NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
634453 |
6gt7   |
34287 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6gt7
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 1992
_Distance_constraint_stats_list.Viol_count 4536
_Distance_constraint_stats_list.Viol_total 5183.843
_Distance_constraint_stats_list.Viol_max 0.806
_Distance_constraint_stats_list.Viol_rms 0.0276
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.0571
_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 1 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 3.683 0.155 4 0 "[ . 1 . 2]"
1 3 VAL 4.833 0.155 4 0 "[ . 1 . 2]"
1 4 GLU 2.219 0.179 5 0 "[ . 1 . 2]"
1 5 PHE 1.252 0.179 5 0 "[ . 1 . 2]"
1 6 GLU 1.303 0.176 7 0 "[ . 1 . 2]"
1 7 GLU 2.289 0.176 7 0 "[ . 1 . 2]"
1 8 LEU 2.942 0.121 12 0 "[ . 1 . 2]"
1 9 ARG 2.171 0.121 12 0 "[ . 1 . 2]"
1 10 LYS 0.529 0.125 6 0 "[ . 1 . 2]"
1 11 GLU 2.921 0.210 18 0 "[ . 1 . 2]"
1 12 LEU 8.694 0.165 12 0 "[ . 1 . 2]"
1 13 VAL 4.661 0.244 15 0 "[ . 1 . 2]"
1 14 LYS 3.442 0.244 15 0 "[ . 1 . 2]"
1 15 ARG 3.297 0.108 1 0 "[ . 1 . 2]"
1 16 ASP 2.284 0.135 18 0 "[ . 1 . 2]"
1 17 SER 11.326 0.684 4 9 "[ * +* 1****. *- 2]"
1 18 GLY 0.651 0.094 20 0 "[ . 1 . 2]"
1 19 LYS 2.363 0.208 1 0 "[ . 1 . 2]"
1 20 PRO 1.492 0.102 20 0 "[ . 1 . 2]"
1 21 VAL 3.772 0.119 20 0 "[ . 1 . 2]"
1 22 GLU 1.627 0.089 12 0 "[ . 1 . 2]"
1 23 LYS 3.703 0.208 1 0 "[ . 1 . 2]"
1 24 ILE 3.676 0.113 2 0 "[ . 1 . 2]"
1 25 LYS 4.395 0.127 8 0 "[ . 1 . 2]"
1 26 GLU 5.037 0.141 10 0 "[ . 1 . 2]"
1 27 GLU 4.373 0.179 6 0 "[ . 1 . 2]"
1 28 ILE 5.320 0.211 19 0 "[ . 1 . 2]"
1 29 CYS 6.430 0.278 5 0 "[ . 1 . 2]"
1 30 THR 4.637 0.263 11 0 "[ . 1 . 2]"
1 31 LYS 7.232 0.278 5 0 "[ . 1 . 2]"
1 37 ILE 1.662 0.138 10 0 "[ . 1 . 2]"
1 40 ILE 5.897 0.160 15 0 "[ . 1 . 2]"
1 41 ILE 6.689 0.154 6 0 "[ . 1 . 2]"
1 42 CYS 4.347 0.192 9 0 "[ . 1 . 2]"
1 43 GLU 0.149 0.088 13 0 "[ . 1 . 2]"
1 44 ASN 1.631 0.196 13 0 "[ . 1 . 2]"
1 45 LYS 3.790 0.196 13 0 "[ . 1 . 2]"
1 46 THR 3.545 0.109 10 0 "[ . 1 . 2]"
1 47 TYR 11.667 0.127 4 0 "[ . 1 . 2]"
1 48 ALA 6.409 0.145 14 0 "[ . 1 . 2]"
1 49 ASP 7.772 0.150 8 0 "[ . 1 . 2]"
1 50 VAL 6.940 0.109 10 0 "[ . 1 . 2]"
1 51 ASN 1.273 0.073 7 0 "[ . 1 . 2]"
1 52 ILE 6.154 0.122 16 0 "[ . 1 . 2]"
1 53 ASP 3.909 0.159 14 0 "[ . 1 . 2]"
1 54 ARG 3.563 0.127 4 0 "[ . 1 . 2]"
1 56 ARG 5.309 0.159 14 0 "[ . 1 . 2]"
1 57 GLY 2.221 0.117 10 0 "[ . 1 . 2]"
1 58 ASP 3.227 0.187 10 0 "[ . 1 . 2]"
1 59 TRP 15.038 0.170 8 0 "[ . 1 . 2]"
1 60 HIS 5.145 0.117 10 0 "[ . 1 . 2]"
1 61 VAL 9.237 0.187 10 0 "[ . 1 . 2]"
1 62 ILE 2.190 0.115 15 0 "[ . 1 . 2]"
1 63 LEU 11.334 0.133 17 0 "[ . 1 . 2]"
1 64 TYR 3.234 0.154 6 0 "[ . 1 . 2]"
1 65 LEU 3.732 0.122 13 0 "[ . 1 . 2]"
1 66 MET 9.108 0.191 15 0 "[ . 1 . 2]"
1 67 LYS 1.985 0.124 17 0 "[ . 1 . 2]"
1 68 HIS 2.135 0.234 20 0 "[ . 1 . 2]"
1 69 GLY 1.374 0.118 4 0 "[ . 1 . 2]"
1 70 VAL 13.145 0.684 4 9 "[ * +* 1****. *- 2]"
1 71 THR 1.408 0.085 20 0 "[ . 1 . 2]"
1 72 ASP 1.071 0.093 5 0 "[ . 1 . 2]"
1 73 PRO 1.316 0.335 2 0 "[ . 1 . 2]"
1 74 ASP 8.496 0.335 2 0 "[ . 1 . 2]"
1 75 LYS 5.123 0.165 2 0 "[ . 1 . 2]"
1 76 ILE 0.162 0.030 17 0 "[ . 1 . 2]"
1 77 LEU 11.280 0.331 13 0 "[ . 1 . 2]"
1 78 GLU 4.231 0.156 15 0 "[ . 1 . 2]"
1 79 LEU 12.120 0.331 13 0 "[ . 1 . 2]"
1 80 LEU 2.623 0.130 16 0 "[ . 1 . 2]"
1 81 PRO 0.991 0.100 5 0 "[ . 1 . 2]"
1 82 ARG 1.962 0.095 2 0 "[ . 1 . 2]"
1 83 ASP 1.552 0.145 14 0 "[ . 1 . 2]"
1 84 SER 2.815 0.179 20 0 "[ . 1 . 2]"
1 85 LYS 1.271 0.071 14 0 "[ . 1 . 2]"
1 86 ALA 0.759 0.077 20 0 "[ . 1 . 2]"
1 87 LYS 5.360 0.139 14 0 "[ . 1 . 2]"
1 88 GLU 4.061 0.179 20 0 "[ . 1 . 2]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 THR 0.866 0.157 15 0 "[ . 1 . 2]"
1 95 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LYS 0.701 0.086 8 0 "[ . 1 . 2]"
1 97 TYR 3.192 0.097 1 0 "[ . 1 . 2]"
1 98 PHE 10.917 0.157 15 0 "[ . 1 . 2]"
1 99 VAL 21.869 0.806 15 20 [-*************+*****]
1 100 ILE 3.859 0.094 1 0 "[ . 1 . 2]"
1 101 THR 2.457 0.102 11 0 "[ . 1 . 2]"
1 102 LEU 6.609 0.113 15 0 "[ . 1 . 2]"
1 103 SER 1.702 0.101 3 0 "[ . 1 . 2]"
1 104 LYS 17.449 0.806 15 20 [-*************+*****]
1 105 ALA 5.426 0.112 4 0 "[ . 1 . 2]"
1 106 TRP 23.433 0.191 15 0 "[ . 1 . 2]"
1 107 SER 8.012 0.153 11 0 "[ . 1 . 2]"
1 108 VAL 12.720 0.170 8 0 "[ . 1 . 2]"
1 109 VAL 11.940 0.124 17 0 "[ . 1 . 2]"
1 110 LYS 13.092 0.174 18 0 "[ . 1 . 2]"
1 111 LYS 4.665 0.123 19 0 "[ . 1 . 2]"
1 112 TYR 1.228 0.085 9 0 "[ . 1 . 2]"
1 113 LEU 1.620 0.093 10 0 "[ . 1 . 2]"
1 114 GLU 0.000 0.000 . 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 47 TYR QE 1 85 LYS H . . 4.300 3.614 3.245 4.242 . 0 0 "[ . 1 . 2]" 1
2 1 54 ARG HA 1 85 LYS H . . 5.500 4.573 4.118 5.166 . 0 0 "[ . 1 . 2]" 1
3 1 85 LYS H 1 85 LYS HG3 . . 4.840 4.314 3.087 4.482 . 0 0 "[ . 1 . 2]" 1
4 1 59 TRP HE1 1 60 HIS HE1 . . 4.670 4.345 4.194 4.487 . 0 0 "[ . 1 . 2]" 1
5 1 59 TRP HE1 1 60 HIS HA . . 5.090 4.880 4.774 4.982 . 0 0 "[ . 1 . 2]" 1
6 1 59 TRP HB3 1 59 TRP HE1 . . 4.800 4.748 4.739 4.755 . 0 0 "[ . 1 . 2]" 1
7 1 59 TRP HE1 1 108 VAL HB . . 5.500 5.572 5.535 5.620 0.120 8 0 "[ . 1 . 2]" 1
8 1 59 TRP HE1 1 108 VAL MG2 . . 4.510 4.495 4.448 4.523 0.013 3 0 "[ . 1 . 2]" 1
9 1 59 TRP HE1 1 108 VAL MG1 . . 5.500 4.129 4.050 4.203 . 0 0 "[ . 1 . 2]" 1
10 1 59 TRP HE1 1 63 LEU MD1 . . 3.620 3.311 3.270 3.357 . 0 0 "[ . 1 . 2]" 1
11 1 59 TRP HE1 1 63 LEU MD2 . . 3.620 2.940 2.821 2.994 . 0 0 "[ . 1 . 2]" 1
12 1 12 LEU H 1 106 TRP HE1 . . 5.500 4.930 4.443 5.032 . 0 0 "[ . 1 . 2]" 1
13 1 11 GLU HA 1 106 TRP HE1 . . 5.070 5.105 4.578 5.182 0.112 14 0 "[ . 1 . 2]" 1
14 1 12 LEU HA 1 106 TRP HE1 . . 4.580 4.695 4.625 4.745 0.165 12 0 "[ . 1 . 2]" 1
15 1 106 TRP HE1 1 110 LYS HE2 . . 4.020 3.114 2.868 4.023 0.003 4 0 "[ . 1 . 2]" 1
16 1 106 TRP HE1 1 110 LYS HE3 . . 4.060 2.899 2.404 3.081 . 0 0 "[ . 1 . 2]" 1
17 1 11 GLU HB2 1 106 TRP HE1 . . 4.130 4.037 2.595 4.170 0.040 17 0 "[ . 1 . 2]" 1
18 1 11 GLU HG3 1 106 TRP HE1 . . 4.440 2.277 2.134 2.977 . 0 0 "[ . 1 . 2]" 1
19 1 11 GLU HB3 1 106 TRP HE1 . . 4.130 3.197 1.961 3.394 . 0 0 "[ . 1 . 2]" 1
20 1 106 TRP HE1 1 110 LYS QD . . 3.410 3.284 3.217 3.367 . 0 0 "[ . 1 . 2]" 1
21 1 106 TRP HE1 1 110 LYS QB . . 3.980 3.812 3.601 3.939 . 0 0 "[ . 1 . 2]" 1
22 1 12 LEU MD2 1 106 TRP HE1 . . 4.010 3.381 3.322 3.522 . 0 0 "[ . 1 . 2]" 1
23 1 53 ASP H 1 54 ARG H . . 4.620 4.649 4.589 4.679 0.059 18 0 "[ . 1 . 2]" 1
24 1 52 ILE H 1 53 ASP H . . 4.580 4.541 4.501 4.619 0.039 14 0 "[ . 1 . 2]" 1
25 1 53 ASP H 1 54 ARG HA . . 5.500 5.547 5.464 5.615 0.115 4 0 "[ . 1 . 2]" 1
26 1 53 ASP H 1 53 ASP HB2 . . 3.210 2.511 2.385 2.757 . 0 0 "[ . 1 . 2]" 1
27 1 53 ASP H 1 53 ASP HB3 . . 3.610 3.203 2.254 3.610 0.000 18 0 "[ . 1 . 2]" 1
28 1 53 ASP H 1 56 ARG QB . . 4.510 3.268 3.026 3.449 . 0 0 "[ . 1 . 2]" 1
29 1 56 ARG H 1 58 ASP H . . 4.800 4.085 3.984 4.313 . 0 0 "[ . 1 . 2]" 1
30 1 56 ARG H 1 59 TRP H . . 5.130 4.858 4.819 4.895 . 0 0 "[ . 1 . 2]" 1
31 1 56 ARG H 1 56 ARG QD . . 4.480 4.426 4.283 4.557 0.077 4 0 "[ . 1 . 2]" 1
32 1 56 ARG H 1 57 GLY HA3 . . 5.100 4.805 4.786 4.854 . 0 0 "[ . 1 . 2]" 1
33 1 53 ASP HB2 1 56 ARG H . . 4.180 3.325 2.810 4.339 0.159 14 0 "[ . 1 . 2]" 1
34 1 53 ASP HB3 1 56 ARG H . . 4.180 3.027 2.923 3.168 . 0 0 "[ . 1 . 2]" 1
35 1 56 ARG H 1 56 ARG QB . . 2.770 2.181 2.164 2.212 . 0 0 "[ . 1 . 2]" 1
36 1 56 ARG H 1 56 ARG HG2 . . 4.240 4.318 4.283 4.356 0.116 3 0 "[ . 1 . 2]" 1
37 1 52 ILE MD 1 56 ARG H . . 5.370 5.216 5.123 5.339 . 0 0 "[ . 1 . 2]" 1
38 1 47 TYR HB3 1 54 ARG H . . 5.500 4.753 4.430 4.984 . 0 0 "[ . 1 . 2]" 1
39 1 47 TYR QD 1 54 ARG H . . 4.780 4.788 4.562 4.907 0.127 4 0 "[ . 1 . 2]" 1
40 1 53 ASP HB3 1 54 ARG H . . 4.550 3.375 2.805 4.397 . 0 0 "[ . 1 . 2]" 1
41 1 54 ARG H 1 54 ARG HG2 . . 3.290 2.288 1.812 3.308 0.018 8 0 "[ . 1 . 2]" 1
42 1 54 ARG H 1 54 ARG HG3 . . 3.290 2.965 1.936 3.372 0.082 3 0 "[ . 1 . 2]" 1
43 1 52 ILE MG 1 54 ARG H . . 4.790 4.716 4.449 4.861 0.071 15 0 "[ . 1 . 2]" 1
44 1 66 MET H 1 70 VAL H . . 5.300 5.378 5.334 5.446 0.146 14 0 "[ . 1 . 2]" 1
45 1 68 HIS H 1 70 VAL H . . 3.710 3.739 3.700 3.776 0.066 2 0 "[ . 1 . 2]" 1
46 1 17 SER HA 1 70 VAL H . . 5.500 5.999 5.670 6.184 0.684 4 9 "[ * +* 1****. *- 2]" 1
47 1 68 HIS HA 1 70 VAL H . . 4.650 4.679 4.652 4.706 0.056 7 0 "[ . 1 . 2]" 1
48 1 69 GLY HA2 1 70 VAL H . . 3.420 3.412 3.366 3.426 0.006 11 0 "[ . 1 . 2]" 1
49 1 68 HIS HB2 1 70 VAL H . . 4.760 4.658 4.583 4.753 . 0 0 "[ . 1 . 2]" 1
50 1 68 HIS HB3 1 70 VAL H . . 4.390 3.014 2.910 3.160 . 0 0 "[ . 1 . 2]" 1
51 1 70 VAL H 1 70 VAL HB . . 3.260 2.882 2.842 2.959 . 0 0 "[ . 1 . 2]" 1
52 1 65 LEU HB3 1 70 VAL H . . 4.720 4.458 4.285 4.557 . 0 0 "[ . 1 . 2]" 1
53 1 70 VAL H 1 70 VAL MG2 . . 4.100 3.822 3.783 3.850 . 0 0 "[ . 1 . 2]" 1
54 1 104 LYS QE 1 105 ALA H . . 5.500 5.276 4.816 5.379 . 0 0 "[ . 1 . 2]" 1
55 1 105 ALA H 1 107 SER H . . 4.480 3.927 3.880 4.023 . 0 0 "[ . 1 . 2]" 1
56 1 59 TRP HE3 1 105 ALA H . . 4.630 4.688 4.656 4.728 0.098 13 0 "[ . 1 . 2]" 1
57 1 59 TRP HH2 1 105 ALA H . . 3.930 3.960 3.911 4.007 0.077 2 0 "[ . 1 . 2]" 1
58 1 102 LEU HA 1 105 ALA H . . 3.830 3.528 3.429 3.575 . 0 0 "[ . 1 . 2]" 1
59 1 105 ALA H 1 106 TRP HB2 . . 5.450 5.103 5.064 5.205 . 0 0 "[ . 1 . 2]" 1
60 1 104 LYS HB3 1 105 ALA H . . 3.850 3.800 3.772 3.851 0.001 14 0 "[ . 1 . 2]" 1
61 1 105 ALA H 1 105 ALA MB . . 2.740 2.198 2.190 2.208 . 0 0 "[ . 1 . 2]" 1
62 1 104 LYS H 1 106 TRP HB3 . . 5.500 5.404 5.309 5.521 0.021 9 0 "[ . 1 . 2]" 1
63 1 99 VAL HA 1 104 LYS H . . 5.500 6.090 6.001 6.306 0.806 15 20 [-*************+*****] 1
64 1 104 LYS H 1 105 ALA H . . 3.080 2.501 2.464 2.532 . 0 0 "[ . 1 . 2]" 1
65 1 102 LEU H 1 104 LYS H . . 4.610 4.221 4.157 4.345 . 0 0 "[ . 1 . 2]" 1
66 1 104 LYS H 1 107 SER H . . 5.500 4.664 4.592 4.769 . 0 0 "[ . 1 . 2]" 1
67 1 102 LEU HA 1 104 LYS H . . 4.840 4.565 4.498 4.598 . 0 0 "[ . 1 . 2]" 1
68 1 100 ILE HA 1 104 LYS H . . 5.500 4.229 4.089 4.482 . 0 0 "[ . 1 . 2]" 1
69 1 104 LYS H 1 104 LYS QE . . 4.980 4.672 3.940 4.817 . 0 0 "[ . 1 . 2]" 1
70 1 2 VAL H 1 2 VAL HB . . 3.660 3.278 2.295 3.614 . 0 0 "[ . 1 . 2]" 1
71 1 104 LYS H 1 104 LYS HG3 . . 3.180 2.411 2.348 2.654 . 0 0 "[ . 1 . 2]" 1
72 1 104 LYS H 1 104 LYS HG2 . . 3.570 3.578 3.427 3.619 0.049 19 0 "[ . 1 . 2]" 1
73 1 2 VAL H 1 2 VAL MG1 . . 3.930 2.401 1.892 3.714 . 0 0 "[ . 1 . 2]" 1
74 1 102 LEU QD 1 104 LYS H . . 5.330 5.263 5.225 5.298 . 0 0 "[ . 1 . 2]" 1
75 1 102 LEU HG 1 104 LYS H . . 5.500 5.531 5.458 5.613 0.113 15 0 "[ . 1 . 2]" 1
76 1 97 TYR QD 1 98 PHE H . . 4.330 3.700 3.446 4.396 0.066 11 0 "[ . 1 . 2]" 1
77 1 98 PHE H 1 99 VAL HB . . 5.320 4.873 4.758 4.911 . 0 0 "[ . 1 . 2]" 1
78 1 98 PHE H 1 99 VAL H . . 4.420 2.776 2.722 2.809 . 0 0 "[ . 1 . 2]" 1
79 1 97 TYR H 1 98 PHE H . . 4.280 2.680 2.451 2.774 . 0 0 "[ . 1 . 2]" 1
80 1 98 PHE H 1 98 PHE HB3 . . 3.480 2.285 2.226 2.314 . 0 0 "[ . 1 . 2]" 1
81 1 86 ALA MB 1 98 PHE H . . 4.660 4.208 3.952 4.408 . 0 0 "[ . 1 . 2]" 1
82 1 98 PHE H 1 99 VAL MG2 . . 4.780 4.373 4.345 4.422 . 0 0 "[ . 1 . 2]" 1
83 1 99 VAL MG1 1 104 LYS H . . 5.500 5.483 5.428 5.558 0.058 15 0 "[ . 1 . 2]" 1
84 1 3 VAL H 1 5 PHE QB . . 5.500 4.938 4.620 5.262 . 0 0 "[ . 1 . 2]" 1
85 1 2 VAL H 1 3 VAL H . . 3.700 2.674 2.559 2.738 . 0 0 "[ . 1 . 2]" 1
86 1 3 VAL H 1 4 GLU HA . . 5.290 5.211 5.091 5.333 0.043 8 0 "[ . 1 . 2]" 1
87 1 3 VAL H 1 4 GLU QG . . 4.670 4.258 3.867 4.818 0.148 11 0 "[ . 1 . 2]" 1
88 1 2 VAL HB 1 3 VAL H . . 3.990 3.733 2.591 4.145 0.155 4 0 "[ . 1 . 2]" 1
89 1 3 VAL H 1 3 VAL HB . . 3.010 2.447 2.389 2.589 . 0 0 "[ . 1 . 2]" 1
90 1 2 VAL MG1 1 3 VAL H . . 4.400 3.778 3.254 3.984 . 0 0 "[ . 1 . 2]" 1
91 1 2 VAL MG2 1 3 VAL H . . 4.400 2.819 2.349 4.005 . 0 0 "[ . 1 . 2]" 1
92 1 21 VAL H 1 22 GLU H . . 3.310 2.844 2.823 2.863 . 0 0 "[ . 1 . 2]" 1
93 1 21 VAL H 1 24 ILE H . . 5.140 4.814 4.739 4.939 . 0 0 "[ . 1 . 2]" 1
94 1 21 VAL H 1 23 LYS H . . 4.550 4.339 4.293 4.368 . 0 0 "[ . 1 . 2]" 1
95 1 21 VAL H 1 21 VAL HA . . 2.820 2.802 2.794 2.809 . 0 0 "[ . 1 . 2]" 1
96 1 21 VAL H 1 22 GLU HA . . 5.500 5.379 5.355 5.403 . 0 0 "[ . 1 . 2]" 1
97 1 21 VAL H 1 75 LYS QE . . 4.520 3.660 3.529 3.793 . 0 0 "[ . 1 . 2]" 1
98 1 20 PRO HB2 1 21 VAL H . . 3.350 3.068 3.024 3.121 . 0 0 "[ . 1 . 2]" 1
99 1 21 VAL H 1 22 GLU QG . . 4.650 4.223 4.186 4.264 . 0 0 "[ . 1 . 2]" 1
100 1 21 VAL H 1 75 LYS HB3 . . 5.300 5.041 4.953 5.154 . 0 0 "[ . 1 . 2]" 1
101 1 21 VAL H 1 75 LYS QD . . 5.500 4.232 4.120 4.368 . 0 0 "[ . 1 . 2]" 1
102 1 21 VAL H 1 24 ILE HG12 . . 4.880 4.218 4.171 4.320 . 0 0 "[ . 1 . 2]" 1
103 1 21 VAL H 1 75 LYS HG3 . . 5.400 5.468 5.446 5.488 0.088 12 0 "[ . 1 . 2]" 1
104 1 21 VAL H 1 21 VAL MG1 . . 2.990 1.820 1.779 1.864 . 0 0 "[ . 1 . 2]" 1
105 1 21 VAL H 1 21 VAL MG2 . . 2.990 2.278 2.215 2.373 . 0 0 "[ . 1 . 2]" 1
106 1 7 GLU HA 1 8 LEU H . . 3.550 3.546 3.528 3.561 0.011 8 0 "[ . 1 . 2]" 1
107 1 5 PHE QB 1 8 LEU H . . 5.190 4.841 4.602 5.043 . 0 0 "[ . 1 . 2]" 1
108 1 8 LEU H 1 10 LYS QE . . 5.500 5.072 4.860 5.348 . 0 0 "[ . 1 . 2]" 1
109 1 8 LEU H 1 8 LEU HB2 . . 3.000 2.662 2.612 2.696 . 0 0 "[ . 1 . 2]" 1
110 1 8 LEU H 1 8 LEU HB3 . . 3.000 2.325 2.303 2.350 . 0 0 "[ . 1 . 2]" 1
111 1 8 LEU H 1 8 LEU MD1 . . 4.320 4.176 4.145 4.190 . 0 0 "[ . 1 . 2]" 1
112 1 8 LEU H 1 8 LEU MD2 . . 4.320 4.203 4.180 4.219 . 0 0 "[ . 1 . 2]" 1
113 1 28 ILE H 1 31 LYS H . . 5.500 5.114 4.953 5.266 . 0 0 "[ . 1 . 2]" 1
114 1 30 THR H 1 31 LYS H . . 2.960 2.315 2.132 2.463 . 0 0 "[ . 1 . 2]" 1
115 1 31 LYS H 1 68 HIS HD2 . . 5.500 5.326 4.921 5.734 0.234 20 0 "[ . 1 . 2]" 1
116 1 30 THR HA 1 31 LYS H . . 3.210 3.232 3.087 3.317 0.107 11 0 "[ . 1 . 2]" 1
117 1 29 CYS HA 1 31 LYS H . . 4.020 4.124 3.893 4.298 0.278 5 0 "[ . 1 . 2]" 1
118 1 27 GLU HA 1 31 LYS H . . 5.200 4.526 4.228 4.810 . 0 0 "[ . 1 . 2]" 1
119 1 28 ILE HA 1 31 LYS H . . 4.110 3.759 3.470 3.976 . 0 0 "[ . 1 . 2]" 1
120 1 31 LYS H 1 31 LYS QE . . 5.350 5.087 4.718 5.606 0.256 9 0 "[ . 1 . 2]" 1
121 1 31 LYS H 1 31 LYS QB . . 3.070 2.377 2.123 2.707 . 0 0 "[ . 1 . 2]" 1
122 1 31 LYS H 1 31 LYS HG2 . . 4.380 3.982 2.184 4.279 . 0 0 "[ . 1 . 2]" 1
123 1 28 ILE MG 1 31 LYS H . . 4.730 4.746 4.550 4.941 0.211 19 0 "[ . 1 . 2]" 1
124 1 47 TYR H 1 48 ALA H . . 3.320 2.779 2.739 2.799 . 0 0 "[ . 1 . 2]" 1
125 1 48 ALA H 1 50 VAL H . . 4.490 4.170 4.077 4.242 . 0 0 "[ . 1 . 2]" 1
126 1 47 TYR QD 1 48 ALA H . . 4.960 4.657 4.596 4.694 . 0 0 "[ . 1 . 2]" 1
127 1 47 TYR HB2 1 48 ALA H . . 3.820 2.972 2.906 3.018 . 0 0 "[ . 1 . 2]" 1
128 1 47 TYR HB3 1 48 ALA H . . 3.710 3.791 3.761 3.828 0.118 1 0 "[ . 1 . 2]" 1
129 1 48 ALA H 1 48 ALA MB . . 2.740 2.208 2.196 2.221 . 0 0 "[ . 1 . 2]" 1
130 1 46 THR MG 1 48 ALA H . . 3.810 1.944 1.866 2.034 . 0 0 "[ . 1 . 2]" 1
131 1 48 ALA H 1 50 VAL MG2 . . 4.640 4.486 4.417 4.554 . 0 0 "[ . 1 . 2]" 1
132 1 48 ALA H 1 52 ILE MG . . 4.990 4.747 4.702 4.791 . 0 0 "[ . 1 . 2]" 1
133 1 40 ILE MD 1 48 ALA H . . 5.380 5.060 4.828 5.426 0.046 16 0 "[ . 1 . 2]" 1
134 1 4 GLU H 1 4 GLU QG . . 3.480 2.459 2.072 3.031 . 0 0 "[ . 1 . 2]" 1
135 1 22 GLU H 1 24 ILE H . . 4.070 3.950 3.900 4.001 . 0 0 "[ . 1 . 2]" 1
136 1 23 LYS H 1 24 ILE H . . 3.000 2.229 2.209 2.250 . 0 0 "[ . 1 . 2]" 1
137 1 21 VAL HA 1 24 ILE H . . 4.680 2.963 2.841 3.085 . 0 0 "[ . 1 . 2]" 1
138 1 22 GLU HA 1 24 ILE H . . 4.580 4.339 4.142 4.438 . 0 0 "[ . 1 . 2]" 1
139 1 23 LYS QE 1 24 ILE H . . 5.450 5.355 5.244 5.563 0.113 2 0 "[ . 1 . 2]" 1
140 1 24 ILE H 1 24 ILE HB . . 3.470 2.470 2.443 2.506 . 0 0 "[ . 1 . 2]" 1
141 1 24 ILE H 1 24 ILE HG12 . . 2.980 2.105 2.038 2.155 . 0 0 "[ . 1 . 2]" 1
142 1 24 ILE H 1 24 ILE MD . . 3.140 3.155 3.087 3.177 0.037 16 0 "[ . 1 . 2]" 1
143 1 46 THR H 1 47 TYR H . . 4.760 4.512 4.482 4.546 . 0 0 "[ . 1 . 2]" 1
144 1 47 TYR H 1 47 TYR QD . . 3.700 3.281 3.207 3.325 . 0 0 "[ . 1 . 2]" 1
145 1 46 THR HA 1 47 TYR H . . 3.500 2.508 2.479 2.537 . 0 0 "[ . 1 . 2]" 1
146 1 47 TYR H 1 48 ALA HA . . 5.480 5.367 5.329 5.387 . 0 0 "[ . 1 . 2]" 1
147 1 47 TYR H 1 47 TYR HB2 . . 3.810 2.409 2.387 2.450 . 0 0 "[ . 1 . 2]" 1
148 1 47 TYR H 1 47 TYR HB3 . . 3.710 3.583 3.573 3.611 . 0 0 "[ . 1 . 2]" 1
149 1 47 TYR H 1 81 PRO HB2 . . 4.340 2.778 2.619 2.867 . 0 0 "[ . 1 . 2]" 1
150 1 47 TYR H 1 50 VAL MG2 . . 4.490 4.484 4.373 4.550 0.060 14 0 "[ . 1 . 2]" 1
151 1 40 ILE MG 1 47 TYR H . . 4.640 4.635 4.490 4.702 0.062 4 0 "[ . 1 . 2]" 1
152 1 47 TYR H 1 52 ILE MG . . 4.520 4.548 4.493 4.587 0.067 6 0 "[ . 1 . 2]" 1
153 1 40 ILE MD 1 47 TYR H . . 4.230 3.703 3.410 4.077 . 0 0 "[ . 1 . 2]" 1
154 1 3 VAL H 1 4 GLU H . . 3.910 2.558 2.396 2.738 . 0 0 "[ . 1 . 2]" 1
155 1 4 GLU H 1 5 PHE QB . . 5.160 4.247 4.095 4.417 . 0 0 "[ . 1 . 2]" 1
156 1 15 ARG HB2 1 16 ASP H . . 4.060 3.542 3.333 3.711 . 0 0 "[ . 1 . 2]" 1
157 1 13 VAL H 1 16 ASP H . . 5.130 4.917 4.851 4.968 . 0 0 "[ . 1 . 2]" 1
158 1 15 ARG HA 1 16 ASP H . . 3.560 3.346 3.281 3.416 . 0 0 "[ . 1 . 2]" 1
159 1 14 LYS HA 1 16 ASP H . . 4.130 4.073 4.019 4.156 0.026 18 0 "[ . 1 . 2]" 1
160 1 13 VAL HA 1 16 ASP H . . 3.660 3.317 3.155 3.488 . 0 0 "[ . 1 . 2]" 1
161 1 14 LYS QB 1 16 ASP H . . 4.630 4.701 4.667 4.765 0.135 18 0 "[ . 1 . 2]" 1
162 1 16 ASP H 1 71 THR MG . . 4.590 4.104 3.966 4.210 . 0 0 "[ . 1 . 2]" 1
163 1 94 THR H 1 95 GLN H . . 4.380 2.650 2.554 2.739 . 0 0 "[ . 1 . 2]" 1
164 1 94 THR MG 1 95 GLN H . . 4.360 3.538 3.079 3.919 . 0 0 "[ . 1 . 2]" 1
165 1 12 LEU HA 1 16 ASP H . . 4.980 4.467 4.401 4.625 . 0 0 "[ . 1 . 2]" 1
166 1 15 ARG HB3 1 16 ASP H . . 4.410 4.251 4.154 4.313 . 0 0 "[ . 1 . 2]" 1
167 1 15 ARG QG 1 16 ASP H . . 4.750 4.449 4.345 4.551 . 0 0 "[ . 1 . 2]" 1
168 1 5 PHE H 1 8 LEU H . . 5.500 4.730 4.620 4.874 . 0 0 "[ . 1 . 2]" 1
169 1 4 GLU H 1 5 PHE H . . 4.080 2.407 2.348 2.468 . 0 0 "[ . 1 . 2]" 1
170 1 2 VAL HA 1 5 PHE H . . 5.500 3.278 3.079 3.462 . 0 0 "[ . 1 . 2]" 1
171 1 3 VAL HA 1 5 PHE H . . 4.650 4.147 4.065 4.307 . 0 0 "[ . 1 . 2]" 1
172 1 5 PHE H 1 5 PHE QB . . 3.340 2.222 2.168 2.298 . 0 0 "[ . 1 . 2]" 1
173 1 4 GLU QG 1 5 PHE H . . 4.300 4.197 3.978 4.479 0.179 5 0 "[ . 1 . 2]" 1
174 1 4 GLU QB 1 5 PHE H . . 3.880 2.821 2.748 2.873 . 0 0 "[ . 1 . 2]" 1
175 1 18 GLY H 1 19 LYS H . . 3.160 2.807 2.644 2.915 . 0 0 "[ . 1 . 2]" 1
176 1 17 SER H 1 19 LYS H . . 5.200 4.245 4.045 4.469 . 0 0 "[ . 1 . 2]" 1
177 1 18 GLY HA2 1 19 LYS H . . 3.390 3.411 3.195 3.484 0.094 20 0 "[ . 1 . 2]" 1
178 1 19 LYS H 1 75 LYS QE . . 3.790 3.449 2.858 3.701 . 0 0 "[ . 1 . 2]" 1
179 1 19 LYS H 1 24 ILE MD . . 3.990 3.388 3.129 3.710 . 0 0 "[ . 1 . 2]" 1
180 1 75 LYS H 1 78 GLU HB2 . . 5.460 5.513 5.476 5.535 0.075 16 0 "[ . 1 . 2]" 1
181 1 74 ASP H 1 75 LYS H . . 3.000 2.478 2.434 2.577 . 0 0 "[ . 1 . 2]" 1
182 1 75 LYS H 1 77 LEU H . . 4.830 3.929 3.832 4.090 . 0 0 "[ . 1 . 2]" 1
183 1 75 LYS H 1 76 ILE H . . 3.140 2.446 2.355 2.527 . 0 0 "[ . 1 . 2]" 1
184 1 72 ASP HA 1 75 LYS H . . 5.020 4.545 4.504 4.584 . 0 0 "[ . 1 . 2]" 1
185 1 75 LYS H 1 75 LYS QE . . 4.920 4.913 4.826 4.954 0.034 2 0 "[ . 1 . 2]" 1
186 1 75 LYS H 1 78 GLU HB3 . . 5.240 5.264 5.232 5.319 0.079 8 0 "[ . 1 . 2]" 1
187 1 75 LYS H 1 75 LYS HB3 . . 3.940 3.606 3.593 3.618 . 0 0 "[ . 1 . 2]" 1
188 1 75 LYS H 1 75 LYS QD . . 4.200 3.878 3.847 3.903 . 0 0 "[ . 1 . 2]" 1
189 1 75 LYS H 1 75 LYS HG3 . . 3.120 2.270 2.169 2.312 . 0 0 "[ . 1 . 2]" 1
190 1 100 ILE H 1 100 ILE MD . . 3.430 3.389 3.348 3.451 0.021 14 0 "[ . 1 . 2]" 1
191 1 99 VAL MG1 1 100 ILE H . . 3.510 3.509 3.444 3.545 0.035 5 0 "[ . 1 . 2]" 1
192 1 98 PHE HD1 1 100 ILE H . . 5.390 5.206 5.075 5.256 . 0 0 "[ . 1 . 2]" 1
193 1 100 ILE H 1 100 ILE HB . . 3.120 2.393 2.345 2.417 . 0 0 "[ . 1 . 2]" 1
194 1 100 ILE H 1 100 ILE HG12 . . 3.430 2.255 2.216 2.322 . 0 0 "[ . 1 . 2]" 1
195 1 100 ILE H 1 100 ILE HG13 . . 3.850 3.639 3.616 3.682 . 0 0 "[ . 1 . 2]" 1
196 1 17 SER H 1 72 ASP H . . 5.230 3.990 3.790 4.171 . 0 0 "[ . 1 . 2]" 1
197 1 72 ASP H 1 75 LYS HG3 . . 5.500 4.434 4.347 4.486 . 0 0 "[ . 1 . 2]" 1
198 1 12 LEU MD2 1 72 ASP H . . 5.500 5.128 4.998 5.365 . 0 0 "[ . 1 . 2]" 1
199 1 71 THR H 1 72 ASP H . . 3.080 1.860 1.837 1.898 . 0 0 "[ . 1 . 2]" 1
200 1 71 THR HA 1 72 ASP H . . 3.470 3.368 3.325 3.391 . 0 0 "[ . 1 . 2]" 1
201 1 13 VAL HA 1 72 ASP H . . 5.300 5.164 4.925 5.351 0.051 18 0 "[ . 1 . 2]" 1
202 1 72 ASP H 1 75 LYS QD . . 3.760 3.225 3.179 3.296 . 0 0 "[ . 1 . 2]" 1
203 1 71 THR MG 1 72 ASP H . . 4.050 3.988 3.953 4.037 . 0 0 "[ . 1 . 2]" 1
204 1 12 LEU MD1 1 72 ASP H . . 5.400 5.448 5.345 5.493 0.093 5 0 "[ . 1 . 2]" 1
205 1 102 LEU H 1 105 ALA H . . 5.320 4.620 4.575 4.658 . 0 0 "[ . 1 . 2]" 1
206 1 98 PHE HD1 1 102 LEU H . . 5.230 5.232 5.132 5.315 0.085 15 0 "[ . 1 . 2]" 1
207 1 99 VAL HA 1 102 LEU H . . 3.640 3.180 3.127 3.231 . 0 0 "[ . 1 . 2]" 1
208 1 102 LEU H 1 102 LEU HB2 . . 3.350 2.591 2.562 2.618 . 0 0 "[ . 1 . 2]" 1
209 1 101 THR MG 1 102 LEU H . . 3.770 3.815 3.797 3.828 0.058 14 0 "[ . 1 . 2]" 1
210 1 102 LEU H 1 102 LEU HB3 . . 3.350 2.318 2.299 2.355 . 0 0 "[ . 1 . 2]" 1
211 1 99 VAL MG2 1 102 LEU H . . 5.500 4.902 4.862 4.968 . 0 0 "[ . 1 . 2]" 1
212 1 102 LEU H 1 102 LEU QD . . 3.910 3.693 3.681 3.709 . 0 0 "[ . 1 . 2]" 1
213 1 102 LEU H 1 102 LEU HG . . 4.430 4.333 4.321 4.353 . 0 0 "[ . 1 . 2]" 1
214 1 62 ILE H 1 65 LEU H . . 5.060 5.045 5.009 5.089 0.029 16 0 "[ . 1 . 2]" 1
215 1 64 TYR H 1 65 LEU H . . 3.370 2.682 2.638 2.736 . 0 0 "[ . 1 . 2]" 1
216 1 64 TYR QD 1 65 LEU H . . 3.720 3.469 3.334 3.637 . 0 0 "[ . 1 . 2]" 1
217 1 64 TYR QE 1 65 LEU H . . 5.400 5.373 5.309 5.464 0.064 15 0 "[ . 1 . 2]" 1
218 1 61 VAL HA 1 65 LEU H . . 4.450 4.425 4.344 4.508 0.058 1 0 "[ . 1 . 2]" 1
219 1 62 ILE HA 1 65 LEU H . . 4.130 3.622 3.510 3.692 . 0 0 "[ . 1 . 2]" 1
220 1 64 TYR QB 1 65 LEU H . . 3.280 2.857 2.710 2.974 . 0 0 "[ . 1 . 2]" 1
221 1 65 LEU H 1 65 LEU HB2 . . 2.980 2.262 2.082 2.376 . 0 0 "[ . 1 . 2]" 1
222 1 65 LEU H 1 65 LEU HB3 . . 3.800 3.511 3.407 3.568 . 0 0 "[ . 1 . 2]" 1
223 1 61 VAL MG1 1 65 LEU H . . 4.450 4.399 4.318 4.453 0.003 9 0 "[ . 1 . 2]" 1
224 1 65 LEU H 1 65 LEU MD2 . . 4.170 3.588 3.393 3.867 . 0 0 "[ . 1 . 2]" 1
225 1 9 ARG H 1 11 GLU H . . 4.390 4.009 3.939 4.108 . 0 0 "[ . 1 . 2]" 1
226 1 11 GLU H 1 13 VAL H . . 4.470 4.286 4.233 4.341 . 0 0 "[ . 1 . 2]" 1
227 1 10 LYS H 1 11 GLU H . . 3.180 2.505 2.472 2.574 . 0 0 "[ . 1 . 2]" 1
228 1 8 LEU HA 1 11 GLU H . . 3.610 3.399 3.336 3.533 . 0 0 "[ . 1 . 2]" 1
229 1 10 LYS QE 1 11 GLU H . . 5.150 4.732 4.362 5.071 . 0 0 "[ . 1 . 2]" 1
230 1 11 GLU H 1 11 GLU HB2 . . 3.300 2.589 2.202 2.636 . 0 0 "[ . 1 . 2]" 1
231 1 11 GLU H 1 11 GLU HB3 . . 3.300 2.463 2.371 3.510 0.210 18 0 "[ . 1 . 2]" 1
232 1 11 GLU H 1 12 LEU HG . . 4.520 4.317 4.258 4.410 . 0 0 "[ . 1 . 2]" 1
233 1 11 GLU H 1 13 VAL MG2 . . 4.440 4.226 4.008 4.342 . 0 0 "[ . 1 . 2]" 1
234 1 11 GLU H 1 13 VAL MG1 . . 5.250 5.204 5.114 5.272 0.022 18 0 "[ . 1 . 2]" 1
235 1 61 VAL H 1 62 ILE H . . 3.200 2.555 2.519 2.585 . 0 0 "[ . 1 . 2]" 1
236 1 60 HIS H 1 61 VAL H . . 3.210 2.657 2.631 2.698 . 0 0 "[ . 1 . 2]" 1
237 1 60 HIS HD2 1 61 VAL H . . 4.860 4.912 4.887 4.946 0.086 11 0 "[ . 1 . 2]" 1
