NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
602208 |
2n1v   |
25576 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n1v
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 2161
_Distance_constraint_stats_list.Viol_count 5308
_Distance_constraint_stats_list.Viol_total 6810.999
_Distance_constraint_stats_list.Viol_max 0.558
_Distance_constraint_stats_list.Viol_rms 0.0301
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0642
_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 15 MET 2.383 0.242 19 0 "[ . 1 . 2]"
1 16 SER 5.475 0.321 9 0 "[ . 1 . 2]"
1 17 ASP 4.343 0.558 12 1 "[ . 1 + . 2]"
1 18 GLN 9.616 0.558 12 1 "[ . 1 + . 2]"
1 19 GLU 3.161 0.374 11 0 "[ . 1 . 2]"
1 20 ALA 3.351 0.291 10 0 "[ . 1 . 2]"
1 21 LYS 4.834 0.201 16 0 "[ . 1 . 2]"
1 22 PRO 3.014 0.214 7 0 "[ . 1 . 2]"
1 23 SER 1.490 0.214 7 0 "[ . 1 . 2]"
1 24 THR 0.998 0.162 18 0 "[ . 1 . 2]"
1 25 GLU 1.501 0.359 16 0 "[ . 1 . 2]"
1 26 ASP 2.569 0.359 16 0 "[ . 1 . 2]"
1 27 LEU 5.576 0.404 15 0 "[ . 1 . 2]"
1 28 GLY 6.488 0.404 15 0 "[ . 1 . 2]"
1 29 ASP 3.284 0.459 12 0 "[ . 1 . 2]"
1 30 LYS 4.565 0.459 12 0 "[ . 1 . 2]"
1 31 LYS 7.633 0.527 3 1 "[ + . 1 . 2]"
1 32 GLU 6.072 0.427 6 0 "[ . 1 . 2]"
1 33 GLY 2.011 0.211 6 0 "[ . 1 . 2]"
1 34 GLU 0.677 0.193 3 0 "[ . 1 . 2]"
1 35 TYR 5.341 0.285 14 0 "[ . 1 . 2]"
1 36 ILE 10.871 0.201 16 0 "[ . 1 . 2]"
1 37 LYS 9.485 0.201 16 0 "[ . 1 . 2]"
1 38 LEU 2.688 0.115 12 0 "[ . 1 . 2]"
1 39 LYS 12.805 0.198 1 0 "[ . 1 . 2]"
1 40 VAL 12.967 0.237 5 0 "[ . 1 . 2]"
1 41 ILE 3.560 0.155 7 0 "[ . 1 . 2]"
1 42 GLY 4.200 0.296 15 0 "[ . 1 . 2]"
1 43 GLN 12.049 0.250 9 0 "[ . 1 . 2]"
1 44 ASP 1.835 0.139 7 0 "[ . 1 . 2]"
1 45 SER 5.297 0.410 9 0 "[ . 1 . 2]"
1 46 SER 8.537 0.410 9 0 "[ . 1 . 2]"
1 47 GLU 6.677 0.237 5 0 "[ . 1 . 2]"
1 48 ILE 6.033 0.129 5 0 "[ . 1 . 2]"
1 49 HIS 9.272 0.129 16 0 "[ . 1 . 2]"
1 50 PHE 7.915 0.168 7 0 "[ . 1 . 2]"
1 51 LYS 2.279 0.201 11 0 "[ . 1 . 2]"
1 52 VAL 4.654 0.238 7 0 "[ . 1 . 2]"
1 53 LYS 14.040 0.513 11 1 "[ . 1+ . 2]"
1 54 MET 16.029 0.513 11 1 "[ . 1+ . 2]"
1 55 THR 3.360 0.447 20 0 "[ . 1 . 2]"
1 56 THR 4.483 0.178 11 0 "[ . 1 . 2]"
1 57 HIS 2.251 0.172 6 0 "[ . 1 . 2]"
1 58 LEU 6.913 0.218 9 0 "[ . 1 . 2]"
1 59 LYS 9.011 0.275 12 0 "[ . 1 . 2]"
1 60 LYS 4.992 0.377 18 0 "[ . 1 . 2]"
1 61 LEU 8.201 0.377 18 0 "[ . 1 . 2]"
1 62 LYS 15.475 0.457 1 0 "[ . 1 . 2]"
1 63 GLU 6.675 0.250 20 0 "[ . 1 . 2]"
1 64 SER 6.959 0.347 4 0 "[ . 1 . 2]"
1 65 TYR 9.048 0.132 1 0 "[ . 1 . 2]"
1 66 CYS 4.944 0.165 2 0 "[ . 1 . 2]"
1 67 GLN 7.844 0.278 2 0 "[ . 1 . 2]"
1 68 ARG 8.607 0.278 2 0 "[ . 1 . 2]"
1 69 GLN 7.293 0.246 14 0 "[ . 1 . 2]"
1 70 GLY 2.289 0.128 7 0 "[ . 1 . 2]"
1 71 VAL 4.283 0.154 1 0 "[ . 1 . 2]"
1 72 PRO 4.628 0.251 3 0 "[ . 1 . 2]"
1 73 MET 7.482 0.203 3 0 "[ . 1 . 2]"
1 74 ASN 3.849 0.251 3 0 "[ . 1 . 2]"
1 75 SER 3.059 0.239 6 0 "[ . 1 . 2]"
1 76 LEU 12.583 0.246 19 0 "[ . 1 . 2]"
1 77 ARG 5.737 0.289 6 0 "[ . 1 . 2]"
1 78 PHE 10.872 0.228 3 0 "[ . 1 . 2]"
1 79 LEU 21.307 0.258 9 0 "[ . 1 . 2]"
1 80 PHE 12.810 0.141 4 0 "[ . 1 . 2]"
1 81 GLU 9.851 0.193 9 0 "[ . 1 . 2]"
1 82 GLY 3.786 0.193 9 0 "[ . 1 . 2]"
1 83 GLN 14.668 0.258 9 0 "[ . 1 . 2]"
1 84 ARG 7.804 0.274 11 0 "[ . 1 . 2]"
1 85 ILE 9.091 0.221 2 0 "[ . 1 . 2]"
1 86 ALA 6.686 0.231 13 0 "[ . 1 . 2]"
1 87 ASP 1.568 0.145 7 0 "[ . 1 . 2]"
1 88 ASN 11.749 0.275 12 0 "[ . 1 . 2]"
1 89 HIS 12.585 0.457 1 0 "[ . 1 . 2]"
1 90 THR 14.494 0.231 13 0 "[ . 1 . 2]"
1 91 PRO 3.988 0.136 20 0 "[ . 1 . 2]"
1 92 LYS 12.052 0.346 1 0 "[ . 1 . 2]"
1 93 GLU 13.084 0.346 1 0 "[ . 1 . 2]"
1 94 LEU 19.819 0.274 11 0 "[ . 1 . 2]"
1 95 GLY 4.134 0.164 19 0 "[ . 1 . 2]"
1 96 MET 4.905 0.133 14 0 "[ . 1 . 2]"
1 97 GLU 2.556 0.175 10 0 "[ . 1 . 2]"
1 98 GLU 2.410 0.149 19 0 "[ . 1 . 2]"
1 99 GLU 6.732 0.189 13 0 "[ . 1 . 2]"
1 100 ASP 5.407 0.220 12 0 "[ . 1 . 2]"
1 101 VAL 9.652 0.220 12 0 "[ . 1 . 2]"
1 102 ILE 8.709 0.156 12 0 "[ . 1 . 2]"
1 103 GLU 2.911 0.150 12 0 "[ . 1 . 2]"
1 104 VAL 10.392 0.217 2 0 "[ . 1 . 2]"
1 105 TYR 7.287 0.289 6 0 "[ . 1 . 2]"
1 106 GLN 5.976 0.204 18 0 "[ . 1 . 2]"
1 107 GLU 2.077 0.095 2 0 "[ . 1 . 2]"
1 108 GLN 8.464 0.246 19 0 "[ . 1 . 2]"
1 109 THR 2.448 0.173 20 0 "[ . 1 . 2]"
1 110 GLY 0.407 0.170 20 0 "[ . 1 . 2]"
1 111 GLY 0.114 0.094 14 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 41 ILE H 1 104 VAL MG2 3.960 . 3.960 3.198 3.085 3.303 . 0 0 "[ . 1 . 2]" 1
2 1 78 PHE QD 1 104 VAL MG2 4.250 . 4.250 4.069 3.836 4.238 . 0 0 "[ . 1 . 2]" 1
3 1 104 VAL HA 1 104 VAL MG2 3.220 . 3.220 2.367 2.344 2.394 . 0 0 "[ . 1 . 2]" 1
4 1 78 PHE HB3 1 104 VAL MG2 4.240 . 4.240 2.753 2.553 2.920 . 0 0 "[ . 1 . 2]" 1
5 1 40 VAL MG1 1 104 VAL MG2 3.010 . 3.010 1.933 1.883 1.987 . 0 0 "[ . 1 . 2]" 1
6 1 104 VAL MG1 1 105 TYR H 3.390 . 3.390 2.501 2.456 2.564 . 0 0 "[ . 1 . 2]" 1
7 1 65 TYR QD 1 104 VAL MG1 4.660 . 4.660 4.131 4.014 4.305 . 0 0 "[ . 1 . 2]" 1
8 1 104 VAL HA 1 104 VAL MG1 3.160 . 3.160 2.420 2.400 2.446 . 0 0 "[ . 1 . 2]" 1
9 1 104 VAL MG1 1 106 GLN HA 4.590 . 4.590 4.315 4.254 4.409 . 0 0 "[ . 1 . 2]" 1
10 1 76 LEU QD 1 104 VAL MG1 2.910 . 2.910 2.008 1.872 2.096 . 0 0 "[ . 1 . 2]" 1
11 1 61 LEU MD2 1 65 TYR HE2 4.210 . 4.210 3.522 3.359 3.773 . 0 0 "[ . 1 . 2]" 1
12 1 61 LEU MD2 1 78 PHE HB3 5.280 . 5.280 5.126 4.897 5.330 0.050 3 0 "[ . 1 . 2]" 1
13 1 61 LEU MD2 1 102 ILE MD 3.250 . 3.250 2.301 2.069 2.503 . 0 0 "[ . 1 . 2]" 1
14 1 89 HIS HE1 1 94 LEU MD2 4.230 . 4.230 3.399 3.271 3.576 . 0 0 "[ . 1 . 2]" 1
15 1 94 LEU HA 1 94 LEU MD2 2.740 . 2.740 2.115 2.091 2.137 . 0 0 "[ . 1 . 2]" 1
16 1 93 GLU HA 1 94 LEU MD2 4.610 . 4.610 4.292 4.236 4.359 . 0 0 "[ . 1 . 2]" 1
17 1 58 LEU QB 1 94 LEU MD2 5.530 . 5.530 4.973 4.804 5.191 . 0 0 "[ . 1 . 2]" 1
18 1 90 THR MG 1 94 LEU MD2 4.890 . 4.890 4.963 4.924 4.998 0.108 6 0 "[ . 1 . 2]" 1
19 1 61 LEU HG 1 65 TYR H 5.010 . 5.010 5.002 4.906 5.089 0.079 3 0 "[ . 1 . 2]" 1
20 1 61 LEU H 1 61 LEU HG 4.530 . 4.530 4.437 4.384 4.477 . 0 0 "[ . 1 . 2]" 1
21 1 50 PHE HB3 1 61 LEU HG 4.820 . 4.820 4.661 4.314 4.842 0.022 16 0 "[ . 1 . 2]" 1
22 1 52 VAL MG1 1 61 LEU HG 3.320 . 3.320 3.071 2.917 3.194 . 0 0 "[ . 1 . 2]" 1
23 1 40 VAL H 1 40 VAL MG2 3.670 . 3.670 3.408 3.358 3.436 . 0 0 "[ . 1 . 2]" 1
24 1 40 VAL MG2 1 104 VAL H 5.410 . 5.410 4.809 4.644 4.966 . 0 0 "[ . 1 . 2]" 1
25 1 40 VAL MG2 1 102 ILE HA 4.460 . 4.460 4.344 4.247 4.420 . 0 0 "[ . 1 . 2]" 1
26 1 39 LYS QD 1 40 VAL MG2 4.730 . 4.730 4.683 4.529 4.891 0.161 6 0 "[ . 1 . 2]" 1
27 1 40 VAL MG2 1 102 ILE MD 3.570 . 3.570 2.061 2.000 2.135 . 0 0 "[ . 1 . 2]" 1
28 1 36 ILE MD 1 97 GLU H 4.020 . 4.020 3.804 3.466 4.051 0.031 14 0 "[ . 1 . 2]" 1
29 1 36 ILE MD 1 38 LEU HA 5.170 . 5.170 5.078 5.038 5.149 . 0 0 "[ . 1 . 2]" 1
30 1 36 ILE HA 1 36 ILE MD 4.260 . 4.260 4.187 4.180 4.196 . 0 0 "[ . 1 . 2]" 1
31 1 36 ILE MD 1 91 PRO QB 3.390 . 3.390 2.505 2.328 2.665 . 0 0 "[ . 1 . 2]" 1
32 1 36 ILE HB 1 36 ILE MD 3.190 . 3.190 2.460 2.444 2.477 . 0 0 "[ . 1 . 2]" 1
33 1 85 ILE H 1 94 LEU MD1 5.010 . 5.010 4.988 4.910 5.032 0.022 10 0 "[ . 1 . 2]" 1
34 1 94 LEU H 1 94 LEU MD1 3.970 . 3.970 4.004 3.969 4.034 0.064 4 0 "[ . 1 . 2]" 1
35 1 89 HIS HD2 1 94 LEU MD1 5.110 . 5.110 4.572 4.398 4.675 . 0 0 "[ . 1 . 2]" 1
36 1 89 HIS HA 1 94 LEU MD1 5.120 . 5.120 4.357 4.225 4.482 . 0 0 "[ . 1 . 2]" 1
37 1 83 GLN HB2 1 94 LEU MD1 4.880 . 4.880 4.871 4.802 4.917 0.037 2 0 "[ . 1 . 2]" 1
38 1 85 ILE QG 1 94 LEU MD1 3.990 . 3.990 3.609 3.533 3.643 . 0 0 "[ . 1 . 2]" 1
39 1 58 LEU HG 1 94 LEU MD1 3.320 . 3.320 3.009 2.724 3.208 . 0 0 "[ . 1 . 2]" 1
40 1 79 LEU MD2 1 80 PHE H 3.080 . 3.080 2.648 2.579 2.712 . 0 0 "[ . 1 . 2]" 1
41 1 79 LEU MD2 1 83 GLN HA 4.420 . 4.420 4.432 4.358 4.466 0.046 1 0 "[ . 1 . 2]" 1
42 1 79 LEU MD2 1 82 GLY HA3 3.760 . 3.760 3.611 3.505 3.697 . 0 0 "[ . 1 . 2]" 1
43 1 79 LEU HB3 1 79 LEU MD2 3.320 . 3.320 3.182 3.175 3.189 . 0 0 "[ . 1 . 2]" 1
44 1 79 LEU MD2 1 81 GLU HG2 5.200 . 5.200 5.228 5.168 5.257 0.057 15 0 "[ . 1 . 2]" 1
45 1 79 LEU MD2 1 102 ILE MG 4.150 . 4.150 4.194 4.160 4.240 0.090 12 0 "[ . 1 . 2]" 1
46 1 50 PHE HE2 1 61 LEU MD1 5.520 . 5.520 5.145 5.087 5.234 . 0 0 "[ . 1 . 2]" 1
47 1 52 VAL HB 1 61 LEU MD1 4.590 . 4.590 3.852 3.687 4.073 . 0 0 "[ . 1 . 2]" 1
48 1 58 LEU HG 1 61 LEU MD1 4.470 . 4.470 4.116 4.013 4.247 . 0 0 "[ . 1 . 2]" 1
49 1 40 VAL H 1 48 ILE MG 4.890 . 4.890 4.257 4.167 4.369 . 0 0 "[ . 1 . 2]" 1
50 1 48 ILE MG 1 50 PHE H 5.320 . 5.320 4.359 4.171 4.456 . 0 0 "[ . 1 . 2]" 1
51 1 48 ILE MG 1 65 TYR H 4.370 . 4.370 4.216 4.061 4.321 . 0 0 "[ . 1 . 2]" 1
52 1 48 ILE MG 1 49 HIS H 3.180 . 3.180 2.414 2.315 2.570 . 0 0 "[ . 1 . 2]" 1
53 1 48 ILE MG 1 65 TYR QD 3.970 . 3.970 3.879 3.773 3.985 0.015 6 0 "[ . 1 . 2]" 1
54 1 48 ILE MG 1 49 HIS HD2 4.690 . 4.690 4.532 4.405 4.641 . 0 0 "[ . 1 . 2]" 1
55 1 47 GLU HA 1 48 ILE MG 5.500 . 5.500 5.467 5.442 5.506 0.006 3 0 "[ . 1 . 2]" 1
56 1 48 ILE MG 1 65 TYR HA 4.380 . 4.380 1.964 1.865 2.054 . 0 0 "[ . 1 . 2]" 1
57 1 40 VAL HB 1 48 ILE MG 3.970 . 3.970 3.814 3.726 3.963 . 0 0 "[ . 1 . 2]" 1
58 1 80 PHE QD 1 102 ILE MD 4.950 . 4.950 4.742 4.596 4.955 0.005 12 0 "[ . 1 . 2]" 1
59 1 38 LEU HA 1 102 ILE MD 4.440 . 4.440 4.128 3.985 4.326 . 0 0 "[ . 1 . 2]" 1
60 1 102 ILE HA 1 102 ILE MD 3.960 . 3.960 3.576 3.542 3.829 . 0 0 "[ . 1 . 2]" 1
61 1 80 PHE HB2 1 102 ILE MD 4.900 . 4.900 4.953 4.827 5.006 0.106 19 0 "[ . 1 . 2]" 1
62 1 100 ASP HB3 1 102 ILE MD 4.780 . 4.780 4.055 3.917 4.655 . 0 0 "[ . 1 . 2]" 1
63 1 40 VAL HB 1 102 ILE MD 4.700 . 4.700 4.090 3.988 4.162 . 0 0 "[ . 1 . 2]" 1
64 1 38 LEU HB2 1 102 ILE MD 3.660 . 3.660 3.059 2.923 3.189 . 0 0 "[ . 1 . 2]" 1
65 1 102 ILE MD 1 104 VAL MG2 4.720 . 4.720 4.733 4.586 4.820 0.100 3 0 "[ . 1 . 2]" 1
66 1 75 SER H 1 76 LEU QD 4.760 . 4.760 3.897 3.744 4.033 . 0 0 "[ . 1 . 2]" 1
67 1 69 GLN HE21 1 76 LEU QD 4.430 . 4.430 2.931 2.784 3.070 . 0 0 "[ . 1 . 2]" 1
68 1 76 LEU QD 1 106 GLN HE21 5.060 . 5.060 3.967 3.775 4.142 . 0 0 "[ . 1 . 2]" 1
69 1 76 LEU QD 1 78 PHE HB2 5.150 . 5.150 4.888 4.659 5.192 0.042 8 0 "[ . 1 . 2]" 1
70 1 73 MET QB 1 76 LEU QD 3.650 . 3.650 3.462 3.311 3.689 0.039 3 0 "[ . 1 . 2]" 1
71 1 79 LEU MD1 1 103 GLU H 3.560 . 3.560 3.302 3.208 3.527 . 0 0 "[ . 1 . 2]" 1
72 1 79 LEU MD1 1 83 GLN H 4.830 . 4.830 5.030 4.985 5.088 0.258 9 0 "[ . 1 . 2]" 1
73 1 79 LEU MD1 1 105 TYR QD 3.210 . 3.210 2.017 1.891 2.139 . 0 0 "[ . 1 . 2]" 1
74 1 79 LEU MD1 1 105 TYR QE 3.300 . 3.300 1.953 1.854 2.071 . 0 0 "[ . 1 . 2]" 1
75 1 79 LEU HA 1 79 LEU MD1 3.650 . 3.650 3.461 3.448 3.491 . 0 0 "[ . 1 . 2]" 1
76 1 79 LEU MD1 1 84 ARG HA 4.750 . 4.750 4.614 4.487 4.773 0.023 18 0 "[ . 1 . 2]" 1
77 1 79 LEU HB2 1 79 LEU MD1 3.270 . 3.270 3.188 3.182 3.192 . 0 0 "[ . 1 . 2]" 1
78 1 79 LEU H 1 85 ILE MD 4.690 . 4.690 4.434 4.338 4.534 . 0 0 "[ . 1 . 2]" 1
79 1 85 ILE H 1 85 ILE MD 3.620 . 3.620 3.083 3.001 3.138 . 0 0 "[ . 1 . 2]" 1
80 1 84 ARG H 1 85 ILE MD 4.760 . 4.760 4.736 4.609 4.780 0.020 11 0 "[ . 1 . 2]" 1
81 1 85 ILE HA 1 85 ILE MD 4.060 . 4.060 2.157 2.123 2.201 . 0 0 "[ . 1 . 2]" 1
82 1 80 PHE HB2 1 85 ILE MD 3.350 . 3.350 2.295 2.159 2.438 . 0 0 "[ . 1 . 2]" 1
83 1 85 ILE HB 1 85 ILE MD 3.320 . 3.320 3.246 3.239 3.252 . 0 0 "[ . 1 . 2]" 1
84 1 38 LEU H 1 52 VAL MG2 4.380 . 4.380 4.071 3.882 4.233 . 0 0 "[ . 1 . 2]" 1
85 1 50 PHE HE1 1 52 VAL MG2 5.440 . 5.440 4.079 3.932 4.317 . 0 0 "[ . 1 . 2]" 1
86 1 37 LYS HA 1 52 VAL MG2 4.440 . 4.440 4.191 4.033 4.407 . 0 0 "[ . 1 . 2]" 1
87 1 51 LYS HA 1 52 VAL MG2 4.590 . 4.590 3.856 3.769 3.996 . 0 0 "[ . 1 . 2]" 1
88 1 50 PHE HB2 1 52 VAL MG2 5.040 . 5.040 4.529 4.264 4.690 . 0 0 "[ . 1 . 2]" 1
89 1 52 VAL MG2 1 60 LYS QE 5.520 . 5.520 4.946 4.390 5.533 0.013 9 0 "[ . 1 . 2]" 1
90 1 36 ILE HG12 1 52 VAL MG2 3.640 . 3.640 3.100 2.940 3.309 . 0 0 "[ . 1 . 2]" 1
91 1 52 VAL MG2 1 61 LEU HG 3.780 . 3.780 3.816 3.670 3.898 0.118 10 0 "[ . 1 . 2]" 1
92 1 69 GLN H 1 71 VAL MG2 4.130 . 4.130 4.005 3.919 4.126 . 0 0 "[ . 1 . 2]" 1
93 1 71 VAL MG2 1 76 LEU H 4.490 . 4.490 4.591 4.528 4.644 0.154 1 0 "[ . 1 . 2]" 1
94 1 65 TYR QD 1 71 VAL MG2 5.050 . 5.050 5.034 4.933 5.119 0.069 13 0 "[ . 1 . 2]" 1
95 1 65 TYR HE1 1 71 VAL MG2 4.710 . 4.710 4.681 4.556 4.746 0.036 17 0 "[ . 1 . 2]" 1
96 1 71 VAL MG2 1 72 PRO HA 4.620 . 4.620 4.420 4.304 4.492 . 0 0 "[ . 1 . 2]" 1
97 1 69 GLN HA 1 71 VAL MG2 5.020 . 5.020 4.519 4.415 4.640 . 0 0 "[ . 1 . 2]" 1
98 1 66 CYS HA 1 71 VAL MG2 3.220 . 3.220 3.168 3.030 3.245 0.025 6 0 "[ . 1 . 2]" 1
99 1 71 VAL MG2 1 72 PRO QB 5.170 . 5.170 4.933 4.840 5.040 . 0 0 "[ . 1 . 2]" 1
100 1 48 ILE MD 1 68 ARG H 4.730 . 4.730 4.623 4.478 4.738 0.008 11 0 "[ . 1 . 2]" 1
101 1 48 ILE MD 1 68 ARG QD 3.630 . 3.630 3.552 3.311 3.726 0.096 13 0 "[ . 1 . 2]" 1
102 1 40 VAL HB 1 48 ILE MD 5.220 . 5.220 5.040 4.878 5.176 . 0 0 "[ . 1 . 2]" 1
103 1 48 ILE HB 1 48 ILE MD 3.240 . 3.240 3.243 3.238 3.247 0.007 8 0 "[ . 1 . 2]" 1
104 1 48 ILE MD 1 68 ARG QG 3.550 . 3.550 3.146 2.967 3.379 . 0 0 "[ . 1 . 2]" 1
105 1 37 LYS H 1 38 LEU QD 4.120 . 4.120 3.638 3.492 3.944 . 0 0 "[ . 1 . 2]" 1
106 1 38 LEU QD 1 100 ASP H 3.670 . 3.670 3.680 3.542 3.737 0.067 20 0 "[ . 1 . 2]" 1
107 1 38 LEU QD 1 96 MET H 5.600 . 5.600 5.027 4.830 5.193 . 0 0 "[ . 1 . 2]" 1
108 1 38 LEU HA 1 38 LEU QD 3.100 . 3.100 3.020 2.949 3.045 . 0 0 "[ . 1 . 2]" 1
109 1 38 LEU QD 1 39 LYS HA 5.460 . 5.460 5.214 5.118 5.255 . 0 0 "[ . 1 . 2]" 1
110 1 38 LEU QD 1 97 GLU HA 4.890 . 4.890 4.561 4.427 4.779 . 0 0 "[ . 1 . 2]" 1
111 1 38 LEU HB3 1 38 LEU QD 3.130 . 3.130 2.122 2.084 2.136 . 0 0 "[ . 1 . 2]" 1
112 1 85 ILE MG 1 86 ALA H 3.400 . 3.400 2.811 2.684 2.902 . 0 0 "[ . 1 . 2]" 1
113 1 86 ALA H 1 86 ALA MB 3.510 . 3.510 2.297 2.237 2.340 . 0 0 "[ . 1 . 2]" 1
114 1 85 ILE H 1 85 ILE MG 3.950 . 3.950 3.805 3.789 3.830 . 0 0 "[ . 1 . 2]" 1
115 1 36 ILE MG 1 37 LYS H 4.000 . 4.000 3.685 3.609 3.732 . 0 0 "[ . 1 . 2]" 1
116 1 85 ILE MG 1 89 HIS HB2 4.050 . 4.050 2.773 2.592 2.925 . 0 0 "[ . 1 . 2]" 1
117 1 86 ALA MB 1 89 HIS HB2 4.230 . 4.230 2.891 2.783 3.055 . 0 0 "[ . 1 . 2]" 1
118 1 85 ILE MG 1 89 HIS HB3 3.660 . 3.660 2.938 2.695 3.095 . 0 0 "[ . 1 . 2]" 1
119 1 36 ILE MG 1 98 GLU HB3 3.360 . 3.360 2.396 2.070 2.728 . 0 0 "[ . 1 . 2]" 1
120 1 62 LYS QD 1 85 ILE MG 3.280 . 3.280 2.402 2.043 2.607 . 0 0 "[ . 1 . 2]" 1
121 1 85 ILE MG 1 94 LEU MD2 4.160 . 4.160 4.190 4.054 4.262 0.102 16 0 "[ . 1 . 2]" 1
122 1 41 ILE H 1 41 ILE MD 3.890 . 3.890 3.700 3.616 3.861 . 0 0 "[ . 1 . 2]" 1
123 1 41 ILE MD 1 48 ILE H 4.390 . 4.390 4.291 3.969 4.415 0.025 10 0 "[ . 1 . 2]" 1
124 1 41 ILE MD 1 47 GLU QG 3.710 . 3.710 1.903 1.810 2.251 . 0 0 "[ . 1 . 2]" 1
125 1 41 ILE HB 1 41 ILE MD 3.280 . 3.280 3.233 3.221 3.240 . 0 0 "[ . 1 . 2]" 1
126 1 39 LYS QD 1 41 ILE MD 2.710 . 2.710 2.186 2.064 2.316 . 0 0 "[ . 1 . 2]" 1
127 1 70 GLY H 1 71 VAL MG1 4.200 . 4.200 4.164 4.011 4.246 0.046 3 0 "[ . 1 . 2]" 1
128 1 71 VAL H 1 71 VAL MG1 3.380 . 3.380 2.950 2.858 3.089 . 0 0 "[ . 1 . 2]" 1
129 1 51 LYS HA 1 52 VAL MG1 4.190 . 4.190 3.795 3.630 3.939 . 0 0 "[ . 1 . 2]" 1
130 1 70 GLY QA 1 71 VAL MG1 3.720 . 3.720 3.547 3.513 3.611 . 0 0 "[ . 1 . 2]" 1
131 1 52 VAL MG1 1 60 LYS QD 3.260 . 3.260 2.906 2.131 3.498 0.238 7 0 "[ . 1 . 2]" 1
132 1 36 ILE H 1 36 ILE HG13 4.720 . 4.720 3.218 3.151 3.287 . 0 0 "[ . 1 . 2]" 1
133 1 36 ILE HG13 1 52 VAL H 5.330 . 5.330 3.599 3.472 3.726 . 0 0 "[ . 1 . 2]" 1
134 1 76 LEU HG 1 106 GLN HE22 3.940 . 3.940 3.978 3.755 4.057 0.117 7 0 "[ . 1 . 2]" 1
135 1 101 VAL HA 1 102 ILE QG 4.640 . 4.640 3.875 3.588 3.920 . 0 0 "[ . 1 . 2]" 1
136 1 76 LEU HG 1 106 GLN HA 5.410 . 5.410 5.279 5.149 5.443 0.033 6 0 "[ . 1 . 2]" 1
137 1 66 CYS HA 1 76 LEU HG 5.410 . 5.410 5.130 4.983 5.272 . 0 0 "[ . 1 . 2]" 1
138 1 101 VAL QG 1 102 ILE QG 3.970 . 3.970 4.090 3.965 4.126 0.156 12 0 "[ . 1 . 2]" 1
139 1 76 LEU HG 1 104 VAL MG1 4.390 . 4.390 4.177 4.067 4.263 . 0 0 "[ . 1 . 2]" 1
140 1 52 VAL H 1 52 VAL MG1 3.200 . 3.200 3.023 2.832 3.113 . 0 0 "[ . 1 . 2]" 1
141 1 51 LYS H 1 52 VAL MG1 3.900 . 3.900 3.575 3.439 3.774 . 0 0 "[ . 1 . 2]" 1
142 1 40 VAL MG1 1 65 TYR QD 3.840 . 3.840 2.475 2.337 2.556 . 0 0 "[ . 1 . 2]" 1
143 1 102 ILE H 1 102 ILE MG 3.950 . 3.950 3.881 3.862 3.893 . 0 0 "[ . 1 . 2]" 1
144 1 102 ILE HA 1 102 ILE MG 3.440 . 3.440 2.356 2.339 2.369 . 0 0 "[ . 1 . 2]" 1
145 1 78 PHE HB3 1 102 ILE MG 4.180 . 4.180 4.016 3.889 4.149 . 0 0 "[ . 1 . 2]" 1
146 1 102 ILE MD 1 102 ILE MG 3.070 . 3.070 3.035 2.717 3.065 . 0 0 "[ . 1 . 2]" 1
147 1 40 VAL MG2 1 102 ILE MG 3.580 . 3.580 2.914 2.800 3.007 . 0 0 "[ . 1 . 2]" 1
148 1 61 LEU MD2 1 102 ILE MG 4.240 . 4.240 3.708 3.630 3.856 . 0 0 "[ . 1 . 2]" 1
149 1 41 ILE H 1 41 ILE MG 3.870 . 3.870 3.805 3.791 3.828 . 0 0 "[ . 1 . 2]" 1
150 1 41 ILE MG 1 42 GLY H 3.320 . 3.320 3.030 2.747 3.421 0.101 9 0 "[ . 1 . 2]" 1
151 1 41 ILE MG 1 104 VAL H 4.490 . 4.490 3.782 3.612 3.984 . 0 0 "[ . 1 . 2]" 1
152 1 41 ILE MG 1 46 SER HA 5.850 . 5.850 5.508 5.316 5.650 . 0 0 "[ . 1 . 2]" 1
153 1 41 ILE MG 1 47 GLU QG 3.770 . 3.770 3.488 3.267 3.683 . 0 0 "[ . 1 . 2]" 1
154 1 57 HIS H 1 90 THR MG 4.900 . 4.900 4.055 3.774 4.270 . 0 0 "[ . 1 . 2]" 1
155 1 90 THR MG 1 93 GLU H 4.140 . 4.140 4.183 4.143 4.235 0.095 17 0 "[ . 1 . 2]" 1
156 1 57 HIS HD2 1 90 THR MG 3.210 . 3.210 1.918 1.828 2.013 . 0 0 "[ . 1 . 2]" 1
157 1 90 THR HA 1 90 THR MG 3.300 . 3.300 2.376 2.332 2.436 . 0 0 "[ . 1 . 2]" 1
158 1 90 THR MG 1 91 PRO QD 3.630 . 3.630 3.144 2.996 3.215 . 0 0 "[ . 1 . 2]" 1
159 1 90 THR MG 1 93 GLU HB2 3.860 . 3.860 3.804 3.713 3.888 0.028 6 0 "[ . 1 . 2]" 1
160 1 90 THR MG 1 92 LYS QG 3.500 . 3.500 3.434 3.318 3.543 0.043 12 0 "[ . 1 . 2]" 1
161 1 101 VAL H 1 101 VAL QG 3.090 . 3.090 2.143 2.100 2.184 . 0 0 "[ . 1 . 2]" 1
162 1 39 LYS QE 1 101 VAL QG 3.340 . 3.340 2.226 1.976 2.896 . 0 0 "[ . 1 . 2]" 1
163 1 41 ILE HB 1 101 VAL QG 3.950 . 3.950 3.647 3.438 3.916 . 0 0 "[ . 1 . 2]" 1
164 1 39 LYS QD 1 101 VAL QG 2.880 . 2.880 2.195 2.006 2.379 . 0 0 "[ . 1 . 2]" 1
165 1 37 LYS H 1 37 LYS QG 4.120 . 4.120 2.883 2.455 3.403 . 0 0 "[ . 1 . 2]" 1
166 1 36 ILE HA 1 37 LYS QG 3.930 . 3.930 3.455 3.047 4.038 0.108 18 0 "[ . 1 . 2]" 1
167 1 37 LYS QG 1 51 LYS QE 4.000 . 4.000 3.127 2.223 4.201 0.201 11 0 "[ . 1 . 2]" 1
168 1 59 LYS HG2 1 87 ASP QB 4.360 . 4.360 3.314 3.168 3.488 . 0 0 "[ . 1 . 2]" 1
169 1 37 LYS QG 1 98 GLU HB2 5.290 . 5.290 4.393 3.835 5.154 . 0 0 "[ . 1 . 2]" 1
170 1 47 GLU H 1 48 ILE QG 4.630 . 4.630 4.672 4.606 4.719 0.089 2 0 "[ . 1 . 2]" 1
171 1 48 ILE HA 1 48 ILE QG 3.980 . 3.980 3.013 2.946 3.073 . 0 0 "[ . 1 . 2]" 1
172 1 109 THR MG 1 110 GLY QA 3.940 . 3.940 3.657 3.086 4.110 0.170 20 0 "[ . 1 . 2]" 1
173 1 81 GLU H 1 81 GLU HG2 3.850 . 3.850 3.747 3.678 3.800 . 0 0 "[ . 1 . 2]" 1
174 1 81 GLU HA 1 81 GLU HG2 4.080 . 4.080 3.878 3.850 3.908 . 0 0 "[ . 1 . 2]" 1
175 1 38 LEU HB3 1 50 PHE HE1 4.770 . 4.770 2.464 2.333 2.671 . 0 0 "[ . 1 . 2]" 1
176 1 103 GLU HG3 1 104 VAL HB 5.010 . 5.010 5.048 4.986 5.080 0.070 2 0 "[ . 1 . 2]" 1
177 1 76 LEU QD 1 104 VAL HB 4.350 . 4.350 4.087 3.931 4.187 . 0 0 "[ . 1 . 2]" 1
178 1 57 HIS HA 1 59 LYS HG3 4.660 . 4.660 4.384 4.223 4.676 0.016 4 0 "[ . 1 . 2]" 1
179 1 54 MET QG 1 92 LYS QG 5.570 . 5.570 5.536 5.234 5.665 0.095 10 0 "[ . 1 . 2]" 1
180 1 36 ILE HG12 1 98 GLU HA 4.620 . 4.620 4.575 4.476 4.665 0.045 9 0 "[ . 1 . 2]" 1
181 1 20 ALA H 1 20 ALA MB 2.980 . 2.980 2.574 2.264 2.836 . 0 0 "[ . 1 . 2]" 1
182 1 20 ALA MB 1 21 LYS HA 3.960 . 3.960 3.957 3.765 4.116 0.156 18 0 "[ . 1 . 2]" 1
183 1 19 GLU QG 1 20 ALA MB 4.580 . 4.580 4.502 3.913 4.675 0.095 15 0 "[ . 1 . 2]" 1
184 1 81 GLU H 1 81 GLU HG3 4.430 . 4.430 4.251 4.210 4.280 . 0 0 "[ . 1 . 2]" 1
185 1 80 PHE QD 1 81 GLU HG3 4.160 . 4.160 3.877 3.810 4.016 . 0 0 "[ . 1 . 2]" 1
186 1 80 PHE HA 1 81 GLU HG3 5.260 . 5.260 5.329 5.280 5.373 0.113 9 0 "[ . 1 . 2]" 1
187 1 81 GLU HA 1 81 GLU HG3 3.750 . 3.750 3.642 3.626 3.657 . 0 0 "[ . 1 . 2]" 1
188 1 56 THR MG 1 57 HIS HD2 5.320 . 5.320 5.376 5.269 5.492 0.172 6 0 "[ . 1 . 2]" 1
189 1 56 THR MG 1 61 LEU H 5.020 . 5.020 4.769 4.548 5.029 0.009 18 0 "[ . 1 . 2]" 1
190 1 56 THR MG 1 57 HIS HB3 5.240 . 5.240 5.033 4.805 5.274 0.034 10 0 "[ . 1 . 2]" 1
191 1 52 VAL MG1 1 56 THR MG 4.350 . 4.350 3.187 3.008 3.414 . 0 0 "[ . 1 . 2]" 1
192 1 20 ALA HA 1 21 LYS QG 3.940 . 3.940 3.592 3.268 4.081 0.141 10 0 "[ . 1 . 2]" 1
193 1 60 LYS QG 1 63 GLU HG3 5.560 . 5.560 5.132 4.604 5.573 0.013 3 0 "[ . 1 . 2]" 1
194 1 35 TYR QD 1 51 LYS QD 4.500 . 4.500 3.726 3.133 4.387 . 0 0 "[ . 1 . 2]" 1
195 1 51 LYS HA 1 51 LYS QD 4.670 . 4.670 3.917 2.339 4.565 . 0 0 "[ . 1 . 2]" 1
196 1 38 LEU HB2 1 61 LEU MD1 4.440 . 4.440 2.625 2.493 2.729 . 0 0 "[ . 1 . 2]" 1
197 1 39 LYS HB3 1 101 VAL QG 4.440 . 4.440 2.803 2.729 2.872 . 0 0 "[ . 1 . 2]" 1
198 1 84 ARG QG 1 85 ILE H 4.210 . 4.210 3.802 3.429 4.315 0.105 1 0 "[ . 1 . 2]" 1
199 1 83 GLN HA 1 84 ARG QG 5.330 . 5.330 4.773 3.984 5.354 0.024 7 0 "[ . 1 . 2]" 1
200 1 59 LYS HB3 1 87 ASP QB 4.770 . 4.770 1.960 1.821 2.097 . 0 0 "[ . 1 . 2]" 1
201 1 37 LYS H 1 37 LYS QD 4.470 . 4.470 3.590 2.013 4.511 0.041 1 0 "[ . 1 . 2]" 1
202 1 92 LYS QD 1 93 GLU H 4.460 . 4.460 4.113 4.026 4.242 . 0 0 "[ . 1 . 2]" 1
203 1 92 LYS HA 1 92 LYS QD 4.250 . 4.250 4.248 4.149 4.420 0.170 9 0 "[ . 1 . 2]" 1
204 1 37 LYS QD 1 99 GLU HA 5.090 . 5.090 4.961 4.348 5.203 0.113 18 0 "[ . 1 . 2]" 1
205 1 39 LYS HB2 1 102 ILE H 5.930 . 5.930 5.851 5.785 5.909 . 0 0 "[ . 1 . 2]" 1
206 1 39 LYS HB2 1 101 VAL QG 4.190 . 4.190 4.257 4.206 4.314 0.124 5 0 "[ . 1 . 2]" 1
207 1 77 ARG QB 1 79 LEU MD1 4.710 . 4.710 3.303 2.980 3.818 . 0 0 "[ . 1 . 2]" 1
208 1 27 LEU HA 1 27 LEU HG 4.140 . 4.140 3.363 2.425 3.746 . 0 0 "[ . 1 . 2]" 1
209 1 27 LEU H 1 27 LEU HB2 3.980 . 3.980 3.118 2.473 3.990 0.010 16 0 "[ . 1 . 2]" 1
210 1 77 ARG QB 1 105 TYR QD 4.500 . 4.500 3.416 3.054 4.319 . 0 0 "[ . 1 . 2]" 1
211 1 77 ARG QB 1 104 VAL HA 4.680 . 4.680 4.159 3.803 4.753 0.073 10 0 "[ . 1 . 2]" 1
212 1 21 LYS HA 1 21 LYS QD 4.800 . 4.800 3.828 2.027 4.560 . 0 0 "[ . 1 . 2]" 1
213 1 29 ASP HA 1 30 LYS QD 5.410 . 5.410 4.566 2.679 5.672 0.262 20 0 "[ . 1 . 2]" 1
214 1 28 GLY QA 1 30 LYS QD 4.430 . 4.430 4.110 2.978 4.577 0.147 16 0 "[ . 1 . 2]" 1
215 1 92 LYS QD 1 93 GLU QG 4.180 . 4.180 3.688 3.483 3.804 . 0 0 "[ . 1 . 2]" 1
216 1 57 HIS H 1 60 LYS QD 4.730 . 4.730 4.005 2.987 4.756 0.026 18 0 "[ . 1 . 2]" 1
217 1 77 ARG H 1 107 GLU HB3 4.710 . 4.710 4.574 4.089 4.771 0.061 3 0 "[ . 1 . 2]" 1
218 1 107 GLU HB3 1 108 GLN H 4.660 . 4.660 4.508 4.485 4.533 . 0 0 "[ . 1 . 2]" 1
219 1 106 GLN HA 1 107 GLU HB3 4.740 . 4.740 4.626 4.543 4.723 . 0 0 "[ . 1 . 2]" 1
220 1 79 LEU MD2 1 84 ARG QB 5.500 . 5.500 5.352 5.159 5.546 0.046 18 0 "[ . 1 . 2]" 1
221 1 21 LYS HB2 1 22 PRO HD3 4.420 . 4.420 3.738 3.054 4.613 0.193 17 0 "[ . 1 . 2]" 1
222 1 48 ILE HB 1 65 TYR QD 4.480 . 4.480 3.987 3.845 4.087 . 0 0 "[ . 1 . 2]" 1
223 1 40 VAL HB 1 48 ILE HB 4.460 . 4.460 2.397 2.253 2.553 . 0 0 "[ . 1 . 2]" 1
224 1 85 ILE H 1 85 ILE QG 4.690 . 4.690 2.280 2.198 2.376 . 0 0 "[ . 1 . 2]" 1
225 1 107 GLU HB2 1 108 GLN H 4.550 . 4.550 4.411 4.390 4.434 . 0 0 "[ . 1 . 2]" 1
226 1 34 GLU QB 1 35 TYR H 4.070 . 4.070 3.759 2.920 3.949 . 0 0 "[ . 1 . 2]" 1
227 1 34 GLU QB 1 35 TYR QD 5.030 . 5.030 4.699 3.458 5.124 0.094 3 0 "[ . 1 . 2]" 1
228 1 36 ILE HG12 1 98 GLU HB3 5.530 . 5.530 5.132 4.818 5.528 . 0 0 "[ . 1 . 2]" 1
229 1 36 ILE MG 1 53 LYS QB 5.260 . 5.260 5.219 4.838 5.400 0.140 5 0 "[ . 1 . 2]" 1
230 1 22 PRO HB3 1 23 SER H 4.590 . 4.590 3.814 3.162 4.304 . 0 0 "[ . 1 . 2]" 1
231 1 54 MET ME 1 97 GLU H 4.440 . 4.440 4.427 4.296 4.529 0.089 11 0 "[ . 1 . 2]" 1
232 1 54 MET ME 1 92 LYS H 3.220 . 3.220 2.678 2.570 2.821 . 0 0 "[ . 1 . 2]" 1
233 1 94 LEU H 1 96 MET ME 4.340 . 4.340 4.389 4.362 4.423 0.083 20 0 "[ . 1 . 2]" 1
234 1 80 PHE QE 1 96 MET ME 4.530 . 4.530 3.635 3.535 3.725 . 0 0 "[ . 1 . 2]" 1
235 1 54 MET ME 1 55 THR H 5.020 . 5.020 4.773 4.588 4.912 . 0 0 "[ . 1 . 2]" 1
236 1 54 MET ME 1 97 GLU HA 3.680 . 3.680 3.068 2.938 3.185 . 0 0 "[ . 1 . 2]" 1
