NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
548554 |
2lxf   |
18673 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lxf
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 1189
_Distance_constraint_stats_list.Viol_count 832
_Distance_constraint_stats_list.Viol_total 124.427
_Distance_constraint_stats_list.Viol_max 0.124
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0075
_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 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.263 0.058 1 0 "[ . 1 . 2]"
1 12 LEU 0.155 0.019 9 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.006 0.006 9 0 "[ . 1 . 2]"
1 15 GLN 0.175 0.053 15 0 "[ . 1 . 2]"
1 16 THR 0.133 0.053 15 0 "[ . 1 . 2]"
1 17 GLN 0.011 0.011 6 0 "[ . 1 . 2]"
1 18 GLY 0.018 0.011 6 0 "[ . 1 . 2]"
1 19 PRO 0.093 0.014 20 0 "[ . 1 . 2]"
1 20 GLY 0.087 0.014 20 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.018 0.015 12 0 "[ . 1 . 2]"
1 26 MET 0.075 0.027 16 0 "[ . 1 . 2]"
1 27 PRO 0.097 0.027 16 0 "[ . 1 . 2]"
1 28 SER 0.039 0.016 1 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.268 0.023 8 0 "[ . 1 . 2]"
1 34 THR 0.269 0.023 8 0 "[ . 1 . 2]"
1 35 THR 0.278 0.033 10 0 "[ . 1 . 2]"
1 36 LEU 0.112 0.010 1 0 "[ . 1 . 2]"
1 37 CYS 0.282 0.022 10 0 "[ . 1 . 2]"
1 38 TYR 0.167 0.012 12 0 "[ . 1 . 2]"
1 39 ARG 0.093 0.007 2 0 "[ . 1 . 2]"
1 40 VAL 0.409 0.014 4 0 "[ . 1 . 2]"
1 41 THR 0.305 0.051 4 0 "[ . 1 . 2]"
1 42 GLY 0.033 0.017 7 0 "[ . 1 . 2]"
1 43 LYS 0.112 0.019 15 0 "[ . 1 . 2]"
1 45 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 PHE 0.550 0.124 4 0 "[ . 1 . 2]"
1 49 PHE 0.041 0.010 6 0 "[ . 1 . 2]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 TYR 0.059 0.010 6 0 "[ . 1 . 2]"
1 53 THR 0.011 0.007 20 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.036 0.036 7 0 "[ . 1 . 2]"
1 56 GLU 0.017 0.006 14 0 "[ . 1 . 2]"
1 57 ALA 0.001 0.001 4 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.191 0.016 11 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.419 0.064 19 0 "[ . 1 . 2]"
1 63 VAL 0.123 0.014 13 0 "[ . 1 . 2]"
1 64 GLY 0.003 0.003 19 0 "[ . 1 . 2]"
1 65 TYR 0.074 0.008 15 0 "[ . 1 . 2]"
1 66 VAL 0.245 0.015 16 0 "[ . 1 . 2]"
1 67 THR 0.116 0.014 18 0 "[ . 1 . 2]"
1 68 ASN 0.037 0.010 13 0 "[ . 1 . 2]"
1 69 ASN 0.038 0.010 13 0 "[ . 1 . 2]"
1 70 GLU 0.003 0.003 3 0 "[ . 1 . 2]"
1 71 ASP 0.007 0.006 11 0 "[ . 1 . 2]"
1 72 GLY 0.020 0.007 5 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 0.451 0.124 4 0 "[ . 1 . 2]"
1 75 SER 0.087 0.014 3 0 "[ . 1 . 2]"
1 76 GLY 0.006 0.006 11 0 "[ . 1 . 2]"
1 77 VAL 0.034 0.009 13 0 "[ . 1 . 2]"
1 78 VAL 0.237 0.019 9 0 "[ . 1 . 2]"
1 79 GLN 0.278 0.014 9 0 "[ . 1 . 2]"
1 80 GLY 0.029 0.009 17 0 "[ . 1 . 2]"
1 81 PRO 0.133 0.025 1 0 "[ . 1 . 2]"
1 82 LYS 0.112 0.013 2 0 "[ . 1 . 2]"
1 83 GLU 0.281 0.038 20 0 "[ . 1 . 2]"
1 84 GLN 0.260 0.064 19 0 "[ . 1 . 2]"
1 85 VAL 0.147 0.019 9 0 "[ . 1 . 2]"
1 86 ASP 0.035 0.008 20 0 "[ . 1 . 2]"
1 87 ALA 0.299 0.015 8 0 "[ . 1 . 2]"
1 88 PHE 0.011 0.008 20 0 "[ . 1 . 2]"
1 89 VAL 0.175 0.010 5 0 "[ . 1 . 2]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TYR 0.096 0.007 15 0 "[ . 1 . 2]"
1 92 LEU 0.223 0.010 2 0 "[ . 1 . 2]"
1 93 HIS 0.063 0.009 14 0 "[ . 1 . 2]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 0.006 0.004 10 0 "[ . 1 . 2]"
1 96 SER 0.005 0.005 20 0 "[ . 1 . 2]"
1 97 PRO 0.005 0.005 20 0 "[ . 1 . 2]"
1 98 LYS 0.017 0.014 2 0 "[ . 1 . 2]"
1 99 SER 0.017 0.014 2 0 "[ . 1 . 2]"
1 100 VAL 0.110 0.023 15 0 "[ . 1 . 2]"
1 101 VAL 0.200 0.023 15 0 "[ . 1 . 2]"
1 102 LYS 0.015 0.008 5 0 "[ . 1 . 2]"
1 103 LYS 0.030 0.008 15 0 "[ . 1 . 2]"
1 104 VAL 0.141 0.027 5 0 "[ . 1 . 2]"
1 105 SER 0.298 0.021 8 0 "[ . 1 . 2]"
1 106 ILE 0.307 0.021 8 0 "[ . 1 . 2]"
1 107 HIS 0.231 0.020 7 0 "[ . 1 . 2]"
1 108 ALA 0.163 0.022 10 0 "[ . 1 . 2]"
1 109 SER 0.299 0.033 10 0 "[ . 1 . 2]"
1 110 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ARG 0.045 0.025 3 0 "[ . 1 . 2]"
1 112 VAL 0.222 0.025 3 0 "[ . 1 . 2]"
1 113 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 0.113 0.012 19 0 "[ . 1 . 2]"
1 115 ASP 0.005 0.005 19 0 "[ . 1 . 2]"
1 116 GLY 0.131 0.055 19 0 "[ . 1 . 2]"
1 117 PHE 0.137 0.055 19 0 "[ . 1 . 2]"
1 118 GLU 0.078 0.008 8 0 "[ . 1 . 2]"
1 119 ILE 0.275 0.015 16 0 "[ . 1 . 2]"
1 120 ARG 0.326 0.029 15 0 "[ . 1 . 2]"
1 121 ARG 0.308 0.029 15 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 11 THR HA 1 11 THR MG 2.950 . 3.100 2.425 2.251 3.158 0.058 1 0 "[ . 1 . 2]" 1
2 1 11 THR HB 1 12 LEU H 3.380 . 3.550 3.313 2.182 3.569 0.019 9 0 "[ . 1 . 2]" 1
3 1 11 THR MG 1 12 LEU H 3.730 . 3.920 3.245 1.883 3.930 0.010 5 0 "[ . 1 . 2]" 1
4 1 13 GLU H 1 13 GLU HA 2.900 . 3.050 2.911 2.830 2.949 . 0 0 "[ . 1 . 2]" 1
5 1 13 GLU H 1 13 GLU HB3 4.100 . 4.300 3.257 2.583 3.796 . 0 0 "[ . 1 . 2]" 1
6 1 13 GLU H 1 13 GLU HB2 4.100 . 4.300 3.401 2.472 3.971 . 0 0 "[ . 1 . 2]" 1
7 1 14 ALA HA 1 15 GLN HG2 5.500 . 5.780 4.571 3.609 5.538 . 0 0 "[ . 1 . 2]" 1
8 1 14 ALA HA 1 15 GLN HG3 5.500 . 5.780 4.557 3.383 5.786 0.006 9 0 "[ . 1 . 2]" 1
9 1 15 GLN HB3 1 16 THR H 4.070 . 4.270 3.359 2.030 4.275 0.005 15 0 "[ . 1 . 2]" 1
10 1 18 GLY HA3 1 19 PRO HG2 5.320 . 5.590 4.874 4.425 5.563 . 0 0 "[ . 1 . 2]" 1
11 1 18 GLY HA3 1 19 PRO HG3 5.500 . 5.780 5.106 4.235 5.693 . 0 0 "[ . 1 . 2]" 1
12 1 18 GLY HA2 1 19 PRO HG2 5.320 . 5.590 4.785 4.417 5.596 0.006 19 0 "[ . 1 . 2]" 1
13 1 18 GLY HA2 1 19 PRO HG3 5.500 . 5.780 4.454 3.918 4.944 . 0 0 "[ . 1 . 2]" 1
14 1 19 PRO HG2 1 20 GLY HA2 5.500 . 5.780 4.609 3.873 5.703 . 0 0 "[ . 1 . 2]" 1
15 1 19 PRO HG2 1 20 GLY HA3 5.500 . 5.780 5.101 4.544 5.776 . 0 0 "[ . 1 . 2]" 1
16 1 27 PRO HG2 1 28 SER H 5.500 . 5.780 4.809 3.813 5.785 0.005 3 0 "[ . 1 . 2]" 1
17 1 27 PRO HG3 1 28 SER H 5.500 . 5.780 5.152 4.637 5.785 0.005 19 0 "[ . 1 . 2]" 1
18 1 33 VAL HA 1 80 GLY H 4.760 . 5.000 4.138 3.582 4.906 . 0 0 "[ . 1 . 2]" 1
19 1 33 VAL HA 1 34 THR MG 5.490 . 5.760 5.466 5.399 5.513 . 0 0 "[ . 1 . 2]" 1
20 1 33 VAL HA 1 33 VAL MG1 3.250 . 3.410 2.586 2.335 3.233 . 0 0 "[ . 1 . 2]" 1
21 1 33 VAL HB 1 80 GLY H 5.380 . 5.650 5.264 4.957 5.656 0.006 17 0 "[ . 1 . 2]" 1
22 1 33 VAL MG2 1 34 THR H 4.220 . 4.430 3.770 2.164 4.276 . 0 0 "[ . 1 . 2]" 1
23 1 33 VAL HA 1 33 VAL MG2 3.250 . 3.410 2.435 2.334 2.500 . 0 0 "[ . 1 . 2]" 1
24 1 34 THR HB 1 82 LYS H 4.380 . 4.600 3.710 3.034 4.296 . 0 0 "[ . 1 . 2]" 1
25 1 34 THR HB 1 80 GLY H 4.350 . 4.570 3.737 3.455 4.202 . 0 0 "[ . 1 . 2]" 1
26 1 34 THR HB 1 35 THR H 4.480 . 4.700 4.062 3.729 4.331 . 0 0 "[ . 1 . 2]" 1
27 1 34 THR HB 1 85 VAL HB 4.140 . 4.350 3.563 3.147 4.001 . 0 0 "[ . 1 . 2]" 1
28 1 34 THR HB 1 85 VAL MG2 3.190 . 3.350 2.227 1.888 2.510 . 0 0 "[ . 1 . 2]" 1
29 1 34 THR MG 1 85 VAL HB 3.700 . 3.890 3.405 2.912 3.788 . 0 0 "[ . 1 . 2]" 1
30 1 34 THR MG 1 82 LYS HA 3.690 . 3.870 2.890 2.189 3.455 . 0 0 "[ . 1 . 2]" 1
31 1 34 THR MG 1 35 THR H 3.100 . 3.260 2.572 2.077 3.137 . 0 0 "[ . 1 . 2]" 1
32 1 34 THR MG 1 80 GLY H 4.450 . 4.670 4.557 4.351 4.679 0.009 17 0 "[ . 1 . 2]" 1
33 1 34 THR MG 1 36 LEU H 4.360 . 4.580 4.203 3.947 4.453 . 0 0 "[ . 1 . 2]" 1
34 1 34 THR MG 1 35 THR HA 4.450 . 4.670 3.629 3.350 3.929 . 0 0 "[ . 1 . 2]" 1
35 1 34 THR MG 1 79 GLN HA 4.740 . 4.980 4.729 4.373 4.981 0.001 16 0 "[ . 1 . 2]" 1
36 1 34 THR MG 1 85 VAL HA 5.500 . 5.780 5.534 5.128 5.787 0.007 18 0 "[ . 1 . 2]" 1
37 1 35 THR HA 1 79 GLN HA 4.520 . 4.750 2.254 2.155 2.380 . 0 0 "[ . 1 . 2]" 1
38 1 35 THR MG 1 36 LEU H 3.320 . 3.490 2.647 2.463 2.806 . 0 0 "[ . 1 . 2]" 1
39 1 35 THR MG 1 112 VAL H 3.640 . 3.820 2.744 2.244 3.222 . 0 0 "[ . 1 . 2]" 1
40 1 35 THR H 1 35 THR MG 3.960 . 4.160 3.898 3.834 3.957 . 0 0 "[ . 1 . 2]" 1
41 1 35 THR MG 1 109 SER H 4.950 . 5.200 4.847 4.158 5.012 . 0 0 "[ . 1 . 2]" 1
42 1 35 THR MG 1 79 GLN HA 4.060 . 4.260 3.290 2.887 3.608 . 0 0 "[ . 1 . 2]" 1
43 1 35 THR MG 1 109 SER HB3 4.070 . 4.270 4.281 4.274 4.303 0.033 10 0 "[ . 1 . 2]" 1
44 1 37 CYS H 1 37 CYS HB2 3.680 . 3.860 2.661 2.482 2.891 . 0 0 "[ . 1 . 2]" 1
45 1 37 CYS HB2 1 107 HIS H 4.630 . 4.860 3.917 3.173 4.862 0.002 15 0 "[ . 1 . 2]" 1
46 1 37 CYS HB2 1 38 TYR H 4.160 . 4.370 4.037 3.830 4.194 . 0 0 "[ . 1 . 2]" 1
47 1 37 CYS HB3 1 38 TYR H 4.160 . 4.370 3.492 2.876 4.161 . 0 0 "[ . 1 . 2]" 1
48 1 37 CYS HB3 1 107 HIS H 4.630 . 4.860 4.003 2.970 4.729 . 0 0 "[ . 1 . 2]" 1
49 1 37 CYS H 1 37 CYS HB3 3.680 . 3.860 3.123 2.375 3.708 . 0 0 "[ . 1 . 2]" 1
50 1 38 TYR HB3 1 106 ILE MG 4.790 . 5.030 4.833 4.596 5.032 0.002 7 0 "[ . 1 . 2]" 1
51 1 38 TYR HB2 1 106 ILE MG 5.500 . 5.780 5.021 4.734 5.193 . 0 0 "[ . 1 . 2]" 1
52 1 40 VAL HB 1 74 VAL HB 4.420 . 4.640 4.492 4.197 4.646 0.006 9 0 "[ . 1 . 2]" 1
53 1 40 VAL MG1 1 102 LYS H 5.290 . 5.550 5.377 5.116 5.558 0.008 5 0 "[ . 1 . 2]" 1
54 1 40 VAL MG1 1 103 LYS H 5.390 . 5.660 5.470 5.173 5.668 0.008 15 0 "[ . 1 . 2]" 1
55 1 40 VAL MG1 1 48 PHE HE1 3.390 . 3.560 3.025 2.305 3.559 . 0 0 "[ . 1 . 2]" 1
56 1 40 VAL MG1 1 101 VAL HA 4.860 . 5.100 4.946 4.662 5.110 0.010 16 0 "[ . 1 . 2]" 1
57 1 40 VAL MG2 1 102 LYS H 4.280 . 4.490 3.647 3.417 4.077 . 0 0 "[ . 1 . 2]" 1
58 1 40 VAL MG2 1 48 PHE HE1 3.900 . 4.100 3.875 3.242 4.108 0.008 15 0 "[ . 1 . 2]" 1
59 1 40 VAL HA 1 40 VAL MG2 3.350 . 3.520 2.321 2.264 2.363 . 0 0 "[ . 1 . 2]" 1
60 1 40 VAL MG2 1 101 VAL MG1 3.400 . 3.570 2.317 1.923 2.839 . 0 0 "[ . 1 . 2]" 1
61 1 40 VAL MG2 1 101 VAL MG2 3.400 . 3.570 3.285 1.998 3.579 0.009 10 0 "[ . 1 . 2]" 1
62 1 41 THR MG 1 42 GLY H 3.940 . 4.140 3.716 2.192 4.066 . 0 0 "[ . 1 . 2]" 1
63 1 43 LYS HB2 1 100 VAL H 4.740 . 4.980 4.508 3.163 4.994 0.014 9 0 "[ . 1 . 2]" 1
64 1 52 TYR HA 1 55 LYS H 3.750 . 3.940 3.284 2.984 3.560 . 0 0 "[ . 1 . 2]" 1
65 1 52 TYR HA 1 56 GLU H 4.170 . 4.380 3.768 3.556 3.924 . 0 0 "[ . 1 . 2]" 1
66 1 52 TYR HA 1 55 LYS HB2 4.370 . 4.590 3.161 2.304 3.577 . 0 0 "[ . 1 . 2]" 1
67 1 52 TYR HA 1 55 LYS HD2 5.370 . 5.640 3.955 2.800 4.809 . 0 0 "[ . 1 . 2]" 1
68 1 52 TYR HA 1 55 LYS HD3 5.370 . 5.640 3.449 2.469 4.968 . 0 0 "[ . 1 . 2]" 1
69 1 52 TYR HA 1 56 GLU HB2 5.460 . 5.730 4.797 4.441 5.216 . 0 0 "[ . 1 . 2]" 1
70 1 52 TYR HA 1 56 GLU HB3 5.460 . 5.730 5.621 5.212 5.736 0.006 14 0 "[ . 1 . 2]" 1
71 1 55 LYS H 1 55 LYS HB2 4.080 . 4.280 2.577 2.406 2.887 . 0 0 "[ . 1 . 2]" 1
72 1 55 LYS HB2 1 56 GLU H 4.730 . 4.970 3.696 2.624 3.996 . 0 0 "[ . 1 . 2]" 1
73 1 101 VAL HB 1 103 LYS H 5.270 . 5.530 3.710 2.957 5.530 . 0 0 "[ . 1 . 2]" 1
74 1 55 LYS HB3 1 56 GLU H 4.730 . 4.970 2.562 2.352 3.660 . 0 0 "[ . 1 . 2]" 1
75 1 52 TYR HA 1 55 LYS HB3 4.370 . 4.590 2.503 1.889 4.094 . 0 0 "[ . 1 . 2]" 1
76 1 55 LYS HA 1 58 ASP H 4.980 . 5.230 3.884 3.547 4.172 . 0 0 "[ . 1 . 2]" 1
77 1 56 GLU HA 1 59 ALA H 3.930 . 4.130 3.759 3.523 4.027 . 0 0 "[ . 1 . 2]" 1
78 1 56 GLU HB3 1 88 PHE QD 5.500 . 5.780 4.171 3.889 4.466 . 0 0 "[ . 1 . 2]" 1
79 1 56 GLU HB2 1 88 PHE QD 5.500 . 5.780 5.452 5.155 5.719 . 0 0 "[ . 1 . 2]" 1
80 1 56 GLU QG 1 88 PHE HA 4.820 . 5.060 3.128 2.566 3.687 . 0 0 "[ . 1 . 2]" 1
81 1 56 GLU QG 1 91 TYR HB3 . . 5.240 2.965 2.351 3.531 . 0 0 "[ . 1 . 2]" 1
82 1 56 GLU QG 1 88 PHE QD 4.660 . 4.790 2.948 2.643 3.287 . 0 0 "[ . 1 . 2]" 1
83 1 56 GLU H 1 56 GLU QG 4.640 . 4.760 4.037 4.019 4.064 . 0 0 "[ . 1 . 2]" 1
84 1 56 GLU QG 1 62 LEU QD . . 4.140 3.343 3.216 3.502 . 0 0 "[ . 1 . 2]" 1
85 1 57 ALA HA 1 62 LEU H 4.150 . 4.360 2.916 2.622 3.126 . 0 0 "[ . 1 . 2]" 1
86 1 57 ALA HA 1 59 ALA H 4.690 . 4.920 4.471 4.223 4.717 . 0 0 "[ . 1 . 2]" 1
87 1 57 ALA HA 1 60 LEU H 4.140 . 4.350 3.768 3.579 3.969 . 0 0 "[ . 1 . 2]" 1
88 1 57 ALA HA 1 88 PHE QD 4.040 . 4.240 3.046 2.788 3.345 . 0 0 "[ . 1 . 2]" 1
89 1 57 ALA HA 1 62 LEU HB2 3.650 . 3.830 2.562 2.126 2.880 . 0 0 "[ . 1 . 2]" 1
90 1 57 ALA HA 1 62 LEU QD 3.880 . 4.070 2.106 1.799 2.391 0.001 4 0 "[ . 1 . 2]" 1
91 1 57 ALA HA 1 62 LEU HG 4.340 . 4.560 4.061 3.935 4.306 . 0 0 "[ . 1 . 2]" 1
92 1 57 ALA MB 1 62 LEU HB2 3.020 . 3.170 2.559 2.319 2.830 . 0 0 "[ . 1 . 2]" 1
93 1 56 GLU QG 1 57 ALA MB 4.160 . 4.370 4.119 4.066 4.155 . 0 0 "[ . 1 . 2]" 1
94 1 56 GLU H 1 57 ALA MB 4.530 . 4.760 4.417 4.337 4.490 . 0 0 "[ . 1 . 2]" 1
95 1 57 ALA H 1 57 ALA MB 2.940 . 3.090 2.227 2.221 2.236 . 0 0 "[ . 1 . 2]" 1
96 1 57 ALA MB 1 62 LEU H 3.550 . 3.730 3.336 3.079 3.540 . 0 0 "[ . 1 . 2]" 1
97 1 57 ALA MB 1 58 ASP H 3.260 . 3.420 2.542 2.358 2.714 . 0 0 "[ . 1 . 2]" 1
98 1 58 ASP H 1 59 ALA HA 5.190 . 5.450 5.234 5.136 5.324 . 0 0 "[ . 1 . 2]" 1
99 1 59 ALA H 1 59 ALA MB 2.610 . 2.740 2.247 2.229 2.261 . 0 0 "[ . 1 . 2]" 1
100 1 59 ALA MB 1 60 LEU H 3.020 . 3.170 2.452 2.378 2.612 . 0 0 "[ . 1 . 2]" 1
101 1 56 GLU HA 1 59 ALA MB 3.130 . 3.290 2.929 2.640 3.273 . 0 0 "[ . 1 . 2]" 1
102 1 59 ALA MB 1 60 LEU HA 3.970 . 4.170 3.888 3.841 3.963 . 0 0 "[ . 1 . 2]" 1
103 1 61 SER HB3 1 62 LEU H 4.740 . 4.980 4.407 4.196 4.510 . 0 0 "[ . 1 . 2]" 1
104 1 61 SER HB2 1 62 LEU H 4.740 . 4.980 4.439 4.150 4.673 . 0 0 "[ . 1 . 2]" 1
105 1 60 LEU HA 1 60 LEU MD1 3.960 . 4.160 2.701 2.016 3.868 . 0 0 "[ . 1 . 2]" 1
106 1 60 LEU HA 1 60 LEU MD2 3.960 . 4.160 2.271 1.928 2.666 . 0 0 "[ . 1 . 2]" 1
107 1 60 LEU MD1 1 87 ALA MB 3.620 . 3.800 2.236 1.916 2.582 . 0 0 "[ . 1 . 2]" 1
108 1 60 LEU MD2 1 87 ALA MB 3.620 . 3.800 3.381 2.936 3.709 . 0 0 "[ . 1 . 2]" 1
109 1 62 LEU QD 1 81 PRO HG2 4.860 . 5.100 3.695 3.140 4.085 . 0 0 "[ . 1 . 2]" 1
110 1 62 LEU QD 1 84 GLN HB3 3.790 . 3.980 1.877 1.736 2.073 0.064 19 0 "[ . 1 . 2]" 1
111 1 62 LEU QD 1 81 PRO HD2 4.130 . 4.340 3.059 2.281 3.613 . 0 0 "[ . 1 . 2]" 1
112 1 62 LEU QD 1 85 VAL H 4.670 . 4.900 2.896 2.654 3.135 . 0 0 "[ . 1 . 2]" 1
113 1 62 LEU QD 1 84 GLN H 4.970 . 5.220 3.988 3.760 4.259 . 0 0 "[ . 1 . 2]" 1
114 1 62 LEU HG 1 84 GLN HB3 4.570 . 4.800 4.030 3.671 4.347 . 0 0 "[ . 1 . 2]" 1
115 1 62 LEU HG 1 88 PHE HB3 4.540 . 4.770 3.482 3.356 3.656 . 0 0 "[ . 1 . 2]" 1
116 1 62 LEU HG 1 88 PHE QD 4.050 . 4.250 2.705 2.308 3.084 . 0 0 "[ . 1 . 2]" 1
117 1 62 LEU HG 1 89 VAL H 5.500 . 5.780 5.772 5.694 5.790 0.010 5 0 "[ . 1 . 2]" 1
