NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
590308 |
2rue   |
11561 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rue
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 1391
_Distance_constraint_stats_list.Viol_count 832
_Distance_constraint_stats_list.Viol_total 286.971
_Distance_constraint_stats_list.Viol_max 1.020
_Distance_constraint_stats_list.Viol_rms 0.0296
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0345
_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 7 GLY 0.000 0.000 . 0 "[ . 1]"
1 8 PRO 0.150 0.074 3 0 "[ . 1]"
1 9 VAL 0.153 0.074 3 0 "[ . 1]"
1 10 THR 0.055 0.034 2 0 "[ . 1]"
1 11 VAL 0.051 0.034 2 0 "[ . 1]"
1 12 VAL 0.758 0.058 9 0 "[ . 1]"
1 13 VAL 0.179 0.028 9 0 "[ . 1]"
1 14 ALA 0.054 0.014 8 0 "[ . 1]"
1 15 LYS 0.025 0.005 9 0 "[ . 1]"
1 16 ASN 0.297 0.035 5 0 "[ . 1]"
1 17 TYR 1.463 0.051 4 0 "[ . 1]"
1 18 ASN 0.498 0.051 4 0 "[ . 1]"
1 19 GLU 0.013 0.013 3 0 "[ . 1]"
1 20 ILE 0.664 0.031 2 0 "[ . 1]"
1 21 VAL 0.866 0.069 4 0 "[ . 1]"
1 22 LEU 0.270 0.027 4 0 "[ . 1]"
1 23 ASP 0.000 0.000 . 0 "[ . 1]"
1 24 ASP 0.129 0.022 2 0 "[ . 1]"
1 25 THR 0.008 0.008 5 0 "[ . 1]"
1 26 LYS 0.020 0.005 9 0 "[ . 1]"
1 27 ASP 0.037 0.006 10 0 "[ . 1]"
1 28 VAL 0.029 0.013 3 0 "[ . 1]"
1 29 LEU 0.346 0.038 10 0 "[ . 1]"
1 30 ILE 0.532 0.051 10 0 "[ . 1]"
1 31 GLU 0.271 0.051 10 0 "[ . 1]"
1 32 PHE 0.510 0.045 8 0 "[ . 1]"
1 33 TYR 0.081 0.018 3 0 "[ . 1]"
1 34 ALA 0.090 0.023 10 0 "[ . 1]"
1 35 PRO 0.095 0.012 3 0 "[ . 1]"
1 36 TRP 0.009 0.005 8 0 "[ . 1]"
1 37 CYS 0.169 0.022 10 0 "[ . 1]"
1 38 GLY 0.000 0.000 . 0 "[ . 1]"
1 39 HIS 0.307 0.048 8 0 "[ . 1]"
1 40 CYS 0.100 0.033 1 0 "[ . 1]"
1 41 LYS 0.217 0.022 10 0 "[ . 1]"
1 42 ALA 0.039 0.014 3 0 "[ . 1]"
1 43 LEU 0.638 0.033 10 0 "[ . 1]"
1 44 ALA 0.016 0.008 9 0 "[ . 1]"
1 45 PRO 0.025 0.011 8 0 "[ . 1]"
1 46 LYS 0.020 0.006 5 0 "[ . 1]"
1 47 TYR 0.070 0.013 8 0 "[ . 1]"
1 48 GLU 0.013 0.013 10 0 "[ . 1]"
1 49 GLU 0.000 0.000 . 0 "[ . 1]"
1 50 LEU 0.206 0.015 1 0 "[ . 1]"
1 51 GLY 0.048 0.007 1 0 "[ . 1]"
1 52 ALA 0.014 0.004 1 0 "[ . 1]"
1 53 LEU 0.043 0.007 4 0 "[ . 1]"
1 54 TYR 0.118 0.012 3 0 "[ . 1]"
1 55 ALA 0.007 0.007 3 0 "[ . 1]"
1 56 LYS 0.000 0.000 . 0 "[ . 1]"
1 57 SER 0.000 0.000 . 0 "[ . 1]"
1 58 GLU 0.001 0.001 2 0 "[ . 1]"
1 59 PHE 0.010 0.004 9 0 "[ . 1]"
1 60 LYS 0.028 0.011 9 0 "[ . 1]"
1 61 ASP 0.028 0.011 9 0 "[ . 1]"
1 62 ARG 0.005 0.005 8 0 "[ . 1]"
1 63 VAL 0.120 0.016 10 0 "[ . 1]"
1 64 VAL 0.013 0.005 9 0 "[ . 1]"
1 65 ILE 0.144 0.017 10 0 "[ . 1]"
1 66 ALA 0.024 0.015 2 0 "[ . 1]"
1 67 LYS 0.084 0.023 8 0 "[ . 1]"
1 68 VAL 0.105 0.022 4 0 "[ . 1]"
1 69 ASP 0.000 0.000 . 0 "[ . 1]"
1 70 ALA 0.023 0.015 10 0 "[ . 1]"
1 71 THR 0.385 0.045 8 0 "[ . 1]"
1 72 ALA 0.000 0.000 . 0 "[ . 1]"
1 73 ASN 0.189 0.028 9 0 "[ . 1]"
1 74 ASP 0.030 0.014 8 0 "[ . 1]"
1 75 VAL 0.183 0.026 9 0 "[ . 1]"
1 76 PRO 0.282 0.025 2 0 "[ . 1]"
1 77 ASP 0.176 0.024 8 0 "[ . 1]"
1 78 GLU 0.001 0.001 2 0 "[ . 1]"
1 79 ILE 0.446 0.042 10 0 "[ . 1]"
1 80 GLN 0.000 0.000 . 0 "[ . 1]"
1 81 GLY 0.109 0.026 8 0 "[ . 1]"
1 82 PHE 19.840 1.020 10 10 [****-****+]
1 83 PRO 15.458 1.020 10 10 [****-****+]
1 84 THR 1.642 0.183 5 0 "[ . 1]"
1 85 ILE 0.020 0.010 10 0 "[ . 1]"
1 86 LYS 0.132 0.016 3 0 "[ . 1]"
1 87 LEU 0.325 0.038 10 0 "[ . 1]"
1 88 TYR 0.690 0.069 4 0 "[ . 1]"
1 89 PRO 0.022 0.014 2 0 "[ . 1]"
1 90 ALA 0.180 0.031 6 0 "[ . 1]"
1 91 GLY 0.000 0.000 . 0 "[ . 1]"
1 92 ALA 0.086 0.049 6 0 "[ . 1]"
1 93 LYS 0.417 0.049 6 0 "[ . 1]"
1 94 GLY 0.000 0.000 . 0 "[ . 1]"
1 95 GLN 0.086 0.016 4 0 "[ . 1]"
1 96 PRO 0.000 0.000 . 0 "[ . 1]"
1 97 VAL 0.010 0.006 7 0 "[ . 1]"
1 98 THR 0.023 0.007 2 0 "[ . 1]"
1 99 TYR 0.305 0.038 6 0 "[ . 1]"
1 100 SER 0.000 0.000 . 0 "[ . 1]"
1 101 GLY 0.253 0.038 6 0 "[ . 1]"
1 102 SER 0.188 0.032 8 0 "[ . 1]"
1 104 THR 0.067 0.048 8 0 "[ . 1]"
1 105 VAL 0.123 0.015 1 0 "[ . 1]"
1 106 GLU 0.047 0.027 5 0 "[ . 1]"
1 107 ASP 0.000 0.000 . 0 "[ . 1]"
1 108 LEU 0.168 0.021 2 0 "[ . 1]"
1 109 ILE 0.374 0.028 5 0 "[ . 1]"
1 110 LYS 0.166 0.021 2 0 "[ . 1]"
1 111 PHE 0.019 0.007 6 0 "[ . 1]"
1 112 ILE 0.071 0.012 5 0 "[ . 1]"
1 113 ALA 0.153 0.022 5 0 "[ . 1]"
1 114 GLU 0.000 0.000 . 0 "[ . 1]"
1 115 ASN 0.269 0.032 6 0 "[ . 1]"
1 116 GLY 0.100 0.023 3 0 "[ . 1]"
1 117 LYS 0.000 0.000 . 0 "[ . 1]"
1 118 TYR 0.065 0.016 10 0 "[ . 1]"
1 119 LYS 0.121 0.022 5 0 "[ . 1]"
1 120 ALA 0.000 0.000 . 0 "[ . 1]"
1 121 ALA 0.000 0.000 . 0 "[ . 1]"
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 1 107 ASP HA 1 110 LYS HB2 4.750 . 4.750 3.358 2.764 3.772 . 0 0 "[ . 1]" 1
2 1 107 ASP HA 1 110 LYS HB3 4.750 . 4.750 3.325 2.881 4.160 . 0 0 "[ . 1]" 1
3 1 59 PHE HA 1 59 PHE QE 4.770 . 4.770 4.640 4.528 4.774 0.004 9 0 "[ . 1]" 1
4 1 29 LEU MD1 1 65 ILE HA 4.140 . 4.140 2.822 2.222 3.016 . 0 0 "[ . 1]" 1
5 1 79 ILE HA 1 79 ILE MG 3.640 . 3.640 2.285 2.221 2.339 . 0 0 "[ . 1]" 1
6 1 79 ILE MD 1 79 ILE MG 3.460 . 3.460 1.876 1.765 1.979 0.035 10 0 "[ . 1]" 1
7 1 54 TYR HB2 1 65 ILE MG 6.000 . 6.000 4.793 4.432 5.064 . 0 0 "[ . 1]" 1
8 1 34 ALA MB 1 71 THR HA 6.000 . 6.000 5.999 5.914 6.023 0.023 10 0 "[ . 1]" 1
9 1 21 VAL MG2 1 28 VAL HB 6.000 . 6.000 5.141 4.881 5.342 . 0 0 "[ . 1]" 1
10 1 21 VAL MG2 1 93 LYS HB3 6.000 . 6.000 5.783 5.519 5.944 . 0 0 "[ . 1]" 1
11 1 17 TYR HB2 1 21 VAL MG2 4.840 . 4.840 4.223 4.139 4.397 . 0 0 "[ . 1]" 1
12 1 18 ASN HB3 1 21 VAL MG2 5.170 . 5.170 4.243 4.117 4.431 . 0 0 "[ . 1]" 1
13 1 55 ALA MB 1 65 ILE HG13 4.920 . 4.920 4.651 4.266 4.927 0.007 3 0 "[ . 1]" 1
14 1 13 VAL MG2 1 15 LYS HB3 5.590 . 5.590 4.961 4.181 5.594 0.004 2 0 "[ . 1]" 1
15 1 43 LEU HA 1 43 LEU MD1 3.880 . 3.880 2.516 2.110 3.793 . 0 0 "[ . 1]" 1
16 1 13 VAL MG1 1 15 LYS HB2 5.590 . 5.590 3.155 2.578 3.892 . 0 0 "[ . 1]" 1
17 1 25 THR HA 1 90 ALA MB 4.240 . 4.240 3.255 2.594 3.725 . 0 0 "[ . 1]" 1
18 1 25 THR HA 1 25 THR MG 3.320 . 3.320 2.545 2.117 3.225 . 0 0 "[ . 1]" 1
19 1 97 VAL HA 1 97 VAL MG1 3.590 . 3.590 2.352 2.242 2.403 . 0 0 "[ . 1]" 1
20 1 97 VAL MG1 1 111 PHE QE 4.360 . 4.360 3.696 3.189 4.174 . 0 0 "[ . 1]" 1
21 1 87 LEU HA 1 87 LEU MD1 3.820 . 3.820 2.171 2.018 2.336 . 0 0 "[ . 1]" 1
22 1 29 LEU HA 1 87 LEU MD1 4.580 . 4.580 3.582 3.259 3.729 . 0 0 "[ . 1]" 1
23 1 87 LEU MD1 1 112 ILE HA 5.060 . 5.060 3.077 2.873 3.316 . 0 0 "[ . 1]" 1
24 1 50 LEU MD1 1 51 GLY HA2 4.440 . 4.440 4.443 4.437 4.447 0.007 1 0 "[ . 1]" 1
25 1 50 LEU MD1 1 109 ILE MG 3.910 . 3.910 3.485 3.328 3.622 . 0 0 "[ . 1]" 1
26 1 109 ILE MG 1 110 LYS HA 4.050 . 4.050 3.215 3.171 3.275 . 0 0 "[ . 1]" 1
27 1 50 LEU MD1 1 105 VAL MG1 6.000 . 6.000 3.685 3.513 4.011 . 0 0 "[ . 1]" 1
28 1 54 TYR QE 1 63 VAL MG1 4.800 . 4.800 2.447 1.935 3.307 . 0 0 "[ . 1]" 1
29 1 21 VAL MG2 1 22 LEU MD2 3.640 . 3.640 3.022 2.927 3.086 . 0 0 "[ . 1]" 1
30 1 21 VAL MG2 1 22 LEU HG 4.470 . 4.470 2.261 2.133 2.361 . 0 0 "[ . 1]" 1
31 1 34 ALA MB 1 71 THR MG 3.560 . 3.560 3.201 2.974 3.473 . 0 0 "[ . 1]" 1
32 1 21 VAL MG2 1 30 ILE MG 4.860 . 4.860 4.575 4.335 4.777 . 0 0 "[ . 1]" 1
33 1 29 LEU MD1 1 54 TYR QE 4.350 . 4.350 3.725 3.382 4.183 . 0 0 "[ . 1]" 1
34 1 39 HIS HA 1 39 HIS HD2 5.140 . 5.140 3.516 2.056 4.639 . 0 0 "[ . 1]" 1
35 1 68 VAL MG1 1 70 ALA HA 4.670 . 4.670 4.462 4.253 4.629 . 0 0 "[ . 1]" 1
36 1 68 VAL MG2 1 70 ALA HA 5.070 . 5.070 4.200 4.105 4.334 . 0 0 "[ . 1]" 1
37 1 32 PHE QD 1 70 ALA HA 4.870 . 4.870 1.989 1.957 2.027 . 0 0 "[ . 1]" 1
38 1 50 LEU HA 1 50 LEU MD2 4.120 . 4.120 3.925 3.869 3.951 . 0 0 "[ . 1]" 1
39 1 50 LEU HG 1 54 TYR HB2 3.770 . 3.770 3.000 2.801 3.143 . 0 0 "[ . 1]" 1
40 1 120 ALA MB 1 121 ALA MB 4.500 . 4.500 3.820 3.116 4.470 . 0 0 "[ . 1]" 1
41 1 85 ILE MG 1 99 TYR HB2 4.200 . 4.200 3.774 3.523 4.207 0.007 8 0 "[ . 1]" 1
42 1 119 LYS HA 1 120 ALA MB 5.160 . 5.160 4.380 3.734 4.888 . 0 0 "[ . 1]" 1
43 1 12 VAL MG1 1 13 VAL HB 5.830 . 5.830 5.415 5.184 5.742 . 0 0 "[ . 1]" 1
44 1 99 TYR HH 1 108 LEU HG 5.610 . 5.610 4.608 3.780 5.253 . 0 0 "[ . 1]" 1
45 1 16 ASN HB3 1 17 TYR HB3 4.350 . 4.350 4.302 4.156 4.364 0.014 8 0 "[ . 1]" 1
46 1 104 THR MG 1 105 VAL MG2 2.910 . 2.910 2.511 2.214 2.910 0.000 8 0 "[ . 1]" 1
47 1 12 VAL MG1 1 30 ILE HB 3.370 . 3.370 2.686 2.439 2.844 . 0 0 "[ . 1]" 1
48 1 50 LEU HB2 1 105 VAL MG2 3.520 . 3.520 2.422 2.185 2.687 . 0 0 "[ . 1]" 1
49 1 79 ILE MD 1 84 THR HB 4.200 . 4.200 3.348 3.140 3.526 . 0 0 "[ . 1]" 1
50 1 70 ALA MB 1 79 ILE MD 4.240 . 4.240 3.705 3.377 4.074 . 0 0 "[ . 1]" 1
51 1 50 LEU MD1 1 65 ILE MD 3.570 . 3.570 3.265 2.989 3.570 . 0 0 "[ . 1]" 1
52 1 20 ILE MD 1 30 ILE MG 4.380 . 4.380 4.197 3.955 4.386 0.006 3 0 "[ . 1]" 1
53 1 109 ILE MD 1 110 LYS HA 4.490 . 4.490 4.316 2.588 4.511 0.021 2 0 "[ . 1]" 1
54 1 30 ILE MD 1 30 ILE MG 3.320 . 3.320 2.049 1.949 2.129 . 0 0 "[ . 1]" 1
55 1 65 ILE MD 1 112 ILE MD 3.560 . 3.560 3.279 2.893 3.495 . 0 0 "[ . 1]" 1
56 1 44 ALA MB 1 45 PRO HD3 3.500 . 3.500 2.001 1.941 2.093 . 0 0 "[ . 1]" 1
57 1 70 ALA MB 1 71 THR MG 4.130 . 4.130 3.387 3.312 3.483 . 0 0 "[ . 1]" 1
58 1 68 VAL MG1 1 70 ALA MB 5.010 . 5.010 4.690 4.527 4.831 . 0 0 "[ . 1]" 1
59 1 32 PHE HB3 1 70 ALA MB 4.520 . 4.520 1.997 1.849 2.196 . 0 0 "[ . 1]" 1
60 1 11 VAL HA 1 11 VAL MG2 3.630 . 3.630 2.350 2.243 2.492 . 0 0 "[ . 1]" 1
61 1 105 VAL HA 1 105 VAL MG2 3.730 . 3.730 3.191 3.180 3.202 . 0 0 "[ . 1]" 1
62 1 50 LEU MD1 1 53 LEU HB3 3.790 . 3.790 3.511 2.996 3.748 . 0 0 "[ . 1]" 1
63 1 22 LEU HB2 1 22 LEU MD2 3.640 . 3.640 3.189 3.182 3.197 . 0 0 "[ . 1]" 1
64 1 108 LEU HG 1 112 ILE MD 4.520 . 4.520 2.489 1.828 3.899 . 0 0 "[ . 1]" 1
65 1 33 TYR HB2 1 37 CYS HB2 5.050 . 5.050 4.929 4.484 5.058 0.008 8 0 "[ . 1]" 1
66 1 33 TYR HB2 1 43 LEU HB2 4.330 . 4.330 3.608 3.167 3.946 . 0 0 "[ . 1]" 1
67 1 86 LYS HE2 1 98 THR MG 4.510 . 4.510 3.315 2.025 4.451 . 0 0 "[ . 1]" 1
68 1 32 PHE HB3 1 79 ILE MD 4.980 . 4.980 4.488 4.221 4.834 . 0 0 "[ . 1]" 1
69 1 32 PHE HB2 1 79 ILE MD 4.980 . 4.980 4.362 4.024 4.568 . 0 0 "[ . 1]" 1
70 1 65 ILE HA 1 65 ILE MD 3.800 . 3.800 2.144 2.006 2.342 . 0 0 "[ . 1]" 1
71 1 51 GLY HA2 1 65 ILE MD 4.880 . 4.880 3.721 3.644 3.834 . 0 0 "[ . 1]" 1
72 1 20 ILE HA 1 20 ILE MD 4.240 . 4.240 4.159 4.152 4.165 . 0 0 "[ . 1]" 1
73 1 16 ASN HB2 1 20 ILE MD 5.030 . 5.030 5.016 4.844 5.044 0.014 4 0 "[ . 1]" 1
74 1 30 ILE HA 1 30 ILE MD 4.140 . 4.140 3.829 3.804 3.851 . 0 0 "[ . 1]" 1
75 1 17 TYR QE 1 30 ILE MD 4.920 . 4.920 4.619 4.240 4.942 0.022 9 0 "[ . 1]" 1
76 1 30 ILE MD 1 67 LYS HA 5.750 . 5.750 5.608 5.405 5.668 . 0 0 "[ . 1]" 1
77 1 29 LEU MD1 1 65 ILE MG 3.840 . 3.840 3.293 2.856 3.488 . 0 0 "[ . 1]" 1
78 1 28 VAL MG1 1 29 LEU HG 4.210 . 4.210 4.130 3.963 4.219 0.009 8 0 "[ . 1]" 1
79 1 10 THR HB 1 66 ALA MB 3.910 . 3.910 2.405 2.069 2.671 . 0 0 "[ . 1]" 1
80 1 69 ASP HA 1 71 THR MG 4.280 . 4.280 4.167 4.091 4.206 . 0 0 "[ . 1]" 1
81 1 64 VAL HA 1 64 VAL MG2 3.570 . 3.570 2.316 2.241 2.509 . 0 0 "[ . 1]" 1
82 1 50 LEU HA 1 50 LEU MD1 3.530 . 3.530 2.287 2.085 2.391 . 0 0 "[ . 1]" 1
83 1 13 VAL HA 1 13 VAL MG1 3.730 . 3.730 2.777 2.101 3.206 . 0 0 "[ . 1]" 1
84 1 17 TYR HA 1 20 ILE HG13 4.320 . 4.320 2.913 2.843 2.959 . 0 0 "[ . 1]" 1
85 1 17 TYR HA 1 18 ASN HD21 4.640 . 4.640 4.619 4.560 4.667 0.027 3 0 "[ . 1]" 1
86 1 106 GLU HA 1 109 ILE MD 4.280 . 4.280 4.266 4.160 4.307 0.027 5 0 "[ . 1]" 1
87 1 20 ILE HA 1 20 ILE HG12 4.180 . 4.180 3.666 3.650 3.685 . 0 0 "[ . 1]" 1
88 1 106 GLU HG3 1 107 ASP HA 3.930 . 3.930 3.595 3.462 3.799 . 0 0 "[ . 1]" 1
89 1 30 ILE HA 1 30 ILE HG13 4.000 . 4.000 2.526 2.486 2.566 . 0 0 "[ . 1]" 1
90 1 113 ALA HA 1 119 LYS HA 4.600 . 4.600 4.402 3.659 4.607 0.007 7 0 "[ . 1]" 1
91 1 31 GLU HA 1 84 THR MG 4.460 . 4.460 3.765 3.270 4.316 . 0 0 "[ . 1]" 1
92 1 31 GLU HA 1 85 ILE MG 4.300 . 4.300 3.564 3.215 3.827 . 0 0 "[ . 1]" 1
93 1 34 ALA MB 1 35 PRO HD3 4.740 . 4.740 3.447 3.338 3.512 . 0 0 "[ . 1]" 1
94 1 34 ALA HA 1 71 THR MG 4.540 . 4.540 4.083 3.853 4.405 . 0 0 "[ . 1]" 1
95 1 87 LEU HB3 1 97 VAL MG1 5.150 . 5.150 3.072 2.649 3.438 . 0 0 "[ . 1]" 1
96 1 43 LEU MD1 1 83 PRO HB2 5.660 . 5.660 4.902 3.685 5.678 0.018 6 0 "[ . 1]" 1
97 1 49 GLU HA 1 52 ALA MB 3.950 . 3.950 3.257 2.898 3.731 . 0 0 "[ . 1]" 1
98 1 68 VAL HA 1 68 VAL MG2 3.670 . 3.670 2.339 2.266 2.381 . 0 0 "[ . 1]" 1
99 1 84 THR MG 1 85 ILE HA 4.790 . 4.790 3.383 3.287 3.644 . 0 0 "[ . 1]" 1
100 1 29 LEU HA 1 87 LEU MD2 4.580 . 4.580 3.121 2.928 3.257 . 0 0 "[ . 1]" 1
101 1 17 TYR QE 1 21 VAL MG1 4.490 . 4.490 3.208 3.025 3.271 . 0 0 "[ . 1]" 1
102 1 79 ILE MD 1 84 THR MG 3.990 . 3.990 3.066 2.653 3.435 . 0 0 "[ . 1]" 1
103 1 30 ILE MG 1 32 PHE QD 4.090 . 4.090 3.809 3.660 4.008 . 0 0 "[ . 1]" 1
104 1 39 HIS HA 1 42 ALA MB 4.410 . 4.410 4.402 4.366 4.424 0.014 3 0 "[ . 1]" 1
105 1 32 PHE QD 1 84 THR MG 4.030 . 4.030 2.134 1.798 2.495 0.002 10 0 "[ . 1]" 1
106 1 18 ASN HA 1 21 VAL MG2 4.830 . 4.830 2.177 2.035 2.371 . 0 0 "[ . 1]" 1
107 1 43 LEU HB3 1 44 ALA HA 4.610 . 4.610 3.915 3.891 3.980 . 0 0 "[ . 1]" 1
108 1 53 LEU HB3 1 54 TYR HA 4.920 . 4.920 3.804 3.739 3.844 . 0 0 "[ . 1]" 1
109 1 14 ALA MB 1 72 ALA MB 4.050 . 4.050 3.183 2.663 3.657 . 0 0 "[ . 1]" 1
110 1 32 PHE HB2 1 70 ALA MB 4.520 . 4.520 3.402 3.243 3.596 . 0 0 "[ . 1]" 1
111 1 70 ALA MB 1 79 ILE MG 5.690 . 5.690 5.431 5.109 5.705 0.015 10 0 "[ . 1]" 1
112 1 14 ALA MB 1 75 VAL MG1 5.200 . 5.200 4.326 3.571 5.032 . 0 0 "[ . 1]" 1
113 1 14 ALA MB 1 73 ASN HB2 4.260 . 4.260 3.547 2.887 3.935 . 0 0 "[ . 1]" 1
114 1 32 PHE HA 1 70 ALA MB 4.700 . 4.700 3.775 3.438 3.966 . 0 0 "[ . 1]" 1
115 1 32 PHE HA 1 68 VAL MG2 4.630 . 4.630 4.158 3.952 4.294 . 0 0 "[ . 1]" 1
116 1 89 PRO HD3 1 93 LYS HB3 5.310 . 5.310 5.096 4.830 5.243 . 0 0 "[ . 1]" 1
117 1 24 ASP HA 1 90 ALA HA 4.590 . 4.590 2.281 2.021 2.525 . 0 0 "[ . 1]" 1
118 1 8 PRO HB2 1 52 ALA HA 4.490 . 4.490 3.456 2.712 4.108 . 0 0 "[ . 1]" 1
119 1 10 THR HB 1 11 VAL HA 5.320 . 5.320 5.026 4.855 5.180 . 0 0 "[ . 1]" 1
120 1 69 ASP HA 1 70 ALA HA 4.830 . 4.830 4.340 4.332 4.351 . 0 0 "[ . 1]" 1
121 1 84 THR MG 1 86 LYS HE3 5.030 . 5.030 3.936 3.057 4.823 . 0 0 "[ . 1]" 1
122 1 10 THR MG 1 12 VAL MG2 3.790 . 3.790 3.234 3.011 3.710 . 0 0 "[ . 1]" 1
123 1 20 ILE HG13 1 28 VAL MG1 3.470 . 3.470 2.407 1.988 2.808 . 0 0 "[ . 1]" 1
124 1 65 ILE MD 1 112 ILE MG 5.120 . 5.120 4.641 4.049 5.080 . 0 0 "[ . 1]" 1
125 1 87 LEU HG 1 112 ILE MG 5.450 . 5.450 4.072 3.691 4.619 . 0 0 "[ . 1]" 1
126 1 20 ILE MG 1 21 VAL MG1 4.620 . 4.620 4.459 4.395 4.550 . 0 0 "[ . 1]" 1
127 1 20 ILE MD 1 30 ILE MD 5.310 . 5.310 3.552 3.288 3.897 . 0 0 "[ . 1]" 1
128 1 43 LEU HB3 1 44 ALA MB 4.550 . 4.550 4.236 4.171 4.305 . 0 0 "[ . 1]" 1
129 1 44 ALA MB 1 45 PRO HG2 4.240 . 4.240 4.188 4.152 4.217 . 0 0 "[ . 1]" 1
130 1 87 LEU HG 1 111 PHE HB3 4.720 . 4.720 4.359 3.842 4.606 . 0 0 "[ . 1]" 1
131 1 28 VAL HB 1 29 LEU HG 5.670 . 5.670 5.390 5.160 5.591 . 0 0 "[ . 1]" 1
132 1 85 ILE HB 1 99 TYR HB3 4.410 . 4.410 3.450 3.209 3.763 . 0 0 "[ . 1]" 1
133 1 50 LEU HB3 1 65 ILE MG 4.950 . 4.950 3.668 3.478 3.846 . 0 0 "[ . 1]" 1
134 1 50 LEU HB3 1 65 ILE MD 5.720 . 5.720 4.370 4.035 4.644 . 0 0 "[ . 1]" 1
135 1 51 GLY HA3 1 65 ILE MG 4.520 . 4.520 3.237 3.031 3.610 . 0 0 "[ . 1]" 1
136 1 113 ALA MB 1 119 LYS HA 4.320 . 4.320 4.296 3.973 4.342 0.022 5 0 "[ . 1]" 1