237 1 91 PRO HA 1 96 MET ME 3.440 . 3.440 3.346 3.226 3.454 0.014 7 0 "[ . 1 . 2]" 1
238 1 54 MET ME 1 92 LYS HA 2.600 . 2.600 2.180 2.064 2.313 . 0 0 "[ . 1 . 2]" 1
239 1 54 MET ME 1 91 PRO QD 3.840 . 3.840 3.788 3.647 3.900 0.060 16 0 "[ . 1 . 2]" 1
240 1 54 MET HB3 1 54 MET ME 3.110 . 3.110 2.139 1.995 2.337 . 0 0 "[ . 1 . 2]" 1
241 1 54 MET ME 1 91 PRO QB 3.220 . 3.220 1.923 1.855 2.049 . 0 0 "[ . 1 . 2]" 1
242 1 54 MET ME 1 92 LYS QG 3.440 . 3.440 3.497 3.202 3.563 0.123 6 0 "[ . 1 . 2]" 1
243 1 96 MET ME 1 102 ILE MD 4.040 . 4.040 3.766 3.560 3.919 . 0 0 "[ . 1 . 2]" 1
244 1 19 GLU H 1 19 GLU QB 3.220 . 3.220 2.850 2.161 3.255 0.035 18 0 "[ . 1 . 2]" 1
245 1 32 GLU H 1 32 GLU QB 3.800 . 3.800 2.866 2.356 3.369 . 0 0 "[ . 1 . 2]" 1
246 1 103 GLU QB 1 105 TYR QE 4.520 . 4.520 3.380 3.176 3.771 . 0 0 "[ . 1 . 2]" 1
247 1 41 ILE MD 1 47 GLU HB2 4.300 . 4.300 4.226 3.808 4.357 0.057 13 0 "[ . 1 . 2]" 1
248 1 106 GLN H 1 106 GLN HB2 3.270 . 3.270 2.622 2.497 2.720 . 0 0 "[ . 1 . 2]" 1
249 1 19 GLU QB 1 20 ALA MB 4.850 . 4.850 4.306 3.877 4.611 . 0 0 "[ . 1 . 2]" 1
250 1 48 ILE MG 1 68 ARG QB 4.450 . 4.450 2.428 2.290 2.562 . 0 0 "[ . 1 . 2]" 1
251 1 36 ILE MG 1 54 MET HB2 4.520 . 4.520 4.142 3.983 4.329 . 0 0 "[ . 1 . 2]" 1
252 1 89 HIS HA 1 93 GLU HB3 5.010 . 5.010 4.966 4.750 5.091 0.081 1 0 "[ . 1 . 2]" 1
253 1 21 LYS HA 1 22 PRO QG 4.150 . 4.150 3.927 3.702 4.115 . 0 0 "[ . 1 . 2]" 1
254 1 105 TYR HA 1 106 GLN HB2 4.690 . 4.690 4.239 4.194 4.292 . 0 0 "[ . 1 . 2]" 1
255 1 93 GLU HB3 1 94 LEU QB 5.300 . 5.300 5.213 5.066 5.288 . 0 0 "[ . 1 . 2]" 1
256 1 92 LYS QG 1 93 GLU HB3 4.900 . 4.900 4.476 4.362 4.727 . 0 0 "[ . 1 . 2]" 1
257 1 36 ILE MG 1 98 GLU HB2 4.420 . 4.420 3.660 3.230 3.978 . 0 0 "[ . 1 . 2]" 1
258 1 93 GLU HB3 1 94 LEU MD1 5.560 . 5.560 5.462 5.308 5.579 0.019 13 0 "[ . 1 . 2]" 1
259 1 107 GLU QG 1 108 GLN H 4.100 . 4.100 3.519 3.455 3.609 . 0 0 "[ . 1 . 2]" 1
260 1 39 LYS H 1 101 VAL HB 4.520 . 4.520 4.146 3.988 4.302 . 0 0 "[ . 1 . 2]" 1
261 1 75 SER HA 1 107 GLU QG 4.020 . 4.020 2.978 2.578 3.239 . 0 0 "[ . 1 . 2]" 1
262 1 107 GLU HA 1 107 GLU QG 3.910 . 3.910 3.359 3.343 3.372 . 0 0 "[ . 1 . 2]" 1
263 1 76 LEU QD 1 107 GLU QG 4.340 . 4.340 4.256 4.179 4.384 0.044 8 0 "[ . 1 . 2]" 1
264 1 65 TYR HE2 1 73 MET ME 4.550 . 4.550 4.441 4.185 4.574 0.024 7 0 "[ . 1 . 2]" 1
265 1 73 MET ME 1 87 ASP HA 5.680 . 5.680 5.305 4.981 5.496 . 0 0 "[ . 1 . 2]" 1
266 1 43 GLN H 1 43 GLN HB2 3.980 . 3.980 3.379 2.959 3.533 . 0 0 "[ . 1 . 2]" 1
267 1 108 GLN HB2 1 108 GLN QG 2.550 . 2.550 2.358 2.342 2.382 . 0 0 "[ . 1 . 2]" 1
268 1 83 GLN H 1 83 GLN HB2 4.010 . 4.010 3.852 3.819 3.872 . 0 0 "[ . 1 . 2]" 1
269 1 62 LYS H 1 73 MET ME 4.380 . 4.380 4.381 4.287 4.429 0.049 13 0 "[ . 1 . 2]" 1
270 1 73 MET ME 1 78 PHE QE 4.180 . 4.180 2.288 2.045 2.850 . 0 0 "[ . 1 . 2]" 1
271 1 73 MET HA 1 73 MET ME 4.170 . 4.170 3.917 3.778 4.373 0.203 3 0 "[ . 1 . 2]" 1
272 1 73 MET ME 1 73 MET QG 2.870 . 2.870 2.365 2.180 2.418 . 0 0 "[ . 1 . 2]" 1
273 1 62 LYS QE 1 73 MET ME 2.810 . 2.810 2.777 2.624 2.938 0.128 3 0 "[ . 1 . 2]" 1
274 1 98 GLU H 1 98 GLU HB2 3.620 . 3.620 3.627 3.591 3.671 0.051 14 0 "[ . 1 . 2]" 1
275 1 106 GLN HB3 1 106 GLN HE21 4.750 . 4.750 4.136 4.116 4.161 . 0 0 "[ . 1 . 2]" 1
276 1 103 GLU H 1 103 GLU HG3 4.760 . 4.760 4.413 4.365 4.465 . 0 0 "[ . 1 . 2]" 1
277 1 103 GLU HG3 1 105 TYR H 4.680 . 4.680 4.605 4.434 4.822 0.142 12 0 "[ . 1 . 2]" 1
278 1 52 VAL HB 1 61 LEU HG 5.640 . 5.640 5.587 5.454 5.670 0.030 7 0 "[ . 1 . 2]" 1
279 1 91 PRO QB 1 97 GLU HA 4.790 . 4.790 4.770 4.618 4.871 0.081 3 0 "[ . 1 . 2]" 1
280 1 54 MET HA 1 91 PRO QB 4.660 . 4.660 2.713 2.465 3.419 . 0 0 "[ . 1 . 2]" 1
281 1 36 ILE MG 1 91 PRO QB 5.590 . 5.590 4.718 4.488 5.035 . 0 0 "[ . 1 . 2]" 1
282 1 36 ILE HG13 1 91 PRO QB 6.000 . 6.000 4.619 4.434 4.779 . 0 0 "[ . 1 . 2]" 1
283 1 69 GLN QG 1 71 VAL MG1 6.000 . 6.000 4.551 4.348 4.745 . 0 0 "[ . 1 . 2]" 1
284 1 54 MET HA 1 91 PRO QG 3.630 . 3.630 2.715 1.954 3.151 . 0 0 "[ . 1 . 2]" 1
285 1 82 GLY H 1 83 GLN HB3 5.110 . 5.110 4.813 4.752 4.858 . 0 0 "[ . 1 . 2]" 1
286 1 93 GLU HB2 1 94 LEU HA 4.950 . 4.950 4.627 4.533 4.713 . 0 0 "[ . 1 . 2]" 1
287 1 80 PHE HB3 1 83 GLN HB3 5.150 . 5.150 5.120 5.056 5.187 0.037 20 0 "[ . 1 . 2]" 1
288 1 25 GLU QG 1 26 ASP H 3.390 . 3.390 3.069 2.203 3.749 0.359 16 0 "[ . 1 . 2]" 1
289 1 19 GLU H 1 19 GLU QG 3.540 . 3.540 2.497 1.854 3.847 0.307 10 0 "[ . 1 . 2]" 1
290 1 32 GLU HA 1 32 GLU QG 3.640 . 3.640 3.099 2.378 3.517 . 0 0 "[ . 1 . 2]" 1
291 1 34 GLU HA 1 34 GLU QG 3.810 . 3.810 2.700 2.301 3.277 . 0 0 "[ . 1 . 2]" 1
292 1 90 THR MG 1 93 GLU QG 4.110 . 4.110 3.419 3.098 3.595 . 0 0 "[ . 1 . 2]" 1
293 1 36 ILE MG 1 98 GLU QG 5.270 . 5.270 3.870 3.587 4.243 . 0 0 "[ . 1 . 2]" 1
294 1 39 LYS HA 1 40 VAL HB 4.330 . 4.330 4.094 4.060 4.128 . 0 0 "[ . 1 . 2]" 1
295 1 31 LYS QG 1 32 GLU QG 4.610 . 4.610 4.602 3.776 4.925 0.315 14 0 "[ . 1 . 2]" 1
296 1 67 GLN QB 1 68 ARG H 4.030 . 4.030 3.546 3.491 3.592 . 0 0 "[ . 1 . 2]" 1
297 1 63 GLU H 1 63 GLU HG3 3.870 . 3.870 2.680 1.982 2.949 . 0 0 "[ . 1 . 2]" 1
298 1 103 GLU H 1 103 GLU HG2 5.030 . 5.030 4.713 4.276 4.804 . 0 0 "[ . 1 . 2]" 1
299 1 93 GLU H 1 93 GLU QG 3.620 . 3.620 2.715 2.581 2.836 . 0 0 "[ . 1 . 2]" 1
300 1 90 THR H 1 93 GLU QG 3.800 . 3.800 3.669 3.326 3.815 0.015 16 0 "[ . 1 . 2]" 1
301 1 89 HIS HD2 1 93 GLU QG 5.140 . 5.140 5.113 4.701 5.197 0.057 20 0 "[ . 1 . 2]" 1
302 1 93 GLU HA 1 93 GLU QG 3.200 . 3.200 2.745 2.613 2.853 . 0 0 "[ . 1 . 2]" 1
303 1 93 GLU QG 1 94 LEU MD2 4.260 . 4.260 4.229 4.104 4.290 0.030 1 0 "[ . 1 . 2]" 1
304 1 93 GLU QG 1 94 LEU H 4.490 . 4.490 4.333 4.231 4.389 . 0 0 "[ . 1 . 2]" 1
305 1 97 GLU HA 1 98 GLU QG 4.890 . 4.890 4.667 4.475 4.839 . 0 0 "[ . 1 . 2]" 1
306 1 103 GLU HG2 1 105 TYR QE 4.430 . 4.430 2.301 1.986 2.584 . 0 0 "[ . 1 . 2]" 1
307 1 83 GLN HA 1 83 GLN QG 3.250 . 3.250 3.257 3.239 3.267 0.017 17 0 "[ . 1 . 2]" 1
308 1 108 GLN HA 1 108 GLN QG 3.270 . 3.270 2.396 2.339 2.450 . 0 0 "[ . 1 . 2]" 1
309 1 18 GLN HA 1 18 GLN QG 3.350 . 3.350 2.980 2.126 3.346 . 0 0 "[ . 1 . 2]" 1
310 1 83 GLN QG 1 94 LEU QB 4.110 . 4.110 4.037 3.867 4.117 0.007 1 0 "[ . 1 . 2]" 1
311 1 76 LEU HB3 1 108 GLN QG 4.880 . 4.880 4.710 4.494 4.847 . 0 0 "[ . 1 . 2]" 1
312 1 106 GLN QG 1 107 GLU H 3.850 . 3.850 2.515 2.199 2.999 . 0 0 "[ . 1 . 2]" 1
313 1 43 GLN HE21 1 43 GLN QG 3.200 . 3.200 2.159 2.109 2.240 . 0 0 "[ . 1 . 2]" 1
314 1 43 GLN HE22 1 43 GLN QG 3.690 . 3.690 3.264 3.213 3.317 . 0 0 "[ . 1 . 2]" 1
315 1 43 GLN QG 1 106 GLN HE22 4.120 . 4.120 2.641 2.339 2.943 . 0 0 "[ . 1 . 2]" 1
316 1 43 GLN QG 1 105 TYR HA 3.860 . 3.860 3.523 3.146 3.820 . 0 0 "[ . 1 . 2]" 1
317 1 106 GLN HA 1 106 GLN QG 3.480 . 3.480 2.616 2.579 2.641 . 0 0 "[ . 1 . 2]" 1
318 1 106 GLN QG 1 107 GLU HA 4.600 . 4.600 4.026 3.896 4.317 . 0 0 "[ . 1 . 2]" 1
319 1 43 GLN HA 1 43 GLN QG 3.490 . 3.490 3.288 2.918 3.471 . 0 0 "[ . 1 . 2]" 1
320 1 42 GLY QA 1 43 GLN QG 4.430 . 4.430 3.515 3.340 3.729 . 0 0 "[ . 1 . 2]" 1
321 1 43 GLN QG 1 105 TYR HB2 5.600 . 5.600 5.356 4.878 5.623 0.023 8 0 "[ . 1 . 2]" 1
322 1 43 GLN HB3 1 43 GLN QG 2.580 . 2.580 2.169 2.163 2.174 . 0 0 "[ . 1 . 2]" 1
323 1 43 GLN QG 1 104 VAL MG2 5.100 . 5.100 4.819 4.559 5.161 0.061 5 0 "[ . 1 . 2]" 1
324 1 37 LYS QE 1 99 GLU QG 4.420 . 4.420 3.207 1.831 4.528 0.108 13 0 "[ . 1 . 2]" 1
325 1 78 PHE HB3 1 79 LEU MD1 5.050 . 5.050 5.204 5.140 5.249 0.199 7 0 "[ . 1 . 2]" 1
326 1 63 GLU H 1 63 GLU HG2 3.800 . 3.800 2.236 1.806 3.371 . 0 0 "[ . 1 . 2]" 1
327 1 54 MET QG 1 97 GLU HA 4.550 . 4.550 4.513 4.301 4.611 0.061 8 0 "[ . 1 . 2]" 1
328 1 50 PHE HB3 1 52 VAL MG1 4.530 . 4.530 4.395 4.061 4.598 0.068 16 0 "[ . 1 . 2]" 1
329 1 64 SER HA 1 67 GLN HG2 4.360 . 4.360 2.253 2.083 2.433 . 0 0 "[ . 1 . 2]" 1
330 1 67 GLN HA 1 67 GLN HG2 3.840 . 3.840 3.769 3.717 3.861 0.021 4 0 "[ . 1 . 2]" 1
331 1 26 ASP QB 1 27 LEU H 3.950 . 3.950 3.220 2.070 3.972 0.022 20 0 "[ . 1 . 2]" 1
332 1 26 ASP QB 1 27 LEU HA 4.660 . 4.660 4.341 3.882 4.766 0.106 10 0 "[ . 1 . 2]" 1
333 1 15 MET ME 1 15 MET QG 3.050 . 3.050 2.322 2.229 2.461 . 0 0 "[ . 1 . 2]" 1
334 1 28 GLY QA 1 29 ASP QB 4.400 . 4.400 4.333 4.061 4.590 0.190 14 0 "[ . 1 . 2]" 1
335 1 100 ASP HB3 1 101 VAL H 4.300 . 4.300 3.108 2.862 3.358 . 0 0 "[ . 1 . 2]" 1
336 1 39 LYS QE 1 47 GLU HA 4.960 . 4.960 4.865 4.595 5.073 0.113 12 0 "[ . 1 . 2]" 1
337 1 96 MET QB 1 100 ASP HB3 3.380 . 3.380 2.878 2.684 3.131 . 0 0 "[ . 1 . 2]" 1
338 1 38 LEU QD 1 100 ASP HB3 3.470 . 3.470 2.222 2.084 2.419 . 0 0 "[ . 1 . 2]" 1
339 1 92 LYS H 1 92 LYS QE 4.490 . 4.490 4.364 4.167 4.549 0.059 12 0 "[ . 1 . 2]" 1
340 1 59 LYS QE 1 60 LYS HA 5.210 . 5.210 4.601 4.330 5.401 0.191 4 0 "[ . 1 . 2]" 1
341 1 92 LYS QE 1 93 GLU HA 3.930 . 3.930 3.988 3.587 4.276 0.346 1 0 "[ . 1 . 2]" 1
342 1 92 LYS QE 1 93 GLU QG 4.080 . 4.080 2.044 1.860 2.222 . 0 0 "[ . 1 . 2]" 1
343 1 92 LYS QD 1 92 LYS QE 2.470 . 2.470 2.078 2.026 2.088 . 0 0 "[ . 1 . 2]" 1
344 1 92 LYS QE 1 92 LYS QG 2.790 . 2.790 2.081 2.046 2.226 . 0 0 "[ . 1 . 2]" 1
345 1 78 PHE HB2 1 102 ILE MG 4.440 . 4.440 3.530 3.408 3.653 . 0 0 "[ . 1 . 2]" 1
346 1 99 GLU H 1 100 ASP HB2 5.180 . 5.180 4.548 4.257 4.728 . 0 0 "[ . 1 . 2]" 1
347 1 79 LEU HA 1 80 PHE HB2 4.480 . 4.480 4.389 4.337 4.481 0.001 16 0 "[ . 1 . 2]" 1
348 1 80 PHE HB2 1 83 GLN QG 4.530 . 4.530 4.324 4.257 4.393 . 0 0 "[ . 1 . 2]" 1
349 1 60 LYS QB 1 60 LYS QE 3.480 . 3.480 2.005 1.867 2.428 . 0 0 "[ . 1 . 2]" 1
350 1 77 ARG HA 1 77 ARG QD 4.280 . 4.280 4.021 3.302 4.470 0.190 10 0 "[ . 1 . 2]" 1
351 1 77 ARG QD 1 105 TYR HB3 4.660 . 4.660 4.346 3.498 4.949 0.289 6 0 "[ . 1 . 2]" 1
352 1 66 CYS HB3 1 71 VAL MG2 4.610 . 4.610 3.417 3.256 3.536 . 0 0 "[ . 1 . 2]" 1
353 1 57 HIS HB3 1 57 HIS HE1 5.070 . 5.070 4.958 4.841 5.029 . 0 0 "[ . 1 . 2]" 1
354 1 62 LYS HA 1 65 TYR HB2 5.850 . 5.850 5.534 5.383 5.669 . 0 0 "[ . 1 . 2]" 1
355 1 84 ARG QD 1 85 ILE H 4.560 . 4.560 4.261 3.134 4.719 0.159 3 0 "[ . 1 . 2]" 1
356 1 84 ARG HA 1 84 ARG QD 4.350 . 4.350 3.807 3.567 4.227 . 0 0 "[ . 1 . 2]" 1
357 1 66 CYS HB2 1 71 VAL MG2 5.040 . 5.040 4.801 4.644 4.909 . 0 0 "[ . 1 . 2]" 1
358 1 59 LYS HA 1 62 LYS H 4.540 . 4.540 3.550 3.352 3.704 . 0 0 "[ . 1 . 2]" 1
359 1 59 LYS HA 1 62 LYS QE 4.380 . 4.380 3.912 3.233 4.102 . 0 0 "[ . 1 . 2]" 1
360 1 59 LYS HA 1 62 LYS QB 4.720 . 4.720 3.531 2.759 4.193 . 0 0 "[ . 1 . 2]" 1
361 1 59 LYS HA 1 61 LEU HB3 5.420 . 5.420 5.063 4.905 5.251 . 0 0 "[ . 1 . 2]" 1
362 1 21 LYS HA 1 22 PRO HD3 2.910 . 2.910 2.181 1.808 2.584 . 0 0 "[ . 1 . 2]" 1
363 1 38 LEU HA 1 99 GLU HA 4.500 . 4.500 3.212 2.780 3.518 . 0 0 "[ . 1 . 2]" 1
364 1 61 LEU HA 1 64 SER QB 3.670 . 3.670 2.454 2.357 2.548 . 0 0 "[ . 1 . 2]" 1
365 1 61 LEU HA 1 61 LEU MD1 3.860 . 3.860 3.696 3.646 3.721 . 0 0 "[ . 1 . 2]" 1
366 1 21 LYS HA 1 22 PRO HD2 2.880 . 2.880 2.525 2.204 2.908 0.028 19 0 "[ . 1 . 2]" 1
367 1 52 VAL HB 1 53 LYS HA 4.920 . 4.920 4.765 4.674 4.855 . 0 0 "[ . 1 . 2]" 1
368 1 59 LYS HB2 1 87 ASP HA 3.910 . 3.910 3.381 3.032 3.768 . 0 0 "[ . 1 . 2]" 1
369 1 53 LYS HA 1 53 LYS QD 4.790 . 4.790 3.704 2.086 4.093 . 0 0 "[ . 1 . 2]" 1
370 1 58 LEU QB 1 87 ASP HA 5.480 . 5.480 3.837 3.606 3.992 . 0 0 "[ . 1 . 2]" 1
371 1 86 ALA MB 1 87 ASP HA 5.280 . 5.280 4.316 4.268 4.355 . 0 0 "[ . 1 . 2]" 1
372 1 58 LEU HG 1 91 PRO QD 4.500 . 4.500 4.536 4.366 4.594 0.094 13 0 "[ . 1 . 2]" 1
373 1 46 SER HA 1 46 SER HB2 2.830 . 2.830 2.648 2.519 3.000 0.170 9 0 "[ . 1 . 2]" 1
374 1 33 GLY QA 1 34 GLU H 3.400 . 3.400 2.284 2.096 2.882 . 0 0 "[ . 1 . 2]" 1
375 1 33 GLY QA 1 35 TYR QD 4.570 . 4.570 3.122 2.428 4.155 . 0 0 "[ . 1 . 2]" 1
376 1 27 LEU HB3 1 28 GLY QA 5.070 . 5.070 4.580 3.718 5.373 0.303 15 0 "[ . 1 . 2]" 1
377 1 28 GLY QA 1 30 LYS QG 5.310 . 5.310 4.428 3.131 5.420 0.110 9 0 "[ . 1 . 2]" 1
378 1 65 TYR H 1 66 CYS HA 5.110 . 5.110 5.068 5.044 5.096 . 0 0 "[ . 1 . 2]" 1
379 1 66 CYS HA 1 68 ARG H 4.530 . 4.530 4.396 4.351 4.461 . 0 0 "[ . 1 . 2]" 1
380 1 66 CYS HA 1 69 GLN QB 4.130 . 4.130 3.176 3.049 3.260 . 0 0 "[ . 1 . 2]" 1
381 1 32 GLU HA 1 33 GLY QA 4.520 . 4.520 4.018 3.875 4.280 . 0 0 "[ . 1 . 2]" 1
382 1 109 THR HA 1 110 GLY QA 5.060 . 5.060 3.951 3.867 4.202 . 0 0 "[ . 1 . 2]" 1
383 1 92 LYS HA 1 95 GLY H 4.290 . 4.290 3.634 3.490 3.749 . 0 0 "[ . 1 . 2]" 1
384 1 93 GLU HA 1 95 GLY H 4.600 . 4.600 3.679 3.584 3.828 . 0 0 "[ . 1 . 2]" 1
385 1 92 LYS HA 1 92 LYS QE 5.140 . 5.140 5.141 4.228 5.282 0.142 1 0 "[ . 1 . 2]" 1
386 1 58 LEU HA 1 61 LEU HB3 3.230 . 3.230 2.826 2.516 3.075 . 0 0 "[ . 1 . 2]" 1
387 1 56 THR HB 1 60 LYS QD 4.680 . 4.680 4.123 3.725 4.823 0.143 3 0 "[ . 1 . 2]" 1
388 1 68 ARG HA 1 68 ARG QD 3.780 . 3.780 2.599 1.983 3.261 . 0 0 "[ . 1 . 2]" 1
389 1 68 ARG HA 1 68 ARG QG 3.790 . 3.790 2.741 2.556 2.918 . 0 0 "[ . 1 . 2]" 1
390 1 44 ASP H 1 45 SER QB 5.500 . 5.500 5.161 4.843 5.379 . 0 0 "[ . 1 . 2]" 1
391 1 65 TYR HA 1 65 TYR QD 3.760 . 3.760 3.649 3.616 3.662 . 0 0 "[ . 1 . 2]" 1
392 1 65 TYR HA 1 68 ARG QD 4.590 . 4.590 4.489 4.187 4.645 0.055 6 0 "[ . 1 . 2]" 1
393 1 62 LYS HA 1 64 SER QB 5.010 . 5.010 5.021 4.891 5.131 0.121 12 0 "[ . 1 . 2]" 1
394 1 40 VAL MG2 1 65 TYR HA 5.430 . 5.430 5.384 5.227 5.470 0.040 3 0 "[ . 1 . 2]" 1
395 1 44 ASP H 1 45 SER HA 4.760 . 4.760 4.582 4.405 4.770 0.010 3 0 "[ . 1 . 2]" 1
396 1 44 ASP HA 1 45 SER HA 4.960 . 4.960 4.999 4.947 5.099 0.139 7 0 "[ . 1 . 2]" 1
397 1 60 LYS HA 1 64 SER H 4.190 . 4.190 4.000 3.905 4.137 . 0 0 "[ . 1 . 2]" 1
398 1 67 GLN HA 1 69 GLN H 4.270 . 4.270 4.129 3.864 4.296 0.026 5 0 "[ . 1 . 2]" 1
399 1 59 LYS HA 1 60 LYS HA 4.940 . 4.940 4.735 4.645 4.866 . 0 0 "[ . 1 . 2]" 1
400 1 60 LYS HA 1 63 GLU HG3 3.270 . 3.270 2.495 2.086 2.729 . 0 0 "[ . 1 . 2]" 1
401 1 59 LYS HG3 1 60 LYS HA 4.700 . 4.700 4.327 4.156 4.539 . 0 0 "[ . 1 . 2]" 1
402 1 79 LEU HB3 1 82 GLY HA2 5.620 . 5.620 5.444 5.284 5.551 . 0 0 "[ . 1 . 2]" 1
403 1 72 PRO QD 1 75 SER HB2 4.350 . 4.350 3.292 2.844 3.534 . 0 0 "[ . 1 . 2]" 1
404 1 72 PRO QG 1 75 SER HB2 4.290 . 4.290 2.876 2.345 3.303 . 0 0 "[ . 1 . 2]" 1
405 1 19 GLU HA 1 20 ALA H 2.710 . 2.710 2.421 2.189 2.826 0.116 17 0 "[ . 1 . 2]" 1
406 1 56 THR HA 1 57 HIS HB2 4.690 . 4.690 4.658 4.566 4.732 0.042 18 0 "[ . 1 . 2]" 1
407 1 98 GLU HA 1 99 GLU QB 4.300 . 4.300 4.304 4.096 4.429 0.129 9 0 "[ . 1 . 2]" 1
408 1 36 ILE HB 1 98 GLU HA 3.980 . 3.980 1.939 1.829 2.017 . 0 0 "[ . 1 . 2]" 1
409 1 32 GLU HA 1 35 TYR QD 5.490 . 5.490 3.641 2.038 4.866 . 0 0 "[ . 1 . 2]" 1
410 1 34 GLU HA 1 35 TYR QD 6.000 . 6.000 4.803 4.265 5.348 . 0 0 "[ . 1 . 2]" 1
411 1 19 GLU HA 1 19 GLU QG 3.550 . 3.550 3.331 2.317 3.544 . 0 0 "[ . 1 . 2]" 1
412 1 24 THR HB 1 25 GLU H 4.310 . 4.310 3.659 1.849 4.451 0.141 15 0 "[ . 1 . 2]" 1
413 1 68 ARG HA 1 69 GLN HA 4.890 . 4.890 4.698 4.619 4.745 . 0 0 "[ . 1 . 2]" 1
414 1 93 GLU HB3 1 94 LEU HA 4.160 . 4.160 4.154 4.027 4.223 0.063 4 0 "[ . 1 . 2]" 1
415 1 31 LYS HA 1 32 GLU H 2.950 . 2.950 2.463 2.063 2.951 0.001 16 0 "[ . 1 . 2]" 1
416 1 32 GLU HA 1 33 GLY H 3.140 . 3.140 2.542 2.112 3.298 0.158 15 0 "[ . 1 . 2]" 1
417 1 25 GLU HA 1 26 ASP H 2.900 . 2.900 2.220 2.043 2.528 . 0 0 "[ . 1 . 2]" 1
418 1 31 LYS HA 1 31 LYS QE 4.500 . 4.500 4.020 1.932 4.758 0.258 4 0 "[ . 1 . 2]" 1
419 1 29 ASP QB 1 30 LYS HA 4.640 . 4.640 4.449 4.066 4.752 0.112 17 0 "[ . 1 . 2]" 1
420 1 30 LYS HA 1 30 LYS QB 2.760 . 2.760 2.333 2.168 2.477 . 0 0 "[ . 1 . 2]" 1
421 1 91 PRO HA 1 96 MET H 4.080 . 4.080 3.726 3.606 3.864 . 0 0 "[ . 1 . 2]" 1
422 1 91 PRO HA 1 94 LEU H 4.250 . 4.250 3.635 3.489 3.697 . 0 0 "[ . 1 . 2]" 1
423 1 91 PRO HA 1 94 LEU MD1 4.320 . 4.320 4.116 3.921 4.250 . 0 0 "[ . 1 . 2]" 1
424 1 59 LYS H 1 88 ASN HA 4.870 . 4.870 4.847 4.717 4.906 0.036 16 0 "[ . 1 . 2]" 1
425 1 20 ALA HA 1 21 LYS H 2.640 . 2.640 2.254 2.101 2.545 . 0 0 "[ . 1 . 2]" 1
426 1 20 ALA HA 1 21 LYS QD 5.290 . 5.290 4.866 2.304 5.479 0.189 13 0 "[ . 1 . 2]" 1
427 1 59 LYS HB3 1 88 ASN HA 4.750 . 4.750 4.543 4.313 4.875 0.125 4 0 "[ . 1 . 2]" 1
428 1 33 GLY QA 1 34 GLU HA 4.910 . 4.910 4.096 3.903 4.540 . 0 0 "[ . 1 . 2]" 1
429 1 39 LYS HA 1 49 HIS HA 3.880 . 3.880 2.533 2.417 2.594 . 0 0 "[ . 1 . 2]" 1
430 1 39 LYS HB2 1 49 HIS HA 4.670 . 4.670 3.614 3.400 3.694 . 0 0 "[ . 1 . 2]" 1
431 1 42 GLY H 1 46 SER HA 4.710 . 4.710 4.379 4.011 4.638 . 0 0 "[ . 1 . 2]" 1
432 1 53 LYS H 1 53 LYS QG 3.940 . 3.940 3.422 2.516 4.004 0.064 3 0 "[ . 1 . 2]" 1
433 1 47 GLU HA 1 49 HIS H 6.000 . 6.000 6.029 5.898 6.095 0.095 16 0 "[ . 1 . 2]" 1
434 1 80 PHE HA 1 103 GLU H 4.650 . 4.650 3.175 3.059 3.294 . 0 0 "[ . 1 . 2]" 1
435 1 60 LYS H 1 61 LEU H 3.320 . 3.320 2.519 2.444 2.620 . 0 0 "[ . 1 . 2]" 1
436 1 57 HIS HB3 1 61 LEU H 5.810 . 5.810 5.699 5.484 5.848 0.038 7 0 "[ . 1 . 2]" 1
437 1 61 LEU H 1 62 LYS HA 6.000 . 6.000 5.198 5.147 5.286 . 0 0 "[ . 1 . 2]" 1
438 1 61 LEU H 1 63 GLU HG2 5.220 . 5.220 4.465 4.159 5.379 0.159 7 0 "[ . 1 . 2]" 1
439 1 52 VAL HB 1 61 LEU H 6.000 . 6.000 5.532 5.157 5.814 . 0 0 "[ . 1 . 2]" 1
440 1 61 LEU H 1 73 MET ME 6.000 . 6.000 6.035 5.905 6.117 0.117 19 0 "[ . 1 . 2]" 1
441 1 60 LYS QB 1 61 LEU H 3.680 . 3.680 3.467 2.288 3.619 . 0 0 "[ . 1 . 2]" 1
442 1 60 LYS QG 1 61 LEU H 3.260 . 3.260 2.462 2.168 3.487 0.227 7 0 "[ . 1 . 2]" 1
443 1 52 VAL MG1 1 61 LEU H 4.390 . 4.390 3.777 3.441 4.107 . 0 0 "[ . 1 . 2]" 1
444 1 61 LEU H 1 61 LEU MD1 4.270 . 4.270 4.142 4.092 4.185 . 0 0 "[ . 1 . 2]" 1
445 1 61 LEU H 1 61 LEU MD2 4.160 . 4.160 4.120 4.102 4.180 0.020 7 0 "[ . 1 . 2]" 1
446 1 61 LEU H 1 62 LYS QG 4.850 . 4.850 3.717 3.493 4.160 . 0 0 "[ . 1 . 2]" 1
447 1 54 MET H 1 55 THR H 3.520 . 3.520 2.493 2.227 2.914 . 0 0 "[ . 1 . 2]" 1
448 1 55 THR H 1 56 THR H 3.180 . 3.180 2.630 1.734 2.823 0.066 10 0 "[ . 1 . 2]" 1
449 1 55 THR H 1 55 THR HB 4.080 . 4.080 2.793 2.679 3.322 . 0 0 "[ . 1 . 2]" 1
450 1 55 THR H 1 56 THR HB 4.280 . 4.280 4.255 3.643 4.354 0.074 11 0 "[ . 1 . 2]" 1
451 1 53 LYS QD 1 55 THR H 3.930 . 3.930 3.715 3.199 4.079 0.149 11 0 "[ . 1 . 2]" 1
452 1 55 THR H 1 56 THR MG 4.570 . 4.570 4.194 3.179 4.523 . 0 0 "[ . 1 . 2]" 1
453 1 55 THR H 1 55 THR MG 3.140 . 3.140 2.036 1.897 2.440 . 0 0 "[ . 1 . 2]" 1
454 1 86 ALA H 1 89 HIS H 4.080 . 4.080 3.798 3.628 3.928 . 0 0 "[ . 1 . 2]" 1
455 1 58 LEU H 1 89 HIS H 4.370 . 4.370 3.870 3.696 4.036 . 0 0 "[ . 1 . 2]" 1
456 1 59 LYS H 1 89 HIS H 4.950 . 4.950 4.457 4.297 4.564 . 0 0 "[ . 1 . 2]" 1
457 1 88 ASN H 1 89 HIS H 3.280 . 3.280 2.358 2.273 2.449 . 0 0 "[ . 1 . 2]" 1
458 1 87 ASP HA 1 89 HIS H 4.400 . 4.400 3.614 3.519 3.700 . 0 0 "[ . 1 . 2]" 1
459 1 89 HIS H 1 89 HIS HB2 3.230 . 3.230 2.235 2.206 2.263 . 0 0 "[ . 1 . 2]" 1
460 1 89 HIS H 1 89 HIS HB3 3.540 . 3.540 3.484 3.456 3.515 . 0 0 "[ . 1 . 2]" 1
461 1 88 ASN HB2 1 89 HIS H 4.010 . 4.010 3.669 3.598 3.758 . 0 0 "[ . 1 . 2]" 1
462 1 86 ALA MB 1 89 HIS H 3.100 . 3.100 2.959 2.877 3.069 . 0 0 "[ . 1 . 2]" 1
463 1 89 HIS H 1 94 LEU MD2 5.480 . 5.480 5.224 5.161 5.320 . 0 0 "[ . 1 . 2]" 1
464 1 56 THR H 1 57 HIS H 4.680 . 4.680 4.519 4.469 4.565 . 0 0 "[ . 1 . 2]" 1
465 1 56 THR H 1 92 LYS H 5.260 . 5.260 5.116 4.940 5.283 0.023 10 0 "[ . 1 . 2]" 1
466 1 56 THR H 1 90 THR HB 4.180 . 4.180 4.172 3.965 4.248 0.068 2 0 "[ . 1 . 2]" 1
467 1 56 THR H 1 56 THR HB 3.150 . 3.150 2.714 2.577 2.869 . 0 0 "[ . 1 . 2]" 1
468 1 54 MET ME 1 56 THR H 5.090 . 5.090 5.160 4.968 5.268 0.178 11 0 "[ . 1 . 2]" 1
469 1 74 ASN HA 1 76 LEU H 4.140 . 4.140 3.904 3.778 4.078 . 0 0 "[ . 1 . 2]" 1
470 1 75 SER HA 1 76 LEU H 3.510 . 3.510 3.419 3.369 3.451 . 0 0 "[ . 1 . 2]" 1
471 1 75 SER HB2 1 76 LEU H 4.360 . 4.360 3.129 3.027 3.340 . 0 0 "[ . 1 . 2]" 1
472 1 75 SER HB3 1 76 LEU H 4.280 . 4.280 3.998 3.893 4.083 . 0 0 "[ . 1 . 2]" 1
473 1 74 ASN HB2 1 76 LEU H 5.800 . 5.800 5.507 5.398 5.648 . 0 0 "[ . 1 . 2]" 1
474 1 76 LEU H 1 107 GLU QG 4.250 . 4.250 3.281 3.148 3.403 . 0 0 "[ . 1 . 2]" 1
475 1 76 LEU H 1 104 VAL MG1 5.160 . 5.160 5.105 5.008 5.194 0.034 10 0 "[ . 1 . 2]" 1
476 1 89 HIS HA 1 90 THR H 3.020 . 3.020 2.220 2.189 2.253 . 0 0 "[ . 1 . 2]" 1
477 1 90 THR H 1 91 PRO HA 5.530 . 5.530 5.342 5.239 5.422 . 0 0 "[ . 1 . 2]" 1
478 1 89 HIS HB2 1 90 THR H 4.330 . 4.330 4.225 4.159 4.286 . 0 0 "[ . 1 . 2]" 1
479 1 89 HIS HB3 1 90 THR H 3.730 . 3.730 3.052 2.959 3.151 . 0 0 "[ . 1 . 2]" 1
480 1 90 THR H 1 93 GLU HB2 3.330 . 3.330 2.554 2.402 2.626 . 0 0 "[ . 1 . 2]" 1
481 1 90 THR H 1 93 GLU HB3 3.910 . 3.910 3.860 3.674 3.942 0.032 7 0 "[ . 1 . 2]" 1
482 1 58 LEU HG 1 90 THR H 5.580 . 5.580 5.450 5.308 5.589 0.009 15 0 "[ . 1 . 2]" 1
483 1 90 THR H 1 90 THR MG 3.450 . 3.450 2.662 2.576 2.746 . 0 0 "[ . 1 . 2]" 1
484 1 90 THR H 1 94 LEU MD1 4.860 . 4.860 4.248 4.156 4.348 . 0 0 "[ . 1 . 2]" 1
485 1 60 LYS H 1 60 LYS QB 3.390 . 3.390 2.575 2.449 2.760 . 0 0 "[ . 1 . 2]" 1
486 1 60 LYS H 1 60 LYS QD 4.200 . 4.200 3.665 3.067 4.272 0.072 18 0 "[ . 1 . 2]" 1
487 1 59 LYS QD 1 60 LYS H 3.450 . 3.450 2.451 2.139 3.229 . 0 0 "[ . 1 . 2]" 1
488 1 60 LYS H 1 61 LEU HB3 4.960 . 4.960 4.705 4.644 4.808 . 0 0 "[ . 1 . 2]" 1
489 1 59 LYS HG2 1 60 LYS H 4.590 . 4.590 3.663 3.486 3.799 . 0 0 "[ . 1 . 2]" 1
490 1 90 THR HB 1 94 LEU H 5.680 . 5.680 5.137 5.008 5.304 . 0 0 "[ . 1 . 2]" 1
491 1 93 GLU HB2 1 94 LEU H 3.410 . 3.410 2.830 2.699 2.930 . 0 0 "[ . 1 . 2]" 1
492 1 93 GLU HB3 1 94 LEU H 3.590 . 3.590 3.503 3.319 3.596 0.006 1 0 "[ . 1 . 2]" 1
493 1 94 LEU H 1 94 LEU HG 2.900 . 2.900 2.561 2.498 2.611 . 0 0 "[ . 1 . 2]" 1
494 1 94 LEU H 1 94 LEU MD2 3.340 . 3.340 2.569 2.482 2.651 . 0 0 "[ . 1 . 2]" 1
495 1 61 LEU H 1 62 LYS H 3.360 . 3.360 2.587 2.503 2.689 . 0 0 "[ . 1 . 2]" 1
496 1 62 LYS H 1 64 SER QB 4.680 . 4.680 4.694 4.635 4.738 0.058 13 0 "[ . 1 . 2]" 1
497 1 62 LYS H 1 62 LYS QE 4.720 . 4.720 4.622 4.271 4.794 0.074 2 0 "[ . 1 . 2]" 1
498 1 62 LYS H 1 63 GLU HG3 4.780 . 4.780 4.754 4.095 5.030 0.250 20 0 "[ . 1 . 2]" 1
499 1 62 LYS H 1 63 GLU QB 5.180 . 5.180 5.135 5.003 5.210 0.030 1 0 "[ . 1 . 2]" 1
500 1 62 LYS H 1 62 LYS QD 3.520 . 3.520 3.371 3.126 3.527 0.007 3 0 "[ . 1 . 2]" 1
501 1 62 LYS H 1 62 LYS QG 3.800 . 3.800 1.809 1.752 2.071 0.048 19 0 "[ . 1 . 2]" 1
502 1 92 LYS H 1 96 MET H 4.900 . 4.900 4.707 4.636 4.757 . 0 0 "[ . 1 . 2]" 1
503 1 96 MET H 1 97 GLU HA 5.250 . 5.250 5.038 4.984 5.103 . 0 0 "[ . 1 . 2]" 1
504 1 91 PRO QB 1 96 MET H 4.250 . 4.250 3.955 3.853 4.072 . 0 0 "[ . 1 . 2]" 1
505 1 54 MET ME 1 96 MET H 3.520 . 3.520 3.353 3.184 3.534 0.014 7 0 "[ . 1 . 2]" 1
506 1 96 MET H 1 96 MET QB 3.480 . 3.480 2.408 2.370 2.443 . 0 0 "[ . 1 . 2]" 1
507 1 94 LEU MD2 1 96 MET H 5.870 . 5.870 5.701 5.596 5.776 . 0 0 "[ . 1 . 2]" 1
508 1 94 LEU HA 1 95 GLY H 3.450 . 3.450 3.273 3.218 3.335 . 0 0 "[ . 1 . 2]" 1
509 1 93 GLU HB2 1 95 GLY H 4.820 . 4.820 4.776 4.698 4.824 0.004 15 0 "[ . 1 . 2]" 1
510 1 54 MET ME 1 95 GLY H 5.290 . 5.290 4.707 4.529 4.879 . 0 0 "[ . 1 . 2]" 1
511 1 95 GLY H 1 96 MET ME 5.680 . 5.680 5.075 4.938 5.248 . 0 0 "[ . 1 . 2]" 1
512 1 95 GLY H 1 96 MET QB 4.450 . 4.450 4.519 4.467 4.558 0.108 9 0 "[ . 1 . 2]" 1
513 1 94 LEU MD2 1 95 GLY H 4.290 . 4.290 4.222 4.190 4.247 . 0 0 "[ . 1 . 2]" 1
514 1 70 GLY H 1 71 VAL H 2.980 . 2.980 2.382 2.326 2.430 . 0 0 "[ . 1 . 2]" 1
515 1 71 VAL H 1 72 PRO HA 5.060 . 5.060 5.069 4.966 5.119 0.059 17 0 "[ . 1 . 2]" 1
516 1 70 GLY QA 1 71 VAL H 2.910 . 2.910 2.791 2.731 2.821 . 0 0 "[ . 1 . 2]" 1
517 1 69 GLN QB 1 71 VAL H 3.900 . 3.900 2.999 2.917 3.129 . 0 0 "[ . 1 . 2]" 1
518 1 71 VAL H 1 71 VAL MG2 2.790 . 2.790 2.226 2.172 2.314 . 0 0 "[ . 1 . 2]" 1
519 1 88 ASN H 1 88 ASN HD22 5.040 . 5.040 3.326 3.247 3.427 . 0 0 "[ . 1 . 2]" 1
520 1 88 ASN H 1 89 HIS HB2 4.800 . 4.800 4.129 4.037 4.213 . 0 0 "[ . 1 . 2]" 1
521 1 86 ALA MB 1 88 ASN H 3.250 . 3.250 2.498 2.389 2.569 . 0 0 "[ . 1 . 2]" 1
522 1 41 ILE H 1 104 VAL H 4.000 . 4.000 3.647 3.555 3.733 . 0 0 "[ . 1 . 2]" 1
523 1 103 GLU H 1 104 VAL H 4.590 . 4.590 4.457 4.422 4.475 . 0 0 "[ . 1 . 2]" 1
524 1 103 GLU HA 1 104 VAL H 2.720 . 2.720 2.212 2.167 2.236 . 0 0 "[ . 1 . 2]" 1