118 1 63 VAL MG1 1 64 GLY H 4.170 . 4.380 3.734 3.591 3.862 . 0 0 "[ . 1 . 2]" 1
119 1 63 VAL MG1 1 114 ALA MB 4.120 . 4.330 3.592 3.377 3.927 . 0 0 "[ . 1 . 2]" 1
120 1 65 TYR HB2 1 117 PHE H 4.810 . 5.050 4.989 4.031 5.058 0.008 15 0 "[ . 1 . 2]" 1
121 1 66 VAL HA 1 77 VAL H 4.860 . 5.100 3.760 3.641 3.893 . 0 0 "[ . 1 . 2]" 1
122 1 66 VAL HB 1 117 PHE QD 4.830 . 5.070 2.781 1.800 3.190 0.000 13 0 "[ . 1 . 2]" 1
123 1 48 PHE HE2 1 66 VAL MG1 4.250 . 4.460 3.896 3.077 4.435 . 0 0 "[ . 1 . 2]" 1
124 1 66 VAL MG2 1 67 THR H 4.690 . 4.920 3.552 2.340 3.842 . 0 0 "[ . 1 . 2]" 1
125 1 48 PHE HE2 1 66 VAL MG2 4.250 . 4.460 4.296 3.734 4.470 0.010 8 0 "[ . 1 . 2]" 1
126 1 67 THR HB 1 120 ARG HG3 5.310 . 5.580 4.371 3.447 5.585 0.005 20 0 "[ . 1 . 2]" 1
127 1 65 TYR QE 1 67 THR MG 2.920 . 3.070 2.441 2.189 2.730 . 0 0 "[ . 1 . 2]" 1
128 1 67 THR MG 1 75 SER H 3.820 . 4.010 3.245 2.953 3.472 . 0 0 "[ . 1 . 2]" 1
129 1 67 THR MG 1 120 ARG H 4.420 . 4.640 4.439 4.209 4.643 0.003 19 0 "[ . 1 . 2]" 1
130 1 67 THR MG 1 68 ASN H 3.880 . 4.070 3.389 3.291 3.470 . 0 0 "[ . 1 . 2]" 1
131 1 67 THR MG 1 69 ASN H 5.040 . 5.290 4.736 4.105 5.088 . 0 0 "[ . 1 . 2]" 1
132 1 67 THR MG 1 69 ASN HD21 4.700 . 4.930 3.828 2.767 4.934 0.004 13 0 "[ . 1 . 2]" 1
133 1 67 THR MG 1 69 ASN HD22 4.700 . 4.930 3.152 2.504 3.859 . 0 0 "[ . 1 . 2]" 1
134 1 66 VAL HA 1 67 THR MG 4.340 . 4.560 3.616 3.472 3.715 . 0 0 "[ . 1 . 2]" 1
135 1 67 THR MG 1 76 GLY QA 4.410 . 4.630 3.417 3.064 3.574 . 0 0 "[ . 1 . 2]" 1
136 1 67 THR MG 1 69 ASN HB2 5.500 . 5.780 5.487 5.011 5.786 0.006 2 0 "[ . 1 . 2]" 1
137 1 68 ASN HA 1 119 ILE MG 4.410 . 4.630 3.836 3.614 4.182 . 0 0 "[ . 1 . 2]" 1
138 1 69 ASN HB2 1 70 GLU HA 5.500 . 5.780 5.332 5.020 5.556 . 0 0 "[ . 1 . 2]" 1
139 1 70 GLU HG2 1 71 ASP H 5.500 . 5.780 3.440 2.712 4.576 . 0 0 "[ . 1 . 2]" 1
140 1 70 GLU HG3 1 71 ASP H 5.500 . 5.780 3.620 2.241 5.140 . 0 0 "[ . 1 . 2]" 1
141 1 40 VAL MG2 1 74 VAL HB 4.840 . 5.080 4.580 4.357 4.867 . 0 0 "[ . 1 . 2]" 1
142 1 48 PHE HD2 1 74 VAL HB 5.500 . 5.780 5.253 4.596 5.871 0.091 15 0 "[ . 1 . 2]" 1
143 1 40 VAL H 1 74 VAL HB 4.860 . 5.100 3.454 3.149 3.712 . 0 0 "[ . 1 . 2]" 1
144 1 40 VAL H 1 92 LEU MD1 4.570 . 4.800 4.192 3.731 4.802 0.002 8 0 "[ . 1 . 2]" 1
145 1 48 PHE HE1 1 92 LEU MD1 3.540 . 3.720 3.337 2.726 3.721 0.001 1 0 "[ . 1 . 2]" 1
146 1 38 TYR HD2 1 92 LEU MD1 3.610 . 3.790 3.390 3.171 3.581 . 0 0 "[ . 1 . 2]" 1
147 1 92 LEU HA 1 92 LEU MD1 3.960 . 4.160 2.290 2.043 2.436 . 0 0 "[ . 1 . 2]" 1
148 1 40 VAL HB 1 92 LEU MD1 2.860 . 3.000 2.049 1.796 2.668 0.004 11 0 "[ . 1 . 2]" 1
149 1 76 GLY QA 1 77 VAL HB 4.800 . 5.040 4.390 4.334 4.443 . 0 0 "[ . 1 . 2]" 1
150 1 38 TYR HE1 1 78 VAL HB 3.930 . 4.130 2.837 1.949 3.745 . 0 0 "[ . 1 . 2]" 1
151 1 78 VAL HB 1 79 GLN H 4.780 . 5.020 4.140 4.020 4.214 . 0 0 "[ . 1 . 2]" 1
152 1 77 VAL H 1 77 VAL HB 3.260 . 3.420 2.859 2.789 2.905 . 0 0 "[ . 1 . 2]" 1
153 1 78 VAL MG1 1 79 GLN H 4.060 . 4.260 2.977 2.345 3.669 . 0 0 "[ . 1 . 2]" 1
154 1 78 VAL H 1 78 VAL MG1 4.110 . 4.320 3.054 2.178 3.844 . 0 0 "[ . 1 . 2]" 1
155 1 38 TYR HE1 1 78 VAL MG1 3.860 . 4.050 2.764 1.797 3.861 0.003 17 0 "[ . 1 . 2]" 1
156 1 78 VAL MG1 1 85 VAL HA 4.030 . 4.230 2.947 2.291 3.676 . 0 0 "[ . 1 . 2]" 1
157 1 78 VAL H 1 78 VAL MG2 4.110 . 4.320 3.370 2.758 3.927 . 0 0 "[ . 1 . 2]" 1
158 1 78 VAL MG2 1 79 GLN H 4.060 . 4.260 3.115 2.276 3.929 . 0 0 "[ . 1 . 2]" 1
159 1 38 TYR HE1 1 78 VAL MG2 3.860 . 4.050 3.653 3.062 4.062 0.012 12 0 "[ . 1 . 2]" 1
160 1 78 VAL MG2 1 85 VAL HA 4.030 . 4.230 3.664 2.891 4.249 0.019 9 0 "[ . 1 . 2]" 1
161 1 77 VAL MG1 1 78 VAL H 4.040 . 4.240 2.444 2.297 2.559 . 0 0 "[ . 1 . 2]" 1
162 1 65 TYR H 1 77 VAL MG1 4.820 . 5.060 4.326 4.188 4.510 . 0 0 "[ . 1 . 2]" 1
163 1 77 VAL H 1 77 VAL MG1 4.020 . 4.220 3.947 3.925 3.973 . 0 0 "[ . 1 . 2]" 1
164 1 77 VAL MG2 1 78 VAL H 4.040 . 4.240 4.038 3.984 4.088 . 0 0 "[ . 1 . 2]" 1
165 1 65 TYR H 1 77 VAL MG2 4.820 . 5.060 4.394 4.202 4.580 . 0 0 "[ . 1 . 2]" 1
166 1 77 VAL H 1 77 VAL MG2 4.020 . 4.220 2.903 2.824 2.964 . 0 0 "[ . 1 . 2]" 1
167 1 77 VAL MG2 1 109 SER HB2 4.620 . 4.850 4.057 3.630 4.706 . 0 0 "[ . 1 . 2]" 1
168 1 79 GLN HA 1 79 GLN HG3 4.180 . 4.390 3.464 3.180 3.771 . 0 0 "[ . 1 . 2]" 1
169 1 79 GLN HA 1 85 VAL MG2 3.640 . 3.820 3.363 2.869 3.621 . 0 0 "[ . 1 . 2]" 1
170 1 79 GLN HB3 1 79 GLN HE22 4.270 . 4.480 3.599 3.451 3.869 . 0 0 "[ . 1 . 2]" 1
171 1 35 THR MG 1 79 GLN HB3 4.450 . 4.670 3.170 2.017 4.013 . 0 0 "[ . 1 . 2]" 1
172 1 35 THR MG 1 79 GLN HB2 4.450 . 4.670 4.271 3.481 4.668 . 0 0 "[ . 1 . 2]" 1
173 1 79 GLN HB2 1 79 GLN HE21 4.580 . 4.810 2.641 1.839 3.676 . 0 0 "[ . 1 . 2]" 1
174 1 79 GLN HB2 1 79 GLN HE22 4.270 . 4.480 3.726 3.487 4.200 . 0 0 "[ . 1 . 2]" 1
175 1 35 THR MG 1 79 GLN HG3 4.290 . 4.500 3.568 3.071 4.503 0.003 10 0 "[ . 1 . 2]" 1
176 1 35 THR MG 1 79 GLN HG2 4.260 . 4.470 2.171 1.797 3.511 0.003 19 0 "[ . 1 . 2]" 1
177 1 81 PRO HB2 1 84 GLN H 4.360 . 4.580 2.866 2.530 3.114 . 0 0 "[ . 1 . 2]" 1
178 1 81 PRO HB3 1 84 GLN H 4.600 . 4.830 4.535 4.294 4.713 . 0 0 "[ . 1 . 2]" 1
179 1 81 PRO HB3 1 85 VAL MG2 5.500 . 5.780 5.403 5.251 5.609 . 0 0 "[ . 1 . 2]" 1
180 1 81 PRO HB2 1 85 VAL MG2 5.500 . 5.780 4.768 4.453 4.950 . 0 0 "[ . 1 . 2]" 1
181 1 82 LYS HB3 1 83 GLU H 4.870 . 5.110 3.719 2.470 4.326 . 0 0 "[ . 1 . 2]" 1
182 1 82 LYS HB2 1 83 GLU H 4.870 . 5.110 3.897 3.631 4.263 . 0 0 "[ . 1 . 2]" 1
183 1 82 LYS H 1 82 LYS HB2 4.000 . 4.200 3.251 2.309 3.607 . 0 0 "[ . 1 . 2]" 1
184 1 83 GLU H 1 83 GLU HB3 3.610 . 3.790 3.049 2.673 3.621 . 0 0 "[ . 1 . 2]" 1
185 1 83 GLU H 1 83 GLU HB2 3.610 . 3.790 3.289 2.521 3.609 . 0 0 "[ . 1 . 2]" 1
186 1 83 GLU HB2 1 84 GLN H 4.180 . 4.390 3.214 2.302 3.804 . 0 0 "[ . 1 . 2]" 1
187 1 83 GLU HB3 1 84 GLN H 4.180 . 4.390 3.918 3.473 4.217 . 0 0 "[ . 1 . 2]" 1
188 1 83 GLU HA 1 86 ASP HB2 3.730 . 3.920 3.313 2.813 3.751 . 0 0 "[ . 1 . 2]" 1
189 1 83 GLU HA 1 86 ASP HB3 4.280 . 4.490 2.623 2.266 3.012 . 0 0 "[ . 1 . 2]" 1
190 1 82 LYS HD2 1 83 GLU HA 4.940 . 5.190 3.823 2.930 5.023 . 0 0 "[ . 1 . 2]" 1
191 1 82 LYS HD3 1 83 GLU HA 4.940 . 5.190 3.062 2.296 4.500 . 0 0 "[ . 1 . 2]" 1
192 1 83 GLU H 1 83 GLU HG3 3.540 . 3.720 2.778 2.008 3.532 . 0 0 "[ . 1 . 2]" 1
193 1 82 LYS H 1 83 GLU HG3 5.260 . 5.520 5.028 4.006 5.532 0.012 20 0 "[ . 1 . 2]" 1
194 1 82 LYS H 1 83 GLU HG2 5.260 . 5.520 4.362 3.837 5.523 0.003 9 0 "[ . 1 . 2]" 1
195 1 83 GLU HG2 1 84 GLN HE21 5.500 . 5.780 4.935 3.618 5.788 0.008 5 0 "[ . 1 . 2]" 1
196 1 83 GLU HG3 1 84 GLN HE21 5.500 . 5.780 3.755 2.833 5.769 . 0 0 "[ . 1 . 2]" 1
197 1 83 GLU HG3 1 84 GLN H 4.620 . 4.850 2.842 1.930 4.548 . 0 0 "[ . 1 . 2]" 1
198 1 83 GLU HG2 1 84 GLN H 4.620 . 4.850 3.413 1.928 4.800 . 0 0 "[ . 1 . 2]" 1
199 1 83 GLU HG2 1 84 GLN HE22 5.500 . 5.780 3.881 2.693 4.780 . 0 0 "[ . 1 . 2]" 1
200 1 83 GLU HG3 1 84 GLN HE22 5.500 . 5.780 2.711 1.988 4.512 . 0 0 "[ . 1 . 2]" 1
201 1 83 GLU HA 1 83 GLU HG3 3.950 . 4.150 3.699 3.156 4.188 0.038 20 0 "[ . 1 . 2]" 1
202 1 83 GLU HA 1 83 GLU HG2 3.950 . 4.150 3.409 2.536 3.761 . 0 0 "[ . 1 . 2]" 1
203 1 82 LYS HD2 1 83 GLU HG2 5.500 . 5.780 3.772 2.469 4.766 . 0 0 "[ . 1 . 2]" 1
204 1 82 LYS HD3 1 83 GLU HG2 5.500 . 5.780 3.951 2.528 5.253 . 0 0 "[ . 1 . 2]" 1
205 1 82 LYS HD2 1 83 GLU HG3 5.500 . 5.780 4.890 2.053 5.793 0.013 2 0 "[ . 1 . 2]" 1
206 1 82 LYS HD3 1 83 GLU HG3 5.500 . 5.780 4.876 3.268 5.788 0.008 1 0 "[ . 1 . 2]" 1
207 1 81 PRO HG2 1 84 GLN HA 4.800 . 5.040 4.551 4.403 5.044 0.004 15 0 "[ . 1 . 2]" 1
208 1 84 GLN HG2 1 85 VAL H 5.160 . 5.420 5.172 5.052 5.282 . 0 0 "[ . 1 . 2]" 1
209 1 84 GLN HG3 1 85 VAL H 5.160 . 5.420 5.161 5.038 5.288 . 0 0 "[ . 1 . 2]" 1
210 1 84 GLN H 1 84 GLN HG3 4.450 . 4.670 4.007 3.835 4.283 . 0 0 "[ . 1 . 2]" 1
211 1 84 GLN HA 1 84 GLN HG3 3.910 . 4.110 2.537 2.435 2.751 . 0 0 "[ . 1 . 2]" 1
212 1 84 GLN HA 1 84 GLN HG2 3.910 . 4.110 3.671 3.608 3.706 . 0 0 "[ . 1 . 2]" 1
213 1 62 LEU HG 1 85 VAL HA 4.410 . 4.630 3.292 2.919 3.516 . 0 0 "[ . 1 . 2]" 1
214 1 85 VAL H 1 85 VAL HB 3.550 . 3.730 2.540 2.504 2.609 . 0 0 "[ . 1 . 2]" 1
215 1 84 GLN H 1 85 VAL HB 5.210 . 5.470 4.677 4.619 4.822 . 0 0 "[ . 1 . 2]" 1
216 1 82 LYS HA 1 85 VAL HB 3.770 . 3.960 2.416 1.928 3.097 . 0 0 "[ . 1 . 2]" 1
217 1 34 THR MG 1 85 VAL MG2 3.070 . 3.220 2.834 2.397 3.218 . 0 0 "[ . 1 . 2]" 1
218 1 84 GLN HB2 1 85 VAL MG2 4.060 . 4.260 3.692 3.580 3.793 . 0 0 "[ . 1 . 2]" 1
219 1 84 GLN HB3 1 85 VAL MG2 4.310 . 4.530 4.223 3.841 4.445 . 0 0 "[ . 1 . 2]" 1
220 1 85 VAL HA 1 85 VAL MG2 3.100 . 3.260 2.394 2.367 2.436 . 0 0 "[ . 1 . 2]" 1
221 1 82 LYS HA 1 85 VAL MG2 3.590 . 3.770 2.857 2.508 3.341 . 0 0 "[ . 1 . 2]" 1
222 1 80 GLY H 1 85 VAL MG2 3.340 . 3.510 2.949 2.674 3.211 . 0 0 "[ . 1 . 2]" 1
223 1 34 THR H 1 85 VAL MG2 4.010 . 4.210 3.736 3.444 4.214 0.004 15 0 "[ . 1 . 2]" 1
224 1 85 VAL H 1 85 VAL MG1 3.860 . 4.050 3.784 3.776 3.792 . 0 0 "[ . 1 . 2]" 1
225 1 85 VAL MG1 1 86 ASP H 3.550 . 3.730 3.422 3.277 3.533 . 0 0 "[ . 1 . 2]" 1
226 1 85 VAL HA 1 85 VAL MG1 3.230 . 3.390 2.442 2.401 2.471 . 0 0 "[ . 1 . 2]" 1
227 1 34 THR MG 1 85 VAL MG1 2.970 . 3.120 2.653 2.331 2.987 . 0 0 "[ . 1 . 2]" 1
228 1 82 LYS HA 1 85 VAL MG1 4.280 . 4.490 3.745 3.388 4.289 . 0 0 "[ . 1 . 2]" 1
229 1 34 THR HB 1 85 VAL MG1 4.400 . 4.620 3.590 3.141 4.040 . 0 0 "[ . 1 . 2]" 1
230 1 86 ASP HA 1 90 LYS H 4.830 . 5.070 4.006 3.819 4.294 . 0 0 "[ . 1 . 2]" 1
231 1 86 ASP HA 1 89 VAL HB 3.570 . 3.750 3.295 2.150 3.758 0.008 20 0 "[ . 1 . 2]" 1
232 1 85 VAL MG1 1 86 ASP HA 4.210 . 4.420 3.580 3.435 3.738 . 0 0 "[ . 1 . 2]" 1
233 1 85 VAL H 1 86 ASP HB2 5.140 . 5.400 5.067 4.633 5.213 . 0 0 "[ . 1 . 2]" 1
234 1 86 ASP HB3 1 87 ALA HA 5.210 . 5.470 4.368 4.147 4.565 . 0 0 "[ . 1 . 2]" 1
235 1 85 VAL HB 1 86 ASP HB3 5.500 . 5.780 4.952 4.797 5.314 . 0 0 "[ . 1 . 2]" 1
236 1 86 ASP HB3 1 87 ALA MB 4.640 . 4.870 4.064 3.864 4.258 . 0 0 "[ . 1 . 2]" 1
237 1 86 ASP HB2 1 87 ALA MB 5.500 . 5.780 5.375 5.173 5.488 . 0 0 "[ . 1 . 2]" 1
238 1 85 VAL HB 1 86 ASP HB2 4.460 . 4.680 4.385 4.167 4.556 . 0 0 "[ . 1 . 2]" 1
239 1 87 ALA HA 1 90 LYS H 3.960 . 4.160 3.591 3.268 3.884 . 0 0 "[ . 1 . 2]" 1
240 1 87 ALA HA 1 89 VAL H 4.870 . 5.110 4.575 4.297 4.829 . 0 0 "[ . 1 . 2]" 1
241 1 87 ALA H 1 87 ALA MB 2.710 . 2.850 2.230 2.217 2.240 . 0 0 "[ . 1 . 2]" 1
242 1 87 ALA MB 1 90 LYS H 5.040 . 5.290 4.667 4.444 4.819 . 0 0 "[ . 1 . 2]" 1
243 1 87 ALA MB 1 88 PHE H 3.210 . 3.370 2.499 2.391 2.652 . 0 0 "[ . 1 . 2]" 1
244 1 86 ASP H 1 87 ALA MB 4.460 . 4.680 4.303 4.207 4.421 . 0 0 "[ . 1 . 2]" 1
245 1 84 GLN HA 1 87 ALA MB 3.320 . 3.490 2.273 2.128 2.450 . 0 0 "[ . 1 . 2]" 1
246 1 85 VAL HA 1 87 ALA MB 5.090 . 5.340 4.609 4.512 4.706 . 0 0 "[ . 1 . 2]" 1
247 1 62 LEU HG 1 87 ALA MB 4.650 . 4.880 4.889 4.882 4.895 0.015 8 0 "[ . 1 . 2]" 1
248 1 38 TYR HE2 1 89 VAL HA 4.670 . 4.900 2.144 1.796 2.820 0.004 13 0 "[ . 1 . 2]" 1
249 1 89 VAL HA 1 92 LEU HB2 4.100 . 4.300 2.379 2.085 2.586 . 0 0 "[ . 1 . 2]" 1
250 1 89 VAL H 1 89 VAL MG2 3.810 . 4.000 3.211 2.082 3.813 . 0 0 "[ . 1 . 2]" 1
251 1 89 VAL MG2 1 90 LYS H 4.090 . 4.290 3.828 3.743 3.939 . 0 0 "[ . 1 . 2]" 1
252 1 89 VAL MG2 1 93 HIS HD2 5.150 . 5.410 3.619 2.181 5.235 . 0 0 "[ . 1 . 2]" 1
253 1 89 VAL HA 1 89 VAL MG2 3.250 . 3.410 2.327 2.260 2.425 . 0 0 "[ . 1 . 2]" 1
254 1 56 GLU QG 1 91 TYR HB2 4.820 . 5.060 2.802 2.281 3.703 . 0 0 "[ . 1 . 2]" 1
255 1 91 TYR HA 1 95 GLY H 5.500 . 5.780 4.793 4.002 5.782 0.002 20 0 "[ . 1 . 2]" 1
256 1 89 VAL HB 1 90 LYS H 3.960 . 4.160 3.408 2.410 3.942 . 0 0 "[ . 1 . 2]" 1
257 1 88 PHE HA 1 91 TYR H 4.580 . 4.810 3.341 3.062 3.517 . 0 0 "[ . 1 . 2]" 1
258 1 88 PHE HA 1 91 TYR HB3 3.990 . 4.190 2.385 2.118 2.742 . 0 0 "[ . 1 . 2]" 1
259 1 87 ALA MB 1 88 PHE HA 4.370 . 4.590 3.794 3.712 3.860 . 0 0 "[ . 1 . 2]" 1
260 1 62 LEU QD 1 88 PHE HA 4.140 . 4.350 3.951 3.704 4.189 . 0 0 "[ . 1 . 2]" 1
261 1 62 LEU HG 1 88 PHE HA 4.720 . 4.960 4.627 4.298 4.791 . 0 0 "[ . 1 . 2]" 1
262 1 62 LEU HG 1 88 PHE HB2 4.540 . 4.770 2.273 2.147 2.359 . 0 0 "[ . 1 . 2]" 1
263 1 62 LEU QD 1 88 PHE HB2 4.820 . 5.060 2.652 2.505 2.802 . 0 0 "[ . 1 . 2]" 1
264 1 62 LEU QD 1 88 PHE HB3 4.820 . 5.060 3.760 3.615 3.935 . 0 0 "[ . 1 . 2]" 1
265 1 90 LYS H 1 90 LYS HG3 4.590 . 4.820 3.857 2.107 4.649 . 0 0 "[ . 1 . 2]" 1
266 1 90 LYS H 1 90 LYS HG2 4.590 . 4.820 3.823 2.197 4.612 . 0 0 "[ . 1 . 2]" 1
267 1 48 PHE HE1 1 92 LEU HA 5.500 . 5.780 4.463 3.480 5.735 . 0 0 "[ . 1 . 2]" 1
268 1 93 HIS HB2 1 94 LYS H 4.700 . 4.930 3.138 2.868 3.513 . 0 0 "[ . 1 . 2]" 1
269 1 94 LYS H 1 94 LYS HB2 4.040 . 4.240 2.525 2.392 2.825 . 0 0 "[ . 1 . 2]" 1
270 1 94 LYS H 1 94 LYS HB3 4.040 . 4.240 3.234 2.360 3.653 . 0 0 "[ . 1 . 2]" 1
271 1 100 VAL HA 1 100 VAL MG2 3.260 . 3.420 2.430 2.397 2.521 . 0 0 "[ . 1 . 2]" 1
272 1 43 LYS H 1 100 VAL HB 4.810 . 5.050 3.911 3.327 4.603 . 0 0 "[ . 1 . 2]" 1
273 1 43 LYS H 1 100 VAL MG2 5.500 . 5.780 5.168 4.619 5.757 . 0 0 "[ . 1 . 2]" 1
274 1 100 VAL H 1 100 VAL MG2 4.060 . 4.260 2.332 1.943 2.875 . 0 0 "[ . 1 . 2]" 1
275 1 100 VAL MG1 1 101 VAL H 4.190 . 4.400 2.778 2.100 3.345 . 0 0 "[ . 1 . 2]" 1
276 1 100 VAL H 1 100 VAL MG1 4.060 . 4.260 3.818 3.775 3.917 . 0 0 "[ . 1 . 2]" 1
277 1 100 VAL HA 1 100 VAL MG1 3.260 . 3.420 2.396 2.330 2.432 . 0 0 "[ . 1 . 2]" 1
278 1 101 VAL HA 1 102 LYS H 3.360 . 3.530 2.190 2.086 2.269 . 0 0 "[ . 1 . 2]" 1
279 1 43 LYS H 1 101 VAL HA 4.470 . 4.690 3.217 2.556 4.122 . 0 0 "[ . 1 . 2]" 1
280 1 101 VAL HA 1 103 LYS H 4.230 . 4.440 4.246 3.827 4.447 0.007 10 0 "[ . 1 . 2]" 1
281 1 40 VAL MG2 1 101 VAL HA 3.970 . 4.170 3.582 3.049 4.136 . 0 0 "[ . 1 . 2]" 1
282 1 100 VAL HA 1 101 VAL MG1 4.650 . 4.880 3.872 3.622 4.893 0.013 16 0 "[ . 1 . 2]" 1
283 1 100 VAL HA 1 101 VAL MG2 4.650 . 4.880 3.791 3.653 4.612 . 0 0 "[ . 1 . 2]" 1
284 1 101 VAL H 1 101 VAL MG1 3.510 . 3.690 2.454 2.185 3.111 . 0 0 "[ . 1 . 2]" 1
285 1 101 VAL H 1 101 VAL MG2 3.510 . 3.690 2.059 1.922 3.439 . 0 0 "[ . 1 . 2]" 1