137 1 14 ALA MB 1 73 ASN HA 4.770 . 4.770 4.510 4.094 4.777 0.007 7 0 "[ . 1]" 1
138 1 26 LYS HA 1 90 ALA MB 4.480 . 4.480 2.951 2.587 3.276 . 0 0 "[ . 1]" 1
139 1 109 ILE HA 1 112 ILE MG 4.650 . 4.650 4.234 4.098 4.589 . 0 0 "[ . 1]" 1
140 1 112 ILE MG 1 116 GLY HA2 5.220 . 5.220 4.085 3.727 4.391 . 0 0 "[ . 1]" 1
141 1 112 ILE MG 1 113 ALA HA 4.530 . 4.530 3.694 3.453 3.847 . 0 0 "[ . 1]" 1
142 1 90 ALA MB 1 118 TYR QD 4.380 . 4.380 3.059 2.333 3.851 . 0 0 "[ . 1]" 1
143 1 85 ILE HA 1 85 ILE MD 4.530 . 4.530 3.785 3.437 3.932 . 0 0 "[ . 1]" 1
144 1 85 ILE MD 1 99 TYR HB2 4.680 . 4.680 2.395 1.843 3.238 . 0 0 "[ . 1]" 1
145 1 51 GLY HA3 1 52 ALA MB 5.690 . 5.690 4.315 4.253 4.387 . 0 0 "[ . 1]" 1
146 1 51 GLY HA3 1 55 ALA MB 6.000 . 6.000 4.317 4.223 4.483 . 0 0 "[ . 1]" 1
147 1 30 ILE HA 1 31 GLU HB2 5.140 . 5.140 4.396 4.250 4.578 . 0 0 "[ . 1]" 1
148 1 30 ILE HA 1 68 VAL HB 5.750 . 5.750 5.172 4.829 5.405 . 0 0 "[ . 1]" 1
149 1 99 TYR HH 1 108 LEU HA 4.800 . 4.800 4.185 3.414 4.809 0.009 8 0 "[ . 1]" 1
150 1 20 ILE HG13 1 21 VAL HA 5.350 . 5.350 3.412 3.384 3.482 . 0 0 "[ . 1]" 1
151 1 17 TYR HA 1 20 ILE HB 4.920 . 4.920 4.773 4.689 4.802 . 0 0 "[ . 1]" 1
152 1 104 THR HA 1 105 VAL MG2 3.950 . 3.950 3.868 3.788 3.960 0.010 3 0 "[ . 1]" 1
153 1 17 TYR HB3 1 18 ASN HA 5.670 . 5.670 5.294 5.262 5.329 . 0 0 "[ . 1]" 1
154 1 29 LEU HB2 1 31 GLU HB2 5.770 . 5.770 5.212 4.849 5.580 . 0 0 "[ . 1]" 1
155 1 60 LYS HA 1 61 ASP HA 4.680 . 4.680 4.619 4.574 4.691 0.011 9 0 "[ . 1]" 1
156 1 18 ASN HA 1 19 GLU HA 4.800 . 4.800 4.716 4.679 4.733 . 0 0 "[ . 1]" 1
157 1 112 ILE HA 1 115 ASN HA 6.000 . 6.000 5.678 5.323 5.884 . 0 0 "[ . 1]" 1
158 1 43 LEU HG 1 83 PRO HG3 6.000 . 6.000 5.447 5.113 5.746 . 0 0 "[ . 1]" 1
159 1 43 LEU HG 1 83 PRO HG2 6.000 . 6.000 6.000 5.919 6.012 0.012 5 0 "[ . 1]" 1
160 1 87 LEU HB2 1 97 VAL MG1 3.860 . 3.860 2.747 2.532 2.868 . 0 0 "[ . 1]" 1
161 1 8 PRO HG3 1 52 ALA MB 3.320 . 3.320 2.872 2.236 3.324 0.004 1 0 "[ . 1]" 1
162 1 30 ILE MD 1 68 VAL MG2 3.060 . 3.060 2.984 2.546 3.082 0.022 4 0 "[ . 1]" 1
163 1 14 ALA MB 1 75 VAL MG2 5.200 . 5.200 3.899 2.679 4.864 . 0 0 "[ . 1]" 1
164 1 112 ILE HA 1 112 ILE MD 4.800 . 4.800 3.897 3.884 3.912 . 0 0 "[ . 1]" 1
165 1 54 TYR QE 1 109 ILE MG 4.720 . 4.720 4.467 4.047 4.705 . 0 0 "[ . 1]" 1
166 1 30 ILE MG 1 32 PHE HZ 4.470 . 4.470 4.469 4.398 4.480 0.010 3 0 "[ . 1]" 1
167 1 70 ALA MB 1 84 THR HB 4.940 . 4.940 4.227 3.820 4.523 . 0 0 "[ . 1]" 1
168 1 18 ASN HA 1 21 VAL MG1 5.130 . 5.130 3.903 3.689 4.102 . 0 0 "[ . 1]" 1
169 1 12 VAL HA 1 21 VAL MG1 6.000 . 6.000 6.044 6.031 6.058 0.058 9 0 "[ . 1]" 1
170 1 20 ILE HB 1 21 VAL MG1 4.300 . 4.300 4.046 3.982 4.156 . 0 0 "[ . 1]" 1
171 1 87 LEU HG 1 89 PRO HD3 5.280 . 5.280 4.840 4.606 5.036 . 0 0 "[ . 1]" 1
172 1 54 TYR QE 1 59 PHE HB2 5.270 . 5.270 3.870 2.025 4.750 . 0 0 "[ . 1]" 1
173 1 99 TYR HH 1 111 PHE HB2 5.730 . 5.730 3.490 3.009 4.355 . 0 0 "[ . 1]" 1
174 1 111 PHE HB2 1 115 ASN HD21 5.230 . 5.230 4.746 4.324 4.996 . 0 0 "[ . 1]" 1
175 1 29 LEU HB3 1 31 GLU HB2 5.770 . 5.770 5.327 5.047 5.541 . 0 0 "[ . 1]" 1
176 1 17 TYR QE 1 76 PRO HD2 5.230 . 5.230 4.072 3.959 4.312 . 0 0 "[ . 1]" 1
177 1 120 ALA HA 1 121 ALA HA 5.240 . 5.240 4.420 4.311 4.577 . 0 0 "[ . 1]" 1
178 1 70 ALA MB 1 82 PHE HA 5.670 . 5.670 4.186 3.912 4.595 . 0 0 "[ . 1]" 1
179 1 79 ILE HB 1 84 THR HB 5.790 . 5.790 4.635 4.011 5.395 . 0 0 "[ . 1]" 1
180 1 27 ASP HA 1 89 PRO HA 4.010 . 4.010 3.355 2.970 3.644 . 0 0 "[ . 1]" 1
181 1 21 VAL HA 1 88 TYR HA 5.270 . 5.270 5.296 5.285 5.339 0.069 4 0 "[ . 1]" 1
182 1 8 PRO HB3 1 52 ALA MB 4.050 . 4.050 3.221 2.462 3.812 . 0 0 "[ . 1]" 1
183 1 29 LEU MD1 1 65 ILE HB 4.900 . 4.900 4.831 4.452 4.910 0.010 6 0 "[ . 1]" 1
184 1 50 LEU HG 1 65 ILE HB 4.870 . 4.870 4.830 4.632 4.878 0.008 8 0 "[ . 1]" 1
185 1 16 ASN HB3 1 20 ILE MD 4.670 . 4.670 3.451 3.268 3.484 . 0 0 "[ . 1]" 1
186 1 19 GLU HA 1 20 ILE HA 6.000 . 6.000 4.787 4.746 4.801 . 0 0 "[ . 1]" 1
187 1 14 ALA MB 1 15 LYS HA 4.010 . 4.010 3.826 3.799 3.890 . 0 0 "[ . 1]" 1
188 1 13 VAL HA 1 13 VAL MG2 3.730 . 3.730 2.396 2.281 2.611 . 0 0 "[ . 1]" 1
189 1 29 LEU MD1 1 112 ILE MG 3.710 . 3.710 2.764 2.371 3.593 . 0 0 "[ . 1]" 1
190 1 12 VAL MG1 1 30 ILE HG13 3.420 . 3.420 2.637 2.342 2.879 . 0 0 "[ . 1]" 1
191 1 54 TYR QE 1 65 ILE MD 4.800 . 4.800 3.674 3.472 3.942 . 0 0 "[ . 1]" 1
192 1 54 TYR QD 1 65 ILE MD 4.100 . 4.100 2.515 2.350 2.760 . 0 0 "[ . 1]" 1
193 1 21 VAL MG1 1 28 VAL MG2 4.170 . 4.170 3.867 3.504 4.113 . 0 0 "[ . 1]" 1
194 1 35 PRO HD2 1 71 THR MG 4.640 . 4.640 3.972 3.601 4.428 . 0 0 "[ . 1]" 1
195 1 8 PRO HB2 1 9 VAL HA 4.740 . 4.740 4.069 3.901 4.378 . 0 0 "[ . 1]" 1
196 1 29 LEU HA 1 87 LEU HA 3.630 . 3.630 3.113 3.039 3.209 . 0 0 "[ . 1]" 1
197 1 16 ASN HA 1 19 GLU HB3 5.120 . 5.120 3.816 3.418 4.662 . 0 0 "[ . 1]" 1
198 1 82 PHE HA 1 83 PRO HA 3.580 . 3.580 4.537 4.493 4.600 1.020 10 10 [****-****+] 1
199 1 31 GLU HA 1 85 ILE HA 3.770 . 3.770 2.567 2.458 2.635 . 0 0 "[ . 1]" 1
200 1 85 ILE HA 1 85 ILE MG 3.400 . 3.400 2.231 2.110 2.308 . 0 0 "[ . 1]" 1
201 1 27 ASP HB2 1 63 VAL HA 4.740 . 4.740 2.861 2.284 3.766 . 0 0 "[ . 1]" 1
202 1 30 ILE HA 1 67 LYS HA 5.560 . 5.560 3.980 3.728 4.182 . 0 0 "[ . 1]" 1
203 1 33 TYR HA 1 82 PHE QD 4.400 . 4.400 3.576 3.262 3.770 . 0 0 "[ . 1]" 1
204 1 32 PHE HB2 1 84 THR HB 4.320 . 4.320 2.452 1.937 2.798 . 0 0 "[ . 1]" 1
205 1 32 PHE QD 1 84 THR HB 4.200 . 4.200 3.911 3.450 4.203 0.003 8 0 "[ . 1]" 1
206 1 79 ILE MG 1 84 THR HB 4.330 . 4.330 3.432 3.180 3.771 . 0 0 "[ . 1]" 1
207 1 105 VAL HA 1 108 LEU HB3 4.000 . 4.000 2.899 2.571 3.269 . 0 0 "[ . 1]" 1
208 1 87 LEU HG 1 112 ILE HA 3.980 . 3.980 3.416 3.138 3.826 . 0 0 "[ . 1]" 1
209 1 112 ILE HA 1 112 ILE MG 3.220 . 3.220 2.340 2.262 2.391 . 0 0 "[ . 1]" 1
210 1 109 ILE HA 1 109 ILE MG 3.360 . 3.360 3.198 3.196 3.201 . 0 0 "[ . 1]" 1
211 1 54 TYR QE 1 109 ILE HA 4.710 . 4.710 4.024 2.187 4.716 0.006 8 0 "[ . 1]" 1
212 1 64 VAL HA 1 64 VAL MG1 3.570 . 3.570 3.116 2.377 3.205 . 0 0 "[ . 1]" 1
213 1 12 VAL MG1 1 17 TYR HA 3.580 . 3.580 2.050 1.936 2.251 . 0 0 "[ . 1]" 1
214 1 41 LYS HA 1 44 ALA MB 3.670 . 3.670 3.330 3.080 3.672 0.002 8 0 "[ . 1]" 1
215 1 41 LYS HA 1 43 LEU HB2 5.290 . 5.290 5.191 4.881 5.294 0.004 4 0 "[ . 1]" 1
216 1 87 LEU HB2 1 99 TYR QD 4.580 . 4.580 3.884 3.637 4.125 . 0 0 "[ . 1]" 1
217 1 87 LEU HB3 1 97 VAL HB 4.580 . 4.580 2.341 2.086 2.697 . 0 0 "[ . 1]" 1
218 1 21 VAL HA 1 28 VAL MG2 3.770 . 3.770 3.060 2.368 3.409 . 0 0 "[ . 1]" 1
219 1 97 VAL MG2 1 99 TYR QE 5.270 . 5.270 4.698 4.014 5.272 0.002 3 0 "[ . 1]" 1
220 1 21 VAL HA 1 28 VAL MG1 4.050 . 4.050 3.533 3.109 3.912 . 0 0 "[ . 1]" 1
221 1 10 THR MG 1 11 VAL HA 4.400 . 4.400 4.117 3.978 4.264 . 0 0 "[ . 1]" 1
222 1 10 THR MG 1 20 ILE MD 3.840 . 3.840 3.475 3.191 3.723 . 0 0 "[ . 1]" 1
223 1 97 VAL MG1 1 99 TYR QD 3.640 . 3.640 3.074 2.794 3.570 . 0 0 "[ . 1]" 1
224 1 30 ILE HG13 1 66 ALA MB 3.540 . 3.540 3.395 3.155 3.543 0.003 2 0 "[ . 1]" 1
225 1 30 ILE HG13 1 32 PHE QD 5.560 . 5.560 5.302 5.181 5.376 . 0 0 "[ . 1]" 1
226 1 51 GLY HA2 1 65 ILE HG12 5.060 . 5.060 3.182 3.115 3.263 . 0 0 "[ . 1]" 1
227 1 109 ILE MD 1 109 ILE MG 3.180 . 3.180 1.968 1.772 2.062 0.028 5 0 "[ . 1]" 1
228 1 29 LEU HG 1 112 ILE MD 4.240 . 4.240 4.070 3.891 4.245 0.005 7 0 "[ . 1]" 1
229 1 108 LEU HA 1 112 ILE MD 4.350 . 4.350 3.814 3.581 4.244 . 0 0 "[ . 1]" 1
230 1 54 TYR QE 1 112 ILE MD 4.590 . 4.590 3.377 2.572 3.950 . 0 0 "[ . 1]" 1
231 1 108 LEU HB3 1 112 ILE MD 3.870 . 3.870 3.372 2.918 3.699 . 0 0 "[ . 1]" 1
232 1 54 TYR QD 1 112 ILE MD 5.590 . 5.590 4.392 3.918 4.840 . 0 0 "[ . 1]" 1
233 1 43 LEU MD2 1 83 PRO HB2 5.660 . 5.660 3.930 3.029 5.693 0.033 10 0 "[ . 1]" 1
234 1 20 ILE MD 1 28 VAL MG1 3.630 . 3.630 2.225 2.030 2.442 . 0 0 "[ . 1]" 1
235 1 54 TYR QD 1 63 VAL MG1 4.300 . 4.300 2.746 1.932 4.004 . 0 0 "[ . 1]" 1
236 1 34 ALA MB 1 35 PRO HD2 4.250 . 4.250 2.328 2.107 2.458 . 0 0 "[ . 1]" 1
237 1 32 PHE HA 1 68 VAL MG1 3.500 . 3.500 2.442 2.102 2.601 . 0 0 "[ . 1]" 1
238 1 30 ILE HG13 1 67 LYS HA 4.450 . 4.450 4.415 4.176 4.462 0.012 5 0 "[ . 1]" 1
239 1 65 ILE MG 1 67 LYS HA 4.950 . 4.950 4.700 4.542 4.913 . 0 0 "[ . 1]" 1
240 1 97 VAL HB 1 99 TYR QD 4.730 . 4.730 4.176 3.710 4.565 . 0 0 "[ . 1]" 1
241 1 70 ALA MB 1 82 PHE QD 3.460 . 3.460 2.561 2.336 3.018 . 0 0 "[ . 1]" 1
242 1 65 ILE HG13 1 65 ILE MG 3.660 . 3.660 2.372 2.307 2.462 . 0 0 "[ . 1]" 1
243 1 87 LEU MD2 1 99 TYR QE 4.510 . 4.510 2.449 1.975 2.888 . 0 0 "[ . 1]" 1
244 1 88 TYR QD 1 93 LYS HA 4.110 . 4.110 3.186 2.710 3.612 . 0 0 "[ . 1]" 1
245 1 52 ALA HA 1 56 LYS H 4.970 . 4.970 4.237 4.071 4.518 . 0 0 "[ . 1]" 1
246 1 17 TYR QD 1 18 ASN HA 4.020 . 4.020 3.534 3.257 3.763 . 0 0 "[ . 1]" 1
247 1 18 ASN HA 1 22 LEU MD1 3.850 . 3.850 3.434 3.199 3.572 . 0 0 "[ . 1]" 1
248 1 52 ALA HA 1 53 LEU HB2 6.000 . 6.000 5.552 5.516 5.576 . 0 0 "[ . 1]" 1
249 1 12 VAL MG2 1 30 ILE MD 4.770 . 4.770 3.072 2.861 3.282 . 0 0 "[ . 1]" 1
250 1 43 LEU MD2 1 47 TYR QD 4.230 . 4.230 3.777 2.027 4.236 0.006 2 0 "[ . 1]" 1
251 1 106 GLU HA 1 109 ILE HB 4.370 . 4.370 4.170 3.865 4.309 . 0 0 "[ . 1]" 1
252 1 17 TYR QD 1 21 VAL HB 5.030 . 5.030 4.007 3.968 4.081 . 0 0 "[ . 1]" 1
253 1 50 LEU MD1 1 105 VAL HB 3.340 . 3.340 2.902 2.694 3.163 . 0 0 "[ . 1]" 1
254 1 47 TYR QD 1 65 ILE MG 4.540 . 4.540 2.207 2.017 2.413 . 0 0 "[ . 1]" 1
255 1 30 ILE MG 1 88 TYR QD 3.930 . 3.930 2.908 2.720 3.341 . 0 0 "[ . 1]" 1
256 1 10 THR MG 1 20 ILE MG 3.690 . 3.690 3.507 3.168 3.703 0.013 3 0 "[ . 1]" 1
257 1 32 PHE QD 1 79 ILE MD 4.820 . 4.820 4.657 4.365 4.862 0.042 10 0 "[ . 1]" 1
258 1 79 ILE HB 1 84 THR MG 4.760 . 4.760 4.282 3.626 4.795 0.035 10 0 "[ . 1]" 1
259 1 16 ASN HB3 1 18 ASN HD21 5.150 . 5.150 5.055 5.009 5.122 . 0 0 "[ . 1]" 1
260 1 110 LYS HA 1 113 ALA MB 3.730 . 3.730 3.023 2.708 3.282 . 0 0 "[ . 1]" 1
261 1 79 ILE HA 1 79 ILE MD 3.640 . 3.640 3.475 3.356 3.626 . 0 0 "[ . 1]" 1
262 1 12 VAL HA 1 30 ILE HG13 5.760 . 5.760 5.359 5.217 5.546 . 0 0 "[ . 1]" 1
263 1 16 ASN HB3 1 17 TYR HA 4.160 . 4.160 3.769 3.737 3.837 . 0 0 "[ . 1]" 1
264 1 20 ILE HA 1 20 ILE HG13 4.090 . 4.090 3.777 3.749 3.799 . 0 0 "[ . 1]" 1
265 1 20 ILE HA 1 20 ILE MG 3.640 . 3.640 2.240 2.152 2.319 . 0 0 "[ . 1]" 1
266 1 43 LEU HA 1 45 PRO HG2 4.920 . 4.920 4.896 4.846 4.931 0.011 8 0 "[ . 1]" 1
267 1 17 TYR HA 1 28 VAL MG2 6.000 . 6.000 5.811 5.543 6.002 0.002 6 0 "[ . 1]" 1
268 1 17 TYR HA 1 30 ILE HG13 6.000 . 6.000 5.780 5.656 5.932 . 0 0 "[ . 1]" 1
269 1 87 LEU HA 1 87 LEU MD2 3.820 . 3.820 2.080 1.944 2.212 . 0 0 "[ . 1]" 1
270 1 51 GLY HA2 1 55 ALA MB 5.260 . 5.260 3.832 3.714 4.021 . 0 0 "[ . 1]" 1
271 1 53 LEU HB3 1 54 TYR HB3 5.530 . 5.530 5.505 5.321 5.537 0.007 4 0 "[ . 1]" 1
272 1 85 ILE MD 1 99 TYR HB3 4.750 . 4.750 2.567 2.248 3.198 . 0 0 "[ . 1]" 1
273 1 50 LEU HA 1 54 TYR HB3 6.000 . 6.000 5.822 5.643 6.004 0.004 3 0 "[ . 1]" 1
274 1 54 TYR QD 1 63 VAL HB 4.590 . 4.590 3.723 3.028 4.602 0.012 3 0 "[ . 1]" 1
275 1 10 THR HA 1 11 VAL HB 4.820 . 4.820 4.635 4.489 4.822 0.002 8 0 "[ . 1]" 1
276 1 113 ALA MB 1 119 LYS HB3 3.640 . 3.640 2.509 2.136 3.430 . 0 0 "[ . 1]" 1
277 1 31 GLU HB3 1 43 LEU HG 5.340 . 5.340 5.273 4.990 5.368 0.028 8 0 "[ . 1]" 1
278 1 31 GLU HB3 1 68 VAL MG1 5.820 . 5.820 4.477 4.281 4.829 . 0 0 "[ . 1]" 1
279 1 31 GLU HB3 1 85 ILE MG 6.000 . 6.000 4.811 4.668 5.138 . 0 0 "[ . 1]" 1
280 1 17 TYR QD 1 21 VAL MG1 4.210 . 4.210 1.908 1.869 1.923 . 0 0 "[ . 1]" 1
281 1 12 VAL HA 1 68 VAL MG2 4.710 . 4.710 4.609 4.553 4.655 . 0 0 "[ . 1]" 1
282 1 43 LEU MD1 1 46 LYS HB3 6.370 . 6.370 3.988 3.145 6.054 . 0 0 "[ . 1]" 1
283 1 12 VAL MG1 1 20 ILE MD 3.260 . 3.260 1.794 1.772 1.907 0.028 4 0 "[ . 1]" 1
284 1 28 VAL HB 1 88 TYR HB3 4.260 . 4.260 3.757 3.439 4.273 0.013 3 0 "[ . 1]" 1
285 1 53 LEU HB2 1 54 TYR HB3 6.000 . 6.000 5.794 5.520 5.985 . 0 0 "[ . 1]" 1
286 1 85 ILE HB 1 99 TYR HB2 4.130 . 4.130 2.121 1.928 2.598 . 0 0 "[ . 1]" 1
287 1 46 LYS HA 1 49 GLU HB3 4.160 . 4.160 3.712 3.353 3.991 . 0 0 "[ . 1]" 1
288 1 74 ASP HA 1 75 VAL HB 5.580 . 5.580 5.267 5.152 5.531 . 0 0 "[ . 1]" 1
289 1 50 LEU HA 1 53 LEU HB2 3.910 . 3.910 2.532 2.307 2.779 . 0 0 "[ . 1]" 1
290 1 17 TYR QE 1 21 VAL MG2 4.450 . 4.450 2.566 2.478 2.615 . 0 0 "[ . 1]" 1
291 1 21 VAL MG2 1 88 TYR QD 4.060 . 4.060 3.830 3.740 3.889 . 0 0 "[ . 1]" 1
292 1 50 LEU MD1 1 110 LYS H 6.000 . 6.000 5.910 5.704 6.005 0.005 8 0 "[ . 1]" 1
293 1 36 TRP HZ2 1 71 THR MG 4.360 . 4.360 2.829 2.466 3.672 . 0 0 "[ . 1]" 1
294 1 71 THR MG 1 82 PHE QE 5.070 . 5.070 3.945 3.376 4.708 . 0 0 "[ . 1]" 1
295 1 90 ALA MB 1 93 LYS HB3 5.340 . 5.340 5.092 4.776 5.371 0.031 6 0 "[ . 1]" 1
296 1 108 LEU HG 1 109 ILE HA 5.710 . 5.710 4.286 3.406 5.713 0.003 8 0 "[ . 1]" 1
297 1 34 ALA MB 1 82 PHE QD 4.750 . 4.750 3.467 3.265 3.931 . 0 0 "[ . 1]" 1
298 1 9 VAL HA 1 51 GLY HA2 6.000 . 6.000 5.713 4.479 6.006 0.006 3 0 "[ . 1]" 1
299 1 50 LEU HA 1 53 LEU HB3 4.090 . 4.090 3.682 3.455 3.826 . 0 0 "[ . 1]" 1
300 1 92 ALA MB 1 93 LYS HB3 5.310 . 5.310 5.186 5.021 5.318 0.008 10 0 "[ . 1]" 1
301 1 51 GLY HA3 1 65 ILE HG13 5.000 . 5.000 3.617 3.516 3.761 . 0 0 "[ . 1]" 1
302 1 25 THR HA 1 26 LYS HA 6.000 . 6.000 4.431 4.369 4.536 . 0 0 "[ . 1]" 1
303 1 43 LEU HA 1 105 VAL MG1 5.240 . 5.240 4.911 4.776 5.006 . 0 0 "[ . 1]" 1
304 1 29 LEU HA 1 29 LEU MD1 4.110 . 4.110 4.010 3.951 4.051 . 0 0 "[ . 1]" 1
305 1 22 LEU HA 1 93 LYS HB2 4.080 . 4.080 3.490 3.129 4.097 0.017 6 0 "[ . 1]" 1
306 1 12 VAL HB 1 68 VAL MG2 3.740 . 3.740 2.742 2.625 2.931 . 0 0 "[ . 1]" 1
307 1 88 TYR HB3 1 93 LYS HB3 4.320 . 4.320 3.354 3.173 3.678 . 0 0 "[ . 1]" 1
308 1 108 LEU HA 1 109 ILE MG 4.830 . 4.830 4.842 4.838 4.851 0.021 2 0 "[ . 1]" 1
309 1 89 PRO HD2 1 93 LYS HA 4.570 . 4.570 2.549 2.279 2.936 . 0 0 "[ . 1]" 1
310 1 43 LEU HA 1 45 PRO HD2 4.600 . 4.600 4.261 4.176 4.315 . 0 0 "[ . 1]" 1
311 1 111 PHE HA 1 114 GLU HA 5.710 . 5.710 5.333 5.191 5.609 . 0 0 "[ . 1]" 1
312 1 30 ILE MD 1 32 PHE HZ 4.400 . 4.400 2.587 2.496 2.766 . 0 0 "[ . 1]" 1
313 1 30 ILE MD 1 32 PHE QD 4.350 . 4.350 3.728 3.510 3.974 . 0 0 "[ . 1]" 1
314 1 17 TYR QD 1 30 ILE MD 4.560 . 4.560 3.207 2.811 3.534 . 0 0 "[ . 1]" 1
315 1 12 VAL HB 1 68 VAL HB 3.000 . 3.000 2.067 1.956 2.250 . 0 0 "[ . 1]" 1
316 1 43 LEU MD2 1 46 LYS HB2 6.370 . 6.370 3.853 3.479 4.224 . 0 0 "[ . 1]" 1
317 1 50 LEU HG 1 65 ILE HG13 3.530 . 3.530 2.725 2.507 2.853 . 0 0 "[ . 1]" 1
318 1 29 LEU MD1 1 112 ILE MD 3.120 . 3.120 1.854 1.789 2.257 0.011 6 0 "[ . 1]" 1
319 1 50 LEU HB2 1 105 VAL MG1 3.230 . 3.230 2.180 2.010 2.606 . 0 0 "[ . 1]" 1
320 1 20 ILE MD 1 21 VAL MG1 3.770 . 3.770 2.954 2.851 3.108 . 0 0 "[ . 1]" 1
321 1 73 ASN HB2 1 74 ASP H 4.630 . 4.630 3.361 2.768 3.698 . 0 0 "[ . 1]" 1
322 1 8 PRO HB2 1 9 VAL H 4.080 . 4.080 2.847 1.973 4.154 0.074 3 0 "[ . 1]" 1
323 1 10 THR H 1 66 ALA HA 4.040 . 4.040 2.833 2.218 3.274 . 0 0 "[ . 1]" 1
324 1 9 VAL HA 1 10 THR H 3.550 . 3.550 2.199 2.143 2.261 . 0 0 "[ . 1]" 1
325 1 10 THR H 1 11 VAL HA 5.140 . 5.140 4.911 4.769 5.174 0.034 2 0 "[ . 1]" 1
326 1 10 THR H 1 10 THR HB 3.950 . 3.950 2.710 2.514 2.911 . 0 0 "[ . 1]" 1
327 1 10 THR H 1 10 THR MG 4.700 . 4.700 3.895 3.806 3.964 . 0 0 "[ . 1]" 1