238 1 47 TYR QE 1 61 VAL H . . 5.470 5.135 4.927 5.368 . 0 0 "[ . 1 . 2]" 1
239 1 58 ASP HA 1 61 VAL H . . 3.920 3.612 3.384 3.697 . 0 0 "[ . 1 . 2]" 1
240 1 59 TRP HA 1 61 VAL H . . 4.720 4.376 4.329 4.435 . 0 0 "[ . 1 . 2]" 1
241 1 60 HIS HB2 1 61 VAL H . . 3.480 2.945 2.905 2.977 . 0 0 "[ . 1 . 2]" 1
242 1 60 HIS HB3 1 61 VAL H . . 4.050 3.918 3.866 3.940 . 0 0 "[ . 1 . 2]" 1
243 1 61 VAL H 1 61 VAL HB . . 3.020 2.291 2.245 2.330 . 0 0 "[ . 1 . 2]" 1
244 1 61 VAL H 1 61 VAL MG2 . . 2.990 2.407 2.339 2.453 . 0 0 "[ . 1 . 2]" 1
245 1 37 ILE MD 1 61 VAL H . . 4.860 4.183 3.846 4.766 . 0 0 "[ . 1 . 2]" 1
246 1 109 VAL H 1 110 LYS H . . 3.190 2.560 2.547 2.575 . 0 0 "[ . 1 . 2]" 1
247 1 107 SER H 1 110 LYS H . . 5.040 4.807 4.774 4.833 . 0 0 "[ . 1 . 2]" 1
248 1 110 LYS H 1 113 LEU H . . 5.400 4.709 4.625 4.830 . 0 0 "[ . 1 . 2]" 1
249 1 110 LYS H 1 112 TYR H . . 4.090 3.791 3.747 3.839 . 0 0 "[ . 1 . 2]" 1
250 1 108 VAL H 1 110 LYS H . . 3.860 3.930 3.906 3.950 0.090 3 0 "[ . 1 . 2]" 1
251 1 110 LYS H 1 111 LYS H . . 3.180 2.572 2.553 2.598 . 0 0 "[ . 1 . 2]" 1
252 1 110 LYS H 1 111 LYS HA . . 5.200 5.218 5.203 5.237 0.037 13 0 "[ . 1 . 2]" 1
253 1 107 SER HA 1 110 LYS H . . 3.880 3.790 3.752 3.853 . 0 0 "[ . 1 . 2]" 1
254 1 110 LYS H 1 110 LYS HE2 . . 5.500 4.894 4.853 5.335 . 0 0 "[ . 1 . 2]" 1
255 1 108 VAL HB 1 110 LYS H . . 5.360 5.070 5.032 5.115 . 0 0 "[ . 1 . 2]" 1
256 1 110 LYS H 1 111 LYS QB . . 4.680 4.752 4.726 4.775 0.095 5 0 "[ . 1 . 2]" 1
257 1 110 LYS H 1 110 LYS QD . . 3.770 3.600 3.565 3.654 . 0 0 "[ . 1 . 2]" 1
258 1 109 VAL MG1 1 110 LYS H . . 3.920 3.928 3.911 3.945 0.025 20 0 "[ . 1 . 2]" 1
259 1 109 VAL MG2 1 110 LYS H . . 3.060 2.338 2.310 2.372 . 0 0 "[ . 1 . 2]" 1
260 1 110 LYS H 1 110 LYS QB . . 2.750 2.452 2.441 2.471 . 0 0 "[ . 1 . 2]" 1
261 1 110 LYS H 1 110 LYS HG2 . . 3.030 2.239 2.193 2.288 . 0 0 "[ . 1 . 2]" 1
262 1 106 TRP H 1 109 VAL H . . 4.880 4.959 4.932 4.976 0.096 12 0 "[ . 1 . 2]" 1
263 1 105 ALA HA 1 109 VAL H . . 4.300 4.392 4.363 4.412 0.112 4 0 "[ . 1 . 2]" 1
264 1 108 VAL HB 1 109 VAL H . . 3.160 2.746 2.710 2.792 . 0 0 "[ . 1 . 2]" 1
265 1 109 VAL H 1 109 VAL MG1 . . 2.780 2.064 2.046 2.087 . 0 0 "[ . 1 . 2]" 1
266 1 109 VAL H 1 109 VAL MG2 . . 3.270 2.078 2.056 2.097 . 0 0 "[ . 1 . 2]" 1
267 1 109 VAL H 1 110 LYS QB . . 4.880 4.638 4.605 4.655 . 0 0 "[ . 1 . 2]" 1
268 1 109 VAL H 1 110 LYS HG2 . . 5.180 4.242 4.192 4.308 . 0 0 "[ . 1 . 2]" 1
269 1 106 TRP H 1 108 VAL H . . 4.110 4.152 4.136 4.186 0.076 4 0 "[ . 1 . 2]" 1
270 1 108 VAL H 1 109 VAL H . . 3.000 2.475 2.455 2.498 . 0 0 "[ . 1 . 2]" 1
271 1 104 LYS HA 1 108 VAL H . . 5.500 4.406 4.347 4.485 . 0 0 "[ . 1 . 2]" 1
272 1 105 ALA HA 1 108 VAL H . . 3.680 3.474 3.445 3.516 . 0 0 "[ . 1 . 2]" 1
273 1 108 VAL H 1 109 VAL HA . . 5.260 5.117 5.101 5.138 . 0 0 "[ . 1 . 2]" 1
274 1 106 TRP HB2 1 108 VAL H . . 5.700 5.751 5.731 5.779 0.079 4 0 "[ . 1 . 2]" 1
275 1 108 VAL H 1 108 VAL HB . . 2.870 2.313 2.294 2.327 . 0 0 "[ . 1 . 2]" 1
276 1 108 VAL H 1 108 VAL MG2 . . 2.770 2.452 2.412 2.498 . 0 0 "[ . 1 . 2]" 1
277 1 108 VAL H 1 109 VAL MG1 . . 4.360 3.792 3.769 3.811 . 0 0 "[ . 1 . 2]" 1
278 1 108 VAL H 1 109 VAL MG2 . . 4.070 3.825 3.794 3.865 . 0 0 "[ . 1 . 2]" 1
279 1 108 VAL H 1 110 LYS HG2 . . 5.000 4.401 4.368 4.430 . 0 0 "[ . 1 . 2]" 1
280 1 63 LEU MD1 1 108 VAL H . . 4.750 4.807 4.794 4.840 0.090 19 0 "[ . 1 . 2]" 1
281 1 63 LEU MD2 1 108 VAL H . . 4.750 4.115 4.077 4.143 . 0 0 "[ . 1 . 2]" 1
282 1 58 ASP H 1 85 LYS H . . 5.500 5.070 4.891 5.533 0.033 20 0 "[ . 1 . 2]" 1
283 1 58 ASP H 1 61 VAL H . . 4.810 4.858 4.795 4.900 0.090 10 0 "[ . 1 . 2]" 1
284 1 57 GLY H 1 58 ASP H . . 3.310 2.662 2.617 2.745 . 0 0 "[ . 1 . 2]" 1
285 1 58 ASP H 1 60 HIS H . . 5.500 4.663 4.523 4.722 . 0 0 "[ . 1 . 2]" 1
286 1 58 ASP H 1 59 TRP H . . 3.440 2.777 2.632 2.853 . 0 0 "[ . 1 . 2]" 1
287 1 47 TYR QE 1 58 ASP H . . 3.750 3.620 3.514 3.761 0.011 17 0 "[ . 1 . 2]" 1
288 1 58 ASP H 1 58 ASP HB2 . . 3.300 2.362 2.312 2.418 . 0 0 "[ . 1 . 2]" 1
289 1 58 ASP H 1 58 ASP HB3 . . 3.800 3.365 2.477 3.582 . 0 0 "[ . 1 . 2]" 1
290 1 14 LYS H 1 16 ASP H . . 4.260 3.874 3.798 3.920 . 0 0 "[ . 1 . 2]" 1
291 1 12 LEU HA 1 14 LYS H . . 4.840 4.086 4.032 4.129 . 0 0 "[ . 1 . 2]" 1
292 1 12 LEU H 1 14 LYS H . . 4.340 3.969 3.932 4.012 . 0 0 "[ . 1 . 2]" 1
293 1 14 LYS H 1 15 ARG HA . . 5.500 5.116 5.078 5.172 . 0 0 "[ . 1 . 2]" 1
294 1 14 LYS H 1 14 LYS QE . . 4.900 4.073 3.572 4.148 . 0 0 "[ . 1 . 2]" 1
295 1 13 VAL HB 1 14 LYS H . . 4.110 4.116 3.952 4.152 0.042 18 0 "[ . 1 . 2]" 1
296 1 14 LYS H 1 14 LYS QB . . 2.650 2.203 2.088 2.222 . 0 0 "[ . 1 . 2]" 1
297 1 14 LYS H 1 14 LYS QD . . 4.630 4.598 4.528 4.713 0.083 15 0 "[ . 1 . 2]" 1
298 1 13 VAL MG2 1 14 LYS H . . 3.410 2.485 2.278 2.522 . 0 0 "[ . 1 . 2]" 1
299 1 87 LYS QE 1 88 GLU H . . 5.500 5.396 5.252 5.544 0.044 19 0 "[ . 1 . 2]" 1
300 1 86 ALA H 1 88 GLU H . . 5.250 4.104 3.957 4.278 . 0 0 "[ . 1 . 2]" 1
301 1 83 ASP HA 1 88 GLU H . . 5.500 5.332 4.847 5.560 0.060 2 0 "[ . 1 . 2]" 1
302 1 88 GLU H 1 88 GLU HG2 . . 4.200 2.935 2.038 4.113 . 0 0 "[ . 1 . 2]" 1
303 1 88 GLU H 1 94 THR MG . . 4.650 4.051 3.218 4.719 0.069 20 0 "[ . 1 . 2]" 1
304 1 58 ASP HA 1 62 ILE H . . 4.700 3.869 3.593 4.030 . 0 0 "[ . 1 . 2]" 1
305 1 62 ILE H 1 62 ILE HB . . 3.150 2.319 2.301 2.343 . 0 0 "[ . 1 . 2]" 1
306 1 61 VAL HB 1 62 ILE H . . 3.140 2.749 2.727 2.790 . 0 0 "[ . 1 . 2]" 1
307 1 62 ILE H 1 62 ILE HG13 . . 4.020 2.448 2.406 2.478 . 0 0 "[ . 1 . 2]" 1
308 1 102 LEU QD 1 106 TRP H . . 3.890 3.844 3.666 3.926 0.036 17 0 "[ . 1 . 2]" 1
309 1 103 SER H 1 106 TRP H . . 5.410 4.765 4.668 4.850 . 0 0 "[ . 1 . 2]" 1
310 1 59 TRP HZ3 1 106 TRP H . . 5.500 5.345 5.293 5.404 . 0 0 "[ . 1 . 2]" 1
311 1 106 TRP H 1 106 TRP HD1 . . 5.500 4.919 4.894 4.967 . 0 0 "[ . 1 . 2]" 1
312 1 105 ALA MB 1 106 TRP H . . 3.020 2.475 2.441 2.538 . 0 0 "[ . 1 . 2]" 1
313 1 27 GLU H 1 30 THR H . . 5.430 4.995 4.909 5.106 . 0 0 "[ . 1 . 2]" 1
314 1 27 GLU H 1 28 ILE HA . . 5.500 5.213 5.179 5.252 . 0 0 "[ . 1 . 2]" 1
315 1 24 ILE HA 1 27 GLU H . . 3.800 3.486 3.310 3.612 . 0 0 "[ . 1 . 2]" 1
316 1 23 LYS QE 1 27 GLU H . . 5.310 3.933 3.829 4.072 . 0 0 "[ . 1 . 2]" 1
317 1 27 GLU H 1 27 GLU HG2 . . 3.740 2.495 2.110 3.388 . 0 0 "[ . 1 . 2]" 1
318 1 26 GLU QB 1 27 GLU H . . 2.640 2.461 2.337 2.566 . 0 0 "[ . 1 . 2]" 1
319 1 27 GLU H 1 28 ILE HG12 . . 4.660 4.351 4.272 4.438 . 0 0 "[ . 1 . 2]" 1
320 1 27 GLU H 1 30 THR MG . . 4.910 4.745 4.199 5.026 0.116 20 0 "[ . 1 . 2]" 1
321 1 27 GLU H 1 28 ILE HG13 . . 5.500 5.519 5.448 5.567 0.067 17 0 "[ . 1 . 2]" 1
322 1 27 GLU H 1 27 GLU HB3 . . 3.610 3.578 3.567 3.588 . 0 0 "[ . 1 . 2]" 1
323 1 5 PHE H 1 6 GLU H . . 3.790 2.622 2.558 2.673 . 0 0 "[ . 1 . 2]" 1
324 1 6 GLU H 1 8 LEU H . . 4.570 3.914 3.815 4.034 . 0 0 "[ . 1 . 2]" 1
325 1 2 VAL HA 1 6 GLU H . . 5.500 4.383 4.001 4.731 . 0 0 "[ . 1 . 2]" 1
326 1 4 GLU HA 1 6 GLU H . . 4.560 4.362 4.155 4.575 0.015 9 0 "[ . 1 . 2]" 1
327 1 5 PHE QB 1 6 GLU H . . 3.360 2.962 2.899 3.057 . 0 0 "[ . 1 . 2]" 1
328 1 6 GLU H 1 6 GLU QG . . 3.130 2.137 1.974 2.351 . 0 0 "[ . 1 . 2]" 1
329 1 79 LEU H 1 80 LEU H . . 3.110 2.357 2.220 2.435 . 0 0 "[ . 1 . 2]" 1
330 1 78 GLU HA 1 80 LEU H . . 4.270 4.003 3.819 4.228 . 0 0 "[ . 1 . 2]" 1
331 1 78 GLU HB3 1 80 LEU H . . 5.290 5.174 5.109 5.247 . 0 0 "[ . 1 . 2]" 1
332 1 22 GLU H 1 23 LYS H . . 3.150 2.559 2.512 2.583 . 0 0 "[ . 1 . 2]" 1
333 1 21 VAL HA 1 23 LYS H . . 4.210 3.836 3.771 3.889 . 0 0 "[ . 1 . 2]" 1
334 1 20 PRO HB2 1 23 LYS H . . 3.910 3.582 3.505 3.646 . 0 0 "[ . 1 . 2]" 1
335 1 22 GLU QG 1 23 LYS H . . 3.540 2.450 2.399 2.510 . 0 0 "[ . 1 . 2]" 1
336 1 23 LYS H 1 23 LYS HB3 . . 2.640 2.511 2.470 2.638 . 0 0 "[ . 1 . 2]" 1
337 1 23 LYS H 1 24 ILE HG12 . . 3.770 3.621 3.544 3.699 . 0 0 "[ . 1 . 2]" 1
338 1 85 LYS H 1 88 GLU H . . 5.500 4.826 4.680 4.990 . 0 0 "[ . 1 . 2]" 1
339 1 104 LYS H 1 106 TRP H . . 4.670 4.167 4.054 4.242 . 0 0 "[ . 1 . 2]" 1
340 1 103 SER HA 1 106 TRP H . . 4.130 3.682 3.540 3.805 . 0 0 "[ . 1 . 2]" 1
341 1 102 LEU HA 1 106 TRP H . . 4.450 3.901 3.840 3.941 . 0 0 "[ . 1 . 2]" 1
342 1 106 TRP H 1 106 TRP HB2 . . 2.890 2.549 2.528 2.573 . 0 0 "[ . 1 . 2]" 1
343 1 85 LYS H 1 86 ALA H . . 3.630 2.506 2.423 2.609 . 0 0 "[ . 1 . 2]" 1
344 1 86 ALA H 1 87 LYS H . . 3.340 2.650 2.522 2.753 . 0 0 "[ . 1 . 2]" 1
345 1 86 ALA H 1 86 ALA MB . . 2.840 2.248 2.223 2.275 . 0 0 "[ . 1 . 2]" 1
346 1 10 LYS H 1 13 VAL H . . 5.500 5.105 5.057 5.133 . 0 0 "[ . 1 . 2]" 1
347 1 13 VAL H 1 14 LYS H . . 3.120 2.656 2.602 2.699 . 0 0 "[ . 1 . 2]" 1
348 1 13 VAL H 1 72 ASP HA . . 5.500 5.125 4.859 5.437 . 0 0 "[ . 1 . 2]" 1
349 1 11 GLU HA 1 13 VAL H . . 5.090 4.728 4.641 4.794 . 0 0 "[ . 1 . 2]" 1
350 1 12 LEU HB2 1 13 VAL H . . 3.630 2.555 2.482 2.625 . 0 0 "[ . 1 . 2]" 1
351 1 12 LEU HB3 1 13 VAL H . . 3.630 3.541 3.463 3.603 . 0 0 "[ . 1 . 2]" 1
352 1 12 LEU HG 1 13 VAL H . . 4.320 4.403 4.380 4.427 0.107 20 0 "[ . 1 . 2]" 1
353 1 12 LEU MD1 1 13 VAL H . . 4.550 4.500 4.414 4.564 0.014 5 0 "[ . 1 . 2]" 1
354 1 13 VAL H 1 13 VAL MG1 . . 2.820 2.023 1.993 2.071 . 0 0 "[ . 1 . 2]" 1
355 1 12 LEU MD2 1 13 VAL H . . 4.650 4.681 4.663 4.694 0.044 13 0 "[ . 1 . 2]" 1
356 1 66 MET H 1 67 LYS H . . 3.210 2.645 2.531 2.689 . 0 0 "[ . 1 . 2]" 1
357 1 63 LEU H 1 66 MET H . . 5.160 5.086 5.002 5.130 . 0 0 "[ . 1 . 2]" 1
358 1 66 MET H 1 69 GLY H . . 5.360 5.004 4.935 5.071 . 0 0 "[ . 1 . 2]" 1
359 1 64 TYR H 1 66 MET H . . 4.530 4.170 4.077 4.254 . 0 0 "[ . 1 . 2]" 1
360 1 64 TYR QD 1 66 MET H . . 5.500 5.500 5.352 5.591 0.091 15 0 "[ . 1 . 2]" 1
361 1 66 MET H 1 106 TRP HZ3 . . 5.500 5.645 5.610 5.691 0.191 15 0 "[ . 1 . 2]" 1
362 1 63 LEU HA 1 66 MET H . . 3.750 3.618 3.550 3.662 . 0 0 "[ . 1 . 2]" 1
363 1 62 ILE HA 1 66 MET H . . 4.660 4.529 4.421 4.611 . 0 0 "[ . 1 . 2]" 1
364 1 66 MET H 1 66 MET HG2 . . 3.620 3.456 3.156 3.587 . 0 0 "[ . 1 . 2]" 1
365 1 66 MET H 1 66 MET HG3 . . 3.620 2.191 2.097 2.453 . 0 0 "[ . 1 . 2]" 1
366 1 65 LEU HB2 1 66 MET H . . 3.090 2.846 2.692 3.115 0.025 5 0 "[ . 1 . 2]" 1
367 1 66 MET H 1 66 MET HB2 . . 3.750 2.414 2.389 2.436 . 0 0 "[ . 1 . 2]" 1
368 1 66 MET H 1 66 MET HB3 . . 3.750 3.570 3.555 3.603 . 0 0 "[ . 1 . 2]" 1
369 1 65 LEU HB3 1 66 MET H . . 3.600 3.573 3.321 3.722 0.122 13 0 "[ . 1 . 2]" 1
370 1 8 LEU H 1 9 ARG H . . 3.200 2.507 2.434 2.566 . 0 0 "[ . 1 . 2]" 1
371 1 8 LEU HB2 1 9 ARG H . . 3.890 3.984 3.948 4.011 0.121 12 0 "[ . 1 . 2]" 1
372 1 8 LEU HB3 1 9 ARG H . . 3.890 2.662 2.581 2.728 . 0 0 "[ . 1 . 2]" 1
373 1 9 ARG H 1 9 ARG HD2 . . 5.110 4.645 3.801 4.902 . 0 0 "[ . 1 . 2]" 1
374 1 9 ARG H 1 9 ARG HD3 . . 5.110 4.556 3.848 4.882 . 0 0 "[ . 1 . 2]" 1
375 1 48 ALA H 1 51 ASN H . . 5.140 4.800 4.635 4.909 . 0 0 "[ . 1 . 2]" 1
376 1 50 VAL H 1 51 ASN H . . 2.840 2.303 2.186 2.404 . 0 0 "[ . 1 . 2]" 1
377 1 50 VAL HB 1 51 ASN H . . 4.440 4.449 4.429 4.473 0.033 12 0 "[ . 1 . 2]" 1
378 1 51 ASN H 1 52 ILE HB . . 5.200 5.078 5.036 5.151 . 0 0 "[ . 1 . 2]" 1
379 1 48 ALA MB 1 51 ASN H . . 4.530 4.352 4.177 4.464 . 0 0 "[ . 1 . 2]" 1
380 1 50 VAL MG2 1 51 ASN H . . 3.220 3.136 3.067 3.189 . 0 0 "[ . 1 . 2]" 1
381 1 50 VAL MG1 1 51 ASN H . . 4.510 4.145 4.121 4.171 . 0 0 "[ . 1 . 2]" 1
382 1 51 ASN H 1 52 ILE MG . . 4.020 4.073 4.051 4.093 0.073 7 0 "[ . 1 . 2]" 1
383 1 101 THR H 1 102 LEU H . . 3.410 2.538 2.494 2.605 . 0 0 "[ . 1 . 2]" 1
384 1 100 ILE HB 1 101 THR H . . 3.390 2.645 2.525 2.726 . 0 0 "[ . 1 . 2]" 1
385 1 100 ILE HG12 1 101 THR H . . 4.390 4.363 4.318 4.438 0.048 11 0 "[ . 1 . 2]" 1
386 1 101 THR H 1 101 THR MG . . 3.900 3.761 3.747 3.783 . 0 0 "[ . 1 . 2]" 1
387 1 99 VAL MG1 1 101 THR H . . 5.210 5.040 4.994 5.110 . 0 0 "[ . 1 . 2]" 1
388 1 100 ILE H 1 101 THR H . . 3.650 2.642 2.599 2.742 . 0 0 "[ . 1 . 2]" 1
389 1 100 ILE MG 1 101 THR H . . 3.510 3.347 3.203 3.416 . 0 0 "[ . 1 . 2]" 1
390 1 108 VAL HA 1 112 TYR H . . 4.730 4.517 4.422 4.607 . 0 0 "[ . 1 . 2]" 1
391 1 109 VAL HA 1 112 TYR H . . 3.610 3.243 3.200 3.340 . 0 0 "[ . 1 . 2]" 1
392 1 112 TYR H 1 112 TYR HB2 . . 3.280 2.921 2.863 2.973 . 0 0 "[ . 1 . 2]" 1
393 1 112 TYR H 1 112 TYR HB3 . . 3.280 2.235 2.200 2.271 . 0 0 "[ . 1 . 2]" 1
394 1 109 VAL HB 1 112 TYR H . . 5.470 5.083 5.032 5.170 . 0 0 "[ . 1 . 2]" 1
395 1 111 LYS QB 1 112 TYR H . . 3.920 3.692 3.659 3.718 . 0 0 "[ . 1 . 2]" 1
396 1 111 LYS HG2 1 112 TYR H . . 4.390 2.843 2.721 2.955 . 0 0 "[ . 1 . 2]" 1
397 1 111 LYS HG3 1 112 TYR H . . 4.390 2.900 2.779 3.020 . 0 0 "[ . 1 . 2]" 1
398 1 12 LEU H 1 13 VAL H . . 3.310 2.747 2.687 2.793 . 0 0 "[ . 1 . 2]" 1
399 1 11 GLU H 1 12 LEU H . . 3.050 2.573 2.545 2.596 . 0 0 "[ . 1 . 2]" 1
400 1 8 LEU HA 1 12 LEU H . . 4.110 4.148 4.105 4.195 0.085 3 0 "[ . 1 . 2]" 1
401 1 12 LEU H 1 13 VAL HA . . 5.450 5.335 5.301 5.361 . 0 0 "[ . 1 . 2]" 1
402 1 11 GLU HB2 1 12 LEU H . . 3.960 3.935 2.814 4.012 0.052 3 0 "[ . 1 . 2]" 1
403 1 11 GLU HB3 1 12 LEU H . . 3.760 2.732 2.666 3.456 . 0 0 "[ . 1 . 2]" 1
404 1 12 LEU H 1 12 LEU HB2 . . 3.680 2.423 2.396 2.452 . 0 0 "[ . 1 . 2]" 1
405 1 12 LEU H 1 12 LEU HB3 . . 3.680 3.592 3.580 3.602 . 0 0 "[ . 1 . 2]" 1
406 1 12 LEU H 1 12 LEU HG . . 2.960 2.294 2.257 2.361 . 0 0 "[ . 1 . 2]" 1
407 1 12 LEU H 1 13 VAL MG1 . . 4.560 4.103 4.055 4.146 . 0 0 "[ . 1 . 2]" 1
408 1 12 LEU H 1 13 VAL MG2 . . 4.040 3.950 3.740 4.011 . 0 0 "[ . 1 . 2]" 1
409 1 12 LEU H 1 12 LEU MD1 . . 3.940 3.621 3.559 3.700 . 0 0 "[ . 1 . 2]" 1
410 1 12 LEU H 1 12 LEU MD2 . . 3.320 3.377 3.340 3.423 0.103 16 0 "[ . 1 . 2]" 1
411 1 67 LYS H 1 69 GLY H . . 4.660 4.032 3.949 4.082 . 0 0 "[ . 1 . 2]" 1
412 1 67 LYS H 1 68 HIS H . . 3.180 2.531 2.432 2.594 . 0 0 "[ . 1 . 2]" 1
413 1 64 TYR QD 1 67 LYS H . . 5.500 5.047 4.699 5.197 . 0 0 "[ . 1 . 2]" 1
414 1 66 MET HB2 1 67 LYS H . . 3.940 2.760 2.623 3.139 . 0 0 "[ . 1 . 2]" 1
415 1 66 MET HB3 1 67 LYS H . . 3.940 3.766 3.672 4.017 0.077 20 0 "[ . 1 . 2]" 1
416 1 67 LYS H 1 67 LYS HB3 . . 3.760 3.590 3.576 3.602 . 0 0 "[ . 1 . 2]" 1
417 1 67 LYS H 1 67 LYS HB2 . . 3.230 2.376 2.319 2.419 . 0 0 "[ . 1 . 2]" 1
418 1 67 LYS H 1 67 LYS HG2 . . 4.070 3.600 3.523 3.757 . 0 0 "[ . 1 . 2]" 1
419 1 67 LYS H 1 67 LYS HG3 . . 4.070 2.408 2.285 2.658 . 0 0 "[ . 1 . 2]" 1
420 1 67 LYS H 1 109 VAL MG1 . . 4.600 3.786 3.563 3.866 . 0 0 "[ . 1 . 2]" 1
421 1 67 LYS H 1 109 VAL MG2 . . 4.230 4.312 4.227 4.354 0.124 17 0 "[ . 1 . 2]" 1
422 1 61 VAL H 1 63 LEU H . . 4.230 4.111 4.059 4.154 . 0 0 "[ . 1 . 2]" 1
423 1 63 LEU H 1 65 LEU H . . 4.510 4.359 4.310 4.439 . 0 0 "[ . 1 . 2]" 1
424 1 62 ILE H 1 63 LEU H . . 3.190 2.618 2.591 2.664 . 0 0 "[ . 1 . 2]" 1
425 1 63 LEU H 1 64 TYR H . . 3.170 2.626 2.584 2.681 . 0 0 "[ . 1 . 2]" 1
426 1 60 HIS HA 1 63 LEU H . . 3.780 3.607 3.532 3.676 . 0 0 "[ . 1 . 2]" 1
427 1 63 LEU H 1 64 TYR HA . . 5.500 5.216 5.183 5.246 . 0 0 "[ . 1 . 2]" 1
428 1 63 LEU H 1 64 TYR QB . . 4.860 4.392 4.328 4.514 . 0 0 "[ . 1 . 2]" 1
429 1 61 VAL HB 1 63 LEU H . . 5.050 5.152 5.125 5.183 0.133 17 0 "[ . 1 . 2]" 1
430 1 62 ILE HB 1 63 LEU H . . 3.300 2.816 2.739 2.876 . 0 0 "[ . 1 . 2]" 1
431 1 63 LEU H 1 63 LEU HB2 . . 2.750 2.231 2.212 2.249 . 0 0 "[ . 1 . 2]" 1
432 1 62 ILE MG 1 63 LEU H . . 3.450 3.314 3.265 3.348 . 0 0 "[ . 1 . 2]" 1
433 1 63 LEU H 1 63 LEU MD1 . . 4.440 2.287 2.240 2.326 . 0 0 "[ . 1 . 2]" 1
434 1 63 LEU H 1 63 LEU MD2 . . 4.440 4.143 4.104 4.165 . 0 0 "[ . 1 . 2]" 1
435 1 47 TYR QD 1 49 ASP H . . 5.500 5.554 5.520 5.590 0.090 10 0 "[ . 1 . 2]" 1
436 1 48 ALA HA 1 49 ASP H . . 3.550 3.487 3.480 3.495 . 0 0 "[ . 1 . 2]" 1
437 1 46 THR MG 1 49 ASP H . . 3.600 2.551 2.425 2.639 . 0 0 "[ . 1 . 2]" 1
438 1 49 ASP H 1 50 VAL MG2 . . 3.910 3.637 3.581 3.693 . 0 0 "[ . 1 . 2]" 1
439 1 40 ILE MD 1 49 ASP H . . 5.060 4.455 4.293 4.781 . 0 0 "[ . 1 . 2]" 1
440 1 96 LYS HB2 1 97 TYR H . . 4.400 3.515 2.455 3.954 . 0 0 "[ . 1 . 2]" 1
441 1 51 ASN H 1 52 ILE H . . 3.040 2.917 2.846 2.966 . 0 0 "[ . 1 . 2]" 1
442 1 50 VAL H 1 52 ILE H . . 4.270 3.913 3.690 4.047 . 0 0 "[ . 1 . 2]" 1
443 1 47 TYR HB3 1 52 ILE H . . 4.360 3.338 3.211 3.475 . 0 0 "[ . 1 . 2]" 1
444 1 50 VAL HB 1 52 ILE H . . 4.960 4.899 4.498 5.031 0.071 5 0 "[ . 1 . 2]" 1
445 1 50 VAL MG2 1 52 ILE H . . 3.130 2.630 2.296 2.749 . 0 0 "[ . 1 . 2]" 1
446 1 40 ILE MD 1 52 ILE H . . 5.500 5.403 5.214 5.532 0.032 9 0 "[ . 1 . 2]" 1
447 1 48 ALA H 1 52 ILE H . . 5.040 5.081 5.036 5.149 0.109 10 0 "[ . 1 . 2]" 1
448 1 47 TYR QD 1 52 ILE H . . 4.990 4.633 4.579 4.703 . 0 0 "[ . 1 . 2]" 1
449 1 48 ALA HA 1 52 ILE H . . 3.710 3.748 3.667 3.832 0.122 16 0 "[ . 1 . 2]" 1
450 1 52 ILE H 1 52 ILE HB . . 3.350 2.973 2.789 3.047 . 0 0 "[ . 1 . 2]" 1
451 1 52 ILE H 1 52 ILE MG . . 2.810 2.039 1.938 2.109 . 0 0 "[ . 1 . 2]" 1
452 1 108 VAL MG1 1 112 TYR H . . 4.590 4.532 4.473 4.596 0.006 8 0 "[ . 1 . 2]" 1
453 1 110 LYS HG2 1 112 TYR H . . 4.900 4.609 4.560 4.647 . 0 0 "[ . 1 . 2]" 1
454 1 17 SER H 1 70 VAL H . . 5.500 4.851 4.779 5.084 . 0 0 "[ . 1 . 2]" 1
455 1 16 ASP H 1 17 SER H . . 4.810 4.680 4.670 4.694 . 0 0 "[ . 1 . 2]" 1
456 1 26 GLU QB 1 28 ILE H . . 4.850 4.528 4.457 4.620 . 0 0 "[ . 1 . 2]" 1
457 1 47 TYR H 1 49 ASP H . . 4.120 4.212 4.162 4.234 0.114 4 0 "[ . 1 . 2]" 1
458 1 48 ALA H 1 49 ASP H . . 3.240 2.606 2.564 2.651 . 0 0 "[ . 1 . 2]" 1
459 1 49 ASP H 1 50 VAL H . . 3.140 2.316 2.290 2.340 . 0 0 "[ . 1 . 2]" 1
460 1 49 ASP H 1 49 ASP HB2 . . 3.160 2.498 2.445 2.538 . 0 0 "[ . 1 . 2]" 1
461 1 49 ASP H 1 49 ASP HB3 . . 3.230 2.545 2.521 2.585 . 0 0 "[ . 1 . 2]" 1
462 1 48 ALA MB 1 49 ASP H . . 3.040 3.032 3.003 3.044 0.004 20 0 "[ . 1 . 2]" 1
463 1 97 TYR H 1 97 TYR QD . . 4.080 4.119 4.090 4.140 0.060 11 0 "[ . 1 . 2]" 1
464 1 97 TYR H 1 97 TYR HB2 . . 3.470 2.696 2.337 2.808 . 0 0 "[ . 1 . 2]" 1
465 1 97 TYR H 1 97 TYR HB3 . . 3.470 2.344 2.267 2.620 . 0 0 "[ . 1 . 2]" 1
466 1 96 LYS HB3 1 97 TYR H . . 4.400 2.674 2.291 3.640 . 0 0 "[ . 1 . 2]" 1
467 1 59 TRP H 1 62 ILE H . . 4.750 4.768 4.664 4.816 0.066 11 0 "[ . 1 . 2]" 1
468 1 59 TRP H 1 61 VAL H . . 4.280 3.927 3.878 4.006 . 0 0 "[ . 1 . 2]" 1
469 1 57 GLY H 1 59 TRP H . . 4.370 4.067 3.998 4.161 . 0 0 "[ . 1 . 2]" 1
470 1 59 TRP H 1 60 HIS H . . 3.350 2.732 2.677 2.801 . 0 0 "[ . 1 . 2]" 1
471 1 59 TRP H 1 59 TRP HE3 . . 4.930 4.835 4.785 4.886 . 0 0 "[ . 1 . 2]" 1
472 1 59 TRP H 1 60 HIS HD2 . . 4.970 4.768 4.702 4.833 . 0 0 "[ . 1 . 2]" 1
473 1 59 TRP H 1 59 TRP HD1 . . 4.960 4.880 4.849 4.918 . 0 0 "[ . 1 . 2]" 1
474 1 56 ARG HA 1 59 TRP H . . 3.700 3.479 3.418 3.547 . 0 0 "[ . 1 . 2]" 1
475 1 59 TRP H 1 59 TRP HB2 . . 3.050 2.597 2.548 2.644 . 0 0 "[ . 1 . 2]" 1
476 1 59 TRP H 1 59 TRP HB3 . . 3.200 2.435 2.406 2.464 . 0 0 "[ . 1 . 2]" 1
477 1 58 ASP HB2 1 59 TRP H . . 4.150 3.258 2.890 3.979 . 0 0 "[ . 1 . 2]" 1
478 1 57 GLY HA3 1 59 TRP H . . 4.770 4.537 4.463 4.630 . 0 0 "[ . 1 . 2]" 1
479 1 58 ASP HB3 1 59 TRP H . . 4.150 3.597 2.746 3.875 . 0 0 "[ . 1 . 2]" 1
480 1 59 TRP H 1 61 VAL HB . . 5.010 4.965 4.896 5.038 0.028 12 0 "[ . 1 . 2]" 1
481 1 56 ARG HG3 1 59 TRP H . . 5.260 5.309 5.263 5.371 0.111 11 0 "[ . 1 . 2]" 1
482 1 59 TRP H 1 101 THR MG . . 4.160 4.118 3.970 4.248 0.088 11 0 "[ . 1 . 2]" 1
483 1 59 TRP H 1 61 VAL MG2 . . 5.280 5.062 4.966 5.177 . 0 0 "[ . 1 . 2]" 1
484 1 59 TRP H 1 62 ILE MD . . 5.500 4.855 4.626 5.022 . 0 0 "[ . 1 . 2]" 1
485 1 79 LEU H 1 79 LEU HB2 . . 3.760 2.469 2.392 2.523 . 0 0 "[ . 1 . 2]" 1
486 1 79 LEU H 1 79 LEU HG . . 3.530 2.688 2.590 2.770 . 0 0 "[ . 1 . 2]" 1
487 1 79 LEU H 1 79 LEU HB3 . . 3.760 3.679 3.633 3.713 . 0 0 "[ . 1 . 2]" 1
488 1 79 LEU H 1 79 LEU MD2 . . 4.520 3.537 3.418 3.671 . 0 0 "[ . 1 . 2]" 1
489 1 77 LEU MD1 1 79 LEU H . . 5.500 5.222 5.172 5.274 . 0 0 "[ . 1 . 2]" 1
490 1 77 LEU MD2 1 79 LEU H . . 5.500 5.797 5.768 5.831 0.331 13 0 "[ . 1 . 2]" 1
491 1 77 LEU H 1 79 LEU H . . 4.750 4.078 4.008 4.133 . 0 0 "[ . 1 . 2]" 1
492 1 78 GLU HB3 1 79 LEU H . . 3.320 3.163 3.124 3.264 . 0 0 "[ . 1 . 2]" 1
493 1 26 GLU H 1 27 GLU H . . 3.080 2.518 2.459 2.607 . 0 0 "[ . 1 . 2]" 1
494 1 24 ILE H 1 26 GLU H . . 4.250 4.168 4.118 4.246 . 0 0 "[ . 1 . 2]" 1
495 1 23 LYS H 1 26 GLU H . . 5.330 5.167 5.099 5.263 . 0 0 "[ . 1 . 2]" 1
496 1 24 ILE HA 1 26 GLU H . . 3.970 4.030 3.984 4.074 0.104 3 0 "[ . 1 . 2]" 1
497 1 23 LYS QE 1 26 GLU H . . 5.060 5.105 5.013 5.150 0.090 18 0 "[ . 1 . 2]" 1
498 1 26 GLU H 1 26 GLU HG2 . . 4.060 2.331 2.068 3.221 . 0 0 "[ . 1 . 2]" 1
499 1 25 LYS HB2 1 26 GLU H . . 3.100 3.069 2.783 3.133 0.033 20 0 "[ . 1 . 2]" 1
500 1 43 GLU H 1 45 LYS H . . 4.750 3.537 3.438 3.662 . 0 0 "[ . 1 . 2]" 1
501 1 40 ILE MG 1 45 LYS H . . 4.280 4.292 4.121 4.414 0.134 7 0 "[ . 1 . 2]" 1
502 1 40 ILE MD 1 45 LYS H . . 4.350 4.277 4.047 4.379 0.029 16 0 "[ . 1 . 2]" 1
503 1 44 ASN HB2 1 45 LYS H . . 4.520 4.193 3.984 4.581 0.061 14 0 "[ . 1 . 2]" 1
504 1 45 LYS H 1 45 LYS HE2 . . 5.180 4.078 3.925 4.244 . 0 0 "[ . 1 . 2]" 1
505 1 45 LYS H 1 45 LYS HE3 . . 5.180 3.879 3.507 4.147 . 0 0 "[ . 1 . 2]" 1
506 1 45 LYS H 1 45 LYS HG3 . . 3.050 3.033 2.943 3.145 0.095 13 0 "[ . 1 . 2]" 1
507 1 7 GLU H 1 9 ARG H . . 4.420 4.027 3.858 4.168 . 0 0 "[ . 1 . 2]" 1
508 1 6 GLU H 1 7 GLU H . . 3.360 2.439 2.374 2.512 . 0 0 "[ . 1 . 2]" 1
509 1 7 GLU H 1 8 LEU H . . 3.190 2.509 2.470 2.586 . 0 0 "[ . 1 . 2]" 1
510 1 4 GLU HA 1 7 GLU H . . 4.150 3.434 3.237 3.721 . 0 0 "[ . 1 . 2]" 1
511 1 7 GLU H 1 8 LEU HB2 . . 5.500 4.970 4.908 5.029 . 0 0 "[ . 1 . 2]" 1
512 1 7 GLU H 1 8 LEU HB3 . . 5.500 4.580 4.521 4.682 . 0 0 "[ . 1 . 2]" 1
513 1 44 ASN H 1 45 LYS H . . 3.370 2.844 2.799 2.953 . 0 0 "[ . 1 . 2]" 1
514 1 44 ASN HB3 1 45 LYS H . . 4.520 4.436 4.060 4.644 0.124 13 0 "[ . 1 . 2]" 1
515 1 45 LYS H 1 45 LYS HB3 . . 3.450 2.683 2.617 2.737 . 0 0 "[ . 1 . 2]" 1
516 1 22 GLU H 1 25 LYS H . . 5.440 5.210 5.102 5.273 . 0 0 "[ . 1 . 2]" 1
517 1 25 LYS H 1 27 GLU H . . 5.480 4.444 4.339 4.566 . 0 0 "[ . 1 . 2]" 1
518 1 25 LYS H 1 28 ILE H . . 5.500 4.752 4.691 4.832 . 0 0 "[ . 1 . 2]" 1
519 1 24 ILE H 1 25 LYS H . . 3.100 2.746 2.654 2.802 . 0 0 "[ . 1 . 2]" 1
520 1 25 LYS H 1 26 GLU H . . 3.140 2.725 2.690 2.811 . 0 0 "[ . 1 . 2]" 1
521 1 23 LYS H 1 25 LYS H . . 4.360 4.155 4.053 4.213 . 0 0 "[ . 1 . 2]" 1
522 1 22 GLU HA 1 25 LYS H . . 4.110 3.964 3.638 4.060 . 0 0 "[ . 1 . 2]" 1
523 1 25 LYS H 1 25 LYS QE . . 4.670 4.620 4.363 4.697 0.027 8 0 "[ . 1 . 2]" 1
524 1 24 ILE HB 1 25 LYS H . . 3.920 2.614 2.552 2.711 . 0 0 "[ . 1 . 2]" 1
525 1 99 VAL H 1 99 VAL HB . . 2.750 2.327 2.303 2.349 . 0 0 "[ . 1 . 2]" 1
526 1 25 LYS H 1 28 ILE HG13 . . 4.750 4.806 4.711 4.856 0.106 7 0 "[ . 1 . 2]" 1
527 1 25 LYS H 1 79 LEU MD1 . . 4.630 4.125 3.754 4.638 0.008 6 0 "[ . 1 . 2]" 1
528 1 41 ILE H 1 42 CYS HA . . 5.060 5.064 4.933 5.141 0.081 17 0 "[ . 1 . 2]" 1
529 1 74 ASP HA 1 77 LEU H . . 4.070 3.497 3.459 3.533 . 0 0 "[ . 1 . 2]" 1
530 1 77 LEU H 1 78 GLU HB3 . . 4.810 4.811 4.769 4.860 0.050 19 0 "[ . 1 . 2]" 1
531 1 76 ILE HB 1 77 LEU H . . 3.250 2.620 2.513 2.721 . 0 0 "[ . 1 . 2]" 1
532 1 77 LEU H 1 77 LEU MD1 . . 4.360 4.174 4.140 4.203 . 0 0 "[ . 1 . 2]" 1
533 1 76 ILE H 1 77 LEU H . . 3.720 2.650 2.591 2.683 . 0 0 "[ . 1 . 2]" 1
