NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580195 |
2mjm   |
19732 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mjm
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 1228
_Distance_constraint_stats_list.Viol_count 3356
_Distance_constraint_stats_list.Viol_total 4745.136
_Distance_constraint_stats_list.Viol_max 0.462
_Distance_constraint_stats_list.Viol_rms 0.0351
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0097
_Distance_constraint_stats_list.Viol_average_violations_only 0.0707
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.814 0.199 13 0 "[ . 1 . 2]"
1 4 GLY 0.064 0.039 13 0 "[ . 1 . 2]"
1 5 SER 0.808 0.143 9 0 "[ . 1 . 2]"
1 6 MET 3.060 0.314 6 0 "[ . 1 . 2]"
1 7 ASP 3.593 0.194 8 0 "[ . 1 . 2]"
1 8 ALA 0.790 0.084 13 0 "[ . 1 . 2]"
1 9 GLU 5.086 0.225 2 0 "[ . 1 . 2]"
1 10 SER 5.031 0.222 7 0 "[ . 1 . 2]"
1 11 ILE 8.457 0.225 2 0 "[ . 1 . 2]"
1 12 ARG 2.206 0.125 15 0 "[ . 1 . 2]"
1 13 LEU 3.336 0.191 11 0 "[ . 1 . 2]"
1 16 GLU 0.772 0.237 7 0 "[ . 1 . 2]"
1 17 ASN 1.866 0.266 8 0 "[ . 1 . 2]"
1 18 LEU 4.118 0.299 17 0 "[ . 1 . 2]"
1 19 TRP 0.696 0.173 9 0 "[ . 1 . 2]"
1 20 ALA 1.170 0.085 2 0 "[ . 1 . 2]"
1 21 TRP 1.751 0.376 19 0 "[ . 1 . 2]"
1 22 LEU 0.466 0.150 19 0 "[ . 1 . 2]"
1 23 VAL 1.673 0.085 2 0 "[ . 1 . 2]"
1 24 ARG 1.732 0.142 11 0 "[ . 1 . 2]"
1 25 LEU 5.734 0.376 19 0 "[ . 1 . 2]"
1 26 LEU 11.943 0.397 16 0 "[ . 1 . 2]"
1 27 SER 3.041 0.142 11 0 "[ . 1 . 2]"
1 28 LYS 7.381 0.190 10 0 "[ . 1 . 2]"
1 29 ASN 10.000 0.240 19 0 "[ . 1 . 2]"
1 30 PRO 1.642 0.079 15 0 "[ . 1 . 2]"
1 31 GLU 1.194 0.079 5 0 "[ . 1 . 2]"
1 32 TRP 17.864 0.331 5 0 "[ . 1 . 2]"
1 33 LEU 6.990 0.243 12 0 "[ . 1 . 2]"
1 34 SER 1.278 0.107 6 0 "[ . 1 . 2]"
1 35 ALA 3.152 0.216 7 0 "[ . 1 . 2]"
1 36 LYS 7.752 0.285 10 0 "[ . 1 . 2]"
1 37 LEU 2.196 0.243 12 0 "[ . 1 . 2]"
1 38 ARG 8.922 0.264 16 0 "[ . 1 . 2]"
1 39 SER 6.064 0.271 6 0 "[ . 1 . 2]"
1 40 PHE 11.526 0.283 4 0 "[ . 1 . 2]"
1 41 LEU 8.698 0.198 14 0 "[ . 1 . 2]"
1 42 PRO 1.682 0.128 15 0 "[ . 1 . 2]"
1 43 THR 3.280 0.219 20 0 "[ . 1 . 2]"
1 44 MET 11.566 0.413 18 0 "[ . 1 . 2]"
1 45 ASP 0.785 0.143 10 0 "[ . 1 . 2]"
1 46 LEU 3.547 0.190 19 0 "[ . 1 . 2]"
1 47 ASP 2.460 0.182 12 0 "[ . 1 . 2]"
1 48 CYS 1.648 0.118 8 0 "[ . 1 . 2]"
1 49 SER 0.660 0.083 7 0 "[ . 1 . 2]"
1 50 TYR 5.814 0.253 10 0 "[ . 1 . 2]"
1 51 GLU 10.614 0.288 20 0 "[ . 1 . 2]"
1 52 PRO 1.415 0.103 2 0 "[ . 1 . 2]"
1 53 SER 1.358 0.094 4 0 "[ . 1 . 2]"
1 54 ASN 5.660 0.145 12 0 "[ . 1 . 2]"
1 55 PRO 0.840 0.084 11 0 "[ . 1 . 2]"
1 56 GLU 3.549 0.219 1 0 "[ . 1 . 2]"
1 57 VAL 4.739 0.216 12 0 "[ . 1 . 2]"
1 58 ILE 3.300 0.093 10 0 "[ . 1 . 2]"
1 59 HIS 1.633 0.129 5 0 "[ . 1 . 2]"
1 60 ARG 3.083 0.341 8 0 "[ . 1 . 2]"
1 61 GLN 5.735 0.179 6 0 "[ . 1 . 2]"
1 62 LEU 5.078 0.179 6 0 "[ . 1 . 2]"
1 63 ASN 5.875 0.171 14 0 "[ . 1 . 2]"
1 64 ARG 4.986 0.190 6 0 "[ . 1 . 2]"
1 65 LEU 3.725 0.163 9 0 "[ . 1 . 2]"
1 66 PHE 0.265 0.105 8 0 "[ . 1 . 2]"
1 67 ALA 0.143 0.036 20 0 "[ . 1 . 2]"
1 68 GLN 9.538 0.208 1 0 "[ . 1 . 2]"
1 69 GLY 5.192 0.154 2 0 "[ . 1 . 2]"
1 70 MET 0.098 0.098 1 0 "[ . 1 . 2]"
1 71 ALA 4.465 0.154 2 0 "[ . 1 . 2]"
1 72 THR 8.364 0.283 4 0 "[ . 1 . 2]"
1 73 TRP 2.230 0.143 15 0 "[ . 1 . 2]"
1 74 LYS 9.678 0.267 11 0 "[ . 1 . 2]"
1 75 SER 5.659 0.214 6 0 "[ . 1 . 2]"
1 76 PHE 4.021 0.126 5 0 "[ . 1 . 2]"
1 77 ILE 6.722 0.420 16 0 "[ . 1 . 2]"
1 78 ASN 0.751 0.119 18 0 "[ . 1 . 2]"
1 79 ASP 1.737 0.084 14 0 "[ . 1 . 2]"
1 80 LEU 4.877 0.331 5 0 "[ . 1 . 2]"
1 81 CYS 2.005 0.126 12 0 "[ . 1 . 2]"
1 82 PHE 1.373 0.066 13 0 "[ . 1 . 2]"
1 83 GLU 4.194 0.216 3 0 "[ . 1 . 2]"
1 84 LEU 2.486 0.125 13 0 "[ . 1 . 2]"
1 85 ASP 0.266 0.076 5 0 "[ . 1 . 2]"
1 88 LEU 2.074 0.175 5 0 "[ . 1 . 2]"
1 91 GLU 2.492 0.361 8 0 "[ . 1 . 2]"
1 92 ILE 14.361 0.462 8 0 "[ . 1 . 2]"
1 93 PRO 4.486 0.127 16 0 "[ . 1 . 2]"
1 94 LEU 3.426 0.361 8 0 "[ . 1 . 2]"
1 95 VAL 23.295 0.462 8 0 "[ . 1 . 2]"
1 96 SER 6.697 0.236 12 0 "[ . 1 . 2]"
1 97 ILE 3.793 0.143 15 0 "[ . 1 . 2]"
1 98 TRP 1.570 0.163 13 0 "[ . 1 . 2]"
1 99 GLY 0.399 0.116 9 0 "[ . 1 . 2]"
1 100 PRO 0.523 0.105 12 0 "[ . 1 . 2]"
1 101 ARG 2.045 0.199 4 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 1 GLY QA 1 2 PRO HD3 . . 3.200 2.156 1.914 2.387 . 0 0 "[ . 1 . 2]" 1
2 1 3 LEU H 1 3 LEU QB . . 3.720 2.627 2.243 3.384 . 0 0 "[ . 1 . 2]" 1
3 1 3 LEU HA 1 3 LEU MD2 . . 3.660 2.926 2.046 3.859 0.199 13 0 "[ . 1 . 2]" 1
4 1 3 LEU QB 1 3 LEU MD2 . . 3.030 2.202 1.948 2.339 . 0 0 "[ . 1 . 2]" 1
5 1 3 LEU QB 1 4 GLY H . . 4.880 3.046 1.840 3.926 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLY QA 1 5 SER HA . . 4.140 4.038 3.898 4.179 0.039 13 0 "[ . 1 . 2]" 1
7 1 5 SER HA 1 5 SER QB . . 2.750 2.329 2.167 2.391 . 0 0 "[ . 1 . 2]" 1
8 1 5 SER QB 1 6 MET H . . 4.830 3.069 2.006 3.737 . 0 0 "[ . 1 . 2]" 1
9 1 5 SER QB 1 6 MET HA . . 4.420 4.399 4.107 4.563 0.143 9 0 "[ . 1 . 2]" 1
10 1 5 SER QB 1 7 ASP H . . 4.160 3.122 2.200 4.178 0.018 19 0 "[ . 1 . 2]" 1
11 1 6 MET H 1 6 MET HB3 . . 4.010 3.024 2.413 4.074 0.064 18 0 "[ . 1 . 2]" 1
12 1 6 MET H 1 6 MET HG2 . . 5.210 4.375 2.150 5.254 0.044 19 0 "[ . 1 . 2]" 1
13 1 6 MET H 1 6 MET HG3 . . 4.940 4.174 2.679 4.883 . 0 0 "[ . 1 . 2]" 1
14 1 6 MET HA 1 6 MET HG3 . . 3.690 2.940 2.480 4.004 0.314 6 0 "[ . 1 . 2]" 1
15 1 6 MET HA 1 7 ASP H . . 3.310 2.992 1.984 3.337 0.027 16 0 "[ . 1 . 2]" 1
16 1 6 MET HA 1 8 ALA H . . 4.760 3.375 2.728 4.334 . 0 0 "[ . 1 . 2]" 1
17 1 6 MET HB2 1 7 ASP H . . 4.060 4.046 3.515 4.254 0.194 8 0 "[ . 1 . 2]" 1
18 1 6 MET HB3 1 6 MET HG3 . . 2.990 2.622 2.243 3.023 0.033 3 0 "[ . 1 . 2]" 1
19 1 6 MET HB3 1 7 ASP H . . 4.390 3.825 3.148 4.388 . 0 0 "[ . 1 . 2]" 1
20 1 6 MET HG2 1 74 LYS QB . . 4.180 3.842 2.020 4.276 0.096 3 0 "[ . 1 . 2]" 1
21 1 6 MET HG2 1 74 LYS QD . . 3.470 2.886 2.099 3.523 0.053 2 0 "[ . 1 . 2]" 1
22 1 7 ASP H 1 7 ASP QB . . 3.220 2.514 2.287 2.869 . 0 0 "[ . 1 . 2]" 1
23 1 7 ASP H 1 8 ALA H . . 3.710 2.571 1.799 3.683 . 0 0 "[ . 1 . 2]" 1
24 1 7 ASP HA 1 8 ALA H . . 2.990 2.938 2.296 3.024 0.034 8 0 "[ . 1 . 2]" 1
25 1 7 ASP HA 1 8 ALA MB . . 4.710 4.612 4.113 4.729 0.019 8 0 "[ . 1 . 2]" 1
26 1 7 ASP HA 1 9 GLU H . . 4.890 3.028 2.792 3.431 . 0 0 "[ . 1 . 2]" 1
27 1 7 ASP HA 1 10 SER QB . . 4.450 4.454 3.921 4.581 0.131 9 0 "[ . 1 . 2]" 1
28 1 7 ASP QB 1 8 ALA H . . 3.720 3.686 3.597 3.782 0.062 11 0 "[ . 1 . 2]" 1
29 1 7 ASP QB 1 9 GLU QG . . 4.150 4.076 3.307 4.309 0.159 14 0 "[ . 1 . 2]" 1
30 1 7 ASP QB 1 10 SER H . . 4.500 4.145 3.319 4.574 0.074 8 0 "[ . 1 . 2]" 1
31 1 7 ASP QB 1 10 SER QB . . 4.230 3.753 2.962 4.304 0.074 8 0 "[ . 1 . 2]" 1
32 1 8 ALA H 1 8 ALA MB . . 2.890 2.258 2.184 2.312 . 0 0 "[ . 1 . 2]" 1
33 1 8 ALA HA 1 11 ILE H . . 4.200 3.481 3.308 3.665 . 0 0 "[ . 1 . 2]" 1
34 1 8 ALA HA 1 11 ILE HB . . 3.350 3.182 2.824 3.434 0.084 13 0 "[ . 1 . 2]" 1
35 1 8 ALA HA 1 11 ILE MD . . 3.890 2.480 1.810 3.419 . 0 0 "[ . 1 . 2]" 1
36 1 8 ALA MB 1 11 ILE MD . . 4.510 3.829 3.043 4.558 0.048 1 0 "[ . 1 . 2]" 1
37 1 8 ALA MB 1 92 ILE MD . . 4.140 3.816 2.684 4.203 0.063 2 0 "[ . 1 . 2]" 1
38 1 9 GLU H 1 9 GLU QB . . 2.800 2.744 2.361 2.854 0.054 12 0 "[ . 1 . 2]" 1
39 1 9 GLU H 1 9 GLU QG . . 3.630 1.775 1.572 2.485 . 0 0 "[ . 1 . 2]" 1
40 1 9 GLU H 1 10 SER H . . 3.420 2.671 2.430 2.884 . 0 0 "[ . 1 . 2]" 1
41 1 9 GLU H 1 11 ILE MD . . 4.680 4.166 3.685 4.782 0.102 9 0 "[ . 1 . 2]" 1
42 1 9 GLU HA 1 9 GLU QB . . 2.670 2.146 2.124 2.191 . 0 0 "[ . 1 . 2]" 1
43 1 9 GLU HA 1 10 SER H . . 3.520 3.460 3.384 3.531 0.011 2 0 "[ . 1 . 2]" 1
44 1 9 GLU QB 1 9 GLU QG . . 2.400 2.027 1.972 2.063 . 0 0 "[ . 1 . 2]" 1
45 1 9 GLU QB 1 10 SER H . . 3.370 3.261 2.983 3.417 0.047 8 0 "[ . 1 . 2]" 1
46 1 9 GLU QB 1 92 ILE HA . . 4.770 4.035 3.258 4.795 0.025 11 0 "[ . 1 . 2]" 1
47 1 9 GLU QG 1 10 SER H . . 4.490 2.637 1.862 3.246 . 0 0 "[ . 1 . 2]" 1
48 1 9 GLU QG 1 11 ILE MD . . 4.600 4.702 4.368 4.825 0.225 2 0 "[ . 1 . 2]" 1
49 1 9 GLU QG 1 92 ILE HA . . 4.750 4.756 4.127 4.922 0.172 15 0 "[ . 1 . 2]" 1
50 1 9 GLU QG 1 92 ILE MD . . 4.810 3.827 2.836 4.688 . 0 0 "[ . 1 . 2]" 1
51 1 10 SER H 1 10 SER QB . . 3.100 2.296 2.148 2.436 . 0 0 "[ . 1 . 2]" 1
52 1 10 SER H 1 11 ILE H . . 3.460 2.600 2.390 2.730 . 0 0 "[ . 1 . 2]" 1
53 1 10 SER H 1 11 ILE MD . . 5.410 3.099 2.828 3.529 . 0 0 "[ . 1 . 2]" 1
54 1 10 SER H 1 12 ARG H . . 4.220 4.142 3.944 4.287 0.067 15 0 "[ . 1 . 2]" 1
55 1 10 SER HA 1 10 SER QB . . 2.710 2.381 2.299 2.424 . 0 0 "[ . 1 . 2]" 1
56 1 10 SER HA 1 11 ILE H . . 3.440 3.451 3.354 3.498 0.058 6 0 "[ . 1 . 2]" 1
57 1 10 SER HA 1 11 ILE MD . . 4.350 4.023 3.811 4.381 0.031 8 0 "[ . 1 . 2]" 1
58 1 10 SER QB 1 11 ILE H . . 3.570 2.622 2.279 3.115 . 0 0 "[ . 1 . 2]" 1
59 1 10 SER QB 1 11 ILE HG12 . . 4.040 4.122 3.369 4.262 0.222 7 0 "[ . 1 . 2]" 1
60 1 11 ILE H 1 11 ILE HB . . 3.060 2.361 2.205 2.735 . 0 0 "[ . 1 . 2]" 1
61 1 11 ILE H 1 11 ILE MD . . 4.500 2.082 1.635 2.654 . 0 0 "[ . 1 . 2]" 1
62 1 11 ILE H 1 11 ILE HG12 . . 3.430 3.335 2.035 3.624 0.194 6 0 "[ . 1 . 2]" 1
63 1 11 ILE H 1 11 ILE MG . . 3.970 3.673 3.625 3.779 . 0 0 "[ . 1 . 2]" 1
64 1 11 ILE H 1 12 ARG H . . 3.690 2.384 2.256 2.619 . 0 0 "[ . 1 . 2]" 1
65 1 11 ILE HA 1 11 ILE HG12 . . 3.790 3.665 3.344 3.808 0.018 7 0 "[ . 1 . 2]" 1
66 1 11 ILE HA 1 11 ILE HG13 . . 3.560 2.874 2.317 3.728 0.168 9 0 "[ . 1 . 2]" 1
67 1 11 ILE HA 1 11 ILE MG . . 3.160 2.448 2.267 2.619 . 0 0 "[ . 1 . 2]" 1
68 1 11 ILE HB 1 11 ILE MD . . 3.530 2.632 2.239 3.248 . 0 0 "[ . 1 . 2]" 1
69 1 11 ILE HB 1 11 ILE HG12 . . 2.960 2.392 2.227 2.805 . 0 0 "[ . 1 . 2]" 1
70 1 11 ILE HB 1 12 ARG H . . 3.600 2.731 2.220 3.232 . 0 0 "[ . 1 . 2]" 1
71 1 11 ILE HB 1 12 ARG QG . . 3.910 3.023 2.271 3.510 . 0 0 "[ . 1 . 2]" 1
72 1 11 ILE HG12 1 11 ILE MG . . 3.540 2.500 2.170 3.187 . 0 0 "[ . 1 . 2]" 1
73 1 11 ILE HG13 1 11 ILE MG . . 3.230 2.418 2.138 2.805 . 0 0 "[ . 1 . 2]" 1
74 1 11 ILE MG 1 12 ARG H . . 4.140 3.543 3.228 3.751 . 0 0 "[ . 1 . 2]" 1
75 1 11 ILE MG 1 12 ARG HA . . 3.890 3.495 2.950 3.910 0.020 2 0 "[ . 1 . 2]" 1
76 1 11 ILE MG 1 12 ARG QG . . 3.990 3.352 2.017 3.993 0.003 6 0 "[ . 1 . 2]" 1
77 1 12 ARG H 1 12 ARG HB2 . . 3.540 2.389 2.149 2.446 . 0 0 "[ . 1 . 2]" 1
78 1 12 ARG H 1 12 ARG HB3 . . 3.520 3.582 3.440 3.645 0.125 15 0 "[ . 1 . 2]" 1
79 1 12 ARG H 1 12 ARG QD . . 4.620 3.663 3.271 4.107 . 0 0 "[ . 1 . 2]" 1
80 1 12 ARG H 1 13 LEU QB . . 5.410 4.694 3.777 5.078 . 0 0 "[ . 1 . 2]" 1
81 1 12 ARG HA 1 12 ARG HB2 . . 2.960 2.986 2.944 3.003 0.043 16 0 "[ . 1 . 2]" 1
82 1 12 ARG HA 1 12 ARG QD . . 3.320 2.043 1.887 2.235 . 0 0 "[ . 1 . 2]" 1
83 1 12 ARG HA 1 12 ARG QG . . 3.230 2.904 2.583 3.020 . 0 0 "[ . 1 . 2]" 1
84 1 12 ARG HB2 1 12 ARG QG . . 2.660 2.165 2.148 2.181 . 0 0 "[ . 1 . 2]" 1
85 1 12 ARG HB2 1 13 LEU H . . 4.400 2.866 1.992 3.704 . 0 0 "[ . 1 . 2]" 1
86 1 12 ARG HB3 1 12 ARG QD . . 3.660 2.511 2.223 3.117 . 0 0 "[ . 1 . 2]" 1
87 1 12 ARG QG 1 13 LEU H . . 4.590 4.224 3.709 4.655 0.065 1 0 "[ . 1 . 2]" 1
88 1 13 LEU H 1 13 LEU QB . . 2.940 2.890 2.144 3.121 0.181 5 0 "[ . 1 . 2]" 1
89 1 13 LEU H 1 13 LEU MD2 . . 5.270 3.133 2.065 4.405 . 0 0 "[ . 1 . 2]" 1
90 1 13 LEU HA 1 13 LEU QB . . 2.690 2.425 2.347 2.480 . 0 0 "[ . 1 . 2]" 1
91 1 13 LEU HA 1 13 LEU MD1 . . 3.540 2.892 1.944 3.731 0.191 11 0 "[ . 1 . 2]" 1
92 1 13 LEU HA 1 13 LEU MD2 . . 3.070 2.468 1.906 3.121 0.051 7 0 "[ . 1 . 2]" 1
93 1 16 GLU H 1 16 GLU QB . . 3.080 2.419 2.136 2.665 . 0 0 "[ . 1 . 2]" 1
94 1 16 GLU H 1 16 GLU QG . . 4.120 2.761 1.825 4.012 . 0 0 "[ . 1 . 2]" 1
95 1 16 GLU HA 1 16 GLU QB . . 2.580 2.351 2.133 2.408 . 0 0 "[ . 1 . 2]" 1
96 1 16 GLU HA 1 16 GLU QG . . 2.940 2.505 2.363 3.177 0.237 7 0 "[ . 1 . 2]" 1
97 1 16 GLU HA 1 18 LEU H . . 4.430 4.114 3.829 4.467 0.037 1 0 "[ . 1 . 2]" 1
98 1 16 GLU HA 1 19 TRP H . . 3.550 3.305 3.012 3.592 0.042 17 0 "[ . 1 . 2]" 1
99 1 16 GLU HA 1 19 TRP QB . . 3.060 2.753 2.149 3.233 0.173 9 0 "[ . 1 . 2]" 1
100 1 16 GLU QB 1 17 ASN H . . 4.240 2.756 2.409 3.560 . 0 0 "[ . 1 . 2]" 1
101 1 16 GLU QB 1 17 ASN HA . . 4.190 3.984 3.800 4.220 0.030 6 0 "[ . 1 . 2]" 1
102 1 16 GLU QB 1 18 LEU H . . 5.240 4.657 4.352 5.242 0.002 7 0 "[ . 1 . 2]" 1
103 1 16 GLU QG 1 17 ASN H . . 5.430 4.020 2.305 4.682 . 0 0 "[ . 1 . 2]" 1
104 1 17 ASN H 1 17 ASN HB2 . . 3.410 2.468 2.203 2.569 . 0 0 "[ . 1 . 2]" 1
105 1 17 ASN H 1 17 ASN HB3 . . 3.650 3.446 2.527 3.657 0.007 14 0 "[ . 1 . 2]" 1
106 1 17 ASN H 1 17 ASN HD21 . . 5.370 3.847 2.122 4.803 . 0 0 "[ . 1 . 2]" 1
107 1 17 ASN H 1 18 LEU H . . 4.320 2.573 2.260 2.783 . 0 0 "[ . 1 . 2]" 1
108 1 17 ASN HA 1 17 ASN HD21 . . 3.960 2.899 1.867 3.961 0.001 10 0 "[ . 1 . 2]" 1
109 1 17 ASN HA 1 17 ASN HD22 . . 4.050 3.856 3.468 4.199 0.149 2 0 "[ . 1 . 2]" 1
