NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485630 |
2k5w   |
15850 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k5w
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 1414
_Distance_constraint_stats_list.Viol_count 424
_Distance_constraint_stats_list.Viol_total 390.244
_Distance_constraint_stats_list.Viol_max 0.555
_Distance_constraint_stats_list.Viol_rms 0.0093
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0460
_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 3 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.013 0.013 14 0 "[ . 1 . 2]"
1 5 SER 0.013 0.013 14 0 "[ . 1 . 2]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.432 0.152 6 0 "[ . 1 . 2]"
1 9 ILE 0.549 0.152 6 0 "[ . 1 . 2]"
1 10 GLY 0.245 0.073 15 0 "[ . 1 . 2]"
1 11 LYS 0.360 0.115 16 0 "[ . 1 . 2]"
1 12 ASP 0.192 0.081 10 0 "[ . 1 . 2]"
1 13 VAL 0.164 0.078 17 0 "[ . 1 . 2]"
1 14 TYR 0.224 0.036 8 0 "[ . 1 . 2]"
1 15 TYR 0.170 0.170 11 0 "[ . 1 . 2]"
1 16 MET 1.758 0.085 14 0 "[ . 1 . 2]"
1 17 GLN 0.244 0.102 3 0 "[ . 1 . 2]"
1 18 ILE 0.256 0.072 6 0 "[ . 1 . 2]"
1 19 LYS 0.026 0.024 8 0 "[ . 1 . 2]"
1 20 GLY 0.120 0.091 6 0 "[ . 1 . 2]"
1 21 GLU 0.350 0.168 1 0 "[ . 1 . 2]"
1 22 GLY 0.120 0.091 6 0 "[ . 1 . 2]"
1 23 THR 0.277 0.082 12 0 "[ . 1 . 2]"
1 24 ILE 1.055 0.176 1 0 "[ . 1 . 2]"
1 25 GLU 0.202 0.065 8 0 "[ . 1 . 2]"
1 26 LYS 2.843 0.184 4 0 "[ . 1 . 2]"
1 27 VAL 0.128 0.065 8 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 1.369 0.184 4 0 "[ . 1 . 2]"
1 30 ARG 0.503 0.072 15 0 "[ . 1 . 2]"
1 31 ASN 0.143 0.100 18 0 "[ . 1 . 2]"
1 32 LEU 0.068 0.036 1 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASN 0.232 0.082 12 0 "[ . 1 . 2]"
1 35 TYR 0.038 0.017 11 0 "[ . 1 . 2]"
1 36 THR 0.011 0.011 19 0 "[ . 1 . 2]"
1 37 LEU 0.181 0.072 6 0 "[ . 1 . 2]"
1 38 PRO 0.091 0.027 15 0 "[ . 1 . 2]"
1 39 ALA 0.046 0.019 18 0 "[ . 1 . 2]"
1 40 TYR 2.951 0.555 16 1 "[ . 1 .+ 2]"
1 41 ASP 0.092 0.049 1 0 "[ . 1 . 2]"
1 42 GLU 0.528 0.170 11 0 "[ . 1 . 2]"
1 43 ASP 0.367 0.096 16 0 "[ . 1 . 2]"
1 44 GLY 2.948 0.555 16 1 "[ . 1 .+ 2]"
1 45 VAL 0.444 0.096 16 0 "[ . 1 . 2]"
1 46 LYS 0.052 0.027 15 0 "[ . 1 . 2]"
1 47 LYS 0.050 0.029 17 0 "[ . 1 . 2]"
1 48 GLN 0.020 0.011 19 0 "[ . 1 . 2]"
1 49 ILE 0.930 0.069 14 0 "[ . 1 . 2]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PHE 0.109 0.038 14 0 "[ . 1 . 2]"
1 52 ARG 0.346 0.165 2 0 "[ . 1 . 2]"
1 53 SER 0.384 0.165 2 0 "[ . 1 . 2]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.316 0.155 13 0 "[ . 1 . 2]"
1 62 LEU 0.892 0.188 7 0 "[ . 1 . 2]"
1 63 ASN 0.231 0.057 4 0 "[ . 1 . 2]"
1 64 LYS 0.014 0.014 11 0 "[ . 1 . 2]"
1 65 TYR 0.208 0.102 3 0 "[ . 1 . 2]"
1 66 ALA 0.231 0.057 4 0 "[ . 1 . 2]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 0.479 0.188 7 0 "[ . 1 . 2]"
1 69 ARG 0.400 0.037 17 0 "[ . 1 . 2]"
1 70 LEU 1.088 0.122 9 0 "[ . 1 . 2]"
1 71 TYR 0.262 0.060 4 0 "[ . 1 . 2]"
1 72 VAL 0.247 0.081 10 0 "[ . 1 . 2]"
1 73 ASP 0.442 0.172 3 0 "[ . 1 . 2]"
1 74 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASP 0.095 0.095 3 0 "[ . 1 . 2]"
1 77 ASN 0.095 0.095 3 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ILE 0.159 0.065 10 0 "[ . 1 . 2]"
1 83 SER 0.159 0.065 10 0 "[ . 1 . 2]"
1 84 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 1.066 0.122 9 0 "[ . 1 . 2]"
1 88 LYS 0.933 0.172 3 0 "[ . 1 . 2]"
1 89 SER 0.008 0.008 7 0 "[ . 1 . 2]"
1 90 TYR 0.766 0.085 14 0 "[ . 1 . 2]"
1 91 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLU 0.039 0.018 15 0 "[ . 1 . 2]"
1 93 ILE 0.719 0.056 2 0 "[ . 1 . 2]"
1 94 GLN 0.288 0.056 2 0 "[ . 1 . 2]"
1 95 LYS 0.016 0.016 3 0 "[ . 1 . 2]"
1 96 ALA 0.036 0.031 4 0 "[ . 1 . 2]"
1 97 ASP 0.038 0.021 3 0 "[ . 1 . 2]"
1 98 LEU 0.050 0.033 16 0 "[ . 1 . 2]"
1 99 PRO 0.585 0.156 18 0 "[ . 1 . 2]"
1 100 GLU 0.783 0.103 1 0 "[ . 1 . 2]"
1 101 LYS 0.745 0.156 18 0 "[ . 1 . 2]"
1 102 VAL 0.169 0.049 8 0 "[ . 1 . 2]"
1 103 LYS 0.759 0.103 1 0 "[ . 1 . 2]"
1 104 ASP 0.289 0.087 13 0 "[ . 1 . 2]"
1 105 LYS 0.014 0.009 4 0 "[ . 1 . 2]"
1 106 PHE 0.343 0.063 15 0 "[ . 1 . 2]"
1 107 THR 0.170 0.045 3 0 "[ . 1 . 2]"
1 108 ILE 2.027 0.364 3 0 "[ . 1 . 2]"
1 109 LYS 1.745 0.364 3 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 49 ILE HA 1 49 ILE MD 4.540 . 4.990 3.818 3.784 3.846 . 0 0 "[ . 1 . 2]" 1
2 1 39 ALA HA 1 49 ILE MD 5.170 . 5.690 4.724 4.491 5.083 . 0 0 "[ . 1 . 2]" 1
3 1 14 TYR HB2 1 49 ILE MD 3.990 . 4.390 3.007 2.524 3.697 . 0 0 "[ . 1 . 2]" 1
4 1 14 TYR HB3 1 49 ILE MD 4.070 . 4.480 2.907 2.547 3.329 . 0 0 "[ . 1 . 2]" 1
5 1 49 ILE MD 1 87 VAL QG 3.160 . 3.480 2.515 2.000 3.030 . 0 0 "[ . 1 . 2]" 1
6 1 39 ALA MB 1 49 ILE MD 3.010 . 3.310 2.227 1.987 2.490 . 0 0 "[ . 1 . 2]" 1
7 1 49 ILE MD 1 49 ILE MG 2.950 . 3.250 1.940 1.904 1.968 . 0 0 "[ . 1 . 2]" 1
8 1 14 TYR HA 1 49 ILE MD 5.150 . 5.670 4.866 4.496 5.359 . 0 0 "[ . 1 . 2]" 1
9 1 16 MET ME 1 49 ILE MD 3.720 . 4.090 2.873 2.372 3.850 . 0 0 "[ . 1 . 2]" 1
10 1 16 MET HB2 1 49 ILE MD 4.270 . 4.700 3.877 3.394 4.262 . 0 0 "[ . 1 . 2]" 1
11 1 16 MET HB3 1 49 ILE MD 4.990 . 5.490 4.999 4.185 5.460 . 0 0 "[ . 1 . 2]" 1
12 1 18 ILE MD 1 19 LYS H 4.910 . 5.400 3.670 3.570 3.767 . 0 0 "[ . 1 . 2]" 1
13 1 18 ILE MD 1 62 LEU QD . . 3.670 2.244 1.749 2.751 0.051 8 0 "[ . 1 . 2]" 1
14 1 18 ILE MD 1 37 LEU HB2 5.060 . 5.570 4.120 3.141 4.774 . 0 0 "[ . 1 . 2]" 1
15 1 18 ILE MD 1 37 LEU MD1 3.620 . 3.980 2.090 1.888 2.411 . 0 0 "[ . 1 . 2]" 1
16 1 18 ILE MD 1 62 LEU HB3 4.020 . 4.420 3.407 2.356 4.237 . 0 0 "[ . 1 . 2]" 1
17 1 18 ILE MD 1 51 PHE HE1 4.780 . 5.260 3.460 2.850 4.457 . 0 0 "[ . 1 . 2]" 1
18 1 18 ILE MD 1 51 PHE HE2 5.000 . 5.500 3.773 3.180 4.557 . 0 0 "[ . 1 . 2]" 1
19 1 98 LEU QD 1 106 PHE HE2 . . 4.350 2.777 2.431 3.261 . 0 0 "[ . 1 . 2]" 1
20 1 95 LYS HG2 1 98 LEU QD 3.910 . 4.300 3.443 2.813 4.238 . 0 0 "[ . 1 . 2]" 1
21 1 93 ILE MD 1 98 LEU QD . . 3.220 2.082 1.874 2.249 . 0 0 "[ . 1 . 2]" 1
22 1 95 LYS HG3 1 98 LEU QD 3.910 . 4.300 2.484 1.994 3.489 . 0 0 "[ . 1 . 2]" 1
23 1 67 PHE HB2 1 98 LEU QD 4.390 . 4.830 3.387 2.960 3.880 . 0 0 "[ . 1 . 2]" 1
24 1 98 LEU QD 1 103 LYS HA 3.620 . 3.980 2.784 2.266 3.357 . 0 0 "[ . 1 . 2]" 1
25 1 98 LEU HA 1 98 LEU QD . . 3.650 2.096 2.032 2.150 . 0 0 "[ . 1 . 2]" 1
26 1 98 LEU QD 1 103 LYS HB3 3.690 . 4.060 3.302 2.790 3.661 . 0 0 "[ . 1 . 2]" 1
27 1 67 PHE QD 1 98 LEU QD 4.110 . 4.400 2.500 2.231 2.808 . 0 0 "[ . 1 . 2]" 1
28 1 97 ASP H 1 98 LEU QD 5.000 . 5.500 4.301 3.985 4.594 . 0 0 "[ . 1 . 2]" 1
29 1 16 MET H 1 68 LEU QD 5.270 . 5.800 4.670 4.189 5.005 . 0 0 "[ . 1 . 2]" 1
30 1 68 LEU QD 1 69 ARG H . . 4.440 3.378 3.236 3.438 . 0 0 "[ . 1 . 2]" 1
31 1 51 PHE HE1 1 68 LEU QD 5.360 . 5.900 4.510 3.242 5.478 . 0 0 "[ . 1 . 2]" 1
32 1 51 PHE HE2 1 68 LEU QD 5.500 . 6.050 4.218 3.640 5.005 . 0 0 "[ . 1 . 2]" 1
33 1 67 PHE HA 1 68 LEU QD 5.140 . 5.650 4.204 4.084 4.378 . 0 0 "[ . 1 . 2]" 1
34 1 68 LEU QD 1 90 TYR HB2 4.390 . 4.830 3.064 2.756 3.415 . 0 0 "[ . 1 . 2]" 1
35 1 68 LEU QD 1 92 GLU HA . . 3.750 1.874 1.782 2.026 0.018 15 0 "[ . 1 . 2]" 1
36 1 18 ILE MG 1 68 LEU QD 4.390 . 4.830 3.975 3.596 4.382 . 0 0 "[ . 1 . 2]" 1
37 1 62 LEU QD 1 68 LEU QD 4.020 . 4.420 2.117 1.612 2.688 0.188 7 0 "[ . 1 . 2]" 1
38 1 16 MET HB3 1 68 LEU QD 4.690 . 5.160 3.582 2.657 4.207 . 0 0 "[ . 1 . 2]" 1
39 1 18 ILE HG12 1 68 LEU QD 4.050 . 4.460 2.747 2.413 3.570 . 0 0 "[ . 1 . 2]" 1
40 1 16 MET ME 1 68 LEU QD 4.510 . 4.960 4.133 2.700 4.863 . 0 0 "[ . 1 . 2]" 1
41 1 18 ILE HG13 1 68 LEU QD 4.050 . 4.460 2.725 2.062 3.528 . 0 0 "[ . 1 . 2]" 1
42 1 51 PHE HZ 1 68 LEU QD 4.830 . 5.310 3.780 2.847 4.706 . 0 0 "[ . 1 . 2]" 1
43 1 13 VAL QG 1 15 TYR QD 4.350 . 4.790 3.782 3.466 4.010 . 0 0 "[ . 1 . 2]" 1
44 1 13 VAL QG 1 69 ARG HD2 3.900 . 4.290 3.470 2.086 4.098 . 0 0 "[ . 1 . 2]" 1
45 1 13 VAL HA 1 13 VAL QG 3.140 . 3.450 2.148 2.140 2.158 . 0 0 "[ . 1 . 2]" 1
46 1 13 VAL QG 1 15 TYR QE 3.440 . 3.780 2.991 2.740 3.292 . 0 0 "[ . 1 . 2]" 1
47 1 13 VAL H 1 13 VAL QG . . 3.930 2.480 2.262 2.774 . 0 0 "[ . 1 . 2]" 1
48 1 13 VAL QG 1 71 TYR QD . . 3.510 2.614 1.849 3.087 . 0 0 "[ . 1 . 2]" 1
49 1 13 VAL QG 1 41 ASP HA 4.600 . 5.060 4.715 4.337 4.969 . 0 0 "[ . 1 . 2]" 1
50 1 13 VAL QG 1 14 TYR HB2 5.430 . 5.970 4.629 4.362 4.859 . 0 0 "[ . 1 . 2]" 1
51 1 18 ILE MG 1 62 LEU HG 5.500 . 6.050 5.135 4.453 5.890 . 0 0 "[ . 1 . 2]" 1
52 1 18 ILE MD 1 18 ILE MG 3.160 . 3.480 1.997 1.944 2.045 . 0 0 "[ . 1 . 2]" 1
53 1 18 ILE MG 1 64 LYS HA 3.790 . 4.170 2.791 1.786 3.611 0.014 11 0 "[ . 1 . 2]" 1
54 1 18 ILE MG 1 62 LEU HB3 3.480 . 3.830 2.718 2.193 3.803 . 0 0 "[ . 1 . 2]" 1
55 1 18 ILE MG 1 65 TYR H 4.730 . 5.200 4.175 3.051 5.049 . 0 0 "[ . 1 . 2]" 1
56 1 18 ILE MG 1 19 LYS HA 4.180 . 4.600 3.545 3.104 4.085 . 0 0 "[ . 1 . 2]" 1
57 1 18 ILE MG 1 19 LYS H 3.960 . 4.360 2.814 2.191 3.122 . 0 0 "[ . 1 . 2]" 1
58 1 18 ILE MG 1 66 ALA H 4.800 . 5.280 3.993 3.374 4.733 . 0 0 "[ . 1 . 2]" 1
59 1 18 ILE MG 1 62 LEU QD 3.920 . 4.310 3.062 2.411 3.570 . 0 0 "[ . 1 . 2]" 1
60 1 49 ILE MG 1 51 PHE HD1 4.140 . 4.550 2.935 2.461 3.684 . 0 0 "[ . 1 . 2]" 1
61 1 49 ILE MG 1 70 LEU MD2 3.370 . 3.710 2.414 2.024 2.817 . 0 0 "[ . 1 . 2]" 1
62 1 49 ILE MG 1 87 VAL QG 2.790 . 3.070 2.328 1.830 2.839 . 0 0 "[ . 1 . 2]" 1
63 1 37 LEU H 1 49 ILE MG 4.840 . 5.320 4.550 4.334 4.767 . 0 0 "[ . 1 . 2]" 1
64 1 16 MET HB3 1 49 ILE MG 5.260 . 5.790 5.752 5.372 5.852 0.062 19 0 "[ . 1 . 2]" 1
65 1 16 MET HB2 1 49 ILE MG 4.660 . 5.130 5.134 4.989 5.199 0.069 14 0 "[ . 1 . 2]" 1
66 1 49 ILE MG 1 87 VAL HB 5.020 . 5.520 3.979 3.301 4.838 . 0 0 "[ . 1 . 2]" 1
67 1 98 LEU QD 1 102 VAL HA 5.500 . 6.050 4.726 4.475 5.001 . 0 0 "[ . 1 . 2]" 1
68 1 98 LEU QD 1 99 PRO HD3 3.860 . 4.250 3.948 3.520 4.178 . 0 0 "[ . 1 . 2]" 1
69 1 15 TYR HB3 1 98 LEU QD 4.070 . 4.480 2.248 1.975 2.547 . 0 0 "[ . 1 . 2]" 1
70 1 15 TYR HB2 1 98 LEU QD 3.570 . 3.930 3.125 2.946 3.408 . 0 0 "[ . 1 . 2]" 1
71 1 98 LEU QD 1 102 VAL HB 3.830 . 4.210 3.425 3.202 3.635 . 0 0 "[ . 1 . 2]" 1
72 1 98 LEU QD 1 99 PRO HD2 3.860 . 4.250 3.059 2.715 3.352 . 0 0 "[ . 1 . 2]" 1
73 1 15 TYR QD 1 98 LEU QD 3.420 . 3.760 2.371 2.153 2.827 . 0 0 "[ . 1 . 2]" 1
74 1 98 LEU QD 1 102 VAL QG 3.390 . 3.730 1.918 1.767 2.137 0.033 16 0 "[ . 1 . 2]" 1
75 1 68 LEU H 1 68 LEU QD 4.680 . 4.990 3.447 3.299 3.604 . 0 0 "[ . 1 . 2]" 1
76 1 68 LEU HA 1 68 LEU QD 3.440 . 3.780 2.034 1.979 2.077 . 0 0 "[ . 1 . 2]" 1
77 1 14 TYR QD 1 70 LEU MD1 5.500 . 6.050 5.105 4.678 5.673 . 0 0 "[ . 1 . 2]" 1
78 1 51 PHE HD1 1 70 LEU MD1 5.500 . 6.050 5.574 4.912 6.088 0.038 14 0 "[ . 1 . 2]" 1
79 1 70 LEU MD1 1 90 TYR QD 5.500 . 6.050 4.262 3.939 4.550 . 0 0 "[ . 1 . 2]" 1
80 1 70 LEU MD1 1 87 VAL QG 4.260 . 4.690 3.611 3.470 3.898 . 0 0 "[ . 1 . 2]" 1
81 1 69 ARG HA 1 70 LEU MD1 4.650 . 5.120 2.942 2.803 3.079 . 0 0 "[ . 1 . 2]" 1
82 1 70 LEU MD1 1 90 TYR HB2 4.710 . 5.180 2.931 2.649 3.216 . 0 0 "[ . 1 . 2]" 1
83 1 70 LEU MD1 1 90 TYR HB3 5.380 . 5.920 3.452 2.996 3.793 . 0 0 "[ . 1 . 2]" 1
84 1 14 TYR HB3 1 70 LEU MD1 4.730 . 5.200 4.026 3.553 4.752 . 0 0 "[ . 1 . 2]" 1
85 1 68 LEU H 1 70 LEU MD1 4.930 . 5.420 4.180 3.939 4.525 . 0 0 "[ . 1 . 2]" 1
86 1 16 MET ME 1 70 LEU MD1 3.340 . 3.670 2.832 2.137 3.140 . 0 0 "[ . 1 . 2]" 1
87 1 16 MET HB3 1 70 LEU MD1 3.640 . 4.000 2.260 1.973 2.546 . 0 0 "[ . 1 . 2]" 1
88 1 14 TYR HB2 1 70 LEU MD1 4.320 . 4.750 3.627 3.212 4.283 . 0 0 "[ . 1 . 2]" 1
89 1 16 MET HA 1 70 LEU MD1 4.740 . 5.210 4.273 3.986 4.493 . 0 0 "[ . 1 . 2]" 1
90 1 68 LEU QD 1 91 GLU HA 5.030 . 5.530 3.998 3.500 4.360 . 0 0 "[ . 1 . 2]" 1
91 1 98 LEU HB3 1 103 LYS H 5.040 . 5.540 3.223 2.894 3.536 . 0 0 "[ . 1 . 2]" 1
92 1 62 LEU QD 1 90 TYR QE . . 4.940 2.692 1.915 3.800 . 0 0 "[ . 1 . 2]" 1
93 1 62 LEU H 1 62 LEU QD 4.630 . 4.970 3.276 2.836 3.849 . 0 0 "[ . 1 . 2]" 1
94 1 51 PHE HE2 1 62 LEU QD 3.500 . 3.850 2.344 1.773 2.990 0.027 19 0 "[ . 1 . 2]" 1
95 1 51 PHE HD2 1 62 LEU QD 4.520 . 4.970 3.903 3.056 4.561 . 0 0 "[ . 1 . 2]" 1
96 1 101 LYS H 1 102 VAL QG 4.870 . 5.360 4.068 3.713 4.419 . 0 0 "[ . 1 . 2]" 1
97 1 99 PRO HG3 1 102 VAL QG 4.170 . 4.590 3.018 2.817 3.599 . 0 0 "[ . 1 . 2]" 1
98 1 40 TYR HB2 1 102 VAL QG 3.960 . 4.360 2.364 2.065 2.674 . 0 0 "[ . 1 . 2]" 1
99 1 42 GLU HA 1 102 VAL QG 3.410 . 3.750 2.793 1.969 3.443 . 0 0 "[ . 1 . 2]" 1
100 1 15 TYR QD 1 102 VAL QG 3.220 . 3.540 2.300 1.984 2.541 . 0 0 "[ . 1 . 2]" 1
101 1 102 VAL QG 1 103 LYS H 3.990 . 4.100 3.048 2.979 3.129 . 0 0 "[ . 1 . 2]" 1
102 1 40 TYR QD 1 102 VAL QG 5.320 . 5.590 3.353 2.954 3.743 . 0 0 "[ . 1 . 2]" 1
103 1 99 PRO HG2 1 102 VAL QG 4.170 . 4.590 1.940 1.831 2.254 . 0 0 "[ . 1 . 2]" 1
104 1 24 ILE HB 1 24 ILE MD 3.490 . 3.840 3.246 3.241 3.249 . 0 0 "[ . 1 . 2]" 1
105 1 23 THR HA 1 24 ILE MD 4.680 . 5.150 4.387 4.002 4.656 . 0 0 "[ . 1 . 2]" 1
106 1 24 ILE H 1 24 ILE MD 4.300 . 4.730 3.564 3.250 3.873 . 0 0 "[ . 1 . 2]" 1
107 1 24 ILE HA 1 24 ILE MD 3.320 . 3.650 2.047 1.973 2.163 . 0 0 "[ . 1 . 2]" 1
108 1 24 ILE MD 1 25 GLU H 3.970 . 4.370 3.725 3.537 3.996 . 0 0 "[ . 1 . 2]" 1
109 1 30 ARG HB2 1 32 LEU MD2 3.930 . 4.320 3.304 2.830 3.794 . 0 0 "[ . 1 . 2]" 1
110 1 30 ARG HB3 1 32 LEU MD2 4.130 . 4.540 3.213 2.657 3.681 . 0 0 "[ . 1 . 2]" 1
111 1 32 LEU HA 1 32 LEU MD2 3.330 . 3.660 2.061 2.025 2.140 . 0 0 "[ . 1 . 2]" 1
112 1 102 VAL QG 1 103 LYS HB3 3.770 . 4.150 4.106 4.071 4.150 0.000 18 0 "[ . 1 . 2]" 1
113 1 32 LEU H 1 32 LEU MD2 4.340 . 4.770 3.512 3.366 3.643 . 0 0 "[ . 1 . 2]" 1
114 1 102 VAL QG 1 103 LYS HA 3.890 . 4.280 3.145 3.012 3.268 . 0 0 "[ . 1 . 2]" 1
115 1 27 VAL H 1 32 LEU MD2 4.530 . 4.980 4.480 4.084 4.835 . 0 0 "[ . 1 . 2]" 1
116 1 98 LEU HB2 1 102 VAL QG 3.800 . 4.180 3.601 3.234 4.052 . 0 0 "[ . 1 . 2]" 1
117 1 102 VAL QG 1 106 PHE HE2 3.460 . 3.810 2.036 1.944 2.213 . 0 0 "[ . 1 . 2]" 1
118 1 102 VAL H 1 102 VAL QG . . 3.510 2.236 2.085 2.361 . 0 0 "[ . 1 . 2]" 1
119 1 15 TYR HB2 1 102 VAL QG 3.770 . 4.150 2.299 1.889 2.546 . 0 0 "[ . 1 . 2]" 1
120 1 24 ILE MG 1 31 ASN HA 3.770 . 4.150 3.024 2.517 3.631 . 0 0 "[ . 1 . 2]" 1
121 1 24 ILE MG 1 25 GLU HA 3.960 . 4.360 3.625 3.196 3.915 . 0 0 "[ . 1 . 2]" 1
122 1 24 ILE MG 1 26 LYS H 4.420 . 4.860 3.848 3.315 4.513 . 0 0 "[ . 1 . 2]" 1
123 1 24 ILE MG 1 31 ASN HB3 3.840 . 4.220 2.650 1.818 3.748 . 0 0 "[ . 1 . 2]" 1
124 1 24 ILE MG 1 25 GLU H 3.480 . 3.830 2.842 2.357 3.163 . 0 0 "[ . 1 . 2]" 1
125 1 24 ILE HG12 1 24 ILE MG 3.340 . 3.670 3.219 3.211 3.224 . 0 0 "[ . 1 . 2]" 1
126 1 24 ILE HA 1 24 ILE MG 3.520 . 3.870 2.423 2.346 2.497 . 0 0 "[ . 1 . 2]" 1
127 1 24 ILE HG13 1 24 ILE MG 3.300 . 3.630 2.370 2.343 2.393 . 0 0 "[ . 1 . 2]" 1
128 1 24 ILE H 1 24 ILE MG 3.970 . 4.370 3.829 3.776 3.868 . 0 0 "[ . 1 . 2]" 1
129 1 13 VAL QG 1 14 TYR H . . 3.830 2.740 2.463 2.947 . 0 0 "[ . 1 . 2]" 1
130 1 12 ASP HA 1 13 VAL QG 4.650 . 5.120 4.389 4.001 4.600 . 0 0 "[ . 1 . 2]" 1
131 1 13 VAL QG 1 71 TYR HA 4.830 . 4.960 3.348 2.801 3.831 . 0 0 "[ . 1 . 2]" 1
132 1 27 VAL H 1 32 LEU MD1 4.480 . 4.930 3.482 3.163 3.903 . 0 0 "[ . 1 . 2]" 1
133 1 26 LYS HA 1 32 LEU MD1 5.390 . 5.930 4.872 4.528 5.419 . 0 0 "[ . 1 . 2]" 1
134 1 27 VAL HB 1 32 LEU MD1 3.340 . 3.670 2.240 1.795 2.707 0.005 2 0 "[ . 1 . 2]" 1
135 1 32 LEU HB3 1 32 LEU MD1 3.420 . 3.760 2.379 2.356 2.418 . 0 0 "[ . 1 . 2]" 1
136 1 32 LEU HA 1 32 LEU MD1 4.560 . 5.020 3.874 3.849 3.918 . 0 0 "[ . 1 . 2]" 1
137 1 105 LYS H 1 105 LYS HB3 4.180 . 4.600 3.614 3.594 3.631 . 0 0 "[ . 1 . 2]" 1
138 1 27 VAL HA 1 27 VAL MG2 3.250 . 3.580 2.441 2.400 2.509 . 0 0 "[ . 1 . 2]" 1
139 1 6 LEU HA 1 6 LEU MD2 4.000 . 4.400 2.843 1.983 3.912 . 0 0 "[ . 1 . 2]" 1
140 1 9 ILE HB 1 9 ILE MD 3.460 . 3.810 2.761 2.371 3.249 . 0 0 "[ . 1 . 2]" 1