534 1 77 LEU H 1 78 GLU H . . 3.100 2.647 2.608 2.692 . 0 0 "[ . 1 . 2]" 1
535 1 77 LEU H 1 77 LEU HG . . 4.230 4.280 4.254 4.305 0.075 2 0 "[ . 1 . 2]" 1
536 1 76 ILE MG 1 77 LEU H . . 3.390 3.242 3.131 3.396 0.006 11 0 "[ . 1 . 2]" 1
537 1 43 GLU H 1 43 GLU HG2 . . 4.340 3.186 2.309 3.938 . 0 0 "[ . 1 . 2]" 1
538 1 40 ILE MG 1 43 GLU H . . 5.500 5.103 4.876 5.470 . 0 0 "[ . 1 . 2]" 1
539 1 41 ILE H 1 42 CYS H . . 2.980 2.414 2.250 2.512 . 0 0 "[ . 1 . 2]" 1
540 1 40 ILE H 1 42 CYS H . . 3.950 3.919 3.531 4.031 0.081 1 0 "[ . 1 . 2]" 1
541 1 42 CYS H 1 44 ASN H . . 3.940 3.833 3.570 3.966 0.026 8 0 "[ . 1 . 2]" 1
542 1 40 ILE HA 1 42 CYS H . . 4.590 4.666 4.577 4.750 0.160 15 0 "[ . 1 . 2]" 1
543 1 42 CYS H 1 42 CYS HB2 . . 3.470 2.588 2.454 2.739 . 0 0 "[ . 1 . 2]" 1
544 1 42 CYS H 1 42 CYS HB3 . . 3.470 2.946 2.508 3.662 0.192 9 0 "[ . 1 . 2]" 1
545 1 25 LYS QE 1 42 CYS H . . 5.280 5.143 4.881 5.403 0.123 8 0 "[ . 1 . 2]" 1
546 1 41 ILE HB 1 42 CYS H . . 3.740 3.115 2.944 3.312 . 0 0 "[ . 1 . 2]" 1
547 1 40 ILE HB 1 42 CYS H . . 4.930 4.932 4.868 4.976 0.046 7 0 "[ . 1 . 2]" 1
548 1 41 ILE MG 1 42 CYS H . . 3.780 3.566 3.492 3.618 . 0 0 "[ . 1 . 2]" 1
549 1 76 ILE H 1 78 GLU H . . 4.540 4.112 4.046 4.168 . 0 0 "[ . 1 . 2]" 1
550 1 78 GLU H 1 79 LEU HA . . 5.410 5.238 5.206 5.260 . 0 0 "[ . 1 . 2]" 1
551 1 78 GLU H 1 79 LEU H . . 3.000 2.600 2.546 2.633 . 0 0 "[ . 1 . 2]" 1
552 1 74 ASP HA 1 78 GLU H . . 4.460 4.016 3.959 4.063 . 0 0 "[ . 1 . 2]" 1
553 1 78 GLU H 1 78 GLU HB2 . . 2.840 2.507 2.475 2.536 . 0 0 "[ . 1 . 2]" 1
554 1 78 GLU H 1 78 GLU HB3 . . 2.890 2.396 2.378 2.456 . 0 0 "[ . 1 . 2]" 1
555 1 77 LEU HG 1 78 GLU H . . 4.530 3.526 3.434 3.622 . 0 0 "[ . 1 . 2]" 1
556 1 109 VAL H 1 111 LYS H . . 4.380 4.195 4.166 4.226 . 0 0 "[ . 1 . 2]" 1
557 1 111 LYS H 1 112 TYR H . . 3.020 2.412 2.388 2.442 . 0 0 "[ . 1 . 2]" 1
558 1 108 VAL HA 1 111 LYS H . . 4.130 3.855 3.806 3.903 . 0 0 "[ . 1 . 2]" 1
559 1 109 VAL HA 1 111 LYS H . . 4.280 4.325 4.285 4.403 0.123 19 0 "[ . 1 . 2]" 1
560 1 111 LYS H 1 111 LYS QB . . 2.640 2.507 2.469 2.542 . 0 0 "[ . 1 . 2]" 1
561 1 108 VAL MG1 1 111 LYS H . . 4.950 4.977 4.956 4.998 0.048 8 0 "[ . 1 . 2]" 1
562 1 110 LYS HG3 1 111 LYS H . . 3.590 2.780 2.718 2.824 . 0 0 "[ . 1 . 2]" 1
563 1 110 LYS HG2 1 111 LYS H . . 3.060 2.344 2.272 2.367 . 0 0 "[ . 1 . 2]" 1
564 1 41 ILE H 1 44 ASN H . . 4.820 4.785 4.392 4.933 0.113 17 0 "[ . 1 . 2]" 1
565 1 41 ILE H 1 41 ILE HB . . 3.050 2.296 2.249 2.345 . 0 0 "[ . 1 . 2]" 1
566 1 40 ILE HB 1 41 ILE H . . 3.190 2.658 2.582 2.819 . 0 0 "[ . 1 . 2]" 1
567 1 40 ILE MG 1 41 ILE H . . 3.640 3.285 3.153 3.442 . 0 0 "[ . 1 . 2]" 1
568 1 41 ILE H 1 41 ILE MD . . 4.070 3.685 3.476 3.883 . 0 0 "[ . 1 . 2]" 1
569 1 28 ILE MG 1 41 ILE H . . 5.280 4.404 3.956 4.860 . 0 0 "[ . 1 . 2]" 1
570 1 37 ILE MD 1 41 ILE H . . 4.020 4.023 3.736 4.158 0.138 10 0 "[ . 1 . 2]" 1
571 1 41 ILE H 1 41 ILE MG . . 4.220 3.714 3.675 3.744 . 0 0 "[ . 1 . 2]" 1
572 1 40 ILE H 1 41 ILE H . . 3.320 2.556 2.304 2.661 . 0 0 "[ . 1 . 2]" 1
573 1 40 ILE H 1 40 ILE HB . . 2.960 2.365 2.306 2.475 . 0 0 "[ . 1 . 2]" 1
574 1 40 ILE H 1 40 ILE HG13 . . 4.290 3.709 3.524 4.034 . 0 0 "[ . 1 . 2]" 1
575 1 40 ILE H 1 41 ILE HB . . 4.630 4.657 4.369 4.777 0.147 15 0 "[ . 1 . 2]" 1
576 1 37 ILE MD 1 40 ILE H . . 4.840 4.381 4.112 4.836 . 0 0 "[ . 1 . 2]" 1
577 1 9 ARG H 1 10 LYS H . . 3.280 2.761 2.737 2.785 . 0 0 "[ . 1 . 2]" 1
578 1 10 LYS H 1 12 LEU H . . 4.550 4.259 4.167 4.346 . 0 0 "[ . 1 . 2]" 1
579 1 8 LEU H 1 10 LYS H . . 4.520 4.193 4.103 4.268 . 0 0 "[ . 1 . 2]" 1
580 1 8 LEU HA 1 10 LYS H . . 4.620 4.454 4.382 4.578 . 0 0 "[ . 1 . 2]" 1
581 1 7 GLU HA 1 10 LYS H . . 3.890 3.601 3.504 3.671 . 0 0 "[ . 1 . 2]" 1
582 1 10 LYS H 1 10 LYS QE . . 4.410 3.538 3.254 4.377 . 0 0 "[ . 1 . 2]" 1
583 1 10 LYS H 1 10 LYS HB3 . . 2.890 2.603 2.538 2.674 . 0 0 "[ . 1 . 2]" 1
584 1 10 LYS H 1 10 LYS HG2 . . 3.400 2.030 1.959 2.105 . 0 0 "[ . 1 . 2]" 1
585 1 10 LYS H 1 10 LYS HG3 . . 3.400 3.244 3.067 3.310 . 0 0 "[ . 1 . 2]" 1
586 1 46 THR HA 1 82 ARG H . . 3.380 3.401 2.956 3.475 0.095 2 0 "[ . 1 . 2]" 1
587 1 46 THR MG 1 82 ARG H . . 4.930 4.431 4.255 4.558 . 0 0 "[ . 1 . 2]" 1
588 1 47 TYR H 1 82 ARG H . . 5.080 4.597 4.281 4.693 . 0 0 "[ . 1 . 2]" 1
589 1 82 ARG H 1 83 ASP H . . 3.520 2.679 2.584 2.770 . 0 0 "[ . 1 . 2]" 1
590 1 81 PRO HB2 1 82 ARG H . . 3.490 2.429 2.246 2.484 . 0 0 "[ . 1 . 2]" 1
591 1 72 ASP HA 1 74 ASP H . . 4.410 3.941 3.921 3.961 . 0 0 "[ . 1 . 2]" 1
592 1 73 PRO HG2 1 74 ASP H . . 4.290 2.886 2.801 4.080 . 0 0 "[ . 1 . 2]" 1
593 1 74 ASP H 1 75 LYS QD . . 5.500 5.585 5.568 5.665 0.165 2 0 "[ . 1 . 2]" 1
594 1 73 PRO HG3 1 74 ASP H . . 4.290 4.333 4.305 4.625 0.335 2 0 "[ . 1 . 2]" 1
595 1 74 ASP H 1 75 LYS HG3 . . 5.170 4.058 4.002 4.198 . 0 0 "[ . 1 . 2]" 1
596 1 13 VAL H 1 15 ARG H . . 4.360 4.086 4.042 4.148 . 0 0 "[ . 1 . 2]" 1
597 1 15 ARG H 1 16 ASP H . . 3.150 2.261 2.150 2.343 . 0 0 "[ . 1 . 2]" 1
598 1 14 LYS HA 1 15 ARG H . . 3.560 3.498 3.476 3.519 . 0 0 "[ . 1 . 2]" 1
599 1 12 LEU HA 1 15 ARG H . . 3.690 3.336 3.242 3.424 . 0 0 "[ . 1 . 2]" 1
600 1 15 ARG H 1 15 ARG HB3 . . 3.610 3.639 3.589 3.692 0.082 18 0 "[ . 1 . 2]" 1
601 1 14 LYS QB 1 15 ARG H . . 3.120 2.967 2.896 3.068 . 0 0 "[ . 1 . 2]" 1
602 1 15 ARG H 1 15 ARG QG . . 3.400 2.738 2.534 2.908 . 0 0 "[ . 1 . 2]" 1
603 1 15 ARG H 1 15 ARG HB2 . . 3.130 2.393 2.323 2.472 . 0 0 "[ . 1 . 2]" 1
604 1 12 LEU MD2 1 15 ARG H . . 5.040 4.775 4.671 4.875 . 0 0 "[ . 1 . 2]" 1
605 1 82 ARG H 1 84 SER H . . 4.840 4.273 4.182 4.375 . 0 0 "[ . 1 . 2]" 1
606 1 12 LEU H 1 15 ARG H . . 5.130 4.822 4.767 4.872 . 0 0 "[ . 1 . 2]" 1
607 1 13 VAL HA 1 15 ARG H . . 4.550 3.964 3.883 4.075 . 0 0 "[ . 1 . 2]" 1
608 1 14 LYS QE 1 15 ARG H . . 5.500 5.355 4.284 5.547 0.047 17 0 "[ . 1 . 2]" 1
609 1 29 CYS H 1 31 LYS H . . 4.350 4.141 3.902 4.300 . 0 0 "[ . 1 . 2]" 1
610 1 29 CYS H 1 30 THR HA . . 5.450 5.139 5.040 5.215 . 0 0 "[ . 1 . 2]" 1
611 1 26 GLU QB 1 29 CYS H . . 5.000 4.857 4.733 4.986 . 0 0 "[ . 1 . 2]" 1
612 1 28 ILE H 1 29 CYS H . . 3.290 2.608 2.523 2.761 . 0 0 "[ . 1 . 2]" 1
613 1 26 GLU H 1 29 CYS H . . 5.330 4.775 4.697 4.851 . 0 0 "[ . 1 . 2]" 1
614 1 29 CYS H 1 29 CYS HB2 . . 3.690 2.376 2.304 2.465 . 0 0 "[ . 1 . 2]" 1
615 1 29 CYS H 1 29 CYS HB3 . . 3.690 3.385 2.558 3.642 . 0 0 "[ . 1 . 2]" 1
616 1 27 GLU HB3 1 29 CYS H . . 5.500 5.554 5.482 5.626 0.126 20 0 "[ . 1 . 2]" 1
617 1 28 ILE HB 1 29 CYS H . . 3.280 2.790 2.710 2.853 . 0 0 "[ . 1 . 2]" 1
618 1 28 ILE HG13 1 29 CYS H . . 4.970 5.020 4.963 5.067 0.097 11 0 "[ . 1 . 2]" 1
619 1 28 ILE MG 1 29 CYS H . . 3.580 3.362 3.201 3.522 . 0 0 "[ . 1 . 2]" 1
620 1 29 CYS H 1 41 ILE MG . . 5.500 4.906 4.764 5.073 . 0 0 "[ . 1 . 2]" 1
621 1 83 ASP H 1 84 SER H . . 3.160 2.757 2.463 2.895 . 0 0 "[ . 1 . 2]" 1
622 1 47 TYR H 1 83 ASP H . . 4.280 3.322 3.224 3.485 . 0 0 "[ . 1 . 2]" 1
623 1 48 ALA H 1 83 ASP H . . 4.920 4.972 4.870 5.065 0.145 14 0 "[ . 1 . 2]" 1
624 1 47 TYR QD 1 83 ASP H . . 4.760 4.319 4.110 4.457 . 0 0 "[ . 1 . 2]" 1
625 1 46 THR HA 1 83 ASP H . . 4.180 3.839 3.768 4.087 . 0 0 "[ . 1 . 2]" 1
626 1 83 ASP H 1 83 ASP HB2 . . 3.740 2.534 2.350 3.733 . 0 0 "[ . 1 . 2]" 1
627 1 83 ASP H 1 83 ASP HB3 . . 3.740 3.500 2.591 3.630 . 0 0 "[ . 1 . 2]" 1
628 1 81 PRO HB2 1 83 ASP H . . 3.750 2.650 2.534 2.801 . 0 0 "[ . 1 . 2]" 1
629 1 82 ARG QG 1 83 ASP H . . 4.020 3.799 3.513 4.107 0.087 19 0 "[ . 1 . 2]" 1
630 1 46 THR MG 1 83 ASP H . . 4.120 3.906 3.802 4.054 . 0 0 "[ . 1 . 2]" 1
631 1 60 HIS H 1 62 ILE H . . 4.550 4.323 4.283 4.349 . 0 0 "[ . 1 . 2]" 1
632 1 57 GLY H 1 60 HIS H . . 5.330 5.106 5.055 5.159 . 0 0 "[ . 1 . 2]" 1
633 1 58 ASP HA 1 60 HIS H . . 5.130 4.819 4.714 4.873 . 0 0 "[ . 1 . 2]" 1
634 1 60 HIS H 1 61 VAL HA . . 5.500 5.274 5.264 5.304 . 0 0 "[ . 1 . 2]" 1
635 1 59 TRP HB3 1 60 HIS H . . 3.060 2.386 2.354 2.422 . 0 0 "[ . 1 . 2]" 1
636 1 60 HIS H 1 60 HIS HB2 . . 3.040 2.441 2.415 2.461 . 0 0 "[ . 1 . 2]" 1
637 1 60 HIS H 1 60 HIS HB3 . . 3.740 3.577 3.567 3.585 . 0 0 "[ . 1 . 2]" 1
638 1 60 HIS H 1 61 VAL HB . . 4.910 4.732 4.686 4.815 . 0 0 "[ . 1 . 2]" 1
639 1 60 HIS H 1 63 LEU HB2 . . 5.550 5.223 5.157 5.260 . 0 0 "[ . 1 . 2]" 1
640 1 60 HIS H 1 61 VAL MG2 . . 4.550 4.197 4.130 4.267 . 0 0 "[ . 1 . 2]" 1
641 1 60 HIS H 1 63 LEU MD1 . . 5.500 4.421 4.370 4.446 . 0 0 "[ . 1 . 2]" 1
642 1 43 GLU H 1 44 ASN H . . 3.680 1.922 1.829 2.179 . 0 0 "[ . 1 . 2]" 1
643 1 40 ILE HA 1 44 ASN H . . 4.630 4.560 4.301 4.682 0.052 5 0 "[ . 1 . 2]" 1
644 1 44 ASN H 1 45 LYS HG2 . . 4.880 4.139 4.059 4.246 . 0 0 "[ . 1 . 2]" 1
645 1 40 ILE MG 1 44 ASN H . . 4.990 4.865 4.736 5.025 0.035 7 0 "[ . 1 . 2]" 1
646 1 103 SER H 1 105 ALA H . . 4.340 3.981 3.925 4.016 . 0 0 "[ . 1 . 2]" 1
647 1 102 LEU H 1 103 SER H . . 3.340 2.631 2.605 2.664 . 0 0 "[ . 1 . 2]" 1
648 1 103 SER H 1 104 LYS H . . 3.340 2.651 2.598 2.698 . 0 0 "[ . 1 . 2]" 1
649 1 100 ILE HA 1 103 SER H . . 5.500 3.732 3.557 3.820 . 0 0 "[ . 1 . 2]" 1
650 1 99 VAL HA 1 103 SER H . . 4.010 3.545 3.478 3.674 . 0 0 "[ . 1 . 2]" 1
651 1 103 SER H 1 104 LYS HB2 . . 5.500 4.795 4.740 4.869 . 0 0 "[ . 1 . 2]" 1
652 1 103 SER H 1 105 ALA MB . . 4.790 4.657 4.536 4.715 . 0 0 "[ . 1 . 2]" 1
653 1 102 LEU QD 1 103 SER H . . 3.940 3.852 3.806 3.941 0.001 15 0 "[ . 1 . 2]" 1
654 1 102 LEU HG 1 103 SER H . . 3.990 3.629 3.574 3.713 . 0 0 "[ . 1 . 2]" 1
655 1 85 LYS H 1 87 LYS H . . 4.670 4.172 4.035 4.309 . 0 0 "[ . 1 . 2]" 1
656 1 87 LYS H 1 88 GLU H . . 3.160 1.794 1.750 1.876 . 0 0 "[ . 1 . 2]" 1
657 1 87 LYS H 1 87 LYS HB2 . . 3.620 2.740 2.600 2.805 . 0 0 "[ . 1 . 2]" 1
658 1 87 LYS H 1 87 LYS HB3 . . 3.860 3.847 3.753 3.890 0.030 15 0 "[ . 1 . 2]" 1
659 1 86 ALA MB 1 87 LYS H . . 3.810 3.478 3.369 3.540 . 0 0 "[ . 1 . 2]" 1
660 1 84 SER H 1 88 GLU H . . 4.680 4.763 4.644 4.859 0.179 20 0 "[ . 1 . 2]" 1
661 1 17 SER H 1 18 GLY H . . 3.710 2.484 2.410 2.530 . 0 0 "[ . 1 . 2]" 1
662 1 18 GLY H 1 72 ASP H . . 5.500 4.967 4.815 5.215 . 0 0 "[ . 1 . 2]" 1
663 1 18 GLY H 1 75 LYS QD . . 5.460 3.835 3.663 4.169 . 0 0 "[ . 1 . 2]" 1
664 1 106 TRP H 1 107 SER H . . 3.040 2.588 2.575 2.607 . 0 0 "[ . 1 . 2]" 1
665 1 107 SER H 1 109 VAL H . . 4.500 4.273 4.256 4.290 . 0 0 "[ . 1 . 2]" 1
666 1 107 SER H 1 108 VAL H . . 3.090 2.640 2.627 2.654 . 0 0 "[ . 1 . 2]" 1
667 1 104 LYS HA 1 107 SER H . . 3.340 3.228 3.183 3.258 . 0 0 "[ . 1 . 2]" 1
668 1 107 SER H 1 107 SER HA . . 2.940 2.859 2.853 2.869 . 0 0 "[ . 1 . 2]" 1
669 1 106 TRP HB2 1 107 SER H . . 3.970 4.075 4.065 4.098 0.128 4 0 "[ . 1 . 2]" 1
670 1 107 SER H 1 108 VAL HB . . 4.720 4.743 4.722 4.762 0.042 19 0 "[ . 1 . 2]" 1
671 1 66 MET ME 1 107 SER H . . 4.660 4.666 4.415 4.751 0.091 18 0 "[ . 1 . 2]" 1
672 1 104 LYS HG2 1 107 SER H . . 5.480 5.575 5.358 5.633 0.153 11 0 "[ . 1 . 2]" 1
673 1 107 SER H 1 110 LYS QD . . 4.000 4.078 4.032 4.120 0.120 19 0 "[ . 1 . 2]" 1
674 1 107 SER H 1 109 VAL MG2 . . 4.360 4.390 4.375 4.408 0.048 13 0 "[ . 1 . 2]" 1
675 1 107 SER H 1 110 LYS HG2 . . 4.620 4.613 4.592 4.648 0.028 19 0 "[ . 1 . 2]" 1
676 1 47 TYR H 1 84 SER H . . 5.500 5.139 4.967 5.346 . 0 0 "[ . 1 . 2]" 1
677 1 84 SER H 1 85 LYS H . . 4.590 4.645 4.613 4.661 0.071 14 0 "[ . 1 . 2]" 1
678 1 84 SER H 1 87 LYS H . . 5.080 4.805 4.657 4.968 . 0 0 "[ . 1 . 2]" 1
679 1 83 ASP HA 1 84 SER H . . 3.300 3.184 3.061 3.256 . 0 0 "[ . 1 . 2]" 1
680 1 82 ARG HA 1 84 SER H . . 4.720 3.738 3.630 3.945 . 0 0 "[ . 1 . 2]" 1
681 1 16 ASP H 1 18 GLY H . . 5.410 5.265 5.126 5.392 . 0 0 "[ . 1 . 2]" 1
682 1 18 GLY H 1 18 GLY HA2 . . 2.910 2.300 2.288 2.306 . 0 0 "[ . 1 . 2]" 1
683 1 50 VAL H 1 50 VAL HB . . 3.690 3.733 3.697 3.766 0.076 16 0 "[ . 1 . 2]" 1
684 1 18 GLY H 1 71 THR H . . 5.500 4.673 4.572 4.947 . 0 0 "[ . 1 . 2]" 1
685 1 17 SER H 1 71 THR H . . 3.940 2.843 2.728 3.011 . 0 0 "[ . 1 . 2]" 1
686 1 70 VAL H 1 71 THR H . . 4.970 4.542 4.498 4.562 . 0 0 "[ . 1 . 2]" 1
687 1 16 ASP H 1 71 THR H . . 4.880 4.839 4.698 4.903 0.023 16 0 "[ . 1 . 2]" 1
688 1 71 THR H 1 72 ASP HA . . 4.600 4.477 4.458 4.500 . 0 0 "[ . 1 . 2]" 1
689 1 71 THR H 1 75 LYS QD . . 5.050 3.898 3.826 3.989 . 0 0 "[ . 1 . 2]" 1
690 1 71 THR H 1 71 THR MG . . 3.090 2.656 2.621 2.680 . 0 0 "[ . 1 . 2]" 1
691 1 12 LEU MD2 1 71 THR H . . 5.350 5.243 5.171 5.332 . 0 0 "[ . 1 . 2]" 1
692 1 49 ASP HB2 1 50 VAL H . . 3.870 3.914 3.880 3.961 0.091 16 0 "[ . 1 . 2]" 1
693 1 47 TYR H 1 50 VAL H . . 5.170 5.230 5.182 5.265 0.095 9 0 "[ . 1 . 2]" 1
694 1 49 ASP HB3 1 50 VAL H . . 3.510 2.847 2.748 2.960 . 0 0 "[ . 1 . 2]" 1
695 1 46 THR MG 1 50 VAL H . . 4.920 4.446 4.337 4.500 . 0 0 "[ . 1 . 2]" 1
696 1 50 VAL H 1 50 VAL MG2 . . 2.810 2.056 1.996 2.107 . 0 0 "[ . 1 . 2]" 1
697 1 50 VAL H 1 50 VAL MG1 . . 3.030 2.423 2.338 2.519 . 0 0 "[ . 1 . 2]" 1
698 1 50 VAL H 1 52 ILE MG . . 3.920 3.929 3.892 3.962 0.042 2 0 "[ . 1 . 2]" 1
699 1 40 ILE MD 1 50 VAL H . . 4.300 3.840 3.650 4.271 . 0 0 "[ . 1 . 2]" 1
700 1 29 CYS H 1 30 THR H . . 3.350 2.516 2.398 2.595 . 0 0 "[ . 1 . 2]" 1
701 1 28 ILE H 1 30 THR H . . 4.180 4.045 3.979 4.108 . 0 0 "[ . 1 . 2]" 1
702 1 27 GLU HA 1 30 THR H . . 4.450 3.364 3.201 3.550 . 0 0 "[ . 1 . 2]" 1
703 1 28 ILE HA 1 30 THR H . . 4.530 4.119 3.923 4.222 . 0 0 "[ . 1 . 2]" 1
704 1 26 GLU QB 1 30 THR H . . 5.340 5.325 5.235 5.362 0.022 9 0 "[ . 1 . 2]" 1
705 1 27 GLU HB3 1 30 THR H . . 5.310 5.117 4.904 5.356 0.046 20 0 "[ . 1 . 2]" 1
706 1 30 THR H 1 31 LYS QB . . 3.960 4.014 3.954 4.053 0.093 3 0 "[ . 1 . 2]" 1
707 1 30 THR H 1 30 THR MG . . 3.080 2.382 2.212 2.583 . 0 0 "[ . 1 . 2]" 1
708 1 28 ILE MG 1 30 THR H . . 4.980 4.756 4.678 4.885 . 0 0 "[ . 1 . 2]" 1
709 1 46 THR H 1 48 ALA H . . 5.500 4.786 4.703 4.904 . 0 0 "[ . 1 . 2]" 1
710 1 45 LYS H 1 46 THR H . . 4.560 4.463 4.351 4.575 0.015 18 0 "[ . 1 . 2]" 1
711 1 46 THR H 1 49 ASP H . . 3.960 3.588 3.472 3.708 . 0 0 "[ . 1 . 2]" 1
712 1 46 THR H 1 50 VAL H . . 4.900 4.943 4.859 5.009 0.109 10 0 "[ . 1 . 2]" 1
713 1 46 THR H 1 49 ASP HB2 . . 3.560 2.774 2.607 2.925 . 0 0 "[ . 1 . 2]" 1
714 1 46 THR H 1 49 ASP HB3 . . 3.690 2.924 2.799 3.086 . 0 0 "[ . 1 . 2]" 1
715 1 45 LYS HB3 1 46 THR H . . 3.590 3.532 3.433 3.629 0.039 18 0 "[ . 1 . 2]" 1
716 1 45 LYS HB2 1 46 THR H . . 3.460 1.960 1.827 2.125 . 0 0 "[ . 1 . 2]" 1
717 1 46 THR H 1 50 VAL MG2 . . 5.180 5.199 5.163 5.237 0.057 1 0 "[ . 1 . 2]" 1
718 1 40 ILE MG 1 46 THR H . . 5.430 4.997 4.692 5.304 . 0 0 "[ . 1 . 2]" 1
719 1 46 THR H 1 50 VAL MG1 . . 5.500 4.398 4.269 4.505 . 0 0 "[ . 1 . 2]" 1
720 1 40 ILE MD 1 46 THR H . . 4.680 3.836 3.644 4.117 . 0 0 "[ . 1 . 2]" 1
721 1 56 ARG H 1 57 GLY H . . 3.060 2.531 2.510 2.579 . 0 0 "[ . 1 . 2]" 1
722 1 47 TYR QD 1 57 GLY H . . 5.460 4.947 4.852 5.131 . 0 0 "[ . 1 . 2]" 1
723 1 47 TYR QE 1 57 GLY H . . 5.500 4.617 4.539 4.722 . 0 0 "[ . 1 . 2]" 1
724 1 53 ASP HA 1 57 GLY H . . 5.050 5.078 5.005 5.139 0.089 4 0 "[ . 1 . 2]" 1
725 1 56 ARG QD 1 57 GLY H . . 4.780 4.574 4.497 4.639 . 0 0 "[ . 1 . 2]" 1
726 1 56 ARG QB 1 57 GLY H . . 3.090 2.644 2.592 2.696 . 0 0 "[ . 1 . 2]" 1
727 1 69 GLY H 1 70 VAL H . . 2.950 2.329 2.290 2.363 . 0 0 "[ . 1 . 2]" 1
728 1 68 HIS H 1 69 GLY H . . 3.030 2.433 2.409 2.464 . 0 0 "[ . 1 . 2]" 1
729 1 69 GLY H 1 69 GLY HA2 . . 2.810 2.426 2.413 2.434 . 0 0 "[ . 1 . 2]" 1
730 1 69 GLY HA2 1 71 THR MG . . 4.360 3.616 3.413 3.738 . 0 0 "[ . 1 . 2]" 1
731 1 13 VAL HA 1 16 ASP HB2 . . 4.670 2.655 2.381 2.844 . 0 0 "[ . 1 . 2]" 1
732 1 54 ARG H 1 54 ARG HD2 . . 4.840 4.071 3.473 4.665 . 0 0 "[ . 1 . 2]" 1
733 1 54 ARG H 1 54 ARG HD3 . . 4.840 4.217 3.712 4.610 . 0 0 "[ . 1 . 2]" 1
734 1 82 ARG H 1 82 ARG QD . . 4.650 4.185 3.640 4.640 . 0 0 "[ . 1 . 2]" 1
735 1 82 ARG HA 1 82 ARG QD . . 4.260 4.130 3.959 4.247 . 0 0 "[ . 1 . 2]" 1
736 1 82 ARG HB3 1 82 ARG QD . . 3.670 2.533 2.304 2.930 . 0 0 "[ . 1 . 2]" 1
737 1 46 THR MG 1 82 ARG QD . . 4.230 3.932 3.582 4.287 0.057 4 0 "[ . 1 . 2]" 1
738 1 53 ASP HB2 1 54 ARG H . . 4.550 4.096 3.982 4.201 . 0 0 "[ . 1 . 2]" 1
739 1 87 LYS HA 1 87 LYS QE . . 3.670 3.762 3.712 3.809 0.139 14 0 "[ . 1 . 2]" 1
740 1 53 ASP HB2 1 56 ARG QB . . 4.010 2.587 2.056 3.731 . 0 0 "[ . 1 . 2]" 1
741 1 53 ASP HB3 1 56 ARG QB . . 4.010 2.947 2.059 3.388 . 0 0 "[ . 1 . 2]" 1
742 1 53 ASP H 1 56 ARG QD . . 3.910 3.357 3.114 3.503 . 0 0 "[ . 1 . 2]" 1
743 1 53 ASP HA 1 56 ARG QD . . 5.500 5.548 5.414 5.621 0.121 1 0 "[ . 1 . 2]" 1
744 1 56 ARG HA 1 56 ARG QD . . 4.600 4.113 3.955 4.269 . 0 0 "[ . 1 . 2]" 1
745 1 52 ILE MD 1 56 ARG QD . . 3.700 3.110 2.943 3.375 . 0 0 "[ . 1 . 2]" 1
746 1 80 LEU H 1 87 LYS QE . . 5.500 5.184 4.840 5.472 . 0 0 "[ . 1 . 2]" 1
747 1 87 LYS H 1 87 LYS QE . . 5.500 5.115 4.988 5.180 . 0 0 "[ . 1 . 2]" 1
748 1 41 ILE MD 1 79 LEU HB2 . . 3.690 3.554 3.178 3.738 0.048 15 0 "[ . 1 . 2]" 1
749 1 41 ILE MD 1 79 LEU HB3 . . 3.690 2.674 2.296 3.048 . 0 0 "[ . 1 . 2]" 1
750 1 15 ARG H 1 15 ARG HD3 . . 5.060 4.350 4.261 4.433 . 0 0 "[ . 1 . 2]" 1
751 1 15 ARG HA 1 15 ARG HD3 . . 3.660 2.111 1.984 2.323 . 0 0 "[ . 1 . 2]" 1
752 1 15 ARG HB2 1 15 ARG HD3 . . 4.160 3.778 3.752 3.874 . 0 0 "[ . 1 . 2]" 1
753 1 15 ARG HD3 1 71 THR MG . . 5.150 5.197 5.166 5.235 0.085 20 0 "[ . 1 . 2]" 1
754 1 15 ARG HD3 1 106 TRP HZ2 . . 5.150 4.805 4.441 5.146 . 0 0 "[ . 1 . 2]" 1
755 1 15 ARG HD3 1 106 TRP HH2 . . 4.490 4.527 4.303 4.598 0.108 1 0 "[ . 1 . 2]" 1
756 1 15 ARG H 1 15 ARG HD2 . . 5.500 5.082 4.933 5.156 . 0 0 "[ . 1 . 2]" 1
757 1 15 ARG HB3 1 15 ARG HD2 . . 4.170 2.384 2.265 2.442 . 0 0 "[ . 1 . 2]" 1
758 1 15 ARG HD2 1 71 THR MG . . 4.850 4.577 4.207 4.707 . 0 0 "[ . 1 . 2]" 1
759 1 99 VAL HA 1 102 LEU HB2 . . 4.500 3.399 3.167 3.524 . 0 0 "[ . 1 . 2]" 1
760 1 18 GLY HA2 1 75 LYS QE . . 4.160 3.374 3.141 4.072 . 0 0 "[ . 1 . 2]" 1
761 1 7 GLU HA 1 10 LYS QE . . 3.650 2.169 1.762 2.552 . 0 0 "[ . 1 . 2]" 1
762 1 111 LYS H 1 111 LYS QE . . 5.000 4.128 3.539 4.489 . 0 0 "[ . 1 . 2]" 1
763 1 108 VAL HA 1 111 LYS QE . . 3.920 2.145 1.881 2.716 . 0 0 "[ . 1 . 2]" 1
764 1 52 ILE HB 1 53 ASP H . . 4.260 4.054 4.006 4.091 . 0 0 "[ . 1 . 2]" 1
765 1 47 TYR HA 1 52 ILE HB . . 4.930 4.950 4.850 4.998 0.068 13 0 "[ . 1 . 2]" 1
766 1 63 LEU H 1 63 LEU HB3 . . 3.630 3.525 3.512 3.536 . 0 0 "[ . 1 . 2]" 1
767 1 63 LEU HB3 1 64 TYR H . . 4.160 3.556 3.440 3.623 . 0 0 "[ . 1 . 2]" 1
768 1 60 HIS HA 1 63 LEU HB3 . . 4.400 4.417 4.385 4.450 0.050 3 0 "[ . 1 . 2]" 1
769 1 63 LEU HB3 1 109 VAL MG1 . . 4.500 2.592 2.500 2.645 . 0 0 "[ . 1 . 2]" 1
770 1 63 LEU HB2 1 64 TYR H . . 4.080 3.020 2.907 3.070 . 0 0 "[ . 1 . 2]" 1
771 1 110 LYS HE2 1 111 LYS H . . 5.400 5.457 5.260 5.487 0.087 16 0 "[ . 1 . 2]" 1
772 1 110 LYS HE2 1 110 LYS HG3 . . 3.310 3.068 2.504 3.157 . 0 0 "[ . 1 . 2]" 1
773 1 107 SER HA 1 110 LYS HE2 . . 4.890 4.852 4.797 4.905 0.015 19 0 "[ . 1 . 2]" 1
774 1 110 LYS QB 1 110 LYS HE2 . . 3.320 1.987 1.948 2.444 . 0 0 "[ . 1 . 2]" 1
775 1 107 SER HA 1 110 LYS HE3 . . 4.660 4.573 4.520 4.694 0.034 4 0 "[ . 1 . 2]" 1
776 1 110 LYS HE3 1 110 LYS HG3 . . 3.720 3.752 3.328 3.784 0.064 2 0 "[ . 1 . 2]" 1
777 1 110 LYS QB 1 110 LYS HE3 . . 3.370 3.298 2.110 3.368 . 0 0 "[ . 1 . 2]" 1
778 1 63 LEU HB2 1 64 TYR QB . . 5.010 4.386 4.304 4.463 . 0 0 "[ . 1 . 2]" 1
779 1 46 THR HA 1 49 ASP HB2 . . 5.380 5.312 5.090 5.406 0.026 3 0 "[ . 1 . 2]" 1
780 1 45 LYS HB3 1 49 ASP HB2 . . 4.590 4.643 4.573 4.740 0.150 8 0 "[ . 1 . 2]" 1
781 1 45 LYS HB2 1 49 ASP HB2 . . 4.450 3.034 2.957 3.143 . 0 0 "[ . 1 . 2]" 1
782 1 49 ASP HB2 1 50 VAL MG1 . . 4.660 4.191 4.108 4.270 . 0 0 "[ . 1 . 2]" 1
783 1 45 LYS HG3 1 49 ASP HB3 . . 4.310 3.603 3.245 3.802 . 0 0 "[ . 1 . 2]" 1
784 1 46 THR MG 1 49 ASP HB3 . . 3.670 3.675 3.566 3.723 0.053 19 0 "[ . 1 . 2]" 1
785 1 49 ASP HB3 1 50 VAL MG2 . . 3.920 3.955 3.885 4.007 0.087 12 0 "[ . 1 . 2]" 1
786 1 49 ASP HB3 1 50 VAL MG1 . . 3.800 2.629 2.570 2.706 . 0 0 "[ . 1 . 2]" 1
787 1 46 THR HA 1 49 ASP HB3 . . 5.500 5.142 5.065 5.325 . 0 0 "[ . 1 . 2]" 1
788 1 58 ASP HB2 1 62 ILE MD . . 4.490 4.363 3.955 4.580 0.090 17 0 "[ . 1 . 2]" 1
789 1 86 ALA MB 1 98 PHE HB2 . . 4.660 2.345 2.192 2.478 . 0 0 "[ . 1 . 2]" 1
790 1 98 PHE HB2 1 99 VAL H . . 4.870 4.117 4.098 4.139 . 0 0 "[ . 1 . 2]" 1
791 1 97 TYR QD 1 98 PHE HB2 . . 5.500 4.367 3.997 5.482 . 0 0 "[ . 1 . 2]" 1
792 1 98 PHE HB3 1 99 VAL H . . 4.770 2.813 2.782 2.837 . 0 0 "[ . 1 . 2]" 1
793 1 86 ALA MB 1 98 PHE HB3 . . 5.160 3.904 3.750 4.052 . 0 0 "[ . 1 . 2]" 1
794 1 61 VAL MG1 1 64 TYR QB . . 5.110 4.217 4.108 4.384 . 0 0 "[ . 1 . 2]" 1
795 1 3 VAL HA 1 5 PHE QB . . 5.170 5.071 4.915 5.205 0.035 5 0 "[ . 1 . 2]" 1
796 1 98 PHE HB3 1 99 VAL HB . . 4.860 4.906 4.873 4.940 0.080 11 0 "[ . 1 . 2]" 1
797 1 98 PHE HB3 1 99 VAL MG2 . . 4.090 3.401 3.355 3.520 . 0 0 "[ . 1 . 2]" 1
798 1 28 ILE H 1 28 ILE HB . . 3.700 2.302 2.227 2.386 . 0 0 "[ . 1 . 2]" 1
799 1 24 ILE MG 1 28 ILE HB . . 4.210 3.901 3.643 4.215 0.005 5 0 "[ . 1 . 2]" 1
800 1 28 ILE HB 1 41 ILE MG . . 4.580 3.030 2.726 3.323 . 0 0 "[ . 1 . 2]" 1
801 1 76 ILE H 1 76 ILE HB . . 4.180 2.331 2.294 2.366 . 0 0 "[ . 1 . 2]" 1
802 1 109 VAL HA 1 112 TYR HB2 . . 4.760 3.704 3.510 3.896 . 0 0 "[ . 1 . 2]" 1
803 1 109 VAL HA 1 112 TYR HB3 . . 4.760 2.260 2.165 2.417 . 0 0 "[ . 1 . 2]" 1
804 1 62 ILE HB 1 63 LEU HA . . 5.210 4.558 4.508 4.606 . 0 0 "[ . 1 . 2]" 1
805 1 61 VAL H 1 62 ILE HB . . 5.030 4.644 4.594 4.692 . 0 0 "[ . 1 . 2]" 1
806 1 44 ASN H 1 44 ASN HB2 . . 4.110 3.455 2.945 3.977 . 0 0 "[ . 1 . 2]" 1
807 1 44 ASN H 1 44 ASN HB3 . . 4.110 3.878 2.969 4.024 . 0 0 "[ . 1 . 2]" 1
808 1 99 VAL MG1 1 100 ILE HB . . 5.410 5.197 5.108 5.241 . 0 0 "[ . 1 . 2]" 1
809 1 40 ILE HB 1 41 ILE QG . . 5.500 2.964 2.809 3.172 . 0 0 "[ . 1 . 2]" 1
810 1 40 ILE HB 1 45 LYS QD . . 5.500 5.437 5.287 5.583 0.083 8 0 "[ . 1 . 2]" 1
811 1 37 ILE MD 1 40 ILE HB . . 4.540 3.271 2.805 3.888 . 0 0 "[ . 1 . 2]" 1
812 1 88 GLU HA 1 88 GLU HG2 . . 3.950 3.017 2.217 3.792 . 0 0 "[ . 1 . 2]" 1
813 1 88 GLU H 1 88 GLU HG3 . . 4.200 3.819 2.857 4.314 0.114 11 0 "[ . 1 . 2]" 1
814 1 88 GLU HA 1 88 GLU HG3 . . 3.950 3.606 3.002 3.759 . 0 0 "[ . 1 . 2]" 1
815 1 27 GLU H 1 27 GLU HG3 . . 3.740 3.263 2.239 3.605 . 0 0 "[ . 1 . 2]" 1
816 1 6 GLU QG 1 7 GLU H . . 4.000 3.255 2.211 4.176 0.176 7 0 "[ . 1 . 2]" 1
817 1 6 GLU QG 1 8 LEU H . . 5.500 4.954 4.450 5.511 0.011 14 0 "[ . 1 . 2]" 1
818 1 78 GLU H 1 78 GLU HG2 . . 4.670 4.539 4.440 4.551 . 0 0 "[ . 1 . 2]" 1
819 1 22 GLU H 1 22 GLU QG . . 3.370 2.046 2.018 2.075 . 0 0 "[ . 1 . 2]" 1
820 1 22 GLU QG 1 24 ILE H . . 5.500 4.355 4.322 4.395 . 0 0 "[ . 1 . 2]" 1
821 1 7 GLU HA 1 7 GLU HG2 . . 3.610 3.273 2.342 3.736 0.126 10 0 "[ . 1 . 2]" 1
822 1 20 PRO HB2 1 22 GLU QG . . 3.620 2.153 2.128 2.193 . 0 0 "[ . 1 . 2]" 1
823 1 7 GLU HA 1 7 GLU HG3 . . 3.610 2.747 2.446 3.548 . 0 0 "[ . 1 . 2]" 1
824 1 78 GLU H 1 78 GLU HG3 . . 4.670 4.401 4.389 4.431 . 0 0 "[ . 1 . 2]" 1
825 1 6 GLU QG 1 10 LYS QE . . 5.500 4.509 2.820 5.625 0.125 6 0 "[ . 1 . 2]" 1
826 1 41 ILE HB 1 42 CYS HA . . 5.500 4.667 4.468 4.889 . 0 0 "[ . 1 . 2]" 1
827 1 25 LYS QE 1 41 ILE HB . . 5.370 4.794 4.447 5.178 . 0 0 "[ . 1 . 2]" 1
