NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
494871 |
2kt5   |
16683 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kt5
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 2335
_Distance_constraint_stats_list.Viol_count 2820
_Distance_constraint_stats_list.Viol_total 3883.761
_Distance_constraint_stats_list.Viol_max 0.639
_Distance_constraint_stats_list.Viol_rms 0.0255
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0689
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 MET 0.003 0.003 20 0 "[ . 1 . 2]"
1 11 GLY 0.005 0.003 15 0 "[ . 1 . 2]"
1 12 ARG 0.176 0.167 20 0 "[ . 1 . 2]"
1 13 ASP 0.177 0.167 20 0 "[ . 1 . 2]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.002 0.001 10 0 "[ . 1 . 2]"
1 16 LYS 0.054 0.020 4 0 "[ . 1 . 2]"
1 17 TRP 0.089 0.013 19 0 "[ . 1 . 2]"
1 18 GLN 0.171 0.111 5 0 "[ . 1 . 2]"
1 19 HIS 0.145 0.045 20 0 "[ . 1 . 2]"
1 20 ASP 0.212 0.045 20 0 "[ . 1 . 2]"
1 21 LEU 11.025 0.440 13 0 "[ . 1 . 2]"
1 22 PHE 0.004 0.004 15 0 "[ . 1 . 2]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.001 0.001 19 0 "[ . 1 . 2]"
1 28 GLY 0.001 0.001 19 0 "[ . 1 . 2]"
1 30 GLU 0.162 0.033 19 0 "[ . 1 . 2]"
1 31 GLY 0.185 0.033 19 0 "[ . 1 . 2]"
1 32 VAL 0.536 0.135 6 0 "[ . 1 . 2]"
1 33 GLU 4.768 0.171 1 0 "[ . 1 . 2]"
1 34 THR 3.524 0.171 1 0 "[ . 1 . 2]"
1 35 GLY 1.930 0.149 18 0 "[ . 1 . 2]"
1 36 ALA 1.976 0.114 6 0 "[ . 1 . 2]"
1 37 LYS 2.193 0.133 13 0 "[ . 1 . 2]"
1 38 LEU 1.393 0.137 7 0 "[ . 1 . 2]"
1 39 LEU 1.245 0.122 15 0 "[ . 1 . 2]"
1 40 VAL 0.719 0.124 8 0 "[ . 1 . 2]"
1 41 SER 2.234 0.065 2 0 "[ . 1 . 2]"
1 42 ASN 4.019 0.167 18 0 "[ . 1 . 2]"
1 43 LEU 3.753 0.124 14 0 "[ . 1 . 2]"
1 44 ASP 2.806 0.179 18 0 "[ . 1 . 2]"
1 45 PHE 5.583 0.264 11 0 "[ . 1 . 2]"
1 46 GLY 5.931 0.377 18 0 "[ . 1 . 2]"
1 47 VAL 10.251 0.377 18 0 "[ . 1 . 2]"
1 48 SER 1.886 0.125 18 0 "[ . 1 . 2]"
1 49 ASP 4.694 0.217 11 0 "[ . 1 . 2]"
1 50 ALA 7.109 0.230 3 0 "[ . 1 . 2]"
1 51 ASP 0.714 0.045 9 0 "[ . 1 . 2]"
1 52 ILE 15.744 0.230 3 0 "[ . 1 . 2]"
1 53 GLN 13.696 0.435 14 0 "[ . 1 . 2]"
1 54 GLU 10.235 0.292 17 0 "[ . 1 . 2]"
1 55 LEU 12.311 0.308 19 0 "[ . 1 . 2]"
1 56 PHE 1.924 0.103 19 0 "[ . 1 . 2]"
1 57 ALA 11.796 0.634 19 17 "[*-****** * ***** *+*]"
1 58 GLU 2.813 0.169 17 0 "[ . 1 . 2]"
1 59 PHE 4.220 0.203 10 0 "[ . 1 . 2]"
1 60 GLY 0.850 0.127 16 0 "[ . 1 . 2]"
1 61 THR 5.698 0.199 11 0 "[ . 1 . 2]"
1 62 LEU 22.352 0.634 19 17 "[*-****** * ***** *+*]"
1 63 LYS 2.303 0.248 7 0 "[ . 1 . 2]"
1 64 LYS 4.022 0.284 1 0 "[ . 1 . 2]"
1 65 ALA 2.484 0.199 11 0 "[ . 1 . 2]"
1 66 ALA 1.792 0.284 1 0 "[ . 1 . 2]"
1 67 VAL 15.969 0.292 8 0 "[ . 1 . 2]"
1 68 ASP 1.557 0.069 10 0 "[ . 1 . 2]"
1 69 TYR 6.951 0.200 13 0 "[ . 1 . 2]"
1 70 ASP 1.170 0.093 13 0 "[ . 1 . 2]"
1 71 ARG 0.706 0.096 13 0 "[ . 1 . 2]"
1 72 SER 0.143 0.037 15 0 "[ . 1 . 2]"
1 73 GLY 0.285 0.054 20 0 "[ . 1 . 2]"
1 74 ARG 0.855 0.093 13 0 "[ . 1 . 2]"
1 75 SER 2.812 0.292 8 0 "[ . 1 . 2]"
1 76 LEU 1.913 0.130 6 0 "[ . 1 . 2]"
1 77 GLY 1.673 0.130 6 0 "[ . 1 . 2]"
1 78 THR 3.683 0.138 18 0 "[ . 1 . 2]"
1 79 ALA 1.428 0.128 8 0 "[ . 1 . 2]"
1 80 ASP 5.400 0.260 4 0 "[ . 1 . 2]"
1 81 VAL 6.981 0.203 10 0 "[ . 1 . 2]"
1 82 HIS 6.987 0.269 7 0 "[ . 1 . 2]"
1 83 PHE 3.603 0.248 7 0 "[ . 1 . 2]"
1 84 GLU 0.624 0.043 3 0 "[ . 1 . 2]"
1 85 ARG 4.629 0.208 15 0 "[ . 1 . 2]"
1 86 ARG 2.978 0.173 5 0 "[ . 1 . 2]"
1 87 ALA 0.578 0.135 6 0 "[ . 1 . 2]"
1 88 ASP 2.208 0.208 15 0 "[ . 1 . 2]"
1 89 ALA 0.645 0.056 15 0 "[ . 1 . 2]"
1 90 LEU 2.062 0.173 5 0 "[ . 1 . 2]"
1 91 LYS 3.835 0.203 10 0 "[ . 1 . 2]"
1 92 ALA 0.049 0.020 3 0 "[ . 1 . 2]"
1 93 MET 2.155 0.296 13 0 "[ . 1 . 2]"
1 94 LYS 0.613 0.157 17 0 "[ . 1 . 2]"
1 95 GLN 0.235 0.095 17 0 "[ . 1 . 2]"
1 96 TYR 0.105 0.044 20 0 "[ . 1 . 2]"
1 97 LYS 0.815 0.091 16 0 "[ . 1 . 2]"
1 98 GLY 0.321 0.048 17 0 "[ . 1 . 2]"
1 99 VAL 2.313 0.160 8 0 "[ . 1 . 2]"
1 100 PRO 3.306 0.132 15 0 "[ . 1 . 2]"
1 101 LEU 8.355 0.308 19 0 "[ . 1 . 2]"
1 102 ASP 0.253 0.060 14 0 "[ . 1 . 2]"
1 103 GLY 0.017 0.016 15 0 "[ . 1 . 2]"
1 104 ARG 9.003 0.409 20 0 "[ . 1 . 2]"
1 105 PRO 3.153 0.092 15 0 "[ . 1 . 2]"
1 106 MET 6.337 0.124 14 0 "[ . 1 . 2]"
1 107 ASP 0.726 0.091 16 0 "[ . 1 . 2]"
1 108 ILE 2.491 0.124 8 0 "[ . 1 . 2]"
1 109 GLN 0.540 0.052 8 0 "[ . 1 . 2]"
1 110 LEU 2.892 0.296 13 0 "[ . 1 . 2]"
1 111 VAL 0.736 0.122 15 0 "[ . 1 . 2]"
1 112 ALA 0.243 0.086 9 0 "[ . 1 . 2]"
1 113 SER 1.784 0.389 6 0 "[ . 1 . 2]"
1 114 GLN 2.352 0.389 6 0 "[ . 1 . 2]"
1 115 ILE 1.869 0.202 18 0 "[ . 1 . 2]"
1 116 ASP 7.247 0.289 19 0 "[ . 1 . 2]"
1 117 LEU 10.257 0.639 13 2 "[ . 1 + . - 2]"
1 118 GLU 1.618 0.639 13 2 "[ . 1 + . - 2]"
1 119 HIS 0.051 0.031 7 0 "[ . 1 . 2]"
2 2 PRO 0.014 0.008 20 0 "[ . 1 . 2]"
2 3 LEU 0.018 0.008 20 0 "[ . 1 . 2]"
2 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 SER 0.030 0.020 1 0 "[ . 1 . 2]"
2 6 VAL 0.972 0.139 16 0 "[ . 1 . 2]"
2 7 TRP 4.961 0.292 17 0 "[ . 1 . 2]"
2 8 SER 0.308 0.042 14 0 "[ . 1 . 2]"
2 9 ARG 1.219 0.139 16 0 "[ . 1 . 2]"
2 10 LEU 0.084 0.027 15 0 "[ . 1 . 2]"
2 11 GLY 0.054 0.046 6 0 "[ . 1 . 2]"
2 12 ALA 1.826 0.160 8 0 "[ . 1 . 2]"
2 13 ARG 1.610 0.216 4 0 "[ . 1 . 2]"
2 14 ARG 1.107 0.216 4 0 "[ . 1 . 2]"
2 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 PRO 0.115 0.059 3 0 "[ . 1 . 2]"
2 20 GLU 0.115 0.059 3 0 "[ . 1 . 2]"
2 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 LYS 0.188 0.119 1 0 "[ . 1 . 2]"
2 26 VAL 0.396 0.396 15 0 "[ . 1 . 2]"
2 27 ALA 0.396 0.396 15 0 "[ . 1 . 2]"
2 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 LEU 0.691 0.629 14 1 "[ . 1 +. 2]"
2 30 GLN 0.664 0.629 14 1 "[ . 1 +. 2]"
2 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 ARG 0.044 0.043 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 MET H 1 4 MET QB . . 3.680 2.800 2.214 3.388 . 0 0 "[ . 1 . 2]" 1
2 1 5 THR H 1 5 THR MG . . 4.770 3.133 2.218 4.049 . 0 0 "[ . 1 . 2]" 1
3 1 8 GLN H 1 8 GLN HG2 . . 5.410 3.636 2.522 4.781 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLN H 1 8 GLN QG . . 4.590 3.131 2.194 4.384 . 0 0 "[ . 1 . 2]" 1
5 1 8 GLN H 1 8 GLN HG3 . . 5.410 3.748 2.207 5.280 . 0 0 "[ . 1 . 2]" 1
6 1 8 GLN HA 1 9 GLN H . . 3.420 2.367 2.140 2.639 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLN QG 1 9 GLN H . . 5.100 3.795 1.938 4.519 . 0 0 "[ . 1 . 2]" 1
8 1 9 GLN H 1 10 MET H . . 4.700 4.343 4.075 4.622 . 0 0 "[ . 1 . 2]" 1
9 1 9 GLN HA 1 10 MET H . . 3.290 2.323 2.145 2.572 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLN QB 1 10 MET H . . 3.830 2.953 2.106 3.667 . 0 0 "[ . 1 . 2]" 1
11 1 9 GLN HB2 1 10 MET H . . 4.410 3.285 2.120 4.190 . 0 0 "[ . 1 . 2]" 1
12 1 9 GLN HB3 1 10 MET H . . 4.410 3.754 2.961 4.223 . 0 0 "[ . 1 . 2]" 1
13 1 9 GLN QG 1 10 MET HA . . 4.280 3.889 3.434 4.274 . 0 0 "[ . 1 . 2]" 1
14 1 10 MET H 1 10 MET QG . . 4.320 3.225 2.246 4.323 0.003 20 0 "[ . 1 . 2]" 1
15 1 10 MET HA 1 11 GLY H . . 3.370 2.403 2.208 2.591 . 0 0 "[ . 1 . 2]" 1
16 1 10 MET QB 1 11 GLY H . . 4.280 2.624 2.056 3.679 . 0 0 "[ . 1 . 2]" 1
17 1 11 GLY H 1 12 ARG H . . 4.520 2.876 2.005 3.976 . 0 0 "[ . 1 . 2]" 1
18 1 11 GLY H 1 12 ARG HA . . 4.450 4.400 4.295 4.453 0.003 15 0 "[ . 1 . 2]" 1
19 1 11 GLY QA 1 12 ARG H . . 2.980 2.412 2.115 2.786 . 0 0 "[ . 1 . 2]" 1
20 1 12 ARG H 1 12 ARG HB2 . . 3.800 2.897 2.303 3.804 0.004 10 0 "[ . 1 . 2]" 1
21 1 12 ARG H 1 12 ARG QB . . 3.290 2.482 2.266 3.013 . 0 0 "[ . 1 . 2]" 1
22 1 12 ARG H 1 12 ARG HB3 . . 3.800 2.987 2.431 3.615 . 0 0 "[ . 1 . 2]" 1
23 1 12 ARG HA 1 12 ARG QG . . 3.610 2.653 2.141 3.418 . 0 0 "[ . 1 . 2]" 1
24 1 12 ARG HA 1 13 ASP H . . 2.960 2.234 2.183 2.278 . 0 0 "[ . 1 . 2]" 1
25 1 12 ARG QB 1 13 ASP H . . 3.690 3.179 2.763 3.652 . 0 0 "[ . 1 . 2]" 1
26 1 12 ARG HB2 1 13 ASP H . . 4.280 3.856 2.819 4.261 . 0 0 "[ . 1 . 2]" 1
27 1 12 ARG HB3 1 13 ASP H . . 4.280 3.637 2.881 4.200 . 0 0 "[ . 1 . 2]" 1
28 1 12 ARG QG 1 13 ASP H . . 3.890 3.130 2.197 3.888 . 0 0 "[ . 1 . 2]" 1
29 1 12 ARG HG2 1 13 ASP H . . 4.610 4.018 2.774 4.777 0.167 20 0 "[ . 1 . 2]" 1
30 1 12 ARG HG3 1 13 ASP H . . 4.610 3.388 2.209 4.607 . 0 0 "[ . 1 . 2]" 1
31 1 13 ASP H 1 13 ASP HB2 . . 3.660 2.875 2.183 3.655 . 0 0 "[ . 1 . 2]" 1
32 1 13 ASP H 1 13 ASP QB . . 3.190 2.595 2.162 3.167 . 0 0 "[ . 1 . 2]" 1
33 1 13 ASP H 1 13 ASP HB3 . . 3.660 3.398 2.788 3.565 . 0 0 "[ . 1 . 2]" 1
34 1 13 ASP H 1 14 PRO QD . . 4.910 4.355 4.328 4.370 . 0 0 "[ . 1 . 2]" 1
35 1 13 ASP HA 1 14 PRO HD2 . . 3.030 2.499 2.404 2.513 . 0 0 "[ . 1 . 2]" 1
36 1 13 ASP HA 1 14 PRO HD3 . . 3.030 2.342 2.299 2.349 . 0 0 "[ . 1 . 2]" 1
37 1 13 ASP QB 1 14 PRO QD . . 3.420 1.970 1.935 2.028 . 0 0 "[ . 1 . 2]" 1
38 1 13 ASP QB 1 15 ASP H . . 4.300 2.682 2.273 4.076 . 0 0 "[ . 1 . 2]" 1
39 1 13 ASP QB 1 16 LYS H . . 4.870 4.568 3.838 4.880 0.010 15 0 "[ . 1 . 2]" 1
40 1 13 ASP HB2 1 14 PRO HD2 . . 4.860 2.864 1.984 3.608 . 0 0 "[ . 1 . 2]" 1
41 1 13 ASP HB2 1 14 PRO HD3 . . 4.860 4.116 3.437 4.688 . 0 0 "[ . 1 . 2]" 1
42 1 13 ASP HB3 1 14 PRO HD2 . . 4.860 2.385 1.962 2.916 . 0 0 "[ . 1 . 2]" 1
43 1 13 ASP HB3 1 14 PRO HD3 . . 4.860 3.641 3.384 3.940 . 0 0 "[ . 1 . 2]" 1
44 1 14 PRO QB 1 15 ASP H . . 3.600 3.055 1.957 3.541 . 0 0 "[ . 1 . 2]" 1
45 1 14 PRO QD 1 15 ASP H . . 3.730 2.733 2.600 3.324 . 0 0 "[ . 1 . 2]" 1
46 1 14 PRO HD2 1 15 ASP H . . 4.540 2.796 2.645 3.478 . 0 0 "[ . 1 . 2]" 1
47 1 14 PRO HD3 1 15 ASP H . . 4.540 3.908 3.835 4.223 . 0 0 "[ . 1 . 2]" 1
48 1 14 PRO QG 1 15 ASP H . . 3.570 2.329 1.737 2.904 . 0 0 "[ . 1 . 2]" 1
49 1 15 ASP H 1 16 LYS H . . 3.740 3.262 2.634 3.741 0.001 10 0 "[ . 1 . 2]" 1
50 1 15 ASP HA 1 16 LYS H . . 3.070 2.465 2.144 2.898 . 0 0 "[ . 1 . 2]" 1
51 1 15 ASP HB2 1 16 LYS H . . 5.320 4.336 3.627 4.630 . 0 0 "[ . 1 . 2]" 1
52 1 15 ASP HB3 1 16 LYS H . . 5.320 4.292 3.808 4.656 . 0 0 "[ . 1 . 2]" 1
53 1 16 LYS H 1 16 LYS QB . . 3.590 2.383 2.142 2.974 . 0 0 "[ . 1 . 2]" 1
54 1 16 LYS H 1 16 LYS HG2 . . 5.160 3.431 2.017 4.948 . 0 0 "[ . 1 . 2]" 1
55 1 16 LYS H 1 16 LYS QG . . 4.480 3.017 2.006 4.220 . 0 0 "[ . 1 . 2]" 1
56 1 16 LYS H 1 16 LYS HG3 . . 5.160 3.676 2.457 4.575 . 0 0 "[ . 1 . 2]" 1
57 1 16 LYS HA 1 16 LYS HD2 . . 5.500 3.662 2.071 5.499 . 0 0 "[ . 1 . 2]" 1
58 1 16 LYS HA 1 16 LYS QD . . 4.830 3.204 1.989 4.419 . 0 0 "[ . 1 . 2]" 1
59 1 16 LYS HA 1 16 LYS HD3 . . 5.500 3.962 2.000 5.507 0.007 3 0 "[ . 1 . 2]" 1
60 1 16 LYS HA 1 16 LYS QE . . 4.210 3.761 2.036 4.214 0.004 2 0 "[ . 1 . 2]" 1
61 1 16 LYS HA 1 16 LYS HG2 . . 4.210 3.133 2.376 3.898 . 0 0 "[ . 1 . 2]" 1
62 1 16 LYS HA 1 16 LYS QG . . 3.620 2.662 2.152 3.414 . 0 0 "[ . 1 . 2]" 1
63 1 16 LYS HA 1 16 LYS HG3 . . 4.210 3.260 2.188 4.230 0.020 4 0 "[ . 1 . 2]" 1
64 1 16 LYS QB 1 17 TRP H . . 3.960 3.000 2.126 3.959 . 0 0 "[ . 1 . 2]" 1
65 1 16 LYS QB 1 17 TRP HE1 . . 5.310 4.936 3.756 5.312 0.002 19 0 "[ . 1 . 2]" 1
66 1 16 LYS QE 1 16 LYS QG . . 3.150 2.305 2.069 2.822 . 0 0 "[ . 1 . 2]" 1
67 1 16 LYS HG2 1 17 TRP H . . 5.500 4.374 2.138 5.241 . 0 0 "[ . 1 . 2]" 1
68 1 16 LYS HG3 1 17 TRP H . . 5.500 4.477 3.375 5.502 0.002 7 0 "[ . 1 . 2]" 1
69 1 17 TRP H 1 17 TRP QB . . 2.810 2.614 2.358 2.820 0.010 4 0 "[ . 1 . 2]" 1
70 1 17 TRP H 1 17 TRP HD1 . . 4.420 3.464 1.955 4.423 0.003 9 0 "[ . 1 . 2]" 1
71 1 17 TRP HA 1 17 TRP HD1 . . 4.110 3.310 2.146 4.123 0.013 19 0 "[ . 1 . 2]" 1
72 1 17 TRP HA 1 17 TRP HE3 . . 5.450 4.942 4.659 5.250 . 0 0 "[ . 1 . 2]" 1
73 1 17 TRP HA 1 18 GLN H . . 3.090 2.401 2.148 2.647 . 0 0 "[ . 1 . 2]" 1
74 1 17 TRP QB 1 17 TRP HD1 . . 3.370 2.993 2.804 3.129 . 0 0 "[ . 1 . 2]" 1
75 1 17 TRP QB 1 17 TRP HE3 . . 3.600 2.414 2.375 2.497 . 0 0 "[ . 1 . 2]" 1
76 1 17 TRP QB 1 18 GLN H . . 3.470 2.534 1.940 3.480 0.010 5 0 "[ . 1 . 2]" 1
77 1 17 TRP HD1 1 18 GLN H . . 4.540 4.153 3.365 4.544 0.004 20 0 "[ . 1 . 2]" 1
78 1 18 GLN H 1 18 GLN HB2 . . 3.910 3.609 2.634 3.921 0.011 15 0 "[ . 1 . 2]" 1
79 1 18 GLN H 1 18 GLN QB . . 3.330 3.095 2.242 3.339 0.009 15 0 "[ . 1 . 2]" 1
80 1 18 GLN H 1 18 GLN HB3 . . 3.910 3.507 2.350 3.890 . 0 0 "[ . 1 . 2]" 1
81 1 18 GLN H 1 18 GLN QE . . 4.560 3.916 2.668 4.571 0.011 5 0 "[ . 1 . 2]" 1
82 1 18 GLN H 1 18 GLN HG2 . . 4.420 3.053 2.207 4.396 . 0 0 "[ . 1 . 2]" 1
83 1 18 GLN H 1 18 GLN QG . . 3.800 2.622 2.181 3.911 0.111 5 0 "[ . 1 . 2]" 1
84 1 18 GLN H 1 18 GLN HG3 . . 4.420 3.546 2.288 4.383 . 0 0 "[ . 1 . 2]" 1
85 1 18 GLN QB 1 18 GLN QE . . 4.050 3.016 1.977 3.681 . 0 0 "[ . 1 . 2]" 1
86 1 19 HIS H 1 19 HIS HB2 . . 4.130 3.134 2.440 4.073 . 0 0 "[ . 1 . 2]" 1
87 1 19 HIS H 1 19 HIS HB3 . . 4.130 3.687 3.168 3.938 . 0 0 "[ . 1 . 2]" 1
88 1 19 HIS H 1 20 ASP H . . 4.500 4.243 1.898 4.457 . 0 0 "[ . 1 . 2]" 1
89 1 19 HIS HA 1 20 ASP H . . 3.120 2.455 2.218 3.165 0.045 20 0 "[ . 1 . 2]" 1
90 1 19 HIS HA 1 20 ASP QB . . 4.230 4.034 3.791 4.262 0.032 15 0 "[ . 1 . 2]" 1
91 1 19 HIS QB 1 19 HIS HD2 . . 3.350 2.823 2.626 3.146 . 0 0 "[ . 1 . 2]" 1
92 1 19 HIS QB 1 20 ASP H . . 3.500 2.540 1.943 3.542 0.042 20 0 "[ . 1 . 2]" 1
93 1 19 HIS QB 1 21 LEU H . . 5.200 4.345 2.554 5.047 . 0 0 "[ . 1 . 2]" 1
94 1 19 HIS HB2 1 20 ASP H . . 4.060 3.415 2.141 4.012 . 0 0 "[ . 1 . 2]" 1
95 1 19 HIS HB3 1 20 ASP H . . 4.060 2.935 1.956 4.032 . 0 0 "[ . 1 . 2]" 1
96 1 20 ASP H 1 20 ASP HB2 . . 4.000 3.440 2.654 4.028 0.028 15 0 "[ . 1 . 2]" 1
97 1 20 ASP H 1 20 ASP QB . . 3.420 2.960 2.392 3.329 . 0 0 "[ . 1 . 2]" 1
98 1 20 ASP H 1 20 ASP HB3 . . 4.000 3.342 2.718 4.000 . 0 0 "[ . 1 . 2]" 1
99 1 20 ASP H 1 21 LEU H . . 4.230 3.637 2.780 4.042 . 0 0 "[ . 1 . 2]" 1
100 1 20 ASP HA 1 21 LEU H . . 2.860 2.252 2.139 2.852 . 0 0 "[ . 1 . 2]" 1
101 1 20 ASP QB 1 21 LEU H . . 4.380 3.723 3.282 4.045 . 0 0 "[ . 1 . 2]" 1
102 1 20 ASP HB2 1 21 LEU H . . 5.050 4.233 3.402 4.642 . 0 0 "[ . 1 . 2]" 1
103 1 20 ASP HB3 1 21 LEU H . . 5.050 4.257 3.625 4.539 . 0 0 "[ . 1 . 2]" 1
104 1 21 LEU H 1 21 LEU HB2 . . 3.100 2.083 2.062 2.274 . 0 0 "[ . 1 . 2]" 1
105 1 21 LEU H 1 21 LEU QB . . 2.680 2.065 2.044 2.248 . 0 0 "[ . 1 . 2]" 1
106 1 21 LEU H 1 21 LEU HB3 . . 3.100 3.387 3.357 3.540 0.440 13 0 "[ . 1 . 2]" 1
107 1 21 LEU H 1 21 LEU MD1 . . 4.070 3.672 3.393 4.098 0.028 13 0 "[ . 1 . 2]" 1
108 1 21 LEU H 1 21 LEU MD2 . . 4.420 4.065 1.968 4.298 . 0 0 "[ . 1 . 2]" 1
109 1 21 LEU H 1 21 LEU HG . . 3.240 3.358 3.332 3.495 0.255 13 0 "[ . 1 . 2]" 1
110 1 21 LEU HA 1 21 LEU MD1 . . 3.580 3.676 2.592 3.778 0.198 6 0 "[ . 1 . 2]" 1
111 1 21 LEU HA 1 21 LEU MD2 . . 3.090 2.320 1.936 2.687 . 0 0 "[ . 1 . 2]" 1
112 1 21 LEU HA 1 21 LEU HG . . 4.050 2.536 2.316 3.683 . 0 0 "[ . 1 . 2]" 1
113 1 21 LEU HA 1 22 PHE H . . 2.970 2.417 2.138 2.588 . 0 0 "[ . 1 . 2]" 1
114 1 21 LEU QB 1 21 LEU MD2 . . 2.620 2.219 2.047 2.527 . 0 0 "[ . 1 . 2]" 1
115 1 21 LEU QB 1 22 PHE H . . 4.270 2.618 2.227 3.533 . 0 0 "[ . 1 . 2]" 1
116 1 21 LEU QB 1 22 PHE QB . . 5.090 4.559 3.966 4.919 . 0 0 "[ . 1 . 2]" 1
117 1 21 LEU QB 1 22 PHE QD . . 4.790 4.544 4.365 4.652 . 0 0 "[ . 1 . 2]" 1
118 1 21 LEU HB2 1 21 LEU MD1 . . 3.370 2.262 2.073 3.095 . 0 0 "[ . 1 . 2]" 1
119 1 21 LEU HB2 1 21 LEU MD2 . . 3.350 3.132 2.671 3.193 . 0 0 "[ . 1 . 2]" 1
120 1 21 LEU HB3 1 21 LEU MD1 . . 3.370 2.497 2.182 2.686 . 0 0 "[ . 1 . 2]" 1
121 1 21 LEU HB3 1 21 LEU MD2 . . 3.350 2.293 2.076 3.119 . 0 0 "[ . 1 . 2]" 1
122 1 21 LEU MD1 1 22 PHE H . . 4.910 4.177 3.058 4.914 0.004 15 0 "[ . 1 . 2]" 1
123 1 21 LEU MD2 1 22 PHE H . . 4.330 2.196 1.903 3.749 . 0 0 "[ . 1 . 2]" 1
124 1 22 PHE H 1 22 PHE HB2 . . 4.070 3.252 2.216 4.064 . 0 0 "[ . 1 . 2]" 1
125 1 22 PHE H 1 22 PHE QB . . 3.330 2.888 2.193 3.319 . 0 0 "[ . 1 . 2]" 1
126 1 22 PHE H 1 22 PHE HB3 . . 4.070 3.551 3.128 3.838 . 0 0 "[ . 1 . 2]" 1
127 1 22 PHE H 1 22 PHE QD . . 4.500 3.156 2.461 4.336 . 0 0 "[ . 1 . 2]" 1
128 1 22 PHE HA 1 23 ASP H . . 2.770 2.397 2.185 2.609 . 0 0 "[ . 1 . 2]" 1
129 1 22 PHE QB 1 23 ASP H . . 3.400 2.552 2.000 2.987 . 0 0 "[ . 1 . 2]" 1
130 1 22 PHE QB 1 23 ASP HA . . 4.340 4.054 3.718 4.319 . 0 0 "[ . 1 . 2]" 1
131 1 22 PHE HB2 1 23 ASP H . . 4.010 3.328 2.053 4.003 . 0 0 "[ . 1 . 2]" 1
132 1 22 PHE HB3 1 23 ASP H . . 4.010 3.084 2.018 4.002 . 0 0 "[ . 1 . 2]" 1
133 1 22 PHE QD 1 23 ASP H . . 4.360 3.414 2.607 4.224 . 0 0 "[ . 1 . 2]" 1
134 1 23 ASP H 1 23 ASP QB . . 3.300 2.923 2.476 3.291 . 0 0 "[ . 1 . 2]" 1
135 1 23 ASP HA 1 24 SER H . . 3.140 2.404 2.138 2.652 . 0 0 "[ . 1 . 2]" 1
136 1 23 ASP QB 1 24 SER H . . 4.090 2.839 1.959 3.910 . 0 0 "[ . 1 . 2]" 1
137 1 24 SER H 1 24 SER QB . . 3.640 2.918 2.554 3.286 . 0 0 "[ . 1 . 2]" 1
138 1 24 SER H 1 25 GLY H . . 4.560 4.231 2.260 4.487 . 0 0 "[ . 1 . 2]" 1
139 1 26 CYS H 1 26 CYS HG . . 5.150 4.275 2.852 5.146 . 0 0 "[ . 1 . 2]" 1
140 1 27 GLY H 1 28 GLY H . . 4.440 4.280 3.895 4.441 0.001 19 0 "[ . 1 . 2]" 1
141 1 30 GLU H 1 30 GLU QB . . 3.690 2.711 2.110 3.416 . 0 0 "[ . 1 . 2]" 1
142 1 30 GLU H 1 30 GLU QG . . 4.300 3.321 2.491 4.251 . 0 0 "[ . 1 . 2]" 1
143 1 30 GLU HA 1 30 GLU QG . . 3.600 2.582 2.019 3.433 . 0 0 "[ . 1 . 2]" 1
144 1 30 GLU HA 1 31 GLY H . . 2.960 2.528 2.261 2.992 0.032 13 0 "[ . 1 . 2]" 1
145 1 30 GLU QB 1 30 GLU QG . . 2.270 2.052 1.981 2.086 . 0 0 "[ . 1 . 2]" 1
146 1 30 GLU QB 1 31 GLY H . . 3.690 2.586 1.939 3.723 0.033 19 0 "[ . 1 . 2]" 1
147 1 30 GLU HB2 1 31 GLY H . . 4.280 3.431 1.979 4.304 0.024 19 0 "[ . 1 . 2]" 1
148 1 30 GLU HB3 1 31 GLY H . . 4.280 3.010 1.959 4.126 . 0 0 "[ . 1 . 2]" 1
149 1 30 GLU HG2 1 31 GLY H . . 5.500 3.904 2.280 5.510 0.010 19 0 "[ . 1 . 2]" 1
150 1 30 GLU HG3 1 31 GLY H . . 5.500 3.814 1.950 5.126 . 0 0 "[ . 1 . 2]" 1
151 1 31 GLY H 1 32 VAL H . . 3.440 2.476 1.896 3.453 0.013 15 0 "[ . 1 . 2]" 1
152 1 31 GLY H 1 32 VAL QG . . 4.090 3.634 2.745 4.094 0.004 5 0 "[ . 1 . 2]" 1
153 1 31 GLY QA 1 32 VAL H . . 2.900 2.578 2.131 2.901 0.001 2 0 "[ . 1 . 2]" 1
154 1 31 GLY QA 1 32 VAL QG . . 4.270 3.748 3.527 3.984 . 0 0 "[ . 1 . 2]" 1
155 1 32 VAL H 1 32 VAL HB . . 3.170 2.696 2.592 2.932 . 0 0 "[ . 1 . 2]" 1
156 1 32 VAL H 1 32 VAL MG1 . . 3.880 2.217 1.925 3.803 . 0 0 "[ . 1 . 2]" 1
157 1 32 VAL H 1 32 VAL QG . . 2.770 2.033 1.919 2.165 . 0 0 "[ . 1 . 2]" 1
158 1 32 VAL H 1 32 VAL MG2 . . 3.880 3.600 2.055 3.810 . 0 0 "[ . 1 . 2]" 1
159 1 32 VAL HA 1 32 VAL MG1 . . 3.280 3.093 2.251 3.200 . 0 0 "[ . 1 . 2]" 1
160 1 32 VAL HA 1 32 VAL QG . . 2.770 2.261 2.097 2.342 . 0 0 "[ . 1 . 2]" 1
161 1 32 VAL HA 1 32 VAL MG2 . . 3.280 2.352 2.295 2.512 . 0 0 "[ . 1 . 2]" 1
162 1 32 VAL HA 1 33 GLU H . . 2.610 2.192 2.143 2.228 . 0 0 "[ . 1 . 2]" 1
163 1 32 VAL HA 1 33 GLU QG . . 4.370 3.285 3.140 3.613 . 0 0 "[ . 1 . 2]" 1
164 1 32 VAL HA 1 34 THR H . . 5.500 4.800 4.710 4.833 . 0 0 "[ . 1 . 2]" 1
165 1 32 VAL HA 1 36 ALA MB . . 5.500 5.227 4.606 5.520 0.020 15 0 "[ . 1 . 2]" 1
166 1 32 VAL HA 1 86 ARG H . . 4.530 2.545 2.306 3.019 . 0 0 "[ . 1 . 2]" 1
167 1 32 VAL HA 1 86 ARG HB2 . . 4.750 2.710 2.021 4.722 . 0 0 "[ . 1 . 2]" 1
168 1 32 VAL HA 1 86 ARG QB . . 4.130 2.403 1.904 3.805 . 0 0 "[ . 1 . 2]" 1
169 1 32 VAL HA 1 86 ARG HB3 . . 4.750 2.836 2.084 4.379 . 0 0 "[ . 1 . 2]" 1
170 1 32 VAL HB 1 33 GLU H . . 4.180 4.053 3.967 4.201 0.021 17 0 "[ . 1 . 2]" 1
171 1 32 VAL HB 1 86 ARG H . . 4.670 3.197 2.691 4.688 0.018 6 0 "[ . 1 . 2]" 1
172 1 32 VAL HB 1 87 ALA HA . . 4.950 4.715 4.134 5.085 0.135 6 0 "[ . 1 . 2]" 1
173 1 32 VAL HB 1 87 ALA MB . . 3.610 3.063 2.607 3.646 0.036 6 0 "[ . 1 . 2]" 1
174 1 32 VAL QG 1 33 GLU H . . 3.110 2.334 2.062 2.957 . 0 0 "[ . 1 . 2]" 1
175 1 32 VAL QG 1 34 THR H . . 4.930 4.273 3.947 4.618 . 0 0 "[ . 1 . 2]" 1
176 1 32 VAL QG 1 34 THR HA . . 4.800 4.650 4.311 4.865 0.065 6 0 "[ . 1 . 2]" 1
177 1 32 VAL QG 1 87 ALA MB . . 3.730 3.002 1.709 3.336 . 0 0 "[ . 1 . 2]" 1
178 1 32 VAL MG1 1 33 GLU H . . 4.560 3.844 2.986 4.087 . 0 0 "[ . 1 . 2]" 1
179 1 32 VAL MG2 1 33 GLU H . . 4.560 2.481 2.070 4.281 . 0 0 "[ . 1 . 2]" 1
180 1 33 GLU H 1 33 GLU HB2 . . 3.830 3.657 3.540 3.711 . 0 0 "[ . 1 . 2]" 1
181 1 33 GLU H 1 33 GLU HB3 . . 3.880 3.684 3.521 3.754 . 0 0 "[ . 1 . 2]" 1
182 1 33 GLU H 1 33 GLU QG . . 3.200 2.226 1.964 2.374 . 0 0 "[ . 1 . 2]" 1
183 1 33 GLU H 1 34 THR H . . 4.420 2.745 2.633 2.798 . 0 0 "[ . 1 . 2]" 1
184 1 33 GLU H 1 35 GLY H . . 4.400 3.131 2.823 3.488 . 0 0 "[ . 1 . 2]" 1
185 1 33 GLU H 1 36 ALA MB . . 5.500 5.398 4.886 5.526 0.026 1 0 "[ . 1 . 2]" 1
186 1 33 GLU HA 1 33 GLU QG . . 3.610 3.235 3.198 3.422 . 0 0 "[ . 1 . 2]" 1
187 1 33 GLU HA 1 34 THR H . . 3.380 3.542 3.539 3.551 0.171 1 0 "[ . 1 . 2]" 1
188 1 33 GLU HA 1 34 THR MG . . 4.890 4.666 4.355 4.920 0.030 18 0 "[ . 1 . 2]" 1
189 1 33 GLU HB2 1 34 THR H . . 3.640 2.259 2.220 2.382 . 0 0 "[ . 1 . 2]" 1
190 1 33 GLU HB2 1 34 THR HA . . 4.790 4.224 4.197 4.269 . 0 0 "[ . 1 . 2]" 1
191 1 33 GLU HB2 1 35 GLY H . . 4.410 4.072 4.019 4.185 . 0 0 "[ . 1 . 2]" 1
192 1 33 GLU QG 1 34 THR H . . 3.690 1.897 1.869 1.925 . 0 0 "[ . 1 . 2]" 1
193 1 33 GLU QG 1 35 GLY H . . 3.630 2.651 2.598 2.742 . 0 0 "[ . 1 . 2]" 1
194 1 33 GLU QG 1 86 ARG H . . 4.760 4.686 4.236 4.794 0.034 16 0 "[ . 1 . 2]" 1
195 1 33 GLU HG2 1 34 THR H . . 4.420 3.291 1.931 3.473 . 0 0 "[ . 1 . 2]" 1
196 1 33 GLU HG2 1 35 GLY H . . 4.310 4.205 2.631 4.415 0.105 15 0 "[ . 1 . 2]" 1
197 1 33 GLU HG3 1 34 THR H . . 4.420 1.998 1.878 2.848 . 0 0 "[ . 1 . 2]" 1
198 1 33 GLU HG3 1 35 GLY H . . 4.310 2.802 2.635 4.016 . 0 0 "[ . 1 . 2]" 1
199 1 34 THR H 1 34 THR MG . . 3.650 3.071 1.982 3.739 0.089 19 0 "[ . 1 . 2]" 1
200 1 34 THR H 1 35 GLY H . . 3.690 1.860 1.838 1.881 . 0 0 "[ . 1 . 2]" 1
201 1 34 THR H 1 35 GLY HA2 . . 5.500 4.360 4.270 4.450 . 0 0 "[ . 1 . 2]" 1
202 1 34 THR H 1 35 GLY QA . . 4.790 3.984 3.933 4.008 . 0 0 "[ . 1 . 2]" 1
203 1 34 THR H 1 35 GLY HA3 . . 5.500 4.610 4.527 4.643 . 0 0 "[ . 1 . 2]" 1
204 1 34 THR HA 1 34 THR MG . . 3.200 2.398 1.959 3.194 . 0 0 "[ . 1 . 2]" 1
205 1 34 THR HB 1 35 GLY H . . 4.440 3.792 3.198 4.378 . 0 0 "[ . 1 . 2]" 1
206 1 34 THR HB 1 115 ILE MD . . 5.260 3.369 2.127 4.863 . 0 0 "[ . 1 . 2]" 1
207 1 34 THR HB 1 115 ILE MG . . 5.500 3.279 2.606 4.492 . 0 0 "[ . 1 . 2]" 1
208 1 34 THR MG 1 35 GLY H . . 4.560 3.765 2.255 4.450 . 0 0 "[ . 1 . 2]" 1
209 1 34 THR MG 1 115 ILE MG . . 4.120 2.932 2.189 3.479 . 0 0 "[ . 1 . 2]" 1
210 1 35 GLY H 1 36 ALA H . . 4.500 4.407 4.370 4.444 . 0 0 "[ . 1 . 2]" 1
211 1 35 GLY H 1 36 ALA MB . . 5.150 4.360 4.215 4.425 . 0 0 "[ . 1 . 2]" 1
212 1 35 GLY H 1 86 ARG H . . 4.890 4.704 3.519 4.945 0.055 1 0 "[ . 1 . 2]" 1
213 1 35 GLY H 1 115 ILE MD . . 5.500 2.857 2.271 3.169 . 0 0 "[ . 1 . 2]" 1
214 1 35 GLY H 1 115 ILE MG . . 5.500 5.532 5.494 5.649 0.149 18 0 "[ . 1 . 2]" 1
215 1 35 GLY QA 1 36 ALA MB . . 4.610 3.490 3.452 3.552 . 0 0 "[ . 1 . 2]" 1
216 1 35 GLY QA 1 85 ARG HA . . 4.610 2.158 2.003 2.575 . 0 0 "[ . 1 . 2]" 1
217 1 35 GLY QA 1 86 ARG H . . 4.750 3.848 3.017 4.095 . 0 0 "[ . 1 . 2]" 1
218 1 35 GLY HA2 1 36 ALA H . . 3.480 2.567 2.481 2.640 . 0 0 "[ . 1 . 2]" 1
219 1 35 GLY HA3 1 36 ALA H . . 3.480 2.558 2.488 2.645 . 0 0 "[ . 1 . 2]" 1
220 1 36 ALA H 1 36 ALA MB . . 3.400 2.765 2.680 2.868 . 0 0 "[ . 1 . 2]" 1
221 1 36 ALA H 1 37 LYS H . . 4.530 4.353 4.314 4.381 . 0 0 "[ . 1 . 2]" 1
222 1 36 ALA H 1 82 HIS HA . . 5.500 5.394 5.292 5.521 0.021 7 0 "[ . 1 . 2]" 1
223 1 36 ALA H 1 83 PHE H . . 4.030 3.554 3.407 3.768 . 0 0 "[ . 1 . 2]" 1
224 1 36 ALA H 1 83 PHE HB2 . . 4.320 3.534 3.425 3.591 . 0 0 "[ . 1 . 2]" 1
225 1 36 ALA H 1 83 PHE HB3 . . 4.300 4.214 3.979 4.348 0.048 11 0 "[ . 1 . 2]" 1
226 1 36 ALA H 1 83 PHE HD1 . . 5.500 5.554 5.463 5.614 0.114 6 0 "[ . 1 . 2]" 1
227 1 36 ALA H 1 85 ARG H . . 4.490 3.950 3.703 4.189 . 0 0 "[ . 1 . 2]" 1
228 1 36 ALA H 1 89 ALA MB . . 4.950 4.596 4.362 4.791 . 0 0 "[ . 1 . 2]" 1
229 1 36 ALA H 1 115 ILE MD . . 4.860 3.496 3.147 4.596 . 0 0 "[ . 1 . 2]" 1
230 1 36 ALA HA 1 37 LYS H . . 3.220 2.366 2.298 2.524 . 0 0 "[ . 1 . 2]" 1
231 1 36 ALA HA 1 37 LYS HB2 . . 4.340 4.189 4.095 4.273 . 0 0 "[ . 1 . 2]" 1
232 1 36 ALA HA 1 83 PHE H . . 5.280 5.121 5.016 5.229 . 0 0 "[ . 1 . 2]" 1