286 1 101 VAL MG1 1 102 LYS H 4.790 . 5.030 3.792 2.567 4.004 . 0 0 "[ . 1 . 2]" 1
287 1 101 VAL MG2 1 102 LYS H 4.790 . 5.030 3.826 2.828 4.177 . 0 0 "[ . 1 . 2]" 1
288 1 118 GLU HB3 1 119 ILE H 4.510 . 4.740 4.095 3.718 4.284 . 0 0 "[ . 1 . 2]" 1
289 1 118 GLU H 1 118 GLU HB2 4.120 . 4.330 4.003 3.976 4.044 . 0 0 "[ . 1 . 2]" 1
290 1 118 GLU HB2 1 120 ARG HG3 4.920 . 5.170 3.992 3.419 5.067 . 0 0 "[ . 1 . 2]" 1
291 1 92 LEU HB3 1 104 VAL HB 4.820 . 5.060 4.600 4.159 5.064 0.004 5 0 "[ . 1 . 2]" 1
292 1 92 LEU MD1 1 104 VAL HB 4.960 . 5.210 3.047 2.567 4.637 . 0 0 "[ . 1 . 2]" 1
293 1 93 HIS H 1 104 VAL MG2 4.800 . 5.040 4.503 3.676 4.865 . 0 0 "[ . 1 . 2]" 1
294 1 93 HIS HA 1 104 VAL MG2 4.280 . 4.490 3.845 2.159 4.492 0.002 2 0 "[ . 1 . 2]" 1
295 1 92 LEU MD1 1 104 VAL MG2 4.090 . 4.290 2.095 1.880 2.649 . 0 0 "[ . 1 . 2]" 1
296 1 105 SER H 1 105 SER HB3 3.690 . 3.870 3.841 3.776 3.874 0.004 18 0 "[ . 1 . 2]" 1
297 1 105 SER H 1 105 SER HB2 3.620 . 3.800 2.758 2.661 2.835 . 0 0 "[ . 1 . 2]" 1
298 1 39 ARG HB3 1 105 SER HB3 3.830 . 4.020 3.888 3.461 4.026 0.006 8 0 "[ . 1 . 2]" 1
299 1 39 ARG HB3 1 105 SER HB2 3.780 . 3.970 2.554 2.030 2.805 . 0 0 "[ . 1 . 2]" 1
300 1 39 ARG HG2 1 105 SER HB2 4.510 . 4.740 3.579 3.142 3.707 . 0 0 "[ . 1 . 2]" 1
301 1 39 ARG HG2 1 105 SER HB3 5.010 . 5.260 5.179 4.730 5.267 0.007 4 0 "[ . 1 . 2]" 1
302 1 105 SER HB3 1 106 ILE HG12 5.180 . 5.440 5.327 5.103 5.443 0.003 1 0 "[ . 1 . 2]" 1
303 1 38 TYR HA 1 106 ILE HA 4.230 . 4.440 2.583 2.486 2.673 . 0 0 "[ . 1 . 2]" 1
304 1 106 ILE HA 1 106 ILE MG 3.520 . 3.700 2.277 2.219 2.318 . 0 0 "[ . 1 . 2]" 1
305 1 38 TYR HA 1 106 ILE MG 3.740 . 3.930 3.159 2.963 3.257 . 0 0 "[ . 1 . 2]" 1
306 1 105 SER H 1 106 ILE MG 5.500 . 5.780 5.792 5.781 5.801 0.021 8 0 "[ . 1 . 2]" 1
307 1 106 ILE HG12 1 106 ILE MG 3.310 . 3.480 3.206 3.201 3.211 . 0 0 "[ . 1 . 2]" 1
308 1 106 ILE H 1 106 ILE MD 4.160 . 4.370 3.417 3.196 3.586 . 0 0 "[ . 1 . 2]" 1
309 1 106 ILE MD 1 107 HIS H 4.400 . 4.620 3.972 3.836 4.153 . 0 0 "[ . 1 . 2]" 1
310 1 38 TYR HA 1 106 ILE MD 4.160 . 4.370 2.484 2.190 2.825 . 0 0 "[ . 1 . 2]" 1
311 1 106 ILE HA 1 106 ILE MD 3.970 . 4.170 2.266 2.176 2.387 . 0 0 "[ . 1 . 2]" 1
312 1 89 VAL HA 1 106 ILE MD 4.480 . 4.700 3.973 3.342 4.341 . 0 0 "[ . 1 . 2]" 1
313 1 38 TYR HB3 1 106 ILE MD 4.140 . 4.350 3.440 3.135 3.696 . 0 0 "[ . 1 . 2]" 1
314 1 106 ILE HB 1 106 ILE MD 3.350 . 3.520 3.249 3.244 3.254 . 0 0 "[ . 1 . 2]" 1
315 1 92 LEU HG 1 106 ILE MD 4.020 . 4.220 3.504 3.023 3.948 . 0 0 "[ . 1 . 2]" 1
316 1 36 LEU HA 1 108 ALA MB 4.970 . 5.220 5.095 4.871 5.228 0.008 8 0 "[ . 1 . 2]" 1
317 1 109 SER H 1 109 SER HB3 3.800 . 3.990 3.521 2.495 3.591 . 0 0 "[ . 1 . 2]" 1
318 1 37 CYS H 1 109 SER HB3 5.140 . 5.400 4.995 3.888 5.395 . 0 0 "[ . 1 . 2]" 1
319 1 37 CYS H 1 109 SER HB2 5.140 . 5.400 3.382 3.056 4.899 . 0 0 "[ . 1 . 2]" 1
320 1 35 THR MG 1 109 SER HB2 4.070 . 4.270 3.731 3.534 3.776 . 0 0 "[ . 1 . 2]" 1
321 1 77 VAL MG1 1 109 SER HB2 4.620 . 4.850 3.810 3.448 4.252 . 0 0 "[ . 1 . 2]" 1
322 1 77 VAL MG1 1 109 SER HB3 4.620 . 4.850 4.547 4.164 4.840 . 0 0 "[ . 1 . 2]" 1
323 1 77 VAL MG2 1 109 SER HB3 4.620 . 4.850 4.632 4.194 4.855 0.005 12 0 "[ . 1 . 2]" 1
324 1 110 SER H 1 110 SER HB2 3.630 . 3.810 2.999 2.510 3.569 . 0 0 "[ . 1 . 2]" 1
325 1 110 SER HB3 1 111 ARG H 3.780 . 3.970 3.015 2.094 3.493 . 0 0 "[ . 1 . 2]" 1
326 1 110 SER H 1 110 SER HB3 3.630 . 3.810 2.911 2.497 3.584 . 0 0 "[ . 1 . 2]" 1
327 1 111 ARG HA 1 111 ARG HG3 4.100 . 4.300 2.761 2.443 3.641 . 0 0 "[ . 1 . 2]" 1
328 1 35 THR MG 1 111 ARG HA 3.800 . 3.990 2.142 1.900 2.693 . 0 0 "[ . 1 . 2]" 1
329 1 111 ARG HA 1 112 VAL MG1 4.410 . 4.630 3.697 3.402 3.841 . 0 0 "[ . 1 . 2]" 1
330 1 111 ARG HB3 1 112 VAL H 4.300 . 4.520 4.077 3.717 4.307 . 0 0 "[ . 1 . 2]" 1
331 1 111 ARG HG3 1 112 VAL H 3.800 . 3.990 3.232 2.686 4.015 0.025 3 0 "[ . 1 . 2]" 1
332 1 111 ARG H 1 111 ARG HG3 4.650 . 4.880 4.412 4.280 4.556 . 0 0 "[ . 1 . 2]" 1
333 1 79 GLN HE22 1 111 ARG HG3 4.830 . 5.070 2.875 1.810 4.216 . 0 0 "[ . 1 . 2]" 1
334 1 79 GLN HE21 1 111 ARG HG3 4.250 . 4.460 2.455 1.798 3.672 0.002 14 0 "[ . 1 . 2]" 1
335 1 79 GLN HE21 1 111 ARG HG2 4.250 . 4.460 3.230 1.956 4.210 . 0 0 "[ . 1 . 2]" 1
336 1 79 GLN HE22 1 111 ARG HG2 4.830 . 5.070 2.962 2.203 3.731 . 0 0 "[ . 1 . 2]" 1
337 1 111 ARG H 1 111 ARG HG2 4.650 . 4.880 4.468 4.249 4.557 . 0 0 "[ . 1 . 2]" 1
338 1 111 ARG HA 1 111 ARG HG2 4.100 . 4.300 3.002 2.344 3.412 . 0 0 "[ . 1 . 2]" 1
339 1 111 ARG HA 1 111 ARG HD2 5.380 . 5.650 4.440 3.254 4.961 . 0 0 "[ . 1 . 2]" 1
340 1 111 ARG HA 1 111 ARG HD3 5.380 . 5.650 4.581 4.259 5.062 . 0 0 "[ . 1 . 2]" 1
341 1 112 VAL HB 1 114 ALA H 5.500 . 5.780 5.709 5.463 5.785 0.005 8 0 "[ . 1 . 2]" 1
342 1 112 VAL MG1 1 113 ASP H 3.680 . 3.860 3.636 3.585 3.720 . 0 0 "[ . 1 . 2]" 1
343 1 112 VAL H 1 112 VAL MG1 3.430 . 3.600 2.929 2.660 3.115 . 0 0 "[ . 1 . 2]" 1
344 1 112 VAL H 1 112 VAL MG2 2.950 . 3.100 2.141 2.029 2.322 . 0 0 "[ . 1 . 2]" 1
345 1 79 GLN HE22 1 112 VAL MG2 3.650 . 3.830 3.244 3.059 3.451 . 0 0 "[ . 1 . 2]" 1
346 1 79 GLN HE21 1 112 VAL MG2 3.590 . 3.770 3.683 3.026 3.784 0.014 9 0 "[ . 1 . 2]" 1
347 1 111 ARG HA 1 112 VAL MG2 3.930 . 4.130 3.596 3.362 3.813 . 0 0 "[ . 1 . 2]" 1
348 1 79 GLN HG3 1 112 VAL MG2 4.080 . 4.280 3.762 3.428 4.284 0.004 15 0 "[ . 1 . 2]" 1
349 1 113 ASP H 1 113 ASP HB2 3.710 . 3.900 2.743 2.320 3.665 . 0 0 "[ . 1 . 2]" 1
350 1 114 ALA MB 1 115 ASP H 3.120 . 3.280 2.619 1.832 3.073 . 0 0 "[ . 1 . 2]" 1
351 1 64 GLY HA2 1 114 ALA MB 4.360 . 4.580 2.700 2.214 3.075 . 0 0 "[ . 1 . 2]" 1
352 1 64 GLY HA3 1 114 ALA MB 4.360 . 4.580 3.870 3.510 4.221 . 0 0 "[ . 1 . 2]" 1
353 1 63 VAL HB 1 114 ALA MB 2.880 . 3.020 2.424 2.175 2.790 . 0 0 "[ . 1 . 2]" 1
354 1 63 VAL MG2 1 114 ALA MB 4.120 . 4.330 2.920 2.626 3.282 . 0 0 "[ . 1 . 2]" 1
355 1 64 GLY H 1 114 ALA MB 3.420 . 3.590 2.107 1.797 2.368 0.003 19 0 "[ . 1 . 2]" 1
356 1 115 ASP H 1 115 ASP HB2 3.950 . 4.150 3.166 2.547 4.074 . 0 0 "[ . 1 . 2]" 1
357 1 115 ASP H 1 115 ASP HB3 3.950 . 4.150 2.949 2.517 4.155 0.005 19 0 "[ . 1 . 2]" 1
358 1 118 GLU HG2 1 119 ILE H 5.350 . 5.620 5.047 4.531 5.230 . 0 0 "[ . 1 . 2]" 1
359 1 118 GLU HG3 1 119 ILE H 5.500 . 5.780 4.224 3.365 4.590 . 0 0 "[ . 1 . 2]" 1
360 1 117 PHE HA 1 118 GLU HG2 4.800 . 5.040 4.187 3.939 4.573 . 0 0 "[ . 1 . 2]" 1
361 1 118 GLU HG3 1 120 ARG HG3 3.920 . 4.120 2.169 1.792 3.732 0.008 8 0 "[ . 1 . 2]" 1
362 1 119 ILE H 1 119 ILE HG12 4.760 . 5.000 2.882 1.949 3.893 . 0 0 "[ . 1 . 2]" 1
363 1 119 ILE H 1 119 ILE MG 3.970 . 4.170 3.782 3.726 3.850 . 0 0 "[ . 1 . 2]" 1
364 1 48 PHE HB2 1 119 ILE MG 4.280 . 4.490 3.894 3.143 4.412 . 0 0 "[ . 1 . 2]" 1
365 1 119 ILE MG 1 121 ARG HD2 5.200 . 5.460 3.619 2.389 5.131 . 0 0 "[ . 1 . 2]" 1
366 1 119 ILE MG 1 121 ARG HD3 5.200 . 5.460 3.917 2.301 5.231 . 0 0 "[ . 1 . 2]" 1
367 1 48 PHE HB3 1 119 ILE MG 4.280 . 4.490 3.599 2.842 4.505 0.015 11 0 "[ . 1 . 2]" 1
368 1 119 ILE HB 1 119 ILE MD 3.310 . 3.480 2.928 2.406 3.249 . 0 0 "[ . 1 . 2]" 1
369 1 121 ARG HA 1 121 ARG HG2 3.850 . 4.040 2.615 2.442 3.093 . 0 0 "[ . 1 . 2]" 1
370 1 119 ILE MG 1 121 ARG HA 4.670 . 4.900 4.721 4.337 4.908 0.008 11 0 "[ . 1 . 2]" 1
371 1 121 ARG H 1 121 ARG HB3 3.930 . 4.130 3.833 3.703 3.969 . 0 0 "[ . 1 . 2]" 1
372 1 121 ARG HB3 1 121 ARG HD2 4.160 . 4.370 3.285 2.503 3.730 . 0 0 "[ . 1 . 2]" 1
373 1 121 ARG HB3 1 121 ARG HD3 4.160 . 4.370 3.032 2.467 3.848 . 0 0 "[ . 1 . 2]" 1
374 1 119 ILE MG 1 121 ARG HB3 5.260 . 5.520 5.118 4.672 5.522 0.002 6 0 "[ . 1 . 2]" 1
375 1 119 ILE MG 1 121 ARG HB2 5.090 . 5.340 4.837 4.220 5.347 0.007 13 0 "[ . 1 . 2]" 1
376 1 121 ARG HA 1 121 ARG HD2 5.500 . 5.780 4.468 2.048 4.949 . 0 0 "[ . 1 . 2]" 1
377 1 121 ARG HA 1 121 ARG HD3 5.500 . 5.780 4.537 3.671 4.890 . 0 0 "[ . 1 . 2]" 1
378 1 121 ARG H 1 121 ARG HD2 5.500 . 5.780 5.138 4.228 5.660 . 0 0 "[ . 1 . 2]" 1
379 1 121 ARG H 1 121 ARG HD3 5.500 . 5.780 5.057 4.494 5.387 . 0 0 "[ . 1 . 2]" 1
380 1 121 ARG HA 1 121 ARG HG3 3.850 . 4.040 3.286 2.752 3.806 . 0 0 "[ . 1 . 2]" 1
381 1 119 ILE MG 1 121 ARG HG3 4.030 . 4.230 2.828 2.125 3.664 . 0 0 "[ . 1 . 2]" 1
382 1 119 ILE MG 1 121 ARG HG2 4.030 . 4.230 3.148 2.555 3.705 . 0 0 "[ . 1 . 2]" 1
383 1 82 LYS HA 1 82 LYS HD2 5.500 . 5.780 4.675 3.907 5.248 . 0 0 "[ . 1 . 2]" 1
384 1 82 LYS HA 1 82 LYS HD3 5.500 . 5.780 4.051 3.321 5.183 . 0 0 "[ . 1 . 2]" 1
385 1 89 VAL H 1 89 VAL MG1 3.810 . 4.000 2.825 2.209 3.814 . 0 0 "[ . 1 . 2]" 1
386 1 89 VAL MG1 1 90 LYS H 4.090 . 4.290 2.583 2.049 3.425 . 0 0 "[ . 1 . 2]" 1
387 1 89 VAL HA 1 89 VAL MG1 3.250 . 3.410 2.955 2.409 3.236 . 0 0 "[ . 1 . 2]" 1
388 1 60 LEU HA 1 62 LEU QD 4.770 . 5.010 3.806 3.703 3.941 . 0 0 "[ . 1 . 2]" 1
389 1 62 LEU QD 1 87 ALA MB 3.210 . 3.370 3.145 3.004 3.275 . 0 0 "[ . 1 . 2]" 1
390 1 92 LEU H 1 92 LEU HG 4.500 . 4.730 4.480 4.222 4.553 . 0 0 "[ . 1 . 2]" 1
391 1 38 TYR HE2 1 92 LEU HG 3.960 . 4.160 3.067 2.459 3.680 . 0 0 "[ . 1 . 2]" 1
392 1 89 VAL HA 1 92 LEU HG 3.830 . 4.020 3.952 3.726 4.029 0.009 7 0 "[ . 1 . 2]" 1
393 1 38 TYR HB3 1 92 LEU HG 4.350 . 4.570 3.442 2.947 3.804 . 0 0 "[ . 1 . 2]" 1
394 1 38 TYR HB2 1 92 LEU HG 5.190 . 5.450 4.778 4.333 5.050 . 0 0 "[ . 1 . 2]" 1
395 1 48 PHE HE2 1 92 LEU MD2 3.870 . 4.060 3.246 2.039 3.872 . 0 0 "[ . 1 . 2]" 1
396 1 48 PHE HE1 1 92 LEU MD2 4.460 . 4.680 3.884 3.218 4.685 0.005 15 0 "[ . 1 . 2]" 1
397 1 38 TYR HE2 1 92 LEU MD2 3.980 . 4.180 3.309 2.573 3.792 . 0 0 "[ . 1 . 2]" 1
398 1 92 LEU HA 1 92 LEU MD2 3.460 . 3.630 2.030 1.970 2.135 . 0 0 "[ . 1 . 2]" 1
399 1 53 THR MG 1 92 LEU MD2 4.780 . 5.020 4.107 3.495 4.727 . 0 0 "[ . 1 . 2]" 1
400 1 93 HIS H 1 104 VAL MG1 4.800 . 5.040 4.816 4.265 5.044 0.004 19 0 "[ . 1 . 2]" 1
401 1 93 HIS HA 1 104 VAL MG1 4.280 . 4.490 3.407 2.765 4.252 . 0 0 "[ . 1 . 2]" 1
402 1 92 LEU MD1 1 104 VAL MG1 4.090 . 4.290 3.584 1.880 3.985 . 0 0 "[ . 1 . 2]" 1
403 1 55 LYS H 1 55 LYS HD2 5.500 . 5.780 4.973 4.554 5.816 0.036 7 0 "[ . 1 . 2]" 1
404 1 55 LYS H 1 55 LYS HD3 5.500 . 5.780 4.723 4.107 5.044 . 0 0 "[ . 1 . 2]" 1
405 1 117 PHE HB2 1 118 GLU HB3 5.500 . 5.780 5.136 5.046 5.279 . 0 0 "[ . 1 . 2]" 1
406 1 53 THR MG 1 117 PHE HB2 4.640 . 4.870 3.557 2.964 4.871 0.001 19 0 "[ . 1 . 2]" 1
407 1 53 THR MG 1 117 PHE HB3 4.640 . 4.870 2.637 2.092 3.488 . 0 0 "[ . 1 . 2]" 1
408 1 117 PHE HB3 1 118 GLU HB3 5.500 . 5.780 5.488 5.359 5.654 . 0 0 "[ . 1 . 2]" 1
409 1 69 ASN HB3 1 71 ASP H 4.010 . 4.210 2.638 2.333 3.087 . 0 0 "[ . 1 . 2]" 1
410 1 45 GLN H 1 45 GLN HG2 5.290 . 5.550 3.548 2.264 5.304 . 0 0 "[ . 1 . 2]" 1
411 1 45 GLN H 1 45 GLN HG3 5.290 . 5.550 3.778 2.234 4.812 . 0 0 "[ . 1 . 2]" 1
412 1 81 PRO HG2 1 85 VAL MG2 4.880 . 5.120 4.304 3.960 4.846 . 0 0 "[ . 1 . 2]" 1
413 1 81 PRO HG3 1 84 GLN H 5.060 . 5.310 4.417 4.222 4.954 . 0 0 "[ . 1 . 2]" 1
414 1 96 SER HA 1 97 PRO HG3 4.880 . 5.120 4.368 3.882 4.628 . 0 0 "[ . 1 . 2]" 1
415 1 96 SER HA 1 97 PRO HG2 4.880 . 5.120 4.415 4.213 4.636 . 0 0 "[ . 1 . 2]" 1
416 1 33 VAL H 1 33 VAL MG1 4.130 . 4.340 3.431 1.941 3.935 . 0 0 "[ . 1 . 2]" 1
417 1 53 THR MG 1 66 VAL HB 3.840 . 4.030 3.499 2.875 4.033 0.003 13 0 "[ . 1 . 2]" 1
418 1 53 THR MG 1 57 ALA MB 3.930 . 4.130 3.279 2.993 3.592 . 0 0 "[ . 1 . 2]" 1
419 1 53 THR HA 1 53 THR MG 3.550 . 3.730 2.370 2.320 2.429 . 0 0 "[ . 1 . 2]" 1
420 1 68 ASN H 1 120 ARG QB . . 4.570 2.994 2.241 3.539 . 0 0 "[ . 1 . 2]" 1
421 1 120 ARG QB 1 121 ARG H 5.080 . 5.330 3.092 2.837 3.904 . 0 0 "[ . 1 . 2]" 1
422 1 65 TYR QE 1 120 ARG QB . . 4.860 4.376 4.234 4.554 . 0 0 "[ . 1 . 2]" 1
423 1 67 THR HB 1 120 ARG QB 4.230 . 4.420 2.801 2.602 3.188 . 0 0 "[ . 1 . 2]" 1
424 1 120 ARG QB 1 121 ARG HA 4.460 . 4.680 4.135 3.953 4.451 . 0 0 "[ . 1 . 2]" 1
425 1 67 THR MG 1 120 ARG QB 4.520 . 4.750 3.665 3.567 3.802 . 0 0 "[ . 1 . 2]" 1
426 1 120 ARG H 1 120 ARG HG3 4.020 . 4.220 3.073 2.638 4.244 0.024 19 0 "[ . 1 . 2]" 1
427 1 120 ARG HG3 1 121 ARG H 5.040 . 5.290 4.585 3.804 4.825 . 0 0 "[ . 1 . 2]" 1
428 1 65 TYR QE 1 120 ARG QD 5.370 . 5.640 3.625 3.205 4.187 . 0 0 "[ . 1 . 2]" 1
429 1 65 TYR QD 1 120 ARG QD 5.300 . 5.570 4.314 3.782 4.924 . 0 0 "[ . 1 . 2]" 1
430 1 120 ARG H 1 120 ARG QD 5.080 . 5.320 4.000 3.831 4.368 . 0 0 "[ . 1 . 2]" 1
431 1 38 TYR H 1 38 TYR HD1 4.190 . 4.400 2.613 2.361 2.843 . 0 0 "[ . 1 . 2]" 1
432 1 38 TYR HD1 1 78 VAL H 4.700 . 4.930 3.124 2.720 3.549 . 0 0 "[ . 1 . 2]" 1
433 1 38 TYR HD1 1 106 ILE MG 3.630 . 3.810 3.219 2.907 3.754 . 0 0 "[ . 1 . 2]" 1
434 1 38 TYR HD2 1 92 LEU HG 4.000 . 4.200 1.826 1.790 1.927 0.010 2 0 "[ . 1 . 2]" 1
435 1 48 PHE HE2 1 91 TYR HE2 4.750 . 4.990 2.931 2.122 4.995 0.005 8 0 "[ . 1 . 2]" 1
436 1 91 TYR HE2 1 92 LEU HA 4.170 . 4.380 4.355 4.164 4.387 0.007 1 0 "[ . 1 . 2]" 1
437 1 91 TYR HE2 1 92 LEU MD2 3.450 . 3.620 3.203 2.697 3.623 0.003 2 0 "[ . 1 . 2]" 1
438 1 91 TYR HD2 1 92 LEU H 3.960 . 4.160 3.263 3.129 3.465 . 0 0 "[ . 1 . 2]" 1
439 1 91 TYR H 1 91 TYR HD2 4.260 . 4.470 4.424 4.290 4.477 0.007 15 0 "[ . 1 . 2]" 1
440 1 91 TYR HA 1 91 TYR HD1 4.030 . 4.230 2.905 2.777 3.029 . 0 0 "[ . 1 . 2]" 1
441 1 88 PHE HA 1 91 TYR HD2 4.190 . 4.400 3.633 3.260 4.166 . 0 0 "[ . 1 . 2]" 1
442 1 91 TYR HB2 1 91 TYR HD1 3.540 . 3.720 2.553 2.492 2.623 . 0 0 "[ . 1 . 2]" 1
443 1 56 GLU QG 1 91 TYR HD2 4.000 . 4.200 3.327 2.985 3.762 . 0 0 "[ . 1 . 2]" 1
444 1 91 TYR HD2 1 92 LEU MD1 4.920 . 5.170 4.914 4.271 5.174 0.004 19 0 "[ . 1 . 2]" 1
445 1 91 TYR HD2 1 92 LEU MD2 3.850 . 4.040 2.846 2.118 3.127 . 0 0 "[ . 1 . 2]" 1
446 1 49 PHE HB2 1 52 TYR QE 4.650 . 4.880 3.948 3.446 4.475 . 0 0 "[ . 1 . 2]" 1
447 1 49 PHE HB3 1 52 TYR QE 4.650 . 4.880 4.145 3.580 4.758 . 0 0 "[ . 1 . 2]" 1
448 1 49 PHE HB2 1 52 TYR QD 3.960 . 4.160 2.155 1.790 3.241 0.010 6 0 "[ . 1 . 2]" 1
449 1 49 PHE HB3 1 52 TYR QD 3.960 . 4.160 2.913 1.792 3.596 0.008 14 0 "[ . 1 . 2]" 1
450 1 93 HIS H 1 93 HIS HD2 4.210 . 4.420 2.951 2.510 3.612 . 0 0 "[ . 1 . 2]" 1