328 1 10 THR H 1 66 ALA MB 5.190 . 5.190 4.082 3.529 4.552 . 0 0 "[ . 1]" 1
329 1 10 THR H 1 12 VAL MG2 5.080 . 5.080 4.811 4.581 5.021 . 0 0 "[ . 1]" 1
330 1 11 VAL HA 1 12 VAL H 3.220 . 3.220 2.224 2.201 2.228 . 0 0 "[ . 1]" 1
331 1 12 VAL H 1 68 VAL HA 4.940 . 4.940 4.045 3.830 4.197 . 0 0 "[ . 1]" 1
332 1 12 VAL H 1 12 VAL HB 3.640 . 3.640 2.989 2.816 3.264 . 0 0 "[ . 1]" 1
333 1 12 VAL H 1 68 VAL HB 4.690 . 4.690 3.139 2.749 3.782 . 0 0 "[ . 1]" 1
334 1 12 VAL H 1 12 VAL MG2 4.090 . 4.090 2.564 2.178 2.875 . 0 0 "[ . 1]" 1
335 1 13 VAL H 1 17 TYR H 5.120 . 5.120 2.964 2.532 3.212 . 0 0 "[ . 1]" 1
336 1 13 VAL H 1 16 ASN HD21 4.700 . 4.700 4.467 4.301 4.591 . 0 0 "[ . 1]" 1
337 1 12 VAL HA 1 13 VAL H 3.170 . 3.170 2.201 2.157 2.213 . 0 0 "[ . 1]" 1
338 1 12 VAL HB 1 13 VAL H 4.740 . 4.740 4.282 4.134 4.386 . 0 0 "[ . 1]" 1
339 1 12 VAL MG1 1 13 VAL H 3.460 . 3.460 3.285 3.064 3.434 . 0 0 "[ . 1]" 1
340 1 13 VAL HB 1 14 ALA H 4.020 . 4.020 3.611 3.204 3.822 . 0 0 "[ . 1]" 1
341 1 14 ALA H 1 14 ALA MB 3.420 . 3.420 2.100 2.035 2.207 . 0 0 "[ . 1]" 1
342 1 13 VAL MG2 1 14 ALA H 4.570 . 4.570 2.691 1.801 3.946 . 0 0 "[ . 1]" 1
343 1 13 VAL MG1 1 14 ALA H 4.570 . 4.570 2.822 1.883 3.472 . 0 0 "[ . 1]" 1
344 1 15 LYS H 1 16 ASN H 4.120 . 4.120 2.456 2.418 2.473 . 0 0 "[ . 1]" 1
345 1 13 VAL HB 1 15 LYS H 4.630 . 4.630 3.812 2.797 4.510 . 0 0 "[ . 1]" 1
346 1 14 ALA MB 1 15 LYS H 3.840 . 3.840 2.689 2.585 2.806 . 0 0 "[ . 1]" 1
347 1 13 VAL H 1 16 ASN H 4.570 . 4.570 3.318 3.062 3.539 . 0 0 "[ . 1]" 1
348 1 16 ASN H 1 17 TYR HB2 5.780 . 5.780 5.467 5.381 5.612 . 0 0 "[ . 1]" 1
349 1 13 VAL MG2 1 16 ASN H 5.320 . 5.320 3.799 3.617 4.108 . 0 0 "[ . 1]" 1
350 1 14 ALA HA 1 17 TYR H 4.800 . 4.800 4.027 3.874 4.183 . 0 0 "[ . 1]" 1
351 1 17 TYR H 1 17 TYR HB3 3.640 . 3.640 2.089 2.083 2.097 . 0 0 "[ . 1]" 1
352 1 17 TYR H 1 17 TYR HB2 3.660 . 3.660 3.359 3.340 3.384 . 0 0 "[ . 1]" 1
353 1 12 VAL MG1 1 17 TYR H 4.570 . 4.570 2.890 2.777 3.110 . 0 0 "[ . 1]" 1
354 1 18 ASN H 1 19 GLU H 3.800 . 3.800 2.845 2.813 2.904 . 0 0 "[ . 1]" 1
355 1 17 TYR QD 1 18 ASN H 4.240 . 4.240 2.673 2.596 2.785 . 0 0 "[ . 1]" 1
356 1 17 TYR H 1 18 ASN H 4.230 . 4.230 2.972 2.728 3.026 . 0 0 "[ . 1]" 1
357 1 17 TYR HB3 1 18 ASN H 3.620 . 3.620 3.307 3.248 3.378 . 0 0 "[ . 1]" 1
358 1 18 ASN H 1 18 ASN HB3 3.500 . 3.500 2.300 2.289 2.313 . 0 0 "[ . 1]" 1
359 1 19 GLU H 1 21 VAL H 4.550 . 4.550 4.111 3.913 4.194 . 0 0 "[ . 1]" 1
360 1 16 ASN HA 1 19 GLU H 4.520 . 4.520 3.556 3.498 3.666 . 0 0 "[ . 1]" 1
361 1 18 ASN HB3 1 19 GLU H 4.020 . 4.020 3.867 3.834 3.900 . 0 0 "[ . 1]" 1
362 1 19 GLU H 1 19 GLU HB2 4.070 . 4.070 2.441 2.186 3.602 . 0 0 "[ . 1]" 1
363 1 19 GLU H 1 19 GLU HB3 4.070 . 4.070 2.865 2.598 3.489 . 0 0 "[ . 1]" 1
364 1 20 ILE H 1 20 ILE HB 3.700 . 3.700 3.615 3.610 3.623 . 0 0 "[ . 1]" 1
365 1 20 ILE H 1 20 ILE HG13 4.680 . 4.680 3.275 3.194 3.315 . 0 0 "[ . 1]" 1
366 1 19 GLU HB2 1 20 ILE H 4.490 . 4.490 3.346 2.512 3.599 . 0 0 "[ . 1]" 1
367 1 19 GLU HB3 1 20 ILE H 4.490 . 4.490 2.441 2.161 4.011 . 0 0 "[ . 1]" 1
368 1 17 TYR HA 1 20 ILE H 4.880 . 4.880 3.643 3.567 3.693 . 0 0 "[ . 1]" 1
369 1 19 GLU H 1 20 ILE H 3.590 . 3.590 2.727 2.587 2.767 . 0 0 "[ . 1]" 1
370 1 20 ILE H 1 21 VAL H 3.730 . 3.730 2.842 2.706 2.891 . 0 0 "[ . 1]" 1
371 1 18 ASN HA 1 21 VAL H 5.280 . 5.280 4.210 4.132 4.247 . 0 0 "[ . 1]" 1
372 1 17 TYR HA 1 21 VAL H 4.850 . 4.850 3.638 3.587 3.744 . 0 0 "[ . 1]" 1
373 1 21 VAL H 1 21 VAL MG1 3.560 . 3.560 2.090 2.067 2.187 . 0 0 "[ . 1]" 1
374 1 20 ILE MG 1 21 VAL H 4.480 . 4.480 3.913 3.894 3.977 . 0 0 "[ . 1]" 1
375 1 21 VAL H 1 21 VAL HB 3.780 . 3.780 3.608 3.597 3.620 . 0 0 "[ . 1]" 1
376 1 20 ILE HB 1 21 VAL H 3.650 . 3.650 3.517 3.441 3.655 0.005 5 0 "[ . 1]" 1
377 1 21 VAL HB 1 22 LEU H 4.200 . 4.200 3.773 3.664 3.849 . 0 0 "[ . 1]" 1
378 1 22 LEU H 1 22 LEU MD1 4.540 . 4.540 3.680 3.545 3.743 . 0 0 "[ . 1]" 1
379 1 22 LEU H 1 22 LEU HG 3.790 . 3.790 2.631 2.464 2.709 . 0 0 "[ . 1]" 1
380 1 22 LEU H 1 22 LEU HB2 3.890 . 3.890 2.331 2.295 2.379 . 0 0 "[ . 1]" 1
381 1 21 VAL H 1 22 LEU H 3.740 . 3.740 2.669 2.541 2.778 . 0 0 "[ . 1]" 1
382 1 22 LEU H 1 23 ASP H 3.820 . 3.820 2.543 2.487 2.611 . 0 0 "[ . 1]" 1
383 1 20 ILE HA 1 23 ASP H 4.810 . 4.810 3.586 3.433 3.735 . 0 0 "[ . 1]" 1
384 1 23 ASP H 1 23 ASP HB2 3.550 . 3.550 2.160 2.133 2.200 . 0 0 "[ . 1]" 1
385 1 23 ASP H 1 23 ASP HB3 3.550 . 3.550 3.093 2.924 3.482 . 0 0 "[ . 1]" 1
386 1 21 VAL HA 1 23 ASP H 4.770 . 4.770 3.803 3.735 3.876 . 0 0 "[ . 1]" 1
387 1 25 THR H 1 25 THR MG 3.810 . 3.810 2.737 1.987 3.818 0.008 5 0 "[ . 1]" 1
388 1 25 THR HB 1 26 LYS H 5.370 . 5.370 4.167 3.545 4.568 . 0 0 "[ . 1]" 1
389 1 25 THR H 1 26 LYS H 3.660 . 3.660 2.623 2.454 2.807 . 0 0 "[ . 1]" 1
390 1 27 ASP H 1 118 TYR QD 4.790 . 4.790 3.753 3.354 4.234 . 0 0 "[ . 1]" 1
391 1 27 ASP H 1 118 TYR QE 4.390 . 4.390 3.501 2.235 4.358 . 0 0 "[ . 1]" 1
392 1 26 LYS HA 1 27 ASP H 3.380 . 3.380 2.243 2.160 2.429 . 0 0 "[ . 1]" 1
393 1 28 VAL H 1 28 VAL MG2 4.580 . 4.580 2.767 2.668 2.895 . 0 0 "[ . 1]" 1
394 1 28 VAL H 1 28 VAL MG1 4.040 . 4.040 3.940 3.929 3.953 . 0 0 "[ . 1]" 1
395 1 27 ASP HB3 1 28 VAL H 4.610 . 4.610 3.337 3.084 3.747 . 0 0 "[ . 1]" 1
396 1 28 VAL H 1 28 VAL HB 4.050 . 4.050 2.849 2.809 2.893 . 0 0 "[ . 1]" 1
397 1 27 ASP HB2 1 28 VAL H 4.610 . 4.610 4.285 4.094 4.412 . 0 0 "[ . 1]" 1
398 1 27 ASP HA 1 28 VAL H 3.480 . 3.480 2.213 2.159 2.265 . 0 0 "[ . 1]" 1
399 1 29 LEU H 1 65 ILE HA 4.820 . 4.820 3.745 3.405 3.861 . 0 0 "[ . 1]" 1
400 1 28 VAL MG1 1 29 LEU H 3.900 . 3.900 2.059 1.972 2.195 . 0 0 "[ . 1]" 1
401 1 28 VAL MG2 1 29 LEU H 4.180 . 4.180 4.014 3.948 4.072 . 0 0 "[ . 1]" 1
402 1 29 LEU H 1 29 LEU HG 4.990 . 4.990 2.444 2.268 2.605 . 0 0 "[ . 1]" 1
403 1 30 ILE H 1 30 ILE MG 3.670 . 3.670 1.963 1.937 2.109 . 0 0 "[ . 1]" 1
404 1 29 LEU HA 1 30 ILE H 3.480 . 3.480 2.177 2.147 2.228 . 0 0 "[ . 1]" 1
405 1 30 ILE H 1 87 LEU HA 4.620 . 4.620 3.975 3.777 4.111 . 0 0 "[ . 1]" 1
406 1 29 LEU H 1 30 ILE H 4.610 . 4.610 4.067 3.887 4.416 . 0 0 "[ . 1]" 1
407 1 30 ILE H 1 86 LYS H 5.020 . 5.020 3.996 3.726 4.109 . 0 0 "[ . 1]" 1
408 1 31 GLU H 1 67 LYS HA 3.780 . 3.780 2.766 2.596 2.974 . 0 0 "[ . 1]" 1
409 1 30 ILE HA 1 31 GLU H 3.330 . 3.330 2.148 2.130 2.167 . 0 0 "[ . 1]" 1
410 1 30 ILE HG13 1 31 GLU H 4.330 . 4.330 3.243 3.028 3.436 . 0 0 "[ . 1]" 1
411 1 30 ILE HB 1 31 GLU H 4.340 . 4.340 4.275 4.178 4.341 0.001 1 0 "[ . 1]" 1
412 1 31 GLU H 1 31 GLU HB3 3.880 . 3.880 2.743 2.550 2.959 . 0 0 "[ . 1]" 1
413 1 31 GLU HB3 1 32 PHE H 4.270 . 4.270 4.037 3.906 4.165 . 0 0 "[ . 1]" 1
414 1 32 PHE H 1 32 PHE HB2 4.100 . 4.100 2.315 2.274 2.413 . 0 0 "[ . 1]" 1
415 1 31 GLU HA 1 32 PHE H 3.480 . 3.480 2.157 2.133 2.228 . 0 0 "[ . 1]" 1
416 1 32 PHE H 1 85 ILE HA 4.780 . 4.780 3.522 3.248 3.762 . 0 0 "[ . 1]" 1
417 1 32 PHE H 1 32 PHE QD 3.730 . 3.730 3.175 2.970 3.334 . 0 0 "[ . 1]" 1
418 1 33 TYR H 1 70 ALA H 4.280 . 4.280 2.950 2.627 3.314 . 0 0 "[ . 1]" 1
419 1 33 TYR H 1 33 TYR QD 4.060 . 4.060 2.528 2.143 2.817 . 0 0 "[ . 1]" 1
420 1 32 PHE HA 1 33 TYR H 3.300 . 3.300 2.147 2.133 2.173 . 0 0 "[ . 1]" 1
421 1 33 TYR H 1 69 ASP HA 4.560 . 4.560 2.314 2.078 2.585 . 0 0 "[ . 1]" 1
422 1 33 TYR H 1 70 ALA MB 4.590 . 4.590 3.644 3.053 4.034 . 0 0 "[ . 1]" 1
423 1 34 ALA HA 1 37 CYS H 4.710 . 4.710 4.497 4.438 4.581 . 0 0 "[ . 1]" 1
424 1 42 ALA H 1 42 ALA MB 3.490 . 3.490 2.133 2.083 2.204 . 0 0 "[ . 1]" 1
425 1 43 LEU H 1 43 LEU HB3 3.350 . 3.350 3.122 3.030 3.170 . 0 0 "[ . 1]" 1
426 1 43 LEU H 1 43 LEU HB2 3.540 . 3.540 2.066 2.051 2.096 . 0 0 "[ . 1]" 1
427 1 44 ALA H 1 44 ALA MB 3.370 . 3.370 2.063 2.024 2.125 . 0 0 "[ . 1]" 1
428 1 43 LEU HB3 1 44 ALA H 4.070 . 4.070 3.060 2.943 3.207 . 0 0 "[ . 1]" 1
429 1 44 ALA H 1 45 PRO HD2 3.980 . 3.980 2.088 2.036 2.140 . 0 0 "[ . 1]" 1
430 1 44 ALA H 1 45 PRO HD3 4.250 . 4.250 3.366 3.351 3.380 . 0 0 "[ . 1]" 1
431 1 46 LYS H 1 47 TYR H 3.460 . 3.460 2.563 2.423 2.639 . 0 0 "[ . 1]" 1
432 1 45 PRO HD2 1 46 LYS H 4.050 . 4.050 2.961 2.893 3.050 . 0 0 "[ . 1]" 1
433 1 46 LYS HB2 1 47 TYR H 4.700 . 4.700 3.313 2.965 3.714 . 0 0 "[ . 1]" 1
434 1 46 LYS HB3 1 47 TYR H 4.700 . 4.700 3.326 2.969 3.712 . 0 0 "[ . 1]" 1
435 1 47 TYR H 1 47 TYR HB2 3.520 . 3.520 2.146 2.136 2.155 . 0 0 "[ . 1]" 1
436 1 45 PRO HD2 1 47 TYR H 4.710 . 4.710 4.583 4.555 4.648 . 0 0 "[ . 1]" 1
437 1 44 ALA HA 1 47 TYR H 4.730 . 4.730 3.682 3.550 3.788 . 0 0 "[ . 1]" 1
438 1 45 PRO HA 1 48 GLU H 4.880 . 4.880 3.331 3.214 3.535 . 0 0 "[ . 1]" 1
439 1 47 TYR HB2 1 48 GLU H 4.730 . 4.730 3.492 3.466 3.527 . 0 0 "[ . 1]" 1
440 1 46 LYS HA 1 49 GLU H 4.150 . 4.150 3.601 3.457 3.661 . 0 0 "[ . 1]" 1
441 1 48 GLU H 1 49 GLU H 3.740 . 3.740 2.495 2.428 2.530 . 0 0 "[ . 1]" 1
442 1 49 GLU H 1 50 LEU H 3.730 . 3.730 2.683 2.622 2.763 . 0 0 "[ . 1]" 1
443 1 50 LEU H 1 50 LEU HB3 3.340 . 3.340 2.346 2.301 2.375 . 0 0 "[ . 1]" 1
444 1 50 LEU H 1 50 LEU HB2 3.490 . 3.490 2.686 2.647 2.743 . 0 0 "[ . 1]" 1
445 1 50 LEU H 1 105 VAL MG1 4.920 . 4.920 3.032 2.912 3.129 . 0 0 "[ . 1]" 1
446 1 50 LEU HB2 1 51 GLY H 4.540 . 4.540 4.127 4.081 4.164 . 0 0 "[ . 1]" 1
447 1 50 LEU HB3 1 51 GLY H 3.720 . 3.720 2.921 2.825 2.973 . 0 0 "[ . 1]" 1
448 1 52 ALA H 1 52 ALA MB 3.400 . 3.400 2.136 2.096 2.243 . 0 0 "[ . 1]" 1
449 1 8 PRO HB2 1 52 ALA H 4.550 . 4.550 3.956 3.470 4.551 0.001 4 0 "[ . 1]" 1
450 1 52 ALA H 1 53 LEU HB2 4.740 . 4.740 4.369 4.301 4.415 . 0 0 "[ . 1]" 1
451 1 52 ALA MB 1 53 LEU H 3.690 . 3.690 2.800 2.644 2.873 . 0 0 "[ . 1]" 1
452 1 53 LEU H 1 53 LEU HB3 4.130 . 4.130 3.363 3.260 3.461 . 0 0 "[ . 1]" 1
453 1 53 LEU H 1 53 LEU HB2 3.500 . 3.500 2.104 2.073 2.151 . 0 0 "[ . 1]" 1
454 1 53 LEU H 1 53 LEU HG 4.510 . 4.510 3.873 3.190 4.351 . 0 0 "[ . 1]" 1
455 1 52 ALA H 1 53 LEU H 3.830 . 3.830 2.532 2.479 2.606 . 0 0 "[ . 1]" 1
456 1 53 LEU H 1 54 TYR H 3.630 . 3.630 2.709 2.640 2.845 . 0 0 "[ . 1]" 1
457 1 54 TYR H 1 54 TYR QD 4.010 . 4.010 3.638 3.336 4.014 0.004 4 0 "[ . 1]" 1
458 1 54 TYR H 1 54 TYR HB2 4.040 . 4.040 2.090 2.063 2.136 . 0 0 "[ . 1]" 1
459 1 54 TYR H 1 54 TYR HB3 3.570 . 3.570 3.138 3.016 3.228 . 0 0 "[ . 1]" 1
460 1 53 LEU HB2 1 54 TYR H 4.090 . 4.090 2.694 2.441 2.942 . 0 0 "[ . 1]" 1
461 1 53 LEU HB3 1 54 TYR H 4.010 . 4.010 2.646 2.386 2.764 . 0 0 "[ . 1]" 1
462 1 55 ALA H 1 55 ALA MB 3.360 . 3.360 2.245 2.184 2.279 . 0 0 "[ . 1]" 1
463 1 54 TYR HB2 1 55 ALA H 5.000 . 5.000 3.488 3.332 3.600 . 0 0 "[ . 1]" 1
464 1 52 ALA HA 1 55 ALA H 4.750 . 4.750 3.807 3.638 4.024 . 0 0 "[ . 1]" 1
465 1 54 TYR H 1 55 ALA H 3.850 . 3.850 2.698 2.620 2.792 . 0 0 "[ . 1]" 1
466 1 55 ALA H 1 56 LYS H 3.780 . 3.780 2.502 2.363 2.675 . 0 0 "[ . 1]" 1
467 1 56 LYS H 1 57 SER H 3.750 . 3.750 2.768 2.434 3.020 . 0 0 "[ . 1]" 1
468 1 53 LEU HA 1 56 LYS H 4.830 . 4.830 3.469 3.260 3.638 . 0 0 "[ . 1]" 1
469 1 55 ALA MB 1 56 LYS H 3.600 . 3.600 2.769 2.681 2.891 . 0 0 "[ . 1]" 1
470 1 57 SER HB2 1 59 PHE H 4.730 . 4.730 3.660 2.721 4.365 . 0 0 "[ . 1]" 1
471 1 57 SER HB3 1 59 PHE H 4.730 . 4.730 2.718 2.313 3.606 . 0 0 "[ . 1]" 1
472 1 59 PHE H 1 59 PHE QE 5.000 . 5.000 4.635 4.193 5.003 0.003 2 0 "[ . 1]" 1
473 1 58 GLU H 1 59 PHE H 4.490 . 4.490 2.772 2.474 3.131 . 0 0 "[ . 1]" 1
474 1 59 PHE H 1 60 LYS H 3.680 . 3.680 2.708 2.255 3.034 . 0 0 "[ . 1]" 1
475 1 44 ALA H 1 45 PRO HG2 4.540 . 4.540 4.203 4.111 4.289 . 0 0 "[ . 1]" 1
476 1 60 LYS H 1 61 ASP H 4.180 . 4.180 2.585 2.487 2.731 . 0 0 "[ . 1]" 1
477 1 61 ASP H 1 62 ARG H 3.700 . 3.700 2.545 2.371 2.636 . 0 0 "[ . 1]" 1
478 1 62 ARG H 1 63 VAL H 3.310 . 3.310 2.340 1.991 2.860 . 0 0 "[ . 1]" 1
479 1 62 ARG H 1 62 ARG HG2 5.250 . 5.250 4.446 3.605 4.895 . 0 0 "[ . 1]" 1
480 1 62 ARG H 1 62 ARG HG3 5.250 . 5.250 3.772 2.756 4.504 . 0 0 "[ . 1]" 1
481 1 19 GLU H 1 20 ILE HG12 4.160 . 4.160 3.717 3.655 3.770 . 0 0 "[ . 1]" 1
482 1 63 VAL MG1 1 64 VAL H 4.200 . 4.200 2.763 1.944 3.944 . 0 0 "[ . 1]" 1
483 1 63 VAL MG2 1 64 VAL H 4.200 . 4.200 3.239 1.985 4.055 . 0 0 "[ . 1]" 1
484 1 29 LEU HG 1 64 VAL H 4.340 . 4.340 3.477 3.120 3.997 . 0 0 "[ . 1]" 1
485 1 63 VAL HA 1 64 VAL H 3.330 . 3.330 2.257 2.174 2.330 . 0 0 "[ . 1]" 1
486 1 64 VAL HA 1 65 ILE H 3.200 . 3.200 2.150 2.138 2.176 . 0 0 "[ . 1]" 1
487 1 65 ILE H 1 65 ILE HG12 4.160 . 4.160 2.074 1.995 2.126 . 0 0 "[ . 1]" 1
488 1 65 ILE H 1 65 ILE HB 3.790 . 3.790 2.642 2.600 2.688 . 0 0 "[ . 1]" 1
489 1 65 ILE H 1 65 ILE HG13 4.520 . 4.520 3.575 3.537 3.597 . 0 0 "[ . 1]" 1
490 1 65 ILE MG 1 66 ALA H 4.540 . 4.540 2.927 2.599 3.130 . 0 0 "[ . 1]" 1
491 1 65 ILE HA 1 66 ALA H 3.500 . 3.500 2.154 2.145 2.166 . 0 0 "[ . 1]" 1
492 1 30 ILE HA 1 66 ALA H 4.760 . 4.760 3.824 3.622 3.950 . 0 0 "[ . 1]" 1
493 1 66 ALA HA 1 67 LYS H 3.390 . 3.390 2.152 2.143 2.173 . 0 0 "[ . 1]" 1
494 1 47 TYR QE 1 67 LYS H 5.060 . 5.060 4.250 3.424 4.992 . 0 0 "[ . 1]" 1
495 1 11 VAL HA 1 67 LYS H 4.730 . 4.730 4.432 3.812 4.599 . 0 0 "[ . 1]" 1
496 1 66 ALA MB 1 67 LYS H 3.730 . 3.730 3.105 3.026 3.147 . 0 0 "[ . 1]" 1
497 1 12 VAL MG2 1 67 LYS H 4.480 . 4.480 3.276 2.960 3.493 . 0 0 "[ . 1]" 1
498 1 33 TYR QD 1 68 VAL H 4.450 . 4.450 3.133 2.692 3.518 . 0 0 "[ . 1]" 1
499 1 33 TYR QE 1 68 VAL H 4.760 . 4.760 2.486 1.994 3.219 . 0 0 "[ . 1]" 1
500 1 67 LYS HA 1 68 VAL H 3.460 . 3.460 2.280 2.177 2.380 . 0 0 "[ . 1]" 1
501 1 68 VAL H 1 68 VAL MG1 3.650 . 3.650 2.589 2.376 2.696 . 0 0 "[ . 1]" 1
502 1 32 PHE HA 1 68 VAL H 4.680 . 4.680 3.829 3.662 3.922 . 0 0 "[ . 1]" 1
503 1 68 VAL MG2 1 69 ASP H 4.040 . 4.040 1.995 1.921 2.085 . 0 0 "[ . 1]" 1
504 1 69 ASP HA 1 70 ALA H 3.380 . 3.380 2.256 2.253 2.262 . 0 0 "[ . 1]" 1
505 1 70 ALA H 1 70 ALA MB 3.610 . 3.610 2.147 2.100 2.262 . 0 0 "[ . 1]" 1
506 1 68 VAL MG1 1 70 ALA H 5.270 . 5.270 4.851 4.790 4.919 . 0 0 "[ . 1]" 1
507 1 68 VAL MG2 1 70 ALA H 5.770 . 5.770 4.688 4.614 4.783 . 0 0 "[ . 1]" 1
508 1 71 THR H 1 71 THR MG 3.820 . 3.820 2.589 2.553 2.638 . 0 0 "[ . 1]" 1
509 1 70 ALA MB 1 71 THR H 4.540 . 4.540 3.715 3.702 3.723 . 0 0 "[ . 1]" 1
510 1 69 ASP HA 1 71 THR H 5.040 . 5.040 4.323 4.222 4.439 . 0 0 "[ . 1]" 1
511 1 71 THR H 1 72 ALA H 3.530 . 3.530 2.092 1.999 2.114 . 0 0 "[ . 1]" 1
512 1 70 ALA H 1 71 THR H 3.920 . 3.920 3.404 3.210 3.554 . 0 0 "[ . 1]" 1
513 1 72 ALA MB 1 73 ASN H 4.360 . 4.360 2.113 1.972 2.234 . 0 0 "[ . 1]" 1
514 1 73 ASN H 1 73 ASN HB3 3.840 . 3.840 3.715 3.354 3.841 0.001 10 0 "[ . 1]" 1
515 1 73 ASN H 1 73 ASN HD21 4.190 . 4.190 2.105 1.981 2.738 . 0 0 "[ . 1]" 1
516 1 73 ASN HA 1 74 ASP H 3.560 . 3.560 2.337 2.224 2.428 . 0 0 "[ . 1]" 1
517 1 73 ASN HB3 1 74 ASP H 3.950 . 3.950 2.820 2.486 3.712 . 0 0 "[ . 1]" 1
518 1 14 ALA MB 1 74 ASP H 4.470 . 4.470 4.348 4.111 4.484 0.014 8 0 "[ . 1]" 1
519 1 75 VAL H 1 75 VAL HB 3.400 . 3.400 3.116 2.803 3.286 . 0 0 "[ . 1]" 1
520 1 75 VAL H 1 76 PRO HA 4.690 . 4.690 4.595 4.491 4.698 0.008 5 0 "[ . 1]" 1
521 1 77 ASP HA 1 78 GLU H 3.490 . 3.490 2.249 2.136 2.396 . 0 0 "[ . 1]" 1
522 1 78 GLU HA 1 79 ILE H 3.210 . 3.210 2.164 2.146 2.201 . 0 0 "[ . 1]" 1
523 1 78 GLU HB3 1 79 ILE H 4.630 . 4.630 3.998 3.569 4.435 . 0 0 "[ . 1]" 1
524 1 78 GLU HB2 1 79 ILE H 4.630 . 4.630 4.397 3.615 4.631 0.001 2 0 "[ . 1]" 1