233 1 36 ALA HA 1 110 LEU QD . . 5.440 4.653 4.085 4.915 . 0 0 "[ . 1 . 2]" 1
234 1 36 ALA HA 1 115 ILE MD . . 5.160 2.933 2.593 3.428 . 0 0 "[ . 1 . 2]" 1
235 1 36 ALA MB 1 37 LYS H . . 3.140 2.612 2.348 2.742 . 0 0 "[ . 1 . 2]" 1
236 1 36 ALA MB 1 83 PHE H . . 4.960 4.320 4.192 4.473 . 0 0 "[ . 1 . 2]" 1
237 1 36 ALA MB 1 83 PHE HB2 . . 4.170 3.679 3.481 4.012 . 0 0 "[ . 1 . 2]" 1
238 1 36 ALA MB 1 86 ARG H . . 4.290 4.171 3.387 4.359 0.069 9 0 "[ . 1 . 2]" 1
239 1 36 ALA MB 1 86 ARG HA . . 3.380 2.740 2.085 3.215 . 0 0 "[ . 1 . 2]" 1
240 1 36 ALA MB 1 86 ARG QB . . 3.430 3.219 2.552 3.483 0.053 15 0 "[ . 1 . 2]" 1
241 1 36 ALA MB 1 86 ARG HG2 . . 5.320 3.946 1.995 4.976 . 0 0 "[ . 1 . 2]" 1
242 1 36 ALA MB 1 86 ARG QG . . 4.620 3.052 1.929 4.231 . 0 0 "[ . 1 . 2]" 1
243 1 36 ALA MB 1 86 ARG HG3 . . 5.320 3.388 2.560 4.787 . 0 0 "[ . 1 . 2]" 1
244 1 36 ALA MB 1 89 ALA MB . . 3.330 2.880 2.588 3.248 . 0 0 "[ . 1 . 2]" 1
245 1 36 ALA MB 1 110 LEU QD . . 4.010 2.543 2.261 2.817 . 0 0 "[ . 1 . 2]" 1
246 1 36 ALA MB 1 116 ASP QB . . 4.640 4.349 2.744 4.659 0.019 18 0 "[ . 1 . 2]" 1
247 1 37 LYS H 1 37 LYS HB3 . . 3.640 3.358 3.150 3.497 . 0 0 "[ . 1 . 2]" 1
248 1 37 LYS H 1 37 LYS HD2 . . 5.500 5.251 5.126 5.316 . 0 0 "[ . 1 . 2]" 1
249 1 37 LYS H 1 37 LYS HE2 . . 5.500 5.241 4.746 5.509 0.009 8 0 "[ . 1 . 2]" 1
250 1 37 LYS H 1 37 LYS HE3 . . 5.500 5.167 4.632 5.514 0.014 4 0 "[ . 1 . 2]" 1
251 1 37 LYS H 1 37 LYS HG2 . . 4.400 4.126 3.999 4.402 0.002 7 0 "[ . 1 . 2]" 1
252 1 37 LYS H 1 37 LYS QG . . 3.760 3.516 3.291 3.802 0.042 7 0 "[ . 1 . 2]" 1
253 1 37 LYS H 1 37 LYS HG3 . . 4.400 3.815 3.501 4.157 . 0 0 "[ . 1 . 2]" 1
254 1 37 LYS H 1 38 LEU H . . 4.750 4.553 4.529 4.573 . 0 0 "[ . 1 . 2]" 1
255 1 37 LYS H 1 82 HIS HA . . 5.490 5.241 5.105 5.441 . 0 0 "[ . 1 . 2]" 1
256 1 37 LYS H 1 83 PHE H . . 4.900 4.883 4.767 4.944 0.044 17 0 "[ . 1 . 2]" 1
257 1 37 LYS H 1 89 ALA MB . . 5.500 5.131 4.779 5.244 . 0 0 "[ . 1 . 2]" 1
258 1 37 LYS H 1 110 LEU QD . . 4.520 3.902 3.150 4.202 . 0 0 "[ . 1 . 2]" 1
259 1 37 LYS H 1 111 VAL HA . . 5.500 5.258 5.207 5.305 . 0 0 "[ . 1 . 2]" 1
260 1 37 LYS H 1 111 VAL HB . . 4.560 4.189 3.937 4.352 . 0 0 "[ . 1 . 2]" 1
261 1 37 LYS H 1 111 VAL QG . . 4.870 4.119 3.876 4.263 . 0 0 "[ . 1 . 2]" 1
262 1 37 LYS H 1 113 SER H . . 4.110 2.928 2.308 3.528 . 0 0 "[ . 1 . 2]" 1
263 1 37 LYS H 1 113 SER QB . . 4.470 3.022 2.409 4.098 . 0 0 "[ . 1 . 2]" 1
264 1 37 LYS HA 1 37 LYS HD2 . . 5.140 3.839 3.605 4.080 . 0 0 "[ . 1 . 2]" 1
265 1 37 LYS HA 1 37 LYS HD3 . . 5.500 4.298 4.209 4.431 . 0 0 "[ . 1 . 2]" 1
266 1 37 LYS HA 1 37 LYS QE . . 5.340 4.466 4.380 4.557 . 0 0 "[ . 1 . 2]" 1
267 1 37 LYS HA 1 38 LEU H . . 3.510 2.264 2.221 2.327 . 0 0 "[ . 1 . 2]" 1
268 1 37 LYS HA 1 38 LEU HB2 . . 4.470 3.978 3.941 4.006 . 0 0 "[ . 1 . 2]" 1
269 1 37 LYS HA 1 82 HIS HA . . 4.330 2.398 2.244 2.582 . 0 0 "[ . 1 . 2]" 1
270 1 37 LYS HA 1 82 HIS HD2 . . 4.060 3.289 3.129 3.773 . 0 0 "[ . 1 . 2]" 1
271 1 37 LYS HA 1 83 PHE H . . 4.010 2.945 2.747 3.069 . 0 0 "[ . 1 . 2]" 1
272 1 37 LYS HA 1 110 LEU QD . . 5.440 5.097 4.711 5.472 0.032 16 0 "[ . 1 . 2]" 1
273 1 37 LYS HA 1 111 VAL H . . 5.150 4.798 4.613 4.896 . 0 0 "[ . 1 . 2]" 1
274 1 37 LYS HA 1 111 VAL HB . . 4.700 4.433 4.229 4.512 . 0 0 "[ . 1 . 2]" 1
275 1 37 LYS HA 1 111 VAL QG . . 5.440 4.648 4.450 4.776 . 0 0 "[ . 1 . 2]" 1
276 1 37 LYS HB2 1 37 LYS QE . . 4.670 2.668 2.425 2.881 . 0 0 "[ . 1 . 2]" 1
277 1 37 LYS HB2 1 38 LEU H . . 4.840 4.206 4.065 4.303 . 0 0 "[ . 1 . 2]" 1
278 1 37 LYS HB2 1 82 HIS HD2 . . 5.500 4.843 4.625 5.361 . 0 0 "[ . 1 . 2]" 1
279 1 37 LYS HB2 1 111 VAL HB . . 4.560 2.993 2.457 3.525 . 0 0 "[ . 1 . 2]" 1
280 1 37 LYS HB2 1 111 VAL QG . . 2.890 2.738 2.320 2.916 0.026 15 0 "[ . 1 . 2]" 1
281 1 37 LYS HB2 1 113 SER H . . 3.890 3.334 2.654 3.916 0.026 6 0 "[ . 1 . 2]" 1
282 1 37 LYS HB2 1 113 SER HA . . 3.960 2.949 2.105 3.310 . 0 0 "[ . 1 . 2]" 1
283 1 37 LYS HB2 1 113 SER QB . . 3.720 3.002 2.366 3.609 . 0 0 "[ . 1 . 2]" 1
284 1 37 LYS HB2 1 114 GLN H . . 5.500 5.308 4.510 5.515 0.015 10 0 "[ . 1 . 2]" 1
285 1 37 LYS HB3 1 37 LYS HE2 . . 5.310 3.526 2.934 3.912 . 0 0 "[ . 1 . 2]" 1
286 1 37 LYS HB3 1 37 LYS QE . . 4.520 2.622 2.359 3.117 . 0 0 "[ . 1 . 2]" 1
287 1 37 LYS HB3 1 37 LYS HE3 . . 5.310 2.722 2.395 3.332 . 0 0 "[ . 1 . 2]" 1
288 1 37 LYS HB3 1 38 LEU H . . 4.870 3.040 2.769 3.365 . 0 0 "[ . 1 . 2]" 1
289 1 37 LYS HB3 1 82 HIS HA . . 5.020 4.658 4.303 5.030 0.010 7 0 "[ . 1 . 2]" 1
290 1 37 LYS HB3 1 110 LEU HA . . 5.500 5.568 5.331 5.633 0.133 13 0 "[ . 1 . 2]" 1
291 1 37 LYS HB3 1 111 VAL HB . . 4.470 1.979 1.934 2.062 . 0 0 "[ . 1 . 2]" 1
292 1 37 LYS HB3 1 111 VAL QG . . 3.900 2.646 2.281 2.922 . 0 0 "[ . 1 . 2]" 1
293 1 37 LYS HD2 1 38 LEU H . . 5.130 3.710 3.267 4.169 . 0 0 "[ . 1 . 2]" 1
294 1 37 LYS HD2 1 81 VAL H . . 5.500 5.119 4.578 5.532 0.032 18 0 "[ . 1 . 2]" 1
295 1 37 LYS HD2 1 82 HIS HD2 . . 3.990 2.888 2.559 4.015 0.025 7 0 "[ . 1 . 2]" 1
296 1 37 LYS HD2 1 111 VAL QG . . 3.450 3.198 2.563 3.458 0.008 11 0 "[ . 1 . 2]" 1
297 1 37 LYS HD3 1 82 HIS HD2 . . 4.230 2.894 2.548 3.409 . 0 0 "[ . 1 . 2]" 1
298 1 37 LYS HD3 1 82 HIS HE1 . . 4.080 3.894 3.266 4.105 0.025 4 0 "[ . 1 . 2]" 1
299 1 37 LYS QE 1 37 LYS QG . . 3.220 2.167 1.986 2.276 . 0 0 "[ . 1 . 2]" 1
300 1 37 LYS QE 1 111 VAL QG . . 3.420 1.985 1.877 2.301 . 0 0 "[ . 1 . 2]" 1
301 1 37 LYS QE 1 113 SER QB . . 4.020 3.743 3.281 4.056 0.036 4 0 "[ . 1 . 2]" 1
302 1 37 LYS QG 1 38 LEU H . . 3.510 3.172 2.725 3.442 . 0 0 "[ . 1 . 2]" 1
303 1 37 LYS QG 1 82 HIS HA . . 4.520 2.998 2.747 3.211 . 0 0 "[ . 1 . 2]" 1
304 1 37 LYS QG 1 83 PHE H . . 4.410 4.179 3.981 4.359 . 0 0 "[ . 1 . 2]" 1
305 1 37 LYS QG 1 111 VAL QG . . 3.880 3.690 3.441 3.886 0.006 15 0 "[ . 1 . 2]" 1
306 1 38 LEU H 1 38 LEU HB2 . . 3.620 2.666 2.542 2.785 . 0 0 "[ . 1 . 2]" 1
307 1 38 LEU H 1 38 LEU MD1 . . 4.130 3.729 3.522 3.857 . 0 0 "[ . 1 . 2]" 1
308 1 38 LEU H 1 38 LEU HG . . 4.960 4.788 4.751 4.816 . 0 0 "[ . 1 . 2]" 1
309 1 38 LEU H 1 39 LEU H . . 4.370 4.038 3.931 4.113 . 0 0 "[ . 1 . 2]" 1
310 1 38 LEU H 1 81 VAL H . . 4.000 3.791 3.664 3.898 . 0 0 "[ . 1 . 2]" 1
311 1 38 LEU H 1 81 VAL MG1 . . 5.470 4.196 3.709 4.570 . 0 0 "[ . 1 . 2]" 1
312 1 38 LEU H 1 81 VAL QG . . 4.520 3.851 3.461 4.303 . 0 0 "[ . 1 . 2]" 1
313 1 38 LEU H 1 81 VAL MG2 . . 5.470 4.577 3.737 5.484 0.014 11 0 "[ . 1 . 2]" 1
314 1 38 LEU H 1 82 HIS H . . 4.860 4.722 4.605 4.885 0.025 7 0 "[ . 1 . 2]" 1
315 1 38 LEU H 1 82 HIS HA . . 4.020 2.611 2.422 2.768 . 0 0 "[ . 1 . 2]" 1
316 1 38 LEU H 1 82 HIS HB2 . . 5.500 5.444 5.209 5.637 0.137 7 0 "[ . 1 . 2]" 1
317 1 38 LEU H 1 82 HIS QB . . 4.660 4.351 4.115 4.685 0.025 7 0 "[ . 1 . 2]" 1
318 1 38 LEU H 1 82 HIS HB3 . . 5.500 4.577 4.298 5.008 . 0 0 "[ . 1 . 2]" 1
319 1 38 LEU H 1 82 HIS HD2 . . 4.500 2.799 2.522 3.235 . 0 0 "[ . 1 . 2]" 1
320 1 38 LEU H 1 83 PHE H . . 4.130 3.933 3.798 4.123 . 0 0 "[ . 1 . 2]" 1
321 1 38 LEU H 1 83 PHE HD1 . . 4.880 3.841 3.611 4.009 . 0 0 "[ . 1 . 2]" 1
322 1 38 LEU H 1 111 VAL H . . 4.780 4.548 4.362 4.676 . 0 0 "[ . 1 . 2]" 1
323 1 38 LEU HA 1 38 LEU MD1 . . 3.500 2.175 2.061 2.270 . 0 0 "[ . 1 . 2]" 1
324 1 38 LEU HA 1 39 LEU H . . 3.390 2.154 2.144 2.172 . 0 0 "[ . 1 . 2]" 1
325 1 38 LEU HA 1 109 GLN H . . 5.470 4.475 4.401 4.671 . 0 0 "[ . 1 . 2]" 1
326 1 38 LEU HA 1 110 LEU H . . 5.400 5.085 4.732 5.280 . 0 0 "[ . 1 . 2]" 1
327 1 38 LEU HA 1 110 LEU HA . . 4.350 2.817 2.411 3.020 . 0 0 "[ . 1 . 2]" 1
328 1 38 LEU HA 1 111 VAL H . . 3.810 2.886 2.692 3.034 . 0 0 "[ . 1 . 2]" 1
329 1 38 LEU HA 1 111 VAL QG . . 4.280 3.502 3.051 3.723 . 0 0 "[ . 1 . 2]" 1
330 1 38 LEU HB2 1 56 PHE HD2 . . 5.370 4.623 4.415 4.801 . 0 0 "[ . 1 . 2]" 1
331 1 38 LEU HB2 1 83 PHE H . . 4.920 3.994 3.862 4.207 . 0 0 "[ . 1 . 2]" 1
332 1 38 LEU HB2 1 89 ALA HA . . 4.600 4.320 3.905 4.618 0.018 10 0 "[ . 1 . 2]" 1
333 1 38 LEU HB2 1 89 ALA MB . . 3.620 3.378 2.976 3.642 0.022 8 0 "[ . 1 . 2]" 1
334 1 38 LEU HB3 1 39 LEU H . . 4.340 3.996 3.935 4.064 . 0 0 "[ . 1 . 2]" 1
335 1 38 LEU HB3 1 110 LEU HA . . 5.500 5.320 4.945 5.521 0.021 8 0 "[ . 1 . 2]" 1
336 1 38 LEU MD1 1 89 ALA MB . . 3.240 1.897 1.819 2.004 . 0 0 "[ . 1 . 2]" 1
337 1 38 LEU MD1 1 93 MET ME . . 2.750 2.550 2.012 2.766 0.016 11 0 "[ . 1 . 2]" 1
338 1 38 LEU MD1 1 108 ILE HA . . 5.500 5.462 5.189 5.545 0.045 8 0 "[ . 1 . 2]" 1
339 1 38 LEU MD1 1 110 LEU H . . 4.790 3.858 3.303 4.220 . 0 0 "[ . 1 . 2]" 1
340 1 38 LEU MD1 1 110 LEU HA . . 3.560 1.984 1.868 2.274 . 0 0 "[ . 1 . 2]" 1
341 1 38 LEU MD1 1 111 VAL H . . 4.940 3.127 2.832 3.425 . 0 0 "[ . 1 . 2]" 1
342 1 38 LEU MD2 1 56 PHE HB3 . . 5.500 4.457 4.222 4.781 . 0 0 "[ . 1 . 2]" 1
343 1 38 LEU MD2 1 56 PHE HD2 . . 3.570 2.727 2.484 3.067 . 0 0 "[ . 1 . 2]" 1
344 1 38 LEU MD2 1 89 ALA H . . 4.460 4.464 4.347 4.512 0.052 15 0 "[ . 1 . 2]" 1
345 1 38 LEU MD2 1 89 ALA HA . . 4.400 2.070 1.961 2.218 . 0 0 "[ . 1 . 2]" 1
346 1 38 LEU MD2 1 89 ALA MB . . 3.510 2.503 2.158 2.697 . 0 0 "[ . 1 . 2]" 1
347 1 38 LEU MD2 1 92 ALA H . . 4.870 4.528 4.237 4.738 . 0 0 "[ . 1 . 2]" 1
348 1 38 LEU MD2 1 92 ALA MB . . 3.620 3.072 2.843 3.205 . 0 0 "[ . 1 . 2]" 1
349 1 38 LEU MD2 1 93 MET H . . 3.690 3.397 3.186 3.576 . 0 0 "[ . 1 . 2]" 1
350 1 38 LEU MD2 1 93 MET HA . . 3.500 3.074 2.873 3.199 . 0 0 "[ . 1 . 2]" 1
351 1 38 LEU MD2 1 108 ILE HA . . 5.500 4.895 4.832 5.079 . 0 0 "[ . 1 . 2]" 1
352 1 38 LEU HG 1 39 LEU H . . 4.330 3.728 3.600 3.874 . 0 0 "[ . 1 . 2]" 1
353 1 38 LEU HG 1 56 PHE HD2 . . 5.400 5.203 4.990 5.405 0.005 5 0 "[ . 1 . 2]" 1
354 1 38 LEU HG 1 56 PHE HE2 . . 4.830 4.203 3.989 4.364 . 0 0 "[ . 1 . 2]" 1
355 1 38 LEU HG 1 89 ALA HA . . 5.110 4.888 4.699 5.114 0.004 13 0 "[ . 1 . 2]" 1
356 1 38 LEU HG 1 93 MET HA . . 4.870 4.455 4.211 4.619 . 0 0 "[ . 1 . 2]" 1
357 1 38 LEU HG 1 93 MET HG3 . . 4.970 4.953 4.592 5.030 0.060 8 0 "[ . 1 . 2]" 1
358 1 38 LEU HG 1 108 ILE HA . . 5.050 4.430 4.254 4.506 . 0 0 "[ . 1 . 2]" 1
359 1 38 LEU HG 1 110 LEU H . . 5.500 5.172 4.711 5.463 . 0 0 "[ . 1 . 2]" 1
360 1 38 LEU HG 1 110 LEU HA . . 4.500 3.781 3.544 3.984 . 0 0 "[ . 1 . 2]" 1
361 1 38 LEU HG 1 111 VAL H . . 5.500 5.043 4.800 5.272 . 0 0 "[ . 1 . 2]" 1
362 1 39 LEU H 1 39 LEU HB2 . . 3.770 3.193 3.082 3.649 . 0 0 "[ . 1 . 2]" 1
363 1 39 LEU H 1 39 LEU HB3 . . 3.330 2.243 2.206 2.460 . 0 0 "[ . 1 . 2]" 1
364 1 39 LEU H 1 39 LEU QD . . 4.350 3.740 3.250 3.790 . 0 0 "[ . 1 . 2]" 1
365 1 39 LEU H 1 109 GLN H . . 4.030 3.475 3.377 3.569 . 0 0 "[ . 1 . 2]" 1
366 1 39 LEU H 1 109 GLN HG3 . . 4.520 4.154 3.956 4.383 . 0 0 "[ . 1 . 2]" 1
367 1 39 LEU H 1 110 LEU H . . 5.360 5.001 4.903 5.111 . 0 0 "[ . 1 . 2]" 1
368 1 39 LEU H 1 110 LEU HA . . 3.860 3.759 3.527 3.883 0.023 7 0 "[ . 1 . 2]" 1
369 1 39 LEU H 1 111 VAL H . . 3.780 3.700 3.553 3.787 0.007 15 0 "[ . 1 . 2]" 1
370 1 39 LEU H 1 111 VAL HB . . 4.200 3.578 3.336 3.834 . 0 0 "[ . 1 . 2]" 1
371 1 39 LEU H 1 111 VAL QG . . 2.980 2.440 2.093 2.810 . 0 0 "[ . 1 . 2]" 1
372 1 39 LEU HA 1 39 LEU QD . . 3.460 2.247 2.151 3.141 . 0 0 "[ . 1 . 2]" 1
373 1 39 LEU HA 1 39 LEU HG . . 4.140 3.542 3.528 3.686 . 0 0 "[ . 1 . 2]" 1
374 1 39 LEU HA 1 40 VAL H . . 3.210 2.145 2.138 2.176 . 0 0 "[ . 1 . 2]" 1
375 1 39 LEU HA 1 81 VAL H . . 4.600 3.154 2.785 3.348 . 0 0 "[ . 1 . 2]" 1
376 1 39 LEU HB2 1 40 VAL H . . 4.370 4.083 3.240 4.208 . 0 0 "[ . 1 . 2]" 1
377 1 39 LEU HB2 1 80 ASP HB2 . . 5.500 5.403 4.762 5.530 0.030 14 0 "[ . 1 . 2]" 1
378 1 39 LEU HB2 1 111 VAL QG . . 3.180 2.539 2.225 3.302 0.122 15 0 "[ . 1 . 2]" 1
379 1 39 LEU HB3 1 39 LEU QD . . 2.910 2.212 2.063 2.252 . 0 0 "[ . 1 . 2]" 1
380 1 39 LEU HB3 1 39 LEU HG . . 2.920 2.445 2.408 2.637 . 0 0 "[ . 1 . 2]" 1
381 1 39 LEU HB3 1 40 VAL H . . 4.510 4.494 4.331 4.526 0.016 8 0 "[ . 1 . 2]" 1
382 1 39 LEU HB3 1 109 GLN HG3 . . 5.390 3.820 3.535 5.025 . 0 0 "[ . 1 . 2]" 1
383 1 39 LEU HB3 1 111 VAL QG . . 3.150 1.967 1.886 2.084 . 0 0 "[ . 1 . 2]" 1
384 1 39 LEU QD 1 40 VAL H . . 3.140 2.552 2.373 2.844 . 0 0 "[ . 1 . 2]" 1
385 1 39 LEU QD 1 41 SER HA . . 4.440 3.548 3.288 3.718 . 0 0 "[ . 1 . 2]" 1
386 1 39 LEU QD 1 41 SER HB2 . . 4.340 4.364 3.948 4.405 0.065 2 0 "[ . 1 . 2]" 1
387 1 39 LEU QD 1 41 SER HB3 . . 4.700 4.068 3.587 4.391 . 0 0 "[ . 1 . 2]" 1
388 1 39 LEU QD 1 78 THR MG . . 2.990 2.239 2.071 2.816 . 0 0 "[ . 1 . 2]" 1
389 1 39 LEU QD 1 80 ASP HA . . 4.440 3.191 2.948 4.310 . 0 0 "[ . 1 . 2]" 1
390 1 39 LEU QD 1 109 GLN HG2 . . 3.920 3.610 2.828 3.897 . 0 0 "[ . 1 . 2]" 1
391 1 39 LEU QD 1 109 GLN HG3 . . 4.290 3.988 2.802 4.263 . 0 0 "[ . 1 . 2]" 1
392 1 39 LEU HG 1 40 VAL H . . 4.770 3.969 3.846 4.300 . 0 0 "[ . 1 . 2]" 1
393 1 39 LEU HG 1 40 VAL HA . . 4.760 4.112 3.986 4.264 . 0 0 "[ . 1 . 2]" 1
394 1 39 LEU HG 1 109 GLN H . . 4.650 4.076 3.085 4.234 . 0 0 "[ . 1 . 2]" 1
395 1 39 LEU HG 1 109 GLN HB3 . . 3.930 2.795 1.971 3.047 . 0 0 "[ . 1 . 2]" 1
396 1 39 LEU HG 1 109 GLN HG2 . . 4.850 4.249 3.709 4.655 . 0 0 "[ . 1 . 2]" 1
397 1 39 LEU HG 1 109 GLN HG3 . . 5.220 4.615 3.477 4.960 . 0 0 "[ . 1 . 2]" 1
398 1 40 VAL H 1 40 VAL HB . . 3.910 2.753 2.670 2.853 . 0 0 "[ . 1 . 2]" 1
399 1 40 VAL H 1 40 VAL MG1 . . 4.010 3.821 3.789 3.869 . 0 0 "[ . 1 . 2]" 1
400 1 40 VAL H 1 40 VAL QG . . 3.200 2.195 1.951 2.383 . 0 0 "[ . 1 . 2]" 1
401 1 40 VAL H 1 40 VAL MG2 . . 4.010 2.209 1.957 2.406 . 0 0 "[ . 1 . 2]" 1
402 1 40 VAL H 1 41 SER H . . 4.570 4.512 4.381 4.562 . 0 0 "[ . 1 . 2]" 1
403 1 40 VAL H 1 41 SER HA . . 5.280 5.196 5.039 5.267 . 0 0 "[ . 1 . 2]" 1
404 1 40 VAL H 1 79 ALA H . . 3.910 3.781 3.492 3.897 . 0 0 "[ . 1 . 2]" 1
405 1 40 VAL H 1 80 ASP H . . 4.990 4.701 4.573 4.852 . 0 0 "[ . 1 . 2]" 1
406 1 40 VAL H 1 80 ASP HA . . 3.910 2.839 2.745 2.951 . 0 0 "[ . 1 . 2]" 1
407 1 40 VAL H 1 80 ASP HB2 . . 5.210 4.981 4.867 5.216 0.006 6 0 "[ . 1 . 2]" 1
408 1 40 VAL H 1 81 VAL H . . 4.410 3.711 3.570 3.984 . 0 0 "[ . 1 . 2]" 1
409 1 40 VAL H 1 81 VAL QG . . 4.450 3.595 3.257 4.335 . 0 0 "[ . 1 . 2]" 1
410 1 40 VAL H 1 108 ILE MD . . 5.500 5.516 5.392 5.624 0.124 8 0 "[ . 1 . 2]" 1
411 1 40 VAL H 1 109 GLN H . . 4.750 4.595 4.474 4.799 0.049 15 0 "[ . 1 . 2]" 1
412 1 40 VAL HA 1 40 VAL MG1 . . 3.570 2.196 2.087 2.273 . 0 0 "[ . 1 . 2]" 1
413 1 40 VAL HA 1 40 VAL QG . . 3.110 2.060 2.010 2.094 . 0 0 "[ . 1 . 2]" 1
414 1 40 VAL HA 1 40 VAL MG2 . . 3.570 2.507 2.428 2.620 . 0 0 "[ . 1 . 2]" 1
415 1 40 VAL HA 1 41 SER H . . 3.240 2.181 2.141 2.218 . 0 0 "[ . 1 . 2]" 1
416 1 40 VAL HA 1 79 ALA H . . 4.910 4.631 4.522 4.807 . 0 0 "[ . 1 . 2]" 1
417 1 40 VAL HA 1 108 ILE HA . . 4.050 2.230 2.117 2.287 . 0 0 "[ . 1 . 2]" 1
418 1 40 VAL HA 1 108 ILE HB . . 5.500 5.137 5.028 5.188 . 0 0 "[ . 1 . 2]" 1
419 1 40 VAL HA 1 108 ILE MD . . 4.260 3.554 3.405 3.761 . 0 0 "[ . 1 . 2]" 1
420 1 40 VAL HA 1 109 GLN H . . 3.510 3.042 2.913 3.249 . 0 0 "[ . 1 . 2]" 1
421 1 40 VAL HB 1 41 SER H . . 4.130 3.884 3.675 4.153 0.023 17 0 "[ . 1 . 2]" 1
422 1 40 VAL HB 1 43 LEU HG . . 5.170 3.664 3.377 3.961 . 0 0 "[ . 1 . 2]" 1
423 1 40 VAL HB 1 79 ALA H . . 4.630 2.829 2.679 3.020 . 0 0 "[ . 1 . 2]" 1
424 1 40 VAL HB 1 80 ASP H . . 5.500 4.835 4.651 5.012 . 0 0 "[ . 1 . 2]" 1
425 1 40 VAL HB 1 108 ILE HA . . 5.030 4.803 4.688 4.911 . 0 0 "[ . 1 . 2]" 1
426 1 40 VAL QG 1 41 SER H . . 3.170 2.226 1.995 2.571 . 0 0 "[ . 1 . 2]" 1
427 1 40 VAL QG 1 41 SER HA . . 4.390 3.889 3.728 4.060 . 0 0 "[ . 1 . 2]" 1
428 1 40 VAL QG 1 41 SER HB2 . . 4.940 4.608 4.385 4.867 . 0 0 "[ . 1 . 2]" 1
429 1 40 VAL QG 1 43 LEU HA . . 4.630 4.328 4.228 4.536 . 0 0 "[ . 1 . 2]" 1
430 1 40 VAL QG 1 43 LEU MD2 . . 3.340 1.828 1.805 1.852 . 0 0 "[ . 1 . 2]" 1
431 1 40 VAL QG 1 43 LEU HG . . 3.920 3.382 3.283 3.528 . 0 0 "[ . 1 . 2]" 1
432 1 40 VAL QG 1 56 PHE HE2 . . 4.090 2.541 2.245 2.828 . 0 0 "[ . 1 . 2]" 1
433 1 40 VAL QG 1 56 PHE HZ . . 3.520 2.524 2.281 2.800 . 0 0 "[ . 1 . 2]" 1
434 1 40 VAL QG 1 78 THR HA . . 4.960 4.438 4.338 4.564 . 0 0 "[ . 1 . 2]" 1
435 1 40 VAL QG 1 79 ALA H . . 4.070 3.558 3.494 3.654 . 0 0 "[ . 1 . 2]" 1
436 1 40 VAL QG 1 79 ALA MB . . 3.150 2.509 2.342 2.729 . 0 0 "[ . 1 . 2]" 1
437 1 40 VAL QG 1 80 ASP H . . 4.760 4.305 3.955 4.654 . 0 0 "[ . 1 . 2]" 1
438 1 40 VAL QG 1 81 VAL H . . 4.350 3.485 3.284 3.806 . 0 0 "[ . 1 . 2]" 1
439 1 40 VAL QG 1 81 VAL HB . . 4.500 3.686 3.091 4.265 . 0 0 "[ . 1 . 2]" 1
440 1 40 VAL QG 1 81 VAL QG . . 3.110 2.046 1.882 2.604 . 0 0 "[ . 1 . 2]" 1
441 1 40 VAL QG 1 106 MET HA . . 4.480 4.122 3.880 4.262 . 0 0 "[ . 1 . 2]" 1
442 1 40 VAL QG 1 106 MET HB3 . . 3.750 3.298 3.074 3.422 . 0 0 "[ . 1 . 2]" 1
443 1 40 VAL QG 1 106 MET HG3 . . 5.440 4.436 4.165 4.742 . 0 0 "[ . 1 . 2]" 1
444 1 40 VAL QG 1 107 ASP H . . 3.760 2.941 2.762 3.129 . 0 0 "[ . 1 . 2]" 1
445 1 40 VAL QG 1 108 ILE MD . . 2.860 1.845 1.813 1.877 . 0 0 "[ . 1 . 2]" 1
446 1 40 VAL QG 1 108 ILE HG13 . . 3.740 1.935 1.793 2.118 . 0 0 "[ . 1 . 2]" 1
447 1 40 VAL QG 1 108 ILE MG . . 3.320 3.101 2.919 3.307 . 0 0 "[ . 1 . 2]" 1
448 1 40 VAL QG 1 109 GLN H . . 3.940 3.545 3.424 3.692 . 0 0 "[ . 1 . 2]" 1
449 1 40 VAL MG1 1 41 SER H . . 4.270 2.236 1.999 2.594 . 0 0 "[ . 1 . 2]" 1
450 1 40 VAL MG1 1 56 PHE HZ . . 4.170 2.982 2.612 3.417 . 0 0 "[ . 1 . 2]" 1
451 1 40 VAL MG1 1 79 ALA H . . 5.040 3.850 3.707 4.009 . 0 0 "[ . 1 . 2]" 1
452 1 40 VAL MG1 1 108 ILE MD . . 3.500 1.862 1.825 1.896 . 0 0 "[ . 1 . 2]" 1
453 1 40 VAL MG1 1 108 ILE HG13 . . 4.470 2.311 2.077 2.466 . 0 0 "[ . 1 . 2]" 1
454 1 40 VAL MG1 1 109 GLN H . . 5.220 4.409 4.246 4.622 . 0 0 "[ . 1 . 2]" 1
455 1 40 VAL MG2 1 41 SER H . . 4.270 4.174 4.086 4.263 . 0 0 "[ . 1 . 2]" 1
456 1 40 VAL MG2 1 56 PHE HZ . . 4.170 2.754 2.393 2.977 . 0 0 "[ . 1 . 2]" 1
457 1 40 VAL MG2 1 79 ALA H . . 5.040 4.210 3.959 4.437 . 0 0 "[ . 1 . 2]" 1
458 1 40 VAL MG2 1 108 ILE MD . . 3.500 3.017 2.840 3.276 . 0 0 "[ . 1 . 2]" 1
459 1 40 VAL MG2 1 108 ILE HG13 . . 4.470 2.100 1.914 2.397 . 0 0 "[ . 1 . 2]" 1
460 1 40 VAL MG2 1 109 GLN H . . 5.220 3.743 3.572 3.990 . 0 0 "[ . 1 . 2]" 1
461 1 41 SER H 1 41 SER HB2 . . 4.070 2.863 2.726 3.016 . 0 0 "[ . 1 . 2]" 1
462 1 41 SER H 1 42 ASN H . . 4.500 4.457 4.424 4.511 0.011 17 0 "[ . 1 . 2]" 1
463 1 41 SER H 1 42 ASN QB . . 4.720 4.354 4.253 4.487 . 0 0 "[ . 1 . 2]" 1
464 1 41 SER H 1 43 LEU MD2 . . 3.580 3.135 2.965 3.374 . 0 0 "[ . 1 . 2]" 1
465 1 41 SER H 1 78 THR MG . . 4.460 4.161 4.119 4.204 . 0 0 "[ . 1 . 2]" 1
466 1 41 SER H 1 79 ALA H . . 4.820 4.538 4.308 4.812 . 0 0 "[ . 1 . 2]" 1
467 1 41 SER H 1 106 MET HA . . 5.380 5.222 4.940 5.409 0.029 19 0 "[ . 1 . 2]" 1
468 1 41 SER H 1 106 MET HB2 . . 5.480 4.674 4.451 4.941 . 0 0 "[ . 1 . 2]" 1
469 1 41 SER H 1 107 ASP H . . 4.010 3.170 2.929 3.323 . 0 0 "[ . 1 . 2]" 1
470 1 41 SER H 1 107 ASP QB . . 4.020 3.511 3.374 3.664 . 0 0 "[ . 1 . 2]" 1
471 1 41 SER H 1 108 ILE H . . 5.070 4.876 4.794 4.981 . 0 0 "[ . 1 . 2]" 1
472 1 41 SER H 1 108 ILE HA . . 5.130 3.434 3.289 3.546 . 0 0 "[ . 1 . 2]" 1
473 1 41 SER H 1 108 ILE MD . . 4.320 4.048 3.834 4.316 . 0 0 "[ . 1 . 2]" 1
474 1 41 SER H 1 108 ILE HG13 . . 5.500 4.855 4.648 5.025 . 0 0 "[ . 1 . 2]" 1
475 1 41 SER H 1 109 GLN H . . 4.530 4.451 4.295 4.543 0.013 9 0 "[ . 1 . 2]" 1
476 1 41 SER H 1 109 GLN HB2 . . 5.500 5.342 5.082 5.521 0.021 8 0 "[ . 1 . 2]" 1
477 1 41 SER H 1 109 GLN HB3 . . 5.500 5.169 4.934 5.364 . 0 0 "[ . 1 . 2]" 1
478 1 41 SER HA 1 42 ASN HA . . 4.800 4.570 4.543 4.620 . 0 0 "[ . 1 . 2]" 1
479 1 41 SER HA 1 43 LEU H . . 4.780 3.677 3.423 3.943 . 0 0 "[ . 1 . 2]" 1
480 1 41 SER HA 1 43 LEU MD1 . . 5.450 5.256 5.124 5.333 . 0 0 "[ . 1 . 2]" 1
481 1 41 SER HA 1 43 LEU HG . . 4.910 4.909 4.831 4.971 0.061 15 0 "[ . 1 . 2]" 1
482 1 41 SER HA 1 78 THR MG . . 3.140 1.974 1.948 2.008 . 0 0 "[ . 1 . 2]" 1
483 1 41 SER HA 1 79 ALA H . . 4.790 3.134 2.916 3.359 . 0 0 "[ . 1 . 2]" 1
484 1 41 SER HB2 1 42 ASN H . . 3.660 3.228 2.999 3.389 . 0 0 "[ . 1 . 2]" 1
485 1 41 SER HB2 1 42 ASN HA . . 5.040 4.889 4.632 5.079 0.039 8 0 "[ . 1 . 2]" 1
486 1 41 SER HB2 1 42 ASN HB2 . . 4.990 3.797 3.586 4.008 . 0 0 "[ . 1 . 2]" 1
487 1 41 SER HB2 1 42 ASN QB . . 4.220 3.492 3.304 3.661 . 0 0 "[ . 1 . 2]" 1
488 1 41 SER HB2 1 42 ASN HB3 . . 4.990 4.079 3.841 4.336 . 0 0 "[ . 1 . 2]" 1
489 1 41 SER HB2 1 43 LEU H . . 5.500 5.528 5.450 5.550 0.050 14 0 "[ . 1 . 2]" 1
490 1 41 SER HB2 1 78 THR MG . . 4.250 4.077 3.860 4.268 0.018 11 0 "[ . 1 . 2]" 1
491 1 41 SER HB2 1 107 ASP HB2 . . 5.010 3.486 3.117 4.074 . 0 0 "[ . 1 . 2]" 1
492 1 41 SER HB2 1 107 ASP QB . . 4.340 3.212 3.048 3.374 . 0 0 "[ . 1 . 2]" 1
493 1 41 SER HB2 1 107 ASP HB3 . . 5.010 4.007 3.183 4.912 . 0 0 "[ . 1 . 2]" 1
494 1 41 SER HB3 1 42 ASN H . . 3.540 2.414 2.182 2.662 . 0 0 "[ . 1 . 2]" 1
495 1 41 SER HB3 1 42 ASN HA . . 4.750 4.480 4.211 4.767 0.017 17 0 "[ . 1 . 2]" 1
496 1 41 SER HB3 1 42 ASN QB . . 4.610 3.944 3.744 4.223 . 0 0 "[ . 1 . 2]" 1
497 1 41 SER HB3 1 43 LEU H . . 5.370 4.954 4.666 5.288 . 0 0 "[ . 1 . 2]" 1
498 1 41 SER HB3 1 78 THR MG . . 3.230 3.007 2.809 3.117 . 0 0 "[ . 1 . 2]" 1
499 1 41 SER HB3 1 79 ALA H . . 5.460 5.386 5.184 5.482 0.022 7 0 "[ . 1 . 2]" 1
500 1 41 SER HB3 1 107 ASP QB . . 5.210 4.676 4.371 4.884 . 0 0 "[ . 1 . 2]" 1
501 1 42 ASN H 1 42 ASN HD21 . . 5.500 5.537 5.475 5.667 0.167 18 0 "[ . 1 . 2]" 1
502 1 42 ASN H 1 43 LEU H . . 3.890 2.750 2.664 2.897 . 0 0 "[ . 1 . 2]" 1
503 1 42 ASN H 1 43 LEU HA . . 5.270 5.200 5.180 5.254 . 0 0 "[ . 1 . 2]" 1
504 1 42 ASN H 1 43 LEU HB2 . . 4.880 4.649 4.580 4.753 . 0 0 "[ . 1 . 2]" 1
505 1 42 ASN H 1 43 LEU MD2 . . 4.510 3.294 3.192 3.431 . 0 0 "[ . 1 . 2]" 1
506 1 42 ASN H 1 78 THR HB . . 5.500 5.540 5.504 5.638 0.138 18 0 "[ . 1 . 2]" 1
507 1 42 ASN H 1 78 THR MG . . 3.650 3.610 3.456 3.676 0.026 11 0 "[ . 1 . 2]" 1
508 1 42 ASN H 1 79 ALA H . . 5.240 5.202 5.067 5.309 0.069 15 0 "[ . 1 . 2]" 1
509 1 42 ASN HA 1 42 ASN HD21 . . 4.520 4.292 4.190 4.440 . 0 0 "[ . 1 . 2]" 1
510 1 42 ASN HA 1 42 ASN HD22 . . 4.980 4.590 4.523 4.660 . 0 0 "[ . 1 . 2]" 1
511 1 42 ASN HA 1 78 THR MG . . 5.500 5.506 5.323 5.540 0.040 18 0 "[ . 1 . 2]" 1
512 1 42 ASN QB 1 106 MET HA . . 4.390 2.656 2.287 2.839 . 0 0 "[ . 1 . 2]" 1
513 1 42 ASN QB 1 107 ASP H . . 3.320 2.702 2.489 2.865 . 0 0 "[ . 1 . 2]" 1
514 1 42 ASN QB 1 107 ASP QB . . 4.430 2.815 2.587 3.565 . 0 0 "[ . 1 . 2]" 1
515 1 42 ASN HB2 1 43 LEU H . . 5.310 4.639 4.612 4.657 . 0 0 "[ . 1 . 2]" 1
516 1 42 ASN HB3 1 43 LEU H . . 5.310 4.294 4.188 4.386 . 0 0 "[ . 1 . 2]" 1
517 1 42 ASN HD21 1 105 PRO HA . . 5.020 4.719 4.627 4.820 . 0 0 "[ . 1 . 2]" 1
518 1 42 ASN HD21 1 105 PRO HB2 . . 4.300 3.115 2.933 3.169 . 0 0 "[ . 1 . 2]" 1
519 1 42 ASN HD21 1 105 PRO HD2 . . 5.500 5.490 5.316 5.529 0.029 11 0 "[ . 1 . 2]" 1
520 1 42 ASN HD21 1 105 PRO QG . . 4.370 3.591 3.399 3.642 . 0 0 "[ . 1 . 2]" 1
521 1 42 ASN HD21 1 106 MET HA . . 4.570 2.327 2.188 2.624 . 0 0 "[ . 1 . 2]" 1
522 1 42 ASN HD21 1 107 ASP H . . 3.720 3.648 3.491 3.736 0.016 17 0 "[ . 1 . 2]" 1
523 1 42 ASN HD22 1 105 PRO HA . . 4.790 4.844 4.810 4.877 0.087 5 0 "[ . 1 . 2]" 1
524 1 42 ASN HD22 1 105 PRO HB2 . . 3.360 2.713 2.608 2.818 . 0 0 "[ . 1 . 2]" 1
525 1 42 ASN HD22 1 105 PRO HD2 . . 4.800 4.479 4.287 4.607 . 0 0 "[ . 1 . 2]" 1
526 1 42 ASN HD22 1 105 PRO HD3 . . 5.350 5.303 5.149 5.383 0.033 19 0 "[ . 1 . 2]" 1
527 1 42 ASN HD22 1 105 PRO QG . . 4.560 2.370 2.197 2.465 . 0 0 "[ . 1 . 2]" 1
528 1 42 ASN HD22 1 106 MET H . . 4.810 4.816 4.775 4.868 0.058 8 0 "[ . 1 . 2]" 1
529 1 42 ASN HD22 1 107 ASP H . . 5.460 5.355 5.202 5.435 . 0 0 "[ . 1 . 2]" 1
530 1 43 LEU H 1 43 LEU HB2 . . 3.540 2.232 2.189 2.274 . 0 0 "[ . 1 . 2]" 1
531 1 43 LEU H 1 43 LEU MD2 . . 3.880 2.206 2.054 2.316 . 0 0 "[ . 1 . 2]" 1
532 1 43 LEU H 1 43 LEU HG . . 4.270 4.063 3.982 4.123 . 0 0 "[ . 1 . 2]" 1
533 1 43 LEU H 1 44 ASP H . . 4.970 4.512 4.476 4.543 . 0 0 "[ . 1 . 2]" 1