451 1 89 VAL MG1 1 93 HIS HD2 5.150 . 5.410 4.056 2.263 5.409 . 0 0 "[ . 1 . 2]" 1
452 1 92 LEU MD1 1 93 HIS HD2 4.200 . 4.410 4.095 3.281 4.411 0.001 12 0 "[ . 1 . 2]" 1
453 1 62 LEU HB2 1 88 PHE QD 4.530 . 4.760 3.328 2.973 3.808 . 0 0 "[ . 1 . 2]" 1
454 1 62 LEU QD 1 88 PHE QD 3.790 . 3.980 2.245 2.088 2.392 . 0 0 "[ . 1 . 2]" 1
455 1 38 TYR HE1 1 106 ILE MG 3.670 . 3.850 3.216 2.806 3.765 . 0 0 "[ . 1 . 2]" 1
456 1 65 TYR QE 1 76 GLY QA 3.640 . 3.820 2.979 2.655 3.412 . 0 0 "[ . 1 . 2]" 1
457 1 65 TYR QE 1 67 THR HB 3.800 . 3.990 2.180 1.856 2.363 . 0 0 "[ . 1 . 2]" 1
458 1 48 PHE HZ 1 92 LEU MD2 4.220 . 4.430 2.200 1.887 2.897 . 0 0 "[ . 1 . 2]" 1
459 1 48 PHE HE2 1 74 VAL HB 5.500 . 5.780 5.613 4.303 5.788 0.008 17 0 "[ . 1 . 2]" 1
460 1 48 PHE HE1 1 74 VAL HB 5.500 . 5.780 5.015 4.255 5.786 0.006 18 0 "[ . 1 . 2]" 1
461 1 62 LEU QD 1 88 PHE QE 3.560 . 3.740 3.645 3.544 3.664 . 0 0 "[ . 1 . 2]" 1
462 1 11 THR H 1 11 THR MG 3.850 . 4.040 2.978 2.007 3.932 . 0 0 "[ . 1 . 2]" 1
463 1 11 THR HA 1 12 LEU H 2.680 . 2.810 2.290 2.094 2.630 . 0 0 "[ . 1 . 2]" 1
464 1 14 ALA HA 1 15 GLN H 2.930 . 3.080 2.332 2.140 2.765 . 0 0 "[ . 1 . 2]" 1
465 1 15 GLN H 1 15 GLN HG2 5.040 . 5.290 3.078 1.929 4.079 . 0 0 "[ . 1 . 2]" 1
466 1 15 GLN H 1 15 GLN HG3 5.040 . 5.290 2.957 2.152 4.274 . 0 0 "[ . 1 . 2]" 1
467 1 15 GLN H 1 15 GLN HB2 3.730 . 3.920 3.217 2.446 3.935 0.015 2 0 "[ . 1 . 2]" 1
468 1 15 GLN H 1 15 GLN HB3 3.730 . 3.920 3.337 2.536 3.806 . 0 0 "[ . 1 . 2]" 1
469 1 14 ALA MB 1 15 GLN H 3.680 . 3.860 2.810 1.939 3.641 . 0 0 "[ . 1 . 2]" 1
470 1 15 GLN HA 1 16 THR H 2.730 . 2.870 2.390 2.141 2.908 0.038 15 0 "[ . 1 . 2]" 1
471 1 15 GLN HG2 1 16 THR H 5.500 . 5.780 4.575 3.634 5.291 . 0 0 "[ . 1 . 2]" 1
472 1 15 GLN HG3 1 16 THR H 5.500 . 5.780 4.509 3.027 5.784 0.004 18 0 "[ . 1 . 2]" 1
473 1 15 GLN HB2 1 16 THR H 4.070 . 4.270 3.196 2.063 4.303 0.033 18 0 "[ . 1 . 2]" 1
474 1 17 GLN HA 1 18 GLY H 2.920 . 3.070 2.482 2.142 3.081 0.011 6 0 "[ . 1 . 2]" 1
475 1 17 GLN HB3 1 18 GLY H 4.500 . 4.730 3.435 1.941 4.511 . 0 0 "[ . 1 . 2]" 1
476 1 17 GLN HB2 1 18 GLY H 4.500 . 4.730 3.393 1.810 4.444 . 0 0 "[ . 1 . 2]" 1
477 1 17 GLN HG2 1 18 GLY H 5.500 . 5.780 4.156 2.319 5.198 . 0 0 "[ . 1 . 2]" 1
478 1 17 GLN HG3 1 18 GLY H 5.500 . 5.780 3.908 2.530 5.552 . 0 0 "[ . 1 . 2]" 1
479 1 19 PRO HA 1 20 GLY H 3.510 . 3.690 3.101 2.687 3.569 . 0 0 "[ . 1 . 2]" 1
480 1 19 PRO HG2 1 20 GLY H 4.300 . 4.520 3.218 1.802 4.350 . 0 0 "[ . 1 . 2]" 1
481 1 20 GLY HA2 1 21 SER H 3.490 . 3.660 2.854 2.248 3.552 . 0 0 "[ . 1 . 2]" 1
482 1 20 GLY HA3 1 21 SER H 3.490 . 3.660 2.686 2.153 3.546 . 0 0 "[ . 1 . 2]" 1
483 1 23 GLN HA 1 24 GLY H 2.920 . 3.070 2.319 2.128 2.667 . 0 0 "[ . 1 . 2]" 1
484 1 23 GLN HG2 1 24 GLY H 5.500 . 5.780 4.021 1.978 5.162 . 0 0 "[ . 1 . 2]" 1
485 1 23 GLN HG3 1 24 GLY H 5.500 . 5.780 3.947 2.534 5.203 . 0 0 "[ . 1 . 2]" 1
486 1 34 THR H 1 80 GLY H 3.460 . 3.630 3.115 2.563 3.469 . 0 0 "[ . 1 . 2]" 1
487 1 34 THR H 1 79 GLN HA 5.190 . 5.450 4.893 4.389 5.154 . 0 0 "[ . 1 . 2]" 1
488 1 33 VAL HA 1 34 THR H 2.780 . 2.920 2.154 2.070 2.252 . 0 0 "[ . 1 . 2]" 1
489 1 34 THR H 1 34 THR HB 3.220 . 3.380 2.563 2.454 2.756 . 0 0 "[ . 1 . 2]" 1
490 1 33 VAL HB 1 34 THR H 4.100 . 4.300 4.216 3.817 4.323 0.023 8 0 "[ . 1 . 2]" 1
491 1 34 THR H 1 34 THR MG 3.880 . 4.070 3.806 3.771 3.890 . 0 0 "[ . 1 . 2]" 1
492 1 33 VAL MG1 1 34 THR H 4.220 . 4.430 3.228 2.243 4.151 . 0 0 "[ . 1 . 2]" 1
493 1 35 THR H 1 36 LEU H 4.510 . 4.740 4.271 4.167 4.381 . 0 0 "[ . 1 . 2]" 1
494 1 34 THR H 1 35 THR H 4.460 . 4.680 4.475 4.334 4.600 . 0 0 "[ . 1 . 2]" 1
495 1 35 THR H 1 79 GLN HA 4.920 . 5.170 4.637 4.447 4.822 . 0 0 "[ . 1 . 2]" 1
496 1 34 THR HA 1 35 THR H 2.680 . 2.810 2.211 2.094 2.364 . 0 0 "[ . 1 . 2]" 1
497 1 35 THR H 1 35 THR HB 3.230 . 3.390 2.741 2.576 2.883 . 0 0 "[ . 1 . 2]" 1
498 1 36 LEU H 1 80 GLY H 5.500 . 5.780 5.464 5.186 5.704 . 0 0 "[ . 1 . 2]" 1
499 1 36 LEU H 1 79 GLN HA 4.260 . 4.470 3.711 3.570 3.857 . 0 0 "[ . 1 . 2]" 1
500 1 35 THR HA 1 36 LEU H 3.190 . 3.350 2.146 2.124 2.165 . 0 0 "[ . 1 . 2]" 1
501 1 35 THR HB 1 36 LEU H 4.570 . 4.800 4.168 4.042 4.248 . 0 0 "[ . 1 . 2]" 1
502 1 36 LEU H 1 85 VAL MG1 4.230 . 4.440 3.837 3.516 4.181 . 0 0 "[ . 1 . 2]" 1
503 1 36 LEU H 1 37 CYS H 4.550 . 4.780 4.281 4.238 4.345 . 0 0 "[ . 1 . 2]" 1
504 1 37 CYS H 1 38 TYR H 4.930 . 5.180 4.549 4.511 4.579 . 0 0 "[ . 1 . 2]" 1
505 1 36 LEU HA 1 37 CYS H 3.030 . 3.180 2.205 2.164 2.303 . 0 0 "[ . 1 . 2]" 1
506 1 37 CYS H 1 108 ALA HA 4.320 . 4.540 4.525 4.344 4.562 0.022 10 0 "[ . 1 . 2]" 1
507 1 75 SER H 1 76 GLY QA 5.330 . 5.600 4.610 4.502 4.688 . 0 0 "[ . 1 . 2]" 1
508 1 74 VAL HB 1 75 SER H 4.450 . 4.670 4.196 3.982 4.327 . 0 0 "[ . 1 . 2]" 1
509 1 38 TYR H 1 78 VAL H 4.950 . 5.200 4.099 3.795 4.339 . 0 0 "[ . 1 . 2]" 1
510 1 37 CYS HA 1 38 TYR H 3.060 . 3.210 2.203 2.174 2.249 . 0 0 "[ . 1 . 2]" 1
511 1 38 TYR HA 1 39 ARG H 3.230 . 3.390 2.187 2.159 2.214 . 0 0 "[ . 1 . 2]" 1
512 1 39 ARG H 1 106 ILE HA 4.300 . 4.520 3.463 3.356 3.602 . 0 0 "[ . 1 . 2]" 1
513 1 39 ARG H 1 105 SER HB3 5.090 . 5.340 4.918 4.779 5.106 . 0 0 "[ . 1 . 2]" 1
514 1 39 ARG H 1 105 SER HB2 5.000 . 5.250 3.747 3.474 3.958 . 0 0 "[ . 1 . 2]" 1
515 1 38 TYR HB3 1 39 ARG H 3.920 . 4.120 3.015 2.819 3.152 . 0 0 "[ . 1 . 2]" 1
516 1 38 TYR HB2 1 39 ARG H 4.270 . 4.480 4.130 3.990 4.236 . 0 0 "[ . 1 . 2]" 1
517 1 39 ARG H 1 40 VAL HB 4.610 . 4.840 4.586 4.356 4.806 . 0 0 "[ . 1 . 2]" 1
518 1 39 ARG H 1 39 ARG HB3 3.950 . 4.150 2.908 2.821 2.991 . 0 0 "[ . 1 . 2]" 1
519 1 39 ARG H 1 39 ARG HG3 4.970 . 5.220 4.786 4.677 4.911 . 0 0 "[ . 1 . 2]" 1
520 1 39 ARG H 1 39 ARG HG2 5.070 . 5.320 4.489 4.302 4.582 . 0 0 "[ . 1 . 2]" 1
521 1 39 ARG H 1 106 ILE MG 4.500 . 4.730 4.684 4.521 4.737 0.007 2 0 "[ . 1 . 2]" 1
522 1 40 VAL H 1 74 VAL H 3.860 . 4.050 3.188 2.584 3.436 . 0 0 "[ . 1 . 2]" 1
523 1 39 ARG H 1 40 VAL H 4.730 . 4.970 3.917 3.847 4.157 . 0 0 "[ . 1 . 2]" 1
524 1 40 VAL H 1 76 GLY H 5.500 . 5.780 5.578 5.327 5.786 0.006 11 0 "[ . 1 . 2]" 1
525 1 40 VAL H 1 75 SER HB2 5.500 . 5.780 5.527 4.474 5.794 0.014 9 0 "[ . 1 . 2]" 1
526 1 40 VAL H 1 75 SER HB3 5.500 . 5.780 4.926 4.257 5.794 0.014 3 0 "[ . 1 . 2]" 1
527 1 40 VAL H 1 40 VAL HB 3.470 . 3.640 2.981 2.874 3.193 . 0 0 "[ . 1 . 2]" 1
528 1 39 ARG HB3 1 40 VAL H 4.540 . 4.770 4.375 4.231 4.479 . 0 0 "[ . 1 . 2]" 1
529 1 39 ARG HG3 1 40 VAL H 3.850 . 4.040 3.440 2.972 3.877 . 0 0 "[ . 1 . 2]" 1
530 1 39 ARG HG2 1 40 VAL H 4.020 . 4.220 3.617 3.300 3.915 . 0 0 "[ . 1 . 2]" 1
531 1 40 VAL H 1 74 VAL MG1 5.020 . 5.270 4.251 4.127 4.359 . 0 0 "[ . 1 . 2]" 1
532 1 40 VAL H 1 74 VAL MG2 5.020 . 5.270 4.625 4.346 4.895 . 0 0 "[ . 1 . 2]" 1
533 1 40 VAL H 1 41 THR H 4.930 . 5.180 4.449 4.387 4.506 . 0 0 "[ . 1 . 2]" 1
534 1 41 THR H 1 102 LYS H 4.810 . 5.050 4.029 3.656 4.371 . 0 0 "[ . 1 . 2]" 1
535 1 41 THR H 1 105 SER H 5.360 . 5.630 4.912 4.628 5.392 . 0 0 "[ . 1 . 2]" 1
536 1 41 THR H 1 42 GLY H 4.590 . 4.820 4.447 4.274 4.548 . 0 0 "[ . 1 . 2]" 1
537 1 41 THR H 1 103 LYS H 3.640 . 3.820 2.839 2.658 3.155 . 0 0 "[ . 1 . 2]" 1
538 1 40 VAL HB 1 41 THR H 4.200 . 4.410 4.069 3.963 4.238 . 0 0 "[ . 1 . 2]" 1
539 1 39 ARG HG2 1 41 THR H 5.500 . 5.780 4.996 4.497 5.409 . 0 0 "[ . 1 . 2]" 1
540 1 41 THR H 1 104 VAL HB 5.500 . 5.780 5.133 4.774 5.807 0.027 5 0 "[ . 1 . 2]" 1
541 1 41 THR H 1 41 THR MG 3.550 . 3.730 2.806 2.041 3.781 0.051 4 0 "[ . 1 . 2]" 1
542 1 40 VAL MG1 1 41 THR H 3.430 . 3.600 3.608 3.588 3.614 0.014 4 0 "[ . 1 . 2]" 1
543 1 42 GLY H 1 102 LYS H 4.890 . 5.130 4.475 4.017 5.008 . 0 0 "[ . 1 . 2]" 1
544 1 41 THR HB 1 42 GLY H 3.550 . 3.730 3.253 2.680 3.747 0.017 7 0 "[ . 1 . 2]" 1
545 1 40 VAL MG2 1 42 GLY H 5.270 . 5.530 4.608 3.925 5.008 . 0 0 "[ . 1 . 2]" 1
546 1 53 THR H 1 53 THR MG 3.880 . 4.070 3.771 3.756 3.781 . 0 0 "[ . 1 . 2]" 1
547 1 52 TYR HB3 1 53 THR H 4.780 . 5.020 3.757 3.559 3.946 . 0 0 "[ . 1 . 2]" 1
548 1 52 TYR HB2 1 53 THR H 4.780 . 5.020 2.817 2.559 3.015 . 0 0 "[ . 1 . 2]" 1
549 1 53 THR H 1 53 THR HB 3.690 . 3.870 2.631 2.540 2.774 . 0 0 "[ . 1 . 2]" 1
550 1 55 LYS H 1 55 LYS HB3 4.080 . 4.280 2.581 2.218 3.615 . 0 0 "[ . 1 . 2]" 1
551 1 56 GLU H 1 57 ALA H 3.500 . 3.670 2.780 2.694 2.863 . 0 0 "[ . 1 . 2]" 1
552 1 55 LYS H 1 56 GLU H 3.580 . 3.760 2.796 2.697 2.884 . 0 0 "[ . 1 . 2]" 1
553 1 56 GLU H 1 59 ALA MB 4.740 . 4.980 4.683 4.509 4.861 . 0 0 "[ . 1 . 2]" 1
554 1 56 GLU H 1 56 GLU HB2 3.400 . 3.570 2.444 2.375 2.564 . 0 0 "[ . 1 . 2]" 1
555 1 56 GLU H 1 56 GLU HB3 3.400 . 3.570 2.581 2.513 2.644 . 0 0 "[ . 1 . 2]" 1
556 1 33 VAL H 1 34 THR H 4.460 . 4.680 4.213 3.804 4.537 . 0 0 "[ . 1 . 2]" 1
557 1 32 ASP HB2 1 33 VAL H 4.320 . 4.540 3.230 2.745 4.167 . 0 0 "[ . 1 . 2]" 1
558 1 32 ASP HB3 1 33 VAL H 4.320 . 4.540 3.610 2.758 4.069 . 0 0 "[ . 1 . 2]" 1
559 1 33 VAL H 1 33 VAL HB 3.310 . 3.480 2.745 2.582 3.250 . 0 0 "[ . 1 . 2]" 1
560 1 33 VAL H 1 33 VAL MG2 4.130 . 4.340 2.880 2.111 3.965 . 0 0 "[ . 1 . 2]" 1
561 1 57 ALA H 1 58 ASP H 3.680 . 3.860 2.736 2.627 2.825 . 0 0 "[ . 1 . 2]" 1
562 1 56 GLU H 1 58 ASP H 4.530 . 4.760 4.147 3.977 4.268 . 0 0 "[ . 1 . 2]" 1
563 1 58 ASP H 1 58 ASP HB2 3.660 . 3.840 2.548 2.289 2.668 . 0 0 "[ . 1 . 2]" 1
564 1 58 ASP H 1 58 ASP HB3 3.660 . 3.840 2.670 2.391 3.621 . 0 0 "[ . 1 . 2]" 1
565 1 58 ASP H 1 59 ALA MB 4.340 . 4.560 4.304 4.188 4.405 . 0 0 "[ . 1 . 2]" 1
566 1 58 ASP H 1 59 ALA H 3.330 . 3.500 2.609 2.498 2.717 . 0 0 "[ . 1 . 2]" 1
567 1 59 ALA H 1 60 LEU H 3.180 . 3.340 2.668 2.577 2.784 . 0 0 "[ . 1 . 2]" 1
568 1 58 ASP HB3 1 59 ALA H 4.100 . 4.300 2.801 2.525 3.662 . 0 0 "[ . 1 . 2]" 1
569 1 58 ASP HB2 1 59 ALA H 4.100 . 4.300 3.740 2.589 4.075 . 0 0 "[ . 1 . 2]" 1
570 1 57 ALA MB 1 59 ALA H 4.860 . 5.100 4.529 4.330 4.660 . 0 0 "[ . 1 . 2]" 1
571 1 58 ASP H 1 60 LEU H 4.990 . 5.240 4.283 4.014 4.475 . 0 0 "[ . 1 . 2]" 1
572 1 60 LEU H 1 62 LEU QD 4.020 . 4.220 3.411 3.106 3.602 . 0 0 "[ . 1 . 2]" 1
573 1 61 SER H 1 62 LEU H 3.370 . 3.540 2.626 2.515 2.802 . 0 0 "[ . 1 . 2]" 1
574 1 60 LEU H 1 61 SER H 3.130 . 3.290 2.373 2.265 2.448 . 0 0 "[ . 1 . 2]" 1
575 1 61 SER H 1 61 SER HA 2.730 . 2.870 2.259 2.248 2.267 . 0 0 "[ . 1 . 2]" 1
576 1 82 LYS H 1 84 GLN H 5.000 . 5.250 4.515 4.193 4.714 . 0 0 "[ . 1 . 2]" 1
577 1 84 GLN H 1 86 ASP H 5.270 . 5.530 3.923 3.741 4.085 . 0 0 "[ . 1 . 2]" 1
578 1 81 PRO HD3 1 84 GLN H 5.500 . 5.780 5.554 5.365 5.734 . 0 0 "[ . 1 . 2]" 1
579 1 82 LYS HA 1 84 GLN H 5.500 . 5.780 4.504 4.226 4.710 . 0 0 "[ . 1 . 2]" 1
580 1 81 PRO HD2 1 84 GLN H 4.800 . 5.040 4.650 3.869 5.040 . 19 0 "[ . 1 . 2]" 1
581 1 84 GLN H 1 84 GLN HG2 4.450 . 4.670 3.951 3.725 4.123 . 0 0 "[ . 1 . 2]" 1
582 1 84 GLN H 1 84 GLN HB2 3.410 . 3.580 2.266 2.152 2.336 . 0 0 "[ . 1 . 2]" 1
583 1 81 PRO HG2 1 84 GLN H 3.410 . 3.580 2.884 2.611 3.536 . 0 0 "[ . 1 . 2]" 1
584 1 84 GLN H 1 85 VAL MG2 4.320 . 4.540 3.965 3.875 4.059 . 0 0 "[ . 1 . 2]" 1
585 1 63 VAL H 1 79 GLN H 3.680 . 3.860 3.056 2.745 3.314 . 0 0 "[ . 1 . 2]" 1
586 1 63 VAL H 1 63 VAL HB 4.180 . 4.390 3.782 3.750 3.832 . 0 0 "[ . 1 . 2]" 1
587 1 63 VAL H 1 79 GLN HG3 4.690 . 4.920 4.398 3.340 4.863 . 0 0 "[ . 1 . 2]" 1
588 1 62 LEU HB3 1 63 VAL H 3.340 . 3.510 3.094 2.795 3.178 . 0 0 "[ . 1 . 2]" 1
589 1 63 VAL H 1 63 VAL MG2 3.140 . 3.300 2.105 2.027 2.187 . 0 0 "[ . 1 . 2]" 1
590 1 63 VAL H 1 63 VAL MG1 3.140 . 3.300 2.748 2.541 2.905 . 0 0 "[ . 1 . 2]" 1
591 1 62 LEU HG 1 63 VAL H 5.100 . 5.350 5.102 4.862 5.196 . 0 0 "[ . 1 . 2]" 1
592 1 64 GLY H 1 65 TYR H 4.750 . 4.990 4.274 4.155 4.355 . 0 0 "[ . 1 . 2]" 1
593 1 63 VAL HB 1 64 GLY H 3.330 . 3.500 2.478 2.153 2.701 . 0 0 "[ . 1 . 2]" 1
594 1 63 VAL MG2 1 64 GLY H 4.170 . 4.380 3.406 3.155 3.604 . 0 0 "[ . 1 . 2]" 1
595 1 65 TYR H 1 77 VAL H 3.340 . 3.510 2.580 2.455 2.706 . 0 0 "[ . 1 . 2]" 1
596 1 64 GLY HA2 1 65 TYR H 3.300 . 3.470 3.141 3.062 3.273 . 0 0 "[ . 1 . 2]" 1
597 1 65 TYR H 1 76 GLY QA 4.820 . 5.060 4.133 4.064 4.221 . 0 0 "[ . 1 . 2]" 1
598 1 64 GLY HA3 1 65 TYR H 3.300 . 3.470 2.195 2.170 2.228 . 0 0 "[ . 1 . 2]" 1
599 1 65 TYR H 1 77 VAL HB 4.200 . 4.410 3.316 3.121 3.575 . 0 0 "[ . 1 . 2]" 1
600 1 66 VAL H 1 117 PHE QD 4.320 . 4.540 4.029 2.683 4.237 . 0 0 "[ . 1 . 2]" 1
601 1 66 VAL H 1 117 PHE HA 4.310 . 4.530 1.862 1.795 1.968 0.005 17 0 "[ . 1 . 2]" 1
602 1 66 VAL H 1 118 GLU HB3 5.500 . 5.780 5.698 5.366 5.787 0.007 5 0 "[ . 1 . 2]" 1
603 1 66 VAL H 1 119 ILE MD 5.500 . 5.780 5.750 5.595 5.795 0.015 16 0 "[ . 1 . 2]" 1
604 1 67 THR H 1 75 SER H 3.640 . 3.820 3.248 3.017 3.421 . 0 0 "[ . 1 . 2]" 1
605 1 66 VAL H 1 67 THR H 4.550 . 4.780 4.367 4.308 4.396 . 0 0 "[ . 1 . 2]" 1
606 1 65 TYR QE 1 67 THR H 4.460 . 4.680 4.393 4.044 4.531 . 0 0 "[ . 1 . 2]" 1
607 1 66 VAL HA 1 67 THR H 3.080 . 3.230 2.231 2.168 2.295 . 0 0 "[ . 1 . 2]" 1
608 1 67 THR H 1 67 THR HB 4.090 . 4.290 3.411 3.288 3.473 . 0 0 "[ . 1 . 2]" 1
609 1 67 THR H 1 76 GLY QA 4.600 . 4.830 3.355 3.162 3.455 . 0 0 "[ . 1 . 2]" 1
610 1 66 VAL HB 1 67 THR H 4.240 . 4.450 4.095 3.968 4.197 . 0 0 "[ . 1 . 2]" 1
611 1 66 VAL MG1 1 67 THR H 4.690 . 4.920 2.314 2.102 2.972 . 0 0 "[ . 1 . 2]" 1
612 1 67 THR H 1 67 THR MG 3.200 . 3.360 2.496 2.353 2.598 . 0 0 "[ . 1 . 2]" 1
613 1 67 THR H 1 119 ILE MG 5.500 . 5.780 5.762 5.558 5.794 0.014 18 0 "[ . 1 . 2]" 1
614 1 67 THR H 1 68 ASN H 4.720 . 4.960 4.364 4.338 4.404 . 0 0 "[ . 1 . 2]" 1
615 1 67 THR HB 1 68 ASN H 4.230 . 4.440 3.839 3.808 3.875 . 0 0 "[ . 1 . 2]" 1
616 1 68 ASN H 1 68 ASN HB2 3.510 . 3.690 2.934 2.735 3.126 . 0 0 "[ . 1 . 2]" 1
617 1 68 ASN H 1 68 ASN HB3 3.510 . 3.690 2.557 2.352 2.838 . 0 0 "[ . 1 . 2]" 1
618 1 68 ASN H 1 120 ARG HG3 5.500 . 5.780 5.069 4.264 5.564 . 0 0 "[ . 1 . 2]" 1
619 1 68 ASN H 1 119 ILE MG 4.590 . 4.820 3.461 3.030 4.069 . 0 0 "[ . 1 . 2]" 1
620 1 68 ASN HD21 1 69 ASN H 3.690 . 3.870 2.694 1.854 3.880 0.010 13 0 "[ . 1 . 2]" 1
621 1 68 ASN HD22 1 69 ASN H 3.690 . 3.870 3.152 2.477 3.872 0.002 12 0 "[ . 1 . 2]" 1
