NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425907 |
2gtj   |
6536 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gtj
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 1034
_Distance_constraint_stats_list.Viol_count 1729
_Distance_constraint_stats_list.Viol_total 1911.438
_Distance_constraint_stats_list.Viol_max 0.329
_Distance_constraint_stats_list.Viol_rms 0.0221
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0553
_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 12 GLU 0.173 0.155 15 0 "[ . 1 . 2]"
1 13 GLN 2.257 0.155 15 0 "[ . 1 . 2]"
1 14 GLU 1.746 0.154 13 0 "[ . 1 . 2]"
1 15 ILE 4.581 0.284 7 0 "[ . 1 . 2]"
1 16 LYS 3.690 0.202 19 0 "[ . 1 . 2]"
1 17 LYS 0.663 0.098 5 0 "[ . 1 . 2]"
1 18 LYS 0.153 0.049 12 0 "[ . 1 . 2]"
1 19 PHE 1.592 0.110 13 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 2.342 0.202 19 0 "[ . 1 . 2]"
1 22 THR 0.445 0.082 4 0 "[ . 1 . 2]"
1 24 PRO 0.772 0.093 12 0 "[ . 1 . 2]"
1 25 ILE 0.898 0.093 12 0 "[ . 1 . 2]"
1 26 GLN 0.319 0.073 11 0 "[ . 1 . 2]"
1 27 VAL 1.495 0.122 18 0 "[ . 1 . 2]"
1 28 ILE 1.439 0.122 18 0 "[ . 1 . 2]"
1 29 HIS 3.888 0.135 9 0 "[ . 1 . 2]"
1 30 LEU 0.849 0.057 18 0 "[ . 1 . 2]"
1 31 ALA 8.027 0.265 1 0 "[ . 1 . 2]"
1 32 LYS 2.780 0.114 6 0 "[ . 1 . 2]"
1 33 ALA 4.753 0.173 12 0 "[ . 1 . 2]"
1 34 CYS 0.141 0.027 5 0 "[ . 1 . 2]"
1 35 CYS 0.872 0.085 11 0 "[ . 1 . 2]"
1 36 ASP 1.775 0.114 13 0 "[ . 1 . 2]"
1 37 VAL 2.033 0.239 6 0 "[ . 1 . 2]"
1 38 LYS 0.647 0.192 20 0 "[ . 1 . 2]"
1 39 GLY 1.846 0.192 20 0 "[ . 1 . 2]"
1 40 GLY 1.794 0.175 11 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.560 0.212 1 0 "[ . 1 . 2]"
1 43 GLU 3.109 0.175 11 0 "[ . 1 . 2]"
1 44 LEU 5.979 0.252 8 0 "[ . 1 . 2]"
1 45 SER 0.964 0.056 3 0 "[ . 1 . 2]"
1 46 PHE 2.961 0.189 13 0 "[ . 1 . 2]"
1 47 LYS 2.093 0.119 17 0 "[ . 1 . 2]"
1 48 GLN 1.997 0.114 13 0 "[ . 1 . 2]"
1 49 GLY 0.028 0.028 11 0 "[ . 1 . 2]"
1 50 GLU 1.826 0.090 17 0 "[ . 1 . 2]"
1 51 GLN 2.234 0.119 17 0 "[ . 1 . 2]"
1 52 ILE 4.545 0.289 16 0 "[ . 1 . 2]"
1 53 GLU 3.507 0.143 8 0 "[ . 1 . 2]"
1 54 ILE 1.887 0.175 4 0 "[ . 1 . 2]"
1 55 ILE 1.084 0.240 13 0 "[ . 1 . 2]"
1 56 ARG 2.501 0.110 13 0 "[ . 1 . 2]"
1 57 ILE 0.328 0.112 17 0 "[ . 1 . 2]"
1 58 THR 0.288 0.059 12 0 "[ . 1 . 2]"
1 59 ASP 0.512 0.106 7 0 "[ . 1 . 2]"
1 60 ASN 0.163 0.043 13 0 "[ . 1 . 2]"
1 62 GLU 0.633 0.158 14 0 "[ . 1 . 2]"
1 63 GLY 0.063 0.034 4 0 "[ . 1 . 2]"