110 1 17 ASN HA 1 20 ALA H . . 4.270 3.478 3.187 3.770 . 0 0 "[ . 1 . 2]" 1
111 1 17 ASN HA 1 20 ALA MB . . 2.940 2.789 2.297 2.974 0.034 2 0 "[ . 1 . 2]" 1
112 1 17 ASN HB2 1 18 LEU H . . 3.740 2.908 2.054 3.773 0.033 16 0 "[ . 1 . 2]" 1
113 1 17 ASN HB2 1 18 LEU MD1 . . 5.090 4.983 4.149 5.356 0.266 8 0 "[ . 1 . 2]" 1
114 1 17 ASN HB3 1 18 LEU H . . 4.310 3.446 2.434 3.913 . 0 0 "[ . 1 . 2]" 1
115 1 18 LEU H 1 18 LEU QB . . 3.360 2.286 1.884 2.471 . 0 0 "[ . 1 . 2]" 1
116 1 18 LEU H 1 18 LEU MD1 . . 4.520 3.592 2.384 4.037 . 0 0 "[ . 1 . 2]" 1
117 1 18 LEU H 1 18 LEU MD2 . . 5.020 3.276 1.901 4.157 . 0 0 "[ . 1 . 2]" 1
118 1 18 LEU HA 1 18 LEU MD2 . . 3.090 2.637 1.982 3.389 0.299 17 0 "[ . 1 . 2]" 1
119 1 18 LEU HA 1 21 TRP QB . . 4.240 2.520 2.127 2.902 . 0 0 "[ . 1 . 2]" 1
120 1 18 LEU HA 1 22 LEU H . . 4.840 4.053 3.845 4.521 . 0 0 "[ . 1 . 2]" 1
121 1 18 LEU QB 1 19 TRP H . . 3.990 2.657 2.344 3.578 . 0 0 "[ . 1 . 2]" 1
122 1 18 LEU MD1 1 93 PRO HA . . 4.450 4.045 3.501 4.531 0.081 16 0 "[ . 1 . 2]" 1
123 1 18 LEU MD1 1 93 PRO HB2 . . 2.890 2.461 1.991 2.987 0.097 17 0 "[ . 1 . 2]" 1
124 1 18 LEU MD1 1 93 PRO HB3 . . 3.750 2.792 2.339 3.425 . 0 0 "[ . 1 . 2]" 1
125 1 18 LEU MD1 1 94 LEU H . . 4.300 3.525 2.917 4.244 . 0 0 "[ . 1 . 2]" 1
126 1 18 LEU MD1 1 94 LEU HA . . 3.500 3.078 2.278 3.571 0.071 9 0 "[ . 1 . 2]" 1
127 1 18 LEU MD1 1 94 LEU MD1 . . 3.380 2.905 1.913 3.460 0.080 11 0 "[ . 1 . 2]" 1
128 1 18 LEU MD1 1 97 ILE MD . . 4.190 3.802 2.273 4.301 0.111 20 0 "[ . 1 . 2]" 1
129 1 18 LEU MD2 1 19 TRP H . . 5.180 4.092 3.051 4.734 . 0 0 "[ . 1 . 2]" 1
130 1 18 LEU MD2 1 21 TRP QB . . 4.870 4.036 3.201 4.931 0.061 16 0 "[ . 1 . 2]" 1
131 1 18 LEU MD2 1 93 PRO HB2 . . 4.410 3.538 2.654 3.936 . 0 0 "[ . 1 . 2]" 1
132 1 18 LEU MD2 1 93 PRO HB3 . . 4.210 3.876 2.881 4.288 0.078 12 0 "[ . 1 . 2]" 1
133 1 18 LEU MD2 1 94 LEU H . . 4.970 4.424 2.989 5.050 0.080 10 0 "[ . 1 . 2]" 1
134 1 19 TRP H 1 19 TRP QB . . 3.150 2.259 2.219 2.295 . 0 0 "[ . 1 . 2]" 1
135 1 19 TRP H 1 19 TRP HD1 . . 5.500 5.003 4.902 5.154 . 0 0 "[ . 1 . 2]" 1
136 1 19 TRP H 1 20 ALA H . . 3.860 2.633 2.510 2.792 . 0 0 "[ . 1 . 2]" 1
137 1 19 TRP H 1 97 ILE MD . . 5.360 3.042 2.361 4.980 . 0 0 "[ . 1 . 2]" 1
138 1 19 TRP HA 1 19 TRP HE3 . . 3.450 2.447 2.093 2.970 . 0 0 "[ . 1 . 2]" 1
139 1 19 TRP HA 1 22 LEU H . . 4.230 3.441 3.131 3.625 . 0 0 "[ . 1 . 2]" 1
140 1 19 TRP HA 1 22 LEU QB . . 3.550 2.631 2.319 3.123 . 0 0 "[ . 1 . 2]" 1
141 1 19 TRP HA 1 97 ILE MD . . 4.680 2.654 1.899 4.232 . 0 0 "[ . 1 . 2]" 1
142 1 19 TRP QB 1 20 ALA H . . 3.330 2.516 2.365 2.893 . 0 0 "[ . 1 . 2]" 1
143 1 19 TRP QB 1 20 ALA HA . . 4.600 4.168 4.070 4.366 . 0 0 "[ . 1 . 2]" 1
144 1 19 TRP QB 1 20 ALA MB . . 5.350 3.856 3.732 4.108 . 0 0 "[ . 1 . 2]" 1
145 1 19 TRP HD1 1 20 ALA H . . 4.960 4.009 3.398 4.426 . 0 0 "[ . 1 . 2]" 1
146 1 19 TRP HD1 1 20 ALA HA . . 4.590 4.057 3.307 4.600 0.010 12 0 "[ . 1 . 2]" 1
147 1 19 TRP HD1 1 20 ALA MB . . 4.980 4.214 3.471 4.749 . 0 0 "[ . 1 . 2]" 1
148 1 19 TRP HE3 1 23 VAL MG2 . . 4.640 4.050 3.590 4.653 0.013 9 0 "[ . 1 . 2]" 1
149 1 19 TRP HE3 1 97 ILE MD . . 4.780 2.226 1.808 3.518 . 0 0 "[ . 1 . 2]" 1
150 1 19 TRP HE3 1 97 ILE HG13 . . 4.940 4.344 2.052 5.036 0.096 11 0 "[ . 1 . 2]" 1
151 1 19 TRP HE3 1 97 ILE MG . . 4.850 3.180 2.362 4.057 . 0 0 "[ . 1 . 2]" 1
152 1 19 TRP HH2 1 62 LEU QB . . 4.460 2.488 1.885 4.328 . 0 0 "[ . 1 . 2]" 1
153 1 19 TRP HZ2 1 23 VAL MG2 . . 4.770 3.269 3.044 3.502 . 0 0 "[ . 1 . 2]" 1
154 1 19 TRP HZ2 1 59 HIS HD2 . . 4.680 2.598 2.012 4.690 0.010 6 0 "[ . 1 . 2]" 1
155 1 19 TRP HZ3 1 62 LEU QB . . 4.450 3.404 2.543 4.466 0.016 17 0 "[ . 1 . 2]" 1
156 1 19 TRP HZ3 1 97 ILE MG . . 4.700 3.407 2.447 4.573 . 0 0 "[ . 1 . 2]" 1
157 1 20 ALA H 1 20 ALA MB . . 2.830 2.247 2.217 2.278 . 0 0 "[ . 1 . 2]" 1
158 1 20 ALA HA 1 23 VAL H . . 4.050 3.572 3.410 3.741 . 0 0 "[ . 1 . 2]" 1
159 1 20 ALA HA 1 23 VAL HB . . 3.400 2.685 2.611 2.815 . 0 0 "[ . 1 . 2]" 1
160 1 20 ALA HA 1 23 VAL MG1 . . 4.320 3.978 3.898 4.121 . 0 0 "[ . 1 . 2]" 1
161 1 20 ALA HA 1 23 VAL MG2 . . 4.110 3.398 2.762 3.882 . 0 0 "[ . 1 . 2]" 1
162 1 20 ALA HA 1 24 ARG H . . 4.950 3.925 3.684 4.186 . 0 0 "[ . 1 . 2]" 1
163 1 20 ALA MB 1 21 TRP H . . 4.160 2.538 2.345 2.808 . 0 0 "[ . 1 . 2]" 1
164 1 20 ALA MB 1 21 TRP HA . . 4.880 3.898 3.823 4.005 . 0 0 "[ . 1 . 2]" 1
165 1 20 ALA MB 1 23 VAL MG1 . . 4.730 4.780 4.720 4.815 0.085 2 0 "[ . 1 . 2]" 1
166 1 20 ALA MB 1 23 VAL MG2 . . 5.120 4.525 4.020 4.884 . 0 0 "[ . 1 . 2]" 1
167 1 21 TRP H 1 21 TRP QB . . 3.740 2.207 2.112 2.299 . 0 0 "[ . 1 . 2]" 1
168 1 21 TRP H 1 22 LEU H . . 4.190 2.744 2.601 2.906 . 0 0 "[ . 1 . 2]" 1
169 1 21 TRP QB 1 22 LEU H . . 4.100 2.555 2.339 2.838 . 0 0 "[ . 1 . 2]" 1
170 1 21 TRP HE1 1 88 LEU MD1 . . 5.500 3.461 2.058 5.539 0.039 5 0 "[ . 1 . 2]" 1
171 1 21 TRP HH2 1 25 LEU MD1 . . 4.430 4.141 1.834 4.484 0.054 18 0 "[ . 1 . 2]" 1
172 1 21 TRP HH2 1 25 LEU HG . . 3.870 3.361 2.527 4.246 0.376 19 0 "[ . 1 . 2]" 1
173 1 21 TRP HZ2 1 25 LEU MD1 . . 4.220 4.086 2.272 4.279 0.059 16 0 "[ . 1 . 2]" 1
174 1 21 TRP HZ2 1 25 LEU HG . . 4.140 3.076 2.414 4.303 0.163 19 0 "[ . 1 . 2]" 1
175 1 21 TRP HZ2 1 88 LEU MD1 . . 4.290 3.696 2.328 4.374 0.084 4 0 "[ . 1 . 2]" 1
176 1 22 LEU H 1 22 LEU QB . . 3.530 2.194 2.147 2.381 . 0 0 "[ . 1 . 2]" 1
177 1 22 LEU H 1 22 LEU MD1 . . 4.620 4.155 3.976 4.285 . 0 0 "[ . 1 . 2]" 1
178 1 22 LEU H 1 23 VAL H . . 4.820 2.765 2.671 2.842 . 0 0 "[ . 1 . 2]" 1
179 1 22 LEU HA 1 22 LEU MD1 . . 3.430 2.705 2.068 3.518 0.088 12 0 "[ . 1 . 2]" 1
180 1 22 LEU HA 1 22 LEU HG . . 4.110 3.481 3.051 3.851 . 0 0 "[ . 1 . 2]" 1
181 1 22 LEU HA 1 25 LEU QB . . 4.470 3.014 2.303 3.304 . 0 0 "[ . 1 . 2]" 1
182 1 22 LEU HA 1 25 LEU MD1 . . 4.680 4.630 4.472 4.830 0.150 19 0 "[ . 1 . 2]" 1
183 1 22 LEU HA 1 26 LEU H . . 4.590 3.869 3.351 4.028 . 0 0 "[ . 1 . 2]" 1
184 1 22 LEU QB 1 23 VAL H . . 4.210 2.336 2.254 2.623 . 0 0 "[ . 1 . 2]" 1
185 1 22 LEU MD1 1 26 LEU HG . . 2.890 2.429 2.000 2.987 0.097 12 0 "[ . 1 . 2]" 1
186 1 23 VAL H 1 23 VAL HB . . 3.340 2.432 2.347 2.547 . 0 0 "[ . 1 . 2]" 1
187 1 23 VAL H 1 23 VAL MG1 . . 3.720 3.739 3.704 3.768 0.048 12 0 "[ . 1 . 2]" 1
188 1 23 VAL H 1 23 VAL MG2 . . 3.450 2.210 2.080 2.304 . 0 0 "[ . 1 . 2]" 1
189 1 23 VAL H 1 24 ARG H . . 3.780 2.827 2.741 2.939 . 0 0 "[ . 1 . 2]" 1
190 1 23 VAL HA 1 23 VAL MG1 . . 3.220 2.524 2.450 2.567 . 0 0 "[ . 1 . 2]" 1
191 1 23 VAL HA 1 23 VAL MG2 . . 3.250 2.287 2.228 2.347 . 0 0 "[ . 1 . 2]" 1
192 1 23 VAL HA 1 26 LEU H . . 4.790 3.893 3.657 4.105 . 0 0 "[ . 1 . 2]" 1
193 1 23 VAL HA 1 26 LEU QB . . 3.590 3.053 2.769 3.320 . 0 0 "[ . 1 . 2]" 1
194 1 23 VAL HA 1 26 LEU HG . . 4.140 4.090 3.791 4.181 0.041 14 0 "[ . 1 . 2]" 1
195 1 23 VAL HA 1 27 SER H . . 4.510 4.216 4.005 4.441 . 0 0 "[ . 1 . 2]" 1
196 1 23 VAL HA 1 58 ILE MG . . 3.220 2.172 1.951 2.451 . 0 0 "[ . 1 . 2]" 1
197 1 23 VAL HB 1 24 ARG H . . 3.450 2.681 2.405 2.855 . 0 0 "[ . 1 . 2]" 1
198 1 23 VAL MG1 1 24 ARG H . . 4.780 3.210 3.108 3.401 . 0 0 "[ . 1 . 2]" 1
199 1 23 VAL MG1 1 24 ARG HA . . 4.410 3.140 3.017 3.345 . 0 0 "[ . 1 . 2]" 1
200 1 23 VAL MG1 1 55 PRO HA . . 3.230 2.140 1.942 2.422 . 0 0 "[ . 1 . 2]" 1
201 1 23 VAL MG1 1 55 PRO HB2 . . 4.270 3.432 2.928 3.819 . 0 0 "[ . 1 . 2]" 1
202 1 23 VAL MG1 1 55 PRO HB3 . . 3.450 2.300 1.939 2.525 . 0 0 "[ . 1 . 2]" 1
203 1 23 VAL MG1 1 58 ILE HB . . 3.240 2.636 2.250 3.142 . 0 0 "[ . 1 . 2]" 1
204 1 23 VAL MG1 1 58 ILE HG12 . . 4.310 3.666 3.050 4.241 . 0 0 "[ . 1 . 2]" 1
205 1 23 VAL MG2 1 24 ARG H . . 4.310 3.966 3.798 4.077 . 0 0 "[ . 1 . 2]" 1
206 1 23 VAL MG2 1 55 PRO HB3 . . 4.550 3.843 2.500 4.479 . 0 0 "[ . 1 . 2]" 1
207 1 24 ARG H 1 24 ARG QB . . 3.390 2.354 2.181 2.495 . 0 0 "[ . 1 . 2]" 1
208 1 24 ARG H 1 24 ARG QG . . 4.190 3.103 2.190 4.110 . 0 0 "[ . 1 . 2]" 1
209 1 24 ARG H 1 25 LEU QB . . 4.220 4.254 4.227 4.289 0.069 13 0 "[ . 1 . 2]" 1
210 1 24 ARG H 1 27 SER H . . 4.700 4.567 4.467 4.697 . 0 0 "[ . 1 . 2]" 1
211 1 24 ARG HA 1 27 SER H . . 3.390 3.335 3.062 3.429 0.039 3 0 "[ . 1 . 2]" 1
212 1 24 ARG HA 1 27 SER QB . . 2.400 2.441 2.369 2.542 0.142 11 0 "[ . 1 . 2]" 1
213 1 24 ARG QB 1 25 LEU H . . 5.070 2.672 2.369 2.982 . 0 0 "[ . 1 . 2]" 1
214 1 25 LEU H 1 25 LEU QB . . 3.730 2.169 2.133 2.202 . 0 0 "[ . 1 . 2]" 1
215 1 25 LEU H 1 25 LEU MD1 . . 4.970 4.259 4.202 4.333 . 0 0 "[ . 1 . 2]" 1
216 1 25 LEU H 1 26 LEU H . . 3.960 2.593 2.433 2.789 . 0 0 "[ . 1 . 2]" 1
217 1 25 LEU H 1 26 LEU HG . . 4.720 4.613 4.433 4.799 0.079 5 0 "[ . 1 . 2]" 1
218 1 25 LEU HA 1 25 LEU MD1 . . 2.940 2.903 2.278 2.979 0.039 8 0 "[ . 1 . 2]" 1
219 1 25 LEU HA 1 25 LEU HG . . 4.010 3.809 3.214 3.892 . 0 0 "[ . 1 . 2]" 1
220 1 25 LEU HA 1 28 LYS H . . 4.430 3.572 3.405 3.954 . 0 0 "[ . 1 . 2]" 1
221 1 25 LEU HA 1 28 LYS QB . . 4.330 3.407 3.062 4.017 . 0 0 "[ . 1 . 2]" 1
222 1 25 LEU HA 1 28 LYS QE . . 4.220 2.208 1.944 2.876 . 0 0 "[ . 1 . 2]" 1
223 1 25 LEU HA 1 28 LYS HG2 . . 4.050 4.122 3.977 4.177 0.127 5 0 "[ . 1 . 2]" 1
224 1 25 LEU QB 1 25 LEU MD1 . . 3.260 2.320 2.245 2.422 . 0 0 "[ . 1 . 2]" 1
225 1 25 LEU QB 1 26 LEU H . . 3.130 2.500 2.379 2.622 . 0 0 "[ . 1 . 2]" 1
226 1 25 LEU QB 1 27 SER H . . 5.030 4.490 4.413 4.586 . 0 0 "[ . 1 . 2]" 1
227 1 25 LEU MD1 1 26 LEU H . . 4.510 3.563 3.468 4.181 . 0 0 "[ . 1 . 2]" 1
228 1 25 LEU MD1 1 26 LEU HG . . 4.670 4.127 3.691 4.710 0.040 19 0 "[ . 1 . 2]" 1
229 1 25 LEU MD1 1 28 LYS H . . 5.310 4.230 4.015 4.466 . 0 0 "[ . 1 . 2]" 1
230 1 25 LEU MD1 1 28 LYS QB . . 4.690 3.498 3.186 3.684 . 0 0 "[ . 1 . 2]" 1
231 1 25 LEU MD1 1 28 LYS QE . . 4.340 3.490 2.632 4.385 0.045 12 0 "[ . 1 . 2]" 1
232 1 25 LEU MD1 1 29 ASN HB3 . . 4.460 4.428 3.812 4.625 0.165 19 0 "[ . 1 . 2]" 1
233 1 25 LEU MD1 1 29 ASN HD21 . . 3.410 2.140 1.893 3.476 0.066 4 0 "[ . 1 . 2]" 1
234 1 25 LEU MD1 1 84 LEU MD1 . . 3.780 1.856 1.773 2.081 . 0 0 "[ . 1 . 2]" 1
235 1 25 LEU HG 1 26 LEU H . . 5.190 4.821 3.270 5.034 . 0 0 "[ . 1 . 2]" 1
236 1 25 LEU HG 1 84 LEU MD1 . . 3.600 3.587 2.496 3.725 0.125 13 0 "[ . 1 . 2]" 1
237 1 26 LEU H 1 26 LEU QB . . 3.070 2.323 2.298 2.377 . 0 0 "[ . 1 . 2]" 1
238 1 26 LEU H 1 26 LEU MD1 . . 3.750 3.823 3.755 3.902 0.152 5 0 "[ . 1 . 2]" 1
239 1 26 LEU H 1 26 LEU HG . . 3.860 2.589 2.423 2.939 . 0 0 "[ . 1 . 2]" 1
240 1 26 LEU H 1 27 SER H . . 3.470 2.563 2.523 2.601 . 0 0 "[ . 1 . 2]" 1
241 1 26 LEU H 1 28 LYS H . . 4.760 3.924 3.760 4.069 . 0 0 "[ . 1 . 2]" 1
242 1 26 LEU HA 1 26 LEU MD1 . . 2.840 3.135 2.893 3.237 0.397 16 0 "[ . 1 . 2]" 1
243 1 26 LEU HA 1 29 ASN H . . 3.930 2.986 2.763 3.302 . 0 0 "[ . 1 . 2]" 1
244 1 26 LEU HA 1 29 ASN HB2 . . 4.380 2.382 2.162 4.233 . 0 0 "[ . 1 . 2]" 1
245 1 26 LEU HA 1 29 ASN HB3 . . 3.700 3.830 3.773 3.907 0.207 5 0 "[ . 1 . 2]" 1
246 1 26 LEU HA 1 29 ASN HD21 . . 5.180 3.174 2.763 4.447 . 0 0 "[ . 1 . 2]" 1
247 1 26 LEU HA 1 84 LEU MD1 . . 4.220 3.860 3.484 4.097 . 0 0 "[ . 1 . 2]" 1
248 1 26 LEU QB 1 26 LEU MD1 . . 2.910 1.892 1.858 2.012 . 0 0 "[ . 1 . 2]" 1
249 1 26 LEU QB 1 27 SER H . . 3.740 2.918 2.858 3.025 . 0 0 "[ . 1 . 2]" 1
250 1 26 LEU MD1 1 29 ASN HB2 . . 4.610 4.371 3.593 4.713 0.103 5 0 "[ . 1 . 2]" 1
251 1 26 LEU MD1 1 32 TRP HE3 . . 3.610 3.385 3.022 3.675 0.065 19 0 "[ . 1 . 2]" 1
252 1 26 LEU MD1 1 32 TRP HH2 . . 4.650 4.141 3.704 4.700 0.050 1 0 "[ . 1 . 2]" 1
253 1 26 LEU MD1 1 32 TRP HZ3 . . 3.420 2.511 2.099 3.065 . 0 0 "[ . 1 . 2]" 1
254 1 26 LEU MD1 1 33 LEU H . . 4.890 4.727 4.324 4.948 0.058 1 0 "[ . 1 . 2]" 1
255 1 26 LEU MD1 1 33 LEU HB3 . . 4.570 4.190 3.761 4.580 0.010 4 0 "[ . 1 . 2]" 1
256 1 26 LEU MD1 1 84 LEU MD1 . . 3.480 3.526 3.319 3.571 0.091 19 0 "[ . 1 . 2]" 1
257 1 26 LEU HG 1 27 SER H . . 4.860 4.665 4.554 4.827 . 0 0 "[ . 1 . 2]" 1
258 1 27 SER H 1 27 SER QB . . 3.790 2.238 2.154 2.376 . 0 0 "[ . 1 . 2]" 1
259 1 27 SER H 1 28 LYS H . . 3.440 2.489 2.343 2.682 . 0 0 "[ . 1 . 2]" 1
260 1 27 SER H 1 28 LYS HG2 . . 4.490 4.574 4.550 4.607 0.117 19 0 "[ . 1 . 2]" 1
261 1 27 SER H 1 29 ASN H . . 4.710 3.825 3.673 3.958 . 0 0 "[ . 1 . 2]" 1
262 1 27 SER H 1 58 ILE MD . . 3.980 3.958 3.730 4.024 0.044 14 0 "[ . 1 . 2]" 1
263 1 27 SER H 1 58 ILE HG13 . . 5.050 4.110 3.520 4.642 . 0 0 "[ . 1 . 2]" 1
264 1 27 SER H 1 58 ILE MG . . 4.790 4.271 3.769 4.829 0.039 14 0 "[ . 1 . 2]" 1
265 1 27 SER HA 1 29 ASN H . . 4.730 3.648 3.415 3.792 . 0 0 "[ . 1 . 2]" 1
266 1 27 SER HA 1 58 ILE MD . . 3.470 2.483 2.112 3.054 . 0 0 "[ . 1 . 2]" 1
267 1 27 SER QB 1 28 LYS H . . 4.780 3.134 2.887 3.767 . 0 0 "[ . 1 . 2]" 1
268 1 27 SER QB 1 58 ILE MD . . 4.220 3.460 2.989 3.964 . 0 0 "[ . 1 . 2]" 1
269 1 28 LYS H 1 28 LYS QB . . 3.140 2.579 2.548 2.645 . 0 0 "[ . 1 . 2]" 1