622 1 69 ASN H 1 71 ASP H 5.500 . 5.780 4.720 4.427 5.327 . 0 0 "[ . 1 . 2]" 1
623 1 68 ASN H 1 69 ASN H 4.860 . 5.100 4.488 4.181 4.565 . 0 0 "[ . 1 . 2]" 1
624 1 68 ASN HA 1 69 ASN H 3.030 . 3.180 2.291 2.144 2.424 . 0 0 "[ . 1 . 2]" 1
625 1 69 ASN H 1 69 ASN HB2 3.280 . 3.440 2.598 2.405 2.750 . 0 0 "[ . 1 . 2]" 1
626 1 69 ASN H 1 119 ILE MG 5.270 . 5.530 5.220 4.845 5.533 0.003 12 0 "[ . 1 . 2]" 1
627 1 69 ASN HA 1 70 GLU H 3.390 . 3.560 2.314 2.223 2.424 . 0 0 "[ . 1 . 2]" 1
628 1 69 ASN HB2 1 70 GLU H 3.910 . 4.110 3.808 3.579 4.113 0.003 3 0 "[ . 1 . 2]" 1
629 1 70 GLU H 1 70 GLU HG2 4.620 . 4.850 3.055 2.053 4.515 . 0 0 "[ . 1 . 2]" 1
630 1 70 GLU H 1 70 GLU HG3 4.620 . 4.850 3.739 3.059 4.466 . 0 0 "[ . 1 . 2]" 1
631 1 70 GLU H 1 71 ASP H 3.740 . 3.930 2.697 2.516 2.879 . 0 0 "[ . 1 . 2]" 1
632 1 71 ASP H 1 73 SER H 4.410 . 4.630 3.811 3.492 4.290 . 0 0 "[ . 1 . 2]" 1
633 1 71 ASP H 1 72 GLY H 3.180 . 3.340 2.643 2.516 2.937 . 0 0 "[ . 1 . 2]" 1
634 1 69 ASN HA 1 71 ASP H 4.360 . 4.580 4.014 3.679 4.586 0.006 11 0 "[ . 1 . 2]" 1
635 1 71 ASP H 1 71 ASP HB2 3.820 . 4.010 2.636 2.366 3.633 . 0 0 "[ . 1 . 2]" 1
636 1 69 ASN HB2 1 71 ASP H 3.510 . 3.690 3.162 2.849 3.691 0.001 11 0 "[ . 1 . 2]" 1
637 1 71 ASP H 1 71 ASP HB3 3.820 . 4.010 3.203 2.365 3.611 . 0 0 "[ . 1 . 2]" 1
638 1 72 GLY H 1 73 SER H 3.140 . 3.300 2.378 2.216 2.779 . 0 0 "[ . 1 . 2]" 1
639 1 70 GLU H 1 72 GLY H 5.290 . 5.550 4.258 4.012 4.451 . 0 0 "[ . 1 . 2]" 1
640 1 71 ASP HA 1 72 GLY H 3.570 . 3.750 3.357 3.126 3.443 . 0 0 "[ . 1 . 2]" 1
641 1 70 GLU HA 1 72 GLY H 4.000 . 4.200 3.463 3.092 4.042 . 0 0 "[ . 1 . 2]" 1
642 1 69 ASN HB2 1 72 GLY H 4.890 . 5.130 3.744 3.214 4.531 . 0 0 "[ . 1 . 2]" 1
643 1 70 GLU HG2 1 72 GLY H 5.500 . 5.780 5.127 4.562 5.562 . 0 0 "[ . 1 . 2]" 1
644 1 70 GLU HG3 1 72 GLY H 5.500 . 5.780 5.077 4.593 5.677 . 0 0 "[ . 1 . 2]" 1
645 1 74 VAL H 1 75 SER H 4.890 . 5.130 4.389 4.091 4.521 . 0 0 "[ . 1 . 2]" 1
646 1 40 VAL HB 1 74 VAL H 5.500 . 5.780 5.050 4.730 5.326 . 0 0 "[ . 1 . 2]" 1
647 1 74 VAL H 1 74 VAL HB 3.820 . 4.010 2.597 2.530 2.767 . 0 0 "[ . 1 . 2]" 1
648 1 38 TYR H 1 76 GLY H 3.710 . 3.900 3.084 2.869 3.255 . 0 0 "[ . 1 . 2]" 1
649 1 75 SER H 1 76 GLY H 5.070 . 5.320 4.457 4.393 4.521 . 0 0 "[ . 1 . 2]" 1
650 1 76 GLY H 1 77 VAL H 4.610 . 4.840 4.343 4.302 4.376 . 0 0 "[ . 1 . 2]" 1
651 1 75 SER HA 1 76 GLY H 3.180 . 3.340 2.348 2.232 2.496 . 0 0 "[ . 1 . 2]" 1
652 1 75 SER HB2 1 76 GLY H 4.970 . 5.220 3.008 2.416 3.835 . 0 0 "[ . 1 . 2]" 1
653 1 75 SER HB3 1 76 GLY H 4.970 . 5.220 3.542 2.436 3.898 . 0 0 "[ . 1 . 2]" 1
654 1 76 GLY QA 1 77 VAL H 3.320 . 3.490 2.256 2.229 2.276 . 0 0 "[ . 1 . 2]" 1
655 1 77 VAL H 1 78 VAL H 4.520 . 4.750 4.301 4.247 4.355 . 0 0 "[ . 1 . 2]" 1
656 1 77 VAL HA 1 78 VAL H 3.110 . 3.270 2.198 2.167 2.228 . 0 0 "[ . 1 . 2]" 1
657 1 77 VAL HB 1 78 VAL H 4.120 . 4.330 4.006 3.887 4.092 . 0 0 "[ . 1 . 2]" 1
658 1 78 VAL H 1 79 GLN H 4.600 . 4.830 4.435 4.370 4.476 . 0 0 "[ . 1 . 2]" 1
659 1 78 VAL HA 1 79 GLN H 3.170 . 3.330 2.206 2.163 2.257 . 0 0 "[ . 1 . 2]" 1
660 1 79 GLN H 1 79 GLN HG2 4.050 . 4.250 3.473 2.441 3.977 . 0 0 "[ . 1 . 2]" 1
661 1 79 GLN H 1 79 GLN HG3 3.760 . 3.950 2.562 2.326 2.819 . 0 0 "[ . 1 . 2]" 1
662 1 79 GLN HA 1 80 GLY H 3.220 . 3.380 2.226 2.145 2.329 . 0 0 "[ . 1 . 2]" 1
663 1 35 THR HA 1 80 GLY H 4.400 . 4.620 3.714 3.431 3.893 . 0 0 "[ . 1 . 2]" 1
664 1 79 GLN HB2 1 80 GLY H 4.020 . 4.220 3.637 2.658 4.005 . 0 0 "[ . 1 . 2]" 1
665 1 79 GLN HG2 1 80 GLY H 5.050 . 5.300 4.959 4.456 5.258 . 0 0 "[ . 1 . 2]" 1
666 1 79 GLN HB3 1 80 GLY H 4.020 . 4.220 3.333 2.801 4.052 . 0 0 "[ . 1 . 2]" 1
667 1 79 GLN HG3 1 80 GLY H 5.130 . 5.390 5.121 4.558 5.321 . 0 0 "[ . 1 . 2]" 1
668 1 83 GLU HA 1 86 ASP H 3.960 . 4.160 3.466 3.204 3.764 . 0 0 "[ . 1 . 2]" 1
669 1 82 LYS HA 1 86 ASP H 4.360 . 4.580 3.840 3.477 4.303 . 0 0 "[ . 1 . 2]" 1
670 1 86 ASP H 1 86 ASP HB2 3.320 . 3.490 2.561 2.269 2.726 . 0 0 "[ . 1 . 2]" 1
671 1 86 ASP H 1 86 ASP HB3 3.530 . 3.710 2.499 2.328 2.792 . 0 0 "[ . 1 . 2]" 1
672 1 85 VAL HB 1 86 ASP H 3.480 . 3.650 2.574 2.451 2.722 . 0 0 "[ . 1 . 2]" 1
673 1 85 VAL MG2 1 86 ASP H 3.870 . 4.060 3.804 3.718 3.879 . 0 0 "[ . 1 . 2]" 1
674 1 81 PRO HA 1 82 LYS H 3.540 . 3.720 2.192 2.139 2.236 . 0 0 "[ . 1 . 2]" 1
675 1 82 LYS H 1 83 GLU HA 5.500 . 5.780 5.394 5.137 5.494 . 0 0 "[ . 1 . 2]" 1
676 1 81 PRO HB2 1 82 LYS H 3.790 . 3.980 3.369 3.071 3.640 . 0 0 "[ . 1 . 2]" 1
677 1 82 LYS H 1 82 LYS HB3 4.000 . 4.200 2.603 2.369 2.877 . 0 0 "[ . 1 . 2]" 1
678 1 82 LYS H 1 82 LYS HD2 5.500 . 5.780 4.210 2.384 4.977 . 0 0 "[ . 1 . 2]" 1
679 1 82 LYS H 1 82 LYS HD3 5.500 . 5.780 4.261 3.058 4.935 . 0 0 "[ . 1 . 2]" 1
680 1 82 LYS H 1 85 VAL MG2 5.180 . 5.440 4.112 3.786 4.403 . 0 0 "[ . 1 . 2]" 1
681 1 82 LYS H 1 83 GLU H 3.500 . 3.670 2.836 2.516 2.981 . 0 0 "[ . 1 . 2]" 1
682 1 83 GLU H 1 85 VAL H 4.520 . 4.750 3.955 3.744 4.242 . 0 0 "[ . 1 . 2]" 1
683 1 83 GLU H 1 84 GLN H 3.200 . 3.360 2.639 2.523 2.802 . 0 0 "[ . 1 . 2]" 1
684 1 81 PRO HA 1 83 GLU H 4.630 . 4.860 4.074 3.853 4.367 . 0 0 "[ . 1 . 2]" 1
685 1 83 GLU H 1 84 GLN HA 5.500 . 5.780 5.259 5.179 5.390 . 0 0 "[ . 1 . 2]" 1
686 1 81 PRO HB3 1 83 GLU H 4.550 . 4.780 4.329 4.095 4.487 . 0 0 "[ . 1 . 2]" 1
687 1 83 GLU H 1 83 GLU HG2 3.540 . 3.720 2.172 1.794 3.270 0.006 16 0 "[ . 1 . 2]" 1
688 1 81 PRO HB2 1 83 GLU H 2.740 . 2.880 2.843 2.706 2.905 0.025 1 0 "[ . 1 . 2]" 1
689 1 82 LYS HD2 1 83 GLU H 4.550 . 4.780 3.229 1.799 4.782 0.002 5 0 "[ . 1 . 2]" 1
690 1 82 LYS HD3 1 83 GLU H 4.550 . 4.780 3.044 1.804 4.211 . 0 0 "[ . 1 . 2]" 1
691 1 60 LEU H 1 62 LEU H 4.430 . 4.650 4.102 3.599 4.428 . 0 0 "[ . 1 . 2]" 1
692 1 61 SER HA 1 62 LEU H 3.330 . 3.500 2.755 2.525 2.962 . 0 0 "[ . 1 . 2]" 1
693 1 62 LEU H 1 62 LEU HB2 3.330 . 3.500 2.471 2.390 2.530 . 0 0 "[ . 1 . 2]" 1
694 1 62 LEU H 1 62 LEU QD 4.110 . 4.320 2.070 1.869 2.328 . 0 0 "[ . 1 . 2]" 1
695 1 62 LEU H 1 62 LEU HG 4.540 . 4.770 4.170 4.074 4.294 . 0 0 "[ . 1 . 2]" 1
696 1 85 VAL H 1 85 VAL MG2 2.910 . 3.060 2.100 1.972 2.184 . 0 0 "[ . 1 . 2]" 1
697 1 84 GLN H 1 85 VAL H 3.210 . 3.370 2.514 2.452 2.619 . 0 0 "[ . 1 . 2]" 1
698 1 85 VAL H 1 86 ASP H 3.250 . 3.410 2.642 2.540 2.717 . 0 0 "[ . 1 . 2]" 1
699 1 82 LYS HA 1 85 VAL H 3.890 . 4.080 3.485 3.078 3.927 . 0 0 "[ . 1 . 2]" 1
700 1 86 ASP H 1 87 ALA H 3.340 . 3.510 2.676 2.568 2.809 . 0 0 "[ . 1 . 2]" 1
701 1 87 ALA H 1 88 PHE H 3.270 . 3.430 2.715 2.620 2.834 . 0 0 "[ . 1 . 2]" 1
702 1 84 GLN HA 1 87 ALA H 3.720 . 3.910 2.979 2.822 3.093 . 0 0 "[ . 1 . 2]" 1
703 1 85 VAL HA 1 87 ALA H 4.370 . 4.590 4.373 4.234 4.527 . 0 0 "[ . 1 . 2]" 1
704 1 86 ASP HB2 1 87 ALA H 3.910 . 4.110 3.875 3.652 3.984 . 0 0 "[ . 1 . 2]" 1
705 1 86 ASP HB3 1 87 ALA H 3.670 . 3.850 2.585 2.398 2.808 . 0 0 "[ . 1 . 2]" 1
706 1 85 VAL HB 1 87 ALA H 5.140 . 5.400 5.007 4.838 5.177 . 0 0 "[ . 1 . 2]" 1
707 1 88 PHE H 1 89 VAL H 3.480 . 3.650 2.647 2.537 2.735 . 0 0 "[ . 1 . 2]" 1
708 1 88 PHE H 1 88 PHE QD 4.170 . 4.380 4.100 4.073 4.116 . 0 0 "[ . 1 . 2]" 1
709 1 85 VAL HA 1 88 PHE H 3.820 . 4.010 3.258 3.033 3.361 . 0 0 "[ . 1 . 2]" 1
710 1 62 LEU QD 1 88 PHE H 3.790 . 3.980 3.450 3.291 3.648 . 0 0 "[ . 1 . 2]" 1
711 1 62 LEU HG 1 88 PHE H 4.110 . 4.320 4.225 4.162 4.328 0.008 20 0 "[ . 1 . 2]" 1
712 1 89 VAL H 1 90 LYS H 3.590 . 3.770 2.661 2.563 2.819 . 0 0 "[ . 1 . 2]" 1
713 1 87 ALA H 1 89 VAL H 4.970 . 5.220 4.230 3.885 4.419 . 0 0 "[ . 1 . 2]" 1
714 1 38 TYR HE2 1 89 VAL H 4.630 . 4.860 3.832 3.177 4.491 . 0 0 "[ . 1 . 2]" 1
715 1 86 ASP HA 1 89 VAL H 3.980 . 4.180 3.336 2.965 3.502 . 0 0 "[ . 1 . 2]" 1
716 1 88 PHE HB2 1 89 VAL H 4.270 . 4.480 3.709 3.612 3.797 . 0 0 "[ . 1 . 2]" 1
717 1 88 PHE HB3 1 89 VAL H 4.270 . 4.480 2.621 2.385 2.785 . 0 0 "[ . 1 . 2]" 1
718 1 89 VAL H 1 89 VAL HB 3.270 . 3.430 2.527 2.463 2.612 . 0 0 "[ . 1 . 2]" 1
719 1 89 VAL H 1 92 LEU HB2 4.690 . 4.920 4.647 4.476 4.796 . 0 0 "[ . 1 . 2]" 1
720 1 87 ALA MB 1 89 VAL H 4.850 . 5.090 4.566 4.340 4.727 . 0 0 "[ . 1 . 2]" 1
721 1 85 VAL MG1 1 89 VAL H 4.180 . 4.390 3.935 3.780 4.092 . 0 0 "[ . 1 . 2]" 1
722 1 89 VAL H 1 91 TYR H 4.640 . 4.870 4.106 3.907 4.263 . 0 0 "[ . 1 . 2]" 1
723 1 91 TYR H 1 91 TYR HB3 3.000 . 3.150 2.299 2.221 2.374 . 0 0 "[ . 1 . 2]" 1
724 1 87 ALA MB 1 91 TYR H 5.010 . 5.260 4.599 4.521 4.680 . 0 0 "[ . 1 . 2]" 1
725 1 91 TYR H 1 92 LEU MD2 5.240 . 5.500 5.437 4.728 5.504 0.004 8 0 "[ . 1 . 2]" 1
726 1 91 TYR H 1 92 LEU H 3.630 . 3.810 2.674 2.501 2.766 . 0 0 "[ . 1 . 2]" 1
727 1 92 LEU H 1 93 HIS H 3.740 . 3.930 2.619 2.548 2.698 . 0 0 "[ . 1 . 2]" 1
728 1 38 TYR HE2 1 92 LEU H 4.500 . 4.730 4.338 3.993 4.732 0.002 11 0 "[ . 1 . 2]" 1
729 1 89 VAL HA 1 92 LEU H 3.820 . 4.010 3.136 2.917 3.350 . 0 0 "[ . 1 . 2]" 1
730 1 91 TYR HB3 1 92 LEU H 3.260 . 3.420 2.702 2.604 2.833 . 0 0 "[ . 1 . 2]" 1
731 1 92 LEU H 1 92 LEU HB2 3.510 . 3.690 2.114 2.064 2.155 . 0 0 "[ . 1 . 2]" 1
732 1 92 LEU H 1 92 LEU MD1 4.470 . 4.690 4.266 4.130 4.317 . 0 0 "[ . 1 . 2]" 1
733 1 92 LEU H 1 92 LEU MD2 3.440 . 3.610 3.444 2.813 3.575 . 0 0 "[ . 1 . 2]" 1
734 1 93 HIS H 1 94 LYS H 3.380 . 3.550 2.605 2.481 2.694 . 0 0 "[ . 1 . 2]" 1
735 1 93 HIS H 1 95 GLY H 4.730 . 4.970 4.162 3.689 4.635 . 0 0 "[ . 1 . 2]" 1
736 1 93 HIS H 1 94 LYS HA 5.500 . 5.780 5.210 5.018 5.300 . 0 0 "[ . 1 . 2]" 1
737 1 92 LEU HB2 1 93 HIS H 4.130 . 4.340 3.460 3.148 3.554 . 0 0 "[ . 1 . 2]" 1
738 1 92 LEU MD1 1 93 HIS H 4.280 . 4.490 4.111 3.975 4.497 0.007 15 0 "[ . 1 . 2]" 1
739 1 92 LEU MD2 1 93 HIS H 5.040 . 5.290 4.722 4.512 4.773 . 0 0 "[ . 1 . 2]" 1
740 1 93 HIS H 1 93 HIS HB3 3.730 . 3.920 3.591 3.548 3.624 . 0 0 "[ . 1 . 2]" 1
741 1 93 HIS H 1 93 HIS HB2 3.730 . 3.920 2.383 2.260 2.568 . 0 0 "[ . 1 . 2]" 1
742 1 93 HIS HB3 1 94 LYS H 4.700 . 4.930 3.884 3.602 4.168 . 0 0 "[ . 1 . 2]" 1
743 1 94 LYS H 1 95 GLY H 3.280 . 3.440 2.429 2.250 2.682 . 0 0 "[ . 1 . 2]" 1
744 1 48 PHE HE1 1 95 GLY H 5.500 . 5.780 4.840 4.006 5.784 0.004 10 0 "[ . 1 . 2]" 1
745 1 95 GLY H 1 96 SER H 4.850 . 5.090 4.489 4.021 4.649 . 0 0 "[ . 1 . 2]" 1
746 1 92 LEU HA 1 95 GLY H 4.480 . 4.700 3.349 2.834 3.866 . 0 0 "[ . 1 . 2]" 1
747 1 95 GLY H 1 101 VAL MG1 5.430 . 5.700 4.076 3.436 5.594 . 0 0 "[ . 1 . 2]" 1
748 1 95 GLY H 1 101 VAL MG2 5.430 . 5.700 4.392 3.546 5.098 . 0 0 "[ . 1 . 2]" 1
749 1 48 PHE HE1 1 96 SER H 5.490 . 5.760 4.088 2.289 5.347 . 0 0 "[ . 1 . 2]" 1
750 1 98 LYS HG2 1 99 SER H 5.440 . 5.710 4.712 3.512 5.603 . 0 0 "[ . 1 . 2]" 1
751 1 98 LYS HG3 1 99 SER H 5.440 . 5.710 4.647 3.404 5.724 0.014 2 0 "[ . 1 . 2]" 1
752 1 43 LYS H 1 100 VAL H 4.820 . 5.060 4.209 3.130 5.062 0.002 2 0 "[ . 1 . 2]" 1
753 1 99 SER H 1 100 VAL H 4.990 . 5.240 4.230 3.481 4.498 . 0 0 "[ . 1 . 2]" 1
754 1 100 VAL H 1 100 VAL HB 4.040 . 4.240 2.594 2.505 2.782 . 0 0 "[ . 1 . 2]" 1
755 1 43 LYS HB3 1 100 VAL H 4.740 . 4.980 3.866 2.740 4.840 . 0 0 "[ . 1 . 2]" 1
756 1 101 VAL H 1 102 LYS H 4.590 . 4.820 4.528 4.367 4.613 . 0 0 "[ . 1 . 2]" 1
757 1 100 VAL H 1 101 VAL H 4.620 . 4.850 4.379 4.021 4.595 . 0 0 "[ . 1 . 2]" 1
758 1 100 VAL HA 1 101 VAL H 2.900 . 3.050 2.172 2.109 2.308 . 0 0 "[ . 1 . 2]" 1
759 1 101 VAL H 1 101 VAL HB 3.800 . 3.990 3.585 2.181 3.734 . 0 0 "[ . 1 . 2]" 1
760 1 100 VAL MG2 1 101 VAL H 4.190 . 4.400 4.098 3.929 4.260 . 0 0 "[ . 1 . 2]" 1
761 1 100 VAL HB 1 101 VAL H 4.540 . 4.770 4.183 3.679 4.430 . 0 0 "[ . 1 . 2]" 1
762 1 43 LYS H 1 102 LYS H 5.030 . 5.280 3.613 2.816 5.143 . 0 0 "[ . 1 . 2]" 1
763 1 102 LYS H 1 103 LYS H 3.940 . 4.140 2.446 2.165 2.625 . 0 0 "[ . 1 . 2]" 1
764 1 104 VAL H 1 105 SER H 4.530 . 4.760 4.497 4.275 4.559 . 0 0 "[ . 1 . 2]" 1
765 1 103 LYS H 1 104 VAL H 4.490 . 4.710 4.185 3.963 4.262 . 0 0 "[ . 1 . 2]" 1
766 1 104 VAL H 1 104 VAL HB 3.060 . 3.210 2.917 2.508 3.073 . 0 0 "[ . 1 . 2]" 1
767 1 92 LEU MD1 1 104 VAL H 5.500 . 5.780 5.438 5.011 5.786 0.006 15 0 "[ . 1 . 2]" 1
768 1 104 VAL H 1 104 VAL MG1 3.890 . 4.080 2.183 1.930 3.824 . 0 0 "[ . 1 . 2]" 1
769 1 104 VAL H 1 104 VAL MG2 3.890 . 4.080 3.697 2.266 3.890 . 0 0 "[ . 1 . 2]" 1
770 1 39 ARG H 1 105 SER H 3.720 . 3.910 3.115 2.919 3.255 . 0 0 "[ . 1 . 2]" 1
771 1 39 ARG HB3 1 105 SER H 4.490 . 4.710 4.044 3.685 4.203 . 0 0 "[ . 1 . 2]" 1
772 1 104 VAL HB 1 105 SER H 4.280 . 4.490 4.075 3.766 4.334 . 0 0 "[ . 1 . 2]" 1
773 1 105 SER H 1 106 ILE HG12 5.050 . 5.300 4.384 4.173 4.774 . 0 0 "[ . 1 . 2]" 1
774 1 92 LEU MD1 1 105 SER H 4.980 . 5.230 4.538 4.196 4.915 . 0 0 "[ . 1 . 2]" 1
775 1 104 VAL MG1 1 105 SER H 4.360 . 4.580 3.711 2.179 4.197 . 0 0 "[ . 1 . 2]" 1
776 1 104 VAL MG2 1 105 SER H 4.360 . 4.580 2.578 2.200 4.028 . 0 0 "[ . 1 . 2]" 1
777 1 40 VAL HB 1 105 SER H 4.950 . 5.200 4.009 3.674 4.258 . 0 0 "[ . 1 . 2]" 1
778 1 105 SER H 1 106 ILE H 4.570 . 4.800 4.264 4.148 4.382 . 0 0 "[ . 1 . 2]" 1
779 1 105 SER HA 1 106 ILE H 2.710 . 2.850 2.178 2.110 2.257 . 0 0 "[ . 1 . 2]" 1
780 1 105 SER HB3 1 106 ILE H 3.750 . 3.940 3.253 2.944 3.450 . 0 0 "[ . 1 . 2]" 1
781 1 105 SER HB2 1 106 ILE H 4.320 . 4.540 4.142 3.926 4.273 . 0 0 "[ . 1 . 2]" 1
782 1 106 ILE H 1 106 ILE HB 3.580 . 3.760 2.808 2.696 2.923 . 0 0 "[ . 1 . 2]" 1
783 1 106 ILE H 1 106 ILE HG13 3.940 . 4.140 3.965 3.816 4.105 . 0 0 "[ . 1 . 2]" 1
784 1 106 ILE H 1 106 ILE HG12 3.390 . 3.560 2.502 2.281 2.694 . 0 0 "[ . 1 . 2]" 1
785 1 106 ILE H 1 106 ILE MG 4.030 . 4.230 3.908 3.862 3.938 . 0 0 "[ . 1 . 2]" 1
786 1 37 CYS H 1 107 HIS H 3.640 . 3.820 2.854 2.756 2.974 . 0 0 "[ . 1 . 2]" 1
787 1 38 TYR HA 1 107 HIS H 4.210 . 4.420 3.914 3.805 4.092 . 0 0 "[ . 1 . 2]" 1
788 1 106 ILE HA 1 107 HIS H 2.970 . 3.120 2.354 2.278 2.440 . 0 0 "[ . 1 . 2]" 1
789 1 36 LEU HA 1 107 HIS H 4.190 . 4.400 4.292 4.094 4.406 0.006 1 0 "[ . 1 . 2]" 1
790 1 106 ILE HB 1 107 HIS H 3.570 . 3.750 3.602 3.375 3.759 0.009 12 0 "[ . 1 . 2]" 1
791 1 106 ILE MG 1 107 HIS H 3.610 . 3.790 2.031 1.852 2.233 . 0 0 "[ . 1 . 2]" 1
792 1 107 HIS H 1 108 ALA H 4.910 . 5.160 4.402 4.355 4.451 . 0 0 "[ . 1 . 2]" 1