141 1 9 ILE H 1 9 ILE MD 4.420 . 4.860 3.529 2.193 4.007 . 0 0 "[ . 1 . 2]" 1
142 1 69 ARG HG2 1 71 TYR QD 4.870 . 5.360 4.140 3.896 4.373 . 0 0 "[ . 1 . 2]" 1
143 1 9 ILE MG 1 10 GLY HA2 4.220 . 4.640 3.451 3.121 3.676 . 0 0 "[ . 1 . 2]" 1
144 1 9 ILE MG 1 10 GLY HA3 4.870 . 5.360 4.184 3.933 4.471 . 0 0 "[ . 1 . 2]" 1
145 1 9 ILE H 1 9 ILE MG 4.160 . 4.580 3.822 3.750 3.898 . 0 0 "[ . 1 . 2]" 1
146 1 27 VAL H 1 27 VAL MG1 4.110 . 4.520 3.860 3.821 3.918 . 0 0 "[ . 1 . 2]" 1
147 1 9 ILE HG12 1 9 ILE MG 3.320 . 3.650 2.721 2.242 3.220 . 0 0 "[ . 1 . 2]" 1
148 1 9 ILE HG13 1 9 ILE MG 3.320 . 3.650 2.806 2.352 3.222 . 0 0 "[ . 1 . 2]" 1
149 1 27 VAL MG1 1 28 ASP HB3 4.330 . 4.760 4.339 3.573 4.598 . 0 0 "[ . 1 . 2]" 1
150 1 27 VAL MG1 1 28 ASP H 4.310 . 4.740 2.669 2.312 3.010 . 0 0 "[ . 1 . 2]" 1
151 1 108 ILE HB 1 108 ILE MD 3.370 . 3.710 3.043 2.405 3.253 . 0 0 "[ . 1 . 2]" 1
152 1 106 PHE H 1 108 ILE MD 5.020 . 5.520 4.773 4.001 5.583 0.063 15 0 "[ . 1 . 2]" 1
153 1 106 PHE HD1 1 108 ILE MD 5.500 . 6.050 5.751 4.950 6.112 0.062 12 0 "[ . 1 . 2]" 1
154 1 102 VAL HA 1 105 LYS HB2 4.810 . 5.290 2.619 2.210 2.914 . 0 0 "[ . 1 . 2]" 1
155 1 67 PHE HB2 1 93 ILE HG12 4.670 . 5.140 3.628 3.235 3.936 . 0 0 "[ . 1 . 2]" 1
156 1 108 ILE HG12 1 108 ILE MG 3.300 . 3.630 3.005 2.348 3.220 . 0 0 "[ . 1 . 2]" 1
157 1 108 ILE H 1 108 ILE MG 4.160 . 4.580 4.028 3.895 4.115 . 0 0 "[ . 1 . 2]" 1
158 1 108 ILE HA 1 108 ILE MG 3.250 . 3.580 2.376 2.309 2.459 . 0 0 "[ . 1 . 2]" 1
159 1 108 ILE HG13 1 108 ILE MG 3.300 . 3.630 2.577 2.339 3.217 . 0 0 "[ . 1 . 2]" 1
160 1 14 TYR QE 1 72 VAL QG 3.140 . 3.450 2.238 1.774 2.934 0.026 8 0 "[ . 1 . 2]" 1
161 1 82 ILE MD 1 82 ILE MG 3.370 . 3.710 2.298 1.923 3.271 . 0 0 "[ . 1 . 2]" 1
162 1 85 ILE HA 1 85 ILE MD 4.360 . 4.800 3.710 2.015 4.209 . 0 0 "[ . 1 . 2]" 1
163 1 93 ILE H 1 93 ILE MD 4.140 . 4.550 3.868 3.725 4.013 . 0 0 "[ . 1 . 2]" 1
164 1 15 TYR QD 1 93 ILE MD 3.450 . 3.790 2.131 1.843 2.456 . 0 0 "[ . 1 . 2]" 1
165 1 69 ARG H 1 93 ILE MD 4.370 . 4.810 3.668 3.422 3.898 . 0 0 "[ . 1 . 2]" 1
166 1 67 PHE HB3 1 93 ILE MD 4.130 . 4.540 3.262 2.851 3.780 . 0 0 "[ . 1 . 2]" 1
167 1 68 LEU HA 1 93 ILE MD 4.410 . 4.850 4.009 3.638 4.319 . 0 0 "[ . 1 . 2]" 1
168 1 69 ARG HD2 1 93 ILE MD 4.530 . 4.980 3.673 2.070 4.485 . 0 0 "[ . 1 . 2]" 1
169 1 93 ILE MD 1 97 ASP HB3 3.370 . 3.710 2.406 1.779 2.906 0.021 3 0 "[ . 1 . 2]" 1
170 1 69 ARG HB2 1 93 ILE MD 4.230 . 4.650 1.826 1.770 2.103 0.030 17 0 "[ . 1 . 2]" 1
171 1 93 ILE MD 1 98 LEU HA 4.660 . 5.130 3.586 3.039 3.996 . 0 0 "[ . 1 . 2]" 1
172 1 70 LEU MD2 1 87 VAL QG 3.060 . 3.370 1.818 1.721 2.161 0.079 14 0 "[ . 1 . 2]" 1
173 1 93 ILE HB 1 93 ILE MD 3.530 . 3.880 2.440 2.405 2.464 . 0 0 "[ . 1 . 2]" 1
174 1 69 ARG HD3 1 93 ILE MD 4.530 . 4.980 3.947 2.754 4.996 0.016 18 0 "[ . 1 . 2]" 1
175 1 93 ILE MD 1 97 ASP H 4.460 . 4.910 4.113 3.846 4.675 . 0 0 "[ . 1 . 2]" 1
176 1 69 ARG HA 1 93 ILE MD 4.150 . 4.570 3.360 3.131 3.778 . 0 0 "[ . 1 . 2]" 1
177 1 69 ARG HB2 1 93 ILE MG 3.880 . 4.270 2.539 2.141 3.244 . 0 0 "[ . 1 . 2]" 1
178 1 93 ILE HG13 1 93 ILE MG 3.400 . 3.740 3.220 3.216 3.227 . 0 0 "[ . 1 . 2]" 1
179 1 69 ARG H 1 93 ILE MG 3.420 . 3.760 3.280 2.971 3.771 0.011 1 0 "[ . 1 . 2]" 1
180 1 70 LEU HB3 1 87 VAL QG 4.620 . 5.080 2.062 1.691 2.333 0.109 9 0 "[ . 1 . 2]" 1
181 1 70 LEU HG 1 87 VAL QG 4.060 . 4.470 2.533 2.226 2.907 . 0 0 "[ . 1 . 2]" 1
182 1 15 TYR QD 1 93 ILE MG 4.870 . 5.360 4.507 3.827 4.976 . 0 0 "[ . 1 . 2]" 1
183 1 93 ILE H 1 93 ILE MG 3.910 . 4.300 2.880 2.743 3.051 . 0 0 "[ . 1 . 2]" 1
184 1 93 ILE MG 1 97 ASP HB2 4.490 . 4.940 3.575 3.112 4.401 . 0 0 "[ . 1 . 2]" 1
185 1 93 ILE MG 1 97 ASP HB3 4.670 . 5.140 3.245 2.883 3.669 . 0 0 "[ . 1 . 2]" 1
186 1 15 TYR QE 1 93 ILE MG 4.510 . 4.960 4.263 3.551 4.765 . 0 0 "[ . 1 . 2]" 1
187 1 68 LEU HA 1 93 ILE MG 4.870 . 5.360 3.821 3.611 4.110 . 0 0 "[ . 1 . 2]" 1
188 1 70 LEU HB2 1 87 VAL QG 4.620 . 5.080 3.239 2.827 3.572 . 0 0 "[ . 1 . 2]" 1
189 1 87 VAL QG 1 90 TYR HB3 3.460 . 3.810 2.851 2.444 3.449 . 0 0 "[ . 1 . 2]" 1
190 1 68 LEU H 1 93 ILE MG 5.500 . 6.050 5.680 5.390 6.079 0.029 14 0 "[ . 1 . 2]" 1
191 1 87 VAL QG 1 90 TYR QD 4.180 . 4.600 3.315 2.532 4.113 . 0 0 "[ . 1 . 2]" 1
192 1 70 LEU H 1 93 ILE MD 5.380 . 5.920 5.162 4.956 5.547 . 0 0 "[ . 1 . 2]" 1
193 1 18 ILE HB 1 62 LEU QD 4.460 . 4.910 4.453 3.868 4.758 . 0 0 "[ . 1 . 2]" 1
194 1 18 ILE H 1 62 LEU QD 5.500 . 6.050 5.365 5.048 5.814 . 0 0 "[ . 1 . 2]" 1
195 1 61 LYS H 1 62 LEU QD 5.500 . 6.050 4.660 4.050 5.156 . 0 0 "[ . 1 . 2]" 1
196 1 85 ILE H 1 85 ILE MG 4.130 . 4.540 2.666 1.977 3.859 . 0 0 "[ . 1 . 2]" 1
197 1 40 TYR QE 1 46 LYS HG3 5.130 . 5.640 3.196 2.704 3.744 . 0 0 "[ . 1 . 2]" 1
198 1 45 VAL MG1 1 46 LYS HB3 4.470 . 4.920 4.233 3.888 4.585 . 0 0 "[ . 1 . 2]" 1
199 1 45 VAL HA 1 45 VAL MG1 2.950 . 3.250 2.389 2.349 2.433 . 0 0 "[ . 1 . 2]" 1
200 1 43 ASP HB3 1 45 VAL MG2 3.520 . 3.870 2.454 2.193 3.885 0.015 17 0 "[ . 1 . 2]" 1
201 1 36 THR MG 1 48 GLN HG3 3.440 . 3.780 2.866 2.549 3.286 . 0 0 "[ . 1 . 2]" 1
202 1 36 THR HA 1 36 THR MG 3.580 . 3.940 2.403 2.360 2.439 . 0 0 "[ . 1 . 2]" 1
203 1 36 THR MG 1 48 GLN HG2 3.440 . 3.780 2.432 2.035 2.992 . 0 0 "[ . 1 . 2]" 1
204 1 36 THR MG 1 37 LEU HA 4.720 . 5.190 3.699 3.513 3.824 . 0 0 "[ . 1 . 2]" 1
205 1 35 TYR H 1 50 THR MG 4.310 . 4.740 3.252 2.891 3.606 . 0 0 "[ . 1 . 2]" 1
206 1 34 ASN HB2 1 50 THR MG 4.680 . 5.150 2.863 2.113 4.334 . 0 0 "[ . 1 . 2]" 1
207 1 105 LYS H 1 105 LYS HD2 5.020 . 5.520 3.551 3.111 3.838 . 0 0 "[ . 1 . 2]" 1
208 1 40 TYR QE 1 46 LYS HG2 5.130 . 5.640 4.531 4.232 4.917 . 0 0 "[ . 1 . 2]" 1
209 1 105 LYS HA 1 105 LYS HD2 3.850 . 4.230 2.074 1.958 2.225 . 0 0 "[ . 1 . 2]" 1
210 1 40 TYR QD 1 105 LYS HG2 5.500 . 6.050 4.809 4.392 5.492 . 0 0 "[ . 1 . 2]" 1
211 1 46 LYS HG2 1 47 LYS H 4.350 . 4.790 3.528 2.724 3.920 . 0 0 "[ . 1 . 2]" 1
212 1 23 THR H 1 23 THR MG 4.210 . 4.630 2.505 1.871 3.912 . 0 0 "[ . 1 . 2]" 1
213 1 24 ILE HA 1 24 ILE HG13 3.910 . 4.300 3.749 3.699 3.807 . 0 0 "[ . 1 . 2]" 1
214 1 24 ILE H 1 24 ILE HG13 4.220 . 4.640 3.980 3.683 4.258 . 0 0 "[ . 1 . 2]" 1
215 1 9 ILE HA 1 9 ILE HG13 3.950 . 4.350 3.273 2.382 3.793 . 0 0 "[ . 1 . 2]" 1
216 1 39 ALA MB 1 40 TYR QD 4.900 . 5.390 4.518 4.214 4.703 . 0 0 "[ . 1 . 2]" 1
217 1 39 ALA MB 1 48 GLN HA 5.030 . 5.530 4.086 3.644 4.777 . 0 0 "[ . 1 . 2]" 1
218 1 39 ALA MB 1 49 ILE HA 5.500 . 6.050 5.019 4.777 5.324 . 0 0 "[ . 1 . 2]" 1
219 1 14 TYR HB2 1 39 ALA MB 3.870 . 4.260 3.499 3.141 4.172 . 0 0 "[ . 1 . 2]" 1
220 1 14 TYR HB3 1 39 ALA MB 3.550 . 3.900 2.300 1.874 3.003 . 0 0 "[ . 1 . 2]" 1
221 1 39 ALA MB 1 49 ILE MG 4.240 . 4.660 3.999 3.689 4.228 . 0 0 "[ . 1 . 2]" 1
222 1 39 ALA MB 1 70 LEU MD1 4.520 . 4.970 3.504 3.150 3.900 . 0 0 "[ . 1 . 2]" 1
223 1 38 PRO HA 1 39 ALA MB 4.030 . 4.430 3.984 3.908 4.060 . 0 0 "[ . 1 . 2]" 1
224 1 26 LYS HA 1 26 LYS HG3 4.230 . 4.650 3.200 2.541 3.602 . 0 0 "[ . 1 . 2]" 1
225 1 26 LYS HG3 1 31 ASN HA 4.700 . 5.170 3.632 2.518 4.911 . 0 0 "[ . 1 . 2]" 1
226 1 24 ILE MG 1 26 LYS HG3 4.670 . 5.140 4.273 2.801 5.221 0.081 17 0 "[ . 1 . 2]" 1
227 1 107 THR HA 1 107 THR MG 3.290 . 3.620 2.895 2.363 3.233 . 0 0 "[ . 1 . 2]" 1
228 1 103 LYS HG3 1 106 PHE H 5.500 . 6.050 5.623 5.338 5.921 . 0 0 "[ . 1 . 2]" 1
229 1 105 LYS H 1 105 LYS HD3 5.020 . 5.520 4.366 3.955 4.606 . 0 0 "[ . 1 . 2]" 1
230 1 26 LYS HG2 1 32 LEU H 5.340 . 5.870 4.620 4.018 5.474 . 0 0 "[ . 1 . 2]" 1
231 1 68 LEU HG 1 90 TYR QD 5.500 . 6.050 4.849 4.540 5.644 . 0 0 "[ . 1 . 2]" 1
232 1 26 LYS HG2 1 27 VAL H 4.710 . 5.180 3.870 3.349 4.515 . 0 0 "[ . 1 . 2]" 1
233 1 24 ILE MG 1 26 LYS HG2 4.630 . 5.090 4.587 3.277 5.266 0.176 1 0 "[ . 1 . 2]" 1
234 1 26 LYS HA 1 26 LYS HG2 4.090 . 4.500 2.456 2.283 2.887 . 0 0 "[ . 1 . 2]" 1
235 1 26 LYS H 1 26 LYS HG2 4.470 . 4.920 4.157 3.482 4.520 . 0 0 "[ . 1 . 2]" 1
236 1 54 THR MG 1 90 TYR QE 3.910 . 4.300 2.994 2.087 4.203 . 0 0 "[ . 1 . 2]" 1
237 1 54 THR HA 1 54 THR MG 3.180 . 3.500 2.753 2.308 3.231 . 0 0 "[ . 1 . 2]" 1
238 1 54 THR MG 1 90 TYR QD 4.660 . 5.130 4.465 2.547 5.063 . 0 0 "[ . 1 . 2]" 1
239 1 47 LYS HG2 1 48 GLN H 5.160 . 5.680 4.711 4.159 5.047 . 0 0 "[ . 1 . 2]" 1
240 1 85 ILE H 1 85 ILE HG13 4.660 . 5.130 3.463 2.087 4.647 . 0 0 "[ . 1 . 2]" 1
241 1 68 LEU HA 1 93 ILE HG13 5.220 . 5.740 4.270 3.775 4.659 . 0 0 "[ . 1 . 2]" 1
242 1 47 LYS H 1 47 LYS HG2 5.500 . 6.050 3.302 2.615 4.193 . 0 0 "[ . 1 . 2]" 1
243 1 47 LYS H 1 47 LYS HG3 5.500 . 6.050 3.679 2.658 4.361 . 0 0 "[ . 1 . 2]" 1
244 1 67 PHE HB2 1 93 ILE HG13 3.870 . 4.260 2.570 1.990 3.213 . 0 0 "[ . 1 . 2]" 1
245 1 98 LEU QD 1 103 LYS HG2 5.280 . 5.810 4.923 4.579 5.258 . 0 0 "[ . 1 . 2]" 1
246 1 98 LEU HB3 1 103 LYS HG2 4.890 . 5.380 4.579 4.137 4.990 . 0 0 "[ . 1 . 2]" 1
247 1 103 LYS HA 1 103 LYS HG2 4.230 . 4.650 3.778 3.721 3.856 . 0 0 "[ . 1 . 2]" 1
248 1 94 GLN H 1 96 ALA MB 5.180 . 5.700 4.857 4.369 5.603 . 0 0 "[ . 1 . 2]" 1
249 1 95 LYS H 1 96 ALA MB 5.410 . 5.950 4.430 4.354 4.514 . 0 0 "[ . 1 . 2]" 1
250 1 96 ALA MB 1 97 ASP HB2 4.460 . 4.910 4.421 3.932 4.899 . 0 0 "[ . 1 . 2]" 1
251 1 96 ALA MB 1 97 ASP HA 4.600 . 5.060 3.955 3.784 4.136 . 0 0 "[ . 1 . 2]" 1
252 1 94 GLN HG2 1 96 ALA MB 4.410 . 4.850 2.815 2.273 3.710 . 0 0 "[ . 1 . 2]" 1
253 1 94 GLN HG3 1 96 ALA MB 4.600 . 5.060 2.616 1.967 3.262 . 0 0 "[ . 1 . 2]" 1
254 1 94 GLN HB2 1 96 ALA MB 3.980 . 4.380 3.886 3.626 4.263 . 0 0 "[ . 1 . 2]" 1
255 1 37 LEU MD2 1 38 PRO HD2 3.610 . 3.970 2.762 2.388 3.286 . 0 0 "[ . 1 . 2]" 1
256 1 96 ALA MB 1 98 LEU H 5.040 . 5.540 4.422 4.263 4.724 . 0 0 "[ . 1 . 2]" 1
257 1 47 LYS HB2 1 48 GLN H 4.310 . 4.740 3.750 3.386 4.334 . 0 0 "[ . 1 . 2]" 1
258 1 19 LYS H 1 37 LEU MD2 4.380 . 4.820 2.585 1.823 3.378 . 0 0 "[ . 1 . 2]" 1
259 1 37 LEU H 1 37 LEU MD2 4.810 . 5.290 3.916 3.754 4.047 . 0 0 "[ . 1 . 2]" 1
260 1 18 ILE MG 1 37 LEU MD1 4.550 . 5.010 2.731 2.246 3.100 . 0 0 "[ . 1 . 2]" 1
261 1 19 LYS H 1 37 LEU MD1 4.260 . 4.690 2.224 1.798 2.846 0.002 10 0 "[ . 1 . 2]" 1
262 1 13 VAL QG 1 69 ARG HB3 5.010 . 5.510 4.484 4.221 4.732 . 0 0 "[ . 1 . 2]" 1
263 1 69 ARG HB3 1 93 ILE MG 3.880 . 4.270 2.818 2.503 3.292 . 0 0 "[ . 1 . 2]" 1
264 1 69 ARG HB3 1 93 ILE MD 4.230 . 4.650 3.224 2.930 3.397 . 0 0 "[ . 1 . 2]" 1
265 1 15 TYR QE 1 69 ARG HB3 4.910 . 5.400 4.720 4.182 5.276 . 0 0 "[ . 1 . 2]" 1
266 1 69 ARG HB3 1 70 LEU H 5.150 . 5.670 4.311 4.195 4.394 . 0 0 "[ . 1 . 2]" 1
267 1 69 ARG HB3 1 91 GLU H 5.500 . 6.050 3.268 2.939 3.586 . 0 0 "[ . 1 . 2]" 1
268 1 39 ALA MB 1 49 ILE HB 3.850 . 4.230 3.142 2.783 3.405 . 0 0 "[ . 1 . 2]" 1
269 1 49 ILE HB 1 87 VAL QG 4.820 . 5.300 4.336 3.785 4.796 . 0 0 "[ . 1 . 2]" 1
270 1 9 ILE HG12 1 10 GLY H 5.380 . 5.920 4.763 4.268 5.157 . 0 0 "[ . 1 . 2]" 1
271 1 24 ILE HA 1 24 ILE HG12 3.730 . 4.100 3.084 2.978 3.180 . 0 0 "[ . 1 . 2]" 1
272 1 85 ILE H 1 85 ILE HG12 4.660 . 5.130 3.236 1.963 4.849 . 0 0 "[ . 1 . 2]" 1
273 1 24 ILE HG12 1 25 GLU H 5.180 . 5.700 5.136 5.022 5.235 . 0 0 "[ . 1 . 2]" 1
274 1 88 LYS HA 1 88 LYS HG3 4.220 . 4.640 3.739 3.599 3.826 . 0 0 "[ . 1 . 2]" 1
275 1 88 LYS HG3 1 89 SER H 4.960 . 5.460 2.607 2.209 3.076 . 0 0 "[ . 1 . 2]" 1
276 1 108 ILE HA 1 108 ILE HG12 3.810 . 4.190 3.009 2.545 3.248 . 0 0 "[ . 1 . 2]" 1
277 1 108 ILE H 1 108 ILE HG12 4.440 . 4.880 3.016 2.731 3.673 . 0 0 "[ . 1 . 2]" 1
278 1 101 LYS HA 1 101 LYS HG3 3.860 . 4.250 3.765 3.682 3.893 . 0 0 "[ . 1 . 2]" 1
279 1 101 LYS H 1 101 LYS HG3 3.740 . 4.110 3.768 3.333 4.154 0.044 7 0 "[ . 1 . 2]" 1
280 1 103 LYS H 1 103 LYS HD3 4.770 . 5.250 4.784 4.700 4.884 . 0 0 "[ . 1 . 2]" 1
281 1 72 VAL HA 1 88 LYS HG2 5.000 . 5.500 3.110 2.136 4.776 . 0 0 "[ . 1 . 2]" 1
282 1 32 LEU HB2 1 32 LEU HG 2.550 . 2.800 2.454 2.435 2.488 . 0 0 "[ . 1 . 2]" 1
283 1 26 LYS HA 1 26 LYS HD2 5.500 . 6.050 3.968 3.127 4.648 . 0 0 "[ . 1 . 2]" 1
284 1 26 LYS HA 1 26 LYS HD3 5.500 . 6.050 4.585 4.108 4.808 . 0 0 "[ . 1 . 2]" 1
285 1 103 LYS HA 1 103 LYS HD3 4.920 . 5.410 4.814 4.748 4.918 . 0 0 "[ . 1 . 2]" 1
286 1 32 LEU HB2 1 32 LEU MD1 3.400 . 3.740 2.365 2.337 2.395 . 0 0 "[ . 1 . 2]" 1
287 1 13 VAL HB 1 15 TYR QE 4.650 . 5.120 3.804 3.342 4.429 . 0 0 "[ . 1 . 2]" 1
288 1 13 VAL HB 1 71 TYR QD 5.500 . 6.050 5.554 4.684 6.018 . 0 0 "[ . 1 . 2]" 1
289 1 33 ARG HB2 1 34 ASN H 5.080 . 5.590 4.045 3.135 4.504 . 0 0 "[ . 1 . 2]" 1
290 1 33 ARG HB3 1 34 ASN H 5.080 . 5.590 3.962 3.266 4.428 . 0 0 "[ . 1 . 2]" 1
291 1 13 VAL HB 1 42 GLU HA 5.500 . 6.050 5.257 4.095 6.082 0.032 11 0 "[ . 1 . 2]" 1
292 1 18 ILE MD 1 62 LEU HG 4.930 . 5.420 4.807 4.148 5.442 0.022 11 0 "[ . 1 . 2]" 1
293 1 13 VAL HB 1 42 GLU H 4.590 . 5.050 4.476 3.698 5.128 0.078 17 0 "[ . 1 . 2]" 1
294 1 51 PHE HE2 1 62 LEU HG 5.340 . 5.870 4.834 3.817 5.882 0.012 11 0 "[ . 1 . 2]" 1
295 1 101 LYS HB2 1 102 VAL QG 3.590 . 3.950 3.231 2.663 3.618 . 0 0 "[ . 1 . 2]" 1
296 1 100 GLU HA 1 103 LYS HB3 4.390 . 4.830 4.212 3.520 4.502 . 0 0 "[ . 1 . 2]" 1
297 1 103 LYS H 1 103 LYS HB3 3.150 . 3.470 2.622 2.510 2.785 . 0 0 "[ . 1 . 2]" 1
298 1 95 LYS H 1 95 LYS HD2 5.500 . 6.050 5.101 4.737 5.968 . 0 0 "[ . 1 . 2]" 1
299 1 95 LYS H 1 95 LYS HD3 5.500 . 6.050 5.372 4.757 6.008 . 0 0 "[ . 1 . 2]" 1
300 1 13 VAL QG 1 69 ARG HB2 5.010 . 5.510 4.349 3.928 4.750 . 0 0 "[ . 1 . 2]" 1
301 1 69 ARG HB2 1 91 GLU H 5.500 . 6.050 4.680 4.327 5.021 . 0 0 "[ . 1 . 2]" 1
302 1 24 ILE HB 1 25 GLU H 4.340 . 4.770 4.262 4.007 4.406 . 0 0 "[ . 1 . 2]" 1
303 1 15 TYR QE 1 69 ARG HB2 4.910 . 5.400 3.344 2.565 4.143 . 0 0 "[ . 1 . 2]" 1
304 1 23 THR HA 1 24 ILE HB 5.150 . 5.670 4.663 4.517 4.813 . 0 0 "[ . 1 . 2]" 1
305 1 24 ILE HB 1 25 GLU HA 5.500 . 6.050 4.804 4.603 4.955 . 0 0 "[ . 1 . 2]" 1
306 1 16 MET HA 1 16 MET ME 4.560 . 5.020 4.073 3.890 4.463 . 0 0 "[ . 1 . 2]" 1
307 1 16 MET ME 1 39 ALA HA 5.080 . 5.590 4.194 3.651 5.228 . 0 0 "[ . 1 . 2]" 1
308 1 16 MET ME 1 37 LEU H 4.050 . 4.460 3.477 3.085 4.290 . 0 0 "[ . 1 . 2]" 1
309 1 16 MET ME 1 49 ILE HB 2.990 . 3.290 2.177 1.898 3.169 . 0 0 "[ . 1 . 2]" 1
310 1 16 MET ME 1 70 LEU MD2 3.130 . 3.440 1.938 1.780 2.200 0.020 15 0 "[ . 1 . 2]" 1
311 1 16 MET ME 1 49 ILE MG 3.100 . 3.410 2.653 2.404 3.251 . 0 0 "[ . 1 . 2]" 1
312 1 16 MET ME 1 39 ALA MB 3.330 . 3.660 2.447 2.052 3.679 0.019 18 0 "[ . 1 . 2]" 1
313 1 16 MET ME 1 51 PHE HD1 3.750 . 4.130 2.507 2.203 2.900 . 0 0 "[ . 1 . 2]" 1
314 1 16 MET HB3 1 16 MET ME 3.030 . 3.330 2.694 2.053 2.980 . 0 0 "[ . 1 . 2]" 1
315 1 16 MET ME 1 51 PHE HE1 4.090 . 4.500 2.871 2.139 3.496 . 0 0 "[ . 1 . 2]" 1
316 1 16 MET ME 1 49 ILE HA 4.900 . 5.390 4.501 4.140 5.425 0.035 12 0 "[ . 1 . 2]" 1
317 1 16 MET ME 1 90 TYR HB2 5.500 . 6.050 5.925 5.028 6.135 0.085 14 0 "[ . 1 . 2]" 1
318 1 16 MET ME 1 90 TYR HB3 5.500 . 6.050 5.788 4.918 6.116 0.066 2 0 "[ . 1 . 2]" 1
319 1 46 LYS HB2 1 47 LYS H 5.060 . 5.570 4.375 4.063 4.498 . 0 0 "[ . 1 . 2]" 1
320 1 46 LYS HB3 1 47 LYS H 5.370 . 5.910 4.312 3.971 4.450 . 0 0 "[ . 1 . 2]" 1
321 1 40 TYR QD 1 46 LYS HB2 4.500 . 4.950 3.413 2.941 3.750 . 0 0 "[ . 1 . 2]" 1
322 1 8 ARG HA 1 9 ILE HB 5.500 . 6.050 5.493 4.701 5.966 . 0 0 "[ . 1 . 2]" 1
323 1 27 VAL H 1 30 ARG HB2 4.820 . 5.300 3.700 3.159 4.353 . 0 0 "[ . 1 . 2]" 1
324 1 30 ARG HB2 1 32 LEU MD1 4.100 . 4.510 3.752 3.082 4.546 0.036 1 0 "[ . 1 . 2]" 1
325 1 25 GLU H 1 25 GLU HB2 4.050 . 4.460 3.030 2.842 3.246 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLU HB3 1 22 GLY H 4.830 . 5.310 3.488 1.893 4.501 . 0 0 "[ . 1 . 2]" 1
327 1 107 THR HA 1 108 ILE HB 4.780 . 5.260 4.538 4.387 4.813 . 0 0 "[ . 1 . 2]" 1
328 1 108 ILE H 1 108 ILE HB 3.750 . 4.130 3.670 3.611 3.745 . 0 0 "[ . 1 . 2]" 1
329 1 27 VAL H 1 27 VAL HB 3.810 . 4.190 2.629 2.539 2.767 . 0 0 "[ . 1 . 2]" 1