525 1 42 GLY QA 1 104 VAL H 4.450 . 4.450 3.883 3.580 4.069 . 0 0 "[ . 1 . 2]" 1
526 1 103 GLU HG2 1 104 VAL H 4.260 . 4.260 4.260 3.962 4.335 0.075 16 0 "[ . 1 . 2]" 1
527 1 104 VAL H 1 104 VAL HB 3.330 . 3.330 2.629 2.588 2.669 . 0 0 "[ . 1 . 2]" 1
528 1 40 VAL MG1 1 104 VAL H 4.110 . 4.110 4.019 3.923 4.137 0.027 9 0 "[ . 1 . 2]" 1
529 1 104 VAL H 1 104 VAL MG1 3.950 . 3.950 3.843 3.816 3.865 . 0 0 "[ . 1 . 2]" 1
530 1 104 VAL H 1 104 VAL MG2 3.360 . 3.360 2.758 2.701 2.845 . 0 0 "[ . 1 . 2]" 1
531 1 69 GLN H 1 69 GLN QG 3.420 . 3.420 2.521 2.386 2.698 . 0 0 "[ . 1 . 2]" 1
532 1 48 ILE MD 1 69 GLN H 4.190 . 4.190 3.778 3.477 4.032 . 0 0 "[ . 1 . 2]" 1
533 1 73 MET H 1 75 SER H 4.600 . 4.600 4.242 4.155 4.323 . 0 0 "[ . 1 . 2]" 1
534 1 74 ASN H 1 75 SER H 3.450 . 3.450 2.290 2.177 2.379 . 0 0 "[ . 1 . 2]" 1
535 1 75 SER H 1 76 LEU H 2.980 . 2.980 2.360 2.291 2.447 . 0 0 "[ . 1 . 2]" 1
536 1 75 SER H 1 76 LEU HA 5.240 . 5.240 5.011 4.960 5.054 . 0 0 "[ . 1 . 2]" 1
537 1 75 SER H 1 75 SER HB2 3.680 . 3.680 2.378 2.346 2.428 . 0 0 "[ . 1 . 2]" 1
538 1 75 SER H 1 75 SER HB3 3.710 . 3.710 3.585 3.562 3.612 . 0 0 "[ . 1 . 2]" 1
539 1 74 ASN HB2 1 75 SER H 4.170 . 4.170 4.090 4.035 4.161 . 0 0 "[ . 1 . 2]" 1
540 1 73 MET QG 1 75 SER H 5.580 . 5.580 5.382 5.305 5.463 . 0 0 "[ . 1 . 2]" 1
541 1 72 PRO QG 1 75 SER H 3.850 . 3.850 3.099 2.942 3.264 . 0 0 "[ . 1 . 2]" 1
542 1 67 GLN H 1 70 GLY H 4.880 . 4.880 4.682 4.580 4.749 . 0 0 "[ . 1 . 2]" 1
543 1 70 GLY H 1 71 VAL HA 5.260 . 5.260 5.060 5.012 5.097 . 0 0 "[ . 1 . 2]" 1
544 1 70 GLY H 1 70 GLY QA 2.660 . 2.660 2.218 2.208 2.229 . 0 0 "[ . 1 . 2]" 1
545 1 69 GLN QG 1 70 GLY H 4.210 . 4.210 4.306 4.274 4.338 0.128 7 0 "[ . 1 . 2]" 1
546 1 69 GLN QB 1 70 GLY H 3.700 . 3.700 2.955 2.903 2.975 . 0 0 "[ . 1 . 2]" 1
547 1 81 GLU H 1 83 GLN H 4.430 . 4.430 4.243 4.187 4.281 . 0 0 "[ . 1 . 2]" 1
548 1 82 GLY H 1 83 GLN H 2.990 . 2.990 2.441 2.382 2.483 . 0 0 "[ . 1 . 2]" 1
549 1 93 GLU H 1 95 GLY H 3.760 . 3.760 3.766 3.704 3.826 0.066 15 0 "[ . 1 . 2]" 1
550 1 93 GLU H 1 94 LEU H 3.250 . 3.250 2.516 2.460 2.575 . 0 0 "[ . 1 . 2]" 1
551 1 83 GLN H 1 83 GLN HE22 5.890 . 5.890 5.526 5.429 5.659 . 0 0 "[ . 1 . 2]" 1
552 1 64 SER HA 1 68 ARG H 4.650 . 4.650 4.351 4.244 4.427 . 0 0 "[ . 1 . 2]" 1
553 1 82 GLY HA2 1 83 GLN H 3.380 . 3.380 3.053 2.998 3.127 . 0 0 "[ . 1 . 2]" 1
554 1 92 LYS QE 1 93 GLU H 4.290 . 4.290 3.591 3.503 3.710 . 0 0 "[ . 1 . 2]" 1
555 1 83 GLN H 1 83 GLN HB3 3.040 . 3.040 2.810 2.742 2.858 . 0 0 "[ . 1 . 2]" 1
556 1 81 GLU HG3 1 83 GLN H 3.440 . 3.440 3.425 3.278 3.497 0.057 8 0 "[ . 1 . 2]" 1
557 1 81 GLU HG2 1 83 GLN H 4.100 . 4.100 4.079 3.957 4.139 0.039 8 0 "[ . 1 . 2]" 1
558 1 62 LYS H 1 64 SER H 4.540 . 4.540 3.949 3.906 3.989 . 0 0 "[ . 1 . 2]" 1
559 1 61 LEU H 1 64 SER H 4.970 . 4.970 4.503 4.475 4.545 . 0 0 "[ . 1 . 2]" 1
560 1 64 SER H 1 64 SER QB 2.960 . 2.960 2.237 2.161 2.278 . 0 0 "[ . 1 . 2]" 1
561 1 61 LEU HA 1 64 SER H 4.080 . 4.080 3.492 3.426 3.566 . 0 0 "[ . 1 . 2]" 1
562 1 63 GLU QB 1 64 SER H 3.650 . 3.650 3.522 3.454 3.580 . 0 0 "[ . 1 . 2]" 1
563 1 62 LYS QB 1 64 SER H 4.910 . 4.910 4.702 4.458 4.999 0.089 13 0 "[ . 1 . 2]" 1
564 1 61 LEU HB2 1 64 SER H 5.580 . 5.580 5.623 5.592 5.661 0.081 15 0 "[ . 1 . 2]" 1
565 1 65 TYR QD 1 68 ARG H 5.280 . 5.280 5.317 5.264 5.365 0.085 1 0 "[ . 1 . 2]" 1
566 1 44 ASP HA 1 45 SER H 3.320 . 3.320 3.117 3.056 3.243 . 0 0 "[ . 1 . 2]" 1
567 1 45 SER H 1 45 SER HA 2.620 . 2.620 2.258 2.239 2.276 . 0 0 "[ . 1 . 2]" 1
568 1 42 GLY QA 1 45 SER H 4.430 . 4.430 3.577 3.283 3.851 . 0 0 "[ . 1 . 2]" 1
569 1 44 ASP HB3 1 45 SER H 4.260 . 4.260 3.796 3.625 3.925 . 0 0 "[ . 1 . 2]" 1
570 1 43 GLN QG 1 45 SER H 5.690 . 5.690 5.292 5.187 5.438 . 0 0 "[ . 1 . 2]" 1
571 1 68 ARG H 1 68 ARG QG 3.130 . 3.130 2.304 2.068 2.481 . 0 0 "[ . 1 . 2]" 1
572 1 92 LYS H 1 95 GLY H 4.990 . 4.990 4.857 4.741 4.981 . 0 0 "[ . 1 . 2]" 1
573 1 90 THR HA 1 92 LYS H 4.600 . 4.600 4.255 4.146 4.342 . 0 0 "[ . 1 . 2]" 1
574 1 90 THR HB 1 92 LYS H 3.890 . 3.890 2.854 2.729 2.971 . 0 0 "[ . 1 . 2]" 1
575 1 54 MET HA 1 92 LYS H 4.310 . 4.310 3.777 3.495 3.924 . 0 0 "[ . 1 . 2]" 1
576 1 91 PRO QB 1 92 LYS H 3.570 . 3.570 2.641 2.511 3.222 . 0 0 "[ . 1 . 2]" 1
577 1 92 LYS H 1 92 LYS HB2 3.740 . 3.740 3.598 3.574 3.618 . 0 0 "[ . 1 . 2]" 1
578 1 92 LYS H 1 92 LYS HB3 3.280 . 3.280 2.619 2.566 2.770 . 0 0 "[ . 1 . 2]" 1
579 1 92 LYS H 1 92 LYS QG 3.570 . 3.570 2.126 2.001 2.302 . 0 0 "[ . 1 . 2]" 1
580 1 42 GLY H 1 46 SER H 3.850 . 3.850 3.046 2.617 3.450 . 0 0 "[ . 1 . 2]" 1
581 1 44 ASP HA 1 46 SER H 4.430 . 4.430 4.342 4.193 4.435 0.005 10 0 "[ . 1 . 2]" 1
582 1 45 SER QB 1 46 SER H 3.730 . 3.730 3.667 3.599 3.748 0.018 15 0 "[ . 1 . 2]" 1
583 1 46 SER H 1 46 SER HB2 3.050 . 3.050 2.504 2.284 3.373 0.323 15 0 "[ . 1 . 2]" 1
584 1 44 ASP HB2 1 46 SER H 4.510 . 4.510 4.498 4.320 4.591 0.081 8 0 "[ . 1 . 2]" 1
585 1 44 ASP HB3 1 46 SER H 4.480 . 4.480 3.086 2.761 3.276 . 0 0 "[ . 1 . 2]" 1
586 1 99 GLU H 1 100 ASP H 3.160 . 3.160 2.560 2.307 2.665 . 0 0 "[ . 1 . 2]" 1
587 1 98 GLU HA 1 100 ASP H 3.530 . 3.530 3.243 3.077 3.458 . 0 0 "[ . 1 . 2]" 1
588 1 99 GLU HA 1 100 ASP H 3.460 . 3.460 3.195 3.070 3.273 . 0 0 "[ . 1 . 2]" 1
589 1 100 ASP H 1 100 ASP HB2 3.190 . 3.190 2.188 2.114 2.273 . 0 0 "[ . 1 . 2]" 1
590 1 99 GLU QB 1 100 ASP H 3.660 . 3.660 3.509 3.394 3.642 . 0 0 "[ . 1 . 2]" 1
591 1 38 LEU HG 1 100 ASP H 4.280 . 4.280 3.150 3.024 3.252 . 0 0 "[ . 1 . 2]" 1
592 1 97 GLU H 1 101 VAL H 5.620 . 5.620 5.556 5.417 5.662 0.042 6 0 "[ . 1 . 2]" 1
593 1 100 ASP HA 1 101 VAL H 2.880 . 2.880 2.422 2.348 2.498 . 0 0 "[ . 1 . 2]" 1
594 1 100 ASP HB2 1 101 VAL H 3.860 . 3.860 3.991 3.938 4.080 0.220 12 0 "[ . 1 . 2]" 1
595 1 101 VAL H 1 101 VAL HB 3.350 . 3.350 3.139 3.090 3.185 . 0 0 "[ . 1 . 2]" 1
596 1 38 LEU HB3 1 101 VAL H 5.820 . 5.820 5.432 5.227 5.657 . 0 0 "[ . 1 . 2]" 1
597 1 101 VAL H 1 102 ILE QG 4.410 . 4.410 4.510 4.453 4.535 0.125 13 0 "[ . 1 . 2]" 1
598 1 28 GLY H 1 29 ASP H 3.430 . 3.430 2.547 1.877 3.238 . 0 0 "[ . 1 . 2]" 1
599 1 28 GLY QA 1 29 ASP H 2.770 . 2.770 2.634 2.366 2.860 0.090 6 0 "[ . 1 . 2]" 1
600 1 29 ASP H 1 29 ASP QB 2.800 . 2.800 2.390 2.202 2.673 . 0 0 "[ . 1 . 2]" 1
601 1 27 LEU HB3 1 29 ASP H 5.630 . 5.630 4.306 2.809 5.634 0.004 5 0 "[ . 1 . 2]" 1
602 1 29 ASP H 1 30 LYS QD 6.000 . 6.000 4.551 2.705 6.127 0.127 6 0 "[ . 1 . 2]" 1
603 1 17 ASP HA 1 18 GLN H 3.260 . 3.260 2.934 2.032 3.448 0.188 6 0 "[ . 1 . 2]" 1
604 1 18 GLN H 1 18 GLN QG 3.210 . 3.210 2.271 1.769 3.290 0.080 11 0 "[ . 1 . 2]" 1
605 1 23 SER QB 1 24 THR H 3.760 . 3.760 3.300 2.119 3.922 0.162 18 0 "[ . 1 . 2]" 1
606 1 67 GLN H 1 68 ARG H 3.200 . 3.200 2.642 2.584 2.708 . 0 0 "[ . 1 . 2]" 1
607 1 44 ASP H 1 45 SER H 3.120 . 3.120 2.460 2.305 2.676 . 0 0 "[ . 1 . 2]" 1
608 1 67 GLN H 1 69 GLN H 4.290 . 4.290 4.202 4.078 4.300 0.010 5 0 "[ . 1 . 2]" 1
609 1 67 GLN H 1 71 VAL H 5.150 . 5.150 5.174 5.148 5.196 0.046 2 0 "[ . 1 . 2]" 1
610 1 43 GLN HA 1 44 ASP H 3.410 . 3.410 3.416 3.382 3.467 0.057 8 0 "[ . 1 . 2]" 1
611 1 66 CYS HB2 1 67 GLN H 3.690 . 3.690 2.602 2.521 2.684 . 0 0 "[ . 1 . 2]" 1
612 1 66 CYS HB3 1 67 GLN H 3.610 . 3.610 3.485 3.422 3.516 . 0 0 "[ . 1 . 2]" 1
613 1 44 ASP H 1 44 ASP HB2 3.490 . 3.490 2.677 2.523 2.788 . 0 0 "[ . 1 . 2]" 1
614 1 44 ASP H 1 44 ASP HB3 3.420 . 3.420 2.565 2.356 2.718 . 0 0 "[ . 1 . 2]" 1
615 1 67 GLN H 1 67 GLN HG2 3.270 . 3.270 2.160 2.043 2.332 . 0 0 "[ . 1 . 2]" 1
616 1 67 GLN H 1 67 GLN QB 2.930 . 2.930 2.562 2.389 2.663 . 0 0 "[ . 1 . 2]" 1
617 1 97 GLU QG 1 98 GLU H 3.100 . 3.100 2.952 2.521 3.145 0.045 7 0 "[ . 1 . 2]" 1
618 1 97 GLU HB2 1 98 GLU H 2.820 . 2.820 1.963 1.788 2.104 0.012 11 0 "[ . 1 . 2]" 1
619 1 98 GLU H 1 98 GLU HB3 3.010 . 3.010 2.625 2.526 2.727 . 0 0 "[ . 1 . 2]" 1
620 1 48 ILE MG 1 67 GLN H 5.710 . 5.710 5.752 5.664 5.798 0.088 3 0 "[ . 1 . 2]" 1
621 1 36 ILE MD 1 98 GLU H 4.010 . 4.010 3.559 3.386 3.729 . 0 0 "[ . 1 . 2]" 1
622 1 24 THR MG 1 25 GLU H 3.680 . 3.680 3.120 2.513 3.688 0.008 16 0 "[ . 1 . 2]" 1
623 1 29 ASP HA 1 30 LYS H 2.910 . 2.910 2.366 2.086 3.369 0.459 12 0 "[ . 1 . 2]" 1
624 1 31 LYS H 1 31 LYS QG 3.510 . 3.510 2.986 1.956 4.037 0.527 3 1 "[ + . 1 . 2]" 1
625 1 27 LEU H 1 28 GLY QA 4.710 . 4.710 4.560 3.754 4.960 0.250 20 0 "[ . 1 . 2]" 1
626 1 108 GLN H 1 109 THR H 4.660 . 4.660 4.470 4.261 4.571 . 0 0 "[ . 1 . 2]" 1
627 1 108 GLN HA 1 109 THR H 2.890 . 2.890 2.882 2.676 3.016 0.126 15 0 "[ . 1 . 2]" 1
628 1 109 THR H 1 109 THR HB 3.850 . 3.850 3.357 2.859 3.600 . 0 0 "[ . 1 . 2]" 1
629 1 108 GLN QG 1 109 THR H 4.330 . 4.330 3.682 3.560 3.796 . 0 0 "[ . 1 . 2]" 1
630 1 77 ARG H 1 107 GLU H 4.460 . 4.460 4.161 3.745 4.473 0.013 10 0 "[ . 1 . 2]" 1
631 1 106 GLN H 1 107 GLU H 4.620 . 4.620 4.487 4.382 4.555 . 0 0 "[ . 1 . 2]" 1
632 1 76 LEU H 1 107 GLU H 4.650 . 4.650 4.371 4.221 4.549 . 0 0 "[ . 1 . 2]" 1
633 1 76 LEU HA 1 107 GLU H 3.460 . 3.460 2.344 2.161 2.469 . 0 0 "[ . 1 . 2]" 1
634 1 107 GLU H 1 107 GLU QG 3.230 . 3.230 2.395 2.184 2.541 . 0 0 "[ . 1 . 2]" 1
635 1 107 GLU H 1 107 GLU HB2 3.910 . 3.910 3.848 3.738 3.924 0.014 10 0 "[ . 1 . 2]" 1
636 1 107 GLU H 1 107 GLU HB3 3.410 . 3.410 3.238 3.067 3.368 . 0 0 "[ . 1 . 2]" 1
637 1 72 PRO HA 1 74 ASN H 4.120 . 4.120 3.851 3.778 3.984 . 0 0 "[ . 1 . 2]" 1
638 1 74 ASN H 1 74 ASN HB2 3.650 . 3.650 3.617 3.584 3.647 . 0 0 "[ . 1 . 2]" 1
639 1 73 MET QG 1 74 ASN H 4.280 . 4.280 4.167 4.101 4.376 0.096 3 0 "[ . 1 . 2]" 1
640 1 28 GLY H 1 28 GLY QA 2.510 . 2.510 2.341 2.208 2.481 . 0 0 "[ . 1 . 2]" 1
641 1 32 GLU QG 1 33 GLY H 4.320 . 4.320 3.668 2.892 4.434 0.114 6 0 "[ . 1 . 2]" 1
642 1 27 LEU HB2 1 28 GLY H 3.800 . 3.800 2.851 1.977 4.046 0.246 15 0 "[ . 1 . 2]" 1
643 1 41 ILE H 1 42 GLY H 4.270 . 4.270 4.187 3.975 4.288 0.018 2 0 "[ . 1 . 2]" 1
644 1 42 GLY H 1 43 GLN H 4.700 . 4.700 4.478 4.422 4.537 . 0 0 "[ . 1 . 2]" 1
645 1 41 ILE HA 1 42 GLY H 2.860 . 2.860 2.189 2.119 2.321 . 0 0 "[ . 1 . 2]" 1
646 1 42 GLY H 1 45 SER HA 4.740 . 4.740 3.720 3.001 4.455 . 0 0 "[ . 1 . 2]" 1
647 1 41 ILE HB 1 42 GLY H 4.650 . 4.650 4.343 4.183 4.523 . 0 0 "[ . 1 . 2]" 1
648 1 42 GLY H 1 104 VAL MG1 5.250 . 5.250 5.114 4.794 5.265 0.015 16 0 "[ . 1 . 2]" 1
649 1 42 GLY H 1 104 VAL MG2 4.810 . 4.810 4.664 4.233 4.844 0.034 8 0 "[ . 1 . 2]" 1
650 1 63 GLU H 1 65 TYR H 4.510 . 4.510 4.305 4.255 4.334 . 0 0 "[ . 1 . 2]" 1
651 1 63 GLU H 1 64 SER H 3.510 . 3.510 2.499 2.443 2.540 . 0 0 "[ . 1 . 2]" 1
652 1 62 LYS H 1 63 GLU H 3.470 . 3.470 2.739 2.711 2.781 . 0 0 "[ . 1 . 2]" 1
653 1 61 LEU H 1 63 GLU H 4.260 . 4.260 4.099 4.073 4.166 . 0 0 "[ . 1 . 2]" 1
654 1 59 LYS HA 1 63 GLU H 4.300 . 4.300 4.101 3.900 4.202 . 0 0 "[ . 1 . 2]" 1
655 1 62 LYS QB 1 63 GLU H 3.490 . 3.490 2.833 2.317 3.424 . 0 0 "[ . 1 . 2]" 1
656 1 61 LEU MD2 1 63 GLU H 4.860 . 4.860 4.785 4.690 4.869 0.009 15 0 "[ . 1 . 2]" 1
657 1 62 LYS QG 1 63 GLU H 4.360 . 4.360 3.146 2.318 4.060 . 0 0 "[ . 1 . 2]" 1
658 1 57 HIS H 1 59 LYS H 5.130 . 5.130 4.932 4.796 5.047 . 0 0 "[ . 1 . 2]" 1
659 1 32 GLU H 1 33 GLY QA 5.170 . 5.170 4.634 4.003 5.192 0.022 9 0 "[ . 1 . 2]" 1
660 1 32 GLU H 1 32 GLU QG 3.160 . 3.160 2.482 1.745 3.233 0.073 3 0 "[ . 1 . 2]" 1
661 1 31 LYS QB 1 32 GLU H 3.130 . 3.130 2.481 1.737 3.371 0.241 15 0 "[ . 1 . 2]" 1
662 1 109 THR HB 1 110 GLY H 4.280 . 4.280 3.949 3.561 4.357 0.077 8 0 "[ . 1 . 2]" 1
663 1 59 LYS H 1 60 LYS H 4.180 . 4.180 2.890 2.817 3.028 . 0 0 "[ . 1 . 2]" 1
664 1 57 HIS HB2 1 59 LYS H 4.360 . 4.360 3.522 3.311 3.730 . 0 0 "[ . 1 . 2]" 1
665 1 59 LYS H 1 59 LYS HB3 3.530 . 3.530 2.535 2.471 2.740 . 0 0 "[ . 1 . 2]" 1
666 1 59 LYS H 1 85 ILE MG 5.000 . 5.000 4.886 4.793 5.040 0.040 13 0 "[ . 1 . 2]" 1
667 1 77 ARG H 1 105 TYR H 3.650 . 3.650 2.699 2.523 2.934 . 0 0 "[ . 1 . 2]" 1
668 1 104 VAL H 1 105 TYR H 4.530 . 4.530 4.334 4.308 4.355 . 0 0 "[ . 1 . 2]" 1
669 1 105 TYR H 1 105 TYR QE 5.460 . 5.460 5.108 5.025 5.191 . 0 0 "[ . 1 . 2]" 1
670 1 76 LEU HA 1 105 TYR H 5.040 . 5.040 4.857 4.654 5.003 . 0 0 "[ . 1 . 2]" 1
671 1 104 VAL HA 1 105 TYR H 2.870 . 2.870 2.155 2.118 2.187 . 0 0 "[ . 1 . 2]" 1
672 1 105 TYR H 1 105 TYR HB2 3.880 . 3.880 2.545 2.479 2.602 . 0 0 "[ . 1 . 2]" 1
673 1 77 ARG QG 1 105 TYR H 4.340 . 4.340 3.914 2.792 4.388 0.048 15 0 "[ . 1 . 2]" 1
674 1 104 VAL HB 1 105 TYR H 4.170 . 4.170 4.069 4.027 4.122 . 0 0 "[ . 1 . 2]" 1
675 1 104 VAL MG2 1 105 TYR H 3.980 . 3.980 3.929 3.872 3.978 . 0 0 "[ . 1 . 2]" 1
676 1 35 TYR HA 1 54 MET H 3.970 . 3.970 3.469 3.242 3.745 . 0 0 "[ . 1 . 2]" 1
677 1 53 LYS QD 1 54 MET H 3.850 . 3.850 3.855 2.298 4.363 0.513 11 1 "[ . 1+ . 2]" 1
678 1 23 SER H 1 23 SER QB 3.300 . 3.300 2.764 2.266 3.381 0.081 18 0 "[ . 1 . 2]" 1
679 1 22 PRO HB2 1 23 SER H 3.900 . 3.900 3.330 1.876 4.114 0.214 7 0 "[ . 1 . 2]" 1
680 1 36 ILE H 1 37 LYS H 4.580 . 4.580 4.419 4.381 4.464 . 0 0 "[ . 1 . 2]" 1
681 1 36 ILE HA 1 37 LYS H 3.100 . 3.100 2.479 2.457 2.508 . 0 0 "[ . 1 . 2]" 1
682 1 37 LYS H 1 99 GLU QB 5.200 . 5.200 5.050 4.430 5.351 0.151 12 0 "[ . 1 . 2]" 1
683 1 37 LYS H 1 98 GLU HB2 4.410 . 4.410 2.701 2.275 3.205 . 0 0 "[ . 1 . 2]" 1
684 1 37 LYS H 1 98 GLU HB3 4.430 . 4.430 3.367 2.981 3.859 . 0 0 "[ . 1 . 2]" 1
685 1 36 ILE HB 1 37 LYS H 3.290 . 3.290 2.186 2.086 2.252 . 0 0 "[ . 1 . 2]" 1
686 1 36 ILE H 1 53 LYS H 5.100 . 5.100 4.516 4.394 4.652 . 0 0 "[ . 1 . 2]" 1
687 1 46 SER H 1 47 GLU H 4.460 . 4.460 4.339 4.132 4.471 0.011 13 0 "[ . 1 . 2]" 1
688 1 47 GLU H 1 47 GLU HB2 3.230 . 3.230 2.528 2.417 2.836 . 0 0 "[ . 1 . 2]" 1
689 1 47 GLU H 1 47 GLU HB3 3.670 . 3.670 3.627 3.571 3.650 . 0 0 "[ . 1 . 2]" 1
690 1 52 VAL MG1 1 53 LYS H 3.800 . 3.800 3.768 3.659 3.844 0.044 15 0 "[ . 1 . 2]" 1
691 1 39 LYS H 1 99 GLU H 6.000 . 6.000 5.515 5.317 5.817 . 0 0 "[ . 1 . 2]" 1
692 1 39 LYS H 1 40 VAL H 4.640 . 4.640 4.340 4.318 4.366 . 0 0 "[ . 1 . 2]" 1
693 1 38 LEU H 1 39 LYS H 4.650 . 4.650 4.425 4.394 4.453 . 0 0 "[ . 1 . 2]" 1
694 1 38 LEU HA 1 39 LYS H 3.010 . 3.010 2.353 2.267 2.401 . 0 0 "[ . 1 . 2]" 1
695 1 39 LYS H 1 99 GLU HA 5.150 . 5.150 4.712 4.424 5.040 . 0 0 "[ . 1 . 2]" 1
696 1 39 LYS H 1 39 LYS QE 5.290 . 5.290 4.290 4.098 4.542 . 0 0 "[ . 1 . 2]" 1
697 1 39 LYS H 1 100 ASP HB3 5.590 . 5.590 4.680 4.526 4.787 . 0 0 "[ . 1 . 2]" 1
698 1 39 LYS H 1 39 LYS HB2 3.430 . 3.430 3.137 3.080 3.195 . 0 0 "[ . 1 . 2]" 1
699 1 39 LYS H 1 39 LYS HB3 3.400 . 3.400 2.734 2.679 2.807 . 0 0 "[ . 1 . 2]" 1
700 1 38 LEU HB3 1 39 LYS H 3.730 . 3.730 2.372 2.250 2.549 . 0 0 "[ . 1 . 2]" 1
701 1 38 LEU QD 1 39 LYS H 3.630 . 3.630 3.582 3.259 3.675 0.045 7 0 "[ . 1 . 2]" 1
702 1 39 LYS H 1 102 ILE MD 4.080 . 4.080 3.005 2.890 3.368 . 0 0 "[ . 1 . 2]" 1
703 1 66 CYS H 1 67 GLN H 3.260 . 3.260 2.680 2.603 2.788 . 0 0 "[ . 1 . 2]" 1
704 1 66 CYS H 1 69 GLN HE22 4.560 . 4.560 4.354 4.270 4.452 . 0 0 "[ . 1 . 2]" 1
705 1 64 SER HA 1 66 CYS H 4.440 . 4.440 4.441 4.386 4.488 0.048 6 0 "[ . 1 . 2]" 1
706 1 66 CYS H 1 73 MET QG 5.210 . 5.210 4.413 4.280 5.030 . 0 0 "[ . 1 . 2]" 1
707 1 40 VAL H 1 48 ILE H 3.570 . 3.570 2.810 2.712 2.866 . 0 0 "[ . 1 . 2]" 1
708 1 37 LYS H 1 38 LEU H 4.730 . 4.730 4.405 4.370 4.443 . 0 0 "[ . 1 . 2]" 1
709 1 48 ILE H 1 49 HIS HD2 4.320 . 4.320 3.843 3.598 3.942 . 0 0 "[ . 1 . 2]" 1
710 1 48 ILE H 1 49 HIS HA 5.050 . 5.050 5.038 4.970 5.076 0.026 16 0 "[ . 1 . 2]" 1
711 1 47 GLU HA 1 48 ILE H 2.830 . 2.830 2.125 2.083 2.179 . 0 0 "[ . 1 . 2]" 1
712 1 40 VAL HB 1 48 ILE H 3.720 . 3.720 3.431 3.309 3.585 . 0 0 "[ . 1 . 2]" 1
713 1 48 ILE H 1 48 ILE HB 3.360 . 3.360 2.602 2.558 2.650 . 0 0 "[ . 1 . 2]" 1
714 1 39 LYS QD 1 48 ILE H 3.710 . 3.710 3.655 3.388 3.828 0.118 12 0 "[ . 1 . 2]" 1
715 1 48 ILE H 1 48 ILE MG 3.960 . 3.960 3.819 3.790 3.840 . 0 0 "[ . 1 . 2]" 1
716 1 40 VAL MG2 1 48 ILE H 5.060 . 5.060 4.771 4.703 4.870 . 0 0 "[ . 1 . 2]" 1
717 1 48 ILE QG 1 49 HIS H 4.880 . 4.880 4.679 4.635 4.767 . 0 0 "[ . 1 . 2]" 1
718 1 77 ARG H 1 106 GLN H 4.540 . 4.540 4.524 4.382 4.671 0.131 10 0 "[ . 1 . 2]" 1
719 1 76 LEU HA 1 106 GLN H 4.780 . 4.780 4.770 4.714 4.843 0.063 6 0 "[ . 1 . 2]" 1
720 1 105 TYR HA 1 106 GLN H 2.660 . 2.660 2.562 2.440 2.656 . 0 0 "[ . 1 . 2]" 1
721 1 105 TYR HB2 1 106 GLN H 3.480 . 3.480 3.434 3.303 3.578 0.098 13 0 "[ . 1 . 2]" 1
722 1 86 ALA H 1 87 ASP H 4.580 . 4.580 4.505 4.480 4.528 . 0 0 "[ . 1 . 2]" 1
723 1 87 ASP H 1 88 ASN H 3.580 . 3.580 2.549 2.454 2.637 . 0 0 "[ . 1 . 2]" 1
724 1 87 ASP H 1 89 HIS H 4.490 . 4.490 3.962 3.904 4.023 . 0 0 "[ . 1 . 2]" 1
725 1 86 ALA HA 1 87 ASP H 3.190 . 3.190 2.405 2.370 2.436 . 0 0 "[ . 1 . 2]" 1
726 1 42 GLY QA 1 43 GLN H 3.070 . 3.070 2.198 2.152 2.233 . 0 0 "[ . 1 . 2]" 1
727 1 87 ASP H 1 87 ASP QB 3.230 . 3.230 2.472 2.309 2.592 . 0 0 "[ . 1 . 2]" 1
728 1 43 GLN H 1 43 GLN QG 2.990 . 2.990 1.942 1.718 2.430 0.082 15 0 "[ . 1 . 2]" 1
729 1 43 GLN H 1 76 LEU HB2 5.000 . 5.000 4.719 4.217 5.044 0.044 14 0 "[ . 1 . 2]" 1
730 1 43 GLN H 1 104 VAL HB 3.920 . 3.920 3.376 3.104 3.735 . 0 0 "[ . 1 . 2]" 1
731 1 86 ALA MB 1 87 ASP H 3.120 . 3.120 2.375 2.281 2.445 . 0 0 "[ . 1 . 2]" 1
732 1 57 HIS H 1 58 LEU H 4.960 . 4.960 4.530 4.508 4.551 . 0 0 "[ . 1 . 2]" 1
733 1 56 THR HA 1 57 HIS H 3.450 . 3.450 2.483 2.406 2.574 . 0 0 "[ . 1 . 2]" 1
734 1 57 HIS H 1 57 HIS HB2 4.020 . 4.020 2.324 2.256 2.375 . 0 0 "[ . 1 . 2]" 1
735 1 83 GLN H 1 84 ARG H 4.470 . 4.470 4.349 4.319 4.388 . 0 0 "[ . 1 . 2]" 1
736 1 83 GLN HA 1 84 ARG H 2.780 . 2.780 2.235 2.202 2.249 . 0 0 "[ . 1 . 2]" 1
737 1 84 ARG H 1 84 ARG QD 4.180 . 4.180 2.761 1.763 4.175 0.037 8 0 "[ . 1 . 2]" 1
738 1 83 GLN HB2 1 84 ARG H 3.460 . 3.460 3.380 3.288 3.451 . 0 0 "[ . 1 . 2]" 1
739 1 84 ARG H 1 84 ARG QB 2.890 . 2.890 2.439 2.245 2.577 . 0 0 "[ . 1 . 2]" 1
740 1 64 SER H 1 65 TYR H 3.500 . 3.500 2.708 2.685 2.742 . 0 0 "[ . 1 . 2]" 1
741 1 106 GLN HE22 1 108 GLN H 4.950 . 4.950 4.729 4.541 4.949 . 0 0 "[ . 1 . 2]" 1
742 1 64 SER QB 1 65 TYR H 3.130 . 3.130 2.622 2.499 2.780 . 0 0 "[ . 1 . 2]" 1
743 1 61 LEU HA 1 65 TYR H 4.390 . 4.390 4.125 4.015 4.225 . 0 0 "[ . 1 . 2]" 1
744 1 65 TYR H 1 65 TYR HB2 3.620 . 3.620 3.633 3.613 3.650 0.030 19 0 "[ . 1 . 2]" 1
745 1 50 PHE HB3 1 65 TYR H 5.590 . 5.590 5.583 5.342 5.691 0.101 12 0 "[ . 1 . 2]" 1
746 1 65 TYR H 1 67 GLN HG2 5.820 . 5.820 4.413 4.272 4.706 . 0 0 "[ . 1 . 2]" 1
747 1 106 GLN QG 1 108 GLN H 4.930 . 4.930 1.875 1.757 2.045 0.043 15 0 "[ . 1 . 2]" 1
748 1 61 LEU HB3 1 65 TYR H 6.000 . 6.000 5.755 5.640 5.854 . 0 0 "[ . 1 . 2]" 1
749 1 40 VAL MG2 1 65 TYR H 5.380 . 5.380 5.067 4.986 5.152 . 0 0 "[ . 1 . 2]" 1
750 1 102 ILE H 1 103 GLU H 4.700 . 4.700 4.498 4.465 4.523 . 0 0 "[ . 1 . 2]" 1
751 1 80 PHE HB2 1 103 GLU H 4.880 . 4.880 3.747 3.398 3.920 . 0 0 "[ . 1 . 2]" 1
752 1 102 ILE MG 1 103 GLU H 3.170 . 3.170 2.019 1.948 2.085 . 0 0 "[ . 1 . 2]" 1
753 1 81 GLU H 1 82 GLY H 3.390 . 3.390 2.872 2.809 2.916 . 0 0 "[ . 1 . 2]" 1
754 1 80 PHE QD 1 82 GLY H 5.270 . 5.270 5.242 5.195 5.271 0.001 11 0 "[ . 1 . 2]" 1
755 1 80 PHE HA 1 82 GLY H 4.030 . 4.030 3.593 3.547 3.630 . 0 0 "[ . 1 . 2]" 1
756 1 82 GLY H 1 83 GLN HA 5.250 . 5.250 5.105 5.048 5.142 . 0 0 "[ . 1 . 2]" 1
757 1 82 GLY H 1 82 GLY HA3 2.930 . 2.930 2.880 2.862 2.898 . 0 0 "[ . 1 . 2]" 1
758 1 82 GLY H 1 83 GLN QG 4.840 . 4.840 4.652 4.581 4.721 . 0 0 "[ . 1 . 2]" 1
759 1 81 GLU HB2 1 82 GLY H 4.600 . 4.600 4.530 4.508 4.570 . 0 0 "[ . 1 . 2]" 1
760 1 79 LEU MD1 1 82 GLY H 4.730 . 4.730 4.556 4.482 4.625 . 0 0 "[ . 1 . 2]" 1
761 1 78 PHE H 1 79 LEU H 4.770 . 4.770 4.331 4.290 4.378 . 0 0 "[ . 1 . 2]" 1
762 1 78 PHE H 1 78 PHE HB2 3.640 . 3.640 3.499 3.464 3.552 . 0 0 "[ . 1 . 2]" 1
763 1 78 PHE H 1 78 PHE HB3 3.720 . 3.720 3.328 3.266 3.445 . 0 0 "[ . 1 . 2]" 1
764 1 76 LEU QD 1 78 PHE H 4.320 . 4.320 3.827 3.547 4.261 . 0 0 "[ . 1 . 2]" 1
765 1 78 PHE H 1 104 VAL MG1 4.830 . 4.830 4.235 4.039 4.373 . 0 0 "[ . 1 . 2]" 1
766 1 38 LEU H 1 49 HIS HA 5.010 . 5.010 4.827 4.693 5.019 0.009 4 0 "[ . 1 . 2]" 1
767 1 37 LYS HB2 1 38 LEU H 3.920 . 3.920 3.896 3.759 3.948 0.028 16 0 "[ . 1 . 2]" 1
768 1 38 LEU H 1 38 LEU HB2 3.550 . 3.550 2.758 2.733 2.793 . 0 0 "[ . 1 . 2]" 1
769 1 37 LYS QG 1 38 LEU H 4.420 . 4.420 4.226 4.054 4.379 . 0 0 "[ . 1 . 2]" 1
770 1 38 LEU H 1 61 LEU HG 6.000 . 6.000 5.923 5.677 6.045 0.045 8 0 "[ . 1 . 2]" 1
771 1 79 LEU H 1 80 PHE H 4.630 . 4.630 4.384 4.373 4.404 . 0 0 "[ . 1 . 2]" 1
772 1 80 PHE H 1 81 GLU H 4.590 . 4.590 4.222 4.175 4.259 . 0 0 "[ . 1 . 2]" 1
773 1 80 PHE H 1 83 GLN H 3.490 . 3.490 2.508 2.432 2.630 . 0 0 "[ . 1 . 2]" 1
774 1 80 PHE H 1 80 PHE QD 4.480 . 4.480 4.317 4.281 4.347 . 0 0 "[ . 1 . 2]" 1
775 1 76 LEU H 1 77 ARG H 4.630 . 4.630 4.417 4.357 4.459 . 0 0 "[ . 1 . 2]" 1
776 1 79 LEU HA 1 80 PHE H 3.020 . 3.020 2.380 2.338 2.444 . 0 0 "[ . 1 . 2]" 1
777 1 76 LEU HA 1 77 ARG H 3.170 . 3.170 2.382 2.213 2.493 . 0 0 "[ . 1 . 2]" 1
778 1 77 ARG H 1 104 VAL HA 4.580 . 4.580 4.270 4.099 4.567 . 0 0 "[ . 1 . 2]" 1
779 1 77 ARG H 1 106 GLN HA 3.980 . 3.980 3.384 3.215 3.617 . 0 0 "[ . 1 . 2]" 1
780 1 80 PHE H 1 84 ARG HA 4.230 . 4.230 3.805 3.604 3.971 . 0 0 "[ . 1 . 2]" 1
781 1 80 PHE H 1 80 PHE HB2 3.830 . 3.830 3.365 3.323 3.417 . 0 0 "[ . 1 . 2]" 1
782 1 80 PHE H 1 80 PHE HB3 3.830 . 3.830 2.796 2.756 2.839 . 0 0 "[ . 1 . 2]" 1
783 1 77 ARG H 1 105 TYR HB3 4.700 . 4.700 4.595 4.319 4.773 0.073 10 0 "[ . 1 . 2]" 1
784 1 80 PHE H 1 83 GLN HB2 5.130 . 5.130 5.012 4.987 5.040 . 0 0 "[ . 1 . 2]" 1
785 1 77 ARG H 1 107 GLU QG 4.560 . 4.560 3.681 3.278 3.878 . 0 0 "[ . 1 . 2]" 1
786 1 79 LEU HB2 1 80 PHE H 3.620 . 3.620 2.490 2.405 2.546 . 0 0 "[ . 1 . 2]" 1
787 1 76 LEU HB2 1 77 ARG H 3.420 . 3.420 2.250 2.063 2.640 . 0 0 "[ . 1 . 2]" 1
788 1 76 LEU QD 1 77 ARG H 3.330 . 3.330 3.294 3.192 3.500 0.170 8 0 "[ . 1 . 2]" 1
789 1 77 ARG H 1 104 VAL MG2 5.050 . 5.050 4.923 4.766 5.127 0.077 13 0 "[ . 1 . 2]" 1
790 1 77 ARG H 1 78 PHE HA 5.120 . 5.120 4.887 4.760 5.129 0.009 8 0 "[ . 1 . 2]" 1
791 1 72 PRO HA 1 73 MET H 3.100 . 3.100 2.248 2.206 2.375 . 0 0 "[ . 1 . 2]" 1
792 1 73 MET H 1 74 ASN HB3 5.030 . 5.030 4.939 4.780 5.045 0.015 6 0 "[ . 1 . 2]" 1
793 1 79 LEU HA 1 85 ILE H 4.090 . 4.090 2.710 2.523 2.911 . 0 0 "[ . 1 . 2]" 1
794 1 84 ARG HA 1 85 ILE H 3.260 . 3.260 2.228 2.188 2.283 . 0 0 "[ . 1 . 2]" 1
795 1 62 LYS QE 1 85 ILE H 4.920 . 4.920 4.564 4.187 4.978 0.058 10 0 "[ . 1 . 2]" 1
796 1 85 ILE H 1 85 ILE HB 3.620 . 3.620 2.647 2.615 2.699 . 0 0 "[ . 1 . 2]" 1
797 1 79 LEU HB3 1 85 ILE H 4.760 . 4.760 4.004 3.813 4.149 . 0 0 "[ . 1 . 2]" 1
798 1 40 VAL HA 1 41 ILE H 3.030 . 3.030 2.204 2.177 2.222 . 0 0 "[ . 1 . 2]" 1
799 1 41 ILE H 1 103 GLU HA 3.820 . 3.820 3.164 3.063 3.344 . 0 0 "[ . 1 . 2]" 1
800 1 40 VAL HB 1 41 ILE H 4.520 . 4.520 4.291 4.270 4.347 . 0 0 "[ . 1 . 2]" 1
801 1 41 ILE H 1 41 ILE HB 3.370 . 3.370 2.557 2.524 2.597 . 0 0 "[ . 1 . 2]" 1
802 1 39 LYS QD 1 41 ILE H 4.000 . 4.000 3.859 3.765 4.075 0.075 9 0 "[ . 1 . 2]" 1
803 1 41 ILE H 1 104 VAL HB 4.970 . 4.970 4.281 4.177 4.391 . 0 0 "[ . 1 . 2]" 1
804 1 41 ILE H 1 41 ILE QG 3.950 . 3.950 2.723 2.622 2.847 . 0 0 "[ . 1 . 2]" 1
805 1 40 VAL MG1 1 41 ILE H 3.260 . 3.260 2.510 2.468 2.580 . 0 0 "[ . 1 . 2]" 1
806 1 40 VAL MG2 1 41 ILE H 3.590 . 3.590 3.197 3.133 3.340 . 0 0 "[ . 1 . 2]" 1
807 1 40 VAL H 1 50 PHE QD 4.920 . 4.920 4.726 4.643 4.785 . 0 0 "[ . 1 . 2]" 1
808 1 40 VAL H 1 49 HIS HA 4.100 . 4.100 3.779 3.721 3.826 . 0 0 "[ . 1 . 2]" 1
809 1 39 LYS HA 1 40 VAL H 3.090 . 3.090 2.161 2.143 2.188 . 0 0 "[ . 1 . 2]" 1
810 1 40 VAL H 1 40 VAL HB 3.490 . 3.490 2.417 2.380 2.440 . 0 0 "[ . 1 . 2]" 1
811 1 40 VAL H 1 40 VAL MG1 3.630 . 3.630 3.447 3.408 3.486 . 0 0 "[ . 1 . 2]" 1
812 1 49 HIS HD2 1 50 PHE H 5.230 . 5.230 5.277 5.159 5.334 0.104 12 0 "[ . 1 . 2]" 1
813 1 49 HIS HA 1 50 PHE H 3.040 . 3.040 2.172 2.092 2.210 . 0 0 "[ . 1 . 2]" 1
814 1 50 PHE H 1 50 PHE HB2 3.770 . 3.770 3.737 3.631 3.765 . 0 0 "[ . 1 . 2]" 1
815 1 50 PHE H 1 50 PHE HB3 3.770 . 3.770 3.634 3.521 3.691 . 0 0 "[ . 1 . 2]" 1
816 1 38 LEU HB2 1 50 PHE H 4.930 . 4.930 4.504 4.313 4.628 . 0 0 "[ . 1 . 2]" 1