1 64 LYS 3.488 0.158 14 0 "[ . 1 . 2]"
1 65 TRP 2.965 0.175 4 0 "[ . 1 . 2]"
1 66 LEU 2.214 0.239 9 0 "[ . 1 . 2]"
1 67 GLY 0.394 0.063 10 0 "[ . 1 . 2]"
1 68 ARG 5.095 0.130 4 0 "[ . 1 . 2]"
1 69 THR 4.135 0.130 4 0 "[ . 1 . 2]"
1 70 ALA 0.501 0.083 20 0 "[ . 1 . 2]"
1 71 ARG 1.836 0.119 5 0 "[ . 1 . 2]"
1 72 GLY 2.477 0.116 20 0 "[ . 1 . 2]"
1 73 SER 8.732 0.329 3 0 "[ . 1 . 2]"
1 74 TYR 14.101 0.329 3 0 "[ . 1 . 2]"
1 75 GLY 2.683 0.252 8 0 "[ . 1 . 2]"
1 76 TYR 7.974 0.284 7 0 "[ . 1 . 2]"
1 77 ILE 10.850 0.280 11 0 "[ . 1 . 2]"
1 78 LYS 6.151 0.246 4 0 "[ . 1 . 2]"
1 79 THR 12.950 0.280 11 0 "[ . 1 . 2]"
1 80 THR 0.435 0.063 19 0 "[ . 1 . 2]"
1 81 ALA 0.400 0.239 6 0 "[ . 1 . 2]"
1 82 VAL 5.391 0.289 16 0 "[ . 1 . 2]"
1 83 GLU 1.399 0.121 16 0 "[ . 1 . 2]"
1 84 ILE 5.134 0.265 1 0 "[ . 1 . 2]"
1 85 ASP 1.741 0.149 15 0 "[ . 1 . 2]"
1 86 TYR 0.574 0.129 8 0 "[ . 1 . 2]"
1 87 ASP 0.293 0.129 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 GLU HA 1 13 GLN H 2.385 . 2.970 2.531 2.145 3.125 0.155 15 0 "[ . 1 . 2]" 1
2 1 12 GLU HB2 1 15 ILE MD 4.520 . 7.240 4.213 2.404 6.057 . 0 0 "[ . 1 . 2]" 1
3 1 12 GLU HB2 1 15 ILE HG12 3.530 . 5.260 3.290 1.783 4.945 0.017 1 0 "[ . 1 . 2]" 1
4 1 12 GLU HB2 1 15 ILE MG 3.680 . 5.560 3.289 2.031 4.482 . 0 0 "[ . 1 . 2]" 1
5 1 12 GLU HB3 1 15 ILE HG12 3.530 . 5.260 3.597 1.829 5.188 . 0 0 "[ . 1 . 2]" 1
6 1 13 GLN HA 1 14 GLU H 2.540 . 3.280 3.346 3.158 3.434 0.154 13 0 "[ . 1 . 2]" 1
7 1 13 GLN HA 1 15 ILE HG12 3.465 . 5.130 4.707 3.431 5.229 0.099 1 0 "[ . 1 . 2]" 1
8 1 13 GLN HB3 1 14 GLU H 2.835 . 3.870 3.296 2.453 3.978 0.108 4 0 "[ . 1 . 2]" 1
9 1 14 GLU H 1 15 ILE H 2.860 . 3.920 2.676 2.084 3.054 . 0 0 "[ . 1 . 2]" 1
10 1 14 GLU HA 1 15 ILE H 2.645 . 3.490 3.322 2.719 3.524 0.034 19 0 "[ . 1 . 2]" 1
11 1 14 GLU HB2 1 15 ILE HA 3.650 . 5.500 4.412 3.958 4.786 . 0 0 "[ . 1 . 2]" 1
12 1 14 GLU HB3 1 15 ILE HA 3.650 . 5.500 4.459 3.921 5.449 . 0 0 "[ . 1 . 2]" 1
13 1 15 ILE H 1 16 LYS H 2.515 . 3.230 2.328 1.978 2.750 . 0 0 "[ . 1 . 2]" 1
14 1 15 ILE H 1 16 LYS HD2 3.585 . 5.370 4.711 3.165 5.456 0.086 18 0 "[ . 1 . 2]" 1
15 1 15 ILE H 1 16 LYS HD3 3.585 . 5.370 4.935 3.648 5.515 0.145 10 0 "[ . 1 . 2]" 1
16 1 15 ILE H 1 18 LYS HE2 4.010 . 6.220 5.429 4.861 6.269 0.049 12 0 "[ . 1 . 2]" 1
17 1 15 ILE H 1 21 LEU MD2 4.005 . 6.210 5.122 4.736 5.267 . 0 0 "[ . 1 . 2]" 1