525 1 79 ILE HA 1 81 GLY H 4.840 . 4.840 4.459 4.152 4.756 . 0 0 "[ . 1]" 1
526 1 79 ILE MG 1 81 GLY H 4.560 . 4.560 4.523 4.283 4.586 0.026 8 0 "[ . 1]" 1
527 1 82 PHE H 1 82 PHE QE 4.690 . 4.690 5.053 5.026 5.077 0.387 5 0 "[ . 1]" 1
528 1 32 PHE H 1 84 THR H 4.640 . 4.640 3.749 3.476 4.069 . 0 0 "[ . 1]" 1
529 1 84 THR H 1 85 ILE H 5.190 . 5.190 4.534 4.405 4.577 . 0 0 "[ . 1]" 1
530 1 82 PHE HA 1 84 THR H 5.170 . 5.170 3.967 3.809 4.104 . 0 0 "[ . 1]" 1
531 1 84 THR H 1 84 THR HB 4.110 . 4.110 2.129 2.084 2.207 . 0 0 "[ . 1]" 1
532 1 33 TYR HB3 1 84 THR H 5.770 . 5.770 5.010 4.792 5.277 . 0 0 "[ . 1]" 1
533 1 84 THR MG 1 85 ILE H 3.900 . 3.900 2.676 2.474 3.141 . 0 0 "[ . 1]" 1
534 1 85 ILE H 1 85 ILE MD 5.530 . 5.530 3.271 2.140 4.055 . 0 0 "[ . 1]" 1
535 1 85 ILE H 1 85 ILE HB 3.840 . 3.840 2.823 2.641 2.937 . 0 0 "[ . 1]" 1
536 1 32 PHE QD 1 86 LYS H 4.690 . 4.690 4.510 4.322 4.700 0.010 10 0 "[ . 1]" 1
537 1 85 ILE HA 1 86 LYS H 3.340 . 3.340 2.148 2.137 2.163 . 0 0 "[ . 1]" 1
538 1 85 ILE MG 1 86 LYS H 4.110 . 4.110 2.931 2.706 3.107 . 0 0 "[ . 1]" 1
539 1 30 ILE MG 1 86 LYS H 4.610 . 4.610 3.088 2.913 3.233 . 0 0 "[ . 1]" 1
540 1 31 GLU HB2 1 86 LYS H 4.740 . 4.740 4.718 4.541 4.753 0.013 5 0 "[ . 1]" 1
541 1 87 LEU H 1 99 TYR QD 4.760 . 4.760 4.287 4.053 4.684 . 0 0 "[ . 1]" 1
542 1 86 LYS HA 1 87 LEU H 3.460 . 3.460 2.140 2.134 2.155 . 0 0 "[ . 1]" 1
543 1 87 LEU H 1 87 LEU HB3 3.610 . 3.610 3.115 3.047 3.207 . 0 0 "[ . 1]" 1
544 1 32 PHE H 1 68 VAL H 5.630 . 5.630 5.358 5.179 5.495 . 0 0 "[ . 1]" 1
545 1 28 VAL H 1 88 TYR H 4.700 . 4.700 3.841 3.563 3.995 . 0 0 "[ . 1]" 1
546 1 88 TYR H 1 88 TYR QD 4.710 . 4.710 3.676 3.466 3.848 . 0 0 "[ . 1]" 1
547 1 87 LEU HA 1 88 TYR H 3.350 . 3.350 2.162 2.147 2.178 . 0 0 "[ . 1]" 1
548 1 32 PHE H 1 32 PHE HB3 4.100 . 4.100 3.569 3.546 3.616 . 0 0 "[ . 1]" 1
549 1 28 VAL HB 1 88 TYR H 4.850 . 4.850 4.591 4.349 4.846 . 0 0 "[ . 1]" 1
550 1 87 LEU MD2 1 88 TYR H 4.900 . 4.900 3.499 3.288 3.687 . 0 0 "[ . 1]" 1
551 1 32 PHE H 1 68 VAL MG1 4.640 . 4.640 4.015 3.705 4.164 . 0 0 "[ . 1]" 1
552 1 87 LEU MD1 1 88 TYR H 4.900 . 4.900 2.011 1.954 2.148 . 0 0 "[ . 1]" 1
553 1 90 ALA H 1 117 LYS H 4.960 . 4.960 4.409 4.155 4.803 . 0 0 "[ . 1]" 1
554 1 27 ASP HA 1 90 ALA H 3.840 . 3.840 3.017 2.833 3.268 . 0 0 "[ . 1]" 1
555 1 26 LYS HA 1 90 ALA H 5.610 . 5.610 5.378 5.053 5.613 0.003 4 0 "[ . 1]" 1
556 1 90 ALA H 1 90 ALA MB 3.540 . 3.540 2.117 2.067 2.227 . 0 0 "[ . 1]" 1
557 1 90 ALA MB 1 91 GLY H 4.360 . 4.360 3.191 2.914 3.323 . 0 0 "[ . 1]" 1
558 1 90 ALA HA 1 91 GLY H 3.530 . 3.530 2.161 2.141 2.227 . 0 0 "[ . 1]" 1
559 1 92 ALA H 1 93 LYS H 3.930 . 3.930 2.413 2.128 3.080 . 0 0 "[ . 1]" 1
560 1 93 LYS H 1 93 LYS HB3 3.700 . 3.700 2.813 2.649 3.350 . 0 0 "[ . 1]" 1
561 1 91 GLY H 1 93 LYS H 4.010 . 4.010 3.111 2.807 3.853 . 0 0 "[ . 1]" 1
562 1 93 LYS H 1 94 GLY H 4.730 . 4.730 4.488 4.376 4.558 . 0 0 "[ . 1]" 1
563 1 94 GLY H 1 95 GLN H 3.770 . 3.770 2.502 2.389 2.535 . 0 0 "[ . 1]" 1
564 1 93 LYS HB3 1 94 GLY H 4.770 . 4.770 3.345 3.097 3.439 . 0 0 "[ . 1]" 1
565 1 87 LEU H 1 97 VAL H 4.400 . 4.400 2.738 2.283 3.037 . 0 0 "[ . 1]" 1
566 1 96 PRO HA 1 97 VAL H 3.470 . 3.470 2.179 2.154 2.198 . 0 0 "[ . 1]" 1
567 1 97 VAL H 1 97 VAL MG2 3.700 . 3.700 2.124 2.002 2.308 . 0 0 "[ . 1]" 1
568 1 87 LEU HB3 1 97 VAL H 4.370 . 4.370 4.057 3.939 4.178 . 0 0 "[ . 1]" 1
569 1 97 VAL H 1 97 VAL HB 3.940 . 3.940 2.601 2.584 2.621 . 0 0 "[ . 1]" 1
570 1 97 VAL MG1 1 98 THR H 4.030 . 4.030 3.034 2.974 3.161 . 0 0 "[ . 1]" 1
571 1 98 THR H 1 98 THR MG 4.610 . 4.610 3.261 2.867 3.749 . 0 0 "[ . 1]" 1
572 1 98 THR H 1 98 THR HB 3.610 . 3.610 3.348 2.946 3.602 . 0 0 "[ . 1]" 1
573 1 97 VAL HA 1 98 THR H 3.240 . 3.240 2.165 2.163 2.168 . 0 0 "[ . 1]" 1
574 1 99 TYR H 1 99 TYR QD 5.030 . 5.030 2.441 2.220 2.711 . 0 0 "[ . 1]" 1
575 1 86 LYS HA 1 99 TYR H 4.560 . 4.560 4.298 4.160 4.469 . 0 0 "[ . 1]" 1
576 1 99 TYR H 1 99 TYR HB2 3.700 . 3.700 2.199 2.166 2.253 . 0 0 "[ . 1]" 1
577 1 99 TYR H 1 99 TYR HB3 3.790 . 3.790 3.501 3.478 3.535 . 0 0 "[ . 1]" 1
578 1 85 ILE HB 1 99 TYR H 4.440 . 4.440 3.132 2.609 3.477 . 0 0 "[ . 1]" 1
579 1 98 THR MG 1 99 TYR H 3.830 . 3.830 3.520 2.898 3.833 0.003 4 0 "[ . 1]" 1
580 1 100 SER H 1 101 GLY H 4.670 . 4.670 2.093 1.976 2.313 . 0 0 "[ . 1]" 1
581 1 104 THR H 1 108 LEU H 5.670 . 5.670 4.961 4.720 5.311 . 0 0 "[ . 1]" 1
582 1 104 THR H 1 104 THR MG 4.010 . 4.010 3.968 3.889 4.058 0.048 8 0 "[ . 1]" 1
583 1 104 THR HA 1 105 VAL H 3.370 . 3.370 2.315 2.252 2.418 . 0 0 "[ . 1]" 1
584 1 105 VAL H 1 105 VAL HB 3.620 . 3.620 3.602 3.591 3.612 . 0 0 "[ . 1]" 1
585 1 106 GLU H 1 106 GLU HG2 4.300 . 4.300 2.209 2.069 2.352 . 0 0 "[ . 1]" 1
586 1 108 LEU H 1 109 ILE H 3.500 . 3.500 2.681 2.593 2.878 . 0 0 "[ . 1]" 1
587 1 105 VAL HA 1 108 LEU H 4.530 . 4.530 3.145 3.090 3.322 . 0 0 "[ . 1]" 1
588 1 108 LEU H 1 108 LEU HB3 3.340 . 3.340 2.616 2.382 2.968 . 0 0 "[ . 1]" 1
589 1 108 LEU H 1 108 LEU HG 4.450 . 4.450 4.357 4.139 4.469 0.019 3 0 "[ . 1]" 1
590 1 108 LEU HB3 1 109 ILE H 3.920 . 3.920 2.374 2.229 2.475 . 0 0 "[ . 1]" 1
591 1 109 ILE H 1 109 ILE HB 3.220 . 3.220 2.546 2.514 2.563 . 0 0 "[ . 1]" 1
592 1 109 ILE H 1 112 ILE MD 4.620 . 4.620 3.363 3.282 3.571 . 0 0 "[ . 1]" 1
593 1 109 ILE H 1 109 ILE MG 3.780 . 3.780 1.984 1.958 2.047 . 0 0 "[ . 1]" 1
594 1 108 LEU HB2 1 109 ILE H 4.360 . 4.360 3.626 3.290 3.816 . 0 0 "[ . 1]" 1
595 1 109 ILE H 1 110 LYS H 3.810 . 3.810 2.798 2.748 2.868 . 0 0 "[ . 1]" 1
596 1 107 ASP HA 1 110 LYS H 4.620 . 4.620 3.742 3.673 3.785 . 0 0 "[ . 1]" 1
597 1 109 ILE HB 1 110 LYS H 4.160 . 4.160 3.870 3.855 3.966 . 0 0 "[ . 1]" 1
598 1 111 PHE H 1 111 PHE HB2 3.580 . 3.580 2.109 2.075 2.161 . 0 0 "[ . 1]" 1
599 1 111 PHE H 1 111 PHE HB3 3.530 . 3.530 3.146 2.991 3.359 . 0 0 "[ . 1]" 1
600 1 110 LYS H 1 111 PHE H 3.840 . 3.840 2.741 2.642 2.823 . 0 0 "[ . 1]" 1
601 1 111 PHE H 1 112 ILE H 3.630 . 3.630 2.689 2.403 2.866 . 0 0 "[ . 1]" 1
602 1 109 ILE HA 1 112 ILE H 4.340 . 4.340 3.546 3.208 3.756 . 0 0 "[ . 1]" 1
603 1 111 PHE HB3 1 112 ILE H 4.430 . 4.430 2.701 2.455 3.140 . 0 0 "[ . 1]" 1
604 1 111 PHE HB2 1 112 ILE H 4.050 . 4.050 3.250 2.899 3.408 . 0 0 "[ . 1]" 1
605 1 112 ILE H 1 112 ILE HB 3.450 . 3.450 2.633 2.601 2.686 . 0 0 "[ . 1]" 1
606 1 112 ILE H 1 112 ILE MG 4.470 . 4.470 3.768 3.761 3.772 . 0 0 "[ . 1]" 1
607 1 112 ILE H 1 112 ILE MD 4.600 . 4.600 3.022 2.801 3.291 . 0 0 "[ . 1]" 1
608 1 112 ILE H 1 113 ALA H 3.610 . 3.610 2.733 2.567 2.835 . 0 0 "[ . 1]" 1
609 1 113 ALA H 1 115 ASN HD22 6.000 . 6.000 5.606 4.609 6.008 0.008 4 0 "[ . 1]" 1
610 1 109 ILE HA 1 113 ALA H 5.000 . 5.000 4.529 4.453 4.588 . 0 0 "[ . 1]" 1
611 1 110 LYS HA 1 113 ALA H 5.150 . 5.150 3.664 3.548 3.765 . 0 0 "[ . 1]" 1
612 1 112 ILE HB 1 113 ALA H 3.770 . 3.770 2.869 2.630 3.048 . 0 0 "[ . 1]" 1
613 1 112 ILE MG 1 113 ALA H 4.710 . 4.710 3.720 3.475 3.833 . 0 0 "[ . 1]" 1
614 1 113 ALA H 1 113 ALA MB 3.350 . 3.350 2.186 2.091 2.274 . 0 0 "[ . 1]" 1
615 1 113 ALA MB 1 114 GLU H 3.830 . 3.830 2.780 2.647 2.907 . 0 0 "[ . 1]" 1
616 1 114 GLU H 1 114 GLU HG2 4.090 . 4.090 3.114 2.307 4.032 . 0 0 "[ . 1]" 1
617 1 111 PHE HA 1 114 GLU H 4.670 . 4.670 3.219 3.137 3.341 . 0 0 "[ . 1]" 1
618 1 113 ALA H 1 114 GLU H 3.860 . 3.860 2.425 2.338 2.549 . 0 0 "[ . 1]" 1
619 1 114 GLU H 1 115 ASN HA 5.400 . 5.400 5.094 4.945 5.217 . 0 0 "[ . 1]" 1
620 1 114 GLU H 1 115 ASN H 3.610 . 3.610 2.416 2.224 2.605 . 0 0 "[ . 1]" 1
621 1 115 ASN H 1 116 GLY H 3.480 . 3.480 2.419 2.198 2.553 . 0 0 "[ . 1]" 1
622 1 115 ASN H 1 115 ASN HB3 4.090 . 4.090 3.486 2.789 3.809 . 0 0 "[ . 1]" 1
623 1 115 ASN H 1 115 ASN HB2 4.090 . 4.090 2.970 2.451 3.632 . 0 0 "[ . 1]" 1
624 1 112 ILE HA 1 115 ASN H 5.150 . 5.150 3.527 3.277 3.709 . 0 0 "[ . 1]" 1
625 1 112 ILE MG 1 116 GLY H 5.170 . 5.170 4.140 3.208 4.783 . 0 0 "[ . 1]" 1
626 1 117 LYS H 1 117 LYS HB3 3.980 . 3.980 2.929 2.475 3.489 . 0 0 "[ . 1]" 1
627 1 117 LYS H 1 117 LYS HB2 3.980 . 3.980 2.463 2.165 3.592 . 0 0 "[ . 1]" 1
628 1 117 LYS H 1 118 TYR H 3.820 . 3.820 2.434 2.382 2.567 . 0 0 "[ . 1]" 1
629 1 118 TYR H 1 119 LYS H 4.020 . 4.020 2.652 2.445 2.749 . 0 0 "[ . 1]" 1
630 1 118 TYR H 1 118 TYR QD 4.320 . 4.320 3.151 2.470 3.630 . 0 0 "[ . 1]" 1
631 1 119 LYS H 1 120 ALA H 4.090 . 4.090 2.364 2.217 2.736 . 0 0 "[ . 1]" 1
632 1 120 ALA H 1 120 ALA MB 3.390 . 3.390 2.628 2.272 2.909 . 0 0 "[ . 1]" 1
633 1 120 ALA HA 1 121 ALA H 3.330 . 3.330 2.299 2.140 2.711 . 0 0 "[ . 1]" 1
634 1 36 TRP HE1 1 71 THR MG 4.810 . 4.810 4.300 3.380 4.813 0.003 4 0 "[ . 1]" 1
635 1 35 PRO HD2 1 37 CYS H 4.740 . 4.740 4.131 4.033 4.319 . 0 0 "[ . 1]" 1
636 1 68 VAL HA 1 69 ASP H 3.480 . 3.480 2.310 2.273 2.345 . 0 0 "[ . 1]" 1
637 1 76 PRO HD2 1 77 ASP H 5.230 . 5.230 4.447 2.545 4.929 . 0 0 "[ . 1]" 1
638 1 76 PRO HD3 1 77 ASP H 5.230 . 5.230 4.921 4.047 5.157 . 0 0 "[ . 1]" 1
639 1 80 GLN H 1 81 GLY H 4.660 . 4.660 2.521 2.303 2.774 . 0 0 "[ . 1]" 1
640 1 105 VAL H 1 105 VAL MG1 3.450 . 3.450 2.512 2.272 2.664 . 0 0 "[ . 1]" 1
641 1 104 THR MG 1 105 VAL H 4.210 . 4.210 2.059 1.917 2.290 . 0 0 "[ . 1]" 1
642 1 115 ASN HA 1 115 ASN HD21 4.150 . 4.150 3.797 3.491 4.182 0.032 6 0 "[ . 1]" 1
643 1 40 CYS HA 1 43 LEU H 4.850 . 4.850 3.030 2.885 3.268 . 0 0 "[ . 1]" 1
644 1 51 GLY H 1 65 ILE MG 4.760 . 4.760 3.602 3.384 3.792 . 0 0 "[ . 1]" 1
645 1 51 GLY H 1 52 ALA H 3.950 . 3.950 2.699 2.637 2.851 . 0 0 "[ . 1]" 1
646 1 109 ILE MD 1 110 LYS H 5.360 . 5.360 4.104 2.957 4.277 . 0 0 "[ . 1]" 1
647 1 109 ILE MG 1 110 LYS H 4.350 . 4.350 1.910 1.891 1.996 . 0 0 "[ . 1]" 1
648 1 72 ALA MB 1 73 ASN HD22 4.680 . 4.680 4.297 4.168 4.542 . 0 0 "[ . 1]" 1
649 1 118 TYR HB2 1 119 LYS H 4.790 . 4.790 3.447 2.932 4.083 . 0 0 "[ . 1]" 1
650 1 33 TYR H 1 68 VAL MG1 4.630 . 4.630 3.888 3.553 4.008 . 0 0 "[ . 1]" 1
651 1 95 GLN H 1 95 GLN HE21 4.410 . 4.410 2.536 1.985 2.971 . 0 0 "[ . 1]" 1
652 1 73 ASN HD21 1 74 ASP H 5.610 . 5.610 5.334 5.180 5.511 . 0 0 "[ . 1]" 1
653 1 72 ALA MB 1 73 ASN HD21 4.530 . 4.530 3.541 3.397 4.058 . 0 0 "[ . 1]" 1
654 1 50 LEU H 1 52 ALA H 4.660 . 4.660 4.447 4.287 4.600 . 0 0 "[ . 1]" 1
655 1 50 LEU H 1 53 LEU H 4.900 . 4.900 4.875 4.829 4.907 0.007 3 0 "[ . 1]" 1
656 1 109 ILE MG 1 111 PHE H 4.920 . 4.920 4.163 4.057 4.342 . 0 0 "[ . 1]" 1
657 1 12 VAL HA 1 17 TYR H 4.350 . 4.350 3.727 3.539 4.032 . 0 0 "[ . 1]" 1
658 1 111 PHE HA 1 115 ASN HD22 4.670 . 4.670 3.454 3.032 4.217 . 0 0 "[ . 1]" 1
659 1 115 ASN HD22 1 116 GLY H 5.870 . 5.870 5.205 3.842 5.782 . 0 0 "[ . 1]" 1
660 1 112 ILE H 1 115 ASN HD22 5.900 . 5.900 4.989 3.074 5.877 . 0 0 "[ . 1]" 1
661 1 114 GLU H 1 115 ASN HD22 5.730 . 5.730 4.429 4.232 4.614 . 0 0 "[ . 1]" 1
662 1 115 ASN HD21 1 116 GLY H 4.340 . 4.340 4.293 3.939 4.363 0.023 3 0 "[ . 1]" 1
663 1 111 PHE HA 1 115 ASN HD21 4.390 . 4.390 3.195 2.628 4.091 . 0 0 "[ . 1]" 1
664 1 88 TYR HA 1 95 GLN HE21 4.940 . 4.940 3.908 3.792 4.060 . 0 0 "[ . 1]" 1
665 1 12 VAL HA 1 16 ASN HD21 4.570 . 4.570 4.144 3.896 4.461 . 0 0 "[ . 1]" 1
666 1 91 GLY H 1 92 ALA H 4.080 . 4.080 2.849 2.573 3.047 . 0 0 "[ . 1]" 1
667 1 92 ALA H 1 93 LYS HB3 5.070 . 5.070 4.346 4.043 4.668 . 0 0 "[ . 1]" 1
668 1 95 GLN H 1 95 GLN HE22 4.410 . 4.410 2.973 2.616 3.989 . 0 0 "[ . 1]" 1
669 1 99 TYR QD 1 102 SER H 5.600 . 5.600 5.410 5.202 5.600 0.000 5 0 "[ . 1]" 1
670 1 24 ASP HB2 1 91 GLY H 5.920 . 5.920 2.987 2.176 4.817 . 0 0 "[ . 1]" 1
671 1 24 ASP HB3 1 91 GLY H 5.920 . 5.920 3.190 2.732 4.234 . 0 0 "[ . 1]" 1
672 1 90 ALA HA 1 92 ALA H 5.180 . 5.180 3.744 3.583 3.885 . 0 0 "[ . 1]" 1
673 1 21 VAL H 1 23 ASP H 5.030 . 5.030 3.901 3.846 3.929 . 0 0 "[ . 1]" 1
674 1 24 ASP H 1 90 ALA MB 4.750 . 4.750 4.756 4.703 4.772 0.022 2 0 "[ . 1]" 1
675 1 41 LYS H 1 43 LEU HB2 5.520 . 5.520 5.067 4.917 5.156 . 0 0 "[ . 1]" 1
676 1 16 ASN HB3 1 16 ASN HD22 4.050 . 4.050 3.546 3.507 3.591 . 0 0 "[ . 1]" 1
677 1 16 ASN HD22 1 20 ILE MD 4.360 . 4.360 4.352 4.285 4.364 0.004 5 0 "[ . 1]" 1
678 1 104 THR H 1 107 ASP H 4.820 . 4.820 4.146 3.963 4.708 . 0 0 "[ . 1]" 1
679 1 17 TYR QD 1 18 ASN HD21 4.450 . 4.450 4.004 3.912 4.074 . 0 0 "[ . 1]" 1
680 1 17 TYR QD 1 18 ASN HD22 5.450 . 5.450 5.481 5.465 5.501 0.051 4 0 "[ . 1]" 1
681 1 18 ASN HD22 1 20 ILE H 5.500 . 5.500 5.272 5.134 5.330 . 0 0 "[ . 1]" 1
682 1 18 ASN HD21 1 20 ILE H 4.680 . 4.680 4.683 4.560 4.705 0.025 4 0 "[ . 1]" 1
683 1 54 TYR HB3 1 55 ALA H 4.620 . 4.620 3.004 2.573 3.195 . 0 0 "[ . 1]" 1
684 1 106 GLU HG2 1 108 LEU H 4.690 . 4.690 4.560 4.398 4.689 . 0 0 "[ . 1]" 1
685 1 50 LEU HB3 1 105 VAL H 6.000 . 6.000 6.011 6.006 6.015 0.015 1 0 "[ . 1]" 1
686 1 108 LEU H 1 109 ILE HB 5.470 . 5.470 5.110 5.023 5.281 . 0 0 "[ . 1]" 1
687 1 50 LEU MD1 1 55 ALA H 5.270 . 5.270 5.019 4.800 5.248 . 0 0 "[ . 1]" 1
688 1 8 PRO HB3 1 52 ALA H 4.880 . 4.880 3.756 2.704 4.883 0.003 2 0 "[ . 1]" 1
689 1 28 VAL MG1 1 30 ILE H 5.100 . 5.100 3.837 3.436 4.651 . 0 0 "[ . 1]" 1
690 1 120 ALA H 1 121 ALA H 4.730 . 4.730 3.999 3.313 4.536 . 0 0 "[ . 1]" 1
691 1 29 LEU H 1 30 ILE HA 4.910 . 4.910 4.709 4.582 4.920 0.010 7 0 "[ . 1]" 1
692 1 29 LEU H 1 66 ALA MB 4.890 . 4.890 3.377 3.100 3.506 . 0 0 "[ . 1]" 1
693 1 106 GLU H 1 107 ASP H 3.800 . 3.800 2.693 2.588 2.724 . 0 0 "[ . 1]" 1
694 1 114 GLU H 1 114 GLU HG3 4.090 . 4.090 3.213 2.401 3.702 . 0 0 "[ . 1]" 1
695 1 114 GLU H 1 115 ASN HD21 4.920 . 4.920 3.630 3.051 4.759 . 0 0 "[ . 1]" 1
696 1 107 ASP H 1 109 ILE H 4.760 . 4.760 4.352 4.200 4.485 . 0 0 "[ . 1]" 1
697 1 49 GLU H 1 52 ALA H 5.690 . 5.690 4.826 4.681 5.005 . 0 0 "[ . 1]" 1
698 1 42 ALA H 1 44 ALA H 4.520 . 4.520 4.119 4.069 4.211 . 0 0 "[ . 1]" 1
699 1 17 TYR H 1 20 ILE H 5.100 . 5.100 5.072 5.003 5.109 0.009 8 0 "[ . 1]" 1
700 1 47 TYR H 1 49 GLU H 4.840 . 4.840 4.055 3.976 4.103 . 0 0 "[ . 1]" 1
701 1 104 THR HB 1 106 GLU H 4.000 . 4.000 3.094 2.947 3.320 . 0 0 "[ . 1]" 1
702 1 71 THR H 1 72 ALA HA 4.370 . 4.370 4.293 4.205 4.347 . 0 0 "[ . 1]" 1
703 1 54 TYR H 1 56 LYS H 4.740 . 4.740 4.133 4.012 4.265 . 0 0 "[ . 1]" 1
704 1 84 THR HA 1 85 ILE H 3.400 . 3.400 2.199 2.146 2.223 . 0 0 "[ . 1]" 1
705 1 89 PRO HA 1 90 ALA H 3.520 . 3.520 2.209 2.160 2.265 . 0 0 "[ . 1]" 1
706 1 89 PRO HA 1 117 LYS H 5.450 . 5.450 4.509 4.075 4.955 . 0 0 "[ . 1]" 1
707 1 104 THR HB 1 105 VAL H 3.900 . 3.900 3.576 3.351 3.796 . 0 0 "[ . 1]" 1
708 1 104 THR HB 1 107 ASP H 4.470 . 4.470 2.887 2.564 3.088 . 0 0 "[ . 1]" 1
709 1 24 ASP HA 1 91 GLY H 4.380 . 4.380 2.184 1.980 2.553 . 0 0 "[ . 1]" 1
710 1 16 ASN HD21 1 18 ASN HD21 5.540 . 5.540 5.539 5.531 5.542 0.002 3 0 "[ . 1]" 1
711 1 88 TYR HA 1 94 GLY H 5.040 . 5.040 4.737 4.451 4.938 . 0 0 "[ . 1]" 1
712 1 94 GLY H 1 95 GLN HA 5.490 . 5.490 4.804 4.784 4.850 . 0 0 "[ . 1]" 1
713 1 57 SER HA 1 58 GLU H 3.030 . 3.030 2.639 2.548 2.671 . 0 0 "[ . 1]" 1
714 1 29 LEU HA 1 88 TYR H 4.710 . 4.710 3.449 3.208 3.739 . 0 0 "[ . 1]" 1
715 1 34 ALA MB 1 38 GLY H 5.150 . 5.150 4.908 4.681 5.136 . 0 0 "[ . 1]" 1
716 1 37 CYS HB2 1 38 GLY H 5.090 . 5.090 3.864 3.796 3.915 . 0 0 "[ . 1]" 1
717 1 73 ASN H 1 75 VAL H 5.970 . 5.970 5.252 4.899 5.774 . 0 0 "[ . 1]" 1
718 1 46 LYS H 1 47 TYR HB2 4.890 . 4.890 4.422 4.282 4.505 . 0 0 "[ . 1]" 1
719 1 55 ALA HA 1 65 ILE H 5.740 . 5.740 5.226 4.720 5.667 . 0 0 "[ . 1]" 1