817 1 51 LYS QG 1 52 VAL H 5.200 . 5.200 4.356 4.054 4.887 . 0 0 "[ . 1 . 2]" 1
818 1 37 LYS QG 1 52 VAL H 4.570 . 4.570 4.597 4.414 4.705 0.135 11 0 "[ . 1 . 2]" 1
819 1 52 VAL H 1 53 LYS H 4.440 . 4.440 4.411 4.361 4.451 0.011 8 0 "[ . 1 . 2]" 1
820 1 37 LYS HA 1 52 VAL H 3.280 . 3.280 3.130 3.045 3.276 . 0 0 "[ . 1 . 2]" 1
821 1 36 ILE H 1 54 MET H 4.330 . 4.330 4.219 3.791 4.431 0.101 17 0 "[ . 1 . 2]" 1
822 1 35 TYR HA 1 36 ILE H 3.320 . 3.320 2.391 2.218 2.598 . 0 0 "[ . 1 . 2]" 1
823 1 35 TYR HB2 1 36 ILE H 4.120 . 4.120 2.301 2.023 2.582 . 0 0 "[ . 1 . 2]" 1
824 1 35 TYR HB3 1 36 ILE H 3.960 . 3.960 3.656 3.404 3.803 . 0 0 "[ . 1 . 2]" 1
825 1 36 ILE H 1 36 ILE HG12 4.050 . 4.050 2.252 2.136 2.352 . 0 0 "[ . 1 . 2]" 1
826 1 36 ILE H 1 37 LYS QG 5.320 . 5.320 5.017 4.739 5.311 . 0 0 "[ . 1 . 2]" 1
827 1 101 VAL HA 1 102 ILE H 3.120 . 3.120 2.205 2.181 2.228 . 0 0 "[ . 1 . 2]" 1
828 1 102 ILE H 1 102 ILE HB 3.510 . 3.510 2.703 2.664 2.723 . 0 0 "[ . 1 . 2]" 1
829 1 39 LYS HB3 1 102 ILE H 4.520 . 4.520 4.494 4.411 4.540 0.020 14 0 "[ . 1 . 2]" 1
830 1 102 ILE H 1 102 ILE QG 3.120 . 3.120 3.034 2.732 3.094 . 0 0 "[ . 1 . 2]" 1
831 1 102 ILE H 1 102 ILE MD 3.850 . 3.850 2.195 2.116 2.720 . 0 0 "[ . 1 . 2]" 1
832 1 97 GLU H 1 98 GLU H 4.550 . 4.550 4.329 4.280 4.358 . 0 0 "[ . 1 . 2]" 1
833 1 97 GLU H 1 100 ASP H 4.170 . 4.170 3.871 3.718 4.011 . 0 0 "[ . 1 . 2]" 1
834 1 97 GLU H 1 100 ASP HA 4.640 . 4.640 4.482 4.204 4.657 0.017 13 0 "[ . 1 . 2]" 1
835 1 96 MET HA 1 97 GLU H 3.040 . 3.040 2.405 2.372 2.457 . 0 0 "[ . 1 . 2]" 1
836 1 97 GLU H 1 100 ASP HB2 4.010 . 4.010 2.024 1.876 2.269 . 0 0 "[ . 1 . 2]" 1
837 1 97 GLU H 1 97 GLU QG 3.680 . 3.680 2.392 2.113 3.340 . 0 0 "[ . 1 . 2]" 1
838 1 96 MET QB 1 97 GLU H 3.370 . 3.370 2.419 2.368 2.487 . 0 0 "[ . 1 . 2]" 1
839 1 38 LEU QD 1 97 GLU H 4.200 . 4.200 3.714 3.298 3.928 . 0 0 "[ . 1 . 2]" 1
840 1 38 LEU HG 1 97 GLU H 5.230 . 5.230 4.751 4.459 5.054 . 0 0 "[ . 1 . 2]" 1
841 1 58 LEU H 1 59 LYS H 4.150 . 4.150 2.526 2.407 2.639 . 0 0 "[ . 1 . 2]" 1
842 1 58 LEU H 1 60 LYS H 5.060 . 5.060 4.777 4.697 5.064 0.004 3 0 "[ . 1 . 2]" 1
843 1 58 LEU H 1 90 THR HA 4.340 . 4.340 2.830 2.641 3.000 . 0 0 "[ . 1 . 2]" 1
844 1 58 LEU H 1 88 ASN HA 4.810 . 4.810 4.775 4.655 4.882 0.072 20 0 "[ . 1 . 2]" 1
845 1 57 HIS HB2 1 58 LEU H 4.240 . 4.240 4.088 3.974 4.191 . 0 0 "[ . 1 . 2]" 1
846 1 58 LEU H 1 59 LYS HG3 4.470 . 4.470 4.232 4.083 4.514 0.044 4 0 "[ . 1 . 2]" 1
847 1 58 LEU H 1 90 THR MG 4.150 . 4.150 3.436 3.229 3.661 . 0 0 "[ . 1 . 2]" 1
848 1 58 LEU H 1 85 ILE MG 4.610 . 4.610 4.586 4.424 4.679 0.069 12 0 "[ . 1 . 2]" 1
849 1 58 LEU H 1 58 LEU QD 3.750 . 3.750 3.089 2.757 3.298 . 0 0 "[ . 1 . 2]" 1
850 1 37 LYS H 1 99 GLU H 4.240 . 4.240 2.708 2.597 2.793 . 0 0 "[ . 1 . 2]" 1
851 1 98 GLU H 1 99 GLU H 4.840 . 4.840 4.542 4.399 4.614 . 0 0 "[ . 1 . 2]" 1
852 1 38 LEU HA 1 99 GLU H 4.580 . 4.580 3.364 3.211 3.618 . 0 0 "[ . 1 . 2]" 1
853 1 36 ILE HA 1 99 GLU H 4.920 . 4.920 5.003 4.880 5.109 0.189 13 0 "[ . 1 . 2]" 1
854 1 98 GLU HA 1 99 GLU H 3.220 . 3.220 2.133 2.062 2.215 . 0 0 "[ . 1 . 2]" 1
855 1 99 GLU H 1 99 GLU QB 3.480 . 3.480 3.178 3.015 3.355 . 0 0 "[ . 1 . 2]" 1
856 1 98 GLU HB2 1 99 GLU H 3.620 . 3.620 3.063 2.873 3.533 . 0 0 "[ . 1 . 2]" 1
857 1 98 GLU HB3 1 99 GLU H 4.130 . 4.130 4.088 4.009 4.216 0.086 11 0 "[ . 1 . 2]" 1
858 1 36 ILE HG12 1 99 GLU H 5.950 . 5.950 5.965 5.710 6.087 0.137 6 0 "[ . 1 . 2]" 1
859 1 38 LEU QD 1 99 GLU H 4.170 . 4.170 3.861 3.673 4.005 . 0 0 "[ . 1 . 2]" 1
860 1 36 ILE MD 1 99 GLU H 4.620 . 4.620 4.159 3.852 4.401 . 0 0 "[ . 1 . 2]" 1
861 1 80 PHE QD 1 81 GLU H 3.660 . 3.660 3.269 3.159 3.360 . 0 0 "[ . 1 . 2]" 1
862 1 80 PHE HA 1 81 GLU H 3.120 . 3.120 2.173 2.142 2.200 . 0 0 "[ . 1 . 2]" 1
863 1 81 GLU H 1 81 GLU HA 2.930 . 2.930 2.244 2.213 2.268 . 0 0 "[ . 1 . 2]" 1
864 1 80 PHE HB2 1 81 GLU H 4.160 . 4.160 4.113 4.078 4.150 . 0 0 "[ . 1 . 2]" 1
865 1 80 PHE HB3 1 81 GLU H 4.410 . 4.410 4.128 4.066 4.192 . 0 0 "[ . 1 . 2]" 1
866 1 81 GLU H 1 81 GLU HB3 3.280 . 3.280 3.012 2.985 3.060 . 0 0 "[ . 1 . 2]" 1
867 1 79 LEU H 1 103 GLU H 3.990 . 3.990 3.629 3.492 3.701 . 0 0 "[ . 1 . 2]" 1
868 1 79 LEU H 1 105 TYR H 4.750 . 4.750 4.698 4.595 4.796 0.046 13 0 "[ . 1 . 2]" 1
869 1 79 LEU H 1 105 TYR QE 5.570 . 5.570 5.469 5.348 5.572 0.002 14 0 "[ . 1 . 2]" 1
870 1 78 PHE HA 1 79 LEU H 3.080 . 3.080 2.160 2.142 2.181 . 0 0 "[ . 1 . 2]" 1
871 1 79 LEU H 1 104 VAL HA 3.620 . 3.620 3.268 3.181 3.372 . 0 0 "[ . 1 . 2]" 1
872 1 78 PHE HB2 1 79 LEU H 4.320 . 4.320 3.671 3.600 3.731 . 0 0 "[ . 1 . 2]" 1
873 1 78 PHE HB3 1 79 LEU H 4.070 . 4.070 4.058 4.000 4.107 0.037 3 0 "[ . 1 . 2]" 1
874 1 79 LEU H 1 85 ILE QG 3.710 . 3.710 3.433 3.296 3.567 . 0 0 "[ . 1 . 2]" 1
875 1 79 LEU H 1 79 LEU HB3 3.680 . 3.680 3.217 3.186 3.266 . 0 0 "[ . 1 . 2]" 1
876 1 79 LEU H 1 102 ILE MG 3.500 . 3.500 3.009 2.945 3.093 . 0 0 "[ . 1 . 2]" 1
877 1 79 LEU H 1 104 VAL MG1 4.880 . 4.880 4.715 4.585 4.851 . 0 0 "[ . 1 . 2]" 1
878 1 67 GLN HE22 1 67 GLN HG2 3.890 . 3.890 3.748 3.466 3.775 . 0 0 "[ . 1 . 2]" 1
879 1 69 GLN H 1 69 GLN HE22 4.880 . 4.880 4.294 4.191 4.387 . 0 0 "[ . 1 . 2]" 1
880 1 81 GLU HB3 1 83 GLN HE22 5.040 . 5.040 5.079 5.043 5.107 0.067 7 0 "[ . 1 . 2]" 1
881 1 43 GLN HA 1 43 GLN HE22 5.280 . 5.280 5.332 5.102 5.509 0.229 15 0 "[ . 1 . 2]" 1
882 1 67 GLN HE21 1 68 ARG HA 4.810 . 4.810 4.829 4.615 5.088 0.278 2 0 "[ . 1 . 2]" 1
883 1 67 GLN QB 1 67 GLN HE21 4.280 . 4.280 3.747 3.712 3.801 . 0 0 "[ . 1 . 2]" 1
884 1 67 GLN HE21 1 68 ARG QB 5.300 . 5.300 5.306 5.084 5.424 0.124 18 0 "[ . 1 . 2]" 1
885 1 86 ALA MB 1 88 ASN HD21 4.190 . 4.190 2.766 2.640 2.868 . 0 0 "[ . 1 . 2]" 1
886 1 83 GLN HE21 1 85 ILE MD 3.720 . 3.720 3.894 3.849 3.941 0.221 2 0 "[ . 1 . 2]" 1
887 1 17 ASP H 1 18 GLN HE21 4.110 . 4.110 3.775 2.841 4.323 0.213 11 0 "[ . 1 . 2]" 1
888 1 16 SER H 1 18 GLN HE21 4.140 . 4.140 3.690 2.403 4.300 0.160 16 0 "[ . 1 . 2]" 1
889 1 15 MET HA 1 18 GLN HE21 4.440 . 4.440 3.803 1.809 4.680 0.240 9 0 "[ . 1 . 2]" 1
890 1 18 GLN HB2 1 18 GLN HE21 4.070 . 4.070 3.301 1.710 4.131 0.090 7 0 "[ . 1 . 2]" 1
891 1 81 GLU HB2 1 83 GLN HE21 5.040 . 5.040 4.656 4.615 4.695 . 0 0 "[ . 1 . 2]" 1
892 1 83 GLN HE21 1 94 LEU QB 4.780 . 4.780 3.253 3.031 3.455 . 0 0 "[ . 1 . 2]" 1
893 1 81 GLU HG3 1 83 GLN HE21 4.490 . 4.490 2.633 2.544 2.754 . 0 0 "[ . 1 . 2]" 1
894 1 83 GLN HE21 1 94 LEU MD2 4.290 . 4.290 4.124 3.794 4.320 0.030 1 0 "[ . 1 . 2]" 1
895 1 64 SER HA 1 67 GLN HE21 5.000 . 5.000 3.071 2.054 3.435 . 0 0 "[ . 1 . 2]" 1
896 1 77 ARG QB 1 77 ARG HE 4.520 . 4.520 2.745 1.868 3.496 . 0 0 "[ . 1 . 2]" 1
897 1 108 GLN HB2 1 108 GLN HE21 4.490 . 4.490 4.406 4.052 4.433 . 0 0 "[ . 1 . 2]" 1
898 1 108 GLN HB3 1 108 GLN HE21 4.720 . 4.720 4.069 3.996 4.449 . 0 0 "[ . 1 . 2]" 1
899 1 71 VAL MG1 1 108 GLN HE21 4.610 . 4.610 4.099 3.232 4.605 . 0 0 "[ . 1 . 2]" 1
900 1 21 LYS H 1 22 PRO HA 5.010 . 5.010 4.951 4.611 5.205 0.195 18 0 "[ . 1 . 2]" 1
901 1 21 LYS H 1 22 PRO HD2 4.980 . 4.980 4.924 4.663 5.166 0.186 5 0 "[ . 1 . 2]" 1
902 1 21 LYS H 1 22 PRO HD3 5.030 . 5.030 4.703 4.252 5.053 0.023 18 0 "[ . 1 . 2]" 1
903 1 21 LYS H 1 21 LYS QD 4.330 . 4.330 3.690 2.189 4.445 0.115 8 0 "[ . 1 . 2]" 1
904 1 85 ILE H 1 86 ALA H 4.660 . 4.660 4.408 4.345 4.485 . 0 0 "[ . 1 . 2]" 1
905 1 85 ILE HA 1 86 ALA H 3.200 . 3.200 2.158 2.135 2.182 . 0 0 "[ . 1 . 2]" 1
906 1 86 ALA H 1 89 HIS HB2 4.500 . 4.500 2.201 2.067 2.347 . 0 0 "[ . 1 . 2]" 1
907 1 85 ILE HB 1 86 ALA H 4.660 . 4.660 4.156 4.089 4.194 . 0 0 "[ . 1 . 2]" 1
908 1 16 SER H 1 17 ASP H 3.690 . 3.690 2.398 1.618 3.281 0.182 3 0 "[ . 1 . 2]" 1
909 1 16 SER H 1 16 SER QB 3.090 . 3.090 2.672 2.303 3.344 0.254 14 0 "[ . 1 . 2]" 1
910 1 16 SER H 1 17 ASP QB 5.120 . 5.120 4.613 3.651 5.324 0.204 15 0 "[ . 1 . 2]" 1
911 1 80 PHE HB3 1 83 GLN H 4.390 . 4.390 4.367 4.319 4.422 0.032 12 0 "[ . 1 . 2]" 1
912 1 92 LYS H 1 94 LEU H 4.520 . 4.520 4.080 4.018 4.155 . 0 0 "[ . 1 . 2]" 1
913 1 101 VAL H 1 102 ILE H 4.440 . 4.440 4.390 4.373 4.405 . 0 0 "[ . 1 . 2]" 1
914 1 23 SER H 1 24 THR H 4.560 . 4.560 3.561 1.750 4.592 0.050 20 0 "[ . 1 . 2]" 1
915 1 26 ASP H 1 27 LEU HG 5.250 . 5.250 4.686 3.598 5.474 0.224 12 0 "[ . 1 . 2]" 1
916 1 39 LYS H 1 100 ASP H 5.210 . 5.210 4.965 4.772 5.151 . 0 0 "[ . 1 . 2]" 1
917 1 64 SER H 1 66 CYS H 3.980 . 3.980 3.986 3.927 4.029 0.049 19 0 "[ . 1 . 2]" 1
918 1 43 GLN H 1 44 ASP H 3.250 . 3.250 2.583 2.295 2.813 . 0 0 "[ . 1 . 2]" 1
919 1 37 LYS HA 1 51 LYS H 5.100 . 5.100 4.871 4.710 5.060 . 0 0 "[ . 1 . 2]" 1
920 1 107 GLU H 1 108 GLN H 3.550 . 3.550 2.117 1.948 2.373 . 0 0 "[ . 1 . 2]" 1
921 1 38 LEU H 1 50 PHE HB2 5.030 . 5.030 4.787 4.639 4.930 . 0 0 "[ . 1 . 2]" 1
922 1 38 LEU H 1 38 LEU HG 4.190 . 4.190 3.916 3.837 4.054 . 0 0 "[ . 1 . 2]" 1
923 1 78 PHE HB2 1 85 ILE H 4.550 . 4.550 3.821 3.619 4.006 . 0 0 "[ . 1 . 2]" 1
924 1 51 LYS H 1 52 VAL H 5.020 . 5.020 4.258 4.159 4.349 . 0 0 "[ . 1 . 2]" 1
925 1 38 LEU HB3 1 102 ILE H 4.950 . 4.950 4.468 4.346 4.630 . 0 0 "[ . 1 . 2]" 1
926 1 40 VAL MG2 1 102 ILE H 4.440 . 4.440 3.160 3.047 3.259 . 0 0 "[ . 1 . 2]" 1
927 1 72 PRO HA 1 74 ASN HD22 5.240 . 5.240 5.344 5.279 5.491 0.251 3 0 "[ . 1 . 2]" 1
928 1 83 GLN HE21 1 94 LEU MD1 4.840 . 4.840 3.349 3.029 3.502 . 0 0 "[ . 1 . 2]" 1
929 1 42 GLY H 1 43 GLN HE21 5.530 . 5.530 5.199 4.597 5.655 0.125 19 0 "[ . 1 . 2]" 1
930 1 58 LEU H 1 61 LEU H 5.680 . 5.680 5.318 5.141 5.398 . 0 0 "[ . 1 . 2]" 1
931 1 40 VAL H 1 49 HIS HD2 4.080 . 4.080 4.159 4.111 4.196 0.116 13 0 "[ . 1 . 2]" 1
932 1 65 TYR H 1 65 TYR HE2 5.070 . 5.070 4.827 4.761 4.874 . 0 0 "[ . 1 . 2]" 1
933 1 49 HIS H 1 49 HIS HD2 3.770 . 3.770 3.108 3.006 3.306 . 0 0 "[ . 1 . 2]" 1
934 1 33 GLY H 1 35 TYR QE 4.100 . 4.100 2.891 1.749 4.311 0.211 6 0 "[ . 1 . 2]" 1
935 1 35 TYR H 1 35 TYR QE 4.180 . 4.180 4.084 3.760 4.274 0.094 4 0 "[ . 1 . 2]" 1
936 1 65 TYR HE2 1 78 PHE QD 5.150 . 5.150 2.684 2.155 2.890 . 0 0 "[ . 1 . 2]" 1
937 1 49 HIS HA 1 49 HIS HD2 3.520 . 3.520 3.120 3.022 3.254 . 0 0 "[ . 1 . 2]" 1
938 1 35 TYR QE 1 37 LYS HA 5.490 . 5.490 4.927 4.283 5.501 0.011 8 0 "[ . 1 . 2]" 1
939 1 47 GLU HA 1 49 HIS HD2 4.780 . 4.780 4.327 3.957 4.509 . 0 0 "[ . 1 . 2]" 1
940 1 61 LEU H 1 64 SER QB 4.450 . 4.450 4.462 4.413 4.503 0.053 16 0 "[ . 1 . 2]" 1
941 1 33 GLY QA 1 35 TYR QE 3.820 . 3.820 3.187 2.299 3.948 0.128 4 0 "[ . 1 . 2]" 1
942 1 59 LYS HA 1 61 LEU H 5.070 . 5.070 4.195 4.124 4.423 . 0 0 "[ . 1 . 2]" 1
943 1 65 TYR HE2 1 66 CYS HB2 6.000 . 6.000 5.791 5.614 5.921 . 0 0 "[ . 1 . 2]" 1
944 1 62 LYS HA 1 65 TYR HE2 4.780 . 4.780 2.043 1.918 2.268 . 0 0 "[ . 1 . 2]" 1
945 1 60 LYS QE 1 61 LEU H 5.030 . 5.030 4.534 3.805 5.044 0.014 9 0 "[ . 1 . 2]" 1
946 1 65 TYR HB3 1 65 TYR HE2 5.460 . 5.460 4.662 4.640 4.676 . 0 0 "[ . 1 . 2]" 1
947 1 35 TYR QE 1 51 LYS QE 3.970 . 3.970 3.048 1.770 4.004 0.034 1 0 "[ . 1 . 2]" 1
948 1 32 GLU QB 1 35 TYR QE 4.290 . 4.290 2.654 1.865 3.463 . 0 0 "[ . 1 . 2]" 1
949 1 48 ILE HB 1 49 HIS HD2 4.970 . 4.970 4.987 4.895 5.051 0.081 14 0 "[ . 1 . 2]" 1
950 1 35 TYR QE 1 51 LYS QB 3.640 . 3.640 2.480 1.863 2.975 . 0 0 "[ . 1 . 2]" 1
951 1 39 LYS HB2 1 49 HIS HD2 4.260 . 4.260 4.171 3.921 4.285 0.025 11 0 "[ . 1 . 2]" 1
952 1 35 TYR QE 1 37 LYS QG 3.630 . 3.630 3.085 2.493 3.680 0.050 8 0 "[ . 1 . 2]" 1
953 1 39 LYS HG2 1 49 HIS HD2 3.780 . 3.780 2.655 2.537 2.854 . 0 0 "[ . 1 . 2]" 1
954 1 40 VAL MG1 1 65 TYR HE2 4.740 . 4.740 4.453 4.315 4.578 . 0 0 "[ . 1 . 2]" 1
955 1 86 ALA MB 1 88 ASN HD22 4.060 . 4.060 3.993 3.785 4.120 0.060 14 0 "[ . 1 . 2]" 1
956 1 39 LYS HG3 1 49 HIS HD2 3.720 . 3.720 2.854 2.464 3.061 . 0 0 "[ . 1 . 2]" 1
957 1 58 LEU QD 1 61 LEU H 4.000 . 4.000 3.593 3.497 3.705 . 0 0 "[ . 1 . 2]" 1
958 1 65 TYR HE2 1 76 LEU QD 4.330 . 4.330 4.036 3.855 4.196 . 0 0 "[ . 1 . 2]" 1
959 1 40 VAL MG2 1 65 TYR HE2 4.020 . 4.020 3.628 3.482 3.803 . 0 0 "[ . 1 . 2]" 1
960 1 62 LYS QG 1 65 TYR HE2 6.000 . 6.000 3.824 2.760 4.640 . 0 0 "[ . 1 . 2]" 1
961 1 42 GLY H 1 43 GLN HE22 6.000 . 6.000 5.586 5.115 5.935 . 0 0 "[ . 1 . 2]" 1
962 1 43 GLN HE22 1 46 SER H 5.080 . 5.080 4.808 4.248 5.085 0.005 6 0 "[ . 1 . 2]" 1
963 1 83 GLN HE22 1 83 GLN QG 3.410 . 3.410 3.264 3.257 3.271 . 0 0 "[ . 1 . 2]" 1
964 1 83 GLN HE22 1 94 LEU MD1 4.740 . 4.740 3.257 2.973 3.468 . 0 0 "[ . 1 . 2]" 1
965 1 83 GLN HE22 1 94 LEU MD2 3.950 . 3.950 3.065 2.610 3.294 . 0 0 "[ . 1 . 2]" 1
966 1 89 HIS HD2 1 90 THR H 3.680 . 3.680 3.772 3.710 3.865 0.185 5 0 "[ . 1 . 2]" 1
967 1 57 HIS HD2 1 89 HIS H 5.670 . 5.670 5.164 4.583 5.577 . 0 0 "[ . 1 . 2]" 1
968 1 89 HIS H 1 90 THR HA 5.420 . 5.420 5.174 5.129 5.241 . 0 0 "[ . 1 . 2]" 1
969 1 89 HIS HA 1 89 HIS HD2 3.000 . 3.000 2.078 2.041 2.113 . 0 0 "[ . 1 . 2]" 1
970 1 86 ALA HA 1 89 HIS H 4.720 . 4.720 4.578 4.485 4.642 . 0 0 "[ . 1 . 2]" 1
971 1 88 ASN HB3 1 89 HIS H 4.520 . 4.520 4.433 4.385 4.483 . 0 0 "[ . 1 . 2]" 1
972 1 89 HIS HD2 1 93 GLU HB3 4.910 . 4.910 4.909 4.624 4.991 0.081 5 0 "[ . 1 . 2]" 1
973 1 58 LEU QD 1 89 HIS H 5.030 . 5.030 4.935 4.629 5.089 0.059 20 0 "[ . 1 . 2]" 1
974 1 55 THR HB 1 56 THR H 4.790 . 4.790 4.537 4.433 4.607 . 0 0 "[ . 1 . 2]" 1
975 1 56 THR H 1 56 THR MG 3.570 . 3.570 2.304 2.158 2.503 . 0 0 "[ . 1 . 2]" 1
976 1 40 VAL H 1 50 PHE HE2 3.850 . 3.850 3.242 3.132 3.380 . 0 0 "[ . 1 . 2]" 1
977 1 50 PHE H 1 50 PHE QD 3.500 . 3.500 3.141 2.978 3.189 . 0 0 "[ . 1 . 2]" 1
978 1 78 PHE QD 1 85 ILE H 4.220 . 4.220 2.536 2.380 2.680 . 0 0 "[ . 1 . 2]" 1
979 1 48 ILE H 1 50 PHE HE2 4.740 . 4.740 4.346 4.179 4.484 . 0 0 "[ . 1 . 2]" 1
980 1 74 ASN H 1 76 LEU H 4.090 . 4.090 4.075 3.929 4.157 0.067 5 0 "[ . 1 . 2]" 1
981 1 49 HIS HA 1 50 PHE HE2 4.630 . 4.630 4.559 4.460 4.651 0.021 4 0 "[ . 1 . 2]" 1
982 1 49 HIS HA 1 50 PHE QD 3.890 . 3.890 3.940 3.909 4.004 0.114 12 0 "[ . 1 . 2]" 1
983 1 37 LYS HA 1 50 PHE QD 5.070 . 5.070 4.599 4.459 4.717 . 0 0 "[ . 1 . 2]" 1
984 1 40 VAL HA 1 50 PHE HE2 4.590 . 4.590 4.623 4.593 4.663 0.073 15 0 "[ . 1 . 2]" 1
985 1 39 LYS HA 1 50 PHE QD 4.490 . 4.490 4.454 4.391 4.520 0.030 7 0 "[ . 1 . 2]" 1
986 1 39 LYS HA 1 50 PHE HE2 4.080 . 4.080 4.061 3.969 4.120 0.040 13 0 "[ . 1 . 2]" 1
987 1 73 MET HA 1 76 LEU H 4.350 . 4.350 3.708 3.593 3.806 . 0 0 "[ . 1 . 2]" 1
988 1 50 PHE QD 1 65 TYR HA 4.050 . 4.050 3.705 3.542 3.890 . 0 0 "[ . 1 . 2]" 1
989 1 50 PHE QD 1 65 TYR HB2 4.680 . 4.680 3.622 3.564 3.696 . 0 0 "[ . 1 . 2]" 1
990 1 50 PHE HB3 1 50 PHE HE2 4.830 . 4.830 4.599 4.583 4.613 . 0 0 "[ . 1 . 2]" 1
991 1 40 VAL HB 1 50 PHE HE2 3.430 . 3.430 1.978 1.919 2.029 . 0 0 "[ . 1 . 2]" 1
992 1 48 ILE HB 1 50 PHE HE2 3.490 . 3.490 2.236 2.050 2.425 . 0 0 "[ . 1 . 2]" 1
993 1 78 PHE QD 1 85 ILE QG 3.980 . 3.980 3.488 3.333 3.695 . 0 0 "[ . 1 . 2]" 1
994 1 48 ILE HB 1 50 PHE QD 3.500 . 3.500 3.394 3.255 3.528 0.028 13 0 "[ . 1 . 2]" 1
995 1 50 PHE QD 1 68 ARG QG 4.260 . 4.260 3.914 3.630 4.287 0.027 3 0 "[ . 1 . 2]" 1
996 1 50 PHE QD 1 52 VAL MG1 2.820 . 2.820 2.901 2.810 2.988 0.168 7 0 "[ . 1 . 2]" 1
997 1 76 LEU H 1 76 LEU QD 3.290 . 3.290 2.538 2.406 2.667 . 0 0 "[ . 1 . 2]" 1
998 1 76 LEU QD 1 78 PHE QD 3.300 . 3.300 2.694 2.536 2.989 . 0 0 "[ . 1 . 2]" 1
999 1 48 ILE MG 1 50 PHE QD 3.190 . 3.190 1.945 1.887 2.023 . 0 0 "[ . 1 . 2]" 1
1000 1 40 VAL MG2 1 50 PHE HE2 3.330 . 3.330 2.878 2.798 2.929 . 0 0 "[ . 1 . 2]" 1
1001 1 50 PHE QD 1 61 LEU HG 3.340 . 3.340 2.910 2.734 2.999 . 0 0 "[ . 1 . 2]" 1
1002 1 50 PHE HE1 1 61 LEU HG 3.570 . 3.570 2.963 2.657 3.212 . 0 0 "[ . 1 . 2]" 1
1003 1 50 PHE HE1 1 61 LEU MD2 3.500 . 3.500 2.607 2.453 2.679 . 0 0 "[ . 1 . 2]" 1
1004 1 80 PHE QE 1 101 VAL H 3.700 . 3.700 3.444 3.229 3.614 . 0 0 "[ . 1 . 2]" 1
1005 1 90 THR H 1 94 LEU H 4.280 . 4.280 3.971 3.889 4.084 . 0 0 "[ . 1 . 2]" 1
1006 1 80 PHE QE 1 96 MET HA 4.350 . 4.350 4.102 3.886 4.348 . 0 0 "[ . 1 . 2]" 1
1007 1 90 THR H 1 91 PRO QD 4.560 . 4.560 4.399 4.388 4.426 . 0 0 "[ . 1 . 2]" 1
1008 1 73 MET QG 1 78 PHE QE 3.510 . 3.510 3.407 2.104 3.558 0.048 11 0 "[ . 1 . 2]" 1
1009 1 62 LYS QE 1 78 PHE QE 4.340 . 4.340 2.760 2.669 2.838 . 0 0 "[ . 1 . 2]" 1
1010 1 80 PHE QE 1 96 MET QG 3.730 . 3.730 3.116 2.965 3.276 . 0 0 "[ . 1 . 2]" 1
1011 1 80 PHE QE 1 81 GLU HB3 3.350 . 3.350 3.339 3.252 3.386 0.036 10 0 "[ . 1 . 2]" 1
1012 1 80 PHE QE 1 81 GLU HG2 3.510 . 3.510 3.305 3.148 3.486 . 0 0 "[ . 1 . 2]" 1
1013 1 80 PHE QE 1 101 VAL QG 3.500 . 3.500 3.516 3.338 3.626 0.126 19 0 "[ . 1 . 2]" 1
1014 1 62 LYS QG 1 78 PHE QE 5.330 . 5.330 4.401 4.087 4.601 . 0 0 "[ . 1 . 2]" 1
1015 1 62 LYS QG 1 78 PHE HE2 5.910 . 5.910 4.641 4.205 4.902 . 0 0 "[ . 1 . 2]" 1
1016 1 60 LYS H 1 63 GLU H 5.830 . 5.830 4.933 4.764 5.017 . 0 0 "[ . 1 . 2]" 1
1017 1 67 GLN H 1 67 GLN HE21 5.020 . 5.020 4.927 4.500 5.039 0.019 7 0 "[ . 1 . 2]" 1
1018 1 67 GLN HE21 1 68 ARG H 4.900 . 4.900 4.213 3.919 4.334 . 0 0 "[ . 1 . 2]" 1
1019 1 94 LEU H 1 95 GLY H 4.000 . 4.000 2.499 2.430 2.559 . 0 0 "[ . 1 . 2]" 1
1020 1 90 THR HA 1 94 LEU H 5.760 . 5.760 5.171 5.117 5.226 . 0 0 "[ . 1 . 2]" 1
1021 1 18 GLN HA 1 18 GLN HE21 4.760 . 4.760 4.498 2.236 4.935 0.175 11 0 "[ . 1 . 2]" 1
1022 1 83 GLN HE21 1 94 LEU HA 5.110 . 5.110 4.577 4.213 4.886 . 0 0 "[ . 1 . 2]" 1
1023 1 91 PRO QD 1 94 LEU H 5.320 . 5.320 5.105 5.064 5.154 . 0 0 "[ . 1 . 2]" 1
1024 1 91 PRO QB 1 94 LEU H 5.180 . 5.180 4.983 4.927 5.051 . 0 0 "[ . 1 . 2]" 1
1025 1 81 GLU H 1 83 GLN HE21 5.530 . 5.530 4.930 4.862 5.015 . 0 0 "[ . 1 . 2]" 1
1026 1 80 PHE H 1 83 GLN HE21 5.510 . 5.510 4.170 4.101 4.252 . 0 0 "[ . 1 . 2]" 1
1027 1 77 ARG H 1 106 GLN HE21 6.000 . 6.000 4.643 4.469 4.817 . 0 0 "[ . 1 . 2]" 1
1028 1 87 ASP H 1 88 ASN HD21 5.230 . 5.230 3.607 3.370 3.822 . 0 0 "[ . 1 . 2]" 1
1029 1 106 GLN H 1 106 GLN HE21 4.970 . 4.970 5.000 4.929 5.022 0.052 4 0 "[ . 1 . 2]" 1
1030 1 66 CYS H 1 69 GLN HE21 5.420 . 5.420 4.318 4.234 4.386 . 0 0 "[ . 1 . 2]" 1
1031 1 59 LYS H 1 62 LYS H 5.170 . 5.170 4.777 4.724 4.831 . 0 0 "[ . 1 . 2]" 1
1032 1 106 GLN HE21 1 107 GLU H 5.530 . 5.530 2.488 2.355 2.679 . 0 0 "[ . 1 . 2]" 1
1033 1 67 GLN H 1 69 GLN HE21 5.260 . 5.260 4.765 4.714 4.794 . 0 0 "[ . 1 . 2]" 1
1034 1 18 GLN H 1 18 GLN HE21 5.210 . 5.210 3.329 2.162 4.288 . 0 0 "[ . 1 . 2]" 1
1035 1 69 GLN H 1 69 GLN HE21 4.180 . 4.180 2.719 2.651 2.776 . 0 0 "[ . 1 . 2]" 1
1036 1 80 PHE QE 1 83 GLN HE21 4.050 . 4.050 4.076 3.925 4.139 0.089 15 0 "[ . 1 . 2]" 1
1037 1 80 PHE HA 1 83 GLN HE21 5.320 . 5.320 5.053 4.987 5.172 . 0 0 "[ . 1 . 2]" 1
1038 1 106 GLN HA 1 106 GLN HE21 4.130 . 4.130 2.176 2.097 2.210 . 0 0 "[ . 1 . 2]" 1
1039 1 16 SER HA 1 18 GLN HE21 5.850 . 5.850 5.156 2.266 6.132 0.282 6 0 "[ . 1 . 2]" 1
1040 1 106 GLN HE21 1 108 GLN HA 6.000 . 6.000 5.020 4.800 5.286 . 0 0 "[ . 1 . 2]" 1
1041 1 106 GLN HE21 1 107 GLU HA 5.570 . 5.570 5.255 5.145 5.424 . 0 0 "[ . 1 . 2]" 1
1042 1 81 GLU HA 1 83 GLN HE21 5.750 . 5.750 5.431 5.395 5.515 . 0 0 "[ . 1 . 2]" 1
1043 1 65 TYR HB2 1 69 GLN HE21 5.360 . 5.360 5.043 4.937 5.180 . 0 0 "[ . 1 . 2]" 1
1044 1 80 PHE HB2 1 83 GLN HE21 5.210 . 5.210 4.752 4.681 4.796 . 0 0 "[ . 1 . 2]" 1
1045 1 106 GLN HE21 1 106 GLN QG 3.230 . 3.230 2.243 2.223 2.264 . 0 0 "[ . 1 . 2]" 1
1046 1 83 GLN HB3 1 83 GLN HE21 4.100 . 4.100 2.973 2.937 3.025 . 0 0 "[ . 1 . 2]" 1
1047 1 106 GLN HE21 1 107 GLU QG 4.920 . 4.920 4.016 3.850 4.148 . 0 0 "[ . 1 . 2]" 1
1048 1 68 ARG QB 1 69 GLN HE21 4.450 . 4.450 4.314 4.166 4.421 . 0 0 "[ . 1 . 2]" 1
1049 1 106 GLN HB2 1 106 GLN HE21 4.660 . 4.660 3.674 3.590 3.757 . 0 0 "[ . 1 . 2]" 1
1050 1 69 GLN HE21 1 71 VAL MG1 4.970 . 4.970 4.575 4.257 4.778 . 0 0 "[ . 1 . 2]" 1
1051 1 76 LEU HG 1 106 GLN HE21 5.240 . 5.240 4.281 4.083 4.468 . 0 0 "[ . 1 . 2]" 1
1052 1 69 GLN HE21 1 71 VAL MG2 4.980 . 4.980 2.663 2.478 2.803 . 0 0 "[ . 1 . 2]" 1
1053 1 76 LEU HB3 1 106 GLN HE21 4.630 . 4.630 2.642 2.477 2.801 . 0 0 "[ . 1 . 2]" 1
1054 1 61 LEU HG 1 62 LYS H 4.720 . 4.720 4.584 4.518 4.667 . 0 0 "[ . 1 . 2]" 1
1055 1 43 GLN HE21 1 46 SER H 5.770 . 5.770 5.236 4.487 5.815 0.045 6 0 "[ . 1 . 2]" 1
1056 1 74 ASN HB2 1 74 ASN HD21 3.510 . 3.510 2.644 2.244 2.981 . 0 0 "[ . 1 . 2]" 1
1057 1 94 LEU QB 1 95 GLY H 4.290 . 4.290 3.334 3.194 3.460 . 0 0 "[ . 1 . 2]" 1
1058 1 43 GLN HE21 1 104 VAL HB 4.440 . 4.440 3.985 2.759 4.558 0.118 15 0 "[ . 1 . 2]" 1
1059 1 43 GLN H 1 43 GLN HE21 4.520 . 4.520 1.951 1.622 2.378 0.178 4 0 "[ . 1 . 2]" 1
1060 1 43 GLN HE21 1 44 ASP H 4.690 . 4.690 3.349 2.648 3.998 . 0 0 "[ . 1 . 2]" 1
1061 1 43 GLN HE21 1 76 LEU HA 6.000 . 6.000 5.783 5.203 6.150 0.150 5 0 "[ . 1 . 2]" 1
1062 1 71 VAL H 1 72 PRO QD 4.420 . 4.420 4.345 4.318 4.375 . 0 0 "[ . 1 . 2]" 1
1063 1 66 CYS HB3 1 71 VAL H 4.720 . 4.720 4.209 4.035 4.341 . 0 0 "[ . 1 . 2]" 1
1064 1 71 VAL H 1 71 VAL HB 3.940 . 3.940 3.859 3.834 3.898 . 0 0 "[ . 1 . 2]" 1
1065 1 58 LEU H 1 88 ASN H 5.960 . 5.960 5.715 5.461 5.834 . 0 0 "[ . 1 . 2]" 1
1066 1 88 ASN H 1 89 HIS HA 4.760 . 4.760 4.702 4.665 4.771 0.011 20 0 "[ . 1 . 2]" 1
1067 1 86 ALA HA 1 88 ASN H 4.420 . 4.420 4.095 3.998 4.173 . 0 0 "[ . 1 . 2]" 1
1068 1 88 ASN H 1 89 HIS HB3 5.630 . 5.630 5.647 5.568 5.715 0.085 9 0 "[ . 1 . 2]" 1
1069 1 88 ASN H 1 88 ASN HB2 3.720 . 3.720 2.664 2.574 2.747 . 0 0 "[ . 1 . 2]" 1
1070 1 59 LYS HB3 1 88 ASN H 4.760 . 4.760 4.590 4.436 4.784 0.024 10 0 "[ . 1 . 2]" 1
1071 1 79 LEU H 1 104 VAL H 5.310 . 5.310 5.027 4.942 5.115 . 0 0 "[ . 1 . 2]" 1
1072 1 104 VAL H 1 105 TYR QE 5.240 . 5.240 5.176 5.084 5.276 0.036 12 0 "[ . 1 . 2]" 1
1073 1 41 ILE HA 1 104 VAL H 5.230 . 5.230 5.108 4.999 5.239 0.009 6 0 "[ . 1 . 2]" 1
1074 1 41 ILE QG 1 104 VAL H 5.210 . 5.210 4.890 4.717 5.187 . 0 0 "[ . 1 . 2]" 1
1075 1 86 ALA H 1 89 HIS HE1 4.060 . 4.060 3.822 3.592 4.030 . 0 0 "[ . 1 . 2]" 1
1076 1 66 CYS H 1 69 GLN H 5.320 . 5.320 4.948 4.886 4.988 . 0 0 "[ . 1 . 2]" 1
1077 1 69 GLN H 1 71 VAL H 4.190 . 4.190 3.942 3.795 4.047 . 0 0 "[ . 1 . 2]" 1
1078 1 85 ILE HA 1 89 HIS HE1 4.030 . 4.030 3.982 3.784 4.094 0.064 17 0 "[ . 1 . 2]" 1
1079 1 66 CYS HA 1 69 GLN H 4.290 . 4.290 3.588 3.512 3.662 . 0 0 "[ . 1 . 2]" 1
1080 1 69 GLN H 1 70 GLY QA 4.710 . 4.710 4.332 4.204 4.421 . 0 0 "[ . 1 . 2]" 1
1081 1 89 HIS HB2 1 89 HIS HE1 5.070 . 5.070 4.865 4.827 4.894 . 0 0 "[ . 1 . 2]" 1
1082 1 84 ARG QD 1 89 HIS HE1 4.870 . 4.870 3.986 3.104 5.006 0.136 12 0 "[ . 1 . 2]" 1
1083 1 89 HIS HB3 1 89 HIS HE1 4.930 . 4.930 4.889 4.865 4.926 . 0 0 "[ . 1 . 2]" 1
1084 1 83 GLN QG 1 89 HIS HE1 3.810 . 3.810 3.298 2.934 3.561 . 0 0 "[ . 1 . 2]" 1
1085 1 68 ARG QG 1 69 GLN H 4.310 . 4.310 4.168 3.970 4.329 0.019 3 0 "[ . 1 . 2]" 1
1086 1 84 ARG QG 1 89 HIS HE1 4.430 . 4.430 4.094 3.164 4.473 0.043 19 0 "[ . 1 . 2]" 1
1087 1 89 HIS HE1 1 94 LEU MD1 3.720 . 3.720 3.776 3.661 3.847 0.127 16 0 "[ . 1 . 2]" 1
1088 1 69 GLN H 1 70 GLY H 3.920 . 3.920 2.418 2.279 2.522 . 0 0 "[ . 1 . 2]" 1
1089 1 74 ASN HD22 1 75 SER H 5.000 . 5.000 4.550 3.898 5.046 0.046 19 0 "[ . 1 . 2]" 1
1090 1 73 MET HA 1 75 SER H 4.190 . 4.190 3.723 3.627 3.808 . 0 0 "[ . 1 . 2]" 1
1091 1 75 SER H 1 108 GLN HA 6.000 . 6.000 6.060 5.680 6.239 0.239 6 0 "[ . 1 . 2]" 1
1092 1 72 PRO QD 1 75 SER H 4.650 . 4.650 4.463 3.915 4.651 0.001 20 0 "[ . 1 . 2]" 1
1093 1 74 ASN HB3 1 75 SER H 4.450 . 4.450 4.325 4.234 4.397 . 0 0 "[ . 1 . 2]" 1
1094 1 83 GLN H 1 83 GLN HE21 5.080 . 5.080 3.944 3.845 4.100 . 0 0 "[ . 1 . 2]" 1
1095 1 80 PHE QD 1 83 GLN H 5.290 . 5.290 5.003 4.941 5.056 . 0 0 "[ . 1 . 2]" 1
1096 1 90 THR H 1 93 GLU H 4.080 . 4.080 3.867 3.781 3.935 . 0 0 "[ . 1 . 2]" 1
1097 1 43 GLN HE22 1 45 SER H 5.310 . 5.310 5.274 4.774 5.517 0.207 13 0 "[ . 1 . 2]" 1
1098 1 67 GLN HE22 1 68 ARG H 5.810 . 5.810 5.696 5.440 5.807 . 0 0 "[ . 1 . 2]" 1
1099 1 79 LEU HA 1 83 GLN H 4.570 . 4.570 4.438 4.346 4.543 . 0 0 "[ . 1 . 2]" 1
1100 1 80 PHE HA 1 83 GLN H 4.440 . 4.440 4.178 4.138 4.214 . 0 0 "[ . 1 . 2]" 1
1101 1 41 ILE HA 1 45 SER H 5.890 . 5.890 5.435 5.207 5.616 . 0 0 "[ . 1 . 2]" 1
1102 1 45 SER H 1 46 SER HB3 5.120 . 5.120 5.000 4.772 5.530 0.410 9 0 "[ . 1 . 2]" 1
