . . 4.630 2.783 2.161 4.044 . 0 0 "[ . 1 . 2]" 1
1442 1 71 SER HB3 1 72 ALA H . . 4.410 3.348 2.624 4.472 0.062 11 0 "[ . 1 . 2]" 1
1443 1 71 SER HB3 1 72 ALA MB . . 4.880 4.509 3.988 4.974 0.094 5 0 "[ . 1 . 2]" 1
1444 1 71 SER HB3 1 73 SER HB2 . . 4.140 3.639 2.607 4.271 0.131 12 0 "[ . 1 . 2]" 1
1445 1 71 SER HB3 1 74 PHE QD . . 5.310 3.554 2.465 4.580 . 0 0 "[ . 1 . 2]" 1
1446 1 71 SER HB3 1 74 PHE QE . . 4.990 3.326 2.397 4.532 . 0 0 "[ . 1 . 2]" 1
1447 1 72 ALA HA 1 74 PHE H . . 3.690 3.630 3.400 3.759 0.069 8 0 "[ . 1 . 2]" 1
1448 1 72 ALA HA 1 75 LYS H . . 3.940 3.778 3.364 4.010 0.070 13 0 "[ . 1 . 2]" 1
1449 1 72 ALA HA 1 75 LYS HA . . 4.350 4.068 3.525 4.413 0.063 13 0 "[ . 1 . 2]" 1
1450 1 72 ALA HA 1 75 LYS HB2 . . 3.900 3.462 2.942 3.970 0.070 7 0 "[ . 1 . 2]" 1
1451 1 72 ALA HA 1 75 LYS HB3 . . 3.750 3.592 2.872 3.827 0.077 18 0 "[ . 1 . 2]" 1
1452 1 72 ALA MB 1 73 SER HA . . 4.900 4.208 3.968 4.434 . 0 0 "[ . 1 . 2]" 1
1453 1 72 ALA MB 1 74 PHE H . . 5.360 4.502 4.344 4.660 . 0 0 "[ . 1 . 2]" 1
1454 1 72 ALA MB 1 75 LYS H . . 5.370 4.598 4.135 4.832 . 0 0 "[ . 1 . 2]" 1
1455 1 73 SER HA 1 74 PHE HA . . 5.200 4.747 4.689 4.809 . 0 0 "[ . 1 . 2]" 1
1456 1 73 SER HA 1 75 LYS H . . 4.280 3.962 3.681 4.235 . 0 0 "[ . 1 . 2]" 1
1457 1 73 SER HB2 1 74 PHE H . . 4.450 2.821 2.540 3.186 . 0 0 "[ . 1 . 2]" 1
1458 1 73 SER HB2 1 74 PHE HB3 . . 5.060 5.139 4.775 5.669 0.609 9 2 "[ . -+1 . 2]" 1
1459 1 73 SER HB3 1 74 PHE H . . 4.580 3.942 2.820 4.234 . 0 0 "[ . 1 . 2]" 1
1460 1 73 SER HB3 1 74 PHE HA . . 5.400 4.787 3.633 5.214 . 0 0 "[ . 1 . 2]" 1
1461 1 73 SER HB3 1 74 PHE QD . . 5.400 4.451 3.349 4.906 . 0 0 "[ . 1 . 2]" 1
1462 1 73 SER HB3 1 74 PHE QE . . 5.120 4.531 3.636 5.058 . 0 0 "[ . 1 . 2]" 1
1463 1 74 PHE H 1 75 LYS H . . 3.240 2.962 2.753 3.143 . 0 0 "[ . 1 . 2]" 1
1464 1 74 PHE H 1 75 LYS HA . . 4.630 4.632 4.422 4.709 0.079 20 0 "[ . 1 . 2]" 1
1465 1 74 PHE H 1 75 LYS HB3 . . 4.710 4.512 4.252 4.751 0.041 1 0 "[ . 1 . 2]" 1
1466 1 74 PHE HA 1 74 PHE QD . . 3.260 2.635 2.203 3.156 . 0 0 "[ . 1 . 2]" 1
1467 1 74 PHE HA 1 75 LYS H . . 3.610 3.112 2.958 3.352 . 0 0 "[ . 1 . 2]" 1
1468 1 74 PHE HA 1 76 LYS H . . 4.580 3.720 3.281 4.113 . 0 0 "[ . 1 . 2]" 1
1469 1 74 PHE HA 1 77 GLY H . . 4.370 3.599 3.302 3.912 . 0 0 "[ . 1 . 2]" 1
1470 1 74 PHE HA 1 78 ALA MB . . 4.570 3.151 2.895 3.651 . 0 0 "[ . 1 . 2]" 1
1471 1 74 PHE HA 1 87 TRP HZ2 . . 4.640 4.655 4.543 4.711 0.071 12 0 "[ . 1 . 2]" 1
1472 1 74 PHE HB2 1 77 GLY H . . 5.010 4.768 4.431 5.096 0.086 16 0 "[ . 1 . 2]" 1
1473 1 74 PHE HB2 1 78 ALA MB . . 3.930 3.585 3.503 3.711 . 0 0 "[ . 1 . 2]" 1
1474 1 74 PHE HB2 1 87 TRP HE1 . . 3.870 3.970 3.909 4.262 0.392 16 0 "[ . 1 . 2]" 1
1475 1 74 PHE HB2 1 87 TRP HH2 . . 4.840 4.046 3.769 4.464 . 0 0 "[ . 1 . 2]" 1
1476 1 74 PHE HB2 1 87 TRP HZ2 . . 3.520 2.367 2.136 2.868 . 0 0 "[ . 1 . 2]" 1
1477 1 74 PHE HB3 1 78 ALA MB . . 3.470 2.108 2.036 2.188 . 0 0 "[ . 1 . 2]" 1
1478 1 74 PHE HB3 1 85 ILE MD . . 5.500 4.305 3.952 4.564 . 0 0 "[ . 1 . 2]" 1
1479 1 74 PHE HB3 1 87 TRP HE1 . . 5.030 3.964 3.475 4.323 . 0 0 "[ . 1 . 2]" 1
1480 1 74 PHE HB3 1 87 TRP HH2 . . 4.610 4.171 3.890 4.552 . 0 0 "[ . 1 . 2]" 1
1481 1 74 PHE HB3 1 87 TRP HZ2 . . 3.390 2.354 2.130 2.464 . 0 0 "[ . 1 . 2]" 1
1482 1 74 PHE QD 1 87 TRP HE1 . . 5.500 5.280 5.036 5.593 0.093 20 0 "[ . 1 . 2]" 1
1483 1 74 PHE QD 1 87 TRP HH2 . . 3.760 3.164 2.626 3.834 0.074 16 0 "[ . 1 . 2]" 1
1484 1 74 PHE QE 1 78 ALA MB . . 3.840 3.405 3.259 3.704 . 0 0 "[ . 1 . 2]" 1
1485 1 75 LYS H 1 75 LYS HB2 . . 3.250 3.117 2.846 3.343 0.093 7 0 "[ . 1 . 2]" 1
1486 1 75 LYS H 1 75 LYS HB3 . . 3.260 1.979 1.832 2.118 . 0 0 "[ . 1 . 2]" 1
1487 1 75 LYS H 1 75 LYS HD3 . . 5.280 5.218 4.196 5.810 0.530 5 1 "[ + 1 . 2]" 1
1488 1 75 LYS H 1 75 LYS QE . . 5.180 5.072 4.396 5.280 0.100 14 0 "[ . 1 . 2]" 1
1489 1 75 LYS H 1 75 LYS QG . . 3.750 3.335 2.791 3.556 . 0 0 "[ . 1 . 2]" 1
1490 1 75 LYS H 1 76 LYS H . . 3.040 2.773 2.675 2.875 . 0 0 "[ . 1 . 2]" 1
1491 1 75 LYS H 1 76 LYS HB2 . . 4.990 5.040 4.889 5.068 0.078 1 0 "[ . 1 . 2]" 1
1492 1 75 LYS H 1 76 LYS HG3 . . 5.500 4.688 4.421 5.047 . 0 0 "[ . 1 . 2]" 1
1493 1 75 LYS HA 1 75 LYS HB2 . . 3.020 2.229 2.104 2.296 . 0 0 "[ . 1 . 2]" 1
1494 1 75 LYS HA 1 75 LYS HD2 . . 5.110 3.854 2.661 4.767 . 0 0 "[ . 1 . 2]" 1
1495 1 75 LYS HA 1 75 LYS HD3 . . 5.180 4.525 2.911 5.278 0.098 7 0 "[ . 1 . 2]" 1
1496 1 75 LYS HA 1 77 GLY H . . 4.730 3.913 3.665 4.202 . 0 0 "[ . 1 . 2]" 1
1497 1 75 LYS HB2 1 75 LYS HD2 . . 3.840 2.680 2.331 3.864 0.024 1 0 "[ . 1 . 2]" 1
1498 1 75 LYS HB2 1 76 LYS H . . 4.390 4.344 4.208 4.468 0.078 19 0 "[ . 1 . 2]" 1
1499 1 75 LYS HB2 1 76 LYS HG3 . . 5.000 5.012 4.789 5.076 0.076 6 0 "[ . 1 . 2]" 1
1500 1 75 LYS HB3 1 76 LYS H . . 3.920 3.488 3.111 3.949 0.029 7 0 "[ . 1 . 2]" 1
1501 1 75 LYS HB3 1 76 LYS HG2 . . 5.320 5.215 4.812 5.396 0.076 11 0 "[ . 1 . 2]" 1
1502 1 75 LYS HB3 1 76 LYS HG3 . . 4.700 4.239 3.668 4.734 0.034 11 0 "[ . 1 . 2]" 1
1503 1 75 LYS HD2 1 76 LYS QE . . 4.940 4.793 3.443 5.060 0.120 18 0 "[ . 1 . 2]" 1
1504 1 75 LYS HD2 1 76 LYS HG2 . . 5.430 4.604 2.449 5.523 0.093 15 0 "[ . 1 . 2]" 1
1505 1 75 LYS HD3 1 76 LYS QE . . 4.960 4.240 2.918 4.910 . 0 0 "[ . 1 . 2]" 1
1506 1 75 LYS HD3 1 76 LYS HG2 . . 5.500 4.493 3.680 5.072 . 0 0 "[ . 1 . 2]" 1
1507 1 75 LYS HD3 1 76 LYS HG3 . . 5.270 4.356 3.437 5.076 . 0 0 "[ . 1 . 2]" 1
1508 1 75 LYS QE 1 75 LYS QG . . 3.340 2.203 1.965 2.623 . 0 0 "[ . 1 . 2]" 1
1509 1 75 LYS QE 1 76 LYS HG2 . . 4.660 2.990 1.944 4.748 0.088 1 0 "[ . 1 . 2]" 1
1510 1 75 LYS QE 1 103 TRP HE1 . . 4.890 4.162 3.326 4.998 0.108 19 0 "[ . 1 . 2]" 1
1511 1 75 LYS QE 1 103 TRP HZ2 . . 4.680 3.461 2.262 4.765 0.085 10 0 "[ . 1 . 2]" 1
1512 1 75 LYS QG 1 76 LYS H . . 4.320 2.857 2.511 3.252 . 0 0 "[ . 1 . 2]" 1
1513 1 75 LYS QG 1 76 LYS HA . . 4.820 3.561 3.252 3.937 . 0 0 "[ . 1 . 2]" 1
1514 1 75 LYS QG 1 76 LYS HB2 . . 3.970 3.865 3.661 3.961 . 0 0 "[ . 1 . 2]" 1
1515 1 75 LYS QG 1 76 LYS QE . . 5.130 3.171 2.772 3.521 . 0 0 "[ . 1 . 2]" 1
1516 1 75 LYS QG 1 76 LYS HG2 . . 3.690 2.699 2.354 3.015 . 0 0 "[ . 1 . 2]" 1
1517 1 75 LYS QG 1 76 LYS HG3 . . 4.080 2.119 2.028 2.204 . 0 0 "[ . 1 . 2]" 1
1518 1 76 LYS H 1 76 LYS HB2 . . 4.010 2.482 2.388 2.598 . 0 0 "[ . 1 . 2]" 1
1519 1 76 LYS H 1 76 LYS HB3 . . 3.830 3.681 3.626 3.765 . 0 0 "[ . 1 . 2]" 1
1520 1 76 LYS H 1 76 LYS HD2 . . 5.310 4.659 4.423 4.962 . 0 0 "[ . 1 . 2]" 1
1521 1 76 LYS H 1 76 LYS HD3 . . 5.420 5.213 5.046 5.374 . 0 0 "[ . 1 . 2]" 1
1522 1 76 LYS H 1 76 LYS HG2 . . 4.400 3.617 3.391 3.913 . 0 0 "[ . 1 . 2]" 1
1523 1 76 LYS H 1 76 LYS HG3 . . 3.940 2.825 2.554 3.161 . 0 0 "[ . 1 . 2]" 1
1524 1 76 LYS H 1 77 GLY H . . 3.060 2.508 2.292 2.812 . 0 0 "[ . 1 . 2]" 1
1525 1 76 LYS HA 1 76 LYS HD2 . . 4.420 4.531 4.470 4.553 0.133 10 0 "[ . 1 . 2]" 1
1526 1 76 LYS HA 1 76 LYS HD3 . . 4.470 3.998 3.839 4.155 . 0 0 "[ . 1 . 2]" 1
1527 1 76 LYS HA 1 76 LYS QE . . 4.410 4.458 4.261 4.507 0.097 20 0 "[ . 1 . 2]" 1
1528 1 76 LYS HA 1 76 LYS HG2 . . 3.460 2.329 2.210 2.384 . 0 0 "[ . 1 . 2]" 1
1529 1 76 LYS HA 1 76 LYS HG3 . . 3.850 3.235 3.135 3.332 . 0 0 "[ . 1 . 2]" 1
1530 1 76 LYS HA 1 77 GLY H . . 3.240 3.224 3.091 3.313 0.073 6 0 "[ . 1 . 2]" 1
1531 1 76 LYS HA 1 103 TRP HB3 . . 4.770 3.748 3.385 4.068 . 0 0 "[ . 1 . 2]" 1