330 1 26 LYS HA 1 27 VAL HB 4.870 . 5.360 4.739 4.660 4.879 . 0 0 "[ . 1 . 2]" 1
331 1 94 GLN HB2 1 95 LYS H 3.490 . 3.840 2.324 2.138 2.512 . 0 0 "[ . 1 . 2]" 1
332 1 11 LYS HB3 1 11 LYS HE2 5.260 . 5.790 4.517 4.275 4.844 . 0 0 "[ . 1 . 2]" 1
333 1 11 LYS HB3 1 11 LYS HE3 5.260 . 5.790 4.592 3.530 4.854 . 0 0 "[ . 1 . 2]" 1
334 1 48 GLN HA 1 48 GLN HG3 4.220 . 4.640 2.505 2.426 2.584 . 0 0 "[ . 1 . 2]" 1
335 1 48 GLN H 1 48 GLN HG3 4.760 . 5.240 4.676 4.564 4.801 . 0 0 "[ . 1 . 2]" 1
336 1 85 ILE H 1 85 ILE HB 4.050 . 4.460 3.090 2.492 3.766 . 0 0 "[ . 1 . 2]" 1
337 1 18 ILE HB 1 66 ALA MB 4.710 . 5.180 3.322 2.610 4.645 . 0 0 "[ . 1 . 2]" 1
338 1 68 LEU QD 1 92 GLU HB3 4.360 . 4.800 3.875 3.661 4.106 . 0 0 "[ . 1 . 2]" 1
339 1 16 MET HB3 1 39 ALA MB 4.320 . 4.750 3.646 3.288 4.303 . 0 0 "[ . 1 . 2]" 1
340 1 99 PRO HA 1 100 GLU HB3 5.090 . 5.600 5.005 4.885 5.126 . 0 0 "[ . 1 . 2]" 1
341 1 25 GLU HG3 1 27 VAL MG2 3.810 . 4.190 3.726 3.294 4.255 0.065 8 0 "[ . 1 . 2]" 1
342 1 25 GLU H 1 25 GLU HG3 5.010 . 5.510 4.675 4.616 4.754 . 0 0 "[ . 1 . 2]" 1
343 1 99 PRO HA 1 100 GLU HB2 4.620 . 5.080 4.464 4.222 4.608 . 0 0 "[ . 1 . 2]" 1
344 1 14 TYR QD 1 72 VAL HB 5.490 . 6.040 3.898 2.946 4.579 . 0 0 "[ . 1 . 2]" 1
345 1 14 TYR QE 1 72 VAL HB 5.500 . 6.050 3.630 2.236 5.219 . 0 0 "[ . 1 . 2]" 1
346 1 72 VAL HB 1 73 ASP H 4.240 . 4.660 4.038 3.914 4.177 . 0 0 "[ . 1 . 2]" 1
347 1 72 VAL HB 1 88 LYS H 5.250 . 5.780 4.377 3.328 5.324 . 0 0 "[ . 1 . 2]" 1
348 1 25 GLU H 1 25 GLU HG2 5.010 . 5.510 4.462 4.332 4.572 . 0 0 "[ . 1 . 2]" 1
349 1 25 GLU HA 1 25 GLU HG2 4.080 . 4.490 3.199 3.044 3.322 . 0 0 "[ . 1 . 2]" 1
350 1 25 GLU HG2 1 27 VAL MG2 3.810 . 4.190 2.336 1.930 2.858 . 0 0 "[ . 1 . 2]" 1
351 1 68 LEU QD 1 92 GLU HB2 4.360 . 4.800 2.731 2.431 3.145 . 0 0 "[ . 1 . 2]" 1
352 1 48 GLN HA 1 48 GLN HG2 4.220 . 4.640 3.165 3.047 3.305 . 0 0 "[ . 1 . 2]" 1
353 1 48 GLN HG2 1 49 ILE H 4.480 . 4.930 3.397 3.103 3.792 . 0 0 "[ . 1 . 2]" 1
354 1 14 TYR HB2 1 70 LEU MD2 5.220 . 5.740 3.192 2.488 3.804 . 0 0 "[ . 1 . 2]" 1
355 1 14 TYR HB2 1 87 VAL QG 4.650 . 5.120 3.974 3.345 4.637 . 0 0 "[ . 1 . 2]" 1
356 1 15 TYR QD 1 99 PRO HD2 5.140 . 5.650 3.737 3.555 3.915 . 0 0 "[ . 1 . 2]" 1
357 1 98 LEU HB3 1 99 PRO HD2 4.500 . 4.950 3.061 2.316 3.563 . 0 0 "[ . 1 . 2]" 1
358 1 37 LEU MD2 1 38 PRO HG3 4.840 . 5.320 4.675 4.355 5.035 . 0 0 "[ . 1 . 2]" 1
359 1 38 PRO HB3 1 48 GLN HA 4.790 . 5.270 4.179 3.921 4.632 . 0 0 "[ . 1 . 2]" 1
360 1 37 LEU HA 1 38 PRO HG3 4.670 . 5.140 4.422 3.839 4.602 . 0 0 "[ . 1 . 2]" 1
361 1 38 PRO HG3 1 39 ALA H 5.500 . 6.050 5.516 5.074 5.707 . 0 0 "[ . 1 . 2]" 1
362 1 21 GLU HA 1 21 GLU HG3 4.140 . 4.550 3.410 2.505 3.866 . 0 0 "[ . 1 . 2]" 1
363 1 21 GLU H 1 21 GLU HG3 4.580 . 5.040 3.640 2.364 5.044 0.004 1 0 "[ . 1 . 2]" 1
364 1 42 GLU H 1 42 GLU HG2 4.650 . 5.120 3.472 1.961 4.555 . 0 0 "[ . 1 . 2]" 1
365 1 42 GLU HG2 1 43 ASP H 5.170 . 5.690 3.771 2.367 5.140 . 0 0 "[ . 1 . 2]" 1
366 1 100 GLU HG2 1 103 LYS HG3 5.310 . 5.840 4.680 4.107 5.470 . 0 0 "[ . 1 . 2]" 1
367 1 100 GLU HG3 1 103 LYS HG3 5.500 . 6.050 4.136 3.127 4.809 . 0 0 "[ . 1 . 2]" 1
368 1 100 GLU HB2 1 100 GLU HG3 2.810 . 3.090 2.506 2.379 2.561 . 0 0 "[ . 1 . 2]" 1
369 1 100 GLU HG3 1 103 LYS HD3 4.130 . 4.540 4.371 3.418 4.643 0.103 1 0 "[ . 1 . 2]" 1
370 1 21 GLU HA 1 21 GLU HG2 4.140 . 4.550 3.005 2.343 4.195 . 0 0 "[ . 1 . 2]" 1
371 1 100 GLU HG2 1 101 LYS HA 4.700 . 5.170 4.065 3.477 4.724 . 0 0 "[ . 1 . 2]" 1
372 1 21 GLU H 1 21 GLU HG2 4.580 . 5.040 3.418 2.005 5.034 . 0 0 "[ . 1 . 2]" 1
373 1 14 TYR QE 1 41 ASP HB3 5.500 . 6.050 3.692 2.404 5.332 . 0 0 "[ . 1 . 2]" 1
374 1 14 TYR QD 1 41 ASP HB3 5.500 . 6.050 3.805 2.205 5.547 . 0 0 "[ . 1 . 2]" 1
375 1 38 PRO HG2 1 39 ALA H 5.500 . 6.050 4.945 4.690 5.520 . 0 0 "[ . 1 . 2]" 1
376 1 37 LEU MD2 1 38 PRO HG2 4.840 . 5.320 4.570 4.219 4.907 . 0 0 "[ . 1 . 2]" 1
377 1 37 LEU HA 1 38 PRO HG2 4.670 . 5.140 4.588 4.470 4.701 . 0 0 "[ . 1 . 2]" 1
378 1 92 GLU HA 1 92 GLU HG3 3.950 . 4.350 2.586 2.473 2.734 . 0 0 "[ . 1 . 2]" 1
379 1 66 ALA MB 1 92 GLU HG3 4.480 . 4.930 3.002 2.329 4.284 . 0 0 "[ . 1 . 2]" 1
380 1 92 GLU HG3 1 93 ILE MG 5.500 . 6.050 5.532 5.354 5.812 . 0 0 "[ . 1 . 2]" 1
381 1 92 GLU HG3 1 93 ILE HG12 5.500 . 6.050 5.546 5.075 5.853 . 0 0 "[ . 1 . 2]" 1
382 1 92 GLU H 1 92 GLU HG3 4.820 . 5.300 4.575 4.489 4.631 . 0 0 "[ . 1 . 2]" 1
383 1 68 LEU QD 1 92 GLU HG3 3.930 . 4.320 2.630 2.311 2.966 . 0 0 "[ . 1 . 2]" 1
384 1 42 GLU HG3 1 43 ASP H 5.170 . 5.690 4.197 2.120 5.376 . 0 0 "[ . 1 . 2]" 1
385 1 42 GLU H 1 42 GLU HG3 4.650 . 5.120 3.886 2.150 4.604 . 0 0 "[ . 1 . 2]" 1
386 1 93 ILE HB 1 97 ASP HB2 3.840 . 4.220 2.485 1.975 3.485 . 0 0 "[ . 1 . 2]" 1
387 1 93 ILE HB 1 97 ASP HB3 4.080 . 4.490 2.707 2.104 3.479 . 0 0 "[ . 1 . 2]" 1
388 1 34 ASN HB3 1 35 TYR H 4.650 . 5.120 3.753 2.790 4.237 . 0 0 "[ . 1 . 2]" 1
389 1 34 ASN HB3 1 50 THR MG 4.680 . 5.150 3.578 2.118 4.387 . 0 0 "[ . 1 . 2]" 1
390 1 91 GLU HG3 1 92 GLU H 5.280 . 5.810 2.979 2.150 5.047 . 0 0 "[ . 1 . 2]" 1
391 1 73 ASP HB3 1 74 GLN H 4.760 . 5.240 3.914 2.596 4.407 . 0 0 "[ . 1 . 2]" 1
392 1 94 GLN HB3 1 97 ASP H 5.060 . 5.570 5.053 4.632 5.586 0.016 4 0 "[ . 1 . 2]" 1
393 1 73 ASP HB3 1 88 LYS HG2 4.570 . 5.030 4.110 2.461 5.079 0.049 2 0 "[ . 1 . 2]" 1
394 1 94 GLN HB3 1 96 ALA H 4.650 . 5.120 4.446 4.296 4.630 . 0 0 "[ . 1 . 2]" 1
395 1 94 GLN HB3 1 96 ALA MB 4.980 . 5.480 4.734 4.497 5.059 . 0 0 "[ . 1 . 2]" 1
396 1 94 GLN H 1 94 GLN HB3 3.840 . 4.220 3.004 2.714 3.290 . 0 0 "[ . 1 . 2]" 1
397 1 31 ASN HB3 1 32 LEU H 4.730 . 5.200 4.082 3.662 4.436 . 0 0 "[ . 1 . 2]" 1
398 1 94 GLN HG2 1 96 ALA H 4.480 . 4.930 2.987 1.924 4.032 . 0 0 "[ . 1 . 2]" 1
399 1 94 GLN HA 1 94 GLN HG2 3.670 . 4.040 3.722 3.681 3.757 . 0 0 "[ . 1 . 2]" 1
400 1 93 ILE MG 1 94 GLN HG2 5.500 . 6.050 5.263 4.638 6.089 0.039 18 0 "[ . 1 . 2]" 1
401 1 93 ILE MD 1 94 GLN HG2 5.500 . 6.050 5.262 4.772 5.843 . 0 0 "[ . 1 . 2]" 1
402 1 101 LYS HB3 1 104 ASP HB2 5.010 . 5.510 4.922 4.001 5.597 0.087 13 0 "[ . 1 . 2]" 1
403 1 101 LYS HA 1 104 ASP HB2 4.240 . 4.660 3.244 2.388 3.854 . 0 0 "[ . 1 . 2]" 1
404 1 76 ASP H 1 76 ASP HB3 3.980 . 4.380 3.291 2.370 4.075 . 0 0 "[ . 1 . 2]" 1
405 1 68 LEU QD 1 92 GLU HG2 3.930 . 4.320 3.795 3.525 3.992 . 0 0 "[ . 1 . 2]" 1
406 1 92 GLU HG2 1 93 ILE MG 5.500 . 6.050 5.027 4.673 5.367 . 0 0 "[ . 1 . 2]" 1
407 1 92 GLU HG2 1 93 ILE HG12 5.500 . 6.050 5.499 5.101 5.760 . 0 0 "[ . 1 . 2]" 1
408 1 92 GLU HA 1 92 GLU HG2 3.950 . 4.350 3.081 2.936 3.185 . 0 0 "[ . 1 . 2]" 1
409 1 66 ALA MB 1 92 GLU HG2 4.480 . 4.930 3.825 2.977 4.871 . 0 0 "[ . 1 . 2]" 1
410 1 27 VAL MG1 1 28 ASP HB2 3.600 . 3.960 3.200 2.791 3.688 . 0 0 "[ . 1 . 2]" 1
411 1 67 PHE HB3 1 93 ILE HG13 4.170 . 4.590 2.941 2.373 3.355 . 0 0 "[ . 1 . 2]" 1
412 1 67 PHE HB3 1 93 ILE HG12 4.160 . 4.580 3.659 3.316 4.064 . 0 0 "[ . 1 . 2]" 1
413 1 67 PHE HB3 1 98 LEU QD 4.360 . 4.800 2.485 2.099 3.073 . 0 0 "[ . 1 . 2]" 1
414 1 14 TYR HB3 1 40 TYR HA 5.210 . 5.730 5.185 4.700 5.483 . 0 0 "[ . 1 . 2]" 1
415 1 14 TYR HB3 1 40 TYR H 4.090 . 4.500 4.060 3.442 4.518 0.018 10 0 "[ . 1 . 2]" 1
416 1 12 ASP HB2 1 13 VAL H 4.700 . 5.170 4.183 3.706 4.481 . 0 0 "[ . 1 . 2]" 1
417 1 105 LYS HB2 1 106 PHE QB 4.660 . 5.130 4.575 4.328 4.774 . 0 0 "[ . 1 . 2]" 1
418 1 73 ASP HB2 1 88 LYS HG2 4.570 . 5.030 3.629 2.408 5.202 0.172 3 0 "[ . 1 . 2]" 1
419 1 73 ASP HB2 1 74 GLN H 4.760 . 5.240 4.060 2.929 4.575 . 0 0 "[ . 1 . 2]" 1
420 1 70 LEU MD2 1 90 TYR HB2 5.200 . 5.720 4.417 4.017 4.743 . 0 0 "[ . 1 . 2]" 1
421 1 70 LEU MD2 1 90 TYR HB3 5.430 . 5.970 3.893 3.486 4.320 . 0 0 "[ . 1 . 2]" 1
422 1 105 LYS HE2 1 105 LYS HG3 4.020 . 4.420 2.489 2.380 2.578 . 0 0 "[ . 1 . 2]" 1
423 1 24 ILE MG 1 31 ASN HB2 3.840 . 4.220 2.921 1.925 3.827 . 0 0 "[ . 1 . 2]" 1
424 1 31 ASN HB2 1 32 LEU H 4.730 . 5.200 4.112 3.671 4.475 . 0 0 "[ . 1 . 2]" 1
425 1 94 GLN HG3 1 97 ASP HB2 5.500 . 6.050 4.519 2.999 5.881 . 0 0 "[ . 1 . 2]" 1
426 1 43 ASP HB2 1 45 VAL MG2 3.520 . 3.870 3.709 2.313 3.966 0.096 16 0 "[ . 1 . 2]" 1
427 1 43 ASP HB2 1 44 GLY H 4.280 . 4.710 4.054 3.032 4.400 . 0 0 "[ . 1 . 2]" 1
428 1 103 LYS HE2 1 103 LYS HG2 3.550 . 3.900 3.186 2.414 3.835 . 0 0 "[ . 1 . 2]" 1
429 1 103 LYS HE3 1 103 LYS HG2 3.550 . 3.900 2.838 2.463 3.677 . 0 0 "[ . 1 . 2]" 1
430 1 26 LYS HB3 1 26 LYS HE2 3.630 . 3.990 3.324 1.850 4.008 0.018 15 0 "[ . 1 . 2]" 1
431 1 26 LYS HB3 1 26 LYS HE3 3.630 . 3.990 2.737 1.809 3.838 . 0 0 "[ . 1 . 2]" 1
432 1 105 LYS HE3 1 105 LYS HG3 4.020 . 4.420 3.124 3.036 3.234 . 0 0 "[ . 1 . 2]" 1
433 1 71 TYR HB3 1 89 SER H 4.600 . 5.060 4.685 4.200 4.960 . 0 0 "[ . 1 . 2]" 1
434 1 71 TYR H 1 71 TYR HB3 4.190 . 4.610 3.758 3.684 3.843 . 0 0 "[ . 1 . 2]" 1
435 1 40 TYR HB3 1 102 VAL QG 3.680 . 4.050 2.770 2.356 3.160 . 0 0 "[ . 1 . 2]" 1
436 1 15 TYR HB2 1 40 TYR HB3 4.970 . 5.470 4.690 4.221 5.070 . 0 0 "[ . 1 . 2]" 1
437 1 13 VAL QG 1 69 ARG HD3 3.900 . 4.290 3.151 2.234 4.196 . 0 0 "[ . 1 . 2]" 1
438 1 15 TYR QE 1 69 ARG HD3 4.140 . 4.550 3.506 1.866 4.493 . 0 0 "[ . 1 . 2]" 1
439 1 101 LYS HA 1 101 LYS HE2 5.220 . 5.740 3.462 2.732 4.418 . 0 0 "[ . 1 . 2]" 1
440 1 101 LYS HA 1 101 LYS HE3 5.220 . 5.740 3.218 2.141 4.362 . 0 0 "[ . 1 . 2]" 1
441 1 15 TYR HB3 1 93 ILE MD 4.040 . 4.440 3.511 2.896 4.082 . 0 0 "[ . 1 . 2]" 1
442 1 14 TYR QE 1 41 ASP HB2 5.500 . 6.050 4.277 2.710 5.460 . 0 0 "[ . 1 . 2]" 1
443 1 14 TYR QD 1 41 ASP HB2 5.500 . 6.050 4.375 3.361 5.585 . 0 0 "[ . 1 . 2]" 1
444 1 41 ASP H 1 41 ASP HB2 3.920 . 4.310 3.234 2.242 3.667 . 0 0 "[ . 1 . 2]" 1
445 1 52 ARG HD2 1 53 SER H 5.500 . 6.050 5.201 4.151 6.145 0.095 2 0 "[ . 1 . 2]" 1
446 1 52 ARG HD3 1 53 SER H 5.500 . 6.050 5.339 3.166 6.215 0.165 2 0 "[ . 1 . 2]" 1
447 1 95 LYS HA 1 98 LEU QD . . 3.780 2.323 1.984 3.370 . 0 0 "[ . 1 . 2]" 1
448 1 95 LYS HA 1 95 LYS HG2 3.870 . 4.260 3.098 2.852 3.252 . 0 0 "[ . 1 . 2]" 1
449 1 95 LYS HA 1 95 LYS HG3 3.870 . 4.260 2.582 2.482 2.669 . 0 0 "[ . 1 . 2]" 1
450 1 95 LYS HA 1 98 LEU HG 3.540 . 3.890 2.506 2.071 3.451 . 0 0 "[ . 1 . 2]" 1
451 1 95 LYS HA 1 97 ASP H 4.460 . 4.910 3.991 3.503 4.410 . 0 0 "[ . 1 . 2]" 1
452 1 67 PHE QD 1 95 LYS HA 5.310 . 5.840 3.868 2.565 4.574 . 0 0 "[ . 1 . 2]" 1
453 1 98 LEU HB3 1 99 PRO HD3 4.500 . 4.950 4.415 3.794 4.788 . 0 0 "[ . 1 . 2]" 1
454 1 15 TYR QD 1 99 PRO HD3 5.140 . 5.650 4.450 3.969 4.851 . 0 0 "[ . 1 . 2]" 1
455 1 3 ARG HA 1 3 ARG HD2 5.390 . 5.930 3.688 1.992 4.991 . 0 0 "[ . 1 . 2]" 1
456 1 3 ARG HA 1 3 ARG HD3 5.390 . 5.930 3.791 1.971 4.972 . 0 0 "[ . 1 . 2]" 1
457 1 40 TYR QD 1 44 GLY HA3 4.730 . 5.200 3.994 3.232 4.456 . 0 0 "[ . 1 . 2]" 1
458 1 44 GLY HA3 1 45 VAL MG2 5.110 . 5.620 4.502 4.316 4.729 . 0 0 "[ . 1 . 2]" 1
459 1 44 GLY HA3 1 101 LYS HB3 5.440 . 5.980 3.318 2.576 4.356 . 0 0 "[ . 1 . 2]" 1
460 1 44 GLY HA3 1 101 LYS HB2 5.500 . 6.050 4.013 3.347 5.143 . 0 0 "[ . 1 . 2]" 1
461 1 44 GLY HA3 1 102 VAL HA 4.830 . 5.310 3.749 3.073 4.353 . 0 0 "[ . 1 . 2]" 1
462 1 44 GLY HA3 1 102 VAL QG 4.330 . 4.760 3.645 3.137 4.207 . 0 0 "[ . 1 . 2]" 1
463 1 40 TYR HB2 1 44 GLY HA3 4.730 . 5.200 5.154 4.573 5.755 0.555 16 1 "[ . 1 .+ 2]" 1
464 1 40 TYR HB3 1 44 GLY HA3 4.290 . 4.720 3.720 3.029 4.276 . 0 0 "[ . 1 . 2]" 1
465 1 67 PHE QD 1 106 PHE QB 5.500 . 6.050 4.668 3.962 5.234 . 0 0 "[ . 1 . 2]" 1
466 1 98 LEU QD 1 106 PHE QB 5.500 . 6.050 3.268 2.803 3.855 . 0 0 "[ . 1 . 2]" 1
467 1 28 ASP HB3 1 29 GLY HA3 5.120 . 5.630 4.965 4.805 5.146 . 0 0 "[ . 1 . 2]" 1
468 1 106 PHE QB 1 108 ILE MD 5.320 . 5.850 5.177 4.799 5.423 . 0 0 "[ . 1 . 2]" 1
469 1 26 LYS HD2 1 29 GLY HA3 5.210 . 5.730 4.310 4.030 5.145 . 0 0 "[ . 1 . 2]" 1
470 1 26 LYS HD3 1 29 GLY HA3 5.210 . 5.730 4.491 3.274 5.811 0.081 13 0 "[ . 1 . 2]" 1
471 1 102 VAL HA 1 105 LYS HG3 4.520 . 4.970 3.156 2.441 3.838 . 0 0 "[ . 1 . 2]" 1
472 1 102 VAL HA 1 105 LYS HG2 3.860 . 4.250 3.033 2.602 3.651 . 0 0 "[ . 1 . 2]" 1
473 1 103 LYS HA 1 105 LYS HB2 5.500 . 6.050 5.184 4.989 5.523 . 0 0 "[ . 1 . 2]" 1
474 1 101 LYS HA 1 102 VAL HA 4.930 . 5.420 4.810 4.751 4.891 . 0 0 "[ . 1 . 2]" 1
475 1 103 LYS HA 1 106 PHE HD2 4.270 . 4.700 3.038 2.580 3.543 . 0 0 "[ . 1 . 2]" 1
476 1 98 LEU HB2 1 103 LYS HA 4.470 . 4.920 3.662 2.923 4.331 . 0 0 "[ . 1 . 2]" 1
477 1 103 LYS HA 1 103 LYS HG3 3.740 . 4.110 3.754 3.711 3.796 . 0 0 "[ . 1 . 2]" 1
478 1 18 ILE HA 1 37 LEU MD1 3.540 . 3.890 1.937 1.728 2.248 0.072 6 0 "[ . 1 . 2]" 1
479 1 84 SER H 1 84 SER HB3 4.070 . 4.480 3.264 2.488 3.961 . 0 0 "[ . 1 . 2]" 1
480 1 100 GLU HA 1 101 LYS HA 5.050 . 5.560 4.689 4.442 4.952 . 0 0 "[ . 1 . 2]" 1
481 1 100 GLU HA 1 103 LYS HG2 4.080 . 4.490 2.170 1.799 2.506 0.001 13 0 "[ . 1 . 2]" 1
482 1 100 GLU HA 1 103 LYS HD2 3.470 . 3.820 2.376 1.947 2.784 . 0 0 "[ . 1 . 2]" 1
483 1 100 GLU HA 1 102 VAL H 4.760 . 5.240 4.569 4.255 4.929 . 0 0 "[ . 1 . 2]" 1
484 1 100 GLU HA 1 103 LYS HD3 3.720 . 4.090 3.844 3.612 4.019 . 0 0 "[ . 1 . 2]" 1
485 1 100 GLU HA 1 100 GLU HG3 3.620 . 3.980 2.462 2.369 2.632 . 0 0 "[ . 1 . 2]" 1
486 1 100 GLU HA 1 103 LYS HG3 4.330 . 4.760 3.247 2.468 3.798 . 0 0 "[ . 1 . 2]" 1
487 1 100 GLU HA 1 103 LYS H 4.160 . 4.580 3.796 3.342 4.180 . 0 0 "[ . 1 . 2]" 1
488 1 99 PRO HA 1 100 GLU HA 4.560 . 5.020 4.221 4.148 4.313 . 0 0 "[ . 1 . 2]" 1
489 1 98 LEU HA 1 99 PRO HD2 3.670 . 4.040 2.012 1.847 2.285 . 0 0 "[ . 1 . 2]" 1
490 1 98 LEU HA 1 102 VAL HB 4.370 . 4.810 3.722 3.331 4.254 . 0 0 "[ . 1 . 2]" 1
491 1 98 LEU HA 1 99 PRO HD3 3.670 . 4.040 2.593 2.247 2.757 . 0 0 "[ . 1 . 2]" 1
492 1 37 LEU HA 1 38 PRO HD2 3.570 . 3.930 2.580 2.324 3.010 . 0 0 "[ . 1 . 2]" 1
493 1 37 LEU HB2 1 38 PRO HD2 3.790 . 4.170 3.792 3.628 4.193 0.023 5 0 "[ . 1 . 2]" 1
494 1 37 LEU HB3 1 38 PRO HD2 4.250 . 4.680 2.221 2.047 2.626 . 0 0 "[ . 1 . 2]" 1
495 1 45 VAL HA 1 46 LYS HB2 5.000 . 5.500 4.473 4.331 4.587 . 0 0 "[ . 1 . 2]" 1
496 1 45 VAL HA 1 46 LYS HB3 5.470 . 6.020 4.726 4.606 4.805 . 0 0 "[ . 1 . 2]" 1
497 1 10 GLY HA2 1 11 LYS HA 5.380 . 5.920 4.565 4.457 4.745 . 0 0 "[ . 1 . 2]" 1
498 1 10 GLY HA3 1 11 LYS HA 5.500 . 6.050 4.385 4.292 4.444 . 0 0 "[ . 1 . 2]" 1
499 1 45 VAL HA 1 45 VAL MG2 3.330 . 3.660 2.432 2.404 2.464 . 0 0 "[ . 1 . 2]" 1
500 1 5 SER H 1 5 SER HB2 3.940 . 4.330 2.888 2.479 3.652 . 0 0 "[ . 1 . 2]" 1
501 1 42 GLU HA 1 99 PRO HG3 4.540 . 4.990 2.786 1.930 3.837 . 0 0 "[ . 1 . 2]" 1
502 1 10 GLY HA2 1 11 LYS HD2 5.160 . 5.680 5.522 5.116 5.753 0.073 15 0 "[ . 1 . 2]" 1
503 1 42 GLU HA 1 99 PRO HG2 4.540 . 4.990 3.120 2.498 3.695 . 0 0 "[ . 1 . 2]" 1
504 1 10 GLY HA2 1 11 LYS HB2 4.840 . 5.320 4.540 4.235 4.828 . 0 0 "[ . 1 . 2]" 1
505 1 15 TYR QD 1 42 GLU HA 4.640 . 5.100 3.731 3.234 4.313 . 0 0 "[ . 1 . 2]" 1
506 1 42 GLU HA 1 42 GLU HG2 4.110 . 4.520 3.142 2.329 3.817 . 0 0 "[ . 1 . 2]" 1
507 1 42 GLU HA 1 42 GLU HG3 4.110 . 4.520 3.520 2.460 4.271 . 0 0 "[ . 1 . 2]" 1
508 1 105 LYS HA 1 105 LYS HE3 4.890 . 5.380 2.827 2.464 3.217 . 0 0 "[ . 1 . 2]" 1
509 1 105 LYS HA 1 105 LYS HD3 3.850 . 4.230 3.681 3.580 3.818 . 0 0 "[ . 1 . 2]" 1
510 1 105 LYS HA 1 105 LYS HG2 3.350 . 3.690 3.084 2.971 3.267 . 0 0 "[ . 1 . 2]" 1
511 1 105 LYS HA 1 105 LYS HE2 4.890 . 5.380 4.127 3.839 4.408 . 0 0 "[ . 1 . 2]" 1
512 1 105 LYS HA 1 105 LYS HG3 4.180 . 4.600 3.762 3.705 3.835 . 0 0 "[ . 1 . 2]" 1
513 1 37 LEU HB3 1 38 PRO HD3 4.430 . 4.870 3.436 3.002 3.734 . 0 0 "[ . 1 . 2]" 1
514 1 5 SER H 1 5 SER HB3 3.940 . 4.330 3.102 2.481 3.846 . 0 0 "[ . 1 . 2]" 1
515 1 49 ILE MG 1 50 THR HB 4.820 . 5.300 4.457 4.200 4.672 . 0 0 "[ . 1 . 2]" 1
516 1 37 LEU HB2 1 38 PRO HD3 4.790 . 5.270 4.636 4.240 4.847 . 0 0 "[ . 1 . 2]" 1
517 1 37 LEU MD2 1 38 PRO HD3 3.740 . 4.110 3.161 2.752 3.524 . 0 0 "[ . 1 . 2]" 1