18 1 15 ILE H 1 76 TYR QE 4.550 . 7.300 4.297 3.915 4.775 . 0 0 "[ . 1 . 2]" 1
19 1 15 ILE HA 1 18 LYS H 2.645 . 3.490 3.342 2.993 3.509 0.019 15 0 "[ . 1 . 2]" 1
20 1 15 ILE HA 1 18 LYS HB2 2.760 . 3.720 2.804 2.221 3.176 . 0 0 "[ . 1 . 2]" 1
21 1 15 ILE HA 1 18 LYS HB3 2.760 . 3.720 2.771 2.316 3.551 . 0 0 "[ . 1 . 2]" 1
22 1 15 ILE HA 1 18 LYS HG2 3.705 . 5.610 4.086 2.747 5.246 . 0 0 "[ . 1 . 2]" 1
23 1 15 ILE HA 1 74 TYR HB2 3.650 . 5.500 5.282 4.806 5.558 0.058 12 0 "[ . 1 . 2]" 1
24 1 15 ILE HA 1 76 TYR QD 4.430 . 7.060 4.075 3.730 4.509 . 0 0 "[ . 1 . 2]" 1
25 1 15 ILE HA 1 76 TYR QE 4.070 . 6.340 1.823 1.516 2.165 0.284 7 0 "[ . 1 . 2]" 1
26 1 15 ILE HB 1 21 LEU MD2 3.300 . 4.800 3.393 2.770 3.902 . 0 0 "[ . 1 . 2]" 1
27 1 15 ILE HB 1 74 TYR HB2 2.690 . 3.580 3.382 2.626 3.694 0.114 3 0 "[ . 1 . 2]" 1
28 1 15 ILE HB 1 74 TYR QD 4.685 . 7.570 4.243 3.947 4.640 . 0 0 "[ . 1 . 2]" 1
29 1 15 ILE HB 1 76 TYR QD 4.120 . 6.440 3.517 2.943 4.092 . 0 0 "[ . 1 . 2]" 1
30 1 15 ILE HB 1 76 TYR QE 4.295 . 6.790 2.110 1.628 2.509 0.172 10 0 "[ . 1 . 2]" 1
31 1 15 ILE MD 1 15 ILE MG 3.420 . 5.040 2.775 2.129 3.145 . 0 0 "[ . 1 . 2]" 1
32 1 15 ILE MD 1 16 LYS H 3.400 . 5.000 3.371 2.767 4.111 . 0 0 "[ . 1 . 2]" 1
33 1 15 ILE MD 1 16 LYS HA 3.475 . 5.150 3.061 2.274 4.201 . 0 0 "[ . 1 . 2]" 1
34 1 15 ILE MD 1 17 LYS H 4.160 . 6.520 5.045 4.552 5.566 . 0 0 "[ . 1 . 2]" 1
35 1 15 ILE MD 1 19 PHE H 4.005 . 6.210 4.754 4.184 5.141 . 0 0 "[ . 1 . 2]" 1
36 1 15 ILE MD 1 19 PHE HB2 4.160 . 6.520 4.915 4.254 5.283 . 0 0 "[ . 1 . 2]" 1
37 1 15 ILE MD 1 20 LYS H 4.160 . 6.520 5.105 4.766 5.312 . 0 0 "[ . 1 . 2]" 1
38 1 15 ILE MD 1 21 LEU MD2 3.210 . 4.620 2.035 1.852 2.274 . 0 0 "[ . 1 . 2]" 1
39 1 15 ILE MD 1 74 TYR H 4.160 . 6.520 4.848 4.204 5.354 . 0 0 "[ . 1 . 2]" 1
40 1 15 ILE MD 1 74 TYR HB2 3.465 . 5.130 3.034 2.379 3.557 . 0 0 "[ . 1 . 2]" 1
41 1 15 ILE MD 1 74 TYR HB3 3.400 . 5.000 2.786 2.203 3.278 . 0 0 "[ . 1 . 2]" 1
42 1 15 ILE MD 1 74 TYR QD 4.420 . 7.040 2.883 2.703 3.111 . 0 0 "[ . 1 . 2]" 1
43 1 15 ILE MD 1 74 TYR QE 4.670 . 7.540 3.516 3.268 3.910 . 0 0 "[ . 1 . 2]" 1
44 1 15 ILE MD 1 76 TYR QE 4.465 . 7.130 3.851 3.384 4.165 . 0 0 "[ . 1 . 2]" 1
45 1 15 ILE HG12 1 15 ILE MG 2.670 . 3.540 2.165 2.088 2.223 . 0 0 "[ . 1 . 2]" 1
46 1 15 ILE HG12 1 16 LYS H 2.885 . 3.970 3.680 3.005 4.047 0.077 12 0 "[ . 1 . 2]" 1
47 1 15 ILE HG12 1 74 TYR HB2 3.005 . 4.210 3.338 2.474 4.246 0.036 8 0 "[ . 1 . 2]" 1