828 1 26 GLU H 1 26 GLU HG3 . . 4.060 3.251 2.076 3.561 . 0 0 "[ . 1 . 2]" 1
829 1 43 GLU H 1 43 GLU HG3 . . 4.340 3.808 2.751 4.284 . 0 0 "[ . 1 . 2]" 1
830 1 11 GLU HG2 1 106 TRP HE1 . . 4.440 1.976 1.799 4.261 . 0 0 "[ . 1 . 2]" 1
831 1 11 GLU HG2 1 12 LEU H . . 5.200 4.703 4.645 4.747 . 0 0 "[ . 1 . 2]" 1
832 1 11 GLU H 1 11 GLU HG2 . . 5.080 4.504 2.792 4.614 . 0 0 "[ . 1 . 2]" 1
833 1 11 GLU HG3 1 12 LEU H . . 5.200 3.827 3.692 5.144 . 0 0 "[ . 1 . 2]" 1
834 1 11 GLU H 1 11 GLU HG3 . . 5.080 4.362 3.874 4.421 . 0 0 "[ . 1 . 2]" 1
835 1 46 THR HA 1 47 TYR HB2 . . 4.930 4.907 4.877 4.944 0.014 13 0 "[ . 1 . 2]" 1
836 1 47 TYR HB2 1 81 PRO HG2 . . 5.500 4.477 4.310 4.614 . 0 0 "[ . 1 . 2]" 1
837 1 47 TYR HB2 1 81 PRO HG3 . . 5.500 4.822 4.527 5.007 . 0 0 "[ . 1 . 2]" 1
838 1 47 TYR HB2 1 50 VAL MG2 . . 4.990 4.575 4.519 4.616 . 0 0 "[ . 1 . 2]" 1
839 1 95 GLN H 1 95 GLN HG2 . . 4.810 2.920 2.032 3.657 . 0 0 "[ . 1 . 2]" 1
840 1 95 GLN H 1 95 GLN HG3 . . 4.810 2.838 2.165 3.602 . 0 0 "[ . 1 . 2]" 1
841 1 81 PRO HB3 1 83 ASP H . . 5.500 4.421 4.309 4.568 . 0 0 "[ . 1 . 2]" 1
842 1 46 THR HA 1 81 PRO HB2 . . 3.910 2.116 2.072 2.248 . 0 0 "[ . 1 . 2]" 1
843 1 45 LYS HB2 1 46 THR HA . . 4.730 4.597 4.573 4.640 . 0 0 "[ . 1 . 2]" 1
844 1 45 LYS HB2 1 50 VAL MG1 . . 5.500 4.158 3.885 4.431 . 0 0 "[ . 1 . 2]" 1
845 1 40 ILE MD 1 45 LYS HB2 . . 5.500 4.091 3.982 4.243 . 0 0 "[ . 1 . 2]" 1
846 1 46 THR HA 1 81 PRO HB3 . . 3.950 2.431 2.279 2.570 . 0 0 "[ . 1 . 2]" 1
847 1 75 LYS HB3 1 76 ILE H . . 5.160 3.730 3.692 3.759 . 0 0 "[ . 1 . 2]" 1
848 1 73 PRO HB2 1 98 PHE HE1 . . 5.120 2.773 2.553 3.593 . 0 0 "[ . 1 . 2]" 1
849 1 73 PRO HB2 1 98 PHE HZ . . 4.260 2.561 2.402 3.242 . 0 0 "[ . 1 . 2]" 1
850 1 73 PRO HB2 1 102 LEU QD . . 4.620 3.238 3.041 3.610 . 0 0 "[ . 1 . 2]" 1
851 1 104 LYS HB2 1 105 ALA H . . 4.040 2.890 2.841 2.940 . 0 0 "[ . 1 . 2]" 1
852 1 104 LYS H 1 104 LYS HB2 . . 3.750 2.365 2.350 2.381 . 0 0 "[ . 1 . 2]" 1
853 1 59 TRP HH2 1 104 LYS HB2 . . 4.180 3.525 3.461 3.588 . 0 0 "[ . 1 . 2]" 1
854 1 101 THR HA 1 104 LYS HB2 . . 4.820 3.160 3.019 3.375 . 0 0 "[ . 1 . 2]" 1
855 1 104 LYS HB2 1 104 LYS QE . . 4.830 2.830 2.229 2.948 . 0 0 "[ . 1 . 2]" 1
856 1 104 LYS HB2 1 105 ALA MB . . 4.370 4.240 4.206 4.318 . 0 0 "[ . 1 . 2]" 1
857 1 59 TRP HZ3 1 104 LYS HB2 . . 3.990 2.395 2.331 2.466 . 0 0 "[ . 1 . 2]" 1
858 1 73 PRO HB3 1 98 PHE HZ . . 4.260 2.513 2.147 2.660 . 0 0 "[ . 1 . 2]" 1
859 1 73 PRO HB3 1 98 PHE HE1 . . 5.120 2.708 2.431 3.139 . 0 0 "[ . 1 . 2]" 1
860 1 73 PRO HB3 1 102 LEU QD . . 4.620 2.023 1.928 2.234 . 0 0 "[ . 1 . 2]" 1
861 1 59 TRP HE3 1 104 LYS HB3 . . 5.500 5.358 5.298 5.425 . 0 0 "[ . 1 . 2]" 1
862 1 104 LYS H 1 104 LYS HB3 . . 3.740 3.590 3.578 3.611 . 0 0 "[ . 1 . 2]" 1
863 1 104 LYS HB3 1 104 LYS QE . . 4.750 2.064 1.989 2.595 . 0 0 "[ . 1 . 2]" 1
864 1 104 LYS HB3 1 105 ALA MB . . 4.890 4.915 4.892 4.940 0.050 3 0 "[ . 1 . 2]" 1
865 1 87 LYS HB2 1 87 LYS QE . . 4.980 2.882 2.763 2.977 . 0 0 "[ . 1 . 2]" 1
866 1 10 LYS H 1 10 LYS HB2 . . 3.780 3.626 3.611 3.642 . 0 0 "[ . 1 . 2]" 1
867 1 10 LYS HB2 1 11 GLU H . . 4.110 4.095 4.069 4.143 0.033 6 0 "[ . 1 . 2]" 1
868 1 10 LYS HB2 1 11 GLU HA . . 4.760 4.708 4.674 4.744 . 0 0 "[ . 1 . 2]" 1
869 1 10 LYS HB2 1 10 LYS QE . . 4.910 3.193 2.817 4.230 . 0 0 "[ . 1 . 2]" 1
870 1 25 LYS HB3 1 25 LYS QE . . 5.060 2.202 1.945 4.122 . 0 0 "[ . 1 . 2]" 1
871 1 25 LYS HB3 1 26 GLU H . . 4.720 4.016 3.747 4.091 . 0 0 "[ . 1 . 2]" 1
872 1 10 LYS HB3 1 11 GLU H . . 4.380 4.149 4.099 4.232 . 0 0 "[ . 1 . 2]" 1
873 1 10 LYS HB3 1 10 LYS QE . . 4.070 2.466 1.944 4.043 . 0 0 "[ . 1 . 2]" 1
874 1 87 LYS HB3 1 87 LYS QE . . 4.980 1.966 1.922 2.030 . 0 0 "[ . 1 . 2]" 1
875 1 20 PRO HB2 1 22 GLU H . . 4.290 2.573 2.536 2.621 . 0 0 "[ . 1 . 2]" 1
876 1 20 PRO HB2 1 22 GLU HA . . 5.230 5.277 5.238 5.308 0.078 16 0 "[ . 1 . 2]" 1
877 1 20 PRO HB2 1 75 LYS QE . . 5.500 5.333 5.225 5.434 . 0 0 "[ . 1 . 2]" 1
878 1 20 PRO HB2 1 21 VAL MG1 . . 5.440 4.521 4.433 4.587 . 0 0 "[ . 1 . 2]" 1
879 1 20 PRO HB2 1 21 VAL MG2 . . 5.440 3.785 3.711 3.870 . 0 0 "[ . 1 . 2]" 1
880 1 108 VAL HB 1 109 VAL MG2 . . 4.620 4.350 4.319 4.374 . 0 0 "[ . 1 . 2]" 1
881 1 20 PRO HB3 1 22 GLU H . . 4.370 4.278 4.242 4.321 . 0 0 "[ . 1 . 2]" 1
882 1 20 PRO HB3 1 21 VAL H . . 4.060 3.732 3.690 3.769 . 0 0 "[ . 1 . 2]" 1
883 1 20 PRO HB3 1 23 LYS H . . 5.070 5.042 4.986 5.097 0.027 20 0 "[ . 1 . 2]" 1
884 1 3 VAL HB 1 4 GLU H . . 4.150 3.644 2.729 4.126 . 0 0 "[ . 1 . 2]" 1
885 1 13 VAL H 1 14 LYS QB . . 4.530 4.352 4.262 4.408 . 0 0 "[ . 1 . 2]" 1
886 1 14 LYS QB 1 14 LYS QE . . 4.000 1.921 1.809 2.030 . 0 0 "[ . 1 . 2]" 1
887 1 13 VAL HB 1 14 LYS QB . . 5.500 5.180 4.947 5.293 . 0 0 "[ . 1 . 2]" 1
888 1 13 VAL MG2 1 14 LYS QB . . 4.840 3.069 2.851 3.210 . 0 0 "[ . 1 . 2]" 1
889 1 25 LYS H 1 25 LYS HB3 . . 3.990 3.582 3.569 3.592 . 0 0 "[ . 1 . 2]" 1
890 1 25 LYS HB2 1 25 LYS QE . . 4.640 3.202 2.982 4.552 . 0 0 "[ . 1 . 2]" 1
891 1 25 LYS H 1 25 LYS HB2 . . 3.740 2.477 2.350 2.663 . 0 0 "[ . 1 . 2]" 1
892 1 24 ILE H 1 25 LYS HB2 . . 5.500 4.956 4.699 5.023 . 0 0 "[ . 1 . 2]" 1
893 1 2 VAL HB 1 3 VAL HA . . 4.590 4.610 4.400 4.698 0.108 15 0 "[ . 1 . 2]" 1
894 1 2 VAL HB 1 5 PHE QB . . 5.500 4.453 3.864 5.523 0.023 3 0 "[ . 1 . 2]" 1
895 1 20 PRO HB2 1 23 LYS HB3 . . 4.840 4.850 4.727 4.942 0.102 20 0 "[ . 1 . 2]" 1
896 1 23 LYS HB3 1 24 ILE H . . 4.170 2.932 2.861 3.009 . 0 0 "[ . 1 . 2]" 1
897 1 19 LYS HA 1 23 LYS HB3 . . 5.500 4.668 4.567 4.919 . 0 0 "[ . 1 . 2]" 1
898 1 21 VAL HA 1 23 LYS HB3 . . 5.500 5.171 5.030 5.294 . 0 0 "[ . 1 . 2]" 1
899 1 23 LYS HB3 1 23 LYS QE . . 4.420 4.067 4.039 4.088 . 0 0 "[ . 1 . 2]" 1
900 1 23 LYS HB2 1 24 ILE H . . 4.260 4.016 3.887 4.075 . 0 0 "[ . 1 . 2]" 1
901 1 23 LYS H 1 23 LYS HB2 . . 3.670 2.652 2.537 2.696 . 0 0 "[ . 1 . 2]" 1
902 1 19 LYS HA 1 23 LYS HB2 . . 5.500 5.586 5.531 5.708 0.208 1 0 "[ . 1 . 2]" 1
903 1 14 LYS QB 1 15 ARG HA . . 4.580 4.428 4.355 4.526 . 0 0 "[ . 1 . 2]" 1
904 1 67 LYS HB3 1 69 GLY H . . 5.500 5.324 5.287 5.368 . 0 0 "[ . 1 . 2]" 1
905 1 111 LYS QB 1 113 LEU H . . 5.500 5.281 5.088 5.347 . 0 0 "[ . 1 . 2]" 1
906 1 67 LYS HB3 1 112 TYR QE . . 5.090 4.418 3.945 4.722 . 0 0 "[ . 1 . 2]" 1
907 1 67 LYS HB3 1 68 HIS HA . . 4.740 4.615 4.480 4.666 . 0 0 "[ . 1 . 2]" 1
908 1 37 ILE MD 1 61 VAL HB . . 4.840 4.101 3.908 4.309 . 0 0 "[ . 1 . 2]" 1
909 1 13 VAL H 1 13 VAL HB . . 3.820 3.630 3.612 3.640 . 0 0 "[ . 1 . 2]" 1
910 1 21 VAL H 1 21 VAL HB . . 3.700 3.579 3.565 3.584 . 0 0 "[ . 1 . 2]" 1
911 1 109 VAL HB 1 110 LYS H . . 4.030 4.082 4.061 4.107 0.077 4 0 "[ . 1 . 2]" 1
912 1 109 VAL H 1 109 VAL HB . . 3.680 3.651 3.643 3.656 . 0 0 "[ . 1 . 2]" 1
913 1 106 TRP HE3 1 109 VAL HB . . 4.780 4.742 4.669 4.797 0.017 13 0 "[ . 1 . 2]" 1
914 1 109 VAL HB 1 110 LYS QB . . 5.500 5.259 5.232 5.280 . 0 0 "[ . 1 . 2]" 1
915 1 27 GLU HB3 1 31 LYS QB . . 4.280 4.229 3.972 4.459 0.179 6 0 "[ . 1 . 2]" 1
916 1 85 LYS HB2 1 97 TYR QE . . 5.450 4.033 2.315 5.242 . 0 0 "[ . 1 . 2]" 1
917 1 85 LYS HB3 1 97 TYR QE . . 5.450 2.723 2.217 5.450 . 0 0 "[ . 1 . 2]" 1
918 1 40 ILE MD 1 50 VAL HB . . 4.700 4.065 3.863 4.232 . 0 0 "[ . 1 . 2]" 1
919 1 21 VAL HB 1 22 GLU H . . 4.850 4.156 4.106 4.230 . 0 0 "[ . 1 . 2]" 1
920 1 60 HIS HB2 1 61 VAL MG2 . . 4.000 3.327 3.266 3.430 . 0 0 "[ . 1 . 2]" 1
921 1 60 HIS HB3 1 63 LEU HB2 . . 5.090 5.059 4.993 5.115 0.025 20 0 "[ . 1 . 2]" 1
922 1 60 HIS HB3 1 61 VAL MG2 . . 4.670 4.261 4.189 4.336 . 0 0 "[ . 1 . 2]" 1
923 1 62 ILE H 1 62 ILE HG12 . . 4.350 3.713 3.671 3.762 . 0 0 "[ . 1 . 2]" 1
924 1 107 SER H 1 110 LYS QB . . 5.500 5.361 5.264 5.412 . 0 0 "[ . 1 . 2]" 1
925 1 110 LYS QB 1 113 LEU H . . 5.500 4.857 4.740 4.908 . 0 0 "[ . 1 . 2]" 1
926 1 110 LYS QB 1 114 GLU H . . 5.500 5.060 4.691 5.212 . 0 0 "[ . 1 . 2]" 1
927 1 110 LYS QB 1 111 LYS H . . 4.050 3.590 3.561 3.605 . 0 0 "[ . 1 . 2]" 1
928 1 110 LYS QB 1 111 LYS HA . . 5.190 4.565 4.531 4.595 . 0 0 "[ . 1 . 2]" 1
929 1 107 SER HA 1 110 LYS QB . . 4.380 3.972 3.886 4.031 . 0 0 "[ . 1 . 2]" 1
930 1 110 LYS QB 1 111 LYS QB . . 5.430 4.837 4.801 4.874 . 0 0 "[ . 1 . 2]" 1
931 1 110 LYS QB 1 110 LYS QD . . 3.370 2.348 2.326 2.425 . 0 0 "[ . 1 . 2]" 1
932 1 106 TRP H 1 106 TRP HB3 . . 4.050 2.421 2.397 2.458 . 0 0 "[ . 1 . 2]" 1
933 1 106 TRP HB3 1 107 SER H . . 4.710 2.896 2.880 2.920 . 0 0 "[ . 1 . 2]" 1
934 1 66 MET ME 1 106 TRP HB3 . . 4.480 3.404 3.360 3.433 . 0 0 "[ . 1 . 2]" 1
935 1 12 LEU MD2 1 106 TRP HB3 . . 4.790 3.480 3.441 3.534 . 0 0 "[ . 1 . 2]" 1
936 1 105 ALA MB 1 106 TRP HB2 . . 5.040 3.943 3.921 3.979 . 0 0 "[ . 1 . 2]" 1
937 1 12 LEU MD2 1 106 TRP HB2 . . 4.730 2.711 2.577 2.799 . 0 0 "[ . 1 . 2]" 1
938 1 25 LYS H 1 26 GLU QB . . 5.150 4.858 4.815 4.943 . 0 0 "[ . 1 . 2]" 1
939 1 26 GLU H 1 26 GLU QB . . 3.250 2.458 2.440 2.511 . 0 0 "[ . 1 . 2]" 1
940 1 24 ILE HA 1 26 GLU QB . . 5.220 4.923 4.812 4.978 . 0 0 "[ . 1 . 2]" 1
941 1 65 LEU HB3 1 70 VAL HB . . 5.430 5.122 4.926 5.332 . 0 0 "[ . 1 . 2]" 1
942 1 24 ILE HG13 1 75 LYS QD . . 4.050 2.920 2.714 3.403 . 0 0 "[ . 1 . 2]" 1
943 1 82 ARG HB2 1 82 ARG QD . . 3.670 2.554 2.316 2.931 . 0 0 "[ . 1 . 2]" 1
944 1 15 ARG HB2 1 106 TRP HH2 . . 5.010 3.375 2.887 3.772 . 0 0 "[ . 1 . 2]" 1
945 1 27 GLU H 1 27 GLU HB2 . . 3.660 2.403 2.382 2.455 . 0 0 "[ . 1 . 2]" 1
946 1 27 GLU HB2 1 28 ILE H . . 4.010 2.866 2.688 3.007 . 0 0 "[ . 1 . 2]" 1
947 1 27 GLU HB3 1 28 ILE H . . 4.380 3.840 3.700 3.922 . 0 0 "[ . 1 . 2]" 1
948 1 24 ILE HA 1 27 GLU HB3 . . 5.110 4.775 4.480 5.086 . 0 0 "[ . 1 . 2]" 1
949 1 56 ARG QB 1 60 HIS HD2 . . 5.500 4.308 4.216 4.429 . 0 0 "[ . 1 . 2]" 1
950 1 74 ASP HA 1 78 GLU HB2 . . 4.540 4.641 4.610 4.696 0.156 15 0 "[ . 1 . 2]" 1
951 1 25 LYS H 1 25 LYS QD . . 4.330 3.670 2.992 3.807 . 0 0 "[ . 1 . 2]" 1
952 1 25 LYS QD 1 79 LEU MD1 . . 4.180 3.836 2.888 4.107 . 0 0 "[ . 1 . 2]" 1
953 1 25 LYS QD 1 79 LEU MD2 . . 4.180 2.159 1.892 2.745 . 0 0 "[ . 1 . 2]" 1
954 1 14 LYS QD 1 15 ARG H . . 5.500 4.966 4.747 5.418 . 0 0 "[ . 1 . 2]" 1
955 1 27 GLU HB3 1 31 LYS QD . . 4.210 2.668 2.058 4.152 . 0 0 "[ . 1 . 2]" 1
956 1 14 LYS QB 1 14 LYS QD . . 3.140 2.614 2.351 2.875 . 0 0 "[ . 1 . 2]" 1
957 1 25 LYS HB3 1 25 LYS QD . . 2.850 2.795 2.218 2.955 0.105 12 0 "[ . 1 . 2]" 1
958 1 10 LYS H 1 10 LYS HD2 . . 5.500 4.532 4.428 4.754 . 0 0 "[ . 1 . 2]" 1
959 1 10 LYS H 1 10 LYS HD3 . . 5.500 4.554 3.923 4.747 . 0 0 "[ . 1 . 2]" 1
960 1 67 LYS H 1 67 LYS HD2 . . 5.150 4.148 3.911 4.931 . 0 0 "[ . 1 . 2]" 1
961 1 67 LYS H 1 67 LYS HD3 . . 5.150 4.830 4.764 4.964 . 0 0 "[ . 1 . 2]" 1
962 1 101 THR HA 1 105 ALA H . . 5.500 3.949 3.879 3.995 . 0 0 "[ . 1 . 2]" 1
963 1 101 THR HA 1 104 LYS HB3 . . 5.500 4.847 4.706 5.075 . 0 0 "[ . 1 . 2]" 1
964 1 100 ILE MG 1 101 THR HA . . 4.030 3.434 3.346 3.506 . 0 0 "[ . 1 . 2]" 1
965 1 99 VAL MG1 1 100 ILE HG12 . . 4.410 4.009 3.895 4.069 . 0 0 "[ . 1 . 2]" 1
966 1 45 LYS QD 1 46 THR H . . 4.560 3.566 3.204 3.905 . 0 0 "[ . 1 . 2]" 1
967 1 45 LYS H 1 45 LYS QD . . 4.310 4.028 3.954 4.068 . 0 0 "[ . 1 . 2]" 1
968 1 45 LYS QD 1 46 THR HA . . 5.390 5.273 5.108 5.435 0.045 18 0 "[ . 1 . 2]" 1
969 1 40 ILE MD 1 45 LYS QD . . 4.710 2.679 2.288 3.183 . 0 0 "[ . 1 . 2]" 1
970 1 107 SER HA 1 110 LYS QD . . 4.040 2.193 2.150 2.260 . 0 0 "[ . 1 . 2]" 1
971 1 110 LYS HA 1 110 LYS QD . . 4.630 4.546 4.526 4.598 . 0 0 "[ . 1 . 2]" 1
972 1 106 TRP HZ2 1 110 LYS QD . . 5.060 4.726 4.685 4.765 . 0 0 "[ . 1 . 2]" 1
973 1 111 LYS H 1 111 LYS QD . . 4.340 3.965 3.801 4.258 . 0 0 "[ . 1 . 2]" 1
974 1 111 LYS HA 1 111 LYS QD . . 4.460 4.326 4.244 4.489 0.029 15 0 "[ . 1 . 2]" 1
975 1 108 VAL HA 1 111 LYS QD . . 4.400 3.062 2.799 3.221 . 0 0 "[ . 1 . 2]" 1
976 1 28 ILE H 1 28 ILE HG13 . . 4.480 3.470 3.393 3.534 . 0 0 "[ . 1 . 2]" 1
977 1 68 HIS H 1 68 HIS HB2 . . 4.000 2.730 2.624 2.846 . 0 0 "[ . 1 . 2]" 1
978 1 65 LEU HA 1 68 HIS HB2 . . 4.430 3.104 2.767 3.346 . 0 0 "[ . 1 . 2]" 1
979 1 68 HIS HB3 1 69 GLY H . . 5.040 3.203 3.141 3.262 . 0 0 "[ . 1 . 2]" 1
980 1 68 HIS H 1 68 HIS HB3 . . 3.980 2.305 2.233 2.353 . 0 0 "[ . 1 . 2]" 1
981 1 65 LEU HA 1 68 HIS HB3 . . 4.520 2.362 2.200 2.567 . 0 0 "[ . 1 . 2]" 1
982 1 22 GLU H 1 22 GLU QB . . 3.110 2.459 2.432 2.481 . 0 0 "[ . 1 . 2]" 1
983 1 22 GLU QB 1 24 ILE H . . 5.500 5.162 5.077 5.203 . 0 0 "[ . 1 . 2]" 1
984 1 22 GLU QB 1 23 LYS H . . 3.720 3.673 3.647 3.700 . 0 0 "[ . 1 . 2]" 1
985 1 20 PRO HB2 1 22 GLU QB . . 5.140 3.899 3.836 3.996 . 0 0 "[ . 1 . 2]" 1
986 1 28 ILE HA 1 28 ILE HG12 . . 4.060 2.733 2.689 2.792 . 0 0 "[ . 1 . 2]" 1
987 1 28 ILE H 1 28 ILE HG12 . . 4.240 2.362 2.276 2.489 . 0 0 "[ . 1 . 2]" 1
988 1 87 LYS HA 1 87 LYS HD2 . . 4.710 4.704 4.660 4.737 0.027 5 0 "[ . 1 . 2]" 1
989 1 41 ILE H 1 41 ILE QG . . 4.170 2.581 2.408 2.767 . 0 0 "[ . 1 . 2]" 1
990 1 41 ILE QG 1 79 LEU HA . . 3.900 3.983 3.947 4.053 0.153 12 0 "[ . 1 . 2]" 1
991 1 37 ILE MD 1 41 ILE QG . . 4.750 3.125 2.715 3.509 . 0 0 "[ . 1 . 2]" 1
992 1 41 ILE QG 1 42 CYS H . . 4.770 4.344 4.262 4.465 . 0 0 "[ . 1 . 2]" 1
993 1 28 ILE HG13 1 64 TYR QE . . 4.990 4.360 4.227 4.443 . 0 0 "[ . 1 . 2]" 1
994 1 24 ILE HB 1 28 ILE HG13 . . 5.140 4.589 4.366 4.798 . 0 0 "[ . 1 . 2]" 1
995 1 61 VAL HA 1 63 LEU H . . 4.620 4.590 4.518 4.633 0.013 2 0 "[ . 1 . 2]" 1
996 1 61 VAL HA 1 61 VAL MG2 . . 2.760 2.297 2.229 2.345 . 0 0 "[ . 1 . 2]" 1
997 1 61 VAL HA 1 64 TYR H . . 4.660 3.663 3.579 3.744 . 0 0 "[ . 1 . 2]" 1
998 1 61 VAL HA 1 62 ILE HA . . 5.130 4.735 4.716 4.754 . 0 0 "[ . 1 . 2]" 1
999 1 62 ILE HA 1 63 LEU HA . . 5.500 4.766 4.747 4.776 . 0 0 "[ . 1 . 2]" 1
1000 1 62 ILE HA 1 62 ILE HG12 . . 3.990 2.418 2.366 2.507 . 0 0 "[ . 1 . 2]" 1
1001 1 62 ILE HA 1 66 MET ME . . 4.720 4.289 4.226 4.386 . 0 0 "[ . 1 . 2]" 1
1002 1 62 ILE HA 1 62 ILE HG13 . . 3.020 2.801 2.745 2.838 . 0 0 "[ . 1 . 2]" 1
1003 1 13 VAL HA 1 72 ASP HA . . 4.780 4.215 4.039 4.557 . 0 0 "[ . 1 . 2]" 1
1004 1 13 VAL HA 1 14 LYS HA . . 5.030 4.731 4.706 4.789 . 0 0 "[ . 1 . 2]" 1
1005 1 13 VAL HA 1 16 ASP HB3 . . 4.670 3.046 2.750 3.259 . 0 0 "[ . 1 . 2]" 1
1006 1 13 VAL HA 1 13 VAL MG2 . . 3.260 3.219 3.212 3.224 . 0 0 "[ . 1 . 2]" 1
1007 1 28 ILE MD 1 68 HIS HB3 . . 5.180 3.045 2.789 3.470 . 0 0 "[ . 1 . 2]" 1
1008 1 87 LYS HA 1 87 LYS HD3 . . 4.710 4.633 4.599 4.657 . 0 0 "[ . 1 . 2]" 1
1009 1 24 ILE H 1 24 ILE HG13 . . 4.290 3.579 3.532 3.615 . 0 0 "[ . 1 . 2]" 1
1010 1 24 ILE HA 1 24 ILE HG13 . . 3.870 3.749 3.725 3.773 . 0 0 "[ . 1 . 2]" 1
1011 1 40 ILE H 1 40 ILE HG12 . . 4.290 2.449 2.187 2.784 . 0 0 "[ . 1 . 2]" 1
1012 1 24 ILE HG13 1 75 LYS HB3 . . 3.720 3.428 3.284 3.594 . 0 0 "[ . 1 . 2]" 1
1013 1 73 PRO HG2 1 98 PHE HZ . . 4.750 4.752 4.678 4.849 0.099 2 0 "[ . 1 . 2]" 1
1014 1 73 PRO HG3 1 98 PHE HZ . . 4.750 4.695 4.283 4.777 0.027 8 0 "[ . 1 . 2]" 1
1015 1 98 PHE HD1 1 99 VAL HA . . 4.550 3.119 3.048 3.167 . 0 0 "[ . 1 . 2]" 1
1016 1 99 VAL HA 1 102 LEU HB3 . . 4.500 2.145 2.073 2.202 . 0 0 "[ . 1 . 2]" 1
1017 1 99 VAL HA 1 102 LEU QD . . 4.420 2.925 2.806 3.031 . 0 0 "[ . 1 . 2]" 1
1018 1 98 PHE HB3 1 99 VAL HA . . 4.660 4.661 4.632 4.707 0.047 11 0 "[ . 1 . 2]" 1
1019 1 56 ARG HG3 1 57 GLY H . . 4.980 4.665 4.580 4.717 . 0 0 "[ . 1 . 2]" 1
1020 1 56 ARG H 1 56 ARG HG3 . . 4.680 4.484 4.461 4.499 . 0 0 "[ . 1 . 2]" 1
1021 1 56 ARG HG3 1 60 HIS H . . 4.990 4.944 4.815 5.034 0.044 4 0 "[ . 1 . 2]" 1
1022 1 56 ARG HA 1 56 ARG HG3 . . 3.990 2.575 2.523 2.614 . 0 0 "[ . 1 . 2]" 1
1023 1 52 ILE MD 1 56 ARG HG3 . . 4.290 4.229 4.042 4.361 0.071 14 0 "[ . 1 . 2]" 1
1024 1 78 GLU H 1 79 LEU HG . . 5.490 4.176 4.128 4.210 . 0 0 "[ . 1 . 2]" 1
1025 1 79 LEU HG 1 80 LEU H . . 5.500 4.741 4.689 4.796 . 0 0 "[ . 1 . 2]" 1
1026 1 52 ILE MD 1 56 ARG HG2 . . 3.960 2.650 2.440 2.786 . 0 0 "[ . 1 . 2]" 1
1027 1 11 GLU HA 1 15 ARG QG . . 5.110 3.861 3.551 4.265 . 0 0 "[ . 1 . 2]" 1
1028 1 15 ARG QG 1 71 THR MG . . 4.420 4.185 4.006 4.300 . 0 0 "[ . 1 . 2]" 1
1029 1 79 LEU MD1 1 80 LEU H . . 5.500 5.282 5.215 5.364 . 0 0 "[ . 1 . 2]" 1
1030 1 109 VAL HA 1 113 LEU H . . 5.430 4.068 3.889 4.508 . 0 0 "[ . 1 . 2]" 1
1031 1 109 VAL HA 1 112 TYR QE . . 5.440 5.258 5.175 5.345 . 0 0 "[ . 1 . 2]" 1
1032 1 108 VAL HA 1 109 VAL HA . . 4.970 4.666 4.653 4.675 . 0 0 "[ . 1 . 2]" 1
1033 1 109 VAL HA 1 109 VAL MG1 . . 3.180 2.435 2.418 2.446 . 0 0 "[ . 1 . 2]" 1
1034 1 109 VAL HA 1 109 VAL MG2 . . 3.290 3.206 3.201 3.215 . 0 0 "[ . 1 . 2]" 1
1035 1 65 LEU H 1 65 LEU MD1 . . 4.170 3.146 2.430 3.590 . 0 0 "[ . 1 . 2]" 1
1036 1 64 TYR QD 1 65 LEU MD1 . . 4.790 3.561 2.061 4.521 . 0 0 "[ . 1 . 2]" 1
1037 1 65 LEU HA 1 65 LEU MD1 . . 4.280 3.236 2.093 3.829 . 0 0 "[ . 1 . 2]" 1
1038 1 67 LYS HA 1 67 LYS HG2 . . 4.230 2.422 2.344 2.491 . 0 0 "[ . 1 . 2]" 1
1039 1 63 LEU HG 1 109 VAL H . . 4.980 3.910 3.872 3.942 . 0 0 "[ . 1 . 2]" 1
1040 1 59 TRP HZ3 1 63 LEU HG . . 5.700 5.751 5.715 5.771 0.071 4 0 "[ . 1 . 2]" 1
1041 1 63 LEU HG 1 108 VAL HB . . 5.500 3.500 3.462 3.533 . 0 0 "[ . 1 . 2]" 1
1042 1 63 LEU H 1 63 LEU HG . . 3.970 3.724 3.693 3.757 . 0 0 "[ . 1 . 2]" 1
1043 1 79 LEU H 1 79 LEU MD1 . . 4.320 3.916 3.700 3.998 . 0 0 "[ . 1 . 2]" 1
1044 1 79 LEU HA 1 79 LEU MD1 . . 3.900 3.754 3.731 3.796 . 0 0 "[ . 1 . 2]" 1
1045 1 25 LYS QE 1 79 LEU MD1 . . 4.000 4.046 3.788 4.093 0.093 13 0 "[ . 1 . 2]" 1
1046 1 47 TYR QD 1 81 PRO HG2 . . 5.210 3.212 3.058 3.356 . 0 0 "[ . 1 . 2]" 1
1047 1 47 TYR QE 1 81 PRO HG2 . . 5.490 2.797 2.702 2.928 . 0 0 "[ . 1 . 2]" 1
1048 1 47 TYR QD 1 81 PRO HG3 . . 5.210 3.379 3.254 3.457 . 0 0 "[ . 1 . 2]" 1
1049 1 47 TYR QE 1 81 PRO HG3 . . 5.490 2.917 2.846 3.026 . 0 0 "[ . 1 . 2]" 1
1050 1 82 ARG H 1 82 ARG QG . . 4.040 3.263 1.873 3.952 . 0 0 "[ . 1 . 2]" 1
1051 1 77 LEU HG 1 78 GLU HA . . 5.050 3.261 3.132 3.379 . 0 0 "[ . 1 . 2]" 1
1052 1 77 LEU HG 1 87 LYS QE . . 4.580 3.805 3.005 4.444 . 0 0 "[ . 1 . 2]" 1
1053 1 45 LYS H 1 45 LYS HG2 . . 3.900 1.930 1.852 1.981 . 0 0 "[ . 1 . 2]" 1
1054 1 74 ASP HA 1 77 LEU HG . . 4.660 4.722 4.701 4.748 0.088 11 0 "[ . 1 . 2]" 1
1055 1 75 LYS H 1 75 LYS HG2 . . 4.620 3.409 3.295 3.471 . 0 0 "[ . 1 . 2]" 1
1056 1 23 LYS H 1 24 ILE HA . . 5.280 4.884 4.870 4.912 . 0 0 "[ . 1 . 2]" 1
1057 1 24 ILE HA 1 27 GLU HB2 . . 4.090 3.074 2.795 3.340 . 0 0 "[ . 1 . 2]" 1
1058 1 24 ILE HA 1 24 ILE HG12 . . 3.630 3.137 3.111 3.167 . 0 0 "[ . 1 . 2]" 1
1059 1 45 LYS HG3 1 46 THR HA . . 4.420 3.896 3.805 4.143 . 0 0 "[ . 1 . 2]" 1
1060 1 11 GLU H 1 12 LEU MD1 . . 5.500 5.299 5.190 5.445 . 0 0 "[ . 1 . 2]" 1
1061 1 100 ILE HA 1 100 ILE HG12 . . 3.700 3.019 2.974 3.053 . 0 0 "[ . 1 . 2]" 1
1062 1 100 ILE HA 1 100 ILE HG13 . . 3.790 3.724 3.698 3.739 . 0 0 "[ . 1 . 2]" 1
1063 1 100 ILE HA 1 100 ILE MG . . 3.140 2.441 2.419 2.472 . 0 0 "[ . 1 . 2]" 1
1064 1 99 VAL MG1 1 100 ILE HA . . 4.040 3.433 3.336 3.481 . 0 0 "[ . 1 . 2]" 1
1065 1 12 LEU HA 1 12 LEU MD1 . . 4.050 3.801 3.779 3.817 . 0 0 "[ . 1 . 2]" 1
1066 1 12 LEU MD1 1 106 TRP HB2 . . 4.380 3.908 3.539 4.068 . 0 0 "[ . 1 . 2]" 1
1067 1 12 LEU MD1 1 66 MET ME . . 3.850 3.753 3.545 3.961 0.111 20 0 "[ . 1 . 2]" 1
1068 1 28 ILE HA 1 64 TYR QE . . 4.790 3.967 3.731 4.210 . 0 0 "[ . 1 . 2]" 1
1069 1 27 GLU HB2 1 28 ILE HA . . 5.500 4.406 4.281 4.523 . 0 0 "[ . 1 . 2]" 1
1070 1 27 GLU HB3 1 28 ILE HA . . 4.790 4.497 4.388 4.600 . 0 0 "[ . 1 . 2]" 1
1071 1 28 ILE HA 1 31 LYS QB . . 4.690 3.114 2.671 4.166 . 0 0 "[ . 1 . 2]" 1
1072 1 28 ILE HA 1 28 ILE HG13 . . 3.940 3.725 3.689 3.770 . 0 0 "[ . 1 . 2]" 1
1073 1 28 ILE HA 1 28 ILE MD . . 3.600 2.134 2.056 2.223 . 0 0 "[ . 1 . 2]" 1
1074 1 104 LYS HG3 1 105 ALA H . . 4.760 4.483 4.435 4.621 . 0 0 "[ . 1 . 2]" 1
1075 1 104 LYS HG2 1 105 ALA H . . 5.080 5.083 4.952 5.104 0.024 10 0 "[ . 1 . 2]" 1
1076 1 104 LYS QE 1 104 LYS HG2 . . 3.910 2.696 2.345 3.333 . 0 0 "[ . 1 . 2]" 1
1077 1 59 TRP HH2 1 104 LYS HG2 . . 5.020 5.089 5.041 5.170 0.150 9 0 "[ . 1 . 2]" 1
1078 1 96 LYS HG2 1 97 TYR H . . 5.420 3.951 3.244 5.079 . 0 0 "[ . 1 . 2]" 1
1079 1 96 LYS HG3 1 97 TYR H . . 5.420 4.413 3.347 4.996 . 0 0 "[ . 1 . 2]" 1
1080 1 96 LYS QE 1 96 LYS HG2 . . 3.770 2.604 2.331 3.328 . 0 0 "[ . 1 . 2]" 1
1081 1 96 LYS QE 1 96 LYS HG3 . . 3.770 2.858 2.368 3.522 . 0 0 "[ . 1 . 2]" 1
1082 1 102 LEU HA 1 102 LEU HG . . 3.980 3.144 3.087 3.193 . 0 0 "[ . 1 . 2]" 1
1083 1 102 LEU HG 1 106 TRP HB2 . . 5.040 3.890 3.736 4.090 . 0 0 "[ . 1 . 2]" 1
1084 1 99 VAL HA 1 102 LEU HG . . 5.500 4.348 4.324 4.383 . 0 0 "[ . 1 . 2]" 1
1085 1 66 MET ME 1 102 LEU HG . . 3.920 3.457 3.274 3.657 . 0 0 "[ . 1 . 2]" 1
1086 1 3 VAL HA 1 6 GLU H . . 4.580 3.421 3.164 3.561 . 0 0 "[ . 1 . 2]" 1
1087 1 14 LYS H 1 14 LYS HG2 . . 5.190 4.493 4.237 4.614 . 0 0 "[ . 1 . 2]" 1
1088 1 14 LYS HG2 1 15 ARG H . . 5.500 4.655 3.937 5.259 . 0 0 "[ . 1 . 2]" 1
1089 1 14 LYS HA 1 14 LYS HG2 . . 3.820 3.472 3.111 3.790 . 0 0 "[ . 1 . 2]" 1
1090 1 14 LYS H 1 14 LYS HG3 . . 5.190 4.432 4.377 4.491 . 0 0 "[ . 1 . 2]" 1
1091 1 14 LYS HG3 1 15 ARG H . . 5.500 4.538 4.050 5.033 . 0 0 "[ . 1 . 2]" 1
1092 1 85 LYS H 1 85 LYS HG2 . . 4.840 4.114 1.939 4.453 . 0 0 "[ . 1 . 2]" 1
1093 1 31 LYS H 1 31 LYS HG3 . . 4.380 3.232 3.025 4.012 . 0 0 "[ . 1 . 2]" 1
1094 1 77 LEU MD1 1 78 GLU H . . 4.870 4.514 4.457 4.561 . 0 0 "[ . 1 . 2]" 1
1095 1 74 ASP HA 1 77 LEU MD1 . . 4.920 4.978 4.951 5.005 0.085 17 0 "[ . 1 . 2]" 1
1096 1 110 LYS H 1 110 LYS HG3 . . 4.020 3.583 3.544 3.616 . 0 0 "[ . 1 . 2]" 1
1097 1 25 LYS H 1 79 LEU MD2 . . 4.630 4.070 3.888 4.165 . 0 0 "[ . 1 . 2]" 1
1098 1 79 LEU MD2 1 80 LEU H . . 5.500 4.648 4.598 4.741 . 0 0 "[ . 1 . 2]" 1
1099 1 79 LEU HA 1 79 LEU MD2 . . 3.900 1.940 1.921 1.954 . 0 0 "[ . 1 . 2]" 1
1100 1 25 LYS QE 1 79 LEU MD2 . . 5.000 2.494 1.790 2.840 . 0 0 "[ . 1 . 2]" 1
1101 1 110 LYS HA 1 110 LYS HG2 . . 3.760 3.742 3.733 3.755 . 0 0 "[ . 1 . 2]" 1
1102 1 63 LEU MD1 1 105 ALA H . . 5.500 4.058 4.012 4.079 . 0 0 "[ . 1 . 2]" 1
1103 1 63 LEU MD1 1 105 ALA HA . . 3.590 2.038 2.017 2.058 . 0 0 "[ . 1 . 2]" 1
1104 1 63 LEU HA 1 63 LEU MD1 . . 3.830 2.946 2.915 2.969 . 0 0 "[ . 1 . 2]" 1
1105 1 63 LEU MD1 1 108 VAL HB . . 4.140 3.619 3.589 3.651 . 0 0 "[ . 1 . 2]" 1
1106 1 63 LEU MD1 1 105 ALA MB . . 3.990 1.931 1.916 1.950 . 0 0 "[ . 1 . 2]" 1
1107 1 77 LEU H 1 77 LEU MD2 . . 4.760 4.050 4.034 4.071 . 0 0 "[ . 1 . 2]" 1
1108 1 77 LEU MD2 1 78 GLU H . . 4.950 3.977 3.915 4.059 . 0 0 "[ . 1 . 2]" 1
1109 1 74 ASP HA 1 77 LEU MD2 . . 4.920 2.945 2.919 2.973 . 0 0 "[ . 1 . 2]" 1
1110 1 63 LEU MD2 1 105 ALA H . . 5.500 5.521 5.481 5.548 0.048 5 0 "[ . 1 . 2]" 1
1111 1 63 LEU MD2 1 109 VAL H . . 4.770 3.675 3.646 3.704 . 0 0 "[ . 1 . 2]" 1
1112 1 59 TRP HD1 1 63 LEU MD2 . . 4.830 4.234 4.134 4.271 . 0 0 "[ . 1 . 2]" 1
1113 1 63 LEU MD2 1 105 ALA HA . . 3.590 3.025 2.996 3.058 . 0 0 "[ . 1 . 2]" 1
1114 1 63 LEU HA 1 63 LEU MD2 . . 3.830 3.555 3.544 3.574 . 0 0 "[ . 1 . 2]" 1
1115 1 63 LEU MD2 1 108 VAL HB . . 3.440 2.218 2.185 2.252 . 0 0 "[ . 1 . 2]" 1
1116 1 63 LEU MD2 1 109 VAL MG1 . . 3.470 2.186 2.164 2.216 . 0 0 "[ . 1 . 2]" 1
1117 1 64 TYR HA 1 67 LYS H . . 4.540 3.288 3.194 3.355 . 0 0 "[ . 1 . 2]" 1