1103 1 81 GLU HA 1 83 GLN H 5.000 . 5.000 4.617 4.513 4.655 . 0 0 "[ . 1 . 2]" 1
1104 1 63 GLU HG2 1 64 SER H 4.370 . 4.370 3.321 3.058 4.031 . 0 0 "[ . 1 . 2]" 1
1105 1 63 GLU HG3 1 64 SER H 3.520 . 3.520 2.324 2.197 2.664 . 0 0 "[ . 1 . 2]" 1
1106 1 93 GLU H 1 93 GLU HB3 3.710 . 3.710 3.529 3.497 3.556 . 0 0 "[ . 1 . 2]" 1
1107 1 92 LYS QG 1 93 GLU H 3.700 . 3.700 1.925 1.825 2.021 . 0 0 "[ . 1 . 2]" 1
1108 1 41 ILE MG 1 45 SER H 3.670 . 3.670 3.700 3.468 3.825 0.155 7 0 "[ . 1 . 2]" 1
1109 1 62 LYS QG 1 64 SER H 6.000 . 6.000 4.904 4.376 5.468 . 0 0 "[ . 1 . 2]" 1
1110 1 79 LEU HB2 1 83 GLN H 3.590 . 3.590 3.078 2.975 3.196 . 0 0 "[ . 1 . 2]" 1
1111 1 68 ARG H 1 69 GLN H 3.950 . 3.950 2.781 2.720 2.868 . 0 0 "[ . 1 . 2]" 1
1112 1 43 GLN HE21 1 45 SER H 6.000 . 6.000 5.294 4.693 5.813 . 0 0 "[ . 1 . 2]" 1
1113 1 68 ARG H 1 71 VAL H 6.000 . 6.000 5.536 5.412 5.678 . 0 0 "[ . 1 . 2]" 1
1114 1 65 TYR HB2 1 68 ARG H 5.540 . 5.540 5.190 5.118 5.240 . 0 0 "[ . 1 . 2]" 1
1115 1 65 TYR H 1 68 ARG H 4.790 . 4.790 4.730 4.692 4.788 . 0 0 "[ . 1 . 2]" 1
1116 1 68 ARG H 1 69 GLN HE22 5.630 . 5.630 5.844 5.801 5.876 0.246 14 0 "[ . 1 . 2]" 1
1117 1 57 HIS HE1 1 88 ASN HA 4.390 . 4.390 4.123 2.884 4.505 0.115 6 0 "[ . 1 . 2]" 1
1118 1 49 HIS HB3 1 49 HIS HE1 4.890 . 4.890 4.733 4.700 4.756 . 0 0 "[ . 1 . 2]" 1
1119 1 67 GLN HG2 1 68 ARG H 3.790 . 3.790 2.779 2.414 3.121 . 0 0 "[ . 1 . 2]" 1
1120 1 43 GLN H 1 46 SER H 5.030 . 5.030 4.593 4.178 4.926 . 0 0 "[ . 1 . 2]" 1
1121 1 46 SER H 1 47 GLU HA 5.220 . 5.220 5.269 5.215 5.305 0.085 11 0 "[ . 1 . 2]" 1
1122 1 41 ILE HA 1 46 SER H 5.180 . 5.180 4.777 4.435 5.009 . 0 0 "[ . 1 . 2]" 1
1123 1 55 THR HA 1 92 LYS H 4.750 . 4.750 4.490 3.979 4.827 0.077 15 0 "[ . 1 . 2]" 1
1124 1 45 SER HA 1 46 SER H 3.510 . 3.510 2.995 2.862 3.068 . 0 0 "[ . 1 . 2]" 1
1125 1 91 PRO QD 1 92 LYS H 3.630 . 3.630 2.546 2.419 2.798 . 0 0 "[ . 1 . 2]" 1
1126 1 42 GLY QA 1 46 SER H 4.940 . 4.940 2.902 2.615 3.235 . 0 0 "[ . 1 . 2]" 1
1127 1 92 LYS H 1 93 GLU HB2 4.670 . 4.670 4.605 4.474 4.672 0.002 15 0 "[ . 1 . 2]" 1
1128 1 91 PRO QG 1 92 LYS H 4.220 . 4.220 3.523 2.332 3.685 . 0 0 "[ . 1 . 2]" 1
1129 1 36 ILE MD 1 92 LYS H 5.550 . 5.550 5.004 4.795 5.127 . 0 0 "[ . 1 . 2]" 1
1130 1 38 LEU HA 1 100 ASP H 4.500 . 4.500 3.540 3.359 3.662 . 0 0 "[ . 1 . 2]" 1
1131 1 100 ASP H 1 100 ASP HB3 3.860 . 3.860 3.029 2.876 3.237 . 0 0 "[ . 1 . 2]" 1
1132 1 15 MET QG 1 16 SER H 4.530 . 4.530 3.831 1.867 4.772 0.242 19 0 "[ . 1 . 2]" 1
1133 1 97 GLU QG 1 100 ASP H 4.130 . 4.130 3.478 3.237 3.769 . 0 0 "[ . 1 . 2]" 1
1134 1 27 LEU HB2 1 29 ASP H 5.380 . 5.380 3.956 2.740 5.439 0.059 17 0 "[ . 1 . 2]" 1
1135 1 29 ASP H 1 30 LYS QG 5.780 . 5.780 4.521 2.411 5.580 . 0 0 "[ . 1 . 2]" 1
1136 1 39 LYS HB3 1 101 VAL H 5.610 . 5.610 5.496 5.343 5.614 0.004 9 0 "[ . 1 . 2]" 1
1137 1 38 LEU HG 1 101 VAL H 6.000 . 6.000 5.638 5.382 5.904 . 0 0 "[ . 1 . 2]" 1
1138 1 101 VAL H 1 102 ILE MD 6.000 . 6.000 4.575 4.466 5.241 . 0 0 "[ . 1 . 2]" 1
1139 1 17 ASP H 1 18 GLN H 3.390 . 3.390 2.590 1.753 3.948 0.558 12 1 "[ . 1 + . 2]" 1
1140 1 34 GLU H 1 35 TYR H 3.500 . 3.500 2.650 2.049 3.693 0.193 3 0 "[ . 1 . 2]" 1
1141 1 19 GLU QB 1 20 ALA H 2.900 . 2.900 2.472 1.787 3.191 0.291 10 0 "[ . 1 . 2]" 1
1142 1 65 TYR H 1 67 GLN H 4.880 . 4.880 4.173 4.127 4.244 . 0 0 "[ . 1 . 2]" 1
1143 1 44 ASP H 1 46 SER H 4.100 . 4.100 3.009 2.760 3.204 . 0 0 "[ . 1 . 2]" 1
1144 1 65 TYR QD 1 67 GLN H 5.250 . 5.250 5.320 5.283 5.358 0.108 1 0 "[ . 1 . 2]" 1
1145 1 97 GLU HA 1 98 GLU H 3.520 . 3.520 2.746 2.692 2.797 . 0 0 "[ . 1 . 2]" 1
1146 1 42 GLY QA 1 44 ASP H 4.110 . 4.110 2.966 2.913 3.072 . 0 0 "[ . 1 . 2]" 1
1147 1 21 LYS H 1 21 LYS QG 3.080 . 3.080 2.517 2.079 3.175 0.095 17 0 "[ . 1 . 2]" 1
1148 1 36 ILE MG 1 98 GLU H 3.840 . 3.840 3.392 3.086 3.610 . 0 0 "[ . 1 . 2]" 1
1149 1 67 GLN H 1 71 VAL MG2 5.390 . 5.390 5.363 5.262 5.446 0.056 1 0 "[ . 1 . 2]" 1
1150 1 30 LYS HA 1 31 LYS H 2.650 . 2.650 2.441 2.094 2.782 0.132 9 0 "[ . 1 . 2]" 1
1151 1 16 SER QB 1 17 ASP H 3.610 . 3.610 3.056 1.849 3.931 0.321 9 0 "[ . 1 . 2]" 1
1152 1 30 LYS QE 1 31 LYS H 6.000 . 6.000 5.151 3.117 6.260 0.260 3 0 "[ . 1 . 2]" 1
1153 1 30 LYS QB 1 31 LYS H 2.880 . 2.880 2.419 1.765 3.138 0.258 12 0 "[ . 1 . 2]" 1
1154 1 35 TYR H 1 35 TYR HB2 3.910 . 3.910 3.745 3.609 3.845 . 0 0 "[ . 1 . 2]" 1
1155 1 27 LEU H 1 27 LEU HG 3.070 . 3.070 2.497 1.777 3.147 0.077 7 0 "[ . 1 . 2]" 1
1156 1 73 MET H 1 74 ASN H 3.790 . 3.790 2.599 2.520 2.704 . 0 0 "[ . 1 . 2]" 1
1157 1 74 ASN H 1 74 ASN HD21 4.330 . 4.330 3.781 3.668 3.860 . 0 0 "[ . 1 . 2]" 1
1158 1 106 GLN HA 1 107 GLU H 3.140 . 3.140 2.245 2.188 2.315 . 0 0 "[ . 1 . 2]" 1
1159 1 75 SER HB3 1 107 GLU H 4.960 . 4.960 4.505 4.380 4.674 . 0 0 "[ . 1 . 2]" 1
1160 1 72 PRO QD 1 74 ASN H 5.300 . 5.300 5.029 4.560 5.154 . 0 0 "[ . 1 . 2]" 1
1161 1 74 ASN H 1 74 ASN HB3 3.590 . 3.590 2.907 2.773 3.039 . 0 0 "[ . 1 . 2]" 1
1162 1 72 PRO QB 1 74 ASN H 3.660 . 3.660 2.301 2.247 2.363 . 0 0 "[ . 1 . 2]" 1
1163 1 72 PRO QG 1 74 ASN H 3.660 . 3.660 3.614 3.099 3.716 0.056 6 0 "[ . 1 . 2]" 1
1164 1 73 MET QB 1 74 ASN H 3.880 . 3.880 3.229 3.110 3.302 . 0 0 "[ . 1 . 2]" 1
1165 1 32 GLU QB 1 33 GLY H 3.700 . 3.700 2.346 1.751 3.746 0.049 15 0 "[ . 1 . 2]" 1
1166 1 108 GLN HB3 1 109 THR H 3.840 . 3.840 1.785 1.657 1.935 0.143 15 0 "[ . 1 . 2]" 1
1167 1 76 LEU HB2 1 107 GLU H 4.860 . 4.860 4.808 4.621 4.930 0.070 5 0 "[ . 1 . 2]" 1
1168 1 77 ARG QG 1 107 GLU H 5.090 . 5.090 3.545 3.251 3.776 . 0 0 "[ . 1 . 2]" 1
1169 1 76 LEU HB3 1 107 GLU H 4.160 . 4.160 4.135 3.961 4.252 0.092 5 0 "[ . 1 . 2]" 1
1170 1 42 GLY H 1 46 SER HB3 4.120 . 4.120 3.672 3.058 4.416 0.296 15 0 "[ . 1 . 2]" 1
1171 1 26 ASP QB 1 28 GLY H 6.000 . 6.000 5.630 4.205 6.255 0.255 6 0 "[ . 1 . 2]" 1
1172 1 33 GLY H 1 35 TYR HB3 6.000 . 6.000 4.220 3.087 5.476 . 0 0 "[ . 1 . 2]" 1
1173 1 27 LEU HB3 1 28 GLY H 3.870 . 3.870 3.211 1.936 4.274 0.404 15 0 "[ . 1 . 2]" 1
1174 1 42 GLY H 1 104 VAL H 5.320 . 5.320 5.219 5.130 5.290 . 0 0 "[ . 1 . 2]" 1
1175 1 32 GLU H 1 35 TYR QE 5.260 . 5.260 5.132 4.495 5.443 0.183 13 0 "[ . 1 . 2]" 1
1176 1 42 GLY H 1 47 GLU HA 4.110 . 4.110 3.595 3.487 3.764 . 0 0 "[ . 1 . 2]" 1
1177 1 60 LYS HA 1 63 GLU H 3.870 . 3.870 3.700 3.497 3.862 . 0 0 "[ . 1 . 2]" 1
1178 1 63 GLU H 1 73 MET QG 5.450 . 5.450 5.081 4.898 5.358 . 0 0 "[ . 1 . 2]" 1
1179 1 63 GLU H 1 63 GLU QB 3.290 . 3.290 2.711 2.538 2.790 . 0 0 "[ . 1 . 2]" 1
1180 1 42 GLY H 1 104 VAL HB 4.220 . 4.220 4.238 3.974 4.359 0.139 16 0 "[ . 1 . 2]" 1
1181 1 41 ILE QG 1 42 GLY H 4.840 . 4.840 4.759 4.681 4.898 0.058 15 0 "[ . 1 . 2]" 1
1182 1 41 ILE MD 1 42 GLY H 4.090 . 4.090 3.809 3.645 4.073 . 0 0 "[ . 1 . 2]" 1
1183 1 105 TYR H 1 106 GLN H 4.470 . 4.470 4.414 4.370 4.445 . 0 0 "[ . 1 . 2]" 1
1184 1 110 GLY H 1 111 GLY H 4.390 . 4.390 3.108 1.791 4.375 0.009 4 0 "[ . 1 . 2]" 1
1185 1 63 GLU H 1 78 PHE QD 6.000 . 6.000 6.112 6.056 6.146 0.146 2 0 "[ . 1 . 2]" 1
1186 1 63 GLU H 1 78 PHE QE 6.000 . 6.000 5.921 5.693 6.009 0.009 16 0 "[ . 1 . 2]" 1
1187 1 63 GLU H 1 66 CYS HB2 5.280 . 5.280 5.033 4.847 5.179 . 0 0 "[ . 1 . 2]" 1
1188 1 78 PHE H 1 105 TYR H 5.030 . 5.030 4.859 4.765 4.934 . 0 0 "[ . 1 . 2]" 1
1189 1 43 GLN H 1 105 TYR H 5.990 . 5.990 5.286 4.979 5.742 . 0 0 "[ . 1 . 2]" 1
1190 1 54 MET H 1 56 THR H 4.850 . 4.850 4.088 3.884 4.448 . 0 0 "[ . 1 . 2]" 1
1191 1 78 PHE HA 1 105 TYR H 4.150 . 4.150 3.953 3.866 4.071 . 0 0 "[ . 1 . 2]" 1
1192 1 59 LYS H 1 59 LYS QE 4.740 . 4.740 4.652 4.268 4.770 0.030 3 0 "[ . 1 . 2]" 1
1193 1 59 LYS H 1 87 ASP QB 4.400 . 4.400 4.217 4.010 4.362 . 0 0 "[ . 1 . 2]" 1
1194 1 59 LYS H 1 59 LYS QD 4.160 . 4.160 3.935 3.831 4.054 . 0 0 "[ . 1 . 2]" 1
1195 1 76 LEU HB2 1 105 TYR H 4.430 . 4.430 3.875 3.746 3.972 . 0 0 "[ . 1 . 2]" 1
1196 1 59 LYS H 1 59 LYS HG3 3.840 . 3.840 2.228 2.047 2.408 . 0 0 "[ . 1 . 2]" 1
1197 1 79 LEU MD1 1 105 TYR H 3.700 . 3.700 3.476 3.339 3.670 . 0 0 "[ . 1 . 2]" 1
1198 1 37 LYS H 1 98 GLU H 5.770 . 5.770 5.086 4.752 5.359 . 0 0 "[ . 1 . 2]" 1
1199 1 37 LYS H 1 100 ASP H 5.190 . 5.190 4.973 4.773 5.105 . 0 0 "[ . 1 . 2]" 1
1200 1 39 LYS H 1 101 VAL H 5.490 . 5.490 4.726 4.615 4.829 . 0 0 "[ . 1 . 2]" 1
1201 1 39 LYS H 1 50 PHE HE1 4.620 . 4.620 4.064 3.843 4.333 . 0 0 "[ . 1 . 2]" 1
1202 1 53 LYS H 1 55 THR H 5.490 . 5.490 5.295 4.343 5.474 . 0 0 "[ . 1 . 2]" 1
1203 1 39 LYS H 1 49 HIS HA 5.200 . 5.200 5.079 4.941 5.177 . 0 0 "[ . 1 . 2]" 1
1204 1 39 LYS H 1 101 VAL HA 3.640 . 3.640 2.463 2.374 2.543 . 0 0 "[ . 1 . 2]" 1
1205 1 37 LYS H 1 98 GLU HA 3.880 . 3.880 2.513 2.127 2.809 . 0 0 "[ . 1 . 2]" 1
1206 1 46 SER HB3 1 47 GLU H 4.390 . 4.390 4.252 4.088 4.443 0.053 15 0 "[ . 1 . 2]" 1
1207 1 35 TYR HB3 1 53 LYS H 4.610 . 4.610 4.286 3.687 4.693 0.083 10 0 "[ . 1 . 2]" 1
1208 1 47 GLU H 1 47 GLU QG 3.590 . 3.590 2.427 2.030 2.807 . 0 0 "[ . 1 . 2]" 1
1209 1 52 VAL HB 1 53 LYS H 3.660 . 3.660 2.489 2.305 2.684 . 0 0 "[ . 1 . 2]" 1
1210 1 39 LYS H 1 40 VAL MG2 4.660 . 4.660 4.638 4.577 4.680 0.020 18 0 "[ . 1 . 2]" 1
1211 1 65 TYR H 1 66 CYS H 4.130 . 4.130 2.448 2.416 2.483 . 0 0 "[ . 1 . 2]" 1
1212 1 66 CYS H 1 68 ARG H 4.800 . 4.800 4.035 3.970 4.110 . 0 0 "[ . 1 . 2]" 1
1213 1 48 ILE H 1 50 PHE QD 5.570 . 5.570 5.579 5.507 5.637 0.067 19 0 "[ . 1 . 2]" 1
1214 1 65 TYR HE1 1 66 CYS H 5.180 . 5.180 4.950 4.867 5.038 . 0 0 "[ . 1 . 2]" 1
1215 1 41 ILE HA 1 48 ILE H 4.080 . 4.080 3.982 3.748 4.091 0.011 12 0 "[ . 1 . 2]" 1
1216 1 39 LYS HA 1 48 ILE H 4.590 . 4.590 4.603 4.507 4.661 0.071 4 0 "[ . 1 . 2]" 1
1217 1 66 CYS H 1 66 CYS HB2 4.000 . 4.000 2.398 2.344 2.422 . 0 0 "[ . 1 . 2]" 1
1218 1 66 CYS H 1 66 CYS HB3 3.950 . 3.950 3.585 3.567 3.598 . 0 0 "[ . 1 . 2]" 1
1219 1 66 CYS H 1 67 GLN HG3 5.340 . 5.340 5.331 4.929 5.505 0.165 2 0 "[ . 1 . 2]" 1
1220 1 66 CYS H 1 73 MET ME 4.600 . 4.600 4.491 4.235 4.619 0.019 12 0 "[ . 1 . 2]" 1
1221 1 47 GLU HB2 1 48 ILE H 4.260 . 4.260 4.301 4.147 4.389 0.129 5 0 "[ . 1 . 2]" 1
1222 1 39 LYS HG2 1 48 ILE H 3.840 . 3.840 3.335 3.117 3.490 . 0 0 "[ . 1 . 2]" 1
1223 1 49 HIS H 1 50 PHE H 4.510 . 4.510 4.335 4.173 4.382 . 0 0 "[ . 1 . 2]" 1
1224 1 49 HIS H 1 50 PHE QD 4.840 . 4.840 3.962 3.878 4.063 . 0 0 "[ . 1 . 2]" 1
1225 1 106 GLN H 1 106 GLN HE22 6.000 . 6.000 5.885 5.791 5.955 . 0 0 "[ . 1 . 2]" 1
1226 1 49 HIS H 1 50 PHE HA 5.750 . 5.750 4.937 4.776 4.984 . 0 0 "[ . 1 . 2]" 1
1227 1 48 ILE HA 1 49 HIS H 3.320 . 3.320 2.254 2.211 2.285 . 0 0 "[ . 1 . 2]" 1
1228 1 49 HIS H 1 49 HIS HB2 3.490 . 3.490 2.527 2.482 2.583 . 0 0 "[ . 1 . 2]" 1
1229 1 48 ILE HB 1 49 HIS H 4.210 . 4.210 3.981 3.903 4.084 . 0 0 "[ . 1 . 2]" 1
1230 1 77 ARG QG 1 106 GLN H 4.590 . 4.590 4.334 3.786 4.710 0.120 14 0 "[ . 1 . 2]" 1
1231 1 43 GLN QG 1 106 GLN H 3.650 . 3.650 3.701 3.444 3.854 0.204 18 0 "[ . 1 . 2]" 1
1232 1 106 GLN H 1 106 GLN HB3 3.480 . 3.480 2.716 2.662 2.763 . 0 0 "[ . 1 . 2]" 1
1233 1 106 GLN H 1 107 GLU HB3 5.780 . 5.780 5.452 5.325 5.604 . 0 0 "[ . 1 . 2]" 1
1234 1 43 GLN H 1 45 SER H 4.530 . 4.530 3.995 3.627 4.240 . 0 0 "[ . 1 . 2]" 1
1235 1 106 GLN HE21 1 108 GLN H 4.890 . 4.890 3.190 3.003 3.409 . 0 0 "[ . 1 . 2]" 1
1236 1 35 TYR QE 1 51 LYS H 6.000 . 6.000 5.870 5.120 6.114 0.114 11 0 "[ . 1 . 2]" 1
1237 1 87 ASP H 1 88 ASN HD22 4.480 . 4.480 4.210 4.105 4.397 . 0 0 "[ . 1 . 2]" 1
1238 1 76 LEU HA 1 108 GLN H 4.510 . 4.510 4.296 4.200 4.373 . 0 0 "[ . 1 . 2]" 1
1239 1 106 GLN HA 1 108 GLN H 3.860 . 3.860 3.647 3.535 3.782 . 0 0 "[ . 1 . 2]" 1
1240 1 56 THR HB 1 57 HIS H 5.610 . 5.610 3.851 3.727 3.976 . 0 0 "[ . 1 . 2]" 1
1241 1 43 GLN H 1 46 SER HB2 5.740 . 5.740 5.498 4.402 5.903 0.163 7 0 "[ . 1 . 2]" 1
1242 1 59 LYS HA 1 87 ASP H 5.170 . 5.170 5.129 4.812 5.315 0.145 7 0 "[ . 1 . 2]" 1
1243 1 87 ASP H 1 89 HIS HB2 5.440 . 5.440 4.864 4.773 4.967 . 0 0 "[ . 1 . 2]" 1
1244 1 108 GLN H 1 108 GLN HB2 3.070 . 3.070 2.466 2.405 2.549 . 0 0 "[ . 1 . 2]" 1
1245 1 80 PHE H 1 82 GLY H 3.970 . 3.970 3.734 3.659 3.847 . 0 0 "[ . 1 . 2]" 1
1246 1 62 LYS H 1 65 TYR H 5.270 . 5.270 4.887 4.805 4.948 . 0 0 "[ . 1 . 2]" 1
1247 1 57 HIS H 1 57 HIS HD2 4.170 . 4.170 3.968 3.624 4.212 0.042 3 0 "[ . 1 . 2]" 1
1248 1 62 LYS HA 1 65 TYR H 4.270 . 4.270 3.696 3.532 3.863 . 0 0 "[ . 1 . 2]" 1
1249 1 65 TYR H 1 65 TYR HB3 4.010 . 4.010 2.433 2.395 2.471 . 0 0 "[ . 1 . 2]" 1
1250 1 65 TYR H 1 67 GLN HG3 5.910 . 5.910 5.612 5.211 5.881 . 0 0 "[ . 1 . 2]" 1
1251 1 83 GLN QG 1 84 ARG H 3.430 . 3.430 3.460 3.413 3.509 0.079 20 0 "[ . 1 . 2]" 1
1252 1 83 GLN HB3 1 84 ARG H 4.470 . 4.470 4.425 4.363 4.468 . 0 0 "[ . 1 . 2]" 1
1253 1 40 VAL MG2 1 103 GLU H 6.000 . 6.000 4.458 4.364 4.545 . 0 0 "[ . 1 . 2]" 1
1254 1 62 LYS QG 1 65 TYR H 5.830 . 5.830 5.607 5.500 5.767 . 0 0 "[ . 1 . 2]" 1
1255 1 84 ARG H 1 89 HIS HE1 5.160 . 5.160 4.996 4.675 5.180 0.020 6 0 "[ . 1 . 2]" 1
1256 1 80 PHE QD 1 103 GLU H 4.240 . 4.240 3.612 3.335 3.741 . 0 0 "[ . 1 . 2]" 1
1257 1 79 LEU HA 1 84 ARG H 4.940 . 4.940 4.730 4.597 4.840 . 0 0 "[ . 1 . 2]" 1
1258 1 81 GLU HA 1 82 GLY H 3.500 . 3.500 2.917 2.847 2.968 . 0 0 "[ . 1 . 2]" 1
1259 1 80 PHE HB3 1 82 GLY H 5.780 . 5.780 5.245 5.197 5.288 . 0 0 "[ . 1 . 2]" 1
1260 1 80 PHE HB3 1 103 GLU H 6.000 . 6.000 5.267 4.974 5.410 . 0 0 "[ . 1 . 2]" 1
1261 1 81 GLU HG2 1 82 GLY H 4.630 . 4.630 4.574 4.510 4.649 0.019 4 0 "[ . 1 . 2]" 1
1262 1 40 VAL HA 1 103 GLU H 5.390 . 5.390 5.320 5.233 5.391 0.001 12 0 "[ . 1 . 2]" 1
1263 1 65 TYR HE2 1 78 PHE H 5.730 . 5.730 5.749 5.561 5.827 0.097 15 0 "[ . 1 . 2]" 1
1264 1 37 LYS QE 1 38 LEU H 5.480 . 5.480 5.428 5.261 5.523 0.043 19 0 "[ . 1 . 2]" 1
1265 1 37 LYS HB3 1 38 LEU H 3.920 . 3.920 3.016 2.898 3.127 . 0 0 "[ . 1 . 2]" 1
1266 1 77 ARG QG 1 78 PHE H 4.820 . 4.820 4.339 4.151 4.662 . 0 0 "[ . 1 . 2]" 1
1267 1 79 LEU HG 1 80 PHE H 5.220 . 5.220 4.565 4.496 4.631 . 0 0 "[ . 1 . 2]" 1
1268 1 36 ILE MD 1 38 LEU H 5.620 . 5.620 5.440 5.388 5.483 . 0 0 "[ . 1 . 2]" 1
1269 1 73 MET H 1 75 SER HB2 6.000 . 6.000 5.610 5.497 5.727 . 0 0 "[ . 1 . 2]" 1
1270 1 80 PHE H 1 82 GLY HA2 6.000 . 6.000 4.924 4.846 5.043 . 0 0 "[ . 1 . 2]" 1
1271 1 80 PHE H 1 81 GLU HA 5.840 . 5.840 5.666 5.624 5.693 . 0 0 "[ . 1 . 2]" 1
1272 1 77 ARG H 1 77 ARG HE 5.950 . 5.950 4.623 4.205 5.538 . 0 0 "[ . 1 . 2]" 1
1273 1 80 PHE H 1 83 GLN HE22 5.780 . 5.780 5.747 5.688 5.812 0.032 11 0 "[ . 1 . 2]" 1
1274 1 77 ARG H 1 105 TYR QD 5.280 . 5.280 5.112 4.984 5.303 0.023 10 0 "[ . 1 . 2]" 1
1275 1 78 PHE HA 1 85 ILE H 6.000 . 6.000 5.106 4.926 5.243 . 0 0 "[ . 1 . 2]" 1
1276 1 77 ARG H 1 105 TYR HA 4.640 . 4.640 4.453 4.383 4.638 . 0 0 "[ . 1 . 2]" 1
1277 1 72 PRO QD 1 73 MET H 5.300 . 5.300 4.981 4.938 4.993 . 0 0 "[ . 1 . 2]" 1
1278 1 66 CYS HB2 1 73 MET H 5.750 . 5.750 5.010 4.796 5.374 . 0 0 "[ . 1 . 2]" 1
1279 1 77 ARG H 1 105 TYR HB2 4.620 . 4.620 3.738 3.518 3.957 . 0 0 "[ . 1 . 2]" 1
1280 1 72 PRO QB 1 73 MET H 3.680 . 3.680 2.853 2.570 2.899 . 0 0 "[ . 1 . 2]" 1
1281 1 80 PHE H 1 102 ILE MG 4.140 . 4.140 4.125 4.078 4.161 0.021 12 0 "[ . 1 . 2]" 1
1282 1 38 LEU H 1 50 PHE H 4.390 . 4.390 3.173 3.024 3.358 . 0 0 "[ . 1 . 2]" 1
1283 1 50 PHE H 1 51 LYS H 4.440 . 4.440 4.370 4.305 4.458 0.018 12 0 "[ . 1 . 2]" 1
1284 1 40 VAL H 1 48 ILE HA 4.850 . 4.850 4.582 4.520 4.632 . 0 0 "[ . 1 . 2]" 1
1285 1 49 HIS HB2 1 50 PHE H 4.240 . 4.240 4.208 4.138 4.297 0.057 5 0 "[ . 1 . 2]" 1
1286 1 40 VAL H 1 47 GLU HB2 5.970 . 5.970 6.059 5.913 6.207 0.237 5 0 "[ . 1 . 2]" 1
1287 1 40 VAL H 1 48 ILE QG 4.560 . 4.560 4.391 4.257 4.510 . 0 0 "[ . 1 . 2]" 1
1288 1 39 LYS H 1 102 ILE H 4.000 . 4.000 3.801 3.701 3.896 . 0 0 "[ . 1 . 2]" 1
1289 1 35 TYR H 1 36 ILE H 4.650 . 4.650 4.442 4.359 4.600 . 0 0 "[ . 1 . 2]" 1
1290 1 36 ILE H 1 98 GLU HA 5.740 . 5.740 5.650 5.556 5.789 0.049 20 0 "[ . 1 . 2]" 1
1291 1 96 MET H 1 97 GLU H 4.530 . 4.530 4.499 4.478 4.517 . 0 0 "[ . 1 . 2]" 1
1292 1 97 GLU H 1 100 ASP HB3 4.990 . 4.990 3.153 2.962 3.393 . 0 0 "[ . 1 . 2]" 1
1293 1 58 LEU H 1 87 ASP HA 5.610 . 5.610 4.726 4.456 4.892 . 0 0 "[ . 1 . 2]" 1
1294 1 58 LEU H 1 91 PRO QD 5.870 . 5.870 3.545 3.324 3.690 . 0 0 "[ . 1 . 2]" 1
1295 1 58 LEU H 1 89 HIS HB2 5.800 . 5.800 4.531 4.380 4.684 . 0 0 "[ . 1 . 2]" 1
1296 1 58 LEU H 1 58 LEU HG 4.640 . 4.640 4.320 4.118 4.431 . 0 0 "[ . 1 . 2]" 1
1297 1 58 LEU H 1 61 LEU HB2 5.820 . 5.820 5.838 5.659 5.903 0.083 15 0 "[ . 1 . 2]" 1
1298 1 80 PHE QE 1 81 GLU H 4.210 . 4.210 4.243 4.153 4.291 0.081 2 0 "[ . 1 . 2]" 1
1299 1 81 GLU H 1 82 GLY HA2 5.180 . 5.180 5.163 5.118 5.194 0.014 11 0 "[ . 1 . 2]" 1
1300 1 81 GLU H 1 82 GLY HA3 5.450 . 5.450 5.434 5.398 5.455 0.005 3 0 "[ . 1 . 2]" 1
1301 1 79 LEU H 1 105 TYR QD 4.580 . 4.580 4.612 4.533 4.686 0.106 2 0 "[ . 1 . 2]" 1
1302 1 79 LEU H 1 80 PHE HA 5.760 . 5.760 4.814 4.771 4.857 . 0 0 "[ . 1 . 2]" 1
1303 1 77 ARG HA 1 79 LEU H 6.000 . 6.000 5.734 5.626 5.912 . 0 0 "[ . 1 . 2]" 1
1304 1 79 LEU H 1 103 GLU HG2 6.000 . 6.000 5.630 4.354 5.960 . 0 0 "[ . 1 . 2]" 1
1305 1 88 ASN HD22 1 89 HIS H 5.430 . 5.430 5.613 5.559 5.674 0.244 12 0 "[ . 1 . 2]" 1
1306 1 48 ILE HA 1 49 HIS HD2 3.980 . 3.980 3.300 3.153 3.479 . 0 0 "[ . 1 . 2]" 1
1307 1 88 ASN HA 1 88 ASN HD22 4.730 . 4.730 4.519 4.412 4.645 . 0 0 "[ . 1 . 2]" 1
1308 1 65 TYR HE1 1 66 CYS HA 4.060 . 4.060 3.861 3.772 3.980 . 0 0 "[ . 1 . 2]" 1
1309 1 49 HIS HB2 1 49 HIS HD2 3.520 . 3.520 3.322 3.252 3.388 . 0 0 "[ . 1 . 2]" 1
1310 1 88 ASN HB2 1 88 ASN HD22 3.820 . 3.820 3.461 3.447 3.496 . 0 0 "[ . 1 . 2]" 1
1311 1 103 GLU HG3 1 105 TYR QE 3.350 . 3.350 2.792 2.664 3.105 . 0 0 "[ . 1 . 2]" 1
1312 1 79 LEU HG 1 105 TYR QE 3.540 . 3.540 3.608 3.451 3.712 0.172 12 0 "[ . 1 . 2]" 1
1313 1 65 TYR HE1 1 104 VAL HB 4.180 . 4.180 3.937 3.841 4.122 . 0 0 "[ . 1 . 2]" 1
1314 1 40 VAL MG1 1 65 TYR HE1 2.960 . 2.960 3.031 2.964 3.092 0.132 1 0 "[ . 1 . 2]" 1
1315 1 79 LEU MD2 1 105 TYR QE 3.390 . 3.390 2.996 2.825 3.178 . 0 0 "[ . 1 . 2]" 1
1316 1 65 TYR QD 1 69 GLN HE22 3.260 . 3.260 2.320 2.208 2.463 . 0 0 "[ . 1 . 2]" 1
1317 1 65 TYR HE1 1 69 GLN HE22 3.630 . 3.630 2.198 2.042 2.409 . 0 0 "[ . 1 . 2]" 1
1318 1 106 GLN HA 1 106 GLN HE22 4.220 . 4.220 3.347 3.296 3.402 . 0 0 "[ . 1 . 2]" 1
1319 1 74 ASN HB2 1 74 ASN HD22 4.000 . 4.000 3.663 3.488 3.822 . 0 0 "[ . 1 . 2]" 1
1320 1 72 PRO QB 1 74 ASN HD22 3.660 . 3.660 2.701 2.580 2.960 . 0 0 "[ . 1 . 2]" 1
1321 1 106 GLN HE22 1 108 GLN QG 3.580 . 3.580 3.304 2.982 3.584 0.004 14 0 "[ . 1 . 2]" 1
1322 1 76 LEU HB2 1 106 GLN HE22 4.150 . 4.150 4.174 4.093 4.306 0.156 3 0 "[ . 1 . 2]" 1
1323 1 48 ILE QG 1 69 GLN HE22 4.220 . 4.220 4.233 4.118 4.287 0.067 6 0 "[ . 1 . 2]" 1
1324 1 69 GLN HE22 1 76 LEU QD 3.490 . 3.490 2.159 2.032 2.273 . 0 0 "[ . 1 . 2]" 1
1325 1 35 TYR QD 1 36 ILE H 3.810 . 3.810 3.187 2.740 3.559 . 0 0 "[ . 1 . 2]" 1
1326 1 35 TYR QD 1 52 VAL H 4.210 . 4.210 3.554 3.276 4.162 . 0 0 "[ . 1 . 2]" 1
1327 1 105 TYR H 1 105 TYR QD 3.480 . 3.480 3.042 2.856 3.191 . 0 0 "[ . 1 . 2]" 1
1328 1 35 TYR H 1 35 TYR QD 3.190 . 3.190 2.603 2.120 3.148 . 0 0 "[ . 1 . 2]" 1
1329 1 34 GLU H 1 35 TYR QD 4.040 . 4.040 3.437 2.669 4.105 0.065 3 0 "[ . 1 . 2]" 1
1330 1 16 SER H 1 18 GLN HE22 5.110 . 5.110 4.572 1.868 5.283 0.173 18 0 "[ . 1 . 2]" 1
1331 1 35 TYR QD 1 37 LYS HA 4.480 . 4.480 4.125 3.906 4.407 . 0 0 "[ . 1 . 2]" 1
1332 1 57 HIS HD2 1 90 THR HA 4.930 . 4.930 4.074 3.865 4.339 . 0 0 "[ . 1 . 2]" 1
1333 1 35 TYR HA 1 35 TYR QD 4.050 . 4.050 3.738 3.709 3.761 . 0 0 "[ . 1 . 2]" 1
1334 1 76 LEU HA 1 106 GLN HE22 4.260 . 4.260 3.658 3.500 3.928 . 0 0 "[ . 1 . 2]" 1
1335 1 35 TYR QD 1 36 ILE HA 4.100 . 4.100 3.649 3.367 4.119 0.019 5 0 "[ . 1 . 2]" 1
1336 1 104 VAL HA 1 105 TYR QD 4.330 . 4.330 3.714 3.564 3.886 . 0 0 "[ . 1 . 2]" 1
1337 1 35 TYR QD 1 51 LYS HA 3.910 . 3.910 3.567 3.307 3.931 0.021 13 0 "[ . 1 . 2]" 1
1338 1 75 SER HB3 1 106 GLN HE22 4.850 . 4.850 3.285 2.982 3.429 . 0 0 "[ . 1 . 2]" 1
1339 1 103 GLU HG3 1 105 TYR QD 3.470 . 3.470 3.310 3.070 3.620 0.150 12 0 "[ . 1 . 2]" 1
1340 1 79 LEU HG 1 105 TYR QD 3.720 . 3.720 3.628 3.498 3.743 0.023 13 0 "[ . 1 . 2]" 1
1341 1 35 TYR QD 1 37 LYS QG 3.600 . 3.600 3.384 3.082 3.716 0.116 5 0 "[ . 1 . 2]" 1
1342 1 43 GLN H 1 43 GLN HE22 4.560 . 4.560 3.018 2.345 3.373 . 0 0 "[ . 1 . 2]" 1
1343 1 43 GLN HE22 1 44 ASP H 4.910 . 4.910 3.031 2.428 3.948 . 0 0 "[ . 1 . 2]" 1
1344 1 80 PHE QE 1 83 GLN HE22 4.490 . 4.490 4.156 3.891 4.351 . 0 0 "[ . 1 . 2]" 1
1345 1 83 GLN HE22 1 94 LEU HA 4.380 . 4.380 3.005 2.658 3.311 . 0 0 "[ . 1 . 2]" 1
1346 1 43 GLN HE22 1 46 SER HB2 5.010 . 5.010 4.522 3.679 5.113 0.103 14 0 "[ . 1 . 2]" 1
1347 1 43 GLN HE22 1 46 SER HB3 4.260 . 4.260 4.302 4.036 4.510 0.250 9 0 "[ . 1 . 2]" 1
1348 1 83 GLN HB2 1 83 GLN HE22 4.890 . 4.890 4.529 4.477 4.572 . 0 0 "[ . 1 . 2]" 1
1349 1 81 GLU HG3 1 83 GLN HE22 4.290 . 4.290 3.718 3.594 3.913 . 0 0 "[ . 1 . 2]" 1
1350 1 83 GLN HE22 1 85 ILE MD 5.640 . 5.640 4.600 4.515 4.673 . 0 0 "[ . 1 . 2]" 1
1351 1 43 GLN HE22 1 104 VAL MG1 5.170 . 5.170 4.141 2.991 4.757 . 0 0 "[ . 1 . 2]" 1
1352 1 86 ALA H 1 88 ASN H 4.950 . 4.950 4.722 4.591 4.860 . 0 0 "[ . 1 . 2]" 1
1353 1 86 ALA H 1 88 ASN HD21 5.950 . 5.950 6.038 5.890 6.106 0.156 14 0 "[ . 1 . 2]" 1
1354 1 78 PHE QD 1 86 ALA H 6.000 . 6.000 5.727 5.644 5.811 . 0 0 "[ . 1 . 2]" 1
1355 1 78 PHE QE 1 86 ALA H 6.000 . 6.000 6.033 5.933 6.068 0.068 11 0 "[ . 1 . 2]" 1
1356 1 86 ALA H 1 90 THR H 6.000 . 6.000 6.169 6.094 6.231 0.231 13 0 "[ . 1 . 2]" 1
1357 1 86 ALA H 1 89 HIS HA 4.930 . 4.930 4.730 4.610 4.810 . 0 0 "[ . 1 . 2]" 1
1358 1 86 ALA H 1 87 ASP HA 5.440 . 5.440 5.333 5.291 5.417 . 0 0 "[ . 1 . 2]" 1
1359 1 84 ARG QD 1 86 ALA H 5.660 . 5.660 4.695 3.432 5.554 . 0 0 "[ . 1 . 2]" 1
1360 1 86 ALA H 1 89 HIS HB3 4.910 . 4.910 3.408 3.349 3.507 . 0 0 "[ . 1 . 2]" 1
1361 1 83 GLN QG 1 86 ALA H 5.540 . 5.540 5.057 4.910 5.257 . 0 0 "[ . 1 . 2]" 1
1362 1 85 ILE QG 1 86 ALA H 4.850 . 4.850 4.818 4.780 4.853 0.003 16 0 "[ . 1 . 2]" 1
1363 1 62 LYS QD 1 86 ALA H 5.640 . 5.640 4.629 4.495 4.830 . 0 0 "[ . 1 . 2]" 1
1364 1 85 ILE MD 1 86 ALA H 4.110 . 4.110 3.932 3.867 3.985 . 0 0 "[ . 1 . 2]" 1
1365 1 86 ALA H 1 94 LEU MD1 4.140 . 4.140 3.579 3.448 3.716 . 0 0 "[ . 1 . 2]" 1
1366 1 80 PHE QE 1 102 ILE HA 3.960 . 3.960 3.976 3.819 4.039 0.079 20 0 "[ . 1 . 2]" 1
1367 1 65 TYR H 1 65 TYR QD 3.500 . 3.500 2.699 2.643 2.732 . 0 0 "[ . 1 . 2]" 1
1368 1 65 TYR QD 1 66 CYS H 3.560 . 3.560 3.347 3.281 3.394 . 0 0 "[ . 1 . 2]" 1
1369 1 63 GLU H 1 65 TYR QD 4.760 . 4.760 4.758 4.717 4.802 0.042 20 0 "[ . 1 . 2]" 1
1370 1 64 SER H 1 65 TYR QD 4.430 . 4.430 4.451 4.423 4.492 0.062 8 0 "[ . 1 . 2]" 1
1371 1 65 TYR QD 1 69 GLN H 4.930 . 4.930 4.662 4.553 4.798 . 0 0 "[ . 1 . 2]" 1
1372 1 65 TYR QD 1 66 CYS HA 3.650 . 3.650 3.404 3.323 3.548 . 0 0 "[ . 1 . 2]" 1
1373 1 62 LYS HA 1 65 TYR QD 3.100 . 3.100 1.987 1.855 2.116 . 0 0 "[ . 1 . 2]" 1
1374 1 65 TYR QD 1 78 PHE HB3 5.010 . 5.010 4.863 4.716 4.953 . 0 0 "[ . 1 . 2]" 1
1375 1 65 TYR QD 1 69 GLN QG 3.970 . 3.970 3.621 3.515 3.747 . 0 0 "[ . 1 . 2]" 1
1376 1 62 LYS QB 1 65 TYR QD 4.030 . 4.030 3.899 3.650 4.084 0.054 17 0 "[ . 1 . 2]" 1
1377 1 61 LEU HB3 1 65 TYR QD 5.350 . 5.350 4.787 4.566 5.039 . 0 0 "[ . 1 . 2]" 1
1378 1 48 ILE QG 1 65 TYR QD 3.960 . 3.960 2.720 2.540 2.847 . 0 0 "[ . 1 . 2]" 1
1379 1 65 TYR QD 1 76 LEU QD 4.380 . 4.380 3.631 3.527 3.801 . 0 0 "[ . 1 . 2]" 1
1380 1 40 VAL MG2 1 65 TYR QD 3.300 . 3.300 3.014 2.951 3.097 . 0 0 "[ . 1 . 2]" 1
1381 1 62 LYS QG 1 65 TYR QD 5.130 . 5.130 4.497 3.899 4.947 . 0 0 "[ . 1 . 2]" 1
1382 1 57 HIS HD2 1 58 LEU H 4.320 . 4.320 3.877 3.511 4.213 . 0 0 "[ . 1 . 2]" 1
1383 1 104 VAL H 1 105 TYR QD 4.640 . 4.640 4.775 4.677 4.857 0.217 2 0 "[ . 1 . 2]" 1
1384 1 57 HIS HD2 1 88 ASN HA 3.980 . 3.980 3.806 3.335 4.076 0.096 1 0 "[ . 1 . 2]" 1
1385 1 38 LEU H 1 50 PHE QD 4.390 . 4.390 3.121 3.020 3.198 . 0 0 "[ . 1 . 2]" 1
1386 1 50 PHE QD 1 51 LYS H 4.200 . 4.200 4.031 3.740 4.263 0.063 8 0 "[ . 1 . 2]" 1
1387 1 38 LEU HB2 1 50 PHE HE1 3.590 . 3.590 1.870 1.822 1.916 . 0 0 "[ . 1 . 2]" 1
1388 1 80 PHE QD 1 102 ILE H 5.330 . 5.330 4.866 4.715 4.955 . 0 0 "[ . 1 . 2]" 1
1389 1 80 PHE QD 1 101 VAL H 4.890 . 4.890 4.853 4.705 4.937 0.047 19 0 "[ . 1 . 2]" 1
1390 1 80 PHE QD 1 83 GLN HE21 4.870 . 4.870 2.204 2.067 2.282 . 0 0 "[ . 1 . 2]" 1
1391 1 80 PHE HA 1 80 PHE QD 3.580 . 3.580 2.661 2.612 2.741 . 0 0 "[ . 1 . 2]" 1
1392 1 80 PHE QD 1 83 GLN QG 4.610 . 4.610 3.548 3.448 3.615 . 0 0 "[ . 1 . 2]" 1
1393 1 80 PHE QD 1 81 GLU HB2 4.730 . 4.730 4.765 4.699 4.809 0.079 16 0 "[ . 1 . 2]" 1
1394 1 80 PHE QD 1 81 GLU HB3 3.670 . 3.670 3.518 3.393 3.605 . 0 0 "[ . 1 . 2]" 1
1395 1 80 PHE QD 1 81 GLU HG2 3.980 . 3.980 2.209 2.142 2.343 . 0 0 "[ . 1 . 2]" 1
1396 1 80 PHE QD 1 102 ILE MG 3.840 . 3.840 3.159 2.942 3.294 . 0 0 "[ . 1 . 2]" 1
1397 1 79 LEU H 1 104 VAL MG2 4.230 . 4.230 3.577 3.454 3.677 . 0 0 "[ . 1 . 2]" 1
1398 1 103 GLU H 1 104 VAL MG2 4.510 . 4.510 4.095 4.054 4.157 . 0 0 "[ . 1 . 2]" 1
1399 1 43 GLN HE21 1 104 VAL MG2 5.250 . 5.250 4.646 3.697 5.197 . 0 0 "[ . 1 . 2]" 1
1400 1 79 LEU HA 1 104 VAL MG2 6.000 . 6.000 5.824 5.699 5.933 . 0 0 "[ . 1 . 2]" 1
1401 1 40 VAL HA 1 104 VAL MG2 4.070 . 4.070 3.869 3.812 3.967 . 0 0 "[ . 1 . 2]" 1
1402 1 78 PHE HA 1 104 VAL MG2 3.630 . 3.630 2.411 2.265 2.596 . 0 0 "[ . 1 . 2]" 1
1403 1 42 GLY QA 1 104 VAL MG2 4.040 . 4.040 3.118 2.929 3.237 . 0 0 "[ . 1 . 2]" 1
1404 1 65 TYR HB2 1 104 VAL MG2 5.150 . 5.150 4.886 4.779 5.067 . 0 0 "[ . 1 . 2]" 1
1405 1 78 PHE HB2 1 104 VAL MG2 4.010 . 4.010 3.865 3.724 4.013 0.003 6 0 "[ . 1 . 2]" 1
1406 1 40 VAL HB 1 104 VAL MG2 4.190 . 4.190 4.128 4.035 4.186 . 0 0 "[ . 1 . 2]" 1
1407 1 103 GLU HG3 1 104 VAL MG2 4.610 . 4.610 4.649 4.610 4.680 0.070 8 0 "[ . 1 . 2]" 1
1408 1 103 GLU QB 1 104 VAL MG2 4.820 . 4.820 4.531 4.476 4.575 . 0 0 "[ . 1 . 2]" 1
1409 1 102 ILE HB 1 104 VAL MG2 3.840 . 3.840 3.684 3.576 3.763 . 0 0 "[ . 1 . 2]" 1
1410 1 102 ILE MG 1 104 VAL MG2 3.230 . 3.230 3.143 3.069 3.215 . 0 0 "[ . 1 . 2]" 1
1411 1 76 LEU QD 1 104 VAL MG2 3.480 . 3.480 3.275 3.153 3.386 . 0 0 "[ . 1 . 2]" 1
1412 1 40 VAL MG2 1 104 VAL MG2 2.870 . 2.870 2.381 2.220 2.447 . 0 0 "[ . 1 . 2]" 1
1413 1 77 ARG H 1 104 VAL MG1 3.680 . 3.680 2.820 2.655 3.103 . 0 0 "[ . 1 . 2]" 1
1414 1 61 LEU MD2 1 65 TYR H 4.130 . 4.130 3.799 3.751 3.853 . 0 0 "[ . 1 . 2]" 1
1415 1 43 GLN H 1 104 VAL MG1 3.790 . 3.790 2.860 2.556 3.211 . 0 0 "[ . 1 . 2]" 1
1416 1 61 LEU MD2 1 64 SER H 4.680 . 4.680 4.648 4.577 4.722 0.042 15 0 "[ . 1 . 2]" 1
1417 1 43 GLN HE21 1 104 VAL MG1 4.440 . 4.440 2.788 1.940 3.328 . 0 0 "[ . 1 . 2]" 1
1418 1 61 LEU MD2 1 62 LYS H 3.800 . 3.800 3.081 2.974 3.183 . 0 0 "[ . 1 . 2]" 1
1419 1 50 PHE HE2 1 61 LEU MD2 3.620 . 3.620 3.653 3.605 3.732 0.112 11 0 "[ . 1 . 2]" 1
1420 1 78 PHE HA 1 104 VAL MG1 3.540 . 3.540 3.206 3.054 3.356 . 0 0 "[ . 1 . 2]" 1
1421 1 61 LEU MD2 1 64 SER QB 4.320 . 4.320 4.128 4.006 4.280 . 0 0 "[ . 1 . 2]" 1
1422 1 61 LEU HA 1 61 LEU MD2 3.860 . 3.860 3.201 3.161 3.236 . 0 0 "[ . 1 . 2]" 1
1423 1 42 GLY QA 1 104 VAL MG1 3.980 . 3.980 2.724 2.567 2.829 . 0 0 "[ . 1 . 2]" 1
1424 1 61 LEU MD2 1 65 TYR HB2 4.960 . 4.960 4.551 4.409 4.721 . 0 0 "[ . 1 . 2]" 1
1425 1 61 LEU MD2 1 62 LYS HA 3.520 . 3.520 2.709 2.567 2.853 . 0 0 "[ . 1 . 2]" 1
1426 1 43 GLN QG 1 104 VAL MG1 3.540 . 3.540 2.341 1.970 2.753 . 0 0 "[ . 1 . 2]" 1
1427 1 76 LEU HB2 1 104 VAL MG1 3.280 . 3.280 2.172 2.069 2.270 . 0 0 "[ . 1 . 2]" 1
1428 1 61 LEU HB2 1 61 LEU MD2 3.290 . 3.290 3.178 3.166 3.185 . 0 0 "[ . 1 . 2]" 1
1429 1 76 LEU HB3 1 104 VAL MG1 3.360 . 3.360 3.232 3.147 3.321 . 0 0 "[ . 1 . 2]" 1
1430 1 58 LEU QD 1 61 LEU MD2 2.930 . 2.930 2.030 1.906 2.107 . 0 0 "[ . 1 . 2]" 1
1431 1 61 LEU MD2 1 62 LYS QG 4.230 . 4.230 3.570 2.752 4.221 . 0 0 "[ . 1 . 2]" 1
1432 1 86 ALA H 1 94 LEU MD2 4.520 . 4.520 4.426 4.342 4.549 0.029 1 0 "[ . 1 . 2]" 1
1433 1 92 LYS H 1 94 LEU MD2 5.750 . 5.750 5.827 5.754 5.860 0.110 5 0 "[ . 1 . 2]" 1
1434 1 93 GLU H 1 94 LEU MD2 4.090 . 4.090 4.165 4.134 4.197 0.107 5 0 "[ . 1 . 2]" 1
1435 1 90 THR H 1 94 LEU MD2 3.390 . 3.390 3.156 3.077 3.202 . 0 0 "[ . 1 . 2]" 1
1436 1 89 HIS HD2 1 94 LEU MD2 3.660 . 3.660 3.176 3.039 3.362 . 0 0 "[ . 1 . 2]" 1
1437 1 90 THR HA 1 94 LEU MD2 5.270 . 5.270 5.115 5.061 5.185 . 0 0 "[ . 1 . 2]" 1
1438 1 89 HIS HA 1 94 LEU MD2 3.830 . 3.830 3.408 3.330 3.486 . 0 0 "[ . 1 . 2]" 1
1439 1 40 VAL MG2 1 103 GLU HA 4.970 . 4.970 4.578 4.470 4.716 . 0 0 "[ . 1 . 2]" 1
1440 1 85 ILE HA 1 94 LEU MD2 4.300 . 4.300 4.415 4.359 4.453 0.153 7 0 "[ . 1 . 2]" 1
1441 1 61 LEU HG 1 64 SER QB 4.060 . 4.060 4.083 3.936 4.183 0.123 19 0 "[ . 1 . 2]" 1
1442 1 61 LEU HA 1 61 LEU HG 3.380 . 3.380 2.550 2.489 2.595 . 0 0 "[ . 1 . 2]" 1
1443 1 89 HIS HB2 1 94 LEU MD2 4.090 . 4.090 3.790 3.691 3.898 . 0 0 "[ . 1 . 2]" 1
1444 1 50 PHE HB2 1 61 LEU HG 3.980 . 3.980 3.836 3.535 4.013 0.033 13 0 "[ . 1 . 2]" 1
1445 1 89 HIS HB3 1 94 LEU MD2 3.880 . 3.880 2.599 2.490 2.759 . 0 0 "[ . 1 . 2]" 1
1446 1 83 GLN QG 1 94 LEU MD2 3.920 . 3.920 3.719 3.522 3.836 . 0 0 "[ . 1 . 2]" 1
1447 1 94 LEU MD2 1 96 MET ME 3.820 . 3.820 3.925 3.902 3.953 0.133 14 0 "[ . 1 . 2]" 1
1448 1 61 LEU HG 1 62 LYS QG 6.000 . 6.000 5.638 5.031 6.080 0.080 13 0 "[ . 1 . 2]" 1
1449 1 40 VAL MG2 1 79 LEU H 5.560 . 5.560 5.361 5.230 5.489 . 0 0 "[ . 1 . 2]" 1
1450 1 40 VAL HA 1 40 VAL MG2 3.410 . 3.410 2.156 2.130 2.181 . 0 0 "[ . 1 . 2]" 1
1451 1 39 LYS HA 1 40 VAL MG2 4.210 . 4.210 4.315 4.282 4.352 0.142 19 0 "[ . 1 . 2]" 1
1452 1 40 VAL MG2 1 48 ILE HB 4.090 . 4.090 3.955 3.819 4.073 . 0 0 "[ . 1 . 2]" 1
1453 1 36 ILE H 1 36 ILE MD 3.920 . 3.920 3.882 3.782 3.969 0.049 20 0 "[ . 1 . 2]" 1
1454 1 36 ILE MD 1 37 LYS H 4.090 . 4.090 3.878 3.782 3.947 . 0 0 "[ . 1 . 2]" 1
1455 1 36 ILE MD 1 100 ASP H 4.200 . 4.200 4.223 4.126 4.282 0.082 18 0 "[ . 1 . 2]" 1
1456 1 36 ILE MD 1 55 THR H 6.000 . 6.000 5.829 5.536 6.000 0.000 15 0 "[ . 1 . 2]" 1
1457 1 36 ILE MD 1 37 LYS HA 5.110 . 5.110 5.095 5.054 5.125 0.015 12 0 "[ . 1 . 2]" 1
1458 1 35 TYR HA 1 36 ILE MD 5.300 . 5.300 5.217 5.096 5.318 0.018 9 0 "[ . 1 . 2]" 1
1459 1 36 ILE MD 1 97 GLU HA 3.570 . 3.570 2.834 2.575 3.169 . 0 0 "[ . 1 . 2]" 1
1460 1 36 ILE MD 1 98 GLU HA 3.500 . 3.500 2.748 2.529 3.024 . 0 0 "[ . 1 . 2]" 1
1461 1 36 ILE MD 1 54 MET HA 4.130 . 4.130 3.104 2.785 3.312 . 0 0 "[ . 1 . 2]" 1
1462 1 36 ILE MD 1 53 LYS HA 5.090 . 5.090 4.662 4.434 4.952 . 0 0 "[ . 1 . 2]" 1
1463 1 36 ILE MD 1 91 PRO QD 5.550 . 5.550 4.661 4.462 4.820 . 0 0 "[ . 1 . 2]" 1
1464 1 36 ILE MD 1 54 MET QG 4.280 . 4.280 2.213 1.956 2.499 . 0 0 "[ . 1 . 2]" 1
1465 1 36 ILE MD 1 52 VAL MG2 3.820 . 3.820 3.217 3.026 3.466 . 0 0 "[ . 1 . 2]" 1
1466 1 84 ARG H 1 94 LEU MD1 5.780 . 5.780 5.967 5.892 6.054 0.274 11 0 "[ . 1 . 2]" 1
1467 1 80 PHE QD 1 94 LEU MD1 3.500 . 3.500 3.472 3.234 3.579 0.079 20 0 "[ . 1 . 2]" 1
1468 1 79 LEU HA 1 94 LEU MD1 5.120 . 5.120 5.058 4.997 5.129 0.009 14 0 "[ . 1 . 2]" 1
1469 1 85 ILE HA 1 94 LEU MD1 3.510 . 3.510 2.872 2.798 2.932 . 0 0 "[ . 1 . 2]" 1
1470 1 94 LEU HA 1 94 LEU MD1 3.650 . 3.650 3.639 3.613 3.657 0.007 1 0 "[ . 1 . 2]" 1
1471 1 89 HIS HB2 1 94 LEU MD1 4.030 . 4.030 3.226 3.126 3.392 . 0 0 "[ . 1 . 2]" 1
1472 1 80 PHE HB2 1 94 LEU MD1 4.230 . 4.230 4.053 3.834 4.215 . 0 0 "[ . 1 . 2]" 1
1473 1 89 HIS HB3 1 94 LEU MD1 3.650 . 3.650 2.165 2.048 2.313 . 0 0 "[ . 1 . 2]" 1
1474 1 80 PHE HB3 1 94 LEU MD1 3.880 . 3.880 3.112 2.898 3.246 . 0 0 "[ . 1 . 2]" 1
1475 1 83 GLN QG 1 94 LEU MD1 4.170 . 4.170 2.800 2.751 2.850 . 0 0 "[ . 1 . 2]" 1
1476 1 94 LEU MD1 1 96 MET ME 3.640 . 3.640 1.907 1.855 1.965 . 0 0 "[ . 1 . 2]" 1
1477 1 85 ILE MD 1 94 LEU MD1 2.820 . 2.820 1.867 1.831 1.895 . 0 0 "[ . 1 . 2]" 1
1478 1 79 LEU H 1 79 LEU MD2 3.700 . 3.700 3.676 3.619 3.724 0.024 17 0 "[ . 1 . 2]" 1
1479 1 38 LEU HG 1 99 GLU H 4.960 . 4.960 3.540 3.308 3.781 . 0 0 "[ . 1 . 2]" 1
1480 1 79 LEU MD2 1 81 GLU H 5.110 . 5.110 3.328 3.250 3.435 . 0 0 "[ . 1 . 2]" 1
1481 1 79 LEU MD2 1 82 GLY H 3.160 . 3.160 2.030 1.906 2.090 . 0 0 "[ . 1 . 2]" 1
1482 1 38 LEU HG 1 39 LYS H 4.170 . 4.170 4.032 3.940 4.127 . 0 0 "[ . 1 . 2]" 1
1483 1 79 LEU MD2 1 83 GLN H 3.640 . 3.640 2.552 2.496 2.613 . 0 0 "[ . 1 . 2]" 1
1484 1 61 LEU MD1 1 62 LYS H 4.630 . 4.630 4.456 4.396 4.498 . 0 0 "[ . 1 . 2]" 1
1485 1 79 LEU MD2 1 80 PHE QD 4.520 . 4.520 4.631 4.573 4.661 0.141 4 0 "[ . 1 . 2]" 1
1486 1 50 PHE HE1 1 61 LEU MD1 3.570 . 3.570 1.940 1.890 1.993 . 0 0 "[ . 1 . 2]" 1
1487 1 79 LEU HA 1 79 LEU MD2 3.460 . 3.460 3.516 3.504 3.536 0.076 16 0 "[ . 1 . 2]" 1
1488 1 79 LEU MD2 1 80 PHE HA 3.790 . 3.790 2.559 2.508 2.601 . 0 0 "[ . 1 . 2]" 1
1489 1 38 LEU HA 1 38 LEU HG 3.380 . 3.380 2.398 2.324 2.445 . 0 0 "[ . 1 . 2]" 1
1490 1 79 LEU MD2 1 82 GLY HA2 3.470 . 3.470 2.239 2.141 2.327 . 0 0 "[ . 1 . 2]" 1
1491 1 58 LEU HA 1 61 LEU MD1 4.310 . 4.310 3.310 3.192 3.428 . 0 0 "[ . 1 . 2]" 1
1492 1 61 LEU MD1 1 91 PRO QD 4.500 . 4.500 4.481 4.194 4.579 0.079 15 0 "[ . 1 . 2]" 1
1493 1 38 LEU HG 1 100 ASP HB3 3.960 . 3.960 3.158 2.606 3.632 . 0 0 "[ . 1 . 2]" 1
1494 1 79 LEU MD2 1 83 GLN QG 4.110 . 4.110 4.269 4.241 4.293 0.183 14 0 "[ . 1 . 2]" 1
1495 1 79 LEU HB2 1 79 LEU MD2 3.050 . 3.050 2.261 2.246 2.272 . 0 0 "[ . 1 . 2]" 1
1496 1 61 LEU HB2 1 61 LEU MD1 2.730 . 2.730 2.216 2.204 2.225 . 0 0 "[ . 1 . 2]" 1
1497 1 38 LEU QD 1 61 LEU MD1 3.080 . 3.080 2.227 2.038 2.370 . 0 0 "[ . 1 . 2]" 1
1498 1 36 ILE MD 1 38 LEU HG 3.200 . 3.200 3.233 3.165 3.315 0.115 12 0 "[ . 1 . 2]" 1
1499 1 61 LEU MD1 1 62 LYS QG 5.710 . 5.710 4.883 4.173 5.571 . 0 0 "[ . 1 . 2]" 1
1500 1 40 VAL H 1 102 ILE MD 5.670 . 5.670 4.330 4.253 4.377 . 0 0 "[ . 1 . 2]" 1
1501 1 48 ILE MG 1 68 ARG H 4.780 . 4.780 4.247 4.124 4.368 . 0 0 "[ . 1 . 2]" 1
1502 1 48 ILE MG 1 50 PHE HE2 3.440 . 3.440 2.759 2.699 2.862 . 0 0 "[ . 1 . 2]" 1
1503 1 65 TYR HE1 1 76 LEU QD 3.420 . 3.420 2.245 2.086 2.401 . 0 0 "[ . 1 . 2]" 1
1504 1 76 LEU QD 1 108 GLN HE22 5.570 . 5.570 5.739 5.646 5.816 0.246 19 0 "[ . 1 . 2]" 1
1505 1 48 ILE MG 1 49 HIS HA 4.220 . 4.220 3.787 3.687 3.890 . 0 0 "[ . 1 . 2]" 1
1506 1 40 VAL HA 1 102 ILE MD 3.830 . 3.830 3.274 3.194 3.326 . 0 0 "[ . 1 . 2]" 1
1507 1 48 ILE HA 1 48 ILE MG 2.990 . 2.990 2.360 2.334 2.395 . 0 0 "[ . 1 . 2]" 1
1508 1 48 ILE MG 1 68 ARG QD 3.810 . 3.810 3.202 2.807 3.489 . 0 0 "[ . 1 . 2]" 1
1509 1 48 ILE MG 1 68 ARG QG 3.350 . 3.350 2.089 1.820 2.308 . 0 0 "[ . 1 . 2]" 1
1510 1 102 ILE HB 1 102 ILE MD 3.670 . 3.670 2.233 2.202 2.242 . 0 0 "[ . 1 . 2]" 1
1511 1 38 LEU HB3 1 102 ILE MD 3.420 . 3.420 2.138 2.038 2.238 . 0 0 "[ . 1 . 2]" 1
1512 1 79 LEU H 1 79 LEU MD1 3.510 . 3.510 1.918 1.891 1.974 . 0 0 "[ . 1 . 2]" 1
1513 1 52 VAL H 1 52 VAL MG2 3.320 . 3.320 2.385 2.331 2.463 . 0 0 "[ . 1 . 2]" 1
1514 1 80 PHE H 1 85 ILE MD 3.220 . 3.220 2.551 2.384 2.686 . 0 0 "[ . 1 . 2]" 1
1515 1 52 VAL MG2 1 53 LYS H 3.470 . 3.470 3.373 3.207 3.515 0.045 15 0 "[ . 1 . 2]" 1
1516 1 58 LEU QD 1 92 LYS H 4.690 . 4.690 4.516 4.363 4.598 . 0 0 "[ . 1 . 2]" 1
1517 1 79 LEU MD1 1 104 VAL H 4.060 . 4.060 4.065 3.991 4.135 0.075 17 0 "[ . 1 . 2]" 1
1518 1 58 LEU QD 1 62 LYS H 3.980 . 3.980 3.178 3.072 3.342 . 0 0 "[ . 1 . 2]" 1
1519 1 50 PHE QD 1 52 VAL MG2 3.410 . 3.410 3.271 3.152 3.419 0.009 1 0 "[ . 1 . 2]" 1
1520 1 43 GLN HE22 1 76 LEU QD 4.140 . 4.140 3.236 2.584 3.934 . 0 0 "[ . 1 . 2]" 1
1521 1 79 LEU HA 1 85 ILE MD 3.100 . 3.100 2.678 2.625 2.776 . 0 0 "[ . 1 . 2]" 1
1522 1 58 LEU QD 1 90 THR HA 3.430 . 3.430 2.547 2.170 2.790 . 0 0 "[ . 1 . 2]" 1
1523 1 76 LEU HA 1 76 LEU QD 3.450 . 3.450 3.360 3.338 3.382 . 0 0 "[ . 1 . 2]" 1
1524 1 52 VAL HA 1 52 VAL MG2 3.520 . 3.520 3.217 3.208 3.220 . 0 0 "[ . 1 . 2]" 1
1525 1 78 PHE HA 1 79 LEU MD1 3.740 . 3.740 3.346 3.282 3.395 . 0 0 "[ . 1 . 2]" 1
1526 1 76 LEU QD 1 77 ARG HA 3.500 . 3.500 3.587 3.451 3.672 0.172 6 0 "[ . 1 . 2]" 1
1527 1 84 ARG HA 1 85 ILE MD 3.630 . 3.630 3.645 3.591 3.683 0.053 16 0 "[ . 1 . 2]" 1
1528 1 58 LEU QD 1 91 PRO HA 3.550 . 3.550 2.658 2.508 2.816 . 0 0 "[ . 1 . 2]" 1
1529 1 58 LEU QD 1 91 PRO QD 3.540 . 3.540 2.108 1.955 2.200 . 0 0 "[ . 1 . 2]" 1
1530 1 42 GLY QA 1 76 LEU QD 3.930 . 3.930 3.835 3.512 4.005 0.075 1 0 "[ . 1 . 2]" 1
1531 1 80 PHE HB3 1 85 ILE MD 3.560 . 3.560 1.997 1.935 2.081 . 0 0 "[ . 1 . 2]" 1
1532 1 43 GLN QG 1 76 LEU QD 3.440 . 3.440 3.109 2.726 3.448 0.008 15 0 "[ . 1 . 2]" 1
1533 1 83 GLN QG 1 85 ILE MD 3.240 . 3.240 2.475 2.344 2.525 . 0 0 "[ . 1 . 2]" 1
1534 1 58 LEU QD 1 62 LYS QG 4.860 . 4.860 2.892 2.020 3.938 . 0 0 "[ . 1 . 2]" 1
1535 1 80 PHE QD 1 85 ILE MD 4.010 . 4.010 3.634 3.581 3.721 . 0 0 "[ . 1 . 2]" 1
1536 1 39 LYS HG3 1 40 VAL H 3.830 . 3.830 3.945 3.800 4.028 0.198 1 0 "[ . 1 . 2]" 1
1537 1 76 LEU HB3 1 77 ARG H 3.840 . 3.840 3.408 3.278 3.651 . 0 0 "[ . 1 . 2]" 1
1538 1 48 ILE H 1 48 ILE MD 4.050 . 4.050 3.396 3.271 3.549 . 0 0 "[ . 1 . 2]" 1
1539 1 48 ILE MD 1 49 HIS H 4.370 . 4.370 3.847 3.750 3.950 . 0 0 "[ . 1 . 2]" 1
1540 1 39 LYS HG3 1 49 HIS HE1 4.210 . 4.210 3.788 3.415 4.091 . 0 0 "[ . 1 . 2]" 1
1541 1 70 GLY H 1 71 VAL MG2 3.690 . 3.690 3.685 3.589 3.726 0.036 4 0 "[ . 1 . 2]" 1
1542 1 76 LEU HB3 1 106 GLN HE22 3.320 . 3.320 2.460 2.377 2.609 . 0 0 "[ . 1 . 2]" 1
1543 1 39 LYS HG3 1 49 HIS HA 4.150 . 4.150 4.122 3.825 4.242 0.092 7 0 "[ . 1 . 2]" 1
1544 1 71 VAL HA 1 71 VAL MG2 3.380 . 3.380 3.220 3.211 3.225 . 0 0 "[ . 1 . 2]" 1
1545 1 39 LYS HA 1 39 LYS HG3 3.550 . 3.550 3.468 3.334 3.537 . 0 0 "[ . 1 . 2]" 1
1546 1 76 LEU HB3 1 106 GLN HA 3.550 . 3.550 3.070 2.878 3.260 . 0 0 "[ . 1 . 2]" 1
1547 1 48 ILE HA 1 48 ILE MD 3.190 . 3.190 2.149 2.115 2.204 . 0 0 "[ . 1 . 2]" 1
1548 1 48 ILE MD 1 69 GLN HA 3.910 . 3.910 3.587 3.362 3.831 . 0 0 "[ . 1 . 2]" 1
1549 1 71 VAL MG2 1 75 SER HB2 3.730 . 3.730 3.488 3.245 3.750 0.020 6 0 "[ . 1 . 2]" 1
1550 1 48 ILE MD 1 65 TYR HA 3.860 . 3.860 3.854 3.641 3.914 0.054 11 0 "[ . 1 . 2]" 1
1551 1 71 VAL MG2 1 72 PRO QD 3.600 . 3.600 3.507 3.398 3.582 . 0 0 "[ . 1 . 2]" 1
1552 1 36 ILE H 1 36 ILE MG 3.180 . 3.180 2.664 2.497 2.792 . 0 0 "[ . 1 . 2]" 1
1553 1 38 LEU H 1 38 LEU QD 3.470 . 3.470 2.806 2.658 3.211 . 0 0 "[ . 1 . 2]" 1
1554 1 27 LEU MD2 1 28 GLY H 4.530 . 4.530 4.213 3.402 4.721 0.191 6 0 "[ . 1 . 2]" 1
1555 1 27 LEU H 1 27 LEU MD2 4.240 . 4.240 3.591 2.527 4.263 0.023 14 0 "[ . 1 . 2]" 1
1556 1 38 LEU QD 1 50 PHE QD 3.870 . 3.870 3.325 3.146 3.518 . 0 0 "[ . 1 . 2]" 1
1557 1 38 LEU QD 1 50 PHE HE1 3.990 . 3.990 2.967 2.914 3.023 . 0 0 "[ . 1 . 2]" 1
1558 1 37 LYS HA 1 38 LEU QD 3.600 . 3.600 3.138 2.983 3.544 . 0 0 "[ . 1 . 2]" 1
1559 1 35 TYR HA 1 36 ILE MG 3.830 . 3.830 3.305 3.107 3.425 . 0 0 "[ . 1 . 2]" 1
1560 1 41 ILE MD 1 47 GLU HA 3.960 . 3.960 2.788 2.344 2.962 . 0 0 "[ . 1 . 2]" 1
1561 1 41 ILE HA 1 41 ILE MD 3.180 . 3.180 2.072 2.002 2.147 . 0 0 "[ . 1 . 2]" 1
1562 1 36 ILE HA 1 36 ILE MG 3.000 . 3.000 2.423 2.399 2.438 . 0 0 "[ . 1 . 2]" 1
1563 1 36 ILE MG 1 98 GLU HA 3.420 . 3.420 3.351 3.107 3.481 0.061 1 0 "[ . 1 . 2]" 1
1564 1 36 ILE MG 1 54 MET HA 4.090 . 4.090 4.037 3.811 4.154 0.064 15 0 "[ . 1 . 2]" 1
1565 1 58 LEU HA 1 85 ILE MG 4.460 . 4.460 4.313 4.207 4.403 . 0 0 "[ . 1 . 2]" 1
1566 1 38 LEU QD 1 100 ASP HB2 3.260 . 3.260 3.275 3.128 3.325 0.065 11 0 "[ . 1 . 2]" 1
1567 1 39 LYS QE 1 41 ILE MD 3.220 . 3.220 2.358 1.983 3.282 0.062 12 0 "[ . 1 . 2]" 1
1568 1 36 ILE MG 1 54 MET QG 3.210 . 3.210 2.094 1.982 2.203 . 0 0 "[ . 1 . 2]" 1
1569 1 85 ILE QG 1 85 ILE MG 2.850 . 2.850 2.243 2.227 2.263 . 0 0 "[ . 1 . 2]" 1
1570 1 58 LEU HG 1 85 ILE MG 2.980 . 2.980 1.996 1.895 2.090 . 0 0 "[ . 1 . 2]" 1
1571 1 38 LEU HB2 1 38 LEU QD 2.740 . 2.740 2.079 2.070 2.090 . 0 0 "[ . 1 . 2]" 1
1572 1 38 LEU QD 1 52 VAL MG2 2.700 . 2.700 1.919 1.797 2.060 0.003 12 0 "[ . 1 . 2]" 1
1573 1 58 LEU QD 1 85 ILE MG 3.040 . 3.040 1.899 1.863 1.968 . 0 0 "[ . 1 . 2]" 1
1574 1 85 ILE MD 1 85 ILE MG 3.090 . 3.090 2.078 2.039 2.101 . 0 0 "[ . 1 . 2]" 1
1575 1 38 LEU QD 1 102 ILE MD 3.180 . 3.180 1.939 1.889 2.008 . 0 0 "[ . 1 . 2]" 1
1576 1 85 ILE MG 1 94 LEU MD1 2.690 . 2.690 2.387 2.253 2.467 . 0 0 "[ . 1 . 2]" 1
1577 1 36 ILE MD 1 36 ILE MG 2.770 . 2.770 1.881 1.859 1.903 . 0 0 "[ . 1 . 2]" 1
1578 1 36 ILE MD 1 38 LEU QD 2.970 . 2.970 1.947 1.894 1.998 . 0 0 "[ . 1 . 2]" 1
1579 1 85 ILE HA 1 85 ILE MG 3.020 . 3.020 2.280 2.253 2.300 . 0 0 "[ . 1 . 2]" 1
1580 1 84 ARG QD 1 86 ALA MB 4.780 . 4.780 3.883 2.808 4.801 0.021 18 0 "[ . 1 . 2]" 1
1581 1 71 VAL MG1 1 72 PRO QD 3.210 . 3.210 3.080 2.960 3.158 . 0 0 "[ . 1 . 2]" 1
1582 1 52 VAL HA 1 52 VAL MG1 2.970 . 2.970 2.402 2.365 2.438 . 0 0 "[ . 1 . 2]" 1
1583 1 71 VAL HA 1 71 VAL MG1 3.180 . 3.180 2.383 2.351 2.415 . 0 0 "[ . 1 . 2]" 1
1584 1 27 LEU H 1 27 LEU MD1 4.240 . 4.240 3.364 1.779 4.082 0.021 7 0 "[ . 1 . 2]" 1
1585 1 52 VAL MG1 1 61 LEU HA 3.330 . 3.330 3.104 2.832 3.334 0.004 3 0 "[ . 1 . 2]" 1
1586 1 36 ILE HG13 1 37 LYS H 3.260 . 3.260 3.111 3.056 3.197 . 0 0 "[ . 1 . 2]" 1
1587 1 36 ILE HG13 1 37 LYS HA 3.730 . 3.730 3.786 3.751 3.852 0.122 9 0 "[ . 1 . 2]" 1
1588 1 50 PHE HB2 1 52 VAL MG1 3.570 . 3.570 2.922 2.589 3.125 . 0 0 "[ . 1 . 2]" 1
1589 1 52 VAL MG1 1 60 LYS QE 3.800 . 3.800 2.636 1.917 3.947 0.147 18 0 "[ . 1 . 2]" 1
1590 1 52 VAL MG1 1 61 LEU HB2 3.030 . 3.030 2.271 2.085 2.567 . 0 0 "[ . 1 . 2]" 1
1591 1 40 VAL MG1 1 104 VAL HB 3.310 . 3.310 3.029 2.883 3.171 . 0 0 "[ . 1 . 2]" 1
1592 1 27 LEU MD1 1 28 GLY H 4.530 . 4.530 3.889 2.266 4.877 0.347 15 0 "[ . 1 . 2]" 1
1593 1 75 SER H 1 76 LEU HG 4.150 . 4.150 3.528 3.458 3.681 . 0 0 "[ . 1 . 2]" 1
1594 1 40 VAL MG1 1 50 PHE HE2 3.660 . 3.660 3.438 3.356 3.507 . 0 0 "[ . 1 . 2]" 1
1595 1 80 PHE HA 1 102 ILE MG 3.950 . 3.950 3.292 3.181 3.408 . 0 0 "[ . 1 . 2]" 1
1596 1 76 LEU HA 1 76 LEU HG 3.830 . 3.830 3.627 3.590 3.676 . 0 0 "[ . 1 . 2]" 1
1597 1 39 LYS HA 1 39 LYS HG2 3.490 . 3.490 2.414 2.388 2.460 . 0 0 "[ . 1 . 2]" 1
1598 1 80 PHE HB2 1 102 ILE MG 3.280 . 3.280 2.070 1.945 2.211 . 0 0 "[ . 1 . 2]" 1
1599 1 41 ILE MG 1 46 SER H 4.300 . 4.300 4.263 3.956 4.385 0.085 16 0 "[ . 1 . 2]" 1
1600 1 41 ILE HA 1 41 ILE MG 2.970 . 2.970 2.423 2.382 2.446 . 0 0 "[ . 1 . 2]" 1
1601 1 41 ILE MG 1 45 SER HA 3.160 . 3.160 2.558 2.010 2.827 . 0 0 "[ . 1 . 2]" 1
1602 1 41 ILE MG 1 42 GLY QA 3.950 . 3.950 3.738 3.641 3.852 . 0 0 "[ . 1 . 2]" 1
1603 1 90 THR MG 1 92 LYS H 4.460 . 4.460 4.411 4.320 4.458 . 0 0 "[ . 1 . 2]" 1
1604 1 88 ASN H 1 90 THR MG 6.000 . 6.000 6.042 5.984 6.092 0.092 17 0 "[ . 1 . 2]" 1
1605 1 90 THR MG 1 94 LEU H 5.290 . 5.290 5.408 5.380 5.460 0.170 17 0 "[ . 1 . 2]" 1
1606 1 89 HIS H 1 90 THR MG 5.070 . 5.070 4.604 4.551 4.653 . 0 0 "[ . 1 . 2]" 1
1607 1 89 HIS HD2 1 90 THR MG 5.380 . 5.380 5.034 4.948 5.127 . 0 0 "[ . 1 . 2]" 1
1608 1 89 HIS HB2 1 90 THR MG 5.320 . 5.320 5.302 5.235 5.335 0.015 18 0 "[ . 1 . 2]" 1
1609 1 58 LEU QD 1 90 THR MG 4.190 . 4.190 4.149 3.846 4.297 0.107 17 0 "[ . 1 . 2]" 1
1610 1 101 VAL QG 1 102 ILE H 3.490 . 3.490 2.254 2.197 2.299 . 0 0 "[ . 1 . 2]" 1
1611 1 101 VAL QG 1 103 GLU H 4.620 . 4.620 4.329 4.252 4.429 . 0 0 "[ . 1 . 2]" 1
1612 1 39 LYS H 1 101 VAL QG 3.740 . 3.740 3.731 3.631 3.776 0.036 11 0 "[ . 1 . 2]" 1
1613 1 80 PHE QD 1 101 VAL QG 4.140 . 4.140 4.047 3.934 4.148 0.008 15 0 "[ . 1 . 2]" 1
1614 1 41 ILE QG 1 47 GLU HA 4.600 . 4.600 4.550 4.160 4.689 0.089 10 0 "[ . 1 . 2]" 1
1615 1 41 ILE HA 1 41 ILE QG 3.750 . 3.750 2.919 2.846 2.958 . 0 0 "[ . 1 . 2]" 1
1616 1 40 VAL HA 1 101 VAL QG 4.140 . 4.140 2.997 2.930 3.098 . 0 0 "[ . 1 . 2]" 1
1617 1 101 VAL HA 1 101 VAL QG 2.970 . 2.970 2.318 2.288 2.350 . 0 0 "[ . 1 . 2]" 1
1618 1 39 LYS QE 1 41 ILE QG 3.830 . 3.830 3.085 2.577 3.918 0.088 12 0 "[ . 1 . 2]" 1
1619 1 39 LYS QD 1 41 ILE QG 3.120 . 3.120 2.768 2.368 2.994 . 0 0 "[ . 1 . 2]" 1
1620 1 101 VAL QG 1 102 ILE MD 3.980 . 3.980 3.653 3.595 4.059 0.079 18 0 "[ . 1 . 2]" 1
1621 1 54 MET H 1 55 THR MG 4.040 . 4.040 3.734 3.372 4.057 0.017 14 0 "[ . 1 . 2]" 1
1622 1 55 THR MG 1 56 THR H 3.770 . 3.770 3.392 3.169 3.601 . 0 0 "[ . 1 . 2]" 1
1623 1 37 LYS HA 1 37 LYS QG 3.910 . 3.910 2.576 2.483 2.695 . 0 0 "[ . 1 . 2]" 1
1624 1 55 THR HA 1 55 THR MG 3.230 . 3.230 3.212 3.201 3.224 . 0 0 "[ . 1 . 2]" 1
1625 1 55 THR MG 1 56 THR HB 3.990 . 3.990 3.792 3.411 3.953 . 0 0 "[ . 1 . 2]" 1
1626 1 58 LEU H 1 59 LYS HG2 4.850 . 4.850 4.981 4.314 5.068 0.218 9 0 "[ . 1 . 2]" 1
1627 1 80 PHE H 1 81 GLU HG2 5.100 . 5.100 4.655 4.536 4.724 . 0 0 "[ . 1 . 2]" 1
1628 1 48 ILE H 1 48 ILE QG 3.840 . 3.840 2.348 2.233 2.461 . 0 0 "[ . 1 . 2]" 1
1629 1 59 LYS H 1 59 LYS HG2 4.180 . 4.180 3.109 2.407 3.231 . 0 0 "[ . 1 . 2]" 1
1630 1 109 THR MG 1 110 GLY H 4.520 . 4.520 3.392 2.247 4.215 . 0 0 "[ . 1 . 2]" 1
1631 1 109 THR H 1 109 THR MG 3.420 . 3.420 2.418 1.787 2.786 0.013 20 0 "[ . 1 . 2]" 1
1632 1 38 LEU HB3 1 100 ASP H 5.480 . 5.480 5.035 4.940 5.253 . 0 0 "[ . 1 . 2]" 1
1633 1 48 ILE QG 1 68 ARG H 6.000 . 6.000 5.036 4.835 5.277 . 0 0 "[ . 1 . 2]" 1
1634 1 109 THR MG 1 111 GLY H 6.000 . 6.000 4.009 2.399 6.094 0.094 14 0 "[ . 1 . 2]" 1
1635 1 48 ILE QG 1 69 GLN H 5.150 . 5.150 4.245 4.033 4.634 . 0 0 "[ . 1 . 2]" 1
1636 1 81 GLU HG2 1 83 GLN HE21 4.330 . 4.330 1.806 1.763 1.861 0.037 11 0 "[ . 1 . 2]" 1
1637 1 108 GLN HA 1 109 THR MG 3.920 . 3.920 3.666 3.213 4.093 0.173 20 0 "[ . 1 . 2]" 1
1638 1 48 ILE QG 1 65 TYR HA 3.940 . 3.940 3.316 3.095 3.555 . 0 0 "[ . 1 . 2]" 1
1639 1 59 LYS HG2 1 87 ASP HA 4.350 . 4.350 4.172 3.634 4.307 . 0 0 "[ . 1 . 2]" 1
1640 1 48 ILE QG 1 65 TYR HB3 4.370 . 4.370 4.017 3.842 4.204 . 0 0 "[ . 1 . 2]" 1
1641 1 59 LYS QE 1 59 LYS HG2 3.240 . 3.240 2.427 2.318 2.474 . 0 0 "[ . 1 . 2]" 1
1642 1 80 PHE HB3 1 81 GLU HG2 4.410 . 4.410 3.574 3.516 3.649 . 0 0 "[ . 1 . 2]" 1
1643 1 81 GLU HG2 1 83 GLN QG 3.750 . 3.750 3.398 3.198 3.523 . 0 0 "[ . 1 . 2]" 1
1644 1 108 GLN HB3 1 109 THR MG 4.040 . 4.040 3.629 2.754 4.080 0.040 4 0 "[ . 1 . 2]" 1
1645 1 48 ILE QG 1 68 ARG QB 3.780 . 3.780 2.989 2.771 3.224 . 0 0 "[ . 1 . 2]" 1
1646 1 40 VAL MG1 1 48 ILE QG 3.450 . 3.450 2.625 2.511 2.844 . 0 0 "[ . 1 . 2]" 1
1647 1 48 ILE QG 1 48 ILE MG 3.050 . 3.050 2.338 2.313 2.358 . 0 0 "[ . 1 . 2]" 1
1648 1 38 LEU HB3 1 40 VAL MG2 4.440 . 4.440 4.445 4.297 4.507 0.067 19 0 "[ . 1 . 2]" 1
1649 1 79 LEU HB3 1 80 PHE H 3.990 . 3.990 3.857 3.786 3.894 . 0 0 "[ . 1 . 2]" 1
1650 1 41 ILE HA 1 104 VAL HB 5.280 . 5.280 5.095 4.995 5.217 . 0 0 "[ . 1 . 2]" 1
1651 1 42 GLY QA 1 104 VAL HB 4.010 . 4.010 1.881 1.752 2.039 0.048 15 0 "[ . 1 . 2]" 1
1652 1 79 LEU HB3 1 84 ARG HA 4.500 . 4.500 2.613 2.471 2.787 . 0 0 "[ . 1 . 2]" 1
1653 1 81 GLU HG3 1 82 GLY H 3.870 . 3.870 3.988 3.946 4.063 0.193 9 0 "[ . 1 . 2]" 1
1654 1 36 ILE HG12 1 37 LYS H 4.120 . 4.120 4.277 4.234 4.321 0.201 16 0 "[ . 1 . 2]" 1
1655 1 20 ALA MB 1 21 LYS H 2.950 . 2.950 2.755 2.034 3.151 0.201 16 0 "[ . 1 . 2]" 1
1656 1 61 LEU HB3 1 62 LYS H 4.080 . 4.080 2.352 2.299 2.395 . 0 0 "[ . 1 . 2]" 1
1657 1 90 THR HB 1 92 LYS QG 4.030 . 4.030 2.513 2.276 2.890 . 0 0 "[ . 1 . 2]" 1
1658 1 61 LEU HB3 1 64 SER QB 5.050 . 5.050 4.999 4.924 5.044 . 0 0 "[ . 1 . 2]" 1
1659 1 81 GLU HG3 1 82 GLY HA3 4.460 . 4.460 4.383 4.323 4.456 . 0 0 "[ . 1 . 2]" 1
1660 1 81 GLU HG3 1 83 GLN QG 3.610 . 3.610 3.583 3.464 3.645 0.035 5 0 "[ . 1 . 2]" 1
1661 1 92 LYS QG 1 93 GLU QG 3.660 . 3.660 2.351 2.214 2.494 . 0 0 "[ . 1 . 2]" 1
1662 1 92 LYS QG 1 93 GLU HB2 3.660 . 3.660 3.405 3.302 3.604 . 0 0 "[ . 1 . 2]" 1
1663 1 36 ILE HG12 1 36 ILE MG 3.250 . 3.250 2.406 2.386 2.422 . 0 0 "[ . 1 . 2]" 1
1664 1 36 ILE HG12 1 38 LEU QD 3.650 . 3.650 3.018 2.920 3.227 . 0 0 "[ . 1 . 2]" 1
1665 1 92 LYS QG 1 94 LEU H 4.570 . 4.570 4.219 4.136 4.337 . 0 0 "[ . 1 . 2]" 1
1666 1 55 THR HA 1 92 LYS QG 4.050 . 4.050 2.865 2.449 3.337 . 0 0 "[ . 1 . 2]" 1
1667 1 36 ILE HG12 1 53 LYS HA 4.600 . 4.600 3.459 3.154 3.936 . 0 0 "[ . 1 . 2]" 1
1668 1 91 PRO QD 1 92 LYS QG 4.760 . 4.760 3.312 3.016 3.583 . 0 0 "[ . 1 . 2]" 1
1669 1 56 THR MG 1 58 LEU H 4.810 . 4.810 4.455 4.289 4.601 . 0 0 "[ . 1 . 2]" 1
1670 1 56 THR MG 1 57 HIS H 3.470 . 3.470 2.891 2.703 3.152 . 0 0 "[ . 1 . 2]" 1
1671 1 53 LYS H 1 56 THR MG 3.790 . 3.790 2.242 1.990 2.513 . 0 0 "[ . 1 . 2]" 1