270 1 28 LYS H 1 28 LYS QE . . 4.850 4.024 3.790 4.367 . 0 0 "[ . 1 . 2]" 1
271 1 28 LYS H 1 28 LYS HG2 . . 3.530 2.895 2.761 3.011 . 0 0 "[ . 1 . 2]" 1
272 1 28 LYS H 1 28 LYS HG3 . . 3.920 2.228 1.976 2.354 . 0 0 "[ . 1 . 2]" 1
273 1 28 LYS H 1 29 ASN H . . 3.140 2.251 2.045 2.350 . 0 0 "[ . 1 . 2]" 1
274 1 28 LYS H 1 29 ASN HD21 . . 4.460 3.646 3.222 4.492 0.032 6 0 "[ . 1 . 2]" 1
275 1 28 LYS HA 1 28 LYS QD . . 3.700 3.771 3.747 3.805 0.105 14 0 "[ . 1 . 2]" 1
276 1 28 LYS HA 1 28 LYS HG2 . . 3.520 2.538 2.471 2.657 . 0 0 "[ . 1 . 2]" 1
277 1 28 LYS HA 1 28 LYS HG3 . . 3.240 3.370 3.326 3.430 0.190 10 0 "[ . 1 . 2]" 1
278 1 28 LYS QB 1 28 LYS QD . . 3.150 2.217 2.038 2.314 . 0 0 "[ . 1 . 2]" 1
279 1 28 LYS QB 1 28 LYS QE . . 4.470 2.288 2.011 3.465 . 0 0 "[ . 1 . 2]" 1
280 1 28 LYS QB 1 29 ASN HD21 . . 4.010 2.770 2.347 3.910 . 0 0 "[ . 1 . 2]" 1
281 1 28 LYS HG3 1 29 ASN H . . 4.710 4.225 3.887 4.365 . 0 0 "[ . 1 . 2]" 1
282 1 29 ASN H 1 29 ASN HB2 . . 3.980 2.680 2.519 3.919 . 0 0 "[ . 1 . 2]" 1
283 1 29 ASN H 1 29 ASN HB3 . . 3.660 3.700 3.336 3.748 0.088 10 0 "[ . 1 . 2]" 1
284 1 29 ASN H 1 29 ASN HD21 . . 4.000 3.244 2.973 4.002 0.002 6 0 "[ . 1 . 2]" 1
285 1 29 ASN H 1 30 PRO HA . . 4.480 4.320 4.163 4.487 0.007 17 0 "[ . 1 . 2]" 1
286 1 29 ASN H 1 30 PRO HD2 . . 4.040 3.988 3.667 4.076 0.036 5 0 "[ . 1 . 2]" 1
287 1 29 ASN H 1 30 PRO HD3 . . 4.710 2.533 2.350 2.683 . 0 0 "[ . 1 . 2]" 1
288 1 29 ASN HA 1 29 ASN HD21 . . 4.210 3.819 2.350 4.301 0.091 14 0 "[ . 1 . 2]" 1
289 1 29 ASN HA 1 30 PRO HD2 . . 3.080 3.054 2.704 3.155 0.075 4 0 "[ . 1 . 2]" 1
290 1 29 ASN HA 1 31 GLU H . . 4.300 3.164 3.037 3.414 . 0 0 "[ . 1 . 2]" 1
291 1 29 ASN HA 1 31 GLU HB2 . . 4.610 3.835 3.483 4.518 . 0 0 "[ . 1 . 2]" 1
292 1 29 ASN HA 1 32 TRP H . . 4.990 3.409 3.252 3.672 . 0 0 "[ . 1 . 2]" 1
293 1 29 ASN HB2 1 29 ASN HD21 . . 3.590 2.368 2.158 3.578 . 0 0 "[ . 1 . 2]" 1
294 1 29 ASN HB2 1 32 TRP H . . 4.040 4.198 3.570 4.280 0.240 19 0 "[ . 1 . 2]" 1
295 1 29 ASN HB2 1 32 TRP QB . . 3.520 3.335 2.096 3.504 . 0 0 "[ . 1 . 2]" 1
296 1 29 ASN HB2 1 33 LEU H . . 4.830 4.200 3.377 4.470 . 0 0 "[ . 1 . 2]" 1
297 1 29 ASN HB2 1 84 LEU MD1 . . 4.150 3.729 3.248 3.928 . 0 0 "[ . 1 . 2]" 1
298 1 29 ASN HB2 1 84 LEU MD2 . . 3.900 3.367 2.581 3.907 0.007 4 0 "[ . 1 . 2]" 1
299 1 29 ASN HB3 1 29 ASN HD21 . . 3.350 3.253 1.987 3.410 0.060 15 0 "[ . 1 . 2]" 1
300 1 29 ASN HB3 1 32 TRP QB . . 4.420 2.159 1.968 3.641 . 0 0 "[ . 1 . 2]" 1
301 1 29 ASN HB3 1 84 LEU MD1 . . 4.200 4.010 3.467 4.244 0.044 6 0 "[ . 1 . 2]" 1
302 1 29 ASN HB3 1 84 LEU MD2 . . 4.570 2.893 2.635 3.238 . 0 0 "[ . 1 . 2]" 1
303 1 29 ASN HD21 1 84 LEU MD1 . . 3.750 3.562 2.464 3.794 0.044 17 0 "[ . 1 . 2]" 1
304 1 30 PRO HA 1 33 LEU H . . 4.100 3.434 3.271 3.635 . 0 0 "[ . 1 . 2]" 1
305 1 30 PRO HA 1 33 LEU HB2 . . 4.000 3.183 2.512 3.533 . 0 0 "[ . 1 . 2]" 1
306 1 30 PRO HA 1 33 LEU HB3 . . 4.480 2.574 2.169 3.966 . 0 0 "[ . 1 . 2]" 1
307 1 30 PRO HA 1 33 LEU HG . . 4.260 4.154 3.890 4.339 0.079 15 0 "[ . 1 . 2]" 1
308 1 30 PRO HA 1 34 SER H . . 4.520 3.735 3.494 4.028 . 0 0 "[ . 1 . 2]" 1
309 1 30 PRO HB3 1 31 GLU H . . 4.320 4.150 4.038 4.247 . 0 0 "[ . 1 . 2]" 1
310 1 30 PRO HD2 1 31 GLU H . . 3.860 2.129 2.031 2.290 . 0 0 "[ . 1 . 2]" 1
311 1 30 PRO HD3 1 31 GLU QG . . 3.910 3.946 3.820 3.989 0.079 5 0 "[ . 1 . 2]" 1
312 1 30 PRO QG 1 31 GLU H . . 3.860 3.504 2.534 3.713 . 0 0 "[ . 1 . 2]" 1
313 1 31 GLU H 1 31 GLU HB2 . . 2.890 2.511 2.397 2.617 . 0 0 "[ . 1 . 2]" 1
314 1 31 GLU H 1 31 GLU QG . . 3.570 1.977 1.817 2.121 . 0 0 "[ . 1 . 2]" 1
315 1 31 GLU H 1 32 TRP H . . 3.250 2.630 2.442 2.738 . 0 0 "[ . 1 . 2]" 1
316 1 31 GLU H 1 33 LEU H . . 4.610 3.932 3.677 4.093 . 0 0 "[ . 1 . 2]" 1
317 1 31 GLU HA 1 31 GLU QG . . 3.010 2.672 2.410 3.042 0.032 5 0 "[ . 1 . 2]" 1
318 1 31 GLU HB2 1 32 TRP H . . 3.480 2.595 2.262 2.747 . 0 0 "[ . 1 . 2]" 1
319 1 31 GLU HB3 1 32 TRP H . . 3.800 3.781 3.538 3.854 0.054 12 0 "[ . 1 . 2]" 1
320 1 31 GLU QG 1 32 TRP H . . 4.890 3.910 3.618 4.045 . 0 0 "[ . 1 . 2]" 1
321 1 32 TRP H 1 32 TRP QB . . 2.990 2.238 2.210 2.272 . 0 0 "[ . 1 . 2]" 1
322 1 32 TRP H 1 32 TRP HE3 . . 4.350 4.246 4.177 4.354 0.004 5 0 "[ . 1 . 2]" 1
323 1 32 TRP H 1 33 LEU HA . . 5.470 5.007 4.734 5.256 . 0 0 "[ . 1 . 2]" 1
324 1 32 TRP H 1 33 LEU HB3 . . 5.140 4.678 4.351 5.343 0.203 1 0 "[ . 1 . 2]" 1
325 1 32 TRP HA 1 32 TRP HD1 . . 3.600 3.234 3.132 3.342 . 0 0 "[ . 1 . 2]" 1
326 1 32 TRP HA 1 35 ALA H . . 4.060 3.774 3.462 4.077 0.017 20 0 "[ . 1 . 2]" 1
327 1 32 TRP HA 1 35 ALA MB . . 3.550 2.893 2.540 3.222 . 0 0 "[ . 1 . 2]" 1
328 1 32 TRP HA 1 36 LYS H . . 4.770 4.446 4.154 4.669 . 0 0 "[ . 1 . 2]" 1
329 1 32 TRP QB 1 32 TRP HE3 . . 3.570 2.468 2.425 2.502 . 0 0 "[ . 1 . 2]" 1
330 1 32 TRP QB 1 33 LEU H . . 3.540 2.536 2.389 2.665 . 0 0 "[ . 1 . 2]" 1
331 1 32 TRP QB 1 34 SER H . . 4.960 4.917 4.790 4.975 0.015 18 0 "[ . 1 . 2]" 1
332 1 32 TRP QB 1 84 LEU MD1 . . 4.640 4.099 3.617 4.488 . 0 0 "[ . 1 . 2]" 1
333 1 32 TRP QB 1 84 LEU MD2 . . 4.530 2.589 2.301 2.982 . 0 0 "[ . 1 . 2]" 1
334 1 32 TRP HD1 1 35 ALA MB . . 4.520 4.378 4.032 4.559 0.039 7 0 "[ . 1 . 2]" 1
335 1 32 TRP HE3 1 33 LEU H . . 3.990 2.715 2.553 2.804 . 0 0 "[ . 1 . 2]" 1
336 1 32 TRP HE3 1 33 LEU HA . . 3.590 2.551 2.309 2.809 . 0 0 "[ . 1 . 2]" 1
337 1 32 TRP HE3 1 33 LEU HB2 . . 4.750 2.697 2.511 3.925 . 0 0 "[ . 1 . 2]" 1
338 1 32 TRP HE3 1 33 LEU HB3 . . 4.390 4.095 3.885 4.406 0.016 1 0 "[ . 1 . 2]" 1
339 1 32 TRP HE3 1 33 LEU MD1 . . 5.000 4.438 2.471 4.857 . 0 0 "[ . 1 . 2]" 1
340 1 32 TRP HE3 1 33 LEU HG . . 5.100 4.594 4.104 5.145 0.045 7 0 "[ . 1 . 2]" 1
341 1 32 TRP HE3 1 84 LEU MD1 . . 4.420 3.546 3.072 4.106 . 0 0 "[ . 1 . 2]" 1
342 1 32 TRP HH2 1 36 LYS QB . . 4.560 3.885 3.575 4.203 . 0 0 "[ . 1 . 2]" 1
343 1 32 TRP HH2 1 36 LYS HG3 . . 5.020 3.381 2.976 3.859 . 0 0 "[ . 1 . 2]" 1
344 1 32 TRP HH2 1 80 LEU H . . 4.300 3.601 3.340 3.820 . 0 0 "[ . 1 . 2]" 1
345 1 32 TRP HH2 1 80 LEU HA . . 3.440 2.339 2.004 2.728 . 0 0 "[ . 1 . 2]" 1
346 1 32 TRP HH2 1 80 LEU HB2 . . 4.050 2.538 2.383 2.720 . 0 0 "[ . 1 . 2]" 1
347 1 32 TRP HH2 1 80 LEU HB3 . . 4.920 4.032 3.861 4.124 . 0 0 "[ . 1 . 2]" 1
348 1 32 TRP HH2 1 80 LEU MD1 . . 5.010 4.441 4.226 4.680 . 0 0 "[ . 1 . 2]" 1
349 1 32 TRP HH2 1 80 LEU MD2 . . 3.860 2.270 2.101 2.471 . 0 0 "[ . 1 . 2]" 1
350 1 32 TRP HH2 1 84 LEU MD1 . . 5.110 4.207 3.848 4.905 . 0 0 "[ . 1 . 2]" 1
351 1 32 TRP HZ2 1 36 LYS QB . . 3.930 4.084 3.968 4.148 0.218 15 0 "[ . 1 . 2]" 1
352 1 32 TRP HZ2 1 36 LYS QD . . 4.530 3.981 3.505 4.532 0.002 12 0 "[ . 1 . 2]" 1
353 1 32 TRP HZ2 1 36 LYS HE2 . . 3.690 3.004 2.388 3.712 0.022 12 0 "[ . 1 . 2]" 1
354 1 32 TRP HZ2 1 36 LYS HE3 . . 4.410 3.854 2.609 4.427 0.017 6 0 "[ . 1 . 2]" 1
355 1 32 TRP HZ2 1 36 LYS HG2 . . 4.940 3.959 3.441 4.342 . 0 0 "[ . 1 . 2]" 1
356 1 32 TRP HZ2 1 36 LYS HG3 . . 4.290 2.579 2.462 2.725 . 0 0 "[ . 1 . 2]" 1
357 1 32 TRP HZ2 1 79 ASP HB2 . . 4.260 3.542 3.208 3.946 . 0 0 "[ . 1 . 2]" 1
358 1 32 TRP HZ2 1 80 LEU H . . 4.460 3.622 3.252 3.865 . 0 0 "[ . 1 . 2]" 1
359 1 32 TRP HZ2 1 80 LEU HA . . 3.350 2.405 2.266 2.527 . 0 0 "[ . 1 . 2]" 1
360 1 32 TRP HZ2 1 80 LEU HB2 . . 4.790 3.998 3.765 4.215 . 0 0 "[ . 1 . 2]" 1
361 1 32 TRP HZ2 1 80 LEU HB3 . . 4.710 4.948 4.832 5.041 0.331 5 0 "[ . 1 . 2]" 1
362 1 32 TRP HZ2 1 83 GLU QB . . 4.270 2.940 2.544 3.393 . 0 0 "[ . 1 . 2]" 1
363 1 32 TRP HZ2 1 83 GLU HG2 . . 4.500 4.647 4.463 4.716 0.216 3 0 "[ . 1 . 2]" 1
364 1 32 TRP HZ2 1 84 LEU MD2 . . 4.760 4.725 4.497 4.795 0.035 13 0 "[ . 1 . 2]" 1
365 1 32 TRP HZ3 1 33 LEU H . . 5.410 4.754 4.593 4.911 . 0 0 "[ . 1 . 2]" 1
366 1 32 TRP HZ3 1 33 LEU HB3 . . 5.000 5.111 5.079 5.153 0.153 13 0 "[ . 1 . 2]" 1
367 1 32 TRP HZ3 1 84 LEU MD2 . . 5.270 4.392 4.019 4.960 . 0 0 "[ . 1 . 2]" 1
368 1 33 LEU H 1 33 LEU HB2 . . 3.480 2.248 2.135 2.427 . 0 0 "[ . 1 . 2]" 1
369 1 33 LEU H 1 33 LEU HB3 . . 3.400 2.608 2.375 3.403 0.003 1 0 "[ . 1 . 2]" 1
370 1 33 LEU H 1 33 LEU MD1 . . 4.550 4.184 3.640 4.280 . 0 0 "[ . 1 . 2]" 1
371 1 33 LEU H 1 33 LEU HG . . 5.180 4.437 3.973 4.535 . 0 0 "[ . 1 . 2]" 1
372 1 33 LEU H 1 34 SER H . . 3.570 2.783 2.655 2.967 . 0 0 "[ . 1 . 2]" 1
373 1 33 LEU H 1 84 LEU MD2 . . 5.500 4.769 4.484 5.118 . 0 0 "[ . 1 . 2]" 1
374 1 33 LEU HA 1 33 LEU MD1 . . 2.960 2.796 1.815 3.045 0.085 20 0 "[ . 1 . 2]" 1
375 1 33 LEU HA 1 33 LEU HG . . 3.800 3.663 3.213 3.788 . 0 0 "[ . 1 . 2]" 1
376 1 33 LEU HB2 1 34 SER H . . 3.640 3.644 2.632 3.747 0.107 6 0 "[ . 1 . 2]" 1
377 1 33 LEU HB3 1 34 SER H . . 3.750 2.512 2.362 2.909 . 0 0 "[ . 1 . 2]" 1
378 1 33 LEU MD1 1 35 ALA H . . 5.500 5.186 4.942 5.561 0.061 1 0 "[ . 1 . 2]" 1
379 1 33 LEU MD1 1 36 LYS QB . . 4.280 3.942 3.090 4.323 0.043 13 0 "[ . 1 . 2]" 1
380 1 33 LEU MD1 1 37 LEU H . . 4.210 3.667 3.390 4.293 0.083 1 0 "[ . 1 . 2]" 1
381 1 33 LEU MD1 1 37 LEU QD . . 3.610 1.957 1.635 2.494 . 0 0 "[ . 1 . 2]" 1
382 1 33 LEU MD1 1 37 LEU HG . . 3.350 2.276 1.869 3.593 0.243 12 0 "[ . 1 . 2]" 1
383 1 33 LEU MD1 1 65 LEU MD1 . . 3.880 3.628 2.914 3.934 0.054 20 0 "[ . 1 . 2]" 1
384 1 33 LEU MD1 1 76 PHE HZ . . 3.680 3.459 2.020 3.806 0.126 5 0 "[ . 1 . 2]" 1
385 1 33 LEU HG 1 34 SER H . . 4.950 4.681 3.330 5.000 0.050 17 0 "[ . 1 . 2]" 1
386 1 34 SER H 1 34 SER QB . . 2.960 2.575 2.456 2.640 . 0 0 "[ . 1 . 2]" 1
387 1 34 SER H 1 35 ALA H . . 3.330 2.836 2.683 2.946 . 0 0 "[ . 1 . 2]" 1
388 1 34 SER H 1 35 ALA MB . . 4.860 4.406 4.271 4.479 . 0 0 "[ . 1 . 2]" 1
389 1 34 SER H 1 46 LEU MD2 . . 5.450 4.684 4.019 5.145 . 0 0 "[ . 1 . 2]" 1
390 1 34 SER HA 1 46 LEU MD2 . . 3.990 2.594 2.017 3.081 . 0 0 "[ . 1 . 2]" 1
391 1 34 SER QB 1 35 ALA H . . 3.810 2.944 2.391 3.471 . 0 0 "[ . 1 . 2]" 1
392 1 35 ALA H 1 35 ALA HA . . 2.920 2.768 2.734 2.825 . 0 0 "[ . 1 . 2]" 1
393 1 35 ALA H 1 35 ALA MB . . 2.750 2.226 2.205 2.246 . 0 0 "[ . 1 . 2]" 1
394 1 35 ALA H 1 36 LYS H . . 3.230 2.828 2.569 2.959 . 0 0 "[ . 1 . 2]" 1
395 1 35 ALA H 1 37 LEU H . . 4.840 4.104 3.872 4.340 . 0 0 "[ . 1 . 2]" 1
396 1 35 ALA H 1 38 ARG HG2 . . 5.150 5.264 4.787 5.366 0.216 7 0 "[ . 1 . 2]" 1
397 1 35 ALA HA 1 38 ARG QD . . 4.070 2.766 1.934 3.956 . 0 0 "[ . 1 . 2]" 1
398 1 35 ALA MB 1 36 LYS H . . 3.180 2.483 2.254 2.597 . 0 0 "[ . 1 . 2]" 1
399 1 35 ALA MB 1 37 LEU H . . 4.760 4.464 4.330 4.712 . 0 0 "[ . 1 . 2]" 1
400 1 36 LYS H 1 36 LYS QB . . 3.080 2.407 2.301 2.494 . 0 0 "[ . 1 . 2]" 1
401 1 36 LYS H 1 36 LYS HE3 . . 5.500 5.366 5.144 5.544 0.044 12 0 "[ . 1 . 2]" 1
402 1 36 LYS H 1 36 LYS HG2 . . 3.630 2.514 2.265 2.726 . 0 0 "[ . 1 . 2]" 1
403 1 36 LYS H 1 36 LYS HG3 . . 3.970 3.819 3.639 3.978 0.008 9 0 "[ . 1 . 2]" 1
404 1 36 LYS H 1 37 LEU H . . 3.390 2.575 2.490 2.726 . 0 0 "[ . 1 . 2]" 1
405 1 36 LYS H 1 37 LEU HB2 . . 5.090 4.733 4.270 4.960 . 0 0 "[ . 1 . 2]" 1
406 1 36 LYS H 1 38 ARG H . . 4.400 4.017 3.848 4.413 0.013 18 0 "[ . 1 . 2]" 1
407 1 36 LYS HA 1 36 LYS QD . . 2.870 1.864 1.778 1.998 . 0 0 "[ . 1 . 2]" 1
408 1 36 LYS HA 1 36 LYS HE3 . . 4.000 3.651 3.101 4.285 0.285 10 0 "[ . 1 . 2]" 1
409 1 36 LYS HA 1 36 LYS HG2 . . 4.170 2.894 2.673 3.006 . 0 0 "[ . 1 . 2]" 1
410 1 36 LYS HA 1 36 LYS HG3 . . 4.060 3.651 3.519 3.768 . 0 0 "[ . 1 . 2]" 1
411 1 36 LYS HA 1 38 ARG H . . 4.860 3.955 3.666 4.433 . 0 0 "[ . 1 . 2]" 1
412 1 36 LYS HA 1 39 SER H . . 3.600 3.281 2.893 3.659 0.059 12 0 "[ . 1 . 2]" 1
413 1 36 LYS HA 1 39 SER HB3 . . 3.750 3.611 3.042 3.879 0.129 19 0 "[ . 1 . 2]" 1
414 1 36 LYS QB 1 36 LYS HE2 . . 4.400 3.352 2.801 4.111 . 0 0 "[ . 1 . 2]" 1
415 1 36 LYS QB 1 36 LYS HE3 . . 4.190 2.669 2.043 3.645 . 0 0 "[ . 1 . 2]" 1
416 1 36 LYS QB 1 37 LEU H . . 3.210 2.888 2.549 2.992 . 0 0 "[ . 1 . 2]" 1
417 1 36 LYS QB 1 40 PHE QD . . 4.190 2.910 2.366 3.205 . 0 0 "[ . 1 . 2]" 1
418 1 36 LYS QB 1 76 PHE QD . . 4.640 2.883 2.584 3.192 . 0 0 "[ . 1 . 2]" 1
419 1 36 LYS QD 1 40 PHE H . . 5.500 5.442 4.742 5.604 0.104 14 0 "[ . 1 . 2]" 1
420 1 36 LYS QD 1 40 PHE QD . . 4.420 4.383 3.687 4.545 0.125 16 0 "[ . 1 . 2]" 1
421 1 36 LYS QD 1 79 ASP HB2 . . 4.690 4.484 3.983 4.774 0.084 14 0 "[ . 1 . 2]" 1
422 1 36 LYS QD 1 79 ASP HB3 . . 4.670 3.993 3.574 4.348 . 0 0 "[ . 1 . 2]" 1
423 1 36 LYS HE2 1 36 LYS HG2 . . 4.030 3.243 2.412 3.675 . 0 0 "[ . 1 . 2]" 1
424 1 36 LYS HE2 1 36 LYS HG3 . . 3.970 2.497 2.259 2.917 . 0 0 "[ . 1 . 2]" 1
425 1 36 LYS HE3 1 36 LYS HG2 . . 3.970 3.573 2.858 3.894 . 0 0 "[ . 1 . 2]" 1
426 1 36 LYS HE3 1 36 LYS HG3 . . 4.110 2.754 2.161 3.119 . 0 0 "[ . 1 . 2]" 1
427 1 37 LEU H 1 37 LEU HB2 . . 2.980 2.511 2.111 2.603 . 0 0 "[ . 1 . 2]" 1
428 1 37 LEU H 1 37 LEU HB3 . . 3.690 3.596 3.402 3.649 . 0 0 "[ . 1 . 2]" 1
429 1 37 LEU H 1 37 LEU QD . . 3.950 2.940 2.148 3.068 . 0 0 "[ . 1 . 2]" 1