1118 1 64 TYR HA 1 64 TYR QD . . 3.830 2.713 2.518 2.915 . 0 0 "[ . 1 . 2]" 1
1119 1 63 LEU HA 1 64 TYR HA . . 4.850 4.723 4.672 4.757 . 0 0 "[ . 1 . 2]" 1
1120 1 106 TRP H 1 109 VAL MG1 . . 4.830 4.888 4.868 4.912 0.082 7 0 "[ . 1 . 2]" 1
1121 1 66 MET H 1 109 VAL MG1 . . 4.400 4.161 4.062 4.223 . 0 0 "[ . 1 . 2]" 1
1122 1 106 TRP HE3 1 109 VAL MG1 . . 4.020 4.098 4.046 4.117 0.097 8 0 "[ . 1 . 2]" 1
1123 1 106 TRP HZ3 1 109 VAL MG1 . . 5.260 4.856 4.770 4.916 . 0 0 "[ . 1 . 2]" 1
1124 1 109 VAL MG1 1 112 TYR QE . . 5.500 5.417 5.274 5.509 0.009 20 0 "[ . 1 . 2]" 1
1125 1 105 ALA HA 1 109 VAL MG1 . . 3.990 3.875 3.833 3.910 . 0 0 "[ . 1 . 2]" 1
1126 1 63 LEU HA 1 109 VAL MG1 . . 3.120 2.335 2.260 2.406 . 0 0 "[ . 1 . 2]" 1
1127 1 108 VAL HB 1 109 VAL MG1 . . 3.440 3.052 3.016 3.090 . 0 0 "[ . 1 . 2]" 1
1128 1 63 LEU MD1 1 109 VAL MG1 . . 3.470 3.501 3.478 3.515 0.045 8 0 "[ . 1 . 2]" 1
1129 1 29 CYS HB2 1 30 THR HA . . 5.500 4.935 4.586 5.763 0.263 11 0 "[ . 1 . 2]" 1
1130 1 29 CYS HB3 1 30 THR HA . . 5.500 4.595 4.395 4.927 . 0 0 "[ . 1 . 2]" 1
1131 1 30 THR HA 1 30 THR MG . . 3.380 2.748 2.482 3.190 . 0 0 "[ . 1 . 2]" 1
1132 1 107 SER HA 1 110 LYS HG3 . . 4.110 3.621 3.554 3.714 . 0 0 "[ . 1 . 2]" 1
1133 1 107 SER HA 1 110 LYS HG2 . . 3.850 2.349 2.309 2.409 . 0 0 "[ . 1 . 2]" 1
1134 1 61 VAL MG1 1 62 ILE H . . 4.010 3.342 3.276 3.413 . 0 0 "[ . 1 . 2]" 1
1135 1 61 VAL H 1 61 VAL MG1 . . 3.780 3.710 3.688 3.724 . 0 0 "[ . 1 . 2]" 1
1136 1 41 ILE H 1 61 VAL MG1 . . 5.500 5.527 5.431 5.590 0.090 7 0 "[ . 1 . 2]" 1
1137 1 61 VAL MG1 1 63 LEU H . . 5.020 5.052 5.021 5.094 0.074 16 0 "[ . 1 . 2]" 1
1138 1 61 VAL MG1 1 64 TYR QD . . 4.920 4.159 3.936 4.375 . 0 0 "[ . 1 . 2]" 1
1139 1 47 TYR QE 1 61 VAL MG1 . . 4.180 4.253 4.218 4.298 0.118 10 0 "[ . 1 . 2]" 1
1140 1 58 ASP HA 1 61 VAL MG1 . . 4.140 3.862 3.640 3.958 . 0 0 "[ . 1 . 2]" 1
1141 1 61 VAL HA 1 61 VAL MG1 . . 3.140 2.498 2.476 2.523 . 0 0 "[ . 1 . 2]" 1
1142 1 37 ILE MD 1 61 VAL MG1 . . 3.010 2.472 2.107 2.766 . 0 0 "[ . 1 . 2]" 1
1143 1 13 VAL MG1 1 14 LYS H . . 3.990 4.000 3.961 4.018 0.028 1 0 "[ . 1 . 2]" 1
1144 1 13 VAL MG1 1 72 ASP HA . . 4.140 3.787 3.643 4.084 . 0 0 "[ . 1 . 2]" 1
1145 1 13 VAL HA 1 13 VAL MG1 . . 2.990 2.388 2.371 2.406 . 0 0 "[ . 1 . 2]" 1
1146 1 12 LEU HA 1 13 VAL MG1 . . 5.170 4.894 4.849 4.976 . 0 0 "[ . 1 . 2]" 1
1147 1 12 LEU MD1 1 13 VAL MG1 . . 4.550 4.338 4.259 4.490 . 0 0 "[ . 1 . 2]" 1
1148 1 103 SER HA 1 107 SER H . . 4.830 4.331 4.191 4.491 . 0 0 "[ . 1 . 2]" 1
1149 1 103 SER HA 1 106 TRP HD1 . . 5.050 4.436 4.235 4.702 . 0 0 "[ . 1 . 2]" 1
1150 1 103 SER HA 1 106 TRP HB2 . . 5.500 4.157 3.897 4.355 . 0 0 "[ . 1 . 2]" 1
1151 1 86 ALA H 1 94 THR MG . . 5.150 4.653 4.249 5.019 . 0 0 "[ . 1 . 2]" 1
1152 1 94 THR MG 1 98 PHE H . . 5.400 4.258 3.964 4.549 . 0 0 "[ . 1 . 2]" 1
1153 1 94 THR H 1 94 THR MG . . 4.340 3.729 3.673 3.757 . 0 0 "[ . 1 . 2]" 1
1154 1 94 THR HA 1 94 THR MG . . 2.960 2.323 2.187 2.496 . 0 0 "[ . 1 . 2]" 1
1155 1 108 VAL MG2 1 109 VAL H . . 4.210 4.026 3.999 4.054 . 0 0 "[ . 1 . 2]" 1
1156 1 107 SER H 1 108 VAL MG2 . . 4.820 4.200 4.144 4.246 . 0 0 "[ . 1 . 2]" 1
1157 1 105 ALA HA 1 108 VAL MG2 . . 3.620 3.455 3.436 3.482 . 0 0 "[ . 1 . 2]" 1
1158 1 108 VAL HA 1 108 VAL MG2 . . 2.880 2.260 2.248 2.271 . 0 0 "[ . 1 . 2]" 1
1159 1 63 LEU MD1 1 108 VAL MG2 . . 3.830 3.889 3.874 3.911 0.081 9 0 "[ . 1 . 2]" 1
1160 1 63 LEU MD2 1 108 VAL MG2 . . 3.830 2.989 2.933 3.026 . 0 0 "[ . 1 . 2]" 1
1161 1 94 THR MG 1 98 PHE HB3 . . 4.340 4.042 3.553 4.396 0.056 14 0 "[ . 1 . 2]" 1
1162 1 21 VAL MG1 1 22 GLU H . . 4.240 3.938 3.897 3.983 . 0 0 "[ . 1 . 2]" 1
1163 1 21 VAL MG1 1 24 ILE H . . 5.030 4.923 4.830 5.047 0.017 12 0 "[ . 1 . 2]" 1
1164 1 70 VAL H 1 71 THR MG . . 4.760 3.692 3.615 3.754 . 0 0 "[ . 1 . 2]" 1
1165 1 71 THR MG 1 106 TRP HE3 . . 3.930 3.926 3.846 3.965 0.035 7 0 "[ . 1 . 2]" 1
1166 1 37 ILE MD 1 61 VAL MG2 . . 3.410 2.056 1.906 2.282 . 0 0 "[ . 1 . 2]" 1
1167 1 69 GLY H 1 71 THR MG . . 4.420 3.883 3.754 3.982 . 0 0 "[ . 1 . 2]" 1
1168 1 40 ILE HA 1 45 LYS H . . 4.030 3.384 3.041 3.596 . 0 0 "[ . 1 . 2]" 1
1169 1 40 ILE HA 1 46 THR HA . . 5.500 5.001 4.795 5.343 . 0 0 "[ . 1 . 2]" 1
1170 1 105 ALA H 1 108 VAL MG2 . . 5.480 4.954 4.909 4.984 . 0 0 "[ . 1 . 2]" 1
1171 1 59 TRP HZ3 1 108 VAL MG2 . . 5.000 4.466 4.405 4.522 . 0 0 "[ . 1 . 2]" 1
1172 1 46 THR MG 1 49 ASP HB2 . . 3.580 2.738 2.462 2.846 . 0 0 "[ . 1 . 2]" 1
1173 1 46 THR MG 1 81 PRO HB2 . . 4.390 4.316 4.200 4.390 0.000 9 0 "[ . 1 . 2]" 1
1174 1 61 VAL MG2 1 62 ILE H . . 4.030 4.049 4.030 4.067 0.037 10 0 "[ . 1 . 2]" 1
1175 1 64 TYR QD 1 65 LEU MD2 . . 4.790 3.486 2.598 4.784 . 0 0 "[ . 1 . 2]" 1
1176 1 65 LEU HA 1 65 LEU MD2 . . 4.280 2.583 1.941 3.733 . 0 0 "[ . 1 . 2]" 1
1177 1 70 VAL H 1 71 THR HA . . 5.260 5.098 5.035 5.146 . 0 0 "[ . 1 . 2]" 1
1178 1 97 TYR HA 1 100 ILE H . . 5.030 3.232 3.168 3.343 . 0 0 "[ . 1 . 2]" 1
1179 1 97 TYR HA 1 97 TYR QD . . 3.720 2.726 2.162 2.967 . 0 0 "[ . 1 . 2]" 1
1180 1 97 TYR HA 1 97 TYR QE . . 4.670 4.697 4.409 4.767 0.097 1 0 "[ . 1 . 2]" 1
1181 1 97 TYR HA 1 100 ILE HB . . 4.220 2.561 2.399 2.693 . 0 0 "[ . 1 . 2]" 1
1182 1 1 THR HA 1 1 THR MG . . 2.900 2.348 2.177 2.558 . 0 0 "[ . 1 . 2]" 1
1183 1 46 THR MG 1 47 TYR H . . 3.880 3.041 2.987 3.106 . 0 0 "[ . 1 . 2]" 1
1184 1 46 THR H 1 46 THR MG . . 3.270 2.323 2.235 2.487 . 0 0 "[ . 1 . 2]" 1
1185 1 46 THR HA 1 46 THR MG . . 3.380 3.205 3.188 3.214 . 0 0 "[ . 1 . 2]" 1
1186 1 46 THR MG 1 49 ASP HA . . 4.750 4.264 4.017 4.380 . 0 0 "[ . 1 . 2]" 1
1187 1 46 THR MG 1 82 ARG QG . . 4.810 4.705 4.388 4.834 0.024 4 0 "[ . 1 . 2]" 1
1188 1 40 ILE HA 1 50 VAL MG1 . . 4.920 4.104 3.759 4.541 . 0 0 "[ . 1 . 2]" 1
1189 1 105 ALA HA 1 109 VAL MG2 . . 5.400 4.861 4.811 4.888 . 0 0 "[ . 1 . 2]" 1
1190 1 109 VAL MG2 1 110 LYS HA . . 4.080 3.197 3.165 3.227 . 0 0 "[ . 1 . 2]" 1
1191 1 45 LYS QD 1 50 VAL MG1 . . 3.290 2.187 2.021 2.341 . 0 0 "[ . 1 . 2]" 1
1192 1 40 ILE MD 1 50 VAL MG1 . . 3.240 2.294 2.077 2.469 . 0 0 "[ . 1 . 2]" 1
1193 1 12 LEU MD2 1 109 VAL MG2 . . 4.910 4.666 4.391 4.819 . 0 0 "[ . 1 . 2]" 1
1194 1 99 VAL H 1 99 VAL MG2 . . 3.190 2.341 2.306 2.370 . 0 0 "[ . 1 . 2]" 1
1195 1 98 PHE HD1 1 99 VAL MG2 . . 3.630 2.076 2.059 2.103 . 0 0 "[ . 1 . 2]" 1
1196 1 99 VAL HA 1 99 VAL MG2 . . 3.160 2.254 2.235 2.269 . 0 0 "[ . 1 . 2]" 1
1197 1 99 VAL MG2 1 100 ILE HG12 . . 5.090 5.113 5.091 5.131 0.041 19 0 "[ . 1 . 2]" 1
1198 1 99 VAL MG2 1 102 LEU QD . . 3.870 3.073 2.958 3.179 . 0 0 "[ . 1 . 2]" 1
1199 1 99 VAL MG2 1 102 LEU HG . . 5.090 5.155 5.118 5.177 0.087 2 0 "[ . 1 . 2]" 1
1200 1 49 ASP HB3 1 50 VAL HA . . 4.570 4.442 4.398 4.544 . 0 0 "[ . 1 . 2]" 1
1201 1 50 VAL HA 1 50 VAL MG2 . . 3.450 3.208 3.205 3.217 . 0 0 "[ . 1 . 2]" 1
1202 1 50 VAL HA 1 50 VAL MG1 . . 2.950 2.412 2.393 2.432 . 0 0 "[ . 1 . 2]" 1
1203 1 40 ILE MD 1 50 VAL HA . . 5.340 5.096 4.870 5.311 . 0 0 "[ . 1 . 2]" 1
1204 1 29 CYS H 1 30 THR MG . . 4.510 3.775 3.531 4.184 . 0 0 "[ . 1 . 2]" 1
1205 1 30 THR MG 1 31 LYS H . . 4.170 3.838 3.089 4.226 0.056 16 0 "[ . 1 . 2]" 1
1206 1 101 THR MG 1 105 ALA H . . 5.500 4.083 3.998 4.173 . 0 0 "[ . 1 . 2]" 1
1207 1 59 TRP HZ3 1 101 THR MG . . 3.710 3.245 3.115 3.357 . 0 0 "[ . 1 . 2]" 1
1208 1 59 TRP HA 1 101 THR MG . . 3.880 2.891 2.760 2.979 . 0 0 "[ . 1 . 2]" 1
1209 1 101 THR HA 1 101 THR MG . . 2.980 2.266 2.241 2.292 . 0 0 "[ . 1 . 2]" 1
1210 1 101 THR MG 1 102 LEU QD . . 4.770 4.773 4.724 4.792 0.022 12 0 "[ . 1 . 2]" 1
1211 1 108 VAL MG1 1 109 VAL HA . . 3.460 3.231 3.185 3.290 . 0 0 "[ . 1 . 2]" 1
1212 1 26 GLU HA 1 30 THR MG . . 4.880 4.088 3.417 4.857 . 0 0 "[ . 1 . 2]" 1
1213 1 26 GLU QB 1 30 THR MG . . 4.690 3.920 3.609 4.281 . 0 0 "[ . 1 . 2]" 1
1214 1 2 VAL H 1 2 VAL MG2 . . 3.930 2.136 2.056 2.210 . 0 0 "[ . 1 . 2]" 1
1215 1 108 VAL MG1 1 109 VAL H . . 3.720 3.329 3.284 3.396 . 0 0 "[ . 1 . 2]" 1
1216 1 108 VAL H 1 108 VAL MG1 . . 3.730 3.718 3.709 3.727 . 0 0 "[ . 1 . 2]" 1
1217 1 108 VAL MG1 1 112 TYR QD . . 4.680 4.739 4.709 4.765 0.085 9 0 "[ . 1 . 2]" 1
1218 1 59 TRP HH2 1 108 VAL MG1 . . 4.460 4.319 4.215 4.406 . 0 0 "[ . 1 . 2]" 1
1219 1 108 VAL HA 1 108 VAL MG1 . . 3.050 2.471 2.446 2.493 . 0 0 "[ . 1 . 2]" 1
1220 1 13 VAL H 1 13 VAL MG2 . . 3.380 2.083 1.990 2.135 . 0 0 "[ . 1 . 2]" 1
1221 1 13 VAL MG2 1 16 ASP H . . 4.940 4.975 4.901 5.023 0.083 5 0 "[ . 1 . 2]" 1
1222 1 21 VAL MG2 1 22 GLU H . . 4.240 2.461 2.399 2.530 . 0 0 "[ . 1 . 2]" 1
1223 1 21 VAL MG2 1 24 ILE H . . 5.030 4.801 4.735 4.856 . 0 0 "[ . 1 . 2]" 1
1224 1 13 VAL MG2 1 14 LYS QE . . 3.900 3.803 3.517 4.144 0.244 15 0 "[ . 1 . 2]" 1
1225 1 5 PHE HA 1 99 VAL MG1 . . 5.390 4.523 3.762 5.086 . 0 0 "[ . 1 . 2]" 1
1226 1 99 VAL MG1 1 102 LEU H . . 5.100 4.559 4.473 4.601 . 0 0 "[ . 1 . 2]" 1
1227 1 99 VAL MG1 1 103 SER H . . 3.560 3.636 3.608 3.661 0.101 3 0 "[ . 1 . 2]" 1
1228 1 98 PHE HD1 1 99 VAL MG1 . . 4.340 4.422 4.386 4.448 0.108 9 0 "[ . 1 . 2]" 1
1229 1 99 VAL HA 1 99 VAL MG1 . . 3.200 2.450 2.424 2.489 . 0 0 "[ . 1 . 2]" 1
1230 1 99 VAL MG1 1 102 LEU HG . . 4.840 4.707 4.601 4.743 . 0 0 "[ . 1 . 2]" 1
1231 1 17 SER HA 1 69 GLY HA3 . . 4.710 4.774 4.629 4.828 0.118 4 0 "[ . 1 . 2]" 1
1232 1 59 TRP HA 1 63 LEU H . . 5.050 4.221 4.073 4.278 . 0 0 "[ . 1 . 2]" 1
1233 1 59 TRP HA 1 62 ILE HB . . 4.460 3.249 3.154 3.312 . 0 0 "[ . 1 . 2]" 1
1234 1 59 TRP HA 1 62 ILE H . . 4.860 3.755 3.697 3.795 . 0 0 "[ . 1 . 2]" 1
1235 1 60 HIS HA 1 60 HIS HD2 . . 5.110 4.554 4.528 4.569 . 0 0 "[ . 1 . 2]" 1
1236 1 59 TRP HA 1 60 HIS HA . . 4.890 4.730 4.718 4.738 . 0 0 "[ . 1 . 2]" 1
1237 1 60 HIS HA 1 63 LEU HB2 . . 3.750 2.886 2.835 2.922 . 0 0 "[ . 1 . 2]" 1
1238 1 60 HIS HA 1 63 LEU MD1 . . 4.430 3.398 3.320 3.493 . 0 0 "[ . 1 . 2]" 1
1239 1 60 HIS HA 1 63 LEU MD2 . . 4.430 4.113 4.049 4.196 . 0 0 "[ . 1 . 2]" 1
1240 1 22 GLU HA 1 25 LYS QE . . 5.500 5.526 5.413 5.589 0.089 12 0 "[ . 1 . 2]" 1
1241 1 22 GLU HA 1 22 GLU QG . . 3.500 3.332 3.326 3.339 . 0 0 "[ . 1 . 2]" 1
1242 1 70 VAL H 1 70 VAL MG1 . . 4.100 1.979 1.885 2.066 . 0 0 "[ . 1 . 2]" 1
1243 1 70 VAL MG1 1 71 THR H . . 4.330 3.970 3.853 4.114 . 0 0 "[ . 1 . 2]" 1
1244 1 70 VAL MG1 1 71 THR HA . . 4.260 3.952 3.834 4.085 . 0 0 "[ . 1 . 2]" 1
1245 1 24 ILE HA 1 70 VAL MG1 . . 5.500 4.967 4.833 5.061 . 0 0 "[ . 1 . 2]" 1
1246 1 47 TYR HA 1 81 PRO HB2 . . 4.960 5.007 4.914 5.060 0.100 5 0 "[ . 1 . 2]" 1
1247 1 25 LYS HB3 1 26 GLU HA . . 4.980 4.580 4.292 4.675 . 0 0 "[ . 1 . 2]" 1
1248 1 25 LYS H 1 26 GLU HA . . 5.500 5.311 5.278 5.399 . 0 0 "[ . 1 . 2]" 1
1249 1 59 TRP HZ3 1 104 LYS HA . . 5.370 4.620 4.562 4.673 . 0 0 "[ . 1 . 2]" 1
1250 1 104 LYS HA 1 104 LYS HG3 . . 3.790 2.960 2.915 3.182 . 0 0 "[ . 1 . 2]" 1
1251 1 104 LYS HA 1 104 LYS HG2 . . 3.410 2.362 2.183 2.425 . 0 0 "[ . 1 . 2]" 1
1252 1 94 THR MG 1 98 PHE HA . . 5.270 5.154 4.829 5.427 0.157 15 0 "[ . 1 . 2]" 1
1253 1 104 LYS HA 1 105 ALA MB . . 5.500 5.005 4.991 5.020 . 0 0 "[ . 1 . 2]" 1
1254 1 12 LEU HA 1 12 LEU MD2 . . 2.980 1.961 1.943 1.973 . 0 0 "[ . 1 . 2]" 1
1255 1 12 LEU MD2 1 102 LEU HG . . 4.920 3.966 3.854 4.155 . 0 0 "[ . 1 . 2]" 1
1256 1 40 ILE MG 1 46 THR HA . . 4.640 3.504 3.318 3.654 . 0 0 "[ . 1 . 2]" 1
1257 1 27 GLU HA 1 28 ILE HA . . 4.920 4.819 4.794 4.860 . 0 0 "[ . 1 . 2]" 1
1258 1 23 LYS QE 1 27 GLU HA . . 4.850 4.688 4.590 4.847 . 0 0 "[ . 1 . 2]" 1
1259 1 110 LYS HA 1 112 TYR H . . 4.540 4.004 3.920 4.111 . 0 0 "[ . 1 . 2]" 1
1260 1 110 LYS HA 1 113 LEU HA . . 5.500 5.575 5.545 5.593 0.093 10 0 "[ . 1 . 2]" 1
1261 1 110 LYS HA 1 110 LYS HG3 . . 4.090 3.749 3.725 3.762 . 0 0 "[ . 1 . 2]" 1
1262 1 70 VAL MG2 1 71 THR HA . . 4.260 3.735 3.650 3.816 . 0 0 "[ . 1 . 2]" 1
1263 1 12 LEU MD2 1 106 TRP H . . 5.500 4.892 4.831 4.953 . 0 0 "[ . 1 . 2]" 1
1264 1 14 LYS HA 1 15 ARG HA . . 5.130 4.657 4.615 4.711 . 0 0 "[ . 1 . 2]" 1
1265 1 7 GLU HA 1 8 LEU HA . . 5.000 4.782 4.758 4.802 . 0 0 "[ . 1 . 2]" 1
1266 1 14 LYS HA 1 14 LYS QE . . 4.690 3.196 2.472 4.237 . 0 0 "[ . 1 . 2]" 1
1267 1 7 GLU HA 1 10 LYS HB3 . . 4.580 4.290 4.171 4.568 . 0 0 "[ . 1 . 2]" 1
1268 1 67 LYS HA 1 69 GLY H . . 5.010 3.735 3.661 3.801 . 0 0 "[ . 1 . 2]" 1
1269 1 67 LYS HA 1 67 LYS HG3 . . 4.230 2.981 2.932 3.030 . 0 0 "[ . 1 . 2]" 1
1270 1 47 TYR QD 1 54 ARG HA . . 5.500 2.481 2.389 2.680 . 0 0 "[ . 1 . 2]" 1
1271 1 47 TYR HB2 1 54 ARG HA . . 4.710 3.657 3.304 3.895 . 0 0 "[ . 1 . 2]" 1
1272 1 47 TYR HB3 1 54 ARG HA . . 4.400 3.471 3.094 3.773 . 0 0 "[ . 1 . 2]" 1
1273 1 47 TYR QD 1 50 VAL MG2 . . 3.360 2.806 2.708 2.902 . 0 0 "[ . 1 . 2]" 1
1274 1 47 TYR HA 1 50 VAL MG2 . . 3.180 2.123 2.058 2.176 . 0 0 "[ . 1 . 2]" 1
1275 1 47 TYR HB3 1 50 VAL MG2 . . 4.660 3.660 3.562 3.710 . 0 0 "[ . 1 . 2]" 1
1276 1 50 VAL MG2 1 52 ILE HB . . 3.060 2.400 2.248 2.503 . 0 0 "[ . 1 . 2]" 1
1277 1 40 ILE MD 1 50 VAL MG2 . . 3.050 2.137 2.044 2.299 . 0 0 "[ . 1 . 2]" 1
1278 1 70 VAL MG2 1 71 THR H . . 4.330 2.595 2.513 2.724 . 0 0 "[ . 1 . 2]" 1
1279 1 24 ILE HA 1 70 VAL MG2 . . 5.500 5.299 5.179 5.523 0.023 12 0 "[ . 1 . 2]" 1
1280 1 56 ARG HA 1 56 ARG HG2 . . 3.990 3.224 3.180 3.271 . 0 0 "[ . 1 . 2]" 1
1281 1 13 VAL H 1 14 LYS HA . . 5.370 5.289 5.243 5.320 . 0 0 "[ . 1 . 2]" 1
1282 1 14 LYS HA 1 14 LYS HG3 . . 3.820 2.856 2.482 3.212 . 0 0 "[ . 1 . 2]" 1
1283 1 13 VAL MG2 1 14 LYS HA . . 3.850 3.413 3.352 3.461 . 0 0 "[ . 1 . 2]" 1
1284 1 14 LYS HA 1 14 LYS QD . . 4.210 3.161 2.104 4.229 0.019 9 0 "[ . 1 . 2]" 1
1285 1 63 LEU HA 1 108 VAL HB . . 5.500 5.550 5.506 5.566 0.066 1 0 "[ . 1 . 2]" 1
1286 1 56 ARG HA 1 59 TRP HB2 . . 5.500 3.632 3.510 3.738 . 0 0 "[ . 1 . 2]" 1
1287 1 56 ARG HA 1 59 TRP HB3 . . 5.500 3.138 3.052 3.208 . 0 0 "[ . 1 . 2]" 1
1288 1 52 ILE MD 1 56 ARG HA . . 5.500 5.197 4.976 5.386 . 0 0 "[ . 1 . 2]" 1
1289 1 65 LEU HA 1 68 HIS H . . 4.960 3.145 3.049 3.228 . 0 0 "[ . 1 . 2]" 1
1290 1 63 LEU HA 1 66 MET HB2 . . 5.130 3.048 2.960 3.121 . 0 0 "[ . 1 . 2]" 1
1291 1 63 LEU HA 1 66 MET ME . . 5.070 3.824 3.045 4.066 . 0 0 "[ . 1 . 2]" 1
1292 1 63 LEU HA 1 66 MET HB3 . . 5.130 4.625 4.555 4.744 . 0 0 "[ . 1 . 2]" 1
1293 1 63 LEU HA 1 63 LEU HG . . 3.850 2.167 2.143 2.195 . 0 0 "[ . 1 . 2]" 1
1294 1 62 ILE MG 1 63 LEU HA . . 3.990 3.230 3.185 3.288 . 0 0 "[ . 1 . 2]" 1
1295 1 66 MET ME 1 106 TRP H . . 3.230 2.556 2.509 2.592 . 0 0 "[ . 1 . 2]" 1
1296 1 66 MET H 1 66 MET ME . . 4.610 4.244 3.891 4.396 . 0 0 "[ . 1 . 2]" 1
1297 1 66 MET ME 1 103 SER H . . 5.340 5.278 5.189 5.421 0.081 15 0 "[ . 1 . 2]" 1
1298 1 66 MET ME 1 109 VAL H . . 5.500 5.188 4.269 5.459 . 0 0 "[ . 1 . 2]" 1
1299 1 66 MET ME 1 106 TRP HZ3 . . 5.410 4.619 4.296 4.812 . 0 0 "[ . 1 . 2]" 1
1300 1 66 MET ME 1 105 ALA HA . . 4.920 4.455 4.051 4.622 . 0 0 "[ . 1 . 2]" 1
1301 1 66 MET ME 1 102 LEU HA . . 3.200 3.048 2.950 3.236 0.036 7 0 "[ . 1 . 2]" 1
1302 1 66 MET ME 1 106 TRP HB2 . . 3.050 2.081 2.011 2.122 . 0 0 "[ . 1 . 2]" 1
1303 1 66 MET ME 1 66 MET HG2 . . 3.260 2.567 2.350 3.362 0.102 19 0 "[ . 1 . 2]" 1
1304 1 66 MET ME 1 66 MET HG3 . . 3.260 2.537 2.328 2.615 . 0 0 "[ . 1 . 2]" 1
1305 1 62 ILE MG 1 66 MET ME . . 2.870 1.992 1.918 2.035 . 0 0 "[ . 1 . 2]" 1
1306 1 66 MET ME 1 102 LEU QD . . 2.720 1.942 1.871 2.073 . 0 0 "[ . 1 . 2]" 1
1307 1 12 LEU MD2 1 66 MET ME . . 3.440 3.018 2.741 3.465 0.025 19 0 "[ . 1 . 2]" 1
1308 1 85 LYS H 1 86 ALA MB . . 4.920 4.165 4.101 4.253 . 0 0 "[ . 1 . 2]" 1
1309 1 28 ILE HA 1 29 CYS HA . . 4.770 4.705 4.628 4.767 . 0 0 "[ . 1 . 2]" 1
1310 1 28 ILE MG 1 29 CYS HA . . 3.880 3.237 3.090 3.469 . 0 0 "[ . 1 . 2]" 1
1311 1 4 GLU HA 1 4 GLU QG . . 3.390 2.632 2.304 3.002 . 0 0 "[ . 1 . 2]" 1
1312 1 3 VAL MG1 1 4 GLU HA . . 5.500 3.454 3.286 3.699 . 0 0 "[ . 1 . 2]" 1
1313 1 3 VAL MG2 1 4 GLU HA . . 5.500 4.524 3.942 5.514 0.014 9 0 "[ . 1 . 2]" 1
1314 1 82 ARG HA 1 82 ARG QG . . 3.400 2.458 2.395 2.542 . 0 0 "[ . 1 . 2]" 1
1315 1 59 TRP HZ3 1 102 LEU HA . . 5.500 5.545 5.476 5.597 0.097 1 0 "[ . 1 . 2]" 1
1316 1 99 VAL HA 1 102 LEU HA . . 5.500 5.049 4.956 5.112 . 0 0 "[ . 1 . 2]" 1
1317 1 102 LEU HA 1 102 LEU QD . . 3.360 2.101 2.075 2.136 . 0 0 "[ . 1 . 2]" 1
1318 1 86 ALA MB 1 97 TYR QD . . 4.340 3.331 2.814 4.402 0.062 17 0 "[ . 1 . 2]" 1
1319 1 86 ALA MB 1 98 PHE HA . . 3.070 2.880 2.339 3.141 0.071 20 0 "[ . 1 . 2]" 1
1320 1 62 ILE HG12 1 86 ALA MB . . 5.500 5.434 5.217 5.577 0.077 20 0 "[ . 1 . 2]" 1
1321 1 86 ALA MB 1 94 THR MG . . 3.880 3.413 2.982 3.883 0.003 4 0 "[ . 1 . 2]" 1
1322 1 62 ILE MD 1 86 ALA MB . . 3.700 3.501 3.282 3.735 0.035 20 0 "[ . 1 . 2]" 1
1323 1 110 LYS HG2 1 111 LYS HA . . 4.860 4.440 4.344 4.484 . 0 0 "[ . 1 . 2]" 1
1324 1 87 LYS H 1 88 GLU HA . . 5.150 4.547 4.515 4.587 . 0 0 "[ . 1 . 2]" 1
1325 1 87 LYS HA 1 88 GLU HA . . 4.620 4.581 4.492 4.706 0.086 6 0 "[ . 1 . 2]" 1
1326 1 8 LEU HA 1 11 GLU HA . . 5.500 5.369 5.251 5.566 0.066 18 0 "[ . 1 . 2]" 1
1327 1 8 LEU HA 1 8 LEU HG . . 3.930 3.193 3.168 3.219 . 0 0 "[ . 1 . 2]" 1
1328 1 11 GLU HA 1 12 LEU HA . . 5.040 4.760 4.734 4.789 . 0 0 "[ . 1 . 2]" 1
1329 1 12 LEU HA 1 15 ARG HB3 . . 5.500 4.479 4.346 4.646 . 0 0 "[ . 1 . 2]" 1
1330 1 12 LEU HA 1 15 ARG HB2 . . 5.500 2.810 2.659 2.992 . 0 0 "[ . 1 . 2]" 1
1331 1 12 LEU HA 1 12 LEU HG . . 4.110 3.032 2.989 3.068 . 0 0 "[ . 1 . 2]" 1
1332 1 104 LYS H 1 105 ALA MB . . 4.490 4.166 4.134 4.192 . 0 0 "[ . 1 . 2]" 1
1333 1 105 ALA MB 1 109 VAL H . . 5.390 4.756 4.685 4.779 . 0 0 "[ . 1 . 2]" 1
1334 1 63 LEU H 1 105 ALA MB . . 4.490 3.587 3.548 3.669 . 0 0 "[ . 1 . 2]" 1
1335 1 59 TRP HE3 1 105 ALA MB . . 4.180 3.308 3.257 3.367 . 0 0 "[ . 1 . 2]" 1
1336 1 59 TRP HH2 1 105 ALA MB . . 4.190 3.998 3.950 4.053 . 0 0 "[ . 1 . 2]" 1
1337 1 102 LEU HA 1 105 ALA MB . . 3.510 2.476 2.276 2.577 . 0 0 "[ . 1 . 2]" 1
1338 1 63 LEU HA 1 105 ALA MB . . 4.150 3.007 2.908 3.059 . 0 0 "[ . 1 . 2]" 1
1339 1 105 ALA MB 1 108 VAL HB . . 4.580 4.401 4.366 4.434 . 0 0 "[ . 1 . 2]" 1
1340 1 66 MET ME 1 105 ALA MB . . 3.330 2.262 2.205 2.351 . 0 0 "[ . 1 . 2]" 1
1341 1 63 LEU MD2 1 105 ALA MB . . 3.990 3.607 3.584 3.637 . 0 0 "[ . 1 . 2]" 1
1342 1 47 TYR QE 1 58 ASP HA . . 4.260 3.876 3.440 4.038 . 0 0 "[ . 1 . 2]" 1
1343 1 58 ASP HA 1 61 VAL HA . . 5.500 5.576 5.283 5.687 0.187 10 0 "[ . 1 . 2]" 1
1344 1 58 ASP HA 1 61 VAL HB . . 4.520 2.643 2.342 2.761 . 0 0 "[ . 1 . 2]" 1
1345 1 58 ASP HA 1 61 VAL MG2 . . 4.180 3.610 3.423 3.803 . 0 0 "[ . 1 . 2]" 1
1346 1 58 ASP HA 1 62 ILE HG13 . . 4.540 3.508 3.345 3.753 . 0 0 "[ . 1 . 2]" 1
1347 1 48 ALA MB 1 49 ASP HA . . 3.870 3.956 3.938 3.975 0.105 4 0 "[ . 1 . 2]" 1
1348 1 49 ASP HA 1 50 VAL MG1 . . 4.850 4.516 4.430 4.612 . 0 0 "[ . 1 . 2]" 1
1349 1 12 LEU HA 1 13 VAL HA . . 4.890 4.730 4.712 4.802 . 0 0 "[ . 1 . 2]" 1
1350 1 47 TYR H 1 48 ALA MB . . 4.640 4.420 4.376 4.443 . 0 0 "[ . 1 . 2]" 1
1351 1 48 ALA MB 1 50 VAL H . . 4.630 4.566 4.455 4.650 0.020 11 0 "[ . 1 . 2]" 1
1352 1 47 TYR QD 1 48 ALA MB . . 5.500 5.503 5.431 5.543 0.043 12 0 "[ . 1 . 2]" 1
1353 1 48 ALA MB 1 49 ASP HB2 . . 4.690 4.189 4.113 4.267 . 0 0 "[ . 1 . 2]" 1
1354 1 46 THR MG 1 48 ALA MB . . 3.530 2.307 2.222 2.460 . 0 0 "[ . 1 . 2]" 1
1355 1 48 ALA MB 1 50 VAL MG2 . . 5.300 5.135 5.080 5.203 . 0 0 "[ . 1 . 2]" 1
1356 1 24 ILE MG 1 28 ILE H . . 4.380 3.859 3.724 3.984 . 0 0 "[ . 1 . 2]" 1
1357 1 24 ILE MG 1 25 LYS H . . 3.690 3.419 3.360 3.591 . 0 0 "[ . 1 . 2]" 1
1358 1 24 ILE H 1 24 ILE MG . . 3.840 3.746 3.738 3.753 . 0 0 "[ . 1 . 2]" 1
1359 1 24 ILE HA 1 24 ILE MG . . 2.960 2.401 2.359 2.427 . 0 0 "[ . 1 . 2]" 1
1360 1 24 ILE MG 1 25 LYS QE . . 5.470 5.370 4.797 5.498 0.028 9 0 "[ . 1 . 2]" 1
1361 1 24 ILE MG 1 70 VAL HB . . 4.120 3.221 2.989 3.539 . 0 0 "[ . 1 . 2]" 1
1362 1 24 ILE MG 1 28 ILE HG12 . . 4.060 2.493 2.312 2.611 . 0 0 "[ . 1 . 2]" 1
1363 1 62 ILE H 1 76 ILE MG . . 5.090 4.709 4.613 4.792 . 0 0 "[ . 1 . 2]" 1
1364 1 76 ILE H 1 76 ILE MG . . 3.970 3.722 3.708 3.733 . 0 0 "[ . 1 . 2]" 1
1365 1 62 ILE HG12 1 76 ILE MG . . 3.600 2.094 2.044 2.163 . 0 0 "[ . 1 . 2]" 1
1366 1 76 ILE MG 1 102 LEU QD . . 3.830 2.758 2.618 2.880 . 0 0 "[ . 1 . 2]" 1
1367 1 40 ILE MG 1 47 TYR QD . . 4.480 3.900 3.628 4.015 . 0 0 "[ . 1 . 2]" 1
1368 1 40 ILE MG 1 47 TYR QE . . 4.620 3.076 2.871 3.272 . 0 0 "[ . 1 . 2]" 1
1369 1 40 ILE MG 1 47 TYR HA . . 4.670 4.662 4.415 4.756 0.086 7 0 "[ . 1 . 2]" 1
1370 1 40 ILE HA 1 40 ILE MG . . 3.250 2.446 2.371 2.512 . 0 0 "[ . 1 . 2]" 1
1371 1 40 ILE MG 1 41 ILE QG . . 4.670 2.500 2.279 2.727 . 0 0 "[ . 1 . 2]" 1
1372 1 40 ILE MG 1 45 LYS HG2 . . 5.340 4.125 3.878 4.488 . 0 0 "[ . 1 . 2]" 1
1373 1 40 ILE MG 1 45 LYS QD . . 5.070 4.618 4.292 4.937 . 0 0 "[ . 1 . 2]" 1
1374 1 40 ILE MG 1 61 VAL MG1 . . 3.800 3.546 3.320 3.800 0.000 8 0 "[ . 1 . 2]" 1
1375 1 40 ILE MD 1 40 ILE MG . . 2.970 1.975 1.936 2.010 . 0 0 "[ . 1 . 2]" 1
1376 1 40 ILE H 1 40 ILE MG . . 3.800 3.736 3.711 3.770 . 0 0 "[ . 1 . 2]" 1
1377 1 40 ILE MG 1 42 CYS H . . 5.020 4.970 4.882 5.075 0.055 16 0 "[ . 1 . 2]" 1
1378 1 40 ILE MG 1 81 PRO HB2 . . 4.130 3.683 3.580 3.894 . 0 0 "[ . 1 . 2]" 1
1379 1 62 ILE H 1 62 ILE MG . . 3.820 3.723 3.714 3.733 . 0 0 "[ . 1 . 2]" 1
1380 1 62 ILE MG 1 66 MET H . . 4.420 4.348 4.293 4.413 . 0 0 "[ . 1 . 2]" 1
1381 1 62 ILE MG 1 102 LEU H . . 5.000 4.529 4.287 4.674 . 0 0 "[ . 1 . 2]" 1
1382 1 59 TRP HZ3 1 62 ILE MG . . 5.440 5.276 5.141 5.413 . 0 0 "[ . 1 . 2]" 1
1383 1 62 ILE MG 1 102 LEU HA . . 3.930 2.416 2.219 2.562 . 0 0 "[ . 1 . 2]" 1
1384 1 62 ILE HA 1 62 ILE MG . . 3.480 2.508 2.482 2.529 . 0 0 "[ . 1 . 2]" 1
1385 1 62 ILE MG 1 66 MET HG2 . . 4.230 4.225 4.156 4.345 0.115 15 0 "[ . 1 . 2]" 1
1386 1 62 ILE MG 1 105 ALA MB . . 2.970 1.985 1.907 2.054 . 0 0 "[ . 1 . 2]" 1
1387 1 62 ILE MG 1 102 LEU QD . . 3.140 2.421 2.180 2.606 . 0 0 "[ . 1 . 2]" 1
1388 1 62 ILE MG 1 102 LEU HG . . 5.280 4.546 4.313 4.746 . 0 0 "[ . 1 . 2]" 1
1389 1 62 ILE MG 1 66 MET HG3 . . 4.230 3.262 3.048 3.359 . 0 0 "[ . 1 . 2]" 1
1390 1 97 TYR HA 1 100 ILE MG . . 4.000 3.937 3.819 4.019 0.019 6 0 "[ . 1 . 2]" 1
1391 1 41 ILE MG 1 42 CYS HA . . 3.880 3.349 3.239 3.410 . 0 0 "[ . 1 . 2]" 1
1392 1 25 LYS QE 1 41 ILE MG . . 3.820 2.260 1.925 2.618 . 0 0 "[ . 1 . 2]" 1
1393 1 25 LYS HB3 1 41 ILE MG . . 4.150 3.361 2.995 4.277 0.127 8 0 "[ . 1 . 2]" 1
1394 1 41 ILE QG 1 41 ILE MG . . 3.260 2.307 2.259 2.374 . 0 0 "[ . 1 . 2]" 1
1395 1 41 ILE MG 1 64 TYR QE . . 4.470 4.519 4.344 4.624 0.154 6 0 "[ . 1 . 2]" 1
1396 1 28 ILE MG 1 41 ILE MG . . 2.930 2.085 1.942 2.274 . 0 0 "[ . 1 . 2]" 1
1397 1 100 ILE H 1 100 ILE MG . . 3.790 3.741 3.727 3.749 . 0 0 "[ . 1 . 2]" 1
1398 1 100 ILE MG 1 104 LYS QE . . 5.500 4.182 2.946 4.502 . 0 0 "[ . 1 . 2]" 1
1399 1 100 ILE HG12 1 100 ILE MG . . 3.340 3.221 3.216 3.225 . 0 0 "[ . 1 . 2]" 1
1400 1 28 ILE H 1 28 ILE MG . . 3.770 3.707 3.672 3.740 . 0 0 "[ . 1 . 2]" 1
1401 1 28 ILE MG 1 64 TYR QD . . 4.960 4.067 3.897 4.202 . 0 0 "[ . 1 . 2]" 1
1402 1 28 ILE MG 1 64 TYR QE . . 3.540 2.193 1.995 2.476 . 0 0 "[ . 1 . 2]" 1
1403 1 28 ILE HA 1 28 ILE MG . . 3.220 2.494 2.429 2.551 . 0 0 "[ . 1 . 2]" 1
1404 1 25 LYS QE 1 28 ILE MG . . 5.290 4.867 4.429 5.152 . 0 0 "[ . 1 . 2]" 1
1405 1 28 ILE MG 1 41 ILE HB . . 3.960 2.634 2.221 3.044 . 0 0 "[ . 1 . 2]" 1