1672 1 31 LYS QG 1 32 GLU H 3.770 . 3.770 3.218 1.836 4.162 0.392 12 0 "[ . 1 . 2]" 1
1673 1 52 VAL HA 1 56 THR MG 3.880 . 3.880 3.474 3.208 3.766 . 0 0 "[ . 1 . 2]" 1
1674 1 31 LYS HA 1 31 LYS QG 3.340 . 3.340 2.835 2.153 3.400 0.060 4 0 "[ . 1 . 2]" 1
1675 1 56 THR HA 1 56 THR MG 3.290 . 3.290 3.195 3.170 3.212 . 0 0 "[ . 1 . 2]" 1
1676 1 56 THR MG 1 91 PRO QD 4.090 . 4.090 3.084 2.857 3.267 . 0 0 "[ . 1 . 2]" 1
1677 1 31 LYS QE 1 31 LYS QG 3.090 . 3.090 2.421 2.085 2.824 . 0 0 "[ . 1 . 2]" 1
1678 1 52 VAL MG2 1 56 THR MG 3.280 . 3.280 2.935 2.505 3.139 . 0 0 "[ . 1 . 2]" 1
1679 1 62 LYS QD 1 88 ASN H 5.930 . 5.930 5.180 4.946 5.517 . 0 0 "[ . 1 . 2]" 1
1680 1 59 LYS HA 1 62 LYS QD 4.050 . 4.050 1.859 1.759 2.037 0.041 9 0 "[ . 1 . 2]" 1
1681 1 60 LYS H 1 60 LYS QG 3.960 . 3.960 2.051 1.845 2.275 . 0 0 "[ . 1 . 2]" 1
1682 1 90 THR H 1 94 LEU HG 3.970 . 3.970 3.324 3.188 3.429 . 0 0 "[ . 1 . 2]" 1
1683 1 21 LYS HA 1 21 LYS QG 3.410 . 3.410 3.279 2.422 3.491 0.081 10 0 "[ . 1 . 2]" 1
1684 1 62 LYS QD 1 87 ASP HA 4.200 . 4.200 2.467 2.137 2.978 . 0 0 "[ . 1 . 2]" 1
1685 1 62 LYS QD 1 89 HIS HB2 4.980 . 4.980 4.568 4.274 4.775 . 0 0 "[ . 1 . 2]" 1
1686 1 84 ARG QG 1 86 ALA H 5.340 . 5.340 4.423 3.803 5.289 . 0 0 "[ . 1 . 2]" 1
1687 1 39 LYS HB3 1 40 VAL H 3.970 . 3.970 3.916 3.879 3.949 . 0 0 "[ . 1 . 2]" 1
1688 1 84 ARG QG 1 85 ILE HA 4.700 . 4.700 4.254 3.836 4.816 0.116 1 0 "[ . 1 . 2]" 1
1689 1 79 LEU HB3 1 79 LEU HG 3.010 . 3.010 2.335 2.323 2.347 . 0 0 "[ . 1 . 2]" 1
1690 1 84 ARG H 1 84 ARG QG 3.560 . 3.560 2.887 2.056 3.428 . 0 0 "[ . 1 . 2]" 1
1691 1 84 ARG HA 1 84 ARG QG 3.470 . 3.470 3.453 3.330 3.530 0.060 3 0 "[ . 1 . 2]" 1
1692 1 79 LEU HG 1 82 GLY HA2 4.160 . 4.160 3.997 3.789 4.140 . 0 0 "[ . 1 . 2]" 1
1693 1 79 LEU H 1 79 LEU HG 4.170 . 4.170 4.222 4.203 4.252 0.082 12 0 "[ . 1 . 2]" 1
1694 1 76 LEU H 1 76 LEU HB2 3.730 . 3.730 3.753 3.714 3.813 0.083 8 0 "[ . 1 . 2]" 1
1695 1 39 LYS QD 1 40 VAL H 3.620 . 3.620 2.958 2.690 3.309 . 0 0 "[ . 1 . 2]" 1
1696 1 39 LYS QD 1 49 HIS HD2 3.820 . 3.820 3.888 3.847 3.948 0.128 3 0 "[ . 1 . 2]" 1
1697 1 39 LYS QD 1 47 GLU HA 3.900 . 3.900 2.862 2.689 3.044 . 0 0 "[ . 1 . 2]" 1
1698 1 39 LYS QD 1 40 VAL HA 3.700 . 3.700 3.374 3.209 3.644 . 0 0 "[ . 1 . 2]" 1
1699 1 39 LYS QD 1 41 ILE HA 4.070 . 4.070 3.579 3.516 3.680 . 0 0 "[ . 1 . 2]" 1
1700 1 39 LYS QD 1 101 VAL HA 4.210 . 4.210 4.127 4.021 4.213 0.003 16 0 "[ . 1 . 2]" 1
1701 1 55 THR HA 1 92 LYS QD 3.350 . 3.350 2.623 2.001 3.147 . 0 0 "[ . 1 . 2]" 1
1702 1 39 LYS QD 1 39 LYS HG2 2.770 . 2.770 2.163 2.160 2.173 . 0 0 "[ . 1 . 2]" 1
1703 1 79 LEU H 1 85 ILE HB 5.670 . 5.670 5.307 5.100 5.474 . 0 0 "[ . 1 . 2]" 1
1704 1 92 LYS H 1 92 LYS QD 4.150 . 4.150 3.985 3.862 4.158 0.008 19 0 "[ . 1 . 2]" 1
1705 1 55 THR HB 1 92 LYS QD 3.680 . 3.680 3.377 2.552 3.747 0.067 10 0 "[ . 1 . 2]" 1
1706 1 85 ILE HB 1 89 HIS HB2 5.400 . 5.400 5.167 4.933 5.296 . 0 0 "[ . 1 . 2]" 1
1707 1 35 TYR HB3 1 53 LYS QG 3.460 . 3.460 2.913 1.876 3.583 0.123 7 0 "[ . 1 . 2]" 1
1708 1 77 ARG QB 1 78 PHE HA 4.370 . 4.370 4.260 4.153 4.362 . 0 0 "[ . 1 . 2]" 1
1709 1 77 ARG QB 1 79 LEU H 5.190 . 5.190 4.708 4.525 4.891 . 0 0 "[ . 1 . 2]" 1
1710 1 36 ILE HB 1 99 GLU H 3.940 . 3.940 3.625 3.436 3.780 . 0 0 "[ . 1 . 2]" 1
1711 1 36 ILE HB 1 100 ASP H 5.140 . 5.140 5.032 4.871 5.163 0.023 8 0 "[ . 1 . 2]" 1
1712 1 65 TYR QD 1 69 GLN QB 4.770 . 4.770 4.397 4.300 4.534 . 0 0 "[ . 1 . 2]" 1
1713 1 76 LEU HA 1 107 GLU HB3 4.290 . 4.290 4.188 4.055 4.305 0.015 15 0 "[ . 1 . 2]" 1
1714 1 58 LEU HG 1 89 HIS HB2 4.410 . 4.410 4.047 3.799 4.204 . 0 0 "[ . 1 . 2]" 1
1715 1 77 ARG QB 1 105 TYR HB2 3.670 . 3.670 2.326 1.764 3.767 0.097 8 0 "[ . 1 . 2]" 1
1716 1 30 LYS QB 1 30 LYS QD 2.780 . 2.780 2.369 2.101 2.795 0.015 14 0 "[ . 1 . 2]" 1
1717 1 21 LYS QD 1 21 LYS QG 2.470 . 2.470 2.033 1.991 2.095 . 0 0 "[ . 1 . 2]" 1
1718 1 69 GLN QB 1 71 VAL MG2 2.920 . 2.920 2.068 1.989 2.142 . 0 0 "[ . 1 . 2]" 1
1719 1 58 LEU HG 1 86 ALA H 5.160 . 5.160 5.134 4.859 5.252 0.092 1 0 "[ . 1 . 2]" 1
1720 1 27 LEU H 1 27 LEU HB3 3.640 . 3.640 3.524 2.738 3.700 0.060 8 0 "[ . 1 . 2]" 1
1721 1 58 LEU QB 1 90 THR HA 4.100 . 4.100 3.162 2.839 3.673 . 0 0 "[ . 1 . 2]" 1
1722 1 62 LYS QB 1 78 PHE HB3 4.050 . 4.050 3.960 3.648 4.186 0.136 8 0 "[ . 1 . 2]" 1
1723 1 58 LEU QB 1 90 THR H 5.140 . 5.140 4.326 4.141 4.632 . 0 0 "[ . 1 . 2]" 1
1724 1 80 PHE QE 1 96 MET QB 5.480 . 5.480 4.697 4.524 4.950 . 0 0 "[ . 1 . 2]" 1
1725 1 79 LEU H 1 102 ILE HB 5.470 . 5.470 5.513 5.474 5.560 0.090 2 0 "[ . 1 . 2]" 1
1726 1 40 VAL HA 1 102 ILE HB 3.890 . 3.890 3.019 2.855 3.088 . 0 0 "[ . 1 . 2]" 1
1727 1 41 ILE HB 1 103 GLU HA 3.850 . 3.850 2.798 2.528 3.118 . 0 0 "[ . 1 . 2]" 1
1728 1 92 LYS HB2 1 92 LYS QE 3.750 . 3.750 3.527 2.019 3.759 0.009 19 0 "[ . 1 . 2]" 1
1729 1 58 LEU QB 1 85 ILE MG 2.790 . 2.790 2.193 2.079 2.293 . 0 0 "[ . 1 . 2]" 1
1730 1 36 ILE MD 1 96 MET QB 3.850 . 3.850 3.301 2.956 3.450 . 0 0 "[ . 1 . 2]" 1
1731 1 40 VAL MG2 1 102 ILE HB 3.480 . 3.480 1.928 1.832 1.994 . 0 0 "[ . 1 . 2]" 1
1732 1 58 LEU QB 1 61 LEU MD2 4.610 . 4.610 4.395 4.127 4.561 . 0 0 "[ . 1 . 2]" 1
1733 1 61 LEU MD2 1 102 ILE HB 4.960 . 4.960 3.902 3.784 4.072 . 0 0 "[ . 1 . 2]" 1
1734 1 51 LYS QB 1 51 LYS QE 3.530 . 3.530 2.857 1.888 3.664 0.134 6 0 "[ . 1 . 2]" 1
1735 1 81 GLU H 1 81 GLU HB2 3.980 . 3.980 3.966 3.936 3.997 0.017 12 0 "[ . 1 . 2]" 1
1736 1 84 ARG QB 1 85 ILE H 3.930 . 3.930 2.792 2.673 2.914 . 0 0 "[ . 1 . 2]" 1
1737 1 84 ARG QB 1 84 ARG QD 3.320 . 3.320 2.497 2.043 2.864 . 0 0 "[ . 1 . 2]" 1
1738 1 37 LYS QG 1 51 LYS QB 3.610 . 3.610 3.299 2.605 3.700 0.090 12 0 "[ . 1 . 2]" 1
1739 1 84 ARG QB 1 86 ALA H 5.710 . 5.710 5.391 5.086 5.618 . 0 0 "[ . 1 . 2]" 1
1740 1 53 LYS QB 1 56 THR MG 3.190 . 3.190 2.844 2.393 3.160 . 0 0 "[ . 1 . 2]" 1
1741 1 30 LYS H 1 30 LYS QB 3.380 . 3.380 2.701 2.353 3.314 . 0 0 "[ . 1 . 2]" 1
1742 1 59 LYS QD 1 60 LYS QB 3.530 . 3.530 2.681 2.422 3.736 0.206 7 0 "[ . 1 . 2]" 1
1743 1 40 VAL H 1 48 ILE HB 4.200 . 4.200 3.174 3.092 3.317 . 0 0 "[ . 1 . 2]" 1
1744 1 79 LEU HB2 1 84 ARG H 4.100 . 4.100 3.874 3.783 4.019 . 0 0 "[ . 1 . 2]" 1
1745 1 48 ILE HB 1 49 HIS HA 4.840 . 4.840 4.674 4.608 4.747 . 0 0 "[ . 1 . 2]" 1
1746 1 79 LEU HA 1 85 ILE QG 4.660 . 4.660 1.951 1.841 2.061 . 0 0 "[ . 1 . 2]" 1
1747 1 40 VAL HA 1 48 ILE HB 5.310 . 5.310 5.038 4.959 5.203 . 0 0 "[ . 1 . 2]" 1
1748 1 78 PHE HA 1 85 ILE QG 4.210 . 4.210 4.064 3.988 4.140 . 0 0 "[ . 1 . 2]" 1
1749 1 34 GLU QB 1 53 LYS QE 3.740 . 3.740 2.772 1.902 3.807 0.067 3 0 "[ . 1 . 2]" 1
1750 1 96 MET QG 1 97 GLU H 4.010 . 4.010 3.897 3.837 3.977 . 0 0 "[ . 1 . 2]" 1
1751 1 25 GLU QB 1 26 ASP H 4.040 . 4.040 3.498 2.197 3.975 . 0 0 "[ . 1 . 2]" 1
1752 1 54 MET ME 1 93 GLU H 4.420 . 4.420 4.491 4.459 4.530 0.110 7 0 "[ . 1 . 2]" 1
1753 1 96 MET H 1 96 MET QG 3.500 . 3.500 2.585 2.525 2.662 . 0 0 "[ . 1 . 2]" 1
1754 1 94 LEU H 1 96 MET QG 4.780 . 4.780 4.224 4.115 4.342 . 0 0 "[ . 1 . 2]" 1
1755 1 80 PHE QD 1 96 MET ME 4.240 . 4.240 2.776 2.687 2.835 . 0 0 "[ . 1 . 2]" 1
1756 1 80 PHE HA 1 85 ILE QG 5.590 . 5.590 4.817 4.710 4.914 . 0 0 "[ . 1 . 2]" 1
1757 1 80 PHE HA 1 96 MET ME 5.940 . 5.940 4.480 4.397 4.586 . 0 0 "[ . 1 . 2]" 1
1758 1 34 GLU QB 1 35 TYR HA 4.450 . 4.450 4.248 3.921 4.456 0.006 10 0 "[ . 1 . 2]" 1
1759 1 36 ILE HA 1 98 GLU HB3 4.150 . 4.150 3.269 2.826 3.915 . 0 0 "[ . 1 . 2]" 1
1760 1 107 GLU HA 1 107 GLU HB2 2.900 . 2.900 2.455 2.422 2.479 . 0 0 "[ . 1 . 2]" 1
1761 1 54 MET HA 1 54 MET ME 3.100 . 3.100 2.276 2.061 2.477 . 0 0 "[ . 1 . 2]" 1
1762 1 77 ARG QD 1 107 GLU HB2 3.880 . 3.880 3.447 3.141 3.906 0.026 10 0 "[ . 1 . 2]" 1
1763 1 78 PHE HB2 1 85 ILE QG 3.360 . 3.360 2.722 2.612 2.830 . 0 0 "[ . 1 . 2]" 1
1764 1 54 MET ME 1 92 LYS HB2 3.350 . 3.350 3.401 3.370 3.454 0.104 9 0 "[ . 1 . 2]" 1
1765 1 54 MET ME 1 92 LYS HB3 2.970 . 2.970 2.163 2.059 2.253 . 0 0 "[ . 1 . 2]" 1
1766 1 36 ILE MD 1 54 MET ME 2.990 . 2.990 2.045 1.909 2.336 . 0 0 "[ . 1 . 2]" 1
1767 1 96 MET HA 1 96 MET QG 3.110 . 3.110 2.497 2.462 2.529 . 0 0 "[ . 1 . 2]" 1
1768 1 63 GLU QB 1 73 MET ME 2.680 . 2.680 2.632 2.048 2.747 0.067 14 0 "[ . 1 . 2]" 1
1769 1 68 ARG H 1 68 ARG QB 3.610 . 3.610 2.360 2.279 2.492 . 0 0 "[ . 1 . 2]" 1
1770 1 68 ARG QB 1 69 GLN H 3.910 . 3.910 2.606 2.417 2.844 . 0 0 "[ . 1 . 2]" 1
1771 1 65 TYR QD 1 68 ARG QB 4.390 . 4.390 4.372 4.255 4.429 0.039 4 0 "[ . 1 . 2]" 1
1772 1 65 TYR HA 1 68 ARG QB 3.230 . 3.230 2.485 2.369 2.631 . 0 0 "[ . 1 . 2]" 1
1773 1 48 ILE MD 1 68 ARG QB 3.420 . 3.420 2.034 1.882 2.171 . 0 0 "[ . 1 . 2]" 1
1774 1 54 MET HB2 1 55 THR H 4.510 . 4.510 2.881 2.750 3.935 . 0 0 "[ . 1 . 2]" 1
1775 1 79 LEU H 1 103 GLU QB 4.810 . 4.810 3.754 3.581 3.873 . 0 0 "[ . 1 . 2]" 1
1776 1 103 GLU H 1 103 GLU QB 3.880 . 3.880 2.383 2.274 2.429 . 0 0 "[ . 1 . 2]" 1
1777 1 18 GLN HB3 1 18 GLN HE21 4.070 . 4.070 3.061 1.754 3.968 0.046 3 0 "[ . 1 . 2]" 1
1778 1 59 LYS HB2 1 59 LYS QE 3.790 . 3.790 1.882 1.785 2.472 0.015 18 0 "[ . 1 . 2]" 1
1779 1 79 LEU MD1 1 103 GLU QB 3.310 . 3.310 2.137 2.002 2.438 . 0 0 "[ . 1 . 2]" 1
1780 1 32 GLU QB 1 35 TYR QD 4.200 . 4.200 3.143 2.185 4.323 0.123 1 0 "[ . 1 . 2]" 1
1781 1 32 GLU QB 1 33 GLY QA 3.860 . 3.860 3.707 3.403 4.014 0.154 3 0 "[ . 1 . 2]" 1
1782 1 31 LYS QE 1 32 GLU QB 5.460 . 5.460 5.170 3.539 5.887 0.427 6 0 "[ . 1 . 2]" 1
1783 1 63 GLU QB 1 73 MET QG 3.980 . 3.980 3.848 3.647 4.169 0.189 3 0 "[ . 1 . 2]" 1
1784 1 101 VAL HB 1 102 ILE H 4.020 . 4.020 4.008 3.969 4.033 0.013 18 0 "[ . 1 . 2]" 1
1785 1 79 LEU HA 1 103 GLU QB 5.720 . 5.720 5.316 5.094 5.507 . 0 0 "[ . 1 . 2]" 1
1786 1 54 MET HB2 1 55 THR MG 4.310 . 4.310 4.045 3.741 4.365 0.055 10 0 "[ . 1 . 2]" 1
1787 1 80 PHE QD 1 103 GLU QB 4.610 . 4.610 4.484 3.964 4.663 0.053 11 0 "[ . 1 . 2]" 1
1788 1 15 MET QB 1 16 SER H 3.850 . 3.850 3.525 1.831 3.992 0.142 5 0 "[ . 1 . 2]" 1
1789 1 104 VAL MG1 1 107 GLU QG 5.500 . 5.500 5.538 5.456 5.595 0.095 2 0 "[ . 1 . 2]" 1
1790 1 97 GLU H 1 97 GLU HB2 4.120 . 4.120 3.869 3.801 3.962 . 0 0 "[ . 1 . 2]" 1
1791 1 43 GLN HB2 1 106 GLN H 4.230 . 4.230 4.132 3.842 4.379 0.149 14 0 "[ . 1 . 2]" 1
1792 1 93 GLU HB3 1 95 GLY H 4.820 . 4.820 4.941 4.904 4.984 0.164 19 0 "[ . 1 . 2]" 1
1793 1 43 GLN HB2 1 43 GLN HE22 4.860 . 4.860 4.635 4.450 4.720 . 0 0 "[ . 1 . 2]" 1
1794 1 74 ASN HA 1 107 GLU QG 4.580 . 4.580 4.292 4.097 4.484 . 0 0 "[ . 1 . 2]" 1
1795 1 77 ARG HA 1 107 GLU QG 4.910 . 4.910 3.976 3.812 4.225 . 0 0 "[ . 1 . 2]" 1
1796 1 77 ARG QD 1 107 GLU QG 4.020 . 4.020 3.906 3.695 4.063 0.043 15 0 "[ . 1 . 2]" 1
1797 1 93 GLU HB3 1 94 LEU MD2 3.690 . 3.690 2.775 2.606 2.890 . 0 0 "[ . 1 . 2]" 1
1798 1 76 LEU HA 1 107 GLU QG 3.880 . 3.880 2.568 2.398 2.705 . 0 0 "[ . 1 . 2]" 1
1799 1 43 GLN HB2 1 104 VAL MG1 5.050 . 5.050 4.865 4.635 5.119 0.069 15 0 "[ . 1 . 2]" 1
1800 1 79 LEU H 1 103 GLU HG3 4.960 . 4.960 4.873 4.702 5.067 0.107 3 0 "[ . 1 . 2]" 1
1801 1 73 MET H 1 73 MET QB 3.170 . 3.170 2.504 2.386 2.548 . 0 0 "[ . 1 . 2]" 1
1802 1 63 GLU H 1 73 MET ME 2.960 . 2.960 2.957 2.876 2.998 0.038 13 0 "[ . 1 . 2]" 1
1803 1 103 GLU HG3 1 104 VAL H 4.250 . 4.250 2.681 2.566 2.775 . 0 0 "[ . 1 . 2]" 1
1804 1 73 MET QB 1 78 PHE QE 3.770 . 3.770 2.121 1.931 2.456 . 0 0 "[ . 1 . 2]" 1
1805 1 72 PRO QG 1 74 ASN HD22 4.080 . 4.080 3.125 2.089 3.765 . 0 0 "[ . 1 . 2]" 1
1806 1 108 GLN HB2 1 108 GLN HE22 4.590 . 4.590 4.631 4.453 4.660 0.070 17 0 "[ . 1 . 2]" 1
1807 1 90 THR HA 1 91 PRO QB 4.660 . 4.660 4.757 4.653 4.796 0.136 20 0 "[ . 1 . 2]" 1
1808 1 71 VAL HA 1 72 PRO QG 3.990 . 3.990 3.984 3.938 4.031 0.041 1 0 "[ . 1 . 2]" 1
1809 1 103 GLU HA 1 103 GLU HG3 3.400 . 3.400 2.920 2.616 3.065 . 0 0 "[ . 1 . 2]" 1
1810 1 63 GLU HA 1 73 MET ME 2.850 . 2.850 2.429 2.087 2.571 . 0 0 "[ . 1 . 2]" 1
1811 1 66 CYS HB2 1 73 MET ME 3.580 . 3.580 3.616 3.331 3.724 0.144 4 0 "[ . 1 . 2]" 1
1812 1 37 LYS QE 1 98 GLU HB2 3.590 . 3.590 2.767 2.058 3.657 0.067 19 0 "[ . 1 . 2]" 1
1813 1 62 LYS QB 1 73 MET ME 2.880 . 2.880 2.219 1.998 2.532 . 0 0 "[ . 1 . 2]" 1
1814 1 48 ILE QG 1 69 GLN QG 3.110 . 3.110 2.725 2.566 3.000 . 0 0 "[ . 1 . 2]" 1
1815 1 48 ILE MD 1 69 GLN QG 3.040 . 3.040 2.181 2.010 2.324 . 0 0 "[ . 1 . 2]" 1
1816 1 58 LEU QD 1 91 PRO QB 3.250 . 3.250 3.076 2.371 3.234 . 0 0 "[ . 1 . 2]" 1
1817 1 79 LEU MD1 1 103 GLU HG3 3.500 . 3.500 2.719 2.542 3.058 . 0 0 "[ . 1 . 2]" 1
1818 1 61 LEU MD1 1 91 PRO QB 4.360 . 4.360 4.270 3.769 4.417 0.057 4 0 "[ . 1 . 2]" 1
1819 1 79 LEU MD2 1 103 GLU HG3 4.870 . 4.870 4.181 3.957 4.389 . 0 0 "[ . 1 . 2]" 1
1820 1 62 LYS QG 1 73 MET ME 4.020 . 4.020 3.011 1.936 3.926 . 0 0 "[ . 1 . 2]" 1
1821 1 52 VAL H 1 52 VAL HB 4.190 . 4.190 3.917 3.881 3.961 . 0 0 "[ . 1 . 2]" 1
1822 1 43 GLN H 1 43 GLN HB3 3.550 . 3.550 3.133 2.909 3.482 . 0 0 "[ . 1 . 2]" 1
1823 1 42 GLY QA 1 43 GLN HB3 4.890 . 4.890 4.796 4.619 5.069 0.179 13 0 "[ . 1 . 2]" 1
1824 1 52 VAL HB 1 56 THR MG 3.790 . 3.790 2.040 1.841 2.293 . 0 0 "[ . 1 . 2]" 1
1825 1 83 GLN HB3 1 83 GLN HE22 4.340 . 4.340 3.844 3.820 3.881 . 0 0 "[ . 1 . 2]" 1
1826 1 97 GLU HA 1 97 GLU QG 3.460 . 3.460 3.352 3.318 3.486 0.026 16 0 "[ . 1 . 2]" 1
1827 1 71 VAL HB 1 72 PRO QD 3.610 . 3.610 2.135 2.035 2.241 . 0 0 "[ . 1 . 2]" 1
1828 1 93 GLU H 1 93 GLU HB2 3.340 . 3.340 2.243 2.189 2.289 . 0 0 "[ . 1 . 2]" 1
1829 1 40 VAL HB 1 50 PHE QD 4.460 . 4.460 4.286 4.237 4.356 . 0 0 "[ . 1 . 2]" 1
1830 1 25 GLU HA 1 25 GLU QG 3.570 . 3.570 2.480 2.251 3.488 . 0 0 "[ . 1 . 2]" 1
1831 1 40 VAL HB 1 48 ILE QG 3.810 . 3.810 3.619 3.426 3.810 . 0 0 "[ . 1 . 2]" 1
1832 1 19 GLU QG 1 20 ALA H 3.710 . 3.710 3.420 1.838 3.843 0.133 2 0 "[ . 1 . 2]" 1
1833 1 34 GLU H 1 34 GLU QG 3.970 . 3.970 3.052 2.229 4.069 0.099 10 0 "[ . 1 . 2]" 1
1834 1 67 GLN QB 1 67 GLN HE22 4.110 . 4.110 4.063 4.044 4.116 0.006 2 0 "[ . 1 . 2]" 1
1835 1 71 VAL HB 1 108 GLN HE22 5.890 . 5.890 4.417 3.778 5.229 . 0 0 "[ . 1 . 2]" 1
1836 1 40 VAL HB 1 49 HIS HA 5.680 . 5.680 5.348 5.261 5.416 . 0 0 "[ . 1 . 2]" 1
1837 1 98 GLU HB2 1 98 GLU QG 2.400 . 2.400 2.370 2.306 2.436 0.036 8 0 "[ . 1 . 2]" 1
1838 1 62 LYS QG 1 63 GLU HG3 5.820 . 5.820 5.296 3.892 6.063 0.243 1 0 "[ . 1 . 2]" 1
1839 1 98 GLU H 1 98 GLU QG 3.890 . 3.890 2.187 1.972 2.352 . 0 0 "[ . 1 . 2]" 1
1840 1 98 GLU HA 1 98 GLU QG 3.350 . 3.350 3.345 3.335 3.363 0.013 14 0 "[ . 1 . 2]" 1
1841 1 90 THR HA 1 93 GLU QG 5.550 . 5.550 5.324 5.042 5.502 . 0 0 "[ . 1 . 2]" 1
1842 1 22 PRO HB2 1 23 SER HA 4.940 . 4.940 4.473 4.014 4.940 0.000 2 0 "[ . 1 . 2]" 1
1843 1 90 THR HB 1 93 GLU QG 5.370 . 5.370 4.140 4.004 4.288 . 0 0 "[ . 1 . 2]" 1
1844 1 41 ILE QG 1 47 GLU QG 4.460 . 4.460 3.911 3.809 4.147 . 0 0 "[ . 1 . 2]" 1
1845 1 17 ASP H 1 18 GLN QG 4.170 . 4.170 3.658 2.697 4.283 0.113 7 0 "[ . 1 . 2]" 1
1846 1 75 SER HB3 1 108 GLN QG 4.770 . 4.770 2.006 1.842 2.178 . 0 0 "[ . 1 . 2]" 1
1847 1 80 PHE H 1 83 GLN QG 3.830 . 3.830 2.569 2.533 2.605 . 0 0 "[ . 1 . 2]" 1
1848 1 108 GLN H 1 108 GLN QG 3.310 . 3.310 2.217 2.074 2.326 . 0 0 "[ . 1 . 2]" 1
1849 1 105 TYR HB3 1 106 GLN H 3.790 . 3.790 2.120 2.004 2.325 . 0 0 "[ . 1 . 2]" 1
1850 1 105 TYR H 1 105 TYR HB3 3.710 . 3.710 3.714 3.679 3.748 0.038 13 0 "[ . 1 . 2]" 1
1851 1 107 GLU H 1 108 GLN QG 3.860 . 3.860 3.115 2.924 3.314 . 0 0 "[ . 1 . 2]" 1
1852 1 18 GLN QG 1 19 GLU H 4.190 . 4.190 3.671 2.194 4.564 0.374 11 0 "[ . 1 . 2]" 1
1853 1 83 GLN H 1 83 GLN QG 3.210 . 3.210 2.709 2.666 2.761 . 0 0 "[ . 1 . 2]" 1
1854 1 79 LEU HA 1 83 GLN QG 4.350 . 4.350 3.968 3.920 4.014 . 0 0 "[ . 1 . 2]" 1
1855 1 80 PHE HA 1 83 GLN QG 4.690 . 4.690 4.548 4.494 4.595 . 0 0 "[ . 1 . 2]" 1
1856 1 76 LEU HA 1 108 GLN QG 4.270 . 4.270 4.252 4.113 4.324 0.054 13 0 "[ . 1 . 2]" 1
1857 1 99 GLU QB 1 100 ASP HA 4.410 . 4.410 4.315 4.106 4.438 0.028 11 0 "[ . 1 . 2]" 1
1858 1 83 GLN QG 1 84 ARG HA 4.260 . 4.260 3.982 3.919 4.066 . 0 0 "[ . 1 . 2]" 1
1859 1 106 GLN QG 1 108 GLN QG 2.770 . 2.770 2.303 2.106 2.480 . 0 0 "[ . 1 . 2]" 1
1860 1 83 GLN HB3 1 83 GLN QG 2.730 . 2.730 2.385 2.365 2.397 . 0 0 "[ . 1 . 2]" 1
1861 1 83 GLN HB2 1 83 GLN QG 2.540 . 2.540 2.302 2.288 2.329 . 0 0 "[ . 1 . 2]" 1
1862 1 77 ARG QG 1 105 TYR HB3 4.680 . 4.680 3.826 3.010 4.500 . 0 0 "[ . 1 . 2]" 1
1863 1 79 LEU MD2 1 103 GLU HG2 4.530 . 4.530 3.477 2.741 3.967 . 0 0 "[ . 1 . 2]" 1
1864 1 76 LEU H 1 108 GLN QG 4.960 . 4.960 4.721 4.584 4.958 . 0 0 "[ . 1 . 2]" 1
1865 1 75 SER HA 1 108 GLN QG 3.690 . 3.690 2.635 2.425 2.960 . 0 0 "[ . 1 . 2]" 1
1866 1 37 LYS QE 1 99 GLU QB 3.810 . 3.810 3.574 2.295 3.963 0.153 1 0 "[ . 1 . 2]" 1
1867 1 99 GLU H 1 99 GLU QG 4.290 . 4.290 3.689 2.912 4.435 0.145 13 0 "[ . 1 . 2]" 1
1868 1 67 GLN H 1 67 GLN HG3 3.340 . 3.340 3.227 2.909 3.422 0.082 2 0 "[ . 1 . 2]" 1
1869 1 99 GLU QG 1 100 ASP H 4.610 . 4.610 4.532 4.363 4.757 0.147 6 0 "[ . 1 . 2]" 1
1870 1 67 GLN HG3 1 68 ARG H 3.900 . 3.900 2.382 2.089 2.491 . 0 0 "[ . 1 . 2]" 1
1871 1 72 PRO QB 1 75 SER H 4.040 . 4.040 3.276 3.044 3.591 . 0 0 "[ . 1 . 2]" 1
1872 1 62 LYS QE 1 78 PHE QD 4.630 . 4.630 3.115 2.879 3.420 . 0 0 "[ . 1 . 2]" 1
1873 1 62 LYS QE 1 89 HIS H 5.690 . 5.690 5.863 5.712 6.147 0.457 1 0 "[ . 1 . 2]" 1
1874 1 43 GLN QG 1 76 LEU HA 4.690 . 4.690 3.723 3.306 3.996 . 0 0 "[ . 1 . 2]" 1
1875 1 76 LEU HA 1 106 GLN QG 4.970 . 4.970 3.971 3.794 4.233 . 0 0 "[ . 1 . 2]" 1
1876 1 71 VAL HA 1 72 PRO QB 4.640 . 4.640 4.639 4.577 4.674 0.034 17 0 "[ . 1 . 2]" 1
1877 1 64 SER HA 1 67 GLN HG3 3.840 . 3.840 3.478 3.234 3.780 . 0 0 "[ . 1 . 2]" 1
1878 1 99 GLU HA 1 99 GLU QG 3.330 . 3.330 2.433 2.195 2.846 . 0 0 "[ . 1 . 2]" 1
1879 1 62 LYS QE 1 85 ILE HB 3.740 . 3.740 3.040 2.434 3.666 . 0 0 "[ . 1 . 2]" 1
1880 1 43 GLN QG 1 104 VAL HB 4.440 . 4.440 4.013 3.659 4.397 . 0 0 "[ . 1 . 2]" 1
1881 1 62 LYS QE 1 85 ILE MG 3.590 . 3.590 3.189 2.760 3.614 0.024 19 0 "[ . 1 . 2]" 1
1882 1 43 GLN QG 1 76 LEU HB3 3.670 . 3.670 2.671 2.359 3.059 . 0 0 "[ . 1 . 2]" 1
1883 1 62 LYS QE 1 89 HIS HB2 5.900 . 5.900 5.448 5.294 5.893 . 0 0 "[ . 1 . 2]" 1
1884 1 62 LYS QE 1 78 PHE HE2 4.950 . 4.950 3.198 3.004 3.330 . 0 0 "[ . 1 . 2]" 1
1885 1 40 VAL MG2 1 78 PHE HB3 4.580 . 4.580 4.436 4.254 4.581 0.001 16 0 "[ . 1 . 2]" 1
1886 1 36 ILE H 1 54 MET QG 4.460 . 4.460 4.056 3.840 4.277 . 0 0 "[ . 1 . 2]" 1
1887 1 78 PHE HB3 1 104 VAL HA 4.370 . 4.370 4.435 4.334 4.506 0.136 6 0 "[ . 1 . 2]" 1
1888 1 60 LYS HA 1 63 GLU HG2 4.740 . 4.740 2.255 2.088 2.431 . 0 0 "[ . 1 . 2]" 1
1889 1 54 MET QG 1 92 LYS HA 5.560 . 5.560 5.239 5.122 5.402 . 0 0 "[ . 1 . 2]" 1
1890 1 50 PHE HB3 1 51 LYS H 3.970 . 3.970 3.438 3.301 3.672 . 0 0 "[ . 1 . 2]" 1
1891 1 88 ASN H 1 88 ASN HB3 3.700 . 3.700 3.680 3.655 3.712 0.012 13 0 "[ . 1 . 2]" 1
1892 1 49 HIS HA 1 50 PHE HB3 5.110 . 5.110 4.897 4.854 4.947 . 0 0 "[ . 1 . 2]" 1
1893 1 88 ASN HB3 1 90 THR MG 5.240 . 5.240 5.069 4.913 5.189 . 0 0 "[ . 1 . 2]" 1
1894 1 48 ILE MG 1 50 PHE HB3 4.400 . 4.400 3.566 3.463 3.676 . 0 0 "[ . 1 . 2]" 1
1895 1 50 PHE HB3 1 61 LEU MD2 5.530 . 5.530 5.345 5.115 5.516 . 0 0 "[ . 1 . 2]" 1
1896 1 66 CYS HA 1 67 GLN HG2 5.820 . 5.820 5.561 5.429 5.816 . 0 0 "[ . 1 . 2]" 1
1897 1 50 PHE HB3 1 65 TYR HB2 5.700 . 5.700 5.737 5.662 5.815 0.115 6 0 "[ . 1 . 2]" 1
1898 1 66 CYS H 1 67 GLN HG2 4.780 . 4.780 4.096 3.961 4.416 . 0 0 "[ . 1 . 2]" 1
1899 1 64 SER H 1 67 GLN HG2 4.840 . 4.840 4.444 4.327 4.616 . 0 0 "[ . 1 . 2]" 1
1900 1 50 PHE HB3 1 64 SER QB 4.250 . 4.250 3.831 3.438 4.109 . 0 0 "[ . 1 . 2]" 1
1901 1 66 CYS HB2 1 67 GLN HG2 4.980 . 4.980 4.454 4.321 4.742 . 0 0 "[ . 1 . 2]" 1
1902 1 73 MET ME 1 87 ASP QB 5.570 . 5.570 5.107 4.370 5.691 0.121 2 0 "[ . 1 . 2]" 1
1903 1 59 LYS HB2 1 87 ASP QB 4.430 . 4.430 2.653 2.297 3.095 . 0 0 "[ . 1 . 2]" 1
1904 1 86 ALA HA 1 87 ASP QB 5.480 . 5.480 4.575 4.409 4.732 . 0 0 "[ . 1 . 2]" 1
1905 1 26 ASP H 1 26 ASP QB 3.110 . 3.110 2.474 2.257 2.728 . 0 0 "[ . 1 . 2]" 1
1906 1 35 TYR HB3 1 52 VAL HA 5.080 . 5.080 4.582 3.877 5.092 0.012 10 0 "[ . 1 . 2]" 1
1907 1 25 GLU HA 1 26 ASP QB 4.690 . 4.690 4.171 3.926 4.485 . 0 0 "[ . 1 . 2]" 1
1908 1 87 ASP QB 1 88 ASN HA 4.990 . 4.990 4.139 3.923 4.484 . 0 0 "[ . 1 . 2]" 1
1909 1 59 LYS QE 1 87 ASP QB 4.060 . 4.060 3.109 2.262 3.500 . 0 0 "[ . 1 . 2]" 1
1910 1 35 TYR HB3 1 53 LYS QD 4.080 . 4.080 3.796 2.607 4.222 0.142 17 0 "[ . 1 . 2]" 1
1911 1 86 ALA MB 1 87 ASP QB 4.510 . 4.510 4.096 3.905 4.415 . 0 0 "[ . 1 . 2]" 1
1912 1 44 ASP HB3 1 46 SER HB3 5.380 . 5.380 3.854 2.857 4.226 . 0 0 "[ . 1 . 2]" 1
1913 1 29 ASP QB 1 30 LYS H 3.800 . 3.800 3.529 2.749 3.912 0.112 13 0 "[ . 1 . 2]" 1
1914 1 16 SER QB 1 17 ASP QB 4.630 . 4.630 4.068 3.383 4.859 0.229 18 0 "[ . 1 . 2]" 1
1915 1 73 MET H 1 73 MET QG 3.300 . 3.300 2.060 1.973 2.378 . 0 0 "[ . 1 . 2]" 1
1916 1 79 LEU HA 1 80 PHE HB3 4.880 . 4.880 4.369 4.324 4.439 . 0 0 "[ . 1 . 2]" 1
1917 1 73 MET HA 1 73 MET QG 2.960 . 2.960 2.489 2.318 2.522 . 0 0 "[ . 1 . 2]" 1
1918 1 63 GLU HA 1 73 MET QG 3.600 . 3.600 2.936 2.757 3.605 0.005 3 0 "[ . 1 . 2]" 1
1919 1 66 CYS HB2 1 73 MET QG 4.050 . 4.050 2.534 2.351 3.444 . 0 0 "[ . 1 . 2]" 1
1920 1 66 CYS HB3 1 73 MET QG 3.600 . 3.600 2.647 2.362 3.370 . 0 0 "[ . 1 . 2]" 1
1921 1 72 PRO QB 1 73 MET QG 4.360 . 4.360 4.441 4.401 4.478 0.118 14 0 "[ . 1 . 2]" 1
1922 1 80 PHE HB3 1 102 ILE MG 3.720 . 3.720 3.581 3.433 3.726 0.006 6 0 "[ . 1 . 2]" 1
1923 1 62 LYS QG 1 73 MET QG 6.000 . 6.000 5.595 4.647 6.145 0.145 8 0 "[ . 1 . 2]" 1
1924 1 37 LYS QE 1 99 GLU H 4.710 . 4.710 3.387 2.763 3.926 . 0 0 "[ . 1 . 2]" 1
1925 1 51 LYS H 1 51 LYS QE 5.190 . 5.190 4.511 3.098 5.209 0.019 2 0 "[ . 1 . 2]" 1
1926 1 37 LYS H 1 37 LYS QE 3.930 . 3.930 2.972 2.388 3.557 . 0 0 "[ . 1 . 2]" 1
1927 1 37 LYS HA 1 37 LYS QE 4.530 . 4.530 4.280 3.979 4.454 . 0 0 "[ . 1 . 2]" 1
1928 1 39 LYS HA 1 39 LYS QE 5.150 . 5.150 4.447 4.392 4.513 . 0 0 "[ . 1 . 2]" 1
1929 1 37 LYS QE 1 98 GLU HA 4.980 . 4.980 4.189 3.481 4.980 . 0 0 "[ . 1 . 2]" 1
1930 1 37 LYS QE 1 99 GLU HA 4.230 . 4.230 3.693 3.268 3.974 . 0 0 "[ . 1 . 2]" 1
1931 1 37 LYS QE 1 98 GLU QG 4.610 . 4.610 4.059 3.302 4.759 0.149 19 0 "[ . 1 . 2]" 1
1932 1 39 LYS QE 1 101 VAL HB 4.250 . 4.250 2.659 2.365 3.149 . 0 0 "[ . 1 . 2]" 1
1933 1 39 LYS QE 1 39 LYS HG2 3.460 . 3.460 3.436 3.290 3.495 0.035 5 0 "[ . 1 . 2]" 1
1934 1 51 LYS HA 1 51 LYS QE 4.490 . 4.490 4.378 4.011 4.639 0.149 15 0 "[ . 1 . 2]" 1
1935 1 89 HIS HB3 1 94 LEU H 5.450 . 5.450 5.102 4.962 5.238 . 0 0 "[ . 1 . 2]" 1
1936 1 55 THR HB 1 92 LYS QE 5.310 . 5.310 4.719 3.966 5.342 0.032 20 0 "[ . 1 . 2]" 1
1937 1 59 LYS QE 1 87 ASP HA 5.050 . 5.050 4.668 4.031 5.157 0.107 3 0 "[ . 1 . 2]" 1
1938 1 59 LYS HA 1 59 LYS QE 4.670 . 4.670 4.170 4.046 4.693 0.023 3 0 "[ . 1 . 2]" 1
1939 1 92 LYS QE 1 93 GLU HB2 3.980 . 3.980 4.104 3.993 4.253 0.273 20 0 "[ . 1 . 2]" 1
1940 1 59 LYS QE 1 60 LYS H 4.770 . 4.770 4.277 4.179 4.557 . 0 0 "[ . 1 . 2]" 1
1941 1 92 LYS QE 1 94 LEU H 5.870 . 5.870 5.727 5.597 5.822 . 0 0 "[ . 1 . 2]" 1
1942 1 55 THR HA 1 92 LYS QE 4.420 . 4.420 3.367 2.595 4.433 0.013 20 0 "[ . 1 . 2]" 1
1943 1 59 LYS QE 1 88 ASN HA 5.760 . 5.760 5.842 4.516 6.035 0.275 12 0 "[ . 1 . 2]" 1
1944 1 92 LYS QE 1 93 GLU HB3 5.040 . 5.040 4.800 4.652 4.897 . 0 0 "[ . 1 . 2]" 1
1945 1 50 PHE HB2 1 64 SER QB 4.360 . 4.360 4.157 3.810 4.365 0.005 5 0 "[ . 1 . 2]" 1
1946 1 77 ARG QD 1 107 GLU H 5.300 . 5.300 5.012 4.475 5.315 0.015 14 0 "[ . 1 . 2]" 1
1947 1 50 PHE HB2 1 61 LEU HA 5.040 . 5.040 4.393 4.138 4.614 . 0 0 "[ . 1 . 2]" 1
1948 1 60 LYS QE 1 61 LEU HA 5.450 . 5.450 4.596 3.326 5.827 0.377 18 0 "[ . 1 . 2]" 1
1949 1 36 ILE MD 1 100 ASP HB2 4.210 . 4.210 4.147 3.922 4.243 0.033 18 0 "[ . 1 . 2]" 1
1950 1 40 VAL MG2 1 65 TYR HB3 3.680 . 3.680 3.322 3.184 3.413 . 0 0 "[ . 1 . 2]" 1
1951 1 53 LYS H 1 60 LYS QE 5.300 . 5.300 4.885 4.100 5.336 0.036 3 0 "[ . 1 . 2]" 1
1952 1 21 LYS QE 1 22 PRO HD2 5.490 . 5.490 4.236 2.180 5.565 0.075 1 0 "[ . 1 . 2]" 1
1953 1 44 ASP HB2 1 46 SER HB3 5.830 . 5.830 5.350 4.543 5.765 . 0 0 "[ . 1 . 2]" 1
1954 1 65 TYR HB3 1 68 ARG QB 4.770 . 4.770 4.788 4.714 4.865 0.095 19 0 "[ . 1 . 2]" 1