534 1 43 LEU H 1 77 GLY H . . 4.870 4.752 4.564 4.899 0.029 13 0 "[ . 1 . 2]" 1
535 1 43 LEU H 1 77 GLY HA2 . . 4.710 2.911 2.698 3.109 . 0 0 "[ . 1 . 2]" 1
536 1 43 LEU H 1 77 GLY HA3 . . 4.020 3.587 3.423 3.819 . 0 0 "[ . 1 . 2]" 1
537 1 43 LEU H 1 78 THR H . . 4.660 3.857 3.640 3.990 . 0 0 "[ . 1 . 2]" 1
538 1 43 LEU H 1 78 THR HA . . 4.930 2.988 2.837 3.080 . 0 0 "[ . 1 . 2]" 1
539 1 43 LEU H 1 78 THR HB . . 5.500 5.550 5.473 5.609 0.109 4 0 "[ . 1 . 2]" 1
540 1 43 LEU HA 1 43 LEU MD1 . . 4.610 2.155 2.015 2.297 . 0 0 "[ . 1 . 2]" 1
541 1 43 LEU HA 1 43 LEU HG . . 4.170 3.709 3.695 3.717 . 0 0 "[ . 1 . 2]" 1
542 1 43 LEU HA 1 44 ASP QB . . 4.700 4.060 3.883 4.697 . 0 0 "[ . 1 . 2]" 1
543 1 43 LEU HB2 1 43 LEU MD2 . . 3.510 2.346 2.289 2.377 . 0 0 "[ . 1 . 2]" 1
544 1 43 LEU HB2 1 77 GLY H . . 4.140 3.778 3.635 3.956 . 0 0 "[ . 1 . 2]" 1
545 1 43 LEU HB3 1 43 LEU MD1 . . 3.190 2.259 2.180 2.348 . 0 0 "[ . 1 . 2]" 1
546 1 43 LEU HB3 1 44 ASP H . . 4.190 2.057 1.953 2.166 . 0 0 "[ . 1 . 2]" 1
547 1 43 LEU HB3 1 77 GLY H . . 4.850 4.604 4.337 4.850 . 0 0 "[ . 1 . 2]" 1
548 1 43 LEU MD1 1 44 ASP H . . 4.060 2.529 2.439 2.640 . 0 0 "[ . 1 . 2]" 1
549 1 43 LEU MD1 1 47 VAL QG . . 3.430 1.977 1.775 2.549 . 0 0 "[ . 1 . 2]" 1
550 1 43 LEU MD1 1 78 THR HA . . 5.500 4.645 4.506 4.872 . 0 0 "[ . 1 . 2]" 1
551 1 43 LEU MD1 1 79 ALA H . . 5.420 4.453 4.210 4.671 . 0 0 "[ . 1 . 2]" 1
552 1 43 LEU MD1 1 79 ALA MB . . 3.430 2.692 2.468 2.887 . 0 0 "[ . 1 . 2]" 1
553 1 43 LEU MD1 1 106 MET H . . 5.500 5.443 5.204 5.534 0.034 14 0 "[ . 1 . 2]" 1
554 1 43 LEU MD1 1 106 MET HA . . 4.780 4.138 3.874 4.291 . 0 0 "[ . 1 . 2]" 1
555 1 43 LEU MD1 1 106 MET HB2 . . 5.150 3.114 2.815 3.345 . 0 0 "[ . 1 . 2]" 1
556 1 43 LEU MD1 1 106 MET HB3 . . 4.270 2.396 2.126 2.573 . 0 0 "[ . 1 . 2]" 1
557 1 43 LEU MD1 1 106 MET HG2 . . 4.930 3.629 3.466 3.854 . 0 0 "[ . 1 . 2]" 1
558 1 43 LEU MD1 1 106 MET HG3 . . 5.390 4.521 4.293 4.660 . 0 0 "[ . 1 . 2]" 1
559 1 43 LEU MD2 1 77 GLY HA3 . . 5.500 5.147 4.997 5.290 . 0 0 "[ . 1 . 2]" 1
560 1 43 LEU MD2 1 78 THR H . . 4.780 4.028 3.910 4.176 . 0 0 "[ . 1 . 2]" 1
561 1 43 LEU MD2 1 106 MET H . . 5.500 5.574 5.541 5.624 0.124 14 0 "[ . 1 . 2]" 1
562 1 43 LEU MD2 1 106 MET HB2 . . 5.020 2.959 2.823 3.204 . 0 0 "[ . 1 . 2]" 1
563 1 43 LEU MD2 1 106 MET HB3 . . 5.500 2.604 2.495 2.738 . 0 0 "[ . 1 . 2]" 1
564 1 43 LEU MD2 1 108 ILE HA . . 5.500 5.058 4.874 5.241 . 0 0 "[ . 1 . 2]" 1
565 1 43 LEU HG 1 44 ASP H . . 4.840 4.303 4.204 4.366 . 0 0 "[ . 1 . 2]" 1
566 1 43 LEU HG 1 47 VAL QG . . 4.540 3.575 3.207 4.427 . 0 0 "[ . 1 . 2]" 1
567 1 43 LEU HG 1 67 VAL HA . . 5.360 4.722 4.406 4.907 . 0 0 "[ . 1 . 2]" 1
568 1 43 LEU HG 1 67 VAL HB . . 5.500 4.249 3.938 5.525 0.025 8 0 "[ . 1 . 2]" 1
569 1 43 LEU HG 1 77 GLY HA2 . . 5.310 5.192 5.003 5.358 0.048 11 0 "[ . 1 . 2]" 1
570 1 43 LEU HG 1 78 THR H . . 4.830 4.141 3.966 4.320 . 0 0 "[ . 1 . 2]" 1
571 1 43 LEU HG 1 78 THR HA . . 4.550 3.508 3.275 3.823 . 0 0 "[ . 1 . 2]" 1
572 1 43 LEU HG 1 78 THR MG . . 5.200 4.721 4.429 4.974 . 0 0 "[ . 1 . 2]" 1
573 1 43 LEU HG 1 79 ALA H . . 4.080 3.231 2.895 3.491 . 0 0 "[ . 1 . 2]" 1
574 1 43 LEU HG 1 106 MET HB3 . . 5.410 4.931 4.757 5.019 . 0 0 "[ . 1 . 2]" 1
575 1 44 ASP H 1 44 ASP HB2 . . 4.140 2.784 2.413 3.750 . 0 0 "[ . 1 . 2]" 1
576 1 44 ASP H 1 44 ASP QB . . 3.630 2.569 2.362 3.187 . 0 0 "[ . 1 . 2]" 1
577 1 44 ASP H 1 44 ASP HB3 . . 4.140 3.254 2.686 3.878 . 0 0 "[ . 1 . 2]" 1
578 1 44 ASP H 1 45 PHE H . . 4.610 4.459 4.400 4.505 . 0 0 "[ . 1 . 2]" 1
579 1 44 ASP H 1 47 VAL H . . 4.710 3.902 3.690 4.183 . 0 0 "[ . 1 . 2]" 1
580 1 44 ASP H 1 47 VAL HB . . 4.680 4.708 4.210 4.859 0.179 18 0 "[ . 1 . 2]" 1
581 1 44 ASP H 1 47 VAL QG . . 4.640 2.120 1.968 2.481 . 0 0 "[ . 1 . 2]" 1
582 1 44 ASP H 1 67 VAL QG . . 5.270 4.464 4.105 4.624 . 0 0 "[ . 1 . 2]" 1
583 1 44 ASP HA 1 45 PHE H . . 3.110 2.486 2.378 2.536 . 0 0 "[ . 1 . 2]" 1
584 1 44 ASP HA 1 45 PHE HB3 . . 4.750 4.765 4.694 4.829 0.079 18 0 "[ . 1 . 2]" 1
585 1 44 ASP HA 1 45 PHE HD1 . . 5.500 5.464 5.323 5.599 0.099 11 0 "[ . 1 . 2]" 1
586 1 44 ASP HA 1 45 PHE HD2 . . 5.280 4.961 4.773 5.253 . 0 0 "[ . 1 . 2]" 1
587 1 44 ASP QB 1 45 PHE H . . 3.780 2.599 2.176 3.253 . 0 0 "[ . 1 . 2]" 1
588 1 44 ASP QB 1 45 PHE HA . . 5.200 4.393 4.222 4.731 . 0 0 "[ . 1 . 2]" 1
589 1 44 ASP QB 1 46 GLY H . . 4.130 2.209 1.994 2.605 . 0 0 "[ . 1 . 2]" 1
590 1 44 ASP QB 1 47 VAL H . . 4.240 3.192 2.599 3.786 . 0 0 "[ . 1 . 2]" 1
591 1 44 ASP QB 1 47 VAL QG . . 4.970 2.720 2.271 3.375 . 0 0 "[ . 1 . 2]" 1
592 1 45 PHE H 1 45 PHE HB2 . . 3.650 3.567 3.553 3.585 . 0 0 "[ . 1 . 2]" 1
593 1 45 PHE H 1 45 PHE HB3 . . 3.540 2.968 2.882 3.017 . 0 0 "[ . 1 . 2]" 1
594 1 45 PHE H 1 45 PHE HD1 . . 4.210 3.054 2.896 3.274 . 0 0 "[ . 1 . 2]" 1
595 1 45 PHE H 1 45 PHE HD2 . . 4.320 3.407 3.216 3.524 . 0 0 "[ . 1 . 2]" 1
596 1 45 PHE H 1 46 GLY H . . 3.670 2.605 2.503 2.645 . 0 0 "[ . 1 . 2]" 1
597 1 45 PHE H 1 47 VAL H . . 4.930 4.539 4.387 4.751 . 0 0 "[ . 1 . 2]" 1
598 1 45 PHE H 1 75 SER H . . 5.050 4.933 4.438 5.091 0.041 11 0 "[ . 1 . 2]" 1
599 1 45 PHE HA 1 45 PHE HD1 . . 4.920 3.910 3.849 3.955 . 0 0 "[ . 1 . 2]" 1
600 1 45 PHE HA 1 45 PHE HD2 . . 4.520 4.402 4.367 4.454 . 0 0 "[ . 1 . 2]" 1
601 1 45 PHE HA 1 47 VAL H . . 4.500 4.223 3.525 4.549 0.049 4 0 "[ . 1 . 2]" 1
602 1 45 PHE HA 1 75 SER QB . . 3.430 2.222 1.975 2.596 . 0 0 "[ . 1 . 2]" 1
603 1 45 PHE HB2 1 46 GLY H . . 4.450 4.243 4.085 4.294 . 0 0 "[ . 1 . 2]" 1
604 1 45 PHE HB2 1 75 SER H . . 4.490 3.432 3.045 3.775 . 0 0 "[ . 1 . 2]" 1
605 1 45 PHE HB2 1 75 SER HB2 . . 5.500 4.813 4.301 5.548 0.048 8 0 "[ . 1 . 2]" 1
606 1 45 PHE HB2 1 75 SER QB . . 4.720 4.357 4.115 4.667 . 0 0 "[ . 1 . 2]" 1
607 1 45 PHE HB2 1 75 SER HB3 . . 5.500 5.069 4.539 5.764 0.264 11 0 "[ . 1 . 2]" 1
608 1 45 PHE HB3 1 45 PHE HE1 . . 5.430 5.465 5.462 5.467 0.037 11 0 "[ . 1 . 2]" 1
609 1 45 PHE HB3 1 46 GLY H . . 4.400 4.546 4.444 4.581 0.181 14 0 "[ . 1 . 2]" 1
610 1 45 PHE HB3 1 75 SER H . . 4.640 3.124 2.536 3.390 . 0 0 "[ . 1 . 2]" 1
611 1 45 PHE HB3 1 75 SER QB . . 4.410 3.709 3.407 3.905 . 0 0 "[ . 1 . 2]" 1
612 1 45 PHE HD2 1 75 SER H . . 5.500 5.326 4.661 5.586 0.086 8 0 "[ . 1 . 2]" 1
613 1 46 GLY H 1 47 VAL H . . 3.540 2.218 2.068 2.443 . 0 0 "[ . 1 . 2]" 1
614 1 46 GLY H 1 47 VAL HA . . 5.500 4.882 4.740 5.087 . 0 0 "[ . 1 . 2]" 1
615 1 46 GLY H 1 47 VAL HB . . 5.460 5.557 5.033 5.837 0.377 18 0 "[ . 1 . 2]" 1
616 1 46 GLY H 1 47 VAL MG1 . . 5.500 4.535 4.166 5.524 0.024 20 0 "[ . 1 . 2]" 1
617 1 46 GLY H 1 47 VAL QG . . 4.540 3.045 2.835 3.208 . 0 0 "[ . 1 . 2]" 1
618 1 46 GLY H 1 47 VAL MG2 . . 5.500 3.103 2.879 3.263 . 0 0 "[ . 1 . 2]" 1
619 1 46 GLY H 1 75 SER QB . . 5.340 4.211 3.969 4.516 . 0 0 "[ . 1 . 2]" 1
620 1 46 GLY QA 1 47 VAL QG . . 5.280 3.539 3.348 3.618 . 0 0 "[ . 1 . 2]" 1
621 1 47 VAL H 1 47 VAL HB . . 3.570 3.465 3.014 3.592 0.022 10 0 "[ . 1 . 2]" 1
622 1 47 VAL H 1 47 VAL MG1 . . 3.870 2.928 2.561 3.758 . 0 0 "[ . 1 . 2]" 1
623 1 47 VAL H 1 47 VAL QG . . 3.130 1.879 1.822 1.916 . 0 0 "[ . 1 . 2]" 1
624 1 47 VAL H 1 47 VAL MG2 . . 3.870 1.911 1.851 1.964 . 0 0 "[ . 1 . 2]" 1
625 1 47 VAL H 1 48 SER H . . 4.760 4.525 4.385 4.621 . 0 0 "[ . 1 . 2]" 1
626 1 47 VAL H 1 104 ARG HE . . 4.810 2.705 2.215 3.457 . 0 0 "[ . 1 . 2]" 1
627 1 47 VAL HA 1 47 VAL MG1 . . 3.690 2.183 2.110 2.239 . 0 0 "[ . 1 . 2]" 1
628 1 47 VAL HA 1 47 VAL MG2 . . 3.690 3.088 2.747 3.188 . 0 0 "[ . 1 . 2]" 1
629 1 47 VAL HA 1 48 SER H . . 3.440 2.196 2.139 2.414 . 0 0 "[ . 1 . 2]" 1
630 1 47 VAL HA 1 52 ILE MD . . 4.380 3.703 3.420 4.213 . 0 0 "[ . 1 . 2]" 1
631 1 47 VAL HB 1 48 SER H . . 4.470 3.278 2.941 3.481 . 0 0 "[ . 1 . 2]" 1
632 1 47 VAL HB 1 52 ILE MD . . 3.970 2.095 1.879 2.871 . 0 0 "[ . 1 . 2]" 1
633 1 47 VAL HB 1 104 ARG HE . . 5.070 5.192 5.080 5.298 0.228 1 0 "[ . 1 . 2]" 1
634 1 47 VAL QG 1 48 SER H . . 3.550 3.213 1.992 3.554 0.004 19 0 "[ . 1 . 2]" 1
635 1 47 VAL QG 1 48 SER QB . . 5.060 4.679 3.977 4.941 . 0 0 "[ . 1 . 2]" 1
636 1 47 VAL QG 1 51 ASP HB2 . . 5.150 4.109 3.127 4.514 . 0 0 "[ . 1 . 2]" 1
637 1 47 VAL QG 1 51 ASP HB3 . . 3.990 3.121 1.971 3.508 . 0 0 "[ . 1 . 2]" 1
638 1 47 VAL QG 1 52 ILE H . . 4.510 4.471 3.594 4.713 0.203 12 0 "[ . 1 . 2]" 1
639 1 47 VAL QG 1 52 ILE MD . . 3.060 2.173 1.713 2.345 . 0 0 "[ . 1 . 2]" 1
640 1 47 VAL QG 1 75 SER H . . 5.440 5.212 4.964 5.539 0.099 15 0 "[ . 1 . 2]" 1
641 1 47 VAL QG 1 75 SER QB . . 4.050 3.357 3.109 3.878 . 0 0 "[ . 1 . 2]" 1
642 1 47 VAL QG 1 101 LEU QB . . 3.890 2.664 2.442 2.903 . 0 0 "[ . 1 . 2]" 1
643 1 47 VAL QG 1 101 LEU HG . . 3.660 2.624 2.345 2.806 . 0 0 "[ . 1 . 2]" 1
644 1 47 VAL QG 1 106 MET HG2 . . 4.870 4.103 3.873 4.421 . 0 0 "[ . 1 . 2]" 1
645 1 47 VAL MG1 1 48 SER H . . 4.400 3.408 1.997 3.843 . 0 0 "[ . 1 . 2]" 1
646 1 47 VAL MG1 1 52 ILE MD . . 3.670 2.273 1.719 2.503 . 0 0 "[ . 1 . 2]" 1
647 1 47 VAL MG2 1 48 SER H . . 4.400 4.179 4.060 4.272 . 0 0 "[ . 1 . 2]" 1
648 1 47 VAL MG2 1 52 ILE MD . . 3.670 2.944 2.680 3.302 . 0 0 "[ . 1 . 2]" 1
649 1 48 SER H 1 49 ASP H . . 4.630 4.515 4.404 4.556 . 0 0 "[ . 1 . 2]" 1
650 1 48 SER H 1 50 ALA MB . . 5.500 5.165 4.814 5.507 0.007 15 0 "[ . 1 . 2]" 1
651 1 48 SER H 1 51 ASP H . . 4.370 3.576 3.375 3.790 . 0 0 "[ . 1 . 2]" 1
652 1 48 SER H 1 51 ASP HA . . 5.160 4.982 4.787 5.156 . 0 0 "[ . 1 . 2]" 1
653 1 48 SER H 1 51 ASP HB2 . . 3.990 2.421 2.164 2.633 . 0 0 "[ . 1 . 2]" 1
654 1 48 SER H 1 51 ASP HB3 . . 4.190 2.705 2.448 2.972 . 0 0 "[ . 1 . 2]" 1
655 1 48 SER H 1 52 ILE H . . 4.310 4.228 4.052 4.334 0.024 17 0 "[ . 1 . 2]" 1
656 1 48 SER H 1 52 ILE MD . . 4.510 3.491 3.175 3.706 . 0 0 "[ . 1 . 2]" 1
657 1 48 SER H 1 52 ILE HG12 . . 5.070 4.151 3.841 4.299 . 0 0 "[ . 1 . 2]" 1
658 1 48 SER H 1 52 ILE HG13 . . 5.450 5.396 5.011 5.518 0.068 8 0 "[ . 1 . 2]" 1
659 1 48 SER H 1 67 VAL QG . . 4.320 4.378 4.318 4.445 0.125 18 0 "[ . 1 . 2]" 1
660 1 48 SER HA 1 49 ASP H . . 3.460 2.302 2.238 2.350 . 0 0 "[ . 1 . 2]" 1
661 1 48 SER HA 1 49 ASP HA . . 4.560 4.295 4.291 4.303 . 0 0 "[ . 1 . 2]" 1
662 1 48 SER HA 1 49 ASP QB . . 4.970 4.661 4.185 4.774 . 0 0 "[ . 1 . 2]" 1
663 1 48 SER HA 1 50 ALA H . . 4.800 4.462 4.189 4.676 . 0 0 "[ . 1 . 2]" 1
664 1 48 SER HA 1 50 ALA MB . . 5.500 5.358 5.191 5.521 0.021 9 0 "[ . 1 . 2]" 1
665 1 48 SER HA 1 52 ILE MD . . 4.860 4.797 4.703 4.902 0.042 15 0 "[ . 1 . 2]" 1
666 1 48 SER HA 1 52 ILE HG12 . . 5.050 4.583 4.465 4.765 . 0 0 "[ . 1 . 2]" 1
667 1 48 SER HA 1 67 VAL QG . . 4.460 2.795 2.521 3.494 . 0 0 "[ . 1 . 2]" 1
668 1 48 SER QB 1 49 ASP H . . 3.490 2.893 2.572 3.495 0.005 18 0 "[ . 1 . 2]" 1
669 1 48 SER QB 1 50 ALA H . . 3.920 3.146 2.521 3.849 . 0 0 "[ . 1 . 2]" 1
670 1 48 SER QB 1 50 ALA MB . . 4.570 3.449 2.995 3.909 . 0 0 "[ . 1 . 2]" 1
671 1 48 SER QB 1 51 ASP H . . 4.690 3.185 2.530 3.775 . 0 0 "[ . 1 . 2]" 1
672 1 48 SER QB 1 67 VAL QG . . 5.270 4.155 3.809 4.640 . 0 0 "[ . 1 . 2]" 1
673 1 48 SER HB2 1 49 ASP H . . 4.220 3.254 2.616 4.072 . 0 0 "[ . 1 . 2]" 1
674 1 48 SER HB2 1 50 ALA MB . . 5.200 4.001 3.212 4.956 . 0 0 "[ . 1 . 2]" 1
675 1 48 SER HB3 1 49 ASP H . . 4.220 3.670 2.684 4.148 . 0 0 "[ . 1 . 2]" 1
676 1 48 SER HB3 1 50 ALA MB . . 5.200 4.178 3.078 4.985 . 0 0 "[ . 1 . 2]" 1
677 1 49 ASP H 1 49 ASP HB2 . . 3.730 3.106 2.398 3.575 . 0 0 "[ . 1 . 2]" 1
678 1 49 ASP H 1 49 ASP HB3 . . 3.730 3.119 2.694 3.601 . 0 0 "[ . 1 . 2]" 1
679 1 49 ASP H 1 50 ALA H . . 3.770 3.003 2.879 3.112 . 0 0 "[ . 1 . 2]" 1
680 1 49 ASP H 1 50 ALA MB . . 4.780 4.570 4.451 4.654 . 0 0 "[ . 1 . 2]" 1
681 1 49 ASP H 1 51 ASP H . . 4.640 4.450 4.303 4.644 0.004 14 0 "[ . 1 . 2]" 1
682 1 49 ASP H 1 52 ILE H . . 5.020 4.945 4.891 4.988 . 0 0 "[ . 1 . 2]" 1
683 1 49 ASP H 1 52 ILE MD . . 5.500 5.300 5.237 5.395 . 0 0 "[ . 1 . 2]" 1
684 1 49 ASP H 1 52 ILE HG12 . . 4.530 4.370 4.272 4.462 . 0 0 "[ . 1 . 2]" 1
685 1 49 ASP H 1 52 ILE HG13 . . 5.500 5.385 5.184 5.537 0.037 18 0 "[ . 1 . 2]" 1
686 1 49 ASP H 1 67 VAL H . . 4.470 4.034 3.771 4.460 . 0 0 "[ . 1 . 2]" 1
687 1 49 ASP H 1 67 VAL HB . . 4.960 4.705 4.176 5.022 0.062 18 0 "[ . 1 . 2]" 1
688 1 49 ASP H 1 67 VAL MG1 . . 5.330 2.587 2.251 5.302 . 0 0 "[ . 1 . 2]" 1
689 1 49 ASP H 1 67 VAL QG . . 3.790 2.489 2.247 3.464 . 0 0 "[ . 1 . 2]" 1
690 1 49 ASP H 1 67 VAL MG2 . . 5.330 4.862 3.511 5.138 . 0 0 "[ . 1 . 2]" 1
691 1 49 ASP H 1 69 TYR HE1 . . 4.130 3.950 3.645 4.139 0.009 18 0 "[ . 1 . 2]" 1
692 1 49 ASP HA 1 52 ILE MD . . 4.360 4.384 4.286 4.470 0.110 19 0 "[ . 1 . 2]" 1
693 1 49 ASP HA 1 52 ILE HG12 . . 4.210 2.832 2.728 2.923 . 0 0 "[ . 1 . 2]" 1
694 1 49 ASP HA 1 52 ILE MG . . 4.860 4.565 4.376 4.777 . 0 0 "[ . 1 . 2]" 1
695 1 49 ASP HA 1 66 ALA HA . . 3.850 3.112 2.839 3.285 . 0 0 "[ . 1 . 2]" 1
696 1 49 ASP HA 1 66 ALA MB . . 4.560 4.538 4.282 4.658 0.098 1 0 "[ . 1 . 2]" 1
697 1 49 ASP HA 1 67 VAL H . . 4.040 2.531 2.391 2.716 . 0 0 "[ . 1 . 2]" 1
698 1 49 ASP HA 1 67 VAL MG1 . . 5.120 2.379 2.071 5.122 0.002 8 0 "[ . 1 . 2]" 1
699 1 49 ASP HA 1 67 VAL QG . . 3.580 2.239 2.069 2.399 . 0 0 "[ . 1 . 2]" 1
700 1 49 ASP HA 1 67 VAL MG2 . . 5.120 4.624 2.404 4.873 . 0 0 "[ . 1 . 2]" 1
701 1 49 ASP QB 1 50 ALA MB . . 4.020 3.974 3.724 4.188 0.168 11 0 "[ . 1 . 2]" 1
702 1 49 ASP QB 1 51 ASP H . . 5.340 4.917 4.678 5.075 . 0 0 "[ . 1 . 2]" 1
703 1 49 ASP QB 1 52 ILE H . . 5.340 4.946 4.848 5.171 . 0 0 "[ . 1 . 2]" 1
704 1 49 ASP QB 1 66 ALA HA . . 4.520 2.488 2.019 3.554 . 0 0 "[ . 1 . 2]" 1
705 1 49 ASP QB 1 66 ALA MB . . 4.880 3.228 2.765 3.988 . 0 0 "[ . 1 . 2]" 1
706 1 49 ASP QB 1 67 VAL H . . 4.550 2.747 2.246 3.171 . 0 0 "[ . 1 . 2]" 1
707 1 49 ASP QB 1 67 VAL QG . . 4.380 2.844 2.274 3.532 . 0 0 "[ . 1 . 2]" 1
708 1 49 ASP HB2 1 50 ALA H . . 3.710 2.918 2.481 3.738 0.028 18 0 "[ . 1 . 2]" 1
709 1 49 ASP HB3 1 50 ALA H . . 3.710 3.672 2.368 3.927 0.217 11 0 "[ . 1 . 2]" 1
710 1 50 ALA H 1 50 ALA MB . . 3.020 2.129 2.029 2.233 . 0 0 "[ . 1 . 2]" 1
711 1 50 ALA H 1 51 ASP H . . 3.800 2.832 2.728 2.914 . 0 0 "[ . 1 . 2]" 1
712 1 50 ALA H 1 51 ASP HB2 . . 4.940 4.787 4.655 4.882 . 0 0 "[ . 1 . 2]" 1
713 1 50 ALA H 1 51 ASP HB3 . . 5.500 5.459 5.315 5.527 0.027 11 0 "[ . 1 . 2]" 1
714 1 50 ALA HA 1 52 ILE HG12 . . 5.500 5.680 5.623 5.730 0.230 3 0 "[ . 1 . 2]" 1
715 1 50 ALA HA 1 53 GLN H . . 3.670 3.340 3.268 3.402 . 0 0 "[ . 1 . 2]" 1
716 1 50 ALA HA 1 53 GLN HA . . 5.160 5.099 5.003 5.216 0.056 17 0 "[ . 1 . 2]" 1
717 1 50 ALA HA 1 53 GLN HB2 . . 4.080 3.100 2.295 3.868 . 0 0 "[ . 1 . 2]" 1
718 1 50 ALA HA 1 53 GLN QB . . 3.540 2.267 2.177 2.379 . 0 0 "[ . 1 . 2]" 1
719 1 50 ALA HA 1 53 GLN HB3 . . 4.080 2.900 2.197 3.942 . 0 0 "[ . 1 . 2]" 1
720 1 50 ALA HA 1 53 GLN QG . . 3.730 3.256 2.479 3.784 0.054 14 0 "[ . 1 . 2]" 1
721 1 50 ALA MB 1 51 ASP H . . 3.390 2.439 2.324 2.593 . 0 0 "[ . 1 . 2]" 1
722 1 50 ALA MB 1 52 ILE H . . 4.800 4.510 4.415 4.614 . 0 0 "[ . 1 . 2]" 1
723 1 50 ALA MB 1 53 GLN H . . 4.650 4.486 4.439 4.536 . 0 0 "[ . 1 . 2]" 1
724 1 50 ALA MB 1 53 GLN QB . . 4.000 3.697 3.609 3.851 . 0 0 "[ . 1 . 2]" 1
725 1 50 ALA MB 1 53 GLN QG . . 4.730 4.234 3.985 4.587 . 0 0 "[ . 1 . 2]" 1
726 1 50 ALA MB 1 54 GLU H . . 4.850 4.531 4.379 4.634 . 0 0 "[ . 1 . 2]" 1
727 1 51 ASP H 1 51 ASP HB2 . . 3.720 2.162 2.111 2.183 . 0 0 "[ . 1 . 2]" 1
728 1 51 ASP H 1 51 ASP HB3 . . 3.970 2.990 2.954 3.085 . 0 0 "[ . 1 . 2]" 1
729 1 51 ASP H 1 52 ILE H . . 3.840 2.824 2.794 2.861 . 0 0 "[ . 1 . 2]" 1
730 1 51 ASP H 1 52 ILE MD . . 4.340 4.288 4.227 4.377 0.037 17 0 "[ . 1 . 2]" 1
731 1 51 ASP H 1 52 ILE HG12 . . 4.070 4.087 4.043 4.115 0.045 9 0 "[ . 1 . 2]" 1
732 1 51 ASP H 1 53 GLN H . . 4.280 4.137 4.091 4.207 . 0 0 "[ . 1 . 2]" 1
733 1 51 ASP HA 1 52 ILE HA . . 4.900 4.738 4.726 4.753 . 0 0 "[ . 1 . 2]" 1
734 1 51 ASP HA 1 55 LEU HB2 . . 5.080 4.796 4.730 5.033 . 0 0 "[ . 1 . 2]" 1
735 1 51 ASP HB2 1 52 ILE H . . 3.940 3.501 3.409 3.542 . 0 0 "[ . 1 . 2]" 1
736 1 51 ASP HB2 1 52 ILE MD . . 4.240 3.716 3.575 3.840 . 0 0 "[ . 1 . 2]" 1
737 1 51 ASP HB2 1 52 ILE HG12 . . 5.440 4.483 4.349 4.547 . 0 0 "[ . 1 . 2]" 1
738 1 51 ASP HB3 1 52 ILE H . . 4.350 2.581 2.491 2.659 . 0 0 "[ . 1 . 2]" 1
739 1 51 ASP HB3 1 52 ILE MD . . 4.500 2.174 2.100 2.311 . 0 0 "[ . 1 . 2]" 1
740 1 51 ASP HB3 1 52 ILE MG . . 5.500 4.967 4.896 5.022 . 0 0 "[ . 1 . 2]" 1
741 1 51 ASP HB3 1 55 LEU H . . 5.500 5.491 5.391 5.533 0.033 8 0 "[ . 1 . 2]" 1
742 1 51 ASP HB3 1 55 LEU HB2 . . 5.500 4.909 4.787 5.101 . 0 0 "[ . 1 . 2]" 1
743 1 51 ASP HB3 1 55 LEU QD . . 4.840 3.444 3.198 3.716 . 0 0 "[ . 1 . 2]" 1
744 1 51 ASP HB3 1 67 VAL QG . . 5.440 5.284 4.705 5.436 . 0 0 "[ . 1 . 2]" 1
745 1 52 ILE H 1 52 ILE HB . . 3.750 2.791 2.763 2.826 . 0 0 "[ . 1 . 2]" 1
746 1 52 ILE H 1 52 ILE MD . . 3.730 2.500 2.452 2.603 . 0 0 "[ . 1 . 2]" 1
747 1 52 ILE H 1 52 ILE HG12 . . 3.630 1.873 1.835 1.892 . 0 0 "[ . 1 . 2]" 1
748 1 52 ILE H 1 52 ILE HG13 . . 4.070 3.456 3.423 3.475 . 0 0 "[ . 1 . 2]" 1
749 1 52 ILE H 1 52 ILE MG . . 3.750 3.742 3.728 3.751 0.001 20 0 "[ . 1 . 2]" 1
750 1 52 ILE H 1 53 GLN H . . 3.810 2.559 2.529 2.588 . 0 0 "[ . 1 . 2]" 1
751 1 52 ILE H 1 53 GLN QB . . 4.490 4.284 4.169 4.449 . 0 0 "[ . 1 . 2]" 1
752 1 52 ILE H 1 55 LEU H . . 4.930 4.660 4.596 4.728 . 0 0 "[ . 1 . 2]" 1
753 1 52 ILE H 1 55 LEU QD . . 4.790 4.411 4.185 4.597 . 0 0 "[ . 1 . 2]" 1
754 1 52 ILE H 1 65 ALA MB . . 4.520 4.594 4.500 4.719 0.199 11 0 "[ . 1 . 2]" 1
755 1 52 ILE H 1 67 VAL QG . . 4.590 4.599 3.991 4.731 0.141 6 0 "[ . 1 . 2]" 1
756 1 52 ILE HA 1 52 ILE MD . . 3.510 2.147 2.067 2.271 . 0 0 "[ . 1 . 2]" 1
757 1 52 ILE HA 1 52 ILE MG . . 3.600 2.232 2.076 2.289 . 0 0 "[ . 1 . 2]" 1
758 1 52 ILE HA 1 55 LEU H . . 4.080 3.402 3.324 3.533 . 0 0 "[ . 1 . 2]" 1
759 1 52 ILE HA 1 55 LEU HB2 . . 4.430 2.239 2.154 2.379 . 0 0 "[ . 1 . 2]" 1
760 1 52 ILE HA 1 55 LEU HB3 . . 4.550 3.661 3.530 3.893 . 0 0 "[ . 1 . 2]" 1
761 1 52 ILE HA 1 55 LEU MD1 . . 5.260 3.240 3.108 3.325 . 0 0 "[ . 1 . 2]" 1
762 1 52 ILE HA 1 55 LEU QD . . 3.850 3.199 3.075 3.282 . 0 0 "[ . 1 . 2]" 1
763 1 52 ILE HA 1 55 LEU MD2 . . 5.260 4.947 4.872 5.051 . 0 0 "[ . 1 . 2]" 1
764 1 52 ILE HA 1 56 PHE HD1 . . 4.360 2.807 2.724 2.976 . 0 0 "[ . 1 . 2]" 1
765 1 52 ILE HA 1 65 ALA MB . . 4.480 4.382 4.220 4.628 0.148 11 0 "[ . 1 . 2]" 1
766 1 52 ILE HB 1 53 GLN H . . 3.440 2.683 2.599 2.758 . 0 0 "[ . 1 . 2]" 1
767 1 52 ILE HB 1 81 VAL MG1 . . 5.280 4.724 4.466 5.017 . 0 0 "[ . 1 . 2]" 1
768 1 52 ILE HB 1 81 VAL QG . . 4.210 3.957 3.283 4.400 0.190 18 0 "[ . 1 . 2]" 1
769 1 52 ILE HB 1 81 VAL MG2 . . 5.280 4.482 3.336 5.393 0.113 7 0 "[ . 1 . 2]" 1
770 1 52 ILE MD 1 52 ILE MG . . 2.870 2.035 1.963 2.202 . 0 0 "[ . 1 . 2]" 1
771 1 52 ILE MD 1 53 GLN H . . 4.360 4.339 4.308 4.396 0.036 17 0 "[ . 1 . 2]" 1
772 1 52 ILE MD 1 55 LEU HB3 . . 4.870 4.481 4.369 4.678 . 0 0 "[ . 1 . 2]" 1
773 1 52 ILE MD 1 55 LEU QD . . 3.570 3.037 2.946 3.183 . 0 0 "[ . 1 . 2]" 1
774 1 52 ILE MD 1 56 PHE HD1 . . 4.410 4.112 4.025 4.210 . 0 0 "[ . 1 . 2]" 1
775 1 52 ILE MD 1 56 PHE HE1 . . 3.900 3.279 3.185 3.462 . 0 0 "[ . 1 . 2]" 1
776 1 52 ILE MD 1 56 PHE HZ . . 4.920 4.611 4.446 4.879 . 0 0 "[ . 1 . 2]" 1
777 1 52 ILE MD 1 67 VAL H . . 5.410 5.485 5.367 5.548 0.138 17 0 "[ . 1 . 2]" 1
778 1 52 ILE MD 1 67 VAL HB . . 5.060 3.901 3.681 5.223 0.163 8 0 "[ . 1 . 2]" 1
779 1 52 ILE HG12 1 52 ILE MG . . 3.640 3.192 3.179 3.195 . 0 0 "[ . 1 . 2]" 1
780 1 52 ILE HG12 1 53 GLN H . . 4.000 3.744 3.678 3.813 . 0 0 "[ . 1 . 2]" 1
781 1 52 ILE HG12 1 55 LEU HB2 . . 5.500 5.517 5.424 5.658 0.158 11 0 "[ . 1 . 2]" 1
782 1 52 ILE HG12 1 67 VAL H . . 5.110 4.560 4.500 4.680 . 0 0 "[ . 1 . 2]" 1
783 1 52 ILE HG13 1 52 ILE MG . . 3.610 2.285 2.182 2.340 . 0 0 "[ . 1 . 2]" 1
784 1 52 ILE HG13 1 53 GLN H . . 5.010 4.827 4.764 4.879 . 0 0 "[ . 1 . 2]" 1
785 1 52 ILE HG13 1 67 VAL H . . 4.670 4.308 4.207 4.366 . 0 0 "[ . 1 . 2]" 1
786 1 52 ILE HG13 1 67 VAL MG1 . . 4.690 3.603 3.475 4.153 . 0 0 "[ . 1 . 2]" 1
787 1 52 ILE HG13 1 67 VAL QG . . 3.580 3.236 1.952 3.388 . 0 0 "[ . 1 . 2]" 1
788 1 52 ILE HG13 1 67 VAL MG2 . . 4.690 3.802 1.956 4.142 . 0 0 "[ . 1 . 2]" 1
789 1 52 ILE MG 1 53 GLN H . . 4.080 3.846 3.790 3.897 . 0 0 "[ . 1 . 2]" 1
790 1 52 ILE MG 1 56 PHE H . . 4.330 4.254 4.186 4.370 0.040 8 0 "[ . 1 . 2]" 1
791 1 52 ILE MG 1 56 PHE HB2 . . 4.490 3.054 2.962 3.279 . 0 0 "[ . 1 . 2]" 1
792 1 52 ILE MG 1 56 PHE HB3 . . 4.460 4.058 3.971 4.251 . 0 0 "[ . 1 . 2]" 1
793 1 52 ILE MG 1 56 PHE HD1 . . 3.750 2.697 2.616 2.820 . 0 0 "[ . 1 . 2]" 1
794 1 52 ILE MG 1 56 PHE HE1 . . 4.060 2.490 2.404 2.671 . 0 0 "[ . 1 . 2]" 1
795 1 52 ILE MG 1 56 PHE HZ . . 5.010 3.342 3.179 3.605 . 0 0 "[ . 1 . 2]" 1
796 1 52 ILE MG 1 62 LEU MD1 . . 5.460 4.548 3.903 4.819 . 0 0 "[ . 1 . 2]" 1
797 1 52 ILE MG 1 62 LEU QD . . 4.590 3.805 3.741 3.867 . 0 0 "[ . 1 . 2]" 1
798 1 52 ILE MG 1 62 LEU MD2 . . 5.460 4.181 3.989 4.988 . 0 0 "[ . 1 . 2]" 1
799 1 52 ILE MG 1 65 ALA HA . . 4.350 4.270 4.079 4.400 0.050 9 0 "[ . 1 . 2]" 1
800 1 52 ILE MG 1 65 ALA MB . . 2.960 2.660 2.434 2.933 . 0 0 "[ . 1 . 2]" 1
801 1 52 ILE MG 1 67 VAL H . . 5.270 5.009 4.893 5.130 . 0 0 "[ . 1 . 2]" 1
802 1 52 ILE MG 1 79 ALA MB . . 3.830 2.985 2.825 3.140 . 0 0 "[ . 1 . 2]" 1
803 1 52 ILE MG 1 81 VAL HA . . 5.040 5.031 4.865 5.210 0.170 19 0 "[ . 1 . 2]" 1
804 1 52 ILE MG 1 81 VAL MG1 . . 3.560 3.004 2.616 3.498 . 0 0 "[ . 1 . 2]" 1
805 1 52 ILE MG 1 81 VAL QG . . 3.000 2.422 1.946 2.766 . 0 0 "[ . 1 . 2]" 1
806 1 52 ILE MG 1 81 VAL MG2 . . 3.560 2.943 1.958 3.688 0.128 7 0 "[ . 1 . 2]" 1
807 1 52 ILE MG 1 96 TYR QE . . 5.470 4.721 4.518 5.087 . 0 0 "[ . 1 . 2]" 1
808 1 53 GLN H 1 53 GLN HB2 . . 3.610 2.732 2.270 3.112 . 0 0 "[ . 1 . 2]" 1
809 1 53 GLN H 1 53 GLN QB . . 3.000 2.175 2.058 2.338 . 0 0 "[ . 1 . 2]" 1
810 1 53 GLN H 1 53 GLN HB3 . . 3.610 2.710 2.088 3.572 . 0 0 "[ . 1 . 2]" 1
811 1 53 GLN H 1 53 GLN HG2 . . 4.250 3.770 3.063 4.505 0.255 16 0 "[ . 1 . 2]" 1
812 1 53 GLN H 1 53 GLN QG . . 3.470 3.276 2.495 3.905 0.435 14 0 "[ . 1 . 2]" 1
813 1 53 GLN H 1 53 GLN HG3 . . 4.250 3.695 2.585 4.424 0.174 12 0 "[ . 1 . 2]" 1
814 1 53 GLN H 1 54 GLU H . . 3.730 2.892 2.790 3.021 . 0 0 "[ . 1 . 2]" 1
815 1 53 GLN H 1 55 LEU H . . 4.640 4.022 3.922 4.112 . 0 0 "[ . 1 . 2]" 1
816 1 53 GLN H 1 55 LEU QD . . 5.440 5.416 5.250 5.508 0.068 19 0 "[ . 1 . 2]" 1
817 1 53 GLN H 1 65 ALA MB . . 3.740 2.982 2.838 3.104 . 0 0 "[ . 1 . 2]" 1
818 1 53 GLN HA 1 53 GLN QG . . 3.390 2.646 2.130 3.346 . 0 0 "[ . 1 . 2]" 1
819 1 53 GLN HA 1 56 PHE H . . 4.170 3.731 3.547 3.810 . 0 0 "[ . 1 . 2]" 1
820 1 53 GLN HA 1 57 ALA H . . 4.720 4.368 4.194 4.470 . 0 0 "[ . 1 . 2]" 1
821 1 53 GLN HA 1 57 ALA MB . . 4.040 3.643 3.575 3.703 . 0 0 "[ . 1 . 2]" 1
822 1 53 GLN HA 1 62 LEU QD . . 4.530 2.207 1.909 2.303 . 0 0 "[ . 1 . 2]" 1
823 1 53 GLN HA 1 62 LEU HG . . 4.390 4.547 4.453 4.622 0.232 19 0 "[ . 1 . 2]" 1
824 1 53 GLN HA 1 65 ALA MB . . 3.490 1.869 1.830 1.952 . 0 0 "[ . 1 . 2]" 1
825 1 53 GLN HA 1 81 VAL MG1 . . 5.500 4.970 3.990 5.684 0.184 18 0 "[ . 1 . 2]" 1
826 1 53 GLN HA 1 81 VAL QG . . 4.490 4.111 3.644 4.554 0.064 1 0 "[ . 1 . 2]" 1
827 1 53 GLN HA 1 81 VAL MG2 . . 5.500 4.565 4.091 4.960 . 0 0 "[ . 1 . 2]" 1
828 1 53 GLN QB 1 54 GLU H . . 3.220 2.552 2.231 2.819 . 0 0 "[ . 1 . 2]" 1
829 1 53 GLN QB 1 54 GLU HA . . 4.780 4.252 3.787 4.610 . 0 0 "[ . 1 . 2]" 1
830 1 53 GLN QB 1 57 ALA MB . . 4.400 3.852 3.348 4.208 . 0 0 "[ . 1 . 2]" 1
831 1 53 GLN QB 1 62 LEU QD . . 3.980 3.272 2.760 3.495 . 0 0 "[ . 1 . 2]" 1
832 1 53 GLN QB 1 62 LEU HG . . 5.340 5.465 5.342 5.618 0.278 9 0 "[ . 1 . 2]" 1
833 1 53 GLN QB 1 65 ALA MB . . 3.510 2.892 2.277 3.358 . 0 0 "[ . 1 . 2]" 1
834 1 53 GLN HE21 1 54 GLU HA . . 5.500 5.166 3.497 5.561 0.061 19 0 "[ . 1 . 2]" 1
835 1 53 GLN HE21 1 57 ALA MB . . 3.940 3.424 2.514 3.961 0.021 20 0 "[ . 1 . 2]" 1
836 1 53 GLN HE21 1 62 LEU HB3 . . 5.500 4.850 3.511 5.458 . 0 0 "[ . 1 . 2]" 1