1406 1 28 ILE HG13 1 28 ILE MG . . 3.340 2.510 2.466 2.556 . 0 0 "[ . 1 . 2]" 1
1407 1 79 LEU HA 1 79 LEU HG . . 3.720 3.099 2.936 3.155 . 0 0 "[ . 1 . 2]" 1
1408 1 52 ILE MG 1 57 GLY H . . 4.440 3.715 3.575 3.851 . 0 0 "[ . 1 . 2]" 1
1409 1 52 ILE MG 1 53 ASP H . . 4.320 3.552 3.498 3.628 . 0 0 "[ . 1 . 2]" 1
1410 1 47 TYR QD 1 52 ILE MG . . 3.140 2.181 2.137 2.220 . 0 0 "[ . 1 . 2]" 1
1411 1 47 TYR HA 1 52 ILE MG . . 3.910 2.489 2.446 2.541 . 0 0 "[ . 1 . 2]" 1
1412 1 52 ILE MG 1 54 ARG HA . . 4.030 3.693 3.372 3.915 . 0 0 "[ . 1 . 2]" 1
1413 1 52 ILE MG 1 57 GLY HA2 . . 4.460 3.778 3.534 4.014 . 0 0 "[ . 1 . 2]" 1
1414 1 47 TYR HB2 1 52 ILE MG . . 3.710 3.564 3.488 3.606 . 0 0 "[ . 1 . 2]" 1
1415 1 47 TYR HB3 1 52 ILE MG . . 3.420 2.164 2.086 2.217 . 0 0 "[ . 1 . 2]" 1
1416 1 50 VAL HB 1 52 ILE MG . . 4.080 4.103 4.077 4.133 0.053 19 0 "[ . 1 . 2]" 1
1417 1 77 LEU MD1 1 87 LYS HA . . 5.500 3.657 3.392 3.885 . 0 0 "[ . 1 . 2]" 1
1418 1 59 TRP HZ2 1 105 ALA HA . . 5.190 3.881 3.825 3.954 . 0 0 "[ . 1 . 2]" 1
1419 1 105 ALA HA 1 108 VAL HB . . 4.080 3.056 3.007 3.100 . 0 0 "[ . 1 . 2]" 1
1420 1 104 LYS HB3 1 105 ALA HA . . 4.640 4.492 4.456 4.522 . 0 0 "[ . 1 . 2]" 1
1421 1 63 LEU HG 1 105 ALA HA . . 4.330 2.975 2.911 3.014 . 0 0 "[ . 1 . 2]" 1
1422 1 77 LEU MD2 1 87 LYS HA . . 5.500 5.305 5.196 5.490 . 0 0 "[ . 1 . 2]" 1
1423 1 15 ARG HA 1 15 ARG HD2 . . 4.040 3.248 3.143 3.368 . 0 0 "[ . 1 . 2]" 1
1424 1 15 ARG HA 1 15 ARG QG . . 3.550 2.719 2.659 2.780 . 0 0 "[ . 1 . 2]" 1
1425 1 15 ARG HA 1 71 THR MG . . 4.810 4.404 4.301 4.468 . 0 0 "[ . 1 . 2]" 1
1426 1 48 ALA HA 1 50 VAL H . . 4.770 4.054 3.827 4.260 . 0 0 "[ . 1 . 2]" 1
1427 1 47 TYR HA 1 48 ALA HA . . 5.330 4.760 4.738 4.782 . 0 0 "[ . 1 . 2]" 1
1428 1 48 ALA HA 1 49 ASP HA . . 5.500 4.733 4.723 4.751 . 0 0 "[ . 1 . 2]" 1
1429 1 43 GLU H 1 44 ASN HA . . 4.900 4.089 4.000 4.346 . 0 0 "[ . 1 . 2]" 1
1430 1 40 ILE HA 1 44 ASN HA . . 5.450 5.059 4.501 5.442 . 0 0 "[ . 1 . 2]" 1
1431 1 40 ILE MG 1 44 ASN HA . . 4.780 4.519 4.176 4.718 . 0 0 "[ . 1 . 2]" 1
1432 1 21 VAL H 1 24 ILE MD . . 5.290 5.350 5.324 5.374 0.084 20 0 "[ . 1 . 2]" 1
1433 1 24 ILE MD 1 75 LYS QE . . 4.380 4.035 3.844 4.354 . 0 0 "[ . 1 . 2]" 1
1434 1 24 ILE MD 1 25 LYS H . . 4.740 4.668 4.634 4.688 . 0 0 "[ . 1 . 2]" 1
1435 1 23 LYS H 1 24 ILE MD . . 4.690 4.603 4.517 4.667 . 0 0 "[ . 1 . 2]" 1
1436 1 24 ILE HA 1 24 ILE MD . . 3.010 2.011 1.967 2.042 . 0 0 "[ . 1 . 2]" 1
1437 1 23 LYS HB3 1 24 ILE MD . . 3.670 3.647 3.481 3.699 0.029 8 0 "[ . 1 . 2]" 1
1438 1 24 ILE MD 1 75 LYS QD . . 3.570 3.401 3.214 3.563 . 0 0 "[ . 1 . 2]" 1
1439 1 52 ILE MD 1 57 GLY H . . 3.840 3.659 3.503 3.836 . 0 0 "[ . 1 . 2]" 1
1440 1 52 ILE MD 1 53 ASP H . . 3.900 3.859 3.795 3.908 0.008 17 0 "[ . 1 . 2]" 1
1441 1 47 TYR QD 1 52 ILE MD . . 4.220 3.844 3.763 3.926 . 0 0 "[ . 1 . 2]" 1
1442 1 47 TYR QE 1 52 ILE MD . . 4.600 4.042 3.902 4.214 . 0 0 "[ . 1 . 2]" 1
1443 1 52 ILE MD 1 57 GLY HA2 . . 3.460 2.618 2.421 2.911 . 0 0 "[ . 1 . 2]" 1
1444 1 52 ILE MD 1 57 GLY HA3 . . 3.750 3.076 2.836 3.368 . 0 0 "[ . 1 . 2]" 1
1445 1 50 VAL HB 1 52 ILE MD . . 5.450 4.898 4.735 5.029 . 0 0 "[ . 1 . 2]" 1
1446 1 52 ILE MD 1 56 ARG QB . . 4.340 3.560 3.435 3.680 . 0 0 "[ . 1 . 2]" 1
1447 1 28 ILE MD 1 29 CYS H . . 5.040 4.868 4.829 4.912 . 0 0 "[ . 1 . 2]" 1
1448 1 28 ILE H 1 28 ILE MD . . 3.950 3.748 3.680 3.835 . 0 0 "[ . 1 . 2]" 1
1449 1 28 ILE MD 1 64 TYR QD . . 3.970 3.321 3.206 3.449 . 0 0 "[ . 1 . 2]" 1
1450 1 28 ILE MD 1 64 TYR QE . . 3.410 2.013 1.886 2.150 . 0 0 "[ . 1 . 2]" 1
1451 1 28 ILE MD 1 65 LEU HA . . 4.160 3.133 2.918 3.363 . 0 0 "[ . 1 . 2]" 1
1452 1 28 ILE MD 1 41 ILE MG . . 4.280 3.365 2.984 3.739 . 0 0 "[ . 1 . 2]" 1
1453 1 62 ILE H 1 62 ILE MD . . 3.830 3.603 3.471 3.680 . 0 0 "[ . 1 . 2]" 1
1454 1 62 ILE MD 1 63 LEU H . . 4.940 4.748 4.626 4.826 . 0 0 "[ . 1 . 2]" 1
1455 1 58 ASP HA 1 62 ILE MD . . 5.030 3.892 3.775 4.053 . 0 0 "[ . 1 . 2]" 1
1456 1 59 TRP HA 1 62 ILE MD . . 4.500 3.526 3.201 3.754 . 0 0 "[ . 1 . 2]" 1
1457 1 62 ILE HA 1 62 ILE MD . . 3.910 3.781 3.761 3.810 . 0 0 "[ . 1 . 2]" 1
1458 1 58 ASP HB3 1 62 ILE MD . . 4.490 3.127 2.518 4.101 . 0 0 "[ . 1 . 2]" 1
1459 1 62 ILE HB 1 62 ILE MD . . 3.410 2.363 2.332 2.391 . 0 0 "[ . 1 . 2]" 1
1460 1 62 ILE MD 1 101 THR MG . . 3.090 2.241 2.131 2.351 . 0 0 "[ . 1 . 2]" 1
1461 1 62 ILE MD 1 102 LEU QD . . 3.830 3.233 3.008 3.402 . 0 0 "[ . 1 . 2]" 1
1462 1 62 ILE MD 1 102 LEU HG . . 5.500 5.384 5.117 5.544 0.044 14 0 "[ . 1 . 2]" 1
1463 1 66 MET H 1 76 ILE MD . . 4.880 4.159 3.977 4.437 . 0 0 "[ . 1 . 2]" 1
1464 1 76 ILE MD 1 77 LEU H . . 4.850 4.584 4.463 4.720 . 0 0 "[ . 1 . 2]" 1
1465 1 76 ILE H 1 76 ILE MD . . 3.990 3.556 3.493 3.658 . 0 0 "[ . 1 . 2]" 1
1466 1 76 ILE HA 1 76 ILE MD . . 3.860 3.799 3.753 3.820 . 0 0 "[ . 1 . 2]" 1
1467 1 66 MET HG2 1 76 ILE MD . . 3.950 2.754 2.276 3.048 . 0 0 "[ . 1 . 2]" 1
1468 1 66 MET HG3 1 76 ILE MD . . 3.950 2.753 2.511 2.968 . 0 0 "[ . 1 . 2]" 1
1469 1 62 ILE HG12 1 76 ILE MD . . 4.330 3.780 3.632 3.969 . 0 0 "[ . 1 . 2]" 1
1470 1 66 MET ME 1 76 ILE MD . . 3.180 2.364 2.073 3.111 . 0 0 "[ . 1 . 2]" 1
1471 1 76 ILE HB 1 76 ILE MD . . 3.370 2.364 2.331 2.409 . 0 0 "[ . 1 . 2]" 1
1472 1 76 ILE MD 1 102 LEU QD . . 3.190 2.223 2.071 2.297 . 0 0 "[ . 1 . 2]" 1
1473 1 76 ILE MD 1 102 LEU HG . . 4.600 4.581 4.379 4.630 0.030 17 0 "[ . 1 . 2]" 1
1474 1 12 LEU MD2 1 76 ILE MD . . 4.480 3.691 3.477 3.915 . 0 0 "[ . 1 . 2]" 1
1475 1 97 TYR QD 1 100 ILE MD . . 5.500 5.522 4.803 5.594 0.094 1 0 "[ . 1 . 2]" 1
1476 1 97 TYR HA 1 100 ILE MD . . 4.620 4.523 4.345 4.659 0.039 19 0 "[ . 1 . 2]" 1
1477 1 100 ILE HA 1 100 ILE MD . . 3.580 1.974 1.939 1.997 . 0 0 "[ . 1 . 2]" 1
1478 1 100 ILE HB 1 100 ILE MD . . 3.270 3.255 3.250 3.262 . 0 0 "[ . 1 . 2]" 1
1479 1 99 VAL MG1 1 100 ILE MD . . 3.270 3.311 3.288 3.329 0.059 6 0 "[ . 1 . 2]" 1
1480 1 100 ILE MD 1 101 THR H . . 4.690 4.706 4.692 4.727 0.037 14 0 "[ . 1 . 2]" 1
1481 1 40 ILE H 1 41 ILE MD . . 5.500 5.296 5.038 5.521 0.021 18 0 "[ . 1 . 2]" 1
1482 1 41 ILE MD 1 42 CYS H . . 5.170 4.972 4.755 5.166 . 0 0 "[ . 1 . 2]" 1
1483 1 41 ILE MD 1 64 TYR QE . . 4.660 3.342 2.800 4.115 . 0 0 "[ . 1 . 2]" 1
1484 1 41 ILE MD 1 61 VAL HA . . 5.290 4.146 3.619 4.494 . 0 0 "[ . 1 . 2]" 1
1485 1 41 ILE HB 1 41 ILE MD . . 3.300 2.361 2.296 2.453 . 0 0 "[ . 1 . 2]" 1
1486 1 37 ILE MD 1 41 ILE MD . . 3.560 2.331 1.982 2.735 . 0 0 "[ . 1 . 2]" 1
1487 1 41 ILE MD 1 41 ILE MG . . 3.440 1.968 1.936 1.998 . 0 0 "[ . 1 . 2]" 1
1488 1 40 ILE MD 1 41 ILE H . . 4.930 4.771 4.705 4.875 . 0 0 "[ . 1 . 2]" 1
1489 1 40 ILE H 1 40 ILE MD . . 4.530 3.619 3.306 3.809 . 0 0 "[ . 1 . 2]" 1
1490 1 40 ILE MD 1 47 TYR QD . . 3.150 2.651 2.364 2.945 . 0 0 "[ . 1 . 2]" 1
1491 1 40 ILE MD 1 46 THR HA . . 3.730 3.140 2.893 3.475 . 0 0 "[ . 1 . 2]" 1
1492 1 40 ILE MD 1 47 TYR HA . . 3.870 2.690 2.340 3.079 . 0 0 "[ . 1 . 2]" 1
1493 1 40 ILE HA 1 40 ILE MD . . 3.080 2.029 1.989 2.110 . 0 0 "[ . 1 . 2]" 1
1494 1 40 ILE MD 1 47 TYR HB3 . . 4.990 4.670 4.337 5.015 0.025 16 0 "[ . 1 . 2]" 1
1495 1 40 ILE MD 1 81 PRO HB2 . . 5.500 3.980 3.608 4.346 . 0 0 "[ . 1 . 2]" 1
1496 1 37 ILE MD 1 65 LEU H . . 4.440 4.434 4.179 4.549 0.109 19 0 "[ . 1 . 2]" 1
1497 1 37 ILE MD 1 64 TYR H . . 5.070 4.376 4.145 4.655 . 0 0 "[ . 1 . 2]" 1
1498 1 37 ILE MD 1 64 TYR QD . . 3.640 2.328 2.065 2.550 . 0 0 "[ . 1 . 2]" 1
1499 1 37 ILE MD 1 64 TYR QE . . 4.320 3.549 2.789 3.892 . 0 0 "[ . 1 . 2]" 1
1500 1 37 ILE MD 1 61 VAL HA . . 3.170 2.017 1.910 2.348 . 0 0 "[ . 1 . 2]" 1
1501 1 37 ILE MD 1 64 TYR QB . . 3.630 2.772 2.440 3.039 . 0 0 "[ . 1 . 2]" 1
1502 1 47 TYR QE 1 57 GLY HA2 . . 4.710 3.741 3.618 3.932 . 0 0 "[ . 1 . 2]" 1
1503 1 98 PHE HE1 1 99 VAL MG2 . . 3.030 3.095 3.058 3.122 0.092 7 0 "[ . 1 . 2]" 1
1504 1 98 PHE HE1 1 102 LEU HG . . 5.320 5.195 5.063 5.297 . 0 0 "[ . 1 . 2]" 1
1505 1 98 PHE H 1 98 PHE HD1 . . 4.550 4.323 4.205 4.356 . 0 0 "[ . 1 . 2]" 1
1506 1 98 PHE HA 1 98 PHE HD1 . . 4.120 4.207 4.178 4.246 0.126 17 0 "[ . 1 . 2]" 1
1507 1 98 PHE HB3 1 98 PHE HD1 . . 3.610 2.448 2.427 2.479 . 0 0 "[ . 1 . 2]" 1
1508 1 98 PHE HD1 1 102 LEU QD . . 3.610 3.654 3.628 3.678 0.068 7 0 "[ . 1 . 2]" 1
1509 1 98 PHE HD1 1 99 VAL H . . 3.990 2.926 2.784 2.989 . 0 0 "[ . 1 . 2]" 1
1510 1 98 PHE HD2 1 99 VAL H . . 5.500 5.584 5.522 5.600 0.100 15 0 "[ . 1 . 2]" 1
1511 1 98 PHE HE2 1 102 LEU QD . . 3.580 3.626 3.592 3.657 0.077 15 0 "[ . 1 . 2]" 1
1512 1 94 THR MG 1 98 PHE HD2 . . 5.140 4.876 4.503 5.204 0.064 14 0 "[ . 1 . 2]" 1
1513 1 98 PHE HZ 1 99 VAL MG2 . . 5.340 5.123 5.090 5.163 . 0 0 "[ . 1 . 2]" 1
1514 1 98 PHE HZ 1 102 LEU QD . . 3.700 2.426 2.315 2.559 . 0 0 "[ . 1 . 2]" 1
1515 1 106 TRP HD1 1 110 LYS HE3 . . 4.100 3.774 3.575 3.936 . 0 0 "[ . 1 . 2]" 1
1516 1 106 TRP HD1 1 110 LYS QB . . 4.520 4.440 4.275 4.549 0.029 18 0 "[ . 1 . 2]" 1
1517 1 12 LEU MD1 1 106 TRP HD1 . . 4.790 4.632 4.560 4.728 . 0 0 "[ . 1 . 2]" 1
1518 1 106 TRP HD1 1 107 SER HA . . 4.700 4.449 4.365 4.510 . 0 0 "[ . 1 . 2]" 1
1519 1 8 LEU HA 1 106 TRP HD1 . . 4.580 4.355 3.686 4.607 0.027 17 0 "[ . 1 . 2]" 1
1520 1 106 TRP HB3 1 106 TRP HD1 . . 2.830 2.524 2.511 2.537 . 0 0 "[ . 1 . 2]" 1
1521 1 106 TRP HD1 1 110 LYS HE2 . . 5.110 4.470 4.260 5.173 0.063 4 0 "[ . 1 . 2]" 1
1522 1 106 TRP HD1 1 110 LYS QD . . 3.160 2.940 2.823 3.044 . 0 0 "[ . 1 . 2]" 1
1523 1 12 LEU MD2 1 106 TRP HD1 . . 3.480 3.393 3.319 3.506 0.026 18 0 "[ . 1 . 2]" 1
1524 1 106 TRP HD1 1 107 SER H . . 4.520 4.492 4.453 4.542 0.022 20 0 "[ . 1 . 2]" 1
1525 1 59 TRP HD1 1 60 HIS H . . 3.580 3.474 3.370 3.568 . 0 0 "[ . 1 . 2]" 1
1526 1 59 TRP HD1 1 60 HIS HE1 . . 4.020 3.298 3.253 3.385 . 0 0 "[ . 1 . 2]" 1
1527 1 59 TRP HD1 1 60 HIS HD2 . . 4.460 4.407 4.243 4.486 0.026 4 0 "[ . 1 . 2]" 1
1528 1 59 TRP HA 1 59 TRP HD1 . . 4.750 4.452 4.431 4.479 . 0 0 "[ . 1 . 2]" 1
1529 1 59 TRP HD1 1 60 HIS HA . . 3.870 3.532 3.447 3.601 . 0 0 "[ . 1 . 2]" 1
1530 1 59 TRP HB3 1 59 TRP HD1 . . 3.090 2.557 2.544 2.564 . 0 0 "[ . 1 . 2]" 1
1531 1 59 TRP HD1 1 63 LEU HB2 . . 5.370 5.018 4.887 5.083 . 0 0 "[ . 1 . 2]" 1
1532 1 59 TRP HD1 1 60 HIS HB2 . . 5.050 4.917 4.811 4.996 . 0 0 "[ . 1 . 2]" 1
1533 1 59 TRP HD1 1 63 LEU MD1 . . 4.830 3.600 3.544 3.637 . 0 0 "[ . 1 . 2]" 1
1534 1 59 TRP HH2 1 108 VAL HB . . 3.890 3.696 3.618 3.794 . 0 0 "[ . 1 . 2]" 1
1535 1 59 TRP HH2 1 104 LYS HB3 . . 3.110 2.679 2.639 2.725 . 0 0 "[ . 1 . 2]" 1
1536 1 59 TRP HH2 1 108 VAL MG2 . . 2.720 2.411 2.340 2.471 . 0 0 "[ . 1 . 2]" 1
1537 1 59 TRP HH2 1 63 LEU MD2 . . 4.200 3.828 3.780 3.882 . 0 0 "[ . 1 . 2]" 1
1538 1 59 TRP HH2 1 104 LYS HA . . 4.270 4.204 4.151 4.265 . 0 0 "[ . 1 . 2]" 1
1539 1 59 TRP HH2 1 105 ALA HA . . 3.080 2.776 2.738 2.856 . 0 0 "[ . 1 . 2]" 1
1540 1 59 TRP HH2 1 104 LYS QE . . 4.230 3.745 3.621 4.212 . 0 0 "[ . 1 . 2]" 1
1541 1 59 TRP HH2 1 63 LEU MD1 . . 4.200 3.422 3.404 3.439 . 0 0 "[ . 1 . 2]" 1
1542 1 15 ARG HD2 1 106 TRP HH2 . . 3.960 3.036 2.606 3.231 . 0 0 "[ . 1 . 2]" 1
1543 1 15 ARG QG 1 106 TRP HH2 . . 3.660 2.998 2.507 3.314 . 0 0 "[ . 1 . 2]" 1
1544 1 71 THR MG 1 106 TRP HH2 . . 3.090 2.956 2.817 3.106 0.016 4 0 "[ . 1 . 2]" 1
1545 1 106 TRP HH2 1 110 LYS QB . . 4.450 4.189 3.985 4.276 . 0 0 "[ . 1 . 2]" 1
1546 1 12 LEU MD2 1 106 TRP HH2 . . 4.930 4.468 4.151 4.701 . 0 0 "[ . 1 . 2]" 1
1547 1 59 TRP HH2 1 104 LYS H . . 5.280 5.235 5.171 5.296 0.016 2 0 "[ . 1 . 2]" 1
1548 1 63 LEU HA 1 106 TRP HE3 . . 5.350 5.418 5.369 5.442 0.092 10 0 "[ . 1 . 2]" 1
1549 1 106 TRP H 1 106 TRP HE3 . . 4.680 4.736 4.705 4.762 0.082 9 0 "[ . 1 . 2]" 1
1550 1 106 TRP HE3 1 110 LYS H . . 4.700 4.637 4.592 4.686 . 0 0 "[ . 1 . 2]" 1
1551 1 106 TRP HE3 1 109 VAL H . . 4.870 4.867 4.806 4.903 0.033 13 0 "[ . 1 . 2]" 1
1552 1 106 TRP HB2 1 106 TRP HE3 . . 3.260 3.076 3.050 3.093 . 0 0 "[ . 1 . 2]" 1
1553 1 66 MET ME 1 106 TRP HE3 . . 3.320 2.858 2.466 3.056 . 0 0 "[ . 1 . 2]" 1
1554 1 106 TRP HE3 1 109 VAL MG2 . . 3.120 2.187 2.127 2.222 . 0 0 "[ . 1 . 2]" 1
1555 1 102 LEU QD 1 106 TRP HE3 . . 5.120 4.889 4.549 5.067 . 0 0 "[ . 1 . 2]" 1
1556 1 12 LEU MD2 1 106 TRP HE3 . . 3.930 3.556 3.276 3.724 . 0 0 "[ . 1 . 2]" 1
1557 1 105 ALA MB 1 106 TRP HE3 . . 5.370 5.037 4.969 5.094 . 0 0 "[ . 1 . 2]" 1
1558 1 106 TRP HE3 1 110 LYS QD . . 5.500 5.196 5.116 5.351 . 0 0 "[ . 1 . 2]" 1
1559 1 106 TRP HE3 1 110 LYS QB . . 4.290 4.209 4.151 4.274 . 0 0 "[ . 1 . 2]" 1
1560 1 60 HIS H 1 60 HIS HD2 . . 3.290 3.016 2.996 3.038 . 0 0 "[ . 1 . 2]" 1
1561 1 57 GLY HA2 1 60 HIS HD2 . . 3.840 3.094 3.014 3.136 . 0 0 "[ . 1 . 2]" 1
1562 1 59 TRP HB3 1 60 HIS HD2 . . 3.940 4.020 3.998 4.039 0.099 11 0 "[ . 1 . 2]" 1
1563 1 56 ARG QD 1 60 HIS HD2 . . 4.270 4.070 3.740 4.318 0.048 8 0 "[ . 1 . 2]" 1
1564 1 60 HIS HB2 1 60 HIS HD2 . . 3.250 2.583 2.570 2.592 . 0 0 "[ . 1 . 2]" 1
1565 1 57 GLY HA3 1 60 HIS HD2 . . 4.700 4.781 4.720 4.817 0.117 10 0 "[ . 1 . 2]" 1
1566 1 56 ARG HG3 1 60 HIS HD2 . . 3.270 3.203 2.956 3.301 0.031 18 0 "[ . 1 . 2]" 1
1567 1 56 ARG HG2 1 60 HIS HD2 . . 3.460 2.376 2.281 2.531 . 0 0 "[ . 1 . 2]" 1
1568 1 52 ILE MD 1 60 HIS HD2 . . 3.750 3.139 2.739 3.500 . 0 0 "[ . 1 . 2]" 1
1569 1 57 GLY H 1 60 HIS HD2 . . 4.810 4.689 4.637 4.734 . 0 0 "[ . 1 . 2]" 1
1570 1 64 TYR QE 1 68 HIS HD2 . . 4.570 4.273 3.684 4.624 0.054 7 0 "[ . 1 . 2]" 1
1571 1 68 HIS HA 1 68 HIS HD2 . . 3.530 3.407 3.197 3.580 0.050 20 0 "[ . 1 . 2]" 1
1572 1 68 HIS HB2 1 68 HIS HD2 . . 3.000 2.649 2.593 2.715 . 0 0 "[ . 1 . 2]" 1
1573 1 28 ILE MD 1 68 HIS HD2 . . 3.560 2.455 2.211 2.719 . 0 0 "[ . 1 . 2]" 1
1574 1 106 TRP HZ3 1 110 LYS H . . 5.290 5.416 5.347 5.464 0.174 18 0 "[ . 1 . 2]" 1
1575 1 67 LYS H 1 106 TRP HZ3 . . 5.990 5.495 5.383 5.604 . 0 0 "[ . 1 . 2]" 1
1576 1 31 LYS QD 1 68 HIS HD2 . . 4.200 2.731 1.890 4.264 0.064 10 0 "[ . 1 . 2]" 1
1577 1 59 TRP HZ3 1 63 LEU MD1 . . 5.090 3.447 3.405 3.468 . 0 0 "[ . 1 . 2]" 1
1578 1 31 LYS QB 1 68 HIS HD2 . . 4.210 3.152 2.546 4.295 0.085 20 0 "[ . 1 . 2]" 1
1579 1 71 THR MG 1 106 TRP HZ3 . . 2.680 2.668 2.570 2.728 0.048 13 0 "[ . 1 . 2]" 1
1580 1 59 TRP HZ3 1 105 ALA H . . 3.480 2.884 2.859 2.926 . 0 0 "[ . 1 . 2]" 1
1581 1 59 TRP HA 1 59 TRP HZ3 . . 4.750 4.844 4.803 4.901 0.151 17 0 "[ . 1 . 2]" 1
1582 1 59 TRP HZ3 1 101 THR HA . . 5.500 3.336 3.215 3.498 . 0 0 "[ . 1 . 2]" 1
1583 1 59 TRP HZ3 1 105 ALA MB . . 3.130 2.963 2.907 3.051 . 0 0 "[ . 1 . 2]" 1
1584 1 59 TRP HZ3 1 63 LEU MD2 . . 5.090 4.958 4.905 4.996 . 0 0 "[ . 1 . 2]" 1
1585 1 59 TRP HZ3 1 104 LYS H . . 4.320 4.095 4.041 4.150 . 0 0 "[ . 1 . 2]" 1
1586 1 59 TRP HZ3 1 105 ALA HA . . 3.550 3.171 3.136 3.222 . 0 0 "[ . 1 . 2]" 1
1587 1 59 TRP HB2 1 59 TRP HZ3 . . 5.360 5.242 5.224 5.257 . 0 0 "[ . 1 . 2]" 1
1588 1 59 TRP HZ3 1 104 LYS QE . . 4.890 3.824 3.337 4.040 . 0 0 "[ . 1 . 2]" 1
1589 1 59 TRP HZ3 1 104 LYS HB3 . . 3.330 3.009 2.957 3.072 . 0 0 "[ . 1 . 2]" 1
1590 1 59 TRP HZ3 1 104 LYS HG3 . . 4.880 4.869 4.796 4.903 0.023 10 0 "[ . 1 . 2]" 1
1591 1 15 ARG HB3 1 106 TRP HZ3 . . 4.680 4.407 4.192 4.549 . 0 0 "[ . 1 . 2]" 1
1592 1 106 TRP HZ3 1 109 VAL HB . . 5.100 4.606 4.472 4.716 . 0 0 "[ . 1 . 2]" 1
1593 1 12 LEU MD2 1 106 TRP HZ3 . . 4.810 4.350 4.019 4.579 . 0 0 "[ . 1 . 2]" 1
1594 1 59 TRP HE3 1 105 ALA HA . . 4.450 4.481 4.464 4.505 0.055 7 0 "[ . 1 . 2]" 1
1595 1 59 TRP HE3 1 62 ILE MD . . 5.000 4.467 4.162 4.695 . 0 0 "[ . 1 . 2]" 1
1596 1 59 TRP HE3 1 101 THR HA . . 5.500 3.815 3.705 3.954 . 0 0 "[ . 1 . 2]" 1
1597 1 59 TRP HE3 1 101 THR MG . . 2.950 2.199 2.105 2.278 . 0 0 "[ . 1 . 2]" 1
1598 1 59 TRP HA 1 59 TRP HE3 . . 3.070 2.635 2.598 2.693 . 0 0 "[ . 1 . 2]" 1
1599 1 59 TRP HB2 1 59 TRP HE3 . . 3.560 2.884 2.862 2.903 . 0 0 "[ . 1 . 2]" 1
1600 1 59 TRP HZ2 1 108 VAL HA . . 5.410 5.533 5.490 5.580 0.170 8 0 "[ . 1 . 2]" 1
1601 1 59 TRP HZ2 1 108 VAL HB . . 3.790 3.492 3.451 3.544 . 0 0 "[ . 1 . 2]" 1
1602 1 59 TRP HZ2 1 104 LYS HB3 . . 5.500 5.044 4.992 5.106 . 0 0 "[ . 1 . 2]" 1
1603 1 59 TRP HZ2 1 108 VAL MG1 . . 3.110 2.928 2.804 3.008 . 0 0 "[ . 1 . 2]" 1
1604 1 59 TRP HZ2 1 108 VAL MG2 . . 2.620 2.016 2.000 2.036 . 0 0 "[ . 1 . 2]" 1
1605 1 59 TRP HZ2 1 63 LEU MD1 . . 3.510 3.246 3.202 3.271 . 0 0 "[ . 1 . 2]" 1
1606 1 59 TRP HZ2 1 63 LEU MD2 . . 3.510 2.718 2.656 2.770 . 0 0 "[ . 1 . 2]" 1
1607 1 15 ARG HA 1 106 TRP HZ2 . . 5.500 5.514 5.440 5.594 0.094 18 0 "[ . 1 . 2]" 1
1608 1 15 ARG HD2 1 106 TRP HZ2 . . 4.230 3.666 3.177 4.281 0.051 18 0 "[ . 1 . 2]" 1
1609 1 106 TRP HZ2 1 110 LYS HE3 . . 4.660 4.606 3.165 4.706 0.046 20 0 "[ . 1 . 2]" 1
1610 1 11 GLU HA 1 106 TRP HZ2 . . 5.500 5.400 4.425 5.565 0.065 4 0 "[ . 1 . 2]" 1
1611 1 106 TRP HZ2 1 110 LYS HE2 . . 4.530 3.669 3.508 4.648 0.118 4 0 "[ . 1 . 2]" 1
1612 1 15 ARG HB3 1 106 TRP HZ2 . . 3.850 3.649 3.514 3.868 0.018 18 0 "[ . 1 . 2]" 1
1613 1 15 ARG QG 1 106 TRP HZ2 . . 3.200 2.041 1.985 2.097 . 0 0 "[ . 1 . 2]" 1
1614 1 15 ARG HB2 1 106 TRP HZ2 . . 5.500 3.401 3.115 3.810 . 0 0 "[ . 1 . 2]" 1
1615 1 71 THR MG 1 106 TRP HZ2 . . 4.770 4.453 4.347 4.584 . 0 0 "[ . 1 . 2]" 1
1616 1 106 TRP HZ2 1 110 LYS QB . . 3.730 3.573 3.227 3.745 0.015 18 0 "[ . 1 . 2]" 1
1617 1 12 LEU MD2 1 106 TRP HZ2 . . 4.400 3.812 3.571 4.044 . 0 0 "[ . 1 . 2]" 1
1618 1 2 VAL H 1 2 VAL QG . . 3.320 1.900 1.786 2.193 . 0 0 "[ . 1 . 2]" 1
1619 1 2 VAL HA 1 2 VAL QG . . 2.990 2.286 2.113 2.367 . 0 0 "[ . 1 . 2]" 1
1620 1 2 VAL QG 1 3 VAL H . . 2.980 2.592 2.331 3.125 0.145 1 0 "[ . 1 . 2]" 1
1621 1 2 VAL QG 1 3 VAL HA . . 3.490 3.203 3.146 3.236 . 0 0 "[ . 1 . 2]" 1
1622 1 2 VAL QG 1 3 VAL HB . . 3.990 3.659 3.023 4.021 0.031 9 0 "[ . 1 . 2]" 1
1623 1 3 VAL H 1 3 VAL QG . . 3.190 2.153 2.062 2.227 . 0 0 "[ . 1 . 2]" 1
1624 1 3 VAL HA 1 3 VAL QG . . 2.810 2.191 2.112 2.262 . 0 0 "[ . 1 . 2]" 1
1625 1 3 VAL QG 1 4 GLU QG . . 4.150 2.829 2.191 3.766 . 0 0 "[ . 1 . 2]" 1
1626 1 4 GLU QB 1 8 LEU QD . . 5.440 4.935 4.570 5.101 . 0 0 "[ . 1 . 2]" 1
1627 1 5 PHE HA 1 8 LEU QD . . 4.570 3.393 3.176 3.647 . 0 0 "[ . 1 . 2]" 1
1628 1 7 GLU H 1 7 GLU QB . . 2.790 2.234 2.205 2.366 . 0 0 "[ . 1 . 2]" 1
1629 1 7 GLU H 1 7 GLU QG . . 4.590 3.828 2.318 4.053 . 0 0 "[ . 1 . 2]" 1
1630 1 7 GLU H 1 8 LEU QB . . 4.620 4.229 4.182 4.300 . 0 0 "[ . 1 . 2]" 1
1631 1 7 GLU HA 1 7 GLU QG . . 2.900 2.540 2.271 2.815 . 0 0 "[ . 1 . 2]" 1
1632 1 7 GLU HA 1 9 ARG QB . . 5.300 5.053 4.868 5.316 0.016 8 0 "[ . 1 . 2]" 1
1633 1 7 GLU HA 1 10 LYS QG . . 3.640 2.228 2.092 2.303 . 0 0 "[ . 1 . 2]" 1
1634 1 7 GLU QB 1 7 GLU QG . . 2.360 2.079 2.025 2.119 . 0 0 "[ . 1 . 2]" 1
1635 1 7 GLU QB 1 8 LEU H . . 2.860 2.817 2.725 2.908 0.048 19 0 "[ . 1 . 2]" 1
1636 1 7 GLU QB 1 10 LYS QD . . 5.180 4.194 3.634 4.897 . 0 0 "[ . 1 . 2]" 1
1637 1 7 GLU QB 1 10 LYS QE . . 4.550 3.797 3.039 4.323 . 0 0 "[ . 1 . 2]" 1
1638 1 7 GLU QG 1 8 LEU H . . 4.310 3.936 3.664 4.341 0.031 6 0 "[ . 1 . 2]" 1
1639 1 7 GLU QG 1 10 LYS QG . . 4.460 3.502 3.163 3.945 . 0 0 "[ . 1 . 2]" 1
1640 1 7 GLU QG 1 10 LYS QD . . 4.370 3.443 2.665 4.439 0.069 6 0 "[ . 1 . 2]" 1
1641 1 7 GLU QG 1 10 LYS QE . . 5.340 3.767 2.154 4.391 . 0 0 "[ . 1 . 2]" 1
1642 1 8 LEU HA 1 8 LEU QD . . 3.060 2.099 2.067 2.130 . 0 0 "[ . 1 . 2]" 1
1643 1 8 LEU HA 1 11 GLU QB . . 3.570 2.538 2.444 2.661 . 0 0 "[ . 1 . 2]" 1
1644 1 8 LEU HA 1 11 GLU QG . . 4.300 3.960 3.610 4.066 . 0 0 "[ . 1 . 2]" 1
1645 1 8 LEU QB 1 9 ARG H . . 3.160 2.624 2.549 2.685 . 0 0 "[ . 1 . 2]" 1
1646 1 8 LEU QB 1 106 TRP HD1 . . 5.340 4.659 4.281 4.838 . 0 0 "[ . 1 . 2]" 1
1647 1 8 LEU QD 1 9 ARG H . . 4.760 3.873 3.789 3.941 . 0 0 "[ . 1 . 2]" 1
1648 1 8 LEU QD 1 11 GLU H . . 4.590 4.213 4.123 4.379 . 0 0 "[ . 1 . 2]" 1
1649 1 8 LEU QD 1 11 GLU QB . . 3.450 2.802 2.634 3.106 . 0 0 "[ . 1 . 2]" 1
1650 1 8 LEU QD 1 12 LEU H . . 4.360 3.679 3.601 3.807 . 0 0 "[ . 1 . 2]" 1
1651 1 8 LEU QD 1 12 LEU HG . . 3.900 2.470 2.390 2.561 . 0 0 "[ . 1 . 2]" 1
1652 1 8 LEU QD 1 12 LEU MD2 . . 4.170 2.576 2.488 2.710 . 0 0 "[ . 1 . 2]" 1
1653 1 8 LEU QD 1 66 MET ME . . 5.440 4.140 3.958 4.309 . 0 0 "[ . 1 . 2]" 1
1654 1 8 LEU QD 1 99 VAL MG1 . . 3.860 2.886 2.496 3.166 . 0 0 "[ . 1 . 2]" 1
1655 1 8 LEU QD 1 103 SER H . . 4.120 3.595 3.471 3.756 . 0 0 "[ . 1 . 2]" 1
1656 1 8 LEU QD 1 103 SER HA . . 3.430 2.210 2.097 2.339 . 0 0 "[ . 1 . 2]" 1
1657 1 8 LEU QD 1 106 TRP H . . 5.230 4.295 4.178 4.433 . 0 0 "[ . 1 . 2]" 1
1658 1 8 LEU QD 1 106 TRP HD1 . . 2.830 2.155 2.055 2.361 . 0 0 "[ . 1 . 2]" 1
1659 1 9 ARG H 1 9 ARG QB . . 2.860 2.270 2.204 2.442 . 0 0 "[ . 1 . 2]" 1
1660 1 9 ARG H 1 9 ARG QG . . 4.010 3.175 2.275 4.021 0.011 3 0 "[ . 1 . 2]" 1
1661 1 9 ARG H 1 9 ARG QD . . 4.390 4.058 3.637 4.350 . 0 0 "[ . 1 . 2]" 1
1662 1 9 ARG QB 1 9 ARG QD . . 3.310 2.252 2.112 2.367 . 0 0 "[ . 1 . 2]" 1
1663 1 9 ARG QB 1 10 LYS H . . 3.400 2.677 2.571 2.821 . 0 0 "[ . 1 . 2]" 1
1664 1 9 ARG QD 1 10 LYS H . . 5.300 4.812 4.516 5.396 0.096 18 0 "[ . 1 . 2]" 1
1665 1 10 LYS H 1 10 LYS QG . . 2.720 2.010 1.941 2.082 . 0 0 "[ . 1 . 2]" 1
1666 1 10 LYS QE 1 10 LYS QG . . 2.850 2.277 2.129 2.376 . 0 0 "[ . 1 . 2]" 1
1667 1 10 LYS QG 1 11 GLU H . . 3.390 2.450 2.370 2.638 . 0 0 "[ . 1 . 2]" 1
1668 1 10 LYS QG 1 11 GLU HA . . 4.860 3.350 3.260 3.529 . 0 0 "[ . 1 . 2]" 1
1669 1 11 GLU H 1 11 GLU QB . . 2.650 2.220 2.181 2.235 . 0 0 "[ . 1 . 2]" 1
1670 1 11 GLU H 1 11 GLU QG . . 4.290 3.930 2.732 4.014 . 0 0 "[ . 1 . 2]" 1
1671 1 11 GLU HA 1 11 GLU QG . . 3.420 2.953 2.687 2.986 . 0 0 "[ . 1 . 2]" 1
1672 1 11 GLU QB 1 12 LEU H . . 2.980 2.656 2.628 2.696 . 0 0 "[ . 1 . 2]" 1
1673 1 11 GLU QB 1 12 LEU HA . . 5.040 4.199 3.796 4.252 . 0 0 "[ . 1 . 2]" 1
1674 1 11 GLU QB 1 12 LEU MD2 . . 4.270 3.853 3.548 3.975 . 0 0 "[ . 1 . 2]" 1
1675 1 11 GLU QB 1 14 LYS QB . . 5.320 4.510 4.355 4.589 . 0 0 "[ . 1 . 2]" 1
1676 1 11 GLU QB 1 106 TRP HD1 . . 4.380 4.245 3.755 4.336 . 0 0 "[ . 1 . 2]" 1
1677 1 11 GLU QB 1 106 TRP HE1 . . 3.440 3.081 1.906 3.251 . 0 0 "[ . 1 . 2]" 1
1678 1 11 GLU QG 1 106 TRP HD1 . . 4.560 3.758 3.570 4.604 0.044 18 0 "[ . 1 . 2]" 1
1679 1 11 GLU QG 1 106 TRP HE1 . . 3.870 1.828 1.719 2.923 . 0 0 "[ . 1 . 2]" 1
1680 1 11 GLU QG 1 106 TRP HZ2 . . 4.190 2.722 2.433 4.340 0.150 18 0 "[ . 1 . 2]" 1
1681 1 12 LEU H 1 12 LEU QB . . 3.030 2.387 2.362 2.414 . 0 0 "[ . 1 . 2]" 1
1682 1 12 LEU QB 1 13 VAL H . . 3.180 2.499 2.430 2.564 . 0 0 "[ . 1 . 2]" 1
1683 1 12 LEU QB 1 13 VAL MG1 . . 4.490 2.979 2.913 3.083 . 0 0 "[ . 1 . 2]" 1
1684 1 12 LEU QB 1 72 ASP HA . . 4.600 3.016 2.794 3.323 . 0 0 "[ . 1 . 2]" 1
1685 1 13 VAL H 1 16 ASP QB . . 5.340 4.600 4.433 4.731 . 0 0 "[ . 1 . 2]" 1
1686 1 13 VAL HA 1 16 ASP QB . . 3.990 2.497 2.298 2.633 . 0 0 "[ . 1 . 2]" 1
1687 1 13 VAL MG1 1 73 PRO QG . . 5.060 4.313 4.113 4.660 . 0 0 "[ . 1 . 2]" 1
1688 1 14 LYS H 1 14 LYS QG . . 4.480 3.971 3.875 3.999 . 0 0 "[ . 1 . 2]" 1
1689 1 14 LYS H 1 16 ASP QB . . 5.340 4.697 4.563 4.766 . 0 0 "[ . 1 . 2]" 1
1690 1 15 ARG H 1 16 ASP QB . . 4.140 3.883 3.822 3.982 . 0 0 "[ . 1 . 2]" 1
1691 1 16 ASP H 1 16 ASP QB . . 2.790 2.228 2.216 2.243 . 0 0 "[ . 1 . 2]" 1
1692 1 16 ASP QB 1 17 SER H . . 3.870 3.413 3.319 3.456 . 0 0 "[ . 1 . 2]" 1
1693 1 16 ASP QB 1 18 GLY H . . 4.360 3.211 3.061 3.341 . 0 0 "[ . 1 . 2]" 1