518 1 84 SER H 1 84 SER HB2 4.070 . 4.480 3.033 2.385 4.050 . 0 0 "[ . 1 . 2]" 1
519 1 83 SER HB3 1 84 SER H 4.270 . 4.700 3.670 2.287 4.466 . 0 0 "[ . 1 . 2]" 1
520 1 82 ILE MG 1 83 SER HB3 5.170 . 5.690 4.959 3.951 5.668 . 0 0 "[ . 1 . 2]" 1
521 1 95 LYS H 1 96 ALA HA 5.500 . 6.050 5.352 5.251 5.430 . 0 0 "[ . 1 . 2]" 1
522 1 96 ALA HA 1 103 LYS HE2 5.420 . 5.960 4.377 3.176 5.824 . 0 0 "[ . 1 . 2]" 1
523 1 96 ALA HA 1 103 LYS HE3 5.420 . 5.960 4.925 3.430 5.991 0.031 4 0 "[ . 1 . 2]" 1
524 1 96 ALA HA 1 98 LEU HB2 5.250 . 5.780 4.846 4.525 5.095 . 0 0 "[ . 1 . 2]" 1
525 1 95 LYS HB2 1 96 ALA HA 5.500 . 6.050 5.696 5.642 5.779 . 0 0 "[ . 1 . 2]" 1
526 1 95 LYS HB3 1 96 ALA HA 5.500 . 6.050 4.338 4.211 4.462 . 0 0 "[ . 1 . 2]" 1
527 1 73 ASP H 1 87 VAL HA 4.870 . 5.360 4.518 3.579 5.359 . 0 0 "[ . 1 . 2]" 1
528 1 87 VAL HA 1 88 LYS HG3 4.720 . 5.190 4.690 3.862 5.219 0.029 9 0 "[ . 1 . 2]" 1
529 1 49 ILE MG 1 87 VAL HA 5.500 . 6.050 5.335 4.765 6.038 . 0 0 "[ . 1 . 2]" 1
530 1 101 LYS HA 1 102 VAL QG 5.500 . 6.050 4.827 4.679 4.921 . 0 0 "[ . 1 . 2]" 1
531 1 101 LYS HA 1 101 LYS HG2 3.860 . 4.250 3.130 2.972 3.387 . 0 0 "[ . 1 . 2]" 1
532 1 9 ILE HA 1 10 GLY HA2 4.970 . 5.470 4.457 4.422 4.527 . 0 0 "[ . 1 . 2]" 1
533 1 9 ILE HA 1 10 GLY HA3 5.300 . 5.830 4.401 4.360 4.482 . 0 0 "[ . 1 . 2]" 1
534 1 9 ILE HA 1 9 ILE HG12 3.950 . 4.350 2.880 2.515 3.648 . 0 0 "[ . 1 . 2]" 1
535 1 9 ILE HA 1 9 ILE MG 3.230 . 3.550 2.428 2.384 2.540 . 0 0 "[ . 1 . 2]" 1
536 1 9 ILE HA 1 9 ILE MD 3.610 . 3.970 3.029 2.010 3.858 . 0 0 "[ . 1 . 2]" 1
537 1 82 ILE MG 1 83 SER HB2 5.170 . 5.690 4.974 3.478 5.639 . 0 0 "[ . 1 . 2]" 1
538 1 66 ALA HA 1 67 PHE HB2 4.970 . 5.470 4.708 4.621 4.900 . 0 0 "[ . 1 . 2]" 1
539 1 26 LYS HB3 1 29 GLY HA2 4.500 . 4.950 3.974 2.219 5.134 0.184 4 0 "[ . 1 . 2]" 1
540 1 40 TYR HB3 1 44 GLY HA2 4.580 . 5.040 2.125 1.747 2.595 0.053 18 0 "[ . 1 . 2]" 1
541 1 82 ILE HA 1 82 ILE MG 3.300 . 3.630 2.672 2.363 3.225 . 0 0 "[ . 1 . 2]" 1
542 1 82 ILE HA 1 82 ILE HG13 4.080 . 4.490 2.974 2.425 3.767 . 0 0 "[ . 1 . 2]" 1
543 1 82 ILE HA 1 82 ILE HG12 4.080 . 4.490 3.121 2.533 3.739 . 0 0 "[ . 1 . 2]" 1
544 1 107 THR HB 1 108 ILE H 4.620 . 5.080 4.033 3.520 4.392 . 0 0 "[ . 1 . 2]" 1
545 1 26 LYS HA 1 27 VAL HA 4.660 . 5.130 4.432 4.400 4.446 . 0 0 "[ . 1 . 2]" 1
546 1 27 VAL HA 1 27 VAL MG1 2.870 . 3.160 2.388 2.325 2.426 . 0 0 "[ . 1 . 2]" 1
547 1 26 LYS HB3 1 27 VAL HA 4.630 . 5.090 4.714 4.341 4.913 . 0 0 "[ . 1 . 2]" 1
548 1 108 ILE HA 1 108 ILE HG13 3.810 . 4.190 3.602 2.916 3.855 . 0 0 "[ . 1 . 2]" 1
549 1 8 ARG HA 1 9 ILE H 3.090 . 3.400 3.017 2.225 3.552 0.152 6 0 "[ . 1 . 2]" 1
550 1 7 ASN H 1 8 ARG HA 5.490 . 6.040 5.276 4.535 5.986 . 0 0 "[ . 1 . 2]" 1
551 1 62 LEU HA 1 62 LEU QD . . 3.640 2.007 1.823 2.166 . 0 0 "[ . 1 . 2]" 1
552 1 62 LEU HA 1 62 LEU HG 3.740 . 4.110 3.103 2.907 3.276 . 0 0 "[ . 1 . 2]" 1
553 1 85 ILE HA 1 85 ILE HG12 4.080 . 4.490 3.304 2.479 3.793 . 0 0 "[ . 1 . 2]" 1
554 1 85 ILE HA 1 85 ILE MG 3.300 . 3.630 2.668 2.327 3.228 . 0 0 "[ . 1 . 2]" 1
555 1 85 ILE HA 1 85 ILE HG13 4.080 . 4.490 3.224 2.429 3.800 . 0 0 "[ . 1 . 2]" 1
556 1 6 LEU HA 1 6 LEU MD1 4.000 . 4.400 3.108 1.953 3.898 . 0 0 "[ . 1 . 2]" 1
557 1 19 LYS HA 1 19 LYS HG2 4.250 . 4.680 3.276 2.533 3.801 . 0 0 "[ . 1 . 2]" 1
558 1 19 LYS HA 1 37 LEU MD1 4.750 . 5.220 4.661 4.280 5.244 0.024 8 0 "[ . 1 . 2]" 1
559 1 19 LYS HA 1 37 LEU MD2 5.160 . 5.680 4.459 3.907 5.478 . 0 0 "[ . 1 . 2]" 1
560 1 19 LYS HA 1 19 LYS HG3 4.250 . 4.680 2.894 2.524 3.713 . 0 0 "[ . 1 . 2]" 1
561 1 107 THR HA 1 108 ILE H 3.530 . 3.880 3.455 3.288 3.562 . 0 0 "[ . 1 . 2]" 1
562 1 104 ASP HA 1 104 ASP HB3 2.920 . 3.210 2.489 2.477 2.512 . 0 0 "[ . 1 . 2]" 1
563 1 25 GLU HA 1 25 GLU HG3 4.080 . 4.490 2.538 2.428 2.661 . 0 0 "[ . 1 . 2]" 1
564 1 23 THR HA 1 23 THR MG 3.220 . 3.540 2.937 2.368 3.228 . 0 0 "[ . 1 . 2]" 1
565 1 23 THR HA 1 24 ILE HG12 4.170 . 4.590 3.737 3.490 3.918 . 0 0 "[ . 1 . 2]" 1
566 1 37 LEU H 1 49 ILE HA 5.270 . 5.800 5.081 4.892 5.347 . 0 0 "[ . 1 . 2]" 1
567 1 48 GLN HA 1 49 ILE H 3.320 . 3.650 2.157 2.116 2.178 . 0 0 "[ . 1 . 2]" 1
568 1 68 LEU HA 1 69 ARG HA 4.630 . 5.090 4.449 4.427 4.464 . 0 0 "[ . 1 . 2]" 1
569 1 93 ILE HA 1 93 ILE MG 3.150 . 3.470 2.346 2.315 2.381 . 0 0 "[ . 1 . 2]" 1
570 1 14 TYR QD 1 41 ASP HA 4.650 . 5.120 3.434 2.691 4.040 . 0 0 "[ . 1 . 2]" 1
571 1 15 TYR QE 1 41 ASP HA 4.950 . 5.440 4.072 3.437 4.838 . 0 0 "[ . 1 . 2]" 1
572 1 24 ILE MG 1 26 LYS HA 4.390 . 4.830 4.062 3.475 4.868 0.038 12 0 "[ . 1 . 2]" 1
573 1 26 LYS HA 1 27 VAL MG2 4.640 . 5.100 3.766 3.641 3.896 . 0 0 "[ . 1 . 2]" 1
574 1 26 LYS HA 1 30 ARG H 4.080 . 4.490 4.059 3.379 4.491 0.001 3 0 "[ . 1 . 2]" 1
575 1 26 LYS HA 1 27 VAL H 3.370 . 3.710 2.160 2.118 2.181 . 0 0 "[ . 1 . 2]" 1
576 1 31 ASN HA 1 32 LEU H 3.330 . 3.660 2.178 2.138 2.209 . 0 0 "[ . 1 . 2]" 1
577 1 92 GLU HA 1 93 ILE MG 4.110 . 4.520 3.721 3.651 3.813 . 0 0 "[ . 1 . 2]" 1
578 1 92 GLU HA 1 93 ILE HG12 4.520 . 4.970 3.839 3.676 4.020 . 0 0 "[ . 1 . 2]" 1
579 1 71 TYR HA 1 87 VAL QG 4.210 . 4.630 4.050 3.647 4.438 . 0 0 "[ . 1 . 2]" 1
580 1 14 TYR H 1 71 TYR HA 4.060 . 4.470 3.937 3.480 4.382 . 0 0 "[ . 1 . 2]" 1
581 1 106 PHE HA 1 106 PHE HD1 3.190 . 3.510 2.606 2.259 2.910 . 0 0 "[ . 1 . 2]" 1
582 1 72 VAL HA 1 88 LYS HG3 4.260 . 4.690 3.936 2.256 4.730 0.040 8 0 "[ . 1 . 2]" 1
583 1 39 ALA HA 1 40 TYR QD 3.970 . 4.370 3.352 2.956 3.557 . 0 0 "[ . 1 . 2]" 1
584 1 72 VAL HA 1 87 VAL HA 3.790 . 4.170 2.759 2.012 3.618 . 0 0 "[ . 1 . 2]" 1
585 1 37 LEU HA 1 38 PRO HD3 3.290 . 3.620 2.241 1.826 2.437 . 0 0 "[ . 1 . 2]" 1
586 1 37 LEU HA 1 37 LEU MD2 3.290 . 3.620 2.037 1.927 2.118 . 0 0 "[ . 1 . 2]" 1
587 1 72 VAL QG 1 73 ASP HA 5.100 . 5.610 3.397 3.115 3.659 . 0 0 "[ . 1 . 2]" 1
588 1 68 LEU HA 1 92 GLU HA 3.710 . 4.080 2.584 2.329 2.935 . 0 0 "[ . 1 . 2]" 1
589 1 68 LEU HA 1 93 ILE HG12 4.100 . 4.510 2.827 2.440 3.176 . 0 0 "[ . 1 . 2]" 1
590 1 67 PHE HA 1 93 ILE HG12 5.500 . 6.050 4.937 4.572 5.236 . 0 0 "[ . 1 . 2]" 1
591 1 67 PHE HA 1 93 ILE MD 5.500 . 6.050 4.999 4.527 5.489 . 0 0 "[ . 1 . 2]" 1
592 1 17 GLN HA 1 67 PHE HA 4.240 . 4.660 2.325 2.101 2.662 . 0 0 "[ . 1 . 2]" 1
593 1 67 PHE HA 1 67 PHE QD 4.240 . 4.660 2.861 2.458 3.099 . 0 0 "[ . 1 . 2]" 1
594 1 67 PHE HA 1 98 LEU QD 5.500 . 6.050 4.182 3.740 4.804 . 0 0 "[ . 1 . 2]" 1
595 1 34 ASN HA 1 52 ARG HA 4.610 . 5.070 2.888 1.983 4.257 . 0 0 "[ . 1 . 2]" 1
596 1 36 THR HA 1 50 THR HA 4.160 . 4.580 2.129 1.951 2.348 . 0 0 "[ . 1 . 2]" 1
597 1 15 TYR HA 1 69 ARG HA 4.170 . 4.590 2.603 2.410 2.906 . 0 0 "[ . 1 . 2]" 1
598 1 15 TYR HA 1 15 TYR QD 4.030 . 4.430 2.939 2.754 3.103 . 0 0 "[ . 1 . 2]" 1
599 1 15 TYR HA 1 70 LEU MD1 4.140 . 4.550 3.118 2.444 3.632 . 0 0 "[ . 1 . 2]" 1
600 1 70 LEU HG 1 90 TYR HA 4.400 . 4.840 3.903 3.484 4.506 . 0 0 "[ . 1 . 2]" 1
601 1 70 LEU HA 1 90 TYR HA 3.880 . 4.270 2.386 2.132 2.687 . 0 0 "[ . 1 . 2]" 1
602 1 49 ILE HA 1 50 THR HA 4.770 . 5.250 4.436 4.414 4.449 . 0 0 "[ . 1 . 2]" 1
603 1 40 TYR HA 1 40 TYR QE 5.210 . 5.730 4.738 4.604 4.838 . 0 0 "[ . 1 . 2]" 1
604 1 14 TYR QD 1 40 TYR HA 4.470 . 4.920 4.126 3.387 4.757 . 0 0 "[ . 1 . 2]" 1
605 1 40 TYR HA 1 46 LYS HA 4.260 . 4.690 3.060 2.543 3.646 . 0 0 "[ . 1 . 2]" 1
606 1 102 VAL HA 1 105 LYS HB3 4.120 . 4.530 4.168 3.657 4.467 . 0 0 "[ . 1 . 2]" 1
607 1 13 VAL QG 1 69 ARG HG2 3.170 . 3.490 2.669 2.414 2.950 . 0 0 "[ . 1 . 2]" 1
608 1 13 VAL QG 1 69 ARG HG3 3.340 . 3.670 2.433 2.036 2.807 . 0 0 "[ . 1 . 2]" 1
609 1 14 TYR HB3 1 70 LEU HB2 5.500 . 6.050 3.557 3.244 4.157 . 0 0 "[ . 1 . 2]" 1
610 1 14 TYR HB3 1 70 LEU HB3 5.500 . 6.050 4.981 4.568 5.548 . 0 0 "[ . 1 . 2]" 1
611 1 40 TYR QE 1 105 LYS HB2 5.420 . 5.960 4.198 3.725 4.832 . 0 0 "[ . 1 . 2]" 1
612 1 108 ILE HA 1 108 ILE MD 3.660 . 4.030 2.540 1.969 3.911 . 0 0 "[ . 1 . 2]" 1
613 1 12 ASP HB2 1 72 VAL QG 3.780 . 4.160 2.623 1.859 3.501 . 0 0 "[ . 1 . 2]" 1
614 1 12 ASP HB3 1 72 VAL QG 3.780 . 4.160 2.344 1.809 3.110 . 0 0 "[ . 1 . 2]" 1
615 1 18 ILE HA 1 18 ILE MD 3.500 . 3.850 2.019 1.947 2.134 . 0 0 "[ . 1 . 2]" 1
616 1 66 ALA H 1 66 ALA MB 3.290 . 3.620 2.503 2.235 2.860 . 0 0 "[ . 1 . 2]" 1
617 1 18 ILE MG 1 37 LEU MD2 5.040 . 5.540 4.090 3.537 4.614 . 0 0 "[ . 1 . 2]" 1
618 1 18 ILE MD 1 37 LEU MD2 5.160 . 5.680 4.148 3.665 4.588 . 0 0 "[ . 1 . 2]" 1
619 1 40 TYR QD 1 45 VAL MG1 5.460 . 6.010 5.087 4.745 5.658 . 0 0 "[ . 1 . 2]" 1
620 1 98 LEU HB3 1 102 VAL HB 3.850 . 4.230 2.633 2.367 3.017 . 0 0 "[ . 1 . 2]" 1
621 1 102 VAL QG 1 106 PHE HD2 3.750 . 4.130 2.121 1.918 2.287 . 0 0 "[ . 1 . 2]" 1
622 1 105 LYS HB2 1 105 LYS HE3 3.920 . 4.310 3.711 3.617 3.827 . 0 0 "[ . 1 . 2]" 1
623 1 105 LYS HB2 1 105 LYS HE2 3.920 . 4.310 4.119 3.990 4.258 . 0 0 "[ . 1 . 2]" 1
624 1 40 TYR QE 1 44 GLY HA2 5.500 . 6.050 5.284 5.028 5.504 . 0 0 "[ . 1 . 2]" 1
625 1 40 TYR QD 1 105 LYS HG3 4.270 . 4.700 3.235 2.687 3.977 . 0 0 "[ . 1 . 2]" 1
626 1 15 TYR HB2 1 106 PHE HE2 4.240 . 4.660 2.907 2.431 3.430 . 0 0 "[ . 1 . 2]" 1
627 1 18 ILE MD 1 51 PHE HZ 3.540 . 3.890 2.386 1.968 3.239 . 0 0 "[ . 1 . 2]" 1
628 1 51 PHE HZ 1 62 LEU QD 3.730 . 4.100 3.027 2.238 3.677 . 0 0 "[ . 1 . 2]" 1
629 1 13 VAL HA 1 14 TYR QD 3.960 . 4.360 3.526 2.916 4.187 . 0 0 "[ . 1 . 2]" 1
630 1 16 MET HA 1 106 PHE HZ 3.770 . 4.150 2.615 2.014 3.390 . 0 0 "[ . 1 . 2]" 1
631 1 38 PRO HB2 1 40 TYR QD 4.670 . 5.140 4.767 4.233 5.057 . 0 0 "[ . 1 . 2]" 1
632 1 38 PRO HB2 1 40 TYR QE 3.640 . 4.000 3.610 2.813 3.972 . 0 0 "[ . 1 . 2]" 1
633 1 40 TYR QE 1 46 LYS HB2 3.780 . 4.160 2.355 2.047 2.782 . 0 0 "[ . 1 . 2]" 1
634 1 39 ALA HA 1 40 TYR QE 4.490 . 4.940 4.524 4.130 4.777 . 0 0 "[ . 1 . 2]" 1
635 1 14 TYR QD 1 39 ALA MB 3.690 . 4.060 3.219 2.611 3.841 . 0 0 "[ . 1 . 2]" 1
636 1 40 TYR HA 1 40 TYR QD 3.550 . 3.900 3.022 2.822 3.158 . 0 0 "[ . 1 . 2]" 1
637 1 15 TYR QD 1 40 TYR HB3 4.890 . 5.380 4.715 4.299 5.164 . 0 0 "[ . 1 . 2]" 1
638 1 40 TYR HB2 1 40 TYR QD 3.240 . 3.560 2.429 2.371 2.484 . 0 0 "[ . 1 . 2]" 1
639 1 40 TYR HB2 1 40 TYR QE 4.810 . 5.290 4.429 4.412 4.445 . 0 0 "[ . 1 . 2]" 1
640 1 15 TYR QE 1 42 GLU HA 3.990 . 4.390 2.460 1.888 3.247 . 0 0 "[ . 1 . 2]" 1
641 1 40 TYR QD 1 44 GLY HA2 4.220 . 4.640 3.237 2.831 3.487 . 0 0 "[ . 1 . 2]" 1
642 1 40 TYR QD 1 46 LYS HA 3.530 . 3.880 2.843 2.335 3.231 . 0 0 "[ . 1 . 2]" 1
643 1 14 TYR QD 1 49 ILE MD 3.960 . 4.360 3.132 2.772 3.768 . 0 0 "[ . 1 . 2]" 1
644 1 35 TYR QE 1 62 LEU QD 5.120 . 5.630 3.725 2.758 4.945 . 0 0 "[ . 1 . 2]" 1
645 1 40 TYR QD 1 106 PHE HZ 4.030 . 4.430 2.633 2.393 3.047 . 0 0 "[ . 1 . 2]" 1
646 1 68 LEU QD 1 90 TYR QD . . 3.750 2.149 1.838 2.811 . 0 0 "[ . 1 . 2]" 1
647 1 68 LEU QD 1 90 TYR QE 4.330 . 4.760 2.891 2.479 3.650 . 0 0 "[ . 1 . 2]" 1
648 1 15 TYR QE 1 69 ARG HD2 4.140 . 4.550 3.576 2.489 4.530 . 0 0 "[ . 1 . 2]" 1
649 1 15 TYR QE 1 69 ARG HG3 3.030 . 3.330 2.843 2.499 3.321 . 0 0 "[ . 1 . 2]" 1
650 1 71 TYR HA 1 71 TYR QD 3.570 . 3.930 2.784 2.475 2.989 . 0 0 "[ . 1 . 2]" 1
651 1 14 TYR QD 1 72 VAL QG 3.850 . 4.230 3.100 2.498 3.822 . 0 0 "[ . 1 . 2]" 1
652 1 62 LEU QD 1 90 TYR QD 4.860 . 5.350 3.894 2.903 4.799 . 0 0 "[ . 1 . 2]" 1
653 1 71 TYR QD 1 88 LYS HG3 4.760 . 5.240 4.824 3.592 5.084 . 0 0 "[ . 1 . 2]" 1
654 1 40 TYR QD 1 45 VAL HA 4.710 . 5.180 3.992 3.646 4.580 . 0 0 "[ . 1 . 2]" 1
655 1 90 TYR H 1 90 TYR QD . . 4.360 2.952 2.499 3.223 . 0 0 "[ . 1 . 2]" 1
656 1 71 TYR QD 1 90 TYR HA 4.520 . 4.970 2.951 2.425 3.668 . 0 0 "[ . 1 . 2]" 1
657 1 90 TYR HB2 1 90 TYR QD 3.290 . 3.620 2.401 2.322 2.460 . 0 0 "[ . 1 . 2]" 1
658 1 90 TYR QD 1 91 GLU H 4.060 . 4.470 3.576 3.136 4.087 . 0 0 "[ . 1 . 2]" 1
659 1 90 TYR QD 1 91 GLU HA 3.830 . 4.210 3.796 3.249 4.173 . 0 0 "[ . 1 . 2]" 1
660 1 15 TYR QE 1 93 ILE MD 3.060 . 3.370 2.858 2.334 3.315 . 0 0 "[ . 1 . 2]" 1
661 1 15 TYR QE 1 98 LEU QD 4.370 . 4.810 3.429 3.122 4.008 . 0 0 "[ . 1 . 2]" 1
662 1 98 LEU QD 1 106 PHE HD2 4.130 . 4.540 2.465 2.060 3.072 . 0 0 "[ . 1 . 2]" 1
663 1 15 TYR QE 1 102 VAL QG 3.120 . 3.430 3.021 2.815 3.337 . 0 0 "[ . 1 . 2]" 1
664 1 40 TYR QE 1 45 VAL HA 5.400 . 5.940 5.246 4.807 5.886 . 0 0 "[ . 1 . 2]" 1
665 1 106 PHE HA 1 106 PHE HE1 4.410 . 4.850 4.607 4.416 4.801 . 0 0 "[ . 1 . 2]" 1
666 1 40 TYR QE 1 106 PHE HZ 4.730 . 5.200 3.708 2.771 4.433 . 0 0 "[ . 1 . 2]" 1
667 1 40 TYR QE 1 106 PHE HE1 4.870 . 5.360 3.144 2.527 3.664 . 0 0 "[ . 1 . 2]" 1
668 1 40 TYR QE 1 105 LYS HB3 4.410 . 4.850 3.015 2.498 3.565 . 0 0 "[ . 1 . 2]" 1
669 1 71 TYR HB3 1 71 TYR QD 3.030 . 3.330 2.482 2.392 2.607 . 0 0 "[ . 1 . 2]" 1
670 1 71 TYR HB2 1 71 TYR QD 3.090 . 3.400 2.349 2.293 2.419 . 0 0 "[ . 1 . 2]" 1
671 1 14 TYR H 1 70 LEU MD1 4.970 . 5.470 4.551 4.000 4.857 . 0 0 "[ . 1 . 2]" 1
672 1 12 ASP H 1 12 ASP HB3 3.910 . 4.300 3.538 2.806 4.081 . 0 0 "[ . 1 . 2]" 1
673 1 12 ASP HB3 1 13 VAL H 4.700 . 5.170 4.457 4.194 4.649 . 0 0 "[ . 1 . 2]" 1
674 1 26 LYS HG2 1 30 ARG H 4.530 . 4.980 3.857 2.822 4.982 0.002 9 0 "[ . 1 . 2]" 1
675 1 75 ASP H 1 76 ASP H 3.950 . 4.350 2.660 2.333 3.052 . 0 0 "[ . 1 . 2]" 1
676 1 52 ARG HA 1 53 SER H 3.320 . 3.650 2.559 2.181 3.596 . 0 0 "[ . 1 . 2]" 1
677 1 52 ARG HB2 1 53 SER H 4.840 . 5.320 3.411 1.906 4.507 . 0 0 "[ . 1 . 2]" 1
678 1 52 ARG HB3 1 53 SER H 4.840 . 5.320 3.768 2.091 4.629 . 0 0 "[ . 1 . 2]" 1
679 1 9 ILE MG 1 11 LYS H 5.070 . 5.580 5.082 4.840 5.374 . 0 0 "[ . 1 . 2]" 1
680 1 25 GLU H 1 26 LYS HA 5.000 . 5.500 4.823 4.444 5.092 . 0 0 "[ . 1 . 2]" 1
681 1 35 TYR H 1 52 ARG HA 4.660 . 5.130 3.454 2.774 4.306 . 0 0 "[ . 1 . 2]" 1
682 1 15 TYR QD 1 16 MET H 4.770 . 5.250 4.364 4.174 4.573 . 0 0 "[ . 1 . 2]" 1
683 1 26 LYS HG2 1 29 GLY H 5.060 . 5.570 4.439 2.721 5.547 . 0 0 "[ . 1 . 2]" 1
684 1 14 TYR QD 1 47 LYS H 5.500 . 6.050 4.945 4.118 5.589 . 0 0 "[ . 1 . 2]" 1
685 1 68 LEU QD 1 92 GLU H 4.150 . 4.570 3.625 3.487 3.889 . 0 0 "[ . 1 . 2]" 1
686 1 25 GLU HB2 1 34 ASN HD21 4.840 . 5.320 3.881 2.369 5.334 0.014 17 0 "[ . 1 . 2]" 1
687 1 25 GLU HB2 1 34 ASN HD22 4.840 . 5.320 2.999 2.055 4.970 . 0 0 "[ . 1 . 2]" 1
688 1 40 TYR H 1 47 LYS H 5.330 . 5.860 4.827 4.428 5.135 . 0 0 "[ . 1 . 2]" 1
689 1 104 ASP H 1 105 LYS HG2 4.620 . 5.080 4.373 3.927 4.720 . 0 0 "[ . 1 . 2]" 1
690 1 39 ALA H 1 40 TYR QD 4.950 . 5.440 5.022 4.618 5.261 . 0 0 "[ . 1 . 2]" 1
691 1 8 ARG H 1 9 ILE HB 5.090 . 5.600 4.897 4.241 5.706 0.106 8 0 "[ . 1 . 2]" 1
692 1 15 TYR H 1 70 LEU MD1 4.580 . 5.040 4.440 3.677 4.936 . 0 0 "[ . 1 . 2]" 1
693 1 40 TYR H 1 70 LEU MD1 5.500 . 6.050 5.482 4.993 6.022 . 0 0 "[ . 1 . 2]" 1
694 1 40 TYR H 1 98 LEU QD 5.500 . 6.050 5.476 5.128 5.792 . 0 0 "[ . 1 . 2]" 1
695 1 105 LYS H 1 106 PHE QB 4.790 . 5.270 4.615 4.464 4.802 . 0 0 "[ . 1 . 2]" 1
696 1 103 LYS HB2 1 106 PHE H 5.500 . 6.050 5.298 4.867 5.723 . 0 0 "[ . 1 . 2]" 1
697 1 13 VAL HA 1 14 TYR H 2.960 . 3.260 2.173 2.147 2.198 . 0 0 "[ . 1 . 2]" 1
698 1 38 PRO HA 1 39 ALA H 3.210 . 3.530 2.192 2.148 2.260 . 0 0 "[ . 1 . 2]" 1
699 1 102 VAL H 1 105 LYS H 4.590 . 5.050 4.748 4.634 4.905 . 0 0 "[ . 1 . 2]" 1
700 1 24 ILE H 1 25 GLU H 5.040 . 5.540 4.377 4.197 4.535 . 0 0 "[ . 1 . 2]" 1
701 1 14 TYR HA 1 40 TYR H 4.780 . 5.260 4.553 3.853 5.013 . 0 0 "[ . 1 . 2]" 1
702 1 15 TYR QD 1 40 TYR H 4.980 . 5.480 4.418 4.086 4.858 . 0 0 "[ . 1 . 2]" 1
703 1 97 ASP H 1 98 LEU H 3.080 . 3.390 2.483 2.184 2.707 . 0 0 "[ . 1 . 2]" 1
704 1 104 ASP H 1 106 PHE H 4.150 . 4.570 4.142 3.964 4.404 . 0 0 "[ . 1 . 2]" 1
705 1 105 LYS H 1 106 PHE H 3.060 . 3.370 2.679 2.528 2.839 . 0 0 "[ . 1 . 2]" 1
706 1 3 ARG HB2 1 4 ALA H 5.250 . 5.780 3.927 2.634 4.548 . 0 0 "[ . 1 . 2]" 1
707 1 3 ARG HB3 1 4 ALA H 5.250 . 5.780 3.906 2.565 4.484 . 0 0 "[ . 1 . 2]" 1
708 1 3 ARG HA 1 4 ALA H 3.420 . 3.760 2.547 2.158 3.551 . 0 0 "[ . 1 . 2]" 1