1955 1 21 LYS QE 1 21 LYS QG 2.960 . 2.960 2.415 2.129 2.825 . 0 0 "[ . 1 . 2]" 1
1956 1 60 LYS QE 1 60 LYS QG 3.240 . 3.240 2.464 2.253 2.879 . 0 0 "[ . 1 . 2]" 1
1957 1 38 LEU HG 1 100 ASP HB2 3.790 . 3.790 3.639 3.301 3.832 0.042 18 0 "[ . 1 . 2]" 1
1958 1 50 PHE HB2 1 51 LYS H 3.870 . 3.870 2.528 2.212 2.910 . 0 0 "[ . 1 . 2]" 1
1959 1 31 LYS QE 1 32 GLU H 4.250 . 4.250 3.604 1.806 4.375 0.125 18 0 "[ . 1 . 2]" 1
1960 1 60 LYS H 1 60 LYS QE 4.760 . 4.760 4.618 3.730 4.890 0.130 11 0 "[ . 1 . 2]" 1
1961 1 50 PHE HE2 1 65 TYR HB3 3.590 . 3.590 2.439 2.326 2.537 . 0 0 "[ . 1 . 2]" 1
1962 1 40 VAL HB 1 65 TYR HB3 4.290 . 4.290 3.617 3.526 3.689 . 0 0 "[ . 1 . 2]" 1
1963 1 97 GLU QG 1 100 ASP HB2 4.480 . 4.480 2.876 2.538 3.581 . 0 0 "[ . 1 . 2]" 1
1964 1 52 VAL HB 1 60 LYS QE 4.510 . 4.510 4.058 3.236 4.578 0.068 7 0 "[ . 1 . 2]" 1
1965 1 96 MET QG 1 100 ASP HB2 4.440 . 4.440 4.448 4.283 4.497 0.057 18 0 "[ . 1 . 2]" 1
1966 1 44 ASP HB2 1 45 SER H 4.400 . 4.400 4.392 4.300 4.463 0.063 18 0 "[ . 1 . 2]" 1
1967 1 60 LYS HA 1 60 LYS QE 4.470 . 4.470 4.251 3.990 4.631 0.161 11 0 "[ . 1 . 2]" 1
1968 1 48 ILE HB 1 65 TYR HB3 3.880 . 3.880 3.593 3.438 3.732 . 0 0 "[ . 1 . 2]" 1
1969 1 74 ASN HB2 1 75 SER HA 4.800 . 4.800 4.535 4.447 4.636 . 0 0 "[ . 1 . 2]" 1
1970 1 49 HIS HB2 1 50 PHE HA 4.860 . 4.860 4.805 4.718 4.880 0.020 3 0 "[ . 1 . 2]" 1
1971 1 74 ASN HA 1 74 ASN HB2 2.970 . 2.970 2.526 2.479 2.571 . 0 0 "[ . 1 . 2]" 1
1972 1 66 CYS HB3 1 67 GLN HA 4.070 . 4.070 4.191 4.152 4.221 0.151 1 0 "[ . 1 . 2]" 1
1973 1 62 LYS HA 1 66 CYS H 4.740 . 4.740 4.210 4.120 4.345 . 0 0 "[ . 1 . 2]" 1
1974 1 57 HIS HB3 1 88 ASN HA 4.790 . 4.790 3.681 3.392 3.911 . 0 0 "[ . 1 . 2]" 1
1975 1 57 HIS HB3 1 87 ASP HA 4.870 . 4.870 4.393 4.122 4.603 . 0 0 "[ . 1 . 2]" 1
1976 1 61 LEU HA 1 62 LYS HA 5.050 . 5.050 4.793 4.713 4.865 . 0 0 "[ . 1 . 2]" 1
1977 1 57 HIS HB3 1 59 LYS HA 4.930 . 4.930 4.666 4.564 4.838 . 0 0 "[ . 1 . 2]" 1
1978 1 57 HIS HB3 1 87 ASP QB 4.820 . 4.820 4.535 4.356 4.658 . 0 0 "[ . 1 . 2]" 1
1979 1 57 HIS HB3 1 59 LYS HG2 4.320 . 4.320 2.373 1.887 2.616 . 0 0 "[ . 1 . 2]" 1
1980 1 57 HIS HB3 1 90 THR MG 5.170 . 5.170 4.270 4.100 4.398 . 0 0 "[ . 1 . 2]" 1
1981 1 58 LEU QD 1 62 LYS HA 4.610 . 4.610 4.058 3.905 4.283 . 0 0 "[ . 1 . 2]" 1
1982 1 40 VAL MG2 1 62 LYS HA 4.290 . 4.290 4.359 4.271 4.440 0.150 5 0 "[ . 1 . 2]" 1
1983 1 49 HIS H 1 68 ARG QD 5.350 . 5.350 5.070 4.418 5.426 0.076 7 0 "[ . 1 . 2]" 1
1984 1 53 LYS QE 1 55 THR H 5.120 . 5.120 3.316 3.004 4.093 . 0 0 "[ . 1 . 2]" 1
1985 1 53 LYS QE 1 54 MET H 5.570 . 5.570 3.492 3.140 3.713 . 0 0 "[ . 1 . 2]" 1
1986 1 35 TYR H 1 53 LYS QE 5.710 . 5.710 5.280 4.476 5.995 0.285 14 0 "[ . 1 . 2]" 1
1987 1 68 ARG H 1 68 ARG QD 4.510 . 4.510 3.935 3.363 4.369 . 0 0 "[ . 1 . 2]" 1
1988 1 34 GLU HA 1 53 LYS QE 6.000 . 6.000 4.961 4.091 6.006 0.006 6 0 "[ . 1 . 2]" 1
1989 1 68 ARG QD 1 69 GLN HA 6.000 . 6.000 5.921 5.608 6.134 0.134 3 0 "[ . 1 . 2]" 1
1990 1 53 LYS QE 1 54 MET HA 5.660 . 5.660 5.824 5.661 5.970 0.310 12 0 "[ . 1 . 2]" 1
1991 1 53 LYS QE 1 56 THR HB 5.420 . 5.420 5.126 4.279 5.589 0.169 10 0 "[ . 1 . 2]" 1
1992 1 53 LYS H 1 53 LYS QE 5.910 . 5.910 5.522 4.898 6.023 0.113 14 0 "[ . 1 . 2]" 1
1993 1 79 LEU HA 1 84 ARG QD 5.750 . 5.750 5.652 5.349 5.997 0.247 12 0 "[ . 1 . 2]" 1
1994 1 57 HIS HB2 1 59 LYS HA 6.000 . 6.000 5.797 5.577 6.009 0.009 9 0 "[ . 1 . 2]" 1
1995 1 88 ASN HA 1 89 HIS HB2 5.500 . 5.500 5.397 5.359 5.439 . 0 0 "[ . 1 . 2]" 1
1996 1 48 ILE MG 1 65 TYR HB2 5.580 . 5.580 2.199 2.018 2.309 . 0 0 "[ . 1 . 2]" 1
1997 1 50 PHE HE2 1 65 TYR HB2 4.690 . 4.690 2.545 2.452 2.654 . 0 0 "[ . 1 . 2]" 1
1998 1 80 PHE H 1 82 GLY HA3 6.000 . 6.000 5.785 5.716 5.854 . 0 0 "[ . 1 . 2]" 1
1999 1 66 CYS HB2 1 72 PRO HA 5.980 . 5.980 5.447 5.174 5.624 . 0 0 "[ . 1 . 2]" 1
2000 1 64 SER HA 1 66 CYS HB2 5.480 . 5.480 5.330 5.202 5.436 . 0 0 "[ . 1 . 2]" 1
2001 1 82 GLY HA3 1 83 GLN QG 5.920 . 5.920 5.651 5.616 5.699 . 0 0 "[ . 1 . 2]" 1
2002 1 82 GLY HA3 1 83 GLN HB3 4.680 . 4.680 4.663 4.616 4.691 0.011 1 0 "[ . 1 . 2]" 1
2003 1 63 GLU QB 1 66 CYS HB2 6.000 . 6.000 4.120 3.960 4.239 . 0 0 "[ . 1 . 2]" 1
2004 1 81 GLU HB2 1 82 GLY HA3 5.260 . 5.260 5.035 5.006 5.054 . 0 0 "[ . 1 . 2]" 1
2005 1 80 PHE QD 1 81 GLU HA 4.700 . 4.700 4.802 4.750 4.824 0.124 2 0 "[ . 1 . 2]" 1
2006 1 80 PHE QE 1 81 GLU HA 5.190 . 5.190 5.169 5.041 5.226 0.036 2 0 "[ . 1 . 2]" 1
2007 1 80 PHE HA 1 81 GLU HA 4.410 . 4.410 4.330 4.305 4.363 . 0 0 "[ . 1 . 2]" 1
2008 1 81 GLU HA 1 82 GLY HA2 4.990 . 4.990 4.754 4.697 4.820 . 0 0 "[ . 1 . 2]" 1
2009 1 80 PHE HB3 1 81 GLU HA 5.820 . 5.820 5.798 5.764 5.834 0.014 5 0 "[ . 1 . 2]" 1
2010 1 79 LEU MD2 1 81 GLU HA 5.230 . 5.230 4.218 4.125 4.331 . 0 0 "[ . 1 . 2]" 1
2011 1 59 LYS HA 1 88 ASN H 6.000 . 6.000 5.913 5.672 6.037 0.037 7 0 "[ . 1 . 2]" 1
2012 1 59 LYS HA 1 87 ASP HA 3.680 . 3.680 2.527 2.265 2.687 . 0 0 "[ . 1 . 2]" 1
2013 1 21 LYS HB3 1 22 PRO HD3 4.420 . 4.420 4.031 3.291 4.477 0.057 11 0 "[ . 1 . 2]" 1
2014 1 58 LEU QB 1 59 LYS HA 4.680 . 4.680 3.834 3.777 3.896 . 0 0 "[ . 1 . 2]" 1
2015 1 59 LYS HA 1 59 LYS HG3 4.060 . 4.060 3.600 3.551 3.630 . 0 0 "[ . 1 . 2]" 1
2016 1 58 LEU QD 1 59 LYS HA 5.960 . 5.960 4.495 4.247 4.839 . 0 0 "[ . 1 . 2]" 1
2017 1 72 PRO QD 1 76 LEU QD 6.000 . 6.000 4.879 4.700 5.064 . 0 0 "[ . 1 . 2]" 1
2018 1 59 LYS HA 1 61 LEU MD2 6.000 . 6.000 5.846 5.694 6.014 0.014 13 0 "[ . 1 . 2]" 1
2019 1 59 LYS HA 1 62 LYS QG 4.910 . 4.910 2.650 2.044 3.679 . 0 0 "[ . 1 . 2]" 1
2020 1 37 LYS H 1 99 GLU HA 4.670 . 4.670 4.485 4.127 4.639 . 0 0 "[ . 1 . 2]" 1
2021 1 61 LEU HA 1 64 SER HA 5.290 . 5.290 5.278 5.162 5.341 0.051 15 0 "[ . 1 . 2]" 1
2022 1 98 GLU HA 1 99 GLU HA 4.460 . 4.460 4.293 4.201 4.393 . 0 0 "[ . 1 . 2]" 1
2023 1 61 LEU HA 1 65 TYR HB3 6.000 . 6.000 4.916 4.756 5.122 . 0 0 "[ . 1 . 2]" 1
2024 1 61 LEU HA 1 62 LYS QG 5.740 . 5.740 4.991 4.925 5.087 . 0 0 "[ . 1 . 2]" 1
2025 1 42 GLY QA 1 43 GLN HA 4.360 . 4.360 3.949 3.901 3.982 . 0 0 "[ . 1 . 2]" 1
2026 1 42 GLY QA 1 46 SER HB2 4.790 . 4.790 3.497 1.982 4.152 . 0 0 "[ . 1 . 2]" 1
2027 1 60 LYS QB 1 61 LEU HA 4.710 . 4.710 4.348 3.531 4.506 . 0 0 "[ . 1 . 2]" 1
2028 1 21 LYS QG 1 22 PRO HD2 5.100 . 5.100 4.157 3.483 4.841 . 0 0 "[ . 1 . 2]" 1
2029 1 56 THR H 1 91 PRO QD 5.260 . 5.260 3.218 3.091 3.385 . 0 0 "[ . 1 . 2]" 1
2030 1 57 HIS HD2 1 91 PRO QD 5.660 . 5.660 4.935 4.838 5.078 . 0 0 "[ . 1 . 2]" 1
2031 1 87 ASP HA 1 88 ASN HD22 6.000 . 6.000 5.797 5.658 5.897 . 0 0 "[ . 1 . 2]" 1
2032 1 75 SER HB3 1 76 LEU HA 5.140 . 5.140 4.641 4.535 4.768 . 0 0 "[ . 1 . 2]" 1
2033 1 87 ASP HA 1 89 HIS HB2 5.750 . 5.750 4.748 4.624 4.895 . 0 0 "[ . 1 . 2]" 1
2034 1 91 PRO QD 1 92 LYS QE 6.000 . 6.000 5.020 4.506 5.734 . 0 0 "[ . 1 . 2]" 1
2035 1 59 LYS HB3 1 87 ASP HA 3.810 . 3.810 2.095 1.929 2.275 . 0 0 "[ . 1 . 2]" 1
2036 1 59 LYS HG3 1 87 ASP HA 4.420 . 4.420 4.445 4.388 4.521 0.101 4 0 "[ . 1 . 2]" 1
2037 1 36 ILE MG 1 53 LYS HA 3.850 . 3.850 3.767 3.588 3.944 0.094 6 0 "[ . 1 . 2]" 1
2038 1 91 PRO QD 1 94 LEU MD2 5.760 . 5.760 5.674 5.602 5.738 . 0 0 "[ . 1 . 2]" 1
2039 1 62 LYS QG 1 87 ASP HA 6.000 . 6.000 4.205 3.650 5.022 . 0 0 "[ . 1 . 2]" 1
2040 1 35 TYR QD 1 53 LYS HA 6.000 . 6.000 4.593 4.324 4.926 . 0 0 "[ . 1 . 2]" 1
2041 1 35 TYR HA 1 53 LYS HA 5.190 . 5.190 2.105 1.898 2.437 . 0 0 "[ . 1 . 2]" 1
2042 1 33 GLY QA 1 35 TYR H 3.920 . 3.920 3.714 3.186 4.105 0.185 13 0 "[ . 1 . 2]" 1
2043 1 95 GLY QA 1 96 MET QG 4.470 . 4.470 4.018 3.961 4.078 . 0 0 "[ . 1 . 2]" 1
2044 1 28 GLY QA 1 29 ASP HA 4.240 . 4.240 4.067 3.965 4.232 . 0 0 "[ . 1 . 2]" 1
2045 1 27 LEU HA 1 28 GLY QA 4.640 . 4.640 4.071 3.847 4.445 . 0 0 "[ . 1 . 2]" 1
2046 1 44 ASP HB3 1 46 SER HB2 4.380 . 4.380 3.083 2.238 4.386 0.006 1 0 "[ . 1 . 2]" 1
2047 1 66 CYS HA 1 69 GLN HE22 4.820 . 4.820 2.272 2.122 2.388 . 0 0 "[ . 1 . 2]" 1
2048 1 66 CYS HA 1 73 MET HA 5.370 . 5.370 5.065 4.943 5.466 0.096 3 0 "[ . 1 . 2]" 1
2049 1 67 GLN HA 1 70 GLY QA 3.780 . 3.780 3.356 3.206 3.500 . 0 0 "[ . 1 . 2]" 1
2050 1 33 GLY QA 1 35 TYR HB3 5.900 . 5.900 4.943 4.005 5.874 . 0 0 "[ . 1 . 2]" 1
2051 1 66 CYS HA 1 76 LEU QD 4.430 . 4.430 2.825 2.687 3.032 . 0 0 "[ . 1 . 2]" 1
2052 1 92 LYS HA 1 96 MET H 3.520 . 3.520 3.354 3.180 3.479 . 0 0 "[ . 1 . 2]" 1
2053 1 53 LYS QB 1 56 THR HB 4.340 . 4.340 2.135 1.908 2.548 . 0 0 "[ . 1 . 2]" 1
2054 1 92 LYS HA 1 92 LYS QG 3.720 . 3.720 3.314 3.292 3.329 . 0 0 "[ . 1 . 2]" 1
2055 1 92 LYS QG 1 93 GLU HA 4.050 . 4.050 3.349 3.217 3.711 . 0 0 "[ . 1 . 2]" 1
2056 1 36 ILE MD 1 92 LYS HA 5.390 . 5.390 5.121 5.007 5.283 . 0 0 "[ . 1 . 2]" 1
2057 1 53 LYS H 1 56 THR HB 4.890 . 4.890 3.132 2.918 3.502 . 0 0 "[ . 1 . 2]" 1
2058 1 58 LEU HA 1 59 LYS HA 5.310 . 5.310 4.866 4.833 4.894 . 0 0 "[ . 1 . 2]" 1
2059 1 58 LEU HA 1 59 LYS HG3 5.290 . 5.290 4.872 4.701 4.991 . 0 0 "[ . 1 . 2]" 1
2060 1 41 ILE MG 1 45 SER QB 4.720 . 4.720 3.886 2.952 4.410 . 0 0 "[ . 1 . 2]" 1
2061 1 63 GLU HA 1 66 CYS HB2 4.390 . 4.390 2.513 2.371 2.681 . 0 0 "[ . 1 . 2]" 1
2062 1 63 GLU HA 1 63 GLU HG3 4.170 . 4.170 3.721 3.588 3.852 . 0 0 "[ . 1 . 2]" 1
2063 1 63 GLU HG3 1 64 SER QB 4.410 . 4.410 3.489 3.192 3.916 . 0 0 "[ . 1 . 2]" 1
2064 1 58 LEU HA 1 62 LYS QG 6.000 . 6.000 4.327 3.865 4.704 . 0 0 "[ . 1 . 2]" 1
2065 1 62 LYS QG 1 63 GLU HA 6.000 . 6.000 4.914 3.927 5.756 . 0 0 "[ . 1 . 2]" 1
2066 1 67 GLN HG3 1 68 ARG HA 4.340 . 4.340 3.416 3.032 3.558 . 0 0 "[ . 1 . 2]" 1
2067 1 45 SER HA 1 47 GLU H 5.690 . 5.690 5.273 4.849 5.592 . 0 0 "[ . 1 . 2]" 1
2068 1 45 SER QB 1 47 GLU H 6.000 . 6.000 5.025 4.524 5.613 . 0 0 "[ . 1 . 2]" 1
2069 1 65 TYR HA 1 67 GLN H 4.530 . 4.530 4.339 4.258 4.396 . 0 0 "[ . 1 . 2]" 1
2070 1 50 PHE HE2 1 65 TYR HA 4.540 . 4.540 4.106 3.971 4.238 . 0 0 "[ . 1 . 2]" 1
2071 1 65 TYR HA 1 69 GLN HE22 5.480 . 5.480 5.397 5.319 5.468 . 0 0 "[ . 1 . 2]" 1
2072 1 45 SER HA 1 46 SER HA 5.020 . 5.020 4.722 4.686 4.753 . 0 0 "[ . 1 . 2]" 1
2073 1 65 TYR HA 1 68 ARG QG 3.470 . 3.470 2.502 2.174 2.669 . 0 0 "[ . 1 . 2]" 1
2074 1 65 TYR HA 1 69 GLN HE21 5.660 . 5.660 5.057 4.984 5.185 . 0 0 "[ . 1 . 2]" 1
2075 1 41 ILE HA 1 45 SER HA 5.330 . 5.330 4.312 3.669 4.748 . 0 0 "[ . 1 . 2]" 1
2076 1 44 ASP HB3 1 45 SER HA 5.770 . 5.770 5.445 5.325 5.510 . 0 0 "[ . 1 . 2]" 1
2077 1 61 LEU HB2 1 64 SER QB 4.840 . 4.840 4.714 4.622 4.766 . 0 0 "[ . 1 . 2]" 1
2078 1 41 ILE QG 1 45 SER HA 5.850 . 5.850 5.424 4.885 5.766 . 0 0 "[ . 1 . 2]" 1
2079 1 67 GLN HA 1 71 VAL H 4.250 . 4.250 3.532 3.408 3.680 . 0 0 "[ . 1 . 2]" 1
2080 1 54 MET HA 1 56 THR H 6.000 . 6.000 3.774 3.653 3.939 . 0 0 "[ . 1 . 2]" 1
2081 1 75 SER HB2 1 108 GLN HE21 5.450 . 5.450 3.129 2.943 3.627 . 0 0 "[ . 1 . 2]" 1
2082 1 80 PHE HA 1 82 GLY HA2 5.580 . 5.580 5.646 5.604 5.695 0.115 20 0 "[ . 1 . 2]" 1
2083 1 75 SER HB2 1 76 LEU HA 5.780 . 5.780 4.727 4.615 4.860 . 0 0 "[ . 1 . 2]" 1
2084 1 74 ASN HA 1 75 SER HB2 5.600 . 5.600 5.651 5.618 5.681 0.081 3 0 "[ . 1 . 2]" 1
2085 1 43 GLN HA 1 44 ASP HA 4.720 . 4.720 4.628 4.572 4.724 0.004 7 0 "[ . 1 . 2]" 1
2086 1 54 MET HA 1 97 GLU HA 6.000 . 6.000 6.046 5.795 6.175 0.175 10 0 "[ . 1 . 2]" 1
2087 1 54 MET HA 1 55 THR HA 4.880 . 4.880 4.579 4.428 4.666 . 0 0 "[ . 1 . 2]" 1
2088 1 60 LYS HA 1 64 SER QB 4.340 . 4.340 4.396 4.171 4.687 0.347 4 0 "[ . 1 . 2]" 1
2089 1 54 MET HA 1 55 THR MG 5.120 . 5.120 5.097 4.855 5.207 0.087 6 0 "[ . 1 . 2]" 1
2090 1 75 SER HB2 1 76 LEU HG 4.490 . 4.490 3.191 2.873 3.481 . 0 0 "[ . 1 . 2]" 1
2091 1 75 SER HB2 1 76 LEU QD 4.110 . 4.110 3.778 3.637 4.011 . 0 0 "[ . 1 . 2]" 1
2092 1 96 MET HA 1 100 ASP HB3 5.950 . 5.950 4.161 3.848 4.397 . 0 0 "[ . 1 . 2]" 1
2093 1 98 GLU HA 1 100 ASP HB3 6.000 . 6.000 5.456 5.225 5.794 . 0 0 "[ . 1 . 2]" 1
2094 1 56 THR HA 1 90 THR MG 4.760 . 4.760 4.123 3.913 4.319 . 0 0 "[ . 1 . 2]" 1
2095 1 36 ILE HG13 1 98 GLU HA 5.020 . 5.020 3.482 3.319 3.689 . 0 0 "[ . 1 . 2]" 1
2096 1 80 PHE QD 1 94 LEU HA 5.550 . 5.550 4.759 4.363 5.019 . 0 0 "[ . 1 . 2]" 1
2097 1 108 GLN HA 1 109 THR HB 5.480 . 5.480 4.282 4.104 4.696 . 0 0 "[ . 1 . 2]" 1
2098 1 87 ASP H 1 88 ASN HA 6.000 . 6.000 5.180 5.121 5.244 . 0 0 "[ . 1 . 2]" 1
2099 1 88 ASN HA 1 89 HIS HA 5.930 . 5.930 4.657 4.606 4.681 . 0 0 "[ . 1 . 2]" 1
2100 1 57 HIS HA 1 88 ASN HA 4.840 . 4.840 4.648 4.458 4.841 0.001 20 0 "[ . 1 . 2]" 1
2101 1 19 GLU QG 1 20 ALA HA 4.420 . 4.420 3.866 3.592 4.267 . 0 0 "[ . 1 . 2]" 1
2102 1 59 LYS HG3 1 88 ASN HA 5.490 . 5.490 5.476 5.313 5.630 0.140 13 0 "[ . 1 . 2]" 1
2103 1 88 ASN HA 1 90 THR MG 4.880 . 4.880 4.413 4.302 4.503 . 0 0 "[ . 1 . 2]" 1
2104 1 29 ASP HA 1 30 LYS HA 5.320 . 5.320 4.405 4.308 4.653 . 0 0 "[ . 1 . 2]" 1
2105 1 30 LYS HA 1 30 LYS QE 5.900 . 5.900 4.293 2.742 5.145 . 0 0 "[ . 1 . 2]" 1
2106 1 69 GLN HA 1 69 GLN QG 3.860 . 3.860 2.425 2.396 2.455 . 0 0 "[ . 1 . 2]" 1
2107 1 91 PRO HA 1 94 LEU HG 4.370 . 4.370 3.648 3.432 3.755 . 0 0 "[ . 1 . 2]" 1
2108 1 108 GLN HB3 1 109 THR HA 4.800 . 4.800 4.368 4.189 4.593 . 0 0 "[ . 1 . 2]" 1
2109 1 48 ILE HA 1 49 HIS HB2 5.380 . 5.380 4.466 4.358 4.554 . 0 0 "[ . 1 . 2]" 1
2110 1 53 LYS QD 1 55 THR HA 6.000 . 6.000 5.897 5.345 6.447 0.447 20 0 "[ . 1 . 2]" 1
2111 1 55 THR HA 1 92 LYS HB2 6.000 . 6.000 5.124 4.624 5.612 . 0 0 "[ . 1 . 2]" 1
2112 1 84 ARG QB 1 86 ALA HA 6.000 . 6.000 5.283 5.000 5.485 . 0 0 "[ . 1 . 2]" 1
2113 1 39 LYS HG2 1 48 ILE HA 5.410 . 5.410 4.631 4.531 4.733 . 0 0 "[ . 1 . 2]" 1
2114 1 40 VAL MG1 1 48 ILE HA 6.000 . 6.000 4.923 4.802 5.015 . 0 0 "[ . 1 . 2]" 1
2115 1 46 SER HA 1 47 GLU HA 5.860 . 5.860 4.434 4.370 4.518 . 0 0 "[ . 1 . 2]" 1
2116 1 47 GLU HA 1 48 ILE HA 6.000 . 6.000 4.377 4.356 4.410 . 0 0 "[ . 1 . 2]" 1
2117 1 106 GLN HA 1 107 GLU HA 4.760 . 4.760 4.431 4.398 4.481 . 0 0 "[ . 1 . 2]" 1
2118 1 53 LYS QE 1 55 THR HA 5.640 . 5.640 5.535 5.239 5.742 0.102 14 0 "[ . 1 . 2]" 1
2119 1 48 ILE HA 1 68 ARG QB 5.290 . 5.290 4.493 4.319 4.648 . 0 0 "[ . 1 . 2]" 1
2120 1 54 MET HB2 1 55 THR HA 5.790 . 5.790 4.557 4.423 4.977 . 0 0 "[ . 1 . 2]" 1
2121 1 79 LEU HA 1 84 ARG HA 5.610 . 5.610 2.424 2.157 2.612 . 0 0 "[ . 1 . 2]" 1
2122 1 44 ASP HB3 1 46 SER HA 5.800 . 5.800 4.627 4.287 4.845 . 0 0 "[ . 1 . 2]" 1
2123 1 90 THR HB 1 91 PRO QG 5.450 . 5.450 4.123 3.533 4.228 . 0 0 "[ . 1 . 2]" 1
2124 1 76 LEU HA 1 106 GLN HA 5.750 . 5.750 2.246 2.147 2.427 . 0 0 "[ . 1 . 2]" 1
2125 1 106 GLN HA 1 107 GLU QG 6.000 . 6.000 3.895 3.805 4.013 . 0 0 "[ . 1 . 2]" 1
2126 1 36 ILE HA 1 37 LYS HA 5.070 . 5.070 4.384 4.348 4.428 . 0 0 "[ . 1 . 2]" 1
2127 1 80 PHE HA 1 103 GLU HA 5.890 . 5.890 5.745 5.452 5.911 0.021 15 0 "[ . 1 . 2]" 1
2128 1 40 VAL HA 1 103 GLU HA 4.850 . 4.850 4.685 4.484 4.861 0.011 12 0 "[ . 1 . 2]" 1
2129 1 88 ASN HB3 1 89 HIS HA 5.400 . 5.400 4.911 4.834 5.022 . 0 0 "[ . 1 . 2]" 1
2130 1 77 ARG HA 1 78 PHE HA 5.400 . 5.400 4.372 4.322 4.394 . 0 0 "[ . 1 . 2]" 1
2131 1 79 LEU HA 1 80 PHE HA 5.460 . 5.460 4.480 4.458 4.531 . 0 0 "[ . 1 . 2]" 1
2132 1 37 LYS HA 1 51 LYS QB 6.000 . 6.000 3.753 3.235 4.159 . 0 0 "[ . 1 . 2]" 1
2133 1 79 LEU HA 1 84 ARG QB 6.000 . 6.000 4.188 3.912 4.392 . 0 0 "[ . 1 . 2]" 1
2134 1 37 LYS HA 1 38 LEU HB2 5.240 . 5.240 4.535 4.412 4.582 . 0 0 "[ . 1 . 2]" 1
2135 1 39 LYS QE 1 49 HIS HA 6.000 . 6.000 5.971 5.517 6.129 0.129 16 0 "[ . 1 . 2]" 1
2136 1 48 ILE QG 1 49 HIS HA 6.000 . 6.000 5.962 5.930 5.990 . 0 0 "[ . 1 . 2]" 1
2137 1 39 LYS HG2 1 49 HIS HA 5.360 . 5.360 3.451 3.318 3.662 . 0 0 "[ . 1 . 2]" 1
2138 1 40 VAL MG2 1 49 HIS HA 5.870 . 5.870 5.885 5.838 5.941 0.071 4 0 "[ . 1 . 2]" 1
2139 1 62 LYS QG 1 64 SER QB 6.000 . 6.000 5.730 5.449 6.001 0.001 4 0 "[ . 1 . 2]" 1
2140 1 62 LYS QG 1 78 PHE HB2 5.470 . 5.470 4.385 2.985 5.698 0.228 3 0 "[ . 1 . 2]" 1
2141 1 62 LYS QG 1 85 ILE HB 5.260 . 5.260 4.062 3.055 5.241 . 0 0 "[ . 1 . 2]" 1
2142 1 18 GLN H 1 18 GLN QB 3.550 . 3.550 2.712 2.157 3.262 . 0 0 "[ . 1 . 2]" 1
2143 1 18 GLN QB 1 18 GLN QG 2.380 . 2.380 2.057 2.000 2.079 . 0 0 "[ . 1 . 2]" 1
2144 1 18 GLN QB 1 18 GLN HE21 3.510 . 3.510 2.539 1.696 3.340 0.104 7 0 "[ . 1 . 2]" 1
2145 1 18 GLN QB 1 18 GLN HE22 3.510 . 3.510 3.470 3.118 3.850 0.340 12 0 "[ . 1 . 2]" 1
2146 1 18 GLN QB 1 19 GLU H 3.660 . 3.660 3.075 2.077 3.903 0.243 14 0 "[ . 1 . 2]" 1
2147 1 20 ALA H 1 21 LYS QB 5.490 . 5.490 4.939 4.100 5.501 0.011 13 0 "[ . 1 . 2]" 1
2148 1 21 LYS H 1 21 LYS QB 3.620 . 3.620 3.081 2.454 3.332 . 0 0 "[ . 1 . 2]" 1
2149 1 21 LYS QB 1 22 PRO HD2 3.590 . 3.590 2.321 1.970 2.994 . 0 0 "[ . 1 . 2]" 1
2150 1 21 LYS QB 1 22 PRO HD3 3.780 . 3.780 3.356 2.916 3.635 . 0 0 "[ . 1 . 2]" 1
2151 1 25 GLU QG 1 27 LEU QD 4.760 . 4.760 3.644 2.507 4.829 0.069 11 0 "[ . 1 . 2]" 1
2152 1 26 ASP H 1 27 LEU QD 4.910 . 4.910 4.412 2.302 5.036 0.126 20 0 "[ . 1 . 2]" 1
2153 1 26 ASP QB 1 27 LEU QD 5.740 . 5.740 4.347 2.649 5.146 . 0 0 "[ . 1 . 2]" 1
2154 1 27 LEU H 1 27 LEU QD 3.240 . 3.240 2.925 1.777 3.282 0.042 8 0 "[ . 1 . 2]" 1
2155 1 27 LEU HA 1 27 LEU QD 4.120 . 4.120 2.707 1.952 3.422 . 0 0 "[ . 1 . 2]" 1
2156 1 27 LEU HB2 1 27 LEU QD 2.940 . 2.940 2.201 2.075 2.328 . 0 0 "[ . 1 . 2]" 1
2157 1 27 LEU QD 1 28 GLY H 3.830 . 3.830 3.442 2.258 4.199 0.369 15 0 "[ . 1 . 2]" 1
2158 1 27 LEU QD 1 28 GLY QA 5.070 . 5.070 3.967 2.482 4.826 . 0 0 "[ . 1 . 2]" 1
2159 1 27 LEU QD 1 29 ASP H 4.600 . 4.600 3.977 1.907 4.692 0.092 6 0 "[ . 1 . 2]" 1
2160 1 27 LEU QD 1 29 ASP QB 5.920 . 5.920 4.329 2.372 5.742 . 0 0 "[ . 1 . 2]" 1
2161 1 37 LYS QB 1 37 LYS QE 4.340 . 4.340 1.911 1.819 1.999 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 56
_Distance_constraint_stats_list.Viol_count 256
_Distance_constraint_stats_list.Viol_total 223.621
_Distance_constraint_stats_list.Viol_max 0.211
_Distance_constraint_stats_list.Viol_rms 0.0258
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0100
_Distance_constraint_stats_list.Viol_average_violations_only 0.0437
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 36 ILE 0.166 0.041 11 0 "[ . 1 . 2]"
1 37 LYS 2.456 0.211 8 0 "[ . 1 . 2]"
1 38 LEU 0.352 0.044 14 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.058 0.020 20 0 "[ . 1 . 2]"
1 41 ILE 1.480 0.152 3 0 "[ . 1 . 2]"
1 42 GLY 0.068 0.034 19 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 SER 0.068 0.034 19 0 "[ . 1 . 2]"
1 48 ILE 0.058 0.020 20 0 "[ . 1 . 2]"
1 50 PHE 0.352 0.044 14 0 "[ . 1 . 2]"
1 52 VAL 0.166 0.041 11 0 "[ . 1 . 2]"
1 58 LEU 0.072 0.033 11 0 "[ . 1 . 2]"
1 59 LYS 0.382 0.078 11 0 "[ . 1 . 2]"
1 60 LYS 0.381 0.082 11 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 1.331 0.095 10 0 "[ . 1 . 2]"
1 63 GLU 0.450 0.078 11 0 "[ . 1 . 2]"
1 64 SER 2.548 0.097 4 0 "[ . 1 . 2]"
1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 CYS 1.260 0.095 10 0 "[ . 1 . 2]"
1 67 GLN 0.068 0.041 20 0 "[ . 1 . 2]"
1 68 ARG 2.167 0.097 4 0 "[ . 1 . 2]"
1 75 SER 0.238 0.056 20 0 "[ . 1 . 2]"
1 77 ARG 0.986 0.101 14 0 "[ . 1 . 2]"
1 78 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 0.202 0.045 15 0 "[ . 1 . 2]"
1 80 PHE 0.844 0.093 20 0 "[ . 1 . 2]"
1 83 GLN 0.844 0.093 20 0 "[ . 1 . 2]"
1 85 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLU 2.456 0.211 8 0 "[ . 1 . 2]"
1 100 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ILE 0.372 0.047 3 0 "[ . 1 . 2]"
1 103 GLU 0.202 0.045 15 0 "[ . 1 . 2]"
1 104 VAL 1.108 0.152 3 0 "[ . 1 . 2]"
1 105 TYR 0.986 0.101 14 0 "[ . 1 . 2]"
1 107 GLU 0.238 0.056 20 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 58 LEU O 1 62 LYS H 2.220 . 2.220 1.885 1.767 1.974 0.033 11 0 "[ . 1 . 2]" 2
2 1 58 LEU O 1 62 LYS N 3.130 . 3.130 2.848 2.745 2.927 . 0 0 "[ . 1 . 2]" 2
3 1 59 LYS O 1 63 GLU H 2.220 . 2.220 2.147 1.931 2.269 0.049 11 0 "[ . 1 . 2]" 2
4 1 59 LYS O 1 63 GLU N 3.130 . 3.130 3.105 2.912 3.208 0.078 11 0 "[ . 1 . 2]" 2
5 1 60 LYS O 1 64 SER H 2.220 . 2.220 2.185 1.810 2.302 0.082 11 0 "[ . 1 . 2]" 2
6 1 60 LYS O 1 64 SER N 3.130 . 3.130 2.967 2.665 3.049 . 0 0 "[ . 1 . 2]" 2
7 1 61 LEU O 1 65 TYR H 2.220 . 2.220 2.025 1.956 2.085 . 0 0 "[ . 1 . 2]" 2
8 1 61 LEU O 1 65 TYR N 3.130 . 3.130 2.955 2.890 3.002 . 0 0 "[ . 1 . 2]" 2
9 1 62 LYS O 1 66 CYS H 2.220 . 2.220 2.231 2.083 2.315 0.095 10 0 "[ . 1 . 2]" 2
10 1 62 LYS O 1 66 CYS N 3.130 . 3.130 3.134 2.997 3.218 0.088 10 0 "[ . 1 . 2]" 2
11 1 63 GLU O 1 67 GLN H 2.220 . 2.220 2.094 1.956 2.242 0.022 20 0 "[ . 1 . 2]" 2
12 1 63 GLU O 1 67 GLN N 3.130 . 3.130 3.030 2.914 3.171 0.041 20 0 "[ . 1 . 2]" 2
13 1 64 SER O 1 68 ARG H 2.220 . 2.220 2.270 2.226 2.307 0.087 4 0 "[ . 1 . 2]" 2
14 1 64 SER O 1 68 ARG N 3.130 . 3.130 3.189 3.145 3.227 0.097 4 0 "[ . 1 . 2]" 2
15 1 36 ILE H 1 52 VAL O 2.120 . 2.120 1.828 1.759 2.001 0.041 11 0 "[ . 1 . 2]" 2
16 1 36 ILE N 1 52 VAL O 3.050 . 3.050 2.739 2.676 2.805 . 0 0 "[ . 1 . 2]" 2
17 1 36 ILE O 1 52 VAL H 2.120 . 2.120 2.059 1.922 2.135 0.015 14 0 "[ . 1 . 2]" 2
18 1 36 ILE O 1 52 VAL N 3.050 . 3.050 2.898 2.793 2.983 . 0 0 "[ . 1 . 2]" 2
19 1 38 LEU H 1 50 PHE O 2.120 . 2.120 1.977 1.800 2.124 0.004 14 0 "[ . 1 . 2]" 2
20 1 38 LEU N 1 50 PHE O 3.050 . 3.050 2.943 2.781 3.055 0.005 14 0 "[ . 1 . 2]" 2
21 1 38 LEU O 1 50 PHE H 2.120 . 2.120 2.075 1.971 2.132 0.012 19 0 "[ . 1 . 2]" 2
22 1 38 LEU O 1 50 PHE N 3.050 . 3.050 3.044 2.953 3.094 0.044 14 0 "[ . 1 . 2]" 2
23 1 40 VAL H 1 48 ILE O 2.120 . 2.120 1.881 1.841 1.918 . 0 0 "[ . 1 . 2]" 2
24 1 40 VAL N 1 48 ILE O 3.050 . 3.050 2.840 2.797 2.875 . 0 0 "[ . 1 . 2]" 2
25 1 40 VAL O 1 48 ILE H 2.120 . 2.120 2.075 1.933 2.140 0.020 20 0 "[ . 1 . 2]" 2
26 1 40 VAL O 1 48 ILE N 3.050 . 3.050 2.969 2.848 3.039 . 0 0 "[ . 1 . 2]" 2
27 1 42 GLY H 1 46 SER O 2.120 . 2.120 2.021 1.840 2.154 0.034 19 0 "[ . 1 . 2]" 2
28 1 42 GLY N 1 46 SER O 3.050 . 3.050 2.853 2.799 2.958 . 0 0 "[ . 1 . 2]" 2
29 1 42 GLY O 1 45 SER H 2.120 . 2.120 1.924 1.810 2.108 . 0 0 "[ . 1 . 2]" 2
30 1 42 GLY O 1 45 SER N 3.050 . 3.050 2.787 2.690 2.974 . 0 0 "[ . 1 . 2]" 2
31 1 37 LYS O 1 99 GLU H 2.120 . 2.120 1.677 1.589 1.796 0.211 8 0 "[ . 1 . 2]" 2
32 1 37 LYS O 1 99 GLU N 3.050 . 3.050 2.572 2.527 2.626 . 0 0 "[ . 1 . 2]" 2
33 1 39 LYS H 1 100 ASP O 2.120 . 2.120 2.014 1.853 2.106 . 0 0 "[ . 1 . 2]" 2
34 1 39 LYS N 1 100 ASP O 3.050 . 3.050 2.933 2.782 3.011 . 0 0 "[ . 1 . 2]" 2
35 1 39 LYS O 1 102 ILE H 2.120 . 2.120 1.872 1.823 1.930 . 0 0 "[ . 1 . 2]" 2
36 1 39 LYS O 1 102 ILE N 3.050 . 3.050 2.811 2.769 2.861 . 0 0 "[ . 1 . 2]" 2
37 1 41 ILE H 1 102 ILE O 2.120 . 2.120 2.104 1.983 2.157 0.037 3 0 "[ . 1 . 2]" 2
38 1 41 ILE N 1 102 ILE O 3.050 . 3.050 3.034 2.926 3.097 0.047 3 0 "[ . 1 . 2]" 2
39 1 41 ILE O 1 104 VAL H 2.120 . 2.120 2.167 2.039 2.272 0.152 3 0 "[ . 1 . 2]" 2
40 1 41 ILE O 1 104 VAL N 3.050 . 3.050 2.932 2.815 3.091 0.041 6 0 "[ . 1 . 2]" 2
41 1 80 PHE O 1 83 GLN H 2.120 . 2.120 1.891 1.841 1.934 . 0 0 "[ . 1 . 2]" 2
42 1 80 PHE O 1 83 GLN N 3.050 . 3.050 2.723 2.671 2.757 . 0 0 "[ . 1 . 2]" 2
43 1 80 PHE H 1 83 GLN O 2.120 . 2.120 1.758 1.707 1.801 0.093 20 0 "[ . 1 . 2]" 2
44 1 80 PHE N 1 83 GLN O 3.050 . 3.050 2.704 2.658 2.746 . 0 0 "[ . 1 . 2]" 2
45 1 78 PHE O 1 85 ILE H 2.120 . 2.120 1.963 1.836 2.094 . 0 0 "[ . 1 . 2]" 2
46 1 78 PHE O 1 85 ILE N 3.050 . 3.050 2.914 2.814 3.037 . 0 0 "[ . 1 . 2]" 2
47 1 75 SER O 1 107 GLU H 2.120 . 2.120 1.804 1.744 1.876 0.056 20 0 "[ . 1 . 2]" 2
48 1 75 SER O 1 107 GLU N 3.050 . 3.050 2.760 2.713 2.843 . 0 0 "[ . 1 . 2]" 2
49 1 77 ARG O 1 105 TYR H 2.120 . 2.120 1.877 1.809 1.950 . 0 0 "[ . 1 . 2]" 2
50 1 77 ARG O 1 105 TYR N 3.050 . 3.050 2.813 2.757 2.864 . 0 0 "[ . 1 . 2]" 2
51 1 77 ARG H 1 105 TYR O 2.120 . 2.120 1.751 1.699 1.780 0.101 14 0 "[ . 1 . 2]" 2
52 1 77 ARG N 1 105 TYR O 3.050 . 3.050 2.707 2.652 2.737 . 0 0 "[ . 1 . 2]" 2
53 1 79 LEU H 1 103 GLU O 2.120 . 2.120 1.970 1.892 2.060 . 0 0 "[ . 1 . 2]" 2
54 1 79 LEU N 1 103 GLU O 3.050 . 3.050 2.955 2.877 3.044 . 0 0 "[ . 1 . 2]" 2
55 1 79 LEU O 1 103 GLU H 2.120 . 2.120 2.091 1.979 2.165 0.045 15 0 "[ . 1 . 2]" 2
56 1 79 LEU O 1 103 GLU N 3.050 . 3.050 2.995 2.902 3.072 0.022 15 0 "[ . 1 . 2]" 2
stop_
save_
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