1694 1 16 ASP QB 1 71 THR H . . 4.000 3.256 3.195 3.461 . 0 0 "[ . 1 . 2]" 1
1695 1 16 ASP QB 1 71 THR MG . . 4.470 3.953 3.787 4.135 . 0 0 "[ . 1 . 2]" 1
1696 1 16 ASP QB 1 72 ASP H . . 4.170 2.963 2.885 3.148 . 0 0 "[ . 1 . 2]" 1
1697 1 19 LYS HA 1 23 LYS QD . . 5.030 4.583 4.427 5.016 . 0 0 "[ . 1 . 2]" 1
1698 1 20 PRO QG 1 21 VAL H . . 5.020 4.475 4.446 4.515 . 0 0 "[ . 1 . 2]" 1
1699 1 20 PRO QG 1 22 GLU H . . 4.640 3.676 3.610 3.782 . 0 0 "[ . 1 . 2]" 1
1700 1 20 PRO QG 1 22 GLU QG . . 2.720 2.445 2.349 2.604 . 0 0 "[ . 1 . 2]" 1
1701 1 20 PRO QG 1 23 LYS H . . 3.960 2.941 2.883 3.053 . 0 0 "[ . 1 . 2]" 1
1702 1 21 VAL H 1 21 VAL QG . . 2.570 1.750 1.726 1.772 . 0 0 "[ . 1 . 2]" 1
1703 1 21 VAL QG 1 22 GLU H . . 3.460 2.437 2.379 2.500 . 0 0 "[ . 1 . 2]" 1
1704 1 21 VAL QG 1 22 GLU HA . . 3.480 3.140 3.109 3.179 . 0 0 "[ . 1 . 2]" 1
1705 1 21 VAL QG 1 22 GLU QB . . 4.310 3.187 3.129 3.274 . 0 0 "[ . 1 . 2]" 1
1706 1 21 VAL QG 1 22 GLU QG . . 5.110 3.790 3.716 3.869 . 0 0 "[ . 1 . 2]" 1
1707 1 21 VAL QG 1 23 LYS H . . 5.310 4.159 4.142 4.175 . 0 0 "[ . 1 . 2]" 1
1708 1 21 VAL QG 1 24 ILE H . . 4.430 4.329 4.266 4.362 . 0 0 "[ . 1 . 2]" 1
1709 1 21 VAL QG 1 24 ILE HB . . 5.060 3.917 3.750 4.108 . 0 0 "[ . 1 . 2]" 1
1710 1 21 VAL QG 1 25 LYS H . . 5.440 4.752 4.527 4.834 . 0 0 "[ . 1 . 2]" 1
1711 1 21 VAL QG 1 74 ASP HA . . 5.440 5.467 5.414 5.559 0.119 20 0 "[ . 1 . 2]" 1
1712 1 21 VAL QG 1 75 LYS H . . 4.170 4.181 4.125 4.208 0.038 10 0 "[ . 1 . 2]" 1
1713 1 21 VAL QG 1 75 LYS HB2 . . 5.030 3.700 3.619 3.778 . 0 0 "[ . 1 . 2]" 1
1714 1 21 VAL QG 1 75 LYS HG2 . . 4.910 2.058 2.026 2.109 . 0 0 "[ . 1 . 2]" 1
1715 1 21 VAL QG 1 75 LYS HG3 . . 4.290 3.439 3.410 3.477 . 0 0 "[ . 1 . 2]" 1
1716 1 21 VAL QG 1 75 LYS QE . . 4.370 3.190 3.062 3.310 . 0 0 "[ . 1 . 2]" 1
1717 1 21 VAL QG 1 78 GLU H . . 4.160 4.161 4.055 4.190 0.030 15 0 "[ . 1 . 2]" 1
1718 1 21 VAL QG 1 78 GLU HB2 . . 3.820 3.234 3.105 3.424 . 0 0 "[ . 1 . 2]" 1
1719 1 21 VAL QG 1 78 GLU HB3 . . 4.130 2.512 2.374 2.572 . 0 0 "[ . 1 . 2]" 1
1720 1 21 VAL QG 1 78 GLU QG . . 3.210 2.069 1.988 2.694 . 0 0 "[ . 1 . 2]" 1
1721 1 21 VAL QG 1 79 LEU H . . 4.860 4.712 4.512 4.864 0.004 4 0 "[ . 1 . 2]" 1
1722 1 23 LYS H 1 23 LYS QG . . 4.530 4.057 4.021 4.071 . 0 0 "[ . 1 . 2]" 1
1723 1 23 LYS H 1 23 LYS QD . . 5.190 4.202 4.141 4.343 . 0 0 "[ . 1 . 2]" 1
1724 1 23 LYS HB3 1 23 LYS QD . . 3.720 2.272 2.249 2.293 . 0 0 "[ . 1 . 2]" 1
1725 1 23 LYS QE 1 23 LYS QG . . 3.070 2.311 2.279 2.328 . 0 0 "[ . 1 . 2]" 1
1726 1 23 LYS QG 1 24 ILE H . . 5.030 4.409 4.366 4.478 . 0 0 "[ . 1 . 2]" 1
1727 1 23 LYS QG 1 26 GLU QG . . 3.900 3.715 3.495 3.933 0.033 1 0 "[ . 1 . 2]" 1
1728 1 23 LYS QG 1 27 GLU H . . 4.740 4.607 4.497 4.803 0.063 2 0 "[ . 1 . 2]" 1
1729 1 23 LYS QG 1 27 GLU QG . . 4.440 3.621 3.482 3.941 . 0 0 "[ . 1 . 2]" 1
1730 1 23 LYS QD 1 24 ILE MG . . 5.340 4.710 4.549 4.996 . 0 0 "[ . 1 . 2]" 1
1731 1 23 LYS QE 1 26 GLU QG . . 4.870 4.774 4.306 4.920 0.050 17 0 "[ . 1 . 2]" 1
1732 1 24 ILE H 1 26 GLU QG . . 5.340 4.884 4.693 5.054 . 0 0 "[ . 1 . 2]" 1
1733 1 24 ILE H 1 79 LEU QD . . 5.100 4.544 4.233 4.795 . 0 0 "[ . 1 . 2]" 1
1734 1 24 ILE HA 1 27 GLU QG . . 4.540 3.573 3.337 4.077 . 0 0 "[ . 1 . 2]" 1
1735 1 24 ILE HA 1 70 VAL QG . . 4.550 4.555 4.468 4.627 0.077 8 0 "[ . 1 . 2]" 1
1736 1 24 ILE HA 1 79 LEU QD . . 4.960 4.778 4.595 4.982 0.022 1 0 "[ . 1 . 2]" 1
1737 1 24 ILE HB 1 79 LEU QD . . 3.860 2.710 2.383 3.013 . 0 0 "[ . 1 . 2]" 1
1738 1 25 LYS H 1 25 LYS QG . . 2.920 2.063 1.844 2.350 . 0 0 "[ . 1 . 2]" 1
1739 1 25 LYS H 1 26 GLU QG . . 4.340 3.966 3.880 4.060 . 0 0 "[ . 1 . 2]" 1
1740 1 25 LYS H 1 79 LEU QD . . 3.910 3.640 3.456 3.827 . 0 0 "[ . 1 . 2]" 1
1741 1 25 LYS HB2 1 26 GLU QG . . 3.870 3.462 3.063 3.606 . 0 0 "[ . 1 . 2]" 1
1742 1 25 LYS QG 1 26 GLU H . . 4.800 4.192 3.941 4.358 . 0 0 "[ . 1 . 2]" 1
1743 1 25 LYS QG 1 79 LEU QD . . 3.890 2.112 1.930 3.054 . 0 0 "[ . 1 . 2]" 1
1744 1 25 LYS QD 1 79 LEU QD . . 3.610 2.146 1.868 2.706 . 0 0 "[ . 1 . 2]" 1
1745 1 25 LYS QE 1 79 LEU QD . . 3.830 2.469 1.787 2.787 . 0 0 "[ . 1 . 2]" 1
1746 1 26 GLU H 1 26 GLU QG . . 3.210 2.098 2.050 2.138 . 0 0 "[ . 1 . 2]" 1
1747 1 26 GLU H 1 27 GLU QG . . 4.800 4.175 4.056 4.390 . 0 0 "[ . 1 . 2]" 1
1748 1 26 GLU H 1 29 CYS QB . . 5.340 5.331 5.012 5.435 0.095 16 0 "[ . 1 . 2]" 1
1749 1 26 GLU QG 1 27 GLU H . . 3.960 3.875 3.805 3.904 . 0 0 "[ . 1 . 2]" 1
1750 1 26 GLU QG 1 27 GLU QG . . 4.710 4.664 4.543 4.747 0.037 13 0 "[ . 1 . 2]" 1
1751 1 26 GLU QG 1 28 ILE H . . 5.340 5.417 5.326 5.481 0.141 10 0 "[ . 1 . 2]" 1
1752 1 27 GLU H 1 27 GLU QG . . 2.990 2.226 2.094 2.405 . 0 0 "[ . 1 . 2]" 1
1753 1 27 GLU HA 1 27 GLU QG . . 2.820 2.717 2.231 2.910 0.090 9 0 "[ . 1 . 2]" 1
1754 1 27 GLU QG 1 31 LYS QD . . 5.340 4.434 3.537 5.428 0.088 19 0 "[ . 1 . 2]" 1
1755 1 28 ILE MG 1 29 CYS QB . . 5.040 4.206 3.356 4.662 . 0 0 "[ . 1 . 2]" 1
1756 1 28 ILE MG 1 65 LEU QD . . 3.470 3.354 3.145 3.512 0.042 5 0 "[ . 1 . 2]" 1
1757 1 28 ILE MD 1 65 LEU QD . . 2.450 2.137 1.953 2.453 0.003 16 0 "[ . 1 . 2]" 1
1758 1 29 CYS H 1 29 CYS QB . . 3.220 2.312 2.198 2.427 . 0 0 "[ . 1 . 2]" 1
1759 1 29 CYS QB 1 30 THR H . . 3.650 3.132 2.946 3.379 . 0 0 "[ . 1 . 2]" 1
1760 1 29 CYS QB 1 30 THR MG . . 4.180 3.248 2.521 4.321 0.141 14 0 "[ . 1 . 2]" 1
1761 1 30 THR H 1 31 LYS QG . . 4.500 3.899 3.642 4.097 . 0 0 "[ . 1 . 2]" 1
1762 1 31 LYS H 1 31 LYS QG . . 3.630 3.009 2.152 3.182 . 0 0 "[ . 1 . 2]" 1
1763 1 40 ILE H 1 40 ILE QG . . 3.520 2.416 2.170 2.737 . 0 0 "[ . 1 . 2]" 1
1764 1 40 ILE QG 1 41 ILE H . . 4.270 4.156 4.066 4.252 . 0 0 "[ . 1 . 2]" 1
1765 1 40 ILE QG 1 47 TYR QD . . 5.340 3.280 2.880 3.693 . 0 0 "[ . 1 . 2]" 1
1766 1 40 ILE QG 1 47 TYR QE . . 5.340 2.869 2.483 3.235 . 0 0 "[ . 1 . 2]" 1
1767 1 40 ILE QG 1 50 VAL MG1 . . 4.560 3.010 2.576 3.578 . 0 0 "[ . 1 . 2]" 1
1768 1 40 ILE QG 1 50 VAL MG2 . . 3.810 3.121 2.834 3.657 . 0 0 "[ . 1 . 2]" 1
1769 1 41 ILE H 1 42 CYS QB . . 4.620 4.313 4.067 4.597 . 0 0 "[ . 1 . 2]" 1
1770 1 41 ILE MG 1 42 CYS QB . . 5.340 3.959 3.533 4.419 . 0 0 "[ . 1 . 2]" 1
1771 1 41 ILE MD 1 79 LEU QB . . 3.190 2.598 2.263 2.920 . 0 0 "[ . 1 . 2]" 1
1772 1 42 CYS H 1 42 CYS QB . . 3.040 2.363 2.256 2.477 . 0 0 "[ . 1 . 2]" 1
1773 1 42 CYS HA 1 43 GLU QG . . 5.340 4.516 4.337 4.803 . 0 0 "[ . 1 . 2]" 1
1774 1 42 CYS QB 1 43 GLU QG . . 3.960 2.869 2.736 2.985 . 0 0 "[ . 1 . 2]" 1
1775 1 43 GLU H 1 43 GLU QG . . 3.480 2.846 2.289 3.020 . 0 0 "[ . 1 . 2]" 1
1776 1 43 GLU QB 1 45 LYS QE . . 4.760 2.059 1.811 2.282 . 0 0 "[ . 1 . 2]" 1
1777 1 43 GLU QG 1 44 ASN H . . 4.430 4.348 4.160 4.444 0.014 12 0 "[ . 1 . 2]" 1
1778 1 43 GLU QG 1 45 LYS H . . 4.890 4.743 4.506 4.978 0.088 13 0 "[ . 1 . 2]" 1
1779 1 43 GLU QG 1 45 LYS HG2 . . 4.940 4.316 3.950 4.915 . 0 0 "[ . 1 . 2]" 1
1780 1 43 GLU QG 1 45 LYS QE . . 4.380 2.972 2.555 3.768 . 0 0 "[ . 1 . 2]" 1
1781 1 44 ASN H 1 44 ASN QB . . 3.520 3.203 2.848 3.382 . 0 0 "[ . 1 . 2]" 1
1782 1 44 ASN QB 1 45 LYS H . . 3.870 3.804 3.738 4.066 0.196 13 0 "[ . 1 . 2]" 1
1783 1 45 LYS H 1 45 LYS QE . . 4.430 3.525 3.275 3.633 . 0 0 "[ . 1 . 2]" 1
1784 1 45 LYS QE 1 50 VAL MG1 . . 4.650 3.870 3.711 4.036 . 0 0 "[ . 1 . 2]" 1
1785 1 46 THR HA 1 82 ARG QB . . 4.640 4.422 4.209 4.619 . 0 0 "[ . 1 . 2]" 1
1786 1 46 THR MG 1 82 ARG QB . . 3.480 3.491 3.362 3.539 0.059 2 0 "[ . 1 . 2]" 1
1787 1 46 THR MG 1 83 ASP QB . . 4.930 3.426 2.936 3.644 . 0 0 "[ . 1 . 2]" 1
1788 1 47 TYR H 1 81 PRO QG . . 4.000 3.242 3.066 3.333 . 0 0 "[ . 1 . 2]" 1
1789 1 47 TYR H 1 83 ASP QB . . 5.340 2.648 2.275 4.229 . 0 0 "[ . 1 . 2]" 1
1790 1 47 TYR HA 1 81 PRO QG . . 5.140 4.198 4.062 4.281 . 0 0 "[ . 1 . 2]" 1
1791 1 47 TYR HB2 1 54 ARG QB . . 5.100 3.910 3.241 4.763 . 0 0 "[ . 1 . 2]" 1
1792 1 47 TYR HB3 1 54 ARG QB . . 5.070 4.375 3.713 5.151 0.081 4 0 "[ . 1 . 2]" 1
1793 1 47 TYR HB3 1 81 PRO QG . . 5.350 4.795 4.632 4.881 . 0 0 "[ . 1 . 2]" 1
1794 1 47 TYR QD 1 54 ARG QB . . 5.340 2.810 2.314 3.272 . 0 0 "[ . 1 . 2]" 1
1795 1 47 TYR QD 1 81 PRO QG . . 4.580 2.928 2.805 3.008 . 0 0 "[ . 1 . 2]" 1
1796 1 52 ILE QG 1 53 ASP H . . 2.900 2.145 2.091 2.185 . 0 0 "[ . 1 . 2]" 1
1797 1 52 ILE QG 1 53 ASP HA . . 4.530 4.139 4.054 4.191 . 0 0 "[ . 1 . 2]" 1
1798 1 52 ILE QG 1 53 ASP QB . . 4.040 3.331 3.125 3.439 . 0 0 "[ . 1 . 2]" 1
1799 1 52 ILE QG 1 56 ARG QD . . 4.240 2.774 2.537 2.980 . 0 0 "[ . 1 . 2]" 1
1800 1 52 ILE QG 1 57 GLY H . . 4.740 3.208 3.085 3.387 . 0 0 "[ . 1 . 2]" 1
1801 1 52 ILE MD 1 53 ASP QB . . 5.340 4.618 4.382 4.737 . 0 0 "[ . 1 . 2]" 1
1802 1 53 ASP H 1 53 ASP QB . . 2.760 2.317 2.155 2.419 . 0 0 "[ . 1 . 2]" 1
1803 1 53 ASP QB 1 54 ARG H . . 3.920 3.152 2.752 3.802 . 0 0 "[ . 1 . 2]" 1
1804 1 53 ASP QB 1 56 ARG H . . 3.470 2.741 2.556 3.095 . 0 0 "[ . 1 . 2]" 1
1805 1 53 ASP QB 1 56 ARG QB . . 3.500 2.101 2.031 2.166 . 0 0 "[ . 1 . 2]" 1
1806 1 53 ASP QB 1 56 ARG HG2 . . 4.430 4.346 4.165 4.418 . 0 0 "[ . 1 . 2]" 1
1807 1 53 ASP QB 1 56 ARG HG3 . . 4.880 4.720 4.619 4.794 . 0 0 "[ . 1 . 2]" 1
1808 1 53 ASP QB 1 56 ARG QD . . 4.250 3.092 2.850 3.248 . 0 0 "[ . 1 . 2]" 1
1809 1 53 ASP QB 1 57 GLY H . . 4.570 3.883 3.725 4.067 . 0 0 "[ . 1 . 2]" 1
1810 1 54 ARG H 1 54 ARG QG . . 2.830 1.947 1.805 2.087 . 0 0 "[ . 1 . 2]" 1
1811 1 54 ARG HA 1 81 PRO QG . . 5.240 5.018 4.849 5.204 . 0 0 "[ . 1 . 2]" 1
1812 1 54 ARG QB 1 54 ARG QD . . 3.300 2.230 2.093 2.362 . 0 0 "[ . 1 . 2]" 1
1813 1 54 ARG QB 1 85 LYS H . . 4.400 2.833 2.448 3.319 . 0 0 "[ . 1 . 2]" 1
1814 1 54 ARG QB 1 85 LYS QB . . 4.500 3.028 2.085 3.877 . 0 0 "[ . 1 . 2]" 1
1815 1 54 ARG QG 1 85 LYS H . . 5.340 3.969 3.410 5.085 . 0 0 "[ . 1 . 2]" 1
1816 1 54 ARG QD 1 85 LYS H . . 5.340 4.123 3.079 5.018 . 0 0 "[ . 1 . 2]" 1
1817 1 54 ARG QD 1 85 LYS QB . . 4.210 3.177 2.214 4.273 0.063 4 0 "[ . 1 . 2]" 1
1818 1 58 ASP QB 1 59 TRP H . . 3.350 2.909 2.700 3.031 . 0 0 "[ . 1 . 2]" 1
1819 1 58 ASP QB 1 62 ILE H . . 5.330 4.874 4.442 5.339 0.009 11 0 "[ . 1 . 2]" 1
1820 1 58 ASP QB 1 62 ILE MD . . 3.740 3.043 2.491 3.820 0.080 11 0 "[ . 1 . 2]" 1
1821 1 58 ASP QB 1 101 THR MG . . 4.160 2.937 2.672 3.494 . 0 0 "[ . 1 . 2]" 1
1822 1 59 TRP H 1 63 LEU QD . . 5.440 5.046 4.986 5.092 . 0 0 "[ . 1 . 2]" 1
1823 1 59 TRP HD1 1 63 LEU QD . . 3.770 3.412 3.362 3.446 . 0 0 "[ . 1 . 2]" 1
1824 1 59 TRP HE3 1 63 LEU QD . . 3.980 3.247 3.185 3.273 . 0 0 "[ . 1 . 2]" 1
1825 1 59 TRP HE1 1 63 LEU QD . . 3.140 2.750 2.673 2.797 . 0 0 "[ . 1 . 2]" 1
1826 1 59 TRP HZ3 1 63 LEU QD . . 4.340 3.386 3.348 3.406 . 0 0 "[ . 1 . 2]" 1
1827 1 59 TRP HZ2 1 63 LEU QD . . 2.920 2.587 2.547 2.625 . 0 0 "[ . 1 . 2]" 1
1828 1 59 TRP HH2 1 63 LEU QD . . 3.460 3.195 3.176 3.220 . 0 0 "[ . 1 . 2]" 1
1829 1 60 HIS HA 1 63 LEU QD . . 3.820 3.245 3.176 3.320 . 0 0 "[ . 1 . 2]" 1
1830 1 62 ILE H 1 63 LEU QD . . 4.930 3.826 3.795 3.868 . 0 0 "[ . 1 . 2]" 1
1831 1 62 ILE MG 1 63 LEU QD . . 4.180 2.971 2.888 3.042 . 0 0 "[ . 1 . 2]" 1
1832 1 62 ILE MG 1 66 MET QG . . 3.580 3.156 2.991 3.236 . 0 0 "[ . 1 . 2]" 1
1833 1 63 LEU H 1 63 LEU QD . . 3.410 2.276 2.230 2.314 . 0 0 "[ . 1 . 2]" 1
1834 1 63 LEU H 1 66 MET QG . . 5.270 5.239 5.207 5.296 0.026 7 0 "[ . 1 . 2]" 1
1835 1 63 LEU HA 1 63 LEU QD . . 3.050 2.811 2.788 2.829 . 0 0 "[ . 1 . 2]" 1
1836 1 63 LEU HA 1 66 MET QB . . 4.330 3.008 2.929 3.077 . 0 0 "[ . 1 . 2]" 1
1837 1 63 LEU HB3 1 63 LEU QD . . 2.870 2.156 2.147 2.165 . 0 0 "[ . 1 . 2]" 1
1838 1 63 LEU QD 1 66 MET ME . . 4.730 4.062 3.673 4.210 . 0 0 "[ . 1 . 2]" 1
1839 1 63 LEU QD 1 101 THR HA . . 5.440 5.475 5.413 5.542 0.102 11 0 "[ . 1 . 2]" 1
1840 1 63 LEU QD 1 102 LEU HA . . 5.440 5.056 4.851 5.167 . 0 0 "[ . 1 . 2]" 1
1841 1 63 LEU QD 1 105 ALA H . . 4.750 3.960 3.918 3.979 . 0 0 "[ . 1 . 2]" 1
1842 1 63 LEU QD 1 105 ALA HA . . 3.140 2.008 1.987 2.025 . 0 0 "[ . 1 . 2]" 1
1843 1 63 LEU QD 1 105 ALA MB . . 2.870 1.923 1.909 1.943 . 0 0 "[ . 1 . 2]" 1
1844 1 63 LEU QD 1 108 VAL H . . 4.010 3.894 3.866 3.915 . 0 0 "[ . 1 . 2]" 1
1845 1 63 LEU QD 1 108 VAL HA . . 5.430 4.512 4.468 4.539 . 0 0 "[ . 1 . 2]" 1
1846 1 63 LEU QD 1 108 VAL MG1 . . 2.930 2.131 2.092 2.175 . 0 0 "[ . 1 . 2]" 1
1847 1 63 LEU QD 1 108 VAL MG2 . . 3.360 2.897 2.850 2.926 . 0 0 "[ . 1 . 2]" 1
1848 1 63 LEU QD 1 109 VAL H . . 3.900 3.581 3.556 3.606 . 0 0 "[ . 1 . 2]" 1
1849 1 63 LEU QD 1 109 VAL HA . . 4.090 3.975 3.922 4.034 . 0 0 "[ . 1 . 2]" 1
1850 1 63 LEU QD 1 109 VAL MG1 . . 2.780 2.165 2.143 2.193 . 0 0 "[ . 1 . 2]" 1
1851 1 63 LEU QD 1 109 VAL MG2 . . 3.960 3.989 3.976 4.002 0.042 15 0 "[ . 1 . 2]" 1
1852 1 64 TYR QB 1 65 LEU QD . . 3.870 3.697 3.127 3.989 0.119 15 0 "[ . 1 . 2]" 1
1853 1 64 TYR QD 1 65 LEU QD . . 3.530 2.574 2.058 3.113 . 0 0 "[ . 1 . 2]" 1
1854 1 64 TYR QE 1 65 LEU QD . . 4.300 3.123 2.984 3.502 . 0 0 "[ . 1 . 2]" 1
1855 1 65 LEU H 1 65 LEU QD . . 3.320 2.875 2.402 3.129 . 0 0 "[ . 1 . 2]" 1
1856 1 65 LEU HA 1 65 LEU QD . . 3.000 2.025 1.935 2.176 . 0 0 "[ . 1 . 2]" 1
1857 1 65 LEU HB3 1 70 VAL QG . . 3.530 2.115 2.036 2.235 . 0 0 "[ . 1 . 2]" 1
1858 1 65 LEU QD 1 68 HIS HB2 . . 4.740 3.800 3.470 4.173 . 0 0 "[ . 1 . 2]" 1
1859 1 65 LEU QD 1 68 HIS HB3 . . 4.750 3.493 3.126 3.897 . 0 0 "[ . 1 . 2]" 1
1860 1 66 MET H 1 66 MET QB . . 3.100 2.378 2.355 2.397 . 0 0 "[ . 1 . 2]" 1
1861 1 66 MET H 1 66 MET QG . . 2.980 2.163 2.081 2.380 . 0 0 "[ . 1 . 2]" 1
1862 1 66 MET QB 1 67 LYS H . . 3.200 2.693 2.570 3.033 . 0 0 "[ . 1 . 2]" 1
1863 1 66 MET QB 1 67 LYS HA . . 5.010 4.056 3.972 4.290 . 0 0 "[ . 1 . 2]" 1
1864 1 66 MET QB 1 109 VAL MG1 . . 4.240 2.435 2.347 2.678 . 0 0 "[ . 1 . 2]" 1
1865 1 66 MET QB 1 109 VAL MG2 . . 4.090 1.933 1.886 2.096 . 0 0 "[ . 1 . 2]" 1
1866 1 66 MET ME 1 66 MET QG . . 2.840 2.214 2.184 2.307 . 0 0 "[ . 1 . 2]" 1
1867 1 66 MET QG 1 106 TRP HE3 . . 4.280 2.895 2.647 3.758 . 0 0 "[ . 1 . 2]" 1
1868 1 66 MET QG 1 109 VAL MG1 . . 4.400 4.014 3.905 4.342 . 0 0 "[ . 1 . 2]" 1
1869 1 67 LYS H 1 67 LYS QG . . 3.210 2.374 2.258 2.606 . 0 0 "[ . 1 . 2]" 1
1870 1 67 LYS H 1 67 LYS QD . . 4.460 3.905 3.741 4.391 . 0 0 "[ . 1 . 2]" 1
1871 1 67 LYS HA 1 67 LYS QG . . 3.400 2.322 2.259 2.379 . 0 0 "[ . 1 . 2]" 1
1872 1 67 LYS HA 1 67 LYS QD . . 4.550 3.949 3.915 3.977 . 0 0 "[ . 1 . 2]" 1
1873 1 67 LYS HA 1 113 LEU QD . . 3.950 2.754 2.174 3.398 . 0 0 "[ . 1 . 2]" 1
1874 1 67 LYS HB2 1 113 LEU QD . . 5.200 4.596 4.230 5.220 0.020 11 0 "[ . 1 . 2]" 1
1875 1 67 LYS HB3 1 67 LYS QD . . 3.430 2.389 2.335 2.457 . 0 0 "[ . 1 . 2]" 1
1876 1 67 LYS QG 1 112 TYR QE . . 4.920 3.541 3.370 3.855 . 0 0 "[ . 1 . 2]" 1
1877 1 67 LYS QG 1 113 LEU QD . . 4.130 2.562 2.187 3.327 . 0 0 "[ . 1 . 2]" 1
1878 1 67 LYS QD 1 113 LEU QD . . 4.330 3.670 2.927 4.352 0.022 11 0 "[ . 1 . 2]" 1
1879 1 68 HIS HB3 1 70 VAL QG . . 4.610 2.550 2.407 2.768 . 0 0 "[ . 1 . 2]" 1
1880 1 68 HIS HD2 1 70 VAL QG . . 5.420 5.115 4.878 5.301 . 0 0 "[ . 1 . 2]" 1
1881 1 69 GLY H 1 70 VAL QG . . 3.810 3.676 3.533 3.779 . 0 0 "[ . 1 . 2]" 1
1882 1 70 VAL H 1 70 VAL QG . . 2.660 1.973 1.881 2.058 . 0 0 "[ . 1 . 2]" 1
1883 1 70 VAL QG 1 71 THR H . . 3.710 2.563 2.482 2.688 . 0 0 "[ . 1 . 2]" 1
1884 1 70 VAL QG 1 71 THR HA . . 3.540 3.412 3.369 3.454 . 0 0 "[ . 1 . 2]" 1
1885 1 70 VAL QG 1 75 LYS HB2 . . 3.980 2.394 2.354 2.435 . 0 0 "[ . 1 . 2]" 1
1886 1 70 VAL QG 1 75 LYS HB3 . . 3.710 2.412 2.313 2.470 . 0 0 "[ . 1 . 2]" 1
1887 1 70 VAL QG 1 75 LYS QD . . 3.900 2.021 1.961 2.059 . 0 0 "[ . 1 . 2]" 1
1888 1 72 ASP HA 1 73 PRO QG . . 4.390 3.869 3.828 3.880 . 0 0 "[ . 1 . 2]" 1
1889 1 73 PRO QB 1 74 ASP H . . 3.790 3.345 2.747 3.427 . 0 0 "[ . 1 . 2]" 1
1890 1 73 PRO QB 1 98 PHE HZ . . 3.660 2.243 2.118 2.289 . 0 0 "[ . 1 . 2]" 1
1891 1 73 PRO QB 1 98 PHE HE2 . . 5.340 4.366 4.290 4.417 . 0 0 "[ . 1 . 2]" 1
1892 1 73 PRO QB 1 102 LEU QD . . 3.980 2.003 1.908 2.214 . 0 0 "[ . 1 . 2]" 1
1893 1 73 PRO QG 1 74 ASP H . . 3.710 2.840 2.767 3.826 0.116 2 0 "[ . 1 . 2]" 1
1894 1 73 PRO QG 1 102 LEU QD . . 4.790 3.114 2.103 3.340 . 0 0 "[ . 1 . 2]" 1
1895 1 74 ASP H 1 74 ASP QB . . 2.810 2.327 2.220 2.379 . 0 0 "[ . 1 . 2]" 1
1896 1 74 ASP H 1 77 LEU QD . . 5.100 5.140 5.110 5.154 0.054 16 0 "[ . 1 . 2]" 1
1897 1 74 ASP HA 1 77 LEU QB . . 4.480 2.486 2.468 2.511 . 0 0 "[ . 1 . 2]" 1
1898 1 74 ASP HA 1 77 LEU QD . . 3.940 2.925 2.900 2.951 . 0 0 "[ . 1 . 2]" 1
1899 1 74 ASP QB 1 75 LYS H . . 3.290 2.837 2.627 2.931 . 0 0 "[ . 1 . 2]" 1
1900 1 76 ILE H 1 76 ILE QG . . 4.520 2.263 2.208 2.341 . 0 0 "[ . 1 . 2]" 1
1901 1 76 ILE H 1 77 LEU QB . . 5.070 4.257 4.228 4.277 . 0 0 "[ . 1 . 2]" 1
1902 1 77 LEU H 1 77 LEU QB . . 2.690 2.114 2.101 2.131 . 0 0 "[ . 1 . 2]" 1
1903 1 77 LEU H 1 77 LEU QD . . 4.690 3.660 3.646 3.669 . 0 0 "[ . 1 . 2]" 1
1904 1 77 LEU QB 1 77 LEU QD . . 2.860 1.893 1.885 1.903 . 0 0 "[ . 1 . 2]" 1
1905 1 77 LEU QB 1 78 GLU H . . 3.880 2.627 2.584 2.685 . 0 0 "[ . 1 . 2]" 1
1906 1 77 LEU QD 1 78 GLU H . . 4.740 3.731 3.681 3.795 . 0 0 "[ . 1 . 2]" 1
1907 1 77 LEU QD 1 78 GLU HA . . 4.500 3.935 3.846 4.013 . 0 0 "[ . 1 . 2]" 1
1908 1 77 LEU QD 1 78 GLU HB2 . . 4.700 4.188 4.092 4.319 . 0 0 "[ . 1 . 2]" 1
1909 1 77 LEU QD 1 79 LEU H . . 4.850 4.862 4.826 4.891 0.041 11 0 "[ . 1 . 2]" 1
1910 1 77 LEU QD 1 80 LEU H . . 4.960 4.308 4.233 4.433 . 0 0 "[ . 1 . 2]" 1
1911 1 77 LEU QD 1 86 ALA MB . . 4.250 3.077 2.581 3.699 . 0 0 "[ . 1 . 2]" 1
1912 1 77 LEU QD 1 87 LYS H . . 4.940 4.938 4.765 5.033 0.093 11 0 "[ . 1 . 2]" 1
1913 1 77 LEU QD 1 87 LYS HA . . 4.300 3.594 3.350 3.809 . 0 0 "[ . 1 . 2]" 1
1914 1 77 LEU QD 1 87 LYS QG . . 3.320 2.146 1.943 2.336 . 0 0 "[ . 1 . 2]" 1
1915 1 77 LEU QD 1 87 LYS QD . . 4.500 2.666 2.283 2.941 . 0 0 "[ . 1 . 2]" 1
1916 1 77 LEU QD 1 87 LYS QE . . 3.630 3.173 2.336 3.637 0.007 17 0 "[ . 1 . 2]" 1
1917 1 78 GLU HB3 1 79 LEU QD . . 3.680 3.556 3.475 3.732 0.052 8 0 "[ . 1 . 2]" 1
1918 1 78 GLU QG 1 79 LEU H . . 4.290 4.048 4.000 4.089 . 0 0 "[ . 1 . 2]" 1
1919 1 79 LEU H 1 79 LEU QB . . 2.990 2.434 2.361 2.484 . 0 0 "[ . 1 . 2]" 1
1920 1 79 LEU H 1 79 LEU QD . . 4.020 3.288 3.216 3.342 . 0 0 "[ . 1 . 2]" 1
1921 1 79 LEU HA 1 79 LEU QD . . 3.170 1.934 1.915 1.948 . 0 0 "[ . 1 . 2]" 1
1922 1 79 LEU QB 1 80 LEU H . . 3.310 3.370 3.302 3.440 0.130 16 0 "[ . 1 . 2]" 1
1923 1 79 LEU QD 1 80 LEU H . . 4.290 4.361 4.339 4.401 0.111 8 0 "[ . 1 . 2]" 1
1924 1 81 PRO QG 1 82 ARG H . . 4.400 4.055 3.934 4.111 . 0 0 "[ . 1 . 2]" 1
1925 1 82 ARG H 1 82 ARG QB . . 2.860 2.278 2.178 2.507 . 0 0 "[ . 1 . 2]" 1
1926 1 82 ARG H 1 83 ASP QB . . 5.250 4.725 4.428 5.016 . 0 0 "[ . 1 . 2]" 1
1927 1 82 ARG HA 1 87 LYS QD . . 4.080 3.983 3.657 4.115 0.035 14 0 "[ . 1 . 2]" 1
1928 1 82 ARG QB 1 82 ARG QD . . 2.930 2.239 2.107 2.351 . 0 0 "[ . 1 . 2]" 1
1929 1 82 ARG QB 1 83 ASP H . . 3.280 2.752 2.569 3.039 . 0 0 "[ . 1 . 2]" 1
1930 1 83 ASP H 1 83 ASP QB . . 3.210 2.405 2.321 2.871 . 0 0 "[ . 1 . 2]" 1
1931 1 85 LYS H 1 85 LYS QB . . 3.260 2.252 2.189 2.532 . 0 0 "[ . 1 . 2]" 1
1932 1 85 LYS H 1 85 LYS QG . . 4.090 3.714 1.920 3.964 . 0 0 "[ . 1 . 2]" 1
1933 1 85 LYS QB 1 97 TYR QE . . 4.800 2.552 2.205 4.756 . 0 0 "[ . 1 . 2]" 1
1934 1 85 LYS QG 1 86 ALA H . . 4.070 3.802 2.581 4.114 0.044 1 0 "[ . 1 . 2]" 1
1935 1 85 LYS QG 1 86 ALA MB . . 4.530 4.199 2.887 4.530 . 0 0 "[ . 1 . 2]" 1
1936 1 85 LYS QG 1 87 LYS H . . 4.910 4.653 4.421 4.819 . 0 0 "[ . 1 . 2]" 1
1937 1 85 LYS QG 1 97 TYR QD . . 4.990 2.913 2.562 3.404 . 0 0 "[ . 1 . 2]" 1
1938 1 85 LYS QG 1 97 TYR QE . . 4.860 2.926 2.488 3.961 . 0 0 "[ . 1 . 2]" 1
1939 1 86 ALA H 1 87 LYS QG . . 4.910 3.805 3.592 4.070 . 0 0 "[ . 1 . 2]" 1
1940 1 87 LYS H 1 87 LYS QB . . 3.110 2.685 2.555 2.744 . 0 0 "[ . 1 . 2]" 1
1941 1 87 LYS H 1 87 LYS QG . . 4.080 3.077 2.908 3.210 . 0 0 "[ . 1 . 2]" 1
1942 1 87 LYS H 1 88 GLU QG . . 4.860 3.971 3.143 4.347 . 0 0 "[ . 1 . 2]" 1
1943 1 87 LYS HA 1 87 LYS QG . . 3.430 2.303 2.264 2.329 . 0 0 "[ . 1 . 2]" 1
1944 1 87 LYS HA 1 87 LYS QD . . 4.100 4.159 4.125 4.181 0.081 19 0 "[ . 1 . 2]" 1
1945 1 87 LYS QB 1 87 LYS QE . . 4.340 1.935 1.888 1.997 . 0 0 "[ . 1 . 2]" 1
1946 1 87 LYS QB 1 88 GLU H . . 2.910 2.938 2.788 2.996 0.086 19 0 "[ . 1 . 2]" 1
1947 1 87 LYS QB 1 88 GLU HA . . 4.320 4.190 3.930 4.395 0.075 4 0 "[ . 1 . 2]" 1
1948 1 87 LYS QG 1 88 GLU H . . 4.660 4.235 4.141 4.321 . 0 0 "[ . 1 . 2]" 1
1949 1 88 GLU H 1 88 GLU QG . . 3.370 2.743 2.022 3.156 . 0 0 "[ . 1 . 2]" 1
1950 1 90 GLU H 1 93 ASN QB . . 5.340 3.185 2.330 4.996 . 0 0 "[ . 1 . 2]" 1
1951 1 94 THR HA 1 95 GLN QG . . 5.340 5.093 4.955 5.277 . 0 0 "[ . 1 . 2]" 1
1952 1 94 THR MG 1 95 GLN QG . . 5.280 3.772 2.999 5.095 . 0 0 "[ . 1 . 2]" 1
1953 1 94 THR MG 1 97 TYR QB . . 5.340 4.522 3.677 4.926 . 0 0 "[ . 1 . 2]" 1
1954 1 95 GLN H 1 96 LYS QB . . 5.340 4.383 4.243 4.632 . 0 0 "[ . 1 . 2]" 1
1955 1 96 LYS QB 1 97 TYR H . . 3.710 2.412 2.267 2.623 . 0 0 "[ . 1 . 2]" 1
1956 1 96 LYS QB 1 100 ILE MD . . 5.340 5.233 4.652 5.426 0.086 8 0 "[ . 1 . 2]" 1
1957 1 96 LYS QG 1 97 TYR H . . 4.560 3.565 3.160 4.209 . 0 0 "[ . 1 . 2]" 1
1958 1 97 TYR H 1 97 TYR QB . . 3.040 2.192 2.163 2.209 . 0 0 "[ . 1 . 2]" 1
1959 1 97 TYR QB 1 98 PHE H . . 4.120 2.957 2.830 3.008 . 0 0 "[ . 1 . 2]" 1
1960 1 98 PHE HE1 1 102 LEU QB . . 3.950 3.712 3.634 3.819 . 0 0 "[ . 1 . 2]" 1
1961 1 98 PHE HZ 1 102 LEU QB . . 5.120 3.861 3.748 4.012 . 0 0 "[ . 1 . 2]" 1
1962 1 99 VAL HA 1 102 LEU QB . . 3.950 2.123 2.047 2.181 . 0 0 "[ . 1 . 2]" 1
1963 1 99 VAL MG2 1 102 LEU QB . . 4.720 3.622 3.564 3.683 . 0 0 "[ . 1 . 2]" 1
1964 1 102 LEU H 1 102 LEU QB . . 2.930 2.163 2.152 2.185 . 0 0 "[ . 1 . 2]" 1
1965 1 102 LEU QB 1 103 SER H . . 3.830 2.626 2.566 2.730 . 0 0 "[ . 1 . 2]" 1
1966 1 108 VAL HA 1 111 LYS QG . . 3.410 2.389 2.322 2.461 . 0 0 "[ . 1 . 2]" 1
1967 1 108 VAL MG1 1 111 LYS QG . . 3.690 3.578 3.520 3.634 . 0 0 "[ . 1 . 2]" 1
1968 1 108 VAL MG1 1 112 TYR QB . . 3.720 3.422 3.371 3.512 . 0 0 "[ . 1 . 2]" 1
1969 1 108 VAL MG2 1 111 LYS QG . . 4.220 4.045 3.984 4.113 . 0 0 "[ . 1 . 2]" 1
1970 1 109 VAL HA 1 111 LYS QG . . 4.830 4.381 4.322 4.459 . 0 0 "[ . 1 . 2]" 1
1971 1 109 VAL HA 1 112 TYR QB . . 4.130 2.241 2.146 2.395 . 0 0 "[ . 1 . 2]" 1
1972 1 109 VAL HA 1 113 LEU QD . . 5.060 3.983 3.259 5.085 0.025 11 0 "[ . 1 . 2]" 1
1973 1 110 LYS H 1 111 LYS QG . . 4.710 4.038 3.949 4.109 . 0 0 "[ . 1 . 2]" 1
1974 1 110 LYS HA 1 113 LEU QB . . 4.040 2.812 2.738 2.916 . 0 0 "[ . 1 . 2]" 1
1975 1 110 LYS HA 1 113 LEU QD . . 4.100 3.318 2.845 4.014 . 0 0 "[ . 1 . 2]" 1
1976 1 110 LYS QB 1 113 LEU QB . . 5.340 4.355 4.240 4.429 . 0 0 "[ . 1 . 2]" 1
1977 1 110 LYS QB 1 113 LEU QD . . 5.160 4.440 4.059 5.150 . 0 0 "[ . 1 . 2]" 1
1978 1 110 LYS HG2 1 111 LYS QG . . 4.400 3.907 3.825 3.962 . 0 0 "[ . 1 . 2]" 1
1979 1 111 LYS H 1 111 LYS QG . . 3.030 2.176 2.114 2.228 . 0 0 "[ . 1 . 2]" 1
1980 1 111 LYS H 1 112 TYR QB . . 4.530 4.129 4.105 4.168 . 0 0 "[ . 1 . 2]" 1
1981 1 111 LYS HA 1 111 LYS QG . . 3.710 3.344 3.338 3.348 . 0 0 "[ . 1 . 2]" 1
1982 1 111 LYS QE 1 111 LYS QG . . 2.700 2.242 2.114 2.375 . 0 0 "[ . 1 . 2]" 1
1983 1 111 LYS QG 1 112 TYR H . . 3.600 2.555 2.488 2.621 . 0 0 "[ . 1 . 2]" 1
1984 1 111 LYS QG 1 112 TYR QB . . 4.100 3.144 3.084 3.217 . 0 0 "[ . 1 . 2]" 1