709 1 4 ALA MB 1 5 SER H 4.520 . 4.970 2.972 1.787 3.658 0.013 14 0 "[ . 1 . 2]" 1
710 1 5 SER HA 1 6 LEU H 3.360 . 3.700 2.370 2.129 3.514 . 0 0 "[ . 1 . 2]" 1
711 1 5 SER HB2 1 6 LEU H 5.140 . 5.650 4.000 2.004 4.635 . 0 0 "[ . 1 . 2]" 1
712 1 5 SER HB3 1 6 LEU H 5.140 . 5.650 3.881 2.533 4.602 . 0 0 "[ . 1 . 2]" 1
713 1 6 LEU HA 1 7 ASN H 3.480 . 3.830 2.731 2.149 3.579 . 0 0 "[ . 1 . 2]" 1
714 1 6 LEU HB2 1 7 ASN H 4.800 . 5.280 3.923 2.359 4.614 . 0 0 "[ . 1 . 2]" 1
715 1 6 LEU HB3 1 7 ASN H 4.800 . 5.280 3.725 2.683 4.418 . 0 0 "[ . 1 . 2]" 1
716 1 9 ILE H 1 9 ILE HB 3.090 . 3.400 2.565 2.405 2.738 . 0 0 "[ . 1 . 2]" 1
717 1 9 ILE H 1 10 GLY H 4.560 . 5.020 4.487 4.336 4.630 . 0 0 "[ . 1 . 2]" 1
718 1 9 ILE H 1 10 GLY HA2 5.500 . 6.050 5.246 4.874 5.756 . 0 0 "[ . 1 . 2]" 1
719 1 9 ILE H 1 10 GLY HA3 5.500 . 6.050 5.709 5.209 5.993 . 0 0 "[ . 1 . 2]" 1
720 1 9 ILE HA 1 10 GLY H 2.880 . 3.170 2.206 2.141 2.318 . 0 0 "[ . 1 . 2]" 1
721 1 9 ILE HB 1 10 GLY H 4.130 . 4.540 4.126 3.764 4.369 . 0 0 "[ . 1 . 2]" 1
722 1 9 ILE HG13 1 10 GLY H 5.380 . 5.920 5.077 4.062 5.552 . 0 0 "[ . 1 . 2]" 1
723 1 9 ILE MG 1 10 GLY H 3.510 . 3.860 2.574 2.108 3.098 . 0 0 "[ . 1 . 2]" 1
724 1 10 GLY H 1 11 LYS HG2 5.380 . 5.920 5.621 5.207 5.960 0.040 15 0 "[ . 1 . 2]" 1
725 1 10 GLY H 1 11 LYS HG3 5.380 . 5.920 4.958 4.542 5.465 . 0 0 "[ . 1 . 2]" 1
726 1 10 GLY H 1 11 LYS H 4.390 . 4.830 4.359 3.937 4.431 . 0 0 "[ . 1 . 2]" 1
727 1 11 LYS H 1 11 LYS HB2 3.420 . 3.760 2.813 2.646 2.970 . 0 0 "[ . 1 . 2]" 1
728 1 11 LYS H 1 11 LYS HD2 4.820 . 5.300 4.864 4.412 5.243 . 0 0 "[ . 1 . 2]" 1
729 1 11 LYS H 1 12 ASP H 4.420 . 4.860 4.407 3.971 4.475 . 0 0 "[ . 1 . 2]" 1
730 1 11 LYS HA 1 12 ASP H 3.310 . 3.640 2.398 2.102 2.632 . 0 0 "[ . 1 . 2]" 1
731 1 11 LYS HB3 1 12 ASP H 3.510 . 3.860 2.485 1.995 3.498 . 0 0 "[ . 1 . 2]" 1
732 1 11 LYS HD3 1 12 ASP H 5.310 . 5.840 4.855 4.098 5.735 . 0 0 "[ . 1 . 2]" 1
733 1 12 ASP H 1 13 VAL HB 5.500 . 6.050 5.008 3.893 5.853 . 0 0 "[ . 1 . 2]" 1
734 1 12 ASP H 1 12 ASP HB2 3.910 . 4.300 3.052 2.394 3.861 . 0 0 "[ . 1 . 2]" 1
735 1 12 ASP H 1 13 VAL H 4.060 . 4.470 2.865 1.971 3.908 . 0 0 "[ . 1 . 2]" 1
736 1 12 ASP H 1 13 VAL HA 5.380 . 5.920 5.095 4.497 5.434 . 0 0 "[ . 1 . 2]" 1
737 1 12 ASP H 1 13 VAL QG 4.460 . 4.910 3.573 3.072 4.292 . 0 0 "[ . 1 . 2]" 1
738 1 12 ASP H 1 14 TYR QE 5.500 . 6.050 5.537 4.733 6.042 . 0 0 "[ . 1 . 2]" 1
739 1 12 ASP H 1 72 VAL QG 4.380 . 4.820 4.494 3.675 4.901 0.081 10 0 "[ . 1 . 2]" 1
740 1 12 ASP HA 1 13 VAL H 3.230 . 3.550 2.963 2.342 3.289 . 0 0 "[ . 1 . 2]" 1
741 1 13 VAL H 1 13 VAL HB 3.570 . 3.930 2.594 2.520 2.771 . 0 0 "[ . 1 . 2]" 1
742 1 13 VAL H 1 14 TYR H 4.790 . 5.270 4.399 4.246 4.534 . 0 0 "[ . 1 . 2]" 1
743 1 13 VAL HB 1 14 TYR H 4.370 . 4.810 4.231 4.047 4.350 . 0 0 "[ . 1 . 2]" 1
744 1 14 TYR H 1 14 TYR HB3 4.060 . 4.470 3.733 3.670 3.792 . 0 0 "[ . 1 . 2]" 1
745 1 14 TYR H 1 14 TYR QD 3.760 . 4.140 2.681 2.249 3.109 . 0 0 "[ . 1 . 2]" 1
746 1 14 TYR H 1 70 LEU H 3.750 . 4.130 3.286 2.899 3.554 . 0 0 "[ . 1 . 2]" 1
747 1 14 TYR H 1 72 VAL QG 5.140 . 5.650 4.559 4.014 5.106 . 0 0 "[ . 1 . 2]" 1
748 1 15 TYR H 1 102 VAL QG 4.900 . 5.390 3.939 3.536 4.188 . 0 0 "[ . 1 . 2]" 1
749 1 14 TYR H 1 15 TYR H 4.670 . 5.140 4.499 4.404 4.570 . 0 0 "[ . 1 . 2]" 1
750 1 14 TYR HA 1 15 TYR H 3.240 . 3.560 2.277 2.158 2.419 . 0 0 "[ . 1 . 2]" 1
751 1 14 TYR HB3 1 15 TYR H 3.820 . 4.200 2.812 2.492 3.225 . 0 0 "[ . 1 . 2]" 1
752 1 14 TYR HB2 1 15 TYR H 4.270 . 4.700 3.915 3.588 4.186 . 0 0 "[ . 1 . 2]" 1
753 1 14 TYR QD 1 15 TYR H 4.190 . 4.610 3.904 3.463 4.299 . 0 0 "[ . 1 . 2]" 1
754 1 15 TYR H 1 15 TYR HB2 3.990 . 4.390 2.668 2.546 2.798 . 0 0 "[ . 1 . 2]" 1
755 1 15 TYR H 1 15 TYR HB3 3.980 . 4.380 3.778 3.686 3.872 . 0 0 "[ . 1 . 2]" 1
756 1 15 TYR H 1 15 TYR QD 3.740 . 4.110 2.724 2.271 3.112 . 0 0 "[ . 1 . 2]" 1
757 1 15 TYR H 1 39 ALA MB 4.010 . 4.410 3.148 2.836 3.676 . 0 0 "[ . 1 . 2]" 1
758 1 15 TYR H 1 40 TYR H 3.700 . 4.070 2.748 2.388 3.070 . 0 0 "[ . 1 . 2]" 1
759 1 15 TYR HA 1 16 MET H 3.200 . 3.520 2.179 2.139 2.249 . 0 0 "[ . 1 . 2]" 1
760 1 15 TYR HB2 1 16 MET H 4.250 . 4.680 4.216 3.929 4.315 . 0 0 "[ . 1 . 2]" 1
761 1 16 MET H 1 16 MET HB3 3.590 . 3.950 2.664 2.587 2.805 . 0 0 "[ . 1 . 2]" 1
762 1 16 MET H 1 70 LEU MD1 3.840 . 4.220 2.739 2.420 3.033 . 0 0 "[ . 1 . 2]" 1
763 1 16 MET H 1 17 GLN H 4.610 . 5.070 4.410 4.253 4.526 . 0 0 "[ . 1 . 2]" 1
764 1 16 MET HB3 1 17 GLN H 4.230 . 4.650 4.090 3.773 4.303 . 0 0 "[ . 1 . 2]" 1
765 1 16 MET HG2 1 17 GLN H 4.610 . 5.070 2.754 2.093 3.271 . 0 0 "[ . 1 . 2]" 1
766 1 16 MET HG3 1 17 GLN H 4.610 . 5.070 3.001 2.493 3.443 . 0 0 "[ . 1 . 2]" 1
767 1 17 GLN H 1 17 GLN HB2 3.810 . 4.190 2.903 2.724 3.146 . 0 0 "[ . 1 . 2]" 1
768 1 17 GLN H 1 17 GLN HB3 3.810 . 4.190 2.566 2.487 2.754 . 0 0 "[ . 1 . 2]" 1
769 1 17 GLN H 1 17 GLN HG2 5.230 . 5.750 4.439 4.363 4.548 . 0 0 "[ . 1 . 2]" 1
770 1 17 GLN H 1 17 GLN HG3 5.230 . 5.750 4.656 4.575 4.739 . 0 0 "[ . 1 . 2]" 1
771 1 17 GLN H 1 37 LEU MD1 5.000 . 5.500 4.655 3.992 5.465 . 0 0 "[ . 1 . 2]" 1
772 1 17 GLN H 1 40 TYR QD 5.500 . 6.050 4.990 4.513 5.588 . 0 0 "[ . 1 . 2]" 1
773 1 17 GLN H 1 70 LEU MD1 5.500 . 6.050 5.563 5.268 5.951 . 0 0 "[ . 1 . 2]" 1
774 1 17 GLN H 1 106 PHE HZ 3.860 . 4.250 2.987 2.301 3.602 . 0 0 "[ . 1 . 2]" 1
775 1 16 MET HA 1 17 GLN H 3.050 . 3.360 2.240 2.168 2.423 . 0 0 "[ . 1 . 2]" 1
776 1 17 GLN HG2 1 18 ILE H 4.450 . 4.890 3.085 2.615 3.637 . 0 0 "[ . 1 . 2]" 1
777 1 17 GLN HG3 1 18 ILE H 4.450 . 4.890 3.268 2.811 3.790 . 0 0 "[ . 1 . 2]" 1
778 1 18 ILE H 1 18 ILE HB 3.660 . 4.030 2.528 2.464 2.610 . 0 0 "[ . 1 . 2]" 1
779 1 18 ILE H 1 18 ILE MD 4.390 . 4.830 3.305 3.092 3.454 . 0 0 "[ . 1 . 2]" 1
780 1 18 ILE H 1 18 ILE HG12 3.940 . 4.330 2.225 2.038 2.389 . 0 0 "[ . 1 . 2]" 1
781 1 18 ILE H 1 18 ILE HG13 3.940 . 4.330 3.669 3.560 3.799 . 0 0 "[ . 1 . 2]" 1
782 1 18 ILE H 1 18 ILE MG 4.230 . 4.650 3.792 3.781 3.810 . 0 0 "[ . 1 . 2]" 1
783 1 17 GLN HA 1 18 ILE H 3.350 . 3.690 2.185 2.155 2.227 . 0 0 "[ . 1 . 2]" 1
784 1 27 VAL H 1 27 VAL MG2 3.700 . 4.070 2.523 2.317 2.707 . 0 0 "[ . 1 . 2]" 1
785 1 19 LYS HB2 1 20 GLY H 4.590 . 5.050 4.228 3.263 4.642 . 0 0 "[ . 1 . 2]" 1
786 1 19 LYS HB3 1 20 GLY H 4.590 . 5.050 3.712 2.286 4.480 . 0 0 "[ . 1 . 2]" 1
787 1 21 GLU H 1 21 GLU HB2 4.100 . 4.510 2.995 2.450 3.751 . 0 0 "[ . 1 . 2]" 1
788 1 21 GLU H 1 21 GLU HB3 4.100 . 4.510 3.460 2.419 4.104 . 0 0 "[ . 1 . 2]" 1
789 1 21 GLU HB2 1 22 GLY H 4.830 . 5.310 3.558 1.947 4.535 . 0 0 "[ . 1 . 2]" 1
790 1 23 THR H 1 24 ILE H 4.730 . 5.200 4.527 4.324 4.631 . 0 0 "[ . 1 . 2]" 1
791 1 23 THR HA 1 24 ILE H 2.840 . 3.120 2.234 2.138 2.388 . 0 0 "[ . 1 . 2]" 1
792 1 23 THR HB 1 24 ILE H 3.960 . 4.360 3.897 2.466 4.299 . 0 0 "[ . 1 . 2]" 1
793 1 24 ILE H 1 24 ILE HB 3.090 . 3.400 2.569 2.440 2.652 . 0 0 "[ . 1 . 2]" 1
794 1 24 ILE H 1 24 ILE HG12 3.690 . 4.060 2.621 2.204 3.024 . 0 0 "[ . 1 . 2]" 1
795 1 23 THR MG 1 24 ILE H 3.580 . 3.940 3.505 2.343 4.008 0.068 12 0 "[ . 1 . 2]" 1
796 1 24 ILE HA 1 25 GLU H 3.540 . 3.890 2.178 2.130 2.234 . 0 0 "[ . 1 . 2]" 1
797 1 25 GLU H 1 25 GLU HB3 4.050 . 4.460 2.629 2.493 2.813 . 0 0 "[ . 1 . 2]" 1
798 1 25 GLU H 1 26 LYS H 4.930 . 5.420 4.285 4.038 4.495 . 0 0 "[ . 1 . 2]" 1
799 1 26 LYS H 1 32 LEU H 5.410 . 5.950 4.556 4.358 4.826 . 0 0 "[ . 1 . 2]" 1
800 1 25 GLU HA 1 26 LYS H 2.940 . 3.230 2.169 2.121 2.199 . 0 0 "[ . 1 . 2]" 1
801 1 25 GLU HG2 1 26 LYS H 4.480 . 4.930 3.465 2.928 3.699 . 0 0 "[ . 1 . 2]" 1
802 1 25 GLU HG3 1 26 LYS H 4.480 . 4.930 3.328 2.829 3.710 . 0 0 "[ . 1 . 2]" 1
803 1 26 LYS H 1 26 LYS HG3 4.330 . 4.760 3.849 2.590 4.697 . 0 0 "[ . 1 . 2]" 1
804 1 26 LYS H 1 27 VAL MG2 4.850 . 5.330 4.269 3.887 4.739 . 0 0 "[ . 1 . 2]" 1
805 1 26 LYS H 1 26 LYS HB2 3.130 . 3.440 2.480 2.350 2.645 . 0 0 "[ . 1 . 2]" 1
806 1 26 LYS HB3 1 27 VAL H 4.480 . 4.930 4.064 3.286 4.397 . 0 0 "[ . 1 . 2]" 1
807 1 27 VAL H 1 32 LEU HB2 4.890 . 5.380 4.073 3.775 4.565 . 0 0 "[ . 1 . 2]" 1
808 1 28 ASP H 1 29 GLY H 4.870 . 5.360 2.705 2.606 2.829 . 0 0 "[ . 1 . 2]" 1
809 1 28 ASP HA 1 29 GLY H 3.540 . 3.890 2.967 2.838 3.089 . 0 0 "[ . 1 . 2]" 1
810 1 28 ASP HB3 1 29 GLY H 4.510 . 4.960 4.420 4.105 4.523 . 0 0 "[ . 1 . 2]" 1
811 1 28 ASP HB2 1 29 GLY H 4.410 . 4.850 4.111 3.948 4.532 . 0 0 "[ . 1 . 2]" 1
812 1 27 VAL H 1 30 ARG H 3.550 . 3.900 3.235 2.882 3.545 . 0 0 "[ . 1 . 2]" 1
813 1 27 VAL MG2 1 30 ARG H 5.400 . 5.940 5.062 4.675 5.256 . 0 0 "[ . 1 . 2]" 1
814 1 30 ARG H 1 32 LEU MD1 5.500 . 6.050 5.138 4.562 5.655 . 0 0 "[ . 1 . 2]" 1
815 1 28 ASP HB2 1 30 ARG H 4.660 . 5.130 3.627 3.075 4.599 . 0 0 "[ . 1 . 2]" 1
816 1 29 GLY H 1 30 ARG H 3.510 . 3.860 2.565 2.461 2.638 . 0 0 "[ . 1 . 2]" 1
817 1 30 ARG H 1 30 ARG HB2 3.060 . 3.370 2.599 2.460 2.757 . 0 0 "[ . 1 . 2]" 1
818 1 30 ARG H 1 30 ARG HD2 5.500 . 6.050 4.642 3.923 5.552 . 0 0 "[ . 1 . 2]" 1
819 1 30 ARG H 1 30 ARG HD3 5.500 . 6.050 4.862 4.212 5.413 . 0 0 "[ . 1 . 2]" 1
820 1 30 ARG H 1 31 ASN H 4.560 . 5.020 4.444 4.270 4.568 . 0 0 "[ . 1 . 2]" 1
821 1 30 ARG HA 1 31 ASN H 2.970 . 3.270 2.189 2.159 2.300 . 0 0 "[ . 1 . 2]" 1
822 1 30 ARG HB3 1 31 ASN H 3.590 . 3.950 3.240 2.862 3.512 . 0 0 "[ . 1 . 2]" 1
823 1 31 ASN H 1 31 ASN HB2 3.900 . 4.290 3.047 2.425 3.657 . 0 0 "[ . 1 . 2]" 1
824 1 31 ASN H 1 31 ASN HB3 3.900 . 4.290 3.212 2.719 3.625 . 0 0 "[ . 1 . 2]" 1
825 1 31 ASN H 1 32 LEU MD2 4.570 . 5.030 4.471 4.221 4.692 . 0 0 "[ . 1 . 2]" 1
826 1 31 ASN H 1 32 LEU HG 5.500 . 6.050 4.840 4.480 5.215 . 0 0 "[ . 1 . 2]" 1
827 1 24 ILE MG 1 31 ASN HD21 4.880 . 5.370 2.942 1.797 3.989 0.003 14 0 "[ . 1 . 2]" 1
828 1 24 ILE MG 1 31 ASN HD22 4.880 . 5.370 4.203 3.201 5.384 0.014 12 0 "[ . 1 . 2]" 1
829 1 32 LEU H 1 32 LEU HB2 3.770 . 4.150 2.556 2.493 2.660 . 0 0 "[ . 1 . 2]" 1
830 1 24 ILE MG 1 32 LEU H 4.160 . 4.580 3.395 2.783 4.106 . 0 0 "[ . 1 . 2]" 1
831 1 23 THR MG 1 34 ASN HD21 4.830 . 5.310 4.120 2.359 5.338 0.028 18 0 "[ . 1 . 2]" 1
832 1 25 GLU HB3 1 34 ASN HD21 4.840 . 5.320 3.644 2.049 5.228 . 0 0 "[ . 1 . 2]" 1
833 1 23 THR MG 1 34 ASN HD22 4.830 . 5.310 3.988 2.406 5.392 0.082 12 0 "[ . 1 . 2]" 1
834 1 25 GLU HB3 1 34 ASN HD22 4.840 . 5.320 2.994 1.818 4.067 . 0 0 "[ . 1 . 2]" 1
835 1 34 ASN H 1 35 TYR H 4.690 . 5.160 4.440 4.254 4.554 . 0 0 "[ . 1 . 2]" 1
836 1 34 ASN HB2 1 35 TYR H 4.650 . 5.120 3.105 2.457 4.175 . 0 0 "[ . 1 . 2]" 1
837 1 35 TYR HA 1 36 THR H 3.070 . 3.380 2.171 2.144 2.235 . 0 0 "[ . 1 . 2]" 1
838 1 36 THR H 1 36 THR HB 3.510 . 3.860 2.657 2.605 2.749 . 0 0 "[ . 1 . 2]" 1
839 1 36 THR H 1 36 THR MG 4.180 . 4.600 3.880 3.853 3.916 . 0 0 "[ . 1 . 2]" 1
840 1 36 THR H 1 37 LEU H 4.420 . 4.860 4.236 4.154 4.325 . 0 0 "[ . 1 . 2]" 1
841 1 36 THR H 1 37 LEU MD1 4.940 . 5.430 4.895 4.598 5.373 . 0 0 "[ . 1 . 2]" 1
842 1 36 THR HA 1 37 LEU H 3.380 . 3.720 2.174 2.150 2.201 . 0 0 "[ . 1 . 2]" 1
843 1 36 THR HB 1 37 LEU H 4.360 . 4.800 4.357 4.317 4.397 . 0 0 "[ . 1 . 2]" 1
844 1 36 THR MG 1 37 LEU H 3.820 . 4.200 3.048 2.906 3.106 . 0 0 "[ . 1 . 2]" 1
845 1 37 LEU H 1 37 LEU HB2 3.890 . 4.280 2.713 2.618 2.789 . 0 0 "[ . 1 . 2]" 1
846 1 37 LEU H 1 37 LEU HB3 3.990 . 4.390 3.824 3.764 3.864 . 0 0 "[ . 1 . 2]" 1
847 1 37 LEU H 1 37 LEU MD1 4.210 . 4.630 4.195 4.073 4.383 . 0 0 "[ . 1 . 2]" 1
848 1 37 LEU H 1 49 ILE H 4.200 . 4.620 3.540 3.372 3.849 . 0 0 "[ . 1 . 2]" 1
849 1 37 LEU H 1 50 THR HA 4.660 . 5.130 3.392 3.208 3.863 . 0 0 "[ . 1 . 2]" 1
850 1 38 PRO HB3 1 39 ALA H 3.740 . 4.110 3.866 3.344 4.127 0.017 9 0 "[ . 1 . 2]" 1
851 1 38 PRO HB2 1 39 ALA H 3.630 . 3.990 3.401 3.054 3.637 . 0 0 "[ . 1 . 2]" 1
852 1 39 ALA H 1 39 ALA MB 3.270 . 3.600 2.552 2.451 2.710 . 0 0 "[ . 1 . 2]" 1
853 1 39 ALA H 1 47 LYS H 3.680 . 4.050 3.252 2.979 3.546 . 0 0 "[ . 1 . 2]" 1
854 1 39 ALA H 1 48 GLN HA 3.720 . 4.090 2.963 2.383 3.659 . 0 0 "[ . 1 . 2]" 1
855 1 39 ALA H 1 49 ILE MD 4.550 . 5.010 4.595 4.104 5.020 0.010 1 0 "[ . 1 . 2]" 1
856 1 14 TYR QD 1 40 TYR H 4.840 . 5.320 4.510 3.733 5.193 . 0 0 "[ . 1 . 2]" 1
857 1 39 ALA H 1 40 TYR H 4.530 . 4.980 4.421 4.306 4.515 . 0 0 "[ . 1 . 2]" 1
858 1 39 ALA MB 1 40 TYR H 3.360 . 3.700 2.675 2.315 2.931 . 0 0 "[ . 1 . 2]" 1
859 1 40 TYR H 1 40 TYR HB3 4.000 . 4.400 3.777 3.677 3.879 . 0 0 "[ . 1 . 2]" 1
860 1 40 TYR H 1 40 TYR HB2 3.720 . 4.090 2.654 2.474 2.803 . 0 0 "[ . 1 . 2]" 1
861 1 40 TYR H 1 40 TYR QD 3.640 . 4.000 2.735 2.277 3.317 . 0 0 "[ . 1 . 2]" 1
862 1 40 TYR H 1 102 VAL QG 4.910 . 5.400 3.972 3.556 4.421 . 0 0 "[ . 1 . 2]" 1
863 1 39 ALA HA 1 40 TYR H 3.230 . 3.550 2.298 2.188 2.469 . 0 0 "[ . 1 . 2]" 1
864 1 14 TYR HA 1 41 ASP H 4.530 . 4.980 4.556 4.188 4.985 0.005 9 0 "[ . 1 . 2]" 1
865 1 14 TYR QD 1 41 ASP H 4.360 . 4.800 3.749 3.119 4.246 . 0 0 "[ . 1 . 2]" 1
866 1 40 TYR HB3 1 41 ASP H 3.910 . 4.300 3.136 2.904 3.330 . 0 0 "[ . 1 . 2]" 1
867 1 40 TYR HB2 1 41 ASP H 4.310 . 4.740 4.097 3.864 4.213 . 0 0 "[ . 1 . 2]" 1
868 1 41 ASP H 1 41 ASP HB3 3.920 . 4.310 2.832 2.337 3.603 . 0 0 "[ . 1 . 2]" 1
869 1 41 ASP H 1 45 VAL HB 4.180 . 4.600 3.385 2.797 3.915 . 0 0 "[ . 1 . 2]" 1
870 1 41 ASP H 1 45 VAL MG2 4.190 . 4.610 4.258 3.794 4.659 0.049 1 0 "[ . 1 . 2]" 1
871 1 41 ASP HA 1 42 GLU H 3.480 . 3.830 2.634 2.454 2.799 . 0 0 "[ . 1 . 2]" 1
872 1 41 ASP HB2 1 42 GLU H 3.520 . 3.870 2.613 1.842 3.748 . 0 0 "[ . 1 . 2]" 1
873 1 41 ASP HB3 1 42 GLU H 3.520 . 3.870 3.299 2.102 3.731 . 0 0 "[ . 1 . 2]" 1
874 1 42 GLU H 1 42 GLU HB2 3.790 . 4.170 2.901 2.130 3.630 . 0 0 "[ . 1 . 2]" 1
875 1 42 GLU H 1 42 GLU HB3 3.790 . 4.170 2.718 2.362 3.606 . 0 0 "[ . 1 . 2]" 1
876 1 42 GLU H 1 102 VAL QG 4.990 . 5.490 4.310 3.800 4.686 . 0 0 "[ . 1 . 2]" 1
877 1 15 TYR QE 1 42 GLU H 4.340 . 4.770 3.555 2.804 4.222 . 0 0 "[ . 1 . 2]" 1
878 1 42 GLU H 1 43 ASP H 3.360 . 3.700 2.855 2.681 3.065 . 0 0 "[ . 1 . 2]" 1
879 1 43 ASP H 1 43 ASP HB2 3.380 . 3.720 2.607 2.351 2.701 . 0 0 "[ . 1 . 2]" 1
880 1 43 ASP H 1 43 ASP HB3 3.380 . 3.720 2.655 2.429 3.675 . 0 0 "[ . 1 . 2]" 1
881 1 43 ASP H 1 44 GLY H 2.890 . 3.180 2.435 2.226 2.589 . 0 0 "[ . 1 . 2]" 1
882 1 43 ASP H 1 44 GLY HA3 4.820 . 5.300 5.113 4.959 5.214 . 0 0 "[ . 1 . 2]" 1
883 1 43 ASP H 1 45 VAL MG2 4.180 . 4.600 3.915 3.137 4.345 . 0 0 "[ . 1 . 2]" 1
884 1 43 ASP H 1 102 VAL QG 5.160 . 5.680 4.373 3.926 4.826 . 0 0 "[ . 1 . 2]" 1
885 1 42 GLU HA 1 44 GLY H 4.450 . 4.890 4.118 3.772 4.475 . 0 0 "[ . 1 . 2]" 1
886 1 43 ASP HB3 1 44 GLY H 4.280 . 4.710 3.217 2.843 4.362 . 0 0 "[ . 1 . 2]" 1
887 1 44 GLY H 1 45 VAL MG2 4.300 . 4.730 3.545 3.326 3.758 . 0 0 "[ . 1 . 2]" 1
888 1 44 GLY H 1 101 LYS HB3 5.500 . 6.050 4.805 4.088 6.080 0.030 15 0 "[ . 1 . 2]" 1
889 1 44 GLY H 1 101 LYS HB2 5.500 . 6.050 4.547 3.635 5.403 . 0 0 "[ . 1 . 2]" 1
890 1 44 GLY H 1 102 VAL QG 4.160 . 4.580 3.305 2.781 3.915 . 0 0 "[ . 1 . 2]" 1
891 1 43 ASP H 1 45 VAL H 4.370 . 4.810 3.773 3.252 4.044 . 0 0 "[ . 1 . 2]" 1
892 1 43 ASP HB2 1 45 VAL H 4.800 . 5.280 4.729 3.120 5.298 0.018 19 0 "[ . 1 . 2]" 1
893 1 43 ASP HB3 1 45 VAL H 4.800 . 5.280 3.367 3.015 4.683 . 0 0 "[ . 1 . 2]" 1
894 1 45 VAL H 1 45 VAL HB 3.060 . 3.370 2.568 2.504 2.620 . 0 0 "[ . 1 . 2]" 1
895 1 45 VAL H 1 45 VAL MG2 2.920 . 3.210 2.118 1.991 2.219 . 0 0 "[ . 1 . 2]" 1
896 1 40 TYR QE 1 46 LYS H 4.440 . 4.880 4.128 3.771 4.496 . 0 0 "[ . 1 . 2]" 1
897 1 45 VAL H 1 46 LYS H 4.590 . 5.050 4.545 4.427 4.617 . 0 0 "[ . 1 . 2]" 1
898 1 45 VAL HA 1 46 LYS H 2.720 . 2.990 2.190 2.143 2.238 . 0 0 "[ . 1 . 2]" 1
899 1 45 VAL HB 1 46 LYS H 4.450 . 4.890 4.168 4.017 4.327 . 0 0 "[ . 1 . 2]" 1
900 1 45 VAL MG1 1 46 LYS H 2.950 . 3.250 2.700 2.455 3.024 . 0 0 "[ . 1 . 2]" 1
901 1 46 LYS H 1 46 LYS HB2 3.080 . 3.390 2.586 2.470 2.710 . 0 0 "[ . 1 . 2]" 1