793 1 108 ALA H 1 109 SER H 5.000 . 5.250 2.988 2.790 3.195 . 0 0 "[ . 1 . 2]" 1
794 1 107 HIS HB2 1 108 ALA H 4.160 . 4.370 3.952 3.644 4.146 . 0 0 "[ . 1 . 2]" 1
795 1 107 HIS HB3 1 108 ALA H 4.160 . 4.370 3.379 2.485 3.840 . 0 0 "[ . 1 . 2]" 1
796 1 108 ALA H 1 108 ALA MB 3.050 . 3.200 2.232 2.217 2.274 . 0 0 "[ . 1 . 2]" 1
797 1 37 CYS H 1 109 SER H 3.890 . 4.080 3.008 2.744 3.222 . 0 0 "[ . 1 . 2]" 1
798 1 36 LEU HA 1 109 SER H 3.570 . 3.750 3.504 2.729 3.753 0.003 7 0 "[ . 1 . 2]" 1
799 1 108 ALA HA 1 109 SER H 3.110 . 3.270 3.190 3.137 3.216 . 0 0 "[ . 1 . 2]" 1
800 1 109 SER H 1 109 SER HB2 3.800 . 3.990 2.555 2.461 3.545 . 0 0 "[ . 1 . 2]" 1
801 1 108 ALA MB 1 109 SER H 3.700 . 3.890 3.520 3.481 3.622 . 0 0 "[ . 1 . 2]" 1
802 1 111 ARG H 1 112 VAL H 4.710 . 4.950 4.553 4.473 4.631 . 0 0 "[ . 1 . 2]" 1
803 1 110 SER H 1 111 ARG H 4.650 . 4.880 4.509 4.472 4.536 . 0 0 "[ . 1 . 2]" 1
804 1 110 SER HA 1 111 ARG H 2.810 . 2.950 2.582 2.521 2.633 . 0 0 "[ . 1 . 2]" 1
805 1 110 SER HB2 1 111 ARG H 3.780 . 3.970 2.778 1.998 3.604 . 0 0 "[ . 1 . 2]" 1
806 1 111 ARG H 1 111 ARG HB2 3.060 . 3.210 2.415 2.253 2.649 . 0 0 "[ . 1 . 2]" 1
807 1 111 ARG H 1 111 ARG HB3 3.060 . 3.210 2.614 2.416 2.815 . 0 0 "[ . 1 . 2]" 1
808 1 79 GLN HE21 1 112 VAL H 3.970 . 4.170 2.774 2.283 3.381 . 0 0 "[ . 1 . 2]" 1
809 1 79 GLN HE22 1 112 VAL H 4.390 . 4.610 2.507 1.880 3.369 . 0 0 "[ . 1 . 2]" 1
810 1 111 ARG HA 1 112 VAL H 3.130 . 3.290 2.146 2.091 2.246 . 0 0 "[ . 1 . 2]" 1
811 1 111 ARG HD2 1 112 VAL H 5.500 . 5.780 4.817 2.005 5.709 . 0 0 "[ . 1 . 2]" 1
812 1 111 ARG HD3 1 112 VAL H 5.500 . 5.780 5.066 3.313 5.666 . 0 0 "[ . 1 . 2]" 1
813 1 111 ARG HB2 1 112 VAL H 4.300 . 4.520 4.144 3.947 4.382 . 0 0 "[ . 1 . 2]" 1
814 1 111 ARG HG2 1 112 VAL H 3.800 . 3.990 2.905 2.317 3.448 . 0 0 "[ . 1 . 2]" 1
815 1 113 ASP H 1 114 ALA H 4.450 . 4.670 4.487 4.359 4.563 . 0 0 "[ . 1 . 2]" 1
816 1 112 VAL H 1 113 ASP H 4.540 . 4.770 4.432 4.392 4.481 . 0 0 "[ . 1 . 2]" 1
817 1 113 ASP H 1 113 ASP HB3 3.710 . 3.900 3.050 2.414 3.697 . 0 0 "[ . 1 . 2]" 1
818 1 112 VAL HB 1 113 ASP H 2.840 . 2.980 2.191 2.143 2.241 . 0 0 "[ . 1 . 2]" 1
819 1 112 VAL MG2 1 113 ASP H 3.420 . 3.590 3.169 3.080 3.242 . 0 0 "[ . 1 . 2]" 1
820 1 113 ASP HB2 1 114 ALA H 4.650 . 4.880 4.093 3.007 4.397 . 0 0 "[ . 1 . 2]" 1
821 1 113 ASP HB3 1 114 ALA H 4.650 . 4.880 3.801 3.008 4.318 . 0 0 "[ . 1 . 2]" 1
822 1 114 ALA H 1 114 ALA MB 2.780 . 2.920 2.250 2.221 2.304 . 0 0 "[ . 1 . 2]" 1
823 1 112 VAL MG2 1 114 ALA H 4.190 . 4.400 4.249 3.909 4.403 0.003 18 0 "[ . 1 . 2]" 1
824 1 114 ALA H 1 115 ASP H 4.790 . 5.030 4.598 4.388 4.660 . 0 0 "[ . 1 . 2]" 1
825 1 114 ALA HA 1 115 ASP H 2.820 . 2.960 2.304 2.154 2.672 . 0 0 "[ . 1 . 2]" 1
826 1 115 ASP H 1 116 GLY H 2.750 . 2.890 2.075 1.927 2.497 . 0 0 "[ . 1 . 2]" 1
827 1 116 GLY H 1 117 PHE HA 4.940 . 5.190 4.647 4.299 4.773 . 0 0 "[ . 1 . 2]" 1
828 1 114 ALA HA 1 116 GLY H 4.050 . 4.250 4.159 3.742 4.259 0.009 14 0 "[ . 1 . 2]" 1
829 1 115 ASP HB2 1 116 GLY H 4.830 . 5.070 3.696 2.336 4.355 . 0 0 "[ . 1 . 2]" 1
830 1 115 ASP HB3 1 116 GLY H 4.830 . 5.070 2.822 2.405 4.403 . 0 0 "[ . 1 . 2]" 1
831 1 114 ALA MB 1 116 GLY H 3.740 . 3.930 3.860 3.695 3.942 0.012 19 0 "[ . 1 . 2]" 1
832 1 116 GLY H 1 117 PHE H 4.060 . 4.260 4.006 2.506 4.261 0.001 16 0 "[ . 1 . 2]" 1
833 1 116 GLY HA2 1 117 PHE H 3.200 . 3.360 2.241 2.168 2.792 . 0 0 "[ . 1 . 2]" 1
834 1 116 GLY HA3 1 117 PHE H 3.200 . 3.360 3.021 2.845 3.415 0.055 19 0 "[ . 1 . 2]" 1
835 1 118 GLU H 1 119 ILE H 4.610 . 4.840 4.166 3.992 4.404 . 0 0 "[ . 1 . 2]" 1
836 1 118 GLU HB2 1 119 ILE H 3.610 . 3.790 3.077 2.301 3.442 . 0 0 "[ . 1 . 2]" 1
837 1 119 ILE H 1 119 ILE HB 2.950 . 3.100 2.529 2.361 2.700 . 0 0 "[ . 1 . 2]" 1
838 1 119 ILE H 1 119 ILE MD 3.380 . 3.550 2.602 1.828 3.398 . 0 0 "[ . 1 . 2]" 1
839 1 119 ILE H 1 119 ILE HG13 4.760 . 5.000 3.704 3.517 4.073 . 0 0 "[ . 1 . 2]" 1
840 1 119 ILE HA 1 120 ARG H 3.150 . 3.310 2.220 2.185 2.256 . 0 0 "[ . 1 . 2]" 1
841 1 67 THR HB 1 120 ARG H 4.750 . 4.990 3.654 3.288 4.230 . 0 0 "[ . 1 . 2]" 1
842 1 120 ARG H 1 120 ARG QB 3.560 . 3.740 2.201 2.137 2.255 . 0 0 "[ . 1 . 2]" 1
843 1 119 ILE MG 1 120 ARG H 3.530 . 3.710 3.566 3.513 3.611 . 0 0 "[ . 1 . 2]" 1
844 1 120 ARG HA 1 121 ARG H 2.620 . 2.750 2.179 2.053 2.237 . 0 0 "[ . 1 . 2]" 1
845 1 120 ARG QD 1 121 ARG H 5.500 . 5.780 4.903 4.735 5.258 . 0 0 "[ . 1 . 2]" 1
846 1 121 ARG H 1 121 ARG HB2 3.150 . 3.310 2.746 2.514 2.989 . 0 0 "[ . 1 . 2]" 1
847 1 120 ARG HG2 1 121 ARG H 3.570 . 3.750 3.714 3.175 3.779 0.029 15 0 "[ . 1 . 2]" 1
848 1 119 ILE MG 1 121 ARG H 4.910 . 5.160 4.707 4.077 5.023 . 0 0 "[ . 1 . 2]" 1
849 1 117 PHE H 1 118 GLU H 4.580 . 4.810 4.347 4.316 4.408 . 0 0 "[ . 1 . 2]" 1
850 1 118 GLU H 1 120 ARG H 5.140 . 5.400 4.575 4.465 4.739 . 0 0 "[ . 1 . 2]" 1
851 1 66 VAL H 1 118 GLU H 4.210 . 4.420 2.694 2.497 2.777 . 0 0 "[ . 1 . 2]" 1
852 1 65 TYR QE 1 118 GLU H 5.500 . 5.780 5.623 5.274 5.713 . 0 0 "[ . 1 . 2]" 1
853 1 117 PHE HA 1 118 GLU H 2.970 . 3.120 2.212 2.185 2.236 . 0 0 "[ . 1 . 2]" 1
854 1 65 TYR HB2 1 118 GLU H 5.220 . 5.480 5.358 4.981 5.488 0.008 12 0 "[ . 1 . 2]" 1
855 1 118 GLU H 1 118 GLU HG2 3.730 . 3.920 2.799 2.642 3.023 . 0 0 "[ . 1 . 2]" 1
856 1 118 GLU H 1 118 GLU HB3 3.710 . 3.900 3.486 3.370 3.548 . 0 0 "[ . 1 . 2]" 1
857 1 53 THR MG 1 118 GLU H 5.250 . 5.510 4.988 4.173 5.517 0.007 20 0 "[ . 1 . 2]" 1
858 1 43 LYS H 1 100 VAL MG1 5.500 . 5.780 4.178 3.719 4.733 . 0 0 "[ . 1 . 2]" 1
859 1 42 GLY H 1 43 LYS H 4.960 . 5.210 4.488 4.284 4.633 . 0 0 "[ . 1 . 2]" 1
860 1 57 ALA H 1 88 PHE QD 5.060 . 5.310 4.413 4.192 4.860 . 0 0 "[ . 1 . 2]" 1
861 1 56 GLU QG 1 57 ALA H 4.560 . 4.790 3.439 3.348 3.534 . 0 0 "[ . 1 . 2]" 1
862 1 53 THR MG 1 57 ALA H 4.490 . 4.710 4.110 3.881 4.350 . 0 0 "[ . 1 . 2]" 1
863 1 56 GLU HB2 1 57 ALA H 4.050 . 4.250 3.641 3.541 3.743 . 0 0 "[ . 1 . 2]" 1
864 1 56 GLU HB3 1 57 ALA H 4.050 . 4.250 2.254 2.148 2.361 . 0 0 "[ . 1 . 2]" 1
865 1 45 GLN H 1 45 GLN HB2 4.130 . 4.340 3.017 2.412 3.941 . 0 0 "[ . 1 . 2]" 1
866 1 45 GLN H 1 45 GLN HB3 4.130 . 4.340 3.565 2.618 4.102 . 0 0 "[ . 1 . 2]" 1
867 1 54 LYS H 1 55 LYS H 4.300 . 4.520 2.656 2.475 2.869 . 0 0 "[ . 1 . 2]" 1
868 1 53 THR HB 1 54 LYS H 4.670 . 4.900 2.466 2.289 2.674 . 0 0 "[ . 1 . 2]" 1
869 1 52 TYR HA 1 54 LYS H 4.940 . 5.190 4.410 4.151 4.674 . 0 0 "[ . 1 . 2]" 1
870 1 53 THR MG 1 54 LYS H 4.880 . 5.120 3.496 3.354 3.679 . 0 0 "[ . 1 . 2]" 1
871 1 54 LYS H 1 55 LYS HA 5.500 . 5.780 5.258 5.109 5.429 . 0 0 "[ . 1 . 2]" 1
872 1 53 THR H 1 54 LYS H 4.270 . 4.480 2.738 2.629 2.868 . 0 0 "[ . 1 . 2]" 1
873 1 26 MET H 1 26 MET HG2 5.360 . 5.630 3.494 2.026 4.462 . 0 0 "[ . 1 . 2]" 1
874 1 26 MET H 1 26 MET HG3 5.360 . 5.630 3.339 2.461 4.845 . 0 0 "[ . 1 . 2]" 1
875 1 25 SER HA 1 26 MET H 2.700 . 2.840 2.338 2.124 2.771 . 0 0 "[ . 1 . 2]" 1
876 1 27 PRO HA 1 28 SER H 2.530 . 2.660 2.353 2.150 2.624 . 0 0 "[ . 1 . 2]" 1
877 1 27 PRO HB2 1 28 SER H 3.960 . 4.160 3.089 2.075 4.164 0.004 5 0 "[ . 1 . 2]" 1
878 1 27 PRO HB3 1 28 SER H 3.960 . 4.160 3.586 2.764 4.157 . 0 0 "[ . 1 . 2]" 1
879 1 28 SER HA 1 29 SER H 2.880 . 3.020 2.348 2.125 2.716 . 0 0 "[ . 1 . 2]" 1
880 1 79 GLN HB3 1 79 GLN HE21 4.580 . 4.810 2.019 1.845 2.707 . 0 0 "[ . 1 . 2]" 1
881 1 68 ASN HA 1 68 ASN HD22 5.000 . 5.250 3.822 3.459 4.651 . 0 0 "[ . 1 . 2]" 1
882 1 84 GLN HA 1 84 GLN HE22 4.090 . 4.290 3.848 3.618 4.305 0.015 14 0 "[ . 1 . 2]" 1
883 1 84 GLN HA 1 84 GLN HE21 4.090 . 4.290 2.768 2.267 4.292 0.002 13 0 "[ . 1 . 2]" 1
884 1 10 GLY QA 1 11 THR H 3.030 . 3.180 2.253 2.106 2.715 . 0 0 "[ . 1 . 2]" 1
885 1 12 LEU H 1 12 LEU QB 2.920 . 3.070 2.630 2.240 3.083 0.013 15 0 "[ . 1 . 2]" 1
886 1 12 LEU H 1 12 LEU QD 4.450 . 4.670 3.206 1.792 4.122 0.008 6 0 "[ . 1 . 2]" 1
887 1 14 ALA HA 1 15 GLN QB 4.700 . 4.930 4.437 4.178 4.726 . 0 0 "[ . 1 . 2]" 1
888 1 14 ALA HA 1 15 GLN QG 4.740 . 4.980 3.784 3.316 4.227 . 0 0 "[ . 1 . 2]" 1
889 1 15 GLN H 1 15 GLN QB 3.070 . 3.220 2.732 2.410 3.226 0.006 17 0 "[ . 1 . 2]" 1
890 1 15 GLN H 1 15 GLN QG 4.260 . 4.470 2.379 1.913 3.043 . 0 0 "[ . 1 . 2]" 1
891 1 15 GLN HA 1 15 GLN QG 3.710 . 3.900 3.051 2.411 3.493 . 0 0 "[ . 1 . 2]" 1
892 1 15 GLN QB 1 16 THR H 3.570 . 3.750 2.655 2.011 3.803 0.053 15 0 "[ . 1 . 2]" 1
893 1 17 GLN H 1 17 GLN QB 3.450 . 3.620 2.728 2.276 3.270 . 0 0 "[ . 1 . 2]" 1
894 1 17 GLN QB 1 18 GLY H 3.830 . 4.020 2.837 1.802 3.988 . 0 0 "[ . 1 . 2]" 1
895 1 18 GLY QA 1 19 PRO HG2 4.600 . 4.830 4.256 4.092 4.405 . 0 0 "[ . 1 . 2]" 1
896 1 18 GLY QA 1 19 PRO QD 2.470 . 2.590 2.004 1.810 2.101 . 0 0 "[ . 1 . 2]" 1
897 1 19 PRO QD 1 20 GLY H 4.130 . 4.340 3.556 2.489 4.354 0.014 20 0 "[ . 1 . 2]" 1
898 1 20 GLY QA 1 21 SER H 2.970 . 3.120 2.322 2.123 2.808 . 0 0 "[ . 1 . 2]" 1
899 1 23 GLN HA 1 23 GLN QG 3.690 . 3.870 2.858 2.421 3.494 . 0 0 "[ . 1 . 2]" 1
900 1 23 GLN QB 1 24 GLY H 4.130 . 4.340 3.124 2.065 3.956 . 0 0 "[ . 1 . 2]" 1
901 1 23 GLN QG 1 24 GLY H 4.730 . 4.970 3.480 1.934 4.518 . 0 0 "[ . 1 . 2]" 1
902 1 25 SER H 1 25 SER QB 3.160 . 3.320 2.880 2.503 3.314 . 0 0 "[ . 1 . 2]" 1
903 1 25 SER HA 1 26 MET QB 4.650 . 4.880 4.311 3.891 4.549 . 0 0 "[ . 1 . 2]" 1
904 1 25 SER QB 1 26 MET H 3.340 . 3.510 2.959 2.338 3.525 0.015 12 0 "[ . 1 . 2]" 1
905 1 25 SER QB 1 26 MET QB 5.180 . 5.440 4.930 4.363 5.349 . 0 0 "[ . 1 . 2]" 1
906 1 26 MET H 1 26 MET QB 2.940 . 3.090 2.713 2.424 3.082 . 0 0 "[ . 1 . 2]" 1
907 1 26 MET H 1 26 MET QG 4.590 . 4.820 2.872 1.993 4.116 . 0 0 "[ . 1 . 2]" 1
908 1 26 MET QB 1 27 PRO QD 3.070 . 3.220 2.734 1.822 3.247 0.027 16 0 "[ . 1 . 2]" 1
909 1 27 PRO QB 1 28 SER H 3.430 . 3.600 2.857 2.055 3.616 0.016 1 0 "[ . 1 . 2]" 1
910 1 27 PRO QG 1 28 SER H 4.750 . 4.990 4.375 3.646 4.992 0.002 11 0 "[ . 1 . 2]" 1
911 1 32 ASP QB 1 33 VAL QG 4.230 . 4.440 3.093 2.380 4.314 . 0 0 "[ . 1 . 2]" 1
912 1 33 VAL H 1 33 VAL QG 2.760 . 2.900 2.409 1.935 2.904 0.004 14 0 "[ . 1 . 2]" 1
913 1 33 VAL HA 1 33 VAL QG 2.840 . 2.980 2.189 2.139 2.340 . 0 0 "[ . 1 . 2]" 1
914 1 33 VAL QG 1 34 THR H 3.010 . 3.160 2.828 2.147 3.177 0.017 20 0 "[ . 1 . 2]" 1
915 1 33 VAL QG 1 79 GLN HA 4.340 . 4.560 3.704 3.179 4.470 . 0 0 "[ . 1 . 2]" 1
916 1 33 VAL QG 1 79 GLN QB 3.290 . 3.450 2.842 2.455 3.440 . 0 0 "[ . 1 . 2]" 1
917 1 33 VAL QG 1 79 GLN HE21 4.120 . 4.330 3.585 3.158 4.241 . 0 0 "[ . 1 . 2]" 1
918 1 33 VAL QG 1 80 GLY H 3.200 . 3.360 2.668 2.263 3.239 . 0 0 "[ . 1 . 2]" 1
919 1 33 VAL QG 1 81 PRO HB3 5.440 . 5.710 5.321 4.894 5.710 0.000 1 0 "[ . 1 . 2]" 1
920 1 33 VAL QG 1 81 PRO HD2 4.970 . 5.220 4.838 4.468 5.225 0.005 15 0 "[ . 1 . 2]" 1
921 1 33 VAL QG 1 81 PRO HD3 4.210 . 4.420 4.215 3.883 4.426 0.006 10 0 "[ . 1 . 2]" 1
922 1 33 VAL QG 1 111 ARG QB 4.240 . 4.450 3.384 2.167 3.917 . 0 0 "[ . 1 . 2]" 1
923 1 33 VAL QG 1 111 ARG QG 4.530 . 4.760 3.159 2.388 3.951 . 0 0 "[ . 1 . 2]" 1
924 1 33 VAL QG 1 111 ARG QD 4.260 . 4.470 3.044 1.934 4.198 . 0 0 "[ . 1 . 2]" 1
925 1 34 THR H 1 79 GLN QB 5.340 . 5.610 5.270 4.786 5.611 0.001 12 0 "[ . 1 . 2]" 1
926 1 34 THR HB 1 82 LYS QB 4.890 . 5.130 3.452 2.797 4.214 . 0 0 "[ . 1 . 2]" 1
927 1 34 THR MG 1 36 LEU QD 2.930 . 3.080 2.495 1.883 3.084 0.004 15 0 "[ . 1 . 2]" 1
928 1 35 THR H 1 36 LEU QD 4.080 . 4.280 3.728 2.958 4.160 . 0 0 "[ . 1 . 2]" 1
929 1 35 THR HA 1 36 LEU QD 5.080 . 5.330 4.092 3.160 4.492 . 0 0 "[ . 1 . 2]" 1
930 1 35 THR HA 1 77 VAL QG 5.440 . 5.710 3.967 3.656 4.307 . 0 0 "[ . 1 . 2]" 1
931 1 35 THR HB 1 36 LEU QD 4.830 . 5.070 4.694 4.121 4.814 . 0 0 "[ . 1 . 2]" 1
932 1 35 THR HB 1 77 VAL QG 5.310 . 5.580 4.430 4.246 4.564 . 0 0 "[ . 1 . 2]" 1
933 1 35 THR HB 1 111 ARG QB 4.550 . 4.780 3.882 3.521 4.323 . 0 0 "[ . 1 . 2]" 1
934 1 35 THR MG 1 77 VAL QG 2.710 . 2.850 2.102 1.987 2.247 . 0 0 "[ . 1 . 2]" 1
935 1 35 THR MG 1 109 SER QB 3.360 . 3.530 3.511 3.380 3.541 0.011 2 0 "[ . 1 . 2]" 1
936 1 36 LEU QB 1 37 CYS H 3.800 . 3.990 2.972 2.672 3.118 . 0 0 "[ . 1 . 2]" 1
937 1 36 LEU QB 1 106 ILE HA 5.340 . 5.610 4.411 4.200 4.659 . 0 0 "[ . 1 . 2]" 1
938 1 36 LEU QB 1 107 HIS H 4.100 . 4.300 3.285 2.847 3.551 . 0 0 "[ . 1 . 2]" 1
939 1 36 LEU QD 1 37 CYS H 4.220 . 4.430 3.545 3.338 4.017 . 0 0 "[ . 1 . 2]" 1
940 1 36 LEU QD 1 108 ALA H 4.990 . 5.240 4.116 4.010 4.248 . 0 0 "[ . 1 . 2]" 1
941 1 36 LEU QD 1 108 ALA MB 3.310 . 3.480 3.465 3.316 3.490 0.010 1 0 "[ . 1 . 2]" 1
942 1 36 LEU QD 1 109 SER H 4.320 . 4.540 3.923 3.661 4.526 . 0 0 "[ . 1 . 2]" 1
943 1 37 CYS H 1 37 CYS QB 3.180 . 3.340 2.417 2.261 2.580 . 0 0 "[ . 1 . 2]" 1
944 1 37 CYS H 1 107 HIS QB 5.110 . 5.370 3.006 2.714 3.185 . 0 0 "[ . 1 . 2]" 1
945 1 37 CYS H 1 109 SER QB 4.310 . 4.530 3.285 3.024 3.746 . 0 0 "[ . 1 . 2]" 1
946 1 37 CYS HA 1 77 VAL QG 3.700 . 3.890 2.338 2.163 2.509 . 0 0 "[ . 1 . 2]" 1
947 1 37 CYS QB 1 77 VAL HB 5.340 . 5.610 5.299 4.930 5.579 . 0 0 "[ . 1 . 2]" 1
948 1 37 CYS QB 1 77 VAL QG 3.610 . 3.790 2.531 2.220 2.793 . 0 0 "[ . 1 . 2]" 1
949 1 37 CYS QB 1 106 ILE MG 4.210 . 4.420 4.354 4.250 4.425 0.005 17 0 "[ . 1 . 2]" 1
950 1 37 CYS QB 1 107 HIS H 3.960 . 4.160 3.211 2.927 3.386 . 0 0 "[ . 1 . 2]" 1
951 1 37 CYS QB 1 107 HIS QB 3.930 . 4.130 1.790 1.780 1.799 0.020 7 0 "[ . 1 . 2]" 1
952 1 37 CYS QB 1 109 SER QB 4.250 . 4.460 2.931 2.137 3.761 . 0 0 "[ . 1 . 2]" 1
953 1 38 TYR H 1 77 VAL QG 4.070 . 4.270 3.471 3.254 3.694 . 0 0 "[ . 1 . 2]" 1
954 1 38 TYR HB2 1 77 VAL QG 5.360 . 5.630 4.921 4.696 5.170 . 0 0 "[ . 1 . 2]" 1
955 1 38 TYR HE2 1 88 PHE QB 4.680 . 4.910 3.740 2.796 4.724 . 0 0 "[ . 1 . 2]" 1
956 1 38 TYR HE2 1 89 VAL QG 3.630 . 3.810 2.714 1.987 3.480 . 0 0 "[ . 1 . 2]" 1
957 1 38 TYR HE1 1 78 VAL QG 3.090 . 3.240 2.444 1.794 3.191 0.006 17 0 "[ . 1 . 2]" 1
958 1 39 ARG H 1 104 VAL QG 4.140 . 4.350 3.682 3.406 4.194 . 0 0 "[ . 1 . 2]" 1
959 1 40 VAL H 1 74 VAL QG 4.210 . 4.420 3.926 3.790 4.019 . 0 0 "[ . 1 . 2]" 1
960 1 40 VAL H 1 104 VAL QG 4.830 . 5.070 4.545 4.069 5.047 . 0 0 "[ . 1 . 2]" 1
961 1 40 VAL HB 1 104 VAL QG 4.100 . 4.300 2.616 2.102 2.925 . 0 0 "[ . 1 . 2]" 1