720 1 34 ALA MB 1 82 PHE QE 5.110 . 5.110 3.426 3.200 3.718 . 0 0 "[ . 1]" 1
721 1 30 ILE HG12 1 32 PHE QD 4.120 . 4.120 3.920 3.718 4.095 . 0 0 "[ . 1]" 1
722 1 79 ILE MD 1 82 PHE QD 5.770 . 5.770 4.605 4.384 4.754 . 0 0 "[ . 1]" 1
723 1 17 TYR QD 1 30 ILE MG 4.530 . 4.530 3.598 3.233 3.857 . 0 0 "[ . 1]" 1
724 1 71 THR MG 1 72 ALA H 5.210 . 5.210 4.134 4.074 4.163 . 0 0 "[ . 1]" 1
725 1 54 TYR QD 1 65 ILE HG13 4.300 . 4.300 3.860 3.493 4.150 . 0 0 "[ . 1]" 1
726 1 90 ALA MB 1 118 TYR QE 3.810 . 3.810 2.190 1.872 2.979 . 0 0 "[ . 1]" 1
727 1 12 VAL MG1 1 17 TYR QD 4.040 . 4.040 3.538 3.474 3.663 . 0 0 "[ . 1]" 1
728 1 54 TYR QD 1 63 VAL MG2 4.300 . 4.300 3.763 2.277 4.306 0.006 2 0 "[ . 1]" 1
729 1 79 ILE HG13 1 81 GLY H 4.610 . 4.610 4.108 3.590 4.593 . 0 0 "[ . 1]" 1
730 1 54 TYR QD 1 109 ILE MD 4.800 . 4.800 3.523 3.006 4.563 . 0 0 "[ . 1]" 1
731 1 32 PHE QD 1 68 VAL MG1 3.710 . 3.710 2.768 2.469 2.950 . 0 0 "[ . 1]" 1
732 1 88 TYR QD 1 93 LYS HB3 4.650 . 4.650 3.168 2.524 3.658 . 0 0 "[ . 1]" 1
733 1 70 ALA MB 1 82 PHE QE 3.780 . 3.780 1.901 1.821 2.191 . 0 0 "[ . 1]" 1
734 1 54 TYR QD 1 65 ILE HG12 4.200 . 4.200 3.473 2.944 4.078 . 0 0 "[ . 1]" 1
735 1 36 TRP HB3 1 36 TRP HE3 4.060 . 4.060 2.501 2.402 3.126 . 0 0 "[ . 1]" 1
736 1 118 TYR HB3 1 119 LYS H 4.790 . 4.790 3.834 3.387 4.315 . 0 0 "[ . 1]" 1
737 1 118 TYR HA 1 118 TYR QD 3.630 . 3.630 2.367 1.993 2.706 . 0 0 "[ . 1]" 1
738 1 82 PHE QD 1 84 THR HB 4.570 . 4.570 4.725 4.695 4.753 0.183 5 0 "[ . 1]" 1
739 1 14 ALA HA 1 17 TYR QD 4.050 . 4.050 1.932 1.851 2.001 . 0 0 "[ . 1]" 1
740 1 26 LYS HA 1 118 TYR QE 3.760 . 3.760 2.877 2.385 3.759 . 0 0 "[ . 1]" 1
741 1 82 PHE HA 1 82 PHE QD 3.740 . 3.740 2.385 2.232 2.585 . 0 0 "[ . 1]" 1
742 1 88 TYR HA 1 95 GLN HE22 4.940 . 4.940 3.939 3.424 4.561 . 0 0 "[ . 1]" 1
743 1 88 TYR HA 1 88 TYR QD 4.580 . 4.580 2.600 2.334 2.822 . 0 0 "[ . 1]" 1
744 1 32 PHE HA 1 32 PHE QD 4.300 . 4.300 2.590 2.477 2.781 . 0 0 "[ . 1]" 1
745 1 33 TYR QD 1 44 ALA H 4.150 . 4.150 4.068 3.852 4.158 0.008 9 0 "[ . 1]" 1
746 1 73 ASN H 1 73 ASN HD22 4.030 . 4.030 3.245 3.014 3.610 . 0 0 "[ . 1]" 1
747 1 42 ALA H 1 43 LEU H 3.770 . 3.770 2.406 2.325 2.532 . 0 0 "[ . 1]" 1
748 1 115 ASN H 1 115 ASN HD21 3.890 . 3.890 2.249 1.971 2.896 . 0 0 "[ . 1]" 1
749 1 34 ALA MB 1 36 TRP HZ2 5.070 . 5.070 3.807 3.252 4.493 . 0 0 "[ . 1]" 1
750 1 22 LEU H 1 22 LEU MD2 4.890 . 4.890 3.691 3.622 3.745 . 0 0 "[ . 1]" 1
751 1 17 TYR H 1 20 ILE MG 5.590 . 5.590 5.030 4.857 5.136 . 0 0 "[ . 1]" 1
752 1 20 ILE MG 1 22 LEU H 5.600 . 5.600 5.463 5.421 5.570 . 0 0 "[ . 1]" 1
753 1 32 PHE QD 1 79 ILE MG 5.530 . 5.530 4.800 4.594 4.977 . 0 0 "[ . 1]" 1
754 1 79 ILE MD 1 82 PHE QE 4.940 . 4.940 4.894 4.648 4.958 0.018 9 0 "[ . 1]" 1
755 1 21 VAL MG2 1 22 LEU H 4.780 . 4.780 1.891 1.858 1.916 . 0 0 "[ . 1]" 1
756 1 85 ILE HB 1 99 TYR QD 6.000 . 6.000 2.731 2.387 2.937 . 0 0 "[ . 1]" 1
757 1 87 LEU HB2 1 111 PHE QD 5.570 . 5.570 4.953 4.556 5.333 . 0 0 "[ . 1]" 1
758 1 54 TYR HB3 1 56 LYS H 6.000 . 6.000 5.081 4.821 5.258 . 0 0 "[ . 1]" 1
759 1 31 GLU HA 1 32 PHE QD 5.350 . 5.350 4.286 4.068 4.450 . 0 0 "[ . 1]" 1
760 1 62 ARG HA 1 118 TYR QE 5.180 . 5.180 3.648 2.423 4.786 . 0 0 "[ . 1]" 1
761 1 118 TYR HA 1 118 TYR QE 5.790 . 5.790 4.290 4.151 4.447 . 0 0 "[ . 1]" 1
762 1 26 LYS HA 1 118 TYR QD 6.000 . 6.000 4.376 3.912 4.788 . 0 0 "[ . 1]" 1
763 1 32 PHE QD 1 70 ALA MB 3.920 . 3.920 2.691 2.324 3.238 . 0 0 "[ . 1]" 1
764 1 79 ILE HG12 1 81 GLY H 4.610 . 4.610 3.629 3.185 4.370 . 0 0 "[ . 1]" 1
765 1 97 VAL MG1 1 111 PHE QD 5.160 . 5.160 3.924 3.769 4.011 . 0 0 "[ . 1]" 1
766 1 50 LEU MD1 1 54 TYR QD 4.520 . 4.520 2.681 1.953 3.199 . 0 0 "[ . 1]" 1
767 1 21 VAL MG1 1 88 TYR QD 4.550 . 4.550 2.355 1.975 2.884 . 0 0 "[ . 1]" 1
768 1 43 LEU MD1 1 47 TYR QD 4.230 . 4.230 2.442 1.926 4.243 0.013 8 0 "[ . 1]" 1
769 1 54 TYR QE 1 63 VAL MG2 4.800 . 4.800 2.729 2.135 3.514 . 0 0 "[ . 1]" 1
770 1 85 ILE MD 1 99 TYR QE 3.970 . 3.970 3.402 2.716 3.980 0.010 10 0 "[ . 1]" 1
771 1 12 VAL MG2 1 66 ALA HA 3.970 . 3.970 3.477 3.246 3.625 . 0 0 "[ . 1]" 1
772 1 30 ILE HA 1 66 ALA MB 4.300 . 4.300 2.689 2.532 2.832 . 0 0 "[ . 1]" 1
773 1 31 GLU HA 1 68 VAL MG1 4.680 . 4.680 4.215 3.951 4.382 . 0 0 "[ . 1]" 1
774 1 88 TYR HA 1 93 LYS HB3 3.920 . 3.920 3.944 3.928 3.964 0.044 6 0 "[ . 1]" 1
775 1 47 TYR HA 1 50 LEU HB3 4.430 . 4.430 2.958 2.717 3.206 . 0 0 "[ . 1]" 1
776 1 12 VAL HB 1 68 VAL HA 5.100 . 5.100 4.412 3.990 4.666 . 0 0 "[ . 1]" 1
777 1 70 ALA MB 1 71 THR HA 5.200 . 5.200 4.202 4.180 4.238 . 0 0 "[ . 1]" 1
778 1 12 VAL HA 1 20 ILE MD 3.690 . 3.690 2.996 2.877 3.141 . 0 0 "[ . 1]" 1
779 1 43 LEU HA 1 43 LEU MD2 3.880 . 3.880 2.070 1.956 2.206 . 0 0 "[ . 1]" 1
780 1 9 VAL HA 1 65 ILE MG 5.230 . 5.230 4.624 3.824 5.147 . 0 0 "[ . 1]" 1
781 1 22 LEU HA 1 22 LEU MD2 3.620 . 3.620 2.059 1.945 2.196 . 0 0 "[ . 1]" 1
782 1 17 TYR HA 1 21 VAL MG1 4.230 . 4.230 3.014 2.926 3.088 . 0 0 "[ . 1]" 1
783 1 51 GLY HA2 1 65 ILE HG13 3.970 . 3.970 2.028 1.976 2.128 . 0 0 "[ . 1]" 1
784 1 17 TYR HA 1 20 ILE MD 4.090 . 4.090 2.112 1.968 2.211 . 0 0 "[ . 1]" 1
785 1 32 PHE HB2 1 84 THR MG 4.740 . 4.740 2.175 1.942 2.516 . 0 0 "[ . 1]" 1
786 1 77 ASP HB2 1 79 ILE MD 4.820 . 4.820 3.147 2.261 4.724 . 0 0 "[ . 1]" 1
787 1 43 LEU MD2 1 83 PRO HB3 5.660 . 5.660 3.417 3.011 4.752 . 0 0 "[ . 1]" 1
788 1 112 ILE HB 1 112 ILE MD 3.540 . 3.540 2.177 2.023 2.294 . 0 0 "[ . 1]" 1
789 1 77 ASP HB3 1 79 ILE MD 4.820 . 4.820 3.828 2.468 4.611 . 0 0 "[ . 1]" 1
790 1 35 PRO HG2 1 36 TRP HB3 4.420 . 4.420 3.627 3.449 3.813 . 0 0 "[ . 1]" 1
791 1 88 TYR HB3 1 89 PRO HD3 5.060 . 5.060 4.796 4.432 4.911 . 0 0 "[ . 1]" 1
792 1 51 GLY HA2 1 65 ILE HB 4.270 . 4.270 2.548 2.338 2.794 . 0 0 "[ . 1]" 1
793 1 54 TYR HB3 1 65 ILE HG12 4.550 . 4.550 2.786 2.369 3.080 . 0 0 "[ . 1]" 1
794 1 86 LYS HE3 1 98 THR MG 4.510 . 4.510 3.363 1.936 4.502 . 0 0 "[ . 1]" 1
795 1 43 LEU MD2 1 46 LYS HB3 6.370 . 6.370 3.973 3.207 4.403 . 0 0 "[ . 1]" 1
796 1 50 LEU HB3 1 105 VAL MG2 5.110 . 5.110 3.727 3.517 3.898 . 0 0 "[ . 1]" 1
797 1 12 VAL MG1 1 17 TYR HB3 4.590 . 4.590 2.251 2.146 2.444 . 0 0 "[ . 1]" 1
798 1 29 LEU HG 1 65 ILE MD 4.270 . 4.270 3.515 2.817 4.070 . 0 0 "[ . 1]" 1
799 1 79 ILE MG 1 84 THR MG 4.210 . 4.210 2.318 1.827 2.860 . 0 0 "[ . 1]" 1
800 1 79 ILE MG 1 98 THR MG 4.440 . 4.440 2.139 1.841 2.527 . 0 0 "[ . 1]" 1
801 1 21 VAL MG2 1 30 ILE MD 5.050 . 5.050 4.824 4.567 5.031 . 0 0 "[ . 1]" 1
802 1 50 LEU MD2 1 65 ILE MD 4.550 . 4.550 2.454 1.990 2.744 . 0 0 "[ . 1]" 1
803 1 43 LEU MD2 1 47 TYR QE 4.670 . 4.670 4.270 2.618 4.677 0.007 3 0 "[ . 1]" 1
804 1 54 TYR QE 1 63 VAL HB 4.420 . 4.420 2.883 1.998 3.830 . 0 0 "[ . 1]" 1
805 1 33 TYR QE 1 44 ALA MB 4.360 . 4.360 2.281 2.040 2.659 . 0 0 "[ . 1]" 1
806 1 17 TYR QE 1 22 LEU MD2 5.490 . 5.490 5.478 5.394 5.498 0.008 2 0 "[ . 1]" 1
807 1 88 TYR QE 1 93 LYS HA 5.120 . 5.120 4.709 4.072 5.128 0.008 4 0 "[ . 1]" 1
808 1 17 TYR QE 1 75 VAL HA 3.860 . 3.860 3.676 3.166 3.876 0.016 5 0 "[ . 1]" 1
809 1 16 ASN HD21 1 17 TYR HA 4.210 . 4.210 4.126 4.058 4.218 0.008 9 0 "[ . 1]" 1
810 1 88 TYR QE 1 93 LYS HB2 6.000 . 6.000 3.975 3.160 4.590 . 0 0 "[ . 1]" 1
811 1 104 THR H 1 106 GLU HG2 6.000 . 6.000 4.634 4.306 5.414 . 0 0 "[ . 1]" 1
812 1 33 TYR QD 1 69 ASP HA 6.000 . 6.000 3.830 3.488 4.129 . 0 0 "[ . 1]" 1
813 1 43 LEU HA 1 47 TYR QD 5.760 . 5.760 4.200 4.068 4.428 . 0 0 "[ . 1]" 1
814 1 32 PHE HA 1 33 TYR QD 5.490 . 5.490 3.371 3.206 3.640 . 0 0 "[ . 1]" 1
815 1 25 THR HA 1 118 TYR QE 5.490 . 5.490 4.388 3.708 5.079 . 0 0 "[ . 1]" 1
816 1 60 LYS H 1 61 ASP HA 5.550 . 5.550 5.223 5.136 5.314 . 0 0 "[ . 1]" 1
817 1 30 ILE HG12 1 32 PHE HZ 5.450 . 5.450 4.511 4.365 4.652 . 0 0 "[ . 1]" 1
818 1 77 ASP H 1 79 ILE MD 5.690 . 5.690 4.899 4.575 5.213 . 0 0 "[ . 1]" 1
819 1 33 TYR QD 1 43 LEU H 5.300 . 5.300 5.122 4.871 5.300 . 0 0 "[ . 1]" 1
820 1 82 PHE QD 1 83 PRO HA 4.560 . 4.560 4.765 4.734 4.789 0.229 2 0 "[ . 1]" 1
821 1 99 TYR QD 1 101 GLY H 5.090 . 5.090 3.652 3.477 3.802 . 0 0 "[ . 1]" 1
822 1 47 TYR QD 1 67 LYS HB2 4.770 . 4.770 3.764 2.929 4.334 . 0 0 "[ . 1]" 1
823 1 33 TYR QD 1 43 LEU HB3 4.050 . 4.050 3.771 3.452 3.986 . 0 0 "[ . 1]" 1
824 1 43 LEU MD1 1 47 TYR QE 4.670 . 4.670 2.947 2.557 4.293 . 0 0 "[ . 1]" 1
825 1 85 ILE MG 1 99 TYR QE 4.050 . 4.050 2.997 2.506 3.306 . 0 0 "[ . 1]" 1
826 1 16 ASN HD21 1 20 ILE MD 3.670 . 3.670 3.086 3.010 3.190 . 0 0 "[ . 1]" 1
827 1 54 TYR QE 1 109 ILE MD 3.940 . 3.940 2.441 1.869 3.460 . 0 0 "[ . 1]" 1
828 1 47 TYR QE 1 65 ILE MG 3.840 . 3.840 2.017 1.863 2.189 . 0 0 "[ . 1]" 1
829 1 10 THR HB 1 66 ALA HA 3.800 . 3.800 2.208 1.979 2.941 . 0 0 "[ . 1]" 1
830 1 86 LYS HA 1 98 THR HA 3.630 . 3.630 3.376 3.151 3.615 . 0 0 "[ . 1]" 1
831 1 87 LEU HG 1 99 TYR HH 4.550 . 4.550 2.956 2.425 3.286 . 0 0 "[ . 1]" 1
832 1 33 TYR QD 1 68 VAL MG1 5.450 . 5.450 4.261 3.818 4.634 . 0 0 "[ . 1]" 1
833 1 87 LEU MD1 1 99 TYR QE 4.510 . 4.510 4.455 4.314 4.517 0.007 4 0 "[ . 1]" 1
834 1 17 TYR QE 1 22 LEU HG 5.290 . 5.290 5.310 5.299 5.317 0.027 4 0 "[ . 1]" 1
835 1 47 TYR QD 1 67 LYS HB3 4.770 . 4.770 2.813 2.079 4.675 . 0 0 "[ . 1]" 1
836 1 17 TYR QE 1 75 VAL HB 4.930 . 4.930 4.797 4.364 4.956 0.026 9 0 "[ . 1]" 1
837 1 47 TYR QE 1 65 ILE HB 5.560 . 5.560 4.375 3.946 4.679 . 0 0 "[ . 1]" 1
838 1 54 TYR QE 1 112 ILE HB 5.820 . 5.820 4.411 3.883 4.947 . 0 0 "[ . 1]" 1
839 1 70 ALA MB 1 72 ALA H 4.750 . 4.750 4.579 4.511 4.634 . 0 0 "[ . 1]" 1
840 1 17 TYR QD 1 20 ILE HG12 5.470 . 5.470 4.566 4.482 4.656 . 0 0 "[ . 1]" 1
841 1 53 LEU HB3 1 54 TYR QD 5.810 . 5.810 4.321 3.720 5.398 . 0 0 "[ . 1]" 1
842 1 72 ALA H 1 73 ASN H 4.680 . 4.680 4.498 4.480 4.528 . 0 0 "[ . 1]" 1
843 1 86 LYS HA 1 98 THR MG 4.610 . 4.610 4.089 3.470 4.610 . 0 0 "[ . 1]" 1
844 1 27 ASP HB3 1 63 VAL HA 4.740 . 4.740 2.716 2.299 3.569 . 0 0 "[ . 1]" 1
845 1 41 LYS HA 1 43 LEU H 4.760 . 4.760 4.108 3.864 4.191 . 0 0 "[ . 1]" 1
846 1 41 LYS HA 1 44 ALA H 4.780 . 4.780 3.767 3.664 3.903 . 0 0 "[ . 1]" 1
847 1 54 TYR HA 1 54 TYR QD 3.830 . 3.830 2.298 2.022 2.731 . 0 0 "[ . 1]" 1
848 1 54 TYR HA 1 54 TYR QE 5.160 . 5.160 4.207 4.104 4.381 . 0 0 "[ . 1]" 1
849 1 17 TYR HA 1 17 TYR QD 4.260 . 4.260 3.464 3.397 3.510 . 0 0 "[ . 1]" 1
850 1 120 ALA MB 1 121 ALA H 4.310 . 4.310 3.042 2.009 3.606 . 0 0 "[ . 1]" 1
851 1 29 LEU MD1 1 54 TYR QD 4.890 . 4.890 3.815 3.383 4.150 . 0 0 "[ . 1]" 1
852 1 43 LEU HG 1 47 TYR QD 4.730 . 4.730 4.635 4.457 4.738 0.008 4 0 "[ . 1]" 1
853 1 16 ASN HD21 1 20 ILE HG12 4.350 . 4.350 3.634 3.456 3.734 . 0 0 "[ . 1]" 1
854 1 87 LEU HB2 1 99 TYR QE 4.790 . 4.790 2.447 2.084 2.816 . 0 0 "[ . 1]" 1
855 1 97 VAL MG1 1 99 TYR QE 4.440 . 4.440 2.886 2.326 3.514 . 0 0 "[ . 1]" 1
856 1 30 ILE HA 1 31 GLU HB3 5.000 . 5.000 4.796 4.576 5.051 0.051 10 0 "[ . 1]" 1
857 1 24 ASP HA 1 90 ALA MB 3.770 . 3.770 2.950 2.782 3.242 . 0 0 "[ . 1]" 1
858 1 71 THR HA 1 71 THR MG 3.670 . 3.670 2.630 2.607 2.646 . 0 0 "[ . 1]" 1
859 1 29 LEU HG 1 65 ILE HA 4.460 . 4.460 3.683 3.097 4.328 . 0 0 "[ . 1]" 1
860 1 10 THR HA 1 10 THR MG 3.740 . 3.740 2.394 2.241 2.459 . 0 0 "[ . 1]" 1
861 1 12 VAL HA 1 17 TYR HB3 4.390 . 4.390 4.188 3.864 4.333 . 0 0 "[ . 1]" 1
862 1 22 LEU HA 1 22 LEU MD1 4.450 . 4.450 3.840 3.823 3.864 . 0 0 "[ . 1]" 1
863 1 11 VAL HA 1 11 VAL MG1 3.630 . 3.630 2.836 2.209 3.207 . 0 0 "[ . 1]" 1
864 1 65 ILE MD 1 109 ILE HA 5.010 . 5.010 4.943 4.714 5.016 0.006 9 0 "[ . 1]" 1
865 1 44 ALA MB 1 45 PRO HD2 3.910 . 3.910 2.364 2.230 2.482 . 0 0 "[ . 1]" 1
866 1 17 TYR HA 1 20 ILE HG12 3.890 . 3.890 2.035 1.964 2.059 . 0 0 "[ . 1]" 1
867 1 51 GLY HA2 1 65 ILE MG 4.130 . 4.130 2.881 2.640 3.142 . 0 0 "[ . 1]" 1
868 1 50 LEU MD1 1 54 TYR HB2 4.340 . 4.340 2.266 2.073 2.440 . 0 0 "[ . 1]" 1
869 1 21 VAL HB 1 88 TYR HB3 4.610 . 4.610 3.216 2.845 3.490 . 0 0 "[ . 1]" 1
870 1 17 TYR HB2 1 30 ILE MG 4.270 . 4.270 3.955 3.741 4.176 . 0 0 "[ . 1]" 1
871 1 18 ASN HB2 1 22 LEU HG 4.840 . 4.840 3.996 3.912 4.085 . 0 0 "[ . 1]" 1
872 1 104 THR MG 1 106 GLU HG2 4.510 . 4.510 2.207 1.956 2.668 . 0 0 "[ . 1]" 1
873 1 50 LEU HB3 1 105 VAL MG1 3.780 . 3.780 2.151 2.005 2.416 . 0 0 "[ . 1]" 1
874 1 34 ALA MB 1 37 CYS HB2 4.180 . 4.180 2.111 1.958 2.479 . 0 0 "[ . 1]" 1
875 1 105 VAL HA 1 105 VAL MG1 3.670 . 3.670 2.202 2.116 2.333 . 0 0 "[ . 1]" 1
876 1 54 TYR HB2 1 65 ILE HG13 4.780 . 4.780 3.059 2.762 3.317 . 0 0 "[ . 1]" 1
877 1 18 ASN HB2 1 22 LEU MD1 4.560 . 4.560 2.729 2.572 2.881 . 0 0 "[ . 1]" 1
878 1 12 VAL MG1 1 17 TYR HB2 3.580 . 3.580 1.882 1.829 1.962 . 0 0 "[ . 1]" 1
879 1 12 VAL MG1 1 30 ILE MD 4.280 . 4.280 1.823 1.765 1.931 0.035 9 0 "[ . 1]" 1
880 1 30 ILE MD 1 68 VAL MG1 3.540 . 3.540 1.889 1.851 1.960 . 0 0 "[ . 1]" 1
881 1 29 LEU MD1 1 65 ILE MD 3.530 . 3.530 1.795 1.783 1.813 0.017 10 0 "[ . 1]" 1
882 1 12 VAL MG1 1 30 ILE HG12 4.820 . 4.820 3.764 3.615 3.876 . 0 0 "[ . 1]" 1
883 1 30 ILE HG12 1 68 VAL MG1 4.490 . 4.490 2.016 1.831 2.110 . 0 0 "[ . 1]" 1
884 1 12 VAL MG1 1 21 VAL MG1 3.890 . 3.890 3.408 3.328 3.523 . 0 0 "[ . 1]" 1
885 1 8 PRO HB3 1 52 ALA HA 4.170 . 4.170 2.437 1.985 3.279 . 0 0 "[ . 1]" 1
886 1 87 LEU HB3 1 88 TYR HA 4.240 . 4.240 4.238 4.195 4.255 0.015 10 0 "[ . 1]" 1
887 1 18 ASN HA 1 22 LEU HG 4.080 . 4.080 3.320 3.205 3.491 . 0 0 "[ . 1]" 1
888 1 22 LEU HA 1 22 LEU HG 4.130 . 4.130 2.921 2.897 2.935 . 0 0 "[ . 1]" 1
889 1 106 GLU HA 1 109 ILE MG 4.060 . 4.060 2.155 1.847 2.251 . 0 0 "[ . 1]" 1
890 1 97 VAL HA 1 97 VAL MG2 3.590 . 3.590 2.468 2.368 2.512 . 0 0 "[ . 1]" 1
891 1 11 VAL HA 1 12 VAL MG2 3.560 . 3.560 3.255 3.059 3.454 . 0 0 "[ . 1]" 1
892 1 109 ILE HA 1 112 ILE MD 3.760 . 3.760 1.898 1.836 1.961 . 0 0 "[ . 1]" 1
893 1 30 ILE HG13 1 68 VAL HA 5.330 . 5.330 5.271 5.035 5.349 0.019 9 0 "[ . 1]" 1
894 1 88 TYR HB3 1 89 PRO HD2 4.310 . 4.310 4.122 4.009 4.324 0.014 2 0 "[ . 1]" 1
895 1 21 VAL HA 1 88 TYR HB3 3.830 . 3.830 2.807 2.709 2.931 . 0 0 "[ . 1]" 1
896 1 32 PHE HB3 1 84 THR HB 4.320 . 4.320 3.424 2.997 3.734 . 0 0 "[ . 1]" 1
897 1 106 GLU HA 1 106 GLU HG2 3.940 . 3.940 3.652 3.600 3.700 . 0 0 "[ . 1]" 1
898 1 51 GLY HA3 1 65 ILE HB 4.340 . 4.340 3.195 3.085 3.323 . 0 0 "[ . 1]" 1
899 1 109 ILE HA 1 112 ILE HB 4.210 . 4.210 2.970 2.838 3.324 . 0 0 "[ . 1]" 1
900 1 89 PRO HD2 1 93 LYS HB3 4.450 . 4.450 3.591 3.311 3.723 . 0 0 "[ . 1]" 1
901 1 21 VAL HA 1 28 VAL HB 4.040 . 4.040 2.606 2.278 2.842 . 0 0 "[ . 1]" 1
902 1 33 TYR HB3 1 43 LEU HB3 4.550 . 4.550 2.895 2.724 3.093 . 0 0 "[ . 1]" 1
903 1 12 VAL HB 1 17 TYR HB3 4.820 . 4.820 4.272 3.674 4.583 . 0 0 "[ . 1]" 1
904 1 14 ALA MB 1 17 TYR HB3 5.320 . 5.320 4.951 4.801 5.209 . 0 0 "[ . 1]" 1
905 1 27 ASP HB2 1 63 VAL HB 4.920 . 4.920 4.418 2.972 4.924 0.004 7 0 "[ . 1]" 1
906 1 54 TYR HB2 1 65 ILE HG12 4.810 . 4.810 3.729 3.498 4.055 . 0 0 "[ . 1]" 1
907 1 53 LEU HB3 1 54 TYR HB2 4.410 . 4.410 4.218 3.986 4.318 . 0 0 "[ . 1]" 1
908 1 17 TYR HB2 1 20 ILE HG12 4.520 . 4.520 4.109 4.047 4.156 . 0 0 "[ . 1]" 1
909 1 17 TYR HB3 1 20 ILE HG12 4.740 . 4.740 4.757 4.698 4.771 0.031 2 0 "[ . 1]" 1
910 1 50 LEU HB2 1 54 TYR HB2 5.290 . 5.290 5.292 5.286 5.297 0.007 10 0 "[ . 1]" 1
911 1 18 ASN HB3 1 22 LEU HG 6.000 . 6.000 5.318 5.251 5.436 . 0 0 "[ . 1]" 1