837 1 53 GLN HE21 1 62 LEU QD . . 4.020 3.382 2.227 4.061 0.041 2 0 "[ . 1 . 2]" 1
838 1 53 GLN HE22 1 53 GLN QG . . 3.530 3.320 3.217 3.453 . 0 0 "[ . 1 . 2]" 1
839 1 53 GLN HE22 1 57 ALA MB . . 5.390 4.451 2.105 5.317 . 0 0 "[ . 1 . 2]" 1
840 1 53 GLN QG 1 54 GLU H . . 4.600 3.126 2.293 4.190 . 0 0 "[ . 1 . 2]" 1
841 1 53 GLN QG 1 57 ALA MB . . 4.630 3.502 2.526 4.703 0.073 1 0 "[ . 1 . 2]" 1
842 1 53 GLN QG 1 62 LEU QD . . 4.250 3.169 2.706 3.957 . 0 0 "[ . 1 . 2]" 1
843 1 53 GLN QG 1 65 ALA H . . 5.140 4.144 2.259 5.218 0.078 11 0 "[ . 1 . 2]" 1
844 1 53 GLN QG 1 65 ALA MB . . 4.160 3.087 1.895 4.225 0.065 19 0 "[ . 1 . 2]" 1
845 1 53 GLN HG2 1 54 GLU H . . 5.380 3.639 2.333 4.850 . 0 0 "[ . 1 . 2]" 1
846 1 53 GLN HG3 1 54 GLU H . . 5.380 3.728 2.401 4.626 . 0 0 "[ . 1 . 2]" 1
847 1 54 GLU H 1 54 GLU HB2 . . 3.590 2.529 2.493 2.566 . 0 0 "[ . 1 . 2]" 1
848 1 54 GLU H 1 54 GLU HB3 . . 3.400 2.541 2.516 2.564 . 0 0 "[ . 1 . 2]" 1
849 1 54 GLU H 1 54 GLU QG . . 4.440 3.973 3.968 3.980 . 0 0 "[ . 1 . 2]" 1
850 1 54 GLU H 1 55 LEU H . . 3.580 2.569 2.501 2.671 . 0 0 "[ . 1 . 2]" 1
851 1 54 GLU H 1 55 LEU HB2 . . 4.720 4.539 4.442 4.641 . 0 0 "[ . 1 . 2]" 1
852 1 54 GLU H 1 55 LEU MD1 . . 5.500 5.556 5.513 5.608 0.108 6 0 "[ . 1 . 2]" 1
853 1 54 GLU H 1 55 LEU MD2 . . 5.500 5.621 5.586 5.677 0.177 8 0 "[ . 1 . 2]" 1
854 1 54 GLU H 1 57 ALA MB . . 4.480 4.081 3.871 4.198 . 0 0 "[ . 1 . 2]" 1
855 1 54 GLU HA 1 54 GLU HG2 . . 3.960 3.075 3.009 3.158 . 0 0 "[ . 1 . 2]" 1
856 1 54 GLU HA 1 54 GLU QG . . 3.380 2.433 2.405 2.470 . 0 0 "[ . 1 . 2]" 1
857 1 54 GLU HA 1 54 GLU HG3 . . 3.960 2.551 2.497 2.625 . 0 0 "[ . 1 . 2]" 1
858 1 54 GLU HA 1 57 ALA H . . 3.860 3.072 2.975 3.268 . 0 0 "[ . 1 . 2]" 1
859 1 54 GLU HA 1 57 ALA MB . . 3.410 2.184 1.956 2.394 . 0 0 "[ . 1 . 2]" 1
860 1 54 GLU HA 1 58 GLU H . . 3.720 2.923 2.802 3.177 . 0 0 "[ . 1 . 2]" 1
861 1 54 GLU HA 1 62 LEU QD . . 4.400 4.239 4.107 4.346 . 0 0 "[ . 1 . 2]" 1
862 1 54 GLU HA 2 7 TRP HZ2 . . 5.500 5.748 5.695 5.792 0.292 17 0 "[ . 1 . 2]" 1
863 1 54 GLU HB2 1 55 LEU H . . 4.100 3.895 3.842 3.951 . 0 0 "[ . 1 . 2]" 1
864 1 54 GLU HB3 1 55 LEU H . . 3.710 2.678 2.588 2.796 . 0 0 "[ . 1 . 2]" 1
865 1 54 GLU HB3 1 55 LEU HA . . 4.820 4.253 4.210 4.305 . 0 0 "[ . 1 . 2]" 1
866 1 54 GLU HB3 1 55 LEU HB2 . . 4.760 4.620 4.578 4.672 . 0 0 "[ . 1 . 2]" 1
867 1 54 GLU HB3 1 56 PHE H . . 5.170 4.719 4.654 4.798 . 0 0 "[ . 1 . 2]" 1
868 1 54 GLU QG 1 55 LEU H . . 4.350 3.764 3.693 3.859 . 0 0 "[ . 1 . 2]" 1
869 1 54 GLU QG 1 55 LEU HB2 . . 5.340 5.417 5.373 5.444 0.104 8 0 "[ . 1 . 2]" 1
870 1 54 GLU QG 1 55 LEU QD . . 4.580 3.800 3.612 3.876 . 0 0 "[ . 1 . 2]" 1
871 1 54 GLU QG 1 57 ALA MB . . 5.040 3.819 3.671 3.999 . 0 0 "[ . 1 . 2]" 1
872 1 54 GLU QG 1 58 GLU H . . 4.820 3.512 3.352 3.803 . 0 0 "[ . 1 . 2]" 1
873 1 54 GLU QG 1 58 GLU HB2 . . 4.450 3.355 3.162 3.917 . 0 0 "[ . 1 . 2]" 1
874 1 54 GLU QG 2 7 TRP HH2 . . 5.340 4.155 4.034 4.269 . 0 0 "[ . 1 . 2]" 1
875 1 54 GLU QG 2 7 TRP HZ2 . . 3.930 3.414 3.336 3.485 . 0 0 "[ . 1 . 2]" 1
876 1 55 LEU H 1 55 LEU HB2 . . 3.450 2.242 2.203 2.276 . 0 0 "[ . 1 . 2]" 1
877 1 55 LEU H 1 55 LEU HB3 . . 3.590 3.529 3.508 3.550 . 0 0 "[ . 1 . 2]" 1
878 1 55 LEU H 1 55 LEU MD1 . . 3.990 3.851 3.786 3.910 . 0 0 "[ . 1 . 2]" 1
879 1 55 LEU H 1 55 LEU MD2 . . 3.990 3.667 3.591 3.769 . 0 0 "[ . 1 . 2]" 1
880 1 55 LEU H 1 55 LEU HG . . 4.530 2.803 2.675 2.921 . 0 0 "[ . 1 . 2]" 1
881 1 55 LEU H 1 56 PHE H . . 3.580 2.544 2.448 2.617 . 0 0 "[ . 1 . 2]" 1
882 1 55 LEU H 1 56 PHE HA . . 5.400 5.184 5.103 5.254 . 0 0 "[ . 1 . 2]" 1
883 1 55 LEU H 1 56 PHE HB2 . . 5.030 4.600 4.473 4.730 . 0 0 "[ . 1 . 2]" 1
884 1 55 LEU H 1 56 PHE HE1 . . 5.500 5.395 5.279 5.510 0.010 8 0 "[ . 1 . 2]" 1
885 1 55 LEU H 1 57 ALA H . . 4.280 3.846 3.776 3.892 . 0 0 "[ . 1 . 2]" 1
886 1 55 LEU H 1 57 ALA MB . . 4.930 4.642 4.541 4.721 . 0 0 "[ . 1 . 2]" 1
887 1 55 LEU H 1 58 GLU H . . 5.390 4.895 4.777 5.002 . 0 0 "[ . 1 . 2]" 1
888 1 55 LEU H 1 62 LEU QD . . 5.010 4.789 4.609 4.880 . 0 0 "[ . 1 . 2]" 1
889 1 55 LEU H 2 7 TRP HH2 . . 5.500 4.657 4.596 4.727 . 0 0 "[ . 1 . 2]" 1
890 1 55 LEU HA 1 55 LEU MD1 . . 3.920 3.802 3.786 3.819 . 0 0 "[ . 1 . 2]" 1
891 1 55 LEU HA 1 55 LEU QD . . 3.250 1.991 1.934 2.079 . 0 0 "[ . 1 . 2]" 1
892 1 55 LEU HA 1 55 LEU MD2 . . 3.920 1.998 1.940 2.088 . 0 0 "[ . 1 . 2]" 1
893 1 55 LEU HA 1 58 GLU H . . 4.590 4.459 4.252 4.621 0.031 8 0 "[ . 1 . 2]" 1
894 1 55 LEU HA 1 58 GLU HB2 . . 5.060 3.883 3.708 4.146 . 0 0 "[ . 1 . 2]" 1
895 1 55 LEU HA 2 7 TRP HH2 . . 4.060 1.889 1.835 1.939 . 0 0 "[ . 1 . 2]" 1
896 1 55 LEU HA 2 7 TRP HZ2 . . 4.040 3.739 3.642 3.834 . 0 0 "[ . 1 . 2]" 1
897 1 55 LEU HB2 1 55 LEU MD1 . . 3.510 2.412 2.367 2.438 . 0 0 "[ . 1 . 2]" 1
898 1 55 LEU HB2 1 55 LEU MD2 . . 3.510 3.192 3.189 3.194 . 0 0 "[ . 1 . 2]" 1
899 1 55 LEU HB2 1 56 PHE H . . 3.590 3.338 3.271 3.394 . 0 0 "[ . 1 . 2]" 1
900 1 55 LEU HB2 1 56 PHE HA . . 5.500 4.963 4.896 5.020 . 0 0 "[ . 1 . 2]" 1
901 1 55 LEU HB2 1 56 PHE HD1 . . 4.300 2.437 2.355 2.513 . 0 0 "[ . 1 . 2]" 1
902 1 55 LEU HB2 1 56 PHE HE1 . . 4.840 3.392 3.310 3.498 . 0 0 "[ . 1 . 2]" 1
903 1 55 LEU HB2 1 96 TYR QE . . 5.500 4.350 4.083 4.583 . 0 0 "[ . 1 . 2]" 1
904 1 55 LEU HB2 2 7 TRP HH2 . . 4.820 4.707 4.600 4.826 0.006 1 0 "[ . 1 . 2]" 1
905 1 55 LEU HB2 2 10 LEU QD . . 5.440 5.243 5.053 5.420 . 0 0 "[ . 1 . 2]" 1
906 1 55 LEU HB3 1 56 PHE H . . 4.080 3.935 3.876 3.998 . 0 0 "[ . 1 . 2]" 1
907 1 55 LEU HB3 1 56 PHE HD1 . . 4.200 2.670 2.605 2.764 . 0 0 "[ . 1 . 2]" 1
908 1 55 LEU HB3 1 56 PHE HE1 . . 5.130 3.056 2.941 3.199 . 0 0 "[ . 1 . 2]" 1
909 1 55 LEU HB3 2 7 TRP HZ3 . . 5.090 4.244 4.045 4.381 . 0 0 "[ . 1 . 2]" 1
910 1 55 LEU QD 1 56 PHE H . . 4.470 4.370 4.360 4.384 . 0 0 "[ . 1 . 2]" 1
911 1 55 LEU QD 1 56 PHE HD1 . . 4.350 3.744 3.672 3.804 . 0 0 "[ . 1 . 2]" 1
912 1 55 LEU QD 1 56 PHE HE1 . . 4.140 3.336 3.214 3.471 . 0 0 "[ . 1 . 2]" 1
913 1 55 LEU QD 1 96 TYR HD1 . . 5.440 4.853 4.657 5.143 . 0 0 "[ . 1 . 2]" 1
914 1 55 LEU QD 1 96 TYR HD2 . . 5.440 5.131 4.929 5.323 . 0 0 "[ . 1 . 2]" 1
915 1 55 LEU QD 1 101 LEU HA . . 4.790 4.119 3.963 4.303 . 0 0 "[ . 1 . 2]" 1
916 1 55 LEU QD 1 101 LEU MD2 . . 3.290 1.728 1.703 1.771 . 0 0 "[ . 1 . 2]" 1
917 1 55 LEU QD 1 101 LEU HG . . 3.970 2.809 2.602 3.056 . 0 0 "[ . 1 . 2]" 1
918 1 55 LEU QD 1 106 MET ME . . 4.100 3.417 3.258 3.565 . 0 0 "[ . 1 . 2]" 1
919 1 55 LEU QD 2 7 TRP HH2 . . 3.510 2.043 1.895 2.380 . 0 0 "[ . 1 . 2]" 1
920 1 55 LEU QD 2 7 TRP HZ2 . . 4.070 3.489 3.185 3.768 . 0 0 "[ . 1 . 2]" 1
921 1 55 LEU QD 2 10 LEU QD . . 2.710 2.551 2.370 2.694 . 0 0 "[ . 1 . 2]" 1
922 1 55 LEU MD1 1 56 PHE H . . 5.100 5.154 5.095 5.203 0.103 19 0 "[ . 1 . 2]" 1
923 1 55 LEU MD1 1 96 TYR QE . . 5.250 3.925 3.679 4.286 . 0 0 "[ . 1 . 2]" 1
924 1 55 LEU MD1 1 101 LEU MD2 . . 3.790 1.739 1.711 1.782 . 0 0 "[ . 1 . 2]" 1
925 1 55 LEU MD1 1 101 LEU HG . . 5.340 2.823 2.614 3.073 . 0 0 "[ . 1 . 2]" 1
926 1 55 LEU MD2 1 56 PHE H . . 5.100 4.722 4.701 4.749 . 0 0 "[ . 1 . 2]" 1
927 1 55 LEU MD2 1 96 TYR QE . . 5.250 3.446 3.307 3.676 . 0 0 "[ . 1 . 2]" 1
928 1 55 LEU MD2 1 101 LEU MD2 . . 3.790 3.008 2.825 3.189 . 0 0 "[ . 1 . 2]" 1
929 1 55 LEU MD2 1 101 LEU HG . . 5.340 5.065 4.759 5.366 0.026 11 0 "[ . 1 . 2]" 1
930 1 55 LEU HG 1 101 LEU MD2 . . 3.900 4.154 4.117 4.208 0.308 19 0 "[ . 1 . 2]" 1
931 1 55 LEU HG 2 10 LEU QD . . 5.440 4.853 4.580 5.049 . 0 0 "[ . 1 . 2]" 1
932 1 56 PHE H 1 56 PHE HB2 . . 3.730 2.535 2.505 2.567 . 0 0 "[ . 1 . 2]" 1
933 1 56 PHE H 1 56 PHE HB3 . . 3.960 3.708 3.689 3.729 . 0 0 "[ . 1 . 2]" 1
934 1 56 PHE H 1 56 PHE HD1 . . 3.610 2.665 2.624 2.710 . 0 0 "[ . 1 . 2]" 1
935 1 56 PHE H 1 57 ALA H . . 3.650 1.924 1.883 2.010 . 0 0 "[ . 1 . 2]" 1
936 1 56 PHE H 1 57 ALA MB . . 3.780 3.578 3.524 3.634 . 0 0 "[ . 1 . 2]" 1
937 1 56 PHE H 1 58 GLU H . . 4.220 3.868 3.791 3.990 . 0 0 "[ . 1 . 2]" 1
938 1 56 PHE H 1 58 GLU HB2 . . 5.500 5.055 4.954 5.188 . 0 0 "[ . 1 . 2]" 1
939 1 56 PHE H 1 59 PHE H . . 5.500 4.909 4.790 5.130 . 0 0 "[ . 1 . 2]" 1
940 1 56 PHE H 1 59 PHE QD . . 5.140 4.614 4.435 4.762 . 0 0 "[ . 1 . 2]" 1
941 1 56 PHE H 1 62 LEU QD . . 3.890 3.153 3.078 3.190 . 0 0 "[ . 1 . 2]" 1
942 1 56 PHE H 1 65 ALA MB . . 4.450 4.303 4.135 4.434 . 0 0 "[ . 1 . 2]" 1
943 1 56 PHE H 1 81 VAL QG . . 5.210 4.809 4.488 5.071 . 0 0 "[ . 1 . 2]" 1
944 1 56 PHE H 1 96 TYR QE . . 4.940 4.757 4.625 4.947 0.007 8 0 "[ . 1 . 2]" 1
945 1 56 PHE HA 1 56 PHE HD1 . . 4.130 3.173 3.099 3.257 . 0 0 "[ . 1 . 2]" 1
946 1 56 PHE HA 1 56 PHE HD2 . . 4.670 3.772 3.705 3.827 . 0 0 "[ . 1 . 2]" 1
947 1 56 PHE HA 1 57 ALA MB . . 5.080 4.864 4.829 4.898 . 0 0 "[ . 1 . 2]" 1
948 1 56 PHE HA 1 58 GLU H . . 5.170 4.904 4.787 4.996 . 0 0 "[ . 1 . 2]" 1
949 1 56 PHE HA 1 59 PHE H . . 4.280 4.113 4.044 4.247 . 0 0 "[ . 1 . 2]" 1
950 1 56 PHE HA 1 59 PHE QD . . 4.480 2.572 2.343 2.835 . 0 0 "[ . 1 . 2]" 1
951 1 56 PHE HA 1 59 PHE QE . . 4.610 4.043 3.676 4.200 . 0 0 "[ . 1 . 2]" 1
952 1 56 PHE HA 1 92 ALA MB . . 4.140 3.132 3.019 3.248 . 0 0 "[ . 1 . 2]" 1
953 1 56 PHE HB2 1 57 ALA H . . 4.350 3.537 3.412 3.635 . 0 0 "[ . 1 . 2]" 1
954 1 56 PHE HB2 1 57 ALA MB . . 4.530 4.277 4.207 4.368 . 0 0 "[ . 1 . 2]" 1
955 1 56 PHE HB2 1 62 LEU QD . . 3.970 1.986 1.923 2.174 . 0 0 "[ . 1 . 2]" 1
956 1 56 PHE HB2 1 62 LEU HG . . 4.850 4.611 3.595 4.895 0.045 1 0 "[ . 1 . 2]" 1
957 1 56 PHE HB2 1 81 VAL MG1 . . 4.400 3.481 2.643 4.201 . 0 0 "[ . 1 . 2]" 1
958 1 56 PHE HB2 1 81 VAL QG . . 3.690 2.812 2.552 3.107 . 0 0 "[ . 1 . 2]" 1
959 1 56 PHE HB2 1 81 VAL MG2 . . 4.400 3.289 2.827 3.836 . 0 0 "[ . 1 . 2]" 1
960 1 56 PHE HB3 1 57 ALA H . . 4.420 4.148 4.065 4.208 . 0 0 "[ . 1 . 2]" 1
961 1 56 PHE HB3 1 57 ALA MB . . 4.880 4.754 4.673 4.851 . 0 0 "[ . 1 . 2]" 1
962 1 56 PHE HB3 1 62 LEU QD . . 4.060 2.013 1.816 2.620 . 0 0 "[ . 1 . 2]" 1
963 1 56 PHE HB3 1 62 LEU HG . . 5.010 4.358 2.878 4.814 . 0 0 "[ . 1 . 2]" 1
964 1 56 PHE HB3 1 81 VAL QG . . 4.140 2.353 2.098 2.505 . 0 0 "[ . 1 . 2]" 1
965 1 56 PHE HD1 1 96 TYR QE . . 4.230 3.153 2.917 3.511 . 0 0 "[ . 1 . 2]" 1
966 1 56 PHE HD2 1 62 LEU QD . . 4.750 3.301 3.030 4.156 . 0 0 "[ . 1 . 2]" 1
967 1 56 PHE HD2 1 81 VAL MG1 . . 4.280 2.374 1.967 2.938 . 0 0 "[ . 1 . 2]" 1
968 1 56 PHE HD2 1 81 VAL QG . . 3.670 2.155 1.899 2.447 . 0 0 "[ . 1 . 2]" 1
969 1 56 PHE HD2 1 81 VAL MG2 . . 4.280 2.711 1.962 3.241 . 0 0 "[ . 1 . 2]" 1
970 1 56 PHE HD2 1 83 PHE HE1 . . 3.530 1.985 1.931 2.153 . 0 0 "[ . 1 . 2]" 1
971 1 56 PHE HD2 1 92 ALA MB . . 4.030 3.627 3.277 3.954 . 0 0 "[ . 1 . 2]" 1
972 1 56 PHE HD2 1 108 ILE MD . . 5.500 5.468 5.314 5.578 0.078 15 0 "[ . 1 . 2]" 1
973 1 56 PHE HD2 1 108 ILE HG13 . . 5.500 5.227 5.065 5.485 . 0 0 "[ . 1 . 2]" 1
974 1 56 PHE HD2 1 108 ILE MG . . 5.500 4.832 4.566 5.033 . 0 0 "[ . 1 . 2]" 1
975 1 56 PHE HE1 1 106 MET ME . . 4.430 3.384 3.140 3.724 . 0 0 "[ . 1 . 2]" 1
976 1 56 PHE HE2 1 81 VAL MG1 . . 4.170 3.250 2.465 4.024 . 0 0 "[ . 1 . 2]" 1
977 1 56 PHE HE2 1 81 VAL QG . . 3.650 2.892 2.421 3.270 . 0 0 "[ . 1 . 2]" 1
978 1 56 PHE HE2 1 81 VAL MG2 . . 4.170 3.680 3.002 4.217 0.047 9 0 "[ . 1 . 2]" 1
979 1 56 PHE HE2 1 92 ALA MB . . 4.080 3.744 3.341 4.097 0.017 11 0 "[ . 1 . 2]" 1
980 1 56 PHE HE2 1 108 ILE HG13 . . 4.230 2.820 2.659 3.063 . 0 0 "[ . 1 . 2]" 1
981 1 56 PHE HE2 1 108 ILE MG . . 3.890 3.382 3.001 3.574 . 0 0 "[ . 1 . 2]" 1
982 1 56 PHE HZ 1 92 ALA MB . . 4.810 4.388 4.198 4.585 . 0 0 "[ . 1 . 2]" 1
983 1 56 PHE HZ 1 106 MET ME . . 5.210 3.597 3.150 4.034 . 0 0 "[ . 1 . 2]" 1
984 1 56 PHE HZ 1 108 ILE MD . . 3.580 2.250 2.124 2.369 . 0 0 "[ . 1 . 2]" 1
985 1 56 PHE HZ 1 108 ILE HG12 . . 4.720 3.027 2.829 3.134 . 0 0 "[ . 1 . 2]" 1
986 1 56 PHE HZ 1 108 ILE MG . . 4.660 4.642 4.457 4.699 0.039 5 0 "[ . 1 . 2]" 1
987 1 57 ALA H 1 57 ALA MB . . 2.970 2.326 2.293 2.386 . 0 0 "[ . 1 . 2]" 1
988 1 57 ALA H 1 58 GLU H . . 3.600 2.258 2.130 2.329 . 0 0 "[ . 1 . 2]" 1
989 1 57 ALA H 1 58 GLU HA . . 4.890 4.879 4.766 4.938 0.048 7 0 "[ . 1 . 2]" 1
990 1 57 ALA H 1 58 GLU HB2 . . 4.250 4.038 3.964 4.106 . 0 0 "[ . 1 . 2]" 1
991 1 57 ALA H 1 59 PHE H . . 4.050 3.522 3.452 3.599 . 0 0 "[ . 1 . 2]" 1
992 1 57 ALA H 1 59 PHE QD . . 4.480 4.354 3.952 4.527 0.047 2 0 "[ . 1 . 2]" 1
993 1 57 ALA H 1 60 GLY H . . 5.470 5.273 5.154 5.373 . 0 0 "[ . 1 . 2]" 1
994 1 57 ALA H 1 62 LEU QD . . 4.250 2.742 2.646 2.801 . 0 0 "[ . 1 . 2]" 1
995 1 57 ALA H 1 65 ALA MB . . 5.370 4.935 4.741 5.093 . 0 0 "[ . 1 . 2]" 1
996 1 57 ALA HA 1 59 PHE H . . 4.160 3.798 3.770 3.824 . 0 0 "[ . 1 . 2]" 1
997 1 57 ALA HA 1 60 GLY H . . 3.670 3.688 3.496 3.797 0.127 16 0 "[ . 1 . 2]" 1
998 1 57 ALA HA 1 62 LEU H . . 4.580 3.836 3.609 4.316 . 0 0 "[ . 1 . 2]" 1
999 1 57 ALA HA 1 62 LEU HB2 . . 3.650 1.893 1.761 1.968 . 0 0 "[ . 1 . 2]" 1
1000 1 57 ALA HA 1 62 LEU QD . . 3.900 2.358 2.221 2.631 . 0 0 "[ . 1 . 2]" 1
1001 1 57 ALA HA 1 62 LEU HG . . 3.720 4.213 3.734 4.354 0.634 19 17 "[*-****** * ***** *+*]" 1
1002 1 57 ALA MB 1 58 GLU H . . 3.370 2.395 2.341 2.482 . 0 0 "[ . 1 . 2]" 1
1003 1 57 ALA MB 1 58 GLU HB2 . . 4.380 4.396 4.312 4.549 0.169 17 0 "[ . 1 . 2]" 1
1004 1 57 ALA MB 1 59 PHE H . . 4.390 4.182 4.145 4.271 . 0 0 "[ . 1 . 2]" 1
1005 1 57 ALA MB 1 62 LEU HB3 . . 4.090 2.429 2.247 2.650 . 0 0 "[ . 1 . 2]" 1
1006 1 57 ALA MB 1 62 LEU QD . . 3.120 1.858 1.829 1.886 . 0 0 "[ . 1 . 2]" 1
1007 1 57 ALA MB 1 62 LEU HG . . 3.920 3.764 3.566 3.901 . 0 0 "[ . 1 . 2]" 1
1008 1 57 ALA MB 1 65 ALA MB . . 4.270 4.092 4.002 4.216 . 0 0 "[ . 1 . 2]" 1
1009 1 57 ALA MB 1 81 VAL QG . . 5.390 4.985 4.716 5.240 . 0 0 "[ . 1 . 2]" 1
1010 1 58 GLU H 1 58 GLU HB2 . . 3.370 2.335 2.282 2.391 . 0 0 "[ . 1 . 2]" 1
1011 1 58 GLU H 1 58 GLU HB3 . . 3.480 3.565 3.547 3.584 0.104 17 0 "[ . 1 . 2]" 1
1012 1 58 GLU H 1 58 GLU QG . . 4.320 2.532 2.397 3.151 . 0 0 "[ . 1 . 2]" 1
1013 1 58 GLU H 1 59 PHE H . . 3.260 2.793 2.767 2.839 . 0 0 "[ . 1 . 2]" 1
1014 1 58 GLU H 1 59 PHE HA . . 5.500 5.324 5.301 5.381 . 0 0 "[ . 1 . 2]" 1
1015 1 58 GLU H 1 59 PHE HB2 . . 5.110 4.655 4.612 4.804 . 0 0 "[ . 1 . 2]" 1
1016 1 58 GLU H 1 59 PHE QD . . 5.120 4.803 4.132 4.978 . 0 0 "[ . 1 . 2]" 1
1017 1 58 GLU H 1 60 GLY H . . 5.500 4.553 4.400 4.822 . 0 0 "[ . 1 . 2]" 1
1018 1 58 GLU H 2 7 TRP HZ2 . . 5.500 4.605 4.472 4.778 . 0 0 "[ . 1 . 2]" 1
1019 1 58 GLU HA 1 60 GLY H . . 4.560 4.016 3.669 4.580 0.020 17 0 "[ . 1 . 2]" 1
1020 1 58 GLU HB2 1 58 GLU QG . . 2.600 2.158 2.149 2.165 . 0 0 "[ . 1 . 2]" 1
1021 1 58 GLU HB2 1 59 PHE H . . 3.890 3.049 2.936 3.121 . 0 0 "[ . 1 . 2]" 1
1022 1 58 GLU HB2 1 59 PHE HA . . 5.500 4.568 4.506 4.640 . 0 0 "[ . 1 . 2]" 1
1023 1 58 GLU HB2 1 59 PHE HB2 . . 5.500 5.041 4.985 5.131 . 0 0 "[ . 1 . 2]" 1
1024 1 58 GLU HB3 1 59 PHE H . . 3.690 3.695 3.650 3.726 0.036 15 0 "[ . 1 . 2]" 1
1025 1 58 GLU HB3 1 59 PHE HA . . 4.630 4.286 4.251 4.313 . 0 0 "[ . 1 . 2]" 1
1026 1 58 GLU HB3 2 7 TRP HZ2 . . 4.260 2.906 2.735 3.288 . 0 0 "[ . 1 . 2]" 1
1027 1 58 GLU QG 1 59 PHE H . . 5.180 4.427 4.343 4.658 . 0 0 "[ . 1 . 2]" 1
1028 1 58 GLU QG 2 7 TRP HZ2 . . 3.980 2.540 2.071 2.684 . 0 0 "[ . 1 . 2]" 1
1029 1 59 PHE H 1 59 PHE HB2 . . 3.700 2.138 2.104 2.266 . 0 0 "[ . 1 . 2]" 1
1030 1 59 PHE H 1 59 PHE HB3 . . 3.650 3.446 3.407 3.539 . 0 0 "[ . 1 . 2]" 1
1031 1 59 PHE H 1 59 PHE QD . . 3.160 2.947 2.298 3.127 . 0 0 "[ . 1 . 2]" 1
1032 1 59 PHE H 1 60 GLY H . . 3.140 2.791 2.707 2.926 . 0 0 "[ . 1 . 2]" 1
1033 1 59 PHE H 1 60 GLY QA . . 5.300 4.693 4.660 4.736 . 0 0 "[ . 1 . 2]" 1
1034 1 59 PHE H 1 61 THR H . . 5.500 5.542 5.225 5.636 0.136 20 0 "[ . 1 . 2]" 1
1035 1 59 PHE H 1 62 LEU QD . . 5.440 4.868 4.744 5.202 . 0 0 "[ . 1 . 2]" 1
1036 1 59 PHE HA 1 59 PHE QD . . 3.980 2.830 2.750 3.021 . 0 0 "[ . 1 . 2]" 1
1037 1 59 PHE HA 1 60 GLY QA . . 4.780 4.218 4.201 4.234 . 0 0 "[ . 1 . 2]" 1
1038 1 59 PHE HA 1 92 ALA MB . . 5.500 5.268 5.188 5.377 . 0 0 "[ . 1 . 2]" 1
1039 1 59 PHE HB2 1 59 PHE QE . . 4.970 4.385 4.378 4.416 . 0 0 "[ . 1 . 2]" 1
1040 1 59 PHE HB2 1 60 GLY H . . 4.080 3.000 2.518 3.259 . 0 0 "[ . 1 . 2]" 1
1041 1 59 PHE HB2 1 91 LYS HB2 . . 5.500 5.296 4.931 5.574 0.074 14 0 "[ . 1 . 2]" 1
1042 1 59 PHE HB2 1 91 LYS HB3 . . 5.500 5.604 5.456 5.703 0.203 10 0 "[ . 1 . 2]" 1
1043 1 59 PHE HB2 1 92 ALA MB . . 4.480 3.690 3.538 3.856 . 0 0 "[ . 1 . 2]" 1
1044 1 59 PHE HB3 1 60 GLY H . . 3.900 3.196 2.842 3.521 . 0 0 "[ . 1 . 2]" 1
1045 1 59 PHE HB3 1 92 ALA MB . . 4.550 3.970 3.829 4.173 . 0 0 "[ . 1 . 2]" 1
1046 1 59 PHE QD 1 91 LYS HB2 . . 4.560 3.196 2.555 3.508 . 0 0 "[ . 1 . 2]" 1
1047 1 59 PHE QD 1 91 LYS HB3 . . 4.010 2.674 2.244 2.785 . 0 0 "[ . 1 . 2]" 1
1048 1 59 PHE QD 1 91 LYS QG . . 4.550 3.431 3.032 3.880 . 0 0 "[ . 1 . 2]" 1
1049 1 59 PHE QD 1 92 ALA MB . . 4.180 2.765 2.632 3.052 . 0 0 "[ . 1 . 2]" 1
1050 1 59 PHE QD 1 96 TYR QE . . 4.700 3.648 3.409 4.120 . 0 0 "[ . 1 . 2]" 1
1051 1 59 PHE QD 2 6 VAL QG . . 5.440 4.028 3.569 4.364 . 0 0 "[ . 1 . 2]" 1
1052 1 59 PHE QE 1 91 LYS QD . . 3.740 2.861 1.989 3.803 0.063 11 0 "[ . 1 . 2]" 1
1053 1 59 PHE QE 1 92 ALA H . . 3.800 3.666 3.255 3.741 . 0 0 "[ . 1 . 2]" 1
1054 1 59 PHE QE 1 92 ALA HA . . 4.710 2.892 2.768 3.005 . 0 0 "[ . 1 . 2]" 1
1055 1 59 PHE QE 1 92 ALA MB . . 3.460 2.269 2.219 2.405 . 0 0 "[ . 1 . 2]" 1
1056 1 59 PHE QE 1 95 GLN HB2 . . 4.760 3.697 3.512 3.816 . 0 0 "[ . 1 . 2]" 1
1057 1 59 PHE QE 1 95 GLN HG2 . . 4.670 3.868 3.506 4.179 . 0 0 "[ . 1 . 2]" 1
1058 1 59 PHE QE 1 95 GLN HG3 . . 4.090 3.083 2.887 3.329 . 0 0 "[ . 1 . 2]" 1
1059 1 59 PHE QE 1 96 TYR QE . . 3.680 2.750 2.358 2.854 . 0 0 "[ . 1 . 2]" 1
1060 1 59 PHE QE 2 6 VAL QG . . 5.040 2.593 2.233 2.817 . 0 0 "[ . 1 . 2]" 1
1061 1 59 PHE HZ 1 92 ALA HA . . 5.500 2.416 2.198 2.501 . 0 0 "[ . 1 . 2]" 1
1062 1 59 PHE HZ 1 92 ALA MB . . 4.330 3.291 2.769 3.477 . 0 0 "[ . 1 . 2]" 1
1063 1 59 PHE HZ 1 95 GLN HB2 . . 4.680 2.653 2.510 2.809 . 0 0 "[ . 1 . 2]" 1
1064 1 59 PHE HZ 1 95 GLN HB3 . . 4.210 2.974 2.818 3.231 . 0 0 "[ . 1 . 2]" 1
1065 1 59 PHE HZ 1 95 GLN HG2 . . 3.930 3.732 3.365 4.025 0.095 17 0 "[ . 1 . 2]" 1
1066 1 59 PHE HZ 1 95 GLN HG3 . . 3.760 2.605 2.279 3.147 . 0 0 "[ . 1 . 2]" 1
1067 1 60 GLY H 1 61 THR H . . 3.750 3.064 2.647 3.339 . 0 0 "[ . 1 . 2]" 1
1068 1 60 GLY QA 1 61 THR H . . 3.060 2.361 2.303 2.468 . 0 0 "[ . 1 . 2]" 1
1069 1 61 THR H 1 61 THR HB . . 3.320 3.131 3.024 3.266 . 0 0 "[ . 1 . 2]" 1
1070 1 61 THR H 1 61 THR MG . . 4.000 3.922 3.831 3.971 . 0 0 "[ . 1 . 2]" 1
1071 1 61 THR H 1 62 LEU H . . 4.480 4.251 4.125 4.407 . 0 0 "[ . 1 . 2]" 1
1072 1 61 THR H 1 62 LEU HB2 . . 5.500 4.790 4.717 4.861 . 0 0 "[ . 1 . 2]" 1
1073 1 61 THR H 1 62 LEU QD . . 5.440 5.263 5.024 5.639 0.199 11 0 "[ . 1 . 2]" 1
1074 1 61 THR H 1 84 GLU HB2 . . 5.500 5.283 5.086 5.534 0.034 13 0 "[ . 1 . 2]" 1
1075 1 61 THR H 1 85 ARG HB3 . . 5.500 5.599 5.534 5.660 0.160 11 0 "[ . 1 . 2]" 1
1076 1 61 THR H 1 85 ARG QD . . 5.340 3.354 2.634 4.260 . 0 0 "[ . 1 . 2]" 1
1077 1 61 THR H 1 85 ARG QG . . 5.340 4.212 3.943 4.493 . 0 0 "[ . 1 . 2]" 1
1078 1 61 THR HA 1 61 THR MG . . 3.070 2.182 2.121 2.237 . 0 0 "[ . 1 . 2]" 1
1079 1 61 THR HA 1 62 LEU H . . 3.070 2.162 2.141 2.297 . 0 0 "[ . 1 . 2]" 1
1080 1 61 THR HA 1 62 LEU HB2 . . 4.460 4.496 4.098 4.639 0.179 13 0 "[ . 1 . 2]" 1
1081 1 61 THR HA 1 62 LEU QD . . 5.440 5.153 5.098 5.197 . 0 0 "[ . 1 . 2]" 1
1082 1 61 THR HA 1 84 GLU HB2 . . 5.500 4.382 4.062 4.772 . 0 0 "[ . 1 . 2]" 1
1083 1 61 THR HA 1 84 GLU HG3 . . 5.500 4.812 3.383 5.434 . 0 0 "[ . 1 . 2]" 1
1084 1 61 THR HB 1 62 LEU H . . 4.350 3.839 3.235 4.065 . 0 0 "[ . 1 . 2]" 1
1085 1 61 THR HB 1 83 PHE HD2 . . 4.760 4.370 4.226 4.499 . 0 0 "[ . 1 . 2]" 1
1086 1 61 THR HB 1 84 GLU H . . 4.350 2.971 2.435 3.267 . 0 0 "[ . 1 . 2]" 1
1087 1 61 THR HB 1 84 GLU HB2 . . 4.510 2.239 1.967 2.554 . 0 0 "[ . 1 . 2]" 1
1088 1 61 THR HB 1 84 GLU HB3 . . 4.810 3.684 3.341 4.274 . 0 0 "[ . 1 . 2]" 1
1089 1 61 THR HB 1 84 GLU HG3 . . 4.970 3.814 2.234 4.569 . 0 0 "[ . 1 . 2]" 1
1090 1 61 THR HB 1 85 ARG H . . 4.760 3.474 3.195 3.686 . 0 0 "[ . 1 . 2]" 1
1091 1 61 THR HB 1 85 ARG QG . . 4.570 3.676 3.340 4.055 . 0 0 "[ . 1 . 2]" 1
1092 1 61 THR MG 1 62 LEU H . . 3.200 2.809 2.271 3.005 . 0 0 "[ . 1 . 2]" 1
1093 1 61 THR MG 1 62 LEU HA . . 4.690 4.304 4.120 4.619 . 0 0 "[ . 1 . 2]" 1
1094 1 61 THR MG 1 62 LEU HB3 . . 5.360 5.169 4.909 5.365 0.005 8 0 "[ . 1 . 2]" 1
1095 1 61 THR MG 1 84 GLU H . . 3.930 3.601 3.424 3.816 . 0 0 "[ . 1 . 2]" 1
1096 1 61 THR MG 1 84 GLU HB3 . . 3.840 2.779 2.511 3.065 . 0 0 "[ . 1 . 2]" 1
1097 1 61 THR MG 1 84 GLU HG3 . . 3.900 2.678 1.939 3.053 . 0 0 "[ . 1 . 2]" 1
1098 1 61 THR MG 1 85 ARG H . . 5.320 4.510 4.335 4.708 . 0 0 "[ . 1 . 2]" 1
1099 1 62 LEU H 1 62 LEU HB2 . . 3.360 3.136 2.971 3.249 . 0 0 "[ . 1 . 2]" 1
1100 1 62 LEU H 1 62 LEU HB3 . . 3.710 2.744 2.638 3.083 . 0 0 "[ . 1 . 2]" 1
1101 1 62 LEU H 1 62 LEU QD . . 4.360 3.928 3.855 3.964 . 0 0 "[ . 1 . 2]" 1
1102 1 62 LEU H 1 84 GLU HG3 . . 4.640 4.062 2.996 4.671 0.031 4 0 "[ . 1 . 2]" 1
1103 1 62 LEU HA 1 62 LEU QD . . 3.510 2.060 1.908 2.540 . 0 0 "[ . 1 . 2]" 1
1104 1 62 LEU HA 1 62 LEU HG . . 3.760 3.053 2.483 3.241 . 0 0 "[ . 1 . 2]" 1
1105 1 62 LEU HA 1 63 LYS QB . . 5.140 4.149 4.036 4.599 . 0 0 "[ . 1 . 2]" 1
1106 1 62 LEU HA 1 64 LYS H . . 3.960 3.993 3.789 4.144 0.184 10 0 "[ . 1 . 2]" 1
1107 1 62 LEU HA 1 83 PHE HA . . 3.670 2.303 2.161 2.455 . 0 0 "[ . 1 . 2]" 1
1108 1 62 LEU HA 1 84 GLU H . . 4.360 3.035 2.730 3.484 . 0 0 "[ . 1 . 2]" 1
1109 1 62 LEU HB2 1 64 LYS H . . 5.500 5.181 4.974 5.537 0.037 9 0 "[ . 1 . 2]" 1
1110 1 62 LEU HB3 1 63 LYS H . . 4.510 4.254 4.125 4.377 . 0 0 "[ . 1 . 2]" 1
1111 1 62 LEU HB3 1 64 LYS H . . 4.760 4.686 4.584 4.820 0.060 7 0 "[ . 1 . 2]" 1
1112 1 62 LEU HB3 1 65 ALA MB . . 5.500 4.623 4.118 4.810 . 0 0 "[ . 1 . 2]" 1
1113 1 62 LEU QD 1 63 LYS H . . 3.510 2.705 2.467 3.086 . 0 0 "[ . 1 . 2]" 1
1114 1 62 LEU QD 1 63 LYS QB . . 4.970 3.704 3.386 3.952 . 0 0 "[ . 1 . 2]" 1
1115 1 62 LEU QD 1 64 LYS H . . 3.830 2.445 1.829 2.811 . 0 0 "[ . 1 . 2]" 1
1116 1 62 LEU QD 1 65 ALA H . . 4.740 3.310 2.345 3.772 . 0 0 "[ . 1 . 2]" 1
1117 1 62 LEU QD 1 65 ALA MB . . 3.290 1.830 1.661 1.949 . 0 0 "[ . 1 . 2]" 1
1118 1 62 LEU QD 1 81 VAL HA . . 4.350 3.807 3.482 4.091 . 0 0 "[ . 1 . 2]" 1
1119 1 62 LEU QD 1 81 VAL QG . . 3.160 1.730 1.668 1.874 . 0 0 "[ . 1 . 2]" 1
1120 1 62 LEU QD 1 82 HIS H . . 4.250 2.877 2.503 3.291 . 0 0 "[ . 1 . 2]" 1
1121 1 62 LEU QD 1 83 PHE H . . 4.610 4.138 3.798 4.804 0.194 11 0 "[ . 1 . 2]" 1
1122 1 62 LEU QD 1 83 PHE HA . . 3.510 2.674 2.203 3.564 0.054 17 0 "[ . 1 . 2]" 1
1123 1 62 LEU QD 1 83 PHE HE1 . . 4.540 3.342 2.866 4.305 . 0 0 "[ . 1 . 2]" 1
1124 1 62 LEU QD 1 83 PHE HE2 . . 4.790 3.320 2.843 4.488 . 0 0 "[ . 1 . 2]" 1
1125 1 62 LEU QD 1 84 GLU H . . 5.050 4.211 3.872 4.987 . 0 0 "[ . 1 . 2]" 1
1126 1 62 LEU MD1 1 64 LYS HA . . 4.760 4.274 3.955 4.557 . 0 0 "[ . 1 . 2]" 1
1127 1 62 LEU MD2 1 64 LYS HA . . 4.760 3.586 2.595 3.919 . 0 0 "[ . 1 . 2]" 1
1128 1 62 LEU HG 1 63 LYS H . . 4.580 3.434 3.038 3.976 . 0 0 "[ . 1 . 2]" 1
1129 1 62 LEU HG 1 64 LYS H . . 4.840 2.799 2.449 4.242 . 0 0 "[ . 1 . 2]" 1
1130 1 62 LEU HG 1 65 ALA HA . . 5.500 4.908 4.675 5.074 . 0 0 "[ . 1 . 2]" 1
1131 1 62 LEU HG 1 65 ALA MB . . 3.340 3.270 3.209 3.346 0.006 7 0 "[ . 1 . 2]" 1
1132 1 62 LEU HG 1 81 VAL QG . . 3.730 3.279 2.558 3.687 . 0 0 "[ . 1 . 2]" 1
1133 1 62 LEU HG 1 82 HIS H . . 4.310 4.439 4.348 4.579 0.269 7 0 "[ . 1 . 2]" 1
1134 1 62 LEU HG 1 83 PHE HA . . 5.500 4.360 3.826 4.711 . 0 0 "[ . 1 . 2]" 1
1135 1 63 LYS H 1 63 LYS HB2 . . 3.680 2.189 2.071 2.740 . 0 0 "[ . 1 . 2]" 1
1136 1 63 LYS H 1 63 LYS QB . . 3.140 2.165 2.051 2.658 . 0 0 "[ . 1 . 2]" 1
1137 1 63 LYS H 1 63 LYS HB3 . . 3.680 3.455 3.310 3.584 . 0 0 "[ . 1 . 2]" 1
1138 1 63 LYS H 1 63 LYS HD2 . . 5.500 4.895 3.916 5.398 . 0 0 "[ . 1 . 2]" 1