430 1 37 LEU H 1 37 LEU HG . . 3.780 2.490 2.250 3.923 0.143 13 0 "[ . 1 . 2]" 1
431 1 37 LEU H 1 38 ARG H . . 3.350 2.686 2.568 2.900 . 0 0 "[ . 1 . 2]" 1
432 1 37 LEU H 1 39 SER H . . 4.700 4.211 4.076 4.406 . 0 0 "[ . 1 . 2]" 1
433 1 37 LEU H 1 40 PHE QB . . 5.000 5.034 4.941 5.081 0.081 1 0 "[ . 1 . 2]" 1
434 1 37 LEU H 1 46 LEU MD2 . . 4.360 4.264 3.924 4.529 0.169 1 0 "[ . 1 . 2]" 1
435 1 37 LEU HA 1 37 LEU HB3 . . 2.960 2.481 2.408 2.644 . 0 0 "[ . 1 . 2]" 1
436 1 37 LEU HA 1 37 LEU QD . . 2.840 2.105 2.015 2.367 . 0 0 "[ . 1 . 2]" 1
437 1 37 LEU HA 1 37 LEU HG . . 3.490 3.138 2.408 3.282 . 0 0 "[ . 1 . 2]" 1
438 1 37 LEU HA 1 40 PHE H . . 4.580 3.251 2.945 3.528 . 0 0 "[ . 1 . 2]" 1
439 1 37 LEU HB2 1 38 ARG H . . 3.690 2.728 2.389 3.150 . 0 0 "[ . 1 . 2]" 1
440 1 37 LEU HB2 1 46 LEU MD2 . . 4.140 2.596 2.109 3.067 . 0 0 "[ . 1 . 2]" 1
441 1 37 LEU HB3 1 38 ARG H . . 3.950 3.668 3.361 3.832 . 0 0 "[ . 1 . 2]" 1
442 1 37 LEU HB3 1 40 PHE H . . 5.070 5.038 4.758 5.140 0.070 14 0 "[ . 1 . 2]" 1
443 1 37 LEU HB3 1 46 LEU MD2 . . 4.010 3.299 2.548 3.898 . 0 0 "[ . 1 . 2]" 1
444 1 37 LEU QD 1 38 ARG H . . 5.280 4.101 3.964 4.222 . 0 0 "[ . 1 . 2]" 1
445 1 37 LEU QD 1 40 PHE QD . . 4.530 3.698 3.111 4.087 . 0 0 "[ . 1 . 2]" 1
446 1 37 LEU QD 1 61 GLN QB . . 4.100 1.904 1.797 2.218 . 0 0 "[ . 1 . 2]" 1
447 1 37 LEU QD 1 64 ARG QB . . 5.370 3.211 2.738 4.026 . 0 0 "[ . 1 . 2]" 1
448 1 37 LEU QD 1 65 LEU MD1 . . 3.370 2.603 1.892 3.056 . 0 0 "[ . 1 . 2]" 1
449 1 37 LEU QD 1 65 LEU MD2 . . 3.290 2.164 1.886 2.702 . 0 0 "[ . 1 . 2]" 1
450 1 38 ARG H 1 38 ARG QB . . 2.710 2.621 2.515 2.744 0.034 18 0 "[ . 1 . 2]" 1
451 1 38 ARG H 1 38 ARG QD . . 5.050 3.869 3.469 4.141 . 0 0 "[ . 1 . 2]" 1
452 1 38 ARG H 1 38 ARG HG2 . . 3.480 2.861 2.245 3.218 . 0 0 "[ . 1 . 2]" 1
453 1 38 ARG H 1 38 ARG HG3 . . 3.930 2.178 1.829 3.490 . 0 0 "[ . 1 . 2]" 1
454 1 38 ARG H 1 40 PHE H . . 4.370 4.114 4.004 4.321 . 0 0 "[ . 1 . 2]" 1
455 1 38 ARG H 1 46 LEU MD2 . . 4.790 3.405 2.744 4.579 . 0 0 "[ . 1 . 2]" 1
456 1 38 ARG HA 1 38 ARG QB . . 2.650 2.259 2.064 2.328 . 0 0 "[ . 1 . 2]" 1
457 1 38 ARG HA 1 38 ARG QD . . 3.820 3.934 3.840 4.084 0.264 16 0 "[ . 1 . 2]" 1
458 1 38 ARG HA 1 38 ARG HG3 . . 3.330 3.343 3.135 3.515 0.185 12 0 "[ . 1 . 2]" 1
459 1 38 ARG HA 1 41 LEU H . . 4.130 4.009 3.271 4.190 0.060 14 0 "[ . 1 . 2]" 1
460 1 38 ARG QB 1 38 ARG QD . . 2.880 2.147 1.938 2.469 . 0 0 "[ . 1 . 2]" 1
461 1 38 ARG QB 1 39 SER H . . 3.260 2.870 2.478 3.445 0.185 6 0 "[ . 1 . 2]" 1
462 1 38 ARG QB 1 39 SER HA . . 4.070 3.921 3.685 4.180 0.110 6 0 "[ . 1 . 2]" 1
463 1 38 ARG HG3 1 44 MET HG2 . . 4.770 4.836 4.622 4.952 0.182 5 0 "[ . 1 . 2]" 1
464 1 39 SER H 1 39 SER HB3 . . 3.030 2.809 2.370 3.301 0.271 6 0 "[ . 1 . 2]" 1
465 1 39 SER H 1 40 PHE H . . 3.100 2.430 2.249 2.679 . 0 0 "[ . 1 . 2]" 1
466 1 39 SER H 1 41 LEU H . . 4.300 4.190 3.935 4.314 0.014 12 0 "[ . 1 . 2]" 1
467 1 39 SER HA 1 39 SER HB2 . . 2.750 2.668 2.450 2.915 0.165 16 0 "[ . 1 . 2]" 1
468 1 39 SER HA 1 39 SER HB3 . . 2.940 2.790 2.447 3.013 0.073 12 0 "[ . 1 . 2]" 1
469 1 39 SER HB3 1 40 PHE H . . 3.660 3.082 2.353 3.706 0.046 6 0 "[ . 1 . 2]" 1
470 1 40 PHE H 1 40 PHE QB . . 3.570 2.309 2.245 2.397 . 0 0 "[ . 1 . 2]" 1
471 1 40 PHE H 1 41 LEU H . . 2.990 2.518 2.296 2.750 . 0 0 "[ . 1 . 2]" 1
472 1 40 PHE H 1 41 LEU MD1 . . 4.980 3.975 3.466 4.821 . 0 0 "[ . 1 . 2]" 1
473 1 40 PHE H 1 65 LEU MD2 . . 4.970 4.104 3.872 4.323 . 0 0 "[ . 1 . 2]" 1
474 1 40 PHE HA 1 40 PHE QD . . 4.100 2.273 2.130 2.537 . 0 0 "[ . 1 . 2]" 1
475 1 40 PHE HA 1 72 THR MG . . 3.410 3.607 3.522 3.693 0.283 4 0 "[ . 1 . 2]" 1
476 1 40 PHE QB 1 41 LEU H . . 4.110 2.513 2.246 2.650 . 0 0 "[ . 1 . 2]" 1
477 1 40 PHE QB 1 41 LEU MD1 . . 4.470 2.419 2.239 2.810 . 0 0 "[ . 1 . 2]" 1
478 1 40 PHE QB 1 41 LEU HG . . 4.480 4.514 4.461 4.599 0.119 6 0 "[ . 1 . 2]" 1
479 1 40 PHE QB 1 65 LEU MD1 . . 4.550 4.007 3.736 4.179 . 0 0 "[ . 1 . 2]" 1
480 1 40 PHE QB 1 65 LEU MD2 . . 3.480 2.080 1.997 2.199 . 0 0 "[ . 1 . 2]" 1
481 1 40 PHE QB 1 68 GLN HG2 . . 2.690 2.797 2.690 2.898 0.208 1 0 "[ . 1 . 2]" 1
482 1 40 PHE QB 1 72 THR MG . . 3.610 2.625 2.367 2.931 . 0 0 "[ . 1 . 2]" 1
483 1 40 PHE QD 1 68 GLN HG2 . . 4.470 4.556 4.454 4.596 0.126 4 0 "[ . 1 . 2]" 1
484 1 40 PHE QD 1 72 THR MG . . 3.670 1.958 1.828 2.108 . 0 0 "[ . 1 . 2]" 1
485 1 41 LEU H 1 41 LEU HB2 . . 3.250 2.252 2.093 2.457 . 0 0 "[ . 1 . 2]" 1
486 1 41 LEU H 1 41 LEU HB3 . . 3.650 3.481 3.399 3.555 . 0 0 "[ . 1 . 2]" 1
487 1 41 LEU H 1 41 LEU MD1 . . 3.950 2.429 2.088 3.127 . 0 0 "[ . 1 . 2]" 1
488 1 41 LEU H 1 41 LEU HG . . 3.750 3.874 3.816 3.948 0.198 14 0 "[ . 1 . 2]" 1
489 1 41 LEU H 1 65 LEU MD2 . . 5.500 3.890 3.644 4.262 . 0 0 "[ . 1 . 2]" 1
490 1 41 LEU HA 1 41 LEU MD1 . . 2.770 2.413 2.015 2.638 . 0 0 "[ . 1 . 2]" 1
491 1 41 LEU HA 1 41 LEU HG . . 3.890 2.868 2.328 3.658 . 0 0 "[ . 1 . 2]" 1
492 1 41 LEU HA 1 42 PRO QD . . 2.900 1.923 1.868 1.978 . 0 0 "[ . 1 . 2]" 1
493 1 41 LEU HA 1 42 PRO QG . . 3.850 3.836 3.790 3.877 0.027 16 0 "[ . 1 . 2]" 1
494 1 41 LEU HA 1 43 THR H . . 4.950 3.566 2.948 4.106 . 0 0 "[ . 1 . 2]" 1
495 1 41 LEU HA 1 64 ARG HD2 . . 4.850 4.884 4.734 4.977 0.127 16 0 "[ . 1 . 2]" 1
496 1 41 LEU HA 1 68 GLN HE22 . . 5.370 3.244 2.540 4.394 . 0 0 "[ . 1 . 2]" 1
497 1 41 LEU HA 1 68 GLN HG3 . . 4.640 3.665 3.056 4.028 . 0 0 "[ . 1 . 2]" 1
498 1 41 LEU HB2 1 41 LEU MD1 . . 3.320 2.588 2.225 3.173 . 0 0 "[ . 1 . 2]" 1
499 1 41 LEU HB2 1 41 LEU HG . . 3.010 2.836 2.475 3.009 . 0 0 "[ . 1 . 2]" 1
500 1 41 LEU HB2 1 43 THR H . . 4.700 4.242 3.694 4.713 0.013 9 0 "[ . 1 . 2]" 1
501 1 41 LEU HB3 1 41 LEU MD1 . . 3.000 2.977 2.566 3.156 0.156 2 0 "[ . 1 . 2]" 1
502 1 41 LEU HB3 1 42 PRO QD . . 3.620 3.240 2.952 3.495 . 0 0 "[ . 1 . 2]" 1
503 1 41 LEU HB3 1 43 THR H . . 4.380 2.913 2.173 3.607 . 0 0 "[ . 1 . 2]" 1
504 1 41 LEU MD1 1 42 PRO QD . . 3.770 3.666 3.088 3.898 0.128 15 0 "[ . 1 . 2]" 1
505 1 41 LEU MD1 1 64 ARG QB . . 3.870 2.060 1.790 2.821 . 0 0 "[ . 1 . 2]" 1
506 1 41 LEU MD1 1 64 ARG HD2 . . 3.950 3.566 2.660 4.002 0.052 7 0 "[ . 1 . 2]" 1
507 1 41 LEU MD1 1 65 LEU H . . 4.280 3.531 3.249 3.893 . 0 0 "[ . 1 . 2]" 1
508 1 41 LEU MD1 1 65 LEU HA . . 3.340 2.996 2.497 3.393 0.053 2 0 "[ . 1 . 2]" 1
509 1 41 LEU MD1 1 65 LEU MD1 . . 4.390 4.139 3.721 4.512 0.122 16 0 "[ . 1 . 2]" 1
510 1 41 LEU MD1 1 65 LEU MD2 . . 3.090 2.164 1.984 2.380 . 0 0 "[ . 1 . 2]" 1
511 1 41 LEU MD1 1 68 GLN H . . 5.310 4.531 3.589 5.057 . 0 0 "[ . 1 . 2]" 1
512 1 41 LEU MD1 1 68 GLN HB2 . . 4.680 4.347 3.600 4.706 0.026 9 0 "[ . 1 . 2]" 1
513 1 41 LEU MD1 1 68 GLN HE21 . . 4.560 2.647 1.618 4.691 0.131 18 0 "[ . 1 . 2]" 1
514 1 41 LEU MD1 1 68 GLN HE22 . . 4.440 3.597 2.852 4.425 . 0 0 "[ . 1 . 2]" 1
515 1 41 LEU MD1 1 68 GLN HG2 . . 3.460 2.483 1.861 2.839 . 0 0 "[ . 1 . 2]" 1
516 1 41 LEU MD1 1 68 GLN HG3 . . 3.410 3.100 2.713 3.470 0.060 18 0 "[ . 1 . 2]" 1
517 1 41 LEU HG 1 65 LEU MD2 . . 4.360 4.132 3.856 4.372 0.012 11 0 "[ . 1 . 2]" 1
518 1 42 PRO QD 1 43 THR H . . 4.060 2.467 1.932 2.951 . 0 0 "[ . 1 . 2]" 1
519 1 42 PRO QD 1 43 THR MG . . 5.330 3.648 2.360 5.216 . 0 0 "[ . 1 . 2]" 1
520 1 42 PRO QD 1 68 GLN HE21 . . 4.080 3.695 3.107 4.158 0.078 16 0 "[ . 1 . 2]" 1
521 1 42 PRO QD 1 68 GLN HE22 . . 4.640 2.786 2.205 3.596 . 0 0 "[ . 1 . 2]" 1
522 1 42 PRO QD 1 68 GLN HG2 . . 4.930 4.467 3.710 4.739 . 0 0 "[ . 1 . 2]" 1
523 1 42 PRO QG 1 43 THR H . . 3.620 2.857 2.239 3.621 0.001 19 0 "[ . 1 . 2]" 1
524 1 42 PRO QG 1 43 THR MG . . 4.230 2.965 2.231 4.285 0.055 15 0 "[ . 1 . 2]" 1
525 1 43 THR H 1 43 THR HB . . 3.870 3.371 2.484 3.670 . 0 0 "[ . 1 . 2]" 1
526 1 43 THR H 1 43 THR MG . . 3.590 2.665 1.918 3.655 0.065 15 0 "[ . 1 . 2]" 1
527 1 43 THR H 1 44 MET H . . 3.740 2.440 1.965 2.756 . 0 0 "[ . 1 . 2]" 1
528 1 43 THR HA 1 43 THR MG . . 3.140 2.341 2.032 3.209 0.069 10 0 "[ . 1 . 2]" 1
529 1 43 THR HA 1 44 MET H . . 3.240 3.011 2.793 3.348 0.108 5 0 "[ . 1 . 2]" 1
530 1 43 THR MG 1 44 MET H . . 3.940 3.999 2.975 4.159 0.219 20 0 "[ . 1 . 2]" 1
531 1 44 MET H 1 44 MET HB3 . . 3.280 2.909 2.229 3.559 0.279 2 0 "[ . 1 . 2]" 1
532 1 44 MET H 1 44 MET HG2 . . 3.910 3.589 2.780 4.160 0.250 19 0 "[ . 1 . 2]" 1
533 1 44 MET H 1 45 ASP H . . 4.230 4.047 3.500 4.373 0.143 10 0 "[ . 1 . 2]" 1
534 1 44 MET HA 1 44 MET HB3 . . 2.940 2.479 2.050 3.014 0.074 19 0 "[ . 1 . 2]" 1
535 1 44 MET HA 1 44 MET HG2 . . 3.460 3.378 2.558 3.873 0.413 18 0 "[ . 1 . 2]" 1
536 1 44 MET HA 1 45 ASP H . . 2.860 2.103 1.909 2.362 . 0 0 "[ . 1 . 2]" 1
537 1 44 MET HA 1 46 LEU H . . 4.280 4.150 3.492 4.363 0.083 13 0 "[ . 1 . 2]" 1
538 1 44 MET HA 1 46 LEU MD2 . . 4.830 4.169 2.887 4.863 0.033 14 0 "[ . 1 . 2]" 1
539 1 44 MET HB2 1 46 LEU QB . . 4.410 4.132 3.026 4.600 0.190 19 0 "[ . 1 . 2]" 1
540 1 44 MET HB2 1 46 LEU MD2 . . 4.380 3.117 2.019 4.384 0.004 20 0 "[ . 1 . 2]" 1
541 1 44 MET HG2 1 46 LEU MD2 . . 4.240 3.012 1.935 4.180 . 0 0 "[ . 1 . 2]" 1
542 1 45 ASP H 1 45 ASP QB . . 3.270 2.602 2.303 3.084 . 0 0 "[ . 1 . 2]" 1
543 1 45 ASP H 1 46 LEU H . . 3.760 3.425 2.907 3.700 . 0 0 "[ . 1 . 2]" 1
544 1 45 ASP HA 1 46 LEU H . . 2.980 2.265 2.073 2.467 . 0 0 "[ . 1 . 2]" 1
545 1 45 ASP HA 1 46 LEU HG . . 4.710 4.143 3.766 4.652 . 0 0 "[ . 1 . 2]" 1
546 1 45 ASP HA 1 47 ASP H . . 3.200 3.146 2.868 3.272 0.072 5 0 "[ . 1 . 2]" 1
547 1 45 ASP QB 1 46 LEU H . . 4.010 3.881 3.722 4.005 . 0 0 "[ . 1 . 2]" 1
548 1 46 LEU H 1 46 LEU MD2 . . 4.500 3.277 1.692 3.676 . 0 0 "[ . 1 . 2]" 1
549 1 46 LEU H 1 46 LEU HG . . 2.780 2.090 1.819 2.724 . 0 0 "[ . 1 . 2]" 1
550 1 46 LEU H 1 47 ASP H . . 3.470 2.215 1.960 2.494 . 0 0 "[ . 1 . 2]" 1
551 1 46 LEU H 1 47 ASP QB . . 4.030 3.926 3.602 4.076 0.046 18 0 "[ . 1 . 2]" 1
552 1 46 LEU HA 1 47 ASP H . . 3.330 3.305 3.128 3.389 0.059 12 0 "[ . 1 . 2]" 1
553 1 46 LEU QB 1 46 LEU HG . . 2.520 2.425 2.203 2.527 0.007 20 0 "[ . 1 . 2]" 1
554 1 46 LEU QB 1 48 CYS H . . 4.680 4.614 4.110 4.798 0.118 8 0 "[ . 1 . 2]" 1
555 1 46 LEU MD1 1 47 ASP H . . 5.210 2.976 2.472 4.298 . 0 0 "[ . 1 . 2]" 1
556 1 46 LEU MD1 1 47 ASP QB . . 4.270 2.992 2.034 4.395 0.125 17 0 "[ . 1 . 2]" 1
557 1 46 LEU MD2 1 47 ASP H . . 4.800 4.460 3.152 4.827 0.027 6 0 "[ . 1 . 2]" 1
558 1 46 LEU HG 1 47 ASP H . . 3.550 3.131 2.672 3.494 . 0 0 "[ . 1 . 2]" 1
559 1 46 LEU HG 1 47 ASP QB . . 4.330 4.018 3.294 4.512 0.182 12 0 "[ . 1 . 2]" 1
560 1 47 ASP H 1 47 ASP HA . . 2.860 2.868 2.814 2.918 0.058 7 0 "[ . 1 . 2]" 1
561 1 47 ASP H 1 47 ASP QB . . 2.940 2.305 2.134 2.594 . 0 0 "[ . 1 . 2]" 1
562 1 47 ASP H 1 48 CYS H . . 4.550 2.524 2.205 3.381 . 0 0 "[ . 1 . 2]" 1
563 1 47 ASP HA 1 47 ASP QB . . 2.500 2.334 2.172 2.408 . 0 0 "[ . 1 . 2]" 1
564 1 47 ASP HA 1 48 CYS H . . 3.160 3.130 2.596 3.266 0.106 17 0 "[ . 1 . 2]" 1
565 1 47 ASP QB 1 48 CYS H . . 3.980 3.362 2.956 3.995 0.015 2 0 "[ . 1 . 2]" 1
566 1 47 ASP QB 1 48 CYS HA . . 4.680 4.423 4.134 4.687 0.007 20 0 "[ . 1 . 2]" 1
567 1 48 CYS H 1 48 CYS QB . . 3.270 2.483 2.172 3.020 . 0 0 "[ . 1 . 2]" 1
568 1 48 CYS HA 1 48 CYS QB . . 2.680 2.337 2.169 2.389 . 0 0 "[ . 1 . 2]" 1
569 1 48 CYS HA 1 49 SER H . . 3.410 2.501 2.122 3.424 0.014 12 0 "[ . 1 . 2]" 1
570 1 48 CYS QB 1 49 SER H . . 4.010 3.731 3.107 3.958 . 0 0 "[ . 1 . 2]" 1
571 1 48 CYS QB 1 49 SER HA . . 4.520 4.357 3.991 4.595 0.075 20 0 "[ . 1 . 2]" 1
572 1 49 SER H 1 49 SER QB . . 3.630 2.559 2.316 3.210 . 0 0 "[ . 1 . 2]" 1
573 1 49 SER H 1 50 TYR H . . 4.340 3.717 3.192 4.074 . 0 0 "[ . 1 . 2]" 1
574 1 49 SER HA 1 50 TYR H . . 3.090 2.225 2.016 2.464 . 0 0 "[ . 1 . 2]" 1
575 1 49 SER HA 1 50 TYR HD1 . . 4.580 4.567 4.275 4.663 0.083 7 0 "[ . 1 . 2]" 1
576 1 49 SER HA 1 51 GLU H . . 4.620 3.283 2.841 3.909 . 0 0 "[ . 1 . 2]" 1
577 1 49 SER QB 1 50 TYR H . . 4.060 3.808 3.333 4.010 . 0 0 "[ . 1 . 2]" 1
578 1 49 SER QB 1 51 GLU H . . 4.730 3.998 2.861 4.742 0.012 4 0 "[ . 1 . 2]" 1
579 1 50 TYR H 1 50 TYR HB2 . . 3.530 3.467 3.294 3.584 0.054 12 0 "[ . 1 . 2]" 1
580 1 50 TYR H 1 50 TYR HB3 . . 3.150 3.113 3.014 3.250 0.100 2 0 "[ . 1 . 2]" 1
581 1 50 TYR H 1 50 TYR HD1 . . 3.870 3.082 2.572 3.310 . 0 0 "[ . 1 . 2]" 1
582 1 50 TYR H 1 51 GLU H . . 3.700 2.443 2.154 2.798 . 0 0 "[ . 1 . 2]" 1
583 1 50 TYR HA 1 50 TYR HB2 . . 2.840 2.688 2.568 2.808 . 0 0 "[ . 1 . 2]" 1
584 1 50 TYR HA 1 50 TYR HB3 . . 2.910 2.284 2.219 2.335 . 0 0 "[ . 1 . 2]" 1
585 1 50 TYR HA 1 51 GLU H . . 3.110 3.298 3.181 3.363 0.253 10 0 "[ . 1 . 2]" 1
586 1 50 TYR HB2 1 50 TYR HD1 . . 3.280 2.652 2.530 3.142 . 0 0 "[ . 1 . 2]" 1
587 1 50 TYR HB2 1 51 GLU H . . 4.140 3.329 2.510 3.982 . 0 0 "[ . 1 . 2]" 1
588 1 50 TYR HB2 1 51 GLU HB3 . . 5.460 5.388 4.181 5.549 0.089 14 0 "[ . 1 . 2]" 1
589 1 50 TYR HD1 1 51 GLU H . . 5.070 2.204 1.784 2.558 . 0 0 "[ . 1 . 2]" 1