48 1 15 ILE HG13 1 15 ILE MG 3.025 . 4.250 2.873 2.668 3.170 . 0 0 "[ . 1 . 2]" 1
49 1 15 ILE HG13 1 16 LYS HA 2.810 . 3.820 3.523 2.892 3.873 0.053 4 0 "[ . 1 . 2]" 1
50 1 15 ILE MG 1 18 LYS HB2 3.970 . 6.140 4.512 3.916 4.905 . 0 0 "[ . 1 . 2]" 1
51 1 15 ILE MG 1 18 LYS HE2 4.160 . 6.520 5.106 4.499 5.326 . 0 0 "[ . 1 . 2]" 1
52 1 15 ILE MG 1 18 LYS HE3 4.160 . 6.520 5.133 4.638 5.297 . 0 0 "[ . 1 . 2]" 1
53 1 15 ILE MG 1 74 TYR HA 4.160 . 6.520 4.273 4.094 4.404 . 0 0 "[ . 1 . 2]" 1
54 1 15 ILE MG 1 74 TYR HB2 3.200 . 4.600 1.901 1.633 2.246 0.167 16 0 "[ . 1 . 2]" 1
55 1 15 ILE MG 1 74 TYR HB3 3.555 . 5.310 2.694 2.405 3.172 . 0 0 "[ . 1 . 2]" 1
56 1 15 ILE MG 1 74 TYR QD 4.315 . 6.830 3.360 2.966 3.914 . 0 0 "[ . 1 . 2]" 1
57 1 15 ILE MG 1 76 TYR QD 4.775 . 7.750 3.979 3.562 4.543 . 0 0 "[ . 1 . 2]" 1
58 1 15 ILE MG 1 76 TYR QE 4.070 . 6.340 2.396 1.784 3.136 0.016 9 0 "[ . 1 . 2]" 1
59 1 16 LYS H 1 17 LYS H 2.615 . 3.430 2.517 2.198 3.008 . 0 0 "[ . 1 . 2]" 1
60 1 16 LYS H 1 21 LEU MD2 3.425 . 5.050 3.879 3.656 4.163 . 0 0 "[ . 1 . 2]" 1
61 1 16 LYS H 1 76 TYR QE 4.690 . 7.580 4.834 4.565 5.169 . 0 0 "[ . 1 . 2]" 1
62 1 16 LYS HA 1 17 LYS H 2.590 . 3.380 3.369 3.194 3.478 0.098 5 0 "[ . 1 . 2]" 1
63 1 16 LYS HA 1 21 LEU HB2 4.000 4.000 4.000 3.919 3.798 3.983 0.202 19 0 "[ . 1 . 2]" 1
64 1 16 LYS HA 1 21 LEU MD2 3.020 . 4.240 2.020 1.610 2.485 0.190 19 0 "[ . 1 . 2]" 1
65 1 17 LYS H 1 18 LYS H 2.635 . 3.470 2.248 1.864 2.646 . 0 0 "[ . 1 . 2]" 1
66 1 17 LYS H 1 21 LEU MD2 4.160 . 6.520 4.500 4.227 4.688 . 0 0 "[ . 1 . 2]" 1
67 1 17 LYS HA 1 18 LYS H 2.640 . 3.480 3.298 3.115 3.488 0.008 17 0 "[ . 1 . 2]" 1
68 1 18 LYS H 1 19 PHE H 2.470 . 3.140 2.534 2.121 2.810 . 0 0 "[ . 1 . 2]" 1
69 1 18 LYS H 1 19 PHE HB3 3.650 . 5.500 4.976 4.585 5.437 . 0 0 "[ . 1 . 2]" 1
70 1 18 LYS H 1 66 LEU MD1 4.670 . 7.540 6.108 5.771 6.211 . 0 0 "[ . 1 . 2]" 1
71 1 18 LYS H 1 76 TYR QD 4.715 . 7.630 5.656 5.460 5.910 . 0 0 "[ . 1 . 2]" 1
72 1 18 LYS H 1 76 TYR QE 4.480 . 7.160 4.312 3.833 4.781 . 0 0 "[ . 1 . 2]" 1
73 1 18 LYS HA 1 76 TYR QD 4.715 . 7.630 6.033 5.762 6.231 . 0 0 "[ . 1 . 2]" 1
74 1 18 LYS HA 1 76 TYR QE 4.715 . 7.630 5.248 4.989 5.610 . 0 0 "[ . 1 . 2]" 1
75 1 18 LYS HB2 1 19 PHE H 2.650 . 3.500 3.367 2.153 3.517 0.017 2 0 "[ . 1 . 2]" 1
76 1 18 LYS HB2 1 76 TYR QD 4.270 . 6.740 4.924 3.957 5.255 . 0 0 "[ . 1 . 2]" 1