1139 1 63 LYS H 1 63 LYS HD3 . . 5.500 4.694 3.936 5.095 . 0 0 "[ . 1 . 2]" 1
1140 1 63 LYS H 1 63 LYS QE . . 5.340 5.115 3.694 5.430 0.090 13 0 "[ . 1 . 2]" 1
1141 1 63 LYS H 1 63 LYS QG . . 3.340 2.957 2.107 3.413 0.073 2 0 "[ . 1 . 2]" 1
1142 1 63 LYS H 1 64 LYS H . . 3.580 2.660 2.561 2.826 . 0 0 "[ . 1 . 2]" 1
1143 1 63 LYS H 1 81 VAL QG . . 4.660 4.426 4.102 4.686 0.026 6 0 "[ . 1 . 2]" 1
1144 1 63 LYS H 1 82 HIS H . . 4.840 4.627 4.452 4.919 0.079 20 0 "[ . 1 . 2]" 1
1145 1 63 LYS H 1 82 HIS QB . . 4.220 3.864 3.602 4.054 . 0 0 "[ . 1 . 2]" 1
1146 1 63 LYS H 1 83 PHE HA . . 4.870 2.078 1.934 2.228 . 0 0 "[ . 1 . 2]" 1
1147 1 63 LYS H 1 84 GLU H . . 4.570 3.013 2.788 3.300 . 0 0 "[ . 1 . 2]" 1
1148 1 63 LYS H 1 84 GLU HG3 . . 4.890 3.428 2.956 3.647 . 0 0 "[ . 1 . 2]" 1
1149 1 63 LYS HA 1 63 LYS HG2 . . 4.120 2.307 2.064 2.845 . 0 0 "[ . 1 . 2]" 1
1150 1 63 LYS HA 1 63 LYS QG . . 3.310 2.168 2.036 2.601 . 0 0 "[ . 1 . 2]" 1
1151 1 63 LYS HA 1 63 LYS HG3 . . 4.120 2.968 2.218 3.735 . 0 0 "[ . 1 . 2]" 1
1152 1 63 LYS QB 1 63 LYS QD . . 3.260 2.065 1.937 2.192 . 0 0 "[ . 1 . 2]" 1
1153 1 63 LYS QB 1 63 LYS QE . . 3.890 2.842 2.129 3.641 . 0 0 "[ . 1 . 2]" 1
1154 1 63 LYS QB 1 64 LYS H . . 3.110 2.580 2.386 2.736 . 0 0 "[ . 1 . 2]" 1
1155 1 63 LYS QB 1 82 HIS H . . 4.160 3.939 3.634 4.210 0.050 13 0 "[ . 1 . 2]" 1
1156 1 63 LYS QB 1 82 HIS HA . . 4.290 4.094 3.879 4.272 . 0 0 "[ . 1 . 2]" 1
1157 1 63 LYS QB 1 82 HIS QB . . 3.610 2.134 1.867 2.323 . 0 0 "[ . 1 . 2]" 1
1158 1 63 LYS QB 1 83 PHE H . . 4.690 3.799 3.525 4.222 . 0 0 "[ . 1 . 2]" 1
1159 1 63 LYS QB 1 83 PHE HA . . 4.180 3.227 2.829 3.909 . 0 0 "[ . 1 . 2]" 1
1160 1 63 LYS QB 1 84 GLU H . . 4.700 4.045 3.683 4.672 . 0 0 "[ . 1 . 2]" 1
1161 1 63 LYS HB2 1 64 LYS H . . 3.970 2.775 2.414 3.061 . 0 0 "[ . 1 . 2]" 1
1162 1 63 LYS HB2 1 82 HIS HB2 . . 5.110 2.402 1.920 2.868 . 0 0 "[ . 1 . 2]" 1
1163 1 63 LYS HB2 1 82 HIS HB3 . . 5.110 3.146 2.690 3.483 . 0 0 "[ . 1 . 2]" 1
1164 1 63 LYS HB2 1 83 PHE H . . 5.370 3.885 3.609 4.363 . 0 0 "[ . 1 . 2]" 1
1165 1 63 LYS HB3 1 64 LYS H . . 3.970 3.142 2.886 3.736 . 0 0 "[ . 1 . 2]" 1
1166 1 63 LYS HB3 1 82 HIS HB2 . . 5.110 2.642 2.221 3.372 . 0 0 "[ . 1 . 2]" 1
1167 1 63 LYS HB3 1 82 HIS HB3 . . 5.110 3.708 3.443 4.048 . 0 0 "[ . 1 . 2]" 1
1168 1 63 LYS HB3 1 83 PHE H . . 5.370 5.381 4.936 5.618 0.248 7 0 "[ . 1 . 2]" 1
1169 1 63 LYS QD 1 84 GLU HA . . 4.580 2.942 1.960 3.767 . 0 0 "[ . 1 . 2]" 1
1170 1 63 LYS QD 1 84 GLU HG2 . . 4.250 3.062 2.068 3.890 . 0 0 "[ . 1 . 2]" 1
1171 1 63 LYS HD2 1 83 PHE H . . 5.500 5.429 4.782 5.670 0.170 7 0 "[ . 1 . 2]" 1
1172 1 63 LYS HD2 1 84 GLU HA . . 5.430 3.213 1.989 4.479 . 0 0 "[ . 1 . 2]" 1
1173 1 63 LYS HD2 1 84 GLU HG2 . . 4.890 3.262 2.406 4.608 . 0 0 "[ . 1 . 2]" 1
1174 1 63 LYS HD3 1 83 PHE H . . 5.500 5.208 4.383 5.571 0.071 6 0 "[ . 1 . 2]" 1
1175 1 63 LYS HD3 1 84 GLU HA . . 5.430 4.147 1.971 5.104 . 0 0 "[ . 1 . 2]" 1
1176 1 63 LYS HD3 1 84 GLU HG2 . . 4.890 4.080 2.254 4.687 . 0 0 "[ . 1 . 2]" 1
1177 1 63 LYS QE 1 63 LYS QG . . 3.280 2.165 1.937 2.522 . 0 0 "[ . 1 . 2]" 1
1178 1 63 LYS HE2 1 84 GLU HA . . 5.500 4.972 3.036 5.531 0.031 3 0 "[ . 1 . 2]" 1
1179 1 63 LYS HE3 1 84 GLU HA . . 5.500 4.726 3.349 5.494 . 0 0 "[ . 1 . 2]" 1
1180 1 63 LYS QG 1 64 LYS H . . 4.780 4.290 3.605 4.428 . 0 0 "[ . 1 . 2]" 1
1181 1 63 LYS QG 1 84 GLU HG2 . . 4.400 1.975 1.877 2.445 . 0 0 "[ . 1 . 2]" 1
1182 1 63 LYS HG2 1 64 LYS H . . 5.500 4.895 4.316 5.030 . 0 0 "[ . 1 . 2]" 1
1183 1 63 LYS HG3 1 64 LYS H . . 5.500 4.750 3.863 4.972 . 0 0 "[ . 1 . 2]" 1
1184 1 64 LYS H 1 64 LYS QD . . 4.840 4.309 4.156 4.491 . 0 0 "[ . 1 . 2]" 1
1185 1 64 LYS H 1 65 ALA H . . 4.540 4.168 3.889 4.317 . 0 0 "[ . 1 . 2]" 1
1186 1 64 LYS H 1 65 ALA HA . . 4.940 4.671 4.504 4.780 . 0 0 "[ . 1 . 2]" 1
1187 1 64 LYS H 1 81 VAL HA . . 4.840 4.672 4.500 4.844 0.004 15 0 "[ . 1 . 2]" 1
1188 1 64 LYS H 1 81 VAL QG . . 4.620 3.470 3.127 3.693 . 0 0 "[ . 1 . 2]" 1
1189 1 64 LYS H 1 82 HIS H . . 4.020 2.863 2.662 3.003 . 0 0 "[ . 1 . 2]" 1
1190 1 64 LYS H 1 82 HIS QB . . 3.780 2.971 2.442 3.291 . 0 0 "[ . 1 . 2]" 1
1191 1 64 LYS H 1 83 PHE HA . . 4.740 4.072 3.940 4.325 . 0 0 "[ . 1 . 2]" 1
1192 1 64 LYS HA 1 64 LYS HD2 . . 4.370 4.048 3.407 4.360 . 0 0 "[ . 1 . 2]" 1
1193 1 64 LYS HA 1 64 LYS HD3 . . 4.370 3.859 2.553 4.183 . 0 0 "[ . 1 . 2]" 1
1194 1 64 LYS HA 1 65 ALA H . . 2.930 2.256 2.140 2.353 . 0 0 "[ . 1 . 2]" 1
1195 1 64 LYS HA 1 82 HIS H . . 4.590 4.631 4.485 4.721 0.131 15 0 "[ . 1 . 2]" 1
1196 1 64 LYS QB 1 64 LYS QD . . 3.110 2.034 1.959 2.280 . 0 0 "[ . 1 . 2]" 1
1197 1 64 LYS QB 1 64 LYS QE . . 4.190 3.378 2.690 3.674 . 0 0 "[ . 1 . 2]" 1
1198 1 64 LYS QB 1 65 ALA H . . 4.120 3.511 2.901 3.848 . 0 0 "[ . 1 . 2]" 1
1199 1 64 LYS QB 1 82 HIS H . . 3.690 3.614 3.268 3.868 0.178 1 0 "[ . 1 . 2]" 1
1200 1 64 LYS QB 1 82 HIS QB . . 4.250 3.196 2.863 3.583 . 0 0 "[ . 1 . 2]" 1
1201 1 64 LYS HB2 1 65 ALA H . . 4.760 3.962 2.962 4.343 . 0 0 "[ . 1 . 2]" 1
1202 1 64 LYS HB3 1 65 ALA H . . 4.760 3.966 3.581 4.468 . 0 0 "[ . 1 . 2]" 1
1203 1 64 LYS QD 1 65 ALA H . . 3.450 2.727 2.236 3.423 . 0 0 "[ . 1 . 2]" 1
1204 1 64 LYS QD 1 66 ALA H . . 3.970 2.619 2.088 3.210 . 0 0 "[ . 1 . 2]" 1
1205 1 64 LYS QD 1 66 ALA MB . . 3.370 2.326 1.976 2.602 . 0 0 "[ . 1 . 2]" 1
1206 1 64 LYS QD 1 81 VAL HA . . 4.310 3.466 2.845 4.129 . 0 0 "[ . 1 . 2]" 1
1207 1 64 LYS QD 1 82 HIS H . . 4.290 3.766 3.299 4.535 0.245 19 0 "[ . 1 . 2]" 1
1208 1 64 LYS QE 1 64 LYS QG . . 3.210 2.290 1.941 2.461 . 0 0 "[ . 1 . 2]" 1
1209 1 64 LYS QE 1 65 ALA H . . 5.270 4.411 3.902 5.170 . 0 0 "[ . 1 . 2]" 1
1210 1 64 LYS QE 1 66 ALA H . . 4.280 3.661 2.916 4.205 . 0 0 "[ . 1 . 2]" 1
1211 1 64 LYS QE 1 66 ALA MB . . 2.980 2.048 1.878 2.404 . 0 0 "[ . 1 . 2]" 1
1212 1 64 LYS QE 1 81 VAL HA . . 5.300 4.990 3.878 5.359 0.059 19 0 "[ . 1 . 2]" 1
1213 1 64 LYS HE2 1 66 ALA H . . 4.890 4.296 3.592 4.980 0.090 9 0 "[ . 1 . 2]" 1
1214 1 64 LYS HE2 1 66 ALA MB . . 3.560 2.647 2.022 3.564 0.004 16 0 "[ . 1 . 2]" 1
1215 1 64 LYS HE3 1 66 ALA H . . 4.890 4.283 2.964 4.953 0.063 8 0 "[ . 1 . 2]" 1
1216 1 64 LYS HE3 1 66 ALA MB . . 3.560 2.378 1.892 3.571 0.011 3 0 "[ . 1 . 2]" 1
1217 1 64 LYS QG 1 65 ALA H . . 4.230 2.352 1.921 3.650 . 0 0 "[ . 1 . 2]" 1
1218 1 64 LYS QG 1 66 ALA H . . 4.730 4.341 3.844 4.640 . 0 0 "[ . 1 . 2]" 1
1219 1 64 LYS QG 1 66 ALA MB . . 3.760 3.446 3.204 4.044 0.284 1 0 "[ . 1 . 2]" 1
1220 1 64 LYS QG 1 82 HIS H . . 5.080 4.806 2.094 5.119 0.039 9 0 "[ . 1 . 2]" 1
1221 1 64 LYS HG2 1 65 ALA H . . 4.830 2.468 1.928 4.717 . 0 0 "[ . 1 . 2]" 1
1222 1 64 LYS HG3 1 65 ALA H . . 4.830 3.896 3.605 4.686 . 0 0 "[ . 1 . 2]" 1
1223 1 65 ALA H 1 65 ALA MB . . 2.900 2.555 2.310 2.695 . 0 0 "[ . 1 . 2]" 1
1224 1 65 ALA H 1 66 ALA H . . 4.310 3.952 3.697 4.286 . 0 0 "[ . 1 . 2]" 1
1225 1 65 ALA H 1 66 ALA MB . . 4.350 4.097 3.897 4.366 0.016 7 0 "[ . 1 . 2]" 1
1226 1 65 ALA H 1 81 VAL QG . . 4.850 4.094 3.735 4.617 . 0 0 "[ . 1 . 2]" 1
1227 1 65 ALA H 1 82 HIS H . . 4.900 4.737 4.508 4.833 . 0 0 "[ . 1 . 2]" 1
1228 1 65 ALA HA 1 66 ALA H . . 3.110 2.169 2.142 2.205 . 0 0 "[ . 1 . 2]" 1
1229 1 65 ALA HA 1 66 ALA MB . . 4.290 4.069 3.944 4.154 . 0 0 "[ . 1 . 2]" 1
1230 1 65 ALA HA 1 81 VAL HA . . 4.160 2.140 1.991 2.262 . 0 0 "[ . 1 . 2]" 1
1231 1 65 ALA HA 1 81 VAL MG1 . . 3.740 3.063 2.180 3.810 0.070 9 0 "[ . 1 . 2]" 1
1232 1 65 ALA HA 1 81 VAL MG2 . . 3.740 2.653 2.049 3.208 . 0 0 "[ . 1 . 2]" 1
1233 1 65 ALA HA 1 82 HIS H . . 3.870 3.402 3.211 3.618 . 0 0 "[ . 1 . 2]" 1
1234 1 65 ALA MB 1 66 ALA H . . 3.680 3.434 3.273 3.525 . 0 0 "[ . 1 . 2]" 1
1235 1 65 ALA MB 1 81 VAL HA . . 3.660 3.441 3.217 3.585 . 0 0 "[ . 1 . 2]" 1
1236 1 65 ALA MB 1 81 VAL MG1 . . 3.310 2.594 1.855 3.368 0.058 9 0 "[ . 1 . 2]" 1
1237 1 65 ALA MB 1 81 VAL MG2 . . 3.310 2.318 1.903 2.730 . 0 0 "[ . 1 . 2]" 1
1238 1 65 ALA MB 1 82 HIS H . . 4.490 4.080 3.828 4.262 . 0 0 "[ . 1 . 2]" 1
1239 1 66 ALA H 1 66 ALA MB . . 3.060 2.563 2.439 2.692 . 0 0 "[ . 1 . 2]" 1
1240 1 66 ALA H 1 67 VAL H . . 4.480 4.211 4.112 4.285 . 0 0 "[ . 1 . 2]" 1
1241 1 66 ALA H 1 80 ASP HB3 . . 4.170 3.932 3.700 4.186 0.016 19 0 "[ . 1 . 2]" 1
1242 1 66 ALA H 1 81 VAL HA . . 3.760 3.042 2.824 3.227 . 0 0 "[ . 1 . 2]" 1
1243 1 66 ALA H 1 81 VAL MG1 . . 4.710 4.225 3.945 4.512 . 0 0 "[ . 1 . 2]" 1
1244 1 66 ALA H 1 81 VAL QG . . 3.870 3.493 2.711 3.948 0.078 16 0 "[ . 1 . 2]" 1
1245 1 66 ALA H 1 81 VAL MG2 . . 4.710 3.890 2.750 4.788 0.078 7 0 "[ . 1 . 2]" 1
1246 1 66 ALA HA 1 67 VAL H . . 3.190 2.145 2.141 2.153 . 0 0 "[ . 1 . 2]" 1
1247 1 66 ALA HA 1 67 VAL QG . . 4.050 3.557 3.490 3.598 . 0 0 "[ . 1 . 2]" 1
1248 1 66 ALA MB 1 67 VAL H . . 3.270 3.196 3.118 3.260 . 0 0 "[ . 1 . 2]" 1
1249 1 66 ALA MB 1 67 VAL QG . . 4.610 4.047 3.971 4.227 . 0 0 "[ . 1 . 2]" 1
1250 1 66 ALA MB 1 68 ASP H . . 5.430 5.322 5.231 5.372 . 0 0 "[ . 1 . 2]" 1
1251 1 66 ALA MB 1 80 ASP H . . 4.490 4.307 4.260 4.386 . 0 0 "[ . 1 . 2]" 1
1252 1 66 ALA MB 1 80 ASP HB2 . . 5.260 5.126 5.025 5.271 0.011 2 0 "[ . 1 . 2]" 1
1253 1 66 ALA MB 1 80 ASP HB3 . . 4.260 3.935 3.703 4.144 . 0 0 "[ . 1 . 2]" 1
1254 1 66 ALA MB 1 81 VAL QG . . 5.440 4.849 4.364 5.170 . 0 0 "[ . 1 . 2]" 1
1255 1 67 VAL H 1 67 VAL HB . . 3.490 2.784 2.572 2.843 . 0 0 "[ . 1 . 2]" 1
1256 1 67 VAL H 1 67 VAL MG1 . . 3.900 1.953 1.847 3.779 . 0 0 "[ . 1 . 2]" 1
1257 1 67 VAL H 1 67 VAL QG . . 3.150 1.864 1.843 2.080 . 0 0 "[ . 1 . 2]" 1
1258 1 67 VAL H 1 67 VAL MG2 . . 3.900 3.690 2.090 3.786 . 0 0 "[ . 1 . 2]" 1
1259 1 67 VAL H 1 68 ASP H . . 4.790 4.589 4.574 4.606 . 0 0 "[ . 1 . 2]" 1
1260 1 67 VAL H 1 69 TYR HD1 . . 5.180 4.866 4.570 5.067 . 0 0 "[ . 1 . 2]" 1
1261 1 67 VAL H 1 69 TYR HE1 . . 4.870 4.978 4.534 5.041 0.171 20 0 "[ . 1 . 2]" 1
1262 1 67 VAL H 1 79 ALA MB . . 5.400 3.968 3.741 4.322 . 0 0 "[ . 1 . 2]" 1
1263 1 67 VAL H 1 80 ASP H . . 4.970 4.441 4.374 4.531 . 0 0 "[ . 1 . 2]" 1
1264 1 67 VAL HA 1 67 VAL MG1 . . 3.590 3.155 2.286 3.203 . 0 0 "[ . 1 . 2]" 1
1265 1 67 VAL HA 1 67 VAL MG2 . . 3.590 2.349 2.310 2.413 . 0 0 "[ . 1 . 2]" 1
1266 1 67 VAL HA 1 68 ASP H . . 3.400 2.230 2.214 2.235 . 0 0 "[ . 1 . 2]" 1
1267 1 67 VAL HA 1 79 ALA HA . . 4.080 1.947 1.918 1.980 . 0 0 "[ . 1 . 2]" 1
1268 1 67 VAL HA 1 79 ALA MB . . 3.850 2.145 1.954 2.436 . 0 0 "[ . 1 . 2]" 1
1269 1 67 VAL HA 1 80 ASP H . . 3.860 2.336 2.244 2.601 . 0 0 "[ . 1 . 2]" 1
1270 1 67 VAL HB 1 68 ASP H . . 4.290 3.956 3.875 3.997 . 0 0 "[ . 1 . 2]" 1
1271 1 67 VAL HB 1 69 TYR HD1 . . 4.700 4.693 2.643 4.900 0.200 13 0 "[ . 1 . 2]" 1
1272 1 67 VAL HB 1 69 TYR HE1 . . 4.130 4.075 2.238 4.255 0.125 15 0 "[ . 1 . 2]" 1
1273 1 67 VAL HB 1 79 ALA HA . . 4.490 3.745 3.637 4.618 0.128 8 0 "[ . 1 . 2]" 1
1274 1 67 VAL HB 1 80 ASP H . . 5.500 4.435 4.305 5.558 0.058 8 0 "[ . 1 . 2]" 1
1275 1 67 VAL QG 1 68 ASP H . . 3.170 2.161 2.101 2.251 . 0 0 "[ . 1 . 2]" 1
1276 1 67 VAL QG 1 68 ASP HA . . 4.420 3.673 3.622 3.925 . 0 0 "[ . 1 . 2]" 1
1277 1 67 VAL QG 1 68 ASP QB . . 4.680 3.504 3.449 3.559 . 0 0 "[ . 1 . 2]" 1
1278 1 67 VAL QG 1 69 TYR H . . 4.430 4.080 3.944 4.185 . 0 0 "[ . 1 . 2]" 1
1279 1 67 VAL QG 1 69 TYR HA . . 4.500 3.839 3.750 3.919 . 0 0 "[ . 1 . 2]" 1
1280 1 67 VAL QG 1 69 TYR HB2 . . 5.440 4.057 3.935 4.777 . 0 0 "[ . 1 . 2]" 1
1281 1 67 VAL QG 1 69 TYR HD1 . . 3.740 2.074 1.932 2.539 . 0 0 "[ . 1 . 2]" 1
1282 1 67 VAL QG 1 69 TYR HE1 . . 3.350 1.853 1.810 2.602 . 0 0 "[ . 1 . 2]" 1
1283 1 67 VAL QG 1 70 ASP H . . 5.440 5.463 5.350 5.515 0.075 18 0 "[ . 1 . 2]" 1
1284 1 67 VAL QG 1 75 SER H . . 4.590 4.560 4.086 4.692 0.102 19 0 "[ . 1 . 2]" 1
1285 1 67 VAL QG 1 75 SER HA . . 3.920 3.393 2.914 3.555 . 0 0 "[ . 1 . 2]" 1
1286 1 67 VAL QG 1 75 SER QB . . 4.250 2.908 2.095 3.115 . 0 0 "[ . 1 . 2]" 1
1287 1 67 VAL QG 1 76 LEU H . . 4.790 4.383 4.198 4.537 . 0 0 "[ . 1 . 2]" 1
1288 1 67 VAL QG 1 76 LEU QD . . 4.370 3.816 3.378 4.243 . 0 0 "[ . 1 . 2]" 1
1289 1 67 VAL QG 1 76 LEU HG . . 5.280 4.514 4.305 4.892 . 0 0 "[ . 1 . 2]" 1
1290 1 67 VAL QG 1 77 GLY H . . 4.280 4.112 3.918 4.250 . 0 0 "[ . 1 . 2]" 1
1291 1 67 VAL QG 1 78 THR H . . 3.630 3.448 3.292 3.531 . 0 0 "[ . 1 . 2]" 1
1292 1 67 VAL QG 1 78 THR MG . . 5.440 4.590 4.504 4.708 . 0 0 "[ . 1 . 2]" 1
1293 1 67 VAL QG 1 79 ALA H . . 4.510 3.848 3.741 3.975 . 0 0 "[ . 1 . 2]" 1
1294 1 67 VAL QG 1 79 ALA HA . . 3.210 2.307 2.237 2.468 . 0 0 "[ . 1 . 2]" 1
1295 1 67 VAL QG 1 79 ALA MB . . 3.280 1.918 1.790 2.141 . 0 0 "[ . 1 . 2]" 1
1296 1 67 VAL QG 1 80 ASP H . . 3.670 3.862 3.728 3.930 0.260 4 0 "[ . 1 . 2]" 1
1297 1 67 VAL MG1 1 68 ASP H . . 4.300 3.760 2.221 3.896 . 0 0 "[ . 1 . 2]" 1
1298 1 67 VAL MG1 1 69 TYR HD1 . . 4.870 2.186 1.981 2.559 . 0 0 "[ . 1 . 2]" 1
1299 1 67 VAL MG1 1 69 TYR HE1 . . 3.890 1.888 1.832 2.752 . 0 0 "[ . 1 . 2]" 1
1300 1 67 VAL MG1 1 75 SER H . . 5.500 5.342 4.177 5.512 0.012 7 0 "[ . 1 . 2]" 1
1301 1 67 VAL MG1 1 79 ALA HA . . 4.510 4.385 2.521 4.531 0.021 4 0 "[ . 1 . 2]" 1
1302 1 67 VAL MG1 1 80 ASP H . . 4.960 4.979 4.250 5.060 0.100 6 0 "[ . 1 . 2]" 1
1303 1 67 VAL MG2 1 68 ASP H . . 4.300 2.259 2.110 3.944 . 0 0 "[ . 1 . 2]" 1
1304 1 67 VAL MG2 1 69 TYR HD1 . . 4.870 2.658 2.455 4.246 . 0 0 "[ . 1 . 2]" 1
1305 1 67 VAL MG2 1 69 TYR HE1 . . 3.890 2.739 2.563 3.205 . 0 0 "[ . 1 . 2]" 1
1306 1 67 VAL MG2 1 75 SER H . . 5.500 5.000 4.709 5.792 0.292 8 0 "[ . 1 . 2]" 1
1307 1 67 VAL MG2 1 79 ALA HA . . 4.510 2.366 2.243 3.516 . 0 0 "[ . 1 . 2]" 1
1308 1 67 VAL MG2 1 80 ASP H . . 4.960 4.029 3.927 4.125 . 0 0 "[ . 1 . 2]" 1
1309 1 68 ASP H 1 69 TYR HA . . 5.480 5.329 5.178 5.414 . 0 0 "[ . 1 . 2]" 1
1310 1 68 ASP H 1 76 LEU QD . . 5.030 3.963 3.577 4.463 . 0 0 "[ . 1 . 2]" 1
1311 1 68 ASP H 1 77 GLY H . . 5.500 5.533 5.331 5.569 0.069 10 0 "[ . 1 . 2]" 1
1312 1 68 ASP H 1 78 THR H . . 4.380 4.372 4.147 4.414 0.034 2 0 "[ . 1 . 2]" 1
1313 1 68 ASP H 1 78 THR MG . . 4.810 4.563 4.443 4.664 . 0 0 "[ . 1 . 2]" 1
1314 1 68 ASP H 1 79 ALA H . . 4.370 4.375 4.262 4.410 0.040 12 0 "[ . 1 . 2]" 1
1315 1 68 ASP H 1 79 ALA HA . . 3.650 1.891 1.857 1.932 . 0 0 "[ . 1 . 2]" 1
1316 1 68 ASP H 1 79 ALA MB . . 3.510 3.261 3.170 3.351 . 0 0 "[ . 1 . 2]" 1
1317 1 68 ASP H 1 80 ASP H . . 3.810 3.464 3.268 3.582 . 0 0 "[ . 1 . 2]" 1
1318 1 68 ASP HA 1 69 TYR H . . 3.470 2.155 2.140 2.195 . 0 0 "[ . 1 . 2]" 1
1319 1 68 ASP HA 1 69 TYR HA . . 4.610 4.396 4.388 4.438 . 0 0 "[ . 1 . 2]" 1
1320 1 68 ASP HA 1 69 TYR HD1 . . 4.360 3.958 3.793 4.092 . 0 0 "[ . 1 . 2]" 1
1321 1 68 ASP HA 1 76 LEU QD . . 3.820 3.576 3.341 3.886 0.066 4 0 "[ . 1 . 2]" 1
1322 1 68 ASP QB 1 69 TYR HA . . 5.340 4.269 4.156 4.575 . 0 0 "[ . 1 . 2]" 1
1323 1 68 ASP QB 1 76 LEU QD . . 3.720 1.896 1.781 2.507 . 0 0 "[ . 1 . 2]" 1
1324 1 68 ASP QB 1 79 ALA HA . . 3.970 3.589 3.177 3.943 . 0 0 "[ . 1 . 2]" 1
1325 1 69 TYR H 1 69 TYR HB2 . . 3.420 2.411 2.198 2.505 . 0 0 "[ . 1 . 2]" 1
1326 1 69 TYR H 1 69 TYR HD1 . . 3.450 3.344 2.823 3.499 0.049 18 0 "[ . 1 . 2]" 1
1327 1 69 TYR H 1 70 ASP H . . 4.670 4.428 4.346 4.567 . 0 0 "[ . 1 . 2]" 1
1328 1 69 TYR H 1 76 LEU H . . 5.060 4.758 4.668 4.939 . 0 0 "[ . 1 . 2]" 1
1329 1 69 TYR H 1 76 LEU QD . . 3.850 3.283 2.891 3.858 0.008 6 0 "[ . 1 . 2]" 1
1330 1 69 TYR HA 1 69 TYR HD1 . . 4.230 2.938 2.776 3.099 . 0 0 "[ . 1 . 2]" 1
1331 1 69 TYR HA 1 70 ASP H . . 3.460 2.199 2.153 2.355 . 0 0 "[ . 1 . 2]" 1
1332 1 69 TYR HA 1 74 ARG H . . 4.690 4.591 4.048 4.727 0.037 18 0 "[ . 1 . 2]" 1
1333 1 69 TYR HA 1 75 SER H . . 4.570 4.308 3.903 4.427 . 0 0 "[ . 1 . 2]" 1
1334 1 69 TYR HA 1 75 SER HA . . 4.520 1.981 1.934 2.104 . 0 0 "[ . 1 . 2]" 1
1335 1 69 TYR HA 1 76 LEU H . . 4.200 2.439 2.216 2.638 . 0 0 "[ . 1 . 2]" 1
1336 1 69 TYR HA 1 76 LEU HB3 . . 5.300 4.557 4.430 4.734 . 0 0 "[ . 1 . 2]" 1
1337 1 69 TYR HA 1 76 LEU QD . . 4.010 2.695 2.249 3.560 . 0 0 "[ . 1 . 2]" 1
1338 1 69 TYR HA 1 77 GLY H . . 5.030 4.732 4.549 4.864 . 0 0 "[ . 1 . 2]" 1
1339 1 69 TYR HA 1 78 THR H . . 5.500 5.553 5.389 5.618 0.118 8 0 "[ . 1 . 2]" 1
1340 1 69 TYR HB3 1 69 TYR HD2 . . 3.490 2.302 2.296 2.313 . 0 0 "[ . 1 . 2]" 1
1341 1 69 TYR HB3 1 69 TYR HE2 . . 4.700 4.614 4.611 4.619 . 0 0 "[ . 1 . 2]" 1
1342 1 69 TYR HB3 1 70 ASP H . . 3.570 3.199 2.697 3.412 . 0 0 "[ . 1 . 2]" 1
1343 1 69 TYR HB3 1 73 GLY H . . 4.380 4.208 3.580 4.405 0.025 18 0 "[ . 1 . 2]" 1
1344 1 69 TYR HB3 1 73 GLY QA . . 4.430 3.956 3.381 4.466 0.036 20 0 "[ . 1 . 2]" 1
1345 1 69 TYR HB3 1 74 ARG H . . 4.230 3.836 3.321 4.164 . 0 0 "[ . 1 . 2]" 1
1346 1 69 TYR HB3 1 76 LEU H . . 5.500 4.965 4.653 5.116 . 0 0 "[ . 1 . 2]" 1
1347 1 69 TYR HD1 1 75 SER HA . . 3.740 3.273 3.038 3.498 . 0 0 "[ . 1 . 2]" 1
1348 1 69 TYR HD1 1 75 SER QB . . 5.340 3.926 3.245 4.155 . 0 0 "[ . 1 . 2]" 1
1349 1 69 TYR HD2 1 70 ASP H . . 4.310 4.081 3.662 4.323 0.013 6 0 "[ . 1 . 2]" 1
1350 1 69 TYR HD2 1 72 SER H . . 5.500 5.304 3.562 5.523 0.023 8 0 "[ . 1 . 2]" 1
1351 1 69 TYR HD2 1 73 GLY H . . 4.550 3.838 2.487 4.064 . 0 0 "[ . 1 . 2]" 1
1352 1 69 TYR HD2 1 74 ARG H . . 4.230 2.916 2.367 3.184 . 0 0 "[ . 1 . 2]" 1
1353 1 69 TYR HD2 1 75 SER H . . 4.480 4.012 3.657 4.385 . 0 0 "[ . 1 . 2]" 1
1354 1 69 TYR HE1 1 75 SER HA . . 4.780 4.011 3.804 4.234 . 0 0 "[ . 1 . 2]" 1
1355 1 69 TYR HE1 1 75 SER QB . . 4.040 3.001 2.475 3.643 . 0 0 "[ . 1 . 2]" 1
1356 1 69 TYR HE2 1 74 ARG HA . . 4.290 2.379 2.155 3.112 . 0 0 "[ . 1 . 2]" 1
1357 1 69 TYR HE2 1 75 SER H . . 3.840 3.286 2.773 3.626 . 0 0 "[ . 1 . 2]" 1
1358 1 70 ASP H 1 70 ASP HB2 . . 3.960 2.566 2.066 3.595 . 0 0 "[ . 1 . 2]" 1
1359 1 70 ASP H 1 70 ASP QB . . 3.470 2.196 2.044 2.577 . 0 0 "[ . 1 . 2]" 1
1360 1 70 ASP H 1 70 ASP HB3 . . 3.960 2.919 2.403 3.408 . 0 0 "[ . 1 . 2]" 1
1361 1 70 ASP H 1 71 ARG H . . 4.680 4.436 2.662 4.554 . 0 0 "[ . 1 . 2]" 1
1362 1 70 ASP H 1 72 SER H . . 4.380 4.286 3.344 4.394 0.014 12 0 "[ . 1 . 2]" 1
1363 1 70 ASP H 1 73 GLY H . . 4.390 4.235 3.850 4.416 0.026 17 0 "[ . 1 . 2]" 1
1364 1 70 ASP H 1 74 ARG H . . 3.680 3.384 2.901 3.650 . 0 0 "[ . 1 . 2]" 1
1365 1 70 ASP H 1 74 ARG HA . . 5.180 4.902 4.634 5.170 . 0 0 "[ . 1 . 2]" 1
1366 1 70 ASP H 1 74 ARG QB . . 4.930 4.544 4.187 5.023 0.093 13 0 "[ . 1 . 2]" 1
1367 1 70 ASP H 1 75 SER HA . . 3.810 3.175 3.030 3.390 . 0 0 "[ . 1 . 2]" 1
1368 1 70 ASP H 1 75 SER QB . . 5.340 5.099 4.891 5.279 . 0 0 "[ . 1 . 2]" 1
1369 1 70 ASP H 1 76 LEU H . . 3.980 2.609 2.252 3.230 . 0 0 "[ . 1 . 2]" 1
1370 1 70 ASP H 1 76 LEU HA . . 4.520 4.004 3.589 4.540 0.020 20 0 "[ . 1 . 2]" 1
1371 1 70 ASP H 1 76 LEU HB3 . . 4.030 3.521 3.209 4.052 0.022 20 0 "[ . 1 . 2]" 1
1372 1 70 ASP H 1 76 LEU QD . . 3.850 2.968 2.492 3.618 . 0 0 "[ . 1 . 2]" 1
1373 1 70 ASP HA 1 71 ARG H . . 3.240 2.691 2.611 3.105 . 0 0 "[ . 1 . 2]" 1
1374 1 70 ASP HA 1 71 ARG QB . . 5.050 4.528 4.271 4.806 . 0 0 "[ . 1 . 2]" 1
1375 1 70 ASP HA 1 71 ARG QG . . 4.560 4.034 3.287 4.499 . 0 0 "[ . 1 . 2]" 1
1376 1 70 ASP HA 1 76 LEU MD1 . . 4.960 4.808 4.488 4.966 0.006 20 0 "[ . 1 . 2]" 1
1377 1 70 ASP HA 1 76 LEU QD . . 3.440 2.614 2.186 2.818 . 0 0 "[ . 1 . 2]" 1
1378 1 70 ASP HA 1 76 LEU MD2 . . 4.960 2.626 2.191 2.834 . 0 0 "[ . 1 . 2]" 1
1379 1 70 ASP QB 1 72 SER H . . 3.980 2.672 2.173 3.348 . 0 0 "[ . 1 . 2]" 1
1380 1 70 ASP QB 1 73 GLY H . . 4.580 3.609 3.053 4.595 0.015 20 0 "[ . 1 . 2]" 1
1381 1 70 ASP QB 1 74 ARG H . . 4.200 3.509 2.988 4.214 0.014 10 0 "[ . 1 . 2]" 1
1382 1 70 ASP QB 1 76 LEU H . . 4.190 3.496 3.100 3.905 . 0 0 "[ . 1 . 2]" 1
1383 1 70 ASP QB 1 76 LEU HB3 . . 4.750 2.753 2.041 3.593 . 0 0 "[ . 1 . 2]" 1
1384 1 70 ASP QB 1 76 LEU QD . . 3.910 3.321 2.643 3.800 . 0 0 "[ . 1 . 2]" 1
1385 1 70 ASP HB2 1 71 ARG H . . 4.010 3.195 1.907 4.037 0.027 20 0 "[ . 1 . 2]" 1
1386 1 70 ASP HB2 1 74 ARG H . . 4.880 4.118 3.207 4.942 0.062 8 0 "[ . 1 . 2]" 1
1387 1 70 ASP HB3 1 71 ARG H . . 4.010 2.860 2.117 4.076 0.066 20 0 "[ . 1 . 2]" 1
1388 1 70 ASP HB3 1 74 ARG H . . 4.880 3.869 3.201 4.849 . 0 0 "[ . 1 . 2]" 1
1389 1 71 ARG H 1 71 ARG QB . . 3.320 2.568 2.245 3.403 0.083 20 0 "[ . 1 . 2]" 1
1390 1 71 ARG H 1 71 ARG HD2 . . 5.500 4.456 2.704 5.210 . 0 0 "[ . 1 . 2]" 1
1391 1 71 ARG H 1 71 ARG HD3 . . 5.500 4.222 2.133 5.324 . 0 0 "[ . 1 . 2]" 1
1392 1 71 ARG H 1 71 ARG QG . . 3.740 2.521 1.932 3.390 . 0 0 "[ . 1 . 2]" 1
1393 1 71 ARG H 1 76 LEU QD . . 4.760 4.736 4.267 4.856 0.096 13 0 "[ . 1 . 2]" 1
1394 1 71 ARG HA 1 71 ARG HD2 . . 5.500 3.995 2.082 5.497 . 0 0 "[ . 1 . 2]" 1
1395 1 71 ARG HA 1 71 ARG QD . . 4.830 3.486 2.071 4.411 . 0 0 "[ . 1 . 2]" 1
1396 1 71 ARG HA 1 71 ARG HD3 . . 5.500 4.145 2.091 5.501 0.001 11 0 "[ . 1 . 2]" 1
1397 1 71 ARG HA 1 71 ARG QG . . 3.720 2.877 2.246 3.344 . 0 0 "[ . 1 . 2]" 1
1398 1 71 ARG HA 1 72 SER H . . 3.400 2.968 2.690 3.066 . 0 0 "[ . 1 . 2]" 1
1399 1 71 ARG QB 1 71 ARG QG . . 2.350 2.047 1.991 2.085 . 0 0 "[ . 1 . 2]" 1
1400 1 71 ARG QB 1 72 SER H . . 4.450 3.850 3.655 4.038 . 0 0 "[ . 1 . 2]" 1
1401 1 71 ARG HB2 1 72 SER H . . 5.150 4.208 3.899 4.468 . 0 0 "[ . 1 . 2]" 1
1402 1 71 ARG HB3 1 72 SER H . . 5.150 4.472 4.295 4.646 . 0 0 "[ . 1 . 2]" 1
1403 1 72 SER H 1 72 SER HB2 . . 3.890 2.815 2.434 3.458 . 0 0 "[ . 1 . 2]" 1
1404 1 72 SER H 1 72 SER QB . . 3.370 2.693 2.397 3.217 . 0 0 "[ . 1 . 2]" 1
1405 1 72 SER H 1 72 SER HB3 . . 3.890 3.620 2.727 3.927 0.037 15 0 "[ . 1 . 2]" 1
1406 1 72 SER H 1 73 GLY H . . 3.050 1.897 1.849 2.038 . 0 0 "[ . 1 . 2]" 1
1407 1 72 SER H 1 73 GLY QA . . 4.560 3.895 3.646 3.965 . 0 0 "[ . 1 . 2]" 1
1408 1 72 SER H 1 74 ARG H . . 3.550 3.286 2.956 3.539 . 0 0 "[ . 1 . 2]" 1
1409 1 72 SER QB 1 73 GLY H . . 4.000 2.884 2.548 3.520 . 0 0 "[ . 1 . 2]" 1
1410 1 72 SER QB 1 74 ARG H . . 3.920 3.468 3.178 3.929 0.009 15 0 "[ . 1 . 2]" 1
1411 1 72 SER QB 1 74 ARG QB . . 4.740 3.709 3.284 4.094 . 0 0 "[ . 1 . 2]" 1
1412 1 72 SER QB 1 74 ARG QG . . 4.090 3.765 3.002 4.089 . 0 0 "[ . 1 . 2]" 1
1413 1 72 SER HB2 1 73 GLY H . . 4.760 3.106 2.584 4.008 . 0 0 "[ . 1 . 2]" 1
1414 1 72 SER HB3 1 73 GLY H . . 4.760 3.824 2.948 4.508 . 0 0 "[ . 1 . 2]" 1
1415 1 73 GLY H 1 74 ARG QB . . 4.480 4.185 3.781 4.534 0.054 20 0 "[ . 1 . 2]" 1
1416 1 73 GLY H 1 74 ARG QG . . 5.000 4.146 3.610 4.769 . 0 0 "[ . 1 . 2]" 1
1417 1 73 GLY QA 1 74 ARG QB . . 5.160 4.377 4.128 4.610 . 0 0 "[ . 1 . 2]" 1
1418 1 73 GLY QA 1 74 ARG QG . . 4.630 3.702 3.312 4.652 0.022 13 0 "[ . 1 . 2]" 1
1419 1 74 ARG H 1 74 ARG QB . . 2.950 2.806 2.670 3.017 0.067 13 0 "[ . 1 . 2]" 1
1420 1 74 ARG H 1 74 ARG QG . . 3.720 3.106 2.331 3.499 . 0 0 "[ . 1 . 2]" 1
1421 1 74 ARG H 1 75 SER H . . 4.530 4.326 3.938 4.419 . 0 0 "[ . 1 . 2]" 1
1422 1 74 ARG HA 1 74 ARG HD2 . . 5.500 4.119 2.210 5.056 . 0 0 "[ . 1 . 2]" 1
1423 1 74 ARG HA 1 74 ARG QD . . 4.750 3.560 1.968 4.264 . 0 0 "[ . 1 . 2]" 1
1424 1 74 ARG HA 1 74 ARG HD3 . . 5.500 4.073 1.994 5.412 . 0 0 "[ . 1 . 2]" 1
1425 1 74 ARG HA 1 75 SER H . . 3.280 2.252 2.144 2.387 . 0 0 "[ . 1 . 2]" 1
1426 1 74 ARG QB 1 74 ARG QG . . 2.350 2.058 2.001 2.087 . 0 0 "[ . 1 . 2]" 1
1427 1 74 ARG QB 1 75 SER H . . 3.820 2.826 2.434 3.475 . 0 0 "[ . 1 . 2]" 1
1428 1 74 ARG QG 1 75 SER H . . 4.260 3.989 3.689 4.310 0.050 7 0 "[ . 1 . 2]" 1
1429 1 75 SER H 1 75 SER QB . . 3.540 2.176 2.060 2.756 . 0 0 "[ . 1 . 2]" 1
1430 1 75 SER H 1 76 LEU QD . . 5.440 5.461 5.413 5.519 0.079 14 0 "[ . 1 . 2]" 1
1431 1 75 SER H 1 77 GLY H . . 5.500 5.360 5.244 5.444 . 0 0 "[ . 1 . 2]" 1
1432 1 75 SER HA 1 76 LEU MD1 . . 5.400 4.756 3.457 5.390 . 0 0 "[ . 1 . 2]" 1
1433 1 75 SER HA 1 76 LEU QD . . 4.010 3.321 3.209 3.499 . 0 0 "[ . 1 . 2]" 1
1434 1 75 SER HA 1 76 LEU MD2 . . 5.400 3.811 3.234 5.042 . 0 0 "[ . 1 . 2]" 1
1435 1 75 SER HA 1 77 GLY H . . 4.040 3.587 3.460 3.693 . 0 0 "[ . 1 . 2]" 1
1436 1 75 SER QB 1 77 GLY H . . 4.720 3.229 2.860 3.647 . 0 0 "[ . 1 . 2]" 1
1437 1 76 LEU H 1 76 LEU HB3 . . 3.620 2.785 2.695 2.882 . 0 0 "[ . 1 . 2]" 1
1438 1 76 LEU H 1 76 LEU MD1 . . 3.950 3.377 2.396 3.813 . 0 0 "[ . 1 . 2]" 1
1439 1 76 LEU H 1 76 LEU QD . . 3.430 2.121 1.912 2.487 . 0 0 "[ . 1 . 2]" 1
1440 1 76 LEU H 1 76 LEU MD2 . . 3.950 2.446 1.918 3.522 . 0 0 "[ . 1 . 2]" 1
1441 1 76 LEU H 1 76 LEU HG . . 4.120 2.103 1.777 2.362 . 0 0 "[ . 1 . 2]" 1
1442 1 76 LEU H 1 77 GLY H . . 3.870 2.734 2.617 2.775 . 0 0 "[ . 1 . 2]" 1
1443 1 76 LEU H 1 78 THR H . . 4.240 4.073 3.925 4.181 . 0 0 "[ . 1 . 2]" 1
1444 1 76 LEU HA 1 76 LEU MD1 . . 4.650 3.895 3.529 4.065 . 0 0 "[ . 1 . 2]" 1
1445 1 76 LEU HA 1 76 LEU QD . . 3.570 3.385 3.333 3.428 . 0 0 "[ . 1 . 2]" 1
1446 1 76 LEU HA 1 76 LEU MD2 . . 4.650 3.789 3.610 4.097 . 0 0 "[ . 1 . 2]" 1
1447 1 76 LEU HB3 1 76 LEU QD . . 2.890 2.061 1.930 2.288 . 0 0 "[ . 1 . 2]" 1
1448 1 76 LEU HB3 1 77 GLY H . . 4.400 4.234 4.171 4.302 . 0 0 "[ . 1 . 2]" 1
1449 1 76 LEU QD 1 78 THR H . . 4.570 2.918 1.882 3.576 . 0 0 "[ . 1 . 2]" 1
1450 1 76 LEU MD1 1 77 GLY H . . 4.220 3.033 1.860 3.610 . 0 0 "[ . 1 . 2]" 1
1451 1 76 LEU MD2 1 77 GLY H . . 4.220 3.928 3.634 4.350 0.130 6 0 "[ . 1 . 2]" 1
1452 1 76 LEU HG 1 77 GLY H . . 4.500 2.663 2.218 3.545 . 0 0 "[ . 1 . 2]" 1
1453 1 76 LEU HG 1 78 THR H . . 4.790 3.252 2.725 4.368 . 0 0 "[ . 1 . 2]" 1
1454 1 77 GLY H 1 78 THR H . . 3.610 1.890 1.858 1.959 . 0 0 "[ . 1 . 2]" 1
1455 1 78 THR H 1 78 THR MG . . 4.060 4.051 4.029 4.061 0.001 4 0 "[ . 1 . 2]" 1
1456 1 78 THR H 1 79 ALA H . . 4.600 4.281 4.274 4.299 . 0 0 "[ . 1 . 2]" 1
1457 1 78 THR HA 1 78 THR MG . . 3.460 2.291 2.245 2.323 . 0 0 "[ . 1 . 2]" 1
1458 1 78 THR HA 1 79 ALA MB . . 4.110 3.866 3.811 3.902 . 0 0 "[ . 1 . 2]" 1
1459 1 78 THR HB 1 79 ALA H . . 3.880 3.702 3.652 3.771 . 0 0 "[ . 1 . 2]" 1
1460 1 78 THR HB 1 79 ALA HA . . 4.720 4.428 4.366 4.495 . 0 0 "[ . 1 . 2]" 1
1461 1 78 THR MG 1 79 ALA H . . 3.560 2.121 1.999 2.181 . 0 0 "[ . 1 . 2]" 1
1462 1 79 ALA H 1 79 ALA MB . . 3.480 2.546 2.432 2.612 . 0 0 "[ . 1 . 2]" 1
1463 1 79 ALA H 1 80 ASP H . . 4.510 4.435 4.420 4.449 . 0 0 "[ . 1 . 2]" 1
1464 1 79 ALA HA 1 80 ASP H . . 3.140 2.319 2.268 2.372 . 0 0 "[ . 1 . 2]" 1
1465 1 79 ALA HA 1 80 ASP HA . . 4.510 4.429 4.404 4.451 . 0 0 "[ . 1 . 2]" 1
1466 1 79 ALA HA 1 80 ASP HB2 . . 4.150 4.140 4.055 4.195 0.045 14 0 "[ . 1 . 2]" 1
1467 1 79 ALA HA 1 80 ASP HB3 . . 5.040 4.849 4.779 4.931 . 0 0 "[ . 1 . 2]" 1
1468 1 79 ALA MB 1 80 ASP H . . 3.230 2.599 2.472 2.762 . 0 0 "[ . 1 . 2]" 1
1469 1 79 ALA MB 1 80 ASP HA . . 4.830 3.995 3.890 4.083 . 0 0 "[ . 1 . 2]" 1
1470 1 79 ALA MB 1 80 ASP HB2 . . 5.500 4.796 4.716 4.855 . 0 0 "[ . 1 . 2]" 1
1471 1 79 ALA MB 1 80 ASP HB3 . . 5.140 5.039 4.946 5.126 . 0 0 "[ . 1 . 2]" 1
1472 1 79 ALA MB 1 81 VAL QG . . 3.300 3.211 2.973 3.356 0.056 10 0 "[ . 1 . 2]" 1
1473 1 80 ASP H 1 80 ASP HB2 . . 3.430 2.890 2.798 2.946 . 0 0 "[ . 1 . 2]" 1
1474 1 80 ASP H 1 80 ASP HB3 . . 3.730 2.895 2.807 3.027 . 0 0 "[ . 1 . 2]" 1
1475 1 80 ASP H 1 81 VAL QG . . 4.310 3.802 3.560 4.190 . 0 0 "[ . 1 . 2]" 1
1476 1 80 ASP HA 1 81 VAL H . . 3.000 2.162 2.140 2.190 . 0 0 "[ . 1 . 2]" 1
1477 1 80 ASP HA 1 81 VAL HA . . 4.460 4.415 4.397 4.429 . 0 0 "[ . 1 . 2]" 1
1478 1 80 ASP HA 1 81 VAL HB . . 5.160 4.845 4.526 5.134 . 0 0 "[ . 1 . 2]" 1
1479 1 80 ASP HA 1 81 VAL QG . . 3.720 3.323 3.135 3.563 . 0 0 "[ . 1 . 2]" 1
1480 1 80 ASP HB3 1 81 VAL H . . 4.640 3.964 3.866 4.116 . 0 0 "[ . 1 . 2]" 1
1481 1 80 ASP HB3 1 81 VAL HA . . 5.500 4.444 4.372 4.527 . 0 0 "[ . 1 . 2]" 1
1482 1 80 ASP HB3 1 81 VAL QG . . 5.000 4.642 4.408 4.952 . 0 0 "[ . 1 . 2]" 1
1483 1 81 VAL H 1 81 VAL HB . . 4.200 3.307 2.823 3.736 . 0 0 "[ . 1 . 2]" 1
1484 1 81 VAL H 1 81 VAL MG1 . . 4.060 3.007 2.205 3.988 . 0 0 "[ . 1 . 2]" 1
1485 1 81 VAL H 1 81 VAL QG . . 3.240 2.477 2.190 2.927 . 0 0 "[ . 1 . 2]" 1
1486 1 81 VAL H 1 81 VAL MG2 . . 4.060 3.305 2.775 3.801 . 0 0 "[ . 1 . 2]" 1
1487 1 81 VAL H 1 82 HIS H . . 4.460 4.337 4.318 4.363 . 0 0 "[ . 1 . 2]" 1
1488 1 81 VAL H 1 82 HIS HD2 . . 4.180 3.550 3.403 3.673 . 0 0 "[ . 1 . 2]" 1
1489 1 81 VAL HA 1 81 VAL MG1 . . 3.640 2.747 2.197 3.172 . 0 0 "[ . 1 . 2]" 1
1490 1 81 VAL HA 1 81 VAL MG2 . . 3.640 2.537 2.317 2.750 . 0 0 "[ . 1 . 2]" 1
1491 1 81 VAL HA 1 82 HIS H . . 3.430 2.217 2.202 2.230 . 0 0 "[ . 1 . 2]" 1
1492 1 81 VAL HA 1 82 HIS HD2 . . 4.230 4.008 3.593 4.233 0.003 6 0 "[ . 1 . 2]" 1
1493 1 81 VAL HB 1 82 HIS HA . . 5.500 5.180 4.531 5.703 0.203 10 0 "[ . 1 . 2]" 1
1494 1 81 VAL QG 1 82 HIS H . . 3.440 2.238 2.073 2.333 . 0 0 "[ . 1 . 2]" 1
1495 1 81 VAL QG 1 83 PHE H . . 4.790 4.108 3.950 4.408 . 0 0 "[ . 1 . 2]" 1
1496 1 81 VAL QG 1 83 PHE HD1 . . 3.970 2.834 2.511 3.378 . 0 0 "[ . 1 . 2]" 1
1497 1 81 VAL QG 1 83 PHE HE1 . . 4.290 2.196 1.884 2.780 . 0 0 "[ . 1 . 2]" 1
1498 1 81 VAL MG1 1 82 HIS H . . 4.370 3.320 2.235 4.265 . 0 0 "[ . 1 . 2]" 1
1499 1 81 VAL MG2 1 82 HIS H . . 4.370 3.016 2.079 4.062 . 0 0 "[ . 1 . 2]" 1
1500 1 82 HIS H 1 82 HIS HB2 . . 3.950 2.775 2.537 2.833 . 0 0 "[ . 1 . 2]" 1
1501 1 82 HIS H 1 82 HIS QB . . 3.470 2.710 2.497 2.760 . 0 0 "[ . 1 . 2]" 1
1502 1 82 HIS H 1 82 HIS HB3 . . 3.950 3.799 3.713 3.837 . 0 0 "[ . 1 . 2]" 1
1503 1 82 HIS H 1 82 HIS HD2 . . 4.780 3.633 3.231 3.841 . 0 0 "[ . 1 . 2]" 1
1504 1 82 HIS H 1 83 PHE HD1 . . 5.240 4.666 4.289 5.017 . 0 0 "[ . 1 . 2]" 1
1505 1 82 HIS HA 1 82 HIS HD2 . . 4.130 2.644 2.567 2.720 . 0 0 "[ . 1 . 2]" 1
1506 1 82 HIS HA 1 83 PHE H . . 3.550 2.189 2.146 2.234 . 0 0 "[ . 1 . 2]" 1
1507 1 82 HIS HA 1 83 PHE HD1 . . 4.980 3.328 3.011 3.640 . 0 0 "[ . 1 . 2]" 1
1508 1 82 HIS QB 1 82 HIS HE1 . . 4.590 4.350 4.345 4.354 . 0 0 "[ . 1 . 2]" 1
1509 1 82 HIS QB 1 83 PHE H . . 3.620 3.007 2.845 3.214 . 0 0 "[ . 1 . 2]" 1
1510 1 82 HIS HB2 1 83 PHE H . . 4.320 3.929 3.775 4.087 . 0 0 "[ . 1 . 2]" 1
1511 1 82 HIS HB3 1 83 PHE H . . 4.320 3.122 2.943 3.362 . 0 0 "[ . 1 . 2]" 1
1512 1 82 HIS HD2 1 83 PHE H . . 4.880 4.752 4.647 4.844 . 0 0 "[ . 1 . 2]" 1
1513 1 83 PHE H 1 83 PHE HB3 . . 3.970 3.652 3.630 3.681 . 0 0 "[ . 1 . 2]" 1
1514 1 83 PHE H 1 83 PHE HD1 . . 3.840 2.714 2.457 3.041 . 0 0 "[ . 1 . 2]" 1
1515 1 83 PHE H 1 84 GLU H . . 4.600 4.517 4.486 4.541 . 0 0 "[ . 1 . 2]" 1
1516 1 83 PHE H 1 84 GLU HA . . 5.190 5.107 5.022 5.204 0.014 13 0 "[ . 1 . 2]" 1
1517 1 83 PHE H 1 89 ALA MB . . 5.080 4.325 4.083 4.786 . 0 0 "[ . 1 . 2]" 1
1518 1 83 PHE HA 1 83 PHE HD1 . . 4.650 3.626 3.392 3.833 . 0 0 "[ . 1 . 2]" 1
1519 1 83 PHE HA 1 83 PHE HD2 . . 4.840 3.325 3.086 3.585 . 0 0 "[ . 1 . 2]" 1
1520 1 83 PHE HA 1 84 GLU HA . . 4.400 4.331 4.320 4.343 . 0 0 "[ . 1 . 2]" 1
1521 1 83 PHE HA 1 84 GLU HB2 . . 5.150 4.567 4.389 5.066 . 0 0 "[ . 1 . 2]" 1
1522 1 83 PHE HA 1 84 GLU HG2 . . 5.250 4.831 3.555 5.293 0.043 3 0 "[ . 1 . 2]" 1
1523 1 83 PHE HA 1 84 GLU HG3 . . 4.620 4.333 3.849 4.510 . 0 0 "[ . 1 . 2]" 1
1524 1 83 PHE HA 1 89 ALA MB . . 5.480 5.100 4.851 5.377 . 0 0 "[ . 1 . 2]" 1
1525 1 83 PHE HB2 1 84 GLU H . . 4.420 3.978 3.853 4.076 . 0 0 "[ . 1 . 2]" 1
1526 1 83 PHE HB2 1 85 ARG H . . 4.340 3.577 3.365 3.761 . 0 0 "[ . 1 . 2]" 1
1527 1 83 PHE HB2 1 89 ALA MB . . 3.700 2.653 2.374 2.976 . 0 0 "[ . 1 . 2]" 1
1528 1 83 PHE HB3 1 84 GLU H . . 4.320 2.743 2.613 2.859 . 0 0 "[ . 1 . 2]" 1
1529 1 83 PHE HB3 1 85 ARG H . . 4.380 2.321 2.275 2.361 . 0 0 "[ . 1 . 2]" 1
1530 1 83 PHE HB3 1 88 ASP H . . 5.180 4.744 4.329 4.928 . 0 0 "[ . 1 . 2]" 1
1531 1 83 PHE HB3 1 89 ALA H . . 4.430 3.562 3.278 3.799 . 0 0 "[ . 1 . 2]" 1
1532 1 83 PHE HB3 1 89 ALA MB . . 4.140 3.408 2.993 3.720 . 0 0 "[ . 1 . 2]" 1
1533 1 83 PHE HD2 1 84 GLU H . . 4.190 3.737 3.459 3.959 . 0 0 "[ . 1 . 2]" 1
1534 1 83 PHE HD2 1 85 ARG H . . 4.410 3.966 3.811 4.122 . 0 0 "[ . 1 . 2]" 1
1535 1 83 PHE HD2 1 88 ASP H . . 5.240 4.628 4.246 4.911 . 0 0 "[ . 1 . 2]" 1
1536 1 83 PHE HD2 1 89 ALA H . . 4.250 3.764 3.240 4.269 0.019 15 0 "[ . 1 . 2]" 1
1537 1 83 PHE HE1 1 89 ALA HA . . 4.510 3.907 3.592 4.299 . 0 0 "[ . 1 . 2]" 1
1538 1 83 PHE HE1 1 89 ALA MB . . 4.510 4.281 3.886 4.531 0.021 8 0 "[ . 1 . 2]" 1
1539 1 84 GLU H 1 84 GLU HB2 . . 3.800 2.360 2.199 2.811 . 0 0 "[ . 1 . 2]" 1
1540 1 84 GLU H 1 84 GLU HG3 . . 3.630 2.916 2.414 3.150 . 0 0 "[ . 1 . 2]" 1
1541 1 84 GLU H 1 85 ARG H . . 4.050 2.383 2.266 2.485 . 0 0 "[ . 1 . 2]" 1
1542 1 84 GLU H 1 85 ARG QG . . 5.110 4.328 4.164 4.556 . 0 0 "[ . 1 . 2]" 1
1543 1 84 GLU HA 1 84 GLU HG2 . . 3.890 2.339 2.186 2.736 . 0 0 "[ . 1 . 2]" 1
1544 1 84 GLU HB2 1 85 ARG H . . 4.240 3.315 3.209 3.406 . 0 0 "[ . 1 . 2]" 1
1545 1 84 GLU HB3 1 85 ARG H . . 4.570 3.980 3.783 4.323 . 0 0 "[ . 1 . 2]" 1
1546 1 84 GLU HG3 1 85 ARG H . . 4.970 4.825 4.279 5.011 0.041 3 0 "[ . 1 . 2]" 1
1547 1 85 ARG H 1 85 ARG HD2 . . 5.500 4.287 3.510 5.082 . 0 0 "[ . 1 . 2]" 1
1548 1 85 ARG H 1 85 ARG QD . . 4.680 3.906 3.162 4.641 . 0 0 "[ . 1 . 2]" 1
1549 1 85 ARG H 1 85 ARG HD3 . . 5.500 4.695 3.329 5.369 . 0 0 "[ . 1 . 2]" 1
1550 1 85 ARG H 1 85 ARG HG2 . . 4.460 2.661 2.558 2.758 . 0 0 "[ . 1 . 2]" 1
1551 1 85 ARG H 1 85 ARG QG . . 3.800 2.623 2.533 2.712 . 0 0 "[ . 1 . 2]" 1
1552 1 85 ARG H 1 85 ARG HG3 . . 4.460 4.006 3.808 4.208 . 0 0 "[ . 1 . 2]" 1
1553 1 85 ARG H 1 88 ASP H . . 5.060 4.621 4.289 4.831 . 0 0 "[ . 1 . 2]" 1
1554 1 85 ARG H 1 88 ASP QB . . 4.670 3.703 3.526 4.788 0.118 15 0 "[ . 1 . 2]" 1
1555 1 85 ARG H 1 89 ALA H . . 4.720 4.579 4.296 4.776 0.056 15 0 "[ . 1 . 2]" 1
1556 1 85 ARG H 1 89 ALA MB . . 5.240 4.606 4.310 4.883 . 0 0 "[ . 1 . 2]" 1
1557 1 85 ARG HA 1 85 ARG HD2 . . 5.500 4.893 4.427 5.507 0.007 17 0 "[ . 1 . 2]" 1
1558 1 85 ARG HA 1 85 ARG QD . . 4.840 4.430 4.111 4.603 . 0 0 "[ . 1 . 2]" 1
1559 1 85 ARG HA 1 85 ARG HD3 . . 5.500 5.207 4.756 5.512 0.012 1 0 "[ . 1 . 2]" 1
1560 1 85 ARG HA 1 85 ARG HG2 . . 4.160 3.656 3.563 3.783 . 0 0 "[ . 1 . 2]" 1
1561 1 85 ARG HA 1 85 ARG HG3 . . 4.160 3.769 3.604 3.989 . 0 0 "[ . 1 . 2]" 1
1562 1 85 ARG HB2 1 86 ARG H . . 5.500 2.592 2.355 3.208 . 0 0 "[ . 1 . 2]" 1
1563 1 85 ARG HB2 1 87 ALA H . . 4.130 3.177 2.903 3.341 . 0 0 "[ . 1 . 2]" 1
1564 1 85 ARG HB2 1 88 ASP H . . 4.750 4.137 3.818 4.437 . 0 0 "[ . 1 . 2]" 1
1565 1 85 ARG HB3 1 85 ARG HD2 . . 3.980 2.650 1.977 3.621 . 0 0 "[ . 1 . 2]" 1
1566 1 85 ARG HB3 1 85 ARG QD . . 3.490 2.438 1.951 2.980 . 0 0 "[ . 1 . 2]" 1
1567 1 85 ARG HB3 1 85 ARG HD3 . . 3.980 3.298 2.517 3.653 . 0 0 "[ . 1 . 2]" 1
1568 1 85 ARG HB3 1 88 ASP H . . 4.410 4.506 4.462 4.618 0.208 15 0 "[ . 1 . 2]" 1
1569 1 85 ARG QD 1 86 ARG H . . 5.340 4.700 3.872 5.409 0.069 20 0 "[ . 1 . 2]" 1
1570 1 85 ARG QD 1 87 ALA H . . 4.880 4.012 3.103 4.892 0.012 14 0 "[ . 1 . 2]" 1
1571 1 85 ARG QD 1 87 ALA MB . . 3.950 2.759 1.969 3.997 0.047 14 0 "[ . 1 . 2]" 1
1572 1 85 ARG QD 1 88 ASP H . . 4.440 2.719 2.157 3.528 . 0 0 "[ . 1 . 2]" 1
1573 1 85 ARG HD2 1 88 ASP H . . 5.210 3.552 2.207 4.319 . 0 0 "[ . 1 . 2]" 1
1574 1 85 ARG HD3 1 88 ASP H . . 5.210 3.019 2.408 3.785 . 0 0 "[ . 1 . 2]" 1
1575 1 85 ARG QG 1 86 ARG H . . 5.340 2.967 2.535 3.605 . 0 0 "[ . 1 . 2]" 1
1576 1 85 ARG QG 1 87 ALA H . . 3.530 2.167 1.850 2.749 . 0 0 "[ . 1 . 2]" 1
1577 1 85 ARG QG 1 88 ASP H . . 4.090 1.801 1.764 1.957 . 0 0 "[ . 1 . 2]" 1
1578 1 85 ARG QG 1 89 ALA H . . 5.310 3.265 3.066 3.511 . 0 0 "[ . 1 . 2]" 1
1579 1 85 ARG HG2 1 87 ALA H . . 4.110 3.626 3.115 3.908 . 0 0 "[ . 1 . 2]" 1
1580 1 85 ARG HG3 1 87 ALA H . . 4.110 2.188 1.864 2.830 . 0 0 "[ . 1 . 2]" 1
1581 1 86 ARG H 1 86 ARG HB2 . . 4.000 2.589 2.156 3.579 . 0 0 "[ . 1 . 2]" 1
1582 1 86 ARG H 1 86 ARG QB . . 3.350 2.338 2.108 2.637 . 0 0 "[ . 1 . 2]" 1
1583 1 86 ARG H 1 86 ARG HB3 . . 4.000 2.782 2.416 3.662 . 0 0 "[ . 1 . 2]" 1
1584 1 86 ARG H 1 86 ARG QG . . 5.130 3.724 2.085 4.087 . 0 0 "[ . 1 . 2]" 1
1585 1 86 ARG H 1 87 ALA H . . 4.020 2.354 2.217 2.639 . 0 0 "[ . 1 . 2]" 1
1586 1 86 ARG H 1 87 ALA MB . . 4.510 3.974 3.791 4.242 . 0 0 "[ . 1 . 2]" 1
1587 1 86 ARG H 1 88 ASP H . . 4.850 4.323 4.159 4.805 . 0 0 "[ . 1 . 2]" 1
1588 1 86 ARG H 1 90 LEU QD . . 5.440 5.535 5.484 5.613 0.173 5 0 "[ . 1 . 2]" 1
1589 1 86 ARG HA 1 88 ASP H . . 5.430 4.433 4.341 4.575 . 0 0 "[ . 1 . 2]" 1
1590 1 86 ARG HA 1 89 ALA H . . 4.760 3.333 3.180 3.514 . 0 0 "[ . 1 . 2]" 1
1591 1 86 ARG HA 1 89 ALA MB . . 4.260 2.341 2.167 2.687 . 0 0 "[ . 1 . 2]" 1
1592 1 86 ARG QB 1 87 ALA H . . 4.160 2.765 2.555 3.670 . 0 0 "[ . 1 . 2]" 1
1593 1 86 ARG QB 1 90 LEU QD . . 4.490 3.900 3.546 4.249 . 0 0 "[ . 1 . 2]" 1
1594 1 87 ALA H 1 87 ALA MB . . 3.000 2.135 2.038 2.234 . 0 0 "[ . 1 . 2]" 1
1595 1 87 ALA H 1 88 ASP H . . 3.850 2.881 2.750 2.945 . 0 0 "[ . 1 . 2]" 1
1596 1 87 ALA H 1 88 ASP HA . . 5.500 5.441 5.342 5.484 . 0 0 "[ . 1 . 2]" 1
1597 1 87 ALA H 1 88 ASP QB . . 5.340 4.700 4.521 5.320 . 0 0 "[ . 1 . 2]" 1
1598 1 87 ALA H 1 89 ALA H . . 4.560 4.216 4.016 4.450 . 0 0 "[ . 1 . 2]" 1
1599 1 87 ALA H 1 89 ALA MB . . 5.040 4.669 4.503 4.923 . 0 0 "[ . 1 . 2]" 1
1600 1 87 ALA H 1 90 LEU QD . . 4.320 4.030 3.943 4.123 . 0 0 "[ . 1 . 2]" 1
1601 1 87 ALA HA 1 89 ALA MB . . 5.290 5.069 4.890 5.249 . 0 0 "[ . 1 . 2]" 1
1602 1 87 ALA HA 1 90 LEU H . . 4.250 3.979 3.772 4.102 . 0 0 "[ . 1 . 2]" 1
1603 1 87 ALA HA 1 90 LEU HB3 . . 4.240 3.809 3.243 4.262 0.022 15 0 "[ . 1 . 2]" 1
1604 1 87 ALA HA 1 90 LEU QD . . 3.680 2.005 1.877 2.162 . 0 0 "[ . 1 . 2]" 1
1605 1 87 ALA MB 1 88 ASP H . . 3.570 2.402 2.272 2.571 . 0 0 "[ . 1 . 2]" 1
1606 1 87 ALA MB 1 88 ASP QB . . 4.050 3.885 3.610 4.152 0.102 5 0 "[ . 1 . 2]" 1
1607 1 87 ALA MB 1 89 ALA H . . 4.660 4.480 4.323 4.621 . 0 0 "[ . 1 . 2]" 1
1608 1 88 ASP H 1 88 ASP HB2 . . 4.050 2.408 2.119 3.559 . 0 0 "[ . 1 . 2]" 1
1609 1 88 ASP H 1 88 ASP HB3 . . 4.050 3.130 2.579 3.587 . 0 0 "[ . 1 . 2]" 1
1610 1 88 ASP H 1 89 ALA MB . . 4.440 4.228 4.119 4.362 . 0 0 "[ . 1 . 2]" 1
1611 1 88 ASP H 1 90 LEU H . . 4.800 4.504 4.318 4.714 . 0 0 "[ . 1 . 2]" 1
1612 1 88 ASP H 1 90 LEU QD . . 4.950 4.681 4.511 4.825 . 0 0 "[ . 1 . 2]" 1
1613 1 88 ASP H 1 91 LYS H . . 5.500 4.732 4.629 4.800 . 0 0 "[ . 1 . 2]" 1
1614 1 88 ASP HA 1 89 ALA MB . . 5.310 5.007 4.991 5.024 . 0 0 "[ . 1 . 2]" 1
1615 1 88 ASP HA 1 90 LEU H . . 5.220 4.801 4.553 5.036 . 0 0 "[ . 1 . 2]" 1
1616 1 88 ASP HA 1 91 LYS H . . 3.850 3.497 3.344 3.605 . 0 0 "[ . 1 . 2]" 1
1617 1 88 ASP HA 1 91 LYS HB2 . . 3.780 2.403 2.209 2.687 . 0 0 "[ . 1 . 2]" 1
1618 1 88 ASP HA 1 92 ALA H . . 4.200 3.941 3.839 4.108 . 0 0 "[ . 1 . 2]" 1
1619 1 88 ASP HA 1 92 ALA MB . . 4.880 4.682 4.607 4.818 . 0 0 "[ . 1 . 2]" 1
1620 1 88 ASP QB 1 89 ALA H . . 3.840 2.578 2.308 3.403 . 0 0 "[ . 1 . 2]" 1
1621 1 89 ALA H 1 89 ALA MB . . 3.350 2.073 2.024 2.210 . 0 0 "[ . 1 . 2]" 1
1622 1 89 ALA H 1 90 LEU H . . 3.740 2.922 2.867 2.983 . 0 0 "[ . 1 . 2]" 1
1623 1 89 ALA H 1 90 LEU HB3 . . 5.500 4.883 4.752 4.986 . 0 0 "[ . 1 . 2]" 1
1624 1 89 ALA H 1 91 LYS H . . 4.370 4.000 3.886 4.140 . 0 0 "[ . 1 . 2]" 1
1625 1 89 ALA H 1 92 ALA H . . 5.320 5.208 5.132 5.287 . 0 0 "[ . 1 . 2]" 1
1626 1 89 ALA H 1 93 MET ME . . 5.500 5.400 5.205 5.519 0.019 19 0 "[ . 1 . 2]" 1
1627 1 89 ALA HA 1 90 LEU HA . . 5.070 4.784 4.751 4.814 . 0 0 "[ . 1 . 2]" 1
1628 1 89 ALA HA 1 91 LYS H . . 4.500 4.289 4.186 4.389 . 0 0 "[ . 1 . 2]" 1
1629 1 89 ALA HA 1 92 ALA H . . 4.310 4.190 4.096 4.289 . 0 0 "[ . 1 . 2]" 1
1630 1 89 ALA HA 1 92 ALA MB . . 4.040 3.846 3.593 3.995 . 0 0 "[ . 1 . 2]" 1
1631 1 89 ALA HA 1 93 MET H . . 4.750 4.060 3.929 4.182 . 0 0 "[ . 1 . 2]" 1
1632 1 89 ALA HA 1 93 MET HB2 . . 5.500 4.188 4.060 4.354 . 0 0 "[ . 1 . 2]" 1
1633 1 89 ALA HA 1 93 MET QB . . 4.780 3.964 3.861 4.105 . 0 0 "[ . 1 . 2]" 1
1634 1 89 ALA HA 1 93 MET HB3 . . 5.500 4.899 4.754 5.021 . 0 0 "[ . 1 . 2]" 1
1635 1 89 ALA HA 1 108 ILE MG . . 5.500 4.734 4.581 4.899 . 0 0 "[ . 1 . 2]" 1
1636 1 89 ALA MB 1 90 LEU H . . 3.490 2.363 2.106 2.538 . 0 0 "[ . 1 . 2]" 1
1637 1 89 ALA MB 1 91 LYS H . . 5.000 4.270 4.170 4.408 . 0 0 "[ . 1 . 2]" 1
1638 1 89 ALA MB 1 92 ALA H . . 5.370 5.241 5.135 5.319 . 0 0 "[ . 1 . 2]" 1
1639 1 89 ALA MB 1 110 LEU HA . . 5.500 4.448 4.261 4.690 . 0 0 "[ . 1 . 2]" 1
1640 1 89 ALA MB 1 111 VAL H . . 5.500 5.104 4.902 5.259 . 0 0 "[ . 1 . 2]" 1
1641 1 90 LEU H 1 90 LEU HB2 . . 3.610 3.452 3.356 3.519 . 0 0 "[ . 1 . 2]" 1
1642 1 90 LEU H 1 90 LEU HB3 . . 3.080 2.133 2.058 2.222 . 0 0 "[ . 1 . 2]" 1
1643 1 90 LEU H 1 90 LEU QD . . 4.130 3.175 3.000 3.359 . 0 0 "[ . 1 . 2]" 1
1644 1 90 LEU H 1 90 LEU HG . . 3.480 3.175 2.924 3.443 . 0 0 "[ . 1 . 2]" 1
1645 1 90 LEU H 1 91 LYS H . . 3.580 2.696 2.595 2.756 . 0 0 "[ . 1 . 2]" 1
1646 1 90 LEU H 1 91 LYS HB2 . . 5.140 4.694 4.517 4.816 . 0 0 "[ . 1 . 2]" 1
1647 1 90 LEU H 1 92 ALA H . . 5.340 5.062 4.769 5.204 . 0 0 "[ . 1 . 2]" 1
1648 1 90 LEU H 1 93 MET HB2 . . 5.500 4.759 4.629 4.893 . 0 0 "[ . 1 . 2]" 1
1649 1 90 LEU H 1 93 MET QB . . 4.840 4.038 3.969 4.149 . 0 0 "[ . 1 . 2]" 1
1650 1 90 LEU H 1 93 MET HB3 . . 5.500 4.365 4.284 4.482 . 0 0 "[ . 1 . 2]" 1
1651 1 90 LEU HA 1 90 LEU QD . . 3.440 3.179 3.036 3.274 . 0 0 "[ . 1 . 2]" 1
1652 1 90 LEU HA 1 93 MET ME . . 3.180 1.919 1.884 1.955 . 0 0 "[ . 1 . 2]" 1
1653 1 90 LEU HA 1 93 MET HG2 . . 4.450 3.527 3.305 3.957 . 0 0 "[ . 1 . 2]" 1
1654 1 90 LEU HA 1 94 LYS H . . 4.010 3.742 3.608 3.938 . 0 0 "[ . 1 . 2]" 1
1655 1 90 LEU HB2 1 90 LEU MD1 . . 3.210 2.081 1.977 2.232 . 0 0 "[ . 1 . 2]" 1
1656 1 90 LEU HB2 1 90 LEU MD2 . . 3.210 2.682 2.637 2.746 . 0 0 "[ . 1 . 2]" 1
1657 1 90 LEU HB2 1 91 LYS H . . 4.250 4.120 4.061 4.170 . 0 0 "[ . 1 . 2]" 1
1658 1 90 LEU HB2 1 93 MET ME . . 3.470 3.088 2.789 3.547 0.077 1 0 "[ . 1 . 2]" 1
1659 1 90 LEU HB3 1 90 LEU QD . . 2.780 2.079 1.987 2.128 . 0 0 "[ . 1 . 2]" 1
1660 1 90 LEU HB3 1 91 LYS H . . 3.890 3.589 3.410 3.718 . 0 0 "[ . 1 . 2]" 1
1661 1 90 LEU QD 1 91 LYS HA . . 3.080 2.715 2.469 3.003 . 0 0 "[ . 1 . 2]" 1
1662 1 90 LEU QD 1 91 LYS QG . . 4.670 2.940 2.714 3.177 . 0 0 "[ . 1 . 2]" 1
1663 1 90 LEU QD 1 94 LYS H . . 4.200 3.920 3.739 4.043 . 0 0 "[ . 1 . 2]" 1
1664 1 90 LEU QD 1 94 LYS HB3 . . 3.890 3.602 3.313 3.835 . 0 0 "[ . 1 . 2]" 1
1665 1 90 LEU HG 1 91 LYS H . . 3.960 2.121 1.990 2.242 . 0 0 "[ . 1 . 2]" 1
1666 1 90 LEU HG 1 91 LYS HA . . 3.510 3.160 2.983 3.296 . 0 0 "[ . 1 . 2]" 1
1667 1 90 LEU HG 1 91 LYS QG . . 4.280 2.656 2.393 3.114 . 0 0 "[ . 1 . 2]" 1
1668 1 91 LYS H 1 91 LYS HB2 . . 3.220 2.295 2.160 2.369 . 0 0 "[ . 1 . 2]" 1
1669 1 91 LYS H 1 91 LYS HE2 . . 5.500 5.269 4.601 5.593 0.093 11 0 "[ . 1 . 2]" 1
1670 1 91 LYS H 1 91 LYS HE3 . . 5.500 5.127 3.771 5.630 0.130 5 0 "[ . 1 . 2]" 1
1671 1 91 LYS H 1 91 LYS HG2 . . 4.330 2.761 2.506 3.442 . 0 0 "[ . 1 . 2]" 1
1672 1 91 LYS H 1 91 LYS QG . . 3.660 2.619 2.478 2.972 . 0 0 "[ . 1 . 2]" 1
1673 1 91 LYS H 1 91 LYS HG3 . . 4.330 3.521 3.080 3.911 . 0 0 "[ . 1 . 2]" 1
1674 1 91 LYS H 1 92 ALA H . . 3.670 3.091 2.997 3.140 . 0 0 "[ . 1 . 2]" 1
1675 1 91 LYS H 1 92 ALA MB . . 4.780 4.621 4.534 4.674 . 0 0 "[ . 1 . 2]" 1
1676 1 91 LYS H 1 93 MET H . . 4.140 3.668 3.614 3.747 . 0 0 "[ . 1 . 2]" 1
1677 1 91 LYS H 1 93 MET ME . . 4.850 4.733 4.618 4.864 0.014 13 0 "[ . 1 . 2]" 1
1678 1 91 LYS HA 1 91 LYS HD2 . . 3.800 3.360 1.993 3.942 0.142 3 0 "[ . 1 . 2]" 1
1679 1 91 LYS HA 1 91 LYS QD . . 3.280 2.610 1.898 3.367 0.087 19 0 "[ . 1 . 2]" 1
1680 1 91 LYS HA 1 91 LYS HD3 . . 3.800 2.842 1.951 3.899 0.099 8 0 "[ . 1 . 2]" 1
1681 1 91 LYS HA 1 91 LYS HE2 . . 5.500 4.217 2.091 5.169 . 0 0 "[ . 1 . 2]" 1
1682 1 91 LYS HA 1 91 LYS QE . . 4.810 3.733 1.975 4.650 . 0 0 "[ . 1 . 2]" 1
1683 1 91 LYS HA 1 91 LYS HE3 . . 5.500 4.288 1.991 5.277 . 0 0 "[ . 1 . 2]" 1
1684 1 91 LYS HA 1 91 LYS HG2 . . 3.840 2.581 2.088 3.169 . 0 0 "[ . 1 . 2]" 1
1685 1 91 LYS HA 1 91 LYS QG . . 3.340 2.514 2.067 2.977 . 0 0 "[ . 1 . 2]" 1
1686 1 91 LYS HA 1 91 LYS HG3 . . 3.840 3.601 3.322 3.702 . 0 0 "[ . 1 . 2]" 1
1687 1 91 LYS HA 2 6 VAL QG . . 4.720 2.878 2.587 3.103 . 0 0 "[ . 1 . 2]" 1
1688 1 91 LYS HB2 1 92 ALA H . . 3.820 2.181 2.062 2.418 . 0 0 "[ . 1 . 2]" 1
1689 1 91 LYS HB2 1 92 ALA MB . . 4.870 3.724 3.631 3.950 . 0 0 "[ . 1 . 2]" 1
1690 1 91 LYS HB3 1 92 ALA H . . 3.680 2.656 2.427 2.946 . 0 0 "[ . 1 . 2]" 1
1691 1 91 LYS HB3 1 92 ALA MB . . 4.590 3.940 3.711 4.151 . 0 0 "[ . 1 . 2]" 1
1692 1 91 LYS QD 2 6 VAL QG . . 4.330 1.811 1.722 1.865 . 0 0 "[ . 1 . 2]" 1
1693 1 91 LYS QE 1 91 LYS QG . . 3.260 2.111 2.006 2.390 . 0 0 "[ . 1 . 2]" 1
1694 1 91 LYS QG 2 6 VAL QG . . 4.470 3.153 2.559 3.623 . 0 0 "[ . 1 . 2]" 1
1695 1 91 LYS HG2 1 92 ALA H . . 4.690 4.449 4.262 4.620 . 0 0 "[ . 1 . 2]" 1
1696 1 91 LYS HG3 1 92 ALA H . . 4.690 4.432 4.290 4.549 . 0 0 "[ . 1 . 2]" 1
1697 1 92 ALA H 1 92 ALA MB . . 3.080 2.069 2.049 2.092 . 0 0 "[ . 1 . 2]" 1
1698 1 92 ALA H 1 93 MET H . . 3.400 2.670 2.549 2.729 . 0 0 "[ . 1 . 2]" 1
1699 1 92 ALA H 2 6 VAL QG . . 4.720 4.572 4.164 4.740 0.020 3 0 "[ . 1 . 2]" 1
1700 1 92 ALA HA 1 95 GLN H . . 3.830 3.331 3.191 3.434 . 0 0 "[ . 1 . 2]" 1
1701 1 92 ALA HA 1 95 GLN HB2 . . 4.090 2.004 1.960 2.098 . 0 0 "[ . 1 . 2]" 1
1702 1 92 ALA HA 1 95 GLN HB3 . . 4.330 3.449 3.233 3.632 . 0 0 "[ . 1 . 2]" 1
1703 1 92 ALA HA 1 95 GLN HG3 . . 4.380 3.722 3.567 3.868 . 0 0 "[ . 1 . 2]" 1
1704 1 92 ALA HA 1 96 TYR H . . 4.830 3.900 3.754 3.995 . 0 0 "[ . 1 . 2]" 1
1705 1 92 ALA HA 1 96 TYR HD2 . . 4.480 4.072 3.838 4.192 . 0 0 "[ . 1 . 2]" 1
1706 1 92 ALA MB 1 93 MET H . . 3.470 2.943 2.892 3.013 . 0 0 "[ . 1 . 2]" 1
1707 1 92 ALA MB 1 93 MET HA . . 3.890 3.791 3.773 3.813 . 0 0 "[ . 1 . 2]" 1
1708 1 92 ALA MB 1 94 LYS H . . 5.500 5.026 4.828 5.149 . 0 0 "[ . 1 . 2]" 1
1709 1 92 ALA MB 1 96 TYR HB2 . . 4.830 3.951 3.880 4.009 . 0 0 "[ . 1 . 2]" 1
1710 1 92 ALA MB 1 96 TYR HD2 . . 3.890 2.640 2.499 2.719 . 0 0 "[ . 1 . 2]" 1
1711 1 92 ALA MB 1 96 TYR QE . . 3.930 2.244 2.176 2.322 . 0 0 "[ . 1 . 2]" 1
1712 1 92 ALA MB 2 6 VAL QG . . 5.440 4.880 4.546 5.020 . 0 0 "[ . 1 . 2]" 1
1713 1 93 MET H 1 93 MET HB2 . . 3.570 2.722 2.697 2.797 . 0 0 "[ . 1 . 2]" 1
1714 1 93 MET H 1 93 MET HB3 . . 3.570 2.342 2.281 2.363 . 0 0 "[ . 1 . 2]" 1
1715 1 93 MET H 1 93 MET ME . . 4.220 4.099 3.875 4.212 . 0 0 "[ . 1 . 2]" 1
1716 1 93 MET H 1 93 MET HG2 . . 4.460 4.353 4.244 4.406 . 0 0 "[ . 1 . 2]" 1
1717 1 93 MET H 1 93 MET HG3 . . 4.640 4.445 4.401 4.564 . 0 0 "[ . 1 . 2]" 1
1718 1 93 MET H 1 94 LYS H . . 3.770 2.850 2.768 2.950 . 0 0 "[ . 1 . 2]" 1
1719 1 93 MET H 1 94 LYS HG2 . . 4.860 4.382 4.219 4.893 0.033 15 0 "[ . 1 . 2]" 1
1720 1 93 MET H 1 94 LYS HG3 . . 5.500 5.379 4.557 5.533 0.033 13 0 "[ . 1 . 2]" 1
1721 1 93 MET H 1 95 GLN H . . 3.830 3.635 3.556 3.823 . 0 0 "[ . 1 . 2]" 1
1722 1 93 MET H 1 108 ILE HB . . 5.500 5.212 5.003 5.390 . 0 0 "[ . 1 . 2]" 1
1723 1 93 MET H 1 108 ILE MG . . 4.140 3.889 3.751 3.996 . 0 0 "[ . 1 . 2]" 1
1724 1 93 MET HA 1 93 MET HG2 . . 3.840 3.597 3.232 3.738 . 0 0 "[ . 1 . 2]" 1
1725 1 93 MET HA 1 93 MET HG3 . . 4.140 2.618 2.568 2.831 . 0 0 "[ . 1 . 2]" 1
1726 1 93 MET HA 1 108 ILE HB . . 4.180 2.403 2.210 2.571 . 0 0 "[ . 1 . 2]" 1
1727 1 93 MET HA 1 108 ILE MD . . 3.930 3.651 3.476 3.831 . 0 0 "[ . 1 . 2]" 1
1728 1 93 MET HA 1 108 ILE HG13 . . 4.420 4.239 4.132 4.394 . 0 0 "[ . 1 . 2]" 1
1729 1 93 MET HA 1 108 ILE MG . . 3.530 2.087 1.968 2.175 . 0 0 "[ . 1 . 2]" 1
1730 1 93 MET ME 1 94 LYS H . . 4.310 4.158 3.966 4.467 0.157 17 0 "[ . 1 . 2]" 1
1731 1 93 MET ME 1 108 ILE MG . . 3.740 3.482 2.798 3.627 . 0 0 "[ . 1 . 2]" 1
1732 1 93 MET ME 1 110 LEU H . . 4.150 3.787 3.149 4.127 . 0 0 "[ . 1 . 2]" 1
1733 1 93 MET ME 1 110 LEU HA . . 3.720 3.541 2.773 3.838 0.118 16 0 "[ . 1 . 2]" 1
1734 1 93 MET ME 1 110 LEU HB2 . . 4.210 2.033 1.920 2.218 . 0 0 "[ . 1 . 2]" 1
1735 1 93 MET ME 1 110 LEU QB . . 3.570 2.015 1.854 2.199 . 0 0 "[ . 1 . 2]" 1
1736 1 93 MET ME 1 110 LEU HB3 . . 4.210 3.354 2.447 3.608 . 0 0 "[ . 1 . 2]" 1
1737 1 93 MET ME 1 110 LEU MD1 . . 3.100 1.992 1.859 3.126 0.026 11 0 "[ . 1 . 2]" 1
1738 1 93 MET ME 1 110 LEU MD2 . . 3.100 2.464 2.074 3.396 0.296 13 0 "[ . 1 . 2]" 1
1739 1 93 MET ME 1 110 LEU HG . . 4.000 3.686 1.914 4.125 0.125 11 0 "[ . 1 . 2]" 1
1740 1 93 MET HG2 1 94 LYS H . . 3.760 3.016 2.708 3.241 . 0 0 "[ . 1 . 2]" 1
1741 1 93 MET HG2 1 94 LYS HB3 . . 3.820 3.590 3.462 3.746 . 0 0 "[ . 1 . 2]" 1
1742 1 93 MET HG2 1 108 ILE MG . . 4.090 3.500 3.429 3.621 . 0 0 "[ . 1 . 2]" 1
1743 1 93 MET HG3 1 94 LYS H . . 4.300 3.819 3.502 4.165 . 0 0 "[ . 1 . 2]" 1
1744 1 93 MET HG3 1 94 LYS HA . . 4.490 4.054 3.726 4.555 0.065 1 0 "[ . 1 . 2]" 1
1745 1 93 MET HG3 1 97 LYS HA . . 5.500 4.825 4.648 5.325 . 0 0 "[ . 1 . 2]" 1
1746 1 93 MET HG3 1 97 LYS QB . . 4.450 3.480 3.180 4.134 . 0 0 "[ . 1 . 2]" 1
1747 1 93 MET HG3 1 108 ILE H . . 5.110 4.518 4.291 4.834 . 0 0 "[ . 1 . 2]" 1
1748 1 93 MET HG3 1 108 ILE HB . . 4.240 2.970 2.796 3.249 . 0 0 "[ . 1 . 2]" 1
1749 1 93 MET HG3 1 108 ILE MD . . 5.050 4.810 4.633 5.068 0.018 1 0 "[ . 1 . 2]" 1
1750 1 93 MET HG3 1 108 ILE MG . . 3.770 2.103 1.963 2.317 . 0 0 "[ . 1 . 2]" 1
1751 1 94 LYS H 1 94 LYS HB3 . . 3.060 2.514 2.455 2.592 . 0 0 "[ . 1 . 2]" 1
1752 1 94 LYS H 1 94 LYS HD2 . . 5.500 4.451 4.187 4.729 . 0 0 "[ . 1 . 2]" 1
1753 1 94 LYS H 1 94 LYS QD . . 4.780 4.028 3.836 4.275 . 0 0 "[ . 1 . 2]" 1
1754 1 94 LYS H 1 94 LYS HD3 . . 5.500 4.613 4.191 4.875 . 0 0 "[ . 1 . 2]" 1
1755 1 94 LYS H 1 94 LYS HG2 . . 3.680 2.316 2.185 2.748 . 0 0 "[ . 1 . 2]" 1
1756 1 94 LYS H 1 94 LYS HG3 . . 4.250 3.223 2.518 3.383 . 0 0 "[ . 1 . 2]" 1
1757 1 94 LYS H 1 95 GLN H . . 3.400 2.494 2.404 2.582 . 0 0 "[ . 1 . 2]" 1
1758 1 94 LYS H 1 95 GLN HB2 . . 5.500 4.528 4.360 4.717 . 0 0 "[ . 1 . 2]" 1
1759 1 94 LYS HA 1 94 LYS HG2 . . 4.090 3.856 3.800 4.082 . 0 0 "[ . 1 . 2]" 1
1760 1 94 LYS HA 1 94 LYS HG3 . . 4.070 3.661 3.570 3.700 . 0 0 "[ . 1 . 2]" 1
1761 1 94 LYS HA 1 108 ILE MG . . 5.500 5.426 5.330 5.529 0.029 3 0 "[ . 1 . 2]" 1
1762 1 94 LYS HB2 1 94 LYS QD . . 3.190 2.463 1.981 2.778 . 0 0 "[ . 1 . 2]" 1
1763 1 94 LYS HB2 1 94 LYS HE2 . . 4.070 3.106 2.027 4.021 . 0 0 "[ . 1 . 2]" 1
1764 1 94 LYS HB2 1 94 LYS QE . . 3.500 2.624 2.015 3.355 . 0 0 "[ . 1 . 2]" 1
1765 1 94 LYS HB2 1 94 LYS HE3 . . 4.070 3.211 2.344 4.073 0.003 17 0 "[ . 1 . 2]" 1
1766 1 94 LYS HB2 1 95 GLN H . . 4.560 4.155 3.987 4.260 . 0 0 "[ . 1 . 2]" 1
1767 1 94 LYS HB2 1 97 LYS H . . 5.500 5.235 5.053 5.377 . 0 0 "[ . 1 . 2]" 1
1768 1 94 LYS HB3 1 94 LYS QD . . 3.550 2.672 2.354 3.145 . 0 0 "[ . 1 . 2]" 1
1769 1 94 LYS HB3 1 95 GLN H . . 4.860 4.101 3.991 4.179 . 0 0 "[ . 1 . 2]" 1
1770 1 94 LYS QE 1 94 LYS HG2 . . 3.670 2.881 2.199 3.526 . 0 0 "[ . 1 . 2]" 1
1771 1 94 LYS QE 1 94 LYS HG3 . . 3.690 2.710 2.045 3.382 . 0 0 "[ . 1 . 2]" 1
1772 1 94 LYS HG2 1 95 GLN H . . 4.570 3.121 2.763 3.887 . 0 0 "[ . 1 . 2]" 1
1773 1 94 LYS HG2 2 6 VAL QG . . 5.440 3.988 3.634 4.296 . 0 0 "[ . 1 . 2]" 1
1774 1 94 LYS HG3 1 95 GLN H . . 4.440 2.791 2.314 3.082 . 0 0 "[ . 1 . 2]" 1
1775 1 94 LYS HG3 1 95 GLN HA . . 3.810 3.398 3.281 3.684 . 0 0 "[ . 1 . 2]" 1
1776 1 94 LYS HG3 1 95 GLN HG2 . . 3.890 2.672 2.363 2.779 . 0 0 "[ . 1 . 2]" 1
1777 1 95 GLN H 1 95 GLN HB2 . . 3.410 2.305 2.212 2.366 . 0 0 "[ . 1 . 2]" 1
1778 1 95 GLN H 1 95 GLN HB3 . . 3.630 3.568 3.501 3.601 . 0 0 "[ . 1 . 2]" 1
1779 1 95 GLN H 1 95 GLN HG2 . . 3.670 2.830 2.688 3.104 . 0 0 "[ . 1 . 2]" 1
1780 1 95 GLN H 1 95 GLN HG3 . . 4.480 4.066 3.980 4.181 . 0 0 "[ . 1 . 2]" 1
1781 1 95 GLN H 1 96 TYR HB2 . . 4.610 4.512 4.400 4.654 0.044 20 0 "[ . 1 . 2]" 1
1782 1 95 GLN H 1 97 LYS H . . 4.250 3.581 3.484 3.713 . 0 0 "[ . 1 . 2]" 1
1783 1 95 GLN HA 1 95 GLN HE21 . . 4.430 2.821 2.490 3.113 . 0 0 "[ . 1 . 2]" 1
1784 1 95 GLN HA 1 95 GLN HE22 . . 4.230 3.200 2.944 3.377 . 0 0 "[ . 1 . 2]" 1
1785 1 95 GLN HA 1 95 GLN HG2 . . 3.440 3.029 2.858 3.210 . 0 0 "[ . 1 . 2]" 1
1786 1 95 GLN HA 1 96 TYR H . . 3.490 3.438 3.400 3.474 . 0 0 "[ . 1 . 2]" 1
1787 1 95 GLN HB2 1 95 GLN HE21 . . 4.070 3.592 3.530 3.719 . 0 0 "[ . 1 . 2]" 1
1788 1 95 GLN HB2 1 95 GLN HE22 . . 4.960 4.885 4.862 4.943 . 0 0 "[ . 1 . 2]" 1
1789 1 95 GLN HB2 1 96 TYR H . . 3.510 3.118 2.989 3.231 . 0 0 "[ . 1 . 2]" 1
1790 1 95 GLN HB2 2 6 VAL MG1 . . 5.500 4.219 3.766 4.687 . 0 0 "[ . 1 . 2]" 1
1791 1 95 GLN HB2 2 6 VAL MG2 . . 5.500 4.105 3.991 4.382 . 0 0 "[ . 1 . 2]" 1
1792 1 95 GLN HB3 1 95 GLN HE21 . . 3.920 2.083 1.986 2.255 . 0 0 "[ . 1 . 2]" 1
1793 1 95 GLN HB3 1 95 GLN HE22 . . 3.800 3.636 3.534 3.746 . 0 0 "[ . 1 . 2]" 1
1794 1 95 GLN HB3 1 96 TYR H . . 4.560 3.837 3.728 3.935 . 0 0 "[ . 1 . 2]" 1
1795 1 95 GLN HE22 1 95 GLN HG3 . . 3.910 3.677 3.614 3.697 . 0 0 "[ . 1 . 2]" 1
1796 1 95 GLN HE22 2 6 VAL QG . . 5.440 2.914 2.705 3.374 . 0 0 "[ . 1 . 2]" 1
1797 1 95 GLN HG2 2 6 VAL QG . . 5.440 2.393 2.054 2.648 . 0 0 "[ . 1 . 2]" 1
1798 1 96 TYR H 1 96 TYR HB2 . . 3.800 2.503 2.466 2.544 . 0 0 "[ . 1 . 2]" 1
1799 1 96 TYR H 1 97 LYS H . . 3.350 2.011 1.893 2.226 . 0 0 "[ . 1 . 2]" 1
1800 1 96 TYR H 1 97 LYS QB . . 4.680 3.776 3.696 3.863 . 0 0 "[ . 1 . 2]" 1
1801 1 96 TYR H 1 99 VAL QG . . 4.720 4.199 4.110 4.374 . 0 0 "[ . 1 . 2]" 1
1802 1 96 TYR H 1 106 MET ME . . 4.810 4.670 4.560 4.845 0.035 8 0 "[ . 1 . 2]" 1
1803 1 96 TYR H 1 108 ILE MD . . 4.180 3.855 3.781 3.921 . 0 0 "[ . 1 . 2]" 1
1804 1 96 TYR HA 1 96 TYR HD1 . . 4.140 1.877 1.850 1.907 . 0 0 "[ . 1 . 2]" 1
1805 1 96 TYR HA 1 96 TYR HD2 . . 4.650 4.635 4.619 4.647 . 0 0 "[ . 1 . 2]" 1
1806 1 96 TYR HA 1 96 TYR QE . . 4.510 4.234 4.211 4.256 . 0 0 "[ . 1 . 2]" 1
1807 1 96 TYR HA 1 99 VAL H . . 3.890 3.557 3.521 3.628 . 0 0 "[ . 1 . 2]" 1
1808 1 96 TYR HA 1 99 VAL MG1 . . 4.170 2.203 1.982 2.450 . 0 0 "[ . 1 . 2]" 1
1809 1 96 TYR HA 1 99 VAL QG . . 3.220 2.178 1.975 2.390 . 0 0 "[ . 1 . 2]" 1
1810 1 96 TYR HA 1 99 VAL MG2 . . 4.170 3.503 3.247 3.866 . 0 0 "[ . 1 . 2]" 1
1811 1 96 TYR HA 1 106 MET ME . . 3.480 2.681 2.409 3.032 . 0 0 "[ . 1 . 2]" 1
1812 1 96 TYR HA 1 108 ILE MD . . 4.670 3.820 3.730 3.874 . 0 0 "[ . 1 . 2]" 1
1813 1 96 TYR HB2 1 97 LYS H . . 4.320 3.370 3.182 3.726 . 0 0 "[ . 1 . 2]" 1
1814 1 96 TYR HB2 1 108 ILE MD . . 4.340 2.054 1.993 2.156 . 0 0 "[ . 1 . 2]" 1
1815 1 96 TYR HB3 1 106 MET ME . . 3.380 1.913 1.887 1.949 . 0 0 "[ . 1 . 2]" 1
1816 1 96 TYR HB3 1 106 MET HG2 . . 5.500 4.989 4.886 5.152 . 0 0 "[ . 1 . 2]" 1
1817 1 96 TYR HB3 1 108 ILE MD . . 4.500 1.980 1.926 2.072 . 0 0 "[ . 1 . 2]" 1
1818 1 96 TYR HD1 1 97 LYS H . . 5.150 4.952 4.825 5.026 . 0 0 "[ . 1 . 2]" 1
1819 1 96 TYR HD1 1 99 VAL H . . 5.500 5.194 5.139 5.278 . 0 0 "[ . 1 . 2]" 1
1820 1 96 TYR HD1 1 99 VAL HB . . 5.200 3.674 3.426 3.988 . 0 0 "[ . 1 . 2]" 1
1821 1 96 TYR HD1 1 99 VAL MG1 . . 4.700 2.253 2.082 2.472 . 0 0 "[ . 1 . 2]" 1
1822 1 96 TYR HD1 1 99 VAL QG . . 3.490 2.243 2.075 2.452 . 0 0 "[ . 1 . 2]" 1
1823 1 96 TYR HD1 1 99 VAL MG2 . . 4.700 4.137 3.896 4.429 . 0 0 "[ . 1 . 2]" 1
1824 1 96 TYR HD1 1 106 MET ME . . 3.360 2.578 2.407 2.886 . 0 0 "[ . 1 . 2]" 1
1825 1 96 TYR HD2 1 108 ILE MD . . 3.990 2.883 2.655 3.215 . 0 0 "[ . 1 . 2]" 1
1826 1 96 TYR HD2 1 108 ILE MG . . 4.640 4.479 4.371 4.640 . 0 0 "[ . 1 . 2]" 1
1827 1 96 TYR QE 1 99 VAL QG . . 4.150 3.630 3.501 3.746 . 0 0 "[ . 1 . 2]" 1
1828 1 96 TYR QE 1 106 MET ME . . 3.930 3.381 3.262 3.609 . 0 0 "[ . 1 . 2]" 1
1829 1 96 TYR QE 2 10 LEU QD . . 3.280 1.871 1.842 1.900 . 0 0 "[ . 1 . 2]" 1
1830 1 96 TYR QE 2 10 LEU HG . . 4.780 4.146 3.940 4.245 . 0 0 "[ . 1 . 2]" 1
1831 1 97 LYS H 1 97 LYS HB2 . . 3.490 2.554 2.250 2.661 . 0 0 "[ . 1 . 2]" 1
1832 1 97 LYS H 1 97 LYS QB . . 2.990 2.235 2.168 2.268 . 0 0 "[ . 1 . 2]" 1
1833 1 97 LYS H 1 97 LYS HB3 . . 3.490 2.501 2.389 2.833 . 0 0 "[ . 1 . 2]" 1
1834 1 97 LYS H 1 97 LYS HD2 . . 5.500 4.558 4.199 5.270 . 0 0 "[ . 1 . 2]" 1
1835 1 97 LYS H 1 97 LYS HD3 . . 5.500 4.848 4.345 5.525 0.025 11 0 "[ . 1 . 2]" 1
1836 1 97 LYS H 1 97 LYS QG . . 4.310 4.020 3.854 4.063 . 0 0 "[ . 1 . 2]" 1
1837 1 97 LYS H 1 98 GLY H . . 4.580 4.392 4.374 4.411 . 0 0 "[ . 1 . 2]" 1
1838 1 97 LYS H 1 99 VAL QG . . 4.700 4.121 3.996 4.213 . 0 0 "[ . 1 . 2]" 1
1839 1 97 LYS H 1 108 ILE MD . . 4.260 3.729 3.577 4.022 . 0 0 "[ . 1 . 2]" 1
1840 1 97 LYS H 1 108 ILE MG . . 5.500 5.079 4.805 5.449 . 0 0 "[ . 1 . 2]" 1
1841 1 97 LYS HA 1 97 LYS HD2 . . 4.940 3.391 2.085 4.593 . 0 0 "[ . 1 . 2]" 1
1842 1 97 LYS HA 1 97 LYS QD . . 4.140 3.034 2.014 3.885 . 0 0 "[ . 1 . 2]" 1
1843 1 97 LYS HA 1 97 LYS HD3 . . 4.940 3.512 2.508 4.557 . 0 0 "[ . 1 . 2]" 1
1844 1 97 LYS HA 1 97 LYS QG . . 3.680 2.729 2.190 3.140 . 0 0 "[ . 1 . 2]" 1
1845 1 97 LYS HA 1 98 GLY H . . 3.560 2.157 2.153 2.161 . 0 0 "[ . 1 . 2]" 1
1846 1 97 LYS HA 1 98 GLY HA3 . . 4.550 4.358 4.354 4.363 . 0 0 "[ . 1 . 2]" 1
1847 1 97 LYS HA 1 99 VAL H . . 3.720 3.654 3.621 3.680 . 0 0 "[ . 1 . 2]" 1
1848 1 97 LYS HA 1 107 ASP HA . . 4.600 2.676 2.339 3.013 . 0 0 "[ . 1 . 2]" 1
1849 1 97 LYS HA 1 107 ASP QB . . 5.340 4.387 3.945 4.905 . 0 0 "[ . 1 . 2]" 1
1850 1 97 LYS HA 1 108 ILE H . . 4.350 2.310 2.113 2.460 . 0 0 "[ . 1 . 2]" 1
1851 1 97 LYS HA 1 108 ILE HB . . 4.570 3.471 3.235 3.638 . 0 0 "[ . 1 . 2]" 1
1852 1 97 LYS HA 1 108 ILE MD . . 3.410 3.272 3.131 3.357 . 0 0 "[ . 1 . 2]" 1
1853 1 97 LYS HA 1 108 ILE MG . . 4.980 4.829 4.621 4.968 . 0 0 "[ . 1 . 2]" 1
1854 1 97 LYS QB 1 97 LYS QD . . 2.680 2.166 1.974 2.402 . 0 0 "[ . 1 . 2]" 1
1855 1 97 LYS QB 1 98 GLY HA3 . . 5.030 4.724 4.499 4.814 . 0 0 "[ . 1 . 2]" 1
1856 1 97 LYS QB 1 108 ILE H . . 4.690 3.796 3.386 4.216 . 0 0 "[ . 1 . 2]" 1
1857 1 97 LYS QB 1 108 ILE MD . . 4.410 4.358 4.205 4.438 0.028 6 0 "[ . 1 . 2]" 1
1858 1 97 LYS HB2 1 98 GLY H . . 5.260 4.385 4.322 4.534 . 0 0 "[ . 1 . 2]" 1
1859 1 97 LYS HB2 1 99 VAL H . . 5.500 5.443 5.326 5.525 0.025 16 0 "[ . 1 . 2]" 1
1860 1 97 LYS HB3 1 98 GLY H . . 5.260 4.412 4.247 4.477 . 0 0 "[ . 1 . 2]" 1
1861 1 97 LYS HB3 1 99 VAL H . . 5.500 4.850 4.730 4.983 . 0 0 "[ . 1 . 2]" 1
1862 1 97 LYS QD 1 98 GLY H . . 4.410 3.434 2.366 4.272 . 0 0 "[ . 1 . 2]" 1
1863 1 97 LYS QD 1 98 GLY HA2 . . 5.340 4.496 3.779 4.906 . 0 0 "[ . 1 . 2]" 1
1864 1 97 LYS QD 1 98 GLY HA3 . . 4.420 3.646 3.261 4.398 . 0 0 "[ . 1 . 2]" 1
1865 1 97 LYS QG 1 98 GLY H . . 3.650 3.306 3.045 3.673 0.023 7 0 "[ . 1 . 2]" 1
1866 1 97 LYS QG 1 98 GLY HA2 . . 5.080 4.527 4.339 4.829 . 0 0 "[ . 1 . 2]" 1
1867 1 97 LYS QG 1 98 GLY HA3 . . 5.340 3.632 3.518 4.340 . 0 0 "[ . 1 . 2]" 1
1868 1 97 LYS HG2 1 107 ASP HA . . 5.500 4.770 3.791 5.591 0.091 16 0 "[ . 1 . 2]" 1
1869 1 97 LYS HG2 1 108 ILE H . . 5.500 4.621 3.566 5.167 . 0 0 "[ . 1 . 2]" 1
1870 1 97 LYS HG3 1 107 ASP HA . . 5.500 5.146 4.570 5.502 0.002 1 0 "[ . 1 . 2]" 1
1871 1 97 LYS HG3 1 108 ILE H . . 5.500 4.954 4.593 5.179 . 0 0 "[ . 1 . 2]" 1
1872 1 98 GLY H 1 99 VAL H . . 3.680 2.695 2.667 2.726 . 0 0 "[ . 1 . 2]" 1
1873 1 98 GLY H 1 99 VAL QG . . 5.290 4.802 4.740 4.835 . 0 0 "[ . 1 . 2]" 1
1874 1 98 GLY H 1 106 MET ME . . 5.310 5.313 5.233 5.358 0.048 17 0 "[ . 1 . 2]" 1
1875 1 98 GLY H 1 107 ASP HA . . 4.600 1.933 1.896 1.991 . 0 0 "[ . 1 . 2]" 1
1876 1 98 GLY H 1 107 ASP HB2 . . 4.840 4.326 4.011 4.653 . 0 0 "[ . 1 . 2]" 1
1877 1 98 GLY H 1 107 ASP QB . . 3.980 3.708 3.394 3.928 . 0 0 "[ . 1 . 2]" 1
1878 1 98 GLY H 1 107 ASP HB3 . . 4.840 4.090 3.487 4.639 . 0 0 "[ . 1 . 2]" 1
1879 1 98 GLY H 1 108 ILE H . . 4.680 3.304 3.070 3.478 . 0 0 "[ . 1 . 2]" 1
1880 1 98 GLY H 1 108 ILE MD . . 4.230 4.003 3.681 4.210 . 0 0 "[ . 1 . 2]" 1
1881 1 98 GLY HA2 1 99 VAL QG . . 5.440 4.902 4.831 4.931 . 0 0 "[ . 1 . 2]" 1
1882 1 98 GLY HA3 1 99 VAL QG . . 5.440 4.698 4.476 4.800 . 0 0 "[ . 1 . 2]" 1
1883 1 98 GLY HA3 1 107 ASP QB . . 5.340 5.234 4.893 5.345 0.005 14 0 "[ . 1 . 2]" 1
1884 1 99 VAL H 1 99 VAL HB . . 3.960 2.274 2.211 2.344 . 0 0 "[ . 1 . 2]" 1
1885 1 99 VAL H 1 99 VAL MG1 . . 3.840 3.198 2.952 3.407 . 0 0 "[ . 1 . 2]" 1
1886 1 99 VAL H 1 99 VAL QG . . 3.080 2.946 2.831 2.995 . 0 0 "[ . 1 . 2]" 1
1887 1 99 VAL H 1 99 VAL MG2 . . 3.840 3.475 3.272 3.638 . 0 0 "[ . 1 . 2]" 1
1888 1 99 VAL H 1 100 PRO HD2 . . 5.500 4.833 4.822 4.842 . 0 0 "[ . 1 . 2]" 1
1889 1 99 VAL H 1 100 PRO QD . . 4.740 4.363 4.340 4.375 . 0 0 "[ . 1 . 2]" 1
1890 1 99 VAL H 1 100 PRO HD3 . . 5.500 4.969 4.903 5.013 . 0 0 "[ . 1 . 2]" 1
1891 1 99 VAL H 1 106 MET ME . . 3.970 3.940 3.879 3.994 0.024 10 0 "[ . 1 . 2]" 1
1892 1 99 VAL H 1 106 MET HG3 . . 4.560 3.846 3.769 3.990 . 0 0 "[ . 1 . 2]" 1
1893 1 99 VAL HA 1 99 VAL MG1 . . 3.320 2.902 2.772 3.015 . 0 0 "[ . 1 . 2]" 1
1894 1 99 VAL HA 1 99 VAL QG . . 2.860 1.961 1.879 2.079 . 0 0 "[ . 1 . 2]" 1
1895 1 99 VAL HA 1 99 VAL MG2 . . 3.320 1.996 1.901 2.148 . 0 0 "[ . 1 . 2]" 1
1896 1 99 VAL HA 1 100 PRO HG2 . . 4.610 4.403 4.341 4.447 . 0 0 "[ . 1 . 2]" 1
1897 1 99 VAL HA 1 100 PRO HG3 . . 4.610 4.398 4.363 4.425 . 0 0 "[ . 1 . 2]" 1
1898 1 99 VAL HA 2 12 ALA MB . . 5.500 5.586 5.494 5.660 0.160 8 0 "[ . 1 . 2]" 1
1899 1 99 VAL HB 1 106 MET ME . . 4.790 3.781 3.461 4.011 . 0 0 "[ . 1 . 2]" 1
1900 1 99 VAL HB 2 13 ARG QB . . 5.300 5.010 4.024 5.410 0.110 15 0 "[ . 1 . 2]" 1
1901 1 99 VAL QG 1 100 PRO QD . . 3.390 1.872 1.798 1.980 . 0 0 "[ . 1 . 2]" 1
1902 1 99 VAL QG 1 100 PRO QG . . 4.800 2.896 2.822 3.023 . 0 0 "[ . 1 . 2]" 1
1903 1 99 VAL QG 1 101 LEU MD2 . . 4.030 3.376 3.220 3.454 . 0 0 "[ . 1 . 2]" 1
1904 1 99 VAL QG 1 105 PRO HA . . 4.980 4.338 4.280 4.462 . 0 0 "[ . 1 . 2]" 1
1905 1 99 VAL QG 1 106 MET H . . 4.240 4.024 3.881 4.164 . 0 0 "[ . 1 . 2]" 1
1906 1 99 VAL QG 1 106 MET ME . . 2.740 2.238 2.068 2.374 . 0 0 "[ . 1 . 2]" 1
1907 1 99 VAL QG 1 106 MET HG3 . . 4.480 3.353 3.155 3.508 . 0 0 "[ . 1 . 2]" 1
1908 1 99 VAL QG 2 10 LEU QD . . 3.230 2.463 2.325 2.681 . 0 0 "[ . 1 . 2]" 1
1909 1 99 VAL QG 2 13 ARG H . . 4.810 3.962 3.694 4.137 . 0 0 "[ . 1 . 2]" 1
1910 1 99 VAL QG 2 13 ARG HA . . 3.470 1.930 1.783 2.110 . 0 0 "[ . 1 . 2]" 1
1911 1 99 VAL QG 2 13 ARG QB . . 3.360 2.604 1.870 2.885 . 0 0 "[ . 1 . 2]" 1
1912 1 99 VAL QG 2 13 ARG QD . . 4.850 3.684 1.812 4.291 . 0 0 "[ . 1 . 2]" 1
1913 1 99 VAL MG1 1 100 PRO HD2 . . 5.700 2.257 2.091 2.721 . 0 0 "[ . 1 . 2]" 1
1914 1 99 VAL MG1 1 100 PRO HD3 . . 5.700 3.540 3.426 3.866 . 0 0 "[ . 1 . 2]" 1
1915 1 99 VAL MG1 2 13 ARG HB2 . . 5.730 2.783 2.014 3.126 . 0 0 "[ . 1 . 2]" 1
1916 1 99 VAL MG1 2 13 ARG HB3 . . 5.730 3.875 2.678 4.474 . 0 0 "[ . 1 . 2]" 1
1917 1 99 VAL MG2 1 100 PRO HD2 . . 5.700 2.072 1.905 2.377 . 0 0 "[ . 1 . 2]" 1
1918 1 99 VAL MG2 1 100 PRO HD3 . . 5.700 3.147 2.894 3.498 . 0 0 "[ . 1 . 2]" 1
1919 1 99 VAL MG2 2 13 ARG HB2 . . 5.730 3.498 2.396 4.166 . 0 0 "[ . 1 . 2]" 1
1920 1 99 VAL MG2 2 13 ARG HB3 . . 5.730 4.316 3.621 4.855 . 0 0 "[ . 1 . 2]" 1
1921 1 100 PRO HA 1 101 LEU H . . 3.570 2.305 2.286 2.339 . 0 0 "[ . 1 . 2]" 1
1922 1 100 PRO HA 1 104 ARG H . . 3.820 3.322 3.268 3.399 . 0 0 "[ . 1 . 2]" 1
1923 1 100 PRO HA 1 105 PRO HA . . 4.290 1.918 1.883 1.945 . 0 0 "[ . 1 . 2]" 1
1924 1 100 PRO HA 1 105 PRO HB2 . . 5.020 4.522 4.478 4.565 . 0 0 "[ . 1 . 2]" 1
1925 1 100 PRO HA 1 105 PRO HB3 . . 4.260 3.550 3.491 3.612 . 0 0 "[ . 1 . 2]" 1
1926 1 100 PRO HA 1 106 MET H . . 3.630 3.500 3.428 3.546 . 0 0 "[ . 1 . 2]" 1
1927 1 100 PRO HB2 1 101 LEU H . . 3.520 2.873 2.776 2.929 . 0 0 "[ . 1 . 2]" 1
1928 1 100 PRO HB2 1 102 ASP H . . 3.990 3.682 3.473 3.907 . 0 0 "[ . 1 . 2]" 1
1929 1 100 PRO HB2 1 103 GLY H . . 3.990 3.088 2.992 3.156 . 0 0 "[ . 1 . 2]" 1
1930 1 100 PRO HB3 1 101 LEU H . . 3.580 3.593 3.539 3.624 0.044 19 0 "[ . 1 . 2]" 1
1931 1 100 PRO HB3 1 103 GLY H . . 4.400 4.343 4.256 4.416 0.016 15 0 "[ . 1 . 2]" 1
1932 1 100 PRO HB3 1 103 GLY HA2 . . 4.810 4.563 4.480 4.696 . 0 0 "[ . 1 . 2]" 1
1933 1 100 PRO HB3 1 104 ARG H . . 3.660 3.688 3.594 3.792 0.132 15 0 "[ . 1 . 2]" 1
1934 1 100 PRO HB3 1 105 PRO HD3 . . 4.240 3.923 3.867 4.028 . 0 0 "[ . 1 . 2]" 1
1935 1 100 PRO HB3 1 106 MET H . . 5.500 5.502 5.413 5.557 0.057 9 0 "[ . 1 . 2]" 1
1936 1 100 PRO QD 2 12 ALA MB . . 4.900 3.539 3.410 3.632 . 0 0 "[ . 1 . 2]" 1
1937 1 100 PRO QG 1 101 LEU H . . 4.240 4.332 4.273 4.366 0.126 19 0 "[ . 1 . 2]" 1
1938 1 100 PRO QG 2 12 ALA H . . 4.860 4.335 3.953 4.704 . 0 0 "[ . 1 . 2]" 1
1939 1 100 PRO QG 2 12 ALA MB . . 4.380 1.873 1.824 1.953 . 0 0 "[ . 1 . 2]" 1
1940 1 101 LEU H 1 101 LEU MD2 . . 4.340 4.120 4.049 4.154 . 0 0 "[ . 1 . 2]" 1
1941 1 101 LEU H 1 101 LEU HG . . 5.180 5.002 4.942 5.055 . 0 0 "[ . 1 . 2]" 1
1942 1 101 LEU H 1 103 GLY H . . 4.470 2.706 2.660 2.782 . 0 0 "[ . 1 . 2]" 1
1943 1 101 LEU H 1 103 GLY HA2 . . 4.610 4.521 4.462 4.611 0.001 19 0 "[ . 1 . 2]" 1
1944 1 101 LEU H 1 103 GLY HA3 . . 5.390 5.198 5.156 5.241 . 0 0 "[ . 1 . 2]" 1
1945 1 101 LEU H 1 104 ARG H . . 3.660 1.903 1.877 1.974 . 0 0 "[ . 1 . 2]" 1
1946 1 101 LEU H 1 104 ARG HA . . 4.220 4.086 4.061 4.112 . 0 0 "[ . 1 . 2]" 1
1947 1 101 LEU H 1 104 ARG QB . . 4.550 4.068 3.928 4.152 . 0 0 "[ . 1 . 2]" 1
1948 1 101 LEU H 1 104 ARG QG . . 5.340 2.525 2.481 2.611 . 0 0 "[ . 1 . 2]" 1
1949 1 101 LEU H 1 105 PRO HA . . 4.030 3.734 3.684 3.772 . 0 0 "[ . 1 . 2]" 1
1950 1 101 LEU H 1 106 MET H . . 5.130 4.912 4.804 4.998 . 0 0 "[ . 1 . 2]" 1
1951 1 101 LEU H 1 106 MET ME . . 4.390 4.316 4.174 4.432 0.042 6 0 "[ . 1 . 2]" 1
1952 1 101 LEU H 1 106 MET HG2 . . 5.000 3.951 3.825 4.053 . 0 0 "[ . 1 . 2]" 1
1953 1 101 LEU H 1 106 MET HG3 . . 5.150 4.829 4.717 4.948 . 0 0 "[ . 1 . 2]" 1
1954 1 101 LEU HA 1 101 LEU MD2 . . 3.640 1.943 1.928 1.988 . 0 0 "[ . 1 . 2]" 1
1955 1 101 LEU HA 1 101 LEU HG . . 4.150 3.697 3.679 3.720 . 0 0 "[ . 1 . 2]" 1
1956 1 101 LEU HA 1 102 ASP HA . . 4.560 4.453 4.412 4.502 . 0 0 "[ . 1 . 2]" 1
1957 1 101 LEU HA 1 103 GLY H . . 4.040 3.868 3.771 4.001 . 0 0 "[ . 1 . 2]" 1
1958 1 101 LEU HA 1 106 MET ME . . 4.520 3.338 3.224 3.448 . 0 0 "[ . 1 . 2]" 1
1959 1 101 LEU HA 1 106 MET HG3 . . 5.450 5.419 5.244 5.491 0.041 6 0 "[ . 1 . 2]" 1
1960 1 101 LEU QB 1 106 MET ME . . 3.520 2.131 1.944 2.416 . 0 0 "[ . 1 . 2]" 1
1961 1 101 LEU MD1 1 102 ASP H . . 3.890 3.426 3.293 3.532 . 0 0 "[ . 1 . 2]" 1
1962 1 101 LEU MD1 1 102 ASP HA . . 4.600 4.189 4.015 4.289 . 0 0 "[ . 1 . 2]" 1
1963 1 101 LEU MD1 1 103 GLY H . . 4.600 4.474 4.433 4.525 . 0 0 "[ . 1 . 2]" 1
1964 1 101 LEU MD2 1 102 ASP H . . 4.290 3.779 3.610 3.997 . 0 0 "[ . 1 . 2]" 1
1965 1 101 LEU MD2 1 102 ASP QB . . 4.880 4.106 3.765 4.820 . 0 0 "[ . 1 . 2]" 1
1966 1 101 LEU MD2 1 106 MET ME . . 3.390 1.904 1.813 2.068 . 0 0 "[ . 1 . 2]" 1
1967 1 101 LEU MD2 1 106 MET HG3 . . 5.170 4.386 4.163 4.568 . 0 0 "[ . 1 . 2]" 1
1968 1 101 LEU HG 1 104 ARG QD . . 5.340 5.113 4.751 5.501 0.161 20 0 "[ . 1 . 2]" 1
1969 1 101 LEU HG 1 106 MET ME . . 3.630 3.002 2.736 3.372 . 0 0 "[ . 1 . 2]" 1
1970 1 101 LEU HG 1 106 MET HG2 . . 4.350 4.115 3.925 4.304 . 0 0 "[ . 1 . 2]" 1
1971 1 101 LEU HG 1 106 MET HG3 . . 5.500 5.069 4.875 5.355 . 0 0 "[ . 1 . 2]" 1
1972 1 102 ASP H 1 103 GLY HA3 . . 5.240 5.180 5.144 5.217 . 0 0 "[ . 1 . 2]" 1
1973 1 102 ASP H 1 106 MET ME . . 5.500 5.387 5.272 5.512 0.012 20 0 "[ . 1 . 2]" 1
1974 1 102 ASP H 2 10 LEU QD . . 4.430 2.237 1.970 2.441 . 0 0 "[ . 1 . 2]" 1
1975 1 102 ASP H 2 10 LEU HG . . 4.960 4.794 4.501 4.987 0.027 15 0 "[ . 1 . 2]" 1
1976 1 102 ASP H 2 12 ALA MB . . 5.280 2.791 2.004 3.538 . 0 0 "[ . 1 . 2]" 1
1977 1 102 ASP HA 1 103 GLY H . . 3.490 3.160 3.077 3.206 . 0 0 "[ . 1 . 2]" 1
1978 1 102 ASP HA 2 11 GLY H . . 5.160 4.736 4.175 5.206 0.046 6 0 "[ . 1 . 2]" 1
1979 1 102 ASP HA 2 12 ALA H . . 3.610 3.308 2.876 3.670 0.060 14 0 "[ . 1 . 2]" 1
1980 1 102 ASP HA 2 12 ALA MB . . 4.710 3.667 2.689 4.463 . 0 0 "[ . 1 . 2]" 1
1981 1 102 ASP QB 1 103 GLY H . . 4.340 3.552 3.486 3.651 . 0 0 "[ . 1 . 2]" 1
1982 1 102 ASP QB 1 103 GLY HA3 . . 4.550 4.287 4.197 4.354 . 0 0 "[ . 1 . 2]" 1
1983 1 102 ASP QB 1 104 ARG H . . 5.340 4.658 4.393 4.865 . 0 0 "[ . 1 . 2]" 1
1984 1 102 ASP HB2 1 103 GLY H . . 4.980 4.201 3.723 4.369 . 0 0 "[ . 1 . 2]" 1
1985 1 102 ASP HB3 1 103 GLY H . . 4.980 3.891 3.709 4.503 . 0 0 "[ . 1 . 2]" 1
1986 1 103 GLY H 1 104 ARG H . . 3.690 1.930 1.880 2.008 . 0 0 "[ . 1 . 2]" 1
1987 1 103 GLY H 1 104 ARG QG . . 4.400 3.391 3.248 3.502 . 0 0 "[ . 1 . 2]" 1
1988 1 103 GLY HA3 1 104 ARG QG . . 5.340 4.630 4.384 4.812 . 0 0 "[ . 1 . 2]" 1
1989 1 104 ARG H 1 104 ARG QD . . 4.000 3.109 2.782 3.225 . 0 0 "[ . 1 . 2]" 1
1990 1 104 ARG H 1 104 ARG HE . . 5.500 5.583 5.296 5.716 0.216 18 0 "[ . 1 . 2]" 1
1991 1 104 ARG H 1 104 ARG QG . . 3.490 2.471 2.347 2.527 . 0 0 "[ . 1 . 2]" 1
1992 1 104 ARG H 1 105 PRO HA . . 4.650 4.502 4.413 4.606 . 0 0 "[ . 1 . 2]" 1
1993 1 104 ARG H 1 105 PRO HD2 . . 4.770 4.478 4.347 4.601 . 0 0 "[ . 1 . 2]" 1
1994 1 104 ARG H 1 106 MET HG2 . . 5.500 5.379 5.263 5.488 . 0 0 "[ . 1 . 2]" 1
1995 1 104 ARG HA 1 104 ARG HE . . 5.280 5.428 5.164 5.689 0.409 20 0 "[ . 1 . 2]" 1
1996 1 104 ARG HA 1 105 PRO HG2 . . 5.110 4.156 4.130 4.188 . 0 0 "[ . 1 . 2]" 1
1997 1 104 ARG HA 1 105 PRO QG . . 4.340 3.773 3.766 3.785 . 0 0 "[ . 1 . 2]" 1
1998 1 104 ARG HA 1 105 PRO HG3 . . 5.110 4.326 4.317 4.346 . 0 0 "[ . 1 . 2]" 1
1999 1 104 ARG QB 1 104 ARG QD . . 3.330 2.290 1.985 2.465 . 0 0 "[ . 1 . 2]" 1
2000 1 104 ARG QB 1 104 ARG HE . . 4.310 3.016 2.738 3.468 . 0 0 "[ . 1 . 2]" 1
2001 1 104 ARG QB 1 105 PRO HD2 . . 3.780 3.149 2.993 3.316 . 0 0 "[ . 1 . 2]" 1
2002 1 105 PRO HA 1 106 MET HB3 . . 5.170 4.997 4.943 5.131 . 0 0 "[ . 1 . 2]" 1
2003 1 105 PRO HA 1 106 MET HG2 . . 4.740 3.750 3.637 3.890 . 0 0 "[ . 1 . 2]" 1
2004 1 105 PRO HA 1 106 MET HG3 . . 5.140 3.755 3.646 3.856 . 0 0 "[ . 1 . 2]" 1
2005 1 105 PRO HB2 1 106 MET HA . . 4.500 4.233 4.197 4.267 . 0 0 "[ . 1 . 2]" 1
2006 1 105 PRO HB3 1 106 MET H . . 4.100 3.884 3.833 3.930 . 0 0 "[ . 1 . 2]" 1
2007 1 105 PRO HD3 1 106 MET H . . 5.500 5.588 5.582 5.592 0.092 15 0 "[ . 1 . 2]" 1
2008 1 106 MET H 1 106 MET HB2 . . 3.870 3.644 3.546 3.685 . 0 0 "[ . 1 . 2]" 1
2009 1 106 MET H 1 106 MET HB3 . . 3.970 3.605 3.576 3.690 . 0 0 "[ . 1 . 2]" 1
2010 1 106 MET H 1 106 MET ME . . 3.860 3.894 3.865 3.926 0.066 5 0 "[ . 1 . 2]" 1
2011 1 106 MET H 1 106 MET HG2 . . 4.120 2.860 2.737 2.997 . 0 0 "[ . 1 . 2]" 1
2012 1 106 MET H 1 106 MET HG3 . . 4.030 2.146 2.068 2.215 . 0 0 "[ . 1 . 2]" 1
2013 1 106 MET H 1 107 ASP H . . 4.510 4.429 4.412 4.441 . 0 0 "[ . 1 . 2]" 1
2014 1 106 MET H 1 107 ASP HA . . 5.020 4.790 4.755 4.817 . 0 0 "[ . 1 . 2]" 1
2015 1 106 MET HA 1 107 ASP H . . 3.260 2.349 2.308 2.392 . 0 0 "[ . 1 . 2]" 1
2016 1 106 MET HA 1 107 ASP QB . . 5.340 4.080 3.865 4.591 . 0 0 "[ . 1 . 2]" 1
2017 1 106 MET HA 1 108 ILE MD . . 4.940 4.730 4.596 4.836 . 0 0 "[ . 1 . 2]" 1
2018 1 106 MET HB2 1 108 ILE MD . . 3.490 2.794 2.653 2.919 . 0 0 "[ . 1 . 2]" 1
2019 1 106 MET HB3 1 107 ASP H . . 4.870 3.450 3.309 3.516 . 0 0 "[ . 1 . 2]" 1
2020 1 106 MET HB3 1 108 ILE MD . . 4.700 4.237 4.050 4.343 . 0 0 "[ . 1 . 2]" 1
2021 1 106 MET ME 1 106 MET HG2 . . 3.130 2.882 2.756 3.060 . 0 0 "[ . 1 . 2]" 1
2022 1 106 MET ME 1 106 MET HG3 . . 3.480 2.227 2.137 2.333 . 0 0 "[ . 1 . 2]" 1
2023 1 106 MET ME 1 108 ILE H . . 5.500 5.545 5.513 5.601 0.101 14 0 "[ . 1 . 2]" 1
2024 1 106 MET ME 1 108 ILE MD . . 3.770 2.922 2.769 3.100 . 0 0 "[ . 1 . 2]" 1
2025 1 106 MET ME 2 10 LEU QD . . 2.970 2.683 2.546 2.822 . 0 0 "[ . 1 . 2]" 1
2026 1 106 MET HG3 1 107 ASP H . . 5.500 4.569 4.506 4.707 . 0 0 "[ . 1 . 2]" 1
2027 1 106 MET HG3 1 108 ILE MD . . 5.500 3.769 3.491 3.989 . 0 0 "[ . 1 . 2]" 1
2028 1 106 MET HG3 2 10 LEU QD . . 5.440 4.919 4.767 5.025 . 0 0 "[ . 1 . 2]" 1
2029 1 107 ASP H 1 107 ASP HB2 . . 3.810 2.590 2.475 2.906 . 0 0 "[ . 1 . 2]" 1
2030 1 107 ASP H 1 107 ASP QB . . 3.220 2.530 2.434 2.822 . 0 0 "[ . 1 . 2]" 1
2031 1 107 ASP H 1 107 ASP HB3 . . 3.810 3.585 3.164 3.827 0.017 15 0 "[ . 1 . 2]" 1
2032 1 107 ASP H 1 108 ILE MD . . 3.800 3.556 3.470 3.712 . 0 0 "[ . 1 . 2]" 1
2033 1 107 ASP HA 1 108 ILE HA . . 4.550 4.388 4.382 4.396 . 0 0 "[ . 1 . 2]" 1
2034 1 107 ASP HA 1 108 ILE HB . . 5.500 4.400 4.368 4.458 . 0 0 "[ . 1 . 2]" 1
2035 1 107 ASP HA 1 108 ILE MD . . 4.920 3.230 3.191 3.307 . 0 0 "[ . 1 . 2]" 1
2036 1 107 ASP QB 1 108 ILE H . . 4.030 3.426 3.261 3.685 . 0 0 "[ . 1 . 2]" 1
2037 1 107 ASP QB 1 109 GLN H . . 5.340 5.275 4.984 5.349 0.009 17 0 "[ . 1 . 2]" 1