590 1 50 TYR HD1 1 51 GLU HB2 . . 4.390 2.588 2.075 4.350 . 0 0 "[ . 1 . 2]" 1
591 1 50 TYR HD1 1 51 GLU HB3 . . 4.180 3.863 3.035 4.261 0.081 2 0 "[ . 1 . 2]" 1
592 1 50 TYR HD1 1 57 VAL MG1 . . 4.350 4.180 3.590 4.407 0.057 12 0 "[ . 1 . 2]" 1
593 1 50 TYR HD1 1 57 VAL MG2 . . 4.470 3.006 2.418 4.686 0.216 12 0 "[ . 1 . 2]" 1
594 1 51 GLU H 1 51 GLU HB2 . . 3.660 2.455 2.215 3.675 0.015 17 0 "[ . 1 . 2]" 1
595 1 51 GLU H 1 51 GLU HB3 . . 3.220 3.456 3.310 3.508 0.288 20 0 "[ . 1 . 2]" 1
596 1 51 GLU H 1 51 GLU QG . . 3.500 2.889 1.841 3.255 . 0 0 "[ . 1 . 2]" 1
597 1 51 GLU H 1 57 VAL MG1 . . 4.900 3.801 3.202 4.271 . 0 0 "[ . 1 . 2]" 1
598 1 51 GLU H 1 57 VAL MG2 . . 4.540 3.230 2.581 4.074 . 0 0 "[ . 1 . 2]" 1
599 1 51 GLU HA 1 51 GLU QG . . 3.300 2.620 2.340 3.310 0.010 12 0 "[ . 1 . 2]" 1
600 1 51 GLU HA 1 52 PRO QG . . 4.810 4.031 3.804 4.314 . 0 0 "[ . 1 . 2]" 1
601 1 51 GLU HB2 1 51 GLU QG . . 2.540 2.315 2.160 2.491 . 0 0 "[ . 1 . 2]" 1
602 1 51 GLU HB2 1 54 ASN H . . 4.320 4.366 4.250 4.465 0.145 12 0 "[ . 1 . 2]" 1
603 1 51 GLU HB2 1 54 ASN HB2 . . 4.240 3.428 2.953 4.101 . 0 0 "[ . 1 . 2]" 1
604 1 51 GLU HB2 1 57 VAL MG2 . . 3.440 2.007 1.803 2.919 . 0 0 "[ . 1 . 2]" 1
605 1 51 GLU HB3 1 51 GLU QG . . 2.700 2.349 2.237 2.459 . 0 0 "[ . 1 . 2]" 1
606 1 51 GLU HB3 1 57 VAL MG2 . . 3.730 2.799 2.414 3.930 0.200 17 0 "[ . 1 . 2]" 1
607 1 51 GLU QG 1 57 VAL MG2 . . 4.530 3.220 1.723 3.713 . 0 0 "[ . 1 . 2]" 1
608 1 52 PRO HA 1 53 SER H . . 2.900 2.881 2.602 2.950 0.050 1 0 "[ . 1 . 2]" 1
609 1 52 PRO HA 1 57 VAL MG2 . . 4.750 4.708 4.431 4.853 0.103 2 0 "[ . 1 . 2]" 1
610 1 52 PRO QG 1 53 SER H . . 3.630 3.554 3.218 3.718 0.088 14 0 "[ . 1 . 2]" 1
611 1 53 SER H 1 53 SER QB . . 3.410 2.451 2.318 2.703 . 0 0 "[ . 1 . 2]" 1
612 1 53 SER H 1 54 ASN H . . 3.320 3.258 3.134 3.322 0.002 19 0 "[ . 1 . 2]" 1
613 1 53 SER H 1 54 ASN HB2 . . 5.340 5.186 4.929 5.366 0.026 2 0 "[ . 1 . 2]" 1
614 1 53 SER H 1 57 VAL MG2 . . 5.390 5.131 4.977 5.280 . 0 0 "[ . 1 . 2]" 1
615 1 53 SER HA 1 54 ASN H . . 3.370 2.812 2.721 2.911 . 0 0 "[ . 1 . 2]" 1
616 1 53 SER HA 1 57 VAL HB . . 4.340 3.686 3.326 4.022 . 0 0 "[ . 1 . 2]" 1
617 1 53 SER HA 1 57 VAL MG2 . . 4.380 4.311 4.140 4.474 0.094 4 0 "[ . 1 . 2]" 1
618 1 53 SER HA 1 58 ILE MD . . 3.630 3.013 2.451 3.582 . 0 0 "[ . 1 . 2]" 1
619 1 53 SER QB 1 54 ASN H . . 4.480 3.864 3.802 4.016 . 0 0 "[ . 1 . 2]" 1
620 1 54 ASN H 1 54 ASN HB2 . . 3.200 2.079 2.014 2.165 . 0 0 "[ . 1 . 2]" 1
621 1 54 ASN H 1 54 ASN HB3 . . 3.330 3.407 3.373 3.438 0.108 2 0 "[ . 1 . 2]" 1
622 1 54 ASN H 1 55 PRO HD2 . . 4.780 4.701 4.615 4.813 0.033 11 0 "[ . 1 . 2]" 1
623 1 54 ASN H 1 57 VAL HB . . 3.540 2.877 2.613 3.122 . 0 0 "[ . 1 . 2]" 1
624 1 54 ASN H 1 57 VAL MG1 . . 4.700 3.562 3.377 3.832 . 0 0 "[ . 1 . 2]" 1
625 1 54 ASN H 1 57 VAL MG2 . . 4.450 2.780 2.563 2.920 . 0 0 "[ . 1 . 2]" 1
626 1 54 ASN H 1 58 ILE MD . . 4.750 4.693 4.499 4.776 0.026 16 0 "[ . 1 . 2]" 1
627 1 54 ASN H 1 58 ILE HG12 . . 5.320 4.304 4.028 4.539 . 0 0 "[ . 1 . 2]" 1
628 1 54 ASN HA 1 55 PRO HA . . 4.510 4.408 4.361 4.480 . 0 0 "[ . 1 . 2]" 1
629 1 54 ASN HA 1 55 PRO HD2 . . 3.070 2.255 2.162 2.428 . 0 0 "[ . 1 . 2]" 1
630 1 54 ASN HA 1 55 PRO HD3 . . 2.910 2.414 2.034 2.643 . 0 0 "[ . 1 . 2]" 1
631 1 54 ASN HA 1 55 PRO QG . . 4.190 3.954 3.859 4.012 . 0 0 "[ . 1 . 2]" 1
632 1 54 ASN HA 1 56 GLU H . . 4.530 4.374 3.964 4.573 0.043 1 0 "[ . 1 . 2]" 1
633 1 54 ASN HB2 1 55 PRO HD2 . . 3.890 3.876 3.794 3.974 0.084 11 0 "[ . 1 . 2]" 1
634 1 54 ASN HB2 1 56 GLU H . . 4.700 4.114 3.706 4.461 . 0 0 "[ . 1 . 2]" 1
635 1 54 ASN HB2 1 57 VAL H . . 4.250 3.130 2.715 3.515 . 0 0 "[ . 1 . 2]" 1
636 1 54 ASN HB2 1 57 VAL HB . . 3.860 2.850 2.462 3.246 . 0 0 "[ . 1 . 2]" 1
637 1 54 ASN HB2 1 57 VAL MG1 . . 4.110 3.872 3.717 4.125 0.015 13 0 "[ . 1 . 2]" 1
638 1 54 ASN HB2 1 57 VAL MG2 . . 3.250 1.919 1.799 2.126 . 0 0 "[ . 1 . 2]" 1
639 1 54 ASN HB2 1 58 ILE H . . 5.100 4.531 4.184 4.862 . 0 0 "[ . 1 . 2]" 1
640 1 54 ASN HB3 1 55 PRO HD2 . . 3.520 2.468 2.379 2.619 . 0 0 "[ . 1 . 2]" 1
641 1 54 ASN HB3 1 55 PRO HD3 . . 3.910 3.886 3.672 3.949 0.039 13 0 "[ . 1 . 2]" 1
642 1 54 ASN HB3 1 56 GLU QB . . 3.810 3.561 2.873 3.845 0.035 14 0 "[ . 1 . 2]" 1
643 1 54 ASN HB3 1 57 VAL H . . 4.660 2.958 2.600 3.153 . 0 0 "[ . 1 . 2]" 1
644 1 54 ASN HB3 1 57 VAL HB . . 3.840 3.855 3.800 3.897 0.057 12 0 "[ . 1 . 2]" 1
645 1 54 ASN HB3 1 57 VAL MG1 . . 4.950 5.022 4.977 5.072 0.122 9 0 "[ . 1 . 2]" 1
646 1 54 ASN HB3 1 57 VAL MG2 . . 3.480 2.718 2.470 2.983 . 0 0 "[ . 1 . 2]" 1
647 1 54 ASN HD21 1 56 GLU QB . . 4.800 4.508 3.386 4.854 0.054 19 0 "[ . 1 . 2]" 1
648 1 54 ASN HD21 1 57 VAL H . . 5.180 4.805 4.327 5.102 . 0 0 "[ . 1 . 2]" 1
649 1 54 ASN HD21 1 57 VAL MG2 . . 4.180 3.410 2.383 4.239 0.059 18 0 "[ . 1 . 2]" 1
650 1 55 PRO HA 1 58 ILE H . . 3.750 3.616 3.150 3.780 0.030 2 0 "[ . 1 . 2]" 1
651 1 55 PRO HA 1 58 ILE HB . . 3.430 2.707 2.304 3.081 . 0 0 "[ . 1 . 2]" 1
652 1 55 PRO HA 1 58 ILE HG12 . . 4.490 3.444 2.754 3.811 . 0 0 "[ . 1 . 2]" 1
653 1 55 PRO HB2 1 56 GLU H . . 3.620 2.924 2.257 3.314 . 0 0 "[ . 1 . 2]" 1
654 1 55 PRO HB3 1 56 GLU H . . 4.150 4.053 3.735 4.187 0.037 13 0 "[ . 1 . 2]" 1
655 1 55 PRO HD2 1 56 GLU H . . 3.960 3.163 2.785 3.399 . 0 0 "[ . 1 . 2]" 1
656 1 55 PRO QG 1 56 GLU H . . 3.840 2.734 2.334 3.749 . 0 0 "[ . 1 . 2]" 1
657 1 56 GLU H 1 56 GLU QB . . 2.770 2.371 2.201 2.551 . 0 0 "[ . 1 . 2]" 1
658 1 56 GLU H 1 56 GLU HG3 . . 3.530 2.856 2.142 3.661 0.131 2 0 "[ . 1 . 2]" 1
659 1 56 GLU H 1 57 VAL H . . 3.110 2.431 2.373 2.524 . 0 0 "[ . 1 . 2]" 1
660 1 56 GLU H 1 57 VAL HA . . 5.010 5.055 5.040 5.079 0.069 16 0 "[ . 1 . 2]" 1
661 1 56 GLU H 1 57 VAL MG2 . . 4.770 3.816 3.683 4.092 . 0 0 "[ . 1 . 2]" 1
662 1 56 GLU H 1 58 ILE H . . 4.780 4.074 3.865 4.192 . 0 0 "[ . 1 . 2]" 1
663 1 56 GLU HA 1 56 GLU QB . . 2.590 2.360 2.326 2.385 . 0 0 "[ . 1 . 2]" 1
664 1 56 GLU HA 1 56 GLU HG3 . . 3.220 2.981 2.578 3.439 0.219 1 0 "[ . 1 . 2]" 1
665 1 56 GLU HA 1 59 HIS H . . 3.780 3.180 2.967 3.477 . 0 0 "[ . 1 . 2]" 1
666 1 56 GLU HA 1 59 HIS QB . . 2.930 2.202 1.937 2.630 . 0 0 "[ . 1 . 2]" 1
667 1 56 GLU QB 1 56 GLU HG2 . . 2.400 2.270 2.155 2.348 . 0 0 "[ . 1 . 2]" 1
668 1 56 GLU QB 1 56 GLU HG3 . . 2.400 2.300 2.049 2.408 0.008 17 0 "[ . 1 . 2]" 1
669 1 56 GLU QB 1 57 VAL H . . 3.400 2.777 2.461 3.038 . 0 0 "[ . 1 . 2]" 1
670 1 56 GLU QB 1 57 VAL MG2 . . 4.740 3.268 2.769 3.608 . 0 0 "[ . 1 . 2]" 1
671 1 56 GLU HG3 1 59 HIS QB . . 4.620 4.630 4.446 4.682 0.062 17 0 "[ . 1 . 2]" 1
672 1 57 VAL H 1 57 VAL HB . . 2.990 2.466 2.375 2.548 . 0 0 "[ . 1 . 2]" 1
673 1 57 VAL H 1 57 VAL MG1 . . 4.140 3.749 3.707 3.791 . 0 0 "[ . 1 . 2]" 1
674 1 57 VAL H 1 57 VAL MG2 . . 3.070 2.167 1.980 2.312 . 0 0 "[ . 1 . 2]" 1
675 1 57 VAL H 1 58 ILE H . . 3.300 2.483 2.338 2.608 . 0 0 "[ . 1 . 2]" 1
676 1 57 VAL H 1 58 ILE HB . . 4.880 4.486 4.306 4.691 . 0 0 "[ . 1 . 2]" 1
677 1 57 VAL H 1 58 ILE HG12 . . 5.220 4.177 3.957 4.340 . 0 0 "[ . 1 . 2]" 1
678 1 57 VAL H 1 59 HIS H . . 4.730 3.805 3.568 4.036 . 0 0 "[ . 1 . 2]" 1
679 1 57 VAL HA 1 57 VAL MG1 . . 3.120 2.463 2.437 2.510 . 0 0 "[ . 1 . 2]" 1
680 1 57 VAL HA 1 57 VAL MG2 . . 2.950 2.382 2.299 2.433 . 0 0 "[ . 1 . 2]" 1
681 1 57 VAL HA 1 58 ILE H . . 3.470 3.488 3.478 3.501 0.031 6 0 "[ . 1 . 2]" 1
682 1 57 VAL HA 1 60 ARG H . . 4.020 3.516 3.157 3.701 . 0 0 "[ . 1 . 2]" 1
683 1 57 VAL HB 1 58 ILE H . . 3.410 2.398 2.209 2.693 . 0 0 "[ . 1 . 2]" 1
684 1 57 VAL MG1 1 58 ILE H . . 4.140 3.292 3.126 3.468 . 0 0 "[ . 1 . 2]" 1
685 1 57 VAL MG1 1 60 ARG H . . 5.210 4.725 4.419 4.944 . 0 0 "[ . 1 . 2]" 1
686 1 57 VAL MG1 1 61 GLN HE21 . . 4.300 2.767 1.764 4.259 . 0 0 "[ . 1 . 2]" 1
687 1 57 VAL MG1 1 61 GLN HE22 . . 4.870 3.074 2.500 3.964 . 0 0 "[ . 1 . 2]" 1
688 1 57 VAL MG1 1 61 GLN HG2 . . 4.280 4.230 3.886 4.344 0.064 8 0 "[ . 1 . 2]" 1
689 1 57 VAL MG2 1 60 ARG H . . 5.500 5.241 4.919 5.445 . 0 0 "[ . 1 . 2]" 1
690 1 58 ILE H 1 58 ILE HB . . 3.010 2.477 2.405 2.519 . 0 0 "[ . 1 . 2]" 1
691 1 58 ILE H 1 58 ILE MD . . 3.810 3.216 3.127 3.323 . 0 0 "[ . 1 . 2]" 1
692 1 58 ILE H 1 58 ILE HG12 . . 3.480 2.161 2.066 2.248 . 0 0 "[ . 1 . 2]" 1
693 1 58 ILE H 1 58 ILE HG13 . . 3.670 3.610 3.540 3.677 0.007 2 0 "[ . 1 . 2]" 1
694 1 58 ILE H 1 58 ILE MG . . 3.770 3.752 3.728 3.775 0.005 9 0 "[ . 1 . 2]" 1
695 1 58 ILE H 1 59 HIS H . . 3.140 2.684 2.514 2.794 . 0 0 "[ . 1 . 2]" 1
696 1 58 ILE HA 1 58 ILE MD . . 3.820 2.044 2.010 2.112 . 0 0 "[ . 1 . 2]" 1
697 1 58 ILE HA 1 58 ILE HG12 . . 3.720 3.080 3.009 3.126 . 0 0 "[ . 1 . 2]" 1
698 1 58 ILE HA 1 58 ILE HG13 . . 3.640 3.714 3.696 3.733 0.093 10 0 "[ . 1 . 2]" 1
699 1 58 ILE HA 1 58 ILE MG . . 3.210 2.481 2.415 2.550 . 0 0 "[ . 1 . 2]" 1
700 1 58 ILE HA 1 61 GLN H . . 3.880 3.539 3.353 3.754 . 0 0 "[ . 1 . 2]" 1
701 1 58 ILE HA 1 61 GLN QB . . 3.460 2.973 2.707 3.299 . 0 0 "[ . 1 . 2]" 1
702 1 58 ILE HA 1 61 GLN HE21 . . 5.310 4.048 1.723 5.331 0.021 5 0 "[ . 1 . 2]" 1
703 1 58 ILE HA 1 61 GLN HG2 . . 4.610 4.568 4.326 4.677 0.067 9 0 "[ . 1 . 2]" 1
704 1 58 ILE HA 1 62 LEU H . . 4.820 4.231 4.019 4.507 . 0 0 "[ . 1 . 2]" 1
705 1 58 ILE HB 1 58 ILE MD . . 3.250 3.255 3.244 3.261 0.011 10 0 "[ . 1 . 2]" 1
706 1 58 ILE HB 1 59 HIS H . . 3.540 2.501 2.386 2.643 . 0 0 "[ . 1 . 2]" 1
707 1 58 ILE HB 1 59 HIS QB . . 4.640 4.039 3.856 4.226 . 0 0 "[ . 1 . 2]" 1
708 1 58 ILE MD 1 58 ILE MG . . 2.900 2.060 2.008 2.097 . 0 0 "[ . 1 . 2]" 1
709 1 58 ILE HG12 1 58 ILE MG . . 3.710 3.205 3.197 3.211 . 0 0 "[ . 1 . 2]" 1
710 1 58 ILE HG13 1 58 ILE MG . . 3.690 2.300 2.273 2.327 . 0 0 "[ . 1 . 2]" 1
711 1 58 ILE MG 1 59 HIS H . . 3.940 3.297 3.122 3.436 . 0 0 "[ . 1 . 2]" 1
712 1 58 ILE MG 1 61 GLN H . . 4.550 4.577 4.509 4.617 0.067 10 0 "[ . 1 . 2]" 1
713 1 58 ILE MG 1 61 GLN QB . . 4.740 3.601 3.357 3.790 . 0 0 "[ . 1 . 2]" 1
714 1 58 ILE MG 1 62 LEU H . . 4.370 3.929 3.803 4.167 . 0 0 "[ . 1 . 2]" 1
715 1 58 ILE MG 1 62 LEU HG . . 3.660 3.177 2.792 3.651 . 0 0 "[ . 1 . 2]" 1
716 1 59 HIS H 1 59 HIS QB . . 2.910 2.242 2.154 2.300 . 0 0 "[ . 1 . 2]" 1
717 1 59 HIS H 1 59 HIS HD2 . . 5.260 5.005 4.759 5.129 . 0 0 "[ . 1 . 2]" 1
718 1 59 HIS H 1 60 ARG H . . 3.580 2.834 2.742 3.130 . 0 0 "[ . 1 . 2]" 1
719 1 59 HIS H 1 62 LEU H . . 5.490 4.816 4.724 4.910 . 0 0 "[ . 1 . 2]" 1
720 1 59 HIS HA 1 59 HIS HD2 . . 4.740 2.840 2.410 3.398 . 0 0 "[ . 1 . 2]" 1
721 1 59 HIS HA 1 62 LEU H . . 3.490 3.539 3.403 3.619 0.129 5 0 "[ . 1 . 2]" 1
722 1 59 HIS QB 1 60 ARG H . . 3.220 2.652 2.478 2.920 . 0 0 "[ . 1 . 2]" 1
723 1 60 ARG H 1 60 ARG HB2 . . 3.000 2.578 2.263 3.341 0.341 8 0 "[ . 1 . 2]" 1
724 1 60 ARG H 1 60 ARG QD . . 4.290 4.119 2.793 4.412 0.122 3 0 "[ . 1 . 2]" 1
725 1 60 ARG H 1 60 ARG HG3 . . 4.390 4.222 3.062 4.441 0.051 15 0 "[ . 1 . 2]" 1
726 1 60 ARG H 1 61 GLN H . . 3.490 2.630 2.274 2.816 . 0 0 "[ . 1 . 2]" 1
727 1 60 ARG H 1 62 LEU H . . 4.440 4.146 3.910 4.277 . 0 0 "[ . 1 . 2]" 1
728 1 60 ARG HA 1 63 ASN HB2 . . 3.230 2.989 2.632 3.293 0.063 14 0 "[ . 1 . 2]" 1
729 1 60 ARG HA 1 63 ASN HB3 . . 3.530 2.970 2.559 3.541 0.011 16 0 "[ . 1 . 2]" 1
730 1 60 ARG HB2 1 60 ARG QD . . 3.920 2.560 2.280 3.334 . 0 0 "[ . 1 . 2]" 1
731 1 60 ARG HB2 1 61 GLN H . . 3.770 3.653 2.437 3.827 0.057 18 0 "[ . 1 . 2]" 1
732 1 60 ARG HD2 1 61 GLN H . . 5.500 5.191 4.441 5.515 0.015 17 0 "[ . 1 . 2]" 1
733 1 60 ARG HG2 1 61 GLN H . . 3.650 3.509 2.901 3.768 0.118 3 0 "[ . 1 . 2]" 1
734 1 60 ARG HG2 1 61 GLN HG3 . . 3.760 3.751 3.027 3.869 0.109 13 0 "[ . 1 . 2]" 1
735 1 61 GLN H 1 61 GLN QB . . 3.170 2.441 2.338 2.520 . 0 0 "[ . 1 . 2]" 1
736 1 61 GLN H 1 61 GLN HG2 . . 3.530 3.147 2.911 3.382 . 0 0 "[ . 1 . 2]" 1
737 1 61 GLN H 1 61 GLN HG3 . . 3.760 1.959 1.773 2.132 . 0 0 "[ . 1 . 2]" 1
738 1 61 GLN H 1 62 LEU H . . 3.580 2.479 2.346 2.668 . 0 0 "[ . 1 . 2]" 1
739 1 61 GLN H 1 63 ASN H . . 4.920 3.879 3.765 4.100 . 0 0 "[ . 1 . 2]" 1
740 1 61 GLN HA 1 61 GLN HG2 . . 3.690 2.447 2.322 2.573 . 0 0 "[ . 1 . 2]" 1
741 1 61 GLN HA 1 61 GLN HG3 . . 3.780 3.066 2.901 3.253 . 0 0 "[ . 1 . 2]" 1
742 1 61 GLN QB 1 62 LEU H . . 3.790 2.357 2.209 2.552 . 0 0 "[ . 1 . 2]" 1
743 1 61 GLN QB 1 62 LEU MD1 . . 4.430 4.038 3.588 4.404 . 0 0 "[ . 1 . 2]" 1
744 1 61 GLN HG2 1 62 LEU H . . 4.500 4.641 4.603 4.679 0.179 6 0 "[ . 1 . 2]" 1
745 1 62 LEU H 1 62 LEU MD1 . . 4.760 3.873 3.712 4.042 . 0 0 "[ . 1 . 2]" 1
746 1 62 LEU H 1 63 ASN H . . 3.590 2.549 2.448 2.656 . 0 0 "[ . 1 . 2]" 1
747 1 62 LEU H 1 63 ASN HB2 . . 4.480 4.535 4.501 4.577 0.097 19 0 "[ . 1 . 2]" 1
748 1 62 LEU H 1 64 ARG H . . 4.990 4.145 3.933 4.346 . 0 0 "[ . 1 . 2]" 1
749 1 62 LEU HA 1 62 LEU MD1 . . 2.920 2.098 2.027 2.220 . 0 0 "[ . 1 . 2]" 1
750 1 62 LEU HA 1 62 LEU HG . . 4.070 3.769 3.746 3.791 . 0 0 "[ . 1 . 2]" 1
751 1 62 LEU HA 1 65 LEU HB2 . . 4.070 3.347 2.959 3.739 . 0 0 "[ . 1 . 2]" 1
752 1 62 LEU HA 1 65 LEU MD1 . . 3.460 2.572 2.218 2.911 . 0 0 "[ . 1 . 2]" 1
753 1 62 LEU HA 1 65 LEU MD2 . . 4.740 4.207 3.987 4.425 . 0 0 "[ . 1 . 2]" 1
754 1 62 LEU HA 1 73 TRP HH2 . . 4.640 4.200 3.987 4.587 . 0 0 "[ . 1 . 2]" 1
755 1 62 LEU HA 1 73 TRP HZ3 . . 4.420 2.880 2.550 3.359 . 0 0 "[ . 1 . 2]" 1
756 1 62 LEU QB 1 63 ASN H . . 4.220 2.908 2.795 2.990 . 0 0 "[ . 1 . 2]" 1
757 1 62 LEU MD1 1 63 ASN H . . 4.980 4.854 4.780 4.943 . 0 0 "[ . 1 . 2]" 1
758 1 62 LEU MD1 1 65 LEU MD1 . . 3.220 1.943 1.844 2.137 . 0 0 "[ . 1 . 2]" 1
759 1 62 LEU MD1 1 73 TRP HH2 . . 3.420 2.141 1.983 2.298 . 0 0 "[ . 1 . 2]" 1
760 1 62 LEU MD1 1 73 TRP HZ2 . . 4.080 3.836 3.332 4.083 0.003 4 0 "[ . 1 . 2]" 1
761 1 62 LEU MD1 1 73 TRP HZ3 . . 4.410 2.349 2.001 3.008 . 0 0 "[ . 1 . 2]" 1
762 1 62 LEU MD1 1 76 PHE QD . . 4.200 3.587 3.386 3.731 . 0 0 "[ . 1 . 2]" 1
763 1 62 LEU MD1 1 76 PHE HE2 . . 3.780 2.391 2.184 2.582 . 0 0 "[ . 1 . 2]" 1
764 1 62 LEU MD1 1 76 PHE HZ . . 4.180 2.940 2.636 3.227 . 0 0 "[ . 1 . 2]" 1
765 1 63 ASN H 1 63 ASN HB2 . . 3.010 2.247 2.150 2.345 . 0 0 "[ . 1 . 2]" 1
766 1 63 ASN H 1 63 ASN HB3 . . 3.230 2.434 2.315 2.595 . 0 0 "[ . 1 . 2]" 1
767 1 63 ASN H 1 63 ASN HD21 . . 5.140 4.393 4.240 4.576 . 0 0 "[ . 1 . 2]" 1
768 1 63 ASN H 1 63 ASN HD22 . . 5.410 5.532 5.484 5.581 0.171 14 0 "[ . 1 . 2]" 1
769 1 63 ASN H 1 64 ARG H . . 3.230 2.653 2.533 2.792 . 0 0 "[ . 1 . 2]" 1
770 1 63 ASN HA 1 63 ASN HD21 . . 4.390 3.111 1.848 4.407 0.017 15 0 "[ . 1 . 2]" 1
771 1 63 ASN HA 1 66 PHE H . . 5.000 3.615 3.305 3.895 . 0 0 "[ . 1 . 2]" 1
772 1 63 ASN HA 1 66 PHE QB . . 3.820 3.071 2.237 3.922 0.102 8 0 "[ . 1 . 2]" 1
773 1 63 ASN HA 1 67 ALA H . . 5.050 4.507 4.193 5.086 0.036 20 0 "[ . 1 . 2]" 1
774 1 63 ASN HB2 1 64 ARG H . . 3.720 3.562 3.438 3.762 0.042 6 0 "[ . 1 . 2]" 1
775 1 63 ASN HB3 1 64 ARG H . . 3.530 2.220 1.971 2.456 . 0 0 "[ . 1 . 2]" 1
776 1 63 ASN HB3 1 64 ARG HA . . 3.920 3.961 3.858 4.009 0.089 18 0 "[ . 1 . 2]" 1
777 1 63 ASN HD22 1 64 ARG H . . 5.230 5.238 4.955 5.380 0.150 1 0 "[ . 1 . 2]" 1
778 1 64 ARG H 1 64 ARG HD2 . . 5.080 4.794 4.606 5.270 0.190 6 0 "[ . 1 . 2]" 1
779 1 64 ARG H 1 64 ARG HG3 . . 3.770 3.680 3.498 3.942 0.172 6 0 "[ . 1 . 2]" 1
780 1 64 ARG HA 1 64 ARG HD2 . . 3.260 3.120 2.775 3.363 0.103 6 0 "[ . 1 . 2]" 1
781 1 64 ARG HA 1 67 ALA H . . 3.780 3.406 3.157 3.653 . 0 0 "[ . 1 . 2]" 1
782 1 64 ARG HA 1 67 ALA MB . . 3.420 2.460 2.180 3.189 . 0 0 "[ . 1 . 2]" 1
783 1 64 ARG HA 1 68 GLN HE21 . . 4.380 4.112 3.528 4.447 0.067 13 0 "[ . 1 . 2]" 1
784 1 64 ARG QB 1 64 ARG HD2 . . 3.310 2.325 2.189 3.354 0.044 6 0 "[ . 1 . 2]" 1
785 1 64 ARG HD2 1 64 ARG HG2 . . 2.920 2.948 2.448 2.983 0.063 14 0 "[ . 1 . 2]" 1
786 1 64 ARG HD2 1 67 ALA MB . . 4.560 4.109 3.428 4.584 0.024 10 0 "[ . 1 . 2]" 1
787 1 65 LEU H 1 65 LEU HB2 . . 3.300 2.456 2.381 2.534 . 0 0 "[ . 1 . 2]" 1
788 1 65 LEU H 1 65 LEU HB3 . . 3.660 3.588 3.571 3.613 . 0 0 "[ . 1 . 2]" 1
789 1 65 LEU H 1 65 LEU MD1 . . 4.180 3.602 3.474 3.773 . 0 0 "[ . 1 . 2]" 1
790 1 65 LEU H 1 65 LEU MD2 . . 4.080 3.306 3.177 3.451 . 0 0 "[ . 1 . 2]" 1
791 1 65 LEU H 1 65 LEU HG . . 3.660 2.302 2.100 2.455 . 0 0 "[ . 1 . 2]" 1
792 1 65 LEU H 1 66 PHE H . . 3.890 2.520 2.396 2.694 . 0 0 "[ . 1 . 2]" 1
793 1 65 LEU HA 1 65 LEU MD1 . . 3.880 3.767 3.675 3.824 . 0 0 "[ . 1 . 2]" 1
794 1 65 LEU HA 1 65 LEU MD2 . . 2.970 2.040 1.943 2.095 . 0 0 "[ . 1 . 2]" 1
795 1 65 LEU HA 1 68 GLN HB3 . . 4.420 4.328 3.201 4.458 0.038 15 0 "[ . 1 . 2]" 1
796 1 65 LEU HA 1 68 GLN HE21 . . 5.110 3.892 3.555 4.422 . 0 0 "[ . 1 . 2]" 1
797 1 65 LEU HA 1 68 GLN HG2 . . 3.590 2.321 2.086 2.649 . 0 0 "[ . 1 . 2]" 1
798 1 65 LEU HA 1 68 GLN HG3 . . 3.770 3.696 3.508 3.927 0.157 18 0 "[ . 1 . 2]" 1
799 1 65 LEU HA 1 72 THR MG . . 3.650 3.156 2.831 3.508 . 0 0 "[ . 1 . 2]" 1
800 1 65 LEU HB2 1 65 LEU MD1 . . 3.240 2.255 2.201 2.343 . 0 0 "[ . 1 . 2]" 1
801 1 65 LEU HB2 1 66 PHE H . . 3.980 2.544 2.355 2.780 . 0 0 "[ . 1 . 2]" 1
802 1 65 LEU HB2 1 72 THR MG . . 5.340 4.447 4.091 4.790 . 0 0 "[ . 1 . 2]" 1
803 1 65 LEU HB2 1 73 TRP HE3 . . 4.360 2.153 1.959 2.551 . 0 0 "[ . 1 . 2]" 1
804 1 65 LEU HB2 1 73 TRP HZ3 . . 4.200 2.402 1.978 2.696 . 0 0 "[ . 1 . 2]" 1
805 1 65 LEU HB3 1 66 PHE H . . 3.990 3.618 3.478 3.802 . 0 0 "[ . 1 . 2]" 1
806 1 65 LEU HB3 1 72 THR MG . . 4.030 2.951 2.638 3.295 . 0 0 "[ . 1 . 2]" 1
807 1 65 LEU HB3 1 73 TRP HE3 . . 4.340 2.518 2.214 2.706 . 0 0 "[ . 1 . 2]" 1
808 1 65 LEU HB3 1 73 TRP HZ3 . . 4.840 3.771 3.339 4.082 . 0 0 "[ . 1 . 2]" 1
809 1 65 LEU MD1 1 72 THR MG . . 3.760 3.857 3.808 3.923 0.163 9 0 "[ . 1 . 2]" 1
810 1 65 LEU MD1 1 73 TRP HZ3 . . 4.460 2.376 1.864 3.065 . 0 0 "[ . 1 . 2]" 1
811 1 65 LEU MD1 1 76 PHE HB2 . . 4.920 2.982 2.748 3.226 . 0 0 "[ . 1 . 2]" 1
812 1 65 LEU MD1 1 76 PHE HB3 . . 5.050 3.292 2.901 3.639 . 0 0 "[ . 1 . 2]" 1
813 1 65 LEU MD1 1 76 PHE QD . . 3.940 2.793 2.742 2.882 . 0 0 "[ . 1 . 2]" 1
814 1 65 LEU MD1 1 76 PHE HE2 . . 4.250 3.334 3.073 3.657 . 0 0 "[ . 1 . 2]" 1
815 1 65 LEU MD1 1 76 PHE HZ . . 4.610 3.248 3.023 3.479 . 0 0 "[ . 1 . 2]" 1
816 1 65 LEU MD2 1 68 GLN HG2 . . 3.520 2.946 2.480 3.234 . 0 0 "[ . 1 . 2]" 1
817 1 65 LEU MD2 1 72 THR MG . . 3.400 2.791 2.374 3.107 . 0 0 "[ . 1 . 2]" 1
818 1 65 LEU MD2 1 73 TRP HA . . 4.790 4.577 4.271 4.803 0.013 8 0 "[ . 1 . 2]" 1
819 1 65 LEU MD2 1 73 TRP HE3 . . 4.420 4.359 4.073 4.466 0.046 11 0 "[ . 1 . 2]" 1
820 1 65 LEU MD2 1 73 TRP HZ3 . . 4.880 4.702 4.400 4.894 0.014 16 0 "[ . 1 . 2]" 1
821 1 65 LEU MD2 1 76 PHE HB3 . . 4.620 4.495 3.955 4.676 0.056 20 0 "[ . 1 . 2]" 1
822 1 65 LEU MD2 1 76 PHE QD . . 4.230 3.387 2.976 3.855 . 0 0 "[ . 1 . 2]" 1
823 1 65 LEU HG 1 73 TRP HE3 . . 4.960 4.450 4.140 4.893 . 0 0 "[ . 1 . 2]" 1
824 1 66 PHE H 1 66 PHE QB . . 3.490 2.251 2.175 2.332 . 0 0 "[ . 1 . 2]" 1
825 1 66 PHE H 1 66 PHE QD . . 4.860 4.136 3.117 4.213 . 0 0 "[ . 1 . 2]" 1
826 1 66 PHE H 1 67 ALA H . . 3.600 2.507 2.386 2.769 . 0 0 "[ . 1 . 2]" 1
827 1 66 PHE H 1 67 ALA MB . . 4.840 4.198 4.058 4.491 . 0 0 "[ . 1 . 2]" 1
828 1 66 PHE HA 1 66 PHE QD . . 3.470 2.773 2.358 3.575 0.105 8 0 "[ . 1 . 2]" 1
829 1 66 PHE HA 1 73 TRP HE3 . . 4.180 3.691 3.170 4.195 0.015 12 0 "[ . 1 . 2]" 1
830 1 66 PHE QB 1 67 ALA H . . 3.670 2.750 2.412 3.605 . 0 0 "[ . 1 . 2]" 1
831 1 66 PHE QD 1 67 ALA H . . 4.870 3.828 3.270 4.223 . 0 0 "[ . 1 . 2]" 1
832 1 66 PHE QD 1 67 ALA HA . . 4.350 3.821 3.088 4.386 0.036 3 0 "[ . 1 . 2]" 1
833 1 67 ALA H 1 67 ALA MB . . 2.780 2.243 2.219 2.263 . 0 0 "[ . 1 . 2]" 1
834 1 67 ALA H 1 68 GLN H . . 3.570 2.661 2.386 2.781 . 0 0 "[ . 1 . 2]" 1
835 1 67 ALA MB 1 68 GLN H . . 3.820 2.877 2.586 3.158 . 0 0 "[ . 1 . 2]" 1
836 1 67 ALA MB 1 68 GLN HE21 . . 5.060 3.343 2.579 4.067 . 0 0 "[ . 1 . 2]" 1
837 1 67 ALA MB 1 68 GLN HE22 . . 5.260 3.810 2.938 4.573 . 0 0 "[ . 1 . 2]" 1
838 1 67 ALA MB 1 69 GLY H . . 4.860 4.718 4.485 4.882 0.022 10 0 "[ . 1 . 2]" 1
839 1 68 GLN H 1 68 GLN HB2 . . 3.550 2.281 2.116 2.346 . 0 0 "[ . 1 . 2]" 1
840 1 68 GLN H 1 68 GLN HB3 . . 3.300 3.480 3.361 3.508 0.208 4 0 "[ . 1 . 2]" 1
841 1 68 GLN H 1 68 GLN HG3 . . 4.060 3.984 3.865 4.112 0.052 18 0 "[ . 1 . 2]" 1
842 1 68 GLN H 1 69 GLY HA3 . . 5.440 4.996 4.857 5.232 . 0 0 "[ . 1 . 2]" 1
843 1 68 GLN H 1 72 THR MG . . 5.370 4.035 3.769 4.585 . 0 0 "[ . 1 . 2]" 1
844 1 68 GLN HA 1 68 GLN HE22 . . 5.300 3.748 3.260 4.240 . 0 0 "[ . 1 . 2]" 1
845 1 68 GLN HA 1 68 GLN HG2 . . 3.640 3.614 3.544 3.672 0.032 18 0 "[ . 1 . 2]" 1
846 1 68 GLN HA 1 68 GLN HG3 . . 3.610 3.529 2.662 3.629 0.019 9 0 "[ . 1 . 2]" 1
847 1 68 GLN HB2 1 69 GLY H . . 4.300 2.348 2.135 2.522 . 0 0 "[ . 1 . 2]" 1
848 1 68 GLN HB2 1 72 THR H . . 5.430 4.998 4.816 5.517 0.087 18 0 "[ . 1 . 2]" 1
849 1 68 GLN HB2 1 72 THR HB . . 3.960 2.762 2.620 3.342 . 0 0 "[ . 1 . 2]" 1
850 1 68 GLN HB2 1 72 THR MG . . 3.380 2.081 1.906 2.760 . 0 0 "[ . 1 . 2]" 1
851 1 68 GLN HB3 1 68 GLN HG3 . . 2.860 2.200 2.162 2.305 . 0 0 "[ . 1 . 2]" 1
852 1 68 GLN HB3 1 69 GLY H . . 4.080 3.291 2.906 3.562 . 0 0 "[ . 1 . 2]" 1
853 1 68 GLN HB3 1 72 THR H . . 5.180 5.113 4.721 5.250 0.070 8 0 "[ . 1 . 2]" 1
854 1 68 GLN HB3 1 72 THR HB . . 3.840 3.324 2.727 3.570 . 0 0 "[ . 1 . 2]" 1
855 1 68 GLN HB3 1 72 THR MG . . 3.380 2.289 1.928 2.596 . 0 0 "[ . 1 . 2]" 1
856 1 68 GLN HE21 1 68 GLN HG3 . . 3.630 3.220 2.978 3.487 . 0 0 "[ . 1 . 2]" 1
857 1 68 GLN HE21 1 72 THR MG . . 5.500 4.981 4.786 5.186 . 0 0 "[ . 1 . 2]" 1
858 1 68 GLN HG2 1 69 GLY H . . 5.010 4.396 4.163 4.827 . 0 0 "[ . 1 . 2]" 1
859 1 68 GLN HG2 1 72 THR MG . . 3.640 3.060 2.698 3.298 . 0 0 "[ . 1 . 2]" 1
860 1 68 GLN HG3 1 69 GLY H . . 5.160 4.831 4.666 4.998 . 0 0 "[ . 1 . 2]" 1
861 1 68 GLN HG3 1 72 THR MG . . 3.700 2.668 2.360 3.135 . 0 0 "[ . 1 . 2]" 1
862 1 69 GLY H 1 70 MET H . . 4.740 4.055 3.923 4.124 . 0 0 "[ . 1 . 2]" 1
863 1 69 GLY HA2 1 70 MET H . . 3.220 2.097 2.052 2.139 . 0 0 "[ . 1 . 2]" 1
864 1 69 GLY HA2 1 71 ALA H . . 3.200 3.275 3.245 3.296 0.096 3 0 "[ . 1 . 2]" 1
865 1 69 GLY HA2 1 71 ALA MB . . 4.030 4.118 4.075 4.184 0.154 2 0 "[ . 1 . 2]" 1
866 1 69 GLY HA2 1 72 THR H . . 3.490 3.505 3.415 3.547 0.057 11 0 "[ . 1 . 2]" 1
867 1 69 GLY HA2 1 72 THR HB . . 3.720 3.794 3.745 3.825 0.105 16 0 "[ . 1 . 2]" 1
868 1 69 GLY HA3 1 70 MET H . . 3.470 3.072 3.016 3.135 . 0 0 "[ . 1 . 2]" 1
869 1 70 MET H 1 70 MET QG . . 4.570 2.673 2.053 3.989 . 0 0 "[ . 1 . 2]" 1
870 1 70 MET H 1 71 ALA H . . 4.140 2.300 2.208 2.400 . 0 0 "[ . 1 . 2]" 1
871 1 70 MET H 1 71 ALA MB . . 4.970 3.927 3.857 4.013 . 0 0 "[ . 1 . 2]" 1
872 1 70 MET H 1 72 THR H . . 5.040 3.731 3.497 3.869 . 0 0 "[ . 1 . 2]" 1
873 1 70 MET QG 1 71 ALA H . . 4.380 2.882 2.271 4.305 . 0 0 "[ . 1 . 2]" 1
874 1 70 MET QG 1 72 THR H . . 5.470 4.821 4.281 5.568 0.098 1 0 "[ . 1 . 2]" 1
875 1 71 ALA H 1 71 ALA MB . . 3.020 2.170 2.151 2.200 . 0 0 "[ . 1 . 2]" 1
876 1 71 ALA H 1 72 THR H . . 3.600 2.409 2.300 2.541 . 0 0 "[ . 1 . 2]" 1
877 1 71 ALA H 1 72 THR HB . . 4.650 4.385 4.310 4.444 . 0 0 "[ . 1 . 2]" 1
878 1 71 ALA H 1 73 TRP H . . 5.450 3.878 3.762 4.045 . 0 0 "[ . 1 . 2]" 1
879 1 71 ALA HA 1 74 LYS H . . 3.830 3.288 3.143 3.437 . 0 0 "[ . 1 . 2]" 1
880 1 71 ALA HA 1 74 LYS QB . . 3.180 2.850 2.059 3.315 0.135 9 0 "[ . 1 . 2]" 1
881 1 71 ALA HA 1 74 LYS QD . . 4.380 2.786 2.190 3.927 . 0 0 "[ . 1 . 2]" 1
882 1 71 ALA HA 1 74 LYS QE . . 4.600 3.011 1.838 4.698 0.098 16 0 "[ . 1 . 2]" 1
883 1 71 ALA HA 1 74 LYS HG2 . . 4.080 3.945 2.228 4.183 0.103 4 0 "[ . 1 . 2]" 1
884 1 71 ALA MB 1 72 THR H . . 3.320 2.485 2.348 2.649 . 0 0 "[ . 1 . 2]" 1
885 1 71 ALA MB 1 72 THR HA . . 4.720 3.864 3.800 3.928 . 0 0 "[ . 1 . 2]" 1
886 1 71 ALA MB 1 72 THR HB . . 5.130 4.512 4.428 4.649 . 0 0 "[ . 1 . 2]" 1
887 1 71 ALA MB 1 73 TRP H . . 5.280 4.446 4.369 4.595 . 0 0 "[ . 1 . 2]" 1
888 1 72 THR H 1 72 THR HB . . 3.190 2.389 2.317 2.466 . 0 0 "[ . 1 . 2]" 1
889 1 72 THR H 1 72 THR MG . . 4.300 3.734 3.678 3.795 . 0 0 "[ . 1 . 2]" 1
890 1 72 THR H 1 73 TRP H . . 3.340 2.688 2.468 2.795 . 0 0 "[ . 1 . 2]" 1
891 1 72 THR HA 1 72 THR MG . . 3.150 2.475 2.419 2.519 . 0 0 "[ . 1 . 2]" 1
892 1 72 THR HA 1 76 PHE H . . 4.280 3.942 3.788 4.105 . 0 0 "[ . 1 . 2]" 1
893 1 72 THR HB 1 73 TRP H . . 3.620 2.678 2.530 2.834 . 0 0 "[ . 1 . 2]" 1
894 1 72 THR MG 1 73 TRP H . . 3.960 3.468 3.309 3.599 . 0 0 "[ . 1 . 2]" 1
895 1 72 THR MG 1 73 TRP HA . . 4.500 3.560 3.340 3.737 . 0 0 "[ . 1 . 2]" 1
896 1 72 THR MG 1 76 PHE H . . 4.330 4.001 3.792 4.151 . 0 0 "[ . 1 . 2]" 1
897 1 72 THR MG 1 76 PHE HB3 . . 4.980 4.284 4.101 4.669 . 0 0 "[ . 1 . 2]" 1
898 1 73 TRP H 1 73 TRP QB . . 3.670 2.232 2.172 2.282 . 0 0 "[ . 1 . 2]" 1
899 1 73 TRP H 1 73 TRP HE3 . . 4.930 4.497 4.309 4.632 . 0 0 "[ . 1 . 2]" 1
900 1 73 TRP H 1 74 LYS H . . 3.610 2.779 2.666 2.916 . 0 0 "[ . 1 . 2]" 1
901 1 73 TRP H 1 74 LYS QB . . 5.020 4.761 4.192 4.956 . 0 0 "[ . 1 . 2]" 1
902 1 73 TRP HA 1 73 TRP HE3 . . 3.300 2.914 2.641 3.297 . 0 0 "[ . 1 . 2]" 1
903 1 73 TRP HA 1 75 SER H . . 4.910 4.500 4.241 4.666 . 0 0 "[ . 1 . 2]" 1
904 1 73 TRP HA 1 76 PHE H . . 3.810 3.366 3.120 3.604 . 0 0 "[ . 1 . 2]" 1
905 1 73 TRP HA 1 76 PHE HB2 . . 3.460 3.166 2.701 3.483 0.023 9 0 "[ . 1 . 2]" 1
906 1 73 TRP HA 1 76 PHE HB3 . . 3.890 2.413 2.173 2.599 . 0 0 "[ . 1 . 2]" 1
907 1 73 TRP HA 1 76 PHE QD . . 4.230 3.839 3.489 4.111 . 0 0 "[ . 1 . 2]" 1
908 1 73 TRP QB 1 74 LYS H . . 3.910 2.503 2.259 2.775 . 0 0 "[ . 1 . 2]" 1
909 1 73 TRP HD1 1 77 ILE MD . . 5.450 4.280 3.680 4.717 . 0 0 "[ . 1 . 2]" 1
910 1 73 TRP HD1 1 77 ILE HG12 . . 4.580 3.733 3.120 4.152 . 0 0 "[ . 1 . 2]" 1
911 1 73 TRP HD1 1 77 ILE MG . . 5.300 5.178 4.882 5.362 0.062 9 0 "[ . 1 . 2]" 1
912 1 73 TRP HD1 1 95 VAL HA . . 3.420 2.041 1.796 2.949 . 0 0 "[ . 1 . 2]" 1
913 1 73 TRP HD1 1 95 VAL MG1 . . 4.100 3.792 3.194 4.055 . 0 0 "[ . 1 . 2]" 1
914 1 73 TRP HD1 1 95 VAL MG2 . . 3.860 2.933 1.717 3.966 0.106 4 0 "[ . 1 . 2]" 1
915 1 73 TRP HD1 1 97 ILE MG . . 3.730 3.771 3.585 3.847 0.117 16 0 "[ . 1 . 2]" 1
916 1 73 TRP HE3 1 76 PHE QD . . 4.830 4.478 3.842 4.862 0.032 18 0 "[ . 1 . 2]" 1
917 1 73 TRP HH2 1 77 ILE MD . . 5.100 4.118 3.461 5.126 0.026 16 0 "[ . 1 . 2]" 1
918 1 73 TRP HZ2 1 77 ILE MD . . 3.830 3.034 2.460 3.847 0.017 17 0 "[ . 1 . 2]" 1
919 1 73 TRP HZ2 1 97 ILE MD . . 4.630 3.821 2.511 4.773 0.143 15 0 "[ . 1 . 2]" 1
920 1 73 TRP HZ2 1 97 ILE MG . . 4.020 2.265 1.927 2.960 . 0 0 "[ . 1 . 2]" 1
921 1 74 LYS H 1 74 LYS QB . . 2.870 2.519 1.953 2.667 . 0 0 "[ . 1 . 2]" 1
922 1 74 LYS H 1 74 LYS QD . . 4.150 3.922 3.683 4.317 0.167 9 0 "[ . 1 . 2]" 1
923 1 74 LYS H 1 74 LYS HG2 . . 3.540 2.950 2.350 3.757 0.217 16 0 "[ . 1 . 2]" 1
924 1 74 LYS H 1 74 LYS HG3 . . 4.410 2.299 1.826 4.189 . 0 0 "[ . 1 . 2]" 1
925 1 74 LYS H 1 75 SER H . . 3.440 2.870 2.578 3.008 . 0 0 "[ . 1 . 2]" 1
926 1 74 LYS H 1 75 SER HA . . 5.390 5.352 5.121 5.426 0.036 7 0 "[ . 1 . 2]" 1
927 1 74 LYS H 1 76 PHE H . . 4.660 4.129 3.887 4.349 . 0 0 "[ . 1 . 2]" 1
928 1 74 LYS H 1 95 VAL MG1 . . 4.470 4.428 4.021 4.737 0.267 11 0 "[ . 1 . 2]" 1
929 1 74 LYS H 1 95 VAL MG2 . . 4.530 3.822 2.662 4.680 0.150 7 0 "[ . 1 . 2]" 1
930 1 74 LYS HA 1 74 LYS HG2 . . 3.830 2.767 2.539 3.833 0.003 19 0 "[ . 1 . 2]" 1
931 1 74 LYS HA 1 74 LYS HG3 . . 3.670 3.296 2.581 3.637 . 0 0 "[ . 1 . 2]" 1
932 1 74 LYS HA 1 75 SER HA . . 4.730 4.746 4.635 4.771 0.041 18 0 "[ . 1 . 2]" 1
933 1 74 LYS HA 1 77 ILE H . . 4.120 3.564 3.100 3.828 . 0 0 "[ . 1 . 2]" 1
934 1 74 LYS HA 1 77 ILE HB . . 3.710 3.189 2.762 3.529 . 0 0 "[ . 1 . 2]" 1
935 1 74 LYS HA 1 77 ILE HG13 . . 4.600 4.092 3.448 4.521 . 0 0 "[ . 1 . 2]" 1
936 1 74 LYS HA 1 78 ASN H . . 4.660 4.276 3.873 4.670 0.010 6 0 "[ . 1 . 2]" 1
937 1 74 LYS HA 1 95 VAL MG1 . . 3.260 2.322 1.859 3.130 . 0 0 "[ . 1 . 2]" 1
938 1 74 LYS HA 1 95 VAL MG2 . . 3.800 2.707 1.580 3.581 . 0 0 "[ . 1 . 2]" 1
939 1 74 LYS QB 1 74 LYS QD . . 2.570 2.121 2.015 2.496 . 0 0 "[ . 1 . 2]" 1
940 1 74 LYS QB 1 74 LYS QE . . 3.320 3.128 1.889 3.443 0.123 1 0 "[ . 1 . 2]" 1
941 1 74 LYS QB 1 75 SER H . . 3.220 2.667 2.259 3.381 0.161 19 0 "[ . 1 . 2]" 1
942 1 74 LYS QB 1 95 VAL MG1 . . 3.810 2.961 2.364 3.529 . 0 0 "[ . 1 . 2]" 1
943 1 74 LYS QD 1 74 LYS HG3 . . 2.620 2.318 2.132 2.396 . 0 0 "[ . 1 . 2]" 1
944 1 74 LYS QD 1 95 VAL MG1 . . 3.800 3.724 2.526 3.884 0.084 10 0 "[ . 1 . 2]" 1
945 1 74 LYS QD 1 95 VAL MG2 . . 3.460 3.060 2.077 3.544 0.084 19 0 "[ . 1 . 2]" 1
946 1 74 LYS QE 1 74 LYS HG2 . . 3.850 2.392 2.107 3.283 . 0 0 "[ . 1 . 2]" 1
947 1 74 LYS QE 1 74 LYS HG3 . . 3.300 2.401 2.141 3.329 0.029 19 0 "[ . 1 . 2]" 1
948 1 74 LYS QE 1 95 VAL MG1 . . 4.390 4.172 3.681 4.441 0.051 3 0 "[ . 1 . 2]" 1
949 1 74 LYS QE 1 95 VAL MG2 . . 3.490 2.938 2.150 3.730 0.240 16 0 "[ . 1 . 2]" 1
950 1 74 LYS HG2 1 75 SER H . . 5.160 4.531 2.374 4.983 . 0 0 "[ . 1 . 2]" 1
951 1 74 LYS HG2 1 95 VAL MG2 . . 4.410 2.358 1.725 4.498 0.088 9 0 "[ . 1 . 2]" 1
952 1 74 LYS HG3 1 95 VAL MG1 . . 4.390 4.209 3.276 4.450 0.060 19 0 "[ . 1 . 2]" 1
953 1 74 LYS HG3 1 95 VAL MG2 . . 3.730 3.378 2.367 3.898 0.168 19 0 "[ . 1 . 2]" 1
954 1 75 SER H 1 75 SER HB2 . . 3.320 2.270 2.195 2.388 . 0 0 "[ . 1 . 2]" 1
955 1 75 SER H 1 75 SER HB3 . . 3.150 3.340 3.306 3.364 0.214 6 0 "[ . 1 . 2]" 1
956 1 75 SER H 1 76 PHE H . . 3.370 2.582 2.436 2.641 . 0 0 "[ . 1 . 2]" 1
957 1 75 SER H 1 76 PHE HB2 . . 5.050 4.961 4.628 5.090 0.040 8 0 "[ . 1 . 2]" 1
958 1 75 SER HA 1 75 SER HB3 . . 2.760 2.416 2.380 2.453 . 0 0 "[ . 1 . 2]" 1
959 1 75 SER HA 1 78 ASN QB . . 3.120 2.882 2.424 3.141 0.021 6 0 "[ . 1 . 2]" 1
960 1 75 SER HB2 1 76 PHE H . . 3.680 2.421 2.317 2.523 . 0 0 "[ . 1 . 2]" 1
961 1 75 SER HB3 1 76 PHE H . . 3.510 3.548 3.422 3.599 0.089 16 0 "[ . 1 . 2]" 1
962 1 76 PHE H 1 76 PHE HB2 . . 3.030 2.536 2.420 2.627 . 0 0 "[ . 1 . 2]" 1
963 1 76 PHE H 1 76 PHE HB3 . . 3.180 2.478 2.365 2.589 . 0 0 "[ . 1 . 2]" 1
964 1 76 PHE H 1 76 PHE QD . . 4.230 4.168 4.135 4.198 . 0 0 "[ . 1 . 2]" 1
965 1 76 PHE H 1 77 ILE HB . . 5.140 5.065 4.785 5.193 0.053 16 0 "[ . 1 . 2]" 1
966 1 76 PHE H 1 77 ILE MD . . 5.470 5.324 5.182 5.499 0.029 17 0 "[ . 1 . 2]" 1
967 1 76 PHE HA 1 76 PHE QD . . 3.320 2.703 2.500 2.919 . 0 0 "[ . 1 . 2]" 1
968 1 76 PHE HA 1 79 ASP H . . 4.640 3.536 3.326 3.641 . 0 0 "[ . 1 . 2]" 1
969 1 76 PHE HA 1 79 ASP HB2 . . 3.890 3.005 2.649 3.227 . 0 0 "[ . 1 . 2]" 1
970 1 76 PHE HB2 1 77 ILE H . . 3.810 3.848 3.762 3.914 0.104 19 0 "[ . 1 . 2]" 1
971 1 76 PHE HB3 1 77 ILE H . . 4.180 2.481 2.363 2.585 . 0 0 "[ . 1 . 2]" 1
972 1 76 PHE QD 1 77 ILE H . . 4.440 3.267 3.033 3.554 . 0 0 "[ . 1 . 2]" 1
973 1 76 PHE QD 1 77 ILE HA . . 4.450 3.279 2.942 3.569 . 0 0 "[ . 1 . 2]" 1
974 1 76 PHE QD 1 77 ILE MD . . 3.430 2.137 1.993 2.290 . 0 0 "[ . 1 . 2]" 1
975 1 76 PHE QD 1 77 ILE HG12 . . 4.400 2.856 2.509 3.280 . 0 0 "[ . 1 . 2]" 1
976 1 76 PHE HE2 1 77 ILE MD . . 3.960 2.907 2.515 3.378 . 0 0 "[ . 1 . 2]" 1
977 1 76 PHE HE2 1 80 LEU HB2 . . 5.380 3.772 3.338 4.194 . 0 0 "[ . 1 . 2]" 1
978 1 76 PHE HE2 1 80 LEU MD2 . . 3.750 2.924 2.445 3.716 . 0 0 "[ . 1 . 2]" 1
979 1 76 PHE HZ 1 80 LEU MD2 . . 4.150 3.096 2.410 3.876 . 0 0 "[ . 1 . 2]" 1
980 1 77 ILE H 1 77 ILE HB . . 3.100 2.500 2.379 2.598 . 0 0 "[ . 1 . 2]" 1
981 1 77 ILE H 1 77 ILE MD . . 3.650 3.271 3.143 3.441 . 0 0 "[ . 1 . 2]" 1
982 1 77 ILE H 1 77 ILE HG12 . . 3.630 2.164 2.025 2.282 . 0 0 "[ . 1 . 2]" 1
983 1 77 ILE H 1 77 ILE HG13 . . 4.050 3.606 3.483 3.709 . 0 0 "[ . 1 . 2]" 1
984 1 77 ILE H 1 77 ILE MG . . 4.180 3.741 3.675 3.796 . 0 0 "[ . 1 . 2]" 1
985 1 77 ILE H 1 79 ASP H . . 4.260 4.234 4.117 4.286 0.026 20 0 "[ . 1 . 2]" 1
986 1 77 ILE H 1 80 LEU H . . 5.120 4.557 4.483 4.637 . 0 0 "[ . 1 . 2]" 1
987 1 77 ILE H 1 95 VAL MG1 . . 4.490 4.294 3.743 4.910 0.420 16 0 "[ . 1 . 2]" 1
988 1 77 ILE HA 1 77 ILE MD . . 2.950 2.065 1.982 2.204 . 0 0 "[ . 1 . 2]" 1
989 1 77 ILE HA 1 77 ILE MG . . 3.350 2.424 2.267 2.504 . 0 0 "[ . 1 . 2]" 1
990 1 77 ILE HA 1 80 LEU H . . 3.860 3.147 2.970 3.261 . 0 0 "[ . 1 . 2]" 1
991 1 77 ILE HA 1 80 LEU HB2 . . 3.680 2.393 2.209 2.578 . 0 0 "[ . 1 . 2]" 1
992 1 77 ILE HA 1 80 LEU HB3 . . 3.250 2.101 1.999 2.236 . 0 0 "[ . 1 . 2]" 1
993 1 77 ILE HA 1 80 LEU MD1 . . 4.010 3.578 3.235 3.924 . 0 0 "[ . 1 . 2]" 1
994 1 77 ILE HA 1 80 LEU MD2 . . 4.150 3.985 3.769 4.233 0.083 13 0 "[ . 1 . 2]" 1
995 1 77 ILE HA 1 81 CYS H . . 4.450 3.803 3.673 3.984 . 0 0 "[ . 1 . 2]" 1
996 1 77 ILE HB 1 77 ILE MD . . 3.620 3.249 3.209 3.260 . 0 0 "[ . 1 . 2]" 1
997 1 77 ILE HB 1 78 ASN H . . 3.670 2.843 2.689 2.956 . 0 0 "[ . 1 . 2]" 1
998 1 77 ILE HB 1 79 ASP H . . 5.260 5.234 5.083 5.279 0.019 20 0 "[ . 1 . 2]" 1
999 1 77 ILE HB 1 95 VAL HA . . 4.900 3.975 3.259 4.369 . 0 0 "[ . 1 . 2]" 1
1000 1 77 ILE HB 1 95 VAL MG1 . . 3.610 2.612 1.942 3.578 . 0 0 "[ . 1 . 2]" 1
1001 1 77 ILE MD 1 77 ILE MG . . 3.190 1.923 1.763 2.011 . 0 0 "[ . 1 . 2]" 1
1002 1 77 ILE MD 1 80 LEU H . . 4.920 4.619 4.435 4.836 . 0 0 "[ . 1 . 2]" 1
1003 1 77 ILE MD 1 94 LEU H . . 5.500 5.214 4.928 5.514 0.014 13 0 "[ . 1 . 2]" 1
1004 1 77 ILE MD 1 94 LEU HB2 . . 4.030 3.464 3.139 3.954 . 0 0 "[ . 1 . 2]" 1
1005 1 77 ILE MD 1 94 LEU HB3 . . 3.780 2.225 1.946 2.575 . 0 0 "[ . 1 . 2]" 1
1006 1 77 ILE MD 1 94 LEU HG . . 3.440 3.302 2.060 3.534 0.094 17 0 "[ . 1 . 2]" 1
1007 1 77 ILE MD 1 95 VAL HA . . 4.760 3.659 3.113 4.252 . 0 0 "[ . 1 . 2]" 1
1008 1 77 ILE MD 1 95 VAL MG1 . . 4.470 4.256 3.759 4.759 0.289 16 0 "[ . 1 . 2]" 1
1009 1 77 ILE HG13 1 77 ILE MG . . 3.280 2.363 2.232 2.418 . 0 0 "[ . 1 . 2]" 1
1010 1 77 ILE HG13 1 95 VAL HA . . 4.060 2.340 1.773 2.690 . 0 0 "[ . 1 . 2]" 1
1011 1 77 ILE HG13 1 95 VAL MG1 . . 4.080 3.110 2.394 3.780 . 0 0 "[ . 1 . 2]" 1
1012 1 77 ILE MG 1 78 ASN H . . 3.600 3.554 3.386 3.646 0.046 16 0 "[ . 1 . 2]" 1
1013 1 77 ILE MG 1 78 ASN HA . . 4.550 3.600 3.343 3.894 . 0 0 "[ . 1 . 2]" 1
1014 1 77 ILE MG 1 80 LEU HB3 . . 4.140 3.099 2.758 3.284 . 0 0 "[ . 1 . 2]" 1
1015 1 77 ILE MG 1 80 LEU MD1 . . 3.770 2.951 2.507 3.307 . 0 0 "[ . 1 . 2]" 1
1016 1 77 ILE MG 1 81 CYS H . . 4.660 3.682 3.450 3.929 . 0 0 "[ . 1 . 2]" 1
1017 1 77 ILE MG 1 91 GLU H . . 5.500 4.616 4.167 5.439 . 0 0 "[ . 1 . 2]" 1
1018 1 77 ILE MG 1 91 GLU HA . . 3.360 2.497 1.974 3.259 . 0 0 "[ . 1 . 2]" 1
1019 1 77 ILE MG 1 91 GLU QB . . 4.220 2.512 1.874 3.850 . 0 0 "[ . 1 . 2]" 1
1020 1 77 ILE MG 1 94 LEU H . . 4.630 3.734 3.413 4.038 . 0 0 "[ . 1 . 2]" 1
1021 1 77 ILE MG 1 94 LEU HB2 . . 3.110 2.077 1.810 3.186 0.076 11 0 "[ . 1 . 2]" 1
1022 1 77 ILE MG 1 94 LEU HB3 . . 3.530 2.229 2.008 2.512 . 0 0 "[ . 1 . 2]" 1
1023 1 77 ILE MG 1 94 LEU MD1 . . 3.520 3.532 3.291 3.675 0.155 16 0 "[ . 1 . 2]" 1
1024 1 77 ILE MG 1 95 VAL HA . . 4.820 3.790 3.205 4.029 . 0 0 "[ . 1 . 2]" 1
1025 1 77 ILE MG 1 95 VAL MG1 . . 3.510 2.836 2.257 3.581 0.071 16 0 "[ . 1 . 2]" 1
1026 1 78 ASN H 1 78 ASN QB . . 2.880 2.284 2.200 2.515 . 0 0 "[ . 1 . 2]" 1
1027 1 78 ASN H 1 79 ASP H . . 3.680 2.685 2.552 2.789 . 0 0 "[ . 1 . 2]" 1
1028 1 78 ASN HA 1 78 ASN QB . . 2.760 2.373 2.298 2.455 . 0 0 "[ . 1 . 2]" 1
1029 1 78 ASN HA 1 78 ASN HD21 . . 4.830 3.147 1.872 4.493 . 0 0 "[ . 1 . 2]" 1
1030 1 78 ASN HA 1 78 ASN HD22 . . 4.620 4.061 3.439 4.687 0.067 4 0 "[ . 1 . 2]" 1
1031 1 78 ASN HA 1 80 LEU H . . 5.140 4.498 4.267 4.646 . 0 0 "[ . 1 . 2]" 1
1032 1 78 ASN HA 1 81 CYS H . . 4.780 3.856 3.470 4.319 . 0 0 "[ . 1 . 2]" 1
1033 1 78 ASN HA 1 81 CYS HB2 . . 4.890 4.197 3.172 5.009 0.119 18 0 "[ . 1 . 2]" 1
1034 1 78 ASN QB 1 79 ASP H . . 3.050 2.557 2.168 2.808 . 0 0 "[ . 1 . 2]" 1
1035 1 79 ASP H 1 79 ASP HB2 . . 3.470 2.445 2.298 2.582 . 0 0 "[ . 1 . 2]" 1
1036 1 79 ASP H 1 79 ASP HB3 . . 3.580 3.605 3.570 3.640 0.060 16 0 "[ . 1 . 2]" 1
1037 1 79 ASP H 1 80 LEU H . . 3.400 2.472 2.386 2.580 . 0 0 "[ . 1 . 2]" 1
1038 1 79 ASP H 1 80 LEU HB2 . . 4.850 4.485 4.353 4.636 . 0 0 "[ . 1 . 2]" 1
1039 1 79 ASP H 1 81 CYS H . . 4.750 4.334 4.198 4.515 . 0 0 "[ . 1 . 2]" 1
1040 1 79 ASP H 1 82 PHE H . . 4.960 4.754 4.605 4.898 . 0 0 "[ . 1 . 2]" 1
1041 1 79 ASP HA 1 81 CYS H . . 5.190 4.528 4.349 4.621 . 0 0 "[ . 1 . 2]" 1
1042 1 79 ASP HA 1 82 PHE H . . 3.940 3.337 3.170 3.515 . 0 0 "[ . 1 . 2]" 1
1043 1 79 ASP HA 1 82 PHE HB2 . . 3.630 3.151 2.923 3.301 . 0 0 "[ . 1 . 2]" 1
1044 1 79 ASP HA 1 82 PHE HB3 . . 3.500 2.463 2.229 2.700 . 0 0 "[ . 1 . 2]" 1
1045 1 79 ASP HA 1 83 GLU H . . 3.980 3.623 3.329 3.932 . 0 0 "[ . 1 . 2]" 1
1046 1 79 ASP HA 1 83 GLU HG2 . . 4.460 4.066 3.094 4.476 0.016 13 0 "[ . 1 . 2]" 1
1047 1 79 ASP HB2 1 80 LEU H . . 3.880 2.658 2.478 2.873 . 0 0 "[ . 1 . 2]" 1
1048 1 79 ASP HB3 1 80 LEU H . . 4.270 3.476 3.284 3.613 . 0 0 "[ . 1 . 2]" 1
1049 1 79 ASP HB3 1 82 PHE HB2 . . 5.390 5.430 5.394 5.456 0.066 13 0 "[ . 1 . 2]" 1
1050 1 80 LEU H 1 80 LEU HB2 . . 3.340 2.275 2.230 2.350 . 0 0 "[ . 1 . 2]" 1
1051 1 80 LEU H 1 80 LEU HB3 . . 3.400 2.341 2.274 2.452 . 0 0 "[ . 1 . 2]" 1
1052 1 80 LEU H 1 80 LEU MD1 . . 5.410 4.204 4.111 4.267 . 0 0 "[ . 1 . 2]" 1
1053 1 80 LEU H 1 80 LEU MD2 . . 4.320 3.996 3.935 4.083 . 0 0 "[ . 1 . 2]" 1
1054 1 80 LEU H 1 81 CYS H . . 3.670 2.894 2.809 2.932 . 0 0 "[ . 1 . 2]" 1
1055 1 80 LEU H 1 82 PHE H . . 5.150 4.024 3.895 4.178 . 0 0 "[ . 1 . 2]" 1
1056 1 80 LEU HA 1 80 LEU HB2 . . 3.010 2.474 2.435 2.525 . 0 0 "[ . 1 . 2]" 1
1057 1 80 LEU HA 1 80 LEU MD1 . . 4.140 3.257 3.084 3.452 . 0 0 "[ . 1 . 2]" 1
1058 1 80 LEU HA 1 80 LEU MD2 . . 3.600 2.283 2.114 2.371 . 0 0 "[ . 1 . 2]" 1
1059 1 80 LEU HA 1 84 LEU H . . 4.850 4.120 3.695 4.480 . 0 0 "[ . 1 . 2]" 1
1060 1 80 LEU HA 1 84 LEU MD1 . . 4.170 3.490 3.083 4.033 . 0 0 "[ . 1 . 2]" 1
1061 1 80 LEU HA 1 84 LEU HG . . 3.770 3.241 2.975 3.477 . 0 0 "[ . 1 . 2]" 1
1062 1 80 LEU HB2 1 80 LEU MD2 . . 2.940 2.363 2.227 2.532 . 0 0 "[ . 1 . 2]" 1
1063 1 80 LEU HB2 1 81 CYS H . . 3.820 3.575 3.537 3.623 . 0 0 "[ . 1 . 2]" 1
1064 1 80 LEU HB3 1 80 LEU MD1 . . 3.530 2.412 2.290 2.524 . 0 0 "[ . 1 . 2]" 1
1065 1 80 LEU HB3 1 80 LEU MD2 . . 3.640 3.114 3.063 3.129 . 0 0 "[ . 1 . 2]" 1
1066 1 80 LEU HB3 1 81 CYS H . . 3.500 2.115 2.044 2.193 . 0 0 "[ . 1 . 2]" 1
1067 1 80 LEU MD1 1 81 CYS H . . 4.570 2.851 2.661 3.038 . 0 0 "[ . 1 . 2]" 1
1068 1 80 LEU MD1 1 81 CYS HA . . 3.990 2.659 2.459 2.834 . 0 0 "[ . 1 . 2]" 1
1069 1 80 LEU MD1 1 84 LEU MD1 . . 4.290 2.370 2.003 2.939 . 0 0 "[ . 1 . 2]" 1
1070 1 80 LEU MD2 1 81 CYS H . . 4.480 4.215 3.983 4.391 . 0 0 "[ . 1 . 2]" 1