962 1 40 VAL MG1 1 48 PHE QB 5.180 . 5.440 4.388 3.550 5.034 . 0 0 "[ . 1 . 2]" 1
963 1 40 VAL MG2 1 101 VAL QG 2.970 . 3.120 2.230 1.915 2.601 . 0 0 "[ . 1 . 2]" 1
964 1 40 VAL MG2 1 104 VAL QG 2.900 . 3.050 2.779 1.790 3.042 0.010 15 0 "[ . 1 . 2]" 1
965 1 41 THR H 1 103 LYS QB 5.000 . 5.250 3.963 3.293 4.311 . 0 0 "[ . 1 . 2]" 1
966 1 41 THR H 1 104 VAL QG 5.180 . 5.440 4.629 3.752 4.960 . 0 0 "[ . 1 . 2]" 1
967 1 41 THR HB 1 103 LYS QB 5.340 . 5.610 4.433 3.344 4.951 . 0 0 "[ . 1 . 2]" 1
968 1 42 GLY QA 1 102 LYS H 4.650 . 4.880 2.804 2.006 3.716 . 0 0 "[ . 1 . 2]" 1
969 1 43 LYS H 1 100 VAL QG 4.390 . 4.610 4.001 3.641 4.422 . 0 0 "[ . 1 . 2]" 1
970 1 43 LYS QB 1 100 VAL H 4.130 . 4.340 3.568 2.717 4.005 . 0 0 "[ . 1 . 2]" 1
971 1 43 LYS QB 1 100 VAL QG 3.360 . 3.530 2.816 2.212 3.358 . 0 0 "[ . 1 . 2]" 1
972 1 43 LYS QB 1 101 VAL H 4.830 . 5.070 4.811 4.172 5.089 0.019 15 0 "[ . 1 . 2]" 1
973 1 45 GLN H 1 45 GLN QB 3.460 . 3.630 2.795 2.259 3.400 . 0 0 "[ . 1 . 2]" 1
974 1 45 GLN H 1 45 GLN QG 4.530 . 4.760 3.055 2.212 4.469 . 0 0 "[ . 1 . 2]" 1
975 1 48 PHE QB 1 66 VAL QG 5.280 . 5.540 4.056 3.557 4.845 . 0 0 "[ . 1 . 2]" 1
976 1 48 PHE QB 1 74 VAL QG 4.090 . 4.290 2.003 1.791 2.601 0.009 5 0 "[ . 1 . 2]" 1
977 1 48 PHE QB 1 119 ILE MG 3.500 . 3.670 3.274 2.643 3.675 0.005 17 0 "[ . 1 . 2]" 1
978 1 48 PHE HD1 1 74 VAL QG 3.530 . 3.710 3.101 2.551 3.834 0.124 4 0 "[ . 1 . 2]" 1
979 1 48 PHE HE1 1 95 GLY QA 4.000 . 4.200 3.094 2.145 4.094 . 0 0 "[ . 1 . 2]" 1
980 1 48 PHE HE1 1 101 VAL QG 3.880 . 4.070 3.271 2.194 3.995 . 0 0 "[ . 1 . 2]" 1
981 1 48 PHE HD2 1 74 VAL QG 3.690 . 3.870 3.052 2.516 3.545 . 0 0 "[ . 1 . 2]" 1
982 1 49 PHE QB 1 52 TYR QE 3.940 . 4.140 3.572 3.126 4.074 . 0 0 "[ . 1 . 2]" 1
983 1 50 ARG QD 1 118 GLU HB2 4.440 . 4.660 3.402 2.364 4.351 . 0 0 "[ . 1 . 2]" 1
984 1 50 ARG QD 1 118 GLU HB3 5.340 . 5.610 3.988 2.751 5.071 . 0 0 "[ . 1 . 2]" 1
985 1 52 TYR HA 1 55 LYS QB 3.670 . 3.850 2.289 1.875 2.640 . 0 0 "[ . 1 . 2]" 1
986 1 52 TYR HA 1 55 LYS QD 4.500 . 4.730 3.166 2.445 3.777 . 0 0 "[ . 1 . 2]" 1
987 1 52 TYR HA 1 56 GLU QB 4.760 . 5.000 4.541 4.208 4.839 . 0 0 "[ . 1 . 2]" 1
988 1 52 TYR QB 1 53 THR H 4.070 . 4.270 2.740 2.509 2.925 . 0 0 "[ . 1 . 2]" 1
989 1 52 TYR QD 1 97 PRO QG 4.700 . 4.930 4.235 3.324 4.892 . 0 0 "[ . 1 . 2]" 1
990 1 52 TYR QE 1 97 PRO QG 4.000 . 4.200 3.713 2.743 4.187 . 0 0 "[ . 1 . 2]" 1
991 1 52 TYR QD 1 55 LYS QD 5.040 . 5.290 3.068 2.170 4.709 . 0 0 "[ . 1 . 2]" 1
992 1 53 THR H 1 55 LYS QB 5.160 . 5.420 4.737 4.448 5.023 . 0 0 "[ . 1 . 2]" 1
993 1 54 LYS H 1 55 LYS QB 4.650 . 4.880 4.375 4.121 4.761 . 0 0 "[ . 1 . 2]" 1
994 1 55 LYS H 1 55 LYS QB 3.570 . 3.750 2.254 2.150 2.467 . 0 0 "[ . 1 . 2]" 1
995 1 55 LYS H 1 55 LYS QG 4.700 . 4.930 3.815 2.184 4.060 . 0 0 "[ . 1 . 2]" 1
996 1 55 LYS HA 1 58 ASP QB 4.560 . 4.790 2.918 2.498 3.194 . 0 0 "[ . 1 . 2]" 1
997 1 55 LYS QB 1 55 LYS QD 3.280 . 3.440 2.179 2.109 2.365 . 0 0 "[ . 1 . 2]" 1
998 1 55 LYS QB 1 56 GLU H 4.130 . 4.340 2.435 2.328 2.672 . 0 0 "[ . 1 . 2]" 1
999 1 55 LYS QB 1 56 GLU QB 4.770 . 5.010 3.839 3.708 4.059 . 0 0 "[ . 1 . 2]" 1
1000 1 55 LYS QB 1 58 ASP H 5.340 . 5.610 5.185 4.945 5.420 . 0 0 "[ . 1 . 2]" 1
1001 1 56 GLU QB 1 57 ALA H 3.540 . 3.720 2.234 2.131 2.337 . 0 0 "[ . 1 . 2]" 1
1002 1 56 GLU QB 1 88 PHE QD 4.760 . 5.000 4.046 3.781 4.309 . 0 0 "[ . 1 . 2]" 1
1003 1 58 ASP H 1 58 ASP QB 3.190 . 3.350 2.271 2.227 2.406 . 0 0 "[ . 1 . 2]" 1
1004 1 58 ASP QB 1 59 ALA H 3.460 . 3.630 2.631 2.486 2.813 . 0 0 "[ . 1 . 2]" 1
1005 1 58 ASP QB 1 59 ALA MB 4.290 . 4.500 3.825 3.658 3.988 . 0 0 "[ . 1 . 2]" 1
1006 1 60 LEU H 1 60 LEU QB 3.490 . 3.660 2.296 2.168 2.418 . 0 0 "[ . 1 . 2]" 1
1007 1 60 LEU H 1 60 LEU QD 3.980 . 4.180 2.713 2.202 3.441 . 0 0 "[ . 1 . 2]" 1
1008 1 60 LEU HA 1 60 LEU QD 3.380 . 3.550 1.962 1.923 2.025 . 0 0 "[ . 1 . 2]" 1
1009 1 60 LEU QB 1 61 SER HA 5.340 . 5.610 4.881 4.778 5.047 . 0 0 "[ . 1 . 2]" 1
1010 1 60 LEU QB 1 84 GLN QG 3.640 . 3.820 2.193 1.796 2.895 0.004 6 0 "[ . 1 . 2]" 1
1011 1 60 LEU QD 1 84 GLN H 4.670 . 4.900 4.803 4.443 4.911 0.011 5 0 "[ . 1 . 2]" 1
1012 1 60 LEU QD 1 84 GLN HA 3.880 . 4.070 2.672 2.425 2.904 . 0 0 "[ . 1 . 2]" 1
1013 1 60 LEU QD 1 84 GLN HB3 4.260 . 4.470 3.439 3.177 3.872 . 0 0 "[ . 1 . 2]" 1
1014 1 60 LEU QD 1 84 GLN QG 3.410 . 3.580 2.068 1.806 2.357 . 0 0 "[ . 1 . 2]" 1
1015 1 60 LEU QD 1 84 GLN QE 3.680 . 3.860 2.833 1.849 3.876 0.016 11 0 "[ . 1 . 2]" 1
1016 1 60 LEU QD 1 87 ALA H 4.170 . 4.380 4.355 4.178 4.393 0.013 1 0 "[ . 1 . 2]" 1
1017 1 60 LEU QD 1 87 ALA MB 2.970 . 3.120 2.194 1.910 2.424 . 0 0 "[ . 1 . 2]" 1
1018 1 61 SER H 1 61 SER QB 3.680 . 3.860 3.280 3.029 3.432 . 0 0 "[ . 1 . 2]" 1
1019 1 61 SER QB 1 62 LEU H 4.040 . 4.240 3.928 3.834 4.050 . 0 0 "[ . 1 . 2]" 1
1020 1 62 LEU HB3 1 78 VAL QG 3.120 . 3.280 2.064 1.796 2.329 0.004 11 0 "[ . 1 . 2]" 1
1021 1 62 LEU HG 1 78 VAL QG 2.940 . 3.090 2.398 2.234 2.586 . 0 0 "[ . 1 . 2]" 1
1022 1 62 LEU HG 1 88 PHE QB 3.750 . 3.940 2.245 2.125 2.323 . 0 0 "[ . 1 . 2]" 1
1023 1 62 LEU QD 1 78 VAL QG 4.020 . 4.220 2.290 2.070 2.534 . 0 0 "[ . 1 . 2]" 1
1024 1 62 LEU QD 1 84 GLN QG 4.060 . 4.260 2.972 2.752 3.198 . 0 0 "[ . 1 . 2]" 1
1025 1 63 VAL H 1 78 VAL QG 3.870 . 4.060 3.734 3.437 4.062 0.002 14 0 "[ . 1 . 2]" 1
1026 1 63 VAL QG 1 64 GLY H 3.500 . 3.670 3.155 2.976 3.287 . 0 0 "[ . 1 . 2]" 1
1027 1 63 VAL QG 1 64 GLY QA 3.800 . 3.990 3.387 3.252 3.503 . 0 0 "[ . 1 . 2]" 1
1028 1 63 VAL QG 1 79 GLN H 3.630 . 3.810 3.299 2.992 3.553 . 0 0 "[ . 1 . 2]" 1
1029 1 63 VAL QG 1 79 GLN HA 4.460 . 4.680 4.180 4.057 4.666 . 0 0 "[ . 1 . 2]" 1
1030 1 63 VAL QG 1 79 GLN QB 3.530 . 3.710 2.060 1.786 3.419 0.014 13 0 "[ . 1 . 2]" 1
1031 1 63 VAL QG 1 79 GLN HG2 4.180 . 4.390 3.857 3.020 4.202 . 0 0 "[ . 1 . 2]" 1
1032 1 63 VAL QG 1 79 GLN HG3 3.120 . 3.280 2.775 1.791 3.287 0.009 15 0 "[ . 1 . 2]" 1
1033 1 63 VAL QG 1 79 GLN HE21 3.890 . 4.080 3.576 3.035 4.090 0.010 13 0 "[ . 1 . 2]" 1
1034 1 63 VAL QG 1 79 GLN HE22 3.980 . 4.180 3.781 3.276 4.182 0.002 4 0 "[ . 1 . 2]" 1
1035 1 63 VAL QG 1 114 ALA H 4.610 . 4.840 4.571 4.123 4.846 0.006 11 0 "[ . 1 . 2]" 1
1036 1 63 VAL QG 1 114 ALA MB 3.060 . 3.210 2.794 2.572 3.057 . 0 0 "[ . 1 . 2]" 1
1037 1 64 GLY QA 1 65 TYR H 2.880 . 3.020 2.154 2.137 2.178 . 0 0 "[ . 1 . 2]" 1
1038 1 64 GLY QA 1 77 VAL QG 3.690 . 3.870 3.425 3.240 3.707 . 0 0 "[ . 1 . 2]" 1
1039 1 64 GLY QA 1 79 GLN H 4.960 . 5.210 3.500 3.343 3.641 . 0 0 "[ . 1 . 2]" 1
1040 1 64 GLY QA 1 112 VAL MG2 3.840 . 4.030 3.410 3.038 3.666 . 0 0 "[ . 1 . 2]" 1
1041 1 64 GLY QA 1 114 ALA MB 3.530 . 3.710 2.651 2.191 3.005 . 0 0 "[ . 1 . 2]" 1
1042 1 65 TYR H 1 66 VAL QG 4.480 . 4.700 3.731 3.558 4.693 . 0 0 "[ . 1 . 2]" 1
1043 1 65 TYR H 1 77 VAL QG 4.190 . 4.400 3.882 3.757 4.048 . 0 0 "[ . 1 . 2]" 1
1044 1 65 TYR H 1 78 VAL QG 5.440 . 5.710 4.628 4.135 5.037 . 0 0 "[ . 1 . 2]" 1
1045 1 65 TYR QE 1 77 VAL QG 3.160 . 3.320 2.982 2.465 3.317 . 0 0 "[ . 1 . 2]" 1
1046 1 66 VAL H 1 66 VAL QG 3.680 . 3.860 3.078 2.835 3.147 . 0 0 "[ . 1 . 2]" 1
1047 1 66 VAL H 1 117 PHE QB 4.010 . 4.210 3.937 3.824 4.057 . 0 0 "[ . 1 . 2]" 1
1048 1 66 VAL QG 1 67 THR H 3.770 . 3.960 2.256 2.089 2.405 . 0 0 "[ . 1 . 2]" 1
1049 1 66 VAL QG 1 74 VAL QG 3.340 . 3.510 2.047 1.918 2.224 . 0 0 "[ . 1 . 2]" 1
1050 1 66 VAL QG 1 75 SER H 5.130 . 5.390 3.759 3.372 4.080 . 0 0 "[ . 1 . 2]" 1
1051 1 66 VAL QG 1 76 GLY QA 4.300 . 4.520 2.463 2.229 2.861 . 0 0 "[ . 1 . 2]" 1
1052 1 66 VAL QG 1 77 VAL H 3.550 . 3.730 3.451 3.246 3.739 0.009 13 0 "[ . 1 . 2]" 1
1053 1 66 VAL QG 1 117 PHE QB 5.280 . 5.540 2.933 2.335 3.238 . 0 0 "[ . 1 . 2]" 1
1054 1 66 VAL QG 1 117 PHE QD 4.170 . 4.380 1.905 1.795 2.515 0.005 16 0 "[ . 1 . 2]" 1
1055 1 66 VAL QG 1 118 GLU H 5.440 . 5.710 3.048 2.019 3.389 . 0 0 "[ . 1 . 2]" 1
1056 1 66 VAL QG 1 119 ILE H 4.280 . 4.490 4.161 3.832 4.498 0.008 19 0 "[ . 1 . 2]" 1
1057 1 66 VAL QG 1 119 ILE HA 3.830 . 4.020 3.210 2.961 3.469 . 0 0 "[ . 1 . 2]" 1
1058 1 66 VAL QG 1 119 ILE QG 3.670 . 3.850 3.529 2.898 3.859 0.009 2 0 "[ . 1 . 2]" 1
1059 1 66 VAL QG 1 119 ILE MD 3.200 . 3.360 2.322 2.084 2.940 . 0 0 "[ . 1 . 2]" 1
1060 1 66 VAL QG 1 120 ARG H 4.480 . 4.700 4.218 3.973 4.527 . 0 0 "[ . 1 . 2]" 1
1061 1 67 THR H 1 74 VAL QG 3.870 . 4.060 3.185 2.926 3.420 . 0 0 "[ . 1 . 2]" 1
1062 1 67 THR MG 1 69 ASN QD 3.850 . 4.040 3.004 2.413 3.704 . 0 0 "[ . 1 . 2]" 1
1063 1 68 ASN H 1 68 ASN QB 3.070 . 3.220 2.397 2.280 2.552 . 0 0 "[ . 1 . 2]" 1
1064 1 68 ASN HA 1 68 ASN QD 4.330 . 4.550 2.530 1.834 4.035 . 0 0 "[ . 1 . 2]" 1
1065 1 68 ASN HA 1 74 VAL QG 4.470 . 4.690 2.695 2.449 3.144 . 0 0 "[ . 1 . 2]" 1
1066 1 68 ASN QD 1 69 ASN HB2 5.060 . 5.310 4.349 3.474 5.312 0.002 13 0 "[ . 1 . 2]" 1
1067 1 68 ASN QD 1 72 GLY H 3.770 . 3.960 3.697 3.051 3.967 0.007 5 0 "[ . 1 . 2]" 1
1068 1 68 ASN QD 1 72 GLY QA 4.340 . 4.560 2.889 2.344 3.637 . 0 0 "[ . 1 . 2]" 1
1069 1 68 ASN QD 1 73 SER H 4.910 . 5.160 3.459 2.564 4.515 . 0 0 "[ . 1 . 2]" 1
1070 1 68 ASN QD 1 74 VAL QG 4.020 . 4.220 2.496 1.798 4.193 0.002 9 0 "[ . 1 . 2]" 1
1071 1 68 ASN QD 1 119 ILE MG 4.450 . 4.670 3.632 2.991 4.134 . 0 0 "[ . 1 . 2]" 1
1072 1 69 ASN H 1 69 ASN QD 4.950 . 5.200 3.101 2.030 4.453 . 0 0 "[ . 1 . 2]" 1
1073 1 70 GLU H 1 70 GLU QG 3.930 . 4.130 2.839 2.033 3.990 . 0 0 "[ . 1 . 2]" 1
1074 1 70 GLU HA 1 70 GLU QG 3.710 . 3.900 2.998 2.387 3.355 . 0 0 "[ . 1 . 2]" 1
1075 1 71 ASP H 1 71 ASP QB 3.130 . 3.290 2.406 2.205 2.552 . 0 0 "[ . 1 . 2]" 1
1076 1 71 ASP H 1 72 GLY QA 5.010 . 5.260 4.556 4.473 4.687 . 0 0 "[ . 1 . 2]" 1
1077 1 74 VAL QG 1 75 SER H 3.400 . 3.570 2.748 2.386 2.921 . 0 0 "[ . 1 . 2]" 1
1078 1 74 VAL QG 1 75 SER HA 4.250 . 4.460 3.724 3.511 3.867 . 0 0 "[ . 1 . 2]" 1
1079 1 75 SER QB 1 76 GLY H 4.110 . 4.320 2.686 2.388 3.411 . 0 0 "[ . 1 . 2]" 1
1080 1 76 GLY QA 1 77 VAL QG 4.120 . 4.330 3.060 3.002 3.116 . 0 0 "[ . 1 . 2]" 1
1081 1 77 VAL H 1 77 VAL QG 3.310 . 3.480 2.833 2.763 2.883 . 0 0 "[ . 1 . 2]" 1
1082 1 77 VAL QG 1 78 VAL H 3.050 . 3.200 2.424 2.284 2.533 . 0 0 "[ . 1 . 2]" 1
1083 1 77 VAL QG 1 79 GLN HG2 4.320 . 4.540 2.593 2.118 3.312 . 0 0 "[ . 1 . 2]" 1
1084 1 77 VAL QG 1 107 HIS QB 5.280 . 5.540 4.737 4.531 4.922 . 0 0 "[ . 1 . 2]" 1
1085 1 77 VAL QG 1 109 SER QB 3.440 . 3.610 3.301 3.039 3.616 0.006 10 0 "[ . 1 . 2]" 1
1086 1 78 VAL H 1 78 VAL QG 2.970 . 3.120 2.512 2.167 2.827 . 0 0 "[ . 1 . 2]" 1
1087 1 78 VAL QG 1 79 GLN H 3.190 . 3.350 2.368 2.239 2.520 . 0 0 "[ . 1 . 2]" 1
1088 1 78 VAL QG 1 85 VAL HA 3.480 . 3.650 2.626 2.282 3.088 . 0 0 "[ . 1 . 2]" 1
1089 1 78 VAL QG 1 85 VAL MG1 3.890 . 4.080 2.163 1.887 2.538 . 0 0 "[ . 1 . 2]" 1
1090 1 78 VAL QG 1 85 VAL MG2 3.170 . 3.330 2.212 1.957 2.493 . 0 0 "[ . 1 . 2]" 1
1091 1 78 VAL QG 1 88 PHE QB 4.430 . 4.650 2.481 2.243 2.683 . 0 0 "[ . 1 . 2]" 1
1092 1 79 GLN QB 1 79 GLN HE21 3.890 . 4.080 1.923 1.810 2.641 . 0 0 "[ . 1 . 2]" 1
1093 1 79 GLN QB 1 79 GLN HE22 3.740 . 3.930 3.253 3.190 3.555 . 0 0 "[ . 1 . 2]" 1
1094 1 79 GLN QB 1 80 GLY H 3.530 . 3.710 3.032 2.575 3.304 . 0 0 "[ . 1 . 2]" 1
1095 1 79 GLN HE21 1 111 ARG QD 4.520 . 4.750 3.919 2.825 4.751 0.001 10 0 "[ . 1 . 2]" 1
1096 1 79 GLN HE22 1 111 ARG QG 4.240 . 4.450 2.477 1.800 2.921 . 0 0 "[ . 1 . 2]" 1
1097 1 79 GLN HE22 1 111 ARG QD 4.540 . 4.770 3.911 2.255 4.764 . 0 0 "[ . 1 . 2]" 1
1098 1 81 PRO HB2 1 83 GLU QG 3.170 . 3.330 2.638 2.167 3.338 0.008 7 0 "[ . 1 . 2]" 1
1099 1 81 PRO HG2 1 84 GLN QE 4.690 . 4.920 3.793 2.034 4.440 . 0 0 "[ . 1 . 2]" 1
1100 1 82 LYS H 1 82 LYS QB 3.490 . 3.660 2.461 2.179 2.761 . 0 0 "[ . 1 . 2]" 1
1101 1 82 LYS H 1 83 GLU QG 4.540 . 4.770 3.963 3.718 4.147 . 0 0 "[ . 1 . 2]" 1
1102 1 82 LYS HA 1 82 LYS QD 4.810 . 5.050 3.732 3.207 3.915 . 0 0 "[ . 1 . 2]" 1
1103 1 82 LYS QB 1 82 LYS QD 3.190 . 3.350 2.440 2.172 2.838 . 0 0 "[ . 1 . 2]" 1
1104 1 82 LYS QB 1 83 GLU H 4.100 . 4.300 3.273 2.439 3.711 . 0 0 "[ . 1 . 2]" 1
1105 1 82 LYS QD 1 83 GLU H 3.830 . 4.020 2.523 1.793 3.458 0.007 18 0 "[ . 1 . 2]" 1
1106 1 82 LYS QD 1 83 GLU HA 4.240 . 4.450 2.787 2.266 3.523 . 0 0 "[ . 1 . 2]" 1
1107 1 82 LYS QD 1 86 ASP H 5.340 . 5.610 4.620 3.723 5.451 . 0 0 "[ . 1 . 2]" 1
1108 1 83 GLU H 1 83 GLU QB 2.990 . 3.140 2.662 2.473 2.792 . 0 0 "[ . 1 . 2]" 1
1109 1 83 GLU HA 1 83 GLU QG 3.410 . 3.580 3.128 2.468 3.426 . 0 0 "[ . 1 . 2]" 1
1110 1 83 GLU QB 1 83 GLU QG 2.360 . 2.480 2.075 2.001 2.092 . 0 0 "[ . 1 . 2]" 1
1111 1 83 GLU QB 1 84 GLN H 3.510 . 3.690 3.048 2.275 3.540 . 0 0 "[ . 1 . 2]" 1
1112 1 83 GLU QB 1 84 GLN HA 5.140 . 5.400 4.108 3.786 4.339 . 0 0 "[ . 1 . 2]" 1
1113 1 83 GLU QB 1 84 GLN QE 4.750 . 4.990 2.553 1.883 3.714 . 0 0 "[ . 1 . 2]" 1
1114 1 83 GLU QB 1 86 ASP HB3 5.340 . 5.610 4.131 3.568 4.590 . 0 0 "[ . 1 . 2]" 1
1115 1 83 GLU QG 1 84 GLN H 3.980 . 4.180 2.611 1.909 3.829 . 0 0 "[ . 1 . 2]" 1
1116 1 83 GLU QG 1 84 GLN QE 4.000 . 4.200 2.539 1.952 3.892 . 0 0 "[ . 1 . 2]" 1
1117 1 84 GLN QG 1 85 VAL H 4.510 . 4.740 4.603 4.494 4.682 . 0 0 "[ . 1 . 2]" 1
1118 1 85 VAL HA 1 88 PHE QB 3.990 . 4.190 2.665 2.412 2.856 . 0 0 "[ . 1 . 2]" 1
1119 1 86 ASP HA 1 89 VAL QG 3.970 . 4.170 2.091 1.798 2.675 0.002 9 0 "[ . 1 . 2]" 1
1120 1 88 PHE H 1 88 PHE QB 3.260 . 3.420 2.213 2.197 2.231 . 0 0 "[ . 1 . 2]" 1
1121 1 88 PHE H 1 89 VAL QG 5.270 . 5.530 4.000 3.924 4.132 . 0 0 "[ . 1 . 2]" 1
1122 1 88 PHE QB 1 89 VAL H 3.440 . 3.610 2.569 2.354 2.711 . 0 0 "[ . 1 . 2]" 1
1123 1 88 PHE QB 1 89 VAL QG 4.350 . 4.570 3.810 3.294 4.173 . 0 0 "[ . 1 . 2]" 1
1124 1 89 VAL H 1 89 VAL QG 2.830 . 2.970 2.224 2.073 2.346 . 0 0 "[ . 1 . 2]" 1
1125 1 89 VAL HA 1 89 VAL QG 2.820 . 2.960 2.213 2.148 2.261 . 0 0 "[ . 1 . 2]" 1
1126 1 89 VAL HA 1 104 VAL QG 4.570 . 4.800 4.403 3.902 4.587 . 0 0 "[ . 1 . 2]" 1
1127 1 89 VAL QG 1 90 LYS H 3.520 . 3.700 2.504 2.040 3.187 . 0 0 "[ . 1 . 2]" 1
1128 1 89 VAL QG 1 91 TYR H 4.710 . 4.950 4.324 4.067 4.704 . 0 0 "[ . 1 . 2]" 1
1129 1 89 VAL QG 1 92 LEU HB2 3.860 . 4.050 3.656 3.419 3.921 . 0 0 "[ . 1 . 2]" 1