912 1 17 TYR HB2 1 20 ILE HG13 4.520 . 4.520 4.295 4.238 4.361 . 0 0 "[ . 1]" 1
913 1 32 PHE HB3 1 84 THR MG 4.740 . 4.740 3.595 3.375 3.895 . 0 0 "[ . 1]" 1
914 1 84 THR MG 1 86 LYS HE2 5.030 . 5.030 3.729 2.920 4.746 . 0 0 "[ . 1]" 1
915 1 18 ASN HB2 1 22 LEU HB2 5.370 . 5.370 5.099 4.981 5.294 . 0 0 "[ . 1]" 1
916 1 88 TYR HB2 1 93 LYS HB3 5.690 . 5.690 5.049 4.879 5.339 . 0 0 "[ . 1]" 1
917 1 108 LEU HA 1 111 PHE HB2 4.060 . 4.060 3.009 2.699 3.212 . 0 0 "[ . 1]" 1
918 1 87 LEU HG 1 97 VAL HB 4.670 . 4.670 4.152 4.001 4.266 . 0 0 "[ . 1]" 1
919 1 30 ILE MD 1 68 VAL HB 4.490 . 4.490 3.238 2.878 3.414 . 0 0 "[ . 1]" 1
920 1 13 VAL MG1 1 15 LYS HB3 5.590 . 5.590 4.127 3.534 4.871 . 0 0 "[ . 1]" 1
921 1 30 ILE HG13 1 68 VAL HB 4.640 . 4.640 3.159 2.751 3.292 . 0 0 "[ . 1]" 1
922 1 50 LEU HG 1 65 ILE MD 4.550 . 4.550 2.570 2.129 2.860 . 0 0 "[ . 1]" 1
923 1 12 VAL HB 1 30 ILE MD 4.600 . 4.600 2.350 2.098 2.759 . 0 0 "[ . 1]" 1
924 1 12 VAL MG2 1 66 ALA MB 3.740 . 3.740 1.839 1.785 1.917 0.015 2 0 "[ . 1]" 1
925 1 87 LEU HB2 1 97 VAL HB 4.450 . 4.450 2.093 1.972 2.279 . 0 0 "[ . 1]" 1
926 1 70 ALA MB 1 84 THR MG 5.970 . 5.970 4.370 4.227 4.567 . 0 0 "[ . 1]" 1
927 1 47 TYR QE 1 67 LYS HA 4.700 . 4.700 3.564 3.255 4.143 . 0 0 "[ . 1]" 1
928 1 31 GLU HB2 1 85 ILE HA 5.430 . 5.430 3.963 3.701 4.129 . 0 0 "[ . 1]" 1
929 1 27 ASP HA 1 90 ALA MB 4.890 . 4.890 2.878 2.511 3.438 . 0 0 "[ . 1]" 1
930 1 34 ALA MB 1 37 CYS HB3 4.650 . 4.650 3.384 3.115 3.770 . 0 0 "[ . 1]" 1
931 1 27 ASP HB3 1 63 VAL HB 4.920 . 4.920 4.163 3.105 4.744 . 0 0 "[ . 1]" 1
932 1 20 ILE HB 1 21 VAL HA 5.060 . 5.060 4.305 4.273 4.345 . 0 0 "[ . 1]" 1
933 1 89 PRO HD2 1 92 ALA MB 4.610 . 4.610 4.385 3.867 4.613 0.003 6 0 "[ . 1]" 1
934 1 50 LEU MD2 1 105 VAL HA 5.250 . 5.250 3.021 2.825 3.143 . 0 0 "[ . 1]" 1
935 1 54 TYR HB2 1 65 ILE MD 5.280 . 5.280 3.248 2.854 3.591 . 0 0 "[ . 1]" 1
936 1 21 VAL MG1 1 88 TYR HB3 5.490 . 5.490 3.840 3.645 4.122 . 0 0 "[ . 1]" 1
937 1 72 ALA MB 1 73 ASN HA 5.090 . 5.090 4.024 3.973 4.070 . 0 0 "[ . 1]" 1
938 1 12 VAL MG2 1 68 VAL HA 4.900 . 4.900 4.106 3.158 4.682 . 0 0 "[ . 1]" 1
939 1 47 TYR HA 1 50 LEU MD2 5.830 . 5.830 3.746 3.486 4.101 . 0 0 "[ . 1]" 1
940 1 47 TYR HA 1 105 VAL MG1 6.000 . 6.000 2.906 2.585 3.294 . 0 0 "[ . 1]" 1
941 1 29 LEU HA 1 65 ILE MD 6.000 . 6.000 5.582 5.351 5.791 . 0 0 "[ . 1]" 1
942 1 29 LEU HA 1 87 LEU HG 6.000 . 6.000 5.948 5.810 6.015 0.015 7 0 "[ . 1]" 1
943 1 30 ILE HG12 1 31 GLU HA 5.140 . 5.140 3.903 3.717 4.014 . 0 0 "[ . 1]" 1
944 1 87 LEU HB2 1 88 TYR HA 6.000 . 6.000 5.569 5.486 5.601 . 0 0 "[ . 1]" 1
945 1 47 TYR HA 1 65 ILE MG 5.070 . 5.070 3.615 3.346 3.813 . 0 0 "[ . 1]" 1
946 1 44 ALA MB 1 45 PRO HA 4.600 . 4.600 3.726 3.687 3.775 . 0 0 "[ . 1]" 1
947 1 45 PRO HD2 1 47 TYR HB2 6.000 . 6.000 5.597 5.504 5.687 . 0 0 "[ . 1]" 1
948 1 60 LYS H 1 60 LYS HG2 5.390 . 5.390 3.035 1.999 4.595 . 0 0 "[ . 1]" 1
949 1 60 LYS H 1 60 LYS HG3 5.390 . 5.390 3.681 2.070 4.497 . 0 0 "[ . 1]" 1
950 1 13 VAL MG1 1 16 ASN H 5.320 . 5.320 2.611 1.925 3.784 . 0 0 "[ . 1]" 1
951 1 36 TRP HH2 1 71 THR MG 5.360 . 5.360 3.385 2.552 5.365 0.005 8 0 "[ . 1]" 1
952 1 44 ALA MB 1 46 LYS H 5.520 . 5.520 4.279 4.175 4.342 . 0 0 "[ . 1]" 1
953 1 17 TYR QD 1 20 ILE HG13 5.220 . 5.220 4.357 4.241 4.413 . 0 0 "[ . 1]" 1
954 1 17 TYR QD 1 20 ILE MD 4.920 . 4.920 4.298 4.203 4.362 . 0 0 "[ . 1]" 1
955 1 37 CYS HB3 1 82 PHE QD 5.950 . 5.950 5.449 5.317 5.737 . 0 0 "[ . 1]" 1
956 1 21 VAL HA 1 88 TYR QD 5.200 . 5.200 3.614 3.396 3.859 . 0 0 "[ . 1]" 1
957 1 111 PHE QD 1 112 ILE HA 5.990 . 5.990 4.681 4.098 5.224 . 0 0 "[ . 1]" 1
958 1 16 ASN HB2 1 17 TYR QD 6.000 . 6.000 6.005 5.896 6.035 0.035 5 0 "[ . 1]" 1
959 1 17 TYR QD 1 18 ASN HB2 5.460 . 5.460 4.977 4.910 5.010 . 0 0 "[ . 1]" 1
960 1 17 TYR QE 1 18 ASN HA 5.160 . 5.160 3.477 3.199 3.734 . 0 0 "[ . 1]" 1
961 1 33 TYR QD 1 35 PRO HA 4.810 . 4.810 4.246 4.202 4.290 . 0 0 "[ . 1]" 1
962 1 99 TYR HH 1 111 PHE HB3 4.640 . 4.640 2.169 1.974 2.783 . 0 0 "[ . 1]" 1
963 1 99 TYR HH 1 112 ILE HA 5.900 . 5.900 4.108 3.584 4.828 . 0 0 "[ . 1]" 1
964 1 33 TYR QE 1 35 PRO HD3 5.130 . 5.130 4.454 4.273 4.602 . 0 0 "[ . 1]" 1
965 1 99 TYR HA 1 99 TYR QE 5.100 . 5.100 4.390 4.322 4.436 . 0 0 "[ . 1]" 1
966 1 19 GLU HA 1 23 ASP H 5.110 . 5.110 4.623 4.357 4.704 . 0 0 "[ . 1]" 1
967 1 33 TYR QE 1 35 PRO HA 4.760 . 4.760 4.732 4.496 4.767 0.007 7 0 "[ . 1]" 1
968 1 33 TYR QD 1 34 ALA HA 5.200 . 5.200 3.704 3.487 3.944 . 0 0 "[ . 1]" 1
969 1 33 TYR QD 1 44 ALA HA 5.060 . 5.060 4.273 4.151 4.683 . 0 0 "[ . 1]" 1
970 1 17 TYR QE 1 76 PRO HD3 5.230 . 5.230 4.884 4.121 5.233 0.003 7 0 "[ . 1]" 1
971 1 47 TYR QD 1 50 LEU MD2 5.500 . 5.500 4.420 4.100 4.868 . 0 0 "[ . 1]" 1
972 1 47 TYR QD 1 105 VAL MG1 5.530 . 5.530 3.654 3.394 4.207 . 0 0 "[ . 1]" 1
973 1 34 ALA HA 1 35 PRO HD3 3.660 . 3.660 2.342 2.301 2.443 . 0 0 "[ . 1]" 1
974 1 106 GLU HA 1 107 ASP HA 5.440 . 5.440 4.724 4.713 4.744 . 0 0 "[ . 1]" 1
975 1 107 ASP HA 1 108 LEU HA 6.000 . 6.000 4.762 4.739 4.815 . 0 0 "[ . 1]" 1
976 1 110 LYS HA 1 111 PHE HA 6.000 . 6.000 4.773 4.701 4.819 . 0 0 "[ . 1]" 1
977 1 12 VAL HA 1 17 TYR HA 4.960 . 4.960 3.938 3.810 4.078 . 0 0 "[ . 1]" 1
978 1 47 TYR QD 1 67 LYS HA 4.930 . 4.930 3.891 3.599 4.227 . 0 0 "[ . 1]" 1
979 1 88 TYR QE 1 95 GLN HA 4.730 . 4.730 4.125 3.665 4.448 . 0 0 "[ . 1]" 1
980 1 16 ASN HA 1 19 GLU HB2 5.120 . 5.120 3.515 3.034 5.133 0.013 3 0 "[ . 1]" 1
981 1 54 TYR QE 1 59 PHE HB3 5.270 . 5.270 4.317 2.357 5.272 0.002 8 0 "[ . 1]" 1
982 1 79 ILE HB 1 81 GLY H 5.110 . 5.110 2.987 2.670 3.160 . 0 0 "[ . 1]" 1
983 1 14 ALA MB 1 17 TYR QD 4.920 . 4.920 3.562 3.516 3.659 . 0 0 "[ . 1]" 1
984 1 14 ALA HA 1 17 TYR HB3 4.430 . 4.430 3.537 3.344 3.870 . 0 0 "[ . 1]" 1
985 1 14 ALA HA 1 17 TYR HB2 5.430 . 5.430 5.073 4.872 5.373 . 0 0 "[ . 1]" 1
986 1 44 ALA HA 1 47 TYR HB3 5.210 . 5.210 3.988 3.773 4.117 . 0 0 "[ . 1]" 1
987 1 46 LYS HA 1 49 GLU HB2 4.160 . 4.160 3.491 2.844 3.912 . 0 0 "[ . 1]" 1
988 1 46 LYS HA 1 105 VAL MG2 5.900 . 5.900 4.123 3.921 4.368 . 0 0 "[ . 1]" 1
989 1 99 TYR HH 1 111 PHE QD 5.160 . 5.160 2.398 1.986 3.169 . 0 0 "[ . 1]" 1
990 1 11 VAL HA 1 66 ALA HA 5.750 . 5.750 5.445 4.797 5.569 . 0 0 "[ . 1]" 1
991 1 31 GLU HB2 1 47 TYR QE 5.040 . 5.040 2.564 1.969 2.941 . 0 0 "[ . 1]" 1
992 1 21 VAL HA 1 22 LEU HA 5.830 . 5.830 4.710 4.698 4.739 . 0 0 "[ . 1]" 1
993 1 112 ILE HA 1 113 ALA HA 4.830 . 4.830 4.712 4.676 4.755 . 0 0 "[ . 1]" 1
994 1 13 VAL HA 1 17 TYR HB3 5.660 . 5.660 4.336 4.048 4.606 . 0 0 "[ . 1]" 1
995 1 18 ASN HB2 1 19 GLU HA 5.130 . 5.130 4.757 4.701 4.790 . 0 0 "[ . 1]" 1
996 1 104 THR MG 1 106 GLU HA 4.520 . 4.520 4.308 4.167 4.520 . 8 0 "[ . 1]" 1
997 1 19 GLU HA 1 20 ILE MG 5.680 . 5.680 5.087 5.038 5.133 . 0 0 "[ . 1]" 1
998 1 19 GLU HA 1 22 LEU MD2 6.000 . 6.000 5.362 5.331 5.397 . 0 0 "[ . 1]" 1
999 1 14 ALA MB 1 75 VAL HA 5.830 . 5.830 4.358 3.445 5.252 . 0 0 "[ . 1]" 1
1000 1 112 ILE MG 1 116 GLY HA3 5.220 . 5.220 3.152 2.461 3.498 . 0 0 "[ . 1]" 1
1001 1 87 LEU MD2 1 112 ILE HA 5.060 . 5.060 3.631 3.224 4.139 . 0 0 "[ . 1]" 1
1002 1 17 TYR HB3 1 21 VAL MG2 5.450 . 5.450 5.025 4.967 5.157 . 0 0 "[ . 1]" 1
1003 1 30 ILE MG 1 88 TYR HB2 4.720 . 4.720 4.477 4.193 4.655 . 0 0 "[ . 1]" 1
1004 1 54 TYR HB3 1 65 ILE MD 5.160 . 5.160 3.168 2.817 3.519 . 0 0 "[ . 1]" 1
1005 1 16 ASN HB3 1 20 ILE HG12 4.570 . 4.570 4.482 4.313 4.579 0.009 4 0 "[ . 1]" 1
1006 1 35 PRO HD3 1 71 THR MG 5.760 . 5.760 4.607 4.273 5.037 . 0 0 "[ . 1]" 1
1007 1 35 PRO HB2 1 36 TRP HB3 4.680 . 4.680 4.352 4.263 4.516 . 0 0 "[ . 1]" 1
1008 1 111 PHE HB2 1 112 ILE HB 6.000 . 6.000 5.848 5.504 6.005 0.005 5 0 "[ . 1]" 1
1009 1 30 ILE HG12 1 68 VAL HB 5.140 . 5.140 4.155 3.683 4.310 . 0 0 "[ . 1]" 1
1010 1 21 VAL MG2 1 22 LEU HB3 5.070 . 5.070 4.374 4.302 4.405 . 0 0 "[ . 1]" 1
1011 1 20 ILE MG 1 21 VAL MG2 5.750 . 5.750 5.068 5.040 5.092 . 0 0 "[ . 1]" 1
1012 1 21 VAL MG2 1 28 VAL MG2 6.000 . 6.000 4.885 4.424 5.184 . 0 0 "[ . 1]" 1
1013 1 17 TYR QE 1 21 VAL HB 4.340 . 4.340 4.346 4.247 4.365 0.025 9 0 "[ . 1]" 1
1014 1 104 THR MG 1 107 ASP H 5.290 . 5.290 3.576 3.360 3.810 . 0 0 "[ . 1]" 1
1015 1 50 LEU MD1 1 51 GLY H 5.740 . 5.740 4.437 4.372 4.479 . 0 0 "[ . 1]" 1
1016 1 50 LEU MD1 1 53 LEU H 6.000 . 6.000 4.397 4.150 4.532 . 0 0 "[ . 1]" 1
1017 1 32 PHE HZ 1 68 VAL MG1 6.000 . 6.000 3.275 3.002 3.405 . 0 0 "[ . 1]" 1
1018 1 31 GLU HA 1 33 TYR QD 5.690 . 5.690 5.263 5.068 5.423 . 0 0 "[ . 1]" 1
1019 1 26 LYS HA 1 62 ARG HA 4.880 . 4.880 3.801 3.243 4.516 . 0 0 "[ . 1]" 1
1020 1 62 ARG HA 1 63 VAL HA 5.330 . 5.330 4.551 4.530 4.569 . 0 0 "[ . 1]" 1
1021 1 37 CYS HB2 1 82 PHE QD 5.110 . 5.110 4.159 3.935 4.584 . 0 0 "[ . 1]" 1
1022 1 113 ALA MB 1 119 LYS HB2 3.640 . 3.640 3.074 2.749 3.447 . 0 0 "[ . 1]" 1
1023 1 50 LEU HB2 1 105 VAL HB 3.940 . 3.940 2.238 2.001 2.456 . 0 0 "[ . 1]" 1
1024 1 20 ILE HB 1 28 VAL MG1 3.970 . 3.970 2.204 1.945 2.487 . 0 0 "[ . 1]" 1
1025 1 20 ILE HB 1 28 VAL MG2 3.710 . 3.710 1.946 1.905 2.015 . 0 0 "[ . 1]" 1
1026 1 29 LEU MD2 1 112 ILE MG 4.350 . 4.350 2.222 1.919 2.568 . 0 0 "[ . 1]" 1
1027 1 7 GLY QA 1 8 PRO QD 3.210 . 3.210 2.129 1.912 2.542 . 0 0 "[ . 1]" 1
1028 1 8 PRO QD 1 9 VAL H 4.520 . 4.520 3.000 2.593 4.582 0.062 3 0 "[ . 1]" 1
1029 1 9 VAL QG 1 10 THR HA 5.320 . 5.320 3.794 3.526 4.077 . 0 0 "[ . 1]" 1
1030 1 10 THR HB 1 64 VAL QG 3.860 . 3.860 3.332 3.005 3.565 . 0 0 "[ . 1]" 1
1031 1 10 THR MG 1 64 VAL QG 3.580 . 3.580 2.858 2.522 3.303 . 0 0 "[ . 1]" 1
1032 1 11 VAL QG 1 12 VAL HA 4.130 . 4.130 3.418 3.244 3.648 . 0 0 "[ . 1]" 1
1033 1 11 VAL QG 1 12 VAL MG2 3.810 . 3.810 3.674 3.555 3.821 0.011 8 0 "[ . 1]" 1
1034 1 11 VAL QG 1 13 VAL H 4.770 . 4.770 3.340 3.137 3.631 . 0 0 "[ . 1]" 1
1035 1 11 VAL QG 1 13 VAL QG 3.400 . 3.400 2.719 2.017 3.248 . 0 0 "[ . 1]" 1
1036 1 13 VAL QG 1 14 ALA H 4.010 . 4.010 1.866 1.795 1.899 0.005 9 0 "[ . 1]" 1
1037 1 13 VAL QG 1 15 LYS H 3.690 . 3.690 2.098 1.882 2.545 . 0 0 "[ . 1]" 1
1038 1 13 VAL QG 1 15 LYS HA 5.190 . 5.190 4.240 3.838 4.942 . 0 0 "[ . 1]" 1
1039 1 13 VAL QG 1 15 LYS QB 3.390 . 3.390 2.919 2.454 3.392 0.002 4 0 "[ . 1]" 1
1040 1 13 VAL MG2 1 15 LYS HB2 5.590 . 5.590 4.265 3.123 5.033 . 0 0 "[ . 1]" 1
1041 1 13 VAL QG 1 16 ASN H 3.970 . 3.970 2.503 1.918 3.453 . 0 0 "[ . 1]" 1
1042 1 13 VAL QG 1 16 ASN HB3 4.780 . 4.780 3.075 2.839 3.577 . 0 0 "[ . 1]" 1
1043 1 13 VAL QG 1 73 ASN HB2 5.280 . 5.280 5.141 4.873 5.308 0.028 9 0 "[ . 1]" 1
1044 1 13 VAL QG 1 73 ASN HD21 4.360 . 4.360 4.078 3.887 4.154 . 0 0 "[ . 1]" 1
1045 1 14 ALA HA 1 75 VAL QG 4.510 . 4.510 3.787 2.713 4.470 . 0 0 "[ . 1]" 1
1046 1 14 ALA MB 1 15 LYS QG 3.660 . 3.660 3.483 2.957 3.665 0.005 9 0 "[ . 1]" 1
1047 1 14 ALA MB 1 74 ASP QB 3.900 . 3.900 2.095 1.797 2.320 0.003 5 0 "[ . 1]" 1
1048 1 14 ALA MB 1 75 VAL QG 4.320 . 4.320 3.455 2.666 4.080 . 0 0 "[ . 1]" 1
1049 1 15 LYS H 1 15 LYS QG 3.480 . 3.480 2.866 1.943 3.385 . 0 0 "[ . 1]" 1
1050 1 15 LYS QB 1 16 ASN HA 5.220 . 5.220 4.157 4.048 4.413 . 0 0 "[ . 1]" 1
1051 1 16 ASN HD21 1 19 GLU QB 5.530 . 5.530 3.769 3.513 5.133 . 0 0 "[ . 1]" 1
1052 1 17 TYR QD 1 75 VAL QG 4.680 . 4.680 3.828 2.686 4.456 . 0 0 "[ . 1]" 1
1053 1 17 TYR QD 1 76 PRO QD 5.800 . 5.800 5.517 5.151 5.661 . 0 0 "[ . 1]" 1
1054 1 17 TYR QE 1 75 VAL QG 4.180 . 4.180 3.517 2.101 4.193 0.013 2 0 "[ . 1]" 1
1055 1 17 TYR QE 1 76 PRO QG 4.990 . 4.990 5.002 4.993 5.015 0.025 2 0 "[ . 1]" 1
1056 1 17 TYR QE 1 76 PRO QD 4.480 . 4.480 3.853 3.727 3.948 . 0 0 "[ . 1]" 1
1057 1 18 ASN HD21 1 19 GLU QB 4.780 . 4.780 3.542 3.379 4.126 . 0 0 "[ . 1]" 1
1058 1 19 GLU H 1 19 GLU QB 3.360 . 3.360 2.252 2.151 2.716 . 0 0 "[ . 1]" 1
1059 1 19 GLU HA 1 23 ASP QB 5.810 . 5.810 5.110 4.821 5.606 . 0 0 "[ . 1]" 1
1060 1 19 GLU QB 1 20 ILE HA 4.420 . 4.420 3.847 3.704 4.144 . 0 0 "[ . 1]" 1
1061 1 20 ILE HB 1 23 ASP QB 5.030 . 5.030 4.265 4.013 4.470 . 0 0 "[ . 1]" 1
1062 1 20 ILE HB 1 64 VAL QG 4.500 . 4.500 3.801 3.560 4.142 . 0 0 "[ . 1]" 1
1063 1 20 ILE MG 1 64 VAL QG 4.120 . 4.120 3.730 3.507 3.906 . 0 0 "[ . 1]" 1
1064 1 21 VAL HA 1 23 ASP QB 4.920 . 4.920 4.540 4.349 4.672 . 0 0 "[ . 1]" 1
1065 1 22 LEU H 1 23 ASP QB 4.690 . 4.690 4.208 4.134 4.375 . 0 0 "[ . 1]" 1
1066 1 22 LEU HA 1 93 LYS QD 4.500 . 4.500 3.095 1.934 4.498 . 0 0 "[ . 1]" 1
1067 1 22 LEU MD2 1 93 LYS QD 4.180 . 4.180 3.193 2.444 4.197 0.017 4 0 "[ . 1]" 1
1068 1 24 ASP QB 1 25 THR H 4.430 . 4.430 3.554 3.034 3.762 . 0 0 "[ . 1]" 1
1069 1 24 ASP QB 1 90 ALA HA 4.310 . 4.310 3.887 3.541 4.331 0.021 3 0 "[ . 1]" 1
1070 1 24 ASP QB 1 91 GLY H 5.090 . 5.090 2.591 2.104 3.485 . 0 0 "[ . 1]" 1
1071 1 24 ASP QB 1 91 GLY QA 4.110 . 4.110 2.639 1.959 3.911 . 0 0 "[ . 1]" 1
1072 1 26 LYS H 1 26 LYS QG 4.590 . 4.590 3.687 2.144 4.180 . 0 0 "[ . 1]" 1
1073 1 26 LYS HA 1 26 LYS QG 3.700 . 3.700 2.332 2.043 3.328 . 0 0 "[ . 1]" 1
1074 1 26 LYS QB 1 27 ASP H 3.910 . 3.910 3.055 2.352 3.446 . 0 0 "[ . 1]" 1
1075 1 26 LYS QB 1 64 VAL H 5.670 . 5.670 5.485 5.118 5.675 0.005 9 0 "[ . 1]" 1
1076 1 26 LYS QB 1 64 VAL HB 5.810 . 5.810 5.095 4.697 5.446 . 0 0 "[ . 1]" 1
1077 1 26 LYS QB 1 90 ALA MB 4.500 . 4.500 3.911 3.762 4.034 . 0 0 "[ . 1]" 1
1078 1 26 LYS QG 1 62 ARG HA 5.610 . 5.610 3.811 2.985 5.531 . 0 0 "[ . 1]" 1
1079 1 27 ASP H 1 27 ASP QB 3.550 . 3.550 2.198 2.115 2.424 . 0 0 "[ . 1]" 1
1080 1 27 ASP H 1 118 TYR QB 5.320 . 5.320 5.076 4.275 5.326 0.006 10 0 "[ . 1]" 1
1081 1 27 ASP QB 1 28 VAL H 4.060 . 4.060 3.220 3.010 3.492 . 0 0 "[ . 1]" 1
1082 1 27 ASP QB 1 62 ARG HA 5.630 . 5.630 4.419 4.141 4.846 . 0 0 "[ . 1]" 1
1083 1 27 ASP QB 1 63 VAL HA 4.100 . 4.100 2.368 2.254 2.597 . 0 0 "[ . 1]" 1
1084 1 27 ASP QB 1 63 VAL HB 4.240 . 4.240 3.746 2.895 4.245 0.005 9 0 "[ . 1]" 1
1085 1 27 ASP QB 1 63 VAL QG 3.880 . 3.880 2.251 1.800 2.878 0.000 7 0 "[ . 1]" 1
1086 1 27 ASP QB 1 89 PRO HA 5.280 . 5.280 3.794 3.076 4.090 . 0 0 "[ . 1]" 1
1087 1 27 ASP QB 1 90 ALA H 4.620 . 4.620 3.651 2.817 4.003 . 0 0 "[ . 1]" 1
1088 1 27 ASP QB 1 90 ALA MB 5.010 . 5.010 3.418 2.638 3.854 . 0 0 "[ . 1]" 1
1089 1 27 ASP QB 1 112 ILE MG 4.590 . 4.590 3.733 3.405 4.145 . 0 0 "[ . 1]" 1
1090 1 27 ASP QB 1 118 TYR QB 4.620 . 4.620 3.710 2.760 4.117 . 0 0 "[ . 1]" 1
1091 1 27 ASP QB 1 118 TYR QD 5.640 . 5.640 3.086 2.104 3.674 . 0 0 "[ . 1]" 1
1092 1 29 LEU H 1 29 LEU QB 3.660 . 3.660 2.911 2.836 3.000 . 0 0 "[ . 1]" 1
1093 1 29 LEU HA 1 87 LEU QD 3.830 . 3.830 2.931 2.798 3.028 . 0 0 "[ . 1]" 1
1094 1 29 LEU QB 1 30 ILE MG 5.640 . 5.640 4.745 4.487 4.865 . 0 0 "[ . 1]" 1
1095 1 29 LEU QB 1 31 GLU HB2 5.050 . 5.050 4.685 4.523 4.946 . 0 0 "[ . 1]" 1
1096 1 29 LEU QB 1 63 VAL QG 4.700 . 4.700 4.018 3.681 4.482 . 0 0 "[ . 1]" 1
1097 1 29 LEU QB 1 65 ILE HA 4.060 . 4.060 2.938 2.613 3.288 . 0 0 "[ . 1]" 1
1098 1 29 LEU QB 1 65 ILE MD 3.800 . 3.800 3.089 2.729 3.372 . 0 0 "[ . 1]" 1
1099 1 29 LEU QB 1 87 LEU QD 3.330 . 3.330 2.535 2.120 2.910 . 0 0 "[ . 1]" 1
1100 1 29 LEU QB 1 108 LEU QD 3.880 . 3.880 2.962 2.663 3.242 . 0 0 "[ . 1]" 1
1101 1 29 LEU QB 1 112 ILE QG 4.230 . 4.230 3.901 3.625 4.157 . 0 0 "[ . 1]" 1
1102 1 29 LEU QB 1 112 ILE MD 4.740 . 4.740 3.405 3.180 3.877 . 0 0 "[ . 1]" 1
1103 1 29 LEU MD1 1 63 VAL QG 4.770 . 4.770 2.096 1.795 2.554 0.005 8 0 "[ . 1]" 1
1104 1 29 LEU MD1 1 108 LEU QD 4.390 . 4.390 2.672 2.016 3.406 . 0 0 "[ . 1]" 1
1105 1 29 LEU MD1 1 112 ILE QG 3.890 . 3.890 2.901 2.193 3.571 . 0 0 "[ . 1]" 1
1106 1 29 LEU MD2 1 87 LEU QD 4.900 . 4.900 1.786 1.762 1.799 0.038 10 0 "[ . 1]" 1
1107 1 30 ILE MG 1 86 LYS QB 4.200 . 4.200 1.812 1.784 1.882 0.016 3 0 "[ . 1]" 1
1108 1 30 ILE HG12 1 86 LYS QB 4.870 . 4.870 4.038 3.818 4.378 . 0 0 "[ . 1]" 1
1109 1 30 ILE MD 1 86 LYS QB 4.070 . 4.070 3.828 3.702 4.047 . 0 0 "[ . 1]" 1
1110 1 31 GLU HA 1 85 ILE QG 4.740 . 4.740 3.982 3.785 4.182 . 0 0 "[ . 1]" 1
1111 1 31 GLU HB2 1 43 LEU QD 4.350 . 4.350 3.696 3.352 3.959 . 0 0 "[ . 1]" 1
1112 1 31 GLU HB3 1 43 LEU QD 3.470 . 3.470 3.292 2.495 3.485 0.015 1 0 "[ . 1]" 1
1113 1 32 PHE QB 1 68 VAL MG1 4.570 . 4.570 3.799 3.592 3.940 . 0 0 "[ . 1]" 1
1114 1 32 PHE QB 1 70 ALA HA 4.700 . 4.700 3.283 2.636 3.651 . 0 0 "[ . 1]" 1
1115 1 32 PHE QB 1 70 ALA MB 3.830 . 3.830 1.984 1.838 2.175 . 0 0 "[ . 1]" 1
1116 1 32 PHE QB 1 79 ILE MG 4.690 . 4.690 4.599 4.411 4.715 0.025 10 0 "[ . 1]" 1
1117 1 32 PHE QB 1 79 ILE MD 4.300 . 4.300 3.937 3.671 4.136 . 0 0 "[ . 1]" 1
1118 1 32 PHE QB 1 82 PHE QD 5.130 . 5.130 3.884 3.569 4.354 . 0 0 "[ . 1]" 1
1119 1 32 PHE QB 1 84 THR H 4.380 . 4.380 3.228 3.066 3.415 . 0 0 "[ . 1]" 1
1120 1 32 PHE QB 1 84 THR HA 5.810 . 5.810 4.654 4.402 4.855 . 0 0 "[ . 1]" 1
1121 1 32 PHE QB 1 84 THR HB 3.590 . 3.590 2.397 1.915 2.709 . 0 0 "[ . 1]" 1
1122 1 32 PHE QB 1 84 THR MG 4.120 . 4.120 2.158 1.931 2.487 . 0 0 "[ . 1]" 1
1123 1 32 PHE QD 1 75 VAL QG 4.370 . 4.370 3.897 3.669 4.017 . 0 0 "[ . 1]" 1
1124 1 32 PHE QD 1 86 LYS QG 4.880 . 4.880 3.684 2.633 4.746 . 0 0 "[ . 1]" 1
1125 1 32 PHE HZ 1 75 VAL QG 4.320 . 4.320 2.058 1.922 2.342 . 0 0 "[ . 1]" 1
1126 1 33 TYR HB2 1 43 LEU QD 4.800 . 4.800 4.127 2.712 4.818 0.018 3 0 "[ . 1]" 1
1127 1 33 TYR HB3 1 40 CYS QB 4.200 . 4.200 3.156 3.014 3.690 . 0 0 "[ . 1]" 1
1128 1 33 TYR HB3 1 43 LEU QD 4.320 . 4.320 3.353 1.834 4.054 . 0 0 "[ . 1]" 1
1129 1 33 TYR QD 1 67 LYS QB 4.480 . 4.480 3.975 3.565 4.484 0.004 5 0 "[ . 1]" 1
1130 1 33 TYR QE 1 67 LYS QB 4.080 . 4.080 2.176 1.973 2.620 . 0 0 "[ . 1]" 1
1131 1 33 TYR QE 1 67 LYS QG 4.290 . 4.290 3.493 2.111 4.217 . 0 0 "[ . 1]" 1
1132 1 34 ALA HA 1 69 ASP QB 5.470 . 5.470 3.791 3.280 4.628 . 0 0 "[ . 1]" 1
1133 1 35 PRO HA 1 41 LYS QG 4.130 . 4.130 2.609 2.059 2.934 . 0 0 "[ . 1]" 1
1134 1 35 PRO HB3 1 41 LYS QG 4.030 . 4.030 4.036 4.032 4.042 0.012 3 0 "[ . 1]" 1
1135 1 37 CYS H 1 38 GLY QA 5.040 . 5.040 4.643 4.610 4.686 . 0 0 "[ . 1]" 1
1136 1 37 CYS HA 1 38 GLY QA 5.300 . 5.300 4.305 4.293 4.359 . 0 0 "[ . 1]" 1
1137 1 37 CYS HB2 1 40 CYS QB 4.890 . 4.890 2.828 2.494 4.727 . 0 0 "[ . 1]" 1
1138 1 37 CYS HB2 1 82 PHE QB 5.810 . 5.810 3.429 3.050 4.166 . 0 0 "[ . 1]" 1
1139 1 37 CYS HB3 1 38 GLY QA 4.780 . 4.780 4.245 4.153 4.297 . 0 0 "[ . 1]" 1
1140 1 37 CYS HB3 1 40 CYS QB 4.320 . 4.320 2.171 1.895 4.333 0.013 3 0 "[ . 1]" 1
1141 1 37 CYS HB3 1 41 LYS QB 4.190 . 4.190 4.042 2.566 4.212 0.022 10 0 "[ . 1]" 1
1142 1 38 GLY QA 1 41 LYS QB 4.720 . 4.720 3.356 2.612 3.623 . 0 0 "[ . 1]" 1
1143 1 39 HIS QB 1 42 ALA MB 5.650 . 5.650 5.395 5.142 5.652 0.002 1 0 "[ . 1]" 1
1144 1 39 HIS QB 1 83 PRO HD2 5.060 . 5.060 5.004 4.879 5.084 0.024 2 0 "[ . 1]" 1
1145 1 39 HIS QB 1 83 PRO HD3 4.030 . 4.030 4.030 3.934 4.078 0.048 8 0 "[ . 1]" 1
1146 1 40 CYS HA 1 43 LEU QD 5.280 . 5.280 3.480 3.226 3.695 . 0 0 "[ . 1]" 1
1147 1 40 CYS HA 1 83 PRO QB 4.740 . 4.740 3.439 2.874 3.793 . 0 0 "[ . 1]" 1
1148 1 40 CYS HA 1 83 PRO QG 5.400 . 5.400 3.710 3.021 4.568 . 0 0 "[ . 1]" 1
1149 1 40 CYS QB 1 42 ALA MB 5.810 . 5.810 5.409 5.295 5.517 . 0 0 "[ . 1]" 1
1150 1 40 CYS QB 1 43 LEU HB2 3.980 . 3.980 3.104 2.989 3.213 . 0 0 "[ . 1]" 1
1151 1 40 CYS QB 1 43 LEU QD 5.010 . 5.010 3.860 2.878 4.257 . 0 0 "[ . 1]" 1
1152 1 40 CYS QB 1 83 PRO QB 3.940 . 3.940 3.545 1.926 3.973 0.033 1 0 "[ . 1]" 1
1153 1 41 LYS QB 1 42 ALA H 4.060 . 4.060 2.899 2.866 2.926 . 0 0 "[ . 1]" 1
1154 1 43 LEU H 1 43 LEU QD 4.170 . 4.170 3.161 2.908 3.705 . 0 0 "[ . 1]" 1
1155 1 43 LEU H 1 46 LYS QB 4.970 . 4.970 4.589 4.479 4.764 . 0 0 "[ . 1]" 1
1156 1 43 LEU HA 1 43 LEU QD 3.300 . 3.300 1.925 1.838 2.098 . 0 0 "[ . 1]" 1
1157 1 43 LEU HA 1 46 LYS QB 3.750 . 3.750 2.564 2.373 2.725 . 0 0 "[ . 1]" 1
1158 1 43 LEU HB2 1 83 PRO QB 4.070 . 4.070 3.919 3.449 4.086 0.016 10 0 "[ . 1]" 1
1159 1 43 LEU HG 1 46 LYS QB 5.540 . 5.540 5.308 4.488 5.546 0.006 5 0 "[ . 1]" 1
1160 1 43 LEU HG 1 83 PRO QB 4.930 . 4.930 3.293 3.194 3.545 . 0 0 "[ . 1]" 1
1161 1 43 LEU HG 1 83 PRO QG 5.220 . 5.220 5.051 4.825 5.228 0.008 3 0 "[ . 1]" 1
1162 1 43 LEU QD 1 44 ALA HA 5.540 . 5.540 4.109 3.874 4.247 . 0 0 "[ . 1]" 1
1163 1 43 LEU QD 1 46 LYS H 4.960 . 4.960 4.276 4.192 4.489 . 0 0 "[ . 1]" 1
1164 1 43 LEU QD 1 46 LYS QB 4.070 . 4.070 2.940 2.851 3.103 . 0 0 "[ . 1]" 1
1165 1 43 LEU MD1 1 46 LYS HB2 6.370 . 6.370 4.109 3.197 5.949 . 0 0 "[ . 1]" 1
1166 1 43 LEU QD 1 47 TYR QD 3.540 . 3.540 2.015 1.923 2.143 . 0 0 "[ . 1]" 1
1167 1 43 LEU QD 1 47 TYR QE 3.460 . 3.460 2.636 2.546 2.805 . 0 0 "[ . 1]" 1
1168 1 43 LEU QD 1 48 GLU H 5.680 . 5.680 5.558 5.398 5.693 0.013 10 0 "[ . 1]" 1
1169 1 43 LEU QD 1 83 PRO QB 3.480 . 3.480 2.767 2.494 2.922 . 0 0 "[ . 1]" 1
1170 1 43 LEU MD1 1 83 PRO HB3 5.660 . 5.660 4.415 2.549 5.019 . 0 0 "[ . 1]" 1
1171 1 43 LEU QD 1 83 PRO QG 4.040 . 4.040 4.013 3.771 4.064 0.024 2 0 "[ . 1]" 1
1172 1 43 LEU QD 1 105 VAL MG1 4.300 . 4.300 3.651 3.422 3.928 . 0 0 "[ . 1]" 1
1173 1 44 ALA H 1 46 LYS QB 5.370 . 5.370 4.613 4.546 4.698 . 0 0 "[ . 1]" 1
1174 1 45 PRO HA 1 48 GLU QB 3.660 . 3.660 2.801 2.421 3.660 . 0 0 "[ . 1]" 1
1175 1 45 PRO QB 1 46 LYS H 4.040 . 4.040 3.079 2.972 3.242 . 0 0 "[ . 1]" 1
1176 1 46 LYS H 1 46 LYS QB 3.260 . 3.260 2.126 2.054 2.286 . 0 0 "[ . 1]" 1
1177 1 46 LYS H 1 46 LYS QG 4.390 . 4.390 3.526 2.607 4.038 . 0 0 "[ . 1]" 1
1178 1 46 LYS QB 1 47 TYR H 3.900 . 3.900 2.906 2.853 2.996 . 0 0 "[ . 1]" 1
1179 1 46 LYS QB 1 105 VAL MG1 4.240 . 4.240 2.266 1.891 2.796 . 0 0 "[ . 1]" 1
1180 1 47 TYR QD 1 67 LYS QB 4.040 . 4.040 2.520 2.068 3.492 . 0 0 "[ . 1]" 1
1181 1 47 TYR QD 1 67 LYS QG 5.010 . 5.010 3.477 1.961 4.259 . 0 0 "[ . 1]" 1
1182 1 47 TYR QD 1 108 LEU QD 4.170 . 4.170 3.930 3.713 4.172 0.002 10 0 "[ . 1]" 1
1183 1 47 TYR QE 1 67 LYS QB 4.640 . 4.640 3.657 2.983 4.642 0.002 5 0 "[ . 1]" 1
1184 1 47 TYR QE 1 108 LEU QD 4.870 . 4.870 2.609 2.289 3.193 . 0 0 "[ . 1]" 1
1185 1 48 GLU QB 1 49 GLU H 3.690 . 3.690 2.879 2.602 3.542 . 0 0 "[ . 1]" 1
1186 1 49 GLU H 1 49 GLU QB 3.200 . 3.200 2.178 2.067 2.267 . 0 0 "[ . 1]" 1
1187 1 49 GLU H 1 49 GLU QG 4.590 . 4.590 3.908 3.575 4.051 . 0 0 "[ . 1]" 1
1188 1 49 GLU HA 1 49 GLU QG 3.690 . 3.690 2.281 2.081 2.588 . 0 0 "[ . 1]" 1
1189 1 50 LEU HA 1 53 LEU QD 4.270 . 4.270 3.173 2.497 3.728 . 0 0 "[ . 1]" 1
1190 1 52 ALA HA 1 56 LYS QB 5.810 . 5.810 4.333 3.873 4.561 . 0 0 "[ . 1]" 1
1191 1 53 LEU HA 1 53 LEU QD 3.970 . 3.970 2.504 1.976 2.745 . 0 0 "[ . 1]" 1
1192 1 53 LEU HA 1 56 LYS QB 3.860 . 3.860 3.012 2.688 3.406 . 0 0 "[ . 1]" 1
1193 1 54 TYR HA 1 59 PHE QB 5.810 . 5.810 4.921 4.546 5.672 . 0 0 "[ . 1]" 1
1194 1 54 TYR HB3 1 63 VAL QG 5.650 . 5.650 4.057 2.899 4.813 . 0 0 "[ . 1]" 1
1195 1 54 TYR QD 1 57 SER QB 4.630 . 4.630 3.838 3.362 4.457 . 0 0 "[ . 1]" 1
1196 1 54 TYR QD 1 109 ILE QG 4.690 . 4.690 3.887 3.415 4.164 . 0 0 "[ . 1]" 1
1197 1 54 TYR QE 1 59 PHE QB 4.500 . 4.500 3.596 1.914 4.423 . 0 0 "[ . 1]" 1
1198 1 54 TYR QE 1 63 VAL QG 3.820 . 3.820 2.179 1.798 2.493 0.002 10 0 "[ . 1]" 1
1199 1 54 TYR QE 1 109 ILE QG 3.530 . 3.530 2.471 1.980 2.850 . 0 0 "[ . 1]" 1
1200 1 55 ALA MB 1 56 LYS QB 4.000 . 4.000 3.732 3.545 3.994 . 0 0 "[ . 1]" 1
1201 1 56 LYS H 1 56 LYS QB 3.430 . 3.430 2.252 2.124 2.362 . 0 0 "[ . 1]" 1
1202 1 56 LYS HA 1 56 LYS QG 3.690 . 3.690 2.295 2.125 2.682 . 0 0 "[ . 1]" 1
1203 1 57 SER QB 1 58 GLU H 4.030 . 4.030 2.397 1.984 2.955 . 0 0 "[ . 1]" 1
1204 1 57 SER QB 1 59 PHE H 4.090 . 4.090 2.554 2.257 2.790 . 0 0 "[ . 1]" 1
1205 1 58 GLU H 1 58 GLU QB 3.550 . 3.550 2.403 2.117 2.774 . 0 0 "[ . 1]" 1
1206 1 58 GLU QB 1 59 PHE H 4.330 . 4.330 3.598 2.850 4.033 . 0 0 "[ . 1]" 1
1207 1 58 GLU QB 1 59 PHE HA 4.600 . 4.600 4.319 4.031 4.601 0.001 2 0 "[ . 1]" 1
1208 1 59 PHE H 1 59 PHE QB 3.500 . 3.500 2.666 2.484 2.831 . 0 0 "[ . 1]" 1
1209 1 59 PHE HA 1 62 ARG QB 4.520 . 4.520 2.578 2.041 2.892 . 0 0 "[ . 1]" 1
1210 1 59 PHE QB 1 60 LYS QB 5.610 . 5.610 5.124 5.003 5.232 . 0 0 "[ . 1]" 1
1211 1 59 PHE QB 1 62 ARG QB 4.070 . 4.070 2.260 1.925 2.762 . 0 0 "[ . 1]" 1
1212 1 59 PHE QB 1 63 VAL HB 5.410 . 5.410 3.686 2.942 4.421 . 0 0 "[ . 1]" 1
1213 1 59 PHE QB 1 63 VAL QG 3.700 . 3.700 2.746 1.860 3.491 . 0 0 "[ . 1]" 1
1214 1 60 LYS H 1 60 LYS QB 3.390 . 3.390 2.466 2.247 2.675 . 0 0 "[ . 1]" 1
1215 1 60 LYS QG 1 61 ASP H 4.100 . 4.100 2.563 1.945 3.628 . 0 0 "[ . 1]" 1
1216 1 60 LYS QG 1 61 ASP QB 3.870 . 3.870 3.284 2.609 3.874 0.004 4 0 "[ . 1]" 1
1217 1 61 ASP H 1 61 ASP QB 3.650 . 3.650 2.347 2.220 2.710 . 0 0 "[ . 1]" 1
1218 1 62 ARG H 1 62 ARG QG 4.470 . 4.470 3.555 2.710 4.162 . 0 0 "[ . 1]" 1
1219 1 62 ARG HA 1 62 ARG QG 3.730 . 3.730 2.261 2.087 2.538 . 0 0 "[ . 1]" 1
1220 1 62 ARG HA 1 118 TYR QB 5.380 . 5.380 4.598 3.958 5.143 . 0 0 "[ . 1]" 1
1221 1 62 ARG QB 1 63 VAL H 4.030 . 4.030 2.374 2.096 2.769 . 0 0 "[ . 1]" 1
1222 1 62 ARG QB 1 63 VAL HA 4.930 . 4.930 4.109 3.884 4.336 . 0 0 "[ . 1]" 1
1223 1 62 ARG QB 1 63 VAL QG 4.730 . 4.730 2.597 2.134 3.380 . 0 0 "[ . 1]" 1
1224 1 62 ARG QB 1 118 TYR QB 3.850 . 3.850 3.192 1.964 3.775 . 0 0 "[ . 1]" 1
1225 1 62 ARG QG 1 118 TYR QB 4.240 . 4.240 2.988 2.061 4.084 . 0 0 "[ . 1]" 1
1226 1 62 ARG QG 1 118 TYR QD 3.490 . 3.490 2.848 2.308 3.445 . 0 0 "[ . 1]" 1
1227 1 62 ARG QG 1 118 TYR QE 3.960 . 3.960 3.330 2.889 3.965 0.005 8 0 "[ . 1]" 1
1228 1 63 VAL QG 1 64 VAL HA 4.660 . 4.660 3.492 3.236 3.663 . 0 0 "[ . 1]" 1
1229 1 63 VAL QG 1 64 VAL QG 3.800 . 3.800 3.451 3.265 3.612 . 0 0 "[ . 1]" 1
1230 1 63 VAL QG 1 65 ILE MD 3.540 . 3.540 2.598 2.381 2.894 . 0 0 "[ . 1]" 1
1231 1 63 VAL QG 1 87 LEU QD 4.110 . 4.110 3.894 3.623 4.119 0.009 3 0 "[ . 1]" 1
1232 1 63 VAL QG 1 112 ILE HB 5.280 . 5.280 4.091 3.869 4.361 . 0 0 "[ . 1]" 1
1233 1 63 VAL QG 1 112 ILE MG 3.800 . 3.800 2.394 2.097 3.009 . 0 0 "[ . 1]" 1
1234 1 63 VAL QG 1 118 TYR QB 4.130 . 4.130 3.749 3.358 4.146 0.016 10 0 "[ . 1]" 1
1235 1 64 VAL HA 1 64 VAL QG 3.070 . 3.070 2.238 2.171 2.332 . 0 0 "[ . 1]" 1
1236 1 64 VAL QG 1 65 ILE H 4.000 . 4.000 2.495 2.154 2.676 . 0 0 "[ . 1]" 1
1237 1 64 VAL QG 1 66 ALA HA 4.740 . 4.740 3.951 3.778 4.082 . 0 0 "[ . 1]" 1
1238 1 64 VAL QG 1 66 ALA MB 3.730 . 3.730 2.883 2.716 3.335 . 0 0 "[ . 1]" 1
1239 1 65 ILE MG 1 108 LEU QD 4.690 . 4.690 3.602 3.098 4.105 . 0 0 "[ . 1]" 1
1240 1 65 ILE MD 1 108 LEU QD 4.790 . 4.790 3.253 2.777 3.648 . 0 0 "[ . 1]" 1
1241 1 67 LYS H 1 67 LYS QG 3.790 . 3.790 2.585 1.983 3.813 0.023 8 0 "[ . 1]" 1
1242 1 67 LYS QB 1 68 VAL H 4.000 . 4.000 2.817 2.609 3.038 . 0 0 "[ . 1]" 1
1243 1 69 ASP H 1 69 ASP QB 3.610 . 3.610 2.426 2.173 2.910 . 0 0 "[ . 1]" 1
1244 1 69 ASP QB 1 70 ALA MB 4.720 . 4.720 4.322 4.201 4.658 . 0 0 "[ . 1]" 1
1245 1 69 ASP QB 1 71 THR MG 5.040 . 5.040 2.465 2.251 2.642 . 0 0 "[ . 1]" 1
1246 1 69 ASP QB 1 72 ALA MB 5.260 . 5.260 4.760 4.147 5.019 . 0 0 "[ . 1]" 1
1247 1 70 ALA MB 1 79 ILE QG 5.360 . 5.360 4.695 4.251 5.139 . 0 0 "[ . 1]" 1
1248 1 72 ALA MB 1 75 VAL QG 3.500 . 3.500 2.338 2.054 2.580 . 0 0 "[ . 1]" 1
1249 1 73 ASN H 1 75 VAL QG 5.170 . 5.170 3.633 3.060 3.903 . 0 0 "[ . 1]" 1
1250 1 73 ASN HD21 1 75 VAL QG 5.430 . 5.430 5.309 4.986 5.442 0.012 8 0 "[ . 1]" 1
1251 1 75 VAL H 1 76 PRO QD 4.280 . 4.280 3.515 3.278 3.698 . 0 0 "[ . 1]" 1
1252 1 75 VAL QG 1 76 PRO QD 4.350 . 4.350 2.951 2.576 3.251 . 0 0 "[ . 1]" 1
1253 1 75 VAL QG 1 77 ASP H 4.120 . 4.120 3.305 3.081 3.818 . 0 0 "[ . 1]" 1
1254 1 75 VAL QG 1 77 ASP QB 3.300 . 3.300 2.500 2.161 2.728 . 0 0 "[ . 1]" 1
1255 1 76 PRO QD 1 77 ASP H 4.440 . 4.440 4.087 2.520 4.464 0.024 8 0 "[ . 1]" 1
1256 1 77 ASP H 1 77 ASP QB 3.290 . 3.290 2.874 2.444 3.192 . 0 0 "[ . 1]" 1
1257 1 77 ASP HA 1 86 LYS QE 4.620 . 4.620 3.106 2.421 3.571 . 0 0 "[ . 1]" 1
1258 1 77 ASP QB 1 79 ILE MG 5.670 . 5.670 3.330 2.869 3.977 . 0 0 "[ . 1]" 1
1259 1 77 ASP QB 1 79 ILE MD 4.160 . 4.160 2.779 2.242 3.304 . 0 0 "[ . 1]" 1
1260 1 77 ASP QB 1 86 LYS QE 3.850 . 3.850 2.910 2.191 3.859 0.009 4 0 "[ . 1]" 1
1261 1 78 GLU H 1 78 GLU QB 3.450 . 3.450 2.380 2.179 2.829 . 0 0 "[ . 1]" 1
1262 1 78 GLU H 1 78 GLU QG 4.690 . 4.690 3.362 2.059 4.124 . 0 0 "[ . 1]" 1
1263 1 78 GLU QB 1 79 ILE H 4.060 . 4.060 3.660 3.436 3.883 . 0 0 "[ . 1]" 1
1264 1 78 GLU QG 1 79 ILE H 4.870 . 4.870 3.773 3.011 4.415 . 0 0 "[ . 1]" 1
1265 1 79 ILE H 1 79 ILE QG 4.090 . 4.090 2.826 2.491 2.998 . 0 0 "[ . 1]" 1
1266 1 79 ILE MG 1 86 LYS QE 4.970 . 4.970 3.660 3.000 4.166 . 0 0 "[ . 1]" 1
1267 1 79 ILE QG 1 81 GLY H 4.010 . 4.010 3.397 3.025 3.984 . 0 0 "[ . 1]" 1
1268 1 80 GLN HA 1 80 GLN QG 3.610 . 3.610 2.810 2.013 3.340 . 0 0 "[ . 1]" 1
1269 1 80 GLN HA 1 80 GLN QE 5.390 . 5.390 4.262 2.163 5.266 . 0 0 "[ . 1]" 1
1270 1 80 GLN QG 1 81 GLY H 5.770 . 5.770 3.102 1.909 4.388 . 0 0 "[ . 1]" 1
1271 1 80 GLN QE 1 81 GLY H 4.630 . 4.630 4.196 3.113 4.630 . 0 0 "[ . 1]" 1
1272 1 82 PHE HA 1 83 PRO QB 5.180 . 5.180 5.478 5.430 5.514 0.334 1 0 "[ . 1]" 1
1273 1 82 PHE HA 1 83 PRO QG 5.520 . 5.520 5.198 5.158 5.248 . 0 0 "[ . 1]" 1
1274 1 82 PHE QB 1 83 PRO HA 4.020 . 4.020 3.664 3.647 3.681 . 0 0 "[ . 1]" 1
1275 1 82 PHE QB 1 84 THR H 4.440 . 4.440 4.406 4.350 4.448 0.008 3 0 "[ . 1]" 1
1276 1 83 PRO QB 1 84 THR H 4.060 . 4.060 3.868 3.835 3.909 . 0 0 "[ . 1]" 1
1277 1 84 THR MG 1 86 LYS QE 4.320 . 4.320 3.280 2.865 3.913 . 0 0 "[ . 1]" 1
1278 1 85 ILE H 1 85 ILE QG 4.490 . 4.490 2.767 2.345 3.273 . 0 0 "[ . 1]" 1
1279 1 85 ILE HA 1 85 ILE QG 3.680 . 3.680 2.522 2.409 2.601 . 0 0 "[ . 1]" 1
1280 1 85 ILE MG 1 108 LEU QD 5.360 . 5.360 1.920 1.802 2.116 . 0 0 "[ . 1]" 1
1281 1 85 ILE QG 1 99 TYR HB2 4.610 . 4.610 3.157 2.471 3.723 . 0 0 "[ . 1]" 1
1282 1 85 ILE MD 1 108 LEU QD 4.080 . 4.080 3.017 1.965 3.984 . 0 0 "[ . 1]" 1
1283 1 86 LYS QB 1 88 TYR QD 4.830 . 4.830 3.281 2.856 3.674 . 0 0 "[ . 1]" 1
1284 1 86 LYS QE 1 86 LYS QG 3.300 . 3.300 2.197 2.087 2.453 . 0 0 "[ . 1]" 1
1285 1 86 LYS QG 1 98 THR HA 4.730 . 4.730 3.776 3.337 4.426 . 0 0 "[ . 1]" 1
1286 1 86 LYS QE 1 96 PRO QB 3.700 . 3.700 2.440 1.924 3.167 . 0 0 "[ . 1]" 1
1287 1 86 LYS QE 1 98 THR HA 5.030 . 5.030 4.380 2.681 5.032 0.002 8 0 "[ . 1]" 1
1288 1 86 LYS QE 1 98 THR MG 3.670 . 3.670 2.829 1.924 3.654 . 0 0 "[ . 1]" 1
1289 1 87 LEU HA 1 87 LEU QD 3.340 . 3.340 1.878 1.816 1.931 . 0 0 "[ . 1]" 1
1290 1 87 LEU HG 1 108 LEU QD 4.600 . 4.600 4.510 4.359 4.605 0.005 6 0 "[ . 1]" 1
1291 1 87 LEU HG 1 115 ASN QB 3.840 . 3.840 3.812 3.622 3.851 0.011 1 0 "[ . 1]" 1
1292 1 87 LEU QD 1 88 TYR H 4.150 . 4.150 1.998 1.945 2.123 . 0 0 "[ . 1]" 1
1293 1 87 LEU QD 1 88 TYR HB2 5.700 . 5.700 4.148 4.094 4.229 . 0 0 "[ . 1]" 1
1294 1 87 LEU QD 1 89 PRO HA 5.060 . 5.060 3.650 3.581 3.834 . 0 0 "[ . 1]" 1
1295 1 87 LEU QD 1 89 PRO QG 5.040 . 5.040 3.844 3.032 4.363 . 0 0 "[ . 1]" 1
1296 1 87 LEU QD 1 89 PRO HD2 4.860 . 4.860 4.251 4.063 4.536 . 0 0 "[ . 1]" 1
1297 1 87 LEU QD 1 89 PRO HD3 4.090 . 4.090 2.880 2.632 3.255 . 0 0 "[ . 1]" 1
1298 1 87 LEU QD 1 97 VAL MG1 3.940 . 3.940 3.784 3.601 3.946 0.006 7 0 "[ . 1]" 1
1299 1 87 LEU QD 1 99 TYR QD 4.440 . 4.440 4.012 3.724 4.292 . 0 0 "[ . 1]" 1
1300 1 87 LEU QD 1 99 TYR HH 4.350 . 4.350 2.593 1.946 3.095 . 0 0 "[ . 1]" 1
1301 1 87 LEU QD 1 108 LEU QD 3.510 . 3.510 2.510 2.383 2.808 . 0 0 "[ . 1]" 1
1302 1 87 LEU QD 1 111 PHE QE 5.920 . 5.920 5.525 5.083 5.927 0.007 6 0 "[ . 1]" 1
1303 1 87 LEU QD 1 112 ILE HA 3.960 . 3.960 2.906 2.755 3.189 . 0 0 "[ . 1]" 1
1304 1 87 LEU QD 1 112 ILE MG 3.270 . 3.270 2.317 1.923 2.709 . 0 0 "[ . 1]" 1
1305 1 87 LEU QD 1 112 ILE QG 4.680 . 4.680 1.933 1.801 2.334 . 0 0 "[ . 1]" 1
1306 1 87 LEU QD 1 115 ASN QB 5.340 . 5.340 3.753 3.333 4.081 . 0 0 "[ . 1]" 1
1307 1 88 TYR HA 1 89 PRO QG 4.920 . 4.920 3.901 3.870 3.934 . 0 0 "[ . 1]" 1
1308 1 88 TYR QD 1 95 GLN QE 3.690 . 3.690 3.699 3.694 3.706 0.016 4 0 "[ . 1]" 1
1309 1 88 TYR QE 1 96 PRO QD 5.590 . 5.590 3.481 2.900 3.926 . 0 0 "[ . 1]" 1
1310 1 89 PRO QB 1 116 GLY QA 3.990 . 3.990 2.563 2.194 2.870 . 0 0 "[ . 1]" 1
1311 1 89 PRO QB 1 117 LYS H 4.220 . 4.220 3.020 2.813 3.672 . 0 0 "[ . 1]" 1
1312 1 89 PRO QG 1 95 GLN QE 5.610 . 5.610 2.942 2.701 3.320 . 0 0 "[ . 1]" 1
1313 1 89 PRO HD2 1 95 GLN QE 4.600 . 4.600 2.373 1.984 2.534 . 0 0 "[ . 1]" 1
1314 1 90 ALA HA 1 93 LYS QG 5.710 . 5.710 3.465 2.518 4.921 . 0 0 "[ . 1]" 1
1315 1 92 ALA H 1 93 LYS QG 4.310 . 4.310 3.719 3.285 4.320 0.010 4 0 "[ . 1]" 1
1316 1 92 ALA HA 1 93 LYS QD 5.810 . 5.810 4.969 3.854 5.859 0.049 6 0 "[ . 1]" 1
1317 1 93 LYS H 1 93 LYS QG 3.610 . 3.610 1.925 1.842 2.172 . 0 0 "[ . 1]" 1
1318 1 93 LYS H 1 93 LYS QD 4.530 . 4.530 3.073 2.171 3.864 . 0 0 "[ . 1]" 1
1319 1 93 LYS HA 1 93 LYS QG 3.720 . 3.720 3.420 3.325 3.488 . 0 0 "[ . 1]" 1
1320 1 95 GLN H 1 95 GLN QE 3.700 . 3.700 2.314 1.974 2.558 . 0 0 "[ . 1]" 1
1321 1 95 GLN H 1 96 PRO QD 4.650 . 4.650 4.036 3.926 4.234 . 0 0 "[ . 1]" 1
1322 1 95 GLN HA 1 96 PRO QB 5.350 . 5.350 4.632 4.534 4.684 . 0 0 "[ . 1]" 1
1323 1 97 VAL MG1 1 115 ASN QB 5.660 . 5.660 3.922 3.437 4.187 . 0 0 "[ . 1]" 1
1324 1 97 VAL MG2 1 115 ASN QB 4.350 . 4.350 3.990 3.568 4.352 0.002 10 0 "[ . 1]" 1
1325 1 99 TYR QE 1 108 LEU QD 4.910 . 4.910 2.907 2.065 3.691 . 0 0 "[ . 1]" 1
1326 1 99 TYR HH 1 108 LEU QD 4.450 . 4.450 3.310 2.771 4.070 . 0 0 "[ . 1]" 1
1327 1 99 TYR HH 1 115 ASN QB 4.940 . 4.940 4.757 4.321 4.947 0.007 6 0 "[ . 1]" 1
1328 1 104 THR H 1 107 ASP QB 4.070 . 4.070 3.282 3.003 3.864 . 0 0 "[ . 1]" 1
1329 1 104 THR HB 1 106 GLU QB 4.840 . 4.840 4.101 3.839 4.451 . 0 0 "[ . 1]" 1
1330 1 104 THR MG 1 106 GLU QB 3.750 . 3.750 2.929 2.713 3.180 . 0 0 "[ . 1]" 1
1331 1 105 VAL HA 1 108 LEU QD 4.170 . 4.170 3.303 3.081 3.642 . 0 0 "[ . 1]" 1
1332 1 105 VAL MG1 1 108 LEU QD 5.920 . 5.920 3.407 2.939 3.854 . 0 0 "[ . 1]" 1
1333 1 106 GLU H 1 106 GLU QB 3.410 . 3.410 2.449 2.420 2.516 . 0 0 "[ . 1]" 1
1334 1 106 GLU HG2 1 107 ASP QB 4.380 . 4.380 3.457 3.098 3.932 . 0 0 "[ . 1]" 1
1335 1 107 ASP HA 1 110 LYS QB 4.120 . 4.120 2.874 2.726 3.045 . 0 0 "[ . 1]" 1
1336 1 107 ASP QB 1 108 LEU H 4.250 . 4.250 2.801 2.654 2.859 . 0 0 "[ . 1]" 1
1337 1 107 ASP QB 1 108 LEU HB2 4.320 . 4.320 4.179 4.126 4.284 . 0 0 "[ . 1]" 1
1338 1 107 ASP QB 1 109 ILE H 5.440 . 5.440 5.046 4.886 5.087 . 0 0 "[ . 1]" 1
1339 1 108 LEU HA 1 108 LEU QD 3.560 . 3.560 2.441 1.962 2.878 . 0 0 "[ . 1]" 1
1340 1 108 LEU QD 1 109 ILE HA 5.920 . 5.920 3.839 3.439 4.186 . 0 0 "[ . 1]" 1
1341 1 108 LEU QD 1 111 PHE HB2 5.150 . 5.150 4.204 3.655 4.744 . 0 0 "[ . 1]" 1
1342 1 108 LEU QD 1 112 ILE MD 3.930 . 3.930 2.229 1.799 2.669 0.001 2 0 "[ . 1]" 1
1343 1 109 ILE HA 1 109 ILE QG 3.520 . 3.520 2.428 2.364 2.445 . 0 0 "[ . 1]" 1
1344 1 109 ILE QG 1 109 ILE MG 3.300 . 3.300 2.379 2.346 2.478 . 0 0 "[ . 1]" 1
1345 1 109 ILE MG 1 110 LYS QB 3.380 . 3.380 2.941 2.789 3.267 . 0 0 "[ . 1]" 1
1346 1 110 LYS H 1 110 LYS QB 3.360 . 3.360 2.174 2.057 2.247 . 0 0 "[ . 1]" 1
1347 1 110 LYS HA 1 110 LYS QG 3.550 . 3.550 2.286 2.056 2.490 . 0 0 "[ . 1]" 1
1348 1 110 LYS QB 1 111 PHE H 3.810 . 3.810 2.586 2.334 2.828 . 0 0 "[ . 1]" 1
1349 1 110 LYS QG 1 113 ALA MB 4.360 . 4.360 3.894 3.508 4.066 . 0 0 "[ . 1]" 1
1350 1 111 PHE HA 1 114 GLU QB 4.720 . 4.720 2.639 2.348 3.061 . 0 0 "[ . 1]" 1
1351 1 111 PHE QD 1 115 ASN QB 4.460 . 4.460 3.788 3.374 4.045 . 0 0 "[ . 1]" 1
1352 1 112 ILE HA 1 112 ILE QG 3.640 . 3.640 2.485 2.464 2.508 . 0 0 "[ . 1]" 1
1353 1 112 ILE HA 1 115 ASN QB 4.190 . 4.190 3.647 2.836 4.202 0.012 5 0 "[ . 1]" 1
1354 1 113 ALA HA 1 119 LYS QB 4.060 . 4.060 2.001 1.884 2.471 . 0 0 "[ . 1]" 1
1355 1 113 ALA MB 1 114 GLU QG 4.390 . 4.390 3.288 2.726 3.660 . 0 0 "[ . 1]" 1
1356 1 114 GLU H 1 114 GLU QB 3.370 . 3.370 2.321 2.140 2.579 . 0 0 "[ . 1]" 1
1357 1 114 GLU H 1 114 GLU QG 3.560 . 3.560 2.678 2.274 3.122 . 0 0 "[ . 1]" 1
1358 1 114 GLU HA 1 114 GLU QG 3.620 . 3.620 2.411 2.077 2.845 . 0 0 "[ . 1]" 1
1359 1 114 GLU QB 1 115 ASN HD21 4.350 . 4.350 2.915 2.416 3.925 . 0 0 "[ . 1]" 1
1360 1 114 GLU QG 1 115 ASN H 4.870 . 4.870 4.207 3.816 4.461 . 0 0 "[ . 1]" 1
1361 1 115 ASN H 1 115 ASN QB 3.420 . 3.420 2.669 2.415 2.796 . 0 0 "[ . 1]" 1
1362 1 115 ASN QB 1 115 ASN HD22 3.470 . 3.470 3.318 3.235 3.354 . 0 0 "[ . 1]" 1
1363 1 117 LYS H 1 117 LYS QB 3.420 . 3.420 2.260 2.144 2.735 . 0 0 "[ . 1]" 1
1364 1 117 LYS QB 1 118 TYR H 3.850 . 3.850 2.979 2.626 3.465 . 0 0 "[ . 1]" 1
1365 1 117 LYS QB 1 118 TYR QD 5.150 . 5.150 4.052 2.615 4.740 . 0 0 "[ . 1]" 1
1366 1 118 TYR H 1 118 TYR QB 3.580 . 3.580 2.198 2.085 2.289 . 0 0 "[ . 1]" 1
1367 1 118 TYR QB 1 119 LYS H 4.120 . 4.120 3.205 2.809 3.708 . 0 0 "[ . 1]" 1
1368 1 118 TYR QB 1 119 LYS HA 5.060 . 5.060 4.084 3.928 4.286 . 0 0 "[ . 1]" 1
1369 1 13 VAL QG 1 73 ASN QB 5.000 . 5.000 4.911 4.699 5.009 0.009 10 0 "[ . 1]" 1
1370 1 13 VAL QG 1 73 ASN HD22 5.000 . 5.000 4.786 2.764 5.013 0.013 5 0 "[ . 1]" 1
1371 1 39 HIS HA 1 40 CYS HA 5.000 . 5.000 4.587 4.559 4.675 . 0 0 "[ . 1]" 1
1372 1 36 TRP HE1 1 82 PHE QE 5.000 . 5.000 3.783 3.406 4.413 . 0 0 "[ . 1]" 1
1373 1 39 HIS QB 1 83 PRO QG 5.000 . 5.000 3.369 3.090 4.027 . 0 0 "[ . 1]" 1
1374 1 38 GLY QA 1 41 LYS H 5.000 . 5.000 3.993 3.817 4.155 . 0 0 "[ . 1]" 1
1375 1 39 HIS HA 1 42 ALA H 5.000 . 5.000 4.480 4.365 4.543 . 0 0 "[ . 1]" 1
1376 1 54 TYR QD 1 59 PHE QD 5.000 . 5.000 4.508 3.571 4.870 . 0 0 "[ . 1]" 1
1377 1 70 ALA HA 1 82 PHE QE 5.000 . 5.000 4.568 4.312 5.004 0.004 3 0 "[ . 1]" 1
1378 1 32 PHE QD 1 71 THR MG 5.000 . 5.000 5.029 5.013 5.045 0.045 8 0 "[ . 1]" 1
1379 1 32 PHE QD 1 77 ASP QB 4.000 . 4.000 3.781 3.507 4.003 0.003 1 0 "[ . 1]" 1
1380 1 79 ILE HA 1 80 GLN H 5.000 . 5.000 2.359 2.355 2.363 . 0 0 "[ . 1]" 1
1381 1 85 ILE MD 1 99 TYR QD 5.000 . 5.000 2.207 2.016 2.439 . 0 0 "[ . 1]" 1
1382 1 22 LEU MD2 1 93 LYS QG 5.000 . 5.000 3.891 2.757 4.501 . 0 0 "[ . 1]" 1
1383 1 22 LEU MD2 1 93 LYS QB 5.000 . 5.000 3.755 3.574 3.931 . 0 0 "[ . 1]" 1
1384 1 88 TYR QD 1 93 LYS QB 5.000 . 5.000 2.419 1.940 2.821 . 0 0 "[ . 1]" 1
1385 1 77 ASP QB 1 98 THR MG 5.000 . 5.000 4.732 4.276 5.007 0.007 2 0 "[ . 1]" 1
1386 1 99 TYR HA 1 100 SER H 5.000 . 5.000 2.606 2.550 2.633 . 0 0 "[ . 1]" 1
1387 1 101 GLY H 1 102 SER QB 5.000 . 5.000 4.805 3.920 5.013 0.013 3 0 "[ . 1]" 1
1388 1 99 TYR QD 1 101 GLY QA 5.000 . 5.000 5.022 5.013 5.038 0.038 6 0 "[ . 1]" 1
1389 1 99 TYR QD 1 108 LEU MD1 5.000 . 5.000 4.077 3.274 4.762 . 0 0 "[ . 1]" 1
1390 1 101 GLY H 1 102 SER H 5.000 . 5.000 3.942 3.721 4.167 . 0 0 "[ . 1]" 1
1391 1 83 PRO QD 1 102 SER H 5.000 . 5.000 5.015 5.005 5.032 0.032 8 0 "[ . 1]" 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 66
_Distance_constraint_stats_list.Viol_count 277
_Distance_constraint_stats_list.Viol_total 47.838
_Distance_constraint_stats_list.Viol_max 0.110
_Distance_constraint_stats_list.Viol_rms 0.0154
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0173
_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 10 THR 0.104 0.028 9 0 "[ . 1]"
1 16 ASN 0.000 0.000 . 0 "[ . 1]"
1 17 TYR 1.425 0.110 4 0 "[ . 1]"
1 18 ASN 0.255 0.031 9 0 "[ . 1]"
1 19 GLU 0.330 0.042 1 0 "[ . 1]"
1 20 ILE 0.000 0.000 . 0 "[ . 1]"
1 21 VAL 1.425 0.110 4 0 "[ . 1]"
1 22 LEU 0.255 0.031 9 0 "[ . 1]"
1 23 ASP 0.330 0.042 1 0 "[ . 1]"
1 28 VAL 0.111 0.025 2 0 "[ . 1]"
1 29 LEU 0.209 0.028 6 0 "[ . 1]"
1 30 ILE 0.265 0.040 2 0 "[ . 1]"
1 31 GLU 0.273 0.046 10 0 "[ . 1]"
1 32 PHE 0.454 0.055 8 0 "[ . 1]"
1 33 TYR 0.074 0.015 8 0 "[ . 1]"
1 43 LEU 0.030 0.010 9 0 "[ . 1]"
1 44 ALA 0.024 0.008 6 0 "[ . 1]"
1 45 PRO 0.059 0.027 3 0 "[ . 1]"
1 46 LYS 0.115 0.024 2 0 "[ . 1]"
1 47 TYR 0.169 0.020 3 0 "[ . 1]"
1 48 GLU 0.059 0.008 6 0 "[ . 1]"
1 49 GLU 0.068 0.027 3 0 "[ . 1]"
1 50 LEU 0.115 0.024 2 0 "[ . 1]"
1 51 GLY 0.178 0.020 3 0 "[ . 1]"
1 52 ALA 0.034 0.007 3 0 "[ . 1]"
1 53 LEU 0.010 0.004 3 0 "[ . 1]"
1 55 ALA 0.039 0.008 2 0 "[ . 1]"
1 64 VAL 0.102 0.028 6 0 "[ . 1]"
1 66 ALA 0.340 0.046 10 0 "[ . 1]"
1 67 LYS 0.104 0.028 9 0 "[ . 1]"
1 68 VAL 0.044 0.014 3 0 "[ . 1]"
1 70 ALA 0.070 0.015 8 0 "[ . 1]"
1 84 THR 0.454 0.055 8 0 "[ . 1]"
1 85 ILE 0.112 0.019 10 0 "[ . 1]"
1 86 LYS 0.265 0.040 2 0 "[ . 1]"
1 87 LEU 0.343 0.066 4 0 "[ . 1]"
1 88 TYR 0.111 0.025 2 0 "[ . 1]"
1 97 VAL 0.343 0.066 4 0 "[ . 1]"
1 99 TYR 0.112 0.019 10 0 "[ . 1]"
1 105 VAL 0.098 0.020 1 0 "[ . 1]"
1 106 GLU 0.069 0.015 6 0 "[ . 1]"
1 107 ASP 0.019 0.005 6 0 "[ . 1]"
1 108 LEU 0.108 0.022 6 0 "[ . 1]"
1 109 ILE 0.118 0.020 1 0 "[ . 1]"
1 110 LYS 0.134 0.019 1 0 "[ . 1]"
1 111 PHE 0.019 0.005 6 0 "[ . 1]"
1 112 ILE 0.108 0.022 6 0 "[ . 1]"
1 113 ALA 0.019 0.005 7 0 "[ . 1]"
1 114 GLU 0.066 0.019 1 0 "[ . 1]"
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 16 ASN O 1 20 ILE H 2.200 . 2.400 2.239 2.082 2.365 . 0 0 "[ . 1]" 2
2 1 16 ASN O 1 20 ILE N 3.200 3.000 3.400 3.176 3.025 3.279 . 0 0 "[ . 1]" 2
3 1 17 TYR O 1 21 VAL H 2.200 . 2.400 1.954 1.940 1.974 0.060 4 0 "[ . 1]" 2
4 1 17 TYR O 1 21 VAL N 3.200 3.000 3.400 2.904 2.890 2.922 0.110 4 0 "[ . 1]" 2
5 1 18 ASN O 1 22 LEU H 2.200 . 2.400 2.426 2.415 2.431 0.031 9 0 "[ . 1]" 2
6 1 18 ASN O 1 22 LEU N 3.200 3.000 3.400 3.241 3.225 3.284 . 0 0 "[ . 1]" 2
7 1 19 GLU O 1 23 ASP H 2.200 . 2.400 2.409 2.400 2.415 0.015 5 0 "[ . 1]" 2
8 1 19 GLU O 1 23 ASP N 3.200 3.000 3.400 2.976 2.958 2.995 0.042 1 0 "[ . 1]" 2
9 1 43 LEU O 1 47 TYR H 2.200 . 2.400 2.296 2.245 2.404 0.004 3 0 "[ . 1]" 2
10 1 43 LEU O 1 47 TYR N 3.200 3.000 3.400 3.026 2.990 3.119 0.010 9 0 "[ . 1]" 2
11 1 44 ALA O 1 48 GLU H 2.200 . 2.400 2.371 2.243 2.408 0.008 6 0 "[ . 1]" 2
12 1 44 ALA O 1 48 GLU N 3.200 3.000 3.400 3.159 3.083 3.217 . 0 0 "[ . 1]" 2
13 1 45 PRO O 1 49 GLU H 2.200 . 2.400 2.373 2.214 2.427 0.027 3 0 "[ . 1]" 2
14 1 45 PRO O 1 49 GLU N 3.200 3.000 3.400 3.254 3.107 3.320 . 0 0 "[ . 1]" 2
15 1 46 LYS O 1 50 LEU H 2.200 . 2.400 2.411 2.403 2.424 0.024 2 0 "[ . 1]" 2
16 1 46 LYS O 1 50 LEU N 3.200 3.000 3.400 3.374 3.327 3.397 . 0 0 "[ . 1]" 2
17 1 47 TYR O 1 51 GLY H 2.200 . 2.400 2.219 2.160 2.298 . 0 0 "[ . 1]" 2
18 1 47 TYR O 1 51 GLY N 3.200 3.000 3.400 2.986 2.980 2.993 0.020 3 0 "[ . 1]" 2
19 1 48 GLU O 1 52 ALA H 2.200 . 2.400 2.384 2.206 2.407 0.007 3 0 "[ . 1]" 2
20 1 48 GLU O 1 52 ALA N 3.200 3.000 3.400 3.290 3.080 3.362 . 0 0 "[ . 1]" 2
21 1 49 GLU O 1 53 LEU H 2.200 . 2.400 2.207 2.103 2.404 0.004 3 0 "[ . 1]" 2
22 1 49 GLU O 1 53 LEU N 3.200 3.000 3.400 3.099 2.999 3.334 0.001 6 0 "[ . 1]" 2
23 1 51 GLY O 1 55 ALA H 2.200 . 2.400 2.196 2.106 2.242 . 0 0 "[ . 1]" 2
24 1 51 GLY O 1 55 ALA N 3.200 3.000 3.400 2.997 2.992 3.005 0.008 2 0 "[ . 1]" 2
25 1 105 VAL O 1 109 ILE H 2.200 . 2.400 2.018 2.006 2.039 . 0 0 "[ . 1]" 2
26 1 105 VAL O 1 109 ILE N 3.200 3.000 3.400 2.991 2.980 3.008 0.020 1 0 "[ . 1]" 2
27 1 106 GLU O 1 110 LYS H 2.200 . 2.400 2.407 2.403 2.415 0.015 6 0 "[ . 1]" 2
28 1 106 GLU O 1 110 LYS N 3.200 3.000 3.400 3.338 3.296 3.359 . 0 0 "[ . 1]" 2
29 1 107 ASP O 1 111 PHE H 2.200 . 2.400 2.362 2.241 2.405 0.005 6 0 "[ . 1]" 2
30 1 107 ASP O 1 111 PHE N 3.200 3.000 3.400 3.237 3.123 3.360 . 0 0 "[ . 1]" 2
31 1 108 LEU O 1 112 ILE H 2.200 . 2.400 2.039 1.998 2.156 0.002 6 0 "[ . 1]" 2
32 1 108 LEU O 1 112 ILE N 3.200 3.000 3.400 2.989 2.978 2.999 0.022 6 0 "[ . 1]" 2
33 1 109 ILE O 1 113 ALA H 2.200 . 2.400 2.386 2.335 2.405 0.005 7 0 "[ . 1]" 2
34 1 109 ILE O 1 113 ALA N 3.200 3.000 3.400 3.207 3.116 3.292 . 0 0 "[ . 1]" 2
35 1 110 LYS O 1 114 GLU H 2.200 . 2.400 2.407 2.400 2.419 0.019 1 0 "[ . 1]" 2
36 1 110 LYS O 1 114 GLU N 3.200 3.000 3.400 3.214 3.169 3.294 . 0 0 "[ . 1]" 2
37 1 28 VAL H 1 88 TYR O 2.200 . 2.400 2.249 2.115 2.382 . 0 0 "[ . 1]" 2
38 1 28 VAL N 1 88 TYR O 3.200 3.000 3.400 3.223 3.090 3.358 . 0 0 "[ . 1]" 2
39 1 29 LEU H 1 64 VAL O 2.200 . 2.400 2.410 2.401 2.428 0.028 6 0 "[ . 1]" 2
40 1 29 LEU N 1 64 VAL O 3.200 3.000 3.400 3.273 3.206 3.338 . 0 0 "[ . 1]" 2
41 1 30 ILE H 1 86 LYS O 2.200 . 2.400 2.386 2.224 2.425 0.025 9 0 "[ . 1]" 2
42 1 30 ILE N 1 86 LYS O 3.200 3.000 3.400 3.239 3.186 3.262 . 0 0 "[ . 1]" 2
43 1 31 GLU H 1 66 ALA O 2.200 . 2.400 2.423 2.412 2.446 0.046 10 0 "[ . 1]" 2
44 1 31 GLU N 1 66 ALA O 3.200 3.000 3.400 3.311 3.265 3.348 . 0 0 "[ . 1]" 2
45 1 32 PHE H 1 84 THR O 2.200 . 2.400 2.090 1.994 2.234 0.006 2 0 "[ . 1]" 2
46 1 32 PHE N 1 84 THR O 3.200 3.000 3.400 2.977 2.961 2.994 0.039 1 0 "[ . 1]" 2
47 1 33 TYR H 1 68 VAL O 2.200 . 2.400 2.293 2.080 2.404 0.004 6 0 "[ . 1]" 2
48 1 33 TYR N 1 68 VAL O 3.200 3.000 3.400 3.165 3.003 3.264 . 0 0 "[ . 1]" 2
49 1 29 LEU O 1 66 ALA H 2.200 . 2.400 2.153 2.091 2.290 . 0 0 "[ . 1]" 2
50 1 29 LEU O 1 66 ALA N 3.200 3.000 3.400 2.991 2.976 3.021 0.024 9 0 "[ . 1]" 2
51 1 10 THR O 1 67 LYS H 2.200 . 2.400 2.402 2.313 2.428 0.028 9 0 "[ . 1]" 2
52 1 10 THR O 1 67 LYS N 3.200 3.000 3.400 3.211 3.104 3.313 . 0 0 "[ . 1]" 2
53 1 31 GLU O 1 68 VAL H 2.200 . 2.400 2.284 2.072 2.409 0.009 10 0 "[ . 1]" 2
54 1 31 GLU O 1 68 VAL N 3.200 3.000 3.400 3.095 2.986 3.291 0.014 3 0 "[ . 1]" 2
55 1 32 PHE O 1 84 THR H 2.200 . 2.400 2.414 2.317 2.455 0.055 8 0 "[ . 1]" 2
56 1 32 PHE O 1 84 THR N 3.200 3.000 3.400 3.238 3.129 3.323 . 0 0 "[ . 1]" 2
57 1 30 ILE O 1 86 LYS H 2.200 . 2.400 2.073 2.031 2.127 . 0 0 "[ . 1]" 2
58 1 30 ILE O 1 86 LYS N 3.200 3.000 3.400 2.994 2.960 3.052 0.040 2 0 "[ . 1]" 2
59 1 28 VAL O 1 88 TYR H 2.200 . 2.400 2.403 2.329 2.425 0.025 2 0 "[ . 1]" 2
60 1 28 VAL O 1 88 TYR N 3.200 3.000 3.400 3.252 3.143 3.303 . 0 0 "[ . 1]" 2
61 1 87 LEU O 1 97 VAL H 2.200 . 2.400 2.433 2.417 2.466 0.066 4 0 "[ . 1]" 2
62 1 87 LEU O 1 97 VAL N 3.200 3.000 3.400 3.360 3.311 3.408 0.008 4 0 "[ . 1]" 2
63 1 85 ILE O 1 99 TYR H 2.200 . 2.400 2.411 2.404 2.419 0.019 10 0 "[ . 1]" 2
64 1 85 ILE O 1 99 TYR N 3.200 3.000 3.400 3.252 3.186 3.324 . 0 0 "[ . 1]" 2
65 1 33 TYR O 1 70 ALA H 2.200 . 2.400 2.276 2.071 2.415 0.015 8 0 "[ . 1]" 2
66 1 33 TYR O 1 70 ALA N 3.200 3.000 3.400 3.177 2.988 3.330 0.012 10 0 "[ . 1]" 2
stop_
save_
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