NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452011 |
2rq5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rq5
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 1744
_Distance_constraint_stats_list.Viol_count 1852
_Distance_constraint_stats_list.Viol_total 825.064
_Distance_constraint_stats_list.Viol_max 0.185
_Distance_constraint_stats_list.Viol_rms 0.0082
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0223
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.003 0.003 5 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.031 0.005 7 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.036 0.011 2 0 "[ . 1 . 2]"
1 8 ARG 2.893 0.162 20 0 "[ . 1 . 2]"
1 9 ARG 2.339 0.162 20 0 "[ . 1 . 2]"
1 10 TRP 0.569 0.040 7 0 "[ . 1 . 2]"
1 11 GLY 0.231 0.019 18 0 "[ . 1 . 2]"
1 12 PRO 0.083 0.015 5 0 "[ . 1 . 2]"
1 13 ASN 0.090 0.015 5 0 "[ . 1 . 2]"
1 14 VAL 0.343 0.027 6 0 "[ . 1 . 2]"
1 15 GLN 0.340 0.040 7 0 "[ . 1 . 2]"
1 16 ARG 0.034 0.022 5 0 "[ . 1 . 2]"
1 17 LEU 0.025 0.007 15 0 "[ . 1 . 2]"
1 18 ALA 0.202 0.020 9 0 "[ . 1 . 2]"
1 19 CYS 0.103 0.012 6 0 "[ . 1 . 2]"
1 20 ILE 0.058 0.012 5 0 "[ . 1 . 2]"
1 21 LYS 0.141 0.014 15 0 "[ . 1 . 2]"
1 22 LYS 0.166 0.015 2 0 "[ . 1 . 2]"
1 23 HIS 0.032 0.015 10 0 "[ . 1 . 2]"
1 24 LEU 0.082 0.019 17 0 "[ . 1 . 2]"
1 25 ARG 0.123 0.011 1 0 "[ . 1 . 2]"
1 26 SER 0.032 0.012 13 0 "[ . 1 . 2]"
1 27 GLN 0.061 0.012 13 0 "[ . 1 . 2]"
1 28 GLY 1.693 0.097 13 0 "[ . 1 . 2]"
1 29 ILE 2.527 0.097 13 0 "[ . 1 . 2]"
1 30 THR 0.288 0.039 12 0 "[ . 1 . 2]"
1 31 MET 0.626 0.039 12 0 "[ . 1 . 2]"
1 32 ASP 0.217 0.026 5 0 "[ . 1 . 2]"
1 33 GLU 0.105 0.026 17 0 "[ . 1 . 2]"
1 34 LEU 0.072 0.012 17 0 "[ . 1 . 2]"
1 35 PRO 0.033 0.015 17 0 "[ . 1 . 2]"
1 36 LEU 2.283 0.050 7 0 "[ . 1 . 2]"
1 37 ILE 1.038 0.041 2 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 0.387 0.023 6 0 "[ . 1 . 2]"
1 40 CYS 2.026 0.050 7 0 "[ . 1 . 2]"
1 41 GLU 0.397 0.020 7 0 "[ . 1 . 2]"
1 42 LEU 1.580 0.041 2 0 "[ . 1 . 2]"
1 43 ASP 0.000 0.000 2 0 "[ . 1 . 2]"
1 44 LEU 0.278 0.027 20 0 "[ . 1 . 2]"
1 45 ALA 0.082 0.027 20 0 "[ . 1 . 2]"
1 46 CYS 0.049 0.012 19 0 "[ . 1 . 2]"
1 47 PHE 0.018 0.018 15 0 "[ . 1 . 2]"
1 48 PHE 0.003 0.002 19 0 "[ . 1 . 2]"
1 49 ARG 0.011 0.007 15 0 "[ . 1 . 2]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ILE 1.765 0.053 11 0 "[ . 1 . 2]"
1 52 ASN 0.008 0.008 7 0 "[ . 1 . 2]"
1 53 GLU 0.061 0.024 13 0 "[ . 1 . 2]"
1 54 MET 0.143 0.027 10 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.008 0.008 7 0 "[ . 1 . 2]"
1 57 MET 1.441 0.048 19 0 "[ . 1 . 2]"
1 58 GLN 0.407 0.039 14 0 "[ . 1 . 2]"
1 59 GLN 0.246 0.027 20 0 "[ . 1 . 2]"
1 60 VAL 2.183 0.090 9 0 "[ . 1 . 2]"
1 61 THR 1.009 0.052 10 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LYS 0.632 0.057 12 0 "[ . 1 . 2]"
1 65 LYS 0.057 0.027 10 0 "[ . 1 . 2]"
1 66 TRP 11.402 0.185 16 0 "[ . 1 . 2]"
1 67 ASN 0.632 0.057 12 0 "[ . 1 . 2]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 9.918 0.152 14 0 "[ . 1 . 2]"
1 70 ALA 1.177 0.077 16 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.691 0.036 12 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.873 0.036 12 0 "[ . 1 . 2]"
1 76 PRO 0.416 0.033 11 0 "[ . 1 . 2]"
1 77 LYS 0.265 0.066 11 0 "[ . 1 . 2]"
1 78 THR 0.083 0.027 18 0 "[ . 1 . 2]"
1 79 ALA 0.735 0.038 18 0 "[ . 1 . 2]"
1 80 GLN 0.532 0.068 11 0 "[ . 1 . 2]"
1 81 ASP 0.076 0.018 16 0 "[ . 1 . 2]"
1 82 ARG 0.820 0.068 11 0 "[ . 1 . 2]"
1 83 LEU 0.843 0.077 16 0 "[ . 1 . 2]"
1 84 ALA 0.129 0.015 11 0 "[ . 1 . 2]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LEU 6.340 0.152 14 0 "[ . 1 . 2]"
1 87 GLN 0.043 0.008 19 0 "[ . 1 . 2]"
1 88 GLU 0.077 0.015 11 0 "[ . 1 . 2]"
1 89 ALA 0.943 0.042 16 0 "[ . 1 . 2]"
1 90 TYR 1.115 0.037 12 0 "[ . 1 . 2]"
1 91 CYS 0.495 0.045 7 0 "[ . 1 . 2]"
1 92 GLN 0.354 0.030 7 0 "[ . 1 . 2]"
1 93 TYR 0.202 0.017 19 0 "[ . 1 . 2]"
1 94 LEU 0.035 0.015 9 0 "[ . 1 . 2]"
1 95 LEU 1.109 0.042 16 0 "[ . 1 . 2]"
1 96 SER 0.590 0.042 16 0 "[ . 1 . 2]"
1 97 TYR 0.047 0.015 10 0 "[ . 1 . 2]"
1 98 ASP 0.014 0.008 14 0 "[ . 1 . 2]"
1 99 SER 0.132 0.027 1 0 "[ . 1 . 2]"
1 100 LEU 0.863 0.047 1 0 "[ . 1 . 2]"
1 101 SER 0.179 0.047 1 0 "[ . 1 . 2]"
1 102 PRO 0.003 0.003 4 0 "[ . 1 . 2]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLU 0.356 0.056 6 0 "[ . 1 . 2]"
1 105 HIS 0.064 0.019 8 0 "[ . 1 . 2]"
1 106 ARG 0.006 0.003 18 0 "[ . 1 . 2]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LEU 0.506 0.029 9 0 "[ . 1 . 2]"
1 109 GLU 0.188 0.012 6 0 "[ . 1 . 2]"
1 110 LYS 0.530 0.030 2 0 "[ . 1 . 2]"
1 111 GLU 0.685 0.030 2 0 "[ . 1 . 2]"
1 112 VAL 0.351 0.020 7 0 "[ . 1 . 2]"
1 113 LEU 1.561 0.084 20 0 "[ . 1 . 2]"
1 114 MET 0.475 0.027 2 0 "[ . 1 . 2]"
1 115 GLU 1.434 0.084 20 0 "[ . 1 . 2]"
1 116 LYS 0.036 0.020 9 0 "[ . 1 . 2]"
1 117 GLU 0.115 0.020 3 0 "[ . 1 . 2]"
1 118 ILE 0.217 0.019 18 0 "[ . 1 . 2]"
1 119 LEU 0.030 0.010 8 0 "[ . 1 . 2]"
1 120 GLU 0.060 0.010 8 0 "[ . 1 . 2]"
1 121 LYS 0.043 0.008 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 61 THR HA 1 66 TRP HE1 3.610 . 3.610 2.595 2.437 2.755 . 0 0 "[ . 1 . 2]" 1
2 1 40 CYS HA 1 41 GLU H 2.610 . 2.610 2.381 2.352 2.399 . 0 0 "[ . 1 . 2]" 1
3 1 40 CYS HB3 1 41 GLU H 4.320 . 4.320 2.524 2.426 2.670 . 0 0 "[ . 1 . 2]" 1
4 1 41 GLU H 1 41 GLU HB2 3.160 . 3.160 2.139 2.110 2.175 . 0 0 "[ . 1 . 2]" 1
5 1 36 LEU MD1 1 41 GLU H 3.590 . 3.590 2.733 2.690 2.802 . 0 0 "[ . 1 . 2]" 1
6 1 53 GLU H 1 53 GLU QB 3.850 . 3.850 2.285 2.231 2.517 . 0 0 "[ . 1 . 2]" 1
7 1 21 LYS H 1 22 LYS H 3.860 . 3.860 2.698 2.601 2.768 . 0 0 "[ . 1 . 2]" 1
8 1 14 VAL HB 1 15 GLN H 3.530 . 3.530 2.612 2.477 2.736 . 0 0 "[ . 1 . 2]" 1
9 1 15 GLN H 1 15 GLN QB 3.740 . 3.740 2.232 2.160 2.259 . 0 0 "[ . 1 . 2]" 1
10 1 15 GLN H 1 18 ALA MB 5.130 . 5.130 4.453 4.249 4.753 . 0 0 "[ . 1 . 2]" 1
11 1 18 ALA MB 1 22 LYS H 5.500 . 5.500 4.614 4.381 4.851 . 0 0 "[ . 1 . 2]" 1
12 1 22 LYS H 1 22 LYS QG 3.700 . 3.700 3.652 3.310 3.715 0.015 2 0 "[ . 1 . 2]" 1
13 1 14 VAL MG2 1 15 GLN H 3.830 . 3.830 3.746 3.651 3.799 . 0 0 "[ . 1 . 2]" 1
14 1 15 GLN QB 1 16 ARG H 3.550 . 3.550 2.539 2.346 2.701 . 0 0 "[ . 1 . 2]" 1
15 1 59 GLN QB 1 60 VAL H 3.930 . 3.930 2.484 2.286 2.700 . 0 0 "[ . 1 . 2]" 1
16 1 16 ARG H 1 17 LEU HB2 5.470 . 5.470 4.942 4.696 5.159 . 0 0 "[ . 1 . 2]" 1
17 1 16 ARG H 1 18 ALA MB 5.500 . 5.500 4.640 4.420 4.934 . 0 0 "[ . 1 . 2]" 1
18 1 60 VAL H 1 60 VAL HB 3.670 . 3.670 2.620 2.572 2.684 . 0 0 "[ . 1 . 2]" 1
19 1 58 GLN H 1 58 GLN QB 3.710 . 3.710 2.543 2.194 2.717 . 0 0 "[ . 1 . 2]" 1
20 1 70 ALA H 1 70 ALA MB 3.530 . 3.530 2.212 2.146 2.247 . 0 0 "[ . 1 . 2]" 1
21 1 114 MET HA 1 117 GLU H 3.900 . 3.900 3.220 3.114 3.361 . 0 0 "[ . 1 . 2]" 1
22 1 59 GLN H 1 60 VAL H 3.870 . 3.870 2.742 2.635 2.795 . 0 0 "[ . 1 . 2]" 1
23 1 66 TRP H 1 66 TRP HD1 3.910 . 3.910 2.901 2.541 2.971 . 0 0 "[ . 1 . 2]" 1
24 1 59 GLN H 1 59 GLN QB 3.450 . 3.450 2.145 2.046 2.537 . 0 0 "[ . 1 . 2]" 1
25 1 73 LEU H 1 73 LEU HG 4.250 . 4.250 4.083 3.964 4.155 . 0 0 "[ . 1 . 2]" 1
26 1 73 LEU H 1 73 LEU MD2 3.630 . 3.630 2.537 2.278 2.667 . 0 0 "[ . 1 . 2]" 1
27 1 51 ILE H 1 51 ILE HB 3.790 . 3.790 2.587 2.473 2.674 . 0 0 "[ . 1 . 2]" 1
28 1 51 ILE H 1 51 ILE HG13 4.620 . 4.620 2.092 1.958 2.287 . 0 0 "[ . 1 . 2]" 1
29 1 70 ALA H 1 71 ASP H 3.640 . 3.640 2.502 2.467 2.563 . 0 0 "[ . 1 . 2]" 1
30 1 71 ASP H 1 72 MET H 4.000 . 4.000 2.833 2.812 2.869 . 0 0 "[ . 1 . 2]" 1
31 1 71 ASP H 1 71 ASP HB3 3.770 . 3.770 3.068 2.668 3.559 . 0 0 "[ . 1 . 2]" 1
32 1 71 ASP H 1 71 ASP HB2 3.770 . 3.770 2.184 2.070 2.409 . 0 0 "[ . 1 . 2]" 1
33 1 70 ALA MB 1 71 ASP H 3.740 . 3.740 2.708 2.656 2.783 . 0 0 "[ . 1 . 2]" 1
34 1 63 LEU H 1 64 LYS H 3.840 . 3.840 2.689 2.636 2.709 . 0 0 "[ . 1 . 2]" 1
35 1 64 LYS H 1 65 LYS H 4.280 . 4.280 3.356 3.287 3.400 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLY QA 1 5 SER H 2.940 . 2.940 2.392 2.109 2.844 . 0 0 "[ . 1 . 2]" 1
37 1 53 GLU QB 1 54 MET H 3.920 . 3.920 3.162 2.584 3.791 . 0 0 "[ . 1 . 2]" 1
38 1 13 ASN QB 1 13 ASN HD22 3.650 . 3.650 3.277 3.231 3.427 . 0 0 "[ . 1 . 2]" 1
39 1 61 THR H 1 61 THR HB 3.950 . 3.950 2.565 2.473 2.674 . 0 0 "[ . 1 . 2]" 1
40 1 27 GLN HA 1 27 GLN HE21 3.950 . 3.950 2.460 1.927 3.139 . 0 0 "[ . 1 . 2]" 1
41 1 27 GLN HA 1 27 GLN HE22 3.950 . 3.950 3.359 2.962 3.731 . 0 0 "[ . 1 . 2]" 1
42 1 27 GLN HE22 1 27 GLN QG 3.600 . 3.600 3.350 3.234 3.460 . 0 0 "[ . 1 . 2]" 1
43 1 80 GLN HE22 1 80 GLN QG 3.480 . 3.480 3.269 3.217 3.415 . 0 0 "[ . 1 . 2]" 1
44 1 72 MET HA 1 74 ARG H 4.310 . 4.310 3.505 3.472 3.559 . 0 0 "[ . 1 . 2]" 1
45 1 74 ARG H 1 74 ARG QG 3.450 . 3.450 2.974 2.649 3.375 . 0 0 "[ . 1 . 2]" 1
46 1 98 ASP H 1 99 SER H 3.860 . 3.860 2.445 2.326 2.695 . 0 0 "[ . 1 . 2]" 1
47 1 99 SER H 1 100 LEU H 3.390 . 3.390 2.221 1.946 2.508 . 0 0 "[ . 1 . 2]" 1
48 1 99 SER H 1 99 SER QB 3.310 . 3.310 2.361 2.104 2.812 . 0 0 "[ . 1 . 2]" 1
49 1 15 GLN HE22 1 15 GLN QG 3.400 . 3.400 3.241 3.224 3.285 . 0 0 "[ . 1 . 2]" 1
50 1 52 ASN HA 1 56 GLY H 3.960 . 3.960 2.903 2.104 3.968 0.008 7 0 "[ . 1 . 2]" 1
51 1 76 PRO HA 1 78 THR H 4.330 . 4.330 3.529 3.448 3.613 . 0 0 "[ . 1 . 2]" 1
52 1 76 PRO HB2 1 78 THR H 3.980 . 3.980 2.900 2.690 3.101 . 0 0 "[ . 1 . 2]" 1
53 1 78 THR H 1 78 THR MG 3.310 . 3.310 2.860 2.464 3.134 . 0 0 "[ . 1 . 2]" 1
54 1 28 GLY H 1 29 ILE H 3.300 . 3.300 2.153 2.078 2.271 . 0 0 "[ . 1 . 2]" 1
55 1 27 GLN HB3 1 28 GLY H 4.390 . 4.390 3.739 3.416 4.031 . 0 0 "[ . 1 . 2]" 1
56 1 7 GLY H 1 8 ARG H 3.520 . 3.520 3.006 2.423 3.524 0.004 2 0 "[ . 1 . 2]" 1
57 1 6 LEU HA 1 7 GLY H 2.800 . 2.800 2.545 2.338 2.720 . 0 0 "[ . 1 . 2]" 1
58 1 7 GLY H 1 7 GLY QA 2.530 . 2.530 2.384 2.196 2.501 . 0 0 "[ . 1 . 2]" 1
59 1 6 LEU HB2 1 7 GLY H 3.580 . 3.580 3.181 2.808 3.577 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU HB3 1 7 GLY H 3.520 . 3.520 2.236 1.996 2.629 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU MD2 1 7 GLY H 3.960 . 3.960 3.591 3.221 3.817 . 0 0 "[ . 1 . 2]" 1
62 1 3 LEU HA 1 4 GLY H 2.790 . 2.790 2.479 2.275 2.651 . 0 0 "[ . 1 . 2]" 1
63 1 4 GLY H 1 4 GLY QA 2.740 . 2.740 2.342 2.214 2.494 . 0 0 "[ . 1 . 2]" 1
64 1 3 LEU HB2 1 4 GLY H 3.790 . 3.790 3.363 2.130 3.764 . 0 0 "[ . 1 . 2]" 1
65 1 3 LEU HB3 1 4 GLY H 3.790 . 3.790 2.419 1.996 3.636 . 0 0 "[ . 1 . 2]" 1
66 1 10 TRP HA 1 11 GLY H 3.480 . 3.480 3.312 2.516 3.448 . 0 0 "[ . 1 . 2]" 1
67 1 11 GLY H 1 14 VAL HB 3.920 . 3.920 3.815 3.484 3.906 . 0 0 "[ . 1 . 2]" 1
68 1 11 GLY H 1 14 VAL MG2 4.210 . 4.210 4.015 2.437 4.224 0.014 3 0 "[ . 1 . 2]" 1
69 1 92 GLN H 1 93 TYR H 3.710 . 3.710 2.313 2.267 2.372 . 0 0 "[ . 1 . 2]" 1
70 1 93 TYR H 1 94 LEU H 3.690 . 3.690 2.705 2.627 2.760 . 0 0 "[ . 1 . 2]" 1
71 1 93 TYR H 1 93 TYR QD 3.670 . 3.670 2.707 2.563 2.841 . 0 0 "[ . 1 . 2]" 1
72 1 92 GLN HB3 1 93 TYR H 4.280 . 4.280 3.552 3.395 3.726 . 0 0 "[ . 1 . 2]" 1
73 1 92 GLN HB2 1 93 TYR H 4.280 . 4.280 4.150 3.581 4.271 . 0 0 "[ . 1 . 2]" 1
74 1 96 SER H 1 96 SER QB 3.740 . 3.740 2.427 2.072 2.850 . 0 0 "[ . 1 . 2]" 1
75 1 82 ARG H 1 82 ARG QG 4.110 . 4.110 3.171 2.164 4.015 . 0 0 "[ . 1 . 2]" 1
76 1 85 LYS H 1 86 LEU H 3.930 . 3.930 2.614 2.574 2.702 . 0 0 "[ . 1 . 2]" 1
77 1 83 LEU H 1 83 LEU HB2 3.940 . 3.940 2.302 2.206 2.612 . 0 0 "[ . 1 . 2]" 1
78 1 94 LEU H 1 94 LEU HB2 4.100 . 4.100 2.256 2.047 2.695 . 0 0 "[ . 1 . 2]" 1
79 1 83 LEU H 1 83 LEU HB3 3.940 . 3.940 3.545 3.504 3.605 . 0 0 "[ . 1 . 2]" 1
80 1 83 LEU H 1 83 LEU MD1 3.840 . 3.840 3.507 2.449 3.844 0.004 10 0 "[ . 1 . 2]" 1
81 1 83 LEU H 1 83 LEU MD2 3.640 . 3.640 1.993 1.849 2.162 . 0 0 "[ . 1 . 2]" 1
82 1 103 GLU H 1 104 GLU H 3.580 . 3.580 2.803 2.653 2.929 . 0 0 "[ . 1 . 2]" 1
83 1 66 TRP H 1 67 ASN H 3.570 . 3.570 2.614 2.577 2.663 . 0 0 "[ . 1 . 2]" 1
84 1 67 ASN H 1 68 LYS H 3.620 . 3.620 2.832 2.802 2.856 . 0 0 "[ . 1 . 2]" 1
85 1 67 ASN H 1 67 ASN HB3 3.680 . 3.680 3.511 2.632 3.591 . 0 0 "[ . 1 . 2]" 1
86 1 103 GLU H 1 103 GLU HG3 4.380 . 4.380 3.076 2.126 3.709 . 0 0 "[ . 1 . 2]" 1
87 1 103 GLU H 1 103 GLU HG2 4.380 . 4.380 2.892 1.945 4.134 . 0 0 "[ . 1 . 2]" 1
88 1 102 PRO HG2 1 103 GLU H 3.210 . 3.210 2.740 2.380 3.090 . 0 0 "[ . 1 . 2]" 1
89 1 103 GLU H 1 103 GLU QB 3.120 . 3.120 2.396 2.099 2.669 . 0 0 "[ . 1 . 2]" 1
90 1 67 ASN H 1 83 LEU MD1 4.700 . 4.700 3.332 2.728 4.394 . 0 0 "[ . 1 . 2]" 1
91 1 25 ARG H 1 26 SER H 3.570 . 3.570 2.658 2.598 2.695 . 0 0 "[ . 1 . 2]" 1
92 1 26 SER H 1 26 SER QB 3.050 . 3.050 2.228 2.066 2.568 . 0 0 "[ . 1 . 2]" 1
93 1 25 ARG QB 1 26 SER H 3.620 . 3.620 3.386 3.327 3.448 . 0 0 "[ . 1 . 2]" 1
94 1 33 GLU H 1 34 LEU H 3.670 . 3.670 3.090 2.972 3.226 . 0 0 "[ . 1 . 2]" 1
95 1 31 MET HA 1 33 GLU H 4.020 . 4.020 3.516 3.296 4.022 0.002 14 0 "[ . 1 . 2]" 1
96 1 32 ASP HB2 1 33 GLU H 3.930 . 3.930 3.212 2.683 3.753 . 0 0 "[ . 1 . 2]" 1
97 1 32 ASP HB3 1 33 GLU H 3.930 . 3.930 3.235 2.417 3.764 . 0 0 "[ . 1 . 2]" 1
98 1 33 GLU H 1 33 GLU QG 3.130 . 3.130 2.511 1.941 2.931 . 0 0 "[ . 1 . 2]" 1
99 1 33 GLU H 1 33 GLU HB3 3.800 . 3.800 3.497 2.868 3.598 . 0 0 "[ . 1 . 2]" 1
100 1 33 GLU H 1 33 GLU HB2 3.800 . 3.800 2.477 2.223 3.565 . 0 0 "[ . 1 . 2]" 1
101 1 91 CYS H 1 92 GLN H 3.640 . 3.640 2.601 2.522 2.692 . 0 0 "[ . 1 . 2]" 1
102 1 89 ALA HA 1 92 GLN H 3.840 . 3.840 3.854 3.842 3.870 0.030 7 0 "[ . 1 . 2]" 1
103 1 91 CYS HB3 1 92 GLN H 4.290 . 4.290 3.134 2.859 3.605 . 0 0 "[ . 1 . 2]" 1
104 1 91 CYS HB2 1 92 GLN H 4.290 . 4.290 3.559 2.993 4.028 . 0 0 "[ . 1 . 2]" 1
105 1 92 GLN H 1 92 GLN HG2 4.670 . 4.670 4.458 3.827 4.542 . 0 0 "[ . 1 . 2]" 1
106 1 92 GLN H 1 92 GLN HB3 3.410 . 3.410 2.802 2.612 3.354 . 0 0 "[ . 1 . 2]" 1
107 1 92 GLN H 1 92 GLN HB2 3.410 . 3.410 2.533 2.183 2.663 . 0 0 "[ . 1 . 2]" 1
108 1 37 ILE HA 1 38 GLY H 3.400 . 3.400 2.192 2.179 2.203 . 0 0 "[ . 1 . 2]" 1
109 1 37 ILE MG 1 38 GLY H 4.260 . 4.260 3.837 3.773 3.897 . 0 0 "[ . 1 . 2]" 1
110 1 20 ILE H 1 21 LYS H 3.950 . 3.950 2.668 2.579 2.805 . 0 0 "[ . 1 . 2]" 1
111 1 18 ALA HA 1 21 LYS H 4.200 . 4.200 3.597 3.463 3.913 . 0 0 "[ . 1 . 2]" 1
112 1 21 LYS H 1 21 LYS QB 3.460 . 3.460 2.296 2.230 2.605 . 0 0 "[ . 1 . 2]" 1
113 1 21 LYS H 1 21 LYS QD 4.750 . 4.750 4.479 3.700 4.703 . 0 0 "[ . 1 . 2]" 1
114 1 21 LYS H 1 31 MET ME 4.920 . 4.920 3.997 3.105 4.669 . 0 0 "[ . 1 . 2]" 1
115 1 109 GLU H 1 111 GLU H 4.470 . 4.470 3.953 3.838 4.038 . 0 0 "[ . 1 . 2]" 1
116 1 109 GLU H 1 110 LYS H 3.520 . 3.520 2.721 2.672 2.774 . 0 0 "[ . 1 . 2]" 1
117 1 109 GLU H 1 109 GLU HG3 4.490 . 4.490 4.452 4.436 4.467 . 0 0 "[ . 1 . 2]" 1
118 1 109 GLU H 1 109 GLU HB3 3.300 . 3.300 2.475 2.450 2.496 . 0 0 "[ . 1 . 2]" 1
119 1 108 LEU HB2 1 109 GLU H 3.900 . 3.900 2.656 2.573 2.766 . 0 0 "[ . 1 . 2]" 1
120 1 109 GLU H 1 109 GLU HB2 3.360 . 3.360 2.595 2.563 2.624 . 0 0 "[ . 1 . 2]" 1
121 1 108 LEU HB3 1 109 GLU H 3.900 . 3.900 3.610 3.457 3.770 . 0 0 "[ . 1 . 2]" 1
122 1 108 LEU MD1 1 109 GLU H 4.440 . 4.440 4.421 4.364 4.452 0.012 6 0 "[ . 1 . 2]" 1
123 1 101 SER H 1 104 GLU QG 3.910 . 3.910 3.007 2.424 3.909 . 0 0 "[ . 1 . 2]" 1
124 1 100 LEU MD2 1 101 SER H 3.770 . 3.770 3.161 2.845 3.531 . 0 0 "[ . 1 . 2]" 1
125 1 18 ALA H 1 19 CYS H 3.630 . 3.630 2.649 2.560 2.779 . 0 0 "[ . 1 . 2]" 1
126 1 114 MET H 1 114 MET HG2 3.530 . 3.530 2.446 2.351 2.525 . 0 0 "[ . 1 . 2]" 1
127 1 114 MET H 1 114 MET QB 2.950 . 2.950 2.414 2.379 2.444 . 0 0 "[ . 1 . 2]" 1
128 1 113 LEU HB2 1 114 MET H 3.680 . 3.680 3.014 2.873 3.218 . 0 0 "[ . 1 . 2]" 1
129 1 18 ALA MB 1 19 CYS H 3.400 . 3.400 2.402 2.291 2.579 . 0 0 "[ . 1 . 2]" 1
130 1 113 LEU HB3 1 114 MET H 3.890 . 3.890 3.100 2.913 3.362 . 0 0 "[ . 1 . 2]" 1
131 1 110 LYS H 1 111 GLU H 3.420 . 3.420 2.811 2.751 2.836 . 0 0 "[ . 1 . 2]" 1
132 1 109 GLU HG2 1 110 LYS H 3.480 . 3.480 3.408 3.360 3.469 . 0 0 "[ . 1 . 2]" 1
133 1 110 LYS H 1 110 LYS QB 2.770 . 2.770 2.379 2.306 2.463 . 0 0 "[ . 1 . 2]" 1
134 1 110 LYS H 1 110 LYS QD 4.360 . 4.360 4.315 4.184 4.383 0.023 17 0 "[ . 1 . 2]" 1
135 1 110 LYS H 1 110 LYS HG3 3.860 . 3.860 3.148 2.919 3.344 . 0 0 "[ . 1 . 2]" 1
136 1 110 LYS H 1 110 LYS HG2 3.860 . 3.860 2.599 2.229 3.008 . 0 0 "[ . 1 . 2]" 1
137 1 90 TYR H 1 90 TYR HB2 4.080 . 4.080 3.607 3.596 3.615 . 0 0 "[ . 1 . 2]" 1
138 1 89 ALA MB 1 90 TYR H 3.790 . 3.790 2.625 2.556 2.687 . 0 0 "[ . 1 . 2]" 1
139 1 105 HIS H 1 106 ARG H 3.650 . 3.650 2.606 2.581 2.672 . 0 0 "[ . 1 . 2]" 1
140 1 16 ARG H 1 17 LEU H 3.850 . 3.850 2.705 2.528 2.829 . 0 0 "[ . 1 . 2]" 1
141 1 17 LEU H 1 18 ALA H 3.650 . 3.650 2.618 2.548 2.712 . 0 0 "[ . 1 . 2]" 1
142 1 106 ARG H 1 107 ARG H 3.920 . 3.920 2.724 2.631 2.814 . 0 0 "[ . 1 . 2]" 1
143 1 14 VAL HA 1 17 LEU H 3.880 . 3.880 3.507 3.213 3.674 . 0 0 "[ . 1 . 2]" 1
144 1 91 CYS H 1 91 CYS HB3 3.760 . 3.760 3.003 2.527 3.521 . 0 0 "[ . 1 . 2]" 1
145 1 91 CYS H 1 91 CYS HB2 3.760 . 3.760 2.315 2.165 2.524 . 0 0 "[ . 1 . 2]" 1
146 1 106 ARG H 1 106 ARG QB 3.230 . 3.230 2.227 2.042 2.524 . 0 0 "[ . 1 . 2]" 1
147 1 106 ARG H 1 106 ARG QG 4.110 . 4.110 3.261 2.119 4.045 . 0 0 "[ . 1 . 2]" 1
148 1 17 LEU H 1 17 LEU HB2 3.460 . 3.460 2.376 2.203 2.533 . 0 0 "[ . 1 . 2]" 1
149 1 17 LEU H 1 45 ALA MB 3.720 . 3.720 2.759 2.265 2.943 . 0 0 "[ . 1 . 2]" 1
150 1 112 VAL H 1 112 VAL HB 3.350 . 3.350 2.662 2.623 2.709 . 0 0 "[ . 1 . 2]" 1
151 1 111 GLU HB2 1 112 VAL H 3.870 . 3.870 2.592 2.441 2.658 . 0 0 "[ . 1 . 2]" 1
152 1 112 VAL H 1 112 VAL MG2 3.310 . 3.310 1.959 1.890 2.186 . 0 0 "[ . 1 . 2]" 1
153 1 27 GLN H 1 28 GLY H 3.350 . 3.350 2.314 2.235 2.432 . 0 0 "[ . 1 . 2]" 1
154 1 26 SER QB 1 27 GLN H 3.580 . 3.580 3.166 3.041 3.246 . 0 0 "[ . 1 . 2]" 1
155 1 24 LEU HA 1 27 GLN H 3.900 . 3.900 3.478 3.366 3.609 . 0 0 "[ . 1 . 2]" 1
156 1 27 GLN H 1 27 GLN HB2 3.830 . 3.830 2.379 2.187 2.615 . 0 0 "[ . 1 . 2]" 1
157 1 27 GLN H 1 27 GLN HB3 3.830 . 3.830 3.189 2.715 3.578 . 0 0 "[ . 1 . 2]" 1
158 1 27 GLN H 1 27 GLN QG 4.200 . 4.200 3.566 2.909 4.140 . 0 0 "[ . 1 . 2]" 1
159 1 117 GLU H 1 117 GLU HG3 3.400 . 3.400 2.941 2.570 3.235 . 0 0 "[ . 1 . 2]" 1
160 1 117 GLU H 1 117 GLU HG2 3.470 . 3.470 2.908 2.304 3.398 . 0 0 "[ . 1 . 2]" 1
161 1 117 GLU H 1 117 GLU QB 2.860 . 2.860 2.344 2.220 2.499 . 0 0 "[ . 1 . 2]" 1
162 1 116 LYS HB2 1 117 GLU H 4.280 . 4.280 3.691 3.586 3.833 . 0 0 "[ . 1 . 2]" 1
163 1 116 LYS QG 1 117 GLU H 3.680 . 3.680 1.969 1.928 2.048 . 0 0 "[ . 1 . 2]" 1
164 1 114 MET H 1 115 GLU H 3.260 . 3.260 2.500 2.471 2.539 . 0 0 "[ . 1 . 2]" 1
165 1 112 VAL HA 1 115 GLU H 3.910 . 3.910 3.470 3.400 3.529 . 0 0 "[ . 1 . 2]" 1
166 1 115 GLU H 1 115 GLU HG2 3.410 . 3.410 2.666 2.450 3.195 . 0 0 "[ . 1 . 2]" 1
167 1 115 GLU H 1 115 GLU HG3 3.830 . 3.830 3.231 2.835 3.703 . 0 0 "[ . 1 . 2]" 1
168 1 114 MET QB 1 115 GLU H 3.780 . 3.780 3.423 3.394 3.448 . 0 0 "[ . 1 . 2]" 1
169 1 115 GLU H 1 115 GLU QB 2.930 . 2.930 2.324 2.249 2.393 . 0 0 "[ . 1 . 2]" 1
170 1 111 GLU H 1 112 VAL H 3.590 . 3.590 2.708 2.669 2.741 . 0 0 "[ . 1 . 2]" 1
171 1 111 GLU H 1 111 GLU HB3 3.900 . 3.900 3.465 3.427 3.542 . 0 0 "[ . 1 . 2]" 1
172 1 110 LYS QB 1 111 GLU H 3.570 . 3.570 2.758 2.688 2.806 . 0 0 "[ . 1 . 2]" 1
173 1 111 GLU H 1 111 GLU HB2 3.680 . 3.680 2.156 2.123 2.253 . 0 0 "[ . 1 . 2]" 1
174 1 110 LYS HG3 1 111 GLU H 4.880 . 4.880 4.889 4.848 4.910 0.030 2 0 "[ . 1 . 2]" 1
175 1 35 PRO HA 1 36 LEU H 2.770 . 2.770 2.181 2.157 2.255 . 0 0 "[ . 1 . 2]" 1
176 1 36 LEU H 1 36 LEU HB2 3.360 . 3.360 2.773 2.626 2.914 . 0 0 "[ . 1 . 2]" 1
177 1 45 ALA H 1 45 ALA MB 3.010 . 3.010 2.156 2.043 2.243 . 0 0 "[ . 1 . 2]" 1
178 1 36 LEU H 1 36 LEU HB3 3.510 . 3.510 3.112 3.027 3.213 . 0 0 "[ . 1 . 2]" 1
179 1 44 LEU MD2 1 45 ALA H 4.880 . 4.880 4.359 3.954 4.892 0.012 16 0 "[ . 1 . 2]" 1
180 1 47 PHE H 1 73 LEU MD2 4.890 . 4.890 4.369 4.116 4.588 . 0 0 "[ . 1 . 2]" 1
181 1 104 GLU H 1 105 HIS H 3.680 . 3.680 2.640 2.532 2.690 . 0 0 "[ . 1 . 2]" 1
182 1 105 HIS H 1 105 HIS HB2 3.900 . 3.900 2.213 2.114 2.492 . 0 0 "[ . 1 . 2]" 1
183 1 105 HIS H 1 105 HIS HB3 3.900 . 3.900 3.459 3.143 3.622 . 0 0 "[ . 1 . 2]" 1
184 1 104 GLU QG 1 105 HIS H 4.150 . 4.150 3.870 2.327 4.162 0.012 8 0 "[ . 1 . 2]" 1
185 1 44 LEU H 1 45 ALA H 3.870 . 3.870 2.783 2.677 2.841 . 0 0 "[ . 1 . 2]" 1
186 1 87 GLN H 1 88 GLU H 3.810 . 3.810 2.796 2.729 2.847 . 0 0 "[ . 1 . 2]" 1
187 1 87 GLN H 1 89 ALA MB 4.510 . 4.510 4.496 4.435 4.518 0.008 19 0 "[ . 1 . 2]" 1
188 1 117 GLU H 1 118 ILE H 3.120 . 3.120 2.723 2.598 2.865 . 0 0 "[ . 1 . 2]" 1
189 1 114 MET HA 1 118 ILE H 4.030 . 4.030 3.262 3.003 3.463 . 0 0 "[ . 1 . 2]" 1
190 1 17 LEU HB3 1 18 ALA H 3.130 . 3.130 2.814 2.618 2.942 . 0 0 "[ . 1 . 2]" 1
191 1 118 ILE H 1 118 ILE MD 3.090 . 3.090 1.989 1.920 2.094 . 0 0 "[ . 1 . 2]" 1
192 1 37 ILE H 1 40 CYS H 3.570 . 3.570 2.845 2.820 2.898 . 0 0 "[ . 1 . 2]" 1
193 1 39 GLY H 1 40 CYS H 3.570 . 3.570 2.749 2.702 2.815 . 0 0 "[ . 1 . 2]" 1
194 1 40 CYS H 1 40 CYS HB2 3.890 . 3.890 2.568 2.512 2.644 . 0 0 "[ . 1 . 2]" 1
195 1 36 LEU MD1 1 40 CYS H 3.880 . 3.880 3.899 3.885 3.909 0.029 10 0 "[ . 1 . 2]" 1
196 1 69 LEU H 1 70 ALA H 3.770 . 3.770 2.743 2.702 2.815 . 0 0 "[ . 1 . 2]" 1
197 1 116 LYS H 1 117 GLU H 3.090 . 3.090 2.387 2.343 2.478 . 0 0 "[ . 1 . 2]" 1
198 1 68 LYS H 1 69 LEU H 3.730 . 3.730 2.620 2.466 2.654 . 0 0 "[ . 1 . 2]" 1
199 1 75 ILE H 1 76 PRO HD3 5.090 . 5.090 4.871 4.834 4.906 . 0 0 "[ . 1 . 2]" 1
200 1 114 MET HA 1 116 LYS H 5.360 . 5.360 4.078 3.954 4.350 . 0 0 "[ . 1 . 2]" 1
201 1 115 GLU QB 1 116 LYS H 3.330 . 3.330 2.741 2.606 2.850 . 0 0 "[ . 1 . 2]" 1
202 1 69 LEU H 1 69 LEU HB2 3.250 . 3.250 3.249 2.948 3.287 0.037 2 0 "[ . 1 . 2]" 1
203 1 75 ILE H 1 75 ILE HB 2.920 . 2.920 2.576 2.465 2.703 . 0 0 "[ . 1 . 2]" 1
204 1 69 LEU H 1 69 LEU HB3 3.410 . 3.410 2.046 2.037 2.093 . 0 0 "[ . 1 . 2]" 1
205 1 116 LYS H 1 116 LYS QG 3.410 . 3.410 2.004 1.906 2.176 . 0 0 "[ . 1 . 2]" 1
206 1 75 ILE H 1 75 ILE MG 3.840 . 3.840 3.756 3.661 3.838 . 0 0 "[ . 1 . 2]" 1
207 1 69 LEU H 1 69 LEU MD1 4.690 . 4.690 4.245 4.203 4.343 . 0 0 "[ . 1 . 2]" 1
208 1 18 ALA H 1 18 ALA MB 2.750 . 2.750 2.169 2.068 2.239 . 0 0 "[ . 1 . 2]" 1
209 1 108 LEU H 1 108 LEU MD1 3.820 . 3.820 3.476 3.381 3.569 . 0 0 "[ . 1 . 2]" 1
210 1 108 LEU H 1 108 LEU MD2 4.300 . 4.300 3.596 3.449 3.794 . 0 0 "[ . 1 . 2]" 1
211 1 24 LEU H 1 24 LEU HG 3.540 . 3.540 2.532 2.400 2.781 . 0 0 "[ . 1 . 2]" 1
212 1 80 GLN QB 1 81 ASP H 4.060 . 4.060 2.643 2.013 3.937 . 0 0 "[ . 1 . 2]" 1
213 1 24 LEU H 1 24 LEU HB3 3.980 . 3.980 3.558 3.518 3.575 . 0 0 "[ . 1 . 2]" 1
214 1 24 LEU H 1 24 LEU MD1 3.770 . 3.770 3.461 3.169 3.661 . 0 0 "[ . 1 . 2]" 1
215 1 107 ARG H 1 107 ARG QB 3.380 . 3.380 2.149 2.041 2.430 . 0 0 "[ . 1 . 2]" 1
216 1 107 ARG QB 1 108 LEU H 3.740 . 3.740 2.448 2.249 3.279 . 0 0 "[ . 1 . 2]" 1
217 1 108 LEU H 1 108 LEU HG 3.240 . 3.240 2.348 2.170 2.554 . 0 0 "[ . 1 . 2]" 1
218 1 8 ARG H 1 9 ARG H 4.030 . 4.030 3.831 2.239 4.169 0.139 13 0 "[ . 1 . 2]" 1
219 1 7 GLY QA 1 8 ARG H 2.590 . 2.590 2.397 2.132 2.599 0.009 12 0 "[ . 1 . 2]" 1
220 1 8 ARG H 1 8 ARG QD 3.950 . 3.950 3.111 1.949 4.006 0.056 19 0 "[ . 1 . 2]" 1
221 1 8 ARG H 1 8 ARG QB 2.860 . 2.860 2.744 2.275 2.982 0.122 2 0 "[ . 1 . 2]" 1
222 1 8 ARG H 1 8 ARG QG 3.390 . 3.390 2.830 2.340 3.400 0.010 19 0 "[ . 1 . 2]" 1
223 1 119 LEU H 1 120 GLU H 3.020 . 3.020 2.766 2.617 2.926 . 0 0 "[ . 1 . 2]" 1
224 1 120 GLU H 1 121 LYS H 2.960 . 2.960 2.735 2.378 2.965 0.005 19 0 "[ . 1 . 2]" 1
225 1 120 GLU H 1 120 GLU HG2 3.390 . 3.390 2.847 2.526 3.190 . 0 0 "[ . 1 . 2]" 1
226 1 120 GLU H 1 120 GLU HG3 3.390 . 3.390 2.531 2.050 2.877 . 0 0 "[ . 1 . 2]" 1
227 1 120 GLU H 1 120 GLU HB3 3.890 . 3.890 3.597 3.577 3.654 . 0 0 "[ . 1 . 2]" 1
228 1 120 GLU H 1 120 GLU HB2 2.790 . 2.790 2.532 2.393 2.711 . 0 0 "[ . 1 . 2]" 1
229 1 24 LEU H 1 25 ARG H 3.860 . 3.860 2.848 2.816 2.879 . 0 0 "[ . 1 . 2]" 1
230 1 21 LYS HA 1 25 ARG H 4.240 . 4.240 4.067 3.844 4.227 . 0 0 "[ . 1 . 2]" 1
231 1 25 ARG H 1 25 ARG QB 3.010 . 3.010 2.544 2.440 2.627 . 0 0 "[ . 1 . 2]" 1
232 1 25 ARG H 1 25 ARG HG2 3.670 . 3.670 2.110 1.893 2.382 . 0 0 "[ . 1 . 2]" 1
233 1 25 ARG H 1 25 ARG HG3 3.670 . 3.670 3.193 2.930 3.408 . 0 0 "[ . 1 . 2]" 1
234 1 24 LEU HB3 1 25 ARG H 3.940 . 3.940 3.285 3.135 3.358 . 0 0 "[ . 1 . 2]" 1
235 1 88 GLU H 1 88 GLU HG2 3.930 . 3.930 2.923 2.251 3.679 . 0 0 "[ . 1 . 2]" 1
236 1 88 GLU H 1 88 GLU QB 3.280 . 3.280 2.437 2.327 2.538 . 0 0 "[ . 1 . 2]" 1
237 1 87 GLN HB3 1 88 GLU H 3.940 . 3.940 2.952 2.422 3.365 . 0 0 "[ . 1 . 2]" 1
238 1 87 GLN HB2 1 88 GLU H 3.940 . 3.940 2.992 2.561 3.838 . 0 0 "[ . 1 . 2]" 1
239 1 23 HIS H 1 24 LEU H 3.990 . 3.990 2.595 2.537 2.642 . 0 0 "[ . 1 . 2]" 1
240 1 22 LYS H 1 23 HIS H 3.740 . 3.740 2.695 2.631 2.773 . 0 0 "[ . 1 . 2]" 1
241 1 23 HIS H 1 23 HIS HB2 3.900 . 3.900 2.752 2.572 3.596 . 0 0 "[ . 1 . 2]" 1
242 1 23 HIS H 1 23 HIS HB3 3.900 . 3.900 2.469 2.361 2.515 . 0 0 "[ . 1 . 2]" 1
243 1 23 HIS H 1 108 LEU MD1 4.020 . 4.020 3.541 2.959 3.899 . 0 0 "[ . 1 . 2]" 1
244 1 23 HIS H 1 108 LEU MD2 4.190 . 4.190 3.789 3.322 4.187 . 0 0 "[ . 1 . 2]" 1
245 1 36 LEU HA 1 37 ILE H 3.430 . 3.430 2.249 2.229 2.262 . 0 0 "[ . 1 . 2]" 1
246 1 37 ILE H 1 37 ILE HB 3.590 . 3.590 3.313 3.255 3.380 . 0 0 "[ . 1 . 2]" 1
247 1 36 LEU HB3 1 37 ILE H 3.760 . 3.760 3.324 3.263 3.388 . 0 0 "[ . 1 . 2]" 1
248 1 37 ILE H 1 37 ILE MG 3.860 . 3.860 2.346 2.269 2.416 . 0 0 "[ . 1 . 2]" 1
249 1 36 LEU MD1 1 37 ILE H 3.790 . 3.790 3.255 3.217 3.327 . 0 0 "[ . 1 . 2]" 1
250 1 112 VAL H 1 113 LEU H 3.560 . 3.560 2.814 2.774 2.832 . 0 0 "[ . 1 . 2]" 1
251 1 113 LEU H 1 114 MET H 3.320 . 3.320 2.910 2.816 2.981 . 0 0 "[ . 1 . 2]" 1
252 1 112 VAL HB 1 113 LEU H 3.560 . 3.560 2.288 2.246 2.358 . 0 0 "[ . 1 . 2]" 1
253 1 113 LEU H 1 113 LEU HB2 3.250 . 3.250 2.122 2.044 2.186 . 0 0 "[ . 1 . 2]" 1
254 1 113 LEU H 1 113 LEU HB3 3.500 . 3.500 3.414 3.290 3.485 . 0 0 "[ . 1 . 2]" 1
255 1 112 VAL MG2 1 113 LEU H 3.810 . 3.810 3.621 3.560 3.664 . 0 0 "[ . 1 . 2]" 1
256 1 112 VAL MG1 1 113 LEU H 3.660 . 3.660 3.385 3.308 3.433 . 0 0 "[ . 1 . 2]" 1
257 1 46 CYS H 1 47 PHE H 3.880 . 3.880 2.547 2.480 2.621 . 0 0 "[ . 1 . 2]" 1
258 1 45 ALA H 1 46 CYS H 3.460 . 3.460 2.678 2.581 2.763 . 0 0 "[ . 1 . 2]" 1
259 1 46 CYS H 1 46 CYS HB2 3.620 . 3.620 2.379 2.211 2.600 . 0 0 "[ . 1 . 2]" 1
260 1 46 CYS H 1 46 CYS HB3 3.620 . 3.620 2.724 2.493 2.939 . 0 0 "[ . 1 . 2]" 1
261 1 45 ALA MB 1 46 CYS H 3.500 . 3.500 2.502 2.399 2.665 . 0 0 "[ . 1 . 2]" 1
262 1 89 ALA H 1 90 TYR H 3.660 . 3.660 2.618 2.603 2.645 . 0 0 "[ . 1 . 2]" 1
263 1 88 GLU H 1 89 ALA H 3.470 . 3.470 2.442 2.409 2.476 . 0 0 "[ . 1 . 2]" 1
264 1 86 LEU HA 1 89 ALA H 3.750 . 3.750 3.250 2.987 3.367 . 0 0 "[ . 1 . 2]" 1
265 1 88 GLU QB 1 89 ALA H 3.310 . 3.310 2.827 2.816 2.843 . 0 0 "[ . 1 . 2]" 1
266 1 89 ALA H 1 89 ALA MB 2.990 . 2.990 2.207 2.166 2.225 . 0 0 "[ . 1 . 2]" 1
267 1 14 VAL H 1 14 VAL HB 3.600 . 3.600 2.568 2.528 2.592 . 0 0 "[ . 1 . 2]" 1
268 1 29 ILE HA 1 30 THR H 2.790 . 2.790 2.191 2.173 2.201 . 0 0 "[ . 1 . 2]" 1
269 1 30 THR H 1 30 THR MG 3.930 . 3.930 3.738 3.708 3.781 . 0 0 "[ . 1 . 2]" 1
270 1 29 ILE MG 1 30 THR H 3.310 . 3.310 3.129 3.007 3.237 . 0 0 "[ . 1 . 2]" 1
271 1 104 GLU H 1 104 GLU QG 3.410 . 3.410 2.081 1.903 3.466 0.056 6 0 "[ . 1 . 2]" 1
272 1 103 GLU QB 1 104 GLU H 3.910 . 3.910 2.625 2.216 3.196 . 0 0 "[ . 1 . 2]" 1
273 1 8 ARG HA 1 9 ARG H 3.060 . 3.060 2.653 2.076 3.222 0.162 20 0 "[ . 1 . 2]" 1
274 1 8 ARG QB 1 9 ARG H 3.220 . 3.220 2.713 1.826 3.312 0.092 17 0 "[ . 1 . 2]" 1
275 1 9 ARG H 1 9 ARG QB 3.490 . 3.490 2.865 2.256 3.449 . 0 0 "[ . 1 . 2]" 1
276 1 9 ARG H 1 9 ARG QG 3.410 . 3.410 2.583 1.949 3.413 0.003 2 0 "[ . 1 . 2]" 1
277 1 2 PRO HB2 1 3 LEU H 4.440 . 4.440 3.052 2.207 3.413 . 0 0 "[ . 1 . 2]" 1
278 1 2 PRO HB3 1 3 LEU H 4.440 . 4.440 4.059 3.683 4.188 . 0 0 "[ . 1 . 2]" 1
279 1 3 LEU H 1 3 LEU HB2 3.590 . 3.590 2.577 2.275 3.594 0.004 2 0 "[ . 1 . 2]" 1
280 1 3 LEU H 1 3 LEU HG 3.110 . 3.110 2.575 1.997 3.112 0.002 6 0 "[ . 1 . 2]" 1
281 1 3 LEU H 1 3 LEU HB3 3.590 . 3.590 3.508 2.742 3.595 0.005 7 0 "[ . 1 . 2]" 1
282 1 100 LEU H 1 100 LEU HG 4.140 . 4.140 3.226 2.306 4.074 . 0 0 "[ . 1 . 2]" 1
283 1 100 LEU H 1 100 LEU MD2 3.600 . 3.600 2.642 1.810 3.638 0.038 16 0 "[ . 1 . 2]" 1
284 1 27 GLN H 1 29 ILE H 4.440 . 4.440 3.276 3.179 3.417 . 0 0 "[ . 1 . 2]" 1
285 1 27 GLN HB3 1 29 ILE H 4.590 . 4.590 3.627 3.078 4.122 . 0 0 "[ . 1 . 2]" 1
286 1 29 ILE H 1 29 ILE HB 3.290 . 3.290 2.496 2.442 2.564 . 0 0 "[ . 1 . 2]" 1
287 1 29 ILE H 1 29 ILE HG13 3.970 . 3.970 2.856 2.574 3.518 . 0 0 "[ . 1 . 2]" 1
288 1 29 ILE H 1 29 ILE HG12 3.970 . 3.970 3.997 3.984 4.013 0.043 11 0 "[ . 1 . 2]" 1
289 1 29 ILE H 1 29 ILE MG 3.910 . 3.910 3.788 3.758 3.821 . 0 0 "[ . 1 . 2]" 1
290 1 29 ILE H 1 29 ILE MD 3.640 . 3.640 2.893 1.924 3.461 . 0 0 "[ . 1 . 2]" 1
291 1 94 LEU H 1 95 LEU H 3.800 . 3.800 2.787 2.701 2.893 . 0 0 "[ . 1 . 2]" 1
292 1 95 LEU H 1 95 LEU HB2 3.940 . 3.940 2.068 2.053 2.094 . 0 0 "[ . 1 . 2]" 1
293 1 10 TRP H 1 10 TRP HE1 . . 4.790 4.114 3.926 4.527 . 0 0 "[ . 1 . 2]" 1
294 1 10 TRP H 1 10 TRP HD1 3.750 . 3.750 2.742 2.394 3.336 . 0 0 "[ . 1 . 2]" 1
295 1 9 ARG HA 1 10 TRP H 2.780 . 2.780 2.189 2.129 2.323 . 0 0 "[ . 1 . 2]" 1
296 1 10 TRP H 1 10 TRP HB2 3.820 . 3.820 3.565 3.551 3.600 . 0 0 "[ . 1 . 2]" 1
297 1 10 TRP H 1 10 TRP HB3 3.820 . 3.820 2.894 2.664 3.138 . 0 0 "[ . 1 . 2]" 1
298 1 9 ARG QB 1 10 TRP H 3.560 . 3.560 3.020 2.562 3.359 . 0 0 "[ . 1 . 2]" 1
299 1 76 PRO HA 1 77 LYS H 3.140 . 3.140 2.133 2.103 2.143 . 0 0 "[ . 1 . 2]" 1
300 1 77 LYS H 1 77 LYS HB2 3.650 . 3.650 3.181 2.178 3.602 . 0 0 "[ . 1 . 2]" 1
301 1 77 LYS H 1 77 LYS HB3 3.650 . 3.650 2.946 2.545 3.595 . 0 0 "[ . 1 . 2]" 1
302 1 33 GLU QG 1 34 LEU H 4.030 . 4.030 3.702 1.890 4.020 . 0 0 "[ . 1 . 2]" 1
303 1 33 GLU HB3 1 34 LEU H 3.670 . 3.670 2.763 2.433 3.681 0.011 14 0 "[ . 1 . 2]" 1
304 1 33 GLU HB2 1 34 LEU H 3.670 . 3.670 2.099 1.936 2.629 . 0 0 "[ . 1 . 2]" 1
305 1 34 LEU H 1 34 LEU QB 3.590 . 3.590 3.158 2.921 3.424 . 0 0 "[ . 1 . 2]" 1
306 1 86 LEU H 1 87 GLN H 3.810 . 3.810 2.638 2.537 2.705 . 0 0 "[ . 1 . 2]" 1
307 1 86 LEU H 1 86 LEU HB2 3.450 . 3.450 3.006 2.884 3.411 . 0 0 "[ . 1 . 2]" 1
308 1 86 LEU H 1 86 LEU HB3 3.450 . 3.450 2.090 2.064 2.133 . 0 0 "[ . 1 . 2]" 1
309 1 37 ILE MD 1 86 LEU H 4.290 . 4.290 3.753 3.491 4.042 . 0 0 "[ . 1 . 2]" 1
310 1 31 MET H 1 32 ASP H 3.770 . 3.770 2.468 1.971 2.741 . 0 0 "[ . 1 . 2]" 1
311 1 32 ASP H 1 33 GLU H 3.250 . 3.250 2.614 2.423 2.769 . 0 0 "[ . 1 . 2]" 1
312 1 31 MET HA 1 32 ASP H 3.250 . 3.250 2.953 2.856 3.220 . 0 0 "[ . 1 . 2]" 1
313 1 71 ASP HB3 1 72 MET H 4.420 . 4.420 2.589 2.408 3.281 . 0 0 "[ . 1 . 2]" 1
314 1 32 ASP H 1 32 ASP HB2 3.650 . 3.650 2.220 2.074 2.455 . 0 0 "[ . 1 . 2]" 1
315 1 32 ASP H 1 32 ASP HB3 3.650 . 3.650 3.287 2.867 3.587 . 0 0 "[ . 1 . 2]" 1
316 1 72 MET H 1 72 MET HB2 4.070 . 4.070 2.170 2.071 2.431 . 0 0 "[ . 1 . 2]" 1
317 1 72 MET H 1 72 MET HB3 4.070 . 4.070 3.357 3.038 3.589 . 0 0 "[ . 1 . 2]" 1
318 1 84 ALA H 1 85 LYS H 3.840 . 3.840 2.537 2.512 2.582 . 0 0 "[ . 1 . 2]" 1
319 1 83 LEU H 1 84 ALA H 3.540 . 3.540 2.706 2.630 2.790 . 0 0 "[ . 1 . 2]" 1
320 1 83 LEU HB2 1 84 ALA H 4.270 . 4.270 2.578 2.309 2.793 . 0 0 "[ . 1 . 2]" 1
321 1 84 ALA H 1 84 ALA MB 2.940 . 2.940 2.192 2.094 2.245 . 0 0 "[ . 1 . 2]" 1
322 1 117 GLU HA 1 119 LEU H 3.950 . 3.950 3.816 3.764 3.871 . 0 0 "[ . 1 . 2]" 1
323 1 118 ILE HA 1 119 LEU H 3.280 . 3.280 3.163 3.160 3.166 . 0 0 "[ . 1 . 2]" 1
324 1 118 ILE HB 1 119 LEU H 3.940 . 3.940 3.801 3.790 3.811 . 0 0 "[ . 1 . 2]" 1
325 1 5 SER HA 1 6 LEU H 2.930 . 2.930 2.521 2.150 2.912 . 0 0 "[ . 1 . 2]" 1
326 1 5 SER HB2 1 6 LEU H 4.940 . 4.940 4.446 3.755 4.641 . 0 0 "[ . 1 . 2]" 1
327 1 5 SER HB3 1 6 LEU H 4.940 . 4.940 4.282 3.854 4.672 . 0 0 "[ . 1 . 2]" 1
328 1 6 LEU H 1 6 LEU HB2 3.050 . 3.050 2.658 2.494 2.891 . 0 0 "[ . 1 . 2]" 1
329 1 6 LEU H 1 6 LEU HG 2.920 . 2.920 2.343 1.997 2.883 . 0 0 "[ . 1 . 2]" 1
330 1 6 LEU H 1 6 LEU MD2 4.410 . 4.410 3.563 2.998 4.027 . 0 0 "[ . 1 . 2]" 1
331 1 78 THR HB 1 79 ALA H 3.980 . 3.980 3.677 3.478 3.861 . 0 0 "[ . 1 . 2]" 1
332 1 78 THR HA 1 79 ALA H 3.510 . 3.510 3.452 3.427 3.468 . 0 0 "[ . 1 . 2]" 1
333 1 79 ALA H 1 82 ARG QB 4.290 . 4.290 4.164 4.027 4.319 0.029 18 0 "[ . 1 . 2]" 1
334 1 79 ALA H 1 79 ALA MB 2.840 . 2.840 2.222 2.104 2.298 . 0 0 "[ . 1 . 2]" 1
335 1 30 THR HA 1 31 MET H 2.950 . 2.950 2.144 2.134 2.168 . 0 0 "[ . 1 . 2]" 1
336 1 31 MET H 1 31 MET HB2 3.820 . 3.820 2.516 2.234 2.671 . 0 0 "[ . 1 . 2]" 1
337 1 31 MET H 1 31 MET HB3 3.820 . 3.820 3.304 3.185 3.540 . 0 0 "[ . 1 . 2]" 1
338 1 42 LEU HA 1 43 ASP H 3.210 . 3.210 2.216 2.211 2.222 . 0 0 "[ . 1 . 2]" 1
339 1 43 ASP H 1 43 ASP HB2 3.550 . 3.550 2.375 2.218 2.729 . 0 0 "[ . 1 . 2]" 1
340 1 43 ASP H 1 43 ASP HB3 3.550 . 3.550 3.137 2.578 3.550 . 2 0 "[ . 1 . 2]" 1
341 1 42 LEU MD2 1 43 ASP H 3.480 . 3.480 3.019 2.938 3.064 . 0 0 "[ . 1 . 2]" 1
342 1 43 ASP HA 1 44 LEU H 3.460 . 3.460 2.154 2.146 2.171 . 0 0 "[ . 1 . 2]" 1
343 1 44 LEU H 1 44 LEU HG 4.110 . 4.110 3.829 3.292 4.089 . 0 0 "[ . 1 . 2]" 1
344 1 79 ALA HA 1 80 GLN H 2.950 . 2.950 2.157 2.134 2.187 . 0 0 "[ . 1 . 2]" 1
345 1 80 GLN H 1 80 GLN QG 3.490 . 3.490 3.017 2.261 3.491 0.001 7 0 "[ . 1 . 2]" 1
346 1 80 GLN H 1 80 GLN QB 2.950 . 2.950 2.225 2.072 2.596 . 0 0 "[ . 1 . 2]" 1
347 1 79 ALA MB 1 80 GLN H 3.620 . 3.620 3.365 3.277 3.485 . 0 0 "[ . 1 . 2]" 1
348 1 120 GLU HB3 1 121 LYS H 3.830 . 3.830 3.420 2.986 3.821 . 0 0 "[ . 1 . 2]" 1
349 1 120 GLU HB2 1 121 LYS H 3.630 . 3.630 2.324 1.979 2.827 . 0 0 "[ . 1 . 2]" 1
350 1 121 LYS H 1 121 LYS QG 3.170 . 3.170 2.069 1.916 2.345 . 0 0 "[ . 1 . 2]" 1
351 1 41 GLU HA 1 42 LEU H 3.030 . 3.030 2.228 2.207 2.239 . 0 0 "[ . 1 . 2]" 1
352 1 42 LEU H 1 42 LEU HB3 4.080 . 4.080 3.121 3.087 3.137 . 0 0 "[ . 1 . 2]" 1
353 1 42 LEU H 1 42 LEU HB2 4.080 . 4.080 3.896 3.892 3.902 . 0 0 "[ . 1 . 2]" 1
354 1 42 LEU H 1 42 LEU MD1 3.880 . 3.880 1.790 1.782 1.818 0.018 18 0 "[ . 1 . 2]" 1
355 1 42 LEU H 1 42 LEU MD2 3.630 . 3.630 3.516 3.496 3.571 . 0 0 "[ . 1 . 2]" 1
356 1 10 TRP HE1 1 15 GLN QB 3.840 . 3.840 2.170 1.894 2.660 . 0 0 "[ . 1 . 2]" 1
357 1 74 ARG HA 1 75 ILE H 3.540 . 3.540 2.404 2.396 2.411 . 0 0 "[ . 1 . 2]" 1
358 1 75 ILE H 1 75 ILE QG 4.140 . 4.140 3.825 3.752 3.879 . 0 0 "[ . 1 . 2]" 1
359 1 75 ILE H 1 75 ILE MD 3.660 . 3.660 2.458 2.391 2.662 . 0 0 "[ . 1 . 2]" 1
360 1 15 GLN H 1 15 GLN QG 4.100 . 4.100 3.989 3.897 4.061 . 0 0 "[ . 1 . 2]" 1
361 1 21 LYS QD 1 22 LYS H 4.960 . 4.960 4.018 2.313 4.964 0.004 5 0 "[ . 1 . 2]" 1
362 1 14 VAL MG1 1 15 GLN H 4.120 . 4.120 3.578 3.439 3.682 . 0 0 "[ . 1 . 2]" 1
363 1 67 ASN HB3 1 68 LYS H 4.150 . 4.150 3.542 3.017 3.989 . 0 0 "[ . 1 . 2]" 1
364 1 68 LYS H 1 69 LEU HB3 4.640 . 4.640 4.388 4.150 4.444 . 0 0 "[ . 1 . 2]" 1
365 1 48 PHE H 1 49 ARG H 4.080 . 4.080 2.789 2.725 2.848 . 0 0 "[ . 1 . 2]" 1
366 1 48 PHE QD 1 49 ARG H 4.050 . 4.050 3.216 3.009 3.479 . 0 0 "[ . 1 . 2]" 1
367 1 117 GLU H 1 118 ILE MD 5.060 . 5.060 3.494 3.376 3.595 . 0 0 "[ . 1 . 2]" 1
368 1 58 GLN QB 1 59 GLN H 4.080 . 4.080 3.246 2.561 3.395 . 0 0 "[ . 1 . 2]" 1
369 1 72 MET H 1 73 LEU H 4.100 . 4.100 2.592 2.554 2.626 . 0 0 "[ . 1 . 2]" 1
370 1 57 MET H 1 58 GLN H 4.040 . 4.040 2.542 2.478 2.654 . 0 0 "[ . 1 . 2]" 1
371 1 57 MET H 1 57 MET HB3 4.200 . 4.200 2.785 2.414 3.464 . 0 0 "[ . 1 . 2]" 1
372 1 68 LYS HA 1 71 ASP H 4.080 . 4.080 3.227 3.161 3.302 . 0 0 "[ . 1 . 2]" 1
373 1 5 SER H 1 6 LEU HG 4.020 . 4.020 3.394 2.500 3.965 . 0 0 "[ . 1 . 2]" 1
374 1 98 ASP QB 1 99 SER H 4.030 . 4.030 3.268 2.908 3.832 . 0 0 "[ . 1 . 2]" 1
375 1 59 GLN QB 1 59 GLN HE21 4.130 . 4.130 2.967 2.468 3.390 . 0 0 "[ . 1 . 2]" 1
376 1 15 GLN HE21 1 109 GLU HB2 4.850 . 4.850 4.493 4.057 4.825 . 0 0 "[ . 1 . 2]" 1
377 1 15 GLN HE22 1 109 GLU HB2 4.850 . 4.850 4.243 3.461 4.856 0.006 9 0 "[ . 1 . 2]" 1
378 1 29 ILE MD 1 92 GLN HE21 4.090 . 4.090 2.707 1.959 4.092 0.002 12 0 "[ . 1 . 2]" 1
379 1 55 GLY H 1 56 GLY H 4.050 . 4.050 2.548 1.995 3.372 . 0 0 "[ . 1 . 2]" 1
380 1 36 LEU MD2 1 39 GLY H 4.070 . 4.070 3.534 3.317 3.733 . 0 0 "[ . 1 . 2]" 1
381 1 77 LYS H 1 78 THR H 4.070 . 4.070 2.551 2.524 2.598 . 0 0 "[ . 1 . 2]" 1
382 1 77 LYS HB3 1 78 THR H 4.830 . 4.830 4.101 3.778 4.234 . 0 0 "[ . 1 . 2]" 1
383 1 93 TYR H 1 93 TYR HB2 4.200 . 4.200 2.483 2.444 2.541 . 0 0 "[ . 1 . 2]" 1
384 1 95 LEU HB3 1 96 SER H 4.010 . 4.010 2.788 2.495 3.344 . 0 0 "[ . 1 . 2]" 1
385 1 81 ASP H 1 82 ARG H 4.090 . 4.090 2.491 1.782 2.875 0.018 16 0 "[ . 1 . 2]" 1
386 1 80 GLN HA 1 82 ARG H 4.070 . 4.070 3.973 3.833 4.138 0.068 11 0 "[ . 1 . 2]" 1
387 1 101 SER HA 1 103 GLU H 4.360 . 4.360 4.185 4.112 4.328 . 0 0 "[ . 1 . 2]" 1
388 1 20 ILE MG 1 21 LYS H 4.100 . 4.100 3.543 3.129 3.708 . 0 0 "[ . 1 . 2]" 1
389 1 110 LYS QB 1 114 MET H 4.750 . 4.750 4.750 4.714 4.777 0.027 2 0 "[ . 1 . 2]" 1
390 1 19 CYS H 1 112 VAL MG2 4.020 . 4.020 4.019 3.904 4.032 0.012 6 0 "[ . 1 . 2]" 1
391 1 19 CYS H 1 112 VAL MG1 4.400 . 4.400 3.837 3.659 4.066 . 0 0 "[ . 1 . 2]" 1
392 1 90 TYR H 1 90 TYR QD 4.060 . 4.060 2.588 2.409 2.765 . 0 0 "[ . 1 . 2]" 1
393 1 90 TYR H 1 90 TYR HB3 4.080 . 4.080 2.378 2.360 2.391 . 0 0 "[ . 1 . 2]" 1
394 1 90 TYR H 1 91 CYS H 4.010 . 4.010 2.309 2.256 2.411 . 0 0 "[ . 1 . 2]" 1
395 1 109 GLU HA 1 111 GLU H 4.740 . 4.740 4.118 4.031 4.207 . 0 0 "[ . 1 . 2]" 1
396 1 111 GLU H 1 112 VAL MG2 4.580 . 4.580 4.076 4.024 4.207 . 0 0 "[ . 1 . 2]" 1
397 1 104 GLU QB 1 105 HIS H 4.040 . 4.040 2.932 2.803 3.596 . 0 0 "[ . 1 . 2]" 1
398 1 117 GLU HG3 1 118 ILE H 4.810 . 4.810 4.468 4.323 4.622 . 0 0 "[ . 1 . 2]" 1
399 1 36 LEU HA 1 40 CYS H 4.650 . 4.650 4.667 4.648 4.690 0.040 17 0 "[ . 1 . 2]" 1
400 1 115 GLU HG3 1 116 LYS H 5.070 . 5.070 4.918 4.801 5.070 . 0 0 "[ . 1 . 2]" 1
401 1 108 LEU H 1 109 GLU HB3 4.880 . 4.880 4.861 4.811 4.885 0.005 5 0 "[ . 1 . 2]" 1
402 1 22 LYS QG 1 23 HIS H 4.620 . 4.620 4.319 4.255 4.399 . 0 0 "[ . 1 . 2]" 1
403 1 110 LYS QB 1 113 LEU H 5.500 . 5.500 5.373 5.233 5.462 . 0 0 "[ . 1 . 2]" 1
404 1 111 GLU HB2 1 113 LEU H 5.500 . 5.500 5.167 5.001 5.237 . 0 0 "[ . 1 . 2]" 1
405 1 37 ILE MD 1 89 ALA H 4.280 . 4.280 4.170 4.042 4.290 0.010 16 0 "[ . 1 . 2]" 1
406 1 14 VAL H 1 15 GLN H 4.050 . 4.050 2.527 2.444 2.621 . 0 0 "[ . 1 . 2]" 1
407 1 14 VAL H 1 14 VAL MG1 3.990 . 3.990 3.768 3.763 3.777 . 0 0 "[ . 1 . 2]" 1
408 1 2 PRO QD 1 3 LEU H 4.060 . 4.060 2.675 2.508 2.837 . 0 0 "[ . 1 . 2]" 1
409 1 24 LEU MD2 1 29 ILE H 4.510 . 4.510 4.305 3.872 4.519 0.009 5 0 "[ . 1 . 2]" 1
410 1 91 CYS HA 1 95 LEU H 4.020 . 4.020 3.290 3.134 3.502 . 0 0 "[ . 1 . 2]" 1
411 1 95 LEU H 1 95 LEU HB3 4.010 . 4.010 3.357 3.322 3.403 . 0 0 "[ . 1 . 2]" 1
412 1 95 LEU H 1 95 LEU MD2 4.030 . 4.030 2.563 2.429 2.754 . 0 0 "[ . 1 . 2]" 1
413 1 9 ARG QG 1 10 TRP H 4.560 . 4.560 4.153 3.782 4.567 0.007 3 0 "[ . 1 . 2]" 1
414 1 76 PRO HB2 1 77 LYS H 4.020 . 4.020 3.665 3.615 3.800 . 0 0 "[ . 1 . 2]" 1
415 1 77 LYS H 1 77 LYS HG2 4.280 . 4.280 3.050 2.282 3.849 . 0 0 "[ . 1 . 2]" 1
416 1 83 LEU HA 1 86 LEU H 4.100 . 4.100 3.762 3.633 3.928 . 0 0 "[ . 1 . 2]" 1
417 1 30 THR MG 1 32 ASP H 4.100 . 4.100 2.612 2.473 2.730 . 0 0 "[ . 1 . 2]" 1
418 1 79 ALA H 1 80 GLN H 4.620 . 4.620 4.374 4.211 4.467 . 0 0 "[ . 1 . 2]" 1
419 1 77 LYS HA 1 79 ALA H 4.080 . 4.080 3.682 3.571 3.781 . 0 0 "[ . 1 . 2]" 1
420 1 76 PRO HB2 1 79 ALA H 4.030 . 4.030 2.938 2.662 3.201 . 0 0 "[ . 1 . 2]" 1
421 1 42 LEU MD1 1 43 ASP H 4.310 . 4.310 4.278 4.231 4.297 . 0 0 "[ . 1 . 2]" 1
422 1 97 TYR H 1 97 TYR HB2 4.120 . 4.120 2.428 2.264 2.535 . 0 0 "[ . 1 . 2]" 1
423 1 97 TYR H 1 97 TYR HB3 4.120 . 4.120 2.641 2.528 2.843 . 0 0 "[ . 1 . 2]" 1
424 1 44 LEU H 1 44 LEU MD2 4.240 . 4.240 2.742 1.887 4.045 . 0 0 "[ . 1 . 2]" 1
425 1 80 GLN H 1 82 ARG H 4.110 . 4.110 3.822 3.614 4.075 . 0 0 "[ . 1 . 2]" 1
426 1 120 GLU HG3 1 121 LYS H 4.780 . 4.780 4.144 3.861 4.462 . 0 0 "[ . 1 . 2]" 1
427 1 118 ILE MG 1 121 LYS H 4.020 . 4.020 3.348 2.665 3.830 . 0 0 "[ . 1 . 2]" 1
428 1 36 LEU HA 1 42 LEU H 4.100 . 4.100 3.242 3.166 3.370 . 0 0 "[ . 1 . 2]" 1
429 1 10 TRP HE1 1 15 GLN QG 4.060 . 4.060 2.966 1.983 3.571 . 0 0 "[ . 1 . 2]" 1
430 1 61 THR HB 1 62 ASP H 4.060 . 4.060 3.803 3.738 3.857 . 0 0 "[ . 1 . 2]" 1
431 1 61 THR HB 1 66 TRP HE1 4.200 . 4.200 2.580 2.458 2.719 . 0 0 "[ . 1 . 2]" 1
432 1 61 THR MG 1 66 TRP HE1 4.150 . 4.150 4.161 4.058 4.202 0.052 10 0 "[ . 1 . 2]" 1
433 1 15 GLN H 1 18 ALA H 5.040 . 5.040 4.640 4.567 4.720 . 0 0 "[ . 1 . 2]" 1
434 1 14 VAL H 1 16 ARG H 4.430 . 4.430 4.086 3.832 4.328 . 0 0 "[ . 1 . 2]" 1
435 1 48 PHE HB2 1 49 ARG H 4.170 . 4.170 3.787 3.720 3.871 . 0 0 "[ . 1 . 2]" 1
436 1 48 PHE HB3 1 49 ARG H 4.170 . 4.170 2.427 2.337 2.564 . 0 0 "[ . 1 . 2]" 1
437 1 15 GLN QG 1 16 ARG H 4.340 . 4.340 4.097 3.615 4.362 0.022 5 0 "[ . 1 . 2]" 1
438 1 60 VAL H 1 61 THR MG 4.260 . 4.260 4.136 3.921 4.272 0.012 18 0 "[ . 1 . 2]" 1
439 1 58 GLN H 1 58 GLN HG2 4.910 . 4.910 2.207 1.929 4.291 . 0 0 "[ . 1 . 2]" 1
440 1 58 GLN H 1 58 GLN HG3 4.910 . 4.910 3.210 2.592 4.528 . 0 0 "[ . 1 . 2]" 1
441 1 66 TRP HA 1 70 ALA H 4.810 . 4.810 3.536 3.146 3.608 . 0 0 "[ . 1 . 2]" 1
442 1 69 LEU HB2 1 70 ALA H 4.210 . 4.210 4.169 4.050 4.211 0.001 8 0 "[ . 1 . 2]" 1
443 1 69 LEU MD1 1 70 ALA H 4.550 . 4.550 4.252 4.219 4.398 . 0 0 "[ . 1 . 2]" 1
444 1 69 LEU MD2 1 70 ALA H 4.550 . 4.550 1.804 1.786 1.956 0.014 19 0 "[ . 1 . 2]" 1
445 1 49 ARG H 1 50 LEU H 4.250 . 4.250 2.721 2.638 2.794 . 0 0 "[ . 1 . 2]" 1
446 1 65 LYS H 1 66 TRP H 4.200 . 4.200 2.060 1.983 2.226 . 0 0 "[ . 1 . 2]" 1
447 1 58 GLN H 1 59 GLN H 4.290 . 4.290 2.849 2.796 2.950 . 0 0 "[ . 1 . 2]" 1
448 1 59 GLN H 1 59 GLN HG2 4.890 . 4.890 3.955 2.002 4.574 . 0 0 "[ . 1 . 2]" 1
449 1 70 ALA HA 1 73 LEU H 4.240 . 4.240 3.208 3.172 3.253 . 0 0 "[ . 1 . 2]" 1
450 1 57 MET H 1 57 MET HB2 4.200 . 4.200 2.380 2.135 2.618 . 0 0 "[ . 1 . 2]" 1
451 1 51 ILE H 1 51 ILE HG12 4.620 . 4.620 3.221 3.005 3.544 . 0 0 "[ . 1 . 2]" 1
452 1 58 GLN HA 1 61 THR H 4.320 . 4.320 3.966 3.806 4.058 . 0 0 "[ . 1 . 2]" 1
453 1 94 LEU H 1 95 LEU HB2 5.050 . 5.050 4.547 4.443 4.658 . 0 0 "[ . 1 . 2]" 1
454 1 53 GLU H 1 54 MET H 4.250 . 4.250 2.649 2.535 2.784 . 0 0 "[ . 1 . 2]" 1
455 1 71 ASP HA 1 74 ARG H 4.490 . 4.490 3.793 3.688 3.852 . 0 0 "[ . 1 . 2]" 1
456 1 74 ARG H 1 75 ILE HB 4.720 . 4.720 4.628 4.529 4.694 . 0 0 "[ . 1 . 2]" 1
457 1 92 GLN HA 1 92 GLN HE21 5.100 . 5.100 4.454 3.919 4.887 . 0 0 "[ . 1 . 2]" 1
458 1 38 GLY H 1 39 GLY H 4.180 . 4.180 2.854 2.799 2.905 . 0 0 "[ . 1 . 2]" 1
459 1 36 LEU HB3 1 39 GLY H 4.460 . 4.460 4.463 4.425 4.477 0.017 3 0 "[ . 1 . 2]" 1
460 1 10 TRP HB2 1 11 GLY H 4.520 . 4.520 3.759 2.092 4.113 . 0 0 "[ . 1 . 2]" 1
461 1 11 GLY H 1 14 VAL MG1 4.810 . 4.810 4.756 3.965 4.829 0.019 18 0 "[ . 1 . 2]" 1
462 1 89 ALA HA 1 93 TYR H 4.840 . 4.840 4.814 4.692 4.857 0.017 19 0 "[ . 1 . 2]" 1
463 1 93 TYR H 1 93 TYR HB3 4.200 . 4.200 3.673 3.643 3.714 . 0 0 "[ . 1 . 2]" 1
464 1 95 LEU H 1 96 SER H 4.310 . 4.310 2.886 2.722 3.034 . 0 0 "[ . 1 . 2]" 1
465 1 95 LEU MD1 1 96 SER H 4.830 . 4.830 4.278 4.057 4.585 . 0 0 "[ . 1 . 2]" 1
466 1 82 ARG H 1 83 LEU MD2 4.250 . 4.250 3.682 3.263 4.029 . 0 0 "[ . 1 . 2]" 1
467 1 48 PHE H 1 48 PHE QD 4.280 . 4.280 4.183 4.173 4.189 . 0 0 "[ . 1 . 2]" 1
468 1 97 TYR H 1 98 ASP H 4.340 . 4.340 2.740 2.595 2.963 . 0 0 "[ . 1 . 2]" 1
469 1 30 THR MG 1 33 GLU H 4.270 . 4.270 4.042 3.600 4.233 . 0 0 "[ . 1 . 2]" 1
470 1 92 GLN H 1 94 LEU H 4.790 . 4.790 4.733 4.629 4.805 0.015 9 0 "[ . 1 . 2]" 1
471 1 92 GLN H 1 93 TYR QD 4.180 . 4.180 3.264 3.128 3.404 . 0 0 "[ . 1 . 2]" 1
472 1 88 GLU HA 1 92 GLN H 4.210 . 4.210 3.930 3.875 3.968 . 0 0 "[ . 1 . 2]" 1
473 1 21 LYS H 1 21 LYS QG 4.240 . 4.240 3.637 1.934 4.017 . 0 0 "[ . 1 . 2]" 1
474 1 108 LEU HG 1 109 GLU H 4.660 . 4.660 4.434 4.306 4.586 . 0 0 "[ . 1 . 2]" 1
475 1 112 VAL HA 1 114 MET H 4.930 . 4.930 4.438 4.360 4.507 . 0 0 "[ . 1 . 2]" 1
476 1 19 CYS H 1 20 ILE HB 5.110 . 5.110 5.050 4.850 5.113 0.003 16 0 "[ . 1 . 2]" 1
477 1 109 GLU HG3 1 110 LYS H 4.320 . 4.320 4.275 4.181 4.325 0.005 6 0 "[ . 1 . 2]" 1
478 1 13 ASN H 1 13 ASN HD22 4.330 . 4.330 3.248 2.935 3.650 . 0 0 "[ . 1 . 2]" 1
479 1 13 ASN H 1 13 ASN HD21 4.330 . 4.330 2.357 1.996 2.935 . 0 0 "[ . 1 . 2]" 1
480 1 86 LEU HA 1 90 TYR H 4.220 . 4.220 3.881 3.755 4.004 . 0 0 "[ . 1 . 2]" 1
481 1 12 PRO HB2 1 13 ASN H 4.270 . 4.270 3.173 2.863 3.352 . 0 0 "[ . 1 . 2]" 1
482 1 90 TYR QD 1 91 CYS H 4.150 . 4.150 3.057 2.779 3.299 . 0 0 "[ . 1 . 2]" 1
483 1 114 MET HG2 1 115 GLU H 4.300 . 4.300 2.486 2.349 2.623 . 0 0 "[ . 1 . 2]" 1
484 1 84 ALA MB 1 87 GLN H 4.750 . 4.750 4.604 4.541 4.683 . 0 0 "[ . 1 . 2]" 1
485 1 110 LYS HG2 1 111 GLU H 4.880 . 4.880 4.681 4.486 4.857 . 0 0 "[ . 1 . 2]" 1
486 1 36 LEU H 1 37 ILE HA 5.500 . 5.500 4.983 4.909 5.074 . 0 0 "[ . 1 . 2]" 1
487 1 36 LEU H 1 41 GLU HA 5.500 . 5.500 5.111 5.019 5.195 . 0 0 "[ . 1 . 2]" 1
488 1 47 PHE H 1 48 PHE H 4.290 . 4.290 2.616 2.564 2.737 . 0 0 "[ . 1 . 2]" 1
489 1 46 CYS HB2 1 47 PHE H 4.330 . 4.330 3.771 3.589 3.976 . 0 0 "[ . 1 . 2]" 1
490 1 46 CYS HB3 1 47 PHE H 4.330 . 4.330 2.742 2.563 2.892 . 0 0 "[ . 1 . 2]" 1
491 1 105 HIS H 1 105 HIS HD2 4.260 . 4.260 3.181 2.435 4.198 . 0 0 "[ . 1 . 2]" 1
492 1 43 ASP HA 1 45 ALA H 4.440 . 4.440 3.748 3.607 3.881 . 0 0 "[ . 1 . 2]" 1
493 1 44 LEU MD1 1 45 ALA H 4.880 . 4.880 4.416 3.988 4.662 . 0 0 "[ . 1 . 2]" 1
494 1 86 LEU MD2 1 87 GLN H 4.890 . 4.890 3.726 1.964 3.890 . 0 0 "[ . 1 . 2]" 1
495 1 36 LEU HB3 1 40 CYS H 4.750 . 4.750 4.790 4.777 4.800 0.050 7 0 "[ . 1 . 2]" 1
496 1 36 LEU MD2 1 40 CYS H 4.250 . 4.250 3.632 3.501 3.762 . 0 0 "[ . 1 . 2]" 1
497 1 37 ILE MG 1 40 CYS H 4.150 . 4.150 3.627 3.552 3.660 . 0 0 "[ . 1 . 2]" 1
498 1 115 GLU HG2 1 116 LYS H 5.500 . 5.500 4.698 4.576 4.904 . 0 0 "[ . 1 . 2]" 1
499 1 116 LYS H 1 116 LYS QE 5.500 . 5.500 4.489 4.056 4.975 . 0 0 "[ . 1 . 2]" 1
500 1 24 LEU H 1 31 MET ME 5.500 . 5.500 5.065 4.417 5.436 . 0 0 "[ . 1 . 2]" 1
501 1 106 ARG QD 1 107 ARG H 5.400 . 5.400 4.693 3.342 5.307 . 0 0 "[ . 1 . 2]" 1
502 1 107 ARG H 1 107 ARG QD 5.500 . 5.500 4.161 2.891 4.726 . 0 0 "[ . 1 . 2]" 1
503 1 107 ARG QD 1 108 LEU H 5.500 . 5.500 4.515 3.178 4.888 . 0 0 "[ . 1 . 2]" 1
504 1 120 GLU H 1 121 LYS QG 4.260 . 4.260 4.139 3.911 4.268 0.008 14 0 "[ . 1 . 2]" 1
505 1 24 LEU MD2 1 25 ARG H 4.750 . 4.750 4.665 4.589 4.743 . 0 0 "[ . 1 . 2]" 1
506 1 24 LEU MD1 1 25 ARG H 4.470 . 4.470 4.343 4.181 4.458 . 0 0 "[ . 1 . 2]" 1
507 1 86 LEU H 1 88 GLU H 4.510 . 4.510 4.239 4.128 4.326 . 0 0 "[ . 1 . 2]" 1
508 1 36 LEU MD2 1 37 ILE H 4.330 . 4.330 3.866 3.730 3.944 . 0 0 "[ . 1 . 2]" 1
509 1 113 LEU H 1 115 GLU H 4.150 . 4.150 4.222 4.207 4.234 0.084 20 0 "[ . 1 . 2]" 1
510 1 20 ILE H 1 20 ILE HG12 4.470 . 4.470 3.513 3.415 3.703 . 0 0 "[ . 1 . 2]" 1
511 1 29 ILE HB 1 30 THR H 4.490 . 4.490 4.392 4.354 4.416 . 0 0 "[ . 1 . 2]" 1
512 1 1 GLY QA 1 3 LEU H 4.160 . 4.160 3.453 3.156 4.059 . 0 0 "[ . 1 . 2]" 1
513 1 97 TYR HA 1 100 LEU H 5.090 . 5.090 3.772 3.320 4.559 . 0 0 "[ . 1 . 2]" 1
514 1 95 LEU H 1 95 LEU HG 4.230 . 4.230 4.182 4.035 4.249 0.019 12 0 "[ . 1 . 2]" 1
515 1 95 LEU H 1 95 LEU MD1 4.150 . 4.150 4.089 3.999 4.164 0.014 13 0 "[ . 1 . 2]" 1
516 1 77 LYS H 1 77 LYS QD 4.200 . 4.200 3.540 1.852 4.203 0.003 17 0 "[ . 1 . 2]" 1
517 1 77 LYS H 1 77 LYS HG3 4.280 . 4.280 2.651 1.991 3.958 . 0 0 "[ . 1 . 2]" 1
518 1 83 LEU HB3 1 84 ALA H 4.270 . 4.270 3.306 3.161 3.529 . 0 0 "[ . 1 . 2]" 1
519 1 83 LEU MD2 1 84 ALA H 4.220 . 4.220 3.903 3.178 4.136 . 0 0 "[ . 1 . 2]" 1
520 1 77 LYS QD 1 79 ALA H 5.430 . 5.430 4.997 4.569 5.462 0.032 3 0 "[ . 1 . 2]" 1
521 1 31 MET H 1 31 MET HG3 4.810 . 4.810 4.160 3.633 4.546 . 0 0 "[ . 1 . 2]" 1
522 1 17 LEU HB2 1 44 LEU H 5.000 . 5.000 4.467 3.711 4.985 . 0 0 "[ . 1 . 2]" 1
523 1 44 LEU H 1 44 LEU MD1 4.240 . 4.240 2.895 1.927 3.791 . 0 0 "[ . 1 . 2]" 1
524 1 80 GLN H 1 81 ASP H 4.140 . 4.140 2.787 2.442 2.925 . 0 0 "[ . 1 . 2]" 1
525 1 120 GLU HG2 1 121 LYS H 4.780 . 4.780 4.597 4.475 4.774 . 0 0 "[ . 1 . 2]" 1
526 1 41 GLU HG2 1 42 LEU H 4.440 . 4.440 3.739 3.030 4.377 . 0 0 "[ . 1 . 2]" 1
527 1 41 GLU HG3 1 42 LEU H 4.440 . 4.440 3.882 3.581 4.445 0.005 4 0 "[ . 1 . 2]" 1
528 1 36 LEU HG 1 42 LEU H 5.270 . 5.270 5.281 5.268 5.293 0.023 10 0 "[ . 1 . 2]" 1
529 1 9 ARG QB 1 10 TRP HE1 5.300 . 5.300 4.752 4.290 5.303 0.003 15 0 "[ . 1 . 2]" 1
530 1 61 THR H 1 62 ASP H 4.360 . 4.360 2.720 2.684 2.768 . 0 0 "[ . 1 . 2]" 1
531 1 52 ASN H 1 53 GLU H 4.420 . 4.420 2.699 2.654 2.731 . 0 0 "[ . 1 . 2]" 1
532 1 22 LYS H 1 112 VAL MG2 4.620 . 4.620 4.280 3.941 4.626 0.006 19 0 "[ . 1 . 2]" 1
533 1 48 PHE QE 1 49 ARG H 5.500 . 5.500 5.412 5.272 5.501 0.001 6 0 "[ . 1 . 2]" 1
534 1 67 ASN HA 1 70 ALA H 4.400 . 4.400 4.004 3.928 4.073 . 0 0 "[ . 1 . 2]" 1
535 1 69 LEU HG 1 70 ALA H 4.350 . 4.350 3.286 3.211 3.494 . 0 0 "[ . 1 . 2]" 1
536 1 72 MET HB2 1 73 LEU H 4.470 . 4.470 3.367 3.043 3.721 . 0 0 "[ . 1 . 2]" 1
537 1 72 MET HB3 1 73 LEU H 4.470 . 4.470 3.541 3.210 3.943 . 0 0 "[ . 1 . 2]" 1
538 1 73 LEU H 1 75 ILE QG 5.500 . 5.500 5.358 5.169 5.504 0.004 8 0 "[ . 1 . 2]" 1
539 1 50 LEU H 1 51 ILE H 4.360 . 4.360 2.829 2.752 2.875 . 0 0 "[ . 1 . 2]" 1
540 1 54 MET H 1 55 GLY H 4.390 . 4.390 2.879 2.589 3.079 . 0 0 "[ . 1 . 2]" 1
541 1 54 MET H 1 54 MET QG 4.440 . 4.440 3.402 2.701 3.943 . 0 0 "[ . 1 . 2]" 1
542 1 54 MET H 1 54 MET ME 5.500 . 5.500 5.040 4.307 5.508 0.008 14 0 "[ . 1 . 2]" 1
543 1 97 TYR H 1 99 SER H 4.420 . 4.420 3.964 3.895 4.036 . 0 0 "[ . 1 . 2]" 1
544 1 97 TYR HA 1 99 SER H 4.370 . 4.370 3.965 3.844 4.087 . 0 0 "[ . 1 . 2]" 1
545 1 99 SER H 1 100 LEU MD1 4.730 . 4.730 4.323 2.674 4.757 0.027 1 0 "[ . 1 . 2]" 1
546 1 59 GLN QB 1 59 GLN HE22 4.360 . 4.360 3.730 3.424 4.095 . 0 0 "[ . 1 . 2]" 1
547 1 15 GLN QB 1 15 GLN HE22 4.620 . 4.620 4.255 4.007 4.461 . 0 0 "[ . 1 . 2]" 1
548 1 29 ILE MD 1 92 GLN HE22 4.450 . 4.450 3.453 2.441 4.014 . 0 0 "[ . 1 . 2]" 1
549 1 53 GLU HA 1 55 GLY H 4.430 . 4.430 3.517 3.428 4.042 . 0 0 "[ . 1 . 2]" 1
550 1 36 LEU MD1 1 39 GLY H 5.200 . 5.200 5.213 5.201 5.223 0.023 6 0 "[ . 1 . 2]" 1
551 1 27 GLN HB2 1 28 GLY H 4.390 . 4.390 3.781 3.417 4.209 . 0 0 "[ . 1 . 2]" 1
552 1 28 GLY H 1 29 ILE HB 4.410 . 4.410 4.489 4.477 4.507 0.097 13 0 "[ . 1 . 2]" 1
553 1 93 TYR H 1 93 TYR QE 5.200 . 5.200 5.023 4.889 5.145 . 0 0 "[ . 1 . 2]" 1
554 1 95 LEU HB2 1 96 SER H 4.410 . 4.410 2.950 2.795 3.281 . 0 0 "[ . 1 . 2]" 1
555 1 97 TYR QD 1 98 ASP H 4.440 . 4.440 4.103 3.049 4.448 0.008 14 0 "[ . 1 . 2]" 1
556 1 25 ARG HG2 1 26 SER H 4.380 . 4.380 2.632 2.281 2.893 . 0 0 "[ . 1 . 2]" 1
557 1 25 ARG HG3 1 26 SER H 4.380 . 4.380 2.153 1.940 2.522 . 0 0 "[ . 1 . 2]" 1
558 1 90 TYR H 1 92 GLN H 4.370 . 4.370 3.862 3.812 3.917 . 0 0 "[ . 1 . 2]" 1
559 1 21 LYS H 1 24 LEU HB2 5.440 . 5.440 4.963 4.769 5.144 . 0 0 "[ . 1 . 2]" 1
560 1 101 SER H 1 104 GLU QB 4.630 . 4.630 3.898 2.989 4.605 . 0 0 "[ . 1 . 2]" 1
561 1 100 LEU HB2 1 101 SER H 5.080 . 5.080 3.038 1.864 4.134 . 0 0 "[ . 1 . 2]" 1
562 1 100 LEU HB3 1 101 SER H 5.080 . 5.080 3.266 2.570 3.893 . 0 0 "[ . 1 . 2]" 1
563 1 112 VAL H 1 114 MET H 4.640 . 4.640 4.231 4.148 4.361 . 0 0 "[ . 1 . 2]" 1
564 1 110 LYS H 1 112 VAL H 4.660 . 4.660 4.662 4.650 4.673 0.013 5 0 "[ . 1 . 2]" 1
565 1 106 ARG H 1 109 GLU HB3 5.240 . 5.240 4.769 4.694 4.904 . 0 0 "[ . 1 . 2]" 1
566 1 112 VAL H 1 113 LEU HB2 4.670 . 4.670 4.538 4.482 4.598 . 0 0 "[ . 1 . 2]" 1
567 1 114 MET HG3 1 115 GLU H 4.420 . 4.420 2.318 2.248 2.391 . 0 0 "[ . 1 . 2]" 1
568 1 115 GLU H 1 116 LYS QG 4.350 . 4.350 4.002 3.853 4.175 . 0 0 "[ . 1 . 2]" 1
569 1 112 VAL MG1 1 115 GLU H 4.630 . 4.630 4.571 4.505 4.632 0.002 7 0 "[ . 1 . 2]" 1
570 1 79 ALA HA 1 81 ASP H 5.130 . 5.130 4.109 3.357 4.536 . 0 0 "[ . 1 . 2]" 1
571 1 84 ALA HA 1 88 GLU H 4.460 . 4.460 4.208 4.114 4.279 . 0 0 "[ . 1 . 2]" 1
572 1 20 ILE HA 1 23 HIS H 4.420 . 4.420 3.572 3.395 3.774 . 0 0 "[ . 1 . 2]" 1
573 1 20 ILE H 1 20 ILE HG13 4.470 . 4.470 2.020 1.957 2.246 . 0 0 "[ . 1 . 2]" 1
574 1 13 ASN QB 1 14 VAL H 4.380 . 4.380 2.930 2.522 3.537 . 0 0 "[ . 1 . 2]" 1
575 1 29 ILE H 1 30 THR H 4.440 . 4.440 4.193 4.147 4.247 . 0 0 "[ . 1 . 2]" 1
576 1 27 GLN HA 1 29 ILE H 5.470 . 5.470 4.710 4.647 4.748 . 0 0 "[ . 1 . 2]" 1
577 1 24 LEU HB3 1 29 ILE H 4.700 . 4.700 4.120 3.972 4.328 . 0 0 "[ . 1 . 2]" 1
578 1 93 TYR H 1 95 LEU H 4.390 . 4.390 3.235 3.159 3.436 . 0 0 "[ . 1 . 2]" 1
579 1 34 LEU H 1 35 PRO HD3 4.890 . 4.890 4.202 3.764 4.417 . 0 0 "[ . 1 . 2]" 1
580 1 34 LEU H 1 35 PRO HD2 4.890 . 4.890 4.702 4.453 4.856 . 0 0 "[ . 1 . 2]" 1
581 1 84 ALA MB 1 86 LEU H 4.710 . 4.710 4.535 4.473 4.615 . 0 0 "[ . 1 . 2]" 1
582 1 119 LEU H 1 121 LYS H 4.940 . 4.940 4.508 4.057 4.940 0.000 1 0 "[ . 1 . 2]" 1
583 1 117 GLU QB 1 119 LEU H 4.400 . 4.400 4.241 4.181 4.294 . 0 0 "[ . 1 . 2]" 1
584 1 79 ALA H 1 82 ARG QG 5.500 . 5.500 4.523 3.130 5.496 . 0 0 "[ . 1 . 2]" 1
585 1 79 ALA H 1 83 LEU MD2 5.500 . 5.500 5.217 4.856 5.517 0.017 18 0 "[ . 1 . 2]" 1
586 1 31 MET H 1 31 MET HG2 4.810 . 4.810 4.650 4.144 4.772 . 0 0 "[ . 1 . 2]" 1
587 1 29 ILE MG 1 31 MET H 4.930 . 4.930 4.116 3.873 4.617 . 0 0 "[ . 1 . 2]" 1
588 1 42 LEU HB3 1 43 ASP H 4.350 . 4.350 4.052 4.041 4.080 . 0 0 "[ . 1 . 2]" 1
589 1 42 LEU HB2 1 43 ASP H 4.350 . 4.350 2.858 2.845 2.877 . 0 0 "[ . 1 . 2]" 1
590 1 23 HIS HD2 1 97 TYR H 4.890 . 4.890 3.591 2.709 4.865 . 0 0 "[ . 1 . 2]" 1
591 1 97 TYR H 1 97 TYR QD 4.350 . 4.350 4.150 4.009 4.200 . 0 0 "[ . 1 . 2]" 1
592 1 94 LEU HA 1 97 TYR H 4.350 . 4.350 3.616 3.466 3.944 . 0 0 "[ . 1 . 2]" 1
593 1 10 TRP HE1 1 15 GLN HA 4.380 . 4.380 2.334 1.994 2.855 . 0 0 "[ . 1 . 2]" 1
594 1 10 TRP HE1 1 116 LYS QE 4.650 . 4.650 3.471 2.802 4.203 . 0 0 "[ . 1 . 2]" 1
595 1 51 ILE HB 1 52 ASN H 4.460 . 4.460 2.536 2.495 2.589 . 0 0 "[ . 1 . 2]" 1
596 1 71 ASP HB2 1 72 MET H 4.420 . 4.420 3.320 2.650 3.724 . 0 0 "[ . 1 . 2]" 1
597 1 72 MET H 1 73 LEU MD2 4.450 . 4.450 3.934 3.789 4.061 . 0 0 "[ . 1 . 2]" 1
598 1 66 TRP H 1 66 TRP HE1 5.210 . 5.210 5.164 4.789 5.223 0.013 17 0 "[ . 1 . 2]" 1
599 1 60 VAL MG1 1 66 TRP HE1 4.550 . 4.550 2.702 2.518 2.977 . 0 0 "[ . 1 . 2]" 1
600 1 36 LEU HA 1 41 GLU H 4.870 . 4.870 4.767 4.695 4.833 . 0 0 "[ . 1 . 2]" 1
601 1 14 VAL MG2 1 16 ARG H 5.500 . 5.500 5.338 5.170 5.507 0.007 17 0 "[ . 1 . 2]" 1
602 1 60 VAL H 1 60 VAL MG1 4.590 . 4.590 3.758 3.753 3.763 . 0 0 "[ . 1 . 2]" 1
603 1 69 LEU HA 1 73 LEU H 5.500 . 5.500 5.056 4.899 5.158 . 0 0 "[ . 1 . 2]" 1
604 1 70 ALA MB 1 73 LEU H 4.620 . 4.620 4.234 4.206 4.268 . 0 0 "[ . 1 . 2]" 1
605 1 51 ILE H 1 52 ASN H 4.500 . 4.500 2.755 2.610 2.802 . 0 0 "[ . 1 . 2]" 1
606 1 61 THR H 1 63 LEU H 4.500 . 4.500 4.400 4.308 4.431 . 0 0 "[ . 1 . 2]" 1
607 1 67 ASN H 1 67 ASN HD22 4.640 . 4.640 3.915 3.002 4.459 . 0 0 "[ . 1 . 2]" 1
608 1 73 LEU MD2 1 74 ARG H 4.500 . 4.500 4.286 4.191 4.328 . 0 0 "[ . 1 . 2]" 1
609 1 15 GLN HE21 1 109 GLU HA 4.610 . 4.610 3.674 3.176 4.615 0.005 5 0 "[ . 1 . 2]" 1
610 1 15 GLN HE22 1 19 CYS HA 5.500 . 5.500 4.236 3.258 5.109 . 0 0 "[ . 1 . 2]" 1
611 1 15 GLN HE22 1 109 GLU HA 4.610 . 4.610 3.644 3.016 4.535 . 0 0 "[ . 1 . 2]" 1
612 1 29 ILE MG 1 92 GLN HE22 5.490 . 5.490 3.980 3.147 4.766 . 0 0 "[ . 1 . 2]" 1
613 1 25 ARG H 1 28 GLY H 5.210 . 5.210 5.015 4.935 5.098 . 0 0 "[ . 1 . 2]" 1
614 1 28 GLY H 1 29 ILE MD 4.630 . 4.630 4.224 3.277 4.647 0.017 11 0 "[ . 1 . 2]" 1
615 1 10 TRP H 1 11 GLY H 4.760 . 4.760 2.790 2.194 4.608 . 0 0 "[ . 1 . 2]" 1
616 1 65 LYS H 1 67 ASN H 5.080 . 5.080 4.346 4.284 4.408 . 0 0 "[ . 1 . 2]" 1
617 1 67 ASN H 1 67 ASN HD21 4.640 . 4.640 3.134 1.990 4.514 . 0 0 "[ . 1 . 2]" 1
618 1 95 LEU HA 1 98 ASP H 4.640 . 4.640 3.575 3.407 3.841 . 0 0 "[ . 1 . 2]" 1
619 1 24 LEU HA 1 26 SER H 4.610 . 4.610 4.519 4.443 4.595 . 0 0 "[ . 1 . 2]" 1
620 1 90 TYR QD 1 92 GLN H 5.500 . 5.500 5.044 4.945 5.125 . 0 0 "[ . 1 . 2]" 1
621 1 37 ILE HB 1 38 GLY H 4.500 . 4.500 4.222 4.172 4.259 . 0 0 "[ . 1 . 2]" 1
622 1 22 LYS QD 1 109 GLU H 5.500 . 5.500 5.424 4.947 5.509 0.009 2 0 "[ . 1 . 2]" 1
623 1 100 LEU MD1 1 101 SER H 4.770 . 4.770 4.402 3.827 4.817 0.047 1 0 "[ . 1 . 2]" 1
624 1 12 PRO QG 1 13 ASN H 4.560 . 4.560 2.196 1.954 2.440 . 0 0 "[ . 1 . 2]" 1
625 1 111 GLU HG3 1 112 VAL H 5.220 . 5.220 4.728 4.635 4.832 . 0 0 "[ . 1 . 2]" 1
626 1 112 VAL H 1 114 MET HG2 5.270 . 5.270 4.544 4.490 4.734 . 0 0 "[ . 1 . 2]" 1
627 1 24 LEU MD2 1 27 GLN H 5.330 . 5.330 5.054 4.839 5.331 0.001 20 0 "[ . 1 . 2]" 1
628 1 27 GLN H 1 29 ILE MD 5.040 . 5.040 4.269 3.667 4.621 . 0 0 "[ . 1 . 2]" 1
629 1 45 ALA H 1 46 CYS HB3 5.500 . 5.500 5.130 4.901 5.387 . 0 0 "[ . 1 . 2]" 1
630 1 23 HIS HB2 1 24 LEU H 4.550 . 4.550 3.907 3.849 4.024 . 0 0 "[ . 1 . 2]" 1
631 1 23 HIS HB3 1 24 LEU H 4.550 . 4.550 2.769 2.538 3.769 . 0 0 "[ . 1 . 2]" 1
632 1 108 LEU H 1 109 GLU HA 5.480 . 5.480 5.272 5.216 5.316 . 0 0 "[ . 1 . 2]" 1
633 1 23 HIS H 1 97 TYR QD 5.500 . 5.500 5.037 4.180 5.515 0.015 10 0 "[ . 1 . 2]" 1
634 1 36 LEU H 1 37 ILE H 4.610 . 4.610 4.415 4.364 4.469 . 0 0 "[ . 1 . 2]" 1
635 1 101 SER H 1 104 GLU H 4.830 . 4.830 4.116 3.613 4.528 . 0 0 "[ . 1 . 2]" 1
636 1 104 GLU H 1 106 ARG H 4.640 . 4.640 4.560 4.522 4.627 . 0 0 "[ . 1 . 2]" 1
637 1 100 LEU MD2 1 104 GLU H 4.780 . 4.780 4.350 3.614 4.797 0.017 6 0 "[ . 1 . 2]" 1
638 1 27 GLN HB2 1 29 ILE H 4.590 . 4.590 3.914 3.317 4.602 0.012 13 0 "[ . 1 . 2]" 1
639 1 77 LYS H 1 78 THR MG 5.190 . 5.190 4.574 4.085 4.907 . 0 0 "[ . 1 . 2]" 1
640 1 77 LYS H 1 79 ALA H 4.540 . 4.540 4.285 4.142 4.401 . 0 0 "[ . 1 . 2]" 1
641 1 79 ALA H 1 80 GLN HA 5.410 . 5.410 5.271 5.098 5.404 . 0 0 "[ . 1 . 2]" 1
642 1 79 ALA H 1 82 ARG QD 5.470 . 5.470 3.933 2.796 4.966 . 0 0 "[ . 1 . 2]" 1
643 1 42 LEU HG 1 43 ASP H 5.130 . 5.130 5.014 4.975 5.027 . 0 0 "[ . 1 . 2]" 1
644 1 78 THR HB 1 80 GLN H 5.500 . 5.500 5.461 5.285 5.527 0.027 18 0 "[ . 1 . 2]" 1
645 1 78 THR HA 1 80 GLN H 5.500 . 5.500 5.303 5.018 5.515 0.015 16 0 "[ . 1 . 2]" 1
646 1 42 LEU H 1 42 LEU HG 4.510 . 4.510 4.006 3.999 4.036 . 0 0 "[ . 1 . 2]" 1
647 1 10 TRP HE1 1 15 GLN H 4.520 . 4.520 3.269 3.063 3.508 . 0 0 "[ . 1 . 2]" 1
648 1 9 ARG HA 1 10 TRP HE1 5.500 . 5.500 5.337 5.133 5.525 0.025 6 0 "[ . 1 . 2]" 1
649 1 10 TRP HE1 1 18 ALA MB 4.630 . 4.630 3.989 3.838 4.247 . 0 0 "[ . 1 . 2]" 1
650 1 62 ASP H 1 63 LEU H 4.540 . 4.540 2.877 2.810 2.933 . 0 0 "[ . 1 . 2]" 1
651 1 61 THR MG 1 62 ASP H 4.490 . 4.490 1.836 1.811 1.875 . 0 0 "[ . 1 . 2]" 1
652 1 41 GLU H 1 41 GLU HB3 3.650 . 3.650 3.406 3.305 3.470 . 0 0 "[ . 1 . 2]" 1
653 1 10 TRP HB3 1 11 GLY H 4.520 . 4.520 4.305 3.482 4.452 . 0 0 "[ . 1 . 2]" 1
654 1 23 HIS H 1 23 HIS HD2 5.170 . 5.170 5.007 3.488 5.173 0.003 9 0 "[ . 1 . 2]" 1
655 1 25 ARG H 1 27 GLN H 4.540 . 4.540 3.839 3.798 3.879 . 0 0 "[ . 1 . 2]" 1
656 1 25 ARG QD 1 26 SER H 4.830 . 4.830 4.094 3.892 4.193 . 0 0 "[ . 1 . 2]" 1
657 1 47 PHE H 1 47 PHE QD 4.300 . 4.300 3.526 2.985 3.861 . 0 0 "[ . 1 . 2]" 1
658 1 9 ARG H 1 9 ARG QD 4.070 . 4.070 3.236 2.437 4.080 0.010 6 0 "[ . 1 . 2]" 1
659 1 94 LEU H 1 94 LEU HB3 4.100 . 4.100 3.392 3.091 3.584 . 0 0 "[ . 1 . 2]" 1
660 1 61 THR H 1 61 THR MG 4.370 . 4.370 2.048 1.912 2.181 . 0 0 "[ . 1 . 2]" 1
661 1 67 ASN H 1 67 ASN HB2 3.680 . 3.680 2.516 2.134 3.585 . 0 0 "[ . 1 . 2]" 1
662 1 67 ASN HB2 1 68 LYS H 4.150 . 4.150 2.710 2.520 3.549 . 0 0 "[ . 1 . 2]" 1
663 1 82 ARG H 1 83 LEU H 4.310 . 4.310 2.820 2.735 2.918 . 0 0 "[ . 1 . 2]" 1
664 1 82 ARG H 1 82 ARG QB 3.840 . 3.840 2.242 2.035 2.623 . 0 0 "[ . 1 . 2]" 1
665 1 83 LEU MD1 1 84 ALA H 4.800 . 4.800 4.576 4.278 4.681 . 0 0 "[ . 1 . 2]" 1
666 1 98 ASP H 1 98 ASP QB 3.780 . 3.780 2.297 2.140 2.758 . 0 0 "[ . 1 . 2]" 1
667 1 99 SER QB 1 100 LEU H 4.200 . 4.200 3.182 2.731 3.720 . 0 0 "[ . 1 . 2]" 1
668 1 100 LEU HA 1 101 SER H 3.300 . 3.300 2.437 2.204 2.680 . 0 0 "[ . 1 . 2]" 1
669 1 102 PRO HA 1 105 HIS H 4.120 . 4.120 3.388 3.216 3.719 . 0 0 "[ . 1 . 2]" 1
670 1 106 ARG H 1 106 ARG QD 4.380 . 4.380 3.944 2.786 4.383 0.003 18 0 "[ . 1 . 2]" 1
671 1 111 GLU HG2 1 112 VAL H 5.220 . 5.220 4.763 4.618 4.856 . 0 0 "[ . 1 . 2]" 1
672 1 112 VAL H 1 115 GLU HG3 5.500 . 5.500 4.600 4.310 5.026 . 0 0 "[ . 1 . 2]" 1
673 1 116 LYS HB3 1 117 GLU H 4.280 . 4.280 3.979 3.859 4.089 . 0 0 "[ . 1 . 2]" 1
674 1 94 LEU HA 1 96 SER H 4.930 . 4.930 4.515 3.874 4.879 . 0 0 "[ . 1 . 2]" 1
675 1 20 ILE H 1 20 ILE HB 3.850 . 3.850 2.589 2.482 2.626 . 0 0 "[ . 1 . 2]" 1
676 1 44 LEU HA 1 48 PHE H 4.680 . 4.680 3.754 3.571 3.910 . 0 0 "[ . 1 . 2]" 1
677 1 54 MET ME 1 65 LYS H 4.680 . 4.680 4.477 3.812 4.707 0.027 10 0 "[ . 1 . 2]" 1
678 1 87 GLN HA 1 89 ALA H 4.690 . 4.690 4.365 4.321 4.401 . 0 0 "[ . 1 . 2]" 1
679 1 96 SER QB 1 97 TYR H 4.800 . 4.800 2.632 2.229 3.288 . 0 0 "[ . 1 . 2]" 1
680 1 54 MET ME 1 69 LEU H 3.410 . 3.410 2.468 1.946 2.833 . 0 0 "[ . 1 . 2]" 1
681 1 62 ASP QB 1 63 LEU H 4.700 . 4.700 2.371 2.346 2.407 . 0 0 "[ . 1 . 2]" 1
682 1 81 ASP HA 1 84 ALA H 4.650 . 4.650 3.173 3.045 3.354 . 0 0 "[ . 1 . 2]" 1
683 1 20 ILE MG 1 24 LEU H 4.750 . 4.750 3.808 3.567 4.049 . 0 0 "[ . 1 . 2]" 1
684 1 37 ILE H 1 39 GLY H 4.650 . 4.650 4.062 4.007 4.226 . 0 0 "[ . 1 . 2]" 1
685 1 42 LEU H 1 43 ASP H 4.650 . 4.650 4.392 4.388 4.397 . 0 0 "[ . 1 . 2]" 1
686 1 121 LYS H 1 121 LYS HA 2.930 . 2.930 2.843 2.789 2.920 . 0 0 "[ . 1 . 2]" 1
687 1 47 PHE H 1 73 LEU MD1 4.760 . 4.760 3.182 2.899 3.497 . 0 0 "[ . 1 . 2]" 1
688 1 60 VAL MG1 1 61 THR H 4.800 . 4.800 3.219 3.131 3.374 . 0 0 "[ . 1 . 2]" 1
689 1 60 VAL MG2 1 61 THR H 4.810 . 4.810 3.678 3.621 3.742 . 0 0 "[ . 1 . 2]" 1
690 1 54 MET ME 1 70 ALA H 5.000 . 5.000 4.459 4.199 4.665 . 0 0 "[ . 1 . 2]" 1
691 1 69 LEU H 1 71 ASP H 4.720 . 4.720 4.000 3.878 4.086 . 0 0 "[ . 1 . 2]" 1
692 1 100 LEU H 1 101 SER H 4.690 . 4.690 4.576 4.452 4.637 . 0 0 "[ . 1 . 2]" 1
693 1 13 ASN HD21 1 45 ALA MB 5.500 . 5.500 4.895 4.032 5.184 . 0 0 "[ . 1 . 2]" 1
694 1 13 ASN HD22 1 45 ALA MB 5.500 . 5.500 5.312 4.976 5.503 0.003 7 0 "[ . 1 . 2]" 1
695 1 75 ILE MG 1 79 ALA H 4.710 . 4.710 4.550 4.435 4.669 . 0 0 "[ . 1 . 2]" 1
696 1 10 TRP H 1 14 VAL MG1 4.980 . 4.980 4.522 4.439 4.756 . 0 0 "[ . 1 . 2]" 1
697 1 10 TRP HE1 1 116 LYS QG 5.300 . 5.300 4.178 3.371 4.676 . 0 0 "[ . 1 . 2]" 1
698 1 10 TRP HE1 1 112 VAL MG1 4.940 . 4.940 3.975 3.880 4.108 . 0 0 "[ . 1 . 2]" 1
699 1 10 TRP HE1 1 113 LEU HA 5.490 . 5.490 4.611 4.407 4.953 . 0 0 "[ . 1 . 2]" 1
700 1 37 ILE MD 1 90 TYR H 4.770 . 4.770 4.349 4.172 4.609 . 0 0 "[ . 1 . 2]" 1
701 1 15 GLN HE21 1 19 CYS HA 5.500 . 5.500 4.326 3.684 5.432 . 0 0 "[ . 1 . 2]" 1
702 1 15 GLN HE21 1 109 GLU HG3 4.610 . 4.610 3.208 2.909 3.546 . 0 0 "[ . 1 . 2]" 1
703 1 15 GLN HE22 1 112 VAL MG1 5.380 . 5.380 4.000 2.253 5.184 . 0 0 "[ . 1 . 2]" 1
704 1 15 GLN HE21 1 112 VAL MG1 5.380 . 5.380 3.699 3.368 4.932 . 0 0 "[ . 1 . 2]" 1
705 1 15 GLN HE21 1 18 ALA MB 4.800 . 4.800 3.786 3.566 4.812 0.012 5 0 "[ . 1 . 2]" 1
706 1 15 GLN HE22 1 18 ALA MB 4.800 . 4.800 4.137 2.937 4.803 0.003 14 0 "[ . 1 . 2]" 1
707 1 15 GLN HE22 1 109 GLU HG3 4.610 . 4.610 3.363 2.858 3.774 . 0 0 "[ . 1 . 2]" 1
708 1 114 MET H 1 117 GLU HG3 4.880 . 4.880 4.856 4.737 4.900 0.020 3 0 "[ . 1 . 2]" 1
709 1 114 MET H 1 114 MET ME 3.910 . 3.910 3.640 3.523 3.726 . 0 0 "[ . 1 . 2]" 1
710 1 110 LYS H 1 113 LEU HB2 4.850 . 4.850 4.470 4.379 4.526 . 0 0 "[ . 1 . 2]" 1
711 1 22 LYS QD 1 23 HIS H 5.220 . 5.220 4.542 4.278 4.791 . 0 0 "[ . 1 . 2]" 1
712 1 21 LYS QB 1 24 LEU H 5.310 . 5.310 5.032 4.924 5.146 . 0 0 "[ . 1 . 2]" 1
713 1 22 LYS HA 1 24 LEU H 5.140 . 5.140 4.565 4.475 4.636 . 0 0 "[ . 1 . 2]" 1
714 1 24 LEU H 1 26 SER QB 5.500 . 5.500 5.015 4.856 5.194 . 0 0 "[ . 1 . 2]" 1
715 1 23 HIS HD2 1 24 LEU H 4.610 . 4.610 4.141 3.042 4.462 . 0 0 "[ . 1 . 2]" 1
716 1 22 LYS H 1 24 LEU H 4.620 . 4.620 4.139 3.963 4.262 . 0 0 "[ . 1 . 2]" 1
717 1 30 THR H 1 31 MET HA 5.500 . 5.500 5.318 5.187 5.440 . 0 0 "[ . 1 . 2]" 1
718 1 38 GLY H 1 40 CYS H 4.690 . 4.690 4.146 4.120 4.161 . 0 0 "[ . 1 . 2]" 1
719 1 40 CYS H 1 41 GLU H 4.440 . 4.440 4.454 4.448 4.460 0.020 7 0 "[ . 1 . 2]" 1
720 1 36 LEU HG 1 40 CYS H 4.640 . 4.640 2.830 2.803 2.865 . 0 0 "[ . 1 . 2]" 1
721 1 36 LEU MD2 1 41 GLU H 4.970 . 4.970 4.728 4.673 4.803 . 0 0 "[ . 1 . 2]" 1
722 1 43 ASP H 1 44 LEU H 4.670 . 4.670 4.303 4.248 4.330 . 0 0 "[ . 1 . 2]" 1
723 1 59 GLN HE21 1 60 VAL H 5.460 . 5.460 4.810 4.653 4.950 . 0 0 "[ . 1 . 2]" 1
724 1 49 ARG QB 1 50 LEU H 3.830 . 3.830 2.656 2.458 3.410 . 0 0 "[ . 1 . 2]" 1
725 1 57 MET H 1 60 VAL HB 5.500 . 5.500 5.514 5.506 5.522 0.022 10 0 "[ . 1 . 2]" 1
726 1 67 ASN H 1 70 ALA MB 5.500 . 5.500 4.482 4.397 4.564 . 0 0 "[ . 1 . 2]" 1
727 1 66 TRP HA 1 68 LYS H 4.750 . 4.750 4.244 4.185 4.464 . 0 0 "[ . 1 . 2]" 1
728 1 69 LEU HA 1 72 MET H 4.460 . 4.460 3.803 3.713 3.995 . 0 0 "[ . 1 . 2]" 1
729 1 73 LEU H 1 74 ARG H 3.530 . 3.530 2.560 2.503 2.582 . 0 0 "[ . 1 . 2]" 1
730 1 72 MET HG2 1 73 LEU H 5.500 . 5.500 5.128 4.802 5.455 . 0 0 "[ . 1 . 2]" 1
731 1 72 MET HG3 1 73 LEU H 5.500 . 5.500 5.029 4.656 5.400 . 0 0 "[ . 1 . 2]" 1
732 1 76 PRO HD2 1 79 ALA H 5.500 . 5.500 5.520 5.503 5.533 0.033 11 0 "[ . 1 . 2]" 1
733 1 118 ILE H 1 119 LEU H 3.050 . 3.050 2.646 2.623 2.669 . 0 0 "[ . 1 . 2]" 1
734 1 82 ARG H 1 84 ALA H 4.740 . 4.740 4.482 4.371 4.689 . 0 0 "[ . 1 . 2]" 1
735 1 119 LEU H 1 120 GLU HG2 5.500 . 5.500 5.231 4.763 5.463 . 0 0 "[ . 1 . 2]" 1
736 1 119 LEU H 1 120 GLU HG3 5.500 . 5.500 4.670 3.947 5.143 . 0 0 "[ . 1 . 2]" 1
737 1 84 ALA MB 1 88 GLU H 4.660 . 4.660 4.637 4.558 4.675 0.015 11 0 "[ . 1 . 2]" 1
738 1 89 ALA H 1 90 TYR QD 4.760 . 4.760 4.194 4.008 4.382 . 0 0 "[ . 1 . 2]" 1
739 1 14 VAL H 1 17 LEU H 5.170 . 5.170 4.821 4.691 4.916 . 0 0 "[ . 1 . 2]" 1
740 1 89 ALA H 1 92 GLN H 4.780 . 4.780 4.746 4.687 4.788 0.008 3 0 "[ . 1 . 2]" 1
741 1 29 ILE MG 1 92 GLN HE21 4.710 . 4.710 4.168 3.432 4.711 0.001 7 0 "[ . 1 . 2]" 1
742 1 24 LEU MD2 1 93 TYR H 5.340 . 5.340 4.616 4.296 5.252 . 0 0 "[ . 1 . 2]" 1
743 1 81 ASP HA 1 83 LEU H 4.790 . 4.790 3.787 3.597 4.254 . 0 0 "[ . 1 . 2]" 1
744 1 82 ARG QB 1 83 LEU H 4.260 . 4.260 3.019 2.564 3.527 . 0 0 "[ . 1 . 2]" 1
745 1 94 LEU HA 1 98 ASP H 4.690 . 4.690 4.159 3.520 4.445 . 0 0 "[ . 1 . 2]" 1
746 1 98 ASP HA 1 100 LEU H 4.780 . 4.780 4.041 3.596 4.455 . 0 0 "[ . 1 . 2]" 1
747 1 100 LEU H 1 104 GLU QG 5.500 . 5.500 5.449 5.038 5.534 0.034 15 0 "[ . 1 . 2]" 1
748 1 66 TRP HD1 1 67 ASN H 5.270 . 5.270 5.138 4.860 5.217 . 0 0 "[ . 1 . 2]" 1
749 1 102 PRO HA 1 104 GLU H 5.460 . 5.460 4.603 4.317 4.959 . 0 0 "[ . 1 . 2]" 1
750 1 52 ASN QB 1 53 GLU H 3.870 . 3.870 2.582 2.429 2.745 . 0 0 "[ . 1 . 2]" 1
751 1 20 ILE HB 1 21 LYS H 3.800 . 3.800 2.591 2.386 2.745 . 0 0 "[ . 1 . 2]" 1
752 1 108 LEU H 1 109 GLU H 3.470 . 3.470 2.663 2.592 2.720 . 0 0 "[ . 1 . 2]" 1
753 1 109 GLU HB3 1 110 LYS H 3.610 . 3.610 2.314 2.301 2.326 . 0 0 "[ . 1 . 2]" 1
754 1 78 THR H 1 78 THR HB 4.060 . 4.060 3.481 3.380 3.568 . 0 0 "[ . 1 . 2]" 1
755 1 64 LYS H 1 65 LYS QB 4.930 . 4.930 4.539 4.355 4.772 . 0 0 "[ . 1 . 2]" 1
756 1 4 GLY H 1 5 SER H 4.220 . 4.220 3.306 2.164 4.198 . 0 0 "[ . 1 . 2]" 1
757 1 5 SER H 1 6 LEU H 3.950 . 3.950 3.111 2.009 3.876 . 0 0 "[ . 1 . 2]" 1
758 1 26 SER H 1 27 GLN H 3.430 . 3.430 2.528 2.489 2.557 . 0 0 "[ . 1 . 2]" 1
759 1 110 LYS H 1 110 LYS QE 4.710 . 4.710 4.384 3.829 4.711 0.001 17 0 "[ . 1 . 2]" 1
760 1 75 ILE HB 1 75 ILE MD 3.430 . 3.430 2.283 2.235 2.380 . 0 0 "[ . 1 . 2]" 1
761 1 40 CYS HB2 1 75 ILE MD 4.990 . 4.990 4.744 4.559 4.936 . 0 0 "[ . 1 . 2]" 1
762 1 70 ALA HA 1 75 ILE MD 3.980 . 3.980 3.225 3.076 3.413 . 0 0 "[ . 1 . 2]" 1
763 1 75 ILE MD 1 75 ILE MG 3.370 . 3.370 3.238 3.213 3.256 . 0 0 "[ . 1 . 2]" 1
764 1 117 GLU HA 1 118 ILE MD 4.510 . 4.510 4.366 4.214 4.510 . 0 0 "[ . 1 . 2]" 1
765 1 118 ILE HB 1 118 ILE MD 3.300 . 3.300 2.111 2.079 2.137 . 0 0 "[ . 1 . 2]" 1
766 1 118 ILE HA 1 118 ILE MD 3.620 . 3.620 3.490 3.402 3.569 . 0 0 "[ . 1 . 2]" 1
767 1 20 ILE MD 1 48 PHE QE 5.500 . 5.500 4.615 4.265 4.878 . 0 0 "[ . 1 . 2]" 1
768 1 51 ILE MD 1 66 TRP HE1 5.500 . 5.500 4.780 4.282 5.059 . 0 0 "[ . 1 . 2]" 1
769 1 20 ILE MD 1 48 PHE QD 4.540 . 4.540 3.441 2.874 3.874 . 0 0 "[ . 1 . 2]" 1
770 1 20 ILE MD 1 97 TYR QD 4.870 . 4.870 4.047 3.422 4.876 0.006 12 0 "[ . 1 . 2]" 1
771 1 20 ILE MD 1 45 ALA HA 3.940 . 3.940 3.486 3.187 3.689 . 0 0 "[ . 1 . 2]" 1
772 1 20 ILE HA 1 20 ILE MD 4.400 . 4.400 3.903 3.854 3.921 . 0 0 "[ . 1 . 2]" 1
773 1 37 ILE HA 1 37 ILE MD 4.090 . 4.090 3.292 3.021 3.626 . 0 0 "[ . 1 . 2]" 1
774 1 37 ILE MD 1 86 LEU HB2 4.110 . 4.110 1.949 1.915 1.979 . 0 0 "[ . 1 . 2]" 1
775 1 37 ILE HB 1 37 ILE MD 3.470 . 3.470 2.082 1.982 2.267 . 0 0 "[ . 1 . 2]" 1
776 1 37 ILE MD 1 86 LEU HB3 4.110 . 4.110 3.413 2.742 3.523 . 0 0 "[ . 1 . 2]" 1
777 1 20 ILE MD 1 44 LEU QB 4.410 . 4.410 1.993 1.807 2.314 . 0 0 "[ . 1 . 2]" 1
778 1 37 ILE MD 1 42 LEU MD2 3.930 . 3.930 3.899 3.743 3.946 0.016 16 0 "[ . 1 . 2]" 1
779 1 47 PHE QD 1 51 ILE MD 4.130 . 4.130 3.226 2.915 3.596 . 0 0 "[ . 1 . 2]" 1
780 1 51 ILE MD 1 66 TRP HZ2 4.900 . 4.900 2.635 2.240 2.908 . 0 0 "[ . 1 . 2]" 1
781 1 20 ILE MG 1 44 LEU QB 4.470 . 4.470 3.206 2.919 3.522 . 0 0 "[ . 1 . 2]" 1
782 1 20 ILE MG 1 44 LEU HG 4.530 . 4.530 2.941 2.068 4.297 . 0 0 "[ . 1 . 2]" 1
783 1 51 ILE MG 1 57 MET HA 4.550 . 4.550 1.883 1.812 1.936 . 0 0 "[ . 1 . 2]" 1
784 1 57 MET ME 1 66 TRP HZ2 4.350 . 4.350 1.900 1.816 1.970 . 0 0 "[ . 1 . 2]" 1
785 1 31 MET ME 1 93 TYR QD 4.300 . 4.300 3.965 3.409 4.214 . 0 0 "[ . 1 . 2]" 1
786 1 57 MET ME 1 66 TRP HH2 3.990 . 3.990 3.665 3.506 3.842 . 0 0 "[ . 1 . 2]" 1
787 1 31 MET ME 1 93 TYR QE 4.060 . 4.060 3.979 3.498 4.063 0.003 19 0 "[ . 1 . 2]" 1
788 1 57 MET ME 1 90 TYR QE 3.830 . 3.830 2.378 2.257 2.537 . 0 0 "[ . 1 . 2]" 1
789 1 31 MET ME 1 32 ASP H 5.500 . 5.500 5.506 5.487 5.526 0.026 5 0 "[ . 1 . 2]" 1
790 1 31 MET HA 1 31 MET ME 4.350 . 4.350 4.138 4.061 4.352 0.002 12 0 "[ . 1 . 2]" 1
791 1 57 MET ME 1 91 CYS HA 5.500 . 5.500 5.525 5.502 5.545 0.045 7 0 "[ . 1 . 2]" 1
792 1 57 MET ME 1 58 GLN HA 5.150 . 5.150 4.370 4.097 4.579 . 0 0 "[ . 1 . 2]" 1
793 1 21 LYS HA 1 31 MET ME 4.160 . 4.160 2.438 1.911 3.026 . 0 0 "[ . 1 . 2]" 1
794 1 57 MET HA 1 57 MET ME 4.500 . 4.500 2.547 1.910 2.951 . 0 0 "[ . 1 . 2]" 1
795 1 114 MET HA 1 114 MET ME 4.320 . 4.320 4.249 4.090 4.321 0.001 17 0 "[ . 1 . 2]" 1
796 1 111 GLU HA 1 114 MET ME 3.690 . 3.690 2.663 2.348 3.088 . 0 0 "[ . 1 . 2]" 1
797 1 31 MET ME 1 44 LEU QB 3.900 . 3.900 3.875 3.783 3.915 0.015 3 0 "[ . 1 . 2]" 1
798 1 21 LYS QG 1 31 MET ME 3.710 . 3.710 2.944 2.283 3.717 0.007 19 0 "[ . 1 . 2]" 1
799 1 24 LEU MD2 1 31 MET ME 4.520 . 4.520 4.173 3.673 4.527 0.007 2 0 "[ . 1 . 2]" 1
800 1 31 MET ME 1 44 LEU MD2 3.540 . 3.540 2.217 1.879 2.839 . 0 0 "[ . 1 . 2]" 1
801 1 57 MET ME 1 60 VAL HB 4.070 . 4.070 1.893 1.824 2.052 . 0 0 "[ . 1 . 2]" 1
802 1 57 MET ME 1 61 THR MG 4.060 . 4.060 2.672 2.492 2.811 . 0 0 "[ . 1 . 2]" 1
803 1 70 ALA MB 1 75 ILE MD 3.400 . 3.400 2.968 2.861 3.079 . 0 0 "[ . 1 . 2]" 1
804 1 70 ALA MB 1 75 ILE HB 3.410 . 3.410 2.983 2.740 3.152 . 0 0 "[ . 1 . 2]" 1
805 1 79 ALA MB 1 82 ARG QD 4.410 . 4.410 2.485 1.841 3.441 . 0 0 "[ . 1 . 2]" 1
806 1 118 ILE HA 1 118 ILE MG 3.010 . 3.010 2.247 2.217 2.276 . 0 0 "[ . 1 . 2]" 1
807 1 89 ALA MB 1 90 TYR QD 4.250 . 4.250 4.268 4.180 4.287 0.037 12 0 "[ . 1 . 2]" 1
808 1 16 ARG HA 1 18 ALA MB 5.170 . 5.170 4.920 4.765 5.017 . 0 0 "[ . 1 . 2]" 1
809 1 70 ALA MB 1 83 LEU HA 4.850 . 4.850 4.881 4.864 4.927 0.077 16 0 "[ . 1 . 2]" 1
810 1 76 PRO HD2 1 79 ALA MB 4.390 . 4.390 4.115 3.930 4.270 . 0 0 "[ . 1 . 2]" 1
811 1 81 ASP HB3 1 84 ALA MB 4.780 . 4.780 4.187 3.137 4.784 0.004 10 0 "[ . 1 . 2]" 1
812 1 18 ALA MB 1 112 VAL MG2 3.460 . 3.460 3.011 2.750 3.138 . 0 0 "[ . 1 . 2]" 1
813 1 37 ILE MD 1 89 ALA MB 3.330 . 3.330 2.180 2.084 2.348 . 0 0 "[ . 1 . 2]" 1
814 1 86 LEU MD1 1 89 ALA MB 4.490 . 4.490 3.356 3.224 4.532 0.042 16 0 "[ . 1 . 2]" 1
815 1 51 ILE MD 1 60 VAL MG1 4.880 . 4.880 3.196 2.974 3.411 . 0 0 "[ . 1 . 2]" 1
816 1 51 ILE HA 1 60 VAL MG1 5.500 . 5.500 3.654 3.462 3.944 . 0 0 "[ . 1 . 2]" 1
817 1 57 MET HA 1 60 VAL MG1 5.500 . 5.500 4.085 4.023 4.148 . 0 0 "[ . 1 . 2]" 1
818 1 17 LEU HB3 1 45 ALA MB 4.180 . 4.180 3.731 3.408 4.009 . 0 0 "[ . 1 . 2]" 1
819 1 79 ALA MB 1 82 ARG QB 3.650 . 3.650 1.838 1.762 2.042 0.038 18 0 "[ . 1 . 2]" 1
820 1 70 ALA MB 1 73 LEU HG 4.780 . 4.780 4.449 4.326 4.606 . 0 0 "[ . 1 . 2]" 1
821 1 54 MET ME 1 69 LEU HB3 3.380 . 3.380 1.956 1.842 2.498 . 0 0 "[ . 1 . 2]" 1
822 1 17 LEU HA 1 45 ALA MB 4.240 . 4.240 3.782 3.241 4.103 . 0 0 "[ . 1 . 2]" 1
823 1 13 ASN QB 1 45 ALA MB 4.340 . 4.340 2.270 1.925 2.607 . 0 0 "[ . 1 . 2]" 1
824 1 61 THR MG 1 62 ASP HA 4.640 . 4.640 3.247 3.076 3.442 . 0 0 "[ . 1 . 2]" 1
825 1 30 THR HA 1 30 THR MG 2.830 . 2.830 2.141 2.084 2.210 . 0 0 "[ . 1 . 2]" 1
826 1 112 VAL MG1 1 115 GLU QB 4.520 . 4.520 3.393 3.248 3.525 . 0 0 "[ . 1 . 2]" 1
827 1 22 LYS QD 1 112 VAL MG1 4.810 . 4.810 4.182 3.762 4.779 . 0 0 "[ . 1 . 2]" 1
828 1 100 LEU MD2 1 104 GLU QG 3.810 . 3.810 2.890 1.901 3.748 . 0 0 "[ . 1 . 2]" 1
829 1 100 LEU MD2 1 104 GLU QB 4.210 . 4.210 2.685 1.836 3.158 . 0 0 "[ . 1 . 2]" 1
830 1 100 LEU HA 1 100 LEU MD2 3.440 . 3.440 2.808 1.967 3.436 . 0 0 "[ . 1 . 2]" 1
831 1 18 ALA HA 1 112 VAL MG1 4.230 . 4.230 4.050 3.722 4.239 0.009 18 0 "[ . 1 . 2]" 1
832 1 112 VAL MG1 1 113 LEU HA 4.490 . 4.490 3.634 3.478 3.711 . 0 0 "[ . 1 . 2]" 1
833 1 14 VAL HA 1 14 VAL MG2 3.190 . 3.190 2.422 2.320 2.479 . 0 0 "[ . 1 . 2]" 1
834 1 83 LEU HA 1 83 LEU MD2 3.500 . 3.500 2.799 2.427 3.510 0.010 16 0 "[ . 1 . 2]" 1
835 1 24 LEU HA 1 24 LEU MD2 3.450 . 3.450 2.132 1.930 2.433 . 0 0 "[ . 1 . 2]" 1
836 1 24 LEU MD2 1 29 ILE HB 3.800 . 3.800 2.441 2.166 2.609 . 0 0 "[ . 1 . 2]" 1
837 1 24 LEU MD2 1 29 ILE MG 3.410 . 3.410 2.236 1.981 2.737 . 0 0 "[ . 1 . 2]" 1
838 1 20 ILE MG 1 24 LEU MD2 4.120 . 4.120 3.219 2.931 3.629 . 0 0 "[ . 1 . 2]" 1
839 1 111 GLU HB2 1 112 VAL MG2 3.990 . 3.990 3.336 3.116 3.502 . 0 0 "[ . 1 . 2]" 1
840 1 44 LEU HA 1 44 LEU MD2 4.240 . 4.240 3.098 2.523 3.802 . 0 0 "[ . 1 . 2]" 1
841 1 112 VAL HA 1 112 VAL MG2 3.320 . 3.320 2.460 2.365 2.499 . 0 0 "[ . 1 . 2]" 1
842 1 36 LEU HA 1 36 LEU MD1 3.370 . 3.370 1.990 1.942 2.132 . 0 0 "[ . 1 . 2]" 1
843 1 36 LEU MD1 1 40 CYS HA 4.210 . 4.210 2.808 2.732 2.890 . 0 0 "[ . 1 . 2]" 1
844 1 36 LEU MD1 1 41 GLU HA 2.990 . 2.990 1.937 1.886 2.165 . 0 0 "[ . 1 . 2]" 1
845 1 42 LEU MD2 1 44 LEU HA 4.580 . 4.580 2.818 2.736 2.914 . 0 0 "[ . 1 . 2]" 1
846 1 36 LEU HB2 1 36 LEU MD1 3.540 . 3.540 2.379 2.321 2.402 . 0 0 "[ . 1 . 2]" 1
847 1 42 LEU MD2 1 44 LEU QB 4.360 . 4.360 3.847 3.694 3.985 . 0 0 "[ . 1 . 2]" 1
848 1 19 CYS HA 1 112 VAL MG2 3.590 . 3.590 2.616 2.432 2.845 . 0 0 "[ . 1 . 2]" 1
849 1 42 LEU MD2 1 47 PHE QD 4.620 . 4.620 2.021 1.898 2.527 . 0 0 "[ . 1 . 2]" 1
850 1 51 ILE HB 1 60 VAL MG2 4.690 . 4.690 3.968 3.799 4.188 . 0 0 "[ . 1 . 2]" 1
851 1 22 LYS HA 1 22 LYS QG 3.810 . 3.810 2.194 2.000 2.272 . 0 0 "[ . 1 . 2]" 1
852 1 100 LEU MD1 1 104 GLU QG 4.550 . 4.550 2.998 1.990 4.017 . 0 0 "[ . 1 . 2]" 1
853 1 97 TYR HA 1 100 LEU MD1 4.030 . 4.030 2.185 1.882 2.631 . 0 0 "[ . 1 . 2]" 1
854 1 37 ILE MD 1 86 LEU MD1 3.540 . 3.540 1.996 1.811 3.302 . 0 0 "[ . 1 . 2]" 1
855 1 57 MET ME 1 95 LEU MD2 3.550 . 3.550 3.476 3.063 3.583 0.033 19 0 "[ . 1 . 2]" 1
856 1 36 LEU HB2 1 36 LEU MD2 3.220 . 3.220 2.411 2.330 2.500 . 0 0 "[ . 1 . 2]" 1
857 1 73 LEU HG 1 86 LEU MD1 5.350 . 5.350 5.174 5.021 5.325 . 0 0 "[ . 1 . 2]" 1
858 1 69 LEU HG 1 86 LEU MD1 4.680 . 4.680 4.820 4.804 4.832 0.152 14 0 "[ . 1 . 2]" 1
859 1 95 LEU HA 1 95 LEU MD1 3.570 . 3.570 2.112 1.936 2.366 . 0 0 "[ . 1 . 2]" 1
860 1 51 ILE HA 1 69 LEU MD2 5.500 . 5.500 5.050 4.858 5.299 . 0 0 "[ . 1 . 2]" 1
861 1 110 LYS QE 1 110 LYS HG2 3.850 . 3.850 2.155 1.953 2.747 . 0 0 "[ . 1 . 2]" 1
862 1 100 LEU HA 1 100 LEU MD1 4.110 . 4.110 3.864 3.381 4.130 0.020 3 0 "[ . 1 . 2]" 1
863 1 97 TYR QD 1 100 LEU MD1 4.410 . 4.410 2.593 1.938 3.485 . 0 0 "[ . 1 . 2]" 1
864 1 100 LEU MD1 1 105 HIS HD2 4.730 . 4.730 3.279 2.344 4.001 . 0 0 "[ . 1 . 2]" 1
865 1 86 LEU HA 1 86 LEU MD1 3.890 . 3.890 2.612 2.368 3.866 . 0 0 "[ . 1 . 2]" 1
866 1 91 CYS HA 1 95 LEU MD2 3.370 . 3.370 2.148 1.944 2.382 . 0 0 "[ . 1 . 2]" 1
867 1 70 ALA MB 1 86 LEU MD2 4.530 . 4.530 2.179 1.934 3.594 . 0 0 "[ . 1 . 2]" 1
868 1 6 LEU HA 1 6 LEU HG 3.930 . 3.930 3.087 2.876 3.265 . 0 0 "[ . 1 . 2]" 1
869 1 119 LEU HA 1 119 LEU HG 3.860 . 3.860 2.342 2.259 2.719 . 0 0 "[ . 1 . 2]" 1
870 1 73 LEU MD1 1 75 ILE QG 5.450 . 5.450 5.001 4.876 5.118 . 0 0 "[ . 1 . 2]" 1
871 1 42 LEU HG 1 73 LEU MD1 5.270 . 5.270 5.098 4.978 5.270 0.000 18 0 "[ . 1 . 2]" 1
872 1 70 ALA MB 1 73 LEU MD1 5.500 . 5.500 5.222 5.122 5.335 . 0 0 "[ . 1 . 2]" 1
873 1 37 ILE MD 1 86 LEU HG 4.170 . 4.170 3.991 3.883 4.094 . 0 0 "[ . 1 . 2]" 1
874 1 73 LEU HG 1 75 ILE MD 3.720 . 3.720 3.522 3.447 3.635 . 0 0 "[ . 1 . 2]" 1
875 1 105 HIS HA 1 108 LEU HG 4.860 . 4.860 4.730 4.493 4.861 0.001 11 0 "[ . 1 . 2]" 1
876 1 29 ILE HA 1 29 ILE HG13 4.120 . 4.120 2.602 2.359 2.769 . 0 0 "[ . 1 . 2]" 1
877 1 73 LEU HA 1 74 ARG QG 5.330 . 5.330 4.183 3.322 5.231 . 0 0 "[ . 1 . 2]" 1
878 1 117 GLU QB 1 118 ILE HG12 4.460 . 4.460 4.421 4.372 4.464 0.004 4 0 "[ . 1 . 2]" 1
879 1 24 LEU HB2 1 24 LEU MD1 3.660 . 3.660 2.184 2.095 2.309 . 0 0 "[ . 1 . 2]" 1
880 1 29 ILE HG13 1 29 ILE MG 3.590 . 3.590 2.961 2.498 3.157 . 0 0 "[ . 1 . 2]" 1
881 1 37 ILE MG 1 42 LEU HG 4.060 . 4.060 2.222 2.159 2.278 . 0 0 "[ . 1 . 2]" 1
882 1 106 ARG HA 1 106 ARG QG 3.680 . 3.680 2.413 2.030 3.347 . 0 0 "[ . 1 . 2]" 1
883 1 59 GLN QB 1 61 THR MG 5.370 . 5.370 5.249 5.065 5.382 0.012 13 0 "[ . 1 . 2]" 1
884 1 40 CYS HB3 1 76 PRO HD3 5.500 . 5.500 4.473 3.586 5.340 . 0 0 "[ . 1 . 2]" 1
885 1 40 CYS HB2 1 76 PRO HD3 5.500 . 5.500 3.577 2.442 4.609 . 0 0 "[ . 1 . 2]" 1
886 1 113 LEU HA 1 116 LYS HD3 5.420 . 5.420 3.106 2.242 4.924 . 0 0 "[ . 1 . 2]" 1
887 1 116 LYS HA 1 116 LYS HD3 5.500 . 5.500 4.980 3.883 5.520 0.020 9 0 "[ . 1 . 2]" 1
888 1 113 LEU HA 1 116 LYS HD2 5.420 . 5.420 3.969 3.029 4.462 . 0 0 "[ . 1 . 2]" 1
889 1 116 LYS HA 1 116 LYS HD2 5.500 . 5.500 4.560 4.182 5.098 . 0 0 "[ . 1 . 2]" 1
890 1 111 GLU HB2 1 112 VAL HA 4.880 . 4.880 4.779 4.591 4.858 . 0 0 "[ . 1 . 2]" 1
891 1 18 ALA HA 1 21 LYS QD 4.340 . 4.340 3.807 2.947 4.346 0.006 6 0 "[ . 1 . 2]" 1
892 1 21 LYS HA 1 21 LYS QD 4.440 . 4.440 4.059 3.636 4.274 . 0 0 "[ . 1 . 2]" 1
893 1 114 MET HA 1 114 MET HG2 3.900 . 3.900 3.873 3.841 3.905 0.005 6 0 "[ . 1 . 2]" 1
894 1 109 GLU HA 1 110 LYS QB 5.500 . 5.500 5.390 5.361 5.437 . 0 0 "[ . 1 . 2]" 1
895 1 110 LYS QB 1 113 LEU HB2 5.300 . 5.300 4.859 4.519 5.079 . 0 0 "[ . 1 . 2]" 1
896 1 18 ALA MB 1 112 VAL HB 3.820 . 3.820 3.724 3.566 3.828 0.008 12 0 "[ . 1 . 2]" 1
897 1 114 MET HG3 1 118 ILE MG 5.500 . 5.500 5.510 5.498 5.519 0.019 18 0 "[ . 1 . 2]" 1
898 1 72 MET HG3 1 73 LEU MD2 5.500 . 5.500 5.224 4.814 5.394 . 0 0 "[ . 1 . 2]" 1
899 1 18 ALA HA 1 21 LYS QB 4.480 . 4.480 2.891 2.506 4.176 . 0 0 "[ . 1 . 2]" 1
900 1 110 LYS HA 1 114 MET QB 4.840 . 4.840 4.041 3.839 4.450 . 0 0 "[ . 1 . 2]" 1
901 1 111 GLU HA 1 114 MET QB 5.110 . 5.110 4.012 3.851 4.172 . 0 0 "[ . 1 . 2]" 1
902 1 76 PRO HB2 1 79 ALA MB 4.470 . 4.470 3.307 2.929 3.651 . 0 0 "[ . 1 . 2]" 1
903 1 24 LEU MD2 1 27 GLN QG 5.330 . 5.330 4.381 3.973 4.775 . 0 0 "[ . 1 . 2]" 1
904 1 54 MET ME 1 65 LYS QB 4.240 . 4.240 2.300 1.944 2.561 . 0 0 "[ . 1 . 2]" 1
905 1 30 THR MG 1 33 GLU QG 4.810 . 4.810 4.379 3.512 4.810 . 0 0 "[ . 1 . 2]" 1
906 1 117 GLU HA 1 117 GLU HG2 3.300 . 3.300 2.349 2.162 2.638 . 0 0 "[ . 1 . 2]" 1
907 1 109 GLU HG2 1 110 LYS QE 5.490 . 5.490 4.548 3.578 5.493 0.003 13 0 "[ . 1 . 2]" 1
908 1 68 LYS HA 1 71 ASP HB3 4.910 . 4.910 3.185 2.729 3.955 . 0 0 "[ . 1 . 2]" 1
909 1 116 LYS QE 1 117 GLU HG2 4.200 . 4.200 2.782 2.220 3.732 . 0 0 "[ . 1 . 2]" 1
910 1 21 LYS QB 1 21 LYS HE2 4.190 . 4.190 2.661 1.946 4.058 . 0 0 "[ . 1 . 2]" 1
911 1 74 ARG HB3 1 74 ARG QD 3.750 . 3.750 2.879 2.102 3.480 . 0 0 "[ . 1 . 2]" 1
912 1 9 ARG QB 1 9 ARG QD 3.220 . 3.220 2.055 1.918 2.416 . 0 0 "[ . 1 . 2]" 1
913 1 25 ARG HA 1 25 ARG QD 4.410 . 4.410 4.247 4.176 4.319 . 0 0 "[ . 1 . 2]" 1
914 1 1 GLY QA 1 2 PRO QD 2.720 . 2.720 2.020 1.916 2.265 . 0 0 "[ . 1 . 2]" 1
915 1 52 ASN HA 1 56 GLY HA2 4.810 . 4.810 2.500 2.161 2.800 . 0 0 "[ . 1 . 2]" 1
916 1 75 ILE MD 1 82 ARG QD 5.500 . 5.500 5.019 4.617 5.320 . 0 0 "[ . 1 . 2]" 1
917 1 82 ARG QD 1 83 LEU MD2 5.500 . 5.500 3.066 1.833 4.699 . 0 0 "[ . 1 . 2]" 1
918 1 37 ILE MG 1 38 GLY HA2 5.350 . 5.350 4.888 4.795 4.955 . 0 0 "[ . 1 . 2]" 1
919 1 21 LYS HA 1 24 LEU MD1 4.080 . 4.080 2.335 1.978 2.663 . 0 0 "[ . 1 . 2]" 1
920 1 79 ALA HA 1 80 GLN HA 4.560 . 4.560 4.415 4.389 4.456 . 0 0 "[ . 1 . 2]" 1
921 1 36 LEU HA 1 41 GLU HA 4.140 . 4.140 2.416 2.331 2.476 . 0 0 "[ . 1 . 2]" 1
922 1 37 ILE MG 1 42 LEU HA 4.860 . 4.860 3.794 3.770 3.837 . 0 0 "[ . 1 . 2]" 1
923 1 42 LEU HA 1 42 LEU MD2 3.600 . 3.600 3.464 3.427 3.482 . 0 0 "[ . 1 . 2]" 1
924 1 89 ALA HA 1 93 TYR QD 4.080 . 4.080 3.419 3.293 3.578 . 0 0 "[ . 1 . 2]" 1
925 1 33 GLU HA 1 33 GLU QG 3.330 . 3.330 2.501 2.213 3.356 0.026 17 0 "[ . 1 . 2]" 1
926 1 30 THR MG 1 31 MET HA 4.560 . 4.560 4.319 4.113 4.510 . 0 0 "[ . 1 . 2]" 1
927 1 70 ALA HA 1 75 ILE HB 4.690 . 4.690 4.683 4.538 4.720 0.030 15 0 "[ . 1 . 2]" 1
928 1 70 ALA HA 1 73 LEU QB 5.040 . 5.040 2.186 2.116 2.294 . 0 0 "[ . 1 . 2]" 1
929 1 13 ASN HA 1 45 ALA MB 4.180 . 4.180 2.081 1.923 2.265 . 0 0 "[ . 1 . 2]" 1
930 1 54 MET ME 1 65 LYS HA 4.730 . 4.730 4.388 3.725 4.734 0.004 18 0 "[ . 1 . 2]" 1
931 1 74 ARG HA 1 74 ARG QD 4.350 . 4.350 3.061 1.976 4.114 . 0 0 "[ . 1 . 2]" 1
932 1 101 SER HA 1 102 PRO QD 3.970 . 3.970 2.283 2.241 2.326 . 0 0 "[ . 1 . 2]" 1
933 1 9 ARG HA 1 9 ARG QD 4.030 . 4.030 3.784 1.983 4.043 0.013 1 0 "[ . 1 . 2]" 1
934 1 8 ARG HA 1 8 ARG QD 3.870 . 3.870 3.218 1.830 3.885 0.015 1 0 "[ . 1 . 2]" 1
935 1 54 MET HA 1 54 MET ME 4.610 . 4.610 4.475 4.098 4.616 0.006 6 0 "[ . 1 . 2]" 1
936 1 10 TRP HA 1 14 VAL HB 4.700 . 4.700 4.677 4.553 4.727 0.027 6 0 "[ . 1 . 2]" 1
937 1 10 TRP HA 1 14 VAL MG2 4.190 . 4.190 3.905 3.651 4.138 . 0 0 "[ . 1 . 2]" 1
938 1 10 TRP HA 1 10 TRP HD1 4.250 . 4.250 3.995 3.875 4.085 . 0 0 "[ . 1 . 2]" 1
939 1 52 ASN HA 1 53 GLU HA 5.380 . 5.380 4.776 4.720 4.840 . 0 0 "[ . 1 . 2]" 1
940 1 53 GLU HA 1 54 MET HA 5.500 . 5.500 4.640 4.607 4.771 . 0 0 "[ . 1 . 2]" 1
941 1 80 GLN HA 1 80 GLN QG 3.630 . 3.630 2.357 2.016 3.351 . 0 0 "[ . 1 . 2]" 1
942 1 67 ASN HA 1 83 LEU MD1 4.350 . 4.350 2.485 2.120 2.960 . 0 0 "[ . 1 . 2]" 1
943 1 10 TRP HA 1 14 VAL MG1 4.990 . 4.990 4.448 4.299 4.931 . 0 0 "[ . 1 . 2]" 1
944 1 117 GLU HA 1 117 GLU HG3 3.790 . 3.790 3.530 3.291 3.786 . 0 0 "[ . 1 . 2]" 1
945 1 86 LEU HA 1 89 ALA MB 3.290 . 3.290 2.073 1.924 2.150 . 0 0 "[ . 1 . 2]" 1
946 1 121 LYS HA 1 121 LYS QG 3.630 . 3.630 2.714 2.382 3.346 . 0 0 "[ . 1 . 2]" 1
947 1 113 LEU HA 1 116 LYS QG 3.600 . 3.600 2.209 1.977 2.609 . 0 0 "[ . 1 . 2]" 1
948 1 63 LEU HA 1 64 LYS HA 5.430 . 5.430 5.152 5.097 5.185 . 0 0 "[ . 1 . 2]" 1
949 1 9 ARG HA 1 10 TRP HA 4.610 . 4.610 4.343 4.318 4.386 . 0 0 "[ . 1 . 2]" 1
950 1 69 LEU HA 1 72 MET ME 4.180 . 4.180 3.329 1.874 4.038 . 0 0 "[ . 1 . 2]" 1
951 1 16 ARG HA 1 45 ALA MB 5.350 . 5.350 4.804 4.373 5.168 . 0 0 "[ . 1 . 2]" 1
952 1 24 LEU HA 1 29 ILE MD 4.240 . 4.240 2.740 2.450 2.934 . 0 0 "[ . 1 . 2]" 1
953 1 77 LYS HA 1 82 ARG QD 4.980 . 4.980 3.868 2.383 5.046 0.066 11 0 "[ . 1 . 2]" 1
954 1 22 LYS QE 1 108 LEU HA 4.000 . 4.000 3.686 3.202 4.002 0.002 6 0 "[ . 1 . 2]" 1
955 1 72 MET HA 1 72 MET HG3 4.150 . 4.150 2.643 2.042 3.501 . 0 0 "[ . 1 . 2]" 1
956 1 68 LYS HA 1 71 ASP HB2 4.910 . 4.910 2.302 2.031 2.759 . 0 0 "[ . 1 . 2]" 1
957 1 72 MET HA 1 72 MET HG2 4.150 . 4.150 2.569 2.137 3.141 . 0 0 "[ . 1 . 2]" 1
958 1 104 GLU HA 1 104 GLU QG 3.370 . 3.370 2.786 2.516 3.406 0.036 16 0 "[ . 1 . 2]" 1
959 1 22 LYS QD 1 108 LEU HA 3.380 . 3.380 3.044 2.581 3.239 . 0 0 "[ . 1 . 2]" 1
960 1 77 LYS HA 1 77 LYS QD 3.800 . 3.800 3.303 1.958 3.820 0.020 15 0 "[ . 1 . 2]" 1
961 1 24 LEU MD2 1 93 TYR HA 4.200 . 4.200 2.250 1.940 2.969 . 0 0 "[ . 1 . 2]" 1
962 1 29 ILE MD 1 93 TYR HA 4.980 . 4.980 3.384 2.558 4.358 . 0 0 "[ . 1 . 2]" 1
963 1 93 TYR HA 1 93 TYR QD 4.070 . 4.070 2.965 2.873 3.052 . 0 0 "[ . 1 . 2]" 1
964 1 110 LYS HA 1 110 LYS QE 4.800 . 4.800 3.282 2.084 4.411 . 0 0 "[ . 1 . 2]" 1
965 1 53 GLU HA 1 53 GLU HG2 3.960 . 3.960 3.545 2.959 3.861 . 0 0 "[ . 1 . 2]" 1
966 1 88 GLU HA 1 88 GLU HG2 3.830 . 3.830 2.536 2.283 2.974 . 0 0 "[ . 1 . 2]" 1
967 1 53 GLU HA 1 53 GLU HG3 3.960 . 3.960 2.893 2.428 3.747 . 0 0 "[ . 1 . 2]" 1
968 1 88 GLU HA 1 88 GLU HG3 3.830 . 3.830 3.488 2.949 3.800 . 0 0 "[ . 1 . 2]" 1
969 1 110 LYS HA 1 110 LYS QD 4.270 . 4.270 3.091 2.781 3.586 . 0 0 "[ . 1 . 2]" 1
970 1 110 LYS HA 1 110 LYS HG3 4.040 . 4.040 3.633 3.446 3.751 . 0 0 "[ . 1 . 2]" 1
971 1 110 LYS HA 1 113 LEU HB3 4.390 . 4.390 3.716 3.484 4.051 . 0 0 "[ . 1 . 2]" 1
972 1 57 MET HA 1 60 VAL HB 4.780 . 4.780 2.799 2.756 2.840 . 0 0 "[ . 1 . 2]" 1
973 1 110 LYS HA 1 110 LYS HG2 4.040 . 4.040 2.399 2.205 2.650 . 0 0 "[ . 1 . 2]" 1
974 1 57 MET HA 1 60 VAL MG2 4.870 . 4.870 2.580 2.145 2.967 . 0 0 "[ . 1 . 2]" 1
975 1 29 ILE HA 1 29 ILE HG12 4.120 . 4.120 3.086 2.802 3.632 . 0 0 "[ . 1 . 2]" 1
976 1 29 ILE HA 1 29 ILE MG 3.550 . 3.550 2.367 2.275 2.435 . 0 0 "[ . 1 . 2]" 1
977 1 29 ILE HA 1 29 ILE MD 3.870 . 3.870 3.666 3.092 3.895 0.025 11 0 "[ . 1 . 2]" 1
978 1 82 ARG HA 1 83 LEU MD2 4.710 . 4.710 4.536 4.273 4.712 0.002 11 0 "[ . 1 . 2]" 1
979 1 20 ILE HB 1 21 LYS HA 4.840 . 4.840 4.192 4.147 4.322 . 0 0 "[ . 1 . 2]" 1
980 1 24 LEU MD2 1 29 ILE HA 5.350 . 5.350 4.812 4.470 5.018 . 0 0 "[ . 1 . 2]" 1
981 1 37 ILE HA 1 37 ILE MG 3.420 . 3.420 3.205 3.203 3.207 . 0 0 "[ . 1 . 2]" 1
982 1 20 ILE MG 1 21 LYS HA 4.780 . 4.780 3.651 3.325 3.785 . 0 0 "[ . 1 . 2]" 1
983 1 77 LYS HA 1 78 THR HA 4.930 . 4.930 4.802 4.789 4.807 . 0 0 "[ . 1 . 2]" 1
984 1 105 HIS HA 1 105 HIS HD2 4.840 . 4.840 3.223 2.691 3.740 . 0 0 "[ . 1 . 2]" 1
985 1 25 ARG QD 1 30 THR HA 5.200 . 5.200 4.964 4.709 5.202 0.002 5 0 "[ . 1 . 2]" 1
986 1 60 VAL HA 1 66 TRP HA 5.140 . 5.140 4.856 4.708 5.150 0.010 16 0 "[ . 1 . 2]" 1
987 1 25 ARG QB 1 30 THR HA 4.350 . 4.350 3.057 2.951 3.199 . 0 0 "[ . 1 . 2]" 1
988 1 46 CYS HA 1 73 LEU MD2 4.950 . 4.950 4.822 4.564 4.962 0.012 19 0 "[ . 1 . 2]" 1
989 1 66 TRP HA 1 69 LEU MD2 4.930 . 4.930 1.754 1.747 1.777 0.053 7 0 "[ . 1 . 2]" 1
990 1 66 TRP HA 1 86 LEU MD2 5.500 . 5.500 3.581 3.460 4.290 . 0 0 "[ . 1 . 2]" 1
991 1 118 ILE HA 1 121 LYS QD 4.840 . 4.840 3.732 2.080 4.847 0.007 13 0 "[ . 1 . 2]" 1
992 1 118 ILE HA 1 121 LYS QG 4.630 . 4.630 3.198 2.119 3.926 . 0 0 "[ . 1 . 2]" 1
993 1 118 ILE HA 1 118 ILE HG13 3.940 . 3.940 2.431 2.395 2.472 . 0 0 "[ . 1 . 2]" 1
994 1 35 PRO HA 1 36 LEU MD1 5.500 . 5.500 4.862 4.766 4.958 . 0 0 "[ . 1 . 2]" 1
995 1 35 PRO HA 1 42 LEU MD2 5.500 . 5.500 5.313 5.113 5.506 0.006 10 0 "[ . 1 . 2]" 1
996 1 91 CYS HA 1 95 LEU HB3 4.710 . 4.710 3.496 3.361 3.705 . 0 0 "[ . 1 . 2]" 1
997 1 91 CYS HA 1 95 LEU HG 4.800 . 4.800 2.543 2.327 2.777 . 0 0 "[ . 1 . 2]" 1
998 1 91 CYS HA 1 95 LEU HB2 4.620 . 4.620 2.086 1.964 2.315 . 0 0 "[ . 1 . 2]" 1
999 1 91 CYS HA 1 95 LEU MD1 4.240 . 4.240 4.006 3.899 4.113 . 0 0 "[ . 1 . 2]" 1
1000 1 19 CYS HA 1 112 VAL MG1 4.510 . 4.510 4.058 3.794 4.314 . 0 0 "[ . 1 . 2]" 1
1001 1 51 ILE HA 1 54 MET ME 5.500 . 5.500 4.097 3.153 4.773 . 0 0 "[ . 1 . 2]" 1
1002 1 14 VAL HA 1 17 LEU HB3 4.470 . 4.470 2.961 2.399 3.282 . 0 0 "[ . 1 . 2]" 1
1003 1 14 VAL HA 1 17 LEU HB2 4.870 . 4.870 3.620 2.978 4.075 . 0 0 "[ . 1 . 2]" 1
1004 1 14 VAL HA 1 18 ALA MB 5.500 . 5.500 4.332 4.107 4.486 . 0 0 "[ . 1 . 2]" 1
1005 1 112 VAL HA 1 115 GLU HG3 4.730 . 4.730 2.922 2.537 3.241 . 0 0 "[ . 1 . 2]" 1
1006 1 20 ILE HA 1 108 LEU MD1 5.330 . 5.330 5.029 4.688 5.336 0.006 6 0 "[ . 1 . 2]" 1
1007 1 61 THR HA 1 66 TRP HD1 4.550 . 4.550 2.731 2.657 2.830 . 0 0 "[ . 1 . 2]" 1
1008 1 61 THR HA 1 62 ASP HA 5.090 . 5.090 4.771 4.743 4.816 . 0 0 "[ . 1 . 2]" 1
1009 1 60 VAL HA 1 69 LEU HB2 5.500 . 5.500 5.578 5.542 5.590 0.090 9 0 "[ . 1 . 2]" 1
1010 1 60 VAL HA 1 61 THR MG 5.320 . 5.320 5.137 5.014 5.238 . 0 0 "[ . 1 . 2]" 1
1011 1 78 THR HB 1 79 ALA HA 4.460 . 4.460 4.200 4.042 4.384 . 0 0 "[ . 1 . 2]" 1
1012 1 58 GLN HA 1 61 THR HB 4.800 . 4.800 4.819 4.805 4.839 0.039 14 0 "[ . 1 . 2]" 1
1013 1 61 THR HB 1 66 TRP HD1 4.760 . 4.760 4.453 4.230 4.603 . 0 0 "[ . 1 . 2]" 1
1014 1 60 VAL MG1 1 61 THR MG 4.840 . 4.840 4.435 4.305 4.517 . 0 0 "[ . 1 . 2]" 1
1015 1 117 GLU QB 1 117 GLU HG2 2.740 . 2.740 2.511 2.467 2.528 . 0 0 "[ . 1 . 2]" 1
1016 1 31 MET ME 1 44 LEU MD1 3.540 . 3.540 3.029 1.948 3.554 0.014 4 0 "[ . 1 . 2]" 1
1017 1 121 LYS QD 1 121 LYS QG 2.400 . 2.400 2.026 2.006 2.051 . 0 0 "[ . 1 . 2]" 1
1018 1 78 THR HA 1 78 THR MG 2.950 . 2.950 2.160 2.024 2.350 . 0 0 "[ . 1 . 2]" 1
1019 1 29 ILE HG12 1 29 ILE MG 3.590 . 3.590 2.173 2.054 2.256 . 0 0 "[ . 1 . 2]" 1
1020 1 51 ILE MD 1 51 ILE MG 3.170 . 3.170 2.022 1.954 2.162 . 0 0 "[ . 1 . 2]" 1
1021 1 22 LYS QE 1 22 LYS QG 3.220 . 3.220 2.204 1.979 2.368 . 0 0 "[ . 1 . 2]" 1
1022 1 77 LYS QE 1 77 LYS HG3 3.580 . 3.580 2.618 1.973 3.364 . 0 0 "[ . 1 . 2]" 1
1023 1 117 GLU QB 1 117 GLU HG3 2.720 . 2.720 2.151 2.127 2.211 . 0 0 "[ . 1 . 2]" 1
1024 1 108 LEU HA 1 111 GLU HB2 2.760 . 2.760 2.777 2.731 2.789 0.029 9 0 "[ . 1 . 2]" 1
1025 1 6 LEU HA 1 6 LEU MD2 2.550 . 2.550 2.308 1.998 2.540 . 0 0 "[ . 1 . 2]" 1
1026 1 77 LYS QE 1 77 LYS HG2 3.580 . 3.580 2.505 2.017 3.195 . 0 0 "[ . 1 . 2]" 1
1027 1 72 MET ME 1 73 LEU MD2 4.070 . 4.070 3.845 3.241 4.066 . 0 0 "[ . 1 . 2]" 1
1028 1 6 LEU HB2 1 6 LEU MD1 3.640 . 3.640 2.207 1.988 2.356 . 0 0 "[ . 1 . 2]" 1
1029 1 120 GLU HA 1 120 GLU HG3 3.610 . 3.610 3.519 3.375 3.599 . 0 0 "[ . 1 . 2]" 1
1030 1 31 MET HG2 1 35 PRO QB 4.370 . 4.370 2.852 2.341 3.333 . 0 0 "[ . 1 . 2]" 1
1031 1 49 ARG H 1 49 ARG QB 3.400 . 3.400 2.210 2.040 2.498 . 0 0 "[ . 1 . 2]" 1
1032 1 114 MET HA 1 117 GLU QB 3.590 . 3.590 2.339 2.057 2.634 . 0 0 "[ . 1 . 2]" 1
1033 1 108 LEU HA 1 108 LEU HG 3.260 . 3.260 2.906 2.776 3.018 . 0 0 "[ . 1 . 2]" 1
1034 1 66 TRP HA 1 69 LEU MD1 4.930 . 4.930 3.308 3.206 3.446 . 0 0 "[ . 1 . 2]" 1
1035 1 95 LEU HB3 1 95 LEU MD2 3.290 . 3.290 3.180 3.172 3.191 . 0 0 "[ . 1 . 2]" 1
1036 1 95 LEU HB2 1 95 LEU MD2 3.230 . 3.230 2.360 2.204 2.456 . 0 0 "[ . 1 . 2]" 1
1037 1 108 LEU HA 1 108 LEU MD2 3.340 . 3.340 2.082 1.968 2.230 . 0 0 "[ . 1 . 2]" 1
1038 1 35 PRO QB 1 42 LEU MD2 3.590 . 3.590 2.969 2.747 3.287 . 0 0 "[ . 1 . 2]" 1
1039 1 14 VAL H 1 14 VAL MG2 3.340 . 3.340 2.112 1.981 2.346 . 0 0 "[ . 1 . 2]" 1
1040 1 30 THR MG 1 31 MET H 3.170 . 3.170 3.013 2.657 3.175 0.005 16 0 "[ . 1 . 2]" 1
1041 1 14 VAL HA 1 14 VAL MG1 3.390 . 3.390 2.324 2.244 2.407 . 0 0 "[ . 1 . 2]" 1
1042 1 18 ALA MB 1 112 VAL MG1 3.250 . 3.250 1.912 1.796 2.032 0.004 2 0 "[ . 1 . 2]" 1
1043 1 54 MET ME 1 60 VAL MG2 3.420 . 3.420 2.502 1.841 3.142 . 0 0 "[ . 1 . 2]" 1
1044 1 79 ALA MB 1 82 ARG H 3.740 . 3.740 2.582 2.004 2.941 . 0 0 "[ . 1 . 2]" 1
1045 1 70 ALA MB 1 75 ILE QG 3.610 . 3.610 2.889 2.376 3.309 . 0 0 "[ . 1 . 2]" 1
1046 1 70 ALA MB 1 75 ILE MG 3.340 . 3.340 3.225 2.949 3.364 0.024 12 0 "[ . 1 . 2]" 1
1047 1 37 ILE MG 1 42 LEU MD2 3.480 . 3.480 3.506 3.481 3.521 0.041 2 0 "[ . 1 . 2]" 1
1048 1 24 LEU MD1 1 31 MET ME 3.230 . 3.230 2.023 1.781 2.330 0.019 17 0 "[ . 1 . 2]" 1
1049 1 51 ILE HB 1 51 ILE MD 3.470 . 3.470 2.390 2.278 2.489 . 0 0 "[ . 1 . 2]" 1
1050 1 20 ILE HB 1 20 ILE MD 3.440 . 3.440 2.265 2.108 2.351 . 0 0 "[ . 1 . 2]" 1
1051 1 20 ILE MD 1 20 ILE MG 3.180 . 3.180 2.288 2.074 2.487 . 0 0 "[ . 1 . 2]" 1
1052 1 114 MET HA 1 118 ILE MD 3.630 . 3.630 2.076 1.919 2.227 . 0 0 "[ . 1 . 2]" 1
1053 1 25 ARG QB 1 25 ARG QD 3.500 . 3.500 2.078 2.031 2.137 . 0 0 "[ . 1 . 2]" 1
1054 1 106 ARG QB 1 106 ARG QD 3.380 . 3.380 2.128 1.924 2.704 . 0 0 "[ . 1 . 2]" 1
1055 1 22 LYS QE 1 111 GLU HB2 3.590 . 3.590 2.975 2.540 3.307 . 0 0 "[ . 1 . 2]" 1
1056 1 116 LYS QE 1 116 LYS QG 3.430 . 3.430 2.164 1.970 2.763 . 0 0 "[ . 1 . 2]" 1
1057 1 118 ILE H 1 118 ILE HB 3.200 . 3.200 2.587 2.553 2.618 . 0 0 "[ . 1 . 2]" 1
1058 1 30 THR H 1 30 THR HB 3.320 . 3.320 2.808 2.666 2.899 . 0 0 "[ . 1 . 2]" 1
1059 1 112 VAL HA 1 112 VAL MG1 3.420 . 3.420 2.359 2.235 2.406 . 0 0 "[ . 1 . 2]" 1
1060 1 108 LEU HA 1 111 GLU HB3 4.220 . 4.220 4.221 4.191 4.236 0.016 8 0 "[ . 1 . 2]" 1
1061 1 92 GLN HA 1 92 GLN HG3 3.760 . 3.760 2.898 2.596 3.407 . 0 0 "[ . 1 . 2]" 1
1062 1 120 GLU HA 1 120 GLU HG2 3.610 . 3.610 2.434 2.318 2.578 . 0 0 "[ . 1 . 2]" 1
1063 1 8 ARG HA 1 8 ARG QG 3.480 . 3.480 2.886 2.029 3.440 . 0 0 "[ . 1 . 2]" 1
1064 1 92 GLN H 1 92 GLN HG3 4.670 . 4.670 4.489 3.943 4.679 0.009 7 0 "[ . 1 . 2]" 1
1065 1 72 MET HG2 1 73 LEU MD2 5.500 . 5.500 4.990 4.479 5.367 . 0 0 "[ . 1 . 2]" 1
1066 1 76 PRO HB3 1 78 THR H 4.560 . 4.560 4.096 3.969 4.243 . 0 0 "[ . 1 . 2]" 1
1067 1 77 LYS HB2 1 78 THR H 4.830 . 4.830 3.744 2.980 4.203 . 0 0 "[ . 1 . 2]" 1
1068 1 27 GLN HA 1 27 GLN QG 3.650 . 3.650 2.631 2.202 2.874 . 0 0 "[ . 1 . 2]" 1
1069 1 92 GLN HA 1 92 GLN HG2 3.760 . 3.760 2.431 2.072 2.784 . 0 0 "[ . 1 . 2]" 1
1070 1 35 PRO QB 1 36 LEU H 4.300 . 4.300 3.231 2.949 3.494 . 0 0 "[ . 1 . 2]" 1
1071 1 35 PRO QB 1 42 LEU MD1 4.310 . 4.310 1.972 1.872 2.252 . 0 0 "[ . 1 . 2]" 1
1072 1 109 GLU HA 1 112 VAL HB 4.300 . 4.300 3.123 3.042 3.211 . 0 0 "[ . 1 . 2]" 1
1073 1 31 MET HG3 1 35 PRO QB 4.370 . 4.370 3.788 3.359 4.385 0.015 17 0 "[ . 1 . 2]" 1
1074 1 114 MET QB 1 118 ILE MD 4.330 . 4.330 1.858 1.827 1.937 . 0 0 "[ . 1 . 2]" 1
1075 1 114 MET H 1 114 MET HG3 3.680 . 3.680 3.435 3.347 3.513 . 0 0 "[ . 1 . 2]" 1
1076 1 114 MET HA 1 114 MET HG3 3.790 . 3.790 3.639 3.618 3.665 . 0 0 "[ . 1 . 2]" 1
1077 1 114 MET HG3 1 115 GLU HA 4.960 . 4.960 2.991 2.951 3.036 . 0 0 "[ . 1 . 2]" 1
1078 1 114 MET HG3 1 115 GLU HG2 3.830 . 3.830 2.707 2.512 3.144 . 0 0 "[ . 1 . 2]" 1
1079 1 114 MET HG3 1 118 ILE MD 5.440 . 5.440 3.122 2.991 3.281 . 0 0 "[ . 1 . 2]" 1
1080 1 111 GLU HA 1 114 MET HG2 4.410 . 4.410 2.298 2.133 2.469 . 0 0 "[ . 1 . 2]" 1
1081 1 114 MET HG2 1 115 GLU HG2 4.100 . 4.100 3.401 3.087 4.102 0.002 8 0 "[ . 1 . 2]" 1
1082 1 111 GLU HB3 1 114 MET HG2 4.600 . 4.600 4.504 4.309 4.605 0.005 2 0 "[ . 1 . 2]" 1
1083 1 114 MET HG2 1 118 ILE MD 4.240 . 4.240 4.092 4.053 4.160 . 0 0 "[ . 1 . 2]" 1
1084 1 120 GLU HB2 1 121 LYS QG 4.330 . 4.330 3.080 2.566 3.836 . 0 0 "[ . 1 . 2]" 1
1085 1 22 LYS QD 1 111 GLU HB3 4.220 . 4.220 3.547 3.147 3.998 . 0 0 "[ . 1 . 2]" 1
1086 1 40 CYS HB2 1 41 GLU H 4.320 . 4.320 3.873 3.686 3.987 . 0 0 "[ . 1 . 2]" 1
1087 1 37 ILE MG 1 40 CYS HB2 4.680 . 4.680 3.799 3.429 4.064 . 0 0 "[ . 1 . 2]" 1
1088 1 40 CYS H 1 40 CYS HB3 3.890 . 3.890 3.634 3.491 3.781 . 0 0 "[ . 1 . 2]" 1
1089 1 37 ILE MG 1 40 CYS HB3 4.680 . 4.680 4.168 3.884 4.457 . 0 0 "[ . 1 . 2]" 1
1090 1 117 GLU QB 1 118 ILE HG13 4.460 . 4.460 3.173 3.063 3.257 . 0 0 "[ . 1 . 2]" 1
1091 1 86 LEU H 1 86 LEU HG 4.740 . 4.740 4.039 3.957 4.120 . 0 0 "[ . 1 . 2]" 1
1092 1 118 ILE HA 1 118 ILE HG12 3.940 . 3.940 3.522 3.452 3.578 . 0 0 "[ . 1 . 2]" 1
1093 1 69 LEU HA 1 69 LEU HG 3.940 . 3.940 3.318 3.031 3.356 . 0 0 "[ . 1 . 2]" 1
1094 1 74 ARG HA 1 74 ARG QG 3.610 . 3.610 2.508 2.065 3.047 . 0 0 "[ . 1 . 2]" 1
1095 1 69 LEU HG 1 73 LEU MD1 5.370 . 5.370 5.375 5.286 5.403 0.033 11 0 "[ . 1 . 2]" 1
1096 1 24 LEU MD1 1 93 TYR QD 4.050 . 4.050 2.009 1.846 2.467 . 0 0 "[ . 1 . 2]" 1
1097 1 35 PRO QG 1 36 LEU H 4.910 . 4.910 4.597 4.423 4.722 . 0 0 "[ . 1 . 2]" 1
1098 1 119 LEU H 1 119 LEU HG 4.510 . 4.510 4.261 4.088 4.484 . 0 0 "[ . 1 . 2]" 1
1099 1 47 PHE QD 1 69 LEU MD1 4.440 . 4.440 2.963 2.529 3.910 . 0 0 "[ . 1 . 2]" 1
1100 1 73 LEU H 1 73 LEU MD1 4.330 . 4.330 4.166 4.106 4.239 . 0 0 "[ . 1 . 2]" 1
1101 1 47 PHE QD 1 73 LEU MD1 4.510 . 4.510 2.432 1.954 3.114 . 0 0 "[ . 1 . 2]" 1
1102 1 73 LEU HA 1 73 LEU MD1 4.440 . 4.440 2.166 2.002 2.357 . 0 0 "[ . 1 . 2]" 1
1103 1 42 LEU MD2 1 73 LEU MD1 3.630 . 3.630 3.633 3.586 3.664 0.034 4 0 "[ . 1 . 2]" 1
1104 1 100 LEU MD1 1 108 LEU MD1 4.120 . 4.120 3.043 2.163 4.099 . 0 0 "[ . 1 . 2]" 1
1105 1 69 LEU H 1 69 LEU MD2 4.690 . 4.690 2.724 2.601 3.434 . 0 0 "[ . 1 . 2]" 1
1106 1 66 TRP HE1 1 86 LEU MD2 5.060 . 5.060 5.033 4.803 5.081 0.021 3 0 "[ . 1 . 2]" 1
1107 1 47 PHE QD 1 69 LEU MD2 4.440 . 4.440 3.895 3.079 4.458 0.018 15 0 "[ . 1 . 2]" 1
1108 1 44 LEU HA 1 44 LEU MD1 4.240 . 4.240 2.306 1.921 3.143 . 0 0 "[ . 1 . 2]" 1
1109 1 95 LEU MD2 1 96 SER H 4.380 . 4.380 4.409 4.392 4.422 0.042 16 0 "[ . 1 . 2]" 1
1110 1 91 CYS H 1 95 LEU MD2 4.620 . 4.620 4.063 3.832 4.239 . 0 0 "[ . 1 . 2]" 1
1111 1 94 LEU H 1 95 LEU MD2 4.750 . 4.750 4.625 4.534 4.757 0.007 16 0 "[ . 1 . 2]" 1
1112 1 90 TYR QD 1 95 LEU MD2 4.550 . 4.550 2.292 2.050 2.498 . 0 0 "[ . 1 . 2]" 1
1113 1 95 LEU HA 1 95 LEU MD2 3.680 . 3.680 2.170 1.941 2.456 . 0 0 "[ . 1 . 2]" 1
1114 1 86 LEU H 1 86 LEU MD1 4.400 . 4.400 4.309 4.243 4.350 . 0 0 "[ . 1 . 2]" 1
1115 1 100 LEU H 1 100 LEU MD1 4.120 . 4.120 3.205 1.830 3.605 . 0 0 "[ . 1 . 2]" 1
1116 1 110 LYS QE 1 110 LYS HG3 3.850 . 3.850 2.908 2.301 3.507 . 0 0 "[ . 1 . 2]" 1
1117 1 6 LEU H 1 6 LEU MD1 3.810 . 3.810 3.518 3.244 3.809 . 0 0 "[ . 1 . 2]" 1
1118 1 10 TRP HZ2 1 116 LYS QG 4.250 . 4.250 3.286 2.485 3.968 . 0 0 "[ . 1 . 2]" 1
1119 1 90 TYR QD 1 95 LEU MD1 4.940 . 4.940 4.841 4.714 4.949 0.009 7 0 "[ . 1 . 2]" 1
1120 1 115 GLU QB 1 116 LYS QG 4.180 . 4.180 3.963 3.767 4.116 . 0 0 "[ . 1 . 2]" 1
1121 1 60 VAL H 1 60 VAL MG2 3.940 . 3.940 2.061 1.940 2.205 . 0 0 "[ . 1 . 2]" 1
1122 1 59 GLN QB 1 60 VAL MG2 4.440 . 4.440 3.206 3.092 3.348 . 0 0 "[ . 1 . 2]" 1
1123 1 108 LEU MD2 1 111 GLU HB2 4.200 . 4.200 4.059 3.906 4.202 0.002 13 0 "[ . 1 . 2]" 1
1124 1 22 LYS QG 1 108 LEU MD2 3.800 . 3.800 3.436 2.895 3.766 . 0 0 "[ . 1 . 2]" 1
1125 1 42 LEU MD2 1 47 PHE H 4.600 . 4.600 4.203 4.036 4.409 . 0 0 "[ . 1 . 2]" 1
1126 1 36 LEU H 1 36 LEU MD1 4.150 . 4.150 3.950 3.887 3.998 . 0 0 "[ . 1 . 2]" 1
1127 1 36 LEU MD1 1 41 GLU HG2 3.650 . 3.650 3.095 2.501 3.347 . 0 0 "[ . 1 . 2]" 1
1128 1 36 LEU MD1 1 41 GLU HG3 3.650 . 3.650 1.903 1.861 2.055 . 0 0 "[ . 1 . 2]" 1
1129 1 79 ALA MB 1 83 LEU MD2 4.380 . 4.380 4.052 3.757 4.350 . 0 0 "[ . 1 . 2]" 1
1130 1 24 LEU H 1 24 LEU MD2 4.030 . 4.030 3.749 3.618 3.910 . 0 0 "[ . 1 . 2]" 1
1131 1 24 LEU MD2 1 93 TYR QD 4.020 . 4.020 2.327 1.954 2.640 . 0 0 "[ . 1 . 2]" 1
1132 1 24 LEU HB2 1 24 LEU MD2 3.580 . 3.580 3.172 3.134 3.189 . 0 0 "[ . 1 . 2]" 1
1133 1 100 LEU MD2 1 108 LEU MD1 4.810 . 4.810 4.052 2.964 4.696 . 0 0 "[ . 1 . 2]" 1
1134 1 112 VAL H 1 112 VAL MG1 3.820 . 3.820 3.775 3.763 3.782 . 0 0 "[ . 1 . 2]" 1
1135 1 10 TRP HH2 1 112 VAL MG1 4.030 . 4.030 2.036 1.897 2.514 . 0 0 "[ . 1 . 2]" 1
1136 1 14 VAL MG1 1 18 ALA H 4.350 . 4.350 3.965 3.617 4.305 . 0 0 "[ . 1 . 2]" 1
1137 1 10 TRP HE1 1 14 VAL MG1 3.840 . 3.840 3.668 3.473 3.841 0.001 16 0 "[ . 1 . 2]" 1
1138 1 20 ILE MD 1 45 ALA MB 4.260 . 4.260 4.048 3.731 4.235 . 0 0 "[ . 1 . 2]" 1
1139 1 60 VAL MG1 1 66 TRP H 4.430 . 4.430 3.649 2.929 3.827 . 0 0 "[ . 1 . 2]" 1
1140 1 51 ILE MG 1 60 VAL MG1 4.920 . 4.920 2.983 2.770 3.196 . 0 0 "[ . 1 . 2]" 1
1141 1 17 LEU H 1 18 ALA MB 4.500 . 4.500 4.269 4.164 4.376 . 0 0 "[ . 1 . 2]" 1
1142 1 10 TRP HH2 1 18 ALA MB 4.200 . 4.200 3.286 2.578 3.743 . 0 0 "[ . 1 . 2]" 1
1143 1 15 GLN HA 1 18 ALA MB 3.810 . 3.810 2.604 2.170 3.057 . 0 0 "[ . 1 . 2]" 1
1144 1 54 MET ME 1 69 LEU HA 3.500 . 3.500 3.130 2.510 3.505 0.005 19 0 "[ . 1 . 2]" 1
1145 1 54 MET ME 1 60 VAL MG1 3.990 . 3.990 2.599 2.118 3.090 . 0 0 "[ . 1 . 2]" 1
1146 1 89 ALA MB 1 93 TYR QD 4.440 . 4.440 4.189 4.118 4.271 . 0 0 "[ . 1 . 2]" 1
1147 1 84 ALA MB 1 85 LYS H 3.550 . 3.550 2.648 2.600 2.756 . 0 0 "[ . 1 . 2]" 1
1148 1 83 LEU H 1 84 ALA MB 4.840 . 4.840 4.371 4.300 4.458 . 0 0 "[ . 1 . 2]" 1
1149 1 84 ALA MB 1 85 LYS HA 4.190 . 4.190 3.835 3.806 3.853 . 0 0 "[ . 1 . 2]" 1
1150 1 81 ASP HB2 1 84 ALA MB 4.780 . 4.780 4.440 3.470 4.791 0.011 5 0 "[ . 1 . 2]" 1
1151 1 79 ALA MB 1 83 LEU H 4.680 . 4.680 4.452 4.123 4.692 0.012 18 0 "[ . 1 . 2]" 1
1152 1 69 LEU H 1 70 ALA MB 4.910 . 4.910 4.415 4.368 4.496 . 0 0 "[ . 1 . 2]" 1
1153 1 70 ALA MB 1 75 ILE H 5.450 . 5.450 4.756 4.575 4.887 . 0 0 "[ . 1 . 2]" 1
1154 1 79 ALA MB 1 80 GLN HA 4.860 . 4.860 4.424 4.326 4.499 . 0 0 "[ . 1 . 2]" 1
1155 1 79 ALA MB 1 82 ARG HA 3.710 . 3.710 3.613 3.220 3.736 0.026 3 0 "[ . 1 . 2]" 1
1156 1 79 ALA MB 1 82 ARG QG 3.860 . 3.860 2.415 1.823 3.220 . 0 0 "[ . 1 . 2]" 1
1157 1 70 ALA MB 1 86 LEU MD1 3.740 . 3.740 3.213 2.111 3.445 . 0 0 "[ . 1 . 2]" 1
1158 1 36 LEU HG 1 37 ILE MG 4.360 . 4.360 4.281 4.173 4.360 0.000 3 0 "[ . 1 . 2]" 1
1159 1 72 MET HA 1 72 MET ME 4.460 . 4.460 4.306 4.139 4.458 . 0 0 "[ . 1 . 2]" 1
1160 1 72 MET ME 1 72 MET HG3 3.960 . 3.960 2.848 2.340 3.401 . 0 0 "[ . 1 . 2]" 1
1161 1 72 MET ME 1 72 MET HG2 3.960 . 3.960 3.026 2.385 3.399 . 0 0 "[ . 1 . 2]" 1
1162 1 31 MET H 1 31 MET ME 4.830 . 4.830 4.568 4.013 4.757 . 0 0 "[ . 1 . 2]" 1
1163 1 20 ILE MG 1 31 MET ME 3.530 . 3.530 3.317 2.519 3.542 0.012 5 0 "[ . 1 . 2]" 1
1164 1 114 MET ME 1 114 MET HG2 3.930 . 3.930 2.518 2.431 2.633 . 0 0 "[ . 1 . 2]" 1
1165 1 51 ILE MG 1 57 MET ME 3.960 . 3.960 2.336 1.930 2.725 . 0 0 "[ . 1 . 2]" 1
1166 1 57 MET ME 1 60 VAL MG2 4.540 . 4.540 3.046 2.880 3.209 . 0 0 "[ . 1 . 2]" 1
1167 1 20 ILE H 1 20 ILE MG 4.060 . 4.060 3.770 3.764 3.778 . 0 0 "[ . 1 . 2]" 1
1168 1 17 LEU HA 1 20 ILE MG 5.000 . 5.000 4.342 3.987 4.583 . 0 0 "[ . 1 . 2]" 1
1169 1 20 ILE MG 1 24 LEU HG 4.520 . 4.520 2.458 2.124 2.677 . 0 0 "[ . 1 . 2]" 1
1170 1 20 ILE MG 1 24 LEU MD1 3.740 . 3.740 1.930 1.798 2.209 0.002 7 0 "[ . 1 . 2]" 1
1171 1 51 ILE MG 1 57 MET H 4.180 . 4.180 3.179 3.062 3.312 . 0 0 "[ . 1 . 2]" 1
1172 1 51 ILE H 1 51 ILE MG 4.170 . 4.170 3.771 3.762 3.777 . 0 0 "[ . 1 . 2]" 1
1173 1 51 ILE MG 1 66 TRP HZ2 5.270 . 5.270 3.878 3.565 4.140 . 0 0 "[ . 1 . 2]" 1
1174 1 51 ILE MG 1 52 ASN H 4.100 . 4.100 3.459 3.312 3.629 . 0 0 "[ . 1 . 2]" 1
1175 1 51 ILE MG 1 90 TYR QE 5.220 . 5.220 4.780 4.648 4.918 . 0 0 "[ . 1 . 2]" 1
1176 1 51 ILE MG 1 52 ASN HA 4.510 . 4.510 3.575 3.315 3.771 . 0 0 "[ . 1 . 2]" 1
1177 1 51 ILE H 1 51 ILE MD 4.260 . 4.260 3.649 3.528 3.746 . 0 0 "[ . 1 . 2]" 1
1178 1 17 LEU H 1 20 ILE MD 4.750 . 4.750 3.885 3.609 4.128 . 0 0 "[ . 1 . 2]" 1
1179 1 20 ILE MD 1 45 ALA H 5.170 . 5.170 4.114 3.785 4.344 . 0 0 "[ . 1 . 2]" 1
1180 1 20 ILE H 1 20 ILE MD 3.830 . 3.830 3.185 3.008 3.369 . 0 0 "[ . 1 . 2]" 1
1181 1 51 ILE MD 1 66 TRP HH2 3.880 . 3.880 1.968 1.827 2.168 . 0 0 "[ . 1 . 2]" 1
1182 1 51 ILE MD 1 90 TYR QE 4.220 . 4.220 4.244 4.225 4.256 0.036 12 0 "[ . 1 . 2]" 1
1183 1 17 LEU HA 1 20 ILE MD 3.720 . 3.720 2.410 1.953 2.822 . 0 0 "[ . 1 . 2]" 1
1184 1 51 ILE HA 1 51 ILE MD 4.120 . 4.120 3.802 3.746 3.858 . 0 0 "[ . 1 . 2]" 1
1185 1 51 ILE MD 1 57 MET HA 4.440 . 4.440 3.872 3.720 4.021 . 0 0 "[ . 1 . 2]" 1
1186 1 51 ILE MD 1 57 MET ME 3.730 . 3.730 2.612 2.345 2.935 . 0 0 "[ . 1 . 2]" 1
1187 1 70 ALA H 1 75 ILE MD 5.500 . 5.500 5.347 5.224 5.488 . 0 0 "[ . 1 . 2]" 1
1188 1 72 MET H 1 75 ILE MD 5.500 . 5.500 5.086 4.964 5.234 . 0 0 "[ . 1 . 2]" 1
1189 1 74 ARG H 1 75 ILE MD 4.320 . 4.320 2.896 2.805 3.070 . 0 0 "[ . 1 . 2]" 1
1190 1 73 LEU H 1 75 ILE MD 4.290 . 4.290 3.298 3.217 3.389 . 0 0 "[ . 1 . 2]" 1
1191 1 75 ILE HA 1 75 ILE MD 3.820 . 3.820 2.830 2.483 3.063 . 0 0 "[ . 1 . 2]" 1
1192 1 75 ILE MD 1 76 PRO HD2 4.610 . 4.610 4.329 3.992 4.528 . 0 0 "[ . 1 . 2]" 1
1193 1 40 CYS HB3 1 75 ILE MD 4.990 . 4.990 4.763 4.605 4.992 0.002 19 0 "[ . 1 . 2]" 1
1194 1 73 LEU MD1 1 75 ILE MD 3.500 . 3.500 3.418 3.350 3.482 . 0 0 "[ . 1 . 2]" 1
1195 1 25 ARG H 1 25 ARG QD 4.360 . 4.360 3.825 3.312 4.279 . 0 0 "[ . 1 . 2]" 1
1196 1 74 ARG H 1 74 ARG QD 4.000 . 4.000 3.509 2.988 3.995 . 0 0 "[ . 1 . 2]" 1
1197 1 106 ARG HA 1 106 ARG QD 4.280 . 4.280 3.378 1.987 4.249 . 0 0 "[ . 1 . 2]" 1
1198 1 107 ARG HA 1 107 ARG QD 4.310 . 4.310 3.527 2.136 4.263 . 0 0 "[ . 1 . 2]" 1
1199 1 49 ARG HA 1 49 ARG QD 4.750 . 4.750 3.405 1.985 4.566 . 0 0 "[ . 1 . 2]" 1
1200 1 74 ARG HB2 1 74 ARG QD 3.750 . 3.750 2.730 1.932 3.534 . 0 0 "[ . 1 . 2]" 1
1201 1 25 ARG QD 1 30 THR MG 4.630 . 4.630 4.635 4.611 4.641 0.011 1 0 "[ . 1 . 2]" 1
1202 1 110 LYS HA 1 113 LEU HB2 3.760 . 3.760 2.865 2.513 3.109 . 0 0 "[ . 1 . 2]" 1
1203 1 121 LYS HA 1 121 LYS QE 4.700 . 4.700 4.342 3.235 4.703 0.003 12 0 "[ . 1 . 2]" 1
1204 1 22 LYS QE 1 111 GLU HB3 3.750 . 3.750 2.443 1.981 2.942 . 0 0 "[ . 1 . 2]" 1
1205 1 22 LYS QE 1 112 VAL MG2 3.670 . 3.670 2.908 1.912 3.613 . 0 0 "[ . 1 . 2]" 1
1206 1 22 LYS QE 1 108 LEU MD2 3.720 . 3.720 3.309 2.814 3.696 . 0 0 "[ . 1 . 2]" 1
1207 1 118 ILE MG 1 121 LYS QE 4.180 . 4.180 3.160 1.961 4.173 . 0 0 "[ . 1 . 2]" 1
1208 1 21 LYS QB 1 21 LYS HE3 4.190 . 4.190 2.728 1.958 4.114 . 0 0 "[ . 1 . 2]" 1
1209 1 6 LEU HB3 1 7 GLY QA 4.470 . 4.470 3.999 3.795 4.298 . 0 0 "[ . 1 . 2]" 1
1210 1 73 LEU QB 1 75 ILE MD 4.210 . 4.210 1.793 1.764 1.834 0.036 12 0 "[ . 1 . 2]" 1
1211 1 66 TRP HA 1 69 LEU HB3 4.500 . 4.500 2.918 2.201 3.079 . 0 0 "[ . 1 . 2]" 1
1212 1 113 LEU HA 1 116 LYS QE 4.500 . 4.500 2.918 1.859 4.276 . 0 0 "[ . 1 . 2]" 1
1213 1 116 LYS QE 1 117 GLU QB 5.350 . 5.350 4.398 3.830 5.356 0.006 9 0 "[ . 1 . 2]" 1
1214 1 9 ARG QB 1 116 LYS QE 4.450 . 4.450 2.836 1.859 3.892 . 0 0 "[ . 1 . 2]" 1
1215 1 13 ASN QB 1 14 VAL MG2 4.380 . 4.380 3.287 2.799 3.999 . 0 0 "[ . 1 . 2]" 1
1216 1 115 GLU HA 1 115 GLU HG2 3.820 . 3.820 2.427 2.153 2.650 . 0 0 "[ . 1 . 2]" 1
1217 1 109 GLU HA 1 109 GLU HG3 4.150 . 4.150 2.469 2.436 2.509 . 0 0 "[ . 1 . 2]" 1
1218 1 114 MET HA 1 117 GLU HG3 3.890 . 3.890 3.307 2.986 3.609 . 0 0 "[ . 1 . 2]" 1
1219 1 88 GLU H 1 88 GLU HG3 3.930 . 3.930 2.755 2.205 3.566 . 0 0 "[ . 1 . 2]" 1
1220 1 59 GLN H 1 59 GLN HG3 4.890 . 4.890 4.016 3.464 4.290 . 0 0 "[ . 1 . 2]" 1
1221 1 114 MET QB 1 118 ILE H 4.920 . 4.920 4.108 3.982 4.233 . 0 0 "[ . 1 . 2]" 1
1222 1 21 LYS QB 1 22 LYS H 3.960 . 3.960 2.695 2.364 3.530 . 0 0 "[ . 1 . 2]" 1
1223 1 6 LEU HA 1 7 GLY QA 4.390 . 4.390 4.002 3.898 4.116 . 0 0 "[ . 1 . 2]" 1
1224 1 7 GLY QA 1 8 ARG HA 4.720 . 4.720 4.010 3.935 4.281 . 0 0 "[ . 1 . 2]" 1
1225 1 6 LEU HB2 1 7 GLY QA 4.430 . 4.430 4.072 3.810 4.391 . 0 0 "[ . 1 . 2]" 1
1226 1 7 GLY QA 1 8 ARG QG 5.060 . 5.060 3.950 2.946 5.071 0.011 2 0 "[ . 1 . 2]" 1
1227 1 61 THR HB 1 66 TRP HZ2 4.700 . 4.700 4.062 3.924 4.291 . 0 0 "[ . 1 . 2]" 1
1228 1 112 VAL HA 1 115 GLU QB 4.100 . 4.100 2.402 2.253 2.558 . 0 0 "[ . 1 . 2]" 1
1229 1 51 ILE HA 1 69 LEU MD1 5.500 . 5.500 2.484 2.334 2.687 . 0 0 "[ . 1 . 2]" 1
1230 1 51 ILE HA 1 60 VAL MG2 4.440 . 4.440 2.057 1.931 2.373 . 0 0 "[ . 1 . 2]" 1
1231 1 90 TYR QD 1 91 CYS HA 4.290 . 4.290 3.508 3.302 3.694 . 0 0 "[ . 1 . 2]" 1
1232 1 1 GLY QA 1 2 PRO HA 4.430 . 4.430 4.129 4.034 4.300 . 0 0 "[ . 1 . 2]" 1
1233 1 36 LEU HB3 1 37 ILE HA 4.390 . 4.390 4.094 4.071 4.137 . 0 0 "[ . 1 . 2]" 1
1234 1 60 VAL MG2 1 66 TRP HA 5.030 . 5.030 4.768 4.605 4.939 . 0 0 "[ . 1 . 2]" 1
1235 1 105 HIS HA 1 108 LEU MD1 3.990 . 3.990 3.443 3.216 3.623 . 0 0 "[ . 1 . 2]" 1
1236 1 23 HIS HA 1 108 LEU MD1 4.450 . 4.450 2.470 1.965 3.064 . 0 0 "[ . 1 . 2]" 1
1237 1 23 HIS HA 1 108 LEU MD2 4.620 . 4.620 2.890 2.412 3.802 . 0 0 "[ . 1 . 2]" 1
1238 1 58 GLN H 1 59 GLN HA 5.490 . 5.490 5.414 5.376 5.489 . 0 0 "[ . 1 . 2]" 1
1239 1 22 LYS QE 1 111 GLU HA 5.500 . 5.500 4.928 4.497 5.358 . 0 0 "[ . 1 . 2]" 1
1240 1 111 GLU HA 1 114 MET HG3 4.340 . 4.340 3.741 3.609 3.957 . 0 0 "[ . 1 . 2]" 1
1241 1 109 GLU HA 1 112 VAL H 4.320 . 4.320 3.569 3.492 3.648 . 0 0 "[ . 1 . 2]" 1
1242 1 95 LEU HA 1 98 ASP QB 4.520 . 4.520 2.933 2.484 3.980 . 0 0 "[ . 1 . 2]" 1
1243 1 109 GLU HA 1 109 GLU HG2 3.820 . 3.820 3.401 3.342 3.484 . 0 0 "[ . 1 . 2]" 1
1244 1 95 LEU HA 1 95 LEU HG 3.830 . 3.830 3.607 3.598 3.617 . 0 0 "[ . 1 . 2]" 1
1245 1 75 ILE MG 1 77 LYS HA 4.300 . 4.300 3.886 3.675 4.125 . 0 0 "[ . 1 . 2]" 1
1246 1 47 PHE HA 1 47 PHE QD 4.070 . 4.070 2.614 2.143 2.973 . 0 0 "[ . 1 . 2]" 1
1247 1 47 PHE HA 1 73 LEU MD2 3.850 . 3.850 2.689 2.373 3.018 . 0 0 "[ . 1 . 2]" 1
1248 1 15 GLN HA 1 15 GLN QG 3.790 . 3.790 2.618 2.254 3.102 . 0 0 "[ . 1 . 2]" 1
1249 1 44 LEU HA 1 47 PHE H 3.790 . 3.790 3.460 3.357 3.639 . 0 0 "[ . 1 . 2]" 1
1250 1 116 LYS QE 1 117 GLU HA 4.850 . 4.850 4.241 3.467 4.850 . 0 0 "[ . 1 . 2]" 1
1251 1 20 ILE MD 1 44 LEU HA 4.650 . 4.650 3.960 3.671 4.358 . 0 0 "[ . 1 . 2]" 1
1252 1 71 ASP HA 1 75 ILE H 4.180 . 4.180 3.204 3.067 3.312 . 0 0 "[ . 1 . 2]" 1
1253 1 64 LYS HA 1 67 ASN H 5.500 . 5.500 5.507 5.000 5.557 0.057 12 0 "[ . 1 . 2]" 1
1254 1 52 ASN HA 1 56 GLY HA3 4.810 . 4.810 4.180 3.784 4.516 . 0 0 "[ . 1 . 2]" 1
1255 1 41 GLU HA 1 41 GLU HG2 4.010 . 4.010 2.964 2.374 3.397 . 0 0 "[ . 1 . 2]" 1
1256 1 41 GLU HA 1 41 GLU HG3 4.010 . 4.010 2.256 2.069 2.683 . 0 0 "[ . 1 . 2]" 1
1257 1 36 LEU HG 1 41 GLU HA 4.150 . 4.150 3.550 3.508 3.607 . 0 0 "[ . 1 . 2]" 1
1258 1 10 TRP HA 1 11 GLY QA 4.290 . 4.290 4.152 3.956 4.191 . 0 0 "[ . 1 . 2]" 1
1259 1 40 CYS HA 1 41 GLU HB2 4.410 . 4.410 4.366 4.276 4.415 0.005 14 0 "[ . 1 . 2]" 1
1260 1 73 LEU HA 1 73 LEU MD2 3.570 . 3.570 2.146 1.979 2.356 . 0 0 "[ . 1 . 2]" 1
1261 1 13 ASN HA 1 16 ARG H 4.080 . 4.080 3.646 3.438 3.882 . 0 0 "[ . 1 . 2]" 1
1262 1 31 MET HA 1 31 MET HG2 3.880 . 3.880 2.490 2.118 2.703 . 0 0 "[ . 1 . 2]" 1
1263 1 31 MET HA 1 31 MET HG3 3.880 . 3.880 2.523 2.291 3.085 . 0 0 "[ . 1 . 2]" 1
1264 1 12 PRO QG 1 13 ASN HA 4.150 . 4.150 4.148 4.108 4.164 0.014 5 0 "[ . 1 . 2]" 1
1265 1 12 PRO HB2 1 13 ASN HA 4.140 . 4.140 4.020 3.897 4.067 . 0 0 "[ . 1 . 2]" 1
1266 1 30 THR MG 1 32 ASP HA 4.650 . 4.650 4.624 4.396 4.661 0.011 13 0 "[ . 1 . 2]" 1
1267 1 70 ALA HA 1 73 LEU MD1 4.700 . 4.700 4.582 4.502 4.664 . 0 0 "[ . 1 . 2]" 1
1268 1 70 ALA HA 1 86 LEU MD1 5.040 . 5.040 4.561 3.895 4.732 . 0 0 "[ . 1 . 2]" 1
1269 1 80 GLN HA 1 81 ASP HA 4.950 . 4.950 4.680 4.429 4.817 . 0 0 "[ . 1 . 2]" 1
1270 1 81 ASP HA 1 84 ALA MB 4.080 . 4.080 2.941 2.730 3.140 . 0 0 "[ . 1 . 2]" 1
1271 1 37 ILE MD 1 89 ALA HA 4.740 . 4.740 4.704 4.573 4.750 0.010 5 0 "[ . 1 . 2]" 1
1272 1 75 ILE MG 1 76 PRO HD2 4.430 . 4.430 1.870 1.826 1.920 . 0 0 "[ . 1 . 2]" 1
1273 1 48 PHE HA 1 48 PHE QD 4.200 . 4.200 2.898 2.451 3.116 . 0 0 "[ . 1 . 2]" 1
1274 1 48 PHE QD 1 94 LEU MD2 4.600 . 4.600 2.589 1.920 4.263 . 0 0 "[ . 1 . 2]" 1
1275 1 10 TRP HZ3 1 14 VAL MG1 4.660 . 4.660 4.183 3.515 4.379 . 0 0 "[ . 1 . 2]" 1
1276 1 90 TYR QE 1 95 LEU HA 5.500 . 5.500 4.830 4.572 4.999 . 0 0 "[ . 1 . 2]" 1
1277 1 90 TYR QE 1 95 LEU HG 4.240 . 4.240 4.001 3.579 4.254 0.014 15 0 "[ . 1 . 2]" 1
1278 1 90 TYR QE 1 95 LEU HB2 4.800 . 4.800 4.624 4.479 4.738 . 0 0 "[ . 1 . 2]" 1
1279 1 90 TYR QE 1 95 LEU MD1 3.980 . 3.980 3.986 3.952 4.003 0.023 8 0 "[ . 1 . 2]" 1
1280 1 92 GLN HE21 1 93 TYR QE 4.400 . 4.400 3.449 2.292 4.381 . 0 0 "[ . 1 . 2]" 1
1281 1 89 ALA HA 1 93 TYR QE 4.090 . 4.090 3.639 3.504 3.803 . 0 0 "[ . 1 . 2]" 1
1282 1 29 ILE HB 1 93 TYR QE 4.700 . 4.700 4.632 4.417 4.706 0.006 10 0 "[ . 1 . 2]" 1
1283 1 24 LEU MD1 1 93 TYR QE 4.590 . 4.590 2.770 2.258 3.341 . 0 0 "[ . 1 . 2]" 1
1284 1 29 ILE MG 1 93 TYR QE 3.680 . 3.680 2.494 2.223 2.689 . 0 0 "[ . 1 . 2]" 1
1285 1 29 ILE MD 1 93 TYR QE 4.900 . 4.900 3.902 3.285 4.786 . 0 0 "[ . 1 . 2]" 1
1286 1 44 LEU MD2 1 93 TYR QE 5.260 . 5.260 4.641 4.262 4.911 . 0 0 "[ . 1 . 2]" 1
1287 1 44 LEU MD1 1 93 TYR QE 5.260 . 5.260 4.791 4.611 5.241 . 0 0 "[ . 1 . 2]" 1
1288 1 10 TRP HZ2 1 15 GLN QG 4.410 . 4.410 3.931 3.269 4.450 0.040 7 0 "[ . 1 . 2]" 1
1289 1 10 TRP HZ2 1 112 VAL MG1 4.300 . 4.300 1.838 1.801 1.987 . 0 0 "[ . 1 . 2]" 1
1290 1 97 TYR QE 1 108 LEU MD1 4.390 . 4.390 2.633 2.032 3.709 . 0 0 "[ . 1 . 2]" 1
1291 1 66 TRP HE1 1 69 LEU MD1 4.910 . 4.910 4.777 4.705 4.935 0.025 16 0 "[ . 1 . 2]" 1
1292 1 66 TRP HE1 1 69 LEU MD2 4.910 . 4.910 4.755 4.630 4.819 . 0 0 "[ . 1 . 2]" 1
1293 1 102 PRO HA 1 105 HIS HD2 4.630 . 4.630 4.149 2.929 4.633 0.003 4 0 "[ . 1 . 2]" 1
1294 1 97 TYR HA 1 97 TYR QD 4.510 . 4.510 2.315 1.987 3.014 . 0 0 "[ . 1 . 2]" 1
1295 1 97 TYR QD 1 108 LEU MD1 4.360 . 4.360 3.529 3.174 4.256 . 0 0 "[ . 1 . 2]" 1
1296 1 51 ILE MD 1 90 TYR QD 4.430 . 4.430 3.498 3.367 3.682 . 0 0 "[ . 1 . 2]" 1
1297 1 44 LEU HG 1 93 TYR QD 5.150 . 5.150 4.648 4.362 5.152 0.002 16 0 "[ . 1 . 2]" 1
1298 1 29 ILE MG 1 93 TYR QD 4.120 . 4.120 3.547 3.298 3.937 . 0 0 "[ . 1 . 2]" 1
1299 1 10 TRP HD1 1 11 GLY H 4.430 . 4.430 2.177 1.922 3.849 . 0 0 "[ . 1 . 2]" 1
1300 1 29 ILE HB 1 29 ILE MD 3.570 . 3.570 2.232 2.092 2.298 . 0 0 "[ . 1 . 2]" 1
1301 1 37 ILE MD 1 86 LEU HA 3.580 . 3.580 1.889 1.813 2.069 . 0 0 "[ . 1 . 2]" 1
1302 1 72 MET H 1 72 MET HG3 4.610 . 4.610 3.343 2.660 3.977 . 0 0 "[ . 1 . 2]" 1
1303 1 72 MET H 1 72 MET HG2 4.610 . 4.610 4.105 2.916 4.571 . 0 0 "[ . 1 . 2]" 1
1304 1 114 MET HG3 1 118 ILE HB 5.020 . 5.020 4.457 4.414 4.503 . 0 0 "[ . 1 . 2]" 1
1305 1 110 LYS QB 1 114 MET HG2 4.780 . 4.780 4.550 4.496 4.766 . 0 0 "[ . 1 . 2]" 1
1306 1 47 PHE HA 1 73 LEU MD1 4.650 . 4.650 2.910 2.522 3.280 . 0 0 "[ . 1 . 2]" 1
1307 1 45 ALA H 1 46 CYS HB2 5.500 . 5.500 4.898 4.691 5.190 . 0 0 "[ . 1 . 2]" 1
1308 1 83 LEU HA 1 86 LEU MD1 5.230 . 5.230 5.139 3.972 5.253 0.023 20 0 "[ . 1 . 2]" 1
1309 1 100 LEU MD1 1 104 GLU QB 4.750 . 4.750 2.506 1.800 3.944 0.000 7 0 "[ . 1 . 2]" 1
1310 1 60 VAL MG2 1 61 THR MG 4.930 . 4.930 4.727 4.587 4.878 . 0 0 "[ . 1 . 2]" 1
1311 1 59 GLN HE21 1 61 THR MG 5.500 . 5.500 5.501 5.346 5.527 0.027 20 0 "[ . 1 . 2]" 1
1312 1 60 VAL MG1 1 66 TRP HD1 4.720 . 4.720 3.003 2.604 3.180 . 0 0 "[ . 1 . 2]" 1
1313 1 60 VAL MG1 1 66 TRP HA 4.640 . 4.640 2.726 2.640 2.822 . 0 0 "[ . 1 . 2]" 1
1314 1 57 MET ME 1 60 VAL MG1 4.840 . 4.840 2.287 1.926 2.746 . 0 0 "[ . 1 . 2]" 1
1315 1 20 ILE MG 1 23 HIS H 5.090 . 5.090 4.667 4.512 4.863 . 0 0 "[ . 1 . 2]" 1
1316 1 51 ILE MG 1 58 GLN H 5.240 . 5.240 4.509 4.452 4.559 . 0 0 "[ . 1 . 2]" 1
1317 1 51 ILE MG 1 56 GLY H 4.580 . 4.580 4.174 3.731 4.511 . 0 0 "[ . 1 . 2]" 1
1318 1 51 ILE MG 1 66 TRP HZ3 5.500 . 5.500 5.540 5.517 5.553 0.053 11 0 "[ . 1 . 2]" 1
1319 1 20 ILE MD 1 21 LYS H 4.600 . 4.600 4.261 4.067 4.456 . 0 0 "[ . 1 . 2]" 1
1320 1 51 ILE MD 1 57 MET H 5.480 . 5.480 5.490 5.345 5.528 0.048 19 0 "[ . 1 . 2]" 1
1321 1 48 PHE QD 1 51 ILE MD 5.430 . 5.430 4.307 3.697 4.820 . 0 0 "[ . 1 . 2]" 1
1322 1 36 LEU HB2 1 37 ILE H 4.700 . 4.700 4.122 4.067 4.155 . 0 0 "[ . 1 . 2]" 1
1323 1 75 ILE MG 1 82 ARG QD 4.780 . 4.780 1.885 1.787 2.164 0.013 3 0 "[ . 1 . 2]" 1
1324 1 116 LYS QG 1 117 GLU HG2 4.960 . 4.960 2.827 1.976 3.835 . 0 0 "[ . 1 . 2]" 1
1325 1 29 ILE MG 1 30 THR HB 4.980 . 4.980 4.847 4.727 4.964 . 0 0 "[ . 1 . 2]" 1
1326 1 102 PRO HA 1 105 HIS HB2 4.700 . 4.700 2.425 2.125 2.611 . 0 0 "[ . 1 . 2]" 1
1327 1 102 PRO HA 1 105 HIS HB3 4.700 . 4.700 3.835 3.291 4.196 . 0 0 "[ . 1 . 2]" 1
1328 1 82 ARG HA 1 86 LEU H 5.500 . 5.500 3.790 3.649 3.992 . 0 0 "[ . 1 . 2]" 1
1329 1 49 ARG HA 1 51 ILE H 4.690 . 4.690 4.567 4.300 4.697 0.007 15 0 "[ . 1 . 2]" 1
1330 1 10 TRP HH2 1 15 GLN HA 5.500 . 5.500 5.291 4.912 5.519 0.019 4 0 "[ . 1 . 2]" 1
1331 1 48 PHE QD 1 94 LEU MD1 4.600 . 4.600 2.871 1.876 3.889 . 0 0 "[ . 1 . 2]" 1
1332 1 87 GLN HG2 1 90 TYR QE 5.070 . 5.070 2.737 2.157 3.944 . 0 0 "[ . 1 . 2]" 1
1333 1 10 TRP HZ2 1 113 LEU HA 4.810 . 4.810 3.833 3.469 4.163 . 0 0 "[ . 1 . 2]" 1
1334 1 10 TRP HZ2 1 15 GLN HA 4.780 . 4.780 3.188 2.676 3.459 . 0 0 "[ . 1 . 2]" 1
1335 1 10 TRP HZ2 1 18 ALA MB 4.640 . 4.640 2.902 2.372 3.389 . 0 0 "[ . 1 . 2]" 1
1336 1 66 TRP HE1 1 86 LEU HG 5.130 . 5.130 5.205 5.184 5.225 0.095 4 0 "[ . 1 . 2]" 1
1337 1 94 LEU HA 1 97 TYR QD 4.810 . 4.810 4.271 3.921 4.796 . 0 0 "[ . 1 . 2]" 1
1338 1 87 GLN HA 1 90 TYR QD 4.760 . 4.760 1.940 1.900 2.028 . 0 0 "[ . 1 . 2]" 1
1339 1 10 TRP HD1 1 11 GLY QA 4.750 . 4.750 3.487 3.374 4.058 . 0 0 "[ . 1 . 2]" 1
1340 1 10 TRP HD1 1 116 LYS QE 5.070 . 5.070 4.100 3.091 4.858 . 0 0 "[ . 1 . 2]" 1
1341 1 10 TRP HD1 1 14 VAL MG1 4.720 . 4.720 3.467 3.275 3.927 . 0 0 "[ . 1 . 2]" 1
1342 1 64 LYS HA 1 66 TRP HD1 5.420 . 5.420 3.644 3.336 3.774 . 0 0 "[ . 1 . 2]" 1
1343 1 66 TRP HE1 1 86 LEU MD1 4.950 . 4.950 5.036 5.022 5.093 0.143 16 0 "[ . 1 . 2]" 1
1344 1 47 PHE QD 1 86 LEU MD1 4.930 . 4.930 3.907 3.511 4.215 . 0 0 "[ . 1 . 2]" 1
1345 1 60 VAL MG1 1 65 LYS H 4.850 . 4.850 3.557 2.799 3.735 . 0 0 "[ . 1 . 2]" 1
1346 1 97 TYR HA 1 100 LEU MD2 4.910 . 4.910 3.472 2.468 4.754 . 0 0 "[ . 1 . 2]" 1
1347 1 45 ALA MB 1 48 PHE QD 5.500 . 5.500 5.323 5.049 5.502 0.002 19 0 "[ . 1 . 2]" 1
1348 1 90 TYR QE 1 91 CYS HA 4.930 . 4.930 3.689 3.551 3.801 . 0 0 "[ . 1 . 2]" 1
1349 1 10 TRP HZ2 1 15 GLN QB 5.210 . 5.210 4.407 3.931 4.932 . 0 0 "[ . 1 . 2]" 1
1350 1 10 TRP HE1 1 14 VAL MG2 5.220 . 5.220 5.145 5.018 5.230 0.010 6 0 "[ . 1 . 2]" 1
1351 1 57 MET ME 1 90 TYR QD 4.940 . 4.940 3.461 3.312 3.532 . 0 0 "[ . 1 . 2]" 1
1352 1 37 ILE MG 1 38 GLY HA3 5.350 . 5.350 3.808 3.710 3.883 . 0 0 "[ . 1 . 2]" 1
1353 1 57 MET HG3 1 66 TRP HZ2 5.500 . 5.500 4.847 4.555 5.528 0.028 18 0 "[ . 1 . 2]" 1
1354 1 57 MET HG2 1 66 TRP HZ2 5.500 . 5.500 4.560 3.633 5.125 . 0 0 "[ . 1 . 2]" 1
1355 1 92 GLN H 1 93 TYR QE 5.500 . 5.500 5.079 4.915 5.293 . 0 0 "[ . 1 . 2]" 1
1356 1 90 TYR QE 1 91 CYS H 5.460 . 5.460 4.033 3.754 4.222 . 0 0 "[ . 1 . 2]" 1
1357 1 31 MET HA 1 93 TYR QE 5.500 . 5.500 5.268 4.741 5.510 0.010 16 0 "[ . 1 . 2]" 1
1358 1 105 HIS HD2 1 108 LEU MD1 5.450 . 5.450 4.567 3.799 5.390 . 0 0 "[ . 1 . 2]" 1
1359 1 87 GLN HG3 1 90 TYR QE 5.070 . 5.070 3.427 1.988 4.358 . 0 0 "[ . 1 . 2]" 1
1360 1 57 MET HG3 1 90 TYR QE 5.350 . 5.350 3.442 2.860 4.425 . 0 0 "[ . 1 . 2]" 1
1361 1 57 MET HG2 1 90 TYR QE 5.350 . 5.350 3.576 2.607 4.921 . 0 0 "[ . 1 . 2]" 1
1362 1 24 LEU HB3 1 93 TYR QE 5.150 . 5.150 4.297 4.134 4.504 . 0 0 "[ . 1 . 2]" 1
1363 1 20 ILE MD 1 97 TYR QE 5.440 . 5.440 4.167 3.401 5.172 . 0 0 "[ . 1 . 2]" 1
1364 1 66 TRP HA 1 66 TRP HE1 4.970 . 4.970 5.080 5.056 5.155 0.185 16 0 "[ . 1 . 2]" 1
1365 1 10 TRP HZ3 1 112 VAL MG1 5.500 . 5.500 4.082 3.852 4.569 . 0 0 "[ . 1 . 2]" 1
1366 1 66 TRP HA 1 66 TRP HZ3 5.500 . 5.500 5.269 5.219 5.383 . 0 0 "[ . 1 . 2]" 1
1367 1 10 TRP HH2 1 113 LEU HA 5.500 . 5.500 5.275 4.938 5.512 0.012 6 0 "[ . 1 . 2]" 1
1368 1 10 TRP HH2 1 116 LYS HA 5.500 . 5.500 4.883 4.561 5.385 . 0 0 "[ . 1 . 2]" 1
1369 1 10 TRP HH2 1 116 LYS QG 5.070 . 5.070 3.918 3.086 4.674 . 0 0 "[ . 1 . 2]" 1
1370 1 10 TRP HH2 1 112 VAL HB 5.500 . 5.500 4.791 4.564 5.338 . 0 0 "[ . 1 . 2]" 1
1371 1 10 TRP HD1 1 14 VAL HB 5.500 . 5.500 2.424 2.324 2.843 . 0 0 "[ . 1 . 2]" 1
1372 1 10 TRP HD1 1 15 GLN QB 5.500 . 5.500 3.202 2.813 3.427 . 0 0 "[ . 1 . 2]" 1
1373 1 9 ARG QB 1 10 TRP HD1 5.250 . 5.250 3.670 3.326 4.307 . 0 0 "[ . 1 . 2]" 1
1374 1 10 TRP HD1 1 18 ALA MB 5.500 . 5.500 5.469 5.315 5.520 0.020 9 0 "[ . 1 . 2]" 1
1375 1 9 ARG QG 1 10 TRP HD1 5.500 . 5.500 5.045 4.581 5.513 0.013 6 0 "[ . 1 . 2]" 1
1376 1 61 THR MG 1 66 TRP HD1 5.460 . 5.460 5.367 5.275 5.460 . 0 0 "[ . 1 . 2]" 1
1377 1 47 PHE QD 1 48 PHE H 5.280 . 5.280 4.537 4.473 4.605 . 0 0 "[ . 1 . 2]" 1
1378 1 47 PHE QD 1 66 TRP HH2 5.500 . 5.500 3.792 3.196 4.265 . 0 0 "[ . 1 . 2]" 1
1379 1 44 LEU HA 1 47 PHE QD 5.300 . 5.300 3.819 3.381 4.148 . 0 0 "[ . 1 . 2]" 1
1380 1 47 PHE QD 1 48 PHE HA 5.450 . 5.450 5.014 4.854 5.202 . 0 0 "[ . 1 . 2]" 1
1381 1 48 PHE QD 1 97 TYR QD 5.500 . 5.500 4.259 3.445 4.936 . 0 0 "[ . 1 . 2]" 1
1382 1 48 PHE QE 1 97 TYR QD 5.500 . 5.500 3.520 2.280 4.545 . 0 0 "[ . 1 . 2]" 1
1383 1 23 HIS HD2 1 97 TYR QD 5.200 . 5.200 3.009 2.147 4.387 . 0 0 "[ . 1 . 2]" 1
1384 1 20 ILE MG 1 97 TYR QD 5.260 . 5.260 3.897 3.131 4.821 . 0 0 "[ . 1 . 2]" 1
1385 1 97 TYR QD 1 100 LEU MD2 5.500 . 5.500 4.012 2.942 5.401 . 0 0 "[ . 1 . 2]" 1
1386 1 90 TYR QD 1 95 LEU HG 5.230 . 5.230 4.789 4.393 5.132 . 0 0 "[ . 1 . 2]" 1
1387 1 100 LEU MD1 1 105 HIS HA 5.500 . 5.500 4.582 3.605 5.519 0.019 8 0 "[ . 1 . 2]" 1
1388 1 60 VAL MG1 1 61 THR HA 5.180 . 5.180 3.356 3.268 3.555 . 0 0 "[ . 1 . 2]" 1
1389 1 16 ARG HA 1 20 ILE MD 4.250 . 4.250 3.670 3.413 3.984 . 0 0 "[ . 1 . 2]" 1
1390 1 51 ILE MG 1 56 GLY HA3 4.780 . 4.780 4.511 4.252 4.680 . 0 0 "[ . 1 . 2]" 1
1391 1 51 ILE MG 1 56 GLY HA2 4.780 . 4.780 3.626 3.316 3.873 . 0 0 "[ . 1 . 2]" 1
1392 1 80 GLN H 1 83 LEU MD2 5.290 . 5.290 5.166 4.907 5.322 0.032 16 0 "[ . 1 . 2]" 1
1393 1 1 GLY QA 1 3 LEU QD 4.710 . 4.710 4.133 3.077 4.713 0.003 5 0 "[ . 1 . 2]" 1
1394 1 2 PRO QB 1 3 LEU H 3.740 . 3.740 2.958 2.191 3.269 . 0 0 "[ . 1 . 2]" 1