1130 1 89 VAL QG 1 93 HIS HD2 3.920 . 4.120 2.868 2.167 3.530 . 0 0 "[ . 1 . 2]" 1
1131 1 90 LYS QG 1 91 TYR H 4.750 . 4.990 3.905 2.813 4.586 . 0 0 "[ . 1 . 2]" 1
1132 1 92 LEU HA 1 101 VAL QG 5.440 . 5.710 4.793 4.015 5.712 0.002 20 0 "[ . 1 . 2]" 1
1133 1 92 LEU HB2 1 104 VAL QG 3.940 . 4.140 3.985 3.114 4.144 0.004 8 0 "[ . 1 . 2]" 1
1134 1 92 LEU HB3 1 104 VAL QG 3.920 . 4.120 2.719 1.984 2.954 . 0 0 "[ . 1 . 2]" 1
1135 1 92 LEU HG 1 104 VAL QG 3.660 . 3.840 2.972 2.589 3.302 . 0 0 "[ . 1 . 2]" 1
1136 1 92 LEU MD1 1 104 VAL QG 2.700 . 2.840 2.033 1.820 2.188 . 0 0 "[ . 1 . 2]" 1
1137 1 93 HIS H 1 93 HIS QB 3.070 . 3.220 2.350 2.236 2.518 . 0 0 "[ . 1 . 2]" 1
1138 1 93 HIS H 1 104 VAL QG 4.050 . 4.250 4.125 3.471 4.259 0.009 14 0 "[ . 1 . 2]" 1
1139 1 93 HIS HA 1 104 VAL QG 3.220 . 3.380 3.089 2.144 3.382 0.002 19 0 "[ . 1 . 2]" 1
1140 1 93 HIS QB 1 94 LYS H 4.120 . 4.330 3.009 2.771 3.338 . 0 0 "[ . 1 . 2]" 1
1141 1 93 HIS QB 1 104 VAL QG 4.740 . 4.980 4.056 3.623 4.352 . 0 0 "[ . 1 . 2]" 1
1142 1 94 LYS QB 1 95 GLY H 3.480 . 3.650 2.676 2.212 3.038 . 0 0 "[ . 1 . 2]" 1
1143 1 95 GLY H 1 101 VAL QG 4.720 . 4.960 3.694 3.353 4.523 . 0 0 "[ . 1 . 2]" 1
1144 1 95 GLY QA 1 101 VAL QG 3.500 . 3.670 2.125 1.804 2.785 . 0 0 "[ . 1 . 2]" 1
1145 1 96 SER H 1 101 VAL QG 5.300 . 5.570 2.899 2.123 3.528 . 0 0 "[ . 1 . 2]" 1
1146 1 96 SER HA 1 97 PRO QD 3.590 . 3.770 2.003 1.795 2.184 0.005 20 0 "[ . 1 . 2]" 1
1147 1 96 SER QB 1 97 PRO QD 4.300 . 4.520 2.668 1.990 3.280 . 0 0 "[ . 1 . 2]" 1
1148 1 98 LYS QG 1 99 SER H 4.620 . 4.850 4.063 3.078 4.546 . 0 0 "[ . 1 . 2]" 1
1149 1 100 VAL H 1 100 VAL QG 3.290 . 3.450 2.307 1.937 2.803 . 0 0 "[ . 1 . 2]" 1
1150 1 100 VAL HA 1 100 VAL QG 2.760 . 2.900 2.149 2.127 2.158 . 0 0 "[ . 1 . 2]" 1
1151 1 100 VAL HA 1 101 VAL QG 4.000 . 4.200 3.404 3.282 4.221 0.021 16 0 "[ . 1 . 2]" 1
1152 1 100 VAL QG 1 101 VAL H 3.050 . 3.200 2.727 2.093 3.223 0.023 15 0 "[ . 1 . 2]" 1
1153 1 101 VAL H 1 101 VAL QG 2.910 . 3.060 1.944 1.859 2.892 . 0 0 "[ . 1 . 2]" 1
1154 1 101 VAL HA 1 101 VAL QG 3.150 . 3.310 2.279 2.112 2.329 . 0 0 "[ . 1 . 2]" 1
1155 1 101 VAL QG 1 102 LYS H 4.080 . 4.280 3.390 2.384 3.639 . 0 0 "[ . 1 . 2]" 1
1156 1 103 LYS H 1 103 LYS QB 3.480 . 3.650 2.806 2.638 2.999 . 0 0 "[ . 1 . 2]" 1
1157 1 103 LYS QB 1 104 VAL H 4.060 . 4.260 3.642 3.307 3.828 . 0 0 "[ . 1 . 2]" 1
1158 1 104 VAL H 1 104 VAL QG 3.210 . 3.370 2.024 1.925 2.304 . 0 0 "[ . 1 . 2]" 1
1159 1 104 VAL QG 1 105 SER H 3.300 . 3.470 2.382 2.170 2.950 . 0 0 "[ . 1 . 2]" 1
1160 1 104 VAL QG 1 106 ILE H 4.680 . 4.910 4.076 3.853 4.386 . 0 0 "[ . 1 . 2]" 1
1161 1 104 VAL QG 1 106 ILE HG12 4.150 . 4.360 2.953 2.675 3.439 . 0 0 "[ . 1 . 2]" 1
1162 1 104 VAL QG 1 106 ILE MD 3.030 . 3.180 2.179 1.950 2.381 . 0 0 "[ . 1 . 2]" 1
1163 1 107 HIS QB 1 108 ALA H 3.600 . 3.780 3.171 2.452 3.457 . 0 0 "[ . 1 . 2]" 1
1164 1 107 HIS QB 1 108 ALA MB 4.800 . 5.040 4.558 3.990 4.808 . 0 0 "[ . 1 . 2]" 1
1165 1 107 HIS QB 1 109 SER H 3.580 . 3.760 2.974 2.648 3.426 . 0 0 "[ . 1 . 2]" 1
1166 1 109 SER QB 1 110 SER H 3.220 . 3.380 2.981 2.698 3.107 . 0 0 "[ . 1 . 2]" 1
1167 1 109 SER QB 1 112 VAL MG1 4.140 . 4.350 3.482 3.241 3.848 . 0 0 "[ . 1 . 2]" 1
1168 1 109 SER QB 1 112 VAL MG2 4.650 . 4.880 4.772 4.510 4.883 0.003 4 0 "[ . 1 . 2]" 1
1169 1 110 SER H 1 110 SER QB 3.180 . 3.340 2.517 2.237 2.722 . 0 0 "[ . 1 . 2]" 1
1170 1 110 SER HA 1 111 ARG QB 4.580 . 4.810 4.372 4.269 4.437 . 0 0 "[ . 1 . 2]" 1
1171 1 111 ARG H 1 111 ARG QD 4.920 . 5.170 4.531 4.321 4.748 . 0 0 "[ . 1 . 2]" 1
1172 1 111 ARG HA 1 111 ARG QG 3.580 . 3.760 2.463 2.315 2.630 . 0 0 "[ . 1 . 2]" 1
1173 1 111 ARG HA 1 111 ARG QD 4.650 . 4.880 3.970 3.160 4.298 . 0 0 "[ . 1 . 2]" 1
1174 1 111 ARG QB 1 111 ARG QD 2.850 . 2.990 2.305 2.114 2.709 . 0 0 "[ . 1 . 2]" 1
1175 1 111 ARG QG 1 112 VAL H 3.260 . 3.420 2.641 2.302 2.982 . 0 0 "[ . 1 . 2]" 1
1176 1 111 ARG QD 1 112 VAL H 4.840 . 5.080 4.349 1.989 4.998 . 0 0 "[ . 1 . 2]" 1
1177 1 113 ASP H 1 113 ASP QB 2.970 . 3.120 2.410 2.257 2.709 . 0 0 "[ . 1 . 2]" 1
1178 1 113 ASP QB 1 114 ALA H 4.030 . 4.230 3.410 2.931 3.860 . 0 0 "[ . 1 . 2]" 1
1179 1 114 ALA HA 1 115 ASP QB 4.870 . 5.110 4.049 3.816 4.584 . 0 0 "[ . 1 . 2]" 1
1180 1 115 ASP H 1 115 ASP QB 3.280 . 3.440 2.619 2.381 3.342 . 0 0 "[ . 1 . 2]" 1
1181 1 115 ASP QB 1 116 GLY H 4.170 . 4.380 2.613 2.287 3.901 . 0 0 "[ . 1 . 2]" 1
1182 1 116 GLY QA 1 117 PHE H 2.730 . 2.870 2.182 2.129 2.673 . 0 0 "[ . 1 . 2]" 1
1183 1 117 PHE QB 1 118 GLU H 4.410 . 4.630 3.530 3.505 3.570 . 0 0 "[ . 1 . 2]" 1
1184 1 119 ILE H 1 119 ILE QG 3.920 . 4.120 2.663 1.940 3.403 . 0 0 "[ . 1 . 2]" 1
1185 1 119 ILE MG 1 121 ARG QD 4.390 . 4.610 3.179 2.270 4.614 0.004 13 0 "[ . 1 . 2]" 1
1186 1 121 ARG H 1 121 ARG QG 2.990 . 3.140 2.968 2.661 3.153 0.013 15 0 "[ . 1 . 2]" 1
1187 1 121 ARG HA 1 121 ARG QG 3.040 . 3.190 2.511 2.365 2.965 . 0 0 "[ . 1 . 2]" 1
1188 1 121 ARG HA 1 121 ARG QD 4.740 . 4.980 3.948 2.038 4.261 . 0 0 "[ . 1 . 2]" 1
1189 1 121 ARG HB3 1 121 ARG QD 3.590 . 3.770 2.674 2.367 2.904 . 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 78
_Distance_constraint_stats_list.Viol_count 355
_Distance_constraint_stats_list.Viol_total 65.699
_Distance_constraint_stats_list.Viol_max 0.037
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0093
_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 34 THR 0.044 0.007 16 0 "[ . 1 . 2]"
1 36 LEU 0.076 0.012 18 0 "[ . 1 . 2]"
1 37 CYS 0.062 0.017 12 0 "[ . 1 . 2]"
1 38 TYR 0.015 0.004 9 0 "[ . 1 . 2]"
1 39 ARG 0.030 0.007 15 0 "[ . 1 . 2]"
1 40 VAL 0.053 0.013 9 0 "[ . 1 . 2]"
1 41 THR 0.016 0.006 14 0 "[ . 1 . 2]"
1 49 PHE 0.216 0.025 16 0 "[ . 1 . 2]"
1 51 LYS 0.087 0.012 17 0 "[ . 1 . 2]"
1 52 TYR 0.013 0.005 1 0 "[ . 1 . 2]"
1 53 THR 0.355 0.025 16 0 "[ . 1 . 2]"
1 54 LYS 0.017 0.006 5 0 "[ . 1 . 2]"
1 55 LYS 0.140 0.013 15 0 "[ . 1 . 2]"
1 56 GLU 0.070 0.019 16 0 "[ . 1 . 2]"
1 57 ALA 1.238 0.037 16 0 "[ . 1 . 2]"
1 58 ASP 0.017 0.006 5 0 "[ . 1 . 2]"
1 59 ALA 0.053 0.013 15 0 "[ . 1 . 2]"
1 60 LEU 0.057 0.019 16 0 "[ . 1 . 2]"
1 61 SER 1.070 0.037 16 0 "[ . 1 . 2]"
1 62 LEU 0.030 0.007 12 0 "[ . 1 . 2]"
1 63 VAL 0.079 0.010 6 0 "[ . 1 . 2]"
1 64 GLY 0.046 0.010 19 0 "[ . 1 . 2]"
1 65 TYR 0.194 0.021 13 0 "[ . 1 . 2]"
1 66 VAL 0.629 0.035 7 0 "[ . 1 . 2]"
1 67 THR 0.004 0.004 13 0 "[ . 1 . 2]"
1 74 VAL 0.053 0.013 9 0 "[ . 1 . 2]"
1 75 SER 0.004 0.004 13 0 "[ . 1 . 2]"
1 76 GLY 0.015 0.004 9 0 "[ . 1 . 2]"
1 77 VAL 0.194 0.021 13 0 "[ . 1 . 2]"
1 78 VAL 0.076 0.012 18 0 "[ . 1 . 2]"
1 79 GLN 0.079 0.010 6 0 "[ . 1 . 2]"
1 80 GLY 0.044 0.007 16 0 "[ . 1 . 2]"
1 81 PRO 0.004 0.004 10 0 "[ . 1 . 2]"
1 82 LYS 0.019 0.007 9 0 "[ . 1 . 2]"
1 83 GLU 0.091 0.016 14 0 "[ . 1 . 2]"
1 84 GLN 0.044 0.008 7 0 "[ . 1 . 2]"
1 85 VAL 0.019 0.010 3 0 "[ . 1 . 2]"
1 86 ASP 0.057 0.010 6 0 "[ . 1 . 2]"
1 87 ALA 0.171 0.016 9 0 "[ . 1 . 2]"
1 88 PHE 0.049 0.008 7 0 "[ . 1 . 2]"
1 89 VAL 0.075 0.010 3 0 "[ . 1 . 2]"
1 90 LYS 0.038 0.010 6 0 "[ . 1 . 2]"
1 91 TYR 0.080 0.016 9 0 "[ . 1 . 2]"
1 92 LEU 0.006 0.004 19 0 "[ . 1 . 2]"
1 93 HIS 0.059 0.008 10 0 "[ . 1 . 2]"
1 103 LYS 0.016 0.006 14 0 "[ . 1 . 2]"
1 105 SER 0.030 0.007 15 0 "[ . 1 . 2]"
1 107 HIS 0.062 0.017 12 0 "[ . 1 . 2]"
1 115 ASP 0.046 0.010 19 0 "[ . 1 . 2]"
1 116 GLY 0.295 0.023 16 0 "[ . 1 . 2]"
1 118 GLU 0.334 0.035 7 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 81 PRO O 1 85 VAL H 2.000 . 2.000 1.918 1.830 2.004 0.004 10 0 "[ . 1 . 2]" 2
2 1 81 PRO O 1 85 VAL N 3.000 2.700 3.000 2.884 2.795 2.985 . 0 0 "[ . 1 . 2]" 2
3 1 82 LYS O 1 86 ASP H 2.000 . 2.000 1.933 1.825 2.007 0.007 9 0 "[ . 1 . 2]" 2
4 1 82 LYS O 1 86 ASP N 3.000 2.700 3.000 2.819 2.697 2.936 0.003 2 0 "[ . 1 . 2]" 2
5 1 83 GLU O 1 87 ALA H 2.000 . 2.000 1.995 1.921 2.016 0.016 14 0 "[ . 1 . 2]" 2
6 1 83 GLU O 1 87 ALA N 3.000 2.700 3.000 2.876 2.791 2.962 . 0 0 "[ . 1 . 2]" 2
7 1 84 GLN O 1 88 PHE H 2.000 . 2.000 1.985 1.918 2.008 0.008 7 0 "[ . 1 . 2]" 2
8 1 84 GLN O 1 88 PHE N 3.000 2.700 3.000 2.860 2.755 2.931 . 0 0 "[ . 1 . 2]" 2
9 1 85 VAL O 1 89 VAL H 2.000 . 2.000 1.948 1.868 2.010 0.010 3 0 "[ . 1 . 2]" 2
10 1 85 VAL O 1 89 VAL N 3.000 2.700 3.000 2.879 2.777 2.951 . 0 0 "[ . 1 . 2]" 2
11 1 86 ASP O 1 90 LYS H 2.000 . 2.000 1.964 1.817 2.010 0.010 6 0 "[ . 1 . 2]" 2
12 1 86 ASP O 1 90 LYS N 3.000 2.700 3.000 2.895 2.781 2.970 . 0 0 "[ . 1 . 2]" 2
13 1 87 ALA O 1 91 TYR H 2.000 . 2.000 1.990 1.933 2.016 0.016 9 0 "[ . 1 . 2]" 2
14 1 87 ALA O 1 91 TYR N 3.000 2.700 3.000 2.915 2.786 2.986 . 0 0 "[ . 1 . 2]" 2
15 1 88 PHE O 1 92 LEU H 2.000 . 2.000 1.907 1.826 1.993 . 0 0 "[ . 1 . 2]" 2
16 1 88 PHE O 1 92 LEU N 3.000 2.700 3.000 2.772 2.696 2.903 0.004 19 0 "[ . 1 . 2]" 2
17 1 89 VAL O 1 93 HIS H 2.000 . 2.000 1.971 1.855 2.008 0.008 10 0 "[ . 1 . 2]" 2
18 1 89 VAL O 1 93 HIS N 3.000 2.700 3.000 2.847 2.767 2.913 . 0 0 "[ . 1 . 2]" 2
19 1 56 GLU O 1 60 LEU H 2.000 . 2.000 1.967 1.836 2.019 0.019 16 0 "[ . 1 . 2]" 2
20 1 56 GLU O 1 60 LEU N 3.000 2.700 3.000 2.934 2.792 2.998 . 0 0 "[ . 1 . 2]" 2
21 1 55 LYS O 1 59 ALA H 2.000 . 2.000 1.991 1.873 2.013 0.013 15 0 "[ . 1 . 2]" 2
22 1 55 LYS O 1 59 ALA N 3.000 2.700 3.000 2.882 2.757 2.939 . 0 0 "[ . 1 . 2]" 2
23 1 54 LYS O 1 58 ASP H 2.000 . 2.000 1.882 1.795 2.006 0.006 5 0 "[ . 1 . 2]" 2
24 1 54 LYS O 1 58 ASP N 3.000 2.700 3.000 2.799 2.713 2.935 . 0 0 "[ . 1 . 2]" 2
25 1 53 THR O 1 57 ALA H 2.000 . 2.000 2.004 1.944 2.018 0.018 8 0 "[ . 1 . 2]" 2
26 1 53 THR O 1 57 ALA N 3.000 2.700 3.000 2.970 2.899 3.001 0.001 11 0 "[ . 1 . 2]" 2
27 1 52 TYR O 1 56 GLU H 2.000 . 2.000 1.924 1.831 2.005 0.005 1 0 "[ . 1 . 2]" 2
28 1 52 TYR O 1 56 GLU N 3.000 2.700 3.000 2.868 2.773 2.986 . 0 0 "[ . 1 . 2]" 2
29 1 51 LYS O 1 55 LYS H 2.000 . 2.000 1.982 1.809 2.012 0.012 17 0 "[ . 1 . 2]" 2
30 1 51 LYS O 1 55 LYS N 3.000 2.700 3.000 2.922 2.768 2.979 . 0 0 "[ . 1 . 2]" 2
31 1 39 ARG O 1 105 SER H 2.000 . 2.000 1.951 1.850 2.005 0.005 6 0 "[ . 1 . 2]" 2
32 1 39 ARG O 1 105 SER N 3.000 2.700 3.000 2.740 2.693 2.812 0.007 15 0 "[ . 1 . 2]" 2
33 1 39 ARG H 1 105 SER O 2.000 . 2.000 1.927 1.876 2.002 0.002 7 0 "[ . 1 . 2]" 2
34 1 39 ARG N 1 105 SER O 3.000 2.700 3.000 2.781 2.724 2.851 . 0 0 "[ . 1 . 2]" 2
35 1 37 CYS H 1 107 HIS O 2.000 . 2.000 1.982 1.918 2.017 0.017 12 0 "[ . 1 . 2]" 2
36 1 37 CYS N 1 107 HIS O 3.000 2.700 3.000 2.889 2.778 2.937 . 0 0 "[ . 1 . 2]" 2
37 1 41 THR H 1 103 LYS O 2.000 . 2.000 1.921 1.806 2.006 0.006 14 0 "[ . 1 . 2]" 2
38 1 41 THR N 1 103 LYS O 3.000 2.700 3.000 2.863 2.754 2.968 . 0 0 "[ . 1 . 2]" 2
39 1 38 TYR H 1 76 GLY O 2.000 . 2.000 1.826 1.796 1.903 0.004 7 0 "[ . 1 . 2]" 2
40 1 38 TYR N 1 76 GLY O 3.000 2.700 3.000 2.741 2.722 2.768 . 0 0 "[ . 1 . 2]" 2
41 1 38 TYR O 1 76 GLY H 2.000 . 2.000 1.925 1.833 2.003 0.003 14 0 "[ . 1 . 2]" 2
42 1 38 TYR O 1 76 GLY N 3.000 2.700 3.000 2.802 2.696 2.871 0.004 9 0 "[ . 1 . 2]" 2
43 1 36 LEU H 1 78 VAL O 2.000 . 2.000 1.981 1.891 2.012 0.012 18 0 "[ . 1 . 2]" 2
44 1 36 LEU N 1 78 VAL O 3.000 2.700 3.000 2.927 2.858 2.967 . 0 0 "[ . 1 . 2]" 2
45 1 36 LEU O 1 78 VAL H 2.000 . 2.000 1.894 1.820 1.972 . 0 0 "[ . 1 . 2]" 2
46 1 36 LEU O 1 78 VAL N 3.000 2.700 3.000 2.864 2.791 2.937 . 0 0 "[ . 1 . 2]" 2
47 1 40 VAL H 1 74 VAL O 2.000 . 2.000 1.878 1.816 1.947 . 0 0 "[ . 1 . 2]" 2
48 1 40 VAL N 1 74 VAL O 3.000 2.700 3.000 2.824 2.742 2.904 . 0 0 "[ . 1 . 2]" 2
49 1 40 VAL O 1 74 VAL H 2.000 . 2.000 1.909 1.799 2.011 0.011 20 0 "[ . 1 . 2]" 2
50 1 40 VAL O 1 74 VAL N 3.000 2.700 3.000 2.764 2.687 2.897 0.013 9 0 "[ . 1 . 2]" 2
51 1 65 TYR O 1 77 VAL H 2.000 . 2.000 1.836 1.793 1.880 0.007 13 0 "[ . 1 . 2]" 2
52 1 65 TYR O 1 77 VAL N 3.000 2.700 3.000 2.751 2.718 2.794 . 0 0 "[ . 1 . 2]" 2
53 1 65 TYR H 1 77 VAL O 2.000 . 2.000 2.009 2.000 2.021 0.021 13 0 "[ . 1 . 2]" 2
54 1 65 TYR N 1 77 VAL O 3.000 2.700 3.000 2.954 2.932 2.971 . 0 0 "[ . 1 . 2]" 2
55 1 67 THR H 1 75 SER O 2.000 . 2.000 1.887 1.817 1.960 . 0 0 "[ . 1 . 2]" 2
56 1 67 THR N 1 75 SER O 3.000 2.700 3.000 2.806 2.718 2.876 . 0 0 "[ . 1 . 2]" 2
57 1 67 THR O 1 75 SER H 2.000 . 2.000 1.919 1.850 1.985 . 0 0 "[ . 1 . 2]" 2
58 1 67 THR O 1 75 SER N 3.000 2.700 3.000 2.811 2.696 2.936 0.004 13 0 "[ . 1 . 2]" 2
59 1 34 THR O 1 80 GLY H 2.000 . 2.000 1.945 1.808 2.003 0.003 19 0 "[ . 1 . 2]" 2
60 1 34 THR O 1 80 GLY N 3.000 2.700 3.000 2.867 2.765 2.937 . 0 0 "[ . 1 . 2]" 2
61 1 63 VAL O 1 79 GLN H 2.000 . 2.000 1.919 1.836 1.985 . 0 0 "[ . 1 . 2]" 2
62 1 63 VAL O 1 79 GLN N 3.000 2.700 3.000 2.716 2.690 2.807 0.010 6 0 "[ . 1 . 2]" 2
63 1 57 ALA O 1 62 LEU H 2.000 . 2.000 1.979 1.888 2.007 0.007 12 0 "[ . 1 . 2]" 2
64 1 57 ALA O 1 62 LEU N 3.000 2.700 3.000 2.854 2.739 2.921 . 0 0 "[ . 1 . 2]" 2
65 1 63 VAL H 1 79 GLN O 2.300 . 2.300 2.123 1.852 2.303 0.003 10 0 "[ . 1 . 2]" 2
66 1 63 VAL N 1 79 GLN O 3.300 . 3.300 3.078 2.828 3.270 . 0 0 "[ . 1 . 2]" 2
67 1 34 THR H 1 80 GLY O 2.000 . 2.000 1.911 1.801 2.007 0.007 3 0 "[ . 1 . 2]" 2
68 1 34 THR N 1 80 GLY O 3.000 2.700 3.000 2.746 2.693 2.912 0.007 16 0 "[ . 1 . 2]" 2
69 1 66 VAL H 1 116 GLY O 2.000 . 2.000 2.015 2.002 2.023 0.023 16 0 "[ . 1 . 2]" 2
70 1 66 VAL N 1 116 GLY O 3.000 2.700 3.000 2.932 2.923 2.943 . 0 0 "[ . 1 . 2]" 2
71 1 64 GLY O 1 115 ASP H 2.000 . 2.000 1.951 1.849 2.008 0.008 19 0 "[ . 1 . 2]" 2
72 1 64 GLY O 1 115 ASP N 3.000 2.700 3.000 2.842 2.690 2.958 0.010 19 0 "[ . 1 . 2]" 2
73 1 66 VAL O 1 118 GLU H 2.000 . 2.000 2.017 2.006 2.035 0.035 7 0 "[ . 1 . 2]" 2
74 1 66 VAL O 1 118 GLU N 3.000 2.700 3.000 2.970 2.904 2.989 . 0 0 "[ . 1 . 2]" 2
75 1 49 PHE O 1 53 THR H 2.000 . 2.000 2.006 1.920 2.025 0.025 16 0 "[ . 1 . 2]" 2
76 1 49 PHE O 1 53 THR N 3.000 2.700 3.000 2.954 2.873 3.017 0.017 11 0 "[ . 1 . 2]" 2
77 1 57 ALA O 1 61 SER H 2.000 . 2.000 2.025 2.015 2.037 0.037 8 0 "[ . 1 . 2]" 2
78 1 57 ALA O 1 61 SER N 3.000 2.700 3.000 2.672 2.663 2.684 0.037 16 0 "[ . 1 . 2]" 2
stop_
save_
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