902 1 46 LYS H 1 46 LYS HB3 3.390 . 3.730 2.552 2.457 2.628 . 0 0 "[ . 1 . 2]" 1
903 1 40 TYR HA 1 47 LYS H 4.250 . 4.680 3.162 2.910 3.526 . 0 0 "[ . 1 . 2]" 1
904 1 40 TYR QD 1 47 LYS H 5.500 . 6.050 4.401 3.915 4.930 . 0 0 "[ . 1 . 2]" 1
905 1 46 LYS H 1 47 LYS H 4.690 . 5.160 4.391 4.234 4.588 . 0 0 "[ . 1 . 2]" 1
906 1 46 LYS HA 1 47 LYS H 3.140 . 3.450 2.139 2.101 2.187 . 0 0 "[ . 1 . 2]" 1
907 1 38 PRO HB2 1 47 LYS H 5.140 . 5.650 5.189 4.743 5.602 . 0 0 "[ . 1 . 2]" 1
908 1 46 LYS HG3 1 47 LYS H 4.350 . 4.790 3.480 2.720 3.830 . 0 0 "[ . 1 . 2]" 1
909 1 47 LYS H 1 48 GLN H 4.790 . 5.270 4.478 4.339 4.538 . 0 0 "[ . 1 . 2]" 1
910 1 47 LYS HA 1 48 GLN H 3.030 . 3.330 2.386 2.204 2.525 . 0 0 "[ . 1 . 2]" 1
911 1 47 LYS HG3 1 48 GLN H 5.160 . 5.680 4.970 4.738 5.363 . 0 0 "[ . 1 . 2]" 1
912 1 47 LYS HB3 1 48 GLN H 4.310 . 4.740 2.687 2.345 3.327 . 0 0 "[ . 1 . 2]" 1
913 1 48 GLN H 1 48 GLN HG2 4.760 . 5.240 4.516 4.424 4.629 . 0 0 "[ . 1 . 2]" 1
914 1 39 ALA MB 1 48 GLN H 5.500 . 6.050 5.026 4.223 5.672 . 0 0 "[ . 1 . 2]" 1
915 1 36 THR MG 1 48 GLN HE21 4.100 . 4.510 3.155 1.801 4.074 . 0 0 "[ . 1 . 2]" 1
916 1 36 THR MG 1 48 GLN HE22 4.100 . 4.510 3.537 2.915 4.213 . 0 0 "[ . 1 . 2]" 1
917 1 16 MET ME 1 49 ILE H 4.600 . 5.060 3.348 2.766 4.691 . 0 0 "[ . 1 . 2]" 1
918 1 48 GLN HG3 1 49 ILE H 4.480 . 4.930 3.302 2.997 3.638 . 0 0 "[ . 1 . 2]" 1
919 1 49 ILE H 1 49 ILE HB 3.940 . 4.330 2.587 2.487 2.707 . 0 0 "[ . 1 . 2]" 1
920 1 49 ILE H 1 49 ILE MD 4.730 . 5.200 4.056 3.892 4.181 . 0 0 "[ . 1 . 2]" 1
921 1 49 ILE H 1 49 ILE MG 4.280 . 4.710 3.839 3.795 3.889 . 0 0 "[ . 1 . 2]" 1
922 1 39 ALA MB 1 49 ILE H 4.260 . 4.690 3.657 3.393 4.197 . 0 0 "[ . 1 . 2]" 1
923 1 61 LYS H 1 62 LEU HB2 4.650 . 5.120 4.942 4.520 5.275 0.155 13 0 "[ . 1 . 2]" 1
924 1 62 LEU H 1 62 LEU HG 3.940 . 4.330 2.910 2.066 3.826 . 0 0 "[ . 1 . 2]" 1
925 1 62 LEU H 1 62 LEU HB2 3.890 . 4.280 2.804 2.335 3.693 . 0 0 "[ . 1 . 2]" 1
926 1 63 ASN HA 1 64 LYS H 3.130 . 3.440 2.301 2.162 2.507 . 0 0 "[ . 1 . 2]" 1
927 1 64 LYS H 1 64 LYS HB2 3.420 . 3.760 2.828 2.335 3.638 . 0 0 "[ . 1 . 2]" 1
928 1 64 LYS H 1 64 LYS HB3 3.420 . 3.760 3.151 2.362 3.647 . 0 0 "[ . 1 . 2]" 1
929 1 18 ILE HB 1 65 TYR H 4.650 . 5.120 4.096 2.535 5.012 . 0 0 "[ . 1 . 2]" 1
930 1 64 LYS HB2 1 65 TYR H 4.630 . 5.090 3.575 2.565 4.602 . 0 0 "[ . 1 . 2]" 1
931 1 65 TYR H 1 66 ALA MB 5.050 . 5.560 3.820 3.289 4.507 . 0 0 "[ . 1 . 2]" 1
932 1 64 LYS HB3 1 65 TYR H 4.630 . 5.090 3.777 2.026 4.461 . 0 0 "[ . 1 . 2]" 1
933 1 65 TYR H 1 66 ALA H 4.350 . 4.790 2.967 1.843 4.204 . 0 0 "[ . 1 . 2]" 1
934 1 18 ILE HB 1 66 ALA H 4.490 . 4.940 2.708 1.884 3.651 . 0 0 "[ . 1 . 2]" 1
935 1 18 ILE H 1 66 ALA H 4.560 . 5.020 3.411 2.446 4.457 . 0 0 "[ . 1 . 2]" 1
936 1 66 ALA H 1 67 PHE H 4.720 . 5.190 4.481 4.317 4.654 . 0 0 "[ . 1 . 2]" 1
937 1 66 ALA HA 1 67 PHE H 2.890 . 3.180 2.413 2.160 2.680 . 0 0 "[ . 1 . 2]" 1
938 1 66 ALA MB 1 67 PHE H 3.080 . 3.390 2.460 1.944 3.224 . 0 0 "[ . 1 . 2]" 1
939 1 67 PHE H 1 67 PHE HB3 3.770 . 4.150 3.704 3.649 3.821 . 0 0 "[ . 1 . 2]" 1
940 1 67 PHE H 1 67 PHE HB2 3.520 . 3.870 2.551 2.468 2.713 . 0 0 "[ . 1 . 2]" 1
941 1 67 PHE H 1 68 LEU QD 5.030 . 5.530 4.334 4.027 4.667 . 0 0 "[ . 1 . 2]" 1
942 1 67 PHE H 1 93 ILE HG12 5.500 . 6.050 5.156 4.555 5.556 . 0 0 "[ . 1 . 2]" 1
943 1 16 MET HB3 1 68 LEU H 4.820 . 5.300 4.012 3.488 4.559 . 0 0 "[ . 1 . 2]" 1
944 1 17 GLN HA 1 68 LEU H 4.140 . 4.550 3.285 2.853 3.596 . 0 0 "[ . 1 . 2]" 1
945 1 67 PHE H 1 68 LEU H 4.590 . 5.050 4.493 4.367 4.572 . 0 0 "[ . 1 . 2]" 1
946 1 67 PHE HB3 1 68 LEU H 4.090 . 4.500 3.087 2.298 3.335 . 0 0 "[ . 1 . 2]" 1
947 1 67 PHE HB2 1 68 LEU H 4.340 . 4.770 4.063 3.431 4.233 . 0 0 "[ . 1 . 2]" 1
948 1 67 PHE HA 1 68 LEU H 3.150 . 3.470 2.213 2.147 2.448 . 0 0 "[ . 1 . 2]" 1
949 1 67 PHE QD 1 68 LEU H 4.490 . 4.940 4.067 3.758 4.303 . 0 0 "[ . 1 . 2]" 1
950 1 68 LEU H 1 68 LEU HG 3.900 . 4.290 3.033 2.803 3.282 . 0 0 "[ . 1 . 2]" 1
951 1 68 LEU H 1 98 LEU QD 5.110 . 5.620 4.312 3.772 4.824 . 0 0 "[ . 1 . 2]" 1
952 1 16 MET H 1 68 LEU H 3.760 . 4.140 3.070 2.639 3.428 . 0 0 "[ . 1 . 2]" 1
953 1 68 LEU H 1 93 ILE HG12 4.680 . 5.150 4.094 3.618 4.603 . 0 0 "[ . 1 . 2]" 1
954 1 68 LEU H 1 93 ILE MD 5.140 . 5.650 4.252 3.729 5.040 . 0 0 "[ . 1 . 2]" 1
955 1 68 LEU HA 1 69 ARG H 3.110 . 3.420 2.253 2.184 2.317 . 0 0 "[ . 1 . 2]" 1
956 1 69 ARG H 1 69 ARG HG2 5.120 . 5.630 4.437 4.283 4.614 . 0 0 "[ . 1 . 2]" 1
957 1 69 ARG H 1 69 ARG HG3 5.500 . 6.050 4.667 4.592 4.728 . 0 0 "[ . 1 . 2]" 1
958 1 69 ARG H 1 90 TYR HA 4.840 . 5.320 4.534 4.302 4.756 . 0 0 "[ . 1 . 2]" 1
959 1 69 ARG H 1 92 GLU HA 4.070 . 4.480 3.836 3.619 4.017 . 0 0 "[ . 1 . 2]" 1
960 1 69 ARG H 1 93 ILE H 4.530 . 4.980 4.059 3.874 4.539 . 0 0 "[ . 1 . 2]" 1
961 1 69 ARG H 1 70 LEU MD1 4.560 . 5.020 3.396 3.022 3.592 . 0 0 "[ . 1 . 2]" 1
962 1 69 ARG H 1 91 GLU H 3.840 . 4.220 2.639 2.309 2.823 . 0 0 "[ . 1 . 2]" 1
963 1 69 ARG H 1 93 ILE HG12 4.480 . 4.930 3.309 3.087 3.601 . 0 0 "[ . 1 . 2]" 1
964 1 13 VAL QG 1 70 LEU H 4.240 . 4.660 3.644 3.144 4.201 . 0 0 "[ . 1 . 2]" 1
965 1 15 TYR HA 1 70 LEU H 4.390 . 4.830 3.241 2.903 3.643 . 0 0 "[ . 1 . 2]" 1
966 1 70 LEU H 1 70 LEU MD1 3.480 . 3.830 2.294 2.213 2.423 . 0 0 "[ . 1 . 2]" 1
967 1 69 ARG HB2 1 70 LEU H 5.150 . 5.670 4.365 4.272 4.467 . 0 0 "[ . 1 . 2]" 1
968 1 69 ARG HG2 1 70 LEU H 4.090 . 4.500 3.491 3.085 3.708 . 0 0 "[ . 1 . 2]" 1
969 1 69 ARG HG3 1 70 LEU H 4.360 . 4.800 3.451 3.203 3.812 . 0 0 "[ . 1 . 2]" 1
970 1 16 MET H 1 70 LEU H 4.990 . 5.490 4.307 4.024 4.631 . 0 0 "[ . 1 . 2]" 1
971 1 69 ARG H 1 70 LEU H 5.420 . 5.960 4.283 4.164 4.317 . 0 0 "[ . 1 . 2]" 1
972 1 69 ARG HA 1 70 LEU H 3.160 . 3.480 2.160 2.134 2.190 . 0 0 "[ . 1 . 2]" 1
973 1 70 LEU H 1 70 LEU HB2 3.890 . 4.280 2.441 2.393 2.507 . 0 0 "[ . 1 . 2]" 1
974 1 70 LEU H 1 70 LEU HB3 3.890 . 4.280 3.653 3.623 3.693 . 0 0 "[ . 1 . 2]" 1
975 1 70 LEU H 1 71 TYR H 5.190 . 5.710 4.527 4.435 4.576 . 0 0 "[ . 1 . 2]" 1
976 1 71 TYR H 1 88 LYS H 5.470 . 6.020 4.483 4.029 4.900 . 0 0 "[ . 1 . 2]" 1
977 1 70 LEU HA 1 71 TYR H 3.190 . 3.510 2.201 2.129 2.277 . 0 0 "[ . 1 . 2]" 1
978 1 70 LEU HB2 1 71 TYR H 4.430 . 4.870 4.080 3.940 4.276 . 0 0 "[ . 1 . 2]" 1
979 1 71 TYR H 1 71 TYR HB2 3.510 . 3.860 2.632 2.493 2.792 . 0 0 "[ . 1 . 2]" 1
980 1 71 TYR H 1 71 TYR QD 3.820 . 4.200 2.933 2.546 3.232 . 0 0 "[ . 1 . 2]" 1
981 1 71 TYR H 1 87 VAL QG 3.890 . 4.280 2.390 2.129 2.853 . 0 0 "[ . 1 . 2]" 1
982 1 71 TYR H 1 90 TYR HA 4.080 . 4.490 3.236 2.975 3.571 . 0 0 "[ . 1 . 2]" 1
983 1 70 LEU HB3 1 71 TYR H 4.430 . 4.870 2.972 2.791 3.278 . 0 0 "[ . 1 . 2]" 1
984 1 72 VAL HA 1 73 ASP H 3.100 . 3.410 2.288 2.164 2.463 . 0 0 "[ . 1 . 2]" 1
985 1 72 VAL QG 1 73 ASP H 3.220 . 3.540 2.221 1.871 2.592 . 0 0 "[ . 1 . 2]" 1
986 1 73 ASP H 1 73 ASP HB2 3.880 . 4.270 3.045 2.530 3.844 . 0 0 "[ . 1 . 2]" 1
987 1 73 ASP H 1 73 ASP HB3 3.880 . 4.270 2.943 2.577 3.790 . 0 0 "[ . 1 . 2]" 1
988 1 73 ASP H 1 88 LYS H 4.280 . 4.710 3.951 3.291 4.584 . 0 0 "[ . 1 . 2]" 1
989 1 73 ASP H 1 88 LYS HG2 4.190 . 4.610 3.447 2.321 4.162 . 0 0 "[ . 1 . 2]" 1
990 1 73 ASP H 1 88 LYS HG3 5.090 . 5.600 4.749 3.372 5.628 0.028 20 0 "[ . 1 . 2]" 1
991 1 75 ASP HB2 1 76 ASP H 4.590 . 5.050 3.498 2.416 4.124 . 0 0 "[ . 1 . 2]" 1
992 1 75 ASP HB3 1 76 ASP H 4.590 . 5.050 3.280 2.386 4.371 . 0 0 "[ . 1 . 2]" 1
993 1 76 ASP H 1 76 ASP HB2 3.980 . 4.380 3.168 2.424 4.007 . 0 0 "[ . 1 . 2]" 1
994 1 76 ASP H 1 77 ASN H 4.790 . 5.270 3.856 2.701 4.614 . 0 0 "[ . 1 . 2]" 1
995 1 76 ASP HA 1 77 ASN H 2.870 . 3.160 2.550 2.163 3.255 0.095 3 0 "[ . 1 . 2]" 1
996 1 77 ASN H 1 77 ASN HB2 4.160 . 4.580 3.000 2.362 3.629 . 0 0 "[ . 1 . 2]" 1
997 1 77 ASN H 1 77 ASN HB3 4.160 . 4.580 3.102 2.484 4.118 . 0 0 "[ . 1 . 2]" 1
998 1 78 SER H 1 79 LYS H 4.470 . 4.920 3.503 2.517 4.595 . 0 0 "[ . 1 . 2]" 1
999 1 83 SER HB2 1 84 SER H 4.270 . 4.700 3.847 2.563 4.579 . 0 0 "[ . 1 . 2]" 1
1000 1 84 SER H 1 85 ILE H 4.610 . 5.070 3.911 2.474 4.634 . 0 0 "[ . 1 . 2]" 1
1001 1 85 ILE H 1 85 ILE MD 5.500 . 6.050 3.946 3.466 4.615 . 0 0 "[ . 1 . 2]" 1
1002 1 72 VAL HA 1 88 LYS H 3.710 . 4.080 2.655 2.026 3.223 . 0 0 "[ . 1 . 2]" 1
1003 1 87 VAL HA 1 88 LYS H 3.240 . 3.560 2.190 2.144 2.271 . 0 0 "[ . 1 . 2]" 1
1004 1 87 VAL QG 1 88 LYS H 3.370 . 3.710 2.852 2.341 3.324 . 0 0 "[ . 1 . 2]" 1
1005 1 88 LYS H 1 88 LYS HB2 3.950 . 4.350 3.648 3.609 3.689 . 0 0 "[ . 1 . 2]" 1
1006 1 88 LYS H 1 88 LYS HB3 3.950 . 4.350 2.772 2.588 3.046 . 0 0 "[ . 1 . 2]" 1
1007 1 88 LYS H 1 88 LYS HG2 3.630 . 3.990 2.527 1.925 3.494 . 0 0 "[ . 1 . 2]" 1
1008 1 88 LYS H 1 88 LYS HG3 3.680 . 4.050 2.684 1.888 3.295 . 0 0 "[ . 1 . 2]" 1
1009 1 71 TYR H 1 89 SER H 3.850 . 4.230 3.263 2.992 3.410 . 0 0 "[ . 1 . 2]" 1
1010 1 71 TYR HB2 1 89 SER H 3.880 . 4.270 3.226 2.897 3.510 . 0 0 "[ . 1 . 2]" 1
1011 1 71 TYR QD 1 89 SER H 5.100 . 5.610 4.256 3.610 4.818 . 0 0 "[ . 1 . 2]" 1
1012 1 87 VAL HA 1 89 SER H 4.250 . 4.680 3.773 3.521 4.240 . 0 0 "[ . 1 . 2]" 1
1013 1 87 VAL QG 1 89 SER H 3.340 . 3.670 2.282 1.873 2.567 . 0 0 "[ . 1 . 2]" 1
1014 1 88 LYS H 1 89 SER H 3.330 . 3.660 2.463 2.192 2.684 . 0 0 "[ . 1 . 2]" 1
1015 1 88 LYS HB2 1 89 SER H 4.280 . 4.710 3.980 3.795 4.194 . 0 0 "[ . 1 . 2]" 1
1016 1 88 LYS HB3 1 89 SER H 4.280 . 4.710 4.186 4.037 4.402 . 0 0 "[ . 1 . 2]" 1
1017 1 88 LYS HG2 1 89 SER H 4.170 . 4.590 3.519 2.764 4.598 0.008 7 0 "[ . 1 . 2]" 1
1018 1 87 VAL QG 1 90 TYR H 4.630 . 5.090 4.247 3.710 4.548 . 0 0 "[ . 1 . 2]" 1
1019 1 89 SER HA 1 90 TYR H 3.090 . 3.400 2.407 2.270 2.592 . 0 0 "[ . 1 . 2]" 1
1020 1 90 TYR H 1 91 GLU H 4.490 . 4.940 4.388 4.307 4.440 . 0 0 "[ . 1 . 2]" 1
1021 1 68 LEU HA 1 91 GLU H 4.780 . 5.260 4.349 4.024 4.651 . 0 0 "[ . 1 . 2]" 1
1022 1 70 LEU HG 1 91 GLU H 5.500 . 6.050 4.993 4.666 5.534 . 0 0 "[ . 1 . 2]" 1
1023 1 68 LEU QD 1 91 GLU H 5.270 . 5.800 3.853 3.439 4.127 . 0 0 "[ . 1 . 2]" 1
1024 1 70 LEU MD1 1 91 GLU H 5.500 . 6.050 3.935 3.518 4.356 . 0 0 "[ . 1 . 2]" 1
1025 1 90 TYR HA 1 91 GLU H 3.480 . 3.830 2.330 2.204 2.445 . 0 0 "[ . 1 . 2]" 1
1026 1 90 TYR HB2 1 91 GLU H 3.710 . 4.080 2.683 2.357 3.015 . 0 0 "[ . 1 . 2]" 1
1027 1 91 GLU H 1 91 GLU HG2 5.110 . 5.620 4.229 2.134 5.038 . 0 0 "[ . 1 . 2]" 1
1028 1 91 GLU H 1 91 GLU HG3 5.110 . 5.620 4.174 2.872 4.780 . 0 0 "[ . 1 . 2]" 1
1029 1 91 GLU H 1 93 ILE MG 4.880 . 5.370 4.478 4.053 4.821 . 0 0 "[ . 1 . 2]" 1
1030 1 90 TYR QD 1 92 GLU H 5.190 . 5.710 4.724 4.088 5.263 . 0 0 "[ . 1 . 2]" 1
1031 1 91 GLU H 1 92 GLU H 4.680 . 5.150 4.460 4.360 4.521 . 0 0 "[ . 1 . 2]" 1
1032 1 91 GLU HA 1 92 GLU H 2.770 . 3.050 2.302 2.230 2.398 . 0 0 "[ . 1 . 2]" 1
1033 1 92 GLU H 1 92 GLU HB2 3.120 . 3.430 2.721 2.561 2.811 . 0 0 "[ . 1 . 2]" 1
1034 1 92 GLU H 1 92 GLU HB3 3.120 . 3.430 2.530 2.415 2.628 . 0 0 "[ . 1 . 2]" 1
1035 1 92 GLU H 1 92 GLU HG2 4.820 . 5.300 4.459 4.366 4.541 . 0 0 "[ . 1 . 2]" 1
1036 1 92 GLU H 1 93 ILE H 4.660 . 5.130 4.438 4.345 4.541 . 0 0 "[ . 1 . 2]" 1
1037 1 92 GLU H 1 93 ILE MG 4.800 . 5.280 4.107 3.907 4.415 . 0 0 "[ . 1 . 2]" 1
1038 1 91 GLU HG2 1 92 GLU H 5.280 . 5.810 3.861 2.506 4.950 . 0 0 "[ . 1 . 2]" 1
1039 1 67 PHE HB2 1 93 ILE H 4.770 . 5.250 3.830 3.512 4.544 . 0 0 "[ . 1 . 2]" 1
1040 1 68 LEU HA 1 93 ILE H 3.810 . 4.190 2.786 2.565 2.964 . 0 0 "[ . 1 . 2]" 1
1041 1 68 LEU QD 1 93 ILE H 3.980 . 4.380 3.085 2.787 3.408 . 0 0 "[ . 1 . 2]" 1
1042 1 92 GLU HA 1 93 ILE H 2.980 . 3.280 2.162 2.127 2.205 . 0 0 "[ . 1 . 2]" 1
1043 1 92 GLU HB2 1 93 ILE H 4.410 . 4.850 4.353 4.171 4.530 . 0 0 "[ . 1 . 2]" 1
1044 1 92 GLU HB3 1 93 ILE H 4.410 . 4.850 4.277 4.135 4.381 . 0 0 "[ . 1 . 2]" 1
1045 1 92 GLU HG2 1 93 ILE H 4.010 . 4.410 3.303 2.941 3.627 . 0 0 "[ . 1 . 2]" 1
1046 1 93 ILE H 1 93 ILE HG13 3.710 . 4.080 2.980 2.830 3.114 . 0 0 "[ . 1 . 2]" 1
1047 1 93 ILE H 1 94 GLN H 5.050 . 5.560 4.460 4.428 4.496 . 0 0 "[ . 1 . 2]" 1
1048 1 92 GLU HG3 1 93 ILE H 4.010 . 4.410 3.460 3.097 3.880 . 0 0 "[ . 1 . 2]" 1
1049 1 93 ILE H 1 93 ILE HG12 3.300 . 3.630 2.222 2.032 2.420 . 0 0 "[ . 1 . 2]" 1
1050 1 93 ILE HA 1 94 GLN H 3.110 . 3.420 2.532 2.471 2.596 . 0 0 "[ . 1 . 2]" 1
1051 1 93 ILE HB 1 94 GLN H 3.060 . 3.370 2.081 1.983 2.179 . 0 0 "[ . 1 . 2]" 1
1052 1 93 ILE HG13 1 94 GLN H 3.980 . 4.380 3.374 3.212 3.523 . 0 0 "[ . 1 . 2]" 1
1053 1 94 GLN H 1 94 GLN HB2 3.830 . 4.210 3.727 3.672 3.806 . 0 0 "[ . 1 . 2]" 1
1054 1 94 GLN H 1 97 ASP HB2 3.720 . 4.090 2.952 2.377 3.413 . 0 0 "[ . 1 . 2]" 1
1055 1 93 ILE MG 1 94 GLN H 3.990 . 4.390 3.542 3.467 3.641 . 0 0 "[ . 1 . 2]" 1
1056 1 93 ILE MD 1 94 GLN H 4.350 . 4.790 3.886 3.702 4.075 . 0 0 "[ . 1 . 2]" 1
1057 1 94 GLN H 1 94 GLN HG2 3.210 . 3.530 2.489 1.924 3.235 . 0 0 "[ . 1 . 2]" 1
1058 1 94 GLN HE22 1 94 GLN HG2 3.920 . 4.310 3.588 3.476 4.063 . 0 0 "[ . 1 . 2]" 1
1059 1 94 GLN HA 1 95 LYS H 2.880 . 3.170 2.492 2.343 2.567 . 0 0 "[ . 1 . 2]" 1
1060 1 94 GLN HB3 1 95 LYS H 3.720 . 4.090 3.704 3.468 3.896 . 0 0 "[ . 1 . 2]" 1
1061 1 95 LYS H 1 95 LYS HG2 4.600 . 5.060 4.505 4.459 4.536 . 0 0 "[ . 1 . 2]" 1
1062 1 95 LYS H 1 95 LYS HG3 4.600 . 5.060 4.427 4.312 4.473 . 0 0 "[ . 1 . 2]" 1
1063 1 95 LYS H 1 95 LYS HB2 3.330 . 3.660 2.449 2.319 2.512 . 0 0 "[ . 1 . 2]" 1
1064 1 95 LYS H 1 95 LYS HB3 3.330 . 3.660 2.589 2.470 2.742 . 0 0 "[ . 1 . 2]" 1
1065 1 94 GLN HB2 1 96 ALA H 3.700 . 4.070 3.024 2.739 3.293 . 0 0 "[ . 1 . 2]" 1
1066 1 94 GLN HG3 1 96 ALA H 3.550 . 3.900 2.857 1.797 3.690 0.003 5 0 "[ . 1 . 2]" 1
1067 1 95 LYS H 1 96 ALA H 3.410 . 3.750 2.762 2.687 2.852 . 0 0 "[ . 1 . 2]" 1
1068 1 96 ALA H 1 96 ALA MB 2.700 . 2.970 2.245 2.230 2.274 . 0 0 "[ . 1 . 2]" 1
1069 1 93 ILE HB 1 97 ASP H 4.460 . 4.910 4.146 3.772 4.581 . 0 0 "[ . 1 . 2]" 1
1070 1 94 GLN HB2 1 97 ASP H 4.310 . 4.740 4.424 4.137 4.619 . 0 0 "[ . 1 . 2]" 1
1071 1 94 GLN HG2 1 97 ASP H 4.040 . 4.440 2.731 2.096 3.299 . 0 0 "[ . 1 . 2]" 1
1072 1 96 ALA H 1 97 ASP H 3.400 . 3.740 2.682 2.527 2.798 . 0 0 "[ . 1 . 2]" 1
1073 1 96 ALA MB 1 97 ASP H 3.330 . 3.660 2.885 2.583 3.216 . 0 0 "[ . 1 . 2]" 1
1074 1 97 ASP H 1 97 ASP HB2 3.110 . 3.420 2.473 2.078 2.689 . 0 0 "[ . 1 . 2]" 1
1075 1 94 GLN H 1 97 ASP H 3.970 . 4.370 3.615 3.402 4.155 . 0 0 "[ . 1 . 2]" 1
1076 1 93 ILE MD 1 98 LEU H 4.200 . 4.620 3.773 3.477 4.094 . 0 0 "[ . 1 . 2]" 1
1077 1 94 GLN H 1 98 LEU H 5.500 . 6.050 5.394 4.792 6.033 . 0 0 "[ . 1 . 2]" 1
1078 1 95 LYS H 1 98 LEU H 5.500 . 6.050 5.388 5.082 6.001 . 0 0 "[ . 1 . 2]" 1
1079 1 95 LYS HA 1 98 LEU H 3.920 . 4.310 3.602 3.226 4.326 0.016 3 0 "[ . 1 . 2]" 1
1080 1 96 ALA H 1 98 LEU H 4.510 . 4.960 4.161 4.009 4.494 . 0 0 "[ . 1 . 2]" 1
1081 1 96 ALA HA 1 98 LEU H 4.240 . 4.660 3.859 3.510 4.242 . 0 0 "[ . 1 . 2]" 1
1082 1 97 ASP HB2 1 98 LEU H 4.290 . 4.720 3.696 3.036 4.291 . 0 0 "[ . 1 . 2]" 1
1083 1 97 ASP HB3 1 98 LEU H 4.480 . 4.930 3.657 2.783 4.300 . 0 0 "[ . 1 . 2]" 1
1084 1 98 LEU H 1 98 LEU HB3 3.760 . 4.140 3.614 3.579 3.645 . 0 0 "[ . 1 . 2]" 1
1085 1 98 LEU H 1 98 LEU HB2 3.220 . 3.540 2.535 2.470 2.638 . 0 0 "[ . 1 . 2]" 1
1086 1 98 LEU H 1 98 LEU QD 3.930 . 3.960 3.048 2.790 3.143 . 0 0 "[ . 1 . 2]" 1
1087 1 98 LEU H 1 98 LEU HG 3.110 . 3.420 2.294 2.006 2.441 . 0 0 "[ . 1 . 2]" 1
1088 1 99 PRO HA 1 100 GLU H 3.100 . 3.410 2.373 2.298 2.515 . 0 0 "[ . 1 . 2]" 1
1089 1 99 PRO HB2 1 100 GLU H 4.080 . 4.490 2.892 2.539 3.465 . 0 0 "[ . 1 . 2]" 1
1090 1 99 PRO HB3 1 100 GLU H 4.080 . 4.490 3.427 2.931 3.661 . 0 0 "[ . 1 . 2]" 1
1091 1 100 GLU H 1 100 GLU HB2 3.210 . 3.530 2.409 2.364 2.491 . 0 0 "[ . 1 . 2]" 1
1092 1 100 GLU H 1 100 GLU HG2 4.940 . 5.430 4.538 4.489 4.578 . 0 0 "[ . 1 . 2]" 1
1093 1 100 GLU H 1 100 GLU HG3 5.250 . 5.780 4.382 4.332 4.433 . 0 0 "[ . 1 . 2]" 1