1395 1 2 PRO QG 1 3 LEU QD 4.260 . 4.260 3.143 2.085 4.243 . 0 0 "[ . 1 . 2]" 1
1396 1 2 PRO QD 1 3 LEU QD 3.930 . 3.930 3.263 2.565 3.831 . 0 0 "[ . 1 . 2]" 1
1397 1 3 LEU H 1 3 LEU QB 2.840 . 2.840 2.453 2.249 2.812 . 0 0 "[ . 1 . 2]" 1
1398 1 3 LEU H 1 3 LEU QD 3.960 . 3.960 2.595 1.944 3.168 . 0 0 "[ . 1 . 2]" 1
1399 1 3 LEU QD 1 4 GLY H 4.000 . 4.000 3.324 2.669 3.711 . 0 0 "[ . 1 . 2]" 1
1400 1 3 LEU QD 1 4 GLY QA 4.990 . 4.990 4.450 3.236 4.826 . 0 0 "[ . 1 . 2]" 1
1401 1 5 SER H 1 5 SER QB 3.640 . 3.640 2.876 2.215 3.407 . 0 0 "[ . 1 . 2]" 1
1402 1 5 SER QB 1 6 LEU H 4.230 . 4.230 3.857 3.587 4.047 . 0 0 "[ . 1 . 2]" 1
1403 1 10 TRP H 1 10 TRP QB 3.220 . 3.220 2.774 2.595 2.953 . 0 0 "[ . 1 . 2]" 1
1404 1 10 TRP QB 1 10 TRP HE1 4.640 . 4.640 4.556 4.538 4.579 . 0 0 "[ . 1 . 2]" 1
1405 1 10 TRP QB 1 11 GLY H 3.910 . 3.910 3.518 2.076 3.792 . 0 0 "[ . 1 . 2]" 1
1406 1 10 TRP HD1 1 113 LEU QD 5.390 . 5.390 5.182 4.720 5.399 0.009 4 0 "[ . 1 . 2]" 1
1407 1 10 TRP HE1 1 15 GLN QE 5.020 . 5.020 4.551 4.277 4.754 . 0 0 "[ . 1 . 2]" 1
1408 1 10 TRP HE1 1 113 LEU QD 3.650 . 3.650 3.430 3.194 3.654 0.004 9 0 "[ . 1 . 2]" 1
1409 1 10 TRP HE1 1 116 LYS QD 5.340 . 5.340 2.843 2.184 4.831 . 0 0 "[ . 1 . 2]" 1
1410 1 10 TRP HZ3 1 116 LYS QD 5.340 . 5.340 4.857 4.364 5.343 0.003 18 0 "[ . 1 . 2]" 1
1411 1 10 TRP HZ2 1 113 LEU QD 4.040 . 4.040 3.459 3.126 3.814 . 0 0 "[ . 1 . 2]" 1
1412 1 10 TRP HZ2 1 116 LYS QB 5.160 . 5.160 3.477 3.160 4.031 . 0 0 "[ . 1 . 2]" 1
1413 1 11 GLY QA 1 13 ASN QD 4.440 . 4.440 3.573 2.709 4.208 . 0 0 "[ . 1 . 2]" 1
1414 1 12 PRO HB2 1 13 ASN QD 4.880 . 4.880 4.458 3.978 4.895 0.015 5 0 "[ . 1 . 2]" 1
1415 1 12 PRO QG 1 13 ASN QD 4.180 . 4.180 2.702 2.269 3.514 . 0 0 "[ . 1 . 2]" 1
1416 1 13 ASN H 1 13 ASN QD 3.780 . 3.780 2.297 1.974 2.820 . 0 0 "[ . 1 . 2]" 1
1417 1 13 ASN QD 1 14 VAL MG2 4.200 . 4.200 3.720 2.065 4.201 0.001 10 0 "[ . 1 . 2]" 1
1418 1 13 ASN QD 1 45 ALA MB 4.740 . 4.740 4.511 3.877 4.742 0.002 16 0 "[ . 1 . 2]" 1
1419 1 15 GLN HA 1 15 GLN QE 4.540 . 4.540 3.316 3.114 3.820 . 0 0 "[ . 1 . 2]" 1
1420 1 15 GLN QB 1 15 GLN QE 3.870 . 3.870 3.512 2.917 3.667 . 0 0 "[ . 1 . 2]" 1
1421 1 15 GLN QE 1 15 GLN QG 2.980 . 2.980 2.081 2.067 2.159 . 0 0 "[ . 1 . 2]" 1
1422 1 15 GLN QE 1 16 ARG H 5.340 . 5.340 4.616 4.098 5.119 . 0 0 "[ . 1 . 2]" 1
1423 1 15 GLN QE 1 19 CYS HA 4.730 . 4.730 3.778 3.052 4.455 . 0 0 "[ . 1 . 2]" 1
1424 1 15 GLN QE 1 109 GLU HB2 4.070 . 4.070 3.810 3.310 4.074 0.004 14 0 "[ . 1 . 2]" 1
1425 1 15 GLN QE 1 112 VAL MG1 4.590 . 4.590 3.103 2.232 3.854 . 0 0 "[ . 1 . 2]" 1
1426 1 15 GLN QE 1 112 VAL MG2 4.690 . 4.690 3.666 2.568 4.478 . 0 0 "[ . 1 . 2]" 1
1427 1 15 GLN QE 1 113 LEU HA 5.340 . 5.340 4.825 4.414 5.234 . 0 0 "[ . 1 . 2]" 1
1428 1 15 GLN QE 1 113 LEU QD 3.310 . 3.310 2.373 1.962 2.802 . 0 0 "[ . 1 . 2]" 1
1429 1 17 LEU H 1 17 LEU QD 4.770 . 4.770 3.697 3.554 3.749 . 0 0 "[ . 1 . 2]" 1
1430 1 17 LEU HA 1 17 LEU QD 3.520 . 3.520 2.826 1.909 3.083 . 0 0 "[ . 1 . 2]" 1
1431 1 17 LEU QD 1 18 ALA MB 4.610 . 4.610 3.715 3.517 3.964 . 0 0 "[ . 1 . 2]" 1
1432 1 17 LEU QD 1 20 ILE H 5.160 . 5.160 4.888 4.316 5.151 . 0 0 "[ . 1 . 2]" 1
1433 1 17 LEU QD 1 21 LYS H 4.200 . 4.200 3.815 3.420 4.127 . 0 0 "[ . 1 . 2]" 1
1434 1 17 LEU QD 1 21 LYS QB 3.860 . 3.860 2.645 2.306 3.002 . 0 0 "[ . 1 . 2]" 1
1435 1 17 LEU QD 1 21 LYS QE 4.060 . 4.060 3.785 3.204 4.064 0.004 8 0 "[ . 1 . 2]" 1
1436 1 17 LEU QD 1 31 MET QB 5.280 . 5.280 4.849 4.617 5.070 . 0 0 "[ . 1 . 2]" 1
1437 1 17 LEU QD 1 31 MET ME 3.310 . 3.310 3.198 2.890 3.317 0.007 15 0 "[ . 1 . 2]" 1
1438 1 17 LEU QD 1 43 ASP HA 5.440 . 5.440 2.930 2.369 3.623 . 0 0 "[ . 1 . 2]" 1
1439 1 17 LEU QD 1 44 LEU H 4.670 . 4.670 2.456 1.932 2.973 . 0 0 "[ . 1 . 2]" 1
1440 1 18 ALA HA 1 21 LYS QE 4.220 . 4.220 2.652 1.982 3.159 . 0 0 "[ . 1 . 2]" 1
1441 1 19 CYS HA 1 22 LYS QB 3.580 . 3.580 2.920 2.481 3.213 . 0 0 "[ . 1 . 2]" 1
1442 1 19 CYS QB 1 112 VAL MG1 5.040 . 5.040 4.424 4.119 4.780 . 0 0 "[ . 1 . 2]" 1
1443 1 20 ILE H 1 20 ILE QG 3.900 . 3.900 2.008 1.947 2.228 . 0 0 "[ . 1 . 2]" 1
1444 1 20 ILE HA 1 94 LEU QD 5.440 . 5.440 5.126 4.552 5.449 0.009 13 0 "[ . 1 . 2]" 1
1445 1 20 ILE HB 1 44 LEU QD 4.460 . 4.460 3.215 1.985 4.091 . 0 0 "[ . 1 . 2]" 1
1446 1 20 ILE QG 1 20 ILE MG 3.320 . 3.320 2.131 2.030 2.222 . 0 0 "[ . 1 . 2]" 1
1447 1 20 ILE MG 1 94 LEU QD 3.630 . 3.630 2.609 2.112 3.038 . 0 0 "[ . 1 . 2]" 1
1448 1 20 ILE MD 1 44 LEU QD 4.460 . 4.460 2.625 2.140 3.180 . 0 0 "[ . 1 . 2]" 1
1449 1 20 ILE MD 1 94 LEU QD 3.230 . 3.230 2.593 2.098 2.909 . 0 0 "[ . 1 . 2]" 1
1450 1 21 LYS H 1 22 LYS QB 4.840 . 4.840 4.371 4.284 4.434 . 0 0 "[ . 1 . 2]" 1
1451 1 21 LYS QB 1 21 LYS QE 3.680 . 3.680 2.325 1.909 3.563 . 0 0 "[ . 1 . 2]" 1
1452 1 21 LYS QB 1 22 LYS QB 4.870 . 4.870 4.076 3.790 4.856 . 0 0 "[ . 1 . 2]" 1
1453 1 21 LYS QG 1 31 MET QB 4.790 . 4.790 3.170 2.403 4.804 0.014 15 0 "[ . 1 . 2]" 1
1454 1 21 LYS QE 1 22 LYS QB 4.590 . 4.590 3.610 3.133 4.148 . 0 0 "[ . 1 . 2]" 1
1455 1 21 LYS QE 1 22 LYS QG 3.720 . 3.720 3.603 3.364 3.727 0.007 17 0 "[ . 1 . 2]" 1
1456 1 21 LYS QE 1 112 VAL MG1 4.440 . 4.440 4.313 3.677 4.453 0.013 5 0 "[ . 1 . 2]" 1
1457 1 21 LYS QE 1 112 VAL MG2 4.430 . 4.430 4.301 3.991 4.435 0.005 16 0 "[ . 1 . 2]" 1
1458 1 22 LYS H 1 22 LYS QB 3.020 . 3.020 2.076 2.040 2.095 . 0 0 "[ . 1 . 2]" 1
1459 1 22 LYS QB 1 22 LYS QD 3.170 . 3.170 2.066 1.967 2.125 . 0 0 "[ . 1 . 2]" 1
1460 1 22 LYS QB 1 22 LYS QE 4.010 . 4.010 3.546 3.305 3.665 . 0 0 "[ . 1 . 2]" 1
1461 1 22 LYS QB 1 23 HIS H 3.600 . 3.600 2.599 2.428 2.677 . 0 0 "[ . 1 . 2]" 1
1462 1 22 LYS QB 1 112 VAL MG1 4.880 . 4.880 4.251 3.964 4.557 . 0 0 "[ . 1 . 2]" 1
1463 1 22 LYS QB 1 112 VAL MG2 4.080 . 4.080 2.730 2.493 3.011 . 0 0 "[ . 1 . 2]" 1
1464 1 22 LYS QE 1 111 GLU QG 4.580 . 4.580 3.545 2.922 3.933 . 0 0 "[ . 1 . 2]" 1
1465 1 23 HIS H 1 25 ARG QG 5.340 . 5.340 4.218 4.079 4.416 . 0 0 "[ . 1 . 2]" 1
1466 1 24 LEU H 1 25 ARG QG 5.340 . 5.340 3.996 3.864 4.225 . 0 0 "[ . 1 . 2]" 1
1467 1 24 LEU MD1 1 31 MET QB 4.540 . 4.540 2.882 2.532 3.235 . 0 0 "[ . 1 . 2]" 1
1468 1 24 LEU MD2 1 44 LEU QD 4.580 . 4.580 4.057 3.522 4.565 . 0 0 "[ . 1 . 2]" 1
1469 1 25 ARG HA 1 25 ARG QG 3.690 . 3.690 3.346 3.338 3.353 . 0 0 "[ . 1 . 2]" 1
1470 1 25 ARG QG 1 26 SER HA 4.980 . 4.980 3.425 3.210 3.663 . 0 0 "[ . 1 . 2]" 1
1471 1 25 ARG QG 1 27 GLN H 4.820 . 4.820 4.144 4.100 4.222 . 0 0 "[ . 1 . 2]" 1
1472 1 25 ARG QG 1 30 THR HA 5.340 . 5.340 5.077 4.961 5.218 . 0 0 "[ . 1 . 2]" 1
1473 1 26 SER QB 1 27 GLN QB 4.660 . 4.660 4.197 3.917 4.462 . 0 0 "[ . 1 . 2]" 1
1474 1 26 SER QB 1 27 GLN QE 3.790 . 3.790 3.547 2.422 3.802 0.012 13 0 "[ . 1 . 2]" 1
1475 1 27 GLN H 1 27 GLN QB 3.320 . 3.320 2.283 2.162 2.380 . 0 0 "[ . 1 . 2]" 1
1476 1 27 GLN H 1 27 GLN QE 4.420 . 4.420 3.889 2.967 4.310 . 0 0 "[ . 1 . 2]" 1
1477 1 27 GLN QB 1 28 GLY H 3.600 . 3.600 3.283 3.237 3.343 . 0 0 "[ . 1 . 2]" 1
1478 1 27 GLN QB 1 29 ILE H 3.800 . 3.800 3.192 3.019 3.358 . 0 0 "[ . 1 . 2]" 1
1479 1 27 GLN QB 1 29 ILE MD 4.350 . 4.350 2.435 2.009 2.745 . 0 0 "[ . 1 . 2]" 1
1480 1 27 GLN QE 1 27 GLN QG 3.050 . 3.050 2.342 2.066 2.627 . 0 0 "[ . 1 . 2]" 1
1481 1 29 ILE H 1 29 ILE QG 3.400 . 3.400 2.776 2.544 3.301 . 0 0 "[ . 1 . 2]" 1
1482 1 29 ILE HA 1 29 ILE QG 3.560 . 3.560 2.429 2.326 2.481 . 0 0 "[ . 1 . 2]" 1
1483 1 29 ILE QG 1 29 ILE MG 2.940 . 2.940 2.111 2.016 2.187 . 0 0 "[ . 1 . 2]" 1
1484 1 29 ILE MG 1 31 MET QB 5.340 . 5.340 3.202 2.982 3.647 . 0 0 "[ . 1 . 2]" 1
1485 1 29 ILE MG 1 31 MET QG 4.340 . 4.340 3.012 2.239 3.340 . 0 0 "[ . 1 . 2]" 1
1486 1 29 ILE QG 1 30 THR H 4.610 . 4.610 4.349 4.318 4.392 . 0 0 "[ . 1 . 2]" 1
1487 1 29 ILE MD 1 92 GLN QB 5.340 . 5.340 4.193 3.152 5.029 . 0 0 "[ . 1 . 2]" 1
1488 1 30 THR HA 1 31 MET QB 5.340 . 5.340 4.070 3.933 4.204 . 0 0 "[ . 1 . 2]" 1
1489 1 30 THR HA 1 31 MET QG 5.230 . 5.230 5.170 4.641 5.269 0.039 12 0 "[ . 1 . 2]" 1
1490 1 31 MET H 1 31 MET QG 4.090 . 4.090 3.880 3.413 4.037 . 0 0 "[ . 1 . 2]" 1
1491 1 31 MET HA 1 31 MET QG 3.410 . 3.410 2.196 2.077 2.224 . 0 0 "[ . 1 . 2]" 1
1492 1 31 MET QB 1 32 ASP H 4.200 . 4.200 3.749 3.491 3.820 . 0 0 "[ . 1 . 2]" 1
1493 1 31 MET QB 1 93 TYR QE 5.310 . 5.310 4.050 3.766 4.169 . 0 0 "[ . 1 . 2]" 1
1494 1 31 MET QG 1 32 ASP H 5.160 . 5.160 4.607 4.562 4.666 . 0 0 "[ . 1 . 2]" 1
1495 1 31 MET QG 1 35 PRO HA 3.420 . 3.420 2.960 2.555 3.350 . 0 0 "[ . 1 . 2]" 1
1496 1 31 MET QG 1 35 PRO QB 3.610 . 3.610 2.770 2.299 3.236 . 0 0 "[ . 1 . 2]" 1
1497 1 31 MET QG 1 36 LEU H 4.880 . 4.880 4.724 4.309 4.913 0.033 12 0 "[ . 1 . 2]" 1
1498 1 31 MET QG 1 44 LEU QD 5.280 . 5.280 4.124 3.896 4.353 . 0 0 "[ . 1 . 2]" 1
1499 1 31 MET QG 1 93 TYR QD 5.330 . 5.330 4.573 3.730 4.885 . 0 0 "[ . 1 . 2]" 1
1500 1 31 MET QG 1 93 TYR QE 4.140 . 4.140 2.837 2.208 3.142 . 0 0 "[ . 1 . 2]" 1
1501 1 31 MET ME 1 35 PRO QD 5.010 . 5.010 2.927 2.312 4.346 . 0 0 "[ . 1 . 2]" 1
1502 1 32 ASP QB 1 33 GLU H 3.170 . 3.170 2.771 2.360 2.918 . 0 0 "[ . 1 . 2]" 1
1503 1 32 ASP QB 1 33 GLU QG 4.350 . 4.350 3.548 3.349 4.086 . 0 0 "[ . 1 . 2]" 1
1504 1 33 GLU H 1 33 GLU QB 2.930 . 2.930 2.367 2.201 2.759 . 0 0 "[ . 1 . 2]" 1
1505 1 33 GLU H 1 34 LEU QD 5.440 . 5.440 5.201 4.326 5.452 0.012 17 0 "[ . 1 . 2]" 1
1506 1 34 LEU H 1 34 LEU QD 3.990 . 3.990 3.592 2.489 3.996 0.006 1 0 "[ . 1 . 2]" 1
1507 1 34 LEU H 1 35 PRO QD 4.270 . 4.270 3.920 3.641 4.099 . 0 0 "[ . 1 . 2]" 1
1508 1 34 LEU HA 1 34 LEU QD 3.770 . 3.770 3.056 1.955 3.454 . 0 0 "[ . 1 . 2]" 1
1509 1 34 LEU QD 1 35 PRO QD 4.690 . 4.690 3.118 1.791 4.081 0.009 7 0 "[ . 1 . 2]" 1
1510 1 35 PRO QB 1 44 LEU QD 3.160 . 3.160 2.404 1.998 2.690 . 0 0 "[ . 1 . 2]" 1
1511 1 36 LEU HB3 1 41 GLU QG 5.340 . 5.340 5.335 5.242 5.351 0.011 18 0 "[ . 1 . 2]" 1
1512 1 36 LEU HG 1 39 GLY QA 5.120 . 5.120 3.598 3.521 3.651 . 0 0 "[ . 1 . 2]" 1
1513 1 36 LEU MD2 1 39 GLY QA 3.690 . 3.690 2.459 2.238 2.701 . 0 0 "[ . 1 . 2]" 1
1514 1 37 ILE H 1 37 ILE QG 4.500 . 4.500 4.162 4.127 4.199 . 0 0 "[ . 1 . 2]" 1
1515 1 37 ILE H 1 42 LEU QB 4.520 . 4.520 3.973 3.882 4.215 . 0 0 "[ . 1 . 2]" 1
1516 1 37 ILE MG 1 40 CYS QB 4.080 . 4.080 3.509 3.311 3.612 . 0 0 "[ . 1 . 2]" 1
1517 1 37 ILE MG 1 42 LEU QB 4.300 . 4.300 1.780 1.768 1.792 0.032 2 0 "[ . 1 . 2]" 1
1518 1 37 ILE QG 1 42 LEU HG 4.790 . 4.790 4.235 4.080 4.368 . 0 0 "[ . 1 . 2]" 1
1519 1 37 ILE QG 1 86 LEU MD1 5.300 . 5.300 3.611 3.370 3.887 . 0 0 "[ . 1 . 2]" 1
1520 1 37 ILE MD 1 38 GLY QA 5.340 . 5.340 4.731 4.641 4.799 . 0 0 "[ . 1 . 2]" 1
1521 1 37 ILE MD 1 86 LEU QB 3.610 . 3.610 1.937 1.880 1.968 . 0 0 "[ . 1 . 2]" 1
1522 1 38 GLY QA 1 40 CYS H 4.540 . 4.540 3.526 3.505 3.540 . 0 0 "[ . 1 . 2]" 1
1523 1 40 CYS H 1 40 CYS QB 3.140 . 3.140 2.518 2.466 2.596 . 0 0 "[ . 1 . 2]" 1
1524 1 40 CYS QB 1 41 GLU H 3.740 . 3.740 2.493 2.395 2.632 . 0 0 "[ . 1 . 2]" 1
1525 1 40 CYS QB 1 75 ILE HA 4.850 . 4.850 3.810 3.222 4.350 . 0 0 "[ . 1 . 2]" 1
1526 1 40 CYS QB 1 75 ILE MD 4.220 . 4.220 4.227 4.164 4.245 0.025 7 0 "[ . 1 . 2]" 1
1527 1 40 CYS QB 1 76 PRO HD2 5.340 . 5.340 3.463 2.553 4.285 . 0 0 "[ . 1 . 2]" 1
1528 1 41 GLU H 1 41 GLU QG 3.520 . 3.520 3.419 3.103 3.529 0.009 14 0 "[ . 1 . 2]" 1
1529 1 41 GLU HA 1 41 GLU QG 3.450 . 3.450 2.135 2.047 2.276 . 0 0 "[ . 1 . 2]" 1
1530 1 41 GLU QG 1 42 LEU H 3.880 . 3.880 3.303 2.964 3.489 . 0 0 "[ . 1 . 2]" 1
1531 1 42 LEU H 1 42 LEU QB 3.250 . 3.250 3.001 2.976 3.014 . 0 0 "[ . 1 . 2]" 1
1532 1 42 LEU H 1 44 LEU QD 5.290 . 5.290 4.618 4.527 4.721 . 0 0 "[ . 1 . 2]" 1
1533 1 42 LEU QB 1 42 LEU MD2 3.150 . 3.150 2.089 2.079 2.106 . 0 0 "[ . 1 . 2]" 1
1534 1 42 LEU QB 1 73 LEU MD1 4.170 . 4.170 2.995 2.830 3.160 . 0 0 "[ . 1 . 2]" 1
1535 1 42 LEU MD2 1 47 PHE QB 3.990 . 3.990 2.946 2.764 3.129 . 0 0 "[ . 1 . 2]" 1
1536 1 43 ASP H 1 44 LEU QD 5.070 . 5.070 4.637 4.470 4.853 . 0 0 "[ . 1 . 2]" 1
1537 1 43 ASP HA 1 44 LEU QD 4.030 . 4.030 3.338 3.181 3.548 . 0 0 "[ . 1 . 2]" 1
1538 1 43 ASP QB 1 45 ALA H 5.340 . 5.340 3.456 2.976 4.141 . 0 0 "[ . 1 . 2]" 1
1539 1 43 ASP QB 1 45 ALA MB 5.280 . 5.280 3.547 3.126 4.111 . 0 0 "[ . 1 . 2]" 1
1540 1 44 LEU H 1 44 LEU QD 3.720 . 3.720 1.926 1.877 2.003 . 0 0 "[ . 1 . 2]" 1
1541 1 44 LEU HA 1 44 LEU QD 3.240 . 3.240 2.238 1.885 2.945 . 0 0 "[ . 1 . 2]" 1
1542 1 44 LEU QD 1 45 ALA H 3.890 . 3.890 3.840 3.745 3.917 0.027 20 0 "[ . 1 . 2]" 1
1543 1 44 LEU QD 1 93 TYR QD 4.280 . 4.280 3.093 2.862 3.231 . 0 0 "[ . 1 . 2]" 1
1544 1 44 LEU QD 1 93 TYR QE 4.220 . 4.220 4.185 4.006 4.233 0.013 15 0 "[ . 1 . 2]" 1
1545 1 45 ALA H 1 46 CYS QB 4.690 . 4.690 4.445 4.352 4.538 . 0 0 "[ . 1 . 2]" 1
1546 1 45 ALA MB 1 46 CYS QB 5.340 . 5.340 3.682 3.628 3.837 . 0 0 "[ . 1 . 2]" 1
1547 1 46 CYS H 1 46 CYS QB 3.130 . 3.130 2.221 2.148 2.270 . 0 0 "[ . 1 . 2]" 1
1548 1 46 CYS QB 1 73 LEU MD2 4.040 . 4.040 3.623 3.383 3.894 . 0 0 "[ . 1 . 2]" 1
1549 1 47 PHE H 1 47 PHE QB 3.650 . 3.650 2.060 2.047 2.076 . 0 0 "[ . 1 . 2]" 1
1550 1 47 PHE QB 1 48 PHE H 4.200 . 4.200 2.635 2.575 2.695 . 0 0 "[ . 1 . 2]" 1
1551 1 47 PHE QB 1 73 LEU HG 5.290 . 5.290 4.146 3.873 4.453 . 0 0 "[ . 1 . 2]" 1
1552 1 47 PHE QD 1 69 LEU QD 3.690 . 3.690 2.860 2.497 3.673 . 0 0 "[ . 1 . 2]" 1
1553 1 48 PHE H 1 94 LEU QD 4.490 . 4.490 3.518 3.345 3.741 . 0 0 "[ . 1 . 2]" 1
1554 1 48 PHE HA 1 94 LEU QD 4.280 . 4.280 2.528 2.054 3.010 . 0 0 "[ . 1 . 2]" 1
1555 1 48 PHE QD 1 94 LEU QD 3.940 . 3.940 2.125 1.863 2.970 . 0 0 "[ . 1 . 2]" 1
1556 1 49 ARG H 1 94 LEU QD 5.440 . 5.440 5.032 4.679 5.329 . 0 0 "[ . 1 . 2]" 1
1557 1 50 LEU H 1 50 LEU QB 3.400 . 3.400 2.059 2.030 2.223 . 0 0 "[ . 1 . 2]" 1
1558 1 50 LEU H 1 50 LEU QD 4.010 . 4.010 3.154 2.539 3.718 . 0 0 "[ . 1 . 2]" 1
1559 1 50 LEU HA 1 50 LEU QD 3.330 . 3.330 2.477 1.860 2.961 . 0 0 "[ . 1 . 2]" 1
1560 1 50 LEU QB 1 51 ILE H 4.180 . 4.180 2.506 2.362 2.644 . 0 0 "[ . 1 . 2]" 1
1561 1 50 LEU QB 1 51 ILE HA 5.140 . 5.140 3.754 3.687 4.035 . 0 0 "[ . 1 . 2]" 1
1562 1 50 LEU QD 1 51 ILE H 5.060 . 5.060 3.812 3.373 4.055 . 0 0 "[ . 1 . 2]" 1
1563 1 50 LEU QD 1 72 MET QG 4.830 . 4.830 3.536 3.263 4.168 . 0 0 "[ . 1 . 2]" 1
1564 1 51 ILE H 1 51 ILE QG 4.010 . 4.010 2.066 1.942 2.261 . 0 0 "[ . 1 . 2]" 1
1565 1 51 ILE H 1 69 LEU QD 5.260 . 5.260 3.265 3.017 3.575 . 0 0 "[ . 1 . 2]" 1
1566 1 51 ILE HA 1 69 LEU QD 4.190 . 4.190 2.478 2.330 2.679 . 0 0 "[ . 1 . 2]" 1
1567 1 51 ILE HB 1 69 LEU QD 4.680 . 4.680 4.054 3.922 4.173 . 0 0 "[ . 1 . 2]" 1
1568 1 51 ILE MG 1 57 MET QB 4.490 . 4.490 2.542 2.099 3.237 . 0 0 "[ . 1 . 2]" 1
1569 1 51 ILE QG 1 60 VAL MG1 5.230 . 5.230 2.775 2.558 3.113 . 0 0 "[ . 1 . 2]" 1
1570 1 51 ILE QG 1 60 VAL MG2 4.560 . 4.560 2.715 2.185 2.999 . 0 0 "[ . 1 . 2]" 1
1571 1 51 ILE QG 1 69 LEU HB3 5.340 . 5.340 4.937 4.711 5.224 . 0 0 "[ . 1 . 2]" 1
1572 1 51 ILE QG 1 69 LEU QD 3.020 . 3.020 1.830 1.789 1.962 0.011 18 0 "[ . 1 . 2]" 1
1573 1 51 ILE MD 1 57 MET QG 4.700 . 4.700 3.253 2.389 4.180 . 0 0 "[ . 1 . 2]" 1
1574 1 51 ILE MD 1 69 LEU QD 3.250 . 3.250 2.909 2.709 3.057 . 0 0 "[ . 1 . 2]" 1
1575 1 52 ASN HA 1 56 GLY QA 4.100 . 4.100 2.481 2.148 2.775 . 0 0 "[ . 1 . 2]" 1
1576 1 53 GLU H 1 53 GLU QG 4.650 . 4.650 3.721 2.096 4.034 . 0 0 "[ . 1 . 2]" 1
1577 1 53 GLU QG 1 54 MET H 4.180 . 4.180 3.829 2.735 4.110 . 0 0 "[ . 1 . 2]" 1
1578 1 53 GLU QG 1 54 MET HA 3.880 . 3.880 3.810 3.499 3.904 0.024 13 0 "[ . 1 . 2]" 1
1579 1 53 GLU QG 1 54 MET QG 4.640 . 4.640 4.124 3.597 4.640 0.000 19 0 "[ . 1 . 2]" 1
1580 1 54 MET ME 1 69 LEU QD 3.480 . 3.480 2.603 1.951 3.160 . 0 0 "[ . 1 . 2]" 1
1581 1 56 GLY QA 1 58 GLN H 4.700 . 4.700 3.281 3.115 3.470 . 0 0 "[ . 1 . 2]" 1
1582 1 57 MET H 1 57 MET QB 3.670 . 3.670 2.195 2.115 2.254 . 0 0 "[ . 1 . 2]" 1
1583 1 57 MET H 1 57 MET QG 4.590 . 4.590 3.752 2.936 4.037 . 0 0 "[ . 1 . 2]" 1
1584 1 57 MET QB 1 57 MET ME 3.860 . 3.860 3.139 1.860 3.534 . 0 0 "[ . 1 . 2]" 1
1585 1 57 MET QB 1 58 GLN H 4.000 . 4.000 2.765 2.541 2.949 . 0 0 "[ . 1 . 2]" 1
1586 1 57 MET QG 1 90 TYR QE 4.650 . 4.650 3.089 2.459 4.120 . 0 0 "[ . 1 . 2]" 1
1587 1 57 MET QG 1 95 LEU MD1 5.010 . 5.010 3.849 3.219 4.621 . 0 0 "[ . 1 . 2]" 1
1588 1 58 GLN H 1 58 GLN QG 4.130 . 4.130 2.150 1.905 3.919 . 0 0 "[ . 1 . 2]" 1
1589 1 58 GLN QG 1 59 GLN H 4.110 . 4.110 1.984 1.892 2.999 . 0 0 "[ . 1 . 2]" 1
1590 1 58 GLN QG 1 59 GLN QB 3.900 . 3.900 3.247 2.980 3.922 0.022 20 0 "[ . 1 . 2]" 1
1591 1 58 GLN QG 1 59 GLN HE21 3.850 . 3.850 2.318 1.973 2.900 . 0 0 "[ . 1 . 2]" 1
1592 1 58 GLN QG 1 59 GLN HE22 4.560 . 4.560 2.688 2.129 3.539 . 0 0 "[ . 1 . 2]" 1
1593 1 58 GLN QE 1 59 GLN HE21 2.940 . 2.940 2.737 2.361 2.950 0.010 4 0 "[ . 1 . 2]" 1
1594 1 58 GLN QE 1 59 GLN HE22 3.150 . 3.150 2.272 1.916 3.062 . 0 0 "[ . 1 . 2]" 1
1595 1 59 GLN H 1 59 GLN QG 4.150 . 4.150 3.453 1.990 3.934 . 0 0 "[ . 1 . 2]" 1
1596 1 59 GLN HE21 1 63 LEU QD 4.420 . 4.420 2.934 2.661 3.535 . 0 0 "[ . 1 . 2]" 1
1597 1 59 GLN HE22 1 63 LEU QD 4.490 . 4.490 3.609 2.276 4.445 . 0 0 "[ . 1 . 2]" 1
1598 1 60 VAL MG1 1 66 TRP QB 5.340 . 5.340 3.764 3.602 3.844 . 0 0 "[ . 1 . 2]" 1
1599 1 60 VAL MG1 1 69 LEU QD 3.500 . 3.500 1.796 1.774 2.019 0.026 8 0 "[ . 1 . 2]" 1
1600 1 62 ASP HA 1 63 LEU QD 4.550 . 4.550 4.342 4.134 4.525 . 0 0 "[ . 1 . 2]" 1
1601 1 63 LEU H 1 63 LEU QD 4.000 . 4.000 2.336 1.982 2.941 . 0 0 "[ . 1 . 2]" 1
1602 1 63 LEU HA 1 63 LEU QD 3.390 . 3.390 2.423 1.923 2.754 . 0 0 "[ . 1 . 2]" 1
1603 1 66 TRP HA 1 69 LEU QD 3.650 . 3.650 1.748 1.739 1.771 0.061 7 0 "[ . 1 . 2]" 1
1604 1 66 TRP QB 1 67 ASN H 4.280 . 4.280 2.910 2.850 3.008 . 0 0 "[ . 1 . 2]" 1
1605 1 66 TRP HE1 1 69 LEU QD 4.120 . 4.120 4.244 4.222 4.264 0.144 15 0 "[ . 1 . 2]" 1
1606 1 67 ASN H 1 67 ASN QB 3.100 . 3.100 2.421 2.115 2.644 . 0 0 "[ . 1 . 2]" 1
1607 1 67 ASN QB 1 68 LYS H 3.630 . 3.630 2.612 2.479 3.318 . 0 0 "[ . 1 . 2]" 1
1608 1 67 ASN QB 1 70 ALA MB 5.340 . 5.340 4.586 4.433 4.826 . 0 0 "[ . 1 . 2]" 1
1609 1 67 ASN QB 1 83 LEU MD1 5.340 . 5.340 3.293 2.314 3.977 . 0 0 "[ . 1 . 2]" 1
1610 1 67 ASN QD 1 83 LEU MD1 4.150 . 4.150 2.474 2.169 3.407 . 0 0 "[ . 1 . 2]" 1
1611 1 68 LYS HA 1 71 ASP QB 4.080 . 4.080 2.220 2.011 2.463 . 0 0 "[ . 1 . 2]" 1
1612 1 69 LEU H 1 69 LEU QD 4.070 . 4.070 2.691 2.578 3.311 . 0 0 "[ . 1 . 2]" 1
1613 1 69 LEU HA 1 69 LEU QD 4.150 . 4.150 3.338 3.276 3.349 . 0 0 "[ . 1 . 2]" 1
1614 1 69 LEU HA 1 72 MET QB 4.410 . 4.410 3.419 3.270 3.634 . 0 0 "[ . 1 . 2]" 1
1615 1 69 LEU QD 1 70 ALA H 3.950 . 3.950 1.802 1.784 1.954 0.016 19 0 "[ . 1 . 2]" 1
1616 1 69 LEU QD 1 70 ALA HA 4.190 . 4.190 2.837 2.757 2.930 . 0 0 "[ . 1 . 2]" 1
1617 1 69 LEU QD 1 70 ALA MB 4.080 . 4.080 2.219 2.146 2.352 . 0 0 "[ . 1 . 2]" 1
1618 1 69 LEU QD 1 73 LEU QB 4.890 . 4.890 4.306 4.182 4.446 . 0 0 "[ . 1 . 2]" 1
1619 1 69 LEU QD 1 86 LEU MD1 4.070 . 4.070 3.018 2.563 3.075 . 0 0 "[ . 1 . 2]" 1
1620 1 70 ALA MB 1 86 LEU QB 4.330 . 4.330 3.976 3.863 4.102 . 0 0 "[ . 1 . 2]" 1
1621 1 71 ASP QB 1 72 MET H 3.700 . 3.700 2.466 2.380 2.578 . 0 0 "[ . 1 . 2]" 1
1622 1 71 ASP QB 1 73 LEU H 5.340 . 5.340 4.331 4.272 4.378 . 0 0 "[ . 1 . 2]" 1
1623 1 72 MET H 1 72 MET QB 3.560 . 3.560 2.144 2.051 2.394 . 0 0 "[ . 1 . 2]" 1
1624 1 72 MET HA 1 72 MET QG 3.570 . 3.570 2.187 2.017 2.360 . 0 0 "[ . 1 . 2]" 1
1625 1 72 MET QB 1 73 LEU MD2 3.630 . 3.630 2.804 2.666 2.899 . 0 0 "[ . 1 . 2]" 1
1626 1 72 MET ME 1 72 MET QG 3.460 . 3.460 2.428 2.299 2.528 . 0 0 "[ . 1 . 2]" 1
1627 1 72 MET QG 1 73 LEU H 4.650 . 4.650 4.501 4.246 4.616 . 0 0 "[ . 1 . 2]" 1
1628 1 74 ARG QB 1 74 ARG QD 3.100 . 3.100 2.258 1.914 2.671 . 0 0 "[ . 1 . 2]" 1
1629 1 76 PRO HA 1 77 LYS QG 4.680 . 4.680 3.938 3.659 4.696 0.016 3 0 "[ . 1 . 2]" 1
1630 1 76 PRO QG 1 79 ALA H 4.480 . 4.480 3.547 3.498 3.627 . 0 0 "[ . 1 . 2]" 1
1631 1 76 PRO QG 1 79 ALA MB 4.830 . 4.830 2.532 2.243 2.779 . 0 0 "[ . 1 . 2]" 1
1632 1 77 LYS H 1 77 LYS QG 3.700 . 3.700 2.259 1.971 3.121 . 0 0 "[ . 1 . 2]" 1
1633 1 77 LYS HA 1 77 LYS QG 3.640 . 3.640 3.148 2.370 3.438 . 0 0 "[ . 1 . 2]" 1
1634 1 77 LYS QB 1 77 LYS QE 4.550 . 4.550 3.177 2.123 3.704 . 0 0 "[ . 1 . 2]" 1
1635 1 77 LYS QB 1 78 THR H 4.060 . 4.060 3.444 2.914 3.753 . 0 0 "[ . 1 . 2]" 1
1636 1 77 LYS QB 1 79 ALA H 5.340 . 5.340 4.753 4.541 4.872 . 0 0 "[ . 1 . 2]" 1
1637 1 79 ALA MB 1 81 ASP QB 5.340 . 5.340 4.491 3.744 5.284 . 0 0 "[ . 1 . 2]" 1
1638 1 80 GLN HA 1 80 GLN QE 4.130 . 4.130 3.537 2.596 4.135 0.005 15 0 "[ . 1 . 2]" 1
1639 1 80 GLN QE 1 80 GLN QG 2.930 . 2.930 2.160 2.066 2.503 . 0 0 "[ . 1 . 2]" 1
1640 1 81 ASP QB 1 84 ALA H 5.180 . 5.180 4.536 4.106 4.800 . 0 0 "[ . 1 . 2]" 1
1641 1 81 ASP QB 1 84 ALA MB 4.100 . 4.100 3.723 3.079 4.110 0.010 9 0 "[ . 1 . 2]" 1
1642 1 83 LEU H 1 83 LEU QB 3.420 . 3.420 2.274 2.184 2.554 . 0 0 "[ . 1 . 2]" 1
1643 1 83 LEU QB 1 83 LEU MD2 3.120 . 3.120 2.204 2.042 2.350 . 0 0 "[ . 1 . 2]" 1
1644 1 83 LEU QB 1 84 ALA H 3.410 . 3.410 2.489 2.280 2.661 . 0 0 "[ . 1 . 2]" 1
1645 1 83 LEU QB 1 84 ALA MB 4.030 . 4.030 3.684 3.538 3.792 . 0 0 "[ . 1 . 2]" 1
1646 1 86 LEU QB 1 87 GLN H 3.730 . 3.730 2.803 2.644 3.242 . 0 0 "[ . 1 . 2]" 1
1647 1 86 LEU QB 1 87 GLN HA 5.340 . 5.340 4.537 4.444 4.731 . 0 0 "[ . 1 . 2]" 1
1648 1 86 LEU QB 1 89 ALA H 5.340 . 5.340 4.793 4.596 4.847 . 0 0 "[ . 1 . 2]" 1
1649 1 87 GLN H 1 87 GLN QB 3.600 . 3.600 2.190 2.044 2.339 . 0 0 "[ . 1 . 2]" 1
1650 1 87 GLN QB 1 87 GLN QG 2.340 . 2.340 2.053 2.017 2.086 . 0 0 "[ . 1 . 2]" 1
1651 1 87 GLN QB 1 88 GLU H 3.360 . 3.360 2.519 2.390 2.645 . 0 0 "[ . 1 . 2]" 1
1652 1 87 GLN QB 1 88 GLU QG 3.670 . 3.670 3.034 2.753 3.334 . 0 0 "[ . 1 . 2]" 1
1653 1 87 GLN QB 1 90 TYR QD 5.060 . 5.060 4.049 3.931 4.159 . 0 0 "[ . 1 . 2]" 1
1654 1 87 GLN QB 1 90 TYR QE 4.510 . 4.510 3.296 2.964 3.590 . 0 0 "[ . 1 . 2]" 1
1655 1 87 GLN QG 1 90 TYR QD 4.940 . 4.940 3.753 3.640 4.002 . 0 0 "[ . 1 . 2]" 1
1656 1 87 GLN QG 1 90 TYR QE 4.300 . 4.300 2.437 1.955 3.007 . 0 0 "[ . 1 . 2]" 1
1657 1 88 GLU HA 1 88 GLU QG 3.100 . 3.100 2.469 2.253 2.873 . 0 0 "[ . 1 . 2]" 1
1658 1 88 GLU HA 1 91 CYS QB 3.760 . 3.760 2.288 2.084 2.594 . 0 0 "[ . 1 . 2]" 1
1659 1 88 GLU QG 1 89 ALA H 4.240 . 4.240 4.099 3.954 4.244 0.004 14 0 "[ . 1 . 2]" 1
1660 1 89 ALA H 1 92 GLN QB 5.340 . 5.340 5.124 4.991 5.241 . 0 0 "[ . 1 . 2]" 1
1661 1 89 ALA HA 1 92 GLN QB 4.230 . 4.230 3.526 3.376 3.691 . 0 0 "[ . 1 . 2]" 1
1662 1 89 ALA MB 1 92 GLN QB 5.100 . 5.100 4.750 4.649 4.858 . 0 0 "[ . 1 . 2]" 1
1663 1 90 TYR H 1 90 TYR QB 3.450 . 3.450 2.347 2.330 2.359 . 0 0 "[ . 1 . 2]" 1
1664 1 90 TYR HA 1 94 LEU QB 4.470 . 4.470 3.123 2.794 3.589 . 0 0 "[ . 1 . 2]" 1
1665 1 90 TYR HA 1 94 LEU QD 4.590 . 4.590 3.407 2.535 4.075 . 0 0 "[ . 1 . 2]" 1
1666 1 90 TYR QD 1 94 LEU QB 4.590 . 4.590 2.601 2.249 3.104 . 0 0 "[ . 1 . 2]" 1
1667 1 90 TYR QD 1 94 LEU QD 4.500 . 4.500 3.343 2.712 3.968 . 0 0 "[ . 1 . 2]" 1
1668 1 91 CYS QB 1 92 GLN H 3.500 . 3.500 2.828 2.787 2.889 . 0 0 "[ . 1 . 2]" 1
1669 1 92 GLN H 1 92 GLN QB 2.870 . 2.870 2.339 2.156 2.384 . 0 0 "[ . 1 . 2]" 1
1670 1 92 GLN QB 1 92 GLN HE22 4.500 . 4.500 3.631 3.157 4.054 . 0 0 "[ . 1 . 2]" 1
1671 1 92 GLN QB 1 93 TYR H 3.620 . 3.620 3.354 3.251 3.401 . 0 0 "[ . 1 . 2]" 1
1672 1 92 GLN QB 1 93 TYR QD 4.920 . 4.920 2.201 2.114 2.318 . 0 0 "[ . 1 . 2]" 1
1673 1 92 GLN QB 1 93 TYR QE 4.540 . 4.540 2.925 2.709 3.228 . 0 0 "[ . 1 . 2]" 1
1674 1 92 GLN HE21 1 92 GLN QG 3.060 . 3.060 2.250 2.090 2.628 . 0 0 "[ . 1 . 2]" 1
1675 1 92 GLN HE22 1 92 GLN QG 3.420 . 3.420 3.295 3.218 3.430 0.010 12 0 "[ . 1 . 2]" 1
1676 1 92 GLN QG 1 93 TYR H 4.670 . 4.670 4.506 4.350 4.672 0.002 15 0 "[ . 1 . 2]" 1
1677 1 92 GLN QG 1 93 TYR QE 4.700 . 4.700 4.355 3.885 4.712 0.012 15 0 "[ . 1 . 2]" 1
1678 1 93 TYR H 1 93 TYR QB 3.670 . 3.670 2.446 2.409 2.500 . 0 0 "[ . 1 . 2]" 1
1679 1 93 TYR QB 1 94 LEU H 4.430 . 4.430 2.010 1.985 2.045 . 0 0 "[ . 1 . 2]" 1
1680 1 94 LEU H 1 94 LEU QB 3.510 . 3.510 2.224 2.024 2.621 . 0 0 "[ . 1 . 2]" 1
1681 1 94 LEU H 1 94 LEU QD 4.180 . 4.180 2.830 1.952 3.258 . 0 0 "[ . 1 . 2]" 1
1682 1 94 LEU QD 1 97 TYR QD 4.590 . 4.590 3.842 3.060 4.453 . 0 0 "[ . 1 . 2]" 1
1683 1 97 TYR H 1 97 TYR QB 3.620 . 3.620 2.239 2.180 2.257 . 0 0 "[ . 1 . 2]" 1
1684 1 100 LEU H 1 100 LEU QB 3.480 . 3.480 2.428 2.219 2.917 . 0 0 "[ . 1 . 2]" 1
1685 1 100 LEU QB 1 101 SER H 4.430 . 4.430 2.465 1.854 2.924 . 0 0 "[ . 1 . 2]" 1
1686 1 100 LEU QB 1 101 SER HA 5.340 . 5.340 4.525 4.313 4.834 . 0 0 "[ . 1 . 2]" 1
1687 1 100 LEU QB 1 105 HIS HD2 5.340 . 5.340 3.823 1.845 5.233 . 0 0 "[ . 1 . 2]" 1
1688 1 100 LEU MD2 1 101 SER QB 4.410 . 4.410 4.347 4.151 4.436 0.026 3 0 "[ . 1 . 2]" 1
1689 1 101 SER H 1 101 SER QB 3.700 . 3.700 2.171 2.062 2.906 . 0 0 "[ . 1 . 2]" 1
1690 1 101 SER QB 1 102 PRO QD 4.120 . 4.120 2.086 1.902 2.297 . 0 0 "[ . 1 . 2]" 1
1691 1 101 SER QB 1 103 GLU H 3.230 . 3.230 2.278 2.141 2.404 . 0 0 "[ . 1 . 2]" 1
1692 1 101 SER QB 1 104 GLU H 3.980 . 3.980 3.405 3.179 3.690 . 0 0 "[ . 1 . 2]" 1
1693 1 102 PRO QB 1 103 GLU H 3.870 . 3.870 3.323 3.175 3.628 . 0 0 "[ . 1 . 2]" 1
1694 1 103 GLU H 1 105 HIS QB 5.340 . 5.340 4.614 4.221 4.838 . 0 0 "[ . 1 . 2]" 1
1695 1 103 GLU QG 1 104 GLU H 4.500 . 4.500 3.431 1.852 4.336 . 0 0 "[ . 1 . 2]" 1
1696 1 105 HIS HA 1 108 LEU QB 4.780 . 4.780 3.138 2.936 3.369 . 0 0 "[ . 1 . 2]" 1
1697 1 105 HIS QB 1 106 ARG H 4.040 . 4.040 2.405 2.252 2.465 . 0 0 "[ . 1 . 2]" 1
1698 1 108 LEU MD2 1 111 GLU QG 5.340 . 5.340 4.535 4.059 5.041 . 0 0 "[ . 1 . 2]" 1
1699 1 109 GLU HA 1 113 LEU QD 4.760 . 4.760 3.100 2.652 3.755 . 0 0 "[ . 1 . 2]" 1
1700 1 109 GLU HG3 1 113 LEU QD 4.210 . 4.210 1.945 1.794 2.251 0.006 13 0 "[ . 1 . 2]" 1
1701 1 110 LYS H 1 110 LYS QG 3.300 . 3.300 2.471 2.193 2.638 . 0 0 "[ . 1 . 2]" 1
1702 1 110 LYS H 1 113 LEU QD 5.000 . 5.000 4.335 4.010 4.960 . 0 0 "[ . 1 . 2]" 1
1703 1 110 LYS HA 1 110 LYS QG 3.510 . 3.510 2.367 2.181 2.599 . 0 0 "[ . 1 . 2]" 1
1704 1 110 LYS QE 1 110 LYS QG 3.370 . 3.370 2.071 1.928 2.654 . 0 0 "[ . 1 . 2]" 1
1705 1 111 GLU H 1 111 GLU QG 3.260 . 3.260 3.036 2.838 3.125 . 0 0 "[ . 1 . 2]" 1
1706 1 111 GLU H 1 113 LEU QD 5.440 . 5.440 5.034 4.622 5.444 0.004 15 0 "[ . 1 . 2]" 1
1707 1 111 GLU HA 1 111 GLU QG 3.650 . 3.650 2.270 2.070 2.690 . 0 0 "[ . 1 . 2]" 1
1708 1 111 GLU QG 1 112 VAL H 4.500 . 4.500 4.226 4.122 4.256 . 0 0 "[ . 1 . 2]" 1
1709 1 112 VAL HA 1 113 LEU QD 4.960 . 4.960 4.802 4.578 4.980 0.020 7 0 "[ . 1 . 2]" 1
1710 1 112 VAL HB 1 113 LEU QD 4.030 . 4.030 2.914 2.616 3.238 . 0 0 "[ . 1 . 2]" 1
1711 1 112 VAL MG1 1 113 LEU QD 3.380 . 3.380 3.201 2.915 3.386 0.006 19 0 "[ . 1 . 2]" 1
1712 1 112 VAL MG1 1 116 LYS QB 4.890 . 4.890 3.649 3.330 3.837 . 0 0 "[ . 1 . 2]" 1
1713 1 113 LEU H 1 113 LEU QD 3.360 . 3.360 2.319 1.988 2.629 . 0 0 "[ . 1 . 2]" 1
1714 1 113 LEU HA 1 113 LEU QD 3.420 . 3.420 2.140 1.920 2.411 . 0 0 "[ . 1 . 2]" 1
1715 1 113 LEU HA 1 116 LYS QD 4.580 . 4.580 2.850 2.207 4.110 . 0 0 "[ . 1 . 2]" 1
1716 1 113 LEU QD 1 114 MET H 4.590 . 4.590 4.015 3.932 4.101 . 0 0 "[ . 1 . 2]" 1
1717 1 113 LEU QD 1 116 LYS QE 4.420 . 4.420 2.977 1.794 4.087 0.006 10 0 "[ . 1 . 2]" 1
1718 1 114 MET QB 1 118 ILE QG 4.350 . 4.350 3.749 3.677 3.853 . 0 0 "[ . 1 . 2]" 1
1719 1 116 LYS H 1 116 LYS QB 3.320 . 3.320 2.703 2.658 2.777 . 0 0 "[ . 1 . 2]" 1
1720 1 116 LYS H 1 116 LYS QD 5.340 . 5.340 3.877 3.626 4.055 . 0 0 "[ . 1 . 2]" 1
1721 1 116 LYS HA 1 119 LEU QB 3.290 . 3.290 2.162 1.955 2.292 . 0 0 "[ . 1 . 2]" 1
1722 1 116 LYS HA 1 119 LEU QD 2.910 . 2.910 2.298 2.035 2.658 . 0 0 "[ . 1 . 2]" 1
1723 1 116 LYS QB 1 116 LYS QD 3.290 . 3.290 2.094 1.973 2.318 . 0 0 "[ . 1 . 2]" 1
1724 1 116 LYS QB 1 116 LYS QE 3.850 . 3.850 3.225 2.049 3.705 . 0 0 "[ . 1 . 2]" 1
1725 1 116 LYS QB 1 117 GLU HG2 4.990 . 4.990 4.430 3.966 4.966 . 0 0 "[ . 1 . 2]" 1
1726 1 116 LYS QD 1 117 GLU H 4.940 . 4.940 3.795 2.392 4.264 . 0 0 "[ . 1 . 2]" 1
1727 1 116 LYS QD 1 117 GLU HA 5.340 . 5.340 4.530 2.499 5.249 . 0 0 "[ . 1 . 2]" 1
1728 1 116 LYS QD 1 117 GLU HG2 5.340 . 5.340 3.704 2.097 4.665 . 0 0 "[ . 1 . 2]" 1
1729 1 117 GLU H 1 119 LEU QD 5.440 . 5.440 5.057 4.893 5.182 . 0 0 "[ . 1 . 2]" 1
1730 1 117 GLU QB 1 118 ILE QG 3.920 . 3.920 3.106 3.007 3.181 . 0 0 "[ . 1 . 2]" 1
1731 1 118 ILE H 1 118 ILE QG 3.080 . 3.080 2.842 2.758 2.939 . 0 0 "[ . 1 . 2]" 1
1732 1 118 ILE HA 1 118 ILE QG 3.390 . 3.390 2.390 2.353 2.428 . 0 0 "[ . 1 . 2]" 1
1733 1 118 ILE QG 1 119 LEU H 4.700 . 4.700 4.570 4.526 4.618 . 0 0 "[ . 1 . 2]" 1
1734 1 119 LEU H 1 119 LEU QB 2.640 . 2.640 2.156 2.091 2.221 . 0 0 "[ . 1 . 2]" 1
1735 1 119 LEU H 1 120 GLU QG 4.680 . 4.680 4.352 3.799 4.682 0.002 13 0 "[ . 1 . 2]" 1
1736 1 119 LEU QB 1 119 LEU QD 2.830 . 2.830 1.859 1.804 1.902 . 0 0 "[ . 1 . 2]" 1
1737 1 119 LEU QB 1 120 GLU H 4.180 . 4.180 2.559 2.199 2.758 . 0 0 "[ . 1 . 2]" 1
1738 1 119 LEU QD 1 120 GLU H 3.510 . 3.510 3.446 3.146 3.520 0.010 8 0 "[ . 1 . 2]" 1
1739 1 119 LEU QD 1 120 GLU QG 3.680 . 3.680 3.220 2.322 3.682 0.002 3 0 "[ . 1 . 2]" 1
1740 1 120 GLU H 1 120 GLU QG 2.930 . 2.930 2.352 1.997 2.603 . 0 0 "[ . 1 . 2]" 1
1741 1 120 GLU HA 1 120 GLU QG 2.940 . 2.940 2.391 2.285 2.524 . 0 0 "[ . 1 . 2]" 1
1742 1 120 GLU QG 1 121 LYS H 4.140 . 4.140 3.853 3.650 4.098 . 0 0 "[ . 1 . 2]" 1
1743 1 121 LYS H 1 121 LYS QB 2.770 . 2.770 2.584 2.357 2.693 . 0 0 "[ . 1 . 2]" 1
1744 1 121 LYS QB 1 121 LYS QE 3.440 . 3.440 2.498 1.937 3.353 . 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 92
_Distance_constraint_stats_list.Viol_count 544
_Distance_constraint_stats_list.Viol_total 179.620
_Distance_constraint_stats_list.Viol_max 0.077
_Distance_constraint_stats_list.Viol_rms 0.0110
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0165
_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 12 PRO 0.054 0.020 6 0 "[ . 1 . 2]"
1 13 ASN 0.582 0.048 7 0 "[ . 1 . 2]"
1 14 VAL 0.012 0.008 6 0 "[ . 1 . 2]"
1 15 GLN 0.037 0.011 5 0 "[ . 1 . 2]"
1 16 ARG 0.081 0.020 6 0 "[ . 1 . 2]"
1 17 LEU 0.660 0.048 7 0 "[ . 1 . 2]"
1 18 ALA 0.029 0.012 15 0 "[ . 1 . 2]"
1 19 CYS 0.069 0.011 5 0 "[ . 1 . 2]"
1 20 ILE 0.027 0.006 18 0 "[ . 1 . 2]"
1 21 LYS 0.107 0.012 5 0 "[ . 1 . 2]"
1 22 LYS 0.393 0.030 14 0 "[ . 1 . 2]"
1 23 HIS 0.260 0.025 5 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ARG 0.029 0.009 5 0 "[ . 1 . 2]"
1 26 SER 0.376 0.030 14 0 "[ . 1 . 2]"
1 27 GLN 0.228 0.025 5 0 "[ . 1 . 2]"
1 44 LEU 0.033 0.015 16 0 "[ . 1 . 2]"
1 45 ALA 0.111 0.023 16 0 "[ . 1 . 2]"
1 46 CYS 0.071 0.010 2 0 "[ . 1 . 2]"
1 47 PHE 0.021 0.009 16 0 "[ . 1 . 2]"
1 48 PHE 0.116 0.015 16 0 "[ . 1 . 2]"
1 49 ARG 0.137 0.023 16 0 "[ . 1 . 2]"
1 50 LEU 0.071 0.010 2 0 "[ . 1 . 2]"
1 51 ILE 0.021 0.009 16 0 "[ . 1 . 2]"
1 52 ASN 0.084 0.015 8 0 "[ . 1 . 2]"
1 53 GLU 0.026 0.011 11 0 "[ . 1 . 2]"
1 57 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 0.328 0.030 19 0 "[ . 1 . 2]"
1 59 GLN 0.007 0.004 2 0 "[ . 1 . 2]"
1 61 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.328 0.030 19 0 "[ . 1 . 2]"
1 63 LEU 0.007 0.004 2 0 "[ . 1 . 2]"
1 66 TRP 0.151 0.053 16 0 "[ . 1 . 2]"
1 67 ASN 0.280 0.032 16 0 "[ . 1 . 2]"
1 68 LYS 1.108 0.077 11 0 "[ . 1 . 2]"
1 70 ALA 0.151 0.053 16 0 "[ . 1 . 2]"
1 71 ASP 0.280 0.032 16 0 "[ . 1 . 2]"
1 72 MET 1.108 0.077 11 0 "[ . 1 . 2]"
1 82 ARG 0.044 0.018 16 0 "[ . 1 . 2]"
1 83 LEU 0.170 0.023 8 0 "[ . 1 . 2]"
1 84 ALA 0.062 0.015 1 0 "[ . 1 . 2]"
1 85 LYS 0.116 0.022 8 0 "[ . 1 . 2]"
1 86 LEU 0.044 0.018 16 0 "[ . 1 . 2]"
1 87 GLN 0.200 0.023 8 0 "[ . 1 . 2]"
1 88 GLU 0.454 0.034 17 0 "[ . 1 . 2]"
1 89 ALA 0.116 0.022 8 0 "[ . 1 . 2]"
1 90 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 CYS 0.030 0.023 16 0 "[ . 1 . 2]"
1 92 GLN 0.393 0.034 17 0 "[ . 1 . 2]"
1 94 LEU 0.126 0.035 8 0 "[ . 1 . 2]"
1 95 LEU 0.572 0.050 7 0 "[ . 1 . 2]"
1 98 ASP 0.126 0.035 8 0 "[ . 1 . 2]"
1 99 SER 0.572 0.050 7 0 "[ . 1 . 2]"
1 102 PRO 0.028 0.009 6 0 "[ . 1 . 2]"
1 103 GLU 0.018 0.005 13 0 "[ . 1 . 2]"
1 104 GLU 0.164 0.019 18 0 "[ . 1 . 2]"
1 105 HIS 0.109 0.013 3 0 "[ . 1 . 2]"
1 106 ARG 0.196 0.016 17 0 "[ . 1 . 2]"
1 107 ARG 0.539 0.043 2 0 "[ . 1 . 2]"
1 108 LEU 0.257 0.019 18 0 "[ . 1 . 2]"
1 109 GLU 1.588 0.068 18 0 "[ . 1 . 2]"
1 110 LYS 0.824 0.043 14 0 "[ . 1 . 2]"
1 111 GLU 0.521 0.043 2 0 "[ . 1 . 2]"
1 112 VAL 0.159 0.023 6 0 "[ . 1 . 2]"
1 113 LEU 1.493 0.068 18 0 "[ . 1 . 2]"
1 114 MET 1.118 0.043 14 0 "[ . 1 . 2]"
1 115 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LYS 0.066 0.023 6 0 "[ . 1 . 2]"
1 117 GLU 0.014 0.012 2 0 "[ . 1 . 2]"
1 118 ILE 0.461 0.036 5 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 12 PRO O 1 16 ARG N 3.200 2.700 3.200 3.093 2.858 3.184 . 0 0 "[ . 1 . 2]" 2
2 1 12 PRO O 1 16 ARG H 2.200 . 2.200 2.171 1.925 2.220 0.020 6 0 "[ . 1 . 2]" 2
3 1 13 ASN O 1 17 LEU N 3.200 2.700 3.200 3.181 3.136 3.207 0.007 18 0 "[ . 1 . 2]" 2
4 1 13 ASN O 1 17 LEU H 2.200 . 2.200 2.229 2.209 2.248 0.048 7 0 "[ . 1 . 2]" 2
5 1 14 VAL O 1 18 ALA N 3.200 2.700 3.200 2.803 2.692 2.953 0.008 6 0 "[ . 1 . 2]" 2
6 1 14 VAL O 1 18 ALA H 2.200 . 2.200 1.963 1.853 2.106 . 0 0 "[ . 1 . 2]" 2
7 1 15 GLN O 1 19 CYS N 3.200 2.700 3.200 2.907 2.742 3.172 . 0 0 "[ . 1 . 2]" 2
8 1 15 GLN O 1 19 CYS H 2.200 . 2.200 1.947 1.789 2.207 0.011 5 0 "[ . 1 . 2]" 2
9 1 16 ARG O 1 20 ILE N 3.200 2.700 3.200 3.079 2.854 3.182 . 0 0 "[ . 1 . 2]" 2
10 1 16 ARG O 1 20 ILE H 2.200 . 2.200 2.121 1.889 2.206 0.006 18 0 "[ . 1 . 2]" 2
11 1 17 LEU O 1 21 LYS N 3.200 2.700 3.200 3.063 2.934 3.157 . 0 0 "[ . 1 . 2]" 2
12 1 17 LEU O 1 21 LYS H 2.200 . 2.200 2.184 2.022 2.212 0.012 5 0 "[ . 1 . 2]" 2
13 1 18 ALA O 1 22 LYS N 3.200 2.700 3.200 2.927 2.765 3.089 . 0 0 "[ . 1 . 2]" 2
14 1 18 ALA O 1 22 LYS H 2.200 . 2.200 1.999 1.807 2.212 0.012 15 0 "[ . 1 . 2]" 2
15 1 19 CYS O 1 23 HIS N 3.200 2.700 3.200 3.105 2.991 3.169 . 0 0 "[ . 1 . 2]" 2
16 1 19 CYS O 1 23 HIS H 2.200 . 2.200 2.178 2.084 2.208 0.008 12 0 "[ . 1 . 2]" 2
17 1 20 ILE O 1 24 LEU N 3.200 2.700 3.200 2.846 2.748 2.998 . 0 0 "[ . 1 . 2]" 2
18 1 20 ILE O 1 24 LEU H 2.200 . 2.200 1.912 1.802 2.064 . 0 0 "[ . 1 . 2]" 2
19 1 21 LYS O 1 25 ARG N 3.200 2.700 3.200 3.112 3.011 3.174 . 0 0 "[ . 1 . 2]" 2
20 1 21 LYS O 1 25 ARG H 2.200 . 2.200 2.145 2.052 2.209 0.009 5 0 "[ . 1 . 2]" 2
21 1 22 LYS O 1 26 SER N 3.200 2.700 3.200 3.133 3.099 3.162 . 0 0 "[ . 1 . 2]" 2
22 1 22 LYS O 1 26 SER H 2.200 . 2.200 2.219 2.207 2.230 0.030 14 0 "[ . 1 . 2]" 2
23 1 23 HIS O 1 27 GLN N 3.200 2.700 3.200 2.689 2.675 2.696 0.025 5 0 "[ . 1 . 2]" 2
24 1 23 HIS O 1 27 GLN H 2.200 . 2.200 2.097 2.013 2.174 . 0 0 "[ . 1 . 2]" 2
25 1 44 LEU O 1 48 PHE N 3.200 2.700 3.200 2.798 2.721 2.948 . 0 0 "[ . 1 . 2]" 2
26 1 44 LEU O 1 48 PHE H 2.200 . 2.200 1.860 1.785 2.020 0.015 16 0 "[ . 1 . 2]" 2
27 1 45 ALA O 1 49 ARG N 3.200 2.700 3.200 3.146 3.026 3.201 0.001 16 0 "[ . 1 . 2]" 2
28 1 45 ALA O 1 49 ARG H 2.200 . 2.200 2.186 2.071 2.223 0.023 16 0 "[ . 1 . 2]" 2
29 1 46 CYS O 1 50 LEU N 3.200 2.700 3.200 3.083 2.797 3.136 . 0 0 "[ . 1 . 2]" 2
30 1 46 CYS O 1 50 LEU H 2.200 . 2.200 2.177 1.860 2.210 0.010 2 0 "[ . 1 . 2]" 2
31 1 47 PHE O 1 51 ILE N 3.200 2.700 3.200 3.060 2.971 3.155 . 0 0 "[ . 1 . 2]" 2
32 1 47 PHE O 1 51 ILE H 2.200 . 2.200 2.106 2.000 2.209 0.009 16 0 "[ . 1 . 2]" 2
33 1 48 PHE O 1 52 ASN N 3.200 2.700 3.200 3.138 3.061 3.177 . 0 0 "[ . 1 . 2]" 2
34 1 48 PHE O 1 52 ASN H 2.200 . 2.200 2.184 2.116 2.215 0.015 8 0 "[ . 1 . 2]" 2
35 1 49 ARG O 1 53 GLU N 3.200 2.700 3.200 2.837 2.741 2.912 . 0 0 "[ . 1 . 2]" 2
36 1 49 ARG O 1 53 GLU H 2.200 . 2.200 1.893 1.789 2.024 0.011 11 0 "[ . 1 . 2]" 2
37 1 57 MET O 1 61 THR N 3.200 2.700 3.200 2.983 2.856 3.037 . 0 0 "[ . 1 . 2]" 2
38 1 57 MET O 1 61 THR H 2.200 . 2.200 2.008 1.883 2.065 . 0 0 "[ . 1 . 2]" 2
39 1 58 GLN O 1 62 ASP N 3.200 2.700 3.200 2.684 2.670 2.699 0.030 19 0 "[ . 1 . 2]" 2
40 1 58 GLN O 1 62 ASP H 2.200 . 2.200 1.845 1.795 1.908 0.005 20 0 "[ . 1 . 2]" 2
41 1 59 GLN O 1 63 LEU N 3.200 2.700 3.200 2.876 2.782 3.015 . 0 0 "[ . 1 . 2]" 2
42 1 59 GLN O 1 63 LEU H 2.200 . 2.200 2.040 1.947 2.204 0.004 2 0 "[ . 1 . 2]" 2
43 1 66 TRP O 1 70 ALA N 3.200 2.700 3.200 2.711 2.647 2.765 0.053 16 0 "[ . 1 . 2]" 2
44 1 66 TRP O 1 70 ALA H 2.200 . 2.200 1.808 1.766 1.870 0.034 16 0 "[ . 1 . 2]" 2
45 1 67 ASN O 1 71 ASP N 3.200 2.700 3.200 2.966 2.873 3.042 . 0 0 "[ . 1 . 2]" 2
46 1 67 ASN O 1 71 ASP H 2.200 . 2.200 2.214 2.203 2.232 0.032 16 0 "[ . 1 . 2]" 2
47 1 68 LYS O 1 72 MET N 3.200 2.700 3.200 3.191 3.174 3.203 0.003 13 0 "[ . 1 . 2]" 2
48 1 68 LYS O 1 72 MET H 2.200 . 2.200 2.255 2.228 2.277 0.077 11 0 "[ . 1 . 2]" 2
49 1 82 ARG O 1 86 LEU N 3.200 2.700 3.200 2.936 2.719 3.098 . 0 0 "[ . 1 . 2]" 2
50 1 82 ARG O 1 86 LEU H 2.200 . 2.200 2.056 1.794 2.218 0.018 16 0 "[ . 1 . 2]" 2
51 1 83 LEU O 1 87 GLN N 3.200 2.700 3.200 3.129 3.067 3.168 . 0 0 "[ . 1 . 2]" 2
52 1 83 LEU O 1 87 GLN H 2.200 . 2.200 2.205 2.175 2.223 0.023 8 0 "[ . 1 . 2]" 2
53 1 84 ALA O 1 88 GLU N 3.200 2.700 3.200 3.130 3.076 3.185 . 0 0 "[ . 1 . 2]" 2
54 1 84 ALA O 1 88 GLU H 2.200 . 2.200 2.179 2.119 2.215 0.015 1 0 "[ . 1 . 2]" 2
55 1 85 LYS O 1 89 ALA N 3.200 2.700 3.200 2.712 2.678 2.800 0.022 8 0 "[ . 1 . 2]" 2
56 1 85 LYS O 1 89 ALA H 2.200 . 2.200 1.924 1.889 2.032 . 0 0 "[ . 1 . 2]" 2
57 1 86 LEU O 1 90 TYR N 3.200 2.700 3.200 2.844 2.752 2.936 . 0 0 "[ . 1 . 2]" 2
58 1 86 LEU O 1 90 TYR H 2.200 . 2.200 1.931 1.820 2.030 . 0 0 "[ . 1 . 2]" 2
59 1 87 GLN O 1 91 CYS N 3.200 2.700 3.200 3.023 2.908 3.130 . 0 0 "[ . 1 . 2]" 2
60 1 87 GLN O 1 91 CYS H 2.200 . 2.200 2.164 2.069 2.223 0.023 16 0 "[ . 1 . 2]" 2
61 1 88 GLU O 1 92 GLN N 3.200 2.700 3.200 3.029 3.012 3.057 . 0 0 "[ . 1 . 2]" 2
62 1 88 GLU O 1 92 GLN H 2.200 . 2.200 2.220 2.207 2.234 0.034 17 0 "[ . 1 . 2]" 2
63 1 94 LEU O 1 98 ASP N 3.200 2.700 3.200 2.862 2.687 3.181 0.013 6 0 "[ . 1 . 2]" 2
64 1 94 LEU O 1 98 ASP H 2.200 . 2.200 1.986 1.791 2.235 0.035 8 0 "[ . 1 . 2]" 2
65 1 95 LEU O 1 99 SER N 3.200 2.700 3.200 2.717 2.650 2.840 0.050 7 0 "[ . 1 . 2]" 2
66 1 95 LEU O 1 99 SER H 2.200 . 2.200 2.179 2.028 2.240 0.040 4 0 "[ . 1 . 2]" 2
67 1 102 PRO O 1 106 ARG N 3.200 2.700 3.200 2.915 2.771 3.151 . 0 0 "[ . 1 . 2]" 2
68 1 102 PRO O 1 106 ARG H 2.200 . 2.200 1.951 1.791 2.209 0.009 6 0 "[ . 1 . 2]" 2
69 1 103 GLU O 1 107 ARG N 3.200 2.700 3.200 2.807 2.715 3.036 . 0 0 "[ . 1 . 2]" 2
70 1 103 GLU O 1 107 ARG H 2.200 . 2.200 1.862 1.795 2.107 0.005 13 0 "[ . 1 . 2]" 2
71 1 104 GLU O 1 108 LEU N 3.200 2.700 3.200 3.076 2.859 3.164 . 0 0 "[ . 1 . 2]" 2
72 1 104 GLU O 1 108 LEU H 2.200 . 2.200 2.179 1.972 2.219 0.019 18 0 "[ . 1 . 2]" 2
73 1 105 HIS O 1 109 GLU N 3.200 2.700 3.200 2.743 2.687 2.909 0.013 3 0 "[ . 1 . 2]" 2
74 1 105 HIS O 1 109 GLU H 2.200 . 2.200 1.855 1.787 2.044 0.013 9 0 "[ . 1 . 2]" 2
75 1 106 ARG O 1 110 LYS N 3.200 2.700 3.200 2.742 2.689 3.103 0.011 1 0 "[ . 1 . 2]" 2
76 1 106 ARG O 1 110 LYS H 2.200 . 2.200 1.833 1.784 2.205 0.016 17 0 "[ . 1 . 2]" 2
77 1 107 ARG O 1 111 GLU N 3.200 2.700 3.200 3.074 3.027 3.131 . 0 0 "[ . 1 . 2]" 2
78 1 107 ARG O 1 111 GLU H 2.200 . 2.200 2.226 2.202 2.243 0.043 2 0 "[ . 1 . 2]" 2
79 1 108 LEU O 1 112 VAL N 3.200 2.700 3.200 3.160 3.061 3.194 . 0 0 "[ . 1 . 2]" 2
80 1 108 LEU O 1 112 VAL H 2.200 . 2.200 2.183 2.082 2.218 0.018 11 0 "[ . 1 . 2]" 2
81 1 109 GLU O 1 113 LEU N 3.200 2.700 3.200 2.671 2.653 2.691 0.047 14 0 "[ . 1 . 2]" 2
82 1 109 GLU O 1 113 LEU H 2.200 . 2.200 1.755 1.732 1.769 0.068 18 0 "[ . 1 . 2]" 2
83 1 110 LYS O 1 114 MET N 3.200 2.700 3.200 3.102 3.055 3.144 . 0 0 "[ . 1 . 2]" 2
84 1 110 LYS O 1 114 MET H 2.200 . 2.200 2.233 2.218 2.243 0.043 14 0 "[ . 1 . 2]" 2
85 1 111 GLU O 1 115 GLU N 3.200 2.700 3.200 2.905 2.819 3.019 . 0 0 "[ . 1 . 2]" 2
86 1 111 GLU O 1 115 GLU H 2.200 . 2.200 1.989 1.897 2.121 . 0 0 "[ . 1 . 2]" 2
87 1 112 VAL O 1 116 LYS N 3.200 2.700 3.200 3.009 2.848 3.112 . 0 0 "[ . 1 . 2]" 2
88 1 112 VAL O 1 116 LYS H 2.200 . 2.200 2.146 2.020 2.223 0.023 6 0 "[ . 1 . 2]" 2
89 1 113 LEU O 1 117 GLU N 3.200 2.700 3.200 2.998 2.796 3.108 . 0 0 "[ . 1 . 2]" 2
90 1 113 LEU O 1 117 GLU H 2.200 . 2.200 2.086 1.880 2.212 0.012 2 0 "[ . 1 . 2]" 2
91 1 114 MET O 1 118 ILE N 3.200 2.700 3.200 2.714 2.686 2.745 0.014 7 0 "[ . 1 . 2]" 2
92 1 114 MET O 1 118 ILE H 2.200 . 2.200 1.778 1.764 1.798 0.036 5 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 3:37:36 PM GMT (wattos1)