1071 1 80 LEU MD2 1 84 LEU MD1 . . 3.530 2.015 1.914 2.098 . 0 0 "[ . 1 . 2]" 1
1072 1 80 LEU MD2 1 84 LEU MD2 . . 4.510 3.703 3.357 3.894 . 0 0 "[ . 1 . 2]" 1
1073 1 81 CYS H 1 81 CYS HB2 . . 3.440 2.858 2.464 3.566 0.126 12 0 "[ . 1 . 2]" 1
1074 1 81 CYS H 1 81 CYS HB3 . . 3.880 3.078 2.386 3.630 . 0 0 "[ . 1 . 2]" 1
1075 1 81 CYS H 1 82 PHE H . . 3.550 2.605 2.541 2.674 . 0 0 "[ . 1 . 2]" 1
1076 1 81 CYS H 1 83 GLU H . . 5.460 4.397 4.212 4.529 . 0 0 "[ . 1 . 2]" 1
1077 1 81 CYS HA 1 84 LEU H . . 4.580 4.034 3.804 4.294 . 0 0 "[ . 1 . 2]" 1
1078 1 81 CYS HA 1 88 LEU MD1 . . 3.490 3.032 1.975 3.543 0.053 4 0 "[ . 1 . 2]" 1
1079 1 81 CYS HB2 1 82 PHE H . . 3.990 3.289 2.540 4.014 0.024 17 0 "[ . 1 . 2]" 1
1080 1 81 CYS HB2 1 88 LEU MD1 . . 4.360 3.600 2.101 4.434 0.074 20 0 "[ . 1 . 2]" 1
1081 1 81 CYS HB3 1 82 PHE H . . 3.970 3.688 2.811 4.033 0.063 6 0 "[ . 1 . 2]" 1
1082 1 81 CYS HB3 1 88 LEU MD1 . . 3.820 3.085 2.084 3.831 0.011 11 0 "[ . 1 . 2]" 1
1083 1 81 CYS HB3 1 88 LEU MD2 . . 4.830 4.422 2.520 4.909 0.079 3 0 "[ . 1 . 2]" 1
1084 1 82 PHE H 1 82 PHE HB2 . . 2.900 2.467 2.334 2.627 . 0 0 "[ . 1 . 2]" 1
1085 1 82 PHE H 1 82 PHE HB3 . . 3.160 2.539 2.399 2.727 . 0 0 "[ . 1 . 2]" 1
1086 1 82 PHE H 1 82 PHE QD . . 4.550 4.166 4.113 4.195 . 0 0 "[ . 1 . 2]" 1
1087 1 82 PHE H 1 83 GLU H . . 3.570 2.607 2.489 2.761 . 0 0 "[ . 1 . 2]" 1
1088 1 82 PHE H 1 83 GLU QB . . 5.150 4.736 4.390 5.098 . 0 0 "[ . 1 . 2]" 1
1089 1 82 PHE H 1 84 LEU H . . 4.290 4.024 3.864 4.172 . 0 0 "[ . 1 . 2]" 1
1090 1 82 PHE HA 1 82 PHE HB2 . . 2.960 2.535 2.463 2.628 . 0 0 "[ . 1 . 2]" 1
1091 1 82 PHE HA 1 82 PHE QD . . 3.360 2.729 2.447 3.016 . 0 0 "[ . 1 . 2]" 1
1092 1 82 PHE HB2 1 83 GLU H . . 3.700 3.667 3.493 3.744 0.044 10 0 "[ . 1 . 2]" 1
1093 1 82 PHE HB3 1 83 GLU H . . 3.530 2.343 2.179 2.559 . 0 0 "[ . 1 . 2]" 1
1094 1 82 PHE QD 1 83 GLU HG2 . . 4.730 2.419 2.007 3.011 . 0 0 "[ . 1 . 2]" 1
1095 1 82 PHE QD 1 83 GLU HG3 . . 4.360 3.437 2.689 4.385 0.025 18 0 "[ . 1 . 2]" 1
1096 1 83 GLU H 1 83 GLU QB . . 3.670 2.488 2.198 2.680 . 0 0 "[ . 1 . 2]" 1
1097 1 83 GLU H 1 83 GLU HG2 . . 3.780 2.918 2.452 3.364 . 0 0 "[ . 1 . 2]" 1
1098 1 83 GLU H 1 83 GLU HG3 . . 4.080 2.568 2.128 3.824 . 0 0 "[ . 1 . 2]" 1
1099 1 83 GLU H 1 84 LEU H . . 4.180 2.560 2.442 2.758 . 0 0 "[ . 1 . 2]" 1
1100 1 83 GLU HA 1 83 GLU HG2 . . 3.540 2.578 2.463 3.010 . 0 0 "[ . 1 . 2]" 1
1101 1 83 GLU HA 1 83 GLU HG3 . . 3.410 3.400 3.231 3.582 0.172 18 0 "[ . 1 . 2]" 1
1102 1 83 GLU HA 1 84 LEU MD2 . . 5.500 5.059 4.799 5.258 . 0 0 "[ . 1 . 2]" 1
1103 1 83 GLU QB 1 84 LEU H . . 4.640 2.897 2.611 3.144 . 0 0 "[ . 1 . 2]" 1
1104 1 83 GLU QB 1 84 LEU MD2 . . 3.640 3.455 3.055 3.648 0.008 16 0 "[ . 1 . 2]" 1
1105 1 84 LEU H 1 84 LEU HB2 . . 3.990 2.477 2.429 2.528 . 0 0 "[ . 1 . 2]" 1
1106 1 84 LEU H 1 84 LEU MD2 . . 4.300 3.522 3.291 3.693 . 0 0 "[ . 1 . 2]" 1
1107 1 84 LEU H 1 84 LEU HG . . 4.150 2.617 2.385 2.811 . 0 0 "[ . 1 . 2]" 1
1108 1 84 LEU H 1 85 ASP H . . 3.690 2.494 2.234 3.368 . 0 0 "[ . 1 . 2]" 1
1109 1 84 LEU HA 1 84 LEU MD1 . . 3.940 3.829 3.786 3.896 . 0 0 "[ . 1 . 2]" 1
1110 1 84 LEU HA 1 84 LEU MD2 . . 2.720 2.026 1.965 2.108 . 0 0 "[ . 1 . 2]" 1
1111 1 84 LEU HA 1 84 LEU HG . . 3.800 3.106 2.942 3.250 . 0 0 "[ . 1 . 2]" 1
1112 1 84 LEU HA 1 85 ASP QB . . 4.590 4.204 3.751 4.611 0.021 5 0 "[ . 1 . 2]" 1
1113 1 84 LEU HB2 1 84 LEU MD1 . . 3.300 2.336 2.267 2.383 . 0 0 "[ . 1 . 2]" 1
1114 1 84 LEU HB2 1 84 LEU MD2 . . 3.670 3.209 3.189 3.222 . 0 0 "[ . 1 . 2]" 1
1115 1 84 LEU HB2 1 85 ASP H . . 5.130 3.348 2.653 4.397 . 0 0 "[ . 1 . 2]" 1
1116 1 84 LEU HB3 1 84 LEU MD1 . . 3.050 2.356 2.313 2.405 . 0 0 "[ . 1 . 2]" 1
1117 1 84 LEU HB3 1 84 LEU MD2 . . 3.310 2.394 2.300 2.440 . 0 0 "[ . 1 . 2]" 1
1118 1 84 LEU HB3 1 85 ASP H . . 4.580 4.070 3.533 4.390 . 0 0 "[ . 1 . 2]" 1
1119 1 85 ASP H 1 85 ASP HA . . 2.810 2.442 2.207 2.886 0.076 5 0 "[ . 1 . 2]" 1
1120 1 88 LEU H 1 88 LEU QB . . 3.040 2.604 2.415 3.043 0.003 4 0 "[ . 1 . 2]" 1
1121 1 88 LEU H 1 88 LEU MD1 . . 3.870 2.890 1.674 3.943 0.073 9 0 "[ . 1 . 2]" 1
1122 1 88 LEU H 1 88 LEU MD2 . . 4.070 3.324 1.658 4.100 0.030 16 0 "[ . 1 . 2]" 1
1123 1 88 LEU H 1 88 LEU HG . . 3.290 2.671 1.786 3.463 0.173 5 0 "[ . 1 . 2]" 1
1124 1 88 LEU HA 1 88 LEU HG . . 3.930 3.355 2.580 4.105 0.175 5 0 "[ . 1 . 2]" 1
1125 1 91 GLU H 1 91 GLU QB . . 3.170 2.464 2.069 2.762 . 0 0 "[ . 1 . 2]" 1
1126 1 91 GLU H 1 91 GLU QG . . 4.540 3.220 1.847 3.944 . 0 0 "[ . 1 . 2]" 1
1127 1 91 GLU H 1 92 ILE H . . 4.290 2.636 2.321 3.225 . 0 0 "[ . 1 . 2]" 1
1128 1 91 GLU H 1 92 ILE HG12 . . 5.500 4.257 3.546 5.213 . 0 0 "[ . 1 . 2]" 1
1129 1 91 GLU HA 1 91 GLU QG . . 3.690 3.187 2.504 3.615 . 0 0 "[ . 1 . 2]" 1
1130 1 91 GLU HA 1 94 LEU H . . 4.420 3.564 3.274 4.067 . 0 0 "[ . 1 . 2]" 1
1131 1 91 GLU HA 1 94 LEU HG . . 3.720 3.762 3.450 4.081 0.361 8 0 "[ . 1 . 2]" 1
1132 1 91 GLU QB 1 92 ILE H . . 3.390 3.100 2.373 3.488 0.098 16 0 "[ . 1 . 2]" 1
1133 1 91 GLU QB 1 92 ILE HA . . 4.400 4.287 4.113 4.472 0.072 3 0 "[ . 1 . 2]" 1
1134 1 91 GLU QG 1 92 ILE HA . . 4.360 3.483 3.064 3.774 . 0 0 "[ . 1 . 2]" 1
1135 1 91 GLU QG 1 95 VAL H . . 5.500 4.769 4.051 5.299 . 0 0 "[ . 1 . 2]" 1
1136 1 91 GLU QG 1 95 VAL MG1 . . 3.710 3.164 2.185 3.804 0.094 18 0 "[ . 1 . 2]" 1
1137 1 92 ILE H 1 92 ILE HB . . 3.170 2.373 2.279 2.547 . 0 0 "[ . 1 . 2]" 1
1138 1 92 ILE H 1 92 ILE MD . . 3.820 3.299 2.958 3.587 . 0 0 "[ . 1 . 2]" 1
1139 1 92 ILE H 1 92 ILE HG12 . . 3.380 2.257 2.000 2.445 . 0 0 "[ . 1 . 2]" 1
1140 1 92 ILE H 1 92 ILE HG13 . . 3.890 3.657 3.522 3.777 . 0 0 "[ . 1 . 2]" 1
1141 1 92 ILE H 1 92 ILE MG . . 3.620 3.674 3.623 3.708 0.088 9 0 "[ . 1 . 2]" 1
1142 1 92 ILE H 1 93 PRO HD2 . . 3.440 2.431 2.274 2.659 . 0 0 "[ . 1 . 2]" 1
1143 1 92 ILE H 1 93 PRO HD3 . . 3.480 3.083 2.992 3.175 . 0 0 "[ . 1 . 2]" 1
1144 1 92 ILE H 1 93 PRO HG3 . . 5.020 5.095 5.044 5.147 0.127 16 0 "[ . 1 . 2]" 1
1145 1 92 ILE H 1 94 LEU H . . 5.120 4.078 3.670 4.368 . 0 0 "[ . 1 . 2]" 1
1146 1 92 ILE HA 1 92 ILE MD . . 3.220 2.054 1.967 2.129 . 0 0 "[ . 1 . 2]" 1
1147 1 92 ILE HA 1 92 ILE HG12 . . 3.490 3.093 2.898 3.277 . 0 0 "[ . 1 . 2]" 1
1148 1 92 ILE HA 1 92 ILE MG . . 2.960 2.481 2.348 2.589 . 0 0 "[ . 1 . 2]" 1
1149 1 92 ILE HA 1 95 VAL HB . . 3.300 3.678 3.412 3.762 0.462 8 0 "[ . 1 . 2]" 1
1150 1 92 ILE HA 1 95 VAL MG1 . . 3.420 1.851 1.692 2.072 . 0 0 "[ . 1 . 2]" 1
1151 1 92 ILE HB 1 92 ILE MD . . 3.600 3.233 3.218 3.245 . 0 0 "[ . 1 . 2]" 1
1152 1 92 ILE HB 1 93 PRO HD2 . . 3.070 2.936 2.724 3.088 0.018 7 0 "[ . 1 . 2]" 1
1153 1 92 ILE HB 1 93 PRO HD3 . . 3.000 2.007 1.831 2.154 . 0 0 "[ . 1 . 2]" 1
1154 1 92 ILE MD 1 93 PRO HD3 . . 4.740 4.738 4.619 4.777 0.037 4 0 "[ . 1 . 2]" 1
1155 1 92 ILE MD 1 95 VAL HB . . 4.990 3.965 3.654 4.260 . 0 0 "[ . 1 . 2]" 1
1156 1 92 ILE HG12 1 92 ILE MG . . 3.230 3.186 3.165 3.202 . 0 0 "[ . 1 . 2]" 1
1157 1 92 ILE HG13 1 92 ILE MG . . 3.120 2.313 2.256 2.392 . 0 0 "[ . 1 . 2]" 1
1158 1 92 ILE MG 1 93 PRO HA . . 4.070 3.607 3.380 3.820 . 0 0 "[ . 1 . 2]" 1
1159 1 92 ILE MG 1 93 PRO HD2 . . 3.850 3.899 3.812 3.953 0.103 13 0 "[ . 1 . 2]" 1
1160 1 92 ILE MG 1 93 PRO HD3 . . 3.440 2.789 2.641 2.887 . 0 0 "[ . 1 . 2]" 1
1161 1 92 ILE MG 1 93 PRO HG3 . . 4.100 4.053 3.794 4.197 0.097 19 0 "[ . 1 . 2]" 1
1162 1 92 ILE MG 1 94 LEU H . . 5.150 4.814 4.624 5.032 . 0 0 "[ . 1 . 2]" 1
1163 1 92 ILE MG 1 95 VAL H . . 5.500 4.289 4.098 4.527 . 0 0 "[ . 1 . 2]" 1
1164 1 92 ILE MG 1 96 SER H . . 4.800 3.846 3.382 4.177 . 0 0 "[ . 1 . 2]" 1
1165 1 93 PRO HA 1 96 SER H . . 4.160 3.671 3.303 3.957 . 0 0 "[ . 1 . 2]" 1
1166 1 93 PRO HA 1 96 SER HB3 . . 3.300 2.997 2.319 3.417 0.117 13 0 "[ . 1 . 2]" 1
1167 1 93 PRO HB2 1 94 LEU H . . 3.480 2.516 2.277 2.926 . 0 0 "[ . 1 . 2]" 1
1168 1 93 PRO HD2 1 94 LEU H . . 4.140 3.049 2.754 3.273 . 0 0 "[ . 1 . 2]" 1
1169 1 93 PRO HD3 1 94 LEU H . . 4.640 4.193 3.975 4.356 . 0 0 "[ . 1 . 2]" 1
1170 1 93 PRO HG2 1 94 LEU H . . 4.660 4.122 3.614 4.487 . 0 0 "[ . 1 . 2]" 1
1171 1 94 LEU H 1 94 LEU HB2 . . 3.410 2.252 2.159 2.413 . 0 0 "[ . 1 . 2]" 1
1172 1 94 LEU H 1 94 LEU HB3 . . 4.000 3.506 2.901 3.629 . 0 0 "[ . 1 . 2]" 1
1173 1 94 LEU H 1 94 LEU MD1 . . 4.070 3.751 2.226 4.143 0.073 11 0 "[ . 1 . 2]" 1
1174 1 94 LEU H 1 94 LEU HG . . 4.730 4.063 3.805 4.556 . 0 0 "[ . 1 . 2]" 1
1175 1 94 LEU H 1 95 VAL H . . 3.890 2.618 2.423 2.810 . 0 0 "[ . 1 . 2]" 1
1176 1 94 LEU H 1 95 VAL MG1 . . 4.490 3.988 3.611 4.336 . 0 0 "[ . 1 . 2]" 1
1177 1 94 LEU H 1 96 SER H . . 4.250 3.990 3.809 4.211 . 0 0 "[ . 1 . 2]" 1
1178 1 94 LEU HA 1 94 LEU MD1 . . 2.890 2.168 1.998 2.726 . 0 0 "[ . 1 . 2]" 1
1179 1 94 LEU HA 1 97 ILE H . . 4.290 3.856 3.473 4.280 . 0 0 "[ . 1 . 2]" 1
1180 1 94 LEU HA 1 97 ILE HB . . 3.810 3.063 2.621 3.605 . 0 0 "[ . 1 . 2]" 1
1181 1 94 LEU HA 1 97 ILE MD . . 4.160 3.527 2.419 4.203 0.043 3 0 "[ . 1 . 2]" 1
1182 1 94 LEU HA 1 97 ILE MG . . 4.230 3.836 2.574 4.318 0.088 4 0 "[ . 1 . 2]" 1
1183 1 94 LEU HB2 1 95 VAL H . . 4.990 2.843 2.424 3.507 . 0 0 "[ . 1 . 2]" 1
1184 1 94 LEU HB3 1 94 LEU MD1 . . 3.270 2.455 2.275 3.224 . 0 0 "[ . 1 . 2]" 1
1185 1 94 LEU HB3 1 95 VAL H . . 4.640 3.351 2.836 3.697 . 0 0 "[ . 1 . 2]" 1
1186 1 95 VAL H 1 95 VAL HB . . 3.270 3.117 2.465 3.450 0.180 1 0 "[ . 1 . 2]" 1
1187 1 95 VAL H 1 95 VAL MG1 . . 3.400 2.154 1.931 2.562 . 0 0 "[ . 1 . 2]" 1
1188 1 95 VAL H 1 95 VAL MG2 . . 3.820 3.296 2.713 3.846 0.026 19 0 "[ . 1 . 2]" 1
1189 1 95 VAL H 1 96 SER H . . 3.600 2.374 2.223 2.570 . 0 0 "[ . 1 . 2]" 1
1190 1 95 VAL H 1 96 SER HB2 . . 4.480 4.427 3.991 4.534 0.054 8 0 "[ . 1 . 2]" 1
1191 1 95 VAL H 1 97 ILE H . . 5.180 4.013 3.667 4.146 . 0 0 "[ . 1 . 2]" 1
1192 1 95 VAL HA 1 95 VAL MG1 . . 3.180 2.850 2.507 3.227 0.047 18 0 "[ . 1 . 2]" 1
1193 1 95 VAL HA 1 95 VAL MG2 . . 3.280 2.845 2.126 3.225 . 0 0 "[ . 1 . 2]" 1
1194 1 95 VAL HB 1 96 SER H . . 3.680 3.868 3.806 3.916 0.236 12 0 "[ . 1 . 2]" 1
1195 1 95 VAL MG1 1 96 SER H . . 4.290 3.079 2.246 3.724 . 0 0 "[ . 1 . 2]" 1
1196 1 95 VAL MG2 1 96 SER H . . 4.260 2.933 2.282 3.807 . 0 0 "[ . 1 . 2]" 1
1197 1 95 VAL MG2 1 96 SER HA . . 3.660 3.431 3.084 3.832 0.172 16 0 "[ . 1 . 2]" 1
1198 1 96 SER H 1 96 SER HB2 . . 3.280 2.371 2.100 2.582 . 0 0 "[ . 1 . 2]" 1
1199 1 96 SER H 1 96 SER HB3 . . 3.330 2.776 2.457 3.478 0.148 15 0 "[ . 1 . 2]" 1
1200 1 96 SER H 1 97 ILE H . . 3.760 2.703 2.406 2.907 . 0 0 "[ . 1 . 2]" 1
1201 1 96 SER H 1 97 ILE HB . . 5.100 4.580 4.245 4.898 . 0 0 "[ . 1 . 2]" 1
1202 1 96 SER HA 1 96 SER HB2 . . 2.820 2.571 2.401 2.937 0.117 6 0 "[ . 1 . 2]" 1
1203 1 96 SER HA 1 98 TRP H . . 5.240 3.751 3.158 4.449 . 0 0 "[ . 1 . 2]" 1
1204 1 96 SER HB2 1 97 ILE H . . 4.190 4.058 3.493 4.271 0.081 12 0 "[ . 1 . 2]" 1
1205 1 97 ILE H 1 97 ILE HB . . 3.290 2.370 2.071 2.788 . 0 0 "[ . 1 . 2]" 1
1206 1 97 ILE H 1 97 ILE HG12 . . 4.550 4.528 3.905 4.585 0.035 8 0 "[ . 1 . 2]" 1
1207 1 97 ILE H 1 97 ILE HG13 . . 4.910 4.280 2.766 4.586 . 0 0 "[ . 1 . 2]" 1
1208 1 97 ILE H 1 97 ILE MG . . 3.620 2.423 2.085 3.515 . 0 0 "[ . 1 . 2]" 1
1209 1 97 ILE H 1 98 TRP H . . 3.950 2.679 2.425 3.056 . 0 0 "[ . 1 . 2]" 1
1210 1 97 ILE HA 1 97 ILE HG12 . . 3.660 3.122 2.392 3.664 0.004 13 0 "[ . 1 . 2]" 1
1211 1 97 ILE HA 1 97 ILE HG13 . . 3.890 2.420 2.181 2.796 . 0 0 "[ . 1 . 2]" 1
1212 1 97 ILE HB 1 98 TRP H . . 4.820 3.921 2.864 4.209 . 0 0 "[ . 1 . 2]" 1
1213 1 97 ILE HG12 1 98 TRP H . . 5.500 4.551 3.746 5.345 . 0 0 "[ . 1 . 2]" 1
1214 1 97 ILE HG13 1 97 ILE MG . . 3.660 3.066 2.447 3.244 . 0 0 "[ . 1 . 2]" 1
1215 1 97 ILE MG 1 98 TRP H . . 4.060 2.425 1.957 2.853 . 0 0 "[ . 1 . 2]" 1
1216 1 97 ILE MG 1 98 TRP HD1 . . 4.670 3.952 2.481 4.792 0.122 20 0 "[ . 1 . 2]" 1
1217 1 98 TRP H 1 98 TRP HB2 . . 4.000 3.028 2.207 4.040 0.040 14 0 "[ . 1 . 2]" 1
1218 1 98 TRP H 1 98 TRP HB3 . . 3.680 3.254 2.400 3.843 0.163 13 0 "[ . 1 . 2]" 1
1219 1 98 TRP H 1 98 TRP HE3 . . 5.500 4.931 4.191 5.559 0.059 20 0 "[ . 1 . 2]" 1
1220 1 98 TRP H 1 99 GLY H . . 4.160 3.273 1.701 4.276 0.116 9 0 "[ . 1 . 2]" 1
1221 1 99 GLY HA2 1 100 PRO QD . . 3.030 2.383 1.958 3.118 0.088 19 0 "[ . 1 . 2]" 1
1222 1 100 PRO HA 1 101 ARG H . . 2.700 2.399 2.090 2.805 0.105 12 0 "[ . 1 . 2]" 1
1223 1 100 PRO QB 1 101 ARG H . . 4.080 3.604 2.772 3.969 . 0 0 "[ . 1 . 2]" 1
1224 1 101 ARG H 1 101 ARG HB2 . . 4.120 3.340 2.352 4.031 . 0 0 "[ . 1 . 2]" 1
1225 1 101 ARG H 1 101 ARG HB3 . . 3.570 3.040 2.382 3.769 0.199 4 0 "[ . 1 . 2]" 1
1226 1 101 ARG H 1 101 ARG QD . . 5.000 4.343 2.618 5.042 0.042 5 0 "[ . 1 . 2]" 1
1227 1 101 ARG H 1 101 ARG QG . . 3.810 3.332 2.047 3.960 0.150 9 0 "[ . 1 . 2]" 1
1228 1 101 ARG HB2 1 101 ARG QD . . 3.740 2.466 2.317 3.539 . 0 0 "[ . 1 . 2]" 1
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