1985 1 112 TYR H 1 112 TYR QB . . 2.740 2.168 2.141 2.199 . 0 0 "[ . 1 . 2]" 1
1986 1 112 TYR QB 1 113 LEU H . . 4.210 3.016 2.956 3.281 . 0 0 "[ . 1 . 2]" 1
1987 1 112 TYR QD 1 113 LEU QD . . 5.030 2.668 2.119 3.528 . 0 0 "[ . 1 . 2]" 1
1988 1 112 TYR QE 1 113 LEU QD . . 3.330 2.801 2.552 3.347 0.017 11 0 "[ . 1 . 2]" 1
1989 1 113 LEU H 1 113 LEU QB . . 3.520 2.241 2.089 2.415 . 0 0 "[ . 1 . 2]" 1
1990 1 113 LEU H 1 113 LEU QD . . 4.620 3.101 2.586 3.723 . 0 0 "[ . 1 . 2]" 1
1991 1 113 LEU HA 1 113 LEU QD . . 2.650 2.023 1.850 2.252 . 0 0 "[ . 1 . 2]" 1
1992 1 114 GLU H 1 114 GLU QB . . 3.630 2.326 2.173 2.438 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 79
_Distance_constraint_stats_list.Viol_count 186
_Distance_constraint_stats_list.Viol_total 233.404
_Distance_constraint_stats_list.Viol_max 0.291
_Distance_constraint_stats_list.Viol_rms 0.0255
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.0627
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.014 0.014 15 0 "[ . 1 . 2]"
1 15 ARG 0.014 0.014 15 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.137 0.069 17 0 "[ . 1 . 2]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.371 0.185 12 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.137 0.069 17 0 "[ . 1 . 2]"
1 28 ILE 1.214 0.127 13 0 "[ . 1 . 2]"
1 31 LYS 2.827 0.291 19 0 "[ . 1 . 2]"
1 32 SER 2.153 0.291 19 0 "[ . 1 . 2]"
1 36 LEU 0.288 0.096 16 0 "[ . 1 . 2]"
1 37 ILE 0.630 0.087 18 0 "[ . 1 . 2]"
1 40 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 0.185 0.185 12 0 "[ . 1 . 2]"
1 47 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.240 0.059 3 0 "[ . 1 . 2]"
1 55 SER 1.344 0.138 11 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLY 1.237 0.138 11 0 "[ . 1 . 2]"
1 61 VAL 0.288 0.096 16 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 TYR 2.046 0.127 13 0 "[ . 1 . 2]"
1 67 LYS 0.891 0.100 18 0 "[ . 1 . 2]"
1 68 HIS 1.341 0.104 7 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 0.187 0.067 8 0 "[ . 1 . 2]"
1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.295 0.059 3 0 "[ . 1 . 2]"
1 95 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LYS 0.519 0.136 11 0 "[ . 1 . 2]"
1 98 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ILE 0.519 0.136 11 0 "[ . 1 . 2]"
1 101 THR 0.023 0.013 8 0 "[ . 1 . 2]"
1 102 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 SER 1.201 0.091 3 0 "[ . 1 . 2]"
1 104 LYS 1.885 0.150 20 0 "[ . 1 . 2]"
1 105 ALA 1.178 0.091 3 0 "[ . 1 . 2]"
1 106 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 SER 1.885 0.150 20 0 "[ . 1 . 2]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 TYR 0.157 0.048 19 0 "[ . 1 . 2]"
1 113 LEU 0.087 0.037 18 0 "[ . 1 . 2]"
1 115 ALA 0.048 0.048 19 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 1 112 TYR HD2 1 113 LEU MD2 . . 5.000 3.181 2.148 4.553 . 0 0 "[ . 1 . 2]" 2
2 1 113 LEU HA 1 113 LEU MD2 . . 4.000 2.479 2.000 3.832 . 0 0 "[ . 1 . 2]" 2
3 1 112 TYR HE2 1 113 LEU MD2 . . 5.000 3.331 2.588 5.037 0.037 18 0 "[ . 1 . 2]" 2
4 1 67 LYS HA 1 113 LEU MD2 . . 5.000 3.385 2.989 3.932 . 0 0 "[ . 1 . 2]" 2
5 1 67 LYS QG 1 113 LEU MD2 . . 4.000 3.015 2.195 3.863 . 0 0 "[ . 1 . 2]" 2
6 1 67 LYS QE 1 112 TYR HE2 . . 5.000 3.098 2.639 4.621 . 0 0 "[ . 1 . 2]" 2
7 1 67 LYS QE 1 112 TYR HD2 . . 5.000 2.704 2.186 5.022 0.022 14 0 "[ . 1 . 2]" 2
8 1 28 ILE MG 1 64 TYR HE2 . . 4.000 2.195 1.996 2.479 . 0 0 "[ . 1 . 2]" 2
9 1 28 ILE MD 1 64 TYR HE2 . . 4.000 2.015 1.887 2.154 . 0 0 "[ . 1 . 2]" 2
10 1 28 ILE MD 1 64 TYR HD2 . . 5.000 3.350 3.220 3.494 . 0 0 "[ . 1 . 2]" 2
11 1 37 ILE MD 1 64 TYR HD2 . . 5.000 2.331 2.066 2.556 . 0 0 "[ . 1 . 2]" 2
12 1 28 ILE H 1 68 HIS HD2 . . 4.900 4.884 4.658 4.987 0.087 19 0 "[ . 1 . 2]" 2
13 1 28 ILE HA 1 68 HIS HD2 . . 4.700 2.982 2.787 3.225 . 0 0 "[ . 1 . 2]" 2
14 1 31 LYS QE 1 68 HIS HD2 . . 4.300 3.772 2.705 4.404 0.104 7 0 "[ . 1 . 2]" 2
15 1 31 LYS QG 1 68 HIS HD2 . . 4.500 4.177 2.338 4.601 0.101 4 0 "[ . 1 . 2]" 2
16 1 77 LEU MD1 1 98 PHE HZ . . 5.000 4.498 4.210 4.786 . 0 0 "[ . 1 . 2]" 2
17 1 77 LEU MD1 1 98 PHE HE2 . . 5.000 3.212 2.915 3.585 . 0 0 "[ . 1 . 2]" 2
18 1 77 LEU MD2 1 98 PHE HZ . . 6.000 4.606 4.277 5.011 . 0 0 "[ . 1 . 2]" 2
19 1 77 LEU MD2 1 98 PHE HE2 . . 6.000 4.437 4.126 4.849 . 0 0 "[ . 1 . 2]" 2
20 1 63 LEU MD2 1 109 VAL MG2 . . 5.000 4.240 4.224 4.255 . 0 0 "[ . 1 . 2]" 2
21 1 63 LEU MD1 1 109 VAL MG2 . . 5.000 4.859 4.842 4.878 . 0 0 "[ . 1 . 2]" 2
22 1 63 LEU MD1 1 108 VAL MG1 . . 4.000 3.951 3.915 3.992 . 0 0 "[ . 1 . 2]" 2
23 1 67 LYS QG 1 109 VAL MG1 . . 5.000 2.645 2.237 2.780 . 0 0 "[ . 1 . 2]" 2
24 1 21 VAL MG1 1 78 GLU QG . . 4.000 2.722 2.517 3.565 . 0 0 "[ . 1 . 2]" 2
25 1 25 LYS QG 1 79 LEU MD1 . . 4.000 2.898 2.524 4.067 0.067 8 0 "[ . 1 . 2]" 2
26 1 21 VAL MG2 1 75 LYS QG . . 5.000 4.363 4.306 4.409 . 0 0 "[ . 1 . 2]" 2
27 1 62 ILE QG 1 76 ILE MG . . 5.000 2.075 2.027 2.141 . 0 0 "[ . 1 . 2]" 2
28 1 12 LEU MD2 1 102 LEU MD1 . . 5.000 3.259 3.121 3.359 . 0 0 "[ . 1 . 2]" 2
29 1 67 LYS QG 1 109 VAL HB . . 5.000 2.604 2.163 2.769 . 0 0 "[ . 1 . 2]" 2
30 1 25 LYS QG 1 41 ILE MG . . 4.000 2.706 2.344 4.185 0.185 12 0 "[ . 1 . 2]" 2
31 1 41 ILE QG 1 61 VAL MG2 . . 6.000 3.844 3.621 4.163 . 0 0 "[ . 1 . 2]" 2
32 1 37 ILE QG 1 64 TYR QB . . 4.000 2.637 2.186 3.075 . 0 0 "[ . 1 . 2]" 2
33 1 28 ILE MD 1 68 HIS QB . . 5.000 2.590 2.393 2.886 . 0 0 "[ . 1 . 2]" 2
34 1 28 ILE QG 1 68 HIS QB . . 4.500 4.205 3.983 4.447 . 0 0 "[ . 1 . 2]" 2
35 1 23 LYS QD 1 27 GLU QG . . 5.000 2.729 2.444 3.121 . 0 0 "[ . 1 . 2]" 2
36 1 23 LYS QB 1 27 GLU QG . . 5.000 4.732 4.525 5.069 0.069 17 0 "[ . 1 . 2]" 2
37 1 25 LYS QB 1 26 GLU QB . . 5.000 4.697 4.454 4.795 . 0 0 "[ . 1 . 2]" 2
38 1 16 ASP QB 1 18 GLY QA . . 5.000 3.760 3.695 3.838 . 0 0 "[ . 1 . 2]" 2
39 1 37 ILE MG 1 64 TYR HE2 . . 4.000 3.479 2.081 4.087 0.087 18 0 "[ . 1 . 2]" 2
40 1 37 ILE MD 1 64 TYR HE2 . . 5.000 3.580 2.798 3.940 . 0 0 "[ . 1 . 2]" 2
41 1 67 LYS QB 1 112 TYR HD2 . . 6.000 5.146 4.608 5.413 . 0 0 "[ . 1 . 2]" 2
42 1 67 LYS QG 1 112 TYR HD2 . . 4.000 3.398 3.002 3.637 . 0 0 "[ . 1 . 2]" 2
43 1 112 TYR QB 1 115 ALA MB . . 5.000 4.423 4.202 5.048 0.048 19 0 "[ . 1 . 2]" 2
44 1 67 LYS QB 1 113 LEU MD2 . . 5.000 3.881 3.142 4.792 . 0 0 "[ . 1 . 2]" 2
45 1 113 LEU HA 1 115 ALA MB . . 6.000 4.327 4.136 5.098 . 0 0 "[ . 1 . 2]" 2
46 1 104 LYS HA 1 107 SER HA . . 5.000 5.094 5.071 5.150 0.150 20 0 "[ . 1 . 2]" 2
47 1 108 VAL HA 1 111 LYS QB . . 5.000 4.232 4.135 4.287 . 0 0 "[ . 1 . 2]" 2
48 1 63 LEU QB 1 67 LYS QG . . 5.000 3.969 3.646 4.112 . 0 0 "[ . 1 . 2]" 2
49 1 8 LEU QB 1 11 GLU QB . . 5.000 4.356 4.256 4.556 . 0 0 "[ . 1 . 2]" 2
50 1 14 LYS QD 1 15 ARG QB . . 6.000 5.793 5.600 6.014 0.014 15 0 "[ . 1 . 2]" 2
51 1 14 LYS QG 1 15 ARG QB . . 6.000 4.785 4.533 4.929 . 0 0 "[ . 1 . 2]" 2
52 1 8 LEU MD2 1 106 TRP HD1 . . 5.100 4.198 4.046 4.514 . 0 0 "[ . 1 . 2]" 2
53 1 96 LYS HA 1 100 ILE HB . . 6.000 5.999 5.819 6.136 0.136 11 0 "[ . 1 . 2]" 2
54 1 100 ILE MG 1 104 LYS QD . . 5.000 2.834 2.551 4.400 . 0 0 "[ . 1 . 2]" 2
55 1 27 GLU QB 1 68 HIS HE1 . . 4.000 2.564 2.308 3.079 . 0 0 "[ . 1 . 2]" 2
56 1 54 ARG QB 1 85 LYS HA . . 5.000 4.115 3.635 4.811 . 0 0 "[ . 1 . 2]" 2
57 1 54 ARG QB 1 84 SER QB . . 5.300 4.691 4.162 5.162 . 0 0 "[ . 1 . 2]" 2
58 1 47 TYR HA 1 81 PRO QB . . 5.700 4.582 4.421 4.653 . 0 0 "[ . 1 . 2]" 2
59 1 17 SER QB 1 69 GLY QA . . 4.900 3.412 3.216 3.759 . 0 0 "[ . 1 . 2]" 2
60 1 24 ILE MG 1 70 VAL MG2 . . 3.800 2.878 2.654 3.199 . 0 0 "[ . 1 . 2]" 2
61 1 24 ILE MD 1 70 VAL MG2 . . 3.700 2.813 2.714 2.995 . 0 0 "[ . 1 . 2]" 2
62 1 24 ILE QG 1 70 VAL MG2 . . 3.900 2.500 2.369 2.588 . 0 0 "[ . 1 . 2]" 2
63 1 64 TYR HA 1 67 LYS QB . . 4.500 2.690 2.539 2.787 . 0 0 "[ . 1 . 2]" 2
64 1 64 TYR HA 1 67 LYS HA . . 5.400 5.441 5.370 5.500 0.100 18 0 "[ . 1 . 2]" 2
65 1 63 LEU QB 1 67 LYS QE . . 4.300 3.060 2.443 3.275 . 0 0 "[ . 1 . 2]" 2
66 1 36 LEU MD2 1 61 VAL MG2 . . 4.300 3.503 2.290 4.396 0.096 16 0 "[ . 1 . 2]" 2
67 1 40 ILE HB 1 61 VAL MG2 . . 4.300 3.585 3.418 3.781 . 0 0 "[ . 1 . 2]" 2
68 1 54 ARG QB 1 55 SER QB . . 5.200 4.550 3.669 5.226 0.026 20 0 "[ . 1 . 2]" 2
69 1 55 SER QB 1 56 ARG QB . . 5.200 4.363 3.824 4.729 . 0 0 "[ . 1 . 2]" 2
70 1 55 SER HA 1 57 GLY QA . . 5.400 5.462 5.411 5.538 0.138 11 0 "[ . 1 . 2]" 2
71 1 31 LYS HA 1 32 SER QB . . 5.100 4.549 3.881 4.891 . 0 0 "[ . 1 . 2]" 2
72 1 101 THR H 1 103 SER H . . 4.200 4.162 4.115 4.213 0.013 8 0 "[ . 1 . 2]" 2
73 1 103 SER HA 1 105 ALA H . . 4.400 4.459 4.433 4.491 0.091 3 0 "[ . 1 . 2]" 2
74 1 54 ARG QB 1 85 LYS QG . . 5.100 4.691 3.852 5.159 0.059 3 0 "[ . 1 . 2]" 2
75 1 55 SER H 1 85 LYS QD . . 4.900 4.309 3.701 4.950 0.050 6 0 "[ . 1 . 2]" 2
76 1 28 ILE HB 1 64 TYR HE2 . . 5.000 4.978 4.833 5.127 0.127 13 0 "[ . 1 . 2]" 2
77 1 31 LYS H 1 32 SER QB . . 5.500 4.571 3.625 5.687 0.187 6 0 "[ . 1 . 2]" 2
78 1 31 LYS H 1 32 SER HA . . 4.800 4.883 4.631 5.091 0.291 19 0 "[ . 1 . 2]" 2
79 1 95 GLN HA 1 98 PHE H . . 4.500 3.658 3.401 3.823 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 108
_Distance_constraint_stats_list.Viol_count 2160
_Distance_constraint_stats_list.Viol_total 28046.717
_Distance_constraint_stats_list.Viol_max 1.146
_Distance_constraint_stats_list.Viol_rms 0.2497
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6492
_Distance_constraint_stats_list.Viol_average_violations_only 0.6492
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 1 THR 31.299 1.034 19 20 [**********-*******+*]
1 2 VAL 26.856 0.930 20 20 [*************-*****+]
1 3 VAL 31.852 1.023 11 20 [*****-****+*********]
1 4 GLU 27.839 0.928 4 20 [-**+****************]
1 5 PHE 55.373 1.034 19 20 [******************+-]
1 6 GLU 54.593 0.968 5 20 [****+***-***********]
1 7 GLU 64.233 1.023 11 20 [*****-****+*********]
1 8 LEU 45.552 0.928 4 20 [***+*********-******]
1 9 ARG 56.697 1.053 5 20 [****+**************-]
1 10 LYS 60.762 1.014 15 20 [********-*****+*****]
1 11 GLU 59.584 0.998 1 20 [+**********-********]
1 12 LEU 17.713 0.724 6 20 [*****+*******-******]
1 13 VAL 32.623 1.053 5 20 [****+**************-]
1 14 LYS 33.024 1.014 15 20 [-*************+*****]
1 15 ARG 27.203 0.832 16 20 [***********-***+****]
1 21 VAL 31.486 1.025 17 20 [**-*************+***]
1 23 LYS 34.078 1.096 17 20 [*-**************+***]
1 24 ILE 13.729 0.589 5 7 "[ * + *1 * * - *]"
1 25 LYS 61.957 1.025 17 20 [*********-******+***]
1 26 GLU 34.388 0.989 10 20 [*****-***+**********]
1 27 GLU 34.078 1.096 17 20 [*-**************+***]
1 28 ILE 13.729 0.589 5 7 "[ * + *1 * * - *]"
1 29 CYS 30.471 0.951 17 20 [*********-******+***]
1 30 THR 34.388 0.989 10 20 [*****-***+**********]
1 35 LYS 22.233 0.948 12 18 "[ *********-+*******2]"
1 36 LEU 28.789 0.995 14 20 [***-*********+******]
1 37 ILE 29.693 1.146 9 15 "[***** * +1* -******]"
1 38 LYS 18.361 1.055 6 10 "[* **+ * * ** . - *]"
1 39 GLU 22.233 0.948 12 18 "[ *********-+*******2]"
1 40 ILE 28.789 0.995 14 20 [***-*********+******]
1 41 ILE 29.693 1.146 9 15 "[***** * +1* -******]"
1 42 CYS 18.361 1.055 6 10 "[* **+ * * ** . - *]"
1 54 ARG 24.665 0.965 8 20 [*******+****-*******]
1 55 SER 32.161 0.982 10 20 [*********+-*********]
1 56 ARG 30.137 1.008 14 20 [*****-*******+******]
1 57 GLY 13.442 0.582 17 10 "[* . ***** *.-+* 2]"
1 58 ASP 50.736 0.965 8 20 [-******+************]
1 59 TRP 52.704 0.982 10 20 [*********+****-*****]
1 60 HIS 58.736 1.008 14 20 [**********-**+******]
1 61 VAL 45.627 1.039 16 20 [***************+****]
1 62 ILE 60.136 1.054 8 20 [-******+************]
1 63 LEU 50.082 0.984 6 20 [*****+**********-***]
1 64 TYR 50.607 0.941 12 20 [******-****+********]
1 65 LEU 32.185 1.039 16 20 [**********-****+****]
1 66 MET 34.065 1.054 8 20 [*******+******-*****]
1 67 LYS 29.539 0.984 6 20 [*****+**********-***]
1 68 HIS 22.008 0.720 4 18 [***+.*-*******.*****]
1 73 PRO 17.767 0.665 1 19 "[+ **************-***]"
1 74 ASP 25.804 0.883 17 20 [**-*************+***]
1 75 LYS 37.475 1.035 14 20 [*******-*****+******]
1 77 LEU 17.767 0.665 1 19 "[+ **************-***]"
1 78 GLU 25.804 0.883 17 20 [**-*************+***]
1 79 LEU 37.475 1.035 14 20 [*******-*****+******]
1 91 LYS 32.636 1.077 14 20 [*************+-*****]
1 92 TRP 31.628 1.074 8 20 [*******+*-**********]
1 93 ASN 16.217 0.967 7 16 "[*-* **+**1 ***** ***]"
1 94 THR 18.968 0.833 17 16 "[***** *-*****+***]"
1 95 GLN 67.328 1.077 14 20 [*************+-*****]
1 96 LYS 59.770 1.074 8 20 [-******+************]
1 97 TYR 37.238 0.983 11 20 [*-********+*********]
1 98 PHE 31.434 0.833 17 17 "[***** -*******+***]"
1 99 VAL 43.950 1.058 17 20 [*****-**********+***]
1 100 ILE 61.848 1.108 15 20 [-*************+*****]
1 101 THR 35.552 0.983 11 20 [**********+***-*****]
1 102 LEU 27.952 0.669 3 19 "[**+*************** -]"
1 103 SER 35.401 0.912 15 20 [******-*******+*****]
1 104 LYS 61.384 1.108 15 20 [********-*****+*****]
1 105 ALA 38.486 0.810 4 20 [***+**********-*****]
1 106 TRP 31.965 0.669 3 20 [**+****************-]
1 107 SER 62.193 1.088 15 20 [******-*******+*****]
1 108 VAL 58.411 0.917 7 20 [******+*-***********]
1 109 VAL 38.990 0.810 4 20 [**-+****************]
1 110 LYS 43.698 0.907 2 20 [*+*-****************]
1 111 LYS 36.052 1.088 15 20 [********-*****+*****]
1 112 TYR 30.733 0.917 7 20 [******+***-*********]
1 113 LEU 15.035 0.715 19 8 "[ - * *1 **. *+*]"
1 114 GLU 27.219 0.907 2 19 "[*+***-************ *]"
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 6 GLU O 1 10 LYS N . . 2.400 3.267 3.139 3.368 0.968 5 20 [***-+***************] 3
2 1 6 GLU O 1 10 LYS H . . 1.800 2.320 2.195 2.417 0.617 11 12 "[ * * * -*+ * *** **]" 3
3 1 5 PHE O 1 9 ARG N . . 2.400 3.153 2.889 3.388 0.988 18 18 "[-********* **** *+**]" 3
4 1 5 PHE O 1 9 ARG H . . 1.800 2.251 1.990 2.467 0.667 2 9 "[ + **** * * . * -]" 3
5 1 4 GLU O 1 8 LEU N . . 2.400 3.202 3.066 3.328 0.928 4 20 [***+************-***] 3
6 1 4 GLU O 1 8 LEU H . . 1.800 2.390 2.214 2.470 0.670 7 17 "[-*****+**** **.* ***]" 3
7 1 3 VAL O 1 7 GLU N . . 2.400 3.327 3.267 3.423 1.023 11 20 [**-*******+*********] 3
8 1 3 VAL O 1 7 GLU H . . 1.800 2.466 2.410 2.518 0.718 10 20 [*****-***+**********] 3
9 1 2 VAL O 1 6 GLU N . . 2.400 3.218 2.962 3.330 0.930 20 20 [********-**********+] 3
10 1 2 VAL O 1 6 GLU H . . 1.800 2.324 2.014 2.480 0.680 19 13 "[* **.** * **-.* *+*]" 3
11 1 1 THR O 1 5 PHE N . . 2.400 3.311 3.153 3.434 1.034 19 20 [**********-*******+*] 3
12 1 1 THR O 1 5 PHE H . . 1.800 2.454 2.324 2.555 0.755 13 20 [**********-*+*******] 3
13 1 11 GLU O 1 15 ARG N . . 2.400 3.130 3.035 3.232 0.832 16 20 [*************-*+****] 3
14 1 11 GLU O 1 15 ARG H . . 1.800 2.430 2.280 2.504 0.704 16 19 [****.******-***+****] 3
15 1 10 LYS O 1 14 LYS N . . 2.400 3.320 3.263 3.414 1.014 15 20 [-*************+*****] 3
16 1 10 LYS O 1 14 LYS H . . 1.800 2.531 2.470 2.591 0.791 15 20 [-*************+*****] 3
17 1 9 ARG O 1 13 VAL N . . 2.400 3.416 3.327 3.453 1.053 5 20 [****+**************-] 3
18 1 9 ARG O 1 13 VAL H . . 1.800 2.415 2.322 2.459 0.659 5 20 [****+**************-] 3
19 1 8 LEU O 1 12 LEU N . . 2.400 3.021 2.945 3.124 0.724 6 20 [*****+*******-******] 3
20 1 8 LEU O 1 12 LEU H . . 1.800 2.065 1.997 2.167 0.367 6 0 "[ . 1 . 2]" 3
21 1 7 GLU O 1 11 GLU N . . 2.400 3.314 3.162 3.398 0.998 1 20 [+****-**************] 3
22 1 7 GLU O 1 11 GLU H . . 1.800 2.505 2.361 2.578 0.778 1 20 [+****-**************] 3
23 1 26 GLU O 1 30 THR N . . 2.400 3.311 3.138 3.389 0.989 10 20 [*****-***+**********] 3
24 1 26 GLU O 1 30 THR H . . 1.800 2.608 2.489 2.676 0.876 3 20 [**+**-**************] 3
25 1 25 LYS O 1 29 CYS N . . 2.400 3.283 3.135 3.351 0.951 17 20 [**************-*+***] 3
26 1 25 LYS O 1 29 CYS H . . 1.800 2.441 2.291 2.506 0.706 17 19 [*********-****.*+***] 3
27 1 24 ILE O 1 28 ILE N . . 2.400 2.903 2.820 2.989 0.589 5 7 "[ * + *1 * * - *]" 3
28 1 24 ILE O 1 28 ILE H . . 1.800 1.983 1.897 2.104 0.304 5 0 "[ . 1 . 2]" 3
29 1 23 LYS O 1 27 GLU N . . 2.400 3.435 3.389 3.496 1.096 17 20 [*-**************+***] 3
30 1 23 LYS O 1 27 GLU H . . 1.800 2.469 2.426 2.523 0.723 15 20 [*-************+*****] 3
31 1 21 VAL O 1 25 LYS N . . 2.400 3.369 3.197 3.425 1.025 17 20 [****************+**-] 3
32 1 21 VAL O 1 25 LYS H . . 1.800 2.406 2.219 2.506 0.706 12 18 "[ *-********+*******2]" 3
33 1 38 LYS O 1 42 CYS N . . 2.400 3.000 2.755 3.455 1.055 6 10 "[* **+ * * ** . - *]" 3
34 1 38 LYS O 1 42 CYS H . . 1.800 2.118 1.821 2.626 0.826 8 5 "[ .* + - ** . 2]" 3
35 1 37 ILE O 1 41 ILE N . . 2.400 3.323 2.787 3.546 1.146 9 15 "[***** * +1* -******]" 3
36 1 37 ILE O 1 41 ILE H . . 1.800 2.362 1.842 2.592 0.792 18 15 "[***** * *1* -***+**]" 3
37 1 36 LEU O 1 40 ILE N . . 2.400 3.241 3.041 3.395 0.995 14 20 [***********-*+******] 3
38 1 36 LEU O 1 40 ILE H . . 1.800 2.398 2.098 2.529 0.729 1 17 "[+**-* ***** *******]" 3
39 1 35 LYS O 1 39 GLU N . . 2.400 3.113 2.869 3.348 0.948 12 18 "[ *********-+*******2]" 3
40 1 35 LYS O 1 39 GLU H . . 1.800 2.199 1.945 2.420 0.620 5 5 "[ +* * * - 2]" 3
41 1 64 TYR O 1 68 HIS N . . 2.400 3.000 2.894 3.120 0.720 4 18 [***+.*********.**-**] 3
42 1 64 TYR O 1 68 HIS H . . 1.800 2.301 2.194 2.406 0.606 4 11 "[** +. - *1* **. * **]" 3
43 1 63 LEU O 1 67 LYS N . . 2.400 3.291 3.004 3.384 0.984 6 20 [*****+********-*****] 3
44 1 63 LEU O 1 67 LYS H . . 1.800 2.386 2.133 2.462 0.662 6 16 "[*****+ *******.*-* 2]" 3
45 1 62 ILE O 1 66 MET N . . 2.400 3.427 3.378 3.454 1.054 8 20 [*******+******-*****] 3
46 1 62 ILE O 1 66 MET H . . 1.800 2.476 2.432 2.504 0.704 16 20 [**************-+****] 3
47 1 61 VAL O 1 65 LEU N . . 2.400 3.377 3.329 3.439 1.039 16 20 [**********-****+****] 3
48 1 61 VAL O 1 65 LEU H . . 1.800 2.432 2.374 2.478 0.678 16 20 [**********-****+****] 3
49 1 60 HIS O 1 64 TYR N . . 2.400 3.255 3.139 3.341 0.941 12 20 [***********+******-*] 3
50 1 60 HIS O 1 64 TYR H . . 1.800 2.375 2.224 2.434 0.634 12 16 "[****** ***-+**.* * *]" 3
51 1 59 TRP O 1 63 LEU N . . 2.400 3.106 3.038 3.141 0.741 16 20 [**************-+****] 3
52 1 59 TRP O 1 63 LEU H . . 1.800 2.122 2.053 2.158 0.358 16 0 "[ . 1 . 2]" 3
53 1 58 ASP O 1 62 ILE N . . 2.400 3.212 2.925 3.335 0.935 5 20 [****+**************-] 3
54 1 58 ASP O 1 62 ILE H . . 1.800 2.291 1.986 2.422 0.622 5 12 "[-***+** *1 * ** *2]" 3
55 1 57 GLY O 1 61 VAL N . . 2.400 2.902 2.850 2.982 0.582 17 10 "[* . ***** *.-+* 2]" 3
56 1 57 GLY O 1 61 VAL H . . 1.800 1.970 1.900 2.066 0.266 17 0 "[ . 1 . 2]" 3
57 1 56 ARG O 1 60 HIS N . . 2.400 3.353 3.286 3.408 1.008 14 20 [**********-**+******] 3
58 1 56 ARG O 1 60 HIS H . . 1.800 2.353 2.285 2.410 0.610 14 19 "[*****-**** **+******]" 3
59 1 55 SER O 1 59 TRP N . . 2.400 3.314 3.235 3.382 0.982 10 20 [***-*****+**********] 3
60 1 55 SER O 1 59 TRP H . . 1.800 2.494 2.450 2.548 0.748 5 20 [****+*****-*********] 3
61 1 54 ARG O 1 58 ASP N . . 2.400 3.186 2.950 3.365 0.965 8 20 [*****-*+************] 3
62 1 54 ARG O 1 58 ASP H . . 1.800 2.247 1.994 2.449 0.649 18 6 "[ . * 1* -*. *+ 2]" 3
63 1 75 LYS O 1 79 LEU N . . 2.400 3.388 3.313 3.435 1.035 14 20 [**********-**+******] 3
64 1 75 LYS O 1 79 LEU H . . 1.800 2.686 2.617 2.733 0.933 13 20 [*******-****+*******] 3
65 1 74 ASP O 1 78 GLU N . . 2.400 3.178 2.979 3.283 0.883 17 20 [***********-****+***] 3
66 1 74 ASP O 1 78 GLU H . . 1.800 2.312 2.071 2.429 0.629 4 14 "[**-+* ** ** **.*** 2]" 3
67 1 73 PRO O 1 77 LEU N . . 2.400 3.002 2.881 3.065 0.665 1 19 "[+ **************-***]" 3
68 1 73 PRO O 1 77 LEU H . . 1.800 2.086 1.919 2.181 0.381 12 0 "[ . 1 . 2]" 3
69 1 110 LYS O 1 114 GLU N . . 2.400 3.191 2.833 3.307 0.907 2 19 "[*+**********-***** *]" 3
70 1 110 LYS O 1 114 GLU H . . 1.800 2.370 1.944 2.461 0.661 11 17 "[*****-****+* **** *]" 3
71 1 109 VAL O 1 113 LEU N . . 2.400 2.908 2.802 3.115 0.715 19 8 "[ - * *1 **. *+*]" 3
72 1 109 VAL O 1 113 LEU H . . 1.800 2.044 1.914 2.459 0.659 19 1 "[ . 1 . +2]" 3
73 1 108 VAL O 1 112 TYR N . . 2.400 3.250 3.212 3.317 0.917 7 20 [******+************-] 3
74 1 108 VAL O 1 112 TYR H . . 1.800 2.487 2.431 2.546 0.746 7 20 [******+***-*********] 3
75 1 107 SER O 1 111 LYS N . . 2.400 3.462 3.426 3.488 1.088 15 20 [***********-**+*****] 3
76 1 107 SER O 1 111 LYS H . . 1.800 2.541 2.505 2.565 0.765 15 20 [********-*****+*****] 3
77 1 106 TRP O 1 110 LYS N . . 2.400 2.974 2.922 3.015 0.615 11 20 [***-******+*********] 3
78 1 106 TRP O 1 110 LYS H . . 1.800 2.050 1.995 2.100 0.300 11 0 "[ . 1 . 2]" 3
79 1 105 ALA O 1 109 VAL N . . 2.400 3.184 3.145 3.210 0.810 4 20 [***+**************-*] 3
80 1 105 ALA O 1 109 VAL H . . 1.800 2.214 2.169 2.238 0.438 4 0 "[ . 1 . 2]" 3
81 1 104 LYS O 1 108 VAL N . . 2.400 3.193 3.113 3.262 0.862 19 20 [********-*********+*] 3
82 1 104 LYS O 1 108 VAL H . . 1.800 2.391 2.310 2.452 0.652 19 20 [********-*********+*] 3
83 1 103 SER O 1 107 SER N . . 2.400 3.173 3.083 3.312 0.912 15 20 [**************+*-***] 3
84 1 103 SER O 1 107 SER H . . 1.800 2.334 2.245 2.448 0.648 15 13 "[*** . -**1 * *+* ***]" 3
85 1 102 LEU O 1 106 TRP N . . 2.400 2.973 2.896 3.069 0.669 3 19 "[**+*************** -]" 3
86 1 102 LEU O 1 106 TRP H . . 1.800 2.001 1.946 2.088 0.288 3 0 "[ . 1 . 2]" 3
87 1 101 THR O 1 105 ALA N . . 2.400 2.910 2.847 2.952 0.552 14 13 "[ * **** *1***+- * *2]" 3
88 1 101 THR O 1 105 ALA H . . 1.800 2.017 1.944 2.063 0.263 14 0 "[ . 1 . 2]" 3
89 1 100 ILE O 1 104 LYS N . . 2.400 3.419 3.399 3.508 1.108 15 20 [****-*********+*****] 3
90 1 100 ILE O 1 104 LYS H . . 1.800 2.466 2.442 2.532 0.732 9 20 [******-*+***********] 3
91 1 99 VAL O 1 103 SER N . . 2.400 2.808 2.760 2.849 0.449 8 0 "[ . 1 . 2]" 3
92 1 99 VAL O 1 103 SER H . . 1.800 1.855 1.816 1.885 0.085 8 0 "[ . 1 . 2]" 3
93 1 98 PHE O 1 102 LEU N . . 2.400 2.866 2.824 3.038 0.638 15 3 "[ . -1* + 2]" 3
94 1 98 PHE O 1 102 LEU H . . 1.800 1.957 1.912 2.135 0.335 15 0 "[ . 1 . 2]" 3
95 1 97 TYR O 1 101 THR N . . 2.400 3.107 3.002 3.383 0.983 11 20 [**-*******+*********] 3
96 1 97 TYR O 1 101 THR H . . 1.800 2.144 2.041 2.423 0.623 11 1 "[ . 1+ . 2]" 3
97 1 96 LYS O 1 100 ILE N . . 2.400 3.263 3.154 3.389 0.989 6 20 [*****+***-**********] 3
98 1 96 LYS O 1 100 ILE H . . 1.800 2.344 2.218 2.485 0.685 6 16 "[-* .+***1**********]" 3
99 1 95 GLN O 1 99 VAL N . . 2.400 3.432 3.397 3.458 1.058 17 20 [**********-*****+***] 3
100 1 95 GLN O 1 99 VAL H . . 1.800 2.502 2.472 2.532 0.732 17 20 [*****-**********+***] 3
101 1 94 THR O 1 98 PHE N . . 2.400 3.023 2.820 3.233 0.833 17 16 "[***** *-*****+***]" 3
102 1 94 THR O 1 98 PHE H . . 1.800 2.125 1.886 2.414 0.614 17 2 "[ - . 1 . + 2]" 3
103 1 93 ASN O 1 97 TYR N . . 2.400 2.998 2.794 3.367 0.967 7 16 "[*-* **+**1 ***** ***]" 3
104 1 93 ASN O 1 97 TYR H . . 1.800 2.012 1.841 2.406 0.606 7 2 "[ . + 1 - 2]" 3
105 1 92 TRP O 1 96 LYS N . . 2.400 3.354 3.025 3.474 1.074 8 20 [**-****+************] 3
106 1 92 TRP O 1 96 LYS H . . 1.800 2.427 2.094 2.556 0.756 8 18 "[** *** +*-**********]" 3
107 1 91 LYS O 1 95 GLN N . . 2.400 3.392 3.078 3.477 1.077 14 20 [******-******+******] 3
108 1 91 LYS O 1 95 GLN H . . 1.800 2.439 2.123 2.557 0.757 11 18 "[****** **+***-*****]" 3
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