1094 1 100 GLU HB3 1 101 LYS H 3.390 . 3.730 2.944 2.438 3.787 0.057 7 0 "[ . 1 . 2]" 1
1095 1 101 LYS H 1 101 LYS HB2 2.960 . 3.260 2.547 2.404 2.720 . 0 0 "[ . 1 . 2]" 1
1096 1 101 LYS H 1 101 LYS HG2 3.740 . 4.110 2.383 1.785 2.993 0.015 13 0 "[ . 1 . 2]" 1
1097 1 101 LYS H 1 102 VAL H 3.380 . 3.720 2.565 2.109 2.999 . 0 0 "[ . 1 . 2]" 1
1098 1 23 THR H 1 24 ILE MD 5.050 . 5.560 4.868 4.048 5.465 . 0 0 "[ . 1 . 2]" 1
1099 1 101 LYS H 1 103 LYS H 4.340 . 4.770 4.208 3.727 4.490 . 0 0 "[ . 1 . 2]" 1
1100 1 100 GLU HG2 1 101 LYS H 4.580 . 5.040 4.134 3.617 4.799 . 0 0 "[ . 1 . 2]" 1
1101 1 102 VAL H 1 103 LYS H 3.000 . 3.300 2.787 2.655 2.928 . 0 0 "[ . 1 . 2]" 1
1102 1 101 LYS HB2 1 102 VAL H 3.270 . 3.600 2.586 2.295 3.079 . 0 0 "[ . 1 . 2]" 1
1103 1 102 VAL H 1 102 VAL HB 3.450 . 3.790 2.416 2.349 2.473 . 0 0 "[ . 1 . 2]" 1
1104 1 98 LEU QD 1 103 LYS H 4.940 . 5.240 3.945 3.558 4.263 . 0 0 "[ . 1 . 2]" 1
1105 1 103 LYS H 1 103 LYS HG3 4.060 . 4.470 3.166 2.871 3.446 . 0 0 "[ . 1 . 2]" 1
1106 1 103 LYS H 1 103 LYS HG2 3.620 . 3.980 2.150 2.027 2.313 . 0 0 "[ . 1 . 2]" 1
1107 1 102 VAL HB 1 103 LYS H 3.040 . 3.340 2.619 2.466 2.750 . 0 0 "[ . 1 . 2]" 1
1108 1 101 LYS HA 1 104 ASP H 4.530 . 4.980 3.818 3.301 4.430 . 0 0 "[ . 1 . 2]" 1
1109 1 102 VAL H 1 104 ASP H 4.090 . 4.500 4.299 3.920 4.549 0.049 8 0 "[ . 1 . 2]" 1
1110 1 102 VAL QG 1 104 ASP H 4.560 . 5.020 4.582 4.489 4.680 . 0 0 "[ . 1 . 2]" 1
1111 1 103 LYS H 1 104 ASP H 3.430 . 3.770 2.809 2.660 2.888 . 0 0 "[ . 1 . 2]" 1
1112 1 103 LYS HG3 1 104 ASP H 4.260 . 4.690 2.163 1.800 2.540 . 0 0 "[ . 1 . 2]" 1
1113 1 103 LYS HG2 1 104 ASP H 4.370 . 4.810 2.856 2.629 3.408 . 0 0 "[ . 1 . 2]" 1
1114 1 103 LYS HB2 1 104 ASP H 3.770 . 4.150 3.726 3.492 3.935 . 0 0 "[ . 1 . 2]" 1
1115 1 104 ASP H 1 104 ASP HB2 2.900 . 3.190 2.509 2.452 2.601 . 0 0 "[ . 1 . 2]" 1
1116 1 104 ASP H 1 105 LYS H 3.240 . 3.560 2.690 2.497 2.849 . 0 0 "[ . 1 . 2]" 1
1117 1 102 VAL HA 1 105 LYS H 3.780 . 4.160 3.300 3.115 3.502 . 0 0 "[ . 1 . 2]" 1
1118 1 101 LYS HB3 1 105 LYS H 5.490 . 6.040 5.263 5.022 5.752 . 0 0 "[ . 1 . 2]" 1
1119 1 102 VAL HB 1 105 LYS H 5.500 . 6.050 5.450 5.257 5.652 . 0 0 "[ . 1 . 2]" 1
1120 1 104 ASP HB2 1 105 LYS H 3.840 . 4.220 2.758 2.480 3.193 . 0 0 "[ . 1 . 2]" 1
1121 1 105 LYS H 1 105 LYS HB2 3.290 . 3.620 2.515 2.405 2.658 . 0 0 "[ . 1 . 2]" 1
1122 1 103 LYS HG3 1 105 LYS H 4.990 . 5.490 4.789 4.499 5.185 . 0 0 "[ . 1 . 2]" 1
1123 1 105 LYS H 1 105 LYS HG3 3.740 . 4.110 3.670 3.468 3.887 . 0 0 "[ . 1 . 2]" 1
1124 1 105 LYS H 1 105 LYS HG2 3.200 . 3.520 2.254 1.968 2.509 . 0 0 "[ . 1 . 2]" 1
1125 1 104 ASP HA 1 106 PHE H 4.240 . 4.660 4.131 3.745 4.468 . 0 0 "[ . 1 . 2]" 1
1126 1 105 LYS HB2 1 106 PHE H 3.830 . 4.210 2.925 2.622 3.213 . 0 0 "[ . 1 . 2]" 1
1127 1 102 VAL QG 1 106 PHE H 4.370 . 4.810 3.986 3.651 4.218 . 0 0 "[ . 1 . 2]" 1
1128 1 105 LYS HB3 1 106 PHE H 4.660 . 5.130 3.874 3.605 4.118 . 0 0 "[ . 1 . 2]" 1
1129 1 105 LYS HG2 1 106 PHE H 4.880 . 5.370 4.447 4.196 4.679 . 0 0 "[ . 1 . 2]" 1
1130 1 103 LYS HA 1 106 PHE H 3.910 . 4.300 3.445 3.027 3.839 . 0 0 "[ . 1 . 2]" 1
1131 1 106 PHE H 1 106 PHE QB . . 3.640 2.285 2.182 2.353 . 0 0 "[ . 1 . 2]" 1
1132 1 106 PHE H 1 107 THR MG 4.320 . 4.750 3.961 3.658 4.293 . 0 0 "[ . 1 . 2]" 1
1133 1 107 THR H 1 108 ILE MD 4.650 . 5.120 4.655 4.000 5.153 0.033 7 0 "[ . 1 . 2]" 1
1134 1 106 PHE H 1 107 THR H 3.600 . 3.960 2.522 2.284 2.705 . 0 0 "[ . 1 . 2]" 1
1135 1 106 PHE QB 1 107 THR H 4.160 . 4.580 2.668 2.262 3.021 . 0 0 "[ . 1 . 2]" 1
1136 1 107 THR H 1 107 THR HB 3.650 . 4.020 3.087 2.414 3.706 . 0 0 "[ . 1 . 2]" 1
1137 1 107 THR H 1 107 THR MG 4.060 . 4.470 2.185 2.007 2.524 . 0 0 "[ . 1 . 2]" 1
1138 1 107 THR H 1 108 ILE H 4.510 . 4.960 2.478 2.322 2.638 . 0 0 "[ . 1 . 2]" 1
1139 1 107 THR MG 1 108 ILE H 3.820 . 4.200 3.105 2.059 4.162 . 0 0 "[ . 1 . 2]" 1
1140 1 108 ILE H 1 108 ILE HG13 4.440 . 4.880 3.981 2.531 4.571 . 0 0 "[ . 1 . 2]" 1
1141 1 108 ILE H 1 108 ILE MD 3.990 . 4.390 3.152 2.543 4.368 . 0 0 "[ . 1 . 2]" 1
1142 1 108 ILE HA 1 109 LYS H 3.030 . 3.330 3.015 2.193 3.538 0.208 5 0 "[ . 1 . 2]" 1
1143 1 108 ILE HB 1 109 LYS H 4.730 . 5.200 3.587 1.958 4.501 . 0 0 "[ . 1 . 2]" 1
1144 1 107 THR MG 1 109 LYS H 5.440 . 5.980 3.408 1.764 6.025 0.045 3 0 "[ . 1 . 2]" 1
1145 1 108 ILE MG 1 109 LYS H 4.010 . 4.410 3.714 2.735 4.249 . 0 0 "[ . 1 . 2]" 1
1146 1 40 TYR HA 1 41 ASP H 3.200 . 3.520 2.225 2.144 2.308 . 0 0 "[ . 1 . 2]" 1
1147 1 7 ASN HA 1 8 ARG H 3.310 . 3.640 2.296 2.136 3.027 . 0 0 "[ . 1 . 2]" 1
1148 1 3 ARG H 1 3 ARG QB 3.690 . 4.060 2.566 2.198 3.286 . 0 0 "[ . 1 . 2]" 1
1149 1 3 ARG HA 1 3 ARG QD 4.610 . 5.070 3.156 1.955 4.290 . 0 0 "[ . 1 . 2]" 1
1150 1 5 SER H 1 5 SER QB 3.150 . 3.470 2.501 2.265 2.788 . 0 0 "[ . 1 . 2]" 1
1151 1 5 SER QB 1 6 LEU H 4.480 . 4.930 3.414 1.993 4.058 . 0 0 "[ . 1 . 2]" 1
1152 1 6 LEU H 1 6 LEU QB 3.630 . 3.990 2.391 2.119 2.594 . 0 0 "[ . 1 . 2]" 1
1153 1 6 LEU H 1 6 LEU QD 4.520 . 4.970 3.109 1.851 3.968 . 0 0 "[ . 1 . 2]" 1
1154 1 6 LEU HA 1 6 LEU QD 2.870 . 3.160 2.257 1.926 2.944 . 0 0 "[ . 1 . 2]" 1
1155 1 6 LEU QB 1 6 LEU QD 2.750 . 3.030 1.980 1.933 2.072 . 0 0 "[ . 1 . 2]" 1
1156 1 6 LEU QB 1 7 ASN H 4.110 . 4.520 3.287 2.302 3.990 . 0 0 "[ . 1 . 2]" 1
1157 1 6 LEU QD 1 7 ASN H 4.770 . 5.250 3.626 2.134 4.322 . 0 0 "[ . 1 . 2]" 1
1158 1 7 ASN H 1 7 ASN QB 3.520 . 3.870 2.587 2.230 3.160 . 0 0 "[ . 1 . 2]" 1
1159 1 9 ILE H 1 9 ILE QG 3.310 . 3.640 2.578 2.020 3.642 0.002 10 0 "[ . 1 . 2]" 1
1160 1 9 ILE MG 1 11 LYS QG 4.160 . 4.580 3.701 3.012 4.232 . 0 0 "[ . 1 . 2]" 1
1161 1 9 ILE MG 1 11 LYS QE 4.490 . 4.940 4.280 3.329 5.055 0.115 16 0 "[ . 1 . 2]" 1
1162 1 9 ILE QG 1 10 GLY H 4.740 . 5.210 4.328 3.917 4.748 . 0 0 "[ . 1 . 2]" 1
1163 1 10 GLY H 1 11 LYS QG 4.670 . 5.140 4.641 4.326 5.053 . 0 0 "[ . 1 . 2]" 1
1164 1 11 LYS H 1 11 LYS QG 4.080 . 4.490 3.196 2.747 3.693 . 0 0 "[ . 1 . 2]" 1
1165 1 11 LYS HA 1 11 LYS QG 3.590 . 3.950 2.428 2.276 2.575 . 0 0 "[ . 1 . 2]" 1
1166 1 11 LYS HB3 1 11 LYS QE 4.540 . 4.990 4.034 3.414 4.239 . 0 0 "[ . 1 . 2]" 1
1167 1 11 LYS QE 1 11 LYS QG 3.330 . 3.660 2.252 2.126 2.396 . 0 0 "[ . 1 . 2]" 1
1168 1 11 LYS QG 1 12 ASP H 4.740 . 5.210 3.793 3.269 4.189 . 0 0 "[ . 1 . 2]" 1
1169 1 12 ASP H 1 12 ASP QB 3.360 . 3.700 2.764 2.360 3.420 . 0 0 "[ . 1 . 2]" 1
1170 1 12 ASP QB 1 13 VAL H 4.100 . 4.510 3.825 3.514 3.996 . 0 0 "[ . 1 . 2]" 1
1171 1 12 ASP QB 1 14 TYR QE 3.810 . 4.190 3.539 2.483 4.226 0.036 8 0 "[ . 1 . 2]" 1
1172 1 12 ASP QB 1 72 VAL HB 4.510 . 4.960 4.434 3.699 4.806 . 0 0 "[ . 1 . 2]" 1
1173 1 13 VAL QG 1 42 GLU QB 5.340 . 5.870 4.172 3.337 5.328 . 0 0 "[ . 1 . 2]" 1
1174 1 13 VAL QG 1 69 ARG QB 4.400 . 4.840 3.926 3.645 4.198 . 0 0 "[ . 1 . 2]" 1
1175 1 13 VAL QG 1 70 LEU QB 5.340 . 5.870 4.436 3.916 4.906 . 0 0 "[ . 1 . 2]" 1
1176 1 13 VAL QG 1 69 ARG QD 5.320 . 5.850 2.762 2.047 3.634 . 0 0 "[ . 1 . 2]" 1
1177 1 14 TYR HB2 1 70 LEU QB 4.050 . 4.460 2.152 1.792 2.813 0.008 14 0 "[ . 1 . 2]" 1
1178 1 14 TYR HB3 1 70 LEU QB 4.790 . 5.270 3.483 3.186 4.046 . 0 0 "[ . 1 . 2]" 1
1179 1 14 TYR QE 1 41 ASP QB 4.760 . 5.240 3.246 2.369 4.805 . 0 0 "[ . 1 . 2]" 1
1180 1 14 TYR QE 1 47 LYS QB 4.190 . 4.610 3.484 2.325 4.418 . 0 0 "[ . 1 . 2]" 1
1181 1 14 TYR QE 1 47 LYS QG 3.820 . 4.200 2.739 1.798 4.210 0.010 10 0 "[ . 1 . 2]" 1
1182 1 14 TYR QE 1 47 LYS QE 5.340 . 5.870 3.093 1.771 5.069 0.029 17 0 "[ . 1 . 2]" 1
1183 1 14 TYR QD 1 47 LYS QB 3.990 . 4.390 3.365 2.820 3.940 . 0 0 "[ . 1 . 2]" 1
1184 1 15 TYR QD 1 69 ARG QD 5.180 . 5.700 4.257 3.397 5.023 . 0 0 "[ . 1 . 2]" 1
1185 1 15 TYR QE 1 69 ARG QB 4.320 . 4.750 3.273 2.543 3.982 . 0 0 "[ . 1 . 2]" 1
1186 1 15 TYR QE 1 69 ARG QD 3.360 . 3.700 2.915 1.855 3.700 0.000 8 0 "[ . 1 . 2]" 1
1187 1 15 TYR QE 1 41 ASP QB 5.340 . 5.870 5.109 4.505 5.866 . 0 0 "[ . 1 . 2]" 1
1188 1 15 TYR QE 1 42 GLU QB 3.780 . 4.160 3.291 2.087 4.330 0.170 11 0 "[ . 1 . 2]" 1
1189 1 15 TYR QE 1 99 PRO QB 5.250 . 5.780 4.565 4.135 4.897 . 0 0 "[ . 1 . 2]" 1
1190 1 15 TYR QE 1 99 PRO QG 3.850 . 4.230 2.820 2.541 3.112 . 0 0 "[ . 1 . 2]" 1
1191 1 15 TYR QD 1 99 PRO QG 5.250 . 5.780 3.862 3.432 4.195 . 0 0 "[ . 1 . 2]" 1
1192 1 15 TYR QD 1 99 PRO QD 4.270 . 4.700 3.550 3.366 3.735 . 0 0 "[ . 1 . 2]" 1
1193 1 16 MET H 1 68 LEU QB 3.750 . 4.130 3.201 2.584 3.620 . 0 0 "[ . 1 . 2]" 1
1194 1 16 MET HA 1 17 GLN QB 5.060 . 5.570 4.130 4.030 4.197 . 0 0 "[ . 1 . 2]" 1
1195 1 16 MET HB3 1 68 LEU QB 4.880 . 5.370 2.739 1.866 3.252 . 0 0 "[ . 1 . 2]" 1
1196 1 16 MET QG 1 17 GLN H 3.870 . 4.260 2.539 2.004 2.921 . 0 0 "[ . 1 . 2]" 1
1197 1 16 MET QG 1 37 LEU MD1 4.590 . 5.050 2.941 2.615 3.301 . 0 0 "[ . 1 . 2]" 1
1198 1 16 MET QG 1 39 ALA MB 4.460 . 4.910 3.042 2.623 3.717 . 0 0 "[ . 1 . 2]" 1
1199 1 17 GLN H 1 17 GLN QB 3.180 . 3.500 2.402 2.325 2.575 . 0 0 "[ . 1 . 2]" 1
1200 1 17 GLN H 1 17 GLN QG 4.430 . 4.870 4.043 4.012 4.131 . 0 0 "[ . 1 . 2]" 1
1201 1 17 GLN QB 1 67 PHE QD 4.100 . 4.510 2.759 2.335 3.263 . 0 0 "[ . 1 . 2]" 1
1202 1 17 GLN QB 1 106 PHE QB 5.340 . 5.870 4.504 3.611 5.194 . 0 0 "[ . 1 . 2]" 1
1203 1 17 GLN QB 1 106 PHE HE2 4.790 . 5.270 4.784 3.975 5.306 0.036 18 0 "[ . 1 . 2]" 1
1204 1 17 GLN QB 1 106 PHE HZ 5.030 . 5.530 3.448 3.016 4.005 . 0 0 "[ . 1 . 2]" 1
1205 1 17 GLN QB 1 106 PHE HE1 5.120 . 5.630 2.352 2.031 2.780 . 0 0 "[ . 1 . 2]" 1
1206 1 17 GLN QG 1 18 ILE H 3.680 . 4.050 2.815 2.451 3.299 . 0 0 "[ . 1 . 2]" 1
1207 1 17 GLN QG 1 67 PHE HA 4.550 . 5.010 3.418 2.871 3.984 . 0 0 "[ . 1 . 2]" 1
1208 1 17 GLN QG 1 67 PHE QD 4.710 . 5.180 3.549 3.161 3.901 . 0 0 "[ . 1 . 2]" 1
1209 1 17 GLN QE 1 65 TYR QB 3.710 . 4.080 3.328 2.547 4.182 0.102 3 0 "[ . 1 . 2]" 1
1210 1 18 ILE H 1 18 ILE QG 3.350 . 3.690 2.207 2.026 2.365 . 0 0 "[ . 1 . 2]" 1
1211 1 18 ILE MG 1 19 LYS QB 5.270 . 5.800 4.316 4.069 4.544 . 0 0 "[ . 1 . 2]" 1
1212 1 18 ILE QG 1 51 PHE HZ 5.340 . 5.870 4.422 3.749 5.416 . 0 0 "[ . 1 . 2]" 1
1213 1 18 ILE QG 1 62 LEU QD 4.650 . 5.120 2.570 1.954 2.908 . 0 0 "[ . 1 . 2]" 1
1214 1 18 ILE QG 1 68 LEU QD 3.330 . 3.660 2.416 1.959 3.161 . 0 0 "[ . 1 . 2]" 1
1215 1 19 LYS HA 1 19 LYS QG 3.540 . 3.890 2.644 2.400 2.985 . 0 0 "[ . 1 . 2]" 1
1216 1 19 LYS QB 1 20 GLY QA 4.750 . 5.220 4.195 3.773 4.444 . 0 0 "[ . 1 . 2]" 1
1217 1 19 LYS QB 1 37 LEU MD1 4.450 . 4.890 3.634 2.935 4.511 . 0 0 "[ . 1 . 2]" 1
1218 1 19 LYS QB 1 37 LEU MD2 3.490 . 3.840 2.559 1.816 3.729 . 0 0 "[ . 1 . 2]" 1
1219 1 20 GLY QA 1 22 GLY H 4.400 . 4.840 3.993 3.244 4.931 0.091 6 0 "[ . 1 . 2]" 1
1220 1 21 GLU H 1 21 GLU QB 3.550 . 3.900 2.728 2.216 3.359 . 0 0 "[ . 1 . 2]" 1
1221 1 21 GLU H 1 21 GLU QG 3.760 . 4.140 2.910 1.992 4.308 0.168 1 0 "[ . 1 . 2]" 1
1222 1 21 GLU HA 1 21 GLU QG 3.620 . 3.980 2.752 2.313 3.366 . 0 0 "[ . 1 . 2]" 1
1223 1 21 GLU QB 1 22 GLY H 4.190 . 4.610 2.946 1.885 3.877 . 0 0 "[ . 1 . 2]" 1
1224 1 21 GLU QG 1 22 GLY H 5.020 . 5.520 3.949 2.021 4.909 . 0 0 "[ . 1 . 2]" 1
1225 1 23 THR MG 1 34 ASN QD 4.150 . 4.570 3.455 2.264 4.394 . 0 0 "[ . 1 . 2]" 1
1226 1 24 ILE HA 1 31 ASN QB 5.340 . 5.870 4.797 4.331 5.154 . 0 0 "[ . 1 . 2]" 1
1227 1 24 ILE MG 1 31 ASN QB 3.310 . 3.640 2.170 1.809 2.759 . 0 0 "[ . 1 . 2]" 1
1228 1 24 ILE MG 1 31 ASN QD 4.070 . 4.480 2.881 1.788 3.889 0.012 14 0 "[ . 1 . 2]" 1
1229 1 24 ILE MD 1 31 ASN QB 3.940 . 4.330 3.382 2.359 4.061 . 0 0 "[ . 1 . 2]" 1
1230 1 24 ILE MD 1 31 ASN QD 4.790 . 5.270 4.028 3.286 4.931 . 0 0 "[ . 1 . 2]" 1
1231 1 25 GLU HA 1 25 GLU QG 3.490 . 3.840 2.445 2.350 2.558 . 0 0 "[ . 1 . 2]" 1
1232 1 25 GLU QB 1 26 LYS H 4.370 . 4.810 3.851 3.662 3.958 . 0 0 "[ . 1 . 2]" 1
1233 1 25 GLU QB 1 34 ASN QD 3.390 . 3.730 2.406 1.763 3.318 0.037 19 0 "[ . 1 . 2]" 1
1234 1 25 GLU QG 1 26 LYS H 3.880 . 4.270 3.015 2.599 3.290 . 0 0 "[ . 1 . 2]" 1
1235 1 25 GLU QG 1 32 LEU H 5.340 . 5.870 4.761 4.456 5.086 . 0 0 "[ . 1 . 2]" 1
1236 1 26 LYS QD 1 29 GLY HA3 4.430 . 4.870 3.692 3.161 4.236 . 0 0 "[ . 1 . 2]" 1
1237 1 26 LYS QD 1 30 ARG HA 4.130 . 4.540 4.442 3.978 4.612 0.072 15 0 "[ . 1 . 2]" 1
1238 1 26 LYS QD 1 31 ASN H 4.770 . 5.250 4.748 4.098 5.350 0.100 18 0 "[ . 1 . 2]" 1
1239 1 30 ARG HB2 1 30 ARG QD 3.350 . 3.690 2.453 2.279 2.835 . 0 0 "[ . 1 . 2]" 1
1240 1 30 ARG HB3 1 30 ARG QD 3.330 . 3.660 2.604 2.379 2.961 . 0 0 "[ . 1 . 2]" 1
1241 1 30 ARG QD 1 32 LEU MD2 3.860 . 4.250 3.754 2.733 4.276 0.026 1 0 "[ . 1 . 2]" 1
1242 1 31 ASN H 1 31 ASN QB 3.250 . 3.580 2.580 2.389 2.815 . 0 0 "[ . 1 . 2]" 1
1243 1 31 ASN QB 1 32 LEU H 4.140 . 4.550 3.578 3.476 3.655 . 0 0 "[ . 1 . 2]" 1
1244 1 33 ARG QB 1 35 TYR QE 4.880 . 5.370 3.485 2.171 4.762 . 0 0 "[ . 1 . 2]" 1
1245 1 34 ASN QB 1 35 TYR H 3.910 . 4.300 2.823 2.426 3.309 . 0 0 "[ . 1 . 2]" 1
1246 1 34 ASN QB 1 50 THR MG 3.810 . 4.190 2.581 2.089 3.301 . 0 0 "[ . 1 . 2]" 1
1247 1 35 TYR QB 1 36 THR H 4.420 . 4.860 3.234 2.870 3.301 . 0 0 "[ . 1 . 2]" 1
1248 1 35 TYR QB 1 37 LEU MD1 4.700 . 5.170 3.242 2.619 4.032 . 0 0 "[ . 1 . 2]" 1
1249 1 35 TYR QE 1 53 SER QB 3.980 . 4.380 2.854 1.783 3.754 0.017 11 0 "[ . 1 . 2]" 1
1250 1 36 THR MG 1 48 GLN QE 3.540 . 3.890 2.923 1.789 3.554 0.011 19 0 "[ . 1 . 2]" 1
1251 1 37 LEU H 1 48 GLN QG 4.910 . 5.400 3.840 3.271 4.648 . 0 0 "[ . 1 . 2]" 1
1252 1 37 LEU HB3 1 38 PRO QG 4.580 . 5.040 3.921 3.610 4.446 . 0 0 "[ . 1 . 2]" 1
1253 1 37 LEU MD2 1 38 PRO QG 4.220 . 4.640 4.116 3.816 4.426 . 0 0 "[ . 1 . 2]" 1
1254 1 38 PRO HB2 1 46 LYS QE 3.610 . 3.970 3.214 2.334 3.997 0.027 15 0 "[ . 1 . 2]" 1
1255 1 38 PRO HB3 1 46 LYS QG 4.370 . 4.810 3.735 2.817 4.542 . 0 0 "[ . 1 . 2]" 1
1256 1 38 PRO HB3 1 46 LYS QE 4.380 . 4.820 2.943 2.170 3.867 . 0 0 "[ . 1 . 2]" 1
1257 1 38 PRO QG 1 39 ALA H 4.650 . 5.120 4.591 4.419 4.807 . 0 0 "[ . 1 . 2]" 1
1258 1 38 PRO QG 1 40 TYR QE 4.950 . 5.440 4.106 3.362 5.286 . 0 0 "[ . 1 . 2]" 1
1259 1 38 PRO QG 1 46 LYS QE 4.330 . 4.760 3.799 2.853 4.749 . 0 0 "[ . 1 . 2]" 1
1260 1 39 ALA H 1 46 LYS QG 4.590 . 5.050 4.113 3.703 4.658 . 0 0 "[ . 1 . 2]" 1
1261 1 39 ALA H 1 47 LYS QB 5.340 . 5.870 3.640 3.017 4.261 . 0 0 "[ . 1 . 2]" 1
1262 1 40 TYR QD 1 46 LYS QG 5.340 . 5.870 4.045 3.741 4.366 . 0 0 "[ . 1 . 2]" 1
1263 1 40 TYR QD 1 46 LYS QD 5.340 . 5.870 4.876 4.151 5.405 . 0 0 "[ . 1 . 2]" 1
1264 1 40 TYR QD 1 105 LYS QE 3.080 . 3.390 2.889 2.034 3.399 0.009 4 0 "[ . 1 . 2]" 1
1265 1 40 TYR QE 1 46 LYS QG 4.430 . 4.870 3.132 2.675 3.622 . 0 0 "[ . 1 . 2]" 1
1266 1 40 TYR QE 1 105 LYS QE 3.630 . 3.990 2.502 2.023 3.457 . 0 0 "[ . 1 . 2]" 1
1267 1 41 ASP QB 1 42 GLU H 2.980 . 3.280 2.286 1.834 3.295 0.015 9 0 "[ . 1 . 2]" 1
1268 1 41 ASP QB 1 42 GLU HA 4.720 . 5.190 4.579 4.362 5.067 . 0 0 "[ . 1 . 2]" 1
1269 1 41 ASP QB 1 43 ASP H 3.670 . 4.040 3.162 2.504 4.028 . 0 0 "[ . 1 . 2]" 1
1270 1 41 ASP QB 1 44 GLY H 4.230 . 4.650 3.719 2.850 4.077 . 0 0 "[ . 1 . 2]" 1
1271 1 42 GLU H 1 42 GLU QB 3.280 . 3.610 2.342 2.081 2.578 . 0 0 "[ . 1 . 2]" 1
1272 1 42 GLU H 1 42 GLU QG 4.090 . 4.500 3.148 1.944 4.047 . 0 0 "[ . 1 . 2]" 1
1273 1 42 GLU HA 1 42 GLU QG 3.520 . 3.870 2.849 2.300 3.532 . 0 0 "[ . 1 . 2]" 1
1274 1 42 GLU HA 1 99 PRO QB 3.740 . 4.110 3.910 3.065 4.148 0.038 5 0 "[ . 1 . 2]" 1
1275 1 42 GLU HA 1 99 PRO QG 3.740 . 4.110 2.553 1.901 2.943 . 0 0 "[ . 1 . 2]" 1
1276 1 42 GLU QG 1 43 ASP H 4.390 . 4.830 3.441 2.007 4.580 . 0 0 "[ . 1 . 2]" 1
1277 1 43 ASP H 1 43 ASP QB 2.910 . 3.200 2.306 2.261 2.433 . 0 0 "[ . 1 . 2]" 1
1278 1 43 ASP QB 1 44 GLY H 3.750 . 4.130 3.050 2.783 3.589 . 0 0 "[ . 1 . 2]" 1
1279 1 43 ASP QB 1 45 VAL H 4.070 . 4.480 3.223 2.981 3.632 . 0 0 "[ . 1 . 2]" 1
1280 1 44 GLY HA3 1 105 LYS QD 5.340 . 5.870 3.415 2.703 4.213 . 0 0 "[ . 1 . 2]" 1
1281 1 44 GLY HA2 1 105 LYS QE 4.740 . 5.210 4.184 3.259 5.067 . 0 0 "[ . 1 . 2]" 1
1282 1 45 VAL MG1 1 47 LYS QG 3.560 . 3.920 2.872 2.208 3.926 0.006 1 0 "[ . 1 . 2]" 1
1283 1 46 LYS H 1 46 LYS QG 4.850 . 5.330 3.998 3.979 4.017 . 0 0 "[ . 1 . 2]" 1
1284 1 46 LYS H 1 105 LYS QE 5.170 . 5.690 4.217 3.524 4.688 . 0 0 "[ . 1 . 2]" 1
1285 1 46 LYS HA 1 46 LYS QG 3.290 . 3.620 2.417 2.347 2.504 . 0 0 "[ . 1 . 2]" 1
1286 1 46 LYS HB2 1 46 LYS QE 4.300 . 4.730 3.967 3.902 4.022 . 0 0 "[ . 1 . 2]" 1
1287 1 46 LYS QE 1 46 LYS QG 3.330 . 3.660 2.183 2.125 2.353 . 0 0 "[ . 1 . 2]" 1
1288 1 46 LYS QG 1 47 LYS H 3.600 . 3.960 3.118 2.425 3.446 . 0 0 "[ . 1 . 2]" 1
1289 1 46 LYS QE 1 47 LYS H 5.340 . 5.870 5.170 4.268 5.851 . 0 0 "[ . 1 . 2]" 1
1290 1 47 LYS H 1 47 LYS QB 3.540 . 3.890 2.580 2.481 2.758 . 0 0 "[ . 1 . 2]" 1
1291 1 47 LYS HA 1 47 LYS QG 3.420 . 3.760 2.785 2.467 3.067 . 0 0 "[ . 1 . 2]" 1
1292 1 47 LYS QB 1 48 GLN H 3.600 . 3.960 2.629 2.312 3.225 . 0 0 "[ . 1 . 2]" 1
1293 1 47 LYS QG 1 48 GLN H 4.410 . 4.850 4.285 3.945 4.538 . 0 0 "[ . 1 . 2]" 1
1294 1 48 GLN H 1 48 GLN QG 4.180 . 4.600 4.090 4.014 4.168 . 0 0 "[ . 1 . 2]" 1
1295 1 48 GLN H 1 49 ILE QG 5.340 . 5.870 3.977 3.380 4.434 . 0 0 "[ . 1 . 2]" 1
1296 1 48 GLN HA 1 48 GLN QG 3.650 . 4.020 2.414 2.359 2.458 . 0 0 "[ . 1 . 2]" 1
1297 1 48 GLN QB 1 48 GLN QE 3.860 . 4.250 2.737 1.792 3.490 0.008 11 0 "[ . 1 . 2]" 1
1298 1 48 GLN QG 1 49 ILE H 3.840 . 4.220 2.975 2.736 3.246 . 0 0 "[ . 1 . 2]" 1
1299 1 49 ILE H 1 49 ILE QG 4.640 . 5.100 2.779 2.552 2.933 . 0 0 "[ . 1 . 2]" 1
1300 1 49 ILE HA 1 49 ILE QG 3.620 . 3.980 2.384 2.333 2.418 . 0 0 "[ . 1 . 2]" 1
1301 1 52 ARG HA 1 52 ARG QG 3.740 . 4.110 2.925 2.303 3.508 . 0 0 "[ . 1 . 2]" 1
1302 1 52 ARG QB 1 53 SER H 4.080 . 4.490 3.027 1.874 4.050 . 0 0 "[ . 1 . 2]" 1
1303 1 52 ARG QG 1 53 SER H 4.100 . 4.510 3.289 2.016 3.969 . 0 0 "[ . 1 . 2]" 1
1304 1 53 SER H 1 53 SER QB 3.660 . 4.030 2.647 2.268 3.390 . 0 0 "[ . 1 . 2]" 1
1305 1 53 SER QB 1 62 LEU QD 4.590 . 5.050 3.953 2.191 4.974 . 0 0 "[ . 1 . 2]" 1
1306 1 63 ASN HA 1 64 LYS QB 4.450 . 4.890 4.375 3.762 4.690 . 0 0 "[ . 1 . 2]" 1
1307 1 63 ASN QB 1 64 LYS H 3.940 . 4.330 3.173 2.268 3.895 . 0 0 "[ . 1 . 2]" 1
1308 1 63 ASN QB 1 66 ALA H 5.070 . 5.580 3.806 2.464 4.779 . 0 0 "[ . 1 . 2]" 1
1309 1 63 ASN QB 1 66 ALA MB 3.480 . 3.830 2.057 1.746 2.751 0.054 8 0 "[ . 1 . 2]" 1
1310 1 63 ASN QD 1 66 ALA HA 5.140 . 5.650 4.664 3.352 5.707 0.057 4 0 "[ . 1 . 2]" 1
1311 1 63 ASN QD 1 66 ALA MB 4.670 . 5.140 2.721 1.776 4.102 0.024 20 0 "[ . 1 . 2]" 1
1312 1 64 LYS H 1 64 LYS QG 4.430 . 4.870 2.899 1.878 4.474 . 0 0 "[ . 1 . 2]" 1
1313 1 64 LYS QB 1 65 TYR H 4.070 . 4.480 3.139 2.014 4.015 . 0 0 "[ . 1 . 2]" 1
1314 1 64 LYS QE 1 64 LYS QG 3.290 . 3.620 2.367 2.134 2.777 . 0 0 "[ . 1 . 2]" 1
1315 1 65 TYR QB 1 65 TYR HE2 4.470 . 4.920 4.397 4.361 4.432 . 0 0 "[ . 1 . 2]" 1
1316 1 66 ALA MB 1 92 GLU QG 3.870 . 4.260 2.882 2.284 4.021 . 0 0 "[ . 1 . 2]" 1
1317 1 67 PHE H 1 92 GLU QG 5.070 . 5.580 4.023 3.272 5.256 . 0 0 "[ . 1 . 2]" 1
1318 1 67 PHE QD 1 95 LYS QG 5.300 . 5.830 4.761 3.401 5.375 . 0 0 "[ . 1 . 2]" 1
1319 1 68 LEU H 1 68 LEU QB 3.290 . 3.620 2.582 2.497 2.673 . 0 0 "[ . 1 . 2]" 1
1320 1 68 LEU HA 1 92 GLU QG 5.160 . 5.680 4.234 3.796 4.602 . 0 0 "[ . 1 . 2]" 1
1321 1 68 LEU QB 1 69 ARG H 3.870 . 4.260 2.710 2.530 2.851 . 0 0 "[ . 1 . 2]" 1
1322 1 68 LEU QB 1 90 TYR QD 5.130 . 5.640 3.192 2.704 3.903 . 0 0 "[ . 1 . 2]" 1
1323 1 69 ARG H 1 69 ARG QB 3.550 . 3.900 2.421 2.363 2.476 . 0 0 "[ . 1 . 2]" 1
1324 1 69 ARG H 1 91 GLU QB 4.550 . 5.010 3.626 3.044 4.577 . 0 0 "[ . 1 . 2]" 1
1325 1 69 ARG H 1 91 GLU QG 4.890 . 5.380 4.158 2.862 4.784 . 0 0 "[ . 1 . 2]" 1
1326 1 69 ARG QB 1 69 ARG QD 3.310 . 3.640 2.250 2.078 2.368 . 0 0 "[ . 1 . 2]" 1
1327 1 69 ARG QB 1 70 LEU H 4.280 . 4.710 3.862 3.838 3.904 . 0 0 "[ . 1 . 2]" 1
1328 1 69 ARG QB 1 91 GLU QG 4.220 . 4.640 3.460 1.902 4.409 . 0 0 "[ . 1 . 2]" 1
1329 1 69 ARG QB 1 93 ILE MD 3.620 . 3.980 1.816 1.763 2.078 0.037 17 0 "[ . 1 . 2]" 1
1330 1 69 ARG QD 1 93 ILE MG 5.000 . 5.500 3.087 2.222 3.770 . 0 0 "[ . 1 . 2]" 1
1331 1 70 LEU QB 1 71 TYR H 3.760 . 4.140 2.903 2.737 3.179 . 0 0 "[ . 1 . 2]" 1
1332 1 70 LEU QB 1 87 VAL QG 3.420 . 3.760 2.040 1.678 2.305 0.122 9 0 "[ . 1 . 2]" 1
1333 1 71 TYR HB2 1 88 LYS QB 5.340 . 5.870 5.052 4.221 5.405 . 0 0 "[ . 1 . 2]" 1
1334 1 71 TYR HB2 1 89 SER QB 4.360 . 4.800 2.986 2.445 3.544 . 0 0 "[ . 1 . 2]" 1
1335 1 71 TYR HB3 1 88 LYS QB 5.340 . 5.870 5.608 4.917 5.930 0.060 4 0 "[ . 1 . 2]" 1
1336 1 71 TYR HB3 1 89 SER QB 5.180 . 5.700 4.395 3.757 5.048 . 0 0 "[ . 1 . 2]" 1
1337 1 71 TYR QD 1 89 SER QB 4.140 . 4.550 2.976 2.241 3.993 . 0 0 "[ . 1 . 2]" 1
1338 1 72 VAL QG 1 73 ASP QB 5.030 . 5.530 3.853 3.519 4.240 . 0 0 "[ . 1 . 2]" 1
1339 1 73 ASP H 1 73 ASP QB 3.370 . 3.710 2.596 2.391 3.085 . 0 0 "[ . 1 . 2]" 1
1340 1 73 ASP QB 1 74 GLN H 4.190 . 4.610 3.491 2.553 3.892 . 0 0 "[ . 1 . 2]" 1
1341 1 73 ASP QB 1 88 LYS HG2 3.910 . 4.300 3.205 2.381 4.071 . 0 0 "[ . 1 . 2]" 1
1342 1 73 ASP QB 1 88 LYS HG3 5.030 . 5.530 4.300 3.130 5.030 . 0 0 "[ . 1 . 2]" 1
1343 1 75 ASP H 1 75 ASP QB 3.610 . 3.970 2.395 2.211 2.755 . 0 0 "[ . 1 . 2]" 1
1344 1 75 ASP QB 1 76 ASP H 3.870 . 4.260 2.779 2.362 3.773 . 0 0 "[ . 1 . 2]" 1
1345 1 76 ASP H 1 76 ASP QB 3.350 . 3.690 2.789 2.227 3.389 . 0 0 "[ . 1 . 2]" 1
1346 1 77 ASN H 1 77 ASN QB 3.560 . 3.920 2.607 2.275 3.397 . 0 0 "[ . 1 . 2]" 1
1347 1 82 ILE HA 1 82 ILE QG 3.550 . 3.900 2.585 2.388 3.017 . 0 0 "[ . 1 . 2]" 1
1348 1 82 ILE MG 1 83 SER QB 4.340 . 4.770 4.352 3.382 4.835 0.065 10 0 "[ . 1 . 2]" 1
1349 1 83 SER QB 1 84 SER H 3.720 . 4.090 3.237 2.259 4.027 . 0 0 "[ . 1 . 2]" 1
1350 1 84 SER H 1 84 SER QB 3.560 . 3.920 2.638 2.254 3.275 . 0 0 "[ . 1 . 2]" 1
1351 1 85 ILE HA 1 85 ILE QG 3.540 . 3.890 2.856 2.334 3.334 . 0 0 "[ . 1 . 2]" 1
1352 1 88 LYS H 1 88 LYS QB 3.440 . 3.780 2.689 2.534 2.910 . 0 0 "[ . 1 . 2]" 1
1353 1 88 LYS QB 1 89 SER H 3.700 . 4.070 3.628 3.493 3.821 . 0 0 "[ . 1 . 2]" 1
1354 1 88 LYS HG2 1 89 SER QB 5.040 . 5.540 4.460 4.090 4.894 . 0 0 "[ . 1 . 2]" 1
1355 1 88 LYS HG3 1 89 SER QB 4.900 . 5.390 3.224 2.718 4.073 . 0 0 "[ . 1 . 2]" 1
1356 1 89 SER H 1 89 SER QB 3.450 . 3.790 2.915 2.780 2.997 . 0 0 "[ . 1 . 2]" 1
1357 1 89 SER QB 1 90 TYR H 3.780 . 4.160 3.037 2.395 3.472 . 0 0 "[ . 1 . 2]" 1
1358 1 89 SER QB 1 90 TYR QD 5.270 . 5.800 4.905 4.486 5.247 . 0 0 "[ . 1 . 2]" 1
1359 1 91 GLU H 1 91 GLU QG 4.240 . 4.660 3.676 2.087 4.222 . 0 0 "[ . 1 . 2]" 1
1360 1 91 GLU HA 1 92 GLU QB 4.540 . 4.990 4.101 4.019 4.164 . 0 0 "[ . 1 . 2]" 1
1361 1 91 GLU QB 1 92 GLU H 3.910 . 4.300 3.328 2.459 3.721 . 0 0 "[ . 1 . 2]" 1
1362 1 91 GLU QB 1 93 ILE MG 3.910 . 4.300 3.126 2.264 3.679 . 0 0 "[ . 1 . 2]" 1
1363 1 91 GLU QG 1 92 GLU H 4.480 . 4.930 2.808 2.137 4.072 . 0 0 "[ . 1 . 2]" 1
1364 1 91 GLU QG 1 93 ILE MG 3.980 . 4.380 2.553 1.985 4.028 . 0 0 "[ . 1 . 2]" 1
1365 1 92 GLU H 1 92 GLU QG 4.200 . 4.620 4.021 3.989 4.037 . 0 0 "[ . 1 . 2]" 1
1366 1 92 GLU QB 1 93 ILE H 3.860 . 4.250 3.842 3.733 3.938 . 0 0 "[ . 1 . 2]" 1
1367 1 93 ILE HA 1 94 GLN QE 4.510 . 4.960 4.213 2.718 4.991 0.031 8 0 "[ . 1 . 2]" 1
1368 1 93 ILE MG 1 94 GLN QE 4.780 . 5.260 4.646 3.696 5.316 0.056 2 0 "[ . 1 . 2]" 1
1369 1 94 GLN QE 1 96 ALA MB 5.020 . 5.520 3.576 2.570 5.184 . 0 0 "[ . 1 . 2]" 1
1370 1 95 LYS H 1 95 LYS QB 2.880 . 3.170 2.235 2.194 2.273 . 0 0 "[ . 1 . 2]" 1
1371 1 95 LYS H 1 95 LYS QG 4.000 . 4.400 3.977 3.929 3.997 . 0 0 "[ . 1 . 2]" 1
1372 1 95 LYS HA 1 95 LYS QG 3.330 . 3.660 2.458 2.401 2.537 . 0 0 "[ . 1 . 2]" 1
1373 1 95 LYS QB 1 96 ALA H 3.230 . 3.550 2.834 2.668 3.087 . 0 0 "[ . 1 . 2]" 1
1374 1 95 LYS QB 1 96 ALA HA 4.840 . 5.320 4.211 4.103 4.311 . 0 0 "[ . 1 . 2]" 1
1375 1 95 LYS QB 1 96 ALA MB 4.130 . 4.540 4.013 3.856 4.278 . 0 0 "[ . 1 . 2]" 1
1376 1 95 LYS QE 1 95 LYS QG 3.250 . 3.580 2.323 2.157 2.889 . 0 0 "[ . 1 . 2]" 1
1377 1 95 LYS QG 1 96 ALA H 4.640 . 5.100 3.910 3.648 4.143 . 0 0 "[ . 1 . 2]" 1
1378 1 95 LYS QG 1 98 LEU QD 3.410 . 3.750 2.419 1.979 3.287 . 0 0 "[ . 1 . 2]" 1
1379 1 96 ALA HA 1 103 LYS QE 4.560 . 5.020 4.017 3.105 5.023 0.003 19 0 "[ . 1 . 2]" 1
1380 1 98 LEU HA 1 99 PRO QG 4.370 . 4.810 3.847 3.724 4.016 . 0 0 "[ . 1 . 2]" 1
1381 1 98 LEU HA 1 99 PRO QD 3.200 . 3.520 1.935 1.820 2.112 . 0 0 "[ . 1 . 2]" 1
1382 1 98 LEU HB3 1 99 PRO QD 3.820 . 4.200 3.005 2.296 3.471 . 0 0 "[ . 1 . 2]" 1
1383 1 98 LEU QD 1 103 LYS QE 5.000 . 5.500 4.299 3.503 5.204 . 0 0 "[ . 1 . 2]" 1
1384 1 99 PRO QB 1 100 GLU H 3.540 . 3.890 2.729 2.461 3.007 . 0 0 "[ . 1 . 2]" 1
1385 1 99 PRO QB 1 101 LYS H 4.120 . 4.530 2.864 2.351 3.250 . 0 0 "[ . 1 . 2]" 1
1386 1 99 PRO QB 1 102 VAL H 4.380 . 4.820 3.193 2.200 3.513 . 0 0 "[ . 1 . 2]" 1
1387 1 99 PRO QB 1 102 VAL QG 3.930 . 4.320 3.269 2.344 3.501 . 0 0 "[ . 1 . 2]" 1
1388 1 99 PRO QG 1 101 LYS H 3.840 . 4.220 4.072 3.381 4.376 0.156 18 0 "[ . 1 . 2]" 1
1389 1 99 PRO QG 1 102 VAL H 4.430 . 4.870 2.894 2.439 3.762 . 0 0 "[ . 1 . 2]" 1
1390 1 99 PRO QG 1 102 VAL QG 3.340 . 3.670 1.917 1.817 2.232 . 0 0 "[ . 1 . 2]" 1
1391 1 99 PRO QD 1 102 VAL H 5.300 . 5.830 4.248 3.826 4.644 . 0 0 "[ . 1 . 2]" 1
1392 1 99 PRO QD 1 102 VAL HB 3.880 . 4.270 2.595 2.075 3.092 . 0 0 "[ . 1 . 2]" 1
1393 1 99 PRO QD 1 102 VAL QG . . 3.730 2.487 2.089 2.873 . 0 0 "[ . 1 . 2]" 1
1394 1 100 GLU HA 1 103 LYS QE 4.070 . 4.480 2.668 1.762 4.098 0.038 12 0 "[ . 1 . 2]" 1
1395 1 100 GLU HG3 1 103 LYS QE 4.600 . 5.060 4.147 2.680 5.094 0.034 3 0 "[ . 1 . 2]" 1
1396 1 101 LYS HA 1 101 LYS QG 3.140 . 3.450 2.980 2.862 3.150 . 0 0 "[ . 1 . 2]" 1
1397 1 101 LYS HA 1 101 LYS QE 4.520 . 4.970 2.694 2.128 3.410 . 0 0 "[ . 1 . 2]" 1
1398 1 101 LYS HB2 1 101 LYS QG 2.600 . 2.860 2.169 2.161 2.174 . 0 0 "[ . 1 . 2]" 1
1399 1 101 LYS HB3 1 101 LYS QE 2.400 . 2.640 2.044 1.970 2.196 . 0 0 "[ . 1 . 2]" 1
1400 1 101 LYS QG 1 102 VAL H 4.540 . 4.990 4.017 3.669 4.222 . 0 0 "[ . 1 . 2]" 1
1401 1 102 VAL HA 1 105 LYS QD 5.340 . 5.870 4.681 4.203 5.217 . 0 0 "[ . 1 . 2]" 1
1402 1 103 LYS HB3 1 103 LYS QE 2.990 . 3.290 2.212 1.890 3.040 . 0 0 "[ . 1 . 2]" 1
1403 1 103 LYS QE 1 103 LYS HG2 3.010 . 3.310 2.554 2.382 2.989 . 0 0 "[ . 1 . 2]" 1
1404 1 103 LYS QE 1 103 LYS HG3 3.460 . 3.810 3.389 3.321 3.503 . 0 0 "[ . 1 . 2]" 1
1405 1 103 LYS HD3 1 103 LYS QE 2.540 . 2.790 2.310 2.174 2.395 . 0 0 "[ . 1 . 2]" 1
1406 1 105 LYS H 1 105 LYS QD 4.240 . 4.660 3.402 3.003 3.656 . 0 0 "[ . 1 . 2]" 1
1407 1 105 LYS HA 1 105 LYS QD 3.150 . 3.470 2.063 1.950 2.211 . 0 0 "[ . 1 . 2]" 1
1408 1 105 LYS HB3 1 105 LYS QE 4.050 . 4.460 2.065 1.992 2.155 . 0 0 "[ . 1 . 2]" 1
1409 1 106 PHE QB 1 108 ILE QG 5.340 . 5.870 5.038 4.542 5.304 . 0 0 "[ . 1 . 2]" 1
1410 1 107 THR HA 1 108 ILE QG 4.850 . 5.330 3.784 3.415 4.104 . 0 0 "[ . 1 . 2]" 1
1411 1 108 ILE H 1 108 ILE QG 3.750 . 4.130 2.801 2.418 3.044 . 0 0 "[ . 1 . 2]" 1
1412 1 108 ILE HB 1 109 LYS QB 4.710 . 5.180 4.418 3.583 5.544 0.364 3 0 "[ . 1 . 2]" 1
1413 1 108 ILE QG 1 109 LYS H 5.340 . 5.870 4.382 3.747 4.929 . 0 0 "[ . 1 . 2]" 1
1414 1 109 LYS H 1 109 LYS QB 3.350 . 3.690 2.661 2.219 3.392 . 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 38
_Distance_constraint_stats_list.Viol_count 73
_Distance_constraint_stats_list.Viol_total 40.205
_Distance_constraint_stats_list.Viol_max 0.229
_Distance_constraint_stats_list.Viol_rms 0.0127
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0275
_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 14 TYR 0.213 0.057 4 0 "[ . 1 . 2]"
1 15 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 MET 0.070 0.029 1 0 "[ . 1 . 2]"
1 25 GLU 0.075 0.028 15 0 "[ . 1 . 2]"
1 27 VAL 0.010 0.010 10 0 "[ . 1 . 2]"
1 30 ARG 0.010 0.010 10 0 "[ . 1 . 2]"
1 32 LEU 0.075 0.028 15 0 "[ . 1 . 2]"
1 37 LEU 0.010 0.010 13 0 "[ . 1 . 2]"
1 39 ALA 0.043 0.015 17 0 "[ . 1 . 2]"
1 40 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.185 0.048 6 0 "[ . 1 . 2]"
1 44 GLY 0.185 0.048 6 0 "[ . 1 . 2]"
1 47 LYS 0.043 0.015 17 0 "[ . 1 . 2]"
1 49 ILE 0.010 0.010 13 0 "[ . 1 . 2]"
1 68 LEU 0.070 0.029 1 0 "[ . 1 . 2]"
1 69 ARG 0.109 0.029 20 0 "[ . 1 . 2]"
1 70 LEU 0.213 0.057 4 0 "[ . 1 . 2]"
1 71 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLU 0.109 0.029 20 0 "[ . 1 . 2]"
1 101 LYS 0.864 0.229 13 0 "[ . 1 . 2]"
1 102 VAL 0.244 0.072 13 0 "[ . 1 . 2]"
1 103 LYS 0.136 0.051 8 0 "[ . 1 . 2]"
1 104 ASP 0.049 0.023 8 0 "[ . 1 . 2]"
1 105 LYS 0.864 0.229 13 0 "[ . 1 . 2]"
1 106 PHE 0.244 0.072 13 0 "[ . 1 . 2]"
1 107 THR 0.136 0.051 8 0 "[ . 1 . 2]"
1 108 ILE 0.049 0.023 8 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 14 TYR O 1 70 LEU N 3.200 . 3.520 2.756 2.705 2.854 . 0 0 "[ . 1 . 2]" 2
2 1 14 TYR O 1 70 LEU H 2.100 . 2.310 1.816 1.777 1.929 0.023 20 0 "[ . 1 . 2]" 2
3 1 16 MET O 1 68 LEU N 3.200 . 3.520 2.746 2.541 2.861 . 0 0 "[ . 1 . 2]" 2
4 1 16 MET O 1 68 LEU H 2.100 . 2.310 1.829 1.771 1.905 0.029 1 0 "[ . 1 . 2]" 2
5 1 25 GLU O 1 32 LEU N 3.100 . 3.410 2.902 2.760 3.095 . 0 0 "[ . 1 . 2]" 2
6 1 25 GLU O 1 32 LEU H 2.000 . 2.200 1.977 1.865 2.213 0.013 11 0 "[ . 1 . 2]" 2
7 1 27 VAL O 1 30 ARG N 3.100 . 3.410 2.903 2.749 3.046 . 0 0 "[ . 1 . 2]" 2
8 1 27 VAL O 1 30 ARG H 2.000 . 2.200 2.003 1.902 2.210 0.010 10 0 "[ . 1 . 2]" 2
9 1 25 GLU N 1 32 LEU O 3.100 . 3.410 2.911 2.729 3.206 . 0 0 "[ . 1 . 2]" 2
10 1 25 GLU H 1 32 LEU O 2.000 . 2.200 1.989 1.837 2.228 0.028 15 0 "[ . 1 . 2]" 2
11 1 27 VAL N 1 30 ARG O 3.100 . 3.410 2.831 2.743 2.978 . 0 0 "[ . 1 . 2]" 2
12 1 27 VAL H 1 30 ARG O 2.000 . 2.200 1.998 1.843 2.171 . 0 0 "[ . 1 . 2]" 2
13 1 37 LEU O 1 49 ILE N 3.200 . 3.520 2.965 2.737 3.243 . 0 0 "[ . 1 . 2]" 2
14 1 37 LEU O 1 49 ILE H 2.100 . 2.310 2.043 1.877 2.320 0.010 13 0 "[ . 1 . 2]" 2
15 1 39 ALA O 1 47 LYS N 3.200 . 3.520 2.813 2.661 3.018 . 0 0 "[ . 1 . 2]" 2
16 1 39 ALA O 1 47 LYS H 2.100 . 2.310 1.892 1.785 2.184 0.015 17 0 "[ . 1 . 2]" 2
17 1 15 TYR N 1 40 TYR O 3.200 . 3.520 2.755 2.678 2.894 . 0 0 "[ . 1 . 2]" 2
18 1 15 TYR H 1 40 TYR O 2.100 . 2.310 1.871 1.802 1.953 . 0 0 "[ . 1 . 2]" 2
19 1 41 ASP O 1 44 GLY N 3.200 . 3.520 2.839 2.698 3.092 . 0 0 "[ . 1 . 2]" 2
20 1 41 ASP O 1 44 GLY H 2.100 . 2.310 2.101 1.801 2.358 0.048 6 0 "[ . 1 . 2]" 2
21 1 39 ALA N 1 47 LYS O 3.200 . 3.520 2.795 2.721 2.929 . 0 0 "[ . 1 . 2]" 2
22 1 39 ALA H 1 47 LYS O 2.100 . 2.310 1.860 1.796 2.005 0.004 19 0 "[ . 1 . 2]" 2
23 1 37 LEU N 1 49 ILE O 3.200 . 3.520 3.016 2.908 3.216 . 0 0 "[ . 1 . 2]" 2
24 1 37 LEU H 1 49 ILE O 2.100 . 2.310 2.065 1.953 2.305 . 0 0 "[ . 1 . 2]" 2
25 1 16 MET N 1 68 LEU O 3.200 . 3.520 2.963 2.847 3.111 . 0 0 "[ . 1 . 2]" 2
26 1 16 MET H 1 68 LEU O 2.100 . 2.310 2.023 1.896 2.154 . 0 0 "[ . 1 . 2]" 2
27 1 69 ARG O 1 91 GLU N 3.200 . 3.520 2.895 2.695 3.113 . 0 0 "[ . 1 . 2]" 2
28 1 69 ARG O 1 91 GLU H 2.100 . 2.310 2.011 1.827 2.190 . 0 0 "[ . 1 . 2]" 2
29 1 14 TYR N 1 70 LEU O 3.200 . 3.520 3.087 2.885 3.300 . 0 0 "[ . 1 . 2]" 2
30 1 14 TYR H 1 70 LEU O 2.100 . 2.310 2.141 1.914 2.367 0.057 4 0 "[ . 1 . 2]" 2
31 1 71 TYR N 1 89 SER O 3.200 . 3.520 2.865 2.788 3.044 . 0 0 "[ . 1 . 2]" 2
32 1 71 TYR H 1 89 SER O 2.100 . 2.310 1.916 1.817 2.098 . 0 0 "[ . 1 . 2]" 2
33 1 69 ARG N 1 91 GLU O 3.200 . 3.520 2.777 2.613 2.854 . 0 0 "[ . 1 . 2]" 2
34 1 69 ARG H 1 91 GLU O 2.100 . 2.310 1.832 1.771 1.910 0.029 20 0 "[ . 1 . 2]" 2
35 1 101 LYS O 1 105 LYS H 2.000 . 2.200 2.228 2.059 2.429 0.229 13 0 "[ . 1 . 2]" 2
36 1 102 VAL O 1 106 PHE H 2.000 . 2.200 2.175 1.948 2.272 0.072 13 0 "[ . 1 . 2]" 2
37 1 103 LYS O 1 107 THR H 2.000 . 2.200 2.031 1.860 2.251 0.051 8 0 "[ . 1 . 2]" 2
38 1 104 ASP O 1 108 ILE H 2.000 . 2.200 2.016 1.823 2.223 0.023 8 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, May 19, 2024 3:50:55 PM GMT (wattos1)