1532 1 76 LYS HA 1 103 TRP HH2 . . 4.750 4.249 3.869 4.616 . 0 0 "[ . 1 . 2]" 1
1533 1 76 LYS HA 1 103 TRP HZ2 . . 4.100 3.866 3.493 4.171 0.071 4 0 "[ . 1 . 2]" 1
1534 1 76 LYS HB2 1 76 LYS HD2 . . 3.960 2.673 2.506 2.830 . 0 0 "[ . 1 . 2]" 1
1535 1 76 LYS HB2 1 76 LYS HD3 . . 3.960 3.352 3.134 3.533 . 0 0 "[ . 1 . 2]" 1
1536 1 76 LYS HB2 1 77 GLY H . . 5.380 3.908 3.634 4.071 . 0 0 "[ . 1 . 2]" 1
1537 1 76 LYS HB2 1 103 TRP HE3 . . 5.250 4.994 4.706 5.287 0.037 13 0 "[ . 1 . 2]" 1
1538 1 76 LYS HB2 1 103 TRP HH2 . . 5.080 5.127 4.916 5.163 0.083 9 0 "[ . 1 . 2]" 1
1539 1 76 LYS HB3 1 76 LYS HD3 . . 3.940 2.460 2.245 2.695 . 0 0 "[ . 1 . 2]" 1
1540 1 76 LYS HB3 1 77 GLY H . . 4.780 4.441 4.262 4.520 . 0 0 "[ . 1 . 2]" 1
1541 1 76 LYS HB3 1 103 TRP HZ2 . . 5.500 4.797 4.572 5.175 . 0 0 "[ . 1 . 2]" 1
1542 1 76 LYS HD3 1 103 TRP HH2 . . 4.110 2.418 2.277 2.536 . 0 0 "[ . 1 . 2]" 1
1543 1 76 LYS HD3 1 103 TRP HZ2 . . 5.500 4.191 3.904 4.496 . 0 0 "[ . 1 . 2]" 1
1544 1 76 LYS QE 1 76 LYS HG2 . . 3.410 2.404 2.287 2.481 . 0 0 "[ . 1 . 2]" 1
1545 1 76 LYS QE 1 76 LYS HG3 . . 3.490 2.369 2.102 2.663 . 0 0 "[ . 1 . 2]" 1
1546 1 76 LYS QE 1 103 TRP HH2 . . 3.730 2.938 1.925 3.703 . 0 0 "[ . 1 . 2]" 1
1547 1 76 LYS QE 1 103 TRP HZ2 . . 4.030 3.647 3.036 4.094 0.064 7 0 "[ . 1 . 2]" 1
1548 1 76 LYS HG2 1 103 TRP HH2 . . 4.610 3.078 2.809 3.504 . 0 0 "[ . 1 . 2]" 1
1549 1 76 LYS HG2 1 103 TRP HZ2 . . 4.670 3.099 2.916 3.383 . 0 0 "[ . 1 . 2]" 1
1550 1 76 LYS HG3 1 77 GLY H . . 5.450 4.981 4.811 5.173 . 0 0 "[ . 1 . 2]" 1
1551 1 76 LYS HG3 1 103 TRP HZ2 . . 5.080 4.800 4.526 5.119 0.039 4 0 "[ . 1 . 2]" 1
1552 1 77 GLY HA3 1 78 ALA H . . 3.430 2.713 2.509 2.920 . 0 0 "[ . 1 . 2]" 1
1553 1 77 GLY HA3 1 103 TRP HB2 . . 4.110 3.673 2.794 4.169 0.059 9 0 "[ . 1 . 2]" 1
1554 1 77 GLY HA3 1 103 TRP HB3 . . 3.870 2.986 2.463 3.554 . 0 0 "[ . 1 . 2]" 1
1555 1 78 ALA H 1 85 ILE MD . . 5.350 4.077 3.732 4.435 . 0 0 "[ . 1 . 2]" 1
1556 1 78 ALA H 1 85 ILE HG12 . . 4.840 4.842 4.549 4.920 0.080 12 0 "[ . 1 . 2]" 1
1557 1 78 ALA H 1 85 ILE HG13 . . 4.740 3.769 3.532 4.096 . 0 0 "[ . 1 . 2]" 1
1558 1 78 ALA HA 1 79 LYS H . . 3.100 2.484 2.356 2.600 . 0 0 "[ . 1 . 2]" 1
1559 1 78 ALA MB 1 79 LYS H . . 3.130 2.218 2.107 2.346 . 0 0 "[ . 1 . 2]" 1
1560 1 78 ALA MB 1 79 LYS HA . . 4.290 3.934 3.859 4.050 . 0 0 "[ . 1 . 2]" 1
1561 1 78 ALA MB 1 85 ILE MD . . 3.440 2.230 2.089 2.482 . 0 0 "[ . 1 . 2]" 1
1562 1 78 ALA MB 1 87 TRP HH2 . . 4.340 3.811 3.466 4.096 . 0 0 "[ . 1 . 2]" 1
1563 1 78 ALA MB 1 87 TRP HZ2 . . 3.520 3.046 2.636 3.296 . 0 0 "[ . 1 . 2]" 1
1564 1 79 LYS H 1 79 LYS QB . . 3.790 3.251 3.160 3.314 . 0 0 "[ . 1 . 2]" 1
1565 1 79 LYS H 1 79 LYS HD2 . . 4.860 4.694 3.331 4.935 0.075 10 0 "[ . 1 . 2]" 1
1566 1 79 LYS H 1 79 LYS HD3 . . 5.500 4.960 4.622 5.094 . 0 0 "[ . 1 . 2]" 1
1567 1 79 LYS H 1 79 LYS QE . . 4.430 4.145 3.919 4.312 . 0 0 "[ . 1 . 2]" 1
1568 1 79 LYS H 1 79 LYS HG2 . . 4.130 2.990 2.319 4.011 . 0 0 "[ . 1 . 2]" 1
1569 1 79 LYS H 1 79 LYS HG3 . . 4.080 2.440 2.265 2.754 . 0 0 "[ . 1 . 2]" 1
1570 1 79 LYS H 1 85 ILE MD . . 4.630 4.577 4.294 4.720 0.090 8 0 "[ . 1 . 2]" 1
1571 1 79 LYS H 1 85 ILE HG12 . . 4.900 3.656 3.448 4.011 . 0 0 "[ . 1 . 2]" 1
1572 1 79 LYS H 1 85 ILE HG13 . . 5.310 4.156 3.798 4.533 . 0 0 "[ . 1 . 2]" 1
1573 1 79 LYS H 1 85 ILE MG . . 5.290 4.228 3.772 4.652 . 0 0 "[ . 1 . 2]" 1
1574 1 79 LYS HA 1 79 LYS HG2 . . 4.050 3.870 3.619 4.134 0.084 12 0 "[ . 1 . 2]" 1
1575 1 79 LYS HA 1 79 LYS HG3 . . 3.950 3.665 3.584 3.752 . 0 0 "[ . 1 . 2]" 1
1576 1 79 LYS HA 1 80 LEU H . . 3.110 2.471 2.232 2.688 . 0 0 "[ . 1 . 2]" 1
1577 1 79 LYS HA 1 80 LEU QB . . 4.890 3.954 3.672 4.074 . 0 0 "[ . 1 . 2]" 1
1578 1 79 LYS HA 1 85 ILE HG12 . . 4.180 3.093 2.604 3.609 . 0 0 "[ . 1 . 2]" 1
1579 1 79 LYS HA 1 85 ILE MG . . 3.290 2.388 2.070 2.800 . 0 0 "[ . 1 . 2]" 1
1580 1 79 LYS QB 1 79 LYS QE . . 4.210 3.606 3.359 3.739 . 0 0 "[ . 1 . 2]" 1
1581 1 79 LYS QB 1 80 LEU H . . 3.300 2.357 2.193 2.546 . 0 0 "[ . 1 . 2]" 1
1582 1 79 LYS QB 1 84 PRO HA . . 3.360 2.631 2.205 3.242 . 0 0 "[ . 1 . 2]" 1
1583 1 79 LYS QB 1 84 PRO HB3 . . 4.450 3.980 3.466 4.489 0.039 17 0 "[ . 1 . 2]" 1
1584 1 79 LYS QB 1 85 ILE H . . 5.190 3.894 3.508 4.461 . 0 0 "[ . 1 . 2]" 1
1585 1 79 LYS QB 1 85 ILE HG12 . . 5.150 4.777 4.402 5.156 0.006 20 0 "[ . 1 . 2]" 1
1586 1 79 LYS QB 1 85 ILE MG . . 5.440 3.735 3.364 4.076 . 0 0 "[ . 1 . 2]" 1
1587 1 79 LYS QE 1 79 LYS HG3 . . 3.270 2.168 1.992 2.439 . 0 0 "[ . 1 . 2]" 1
1588 1 80 LEU H 1 80 LEU QB . . 3.610 2.371 2.228 2.533 . 0 0 "[ . 1 . 2]" 1
1589 1 80 LEU H 1 80 LEU QD . . 4.380 3.836 3.623 4.012 . 0 0 "[ . 1 . 2]" 1
1590 1 80 LEU H 1 80 LEU HG . . 4.800 4.476 4.235 4.597 . 0 0 "[ . 1 . 2]" 1
1591 1 80 LEU H 1 81 LEU H . . 4.170 4.189 3.978 4.250 0.080 18 0 "[ . 1 . 2]" 1
1592 1 80 LEU H 1 83 LYS H . . 4.120 3.387 2.929 3.884 . 0 0 "[ . 1 . 2]" 1
1593 1 80 LEU H 1 83 LYS HB2 . . 4.540 4.350 3.756 4.606 0.066 6 0 "[ . 1 . 2]" 1
1594 1 80 LEU H 1 83 LYS HB3 . . 5.080 4.998 4.213 5.166 0.086 20 0 "[ . 1 . 2]" 1
1595 1 80 LEU H 1 84 PRO HA . . 4.320 3.499 3.221 3.983 . 0 0 "[ . 1 . 2]" 1
1596 1 80 LEU H 1 85 ILE H . . 5.350 4.456 3.882 4.842 . 0 0 "[ . 1 . 2]" 1
1597 1 80 LEU H 1 85 ILE MG . . 3.510 2.440 2.033 2.782 . 0 0 "[ . 1 . 2]" 1
1598 1 80 LEU HA 1 80 LEU QD . . 3.080 2.377 2.034 2.962 . 0 0 "[ . 1 . 2]" 1
1599 1 80 LEU HA 1 80 LEU HG . . 3.890 2.586 2.152 3.195 . 0 0 "[ . 1 . 2]" 1
1600 1 80 LEU HA 1 81 LEU H . . 3.090 2.765 2.499 3.104 0.014 7 0 "[ . 1 . 2]" 1
1601 1 80 LEU HA 1 81 LEU HA . . 4.360 4.360 4.226 4.425 0.065 7 0 "[ . 1 . 2]" 1
1602 1 80 LEU QB 1 81 LEU H . . 4.730 2.524 2.133 2.907 . 0 0 "[ . 1 . 2]" 1
1603 1 80 LEU QB 1 81 LEU HA . . 5.500 4.663 4.475 4.825 . 0 0 "[ . 1 . 2]" 1
1604 1 80 LEU QB 1 82 HIS H . . 5.480 3.523 3.211 3.942 . 0 0 "[ . 1 . 2]" 1
1605 1 80 LEU QB 1 83 LYS H . . 4.860 2.982 2.427 3.442 . 0 0 "[ . 1 . 2]" 1
1606 1 80 LEU QB 1 83 LYS QE . . 5.500 4.742 4.275 5.045 . 0 0 "[ . 1 . 2]" 1
1607 1 80 LEU QB 1 85 ILE HB . . 4.190 4.188 4.170 4.197 0.007 2 0 "[ . 1 . 2]" 1
1608 1 80 LEU QB 1 85 ILE HG12 . . 5.500 4.076 3.834 4.301 . 0 0 "[ . 1 . 2]" 1
1609 1 80 LEU QB 1 85 ILE MG . . 3.730 1.892 1.823 1.941 . 0 0 "[ . 1 . 2]" 1
1610 1 80 LEU QD 1 81 LEU H . . 3.940 2.313 1.588 2.932 . 0 0 "[ . 1 . 2]" 1
1611 1 80 LEU HG 1 81 LEU H . . 3.950 2.499 1.673 3.708 . 0 0 "[ . 1 . 2]" 1
1612 1 80 LEU HG 1 85 ILE MG . . 4.060 3.697 2.530 4.173 0.113 12 0 "[ . 1 . 2]" 1
1613 1 81 LEU H 1 81 LEU HA . . 2.880 2.613 2.488 2.769 . 0 0 "[ . 1 . 2]" 1
1614 1 81 LEU H 1 81 LEU HB2 . . 3.830 2.196 2.038 3.201 . 0 0 "[ . 1 . 2]" 1
1615 1 81 LEU H 1 81 LEU HB3 . . 3.850 3.024 2.752 3.600 . 0 0 "[ . 1 . 2]" 1
1616 1 81 LEU H 1 81 LEU QD . . 3.850 3.498 2.078 3.756 . 0 0 "[ . 1 . 2]" 1
1617 1 81 LEU H 1 82 HIS H . . 4.470 3.267 2.718 3.630 . 0 0 "[ . 1 . 2]" 1
1618 1 81 LEU HA 1 81 LEU QD . . 2.980 2.636 2.059 3.105 0.125 3 0 "[ . 1 . 2]" 1
1619 1 81 LEU HA 1 81 LEU HG . . 3.840 2.599 2.126 3.779 . 0 0 "[ . 1 . 2]" 1
1620 1 81 LEU HA 1 82 HIS HD2 . . 4.680 4.751 4.703 4.773 0.093 17 0 "[ . 1 . 2]" 1
1621 1 81 LEU HB2 1 81 LEU QD . . 3.070 2.195 2.089 2.366 . 0 0 "[ . 1 . 2]" 1
1622 1 81 LEU HB2 1 82 HIS H . . 3.270 3.288 2.024 3.363 0.093 16 0 "[ . 1 . 2]" 1
1623 1 81 LEU HB2 1 82 HIS HD2 . . 4.970 3.883 2.863 4.646 . 0 0 "[ . 1 . 2]" 1
1624 1 81 LEU HB3 1 81 LEU QD . . 3.060 2.221 2.117 2.455 . 0 0 "[ . 1 . 2]" 1
1625 1 81 LEU HB3 1 82 HIS H . . 3.240 2.185 1.989 3.350 0.110 3 0 "[ . 1 . 2]" 1
1626 1 81 LEU HB3 1 82 HIS HA . . 4.850 4.656 4.556 5.081 0.231 3 0 "[ . 1 . 2]" 1
1627 1 81 LEU HB3 1 82 HIS HD2 . . 4.110 2.289 2.090 3.115 . 0 0 "[ . 1 . 2]" 1
1628 1 81 LEU HB3 1 83 LYS H . . 5.000 3.999 3.637 5.406 0.406 3 0 "[ . 1 . 2]" 1
1629 1 81 LEU QD 1 82 HIS H . . 4.170 3.265 2.939 3.741 . 0 0 "[ . 1 . 2]" 1
1630 1 81 LEU QD 1 82 HIS HA . . 4.970 4.207 3.682 5.091 0.121 3 0 "[ . 1 . 2]" 1
1631 1 81 LEU QD 1 82 HIS HD2 . . 4.760 2.308 2.019 3.697 . 0 0 "[ . 1 . 2]" 1
1632 1 81 LEU MD2 1 82 HIS HD2 . . 4.950 2.775 2.025 4.550 . 0 0 "[ . 1 . 2]" 1
1633 1 81 LEU HG 1 82 HIS H . . 4.540 4.319 3.889 4.617 0.077 12 0 "[ . 1 . 2]" 1
1634 1 81 LEU HG 1 82 HIS HD2 . . 5.500 4.157 3.172 5.565 0.065 3 0 "[ . 1 . 2]" 1
1635 1 82 HIS H 1 82 HIS QB . . 3.820 3.168 3.057 3.330 . 0 0 "[ . 1 . 2]" 1
1636 1 82 HIS H 1 82 HIS HD2 . . 5.500 2.560 2.231 3.376 . 0 0 "[ . 1 . 2]" 1
1637 1 82 HIS H 1 83 LYS H . . 3.570 1.996 1.711 2.382 . 0 0 "[ . 1 . 2]" 1
1638 1 82 HIS H 1 83 LYS HG2 . . 4.670 4.668 4.027 4.756 0.086 8 0 "[ . 1 . 2]" 1
1639 1 82 HIS H 1 83 LYS HG3 . . 5.100 3.788 3.231 4.381 . 0 0 "[ . 1 . 2]" 1
1640 1 82 HIS HA 1 82 HIS HD2 . . 4.340 4.284 4.207 4.399 0.059 3 0 "[ . 1 . 2]" 1
1641 1 82 HIS QB 1 82 HIS HD2 . . 3.210 2.816 2.623 2.949 . 0 0 "[ . 1 . 2]" 1
1642 1 82 HIS QB 1 83 LYS H . . 4.670 3.994 3.628 4.132 . 0 0 "[ . 1 . 2]" 1
1643 1 82 HIS QB 1 83 LYS HG2 . . 4.980 4.556 4.244 5.045 0.065 14 0 "[ . 1 . 2]" 1
1644 1 82 HIS QB 1 83 LYS HG3 . . 5.500 4.575 3.955 5.420 . 0 0 "[ . 1 . 2]" 1
1645 1 82 HIS HE1 1 83 LYS HD3 . . 5.320 4.051 2.964 5.366 0.046 2 0 "[ . 1 . 2]" 1
1646 1 83 LYS H 1 83 LYS HB2 . . 3.790 2.449 2.258 2.664 . 0 0 "[ . 1 . 2]" 1
1647 1 83 LYS H 1 83 LYS HB3 . . 3.800 3.623 3.501 3.763 . 0 0 "[ . 1 . 2]" 1
1648 1 83 LYS H 1 83 LYS HD2 . . 5.160 5.154 4.763 5.248 0.088 11 0 "[ . 1 . 2]" 1
1649 1 83 LYS H 1 83 LYS HG2 . . 4.180 3.658 3.108 4.060 . 0 0 "[ . 1 . 2]" 1
1650 1 83 LYS H 1 83 LYS HG3 . . 4.240 3.247 2.423 4.148 . 0 0 "[ . 1 . 2]" 1
1651 1 83 LYS H 1 84 PRO HD2 . . 5.370 4.952 4.840 5.070 . 0 0 "[ . 1 . 2]" 1
1652 1 83 LYS H 1 84 PRO HD3 . . 5.190 4.915 4.724 5.053 . 0 0 "[ . 1 . 2]" 1
1653 1 83 LYS HA 1 83 LYS HG2 . . 3.860 2.220 2.150 2.392 . 0 0 "[ . 1 . 2]" 1
1654 1 83 LYS HA 1 83 LYS HG3 . . 3.830 3.282 3.023 3.541 . 0 0 "[ . 1 . 2]" 1
1655 1 83 LYS HA 1 84 PRO HD2 . . 3.030 2.684 2.485 2.943 . 0 0 "[ . 1 . 2]" 1
1656 1 83 LYS HA 1 84 PRO HD3 . . 3.150 2.200 2.079 2.324 . 0 0 "[ . 1 . 2]" 1
1657 1 83 LYS HB2 1 83 LYS QE . . 4.430 2.779 2.498 3.262 . 0 0 "[ . 1 . 2]" 1
1658 1 83 LYS HB2 1 84 PRO HD3 . . 4.790 4.607 4.385 4.758 . 0 0 "[ . 1 . 2]" 1
1659 1 83 LYS HB3 1 84 PRO HD2 . . 4.170 2.180 2.024 2.446 . 0 0 "[ . 1 . 2]" 1
1660 1 83 LYS HB3 1 84 PRO HD3 . . 3.760 3.371 3.060 3.652 . 0 0 "[ . 1 . 2]" 1
1661 1 83 LYS HD2 1 84 PRO HD3 . . 4.780 4.288 3.143 5.097 0.317 20 0 "[ . 1 . 2]" 1
1662 1 83 LYS HD3 1 84 PRO HD2 . . 5.500 4.427 3.737 5.220 . 0 0 "[ . 1 . 2]" 1
1663 1 83 LYS QE 1 83 LYS HG3 . . 3.440 2.229 2.005 2.500 . 0 0 "[ . 1 . 2]" 1
1664 1 83 LYS HG2 1 84 PRO HD3 . . 5.240 3.798 3.651 4.033 . 0 0 "[ . 1 . 2]" 1
1665 1 83 LYS HG3 1 84 PRO HD2 . . 5.460 4.654 4.433 4.898 . 0 0 "[ . 1 . 2]" 1
1666 1 83 LYS HG3 1 84 PRO HD3 . . 5.090 5.133 4.888 5.174 0.084 11 0 "[ . 1 . 2]" 1
1667 1 84 PRO HA 1 85 ILE H . . 3.000 2.388 2.201 2.511 . 0 0 "[ . 1 . 2]" 1
1668 1 84 PRO HA 1 85 ILE HG13 . . 4.410 4.423 4.246 4.480 0.070 13 0 "[ . 1 . 2]" 1
1669 1 84 PRO HA 1 85 ILE MG . . 5.040 3.380 3.134 3.934 . 0 0 "[ . 1 . 2]" 1
1670 1 84 PRO HB2 1 85 ILE H . . 3.940 2.899 2.622 3.510 . 0 0 "[ . 1 . 2]" 1
1671 1 84 PRO HB3 1 85 ILE H . . 3.960 3.750 3.604 4.036 0.076 16 0 "[ . 1 . 2]" 1
1672 1 84 PRO HG2 1 85 ILE H . . 5.330 4.530 4.222 4.893 . 0 0 "[ . 1 . 2]" 1
1673 1 85 ILE H 1 85 ILE MD . . 4.200 3.960 3.824 4.062 . 0 0 "[ . 1 . 2]" 1
1674 1 85 ILE H 1 85 ILE HG12 . . 3.820 3.650 3.296 3.867 0.047 20 0 "[ . 1 . 2]" 1
1675 1 85 ILE H 1 85 ILE HG13 . . 3.680 2.462 2.297 2.649 . 0 0 "[ . 1 . 2]" 1
1676 1 85 ILE H 1 85 ILE MG . . 3.640 2.876 2.703 3.040 . 0 0 "[ . 1 . 2]" 1
1677 1 85 ILE H 1 86 VAL H . . 5.010 4.414 4.303 4.502 . 0 0 "[ . 1 . 2]" 1
1678 1 85 ILE HA 1 85 ILE MD . . 4.160 3.751 3.661 3.875 . 0 0 "[ . 1 . 2]" 1
1679 1 85 ILE HA 1 85 ILE MG . . 3.240 2.414 2.290 2.497 . 0 0 "[ . 1 . 2]" 1
1680 1 85 ILE HA 1 86 VAL H . . 3.060 2.359 2.232 2.570 . 0 0 "[ . 1 . 2]" 1
1681 1 85 ILE HA 1 86 VAL HA . . 4.790 4.542 4.477 4.661 . 0 0 "[ . 1 . 2]" 1
1682 1 85 ILE HA 1 86 VAL MG2 . . 4.450 3.787 3.635 3.974 . 0 0 "[ . 1 . 2]" 1
1683 1 85 ILE HB 1 85 ILE MD . . 3.290 2.265 2.217 2.313 . 0 0 "[ . 1 . 2]" 1
1684 1 85 ILE HB 1 86 VAL H . . 3.220 2.623 2.355 2.745 . 0 0 "[ . 1 . 2]" 1
1685 1 85 ILE HB 1 86 VAL HA . . 5.220 4.637 4.543 4.829 . 0 0 "[ . 1 . 2]" 1
1686 1 85 ILE HB 1 86 VAL MG2 . . 4.640 4.629 4.510 4.727 0.087 9 0 "[ . 1 . 2]" 1
1687 1 85 ILE MD 1 85 ILE MG . . 3.250 2.987 2.850 3.111 . 0 0 "[ . 1 . 2]" 1
1688 1 85 ILE MD 1 86 VAL H . . 3.800 2.979 2.737 3.197 . 0 0 "[ . 1 . 2]" 1
1689 1 85 ILE MD 1 86 VAL HA . . 3.980 2.932 2.636 3.309 . 0 0 "[ . 1 . 2]" 1
1690 1 85 ILE MD 1 87 TRP H . . 5.500 4.041 3.704 4.708 . 0 0 "[ . 1 . 2]" 1
1691 1 85 ILE MD 1 87 TRP HA . . 5.170 3.955 3.690 4.278 . 0 0 "[ . 1 . 2]" 1
1692 1 85 ILE MD 1 87 TRP HE1 . . 4.750 4.089 3.583 4.659 . 0 0 "[ . 1 . 2]" 1
1693 1 85 ILE MD 1 87 TRP HE3 . . 5.000 3.782 3.423 4.154 . 0 0 "[ . 1 . 2]" 1
1694 1 85 ILE MD 1 87 TRP HH2 . . 4.140 3.315 2.875 3.732 . 0 0 "[ . 1 . 2]" 1
1695 1 85 ILE MD 1 87 TRP HZ2 . . 3.610 3.249 2.858 3.614 0.004 6 0 "[ . 1 . 2]" 1
1696 1 85 ILE HG12 1 85 ILE MG . . 3.590 2.182 2.128 2.277 . 0 0 "[ . 1 . 2]" 1
1697 1 85 ILE MG 1 86 VAL H . . 3.920 3.858 3.665 3.951 0.031 13 0 "[ . 1 . 2]" 1
1698 1 86 VAL H 1 86 VAL MG1 . . 4.130 3.175 2.971 3.279 . 0 0 "[ . 1 . 2]" 1
1699 1 86 VAL H 1 86 VAL MG2 . . 3.460 2.428 2.283 2.640 . 0 0 "[ . 1 . 2]" 1
1700 1 86 VAL H 1 87 TRP H . . 5.330 4.381 4.318 4.450 . 0 0 "[ . 1 . 2]" 1
1701 1 86 VAL HA 1 86 VAL MG1 . . 3.160 2.323 2.235 2.401 . 0 0 "[ . 1 . 2]" 1
1702 1 86 VAL HA 1 87 TRP H . . 3.200 2.483 2.312 2.723 . 0 0 "[ . 1 . 2]" 1
1703 1 86 VAL HA 1 87 TRP HA . . 4.960 4.459 4.373 4.532 . 0 0 "[ . 1 . 2]" 1
1704 1 86 VAL HA 1 101 ASN HA . . 5.120 4.324 3.640 4.891 . 0 0 "[ . 1 . 2]" 1
1705 1 86 VAL HA 1 104 CYS QB . . 4.630 3.386 2.917 3.778 . 0 0 "[ . 1 . 2]" 1
1706 1 86 VAL HB 1 87 TRP H . . 3.140 2.370 2.002 2.817 . 0 0 "[ . 1 . 2]" 1
1707 1 86 VAL HB 1 87 TRP HA . . 5.020 4.648 4.414 4.958 . 0 0 "[ . 1 . 2]" 1
1708 1 86 VAL HB 1 87 TRP HB2 . . 4.890 4.696 4.374 4.959 0.069 15 0 "[ . 1 . 2]" 1
1709 1 86 VAL HB 1 101 ASN HA . . 5.410 4.197 3.481 4.766 . 0 0 "[ . 1 . 2]" 1
1710 1 86 VAL HB 1 101 ASN HD21 . . 5.500 4.271 3.551 5.146 . 0 0 "[ . 1 . 2]" 1
1711 1 86 VAL HB 1 101 ASN HD22 . . 4.660 2.951 2.592 3.878 . 0 0 "[ . 1 . 2]" 1
1712 1 86 VAL HB 1 104 CYS QB . . 5.370 4.096 3.610 4.387 . 0 0 "[ . 1 . 2]" 1
1713 1 86 VAL MG1 1 87 TRP H . . 4.040 3.650 3.432 3.876 . 0 0 "[ . 1 . 2]" 1
1714 1 86 VAL MG1 1 101 ASN HA . . 4.350 3.599 2.954 4.458 0.108 9 0 "[ . 1 . 2]" 1
1715 1 86 VAL MG1 1 104 CYS H . . 4.820 4.510 3.895 4.919 0.099 9 0 "[ . 1 . 2]" 1
1716 1 86 VAL MG1 1 104 CYS HA . . 5.090 4.397 3.961 4.833 . 0 0 "[ . 1 . 2]" 1
1717 1 86 VAL MG1 1 104 CYS QB . . 3.600 2.231 1.934 2.657 . 0 0 "[ . 1 . 2]" 1
1718 1 86 VAL MG2 1 87 TRP H . . 3.970 3.410 2.726 3.847 . 0 0 "[ . 1 . 2]" 1
1719 1 86 VAL MG2 1 87 TRP HA . . 5.300 4.111 3.748 4.437 . 0 0 "[ . 1 . 2]" 1
1720 1 86 VAL MG2 1 88 HIS QB . . 4.530 3.261 2.865 3.680 . 0 0 "[ . 1 . 2]" 1
1721 1 86 VAL MG2 1 88 HIS HD2 . . 4.430 4.183 3.763 4.513 0.083 8 0 "[ . 1 . 2]" 1
1722 1 87 TRP H 1 87 TRP HB2 . . 3.780 2.604 2.479 2.751 . 0 0 "[ . 1 . 2]" 1
1723 1 87 TRP H 1 87 TRP HD1 . . 3.730 3.184 2.698 3.797 0.067 20 0 "[ . 1 . 2]" 1
1724 1 87 TRP H 1 88 HIS H . . 4.930 4.416 4.198 4.615 . 0 0 "[ . 1 . 2]" 1
1725 1 87 TRP H 1 97 THR HB . . 5.270 4.438 4.034 5.005 . 0 0 "[ . 1 . 2]" 1
1726 1 87 TRP H 1 97 THR MG . . 5.500 4.719 4.302 5.607 0.107 13 0 "[ . 1 . 2]" 1
1727 1 87 TRP H 1 101 ASN HA . . 4.690 4.201 3.695 4.732 0.042 20 0 "[ . 1 . 2]" 1
1728 1 87 TRP H 1 101 ASN HD21 . . 4.730 3.947 3.354 4.746 0.016 4 0 "[ . 1 . 2]" 1
1729 1 87 TRP H 1 101 ASN HD22 . . 4.060 2.944 2.439 3.968 . 0 0 "[ . 1 . 2]" 1
1730 1 87 TRP HA 1 87 TRP HE3 . . 3.750 2.425 2.198 2.670 . 0 0 "[ . 1 . 2]" 1
1731 1 87 TRP HA 1 87 TRP HZ3 . . 4.710 4.656 4.468 4.777 0.067 4 0 "[ . 1 . 2]" 1
1732 1 87 TRP HA 1 88 HIS H . . 3.050 2.214 2.123 2.406 . 0 0 "[ . 1 . 2]" 1
1733 1 87 TRP HA 1 88 HIS HD2 . . 4.780 4.105 3.721 4.418 . 0 0 "[ . 1 . 2]" 1
1734 1 87 TRP HB2 1 87 TRP HD1 . . 3.700 2.555 2.462 2.875 . 0 0 "[ . 1 . 2]" 1
1735 1 87 TRP HB2 1 88 HIS H . . 4.770 4.142 3.741 4.360 . 0 0 "[ . 1 . 2]" 1
1736 1 87 TRP HB2 1 97 THR HB . . 4.460 2.743 2.383 3.270 . 0 0 "[ . 1 . 2]" 1
1737 1 87 TRP HB2 1 97 THR MG . . 4.040 2.600 2.268 3.474 . 0 0 "[ . 1 . 2]" 1
1738 1 87 TRP HB3 1 88 HIS H . . 4.080 3.353 2.931 3.707 . 0 0 "[ . 1 . 2]" 1
1739 1 87 TRP HB3 1 97 THR MG . . 4.030 2.641 2.248 3.840 . 0 0 "[ . 1 . 2]" 1
1740 1 87 TRP HB3 1 101 ASN HD22 . . 5.500 4.971 4.267 5.562 0.062 4 0 "[ . 1 . 2]" 1
1741 1 87 TRP HD1 1 100 PRO HB2 . . 3.440 2.200 2.075 2.366 . 0 0 "[ . 1 . 2]" 1
1742 1 87 TRP HD1 1 100 PRO HB3 . . 3.780 3.707 3.529 3.857 0.077 13 0 "[ . 1 . 2]" 1
1743 1 87 TRP HD1 1 100 PRO HG2 . . 5.200 2.509 2.150 3.669 . 0 0 "[ . 1 . 2]" 1
1744 1 87 TRP HD1 1 101 ASN H . . 4.670 4.149 3.770 4.604 . 0 0 "[ . 1 . 2]" 1
1745 1 87 TRP HD1 1 101 ASN HA . . 4.320 4.206 3.627 4.404 0.084 6 0 "[ . 1 . 2]" 1
1746 1 87 TRP HE1 1 100 PRO HA . . 5.290 4.913 4.600 5.358 0.068 16 0 "[ . 1 . 2]" 1
1747 1 87 TRP HE1 1 100 PRO HB2 . . 4.540 2.604 2.271 3.245 . 0 0 "[ . 1 . 2]" 1
1748 1 87 TRP HE1 1 100 PRO HB3 . . 4.300 3.641 3.276 4.188 . 0 0 "[ . 1 . 2]" 1
1749 1 87 TRP HE3 1 88 HIS H . . 4.740 3.885 3.566 4.091 . 0 0 "[ . 1 . 2]" 1
1750 1 88 HIS H 1 88 HIS HD2 . . 3.590 2.698 2.188 3.271 . 0 0 "[ . 1 . 2]" 1
1751 1 88 HIS H 1 97 THR HB . . 5.500 5.447 4.995 5.582 0.082 13 0 "[ . 1 . 2]" 1
1752 1 88 HIS H 1 97 THR MG . . 5.450 4.288 3.889 4.914 . 0 0 "[ . 1 . 2]" 1
1753 1 88 HIS HA 1 88 HIS HD2 . . 4.980 4.474 4.259 4.665 . 0 0 "[ . 1 . 2]" 1
1754 1 88 HIS HA 1 89 ILE H . . 3.030 2.261 2.108 2.443 . 0 0 "[ . 1 . 2]" 1
1755 1 88 HIS HA 1 89 ILE HB . . 5.460 4.308 3.786 4.647 . 0 0 "[ . 1 . 2]" 1
1756 1 88 HIS HA 1 91 GLN H . . 5.490 5.000 4.581 5.373 . 0 0 "[ . 1 . 2]" 1
1757 1 88 HIS HA 1 92 ALA H . . 4.300 4.274 3.596 4.391 0.091 6 0 "[ . 1 . 2]" 1
1758 1 88 HIS HA 1 97 THR MG . . 4.240 3.651 2.843 4.337 0.097 13 0 "[ . 1 . 2]" 1
1759 1 88 HIS QB 1 88 HIS HD2 . . 3.640 2.810 2.584 3.033 . 0 0 "[ . 1 . 2]" 1
1760 1 88 HIS QB 1 89 ILE H . . 3.460 2.712 2.370 3.269 . 0 0 "[ . 1 . 2]" 1
1761 1 88 HIS QB 1 91 GLN H . . 4.380 3.273 2.895 4.047 . 0 0 "[ . 1 . 2]" 1
1762 1 88 HIS QB 1 92 ALA H . . 3.590 3.355 2.485 3.707 0.117 7 0 "[ . 1 . 2]" 1
1763 1 88 HIS QB 1 97 THR MG . . 5.500 5.005 4.351 5.574 0.074 13 0 "[ . 1 . 2]" 1
1764 1 88 HIS HE1 1 90 ASN H . . 4.520 4.549 4.277 4.607 0.087 20 0 "[ . 1 . 2]" 1
1765 1 88 HIS HE1 1 91 GLN H . . 3.830 3.767 3.437 3.914 0.084 6 0 "[ . 1 . 2]" 1
1766 1 88 HIS HE1 1 91 GLN HA . . 5.290 4.509 3.741 5.086 . 0 0 "[ . 1 . 2]" 1
1767 1 88 HIS HE1 1 91 GLN QG . . 4.670 3.708 2.776 4.254 . 0 0 "[ . 1 . 2]" 1
1768 1 89 ILE H 1 89 ILE HB . . 3.570 2.627 2.251 2.768 . 0 0 "[ . 1 . 2]" 1
1769 1 89 ILE H 1 89 ILE MD . . 4.810 4.251 3.864 4.588 . 0 0 "[ . 1 . 2]" 1
1770 1 89 ILE H 1 89 ILE QG . . 4.390 3.334 2.865 4.152 . 0 0 "[ . 1 . 2]" 1
1771 1 89 ILE H 1 89 ILE MG . . 4.200 3.556 2.178 3.867 . 0 0 "[ . 1 . 2]" 1
1772 1 89 ILE H 1 90 ASN H . . 4.720 3.776 2.299 4.189 . 0 0 "[ . 1 . 2]" 1
1773 1 89 ILE H 1 91 GLN H . . 4.610 3.697 3.126 4.294 . 0 0 "[ . 1 . 2]" 1
1774 1 89 ILE H 1 91 GLN HA . . 5.280 4.506 3.883 5.153 . 0 0 "[ . 1 . 2]" 1
1775 1 89 ILE H 1 92 ALA H . . 3.390 2.706 2.210 3.055 . 0 0 "[ . 1 . 2]" 1
1776 1 89 ILE H 1 93 THR HA . . 4.520 3.928 3.445 4.438 . 0 0 "[ . 1 . 2]" 1
1777 1 89 ILE H 1 94 THR MG . . 4.710 4.514 3.966 4.792 0.082 11 0 "[ . 1 . 2]" 1
1778 1 89 ILE H 1 97 THR MG . . 4.850 3.954 3.344 4.411 . 0 0 "[ . 1 . 2]" 1
1779 1 89 ILE HA 1 89 ILE MD . . 4.170 3.860 3.641 4.000 . 0 0 "[ . 1 . 2]" 1
1780 1 89 ILE HA 1 89 ILE QG . . 3.610 2.382 2.184 2.608 . 0 0 "[ . 1 . 2]" 1
1781 1 89 ILE HA 1 89 ILE MG . . 3.150 2.663 2.336 3.224 0.074 3 0 "[ . 1 . 2]" 1
1782 1 89 ILE HA 1 90 ASN H . . 2.950 2.358 2.172 3.027 0.077 3 0 "[ . 1 . 2]" 1
1783 1 89 ILE HA 1 90 ASN HB3 . . 5.030 4.813 4.341 5.727 0.697 2 4 "[ + .* 1 .- *]" 1
1784 1 89 ILE HA 1 91 GLN H . . 4.700 4.161 3.722 4.769 0.069 3 0 "[ . 1 . 2]" 1
1785 1 89 ILE HA 1 92 ALA H . . 4.720 4.623 4.349 4.806 0.086 13 0 "[ . 1 . 2]" 1
1786 1 89 ILE HA 1 97 THR MG . . 5.500 4.626 4.315 4.963 . 0 0 "[ . 1 . 2]" 1
1787 1 89 ILE HB 1 89 ILE MD . . 3.570 2.374 2.250 2.439 . 0 0 "[ . 1 . 2]" 1
1788 1 89 ILE HB 1 90 ASN H . . 4.580 4.453 4.252 4.653 0.073 20 0 "[ . 1 . 2]" 1
1789 1 89 ILE HB 1 92 ALA H . . 5.120 4.214 3.781 4.823 . 0 0 "[ . 1 . 2]" 1
1790 1 89 ILE HB 1 97 THR MG . . 4.960 3.403 2.443 3.632 . 0 0 "[ . 1 . 2]" 1
1791 1 89 ILE MD 1 90 ASN H . . 5.500 5.468 5.353 5.586 0.086 7 0 "[ . 1 . 2]" 1
1792 1 89 ILE MD 1 94 THR MG . . 3.590 2.842 2.122 3.613 0.023 1 0 "[ . 1 . 2]" 1
1793 1 89 ILE MD 1 96 THR HB . . 3.570 3.105 2.447 3.605 0.035 8 0 "[ . 1 . 2]" 1
1794 1 89 ILE MD 1 97 THR H . . 4.720 3.925 3.505 4.638 . 0 0 "[ . 1 . 2]" 1
1795 1 89 ILE MD 1 97 THR MG . . 3.740 2.142 1.937 2.965 . 0 0 "[ . 1 . 2]" 1
1796 1 89 ILE QG 1 89 ILE MG . . 3.340 2.306 2.185 2.414 . 0 0 "[ . 1 . 2]" 1
1797 1 89 ILE QG 1 90 ASN H . . 4.970 4.315 4.024 4.548 . 0 0 "[ . 1 . 2]" 1
1798 1 89 ILE QG 1 97 THR MG . . 4.620 2.467 2.082 4.229 . 0 0 "[ . 1 . 2]" 1
1799 1 89 ILE MG 1 90 ASN H . . 3.670 3.196 2.865 3.568 . 0 0 "[ . 1 . 2]" 1
1800 1 89 ILE MG 1 90 ASN HA . . 4.490 4.303 4.119 4.530 0.040 16 0 "[ . 1 . 2]" 1
1801 1 89 ILE MG 1 90 ASN HB2 . . 4.100 3.919 2.756 4.228 0.128 3 0 "[ . 1 . 2]" 1
1802 1 89 ILE MG 1 90 ASN HB3 . . 3.490 3.317 2.793 4.207 0.717 16 4 "[ * .* 1 .+ -]" 1
1803 1 89 ILE MG 1 90 ASN HD21 . . 4.280 3.666 1.930 4.388 0.108 18 0 "[ . 1 . 2]" 1
1804 1 89 ILE MG 1 90 ASN HD22 . . 4.560 3.510 2.385 4.116 . 0 0 "[ . 1 . 2]" 1
1805 1 89 ILE MG 1 91 GLN H . . 5.500 4.773 4.299 5.029 . 0 0 "[ . 1 . 2]" 1
1806 1 89 ILE MG 1 92 ALA H . . 4.900 4.089 2.707 4.726 . 0 0 "[ . 1 . 2]" 1
1807 1 89 ILE MG 1 97 THR MG . . 4.090 4.138 3.309 4.232 0.142 7 0 "[ . 1 . 2]" 1
1808 1 90 ASN H 1 90 ASN HA . . 2.790 2.297 2.185 2.682 . 0 0 "[ . 1 . 2]" 1
1809 1 90 ASN H 1 90 ASN HB2 . . 3.990 3.888 3.604 4.086 0.096 19 0 "[ . 1 . 2]" 1
1810 1 90 ASN H 1 90 ASN HB3 . . 3.870 3.316 2.741 4.072 0.202 20 0 "[ . 1 . 2]" 1
1811 1 90 ASN H 1 91 GLN H . . 3.750 2.690 1.644 3.236 . 0 0 "[ . 1 . 2]" 1
1812 1 90 ASN H 1 92 ALA H . . 4.990 4.001 2.390 4.515 . 0 0 "[ . 1 . 2]" 1
1813 1 90 ASN HA 1 91 GLN H . . 3.440 2.793 2.554 3.022 . 0 0 "[ . 1 . 2]" 1
1814 1 90 ASN HA 1 91 GLN HA . . 4.890 4.799 4.671 4.919 0.029 17 0 "[ . 1 . 2]" 1
1815 1 90 ASN HA 1 91 GLN QG . . 5.220 3.618 3.142 4.634 . 0 0 "[ . 1 . 2]" 1
1816 1 90 ASN HA 1 92 ALA H . . 4.600 4.462 4.198 4.669 0.069 17 0 "[ . 1 . 2]" 1
1817 1 90 ASN HB2 1 91 GLN H . . 4.680 4.446 4.186 4.580 . 0 0 "[ . 1 . 2]" 1
1818 1 90 ASN HB2 1 92 ALA H . . 5.060 4.760 3.455 5.151 0.091 7 0 "[ . 1 . 2]" 1
1819 1 90 ASN HB2 1 92 ALA MB . . 4.710 4.371 2.959 4.821 0.111 15 0 "[ . 1 . 2]" 1
1820 1 90 ASN HB3 1 90 ASN HD21 . . 3.570 3.530 2.948 3.641 0.071 19 0 "[ . 1 . 2]" 1
1821 1 90 ASN HB3 1 91 GLN H . . 5.010 4.609 4.419 4.757 . 0 0 "[ . 1 . 2]" 1
1822 1 90 ASN HB3 1 92 ALA H . . 5.500 5.114 4.402 5.407 . 0 0 "[ . 1 . 2]" 1
1823 1 91 GLN H 1 91 GLN QG . . 4.120 2.895 2.534 3.403 . 0 0 "[ . 1 . 2]" 1
1824 1 91 GLN H 1 92 ALA H . . 3.300 2.742 2.291 3.110 . 0 0 "[ . 1 . 2]" 1
1825 1 91 GLN H 1 92 ALA MB . . 4.960 4.576 4.242 4.868 . 0 0 "[ . 1 . 2]" 1
1826 1 91 GLN HA 1 91 GLN QG . . 3.780 2.584 2.396 3.281 . 0 0 "[ . 1 . 2]" 1
1827 1 91 GLN HA 1 92 ALA H . . 3.590 3.052 2.757 3.162 . 0 0 "[ . 1 . 2]" 1
1828 1 91 GLN HA 1 92 ALA HA . . 4.580 4.497 4.259 4.618 0.038 15 0 "[ . 1 . 2]" 1
1829 1 91 GLN HB2 1 92 ALA H . . 5.470 4.194 3.913 4.399 . 0 0 "[ . 1 . 2]" 1
1830 1 91 GLN HB3 1 91 GLN HE22 . . 5.350 4.229 3.527 5.280 . 0 0 "[ . 1 . 2]" 1
1831 1 92 ALA H 1 92 ALA MB . . 3.100 2.535 2.413 2.755 . 0 0 "[ . 1 . 2]" 1
1832 1 92 ALA H 1 93 THR H . . 4.800 4.362 4.216 4.457 . 0 0 "[ . 1 . 2]" 1
1833 1 92 ALA H 1 94 THR MG . . 5.100 4.918 4.447 5.197 0.097 3 0 "[ . 1 . 2]" 1
1834 1 92 ALA HA 1 93 THR H . . 3.030 2.442 2.156 2.633 . 0 0 "[ . 1 . 2]" 1
1835 1 92 ALA HA 1 93 THR HB . . 5.500 4.599 4.170 5.305 . 0 0 "[ . 1 . 2]" 1
1836 1 92 ALA HA 1 93 THR MG . . 4.080 3.792 3.441 4.106 0.026 8 0 "[ . 1 . 2]" 1
1837 1 92 ALA MB 1 93 THR H . . 3.090 2.327 2.070 3.129 0.039 6 0 "[ . 1 . 2]" 1
1838 1 92 ALA MB 1 94 THR H . . 5.190 4.953 3.931 5.252 0.062 13 0 "[ . 1 . 2]" 1
1839 1 92 ALA MB 1 94 THR MG . . 3.250 3.097 2.405 3.379 0.129 13 0 "[ . 1 . 2]" 1
1840 1 93 THR H 1 93 THR HB . . 4.160 3.207 2.936 3.634 . 0 0 "[ . 1 . 2]" 1
1841 1 93 THR H 1 93 THR MG . . 3.100 2.270 1.914 2.434 . 0 0 "[ . 1 . 2]" 1
1842 1 93 THR H 1 94 THR H . . 5.110 4.332 3.895 4.473 . 0 0 "[ . 1 . 2]" 1
1843 1 93 THR H 1 94 THR MG . . 4.780 4.023 3.523 4.674 . 0 0 "[ . 1 . 2]" 1
1844 1 93 THR HA 1 94 THR H . . 3.060 2.346 2.064 2.522 . 0 0 "[ . 1 . 2]" 1
1845 1 93 THR HA 1 94 THR MG . . 4.070 3.371 2.805 3.749 . 0 0 "[ . 1 . 2]" 1
1846 1 93 THR HA 1 97 THR H . . 5.060 4.640 4.368 4.918 . 0 0 "[ . 1 . 2]" 1
1847 1 93 THR HA 1 97 THR MG . . 4.700 3.921 3.395 4.250 . 0 0 "[ . 1 . 2]" 1
1848 1 93 THR HA 1 101 ASN HD21 . . 5.460 4.739 3.689 5.324 . 0 0 "[ . 1 . 2]" 1
1849 1 93 THR HA 1 101 ASN HD22 . . 5.500 4.775 3.999 5.310 . 0 0 "[ . 1 . 2]" 1
1850 1 93 THR HB 1 94 THR H . . 4.410 3.981 3.487 4.466 0.056 14 0 "[ . 1 . 2]" 1
1851 1 93 THR HB 1 97 THR MG . . 5.460 5.317 4.782 5.568 0.108 5 0 "[ . 1 . 2]" 1
1852 1 93 THR HB 1 101 ASN HD21 . . 4.670 4.109 2.465 4.745 0.075 14 0 "[ . 1 . 2]" 1
1853 1 93 THR HB 1 101 ASN HD22 . . 4.410 3.987 3.091 4.483 0.073 17 0 "[ . 1 . 2]" 1
1854 1 93 THR MG 1 94 THR H . . 4.590 3.806 3.307 4.419 . 0 0 "[ . 1 . 2]" 1
1855 1 93 THR MG 1 94 THR HA . . 5.460 4.284 3.933 5.077 . 0 0 "[ . 1 . 2]" 1
1856 1 93 THR MG 1 101 ASN HD21 . . 5.500 4.835 3.433 5.597 0.097 16 0 "[ . 1 . 2]" 1
1857 1 93 THR MG 1 101 ASN HD22 . . 5.500 5.031 4.103 5.581 0.081 11 0 "[ . 1 . 2]" 1
1858 1 94 THR H 1 94 THR MG . . 3.640 2.931 2.231 3.362 . 0 0 "[ . 1 . 2]" 1
1859 1 94 THR H 1 97 THR H . . 3.700 2.862 2.617 3.133 . 0 0 "[ . 1 . 2]" 1
1860 1 94 THR H 1 97 THR HA . . 5.500 4.948 4.694 5.337 . 0 0 "[ . 1 . 2]" 1
1861 1 94 THR H 1 97 THR HB . . 4.450 3.936 3.558 4.263 . 0 0 "[ . 1 . 2]" 1
1862 1 94 THR H 1 97 THR MG . . 4.180 3.814 3.258 4.239 0.059 12 0 "[ . 1 . 2]" 1
1863 1 94 THR H 1 98 PHE H . . 4.770 3.564 3.101 4.525 . 0 0 "[ . 1 . 2]" 1
1864 1 94 THR HA 1 94 THR MG . . 3.100 2.555 2.355 3.211 0.111 12 0 "[ . 1 . 2]" 1
1865 1 94 THR HA 1 97 THR H . . 5.120 4.621 4.433 4.857 . 0 0 "[ . 1 . 2]" 1
1866 1 94 THR MG 1 96 THR HB . . 5.500 4.099 2.175 4.863 . 0 0 "[ . 1 . 2]" 1
1867 1 94 THR MG 1 97 THR H . . 5.080 4.133 2.588 4.652 . 0 0 "[ . 1 . 2]" 1
1868 1 94 THR MG 1 97 THR MG . . 4.380 3.961 2.907 4.482 0.102 3 0 "[ . 1 . 2]" 1
1869 1 95 LYS HA 1 95 LYS HB2 . . 2.920 2.803 2.380 3.036 0.116 2 0 "[ . 1 . 2]" 1
1870 1 95 LYS HA 1 95 LYS HD2 . . 4.410 4.043 2.332 4.726 0.316 10 0 "[ . 1 . 2]" 1
1871 1 95 LYS HA 1 95 LYS HG2 . . 3.790 2.554 2.173 3.549 . 0 0 "[ . 1 . 2]" 1
1872 1 95 LYS HA 1 97 THR H . . 4.850 4.300 3.803 4.649 . 0 0 "[ . 1 . 2]" 1
1873 1 95 LYS HA 1 98 PHE H . . 3.970 3.325 3.018 3.551 . 0 0 "[ . 1 . 2]" 1
1874 1 95 LYS HA 1 98 PHE HB2 . . 3.410 3.236 2.560 3.470 0.060 15 0 "[ . 1 . 2]" 1
1875 1 95 LYS HA 1 98 PHE HB3 . . 3.730 2.158 1.953 2.309 . 0 0 "[ . 1 . 2]" 1
1876 1 95 LYS HA 1 98 PHE QD . . 5.090 2.891 2.205 3.952 . 0 0 "[ . 1 . 2]" 1
1877 1 95 LYS HA 1 99 LYS H . . 4.590 4.249 3.840 4.631 0.041 13 0 "[ . 1 . 2]" 1
1878 1 95 LYS HB3 1 95 LYS HD2 . . 3.270 2.964 2.287 3.833 0.563 9 3 "[ . +* - . 2]" 1
1879 1 95 LYS HD2 1 95 LYS HG3 . . 2.640 2.636 2.387 3.053 0.413 4 0 "[ . 1 . 2]" 1
1880 1 96 THR H 1 97 THR H . . 4.640 2.773 2.173 3.077 . 0 0 "[ . 1 . 2]" 1
1881 1 96 THR H 1 98 PHE H . . 5.500 3.930 3.592 4.088 . 0 0 "[ . 1 . 2]" 1
1882 1 96 THR HA 1 96 THR MG . . 3.080 2.404 2.262 2.669 . 0 0 "[ . 1 . 2]" 1
1883 1 96 THR HA 1 98 PHE H . . 4.800 4.333 3.954 4.616 . 0 0 "[ . 1 . 2]" 1
1884 1 96 THR HB 1 97 THR H . . 3.610 2.755 2.333 3.367 . 0 0 "[ . 1 . 2]" 1
1885 1 96 THR HB 1 97 THR MG . . 4.680 3.009 2.258 3.651 . 0 0 "[ . 1 . 2]" 1
1886 1 96 THR MG 1 97 THR H . . 4.400 3.672 3.198 4.022 . 0 0 "[ . 1 . 2]" 1
1887 1 96 THR MG 1 97 THR HA . . 4.090 3.799 3.301 4.169 0.079 5 0 "[ . 1 . 2]" 1
1888 1 97 THR H 1 97 THR MG . . 3.630 2.753 2.517 3.187 . 0 0 "[ . 1 . 2]" 1
1889 1 97 THR H 1 98 PHE H . . 3.130 2.294 1.959 2.534 . 0 0 "[ . 1 . 2]" 1
1890 1 97 THR H 1 98 PHE HA . . 4.910 4.809 4.594 4.981 0.071 17 0 "[ . 1 . 2]" 1
1891 1 97 THR H 1 98 PHE HB3 . . 5.360 4.040 3.830 4.275 . 0 0 "[ . 1 . 2]" 1
1892 1 97 THR H 1 98 PHE QD . . 5.500 5.556 5.401 5.592 0.092 19 0 "[ . 1 . 2]" 1
1893 1 97 THR H 1 99 LYS H . . 5.470 4.702 4.308 5.080 . 0 0 "[ . 1 . 2]" 1
1894 1 97 THR H 1 100 PRO HD2 . . 4.770 4.387 4.149 4.644 . 0 0 "[ . 1 . 2]" 1
1895 1 97 THR HA 1 97 THR MG . . 3.290 2.314 2.193 2.502 . 0 0 "[ . 1 . 2]" 1
1896 1 97 THR HA 1 99 LYS H . . 4.620 4.530 4.229 4.682 0.062 10 0 "[ . 1 . 2]" 1
1897 1 97 THR HA 1 99 LYS HB2 . . 5.450 5.103 4.651 5.530 0.080 14 0 "[ . 1 . 2]" 1
1898 1 97 THR HA 1 100 PRO HB3 . . 4.850 4.886 4.731 4.930 0.080 4 0 "[ . 1 . 2]" 1
1899 1 97 THR HA 1 100 PRO HD2 . . 3.610 2.676 2.342 2.884 . 0 0 "[ . 1 . 2]" 1
1900 1 97 THR HA 1 100 PRO HG3 . . 3.570 2.716 2.550 2.937 . 0 0 "[ . 1 . 2]" 1
1901 1 97 THR HA 1 101 ASN H . . 4.160 4.145 3.959 4.245 0.085 13 0 "[ . 1 . 2]" 1
1902 1 97 THR HB 1 101 ASN H . . 5.000 4.681 4.360 5.002 0.002 6 0 "[ . 1 . 2]" 1
1903 1 97 THR HB 1 101 ASN HD21 . . 4.920 2.748 2.170 3.708 . 0 0 "[ . 1 . 2]" 1
1904 1 97 THR HB 1 101 ASN HD22 . . 4.810 3.136 2.619 3.731 . 0 0 "[ . 1 . 2]" 1
1905 1 97 THR MG 1 98 PHE H . . 5.170 4.295 4.199 4.380 . 0 0 "[ . 1 . 2]" 1
1906 1 97 THR MG 1 100 PRO HB2 . . 5.500 5.303 4.837 5.583 0.083 7 0 "[ . 1 . 2]" 1
1907 1 97 THR MG 1 100 PRO HG2 . . 5.500 3.741 3.248 3.990 . 0 0 "[ . 1 . 2]" 1
1908 1 97 THR MG 1 100 PRO HG3 . . 5.500 3.866 3.268 4.299 . 0 0 "[ . 1 . 2]" 1
1909 1 97 THR MG 1 101 ASN H . . 5.500 5.412 5.190 5.577 0.077 13 0 "[ . 1 . 2]" 1
1910 1 97 THR MG 1 101 ASN HD22 . . 5.500 4.398 3.683 4.937 . 0 0 "[ . 1 . 2]" 1
1911 1 98 PHE H 1 98 PHE HB2 . . 3.500 2.961 2.626 3.154 . 0 0 "[ . 1 . 2]" 1
1912 1 98 PHE H 1 98 PHE HB3 . . 3.200 2.060 1.989 2.175 . 0 0 "[ . 1 . 2]" 1
1913 1 98 PHE H 1 99 LYS H . . 3.690 2.801 2.605 3.012 . 0 0 "[ . 1 . 2]" 1
1914 1 98 PHE H 1 99 LYS HB2 . . 5.170 4.634 4.311 5.032 . 0 0 "[ . 1 . 2]" 1
1915 1 98 PHE H 1 100 PRO HD2 . . 3.230 3.308 3.225 3.317 0.087 11 0 "[ . 1 . 2]" 1
1916 1 98 PHE H 1 100 PRO HD3 . . 5.500 4.874 4.770 4.961 . 0 0 "[ . 1 . 2]" 1
1917 1 98 PHE HA 1 98 PHE QD . . 3.590 3.000 2.604 3.298 . 0 0 "[ . 1 . 2]" 1
1918 1 98 PHE HA 1 98 PHE QE . . 5.250 5.108 4.884 5.281 0.031 17 0 "[ . 1 . 2]" 1
1919 1 98 PHE HA 1 101 ASN H . . 4.400 3.552 3.402 3.693 . 0 0 "[ . 1 . 2]" 1
1920 1 98 PHE HA 1 101 ASN HB3 . . 4.850 3.842 3.021 4.376 . 0 0 "[ . 1 . 2]" 1
1921 1 98 PHE HB2 1 99 LYS H . . 4.070 3.899 3.597 4.095 0.025 9 0 "[ . 1 . 2]" 1
1922 1 98 PHE HB3 1 99 LYS H . . 3.420 2.676 2.154 2.893 . 0 0 "[ . 1 . 2]" 1
1923 1 98 PHE HB3 1 99 LYS HB2 . . 5.460 4.819 4.260 5.064 . 0 0 "[ . 1 . 2]" 1
1924 1 98 PHE HB3 1 99 LYS QG . . 5.280 4.242 3.722 4.758 . 0 0 "[ . 1 . 2]" 1
1925 1 98 PHE QD 1 99 LYS H . . 3.880 2.688 2.425 3.034 . 0 0 "[ . 1 . 2]" 1
1926 1 98 PHE QD 1 99 LYS HA . . 3.840 3.784 2.774 3.925 0.085 13 0 "[ . 1 . 2]" 1
1927 1 98 PHE QD 1 99 LYS HB2 . . 4.790 4.127 3.836 4.416 . 0 0 "[ . 1 . 2]" 1
1928 1 98 PHE QD 1 99 LYS HB3 . . 5.180 5.099 4.434 5.265 0.085 13 0 "[ . 1 . 2]" 1
1929 1 98 PHE QD 1 99 LYS QG . . 3.560 2.670 2.243 3.083 . 0 0 "[ . 1 . 2]" 1
1930 1 98 PHE QD 1 102 THR H . . 5.030 4.754 4.211 5.116 0.086 20 0 "[ . 1 . 2]" 1
1931 1 98 PHE QD 1 102 THR MG . . 4.200 3.231 2.555 4.306 0.106 11 0 "[ . 1 . 2]" 1
1932 1 98 PHE QE 1 99 LYS H . . 4.670 4.383 3.971 4.739 0.069 20 0 "[ . 1 . 2]" 1
1933 1 98 PHE QE 1 99 LYS HA . . 4.340 4.087 3.793 4.409 0.069 5 0 "[ . 1 . 2]" 1
1934 1 98 PHE QE 1 99 LYS QG . . 3.970 2.799 2.272 3.361 . 0 0 "[ . 1 . 2]" 1
1935 1 99 LYS H 1 99 LYS HB2 . . 3.100 2.289 2.163 2.392 . 0 0 "[ . 1 . 2]" 1
1936 1 99 LYS H 1 99 LYS HB3 . . 3.690 3.560 3.499 3.614 . 0 0 "[ . 1 . 2]" 1
1937 1 99 LYS H 1 99 LYS QG . . 4.040 2.672 2.522 2.908 . 0 0 "[ . 1 . 2]" 1
1938 1 99 LYS H 1 100 PRO HD2 . . 3.320 2.518 2.336 2.634 . 0 0 "[ . 1 . 2]" 1
1939 1 99 LYS H 1 100 PRO HD3 . . 3.670 3.507 3.271 3.709 0.039 5 0 "[ . 1 . 2]" 1
1940 1 99 LYS H 1 100 PRO HG2 . . 4.980 4.781 4.607 4.912 . 0 0 "[ . 1 . 2]" 1
1941 1 99 LYS H 1 100 PRO HG3 . . 5.180 5.158 4.955 5.246 0.066 8 0 "[ . 1 . 2]" 1
1942 1 99 LYS H 1 101 ASN H . . 5.040 4.180 3.982 4.370 . 0 0 "[ . 1 . 2]" 1
1943 1 99 LYS H 1 102 THR H . . 5.500 4.995 4.782 5.266 . 0 0 "[ . 1 . 2]" 1
1944 1 99 LYS H 1 102 THR MG . . 5.500 4.257 3.851 5.254 . 0 0 "[ . 1 . 2]" 1
1945 1 99 LYS HA 1 99 LYS QG . . 3.620 2.269 2.071 2.753 . 0 0 "[ . 1 . 2]" 1
1946 1 99 LYS HA 1 102 THR H . . 3.940 3.672 3.325 4.002 0.062 12 0 "[ . 1 . 2]" 1
1947 1 99 LYS HA 1 102 THR MG . . 3.970 2.420 2.070 3.029 . 0 0 "[ . 1 . 2]" 1
1948 1 99 LYS HB2 1 100 PRO HD2 . . 3.510 2.773 2.535 2.951 . 0 0 "[ . 1 . 2]" 1
1949 1 99 LYS HB2 1 100 PRO HD3 . . 3.020 2.352 2.226 2.633 . 0 0 "[ . 1 . 2]" 1
1950 1 99 LYS HB2 1 101 ASN H . . 4.940 5.017 4.998 5.029 0.089 13 0 "[ . 1 . 2]" 1
1951 1 99 LYS HB3 1 99 LYS QD . . 2.490 2.312 2.171 2.476 . 0 0 "[ . 1 . 2]" 1
1952 1 99 LYS HB3 1 100 PRO HD3 . . 4.990 2.998 2.567 3.274 . 0 0 "[ . 1 . 2]" 1
1953 1 99 LYS HB3 1 102 THR MG . . 5.100 4.505 4.192 5.155 0.055 9 0 "[ . 1 . 2]" 1
1954 1 99 LYS HB3 1 103 TRP HE1 . . 4.950 4.684 4.115 5.010 0.060 2 0 "[ . 1 . 2]" 1
1955 1 99 LYS QD 1 103 TRP HE1 . . 5.500 5.016 4.243 5.390 . 0 0 "[ . 1 . 2]" 1
1956 1 99 LYS QG 1 102 THR MG . . 5.500 3.898 3.357 4.693 . 0 0 "[ . 1 . 2]" 1
1957 1 100 PRO HA 1 103 TRP HB2 . . 5.050 3.488 2.842 3.653 . 0 0 "[ . 1 . 2]" 1
1958 1 100 PRO HA 1 103 TRP HB3 . . 5.000 5.026 4.485 5.086 0.086 1 0 "[ . 1 . 2]" 1
1959 1 100 PRO HA 1 103 TRP HD1 . . 4.610 2.229 2.071 2.571 . 0 0 "[ . 1 . 2]" 1
1960 1 100 PRO HB2 1 101 ASN H . . 3.980 3.671 3.440 3.988 0.008 10 0 "[ . 1 . 2]" 1
1961 1 100 PRO HD2 1 101 ASN H . . 4.080 2.911 2.726 3.129 . 0 0 "[ . 1 . 2]" 1
1962 1 100 PRO HD2 1 102 THR H . . 5.500 4.853 4.639 5.208 . 0 0 "[ . 1 . 2]" 1
1963 1 100 PRO HD3 1 101 ASN H . . 5.030 4.066 3.898 4.203 . 0 0 "[ . 1 . 2]" 1
1964 1 100 PRO HG2 1 101 ASN H . . 4.890 2.669 2.343 3.009 . 0 0 "[ . 1 . 2]" 1
1965 1 100 PRO HG3 1 101 ASN H . . 4.920 4.200 3.950 4.481 . 0 0 "[ . 1 . 2]" 1
1966 1 101 ASN H 1 101 ASN HB2 . . 3.600 2.142 2.095 2.183 . 0 0 "[ . 1 . 2]" 1
1967 1 101 ASN H 1 101 ASN HB3 . . 3.280 3.365 3.308 3.383 0.103 13 0 "[ . 1 . 2]" 1
1968 1 101 ASN H 1 101 ASN HD21 . . 4.710 3.313 2.516 4.403 . 0 0 "[ . 1 . 2]" 1
1969 1 101 ASN H 1 102 THR MG . . 5.500 3.969 3.692 4.896 . 0 0 "[ . 1 . 2]" 1
1970 1 101 ASN H 1 103 TRP H . . 4.870 4.385 4.094 4.570 . 0 0 "[ . 1 . 2]" 1
1971 1 101 ASN HA 1 101 ASN HD22 . . 4.220 4.097 3.779 4.317 0.097 8 0 "[ . 1 . 2]" 1
1972 1 101 ASN HA 1 103 TRP H . . 5.170 4.038 3.676 4.345 . 0 0 "[ . 1 . 2]" 1
1973 1 101 ASN HA 1 104 CYS H . . 3.630 3.192 2.719 3.681 0.051 13 0 "[ . 1 . 2]" 1
1974 1 101 ASN HA 1 104 CYS HA . . 5.360 5.280 4.695 5.440 0.080 1 0 "[ . 1 . 2]" 1
1975 1 101 ASN HA 1 104 CYS QB . . 3.280 2.803 1.939 3.084 . 0 0 "[ . 1 . 2]" 1
1976 1 101 ASN HA 1 105 LEU H . . 5.280 4.450 4.009 5.029 . 0 0 "[ . 1 . 2]" 1
1977 1 101 ASN HA 1 105 LEU QD . . 5.390 4.593 3.584 4.904 . 0 0 "[ . 1 . 2]" 1
1978 1 101 ASN HB2 1 102 THR H . . 4.940 3.210 2.915 3.385 . 0 0 "[ . 1 . 2]" 1
1979 1 101 ASN HB3 1 102 THR H . . 4.440 3.388 2.689 3.783 . 0 0 "[ . 1 . 2]" 1
1980 1 101 ASN HB3 1 105 LEU QD . . 5.210 3.344 2.604 3.800 . 0 0 "[ . 1 . 2]" 1
1981 1 102 THR H 1 102 THR HB . . 3.600 3.512 1.930 3.666 0.066 13 0 "[ . 1 . 2]" 1
1982 1 102 THR H 1 102 THR MG . . 3.470 2.047 1.888 3.073 . 0 0 "[ . 1 . 2]" 1
1983 1 102 THR H 1 103 TRP H . . 3.500 2.829 2.733 2.939 . 0 0 "[ . 1 . 2]" 1
1984 1 102 THR H 1 103 TRP HD1 . . 4.680 4.173 3.822 4.523 . 0 0 "[ . 1 . 2]" 1
1985 1 102 THR H 1 105 LEU QD . . 5.500 4.089 3.549 4.428 . 0 0 "[ . 1 . 2]" 1
1986 1 102 THR HA 1 102 THR MG . . 2.870 2.677 2.513 2.994 0.124 11 0 "[ . 1 . 2]" 1
1987 1 102 THR HA 1 103 TRP H . . 3.600 3.506 3.452 3.568 . 0 0 "[ . 1 . 2]" 1
1988 1 102 THR HA 1 105 LEU QD . . 3.960 2.176 1.997 2.433 . 0 0 "[ . 1 . 2]" 1
1989 1 102 THR HB 1 103 TRP H . . 4.440 4.091 3.692 4.503 0.063 9 0 "[ . 1 . 2]" 1
1990 1 102 THR HB 1 105 LEU H . . 5.000 5.035 4.723 5.087 0.087 13 0 "[ . 1 . 2]" 1
1991 1 102 THR HB 1 105 LEU HB2 . . 4.550 4.063 3.457 4.630 0.080 11 0 "[ . 1 . 2]" 1
1992 1 102 THR HB 1 105 LEU QD . . 3.660 3.506 2.844 3.728 0.068 19 0 "[ . 1 . 2]" 1
1993 1 102 THR MG 1 103 TRP H . . 3.700 3.713 3.004 3.807 0.107 15 0 "[ . 1 . 2]" 1
1994 1 102 THR MG 1 103 TRP HD1 . . 4.430 4.338 3.262 4.519 0.089 4 0 "[ . 1 . 2]" 1
1995 1 102 THR MG 1 103 TRP HE1 . . 5.500 5.371 4.210 5.617 0.117 19 0 "[ . 1 . 2]" 1
1996 1 103 TRP H 1 103 TRP HB2 . . 3.350 2.393 2.287 2.539 . 0 0 "[ . 1 . 2]" 1
1997 1 103 TRP H 1 103 TRP HB3 . . 3.760 3.550 3.488 3.628 . 0 0 "[ . 1 . 2]" 1
1998 1 103 TRP H 1 103 TRP HE1 . . 5.500 4.867 4.508 5.122 . 0 0 "[ . 1 . 2]" 1
1999 1 103 TRP H 1 104 CYS H . . 3.450 2.680 2.478 2.986 . 0 0 "[ . 1 . 2]" 1
2000 1 103 TRP H 1 105 LEU H . . 5.220 4.068 3.763 4.450 . 0 0 "[ . 1 . 2]" 1
2001 1 103 TRP H 1 106 ARG H . . 4.610 4.679 4.584 4.706 0.096 14 0 "[ . 1 . 2]" 1
2002 1 103 TRP HA 1 106 ARG H . . 3.760 3.253 3.038 3.446 . 0 0 "[ . 1 . 2]" 1
2003 1 103 TRP HA 1 106 ARG HB2 . . 3.640 2.522 2.146 2.718 . 0 0 "[ . 1 . 2]" 1
2004 1 103 TRP HA 1 106 ARG HB3 . . 4.260 4.157 3.750 4.322 0.062 10 0 "[ . 1 . 2]" 1
2005 1 103 TRP HA 1 106 ARG HD2 . . 4.250 3.292 2.598 3.836 . 0 0 "[ . 1 . 2]" 1
2006 1 103 TRP HA 1 106 ARG HD3 . . 3.920 3.831 3.331 4.341 0.421 16 0 "[ . 1 . 2]" 1
2007 1 103 TRP HA 1 106 ARG HG2 . . 5.390 4.693 4.280 5.176 . 0 0 "[ . 1 . 2]" 1
2008 1 103 TRP HA 1 106 ARG HG3 . . 4.960 3.345 2.675 3.916 . 0 0 "[ . 1 . 2]" 1
2009 1 103 TRP HB2 1 103 TRP HD1 . . 3.570 2.688 2.579 2.778 . 0 0 "[ . 1 . 2]" 1
2010 1 103 TRP HB2 1 104 CYS H . . 4.580 3.079 2.339 3.844 . 0 0 "[ . 1 . 2]" 1
2011 1 103 TRP HB3 1 103 TRP HE3 . . 3.400 2.608 2.466 2.741 . 0 0 "[ . 1 . 2]" 1
2012 1 103 TRP HB3 1 104 CYS H . . 4.400 3.882 3.305 4.449 0.049 7 0 "[ . 1 . 2]" 1
2013 1 103 TRP HD1 1 104 CYS H . . 5.140 4.878 4.398 5.217 0.077 13 0 "[ . 1 . 2]" 1
2014 1 104 CYS H 1 104 CYS QB . . 3.440 2.308 2.102 2.587 . 0 0 "[ . 1 . 2]" 1
2015 1 104 CYS H 1 105 LEU H . . 3.640 2.420 1.737 2.997 . 0 0 "[ . 1 . 2]" 1
2016 1 104 CYS H 1 105 LEU HG . . 5.190 4.457 3.898 5.297 0.107 13 0 "[ . 1 . 2]" 1
2017 1 104 CYS H 1 106 ARG H . . 4.660 3.894 3.195 4.280 . 0 0 "[ . 1 . 2]" 1
2018 1 104 CYS HA 1 106 ARG H . . 5.100 4.358 3.643 4.575 . 0 0 "[ . 1 . 2]" 1
2019 1 104 CYS HA 1 107 CYS H . . 4.060 3.326 2.843 3.752 . 0 0 "[ . 1 . 2]" 1
2020 1 104 CYS HA 1 107 CYS HB2 . . 3.930 3.060 2.323 4.302 0.372 17 0 "[ . 1 . 2]" 1
2021 1 104 CYS HA 1 107 CYS HB3 . . 4.230 3.501 2.626 4.310 0.080 14 0 "[ . 1 . 2]" 1
2022 1 104 CYS QB 1 105 LEU H . . 4.060 2.750 2.382 2.937 . 0 0 "[ . 1 . 2]" 1
2023 1 104 CYS QB 1 105 LEU QD . . 5.500 3.609 2.224 4.159 . 0 0 "[ . 1 . 2]" 1
2024 1 104 CYS QB 1 105 LEU HG . . 5.500 3.742 3.137 5.379 . 0 0 "[ . 1 . 2]" 1
2025 1 104 CYS QB 1 106 ARG H . . 5.380 4.799 4.418 4.975 . 0 0 "[ . 1 . 2]" 1
2026 1 105 LEU H 1 105 LEU HB2 . . 3.230 2.453 2.161 2.630 . 0 0 "[ . 1 . 2]" 1
2027 1 105 LEU H 1 105 LEU HB3 . . 4.030 3.589 3.362 3.673 . 0 0 "[ . 1 . 2]" 1
2028 1 105 LEU H 1 105 LEU QD . . 4.070 2.978 1.982 3.225 . 0 0 "[ . 1 . 2]" 1
2029 1 105 LEU H 1 105 LEU HG . . 3.670 2.521 2.065 3.759 0.089 9 0 "[ . 1 . 2]" 1
2030 1 105 LEU H 1 106 ARG H . . 3.460 2.611 2.457 2.750 . 0 0 "[ . 1 . 2]" 1
2031 1 105 LEU H 1 106 ARG HG3 . . 4.420 4.491 4.364 4.506 0.086 14 0 "[ . 1 . 2]" 1
2032 1 105 LEU H 1 107 CYS H . . 5.120 4.026 3.793 4.187 . 0 0 "[ . 1 . 2]" 1
2033 1 105 LEU HA 1 105 LEU QD . . 3.030 2.172 2.097 2.344 . 0 0 "[ . 1 . 2]" 1
2034 1 105 LEU HA 1 105 LEU HG . . 4.180 3.077 2.823 3.659 . 0 0 "[ . 1 . 2]" 1
2035 1 105 LEU HA 1 106 ARG HA . . 5.130 4.778 4.417 4.879 . 0 0 "[ . 1 . 2]" 1
2036 1 105 LEU HA 1 108 LEU H . . 4.090 3.238 3.044 3.476 . 0 0 "[ . 1 . 2]" 1
2037 1 105 LEU HA 1 108 LEU HB2 . . 5.020 2.810 2.510 3.430 . 0 0 "[ . 1 . 2]" 1
2038 1 105 LEU HA 1 108 LEU HB3 . . 4.260 4.412 4.189 4.902 0.642 8 3 "[ . + 1 * -. 2]" 1
2039 1 105 LEU HA 1 108 LEU QD . . 3.490 2.410 2.001 2.879 . 0 0 "[ . 1 . 2]" 1
2040 1 105 LEU HA 1 108 LEU HG . . 3.280 3.253 2.531 3.365 0.085 14 0 "[ . 1 . 2]" 1
2041 1 105 LEU HB2 1 106 ARG H . . 3.890 2.733 2.418 3.608 . 0 0 "[ . 1 . 2]" 1
2042 1 105 LEU HB2 1 106 ARG HG3 . . 5.060 3.633 3.210 4.072 . 0 0 "[ . 1 . 2]" 1
2043 1 105 LEU HB3 1 105 LEU QD . . 3.220 2.221 2.108 2.645 . 0 0 "[ . 1 . 2]" 1
2044 1 105 LEU HB3 1 106 ARG H . . 5.300 3.737 3.445 4.345 . 0 0 "[ . 1 . 2]" 1
2045 1 105 LEU HB3 1 109 TRP HE1 . . 5.380 2.838 2.284 3.772 . 0 0 "[ . 1 . 2]" 1
2046 1 105 LEU QD 1 106 ARG H . . 5.270 4.111 3.680 4.517 . 0 0 "[ . 1 . 2]" 1
2047 1 106 ARG H 1 106 ARG HB2 . . 3.360 2.466 2.291 2.706 . 0 0 "[ . 1 . 2]" 1
2048 1 106 ARG H 1 106 ARG HB3 . . 3.790 3.624 3.544 3.743 . 0 0 "[ . 1 . 2]" 1
2049 1 106 ARG H 1 106 ARG HG2 . . 4.460 3.464 3.111 3.902 . 0 0 "[ . 1 . 2]" 1
2050 1 106 ARG H 1 106 ARG HG3 . . 3.710 2.362 2.213 2.821 . 0 0 "[ . 1 . 2]" 1
2051 1 106 ARG H 1 107 CYS H . . 3.500 2.803 2.162 2.962 . 0 0 "[ . 1 . 2]" 1
2052 1 106 ARG H 1 108 LEU H . . 5.250 4.210 3.821 4.481 . 0 0 "[ . 1 . 2]" 1
2053 1 106 ARG H 1 109 TRP HE1 . . 5.500 4.991 4.705 5.586 0.086 19 0 "[ . 1 . 2]" 1
2054 1 106 ARG HA 1 106 ARG HG2 . . 3.440 2.356 2.243 2.563 . 0 0 "[ . 1 . 2]" 1
2055 1 106 ARG HA 1 106 ARG HG3 . . 3.490 3.003 2.716 3.330 . 0 0 "[ . 1 . 2]" 1
2056 1 106 ARG HA 1 108 LEU H . . 4.540 4.104 3.791 4.331 . 0 0 "[ . 1 . 2]" 1
2057 1 106 ARG HA 1 109 TRP H . . 4.370 3.318 3.112 3.920 . 0 0 "[ . 1 . 2]" 1
2058 1 106 ARG HA 1 109 TRP HD1 . . 4.090 3.944 3.688 4.177 0.087 19 0 "[ . 1 . 2]" 1
2059 1 106 ARG HA 1 109 TRP HE1 . . 4.090 4.093 3.764 4.172 0.082 4 0 "[ . 1 . 2]" 1
2060 1 106 ARG HA 1 109 TRP HE3 . . 3.270 3.302 3.096 3.348 0.078 3 0 "[ . 1 . 2]" 1
2061 1 106 ARG HA 1 109 TRP HZ2 . . 4.530 4.478 4.012 4.612 0.082 18 0 "[ . 1 . 2]" 1
2062 1 106 ARG HB2 1 106 ARG HD2 . . 3.980 3.068 2.541 3.452 . 0 0 "[ . 1 . 2]" 1
2063 1 106 ARG HB2 1 106 ARG HD3 . . 4.000 2.786 2.431 3.839 . 0 0 "[ . 1 . 2]" 1
2064 1 106 ARG HB2 1 107 CYS H . . 4.290 3.295 2.932 3.443 . 0 0 "[ . 1 . 2]" 1
2065 1 106 ARG HB2 1 108 LEU H . . 5.370 5.287 5.010 5.443 0.073 14 0 "[ . 1 . 2]" 1
2066 1 106 ARG HB2 1 109 TRP HE3 . . 5.500 5.416 5.048 5.558 0.058 20 0 "[ . 1 . 2]" 1
2067 1 106 ARG HB3 1 106 ARG HD2 . . 4.010 3.405 2.291 3.702 . 0 0 "[ . 1 . 2]" 1
2068 1 106 ARG HB3 1 106 ARG HD3 . . 4.040 2.475 2.276 3.417 . 0 0 "[ . 1 . 2]" 1
2069 1 106 ARG HB3 1 107 CYS H . . 4.530 4.053 3.836 4.239 . 0 0 "[ . 1 . 2]" 1
2070 1 106 ARG HB3 1 109 TRP HE3 . . 4.170 3.900 3.391 4.113 . 0 0 "[ . 1 . 2]" 1
2071 1 106 ARG HD2 1 109 TRP HH2 . . 4.570 4.552 4.029 4.709 0.139 19 0 "[ . 1 . 2]" 1
2072 1 106 ARG HD2 1 109 TRP HZ3 . . 5.500 4.896 4.082 5.267 . 0 0 "[ . 1 . 2]" 1
2073 1 106 ARG HD3 1 109 TRP HE3 . . 5.170 5.150 4.820 5.453 0.283 19 0 "[ . 1 . 2]" 1
2074 1 106 ARG HD3 1 109 TRP HH2 . . 4.880 4.715 3.224 4.963 0.083 3 0 "[ . 1 . 2]" 1
2075 1 106 ARG HD3 1 109 TRP HZ3 . . 4.760 4.318 3.563 4.763 0.003 7 0 "[ . 1 . 2]" 1
2076 1 106 ARG HG2 1 109 TRP HE1 . . 5.410 4.784 4.574 5.159 . 0 0 "[ . 1 . 2]" 1
2077 1 106 ARG HG2 1 109 TRP HH2 . . 4.500 3.141 2.863 3.349 . 0 0 "[ . 1 . 2]" 1
2078 1 106 ARG HG2 1 109 TRP HZ2 . . 3.950 3.600 3.297 4.010 0.060 9 0 "[ . 1 . 2]" 1
2079 1 106 ARG HG3 1 107 CYS H . . 5.260 4.728 4.556 4.869 . 0 0 "[ . 1 . 2]" 1
2080 1 106 ARG HG3 1 109 TRP HE1 . . 5.490 5.061 4.572 5.559 0.069 10 0 "[ . 1 . 2]" 1
2081 1 106 ARG HG3 1 109 TRP HH2 . . 4.850 4.121 3.631 4.531 . 0 0 "[ . 1 . 2]" 1
2082 1 106 ARG HG3 1 109 TRP HZ2 . . 4.430 4.024 3.417 4.494 0.064 2 0 "[ . 1 . 2]" 1
2083 1 106 ARG HG3 1 109 TRP HZ3 . . 5.240 4.745 4.198 5.045 . 0 0 "[ . 1 . 2]" 1
2084 1 107 CYS H 1 107 CYS HB2 . . 3.850 2.468 2.191 3.565 . 0 0 "[ . 1 . 2]" 1
2085 1 107 CYS H 1 107 CYS HB3 . . 3.490 2.879 2.386 3.531 0.041 20 0 "[ . 1 . 2]" 1
2086 1 107 CYS H 1 108 LEU H . . 3.450 2.309 2.098 2.620 . 0 0 "[ . 1 . 2]" 1
2087 1 107 CYS H 1 108 LEU HA . . 5.340 5.008 4.898 5.263 . 0 0 "[ . 1 . 2]" 1
2088 1 107 CYS H 1 108 LEU HG . . 5.440 4.214 3.674 5.508 0.068 8 0 "[ . 1 . 2]" 1
2089 1 107 CYS H 1 109 TRP H . . 4.320 3.813 3.587 4.146 . 0 0 "[ . 1 . 2]" 1
2090 1 107 CYS HA 1 109 TRP H . . 4.470 4.033 3.489 4.325 . 0 0 "[ . 1 . 2]" 1
2091 1 107 CYS HB2 1 108 LEU H . . 4.700 3.745 3.029 4.393 . 0 0 "[ . 1 . 2]" 1
2092 1 107 CYS HB2 1 108 LEU QD . . 5.500 4.559 3.104 5.306 . 0 0 "[ . 1 . 2]" 1
2093 1 107 CYS HB3 1 108 LEU H . . 4.420 3.243 2.739 4.131 . 0 0 "[ . 1 . 2]" 1
2094 1 107 CYS HB3 1 108 LEU QD . . 5.500 3.661 2.330 4.967 . 0 0 "[ . 1 . 2]" 1
2095 1 108 LEU H 1 108 LEU HB2 . . 3.800 2.422 2.271 2.589 . 0 0 "[ . 1 . 2]" 1
2096 1 108 LEU H 1 108 LEU QD . . 3.630 3.018 1.897 3.366 . 0 0 "[ . 1 . 2]" 1
2097 1 108 LEU H 1 108 LEU HG . . 3.470 2.646 2.216 3.566 0.096 14 0 "[ . 1 . 2]" 1
2098 1 108 LEU HA 1 108 LEU QD . . 2.920 2.174 2.081 2.322 . 0 0 "[ . 1 . 2]" 1
2099 1 108 LEU HA 1 108 LEU HG . . 3.780 3.260 3.054 3.846 0.066 8 0 "[ . 1 . 2]" 1
2100 1 108 LEU HB2 1 109 TRP H . . 4.970 3.143 2.660 3.500 . 0 0 "[ . 1 . 2]" 1
2101 1 108 LEU HB2 1 109 TRP HA . . 5.050 4.461 3.976 4.814 . 0 0 "[ . 1 . 2]" 1
2102 1 108 LEU HB2 1 109 TRP HD1 . . 4.750 3.495 2.797 3.854 . 0 0 "[ . 1 . 2]" 1
2103 1 108 LEU HB3 1 108 LEU QD . . 3.150 2.161 2.093 2.277 . 0 0 "[ . 1 . 2]" 1
2104 1 108 LEU HB3 1 109 TRP H . . 4.500 4.043 3.650 4.315 . 0 0 "[ . 1 . 2]" 1
2105 1 108 LEU QD 1 109 TRP H . . 5.050 4.292 3.739 4.494 . 0 0 "[ . 1 . 2]" 1
2106 1 108 LEU HG 1 109 TRP H . . 5.500 4.678 4.402 5.169 . 0 0 "[ . 1 . 2]" 1
2107 1 109 TRP H 1 109 TRP HB2 . . 3.360 2.309 2.161 2.473 . 0 0 "[ . 1 . 2]" 1
2108 1 109 TRP H 1 109 TRP HB3 . . 3.810 3.458 3.386 3.546 . 0 0 "[ . 1 . 2]" 1
2109 1 109 TRP H 1 109 TRP HE1 . . 5.420 4.875 4.570 5.468 0.048 19 0 "[ . 1 . 2]" 1
2110 1 109 TRP H 1 110 SER H . . 4.560 4.591 4.440 4.628 0.068 15 0 "[ . 1 . 2]" 1
2111 1 109 TRP HA 1 109 TRP HD1 . . 3.320 2.481 2.252 2.593 . 0 0 "[ . 1 . 2]" 1
2112 1 109 TRP HA 1 109 TRP HE1 . . 5.500 4.849 4.688 4.972 . 0 0 "[ . 1 . 2]" 1
2113 1 109 TRP HA 1 110 SER H . . 3.060 2.313 2.098 2.530 . 0 0 "[ . 1 . 2]" 1
2114 1 109 TRP HB2 1 110 SER H . . 4.290 3.954 3.486 4.371 0.081 8 0 "[ . 1 . 2]" 1
2115 1 109 TRP HB3 1 109 TRP HE3 . . 4.070 2.929 2.798 3.161 . 0 0 "[ . 1 . 2]" 1
2116 1 109 TRP HB3 1 110 SER H . . 3.730 2.814 2.268 3.587 . 0 0 "[ . 1 . 2]" 1
2117 1 109 TRP HD1 1 110 SER H . . 4.870 4.640 4.261 4.847 . 0 0 "[ . 1 . 2]" 1
2118 1 110 SER H 1 110 SER HB2 . . 3.480 2.546 2.326 2.895 . 0 0 "[ . 1 . 2]" 1
2119 1 110 SER H 1 110 SER HB3 . . 3.620 3.131 2.372 3.703 0.083 1 0 "[ . 1 . 2]" 1
2120 1 111 THR H 1 111 THR HB . . 3.860 3.624 3.452 3.934 0.074 9 0 "[ . 1 . 2]" 1
2121 1 111 THR HA 1 111 THR HB . . 2.950 2.504 2.302 2.630 . 0 0 "[ . 1 . 2]" 1
2122 1 111 THR HA 1 111 THR MG . . 3.100 2.303 2.136 2.590 . 0 0 "[ . 1 . 2]" 1
2123 1 111 THR HA 1 112 LYS H . . 2.880 2.410 2.192 2.964 0.084 2 0 "[ . 1 . 2]" 1
2124 1 111 THR MG 1 112 LYS H . . 4.670 3.941 3.571 4.308 . 0 0 "[ . 1 . 2]" 1
2125 1 112 LYS H 1 112 LYS HB2 . . 3.440 2.866 2.242 3.348 . 0 0 "[ . 1 . 2]" 1
2126 1 112 LYS H 1 112 LYS HB3 . . 3.470 3.209 2.446 3.560 0.090 8 0 "[ . 1 . 2]" 1
2127 1 112 LYS H 1 112 LYS QD . . 4.810 4.645 4.179 4.917 0.107 13 0 "[ . 1 . 2]" 1
2128 1 112 LYS H 1 112 LYS QG . . 4.060 3.928 2.981 4.177 0.117 6 0 "[ . 1 . 2]" 1
2129 1 112 LYS H 1 113 PRO HD2 . . 5.010 4.367 3.913 4.743 . 0 0 "[ . 1 . 2]" 1
2130 1 112 LYS H 1 113 PRO HD3 . . 5.160 3.811 3.398 4.028 . 0 0 "[ . 1 . 2]" 1
2131 1 112 LYS H 1 113 PRO QG . . 5.380 5.442 5.239 5.489 0.109 17 0 "[ . 1 . 2]" 1
2132 1 112 LYS HA 1 112 LYS QD . . 4.120 2.689 2.095 3.947 . 0 0 "[ . 1 . 2]" 1
2133 1 112 LYS HA 1 112 LYS QG . . 3.550 2.591 2.171 3.216 . 0 0 "[ . 1 . 2]" 1
2134 1 112 LYS HA 1 113 PRO HD2 . . 2.820 2.083 1.955 2.307 . 0 0 "[ . 1 . 2]" 1
2135 1 112 LYS HA 1 113 PRO HD3 . . 2.780 2.473 2.115 2.698 . 0 0 "[ . 1 . 2]" 1
2136 1 112 LYS HB2 1 113 PRO HD3 . . 5.080 4.891 4.369 5.140 0.060 9 0 "[ . 1 . 2]" 1
2137 1 112 LYS HB3 1 113 PRO HD2 . . 4.120 4.396 4.084 4.908 0.788 5 7 "[* +* * -* * 2]" 1
2138 1 112 LYS QD 1 112 LYS QG . . 2.420 2.069 1.954 2.134 . 0 0 "[ . 1 . 2]" 1
2139 1 112 LYS QD 1 113 PRO HD2 . . 5.040 2.810 2.145 3.952 . 0 0 "[ . 1 . 2]" 1
2140 1 112 LYS QD 1 113 PRO QG . . 4.290 4.045 2.788 4.406 0.116 2 0 "[ . 1 . 2]" 1
2141 1 112 LYS QG 1 113 PRO HD2 . . 4.040 3.400 2.001 4.139 0.099 6 0 "[ . 1 . 2]" 1
2142 1 113 PRO HA 1 114 VAL H . . 2.600 2.320 2.106 2.638 0.038 19 0 "[ . 1 . 2]" 1
2143 1 113 PRO HA 1 114 VAL MG2 . . 4.900 4.372 2.910 5.707 0.807 9 6 "[ . +1-* *. * *]" 1
2144 1 113 PRO HB2 1 114 VAL H . . 4.230 3.165 2.392 4.076 . 0 0 "[ . 1 . 2]" 1
2145 1 113 PRO HB3 1 114 VAL H . . 4.200 3.696 3.202 4.312 0.112 20 0 "[ . 1 . 2]" 1
2146 1 113 PRO HB3 1 115 ASP H . . 5.270 4.822 2.827 6.054 0.784 2 3 "[ + .- 1 . *]" 1
2147 1 113 PRO HD2 1 114 VAL H . . 5.500 5.432 4.877 5.582 0.082 4 0 "[ . 1 . 2]" 1
2148 1 114 VAL H 1 114 VAL HB . . 3.550 3.373 2.733 3.645 0.095 19 0 "[ . 1 . 2]" 1
2149 1 114 VAL H 1 114 VAL MG2 . . 3.630 3.032 1.943 4.065 0.435 18 0 "[ . 1 . 2]" 1
2150 1 114 VAL H 1 115 ASP H . . 3.170 2.850 2.212 3.252 0.082 16 0 "[ . 1 . 2]" 1
2151 1 114 VAL H 1 115 ASP HA . . 5.500 4.713 3.943 5.572 0.072 3 0 "[ . 1 . 2]" 1
2152 1 114 VAL H 1 116 THR H . . 4.790 4.231 2.529 4.868 0.078 8 0 "[ . 1 . 2]" 1
2153 1 114 VAL HA 1 114 VAL MG2 . . 3.540 2.769 2.264 3.292 . 0 0 "[ . 1 . 2]" 1
2154 1 114 VAL HA 1 115 ASP H . . 2.920 2.612 2.074 3.006 0.086 5 0 "[ . 1 . 2]" 1
2155 1 114 VAL HA 1 116 THR H . . 3.920 3.624 2.765 4.006 0.086 16 0 "[ . 1 . 2]" 1
2156 1 114 VAL MG1 1 115 ASP H . . 5.500 4.167 3.469 4.432 . 0 0 "[ . 1 . 2]" 1
2157 1 114 VAL MG2 1 115 ASP H . . 4.410 3.961 3.230 4.436 0.026 10 0 "[ . 1 . 2]" 1
2158 1 114 VAL MG2 1 115 ASP HA . . 5.380 4.801 3.582 5.507 0.127 8 0 "[ . 1 . 2]" 1
2159 1 114 VAL MG2 1 116 THR H . . 5.500 4.721 2.701 5.543 0.043 4 0 "[ . 1 . 2]" 1
2160 1 115 ASP H 1 115 ASP HB2 . . 3.960 2.937 2.372 3.606 . 0 0 "[ . 1 . 2]" 1
2161 1 115 ASP H 1 115 ASP HB3 . . 3.750 2.988 2.256 4.050 0.300 6 0 "[ . 1 . 2]" 1
2162 1 115 ASP H 1 116 THR H . . 4.360 2.564 1.838 3.467 . 0 0 "[ . 1 . 2]" 1
2163 1 115 ASP HB2 1 116 THR H . . 5.400 4.132 3.478 4.710 . 0 0 "[ . 1 . 2]" 1
2164 1 115 ASP HB3 1 116 THR HB . . 5.430 5.075 3.823 6.136 0.706 6 1 "[ .+ 1 . 2]" 1
2165 1 116 THR HA 1 116 THR MG . . 3.050 2.535 2.193 3.175 0.125 7 0 "[ . 1 . 2]" 1
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