2038 1 108 ILE H 1 108 ILE HB . . 3.690 2.332 2.315 2.364 . 0 0 "[ . 1 . 2]" 1
2039 1 108 ILE H 1 108 ILE MD . . 4.010 2.397 2.328 2.519 . 0 0 "[ . 1 . 2]" 1
2040 1 108 ILE H 1 108 ILE MG . . 4.080 3.662 3.637 3.704 . 0 0 "[ . 1 . 2]" 1
2041 1 108 ILE H 1 109 GLN H . . 4.790 4.527 4.459 4.543 . 0 0 "[ . 1 . 2]" 1
2042 1 108 ILE HA 1 108 ILE MD . . 3.800 2.682 2.577 2.870 . 0 0 "[ . 1 . 2]" 1
2043 1 108 ILE HA 1 108 ILE MG . . 3.610 2.533 2.479 2.560 . 0 0 "[ . 1 . 2]" 1
2044 1 108 ILE HA 1 109 GLN H . . 3.210 2.186 2.146 2.199 . 0 0 "[ . 1 . 2]" 1
2045 1 108 ILE HB 1 108 ILE MD . . 3.420 2.305 2.251 2.337 . 0 0 "[ . 1 . 2]" 1
2046 1 108 ILE HB 1 109 GLN H . . 4.810 4.218 4.178 4.327 . 0 0 "[ . 1 . 2]" 1
2047 1 108 ILE MD 1 108 ILE MG . . 3.260 3.242 3.224 3.250 . 0 0 "[ . 1 . 2]" 1
2048 1 108 ILE MD 1 109 GLN H . . 4.750 4.517 4.427 4.682 . 0 0 "[ . 1 . 2]" 1
2049 1 108 ILE HG13 1 108 ILE MG . . 3.310 2.514 2.479 2.563 . 0 0 "[ . 1 . 2]" 1
2050 1 108 ILE MG 1 109 GLN H . . 3.170 2.255 2.192 2.489 . 0 0 "[ . 1 . 2]" 1
2051 1 108 ILE MG 1 109 GLN HA . . 4.220 3.348 3.274 3.535 . 0 0 "[ . 1 . 2]" 1
2052 1 108 ILE MG 1 110 LEU HA . . 4.720 4.047 3.897 4.117 . 0 0 "[ . 1 . 2]" 1
2053 1 109 GLN H 1 109 GLN HB3 . . 3.810 2.602 2.518 2.654 . 0 0 "[ . 1 . 2]" 1
2054 1 109 GLN H 1 109 GLN HE21 . . 5.500 5.494 5.208 5.552 0.052 8 0 "[ . 1 . 2]" 1
2055 1 109 GLN H 1 109 GLN HG3 . . 4.480 4.316 4.285 4.358 . 0 0 "[ . 1 . 2]" 1
2056 1 109 GLN HA 1 109 GLN HE21 . . 4.380 3.320 3.119 3.381 . 0 0 "[ . 1 . 2]" 1
2057 1 109 GLN HA 1 109 GLN HE22 . . 4.020 3.696 3.580 3.742 . 0 0 "[ . 1 . 2]" 1
2058 1 109 GLN HA 1 109 GLN HG3 . . 3.690 3.188 3.165 3.247 . 0 0 "[ . 1 . 2]" 1
2059 1 109 GLN HA 1 110 LEU H . . 2.900 2.187 2.139 2.202 . 0 0 "[ . 1 . 2]" 1
2060 1 109 GLN HB2 1 109 GLN HE22 . . 4.590 4.520 4.472 4.539 . 0 0 "[ . 1 . 2]" 1
2061 1 109 GLN HB2 1 110 LEU H . . 4.580 4.059 4.005 4.243 . 0 0 "[ . 1 . 2]" 1
2062 1 109 GLN HE21 1 110 LEU QB . . 4.530 2.746 2.655 2.989 . 0 0 "[ . 1 . 2]" 1
2063 1 109 GLN HE21 1 111 VAL QG . . 4.170 3.833 3.534 4.076 . 0 0 "[ . 1 . 2]" 1
2064 1 109 GLN HE22 1 109 GLN HG3 . . 3.540 3.443 3.440 3.456 . 0 0 "[ . 1 . 2]" 1
2065 1 109 GLN HE22 1 110 LEU H . . 4.710 2.791 2.730 3.091 . 0 0 "[ . 1 . 2]" 1
2066 1 109 GLN HE22 1 110 LEU QB . . 4.870 3.424 3.295 3.482 . 0 0 "[ . 1 . 2]" 1
2067 1 109 GLN HG3 1 110 LEU H . . 3.520 2.919 2.798 3.484 . 0 0 "[ . 1 . 2]" 1
2068 1 109 GLN HG3 1 111 VAL H . . 4.850 4.675 4.527 4.873 0.023 16 0 "[ . 1 . 2]" 1
2069 1 109 GLN HG3 1 111 VAL HA . . 4.590 4.334 4.313 4.369 . 0 0 "[ . 1 . 2]" 1
2070 1 109 GLN HG3 1 111 VAL QG . . 3.690 2.716 2.503 2.944 . 0 0 "[ . 1 . 2]" 1
2071 1 110 LEU H 1 110 LEU HB2 . . 3.160 2.457 2.310 2.824 . 0 0 "[ . 1 . 2]" 1
2072 1 110 LEU H 1 110 LEU HB3 . . 3.160 2.637 2.234 2.800 . 0 0 "[ . 1 . 2]" 1
2073 1 110 LEU H 1 111 VAL HA . . 5.500 5.367 5.304 5.476 . 0 0 "[ . 1 . 2]" 1
2074 1 110 LEU HA 1 110 LEU QD . . 3.760 2.327 2.049 3.135 . 0 0 "[ . 1 . 2]" 1
2075 1 110 LEU HA 1 110 LEU HG . . 3.400 2.859 2.380 3.382 . 0 0 "[ . 1 . 2]" 1
2076 1 110 LEU HA 1 111 VAL H . . 3.210 2.158 2.147 2.184 . 0 0 "[ . 1 . 2]" 1
2077 1 110 LEU HA 1 111 VAL HA . . 4.570 4.403 4.400 4.408 . 0 0 "[ . 1 . 2]" 1
2078 1 110 LEU HA 1 111 VAL HB . . 5.230 4.531 4.430 4.638 . 0 0 "[ . 1 . 2]" 1
2079 1 110 LEU HA 1 111 VAL QG . . 4.100 3.634 3.467 3.753 . 0 0 "[ . 1 . 2]" 1
2080 1 110 LEU QB 1 110 LEU QD . . 2.640 1.865 1.771 1.911 . 0 0 "[ . 1 . 2]" 1
2081 1 110 LEU QB 1 110 LEU HG . . 2.560 2.397 2.339 2.528 . 0 0 "[ . 1 . 2]" 1
2082 1 110 LEU QB 1 111 VAL H . . 4.270 3.690 3.624 3.748 . 0 0 "[ . 1 . 2]" 1
2083 1 110 LEU QD 1 111 VAL H . . 3.270 2.841 2.048 3.310 0.040 16 0 "[ . 1 . 2]" 1
2084 1 110 LEU HG 1 111 VAL H . . 3.280 2.971 2.420 3.390 0.110 13 0 "[ . 1 . 2]" 1
2085 1 111 VAL H 1 111 VAL HB . . 3.310 2.664 2.607 2.741 . 0 0 "[ . 1 . 2]" 1
2086 1 111 VAL H 1 111 VAL QG . . 3.070 2.821 2.688 2.910 . 0 0 "[ . 1 . 2]" 1
2087 1 111 VAL H 1 112 ALA HA . . 5.130 4.915 4.866 4.996 . 0 0 "[ . 1 . 2]" 1
2088 1 111 VAL HA 1 111 VAL MG1 . . 3.530 2.396 2.255 2.474 . 0 0 "[ . 1 . 2]" 1
2089 1 111 VAL HA 1 111 VAL QG . . 2.980 2.108 2.063 2.147 . 0 0 "[ . 1 . 2]" 1
2090 1 111 VAL HA 1 111 VAL MG2 . . 3.530 2.343 2.270 2.432 . 0 0 "[ . 1 . 2]" 1
2091 1 111 VAL HA 1 112 ALA H . . 2.770 2.179 2.166 2.187 . 0 0 "[ . 1 . 2]" 1
2092 1 111 VAL HA 1 112 ALA HA . . 4.600 4.345 4.336 4.351 . 0 0 "[ . 1 . 2]" 1
2093 1 111 VAL HA 1 112 ALA MB . . 4.040 3.957 3.907 4.008 . 0 0 "[ . 1 . 2]" 1
2094 1 111 VAL HB 1 112 ALA H . . 4.340 4.112 4.024 4.218 . 0 0 "[ . 1 . 2]" 1
2095 1 111 VAL QG 1 112 ALA H . . 2.940 2.376 2.153 2.462 . 0 0 "[ . 1 . 2]" 1
2096 1 111 VAL QG 1 112 ALA HA . . 4.060 3.910 3.821 4.051 . 0 0 "[ . 1 . 2]" 1
2097 1 111 VAL QG 1 113 SER H . . 4.850 4.277 3.931 4.625 . 0 0 "[ . 1 . 2]" 1
2098 1 111 VAL QG 1 113 SER HA . . 4.120 3.719 3.401 3.983 . 0 0 "[ . 1 . 2]" 1
2099 1 111 VAL QG 1 113 SER QB . . 4.720 4.652 4.428 4.788 0.068 4 0 "[ . 1 . 2]" 1
2100 1 112 ALA H 1 112 ALA MB . . 2.830 2.117 2.036 2.236 . 0 0 "[ . 1 . 2]" 1
2101 1 112 ALA HA 1 113 SER H . . 3.000 2.158 2.143 2.207 . 0 0 "[ . 1 . 2]" 1
2102 1 112 ALA HA 1 113 SER QB . . 4.650 4.333 3.968 4.736 0.086 9 0 "[ . 1 . 2]" 1
2103 1 112 ALA MB 1 113 SER H . . 4.100 3.255 2.959 3.441 . 0 0 "[ . 1 . 2]" 1
2104 1 112 ALA MB 1 116 ASP QB . . 4.150 2.379 1.850 4.050 . 0 0 "[ . 1 . 2]" 1
2105 1 113 SER H 1 113 SER HB2 . . 3.990 2.799 2.093 3.555 . 0 0 "[ . 1 . 2]" 1
2106 1 113 SER H 1 113 SER QB . . 3.490 2.498 2.074 2.889 . 0 0 "[ . 1 . 2]" 1
2107 1 113 SER H 1 113 SER HB3 . . 3.990 3.036 2.444 3.623 . 0 0 "[ . 1 . 2]" 1
2108 1 113 SER H 1 115 ILE MD . . 5.500 3.520 3.053 4.091 . 0 0 "[ . 1 . 2]" 1
2109 1 113 SER HA 1 114 GLN H . . 3.260 2.734 2.590 3.548 0.288 19 0 "[ . 1 . 2]" 1
2110 1 113 SER HA 1 114 GLN HB3 . . 4.830 4.722 4.633 4.857 0.027 19 0 "[ . 1 . 2]" 1
2111 1 113 SER HA 1 114 GLN HG2 . . 5.500 4.900 4.256 5.192 . 0 0 "[ . 1 . 2]" 1
2112 1 113 SER HA 1 114 GLN HG3 . . 5.500 5.422 4.989 5.889 0.389 6 0 "[ . 1 . 2]" 1
2113 1 113 SER HA 1 115 ILE MD . . 5.500 4.538 4.192 5.511 0.011 17 0 "[ . 1 . 2]" 1
2114 1 113 SER QB 1 114 GLN H . . 3.750 2.241 1.904 2.731 . 0 0 "[ . 1 . 2]" 1
2115 1 113 SER QB 1 114 GLN QG . . 4.020 3.392 2.975 3.706 . 0 0 "[ . 1 . 2]" 1
2116 1 113 SER QB 1 115 ILE H . . 3.810 2.274 2.080 3.081 . 0 0 "[ . 1 . 2]" 1
2117 1 113 SER QB 1 115 ILE MD . . 4.420 2.249 1.889 3.791 . 0 0 "[ . 1 . 2]" 1
2118 1 113 SER QB 1 115 ILE MG . . 5.340 4.326 3.594 5.348 0.008 19 0 "[ . 1 . 2]" 1
2119 1 113 SER QB 1 116 ASP H . . 4.180 3.772 3.225 4.219 0.039 19 0 "[ . 1 . 2]" 1
2120 1 114 GLN H 1 114 GLN HB2 . . 3.660 3.620 3.586 3.853 0.193 19 0 "[ . 1 . 2]" 1
2121 1 114 GLN H 1 114 GLN HB3 . . 3.730 2.708 2.565 3.648 . 0 0 "[ . 1 . 2]" 1
2122 1 114 GLN H 1 114 GLN QG . . 4.230 2.257 2.156 2.418 . 0 0 "[ . 1 . 2]" 1
2123 1 114 GLN H 1 115 ILE H . . 4.190 2.477 1.827 2.613 . 0 0 "[ . 1 . 2]" 1
2124 1 114 GLN H 1 115 ILE HG12 . . 5.500 5.053 4.681 5.235 . 0 0 "[ . 1 . 2]" 1
2125 1 114 GLN H 1 115 ILE MG . . 5.500 4.412 4.028 4.622 . 0 0 "[ . 1 . 2]" 1
2126 1 114 GLN H 1 116 ASP H . . 4.340 4.227 2.958 4.422 0.082 2 0 "[ . 1 . 2]" 1
2127 1 114 GLN HA 1 115 ILE HG13 . . 5.390 4.976 4.914 5.221 . 0 0 "[ . 1 . 2]" 1
2128 1 114 GLN HB2 1 115 ILE H . . 4.330 4.181 3.497 4.336 0.006 2 0 "[ . 1 . 2]" 1
2129 1 114 GLN HB3 1 115 ILE H . . 4.290 4.285 4.106 4.406 0.116 6 0 "[ . 1 . 2]" 1
2130 1 114 GLN QE 1 115 ILE HB . . 5.340 5.012 4.427 5.404 0.064 6 0 "[ . 1 . 2]" 1
2131 1 114 GLN QE 1 115 ILE MD . . 5.260 4.771 3.308 5.264 0.004 17 0 "[ . 1 . 2]" 1
2132 1 114 GLN QE 1 115 ILE HG12 . . 4.470 4.209 3.661 4.473 0.003 3 0 "[ . 1 . 2]" 1
2133 1 114 GLN QE 1 115 ILE MG . . 4.790 2.350 1.842 3.867 . 0 0 "[ . 1 . 2]" 1
2134 1 114 GLN QG 1 115 ILE H . . 3.720 2.681 1.989 2.868 . 0 0 "[ . 1 . 2]" 1
2135 1 114 GLN QG 1 115 ILE HB . . 4.750 4.680 4.536 4.952 0.202 18 0 "[ . 1 . 2]" 1
2136 1 114 GLN QG 1 116 ASP H . . 4.960 4.664 4.372 4.879 . 0 0 "[ . 1 . 2]" 1
2137 1 115 ILE H 1 115 ILE HB . . 3.660 3.650 3.591 3.723 0.063 11 0 "[ . 1 . 2]" 1
2138 1 115 ILE H 1 115 ILE MD . . 3.290 2.218 1.905 3.411 0.121 3 0 "[ . 1 . 2]" 1
2139 1 115 ILE H 1 115 ILE HG12 . . 3.880 3.508 3.258 3.586 . 0 0 "[ . 1 . 2]" 1
2140 1 115 ILE H 1 115 ILE HG13 . . 3.330 1.976 1.868 2.045 . 0 0 "[ . 1 . 2]" 1
2141 1 115 ILE H 1 115 ILE MG . . 3.840 3.138 2.468 3.262 . 0 0 "[ . 1 . 2]" 1
2142 1 115 ILE H 1 116 ASP H . . 3.290 2.428 2.215 2.727 . 0 0 "[ . 1 . 2]" 1
2143 1 115 ILE HA 1 115 ILE MD . . 3.920 3.528 3.455 3.650 . 0 0 "[ . 1 . 2]" 1
2144 1 115 ILE HA 1 115 ILE HG13 . . 4.110 3.565 3.547 3.580 . 0 0 "[ . 1 . 2]" 1
2145 1 115 ILE HA 1 115 ILE MG . . 3.210 2.159 2.074 2.311 . 0 0 "[ . 1 . 2]" 1
2146 1 115 ILE HA 1 116 ASP H . . 3.430 3.047 2.951 3.355 . 0 0 "[ . 1 . 2]" 1
2147 1 115 ILE HB 1 115 ILE MD . . 3.450 2.345 2.091 2.444 . 0 0 "[ . 1 . 2]" 1
2148 1 115 ILE HB 1 116 ASP H . . 4.420 4.290 4.180 4.354 . 0 0 "[ . 1 . 2]" 1
2149 1 115 ILE MD 1 116 ASP H . . 3.190 2.915 2.607 3.194 0.004 11 0 "[ . 1 . 2]" 1
2150 1 115 ILE MD 1 116 ASP HA . . 3.710 3.194 2.834 3.363 . 0 0 "[ . 1 . 2]" 1
2151 1 115 ILE HG12 1 115 ILE MG . . 3.330 2.344 2.046 2.407 . 0 0 "[ . 1 . 2]" 1
2152 1 115 ILE HG13 1 115 ILE MG . . 3.200 2.411 2.330 2.653 . 0 0 "[ . 1 . 2]" 1
2153 1 115 ILE HG13 1 116 ASP H . . 4.760 4.044 2.721 4.383 . 0 0 "[ . 1 . 2]" 1
2154 1 115 ILE MG 1 116 ASP H . . 4.590 4.387 4.119 4.426 . 0 0 "[ . 1 . 2]" 1
2155 1 116 ASP H 1 116 ASP HB2 . . 3.560 2.610 2.296 3.663 0.103 10 0 "[ . 1 . 2]" 1
2156 1 116 ASP H 1 116 ASP QB . . 2.920 2.389 2.247 2.931 0.011 18 0 "[ . 1 . 2]" 1
2157 1 116 ASP H 1 116 ASP HB3 . . 3.560 3.226 2.535 3.603 0.043 14 0 "[ . 1 . 2]" 1
2158 1 116 ASP H 1 117 LEU H . . 3.290 2.983 2.728 3.377 0.087 18 0 "[ . 1 . 2]" 1
2159 1 116 ASP HA 1 117 LEU H . . 2.740 2.817 2.582 3.005 0.265 9 0 "[ . 1 . 2]" 1
2160 1 116 ASP QB 1 117 LEU H . . 3.750 3.869 3.717 4.030 0.280 2 0 "[ . 1 . 2]" 1
2161 1 116 ASP QB 1 117 LEU QD . . 4.440 3.991 3.269 4.595 0.155 9 0 "[ . 1 . 2]" 1
2162 1 116 ASP HB2 1 117 LEU H . . 4.370 4.368 4.187 4.568 0.198 10 0 "[ . 1 . 2]" 1
2163 1 116 ASP HB3 1 117 LEU H . . 4.370 4.334 4.019 4.659 0.289 19 0 "[ . 1 . 2]" 1
2164 1 117 LEU H 1 117 LEU QB . . 2.520 2.246 2.098 2.791 0.271 9 0 "[ . 1 . 2]" 1
2165 1 117 LEU H 1 117 LEU MD1 . . 4.080 3.824 1.871 4.199 0.119 17 0 "[ . 1 . 2]" 1
2166 1 117 LEU H 1 117 LEU QD . . 3.160 2.467 1.836 3.223 0.063 9 0 "[ . 1 . 2]" 1
2167 1 117 LEU H 1 117 LEU MD2 . . 4.080 2.698 1.839 3.861 . 0 0 "[ . 1 . 2]" 1
2168 1 117 LEU H 1 117 LEU HG . . 4.570 4.079 2.763 4.560 . 0 0 "[ . 1 . 2]" 1
2169 1 117 LEU HA 1 117 LEU MD1 . . 4.410 2.577 1.956 4.101 . 0 0 "[ . 1 . 2]" 1
2170 1 117 LEU HA 1 117 LEU QD . . 2.950 2.324 1.884 3.264 0.314 7 0 "[ . 1 . 2]" 1
2171 1 117 LEU HA 1 117 LEU MD2 . . 4.410 2.776 2.231 4.085 . 0 0 "[ . 1 . 2]" 1
2172 1 117 LEU HA 1 118 GLU H . . 2.910 2.629 2.404 3.549 0.639 13 2 "[ . 1 + . - 2]" 1
2173 1 117 LEU QB 1 117 LEU QD . . 2.780 1.988 1.787 2.059 . 0 0 "[ . 1 . 2]" 1
2174 1 117 LEU QB 1 118 GLU H . . 3.160 2.271 2.054 2.815 . 0 0 "[ . 1 . 2]" 1
2175 1 117 LEU HB2 1 118 GLU H . . 4.010 3.222 2.212 3.897 . 0 0 "[ . 1 . 2]" 1
2176 1 117 LEU HB3 1 118 GLU H . . 4.010 2.731 2.117 3.948 . 0 0 "[ . 1 . 2]" 1
2177 1 117 LEU QD 1 118 GLU H . . 3.750 2.549 2.052 3.887 0.137 17 0 "[ . 1 . 2]" 1
2178 1 117 LEU QD 1 118 GLU HA . . 4.620 4.250 2.764 4.638 0.018 18 0 "[ . 1 . 2]" 1
2179 1 117 LEU MD1 1 118 GLU H . . 4.770 2.813 2.058 4.133 . 0 0 "[ . 1 . 2]" 1
2180 1 117 LEU MD2 1 118 GLU H . . 4.770 3.977 2.344 4.730 . 0 0 "[ . 1 . 2]" 1
2181 1 117 LEU HG 1 118 GLU H . . 5.160 4.014 2.423 5.237 0.077 17 0 "[ . 1 . 2]" 1
2182 1 118 GLU H 1 118 GLU QB . . 3.370 2.716 2.258 3.143 . 0 0 "[ . 1 . 2]" 1
2183 1 118 GLU H 1 118 GLU QG . . 3.730 2.595 1.918 3.771 0.041 7 0 "[ . 1 . 2]" 1
2184 1 118 GLU H 1 119 HIS HA . . 5.060 4.947 4.484 5.091 0.031 7 0 "[ . 1 . 2]" 1
2185 1 118 GLU HA 1 118 GLU HG2 . . 4.000 3.243 2.317 3.877 . 0 0 "[ . 1 . 2]" 1
2186 1 118 GLU HA 1 118 GLU QG . . 3.420 2.849 2.228 3.338 . 0 0 "[ . 1 . 2]" 1
2187 1 118 GLU HA 1 118 GLU HG3 . . 4.000 3.314 2.365 3.919 . 0 0 "[ . 1 . 2]" 1
2188 1 118 GLU QB 1 119 HIS H . . 4.300 3.635 1.955 4.038 . 0 0 "[ . 1 . 2]" 1
2189 1 118 GLU QB 1 119 HIS HA . . 4.700 4.421 4.106 4.698 . 0 0 "[ . 1 . 2]" 1
2190 1 119 HIS H 1 119 HIS HB2 . . 4.180 2.943 2.279 3.864 . 0 0 "[ . 1 . 2]" 1
2191 1 119 HIS H 1 119 HIS QB . . 3.670 2.601 2.253 3.068 . 0 0 "[ . 1 . 2]" 1
2192 1 119 HIS H 1 119 HIS HB3 . . 4.180 3.173 2.553 3.822 . 0 0 "[ . 1 . 2]" 1
2193 2 2 PRO QB 2 3 LEU H . . 3.920 3.189 2.560 3.746 . 0 0 "[ . 1 . 2]" 1
2194 2 2 PRO HG2 2 3 LEU HA . . 5.070 4.714 4.305 5.078 0.008 20 0 "[ . 1 . 2]" 1
2195 2 3 LEU H 2 3 LEU HB2 . . 3.750 2.638 2.186 3.698 . 0 0 "[ . 1 . 2]" 1
2196 2 3 LEU H 2 3 LEU QB . . 2.890 2.431 2.164 2.876 . 0 0 "[ . 1 . 2]" 1
2197 2 3 LEU H 2 3 LEU HB3 . . 3.750 3.319 2.607 3.754 0.004 18 0 "[ . 1 . 2]" 1
2198 2 3 LEU H 2 3 LEU MD1 . . 4.940 3.543 1.926 4.528 . 0 0 "[ . 1 . 2]" 1
2199 2 3 LEU H 2 3 LEU QD . . 4.260 3.066 1.923 3.859 . 0 0 "[ . 1 . 2]" 1
2200 2 3 LEU H 2 3 LEU MD2 . . 4.940 3.806 2.049 4.409 . 0 0 "[ . 1 . 2]" 1
2201 2 3 LEU H 2 4 GLY H . . 4.950 4.473 4.051 4.622 . 0 0 "[ . 1 . 2]" 1
2202 2 3 LEU H 2 4 GLY QA . . 5.260 4.825 4.425 5.075 . 0 0 "[ . 1 . 2]" 1
2203 2 3 LEU HA 2 3 LEU MD1 . . 4.500 3.347 2.050 4.056 . 0 0 "[ . 1 . 2]" 1
2204 2 3 LEU HA 2 3 LEU QD . . 3.550 2.595 1.945 3.398 . 0 0 "[ . 1 . 2]" 1
2205 2 3 LEU HA 2 3 LEU MD2 . . 4.500 3.092 2.091 4.046 . 0 0 "[ . 1 . 2]" 1
2206 2 3 LEU HA 2 4 GLY H . . 3.210 2.239 2.144 2.312 . 0 0 "[ . 1 . 2]" 1
2207 2 3 LEU QB 2 4 GLY H . . 4.070 3.063 2.608 3.918 . 0 0 "[ . 1 . 2]" 1
2208 2 3 LEU QD 2 4 GLY H . . 4.660 3.352 2.186 4.474 . 0 0 "[ . 1 . 2]" 1
2209 2 3 LEU MD1 2 4 GLY H . . 5.320 4.274 2.649 5.088 . 0 0 "[ . 1 . 2]" 1
2210 2 3 LEU MD2 2 4 GLY H . . 5.320 3.919 2.194 5.024 . 0 0 "[ . 1 . 2]" 1
2211 2 4 GLY H 2 5 SER H . . 5.210 4.138 3.793 4.383 . 0 0 "[ . 1 . 2]" 1
2212 2 5 SER H 2 5 SER QB . . 3.700 2.905 2.386 3.226 . 0 0 "[ . 1 . 2]" 1
2213 2 5 SER H 2 6 VAL H . . 4.550 4.319 3.935 4.570 0.020 1 0 "[ . 1 . 2]" 1
2214 2 5 SER HB2 2 6 VAL H . . 4.380 3.533 2.675 4.379 . 0 0 "[ . 1 . 2]" 1
2215 2 5 SER HB3 2 6 VAL H . . 4.380 3.583 2.578 4.366 . 0 0 "[ . 1 . 2]" 1
2216 2 6 VAL H 2 6 VAL HB . . 3.910 3.609 3.587 3.684 . 0 0 "[ . 1 . 2]" 1
2217 2 6 VAL H 2 6 VAL MG1 . . 4.250 2.529 2.333 3.021 . 0 0 "[ . 1 . 2]" 1
2218 2 6 VAL H 2 6 VAL QG . . 3.650 1.963 1.826 2.050 . 0 0 "[ . 1 . 2]" 1
2219 2 6 VAL H 2 6 VAL MG2 . . 4.250 2.053 1.891 2.188 . 0 0 "[ . 1 . 2]" 1
2220 2 6 VAL H 2 7 TRP H . . 4.700 4.389 2.639 4.634 . 0 0 "[ . 1 . 2]" 1
2221 2 6 VAL HA 2 8 SER H . . 4.350 4.098 3.766 4.334 . 0 0 "[ . 1 . 2]" 1
2222 2 6 VAL QG 2 7 TRP H . . 3.570 3.027 2.253 3.429 . 0 0 "[ . 1 . 2]" 1
2223 2 6 VAL QG 2 7 TRP HA . . 4.720 4.209 3.751 4.473 . 0 0 "[ . 1 . 2]" 1
2224 2 6 VAL QG 2 7 TRP QB . . 5.170 4.252 4.030 4.479 . 0 0 "[ . 1 . 2]" 1
2225 2 6 VAL QG 2 8 SER H . . 5.000 2.579 2.217 2.833 . 0 0 "[ . 1 . 2]" 1
2226 2 6 VAL QG 2 8 SER QB . . 4.160 2.168 1.858 2.716 . 0 0 "[ . 1 . 2]" 1
2227 2 6 VAL QG 2 9 ARG H . . 5.440 5.486 5.441 5.579 0.139 16 0 "[ . 1 . 2]" 1
2228 2 6 VAL MG1 2 7 TRP H . . 4.510 3.562 3.301 4.219 . 0 0 "[ . 1 . 2]" 1
2229 2 6 VAL MG2 2 7 TRP H . . 4.510 3.365 2.263 3.911 . 0 0 "[ . 1 . 2]" 1
2230 2 7 TRP H 2 7 TRP QB . . 3.670 2.256 2.128 3.050 . 0 0 "[ . 1 . 2]" 1
2231 2 7 TRP H 2 8 SER H . . 3.870 2.403 2.133 2.880 . 0 0 "[ . 1 . 2]" 1
2232 2 8 SER H 2 8 SER HB2 . . 3.990 3.053 2.186 3.643 . 0 0 "[ . 1 . 2]" 1
2233 2 8 SER H 2 8 SER QB . . 3.400 2.396 2.149 2.835 . 0 0 "[ . 1 . 2]" 1
2234 2 8 SER H 2 8 SER HB3 . . 3.990 2.854 2.314 3.685 . 0 0 "[ . 1 . 2]" 1
2235 2 8 SER H 2 9 ARG H . . 4.330 4.335 4.252 4.372 0.042 14 0 "[ . 1 . 2]" 1
2236 2 8 SER HA 2 10 LEU H . . 5.030 4.378 3.381 4.818 . 0 0 "[ . 1 . 2]" 1
2237 2 9 ARG H 2 9 ARG QG . . 4.270 3.385 1.925 4.189 . 0 0 "[ . 1 . 2]" 1
2238 2 9 ARG H 2 10 LEU H . . 3.840 3.128 2.331 3.486 . 0 0 "[ . 1 . 2]" 1
2239 2 9 ARG H 2 10 LEU QD . . 5.320 4.460 4.309 4.697 . 0 0 "[ . 1 . 2]" 1
2240 2 10 LEU H 2 10 LEU HB2 . . 3.930 3.776 3.476 3.862 . 0 0 "[ . 1 . 2]" 1
2241 2 10 LEU H 2 10 LEU HB3 . . 3.930 2.665 2.187 2.839 . 0 0 "[ . 1 . 2]" 1
2242 2 10 LEU H 2 10 LEU MD1 . . 4.770 4.208 4.096 4.310 . 0 0 "[ . 1 . 2]" 1
2243 2 10 LEU H 2 10 LEU QD . . 4.040 3.379 3.228 3.494 . 0 0 "[ . 1 . 2]" 1
2244 2 10 LEU H 2 10 LEU MD2 . . 4.770 3.563 3.350 3.701 . 0 0 "[ . 1 . 2]" 1
2245 2 10 LEU H 2 10 LEU HG . . 3.960 3.010 2.862 3.324 . 0 0 "[ . 1 . 2]" 1
2246 2 10 LEU QB 2 11 GLY H . . 4.330 2.958 2.870 3.154 . 0 0 "[ . 1 . 2]" 1
2247 2 10 LEU QD 2 11 GLY H . . 4.800 2.533 2.430 2.624 . 0 0 "[ . 1 . 2]" 1
2248 2 10 LEU QD 2 12 ALA H . . 4.450 1.962 1.875 2.185 . 0 0 "[ . 1 . 2]" 1
2249 2 10 LEU MD1 2 12 ALA H . . 5.430 1.965 1.877 2.189 . 0 0 "[ . 1 . 2]" 1
2250 2 10 LEU MD2 2 12 ALA H . . 5.430 4.456 4.294 4.710 . 0 0 "[ . 1 . 2]" 1
2251 2 10 LEU HG 2 12 ALA H . . 4.190 3.763 3.554 4.108 . 0 0 "[ . 1 . 2]" 1
2252 2 10 LEU HG 2 12 ALA MB . . 5.090 4.481 4.253 4.700 . 0 0 "[ . 1 . 2]" 1
2253 2 11 GLY H 2 12 ALA H . . 4.340 3.589 3.458 3.690 . 0 0 "[ . 1 . 2]" 1
2254 2 11 GLY QA 2 12 ALA MB . . 4.820 3.795 3.736 3.842 . 0 0 "[ . 1 . 2]" 1
2255 2 12 ALA H 2 12 ALA MB . . 3.280 2.242 2.062 2.312 . 0 0 "[ . 1 . 2]" 1
2256 2 12 ALA HA 2 13 ARG H . . 3.140 2.146 2.142 2.178 . 0 0 "[ . 1 . 2]" 1
2257 2 12 ALA MB 2 13 ARG H . . 3.430 3.222 2.991 3.308 . 0 0 "[ . 1 . 2]" 1
2258 2 12 ALA MB 2 13 ARG HA . . 4.660 3.991 3.847 4.055 . 0 0 "[ . 1 . 2]" 1
2259 2 12 ALA MB 2 13 ARG QB . . 5.340 4.313 4.173 4.654 . 0 0 "[ . 1 . 2]" 1
2260 2 13 ARG H 2 13 ARG QB . . 3.680 2.960 2.712 3.221 . 0 0 "[ . 1 . 2]" 1
2261 2 13 ARG QB 2 14 ARG H . . 3.750 3.346 2.324 3.966 0.216 4 0 "[ . 1 . 2]" 1
2262 2 13 ARG HB2 2 14 ARG H . . 4.480 3.611 2.347 4.448 . 0 0 "[ . 1 . 2]" 1
2263 2 13 ARG HB3 2 14 ARG H . . 4.480 4.168 3.755 4.532 0.052 14 0 "[ . 1 . 2]" 1
2264 2 13 ARG QG 2 14 ARG H . . 4.210 2.793 2.146 4.165 . 0 0 "[ . 1 . 2]" 1
2265 2 14 ARG H 2 15 PRO QD . . 4.990 3.628 1.894 4.334 . 0 0 "[ . 1 . 2]" 1
2266 2 19 PRO HA 2 20 GLU H . . 3.330 2.602 2.152 3.389 0.059 3 0 "[ . 1 . 2]" 1
2267 2 19 PRO QB 2 20 GLU H . . 4.040 2.448 2.054 3.589 . 0 0 "[ . 1 . 2]" 1
2268 2 20 GLU QG 2 21 ARG H . . 5.130 3.390 1.967 4.735 . 0 0 "[ . 1 . 2]" 1
2269 2 21 ARG QB 2 22 HIS H . . 4.050 3.074 1.925 3.919 . 0 0 "[ . 1 . 2]" 1
2270 2 21 ARG HB2 2 22 HIS H . . 4.840 3.686 2.121 4.568 . 0 0 "[ . 1 . 2]" 1
2271 2 21 ARG HB3 2 22 HIS H . . 4.840 3.599 1.948 4.602 . 0 0 "[ . 1 . 2]" 1
2272 2 23 GLY QA 2 24 GLY H . . 2.700 2.198 2.118 2.231 . 0 0 "[ . 1 . 2]" 1
2273 2 25 LYS HA 2 25 LYS QD . . 3.560 2.923 2.075 3.679 0.119 1 0 "[ . 1 . 2]" 1
2274 2 25 LYS HA 2 25 LYS QG . . 3.670 2.837 2.171 3.441 . 0 0 "[ . 1 . 2]" 1
2275 2 26 VAL HA 2 27 ALA H . . 3.160 2.350 2.150 3.556 0.396 15 0 "[ . 1 . 2]" 1
2276 2 26 VAL HA 2 27 ALA MB . . 4.750 3.987 3.780 4.413 . 0 0 "[ . 1 . 2]" 1
2277 2 26 VAL QG 2 27 ALA H . . 4.370 2.496 1.920 3.571 . 0 0 "[ . 1 . 2]" 1
2278 2 26 VAL MG1 2 27 ALA H . . 5.060 3.063 1.925 4.328 . 0 0 "[ . 1 . 2]" 1
2279 2 26 VAL MG2 2 27 ALA H . . 5.060 3.361 1.979 4.318 . 0 0 "[ . 1 . 2]" 1
2280 2 27 ALA H 2 27 ALA MB . . 3.540 2.592 2.197 2.901 . 0 0 "[ . 1 . 2]" 1
2281 2 27 ALA HA 2 28 ARG H . . 3.220 2.420 2.143 2.864 . 0 0 "[ . 1 . 2]" 1
2282 2 27 ALA MB 2 28 ARG H . . 4.430 2.801 1.924 3.719 . 0 0 "[ . 1 . 2]" 1
2283 2 28 ARG H 2 28 ARG HB2 . . 3.980 2.917 2.193 3.972 . 0 0 "[ . 1 . 2]" 1
2284 2 28 ARG H 2 28 ARG QB . . 3.480 2.623 2.172 3.275 . 0 0 "[ . 1 . 2]" 1
2285 2 28 ARG H 2 28 ARG HB3 . . 3.980 3.264 2.479 3.849 . 0 0 "[ . 1 . 2]" 1
2286 2 28 ARG H 2 28 ARG HG2 . . 5.500 4.117 2.368 5.072 . 0 0 "[ . 1 . 2]" 1
2287 2 28 ARG H 2 28 ARG QG . . 4.830 3.570 2.348 4.341 . 0 0 "[ . 1 . 2]" 1
2288 2 28 ARG H 2 28 ARG HG3 . . 5.500 4.121 2.414 5.169 . 0 0 "[ . 1 . 2]" 1
2289 2 28 ARG HA 2 29 LEU H . . 3.400 2.318 2.140 2.656 . 0 0 "[ . 1 . 2]" 1
2290 2 28 ARG QB 2 29 LEU H . . 4.110 3.030 1.984 3.935 . 0 0 "[ . 1 . 2]" 1
2291 2 28 ARG HB2 2 29 LEU H . . 4.770 3.822 1.994 4.579 . 0 0 "[ . 1 . 2]" 1
2292 2 28 ARG HB3 2 29 LEU H . . 4.770 3.421 2.053 4.287 . 0 0 "[ . 1 . 2]" 1
2293 2 29 LEU H 2 29 LEU QD . . 4.420 3.188 2.059 4.055 . 0 0 "[ . 1 . 2]" 1
2294 2 29 LEU H 2 29 LEU HG . . 4.360 3.251 2.140 4.405 0.045 2 0 "[ . 1 . 2]" 1
2295 2 29 LEU HA 2 29 LEU MD1 . . 4.370 3.267 2.078 4.105 . 0 0 "[ . 1 . 2]" 1
2296 2 29 LEU HA 2 29 LEU QD . . 3.430 2.908 1.963 3.398 . 0 0 "[ . 1 . 2]" 1
2297 2 29 LEU HA 2 29 LEU MD2 . . 4.370 3.670 2.248 4.086 . 0 0 "[ . 1 . 2]" 1
2298 2 29 LEU HA 2 30 GLN H . . 2.920 2.403 2.139 3.549 0.629 14 1 "[ . 1 +. 2]" 1
2299 2 29 LEU QB 2 30 GLN H . . 4.400 2.768 1.935 3.903 . 0 0 "[ . 1 . 2]" 1
2300 2 29 LEU QD 2 30 GLN H . . 5.440 2.998 2.254 4.325 . 0 0 "[ . 1 . 2]" 1
2301 2 29 LEU HG 2 30 GLN H . . 4.690 4.037 2.635 4.690 0.000 13 0 "[ . 1 . 2]" 1
2302 2 30 GLN H 2 30 GLN HB2 . . 4.040 3.251 2.228 3.987 . 0 0 "[ . 1 . 2]" 1
2303 2 30 GLN H 2 30 GLN QB . . 3.420 2.844 2.204 3.425 0.005 19 0 "[ . 1 . 2]" 1
2304 2 30 GLN H 2 30 GLN HB3 . . 4.040 3.343 2.399 4.070 0.030 14 0 "[ . 1 . 2]" 1
2305 2 30 GLN H 2 30 GLN QG . . 4.560 3.353 2.073 4.329 . 0 0 "[ . 1 . 2]" 1
2306 2 30 GLN HA 2 31 PRO HD2 . . 4.020 2.272 2.052 2.511 . 0 0 "[ . 1 . 2]" 1
2307 2 30 GLN HA 2 31 PRO QD . . 3.340 2.071 1.965 2.156 . 0 0 "[ . 1 . 2]" 1
2308 2 30 GLN HA 2 31 PRO HD3 . . 4.020 2.553 2.252 2.971 . 0 0 "[ . 1 . 2]" 1
2309 2 31 PRO HA 2 32 PRO HD2 . . 3.470 2.473 1.926 2.535 . 0 0 "[ . 1 . 2]" 1
2310 2 31 PRO HA 2 32 PRO HD3 . . 3.470 2.375 2.365 2.449 . 0 0 "[ . 1 . 2]" 1
2311 2 31 PRO QB 2 32 PRO QD . . 3.840 2.126 1.997 3.272 . 0 0 "[ . 1 . 2]" 1
2312 2 32 PRO HA 2 33 PRO HD2 . . 4.000 2.443 1.927 2.536 . 0 0 "[ . 1 . 2]" 1
2313 2 32 PRO HA 2 33 PRO QD . . 3.370 2.127 1.860 2.176 . 0 0 "[ . 1 . 2]" 1
2314 2 32 PRO HA 2 33 PRO HD3 . . 4.000 2.379 2.366 2.450 . 0 0 "[ . 1 . 2]" 1
2315 2 33 PRO HA 2 34 THR H . . 3.070 2.216 2.149 2.299 . 0 0 "[ . 1 . 2]" 1
2316 2 33 PRO QB 2 34 THR H . . 3.990 3.080 2.776 3.506 . 0 0 "[ . 1 . 2]" 1
2317 2 34 THR H 2 34 THR HB . . 4.000 3.182 2.600 3.817 . 0 0 "[ . 1 . 2]" 1
2318 2 34 THR MG 2 35 LYS H . . 4.540 3.346 1.914 4.160 . 0 0 "[ . 1 . 2]" 1
2319 2 35 LYS H 2 35 LYS QB . . 3.270 2.618 2.295 3.151 . 0 0 "[ . 1 . 2]" 1
2320 2 35 LYS H 2 35 LYS HG2 . . 5.360 4.142 2.081 4.988 . 0 0 "[ . 1 . 2]" 1
2321 2 35 LYS H 2 35 LYS QG . . 4.700 3.606 2.058 4.241 . 0 0 "[ . 1 . 2]" 1
2322 2 35 LYS H 2 35 LYS HG3 . . 5.360 4.207 2.806 4.825 . 0 0 "[ . 1 . 2]" 1
2323 2 35 LYS HA 2 36 ALA H . . 3.370 2.255 2.141 2.348 . 0 0 "[ . 1 . 2]" 1
2324 2 36 ALA HA 2 37 GLN H . . 3.150 2.438 2.146 2.996 . 0 0 "[ . 1 . 2]" 1
2325 2 36 ALA MB 2 37 GLN H . . 5.050 2.944 1.989 3.715 . 0 0 "[ . 1 . 2]" 1
2326 2 37 GLN H 2 37 GLN QB . . 3.630 2.653 2.218 3.426 . 0 0 "[ . 1 . 2]" 1
2327 2 37 GLN HA 2 38 PRO HD2 . . 4.080 2.209 2.085 2.505 . 0 0 "[ . 1 . 2]" 1
2328 2 37 GLN HA 2 38 PRO QD . . 3.320 2.039 1.958 2.152 . 0 0 "[ . 1 . 2]" 1
2329 2 37 GLN HA 2 38 PRO HD3 . . 4.080 2.544 2.251 2.968 . 0 0 "[ . 1 . 2]" 1
2330 2 38 PRO HA 2 39 ALA H . . 3.320 2.260 2.155 2.416 . 0 0 "[ . 1 . 2]" 1
2331 2 39 ALA HA 2 40 ARG H . . 3.270 2.210 2.144 2.301 . 0 0 "[ . 1 . 2]" 1
2332 2 39 ALA HA 2 40 ARG QB . . 5.340 4.178 3.885 4.541 . 0 0 "[ . 1 . 2]" 1
2333 2 40 ARG HA 2 40 ARG HG2 . . 4.180 3.255 2.204 4.223 0.043 6 0 "[ . 1 . 2]" 1
2334 2 40 ARG HA 2 40 ARG QG . . 3.670 2.764 2.182 3.407 . 0 0 "[ . 1 . 2]" 1
2335 2 40 ARG HA 2 40 ARG HG3 . . 4.180 3.299 2.394 3.874 . 0 0 "[ . 1 . 2]" 1
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