77 1 18 LYS HB2 1 76 TYR QE 4.325 . 6.850 3.479 2.777 3.870 . 0 0 "[ . 1 . 2]" 1
78 1 18 LYS HB3 1 19 PHE H 2.650 . 3.500 2.259 1.956 3.209 . 0 0 "[ . 1 . 2]" 1
79 1 18 LYS HE2 1 19 PHE H 3.945 . 6.090 5.262 4.950 6.077 . 0 0 "[ . 1 . 2]" 1
80 1 18 LYS HE2 1 76 TYR QD 4.715 . 7.630 5.885 4.849 6.635 . 0 0 "[ . 1 . 2]" 1
81 1 18 LYS HE2 1 76 TYR QE 4.110 . 6.420 4.244 2.862 4.836 . 0 0 "[ . 1 . 2]" 1
82 1 18 LYS HE3 1 76 TYR QD 4.715 . 7.630 5.215 4.328 6.462 . 0 0 "[ . 1 . 2]" 1
83 1 18 LYS HE3 1 76 TYR QE 4.110 . 6.420 3.424 2.258 4.644 . 0 0 "[ . 1 . 2]" 1
84 1 18 LYS HG2 1 19 PHE H 3.975 . 6.150 4.391 3.998 4.791 . 0 0 "[ . 1 . 2]" 1
85 1 18 LYS HG2 1 19 PHE HB2 4.010 . 6.220 5.173 4.389 6.226 0.006 12 0 "[ . 1 . 2]" 1
86 1 18 LYS HG2 1 76 TYR QD 4.125 . 6.450 3.845 3.124 5.955 . 0 0 "[ . 1 . 2]" 1
87 1 18 LYS HG2 1 76 TYR QE 4.310 . 6.820 2.933 2.358 4.306 . 0 0 "[ . 1 . 2]" 1
88 1 18 LYS HG3 1 76 TYR QD 4.125 . 6.450 4.490 4.073 5.830 . 0 0 "[ . 1 . 2]" 1
89 1 18 LYS HG3 1 76 TYR QE 4.310 . 6.820 4.055 3.170 4.924 . 0 0 "[ . 1 . 2]" 1
90 1 19 PHE H 1 21 LEU H 3.650 . 5.500 5.010 4.785 5.335 . 0 0 "[ . 1 . 2]" 1
91 1 19 PHE H 1 21 LEU MD1 3.570 . 5.340 4.320 4.077 4.388 . 0 0 "[ . 1 . 2]" 1
92 1 19 PHE H 1 66 LEU MD1 4.085 . 6.370 4.428 4.104 4.732 . 0 0 "[ . 1 . 2]" 1
93 1 19 PHE H 1 76 TYR HB3 3.650 . 5.500 5.381 4.976 5.540 0.040 4 0 "[ . 1 . 2]" 1
94 1 19 PHE H 1 76 TYR QD 4.030 . 6.260 3.825 3.509 4.278 . 0 0 "[ . 1 . 2]" 1
95 1 19 PHE HB2 1 20 LYS H 3.090 . 4.380 3.825 3.645 4.008 . 0 0 "[ . 1 . 2]" 1
96 1 19 PHE HB2 1 21 LEU MD1 3.630 . 5.460 3.569 3.365 3.787 . 0 0 "[ . 1 . 2]" 1
97 1 19 PHE HB2 1 21 LEU MD2 3.235 . 4.670 3.517 3.338 3.744 . 0 0 "[ . 1 . 2]" 1
98 1 19 PHE HB2 1 66 LEU MD1 3.760 . 5.720 2.700 2.337 2.991 . 0 0 "[ . 1 . 2]" 1
99 1 19 PHE HB2 1 66 LEU MD2 3.760 . 5.720 3.488 3.274 3.702 . 0 0 "[ . 1 . 2]" 1
100 1 19 PHE HB2 1 76 TYR H 3.650 . 5.500 5.256 4.991 5.533 0.033 12 0 "[ . 1 . 2]" 1
101 1 19 PHE HB2 1 76 TYR HB3 2.710 . 3.620 3.255 2.882 3.653 0.033 8 0 "[ . 1 . 2]" 1
102 1 19 PHE HB2 1 76 TYR QD 3.675 . 5.550 2.251 1.724 2.849 0.076 6 0 "[ . 1 . 2]" 1
103 1 19 PHE HB2 1 76 TYR QE 4.445 . 7.090 3.580 3.060 4.264 . 0 0 "[ . 1 . 2]" 1
104 1 19 PHE HB3 1 20 LYS H 3.205 . 4.610 2.916 2.636 3.148 . 0 0 "[ . 1 . 2]" 1
105 1 19 PHE HB3 1 21 LEU H 3.495 . 5.190 4.477 4.273 4.638 . 0 0 "[ . 1 . 2]" 1
106 1 19 PHE HB3 1 21 LEU MD1 3.330 . 4.860 2.269 2.040 2.431 . 0 0 "[ . 1 . 2]" 1
107 1 19 PHE HB3 1 21 LEU MD2 3.305 . 4.810 2.396 2.265 2.535 . 0 0 "[ . 1 . 2]" 1
108 1 19 PHE HB3 1 56 ARG HB2 3.620 . 5.440 5.457 4.925 5.550 0.110 13 0 "[ . 1 . 2]" 1
109 1 19 PHE HB3 1 66 LEU MD1 3.695 . 5.590 3.282 2.883 3.543 . 0 0 "[ . 1 . 2]" 1
110 1 19 PHE HB3 1 66 LEU MD2 3.695 . 5.590 2.855 2.673 3.123 . 0 0 "[ . 1 . 2]" 1
111 1 19 PHE HB3 1 76 TYR QD 3.920 . 6.040 3.614 3.139 4.055 . 0 0 "[ . 1 . 2]" 1
112 1 19 PHE HB3 1 76 TYR QE 4.490 . 7.180 4.468 3.970 5.205 . 0 0 "[ . 1 . 2]" 1
113 1 19 PHE QD 1 21 LEU MD1 4.540 . 7.280 2.133 1.891 2.549 . 0 0 "[ . 1 . 2]" 1
114 1 19 PHE QD 1 56 ARG H 4.715 . 7.630 5.865 5.526 6.084 . 0 0 "[ . 1 . 2]" 1
115 1 19 PHE QD 1 64 LYS HB2 4.715 . 7.630 5.789 5.428 5.995 . 0 0 "[ . 1 . 2]" 1
116 1 19 PHE QD 1 65 TRP HA 4.340 . 6.880 4.669 4.301 5.133 . 0 0 "[ . 1 . 2]" 1
117 1 19 PHE QD 1 66 LEU HA 3.915 . 6.030 3.693 3.438 4.084 . 0 0 "[ . 1 . 2]" 1
118 1 19 PHE QD 1 66 LEU HB2 4.090 . 6.380 2.848 2.520 3.197 . 0 0 "[ . 1 . 2]" 1
119 1 19 PHE QD 1 66 LEU HB3 4.130 . 6.460 4.307 4.168 4.537 . 0 0 "[ . 1 . 2]" 1
120 1 19 PHE QD 1 66 LEU MD1 4.465 . 7.130 2.977 2.701 3.326 . 0 0 "[ . 1 . 2]" 1
121 1 19 PHE QD 1 66 LEU MD2 4.465 . 7.130 3.438 2.999 3.652 . 0 0 "[ . 1 . 2]" 1
122 1 19 PHE QE 1 54 ILE MD 5.140 . 8.480 4.722 4.485 4.950 . 0 0 "[ . 1 . 2]" 1
123 1 19 PHE QE 1 57 ILE MD 5.225 . 8.650 5.490 5.139 5.708 . 0 0 "[ . 1 . 2]" 1
124 1 19 PHE QE 1 57 ILE MG 5.110 . 8.420 5.151 4.868 5.499 . 0 0 "[ . 1 . 2]" 1
125 1 19 PHE QE 1 65 TRP HB3 4.560 . 7.320 4.428 4.095 4.899 . 0 0 "[ . 1 . 2]" 1
126 1 19 PHE QE 1 66 LEU MD1 5.735 . 9.670 4.172 3.999 4.442 . 0 0 "[ . 1 . 2]" 1
127 1 19 PHE QE 1 79 THR MG 4.855 . 7.910 5.239 5.006 5.492 . 0 0 "[ . 1 . 2]" 1
128 1 19 PHE HZ 1 54 ILE MD 4.040 . 6.280 4.814 4.491 5.078 . 0 0 "[ . 1 . 2]" 1
129 1 19 PHE HZ 1 57 ILE MD 4.160 . 6.520 5.354 5.295 5.410 . 0 0 "[ . 1 . 2]" 1
130 1 19 PHE HZ 1 57 ILE MG 4.160 . 6.520 4.717 4.402 5.256 . 0 0 "[ . 1 . 2]" 1
131 1 20 LYS H 1 21 LEU H 2.650 . 3.500 3.219 3.056 3.424 . 0 0 "[ . 1 . 2]" 1
132 1 20 LYS H 1 21 LEU MD2 3.865 . 5.930 2.647 2.555 2.791 . 0 0 "[ . 1 . 2]" 1
133 1 20 LYS H 1 76 TYR QD 4.715 . 7.630 5.528 5.112 6.072 . 0 0 "[ . 1 . 2]" 1
134 1 20 LYS H 1 76 TYR QE 4.715 . 7.630 5.271 4.642 6.168 . 0 0 "[ . 1 . 2]" 1
135 1 20 LYS HA 1 21 LEU H 2.370 . 2.940 2.103 1.979 2.173 . 0 0 "[ . 1 . 2]" 1
136 1 20 LYS HA 1 21 LEU MD1 3.475 . 5.150 4.067 4.023 4.099 . 0 0 "[ . 1 . 2]" 1
137 1 20 LYS HA 1 21 LEU MD2 3.115 . 4.430 3.151 2.934 3.313 . 0 0 "[ . 1 . 2]" 1
138 1 20 LYS HA 1 22 THR MG 4.095 . 6.390 4.058 3.208 5.343 . 0 0 "[ . 1 . 2]" 1
139 1 21 LEU H 1 22 THR MG 3.675 . 5.550 3.817 3.045 4.704 . 0 0 "[ . 1 . 2]" 1
140 1 21 LEU HA 1 22 THR H 2.625 . 3.450 3.436 3.320 3.501 0.051 20 0 "[ . 1 . 2]" 1
141 1 21 LEU HB2 1 22 THR HA 3.650 . 5.500 4.151 3.507 4.782 . 0 0 "[ . 1 . 2]" 1
142 1 21 LEU HB2 1 22 THR MG 4.160 . 6.520 4.788 4.238 5.200 . 0 0 "[ . 1 . 2]" 1
143 1 21 LEU HB3 1 22 THR H 3.075 . 4.350 3.486 2.688 4.056 . 0 0 "[ . 1 . 2]" 1
144 1 21 LEU HB3 1 22 THR HA 3.650 . 5.500 5.083 4.435 5.582 0.082 4 0 "[ . 1 . 2]" 1
145 1 21 LEU HB3 1 22 THR MG 4.160 . 6.520 5.366 5.026 5.675 . 0 0 "[ . 1 . 2]" 1
146 1 21 LEU MD1 1 22 THR H 3.670 . 5.540 4.305 4.084 4.417 . 0 0 "[ . 1 . 2]" 1
147 1 21 LEU MD1 1 56 ARG HB2 3.370 . 4.940 2.456 2.159 2.691 . 0 0 "[ . 1 . 2]" 1
148 1 21 LEU MD1 1 56 ARG HD2 3.880 . 5.960 2.283 1.757 3.115 0.043 8 0 "[ . 1 . 2]" 1
149 1 21 LEU MD1 1 74 TYR QD 4.900 . 8.000 4.863 4.576 5.162 . 0 0 "[ . 1 . 2]" 1
150 1 21 LEU MD2 1 74 TYR QD 4.405 . 7.010 4.431 3.979 4.797 . 0 0 "[ . 1 . 2]" 1
151 1 21 LEU MD2 1 74 TYR QE 4.805 . 7.810 4.960 4.422 5.468 . 0 0 "[ . 1 . 2]" 1
152 1 21 LEU MD2 1 76 TYR QD 4.515 . 7.230 4.246 4.146 4.364 . 0 0 "[ . 1 . 2]" 1
153 1 24 PRO HA 1 25 ILE H 2.635 . 3.470 2.178 2.050 2.431 . 0 0 "[ . 1 . 2]" 1
154 1 24 PRO HB3 1 25 ILE H 3.175 . 4.550 3.775 3.306 4.233 . 0 0 "[ . 1 . 2]" 1
155 1 24 PRO HD2 1 25 ILE H 3.650 . 5.500 5.260 4.826 5.530 0.030 1 0 "[ . 1 . 2]" 1
156 1 24 PRO HD3 1 25 ILE H 3.650 . 5.500 5.501 5.235 5.593 0.093 12 0 "[ . 1 . 2]" 1
157 1 24 PRO HG3 1 25 ILE H 3.600 . 5.400 5.199 4.852 5.467 0.067 15 0 "[ . 1 . 2]" 1
158 1 25 ILE H 1 26 GLN H 3.245 . 4.690 4.357 4.045 4.509 . 0 0 "[ . 1 . 2]" 1
159 1 25 ILE HA 1 26 GLN H 2.420 . 3.040 2.305 2.084 2.739 . 0 0 "[ . 1 . 2]" 1
160 1 25 ILE HA 1 26 GLN HA 3.110 . 4.420 4.378 4.289 4.465 0.045 19 0 "[ . 1 . 2]" 1
161 1 25 ILE HA 1 26 GLN HG2 3.650 . 5.500 4.157 3.840 5.307 . 0 0 "[ . 1 . 2]" 1
162 1 25 ILE MD 1 26 GLN H 3.080 . 4.360 3.068 1.983 3.742 . 0 0 "[ . 1 . 2]" 1
163 1 26 GLN H 1 27 VAL H 3.230 . 4.660 4.435 4.274 4.573 . 0 0 "[ . 1 . 2]" 1
164 1 26 GLN HA 1 27 VAL H 2.345 . 2.890 2.509 2.372 2.760 . 0 0 "[ . 1 . 2]" 1
165 1 26 GLN HA 1 27 VAL MG1 4.480 . 7.160 4.836 4.102 5.689 . 0 0 "[ . 1 . 2]" 1
166 1 26 GLN HB2 1 27 VAL H 2.330 . 2.860 2.300 1.945 2.564 . 0 0 "[ . 1 . 2]" 1
167 1 26 GLN HG2 1 27 VAL MG1 4.670 . 7.540 5.685 4.107 6.250 . 0 0 "[ . 1 . 2]" 1
168 1 26 GLN HG2 1 28 ILE MD 4.160 . 6.520 3.499 2.493 5.229 . 0 0 "[ . 1 . 2]" 1
169 1 26 GLN HG3 1 27 VAL H 2.605 . 3.410 3.209 2.765 3.483 0.073 11 0 "[ . 1 . 2]" 1
170 1 26 GLN HG3 1 27 VAL MG1 3.795 . 5.790 4.417 2.862 4.849 . 0 0 "[ . 1 . 2]" 1
171 1 26 GLN HG3 1 28 ILE MD 4.160 . 6.520 3.149 2.181 5.155 . 0 0 "[ . 1 . 2]" 1
172 1 27 VAL H 1 28 ILE H 3.240 . 4.680 4.434 4.297 4.518 . 0 0 "[ . 1 . 2]" 1
173 1 27 VAL HA 1 28 ILE H 2.475 . 3.150 2.054 1.955 2.222 . 0 0 "[ . 1 . 2]" 1
174 1 27 VAL HA 1 54 ILE H 3.650 . 5.500 4.692 4.223 5.191 . 0 0 "[ . 1 . 2]" 1
175 1 27 VAL HA 1 55 ILE H 3.515 . 5.230 4.714 4.470 5.011 . 0 0 "[ . 1 . 2]" 1
176 1 27 VAL HA 1 55 ILE HA 2.730 . 3.660 2.549 2.172 2.909 . 0 0 "[ . 1 . 2]" 1
177 1 27 VAL HA 1 55 ILE MD 3.535 . 5.270 4.282 4.152 4.333 . 0 0 "[ . 1 . 2]" 1
178 1 27 VAL HB 1 28 ILE H 2.885 . 3.970 4.035 3.977 4.092 0.122 18 0 "[ . 1 . 2]" 1
179 1 27 VAL MG1 1 28 ILE H 3.445 . 5.090 3.257 2.458 3.985 . 0 0 "[ . 1 . 2]" 1
180 1 27 VAL MG1 1 29 HIS H 3.360 . 4.920 3.156 1.948 4.125 . 0 0 "[ . 1 . 2]" 1
181 1 27 VAL MG1 1 29 HIS HA 3.985 . 6.170 4.045 3.071 4.938 . 0 0 "[ . 1 . 2]" 1
182 1 27 VAL MG1 1 30 LEU HA 4.305 . 6.810 4.556 3.374 5.415 . 0 0 "[ . 1 . 2]" 1
183 1 27 VAL MG1 1 30 LEU MD1 4.195 . 6.590 2.926 2.335 3.455 . 0 0 "[ . 1 . 2]" 1
184 1 27 VAL MG1 1 53 GLU HA 3.935 . 6.070 4.268 3.031 5.057 . 0 0 "[ . 1 . 2]" 1
185 1 27 VAL MG1 1 53 GLU HB2 3.760 . 5.720 4.025 3.206 4.751 . 0 0 "[ . 1 . 2]" 1
186 1 27 VAL MG1 1 53 GLU HB3 3.255 . 4.710 2.900 1.917 3.679 . 0 0 "[ . 1 . 2]" 1
187 1 27 VAL MG1 1 53 GLU HG2 4.155 . 6.510 3.813 3.056 4.414 . 0 0 "[ . 1 . 2]" 1
188 1 27 VAL MG1 1 55 ILE HA 4.485 . 7.170 4.768 3.931 5.577 . 0 0 "[ . 1 . 2]" 1
189 1 27 VAL MG2 1 28 ILE H 3.445 . 5.090 2.978 2.209 3.719 . 0 0 "[ . 1 . 2]" 1
190 1 27 VAL MG2 1 29 HIS H 3.360 . 4.920 3.006 2.010 4.205 . 0 0 "[ . 1 . 2]" 1
191 1 27 VAL MG2 1 53 GLU HA 3.935 . 6.070 3.421 2.747 4.364 . 0 0 "[ . 1 . 2]" 1
192 1 28 ILE H 1 29 HIS H 2.510 . 3.220 2.199 2.033 2.352 . 0 0 "[ . 1 . 2]" 1
193 1 28 ILE H 1 55 ILE HA 2.700 . 3.600 2.663 2.487 2.919 . 0 0 "[ . 1 . 2]" 1
194 1 28 ILE HB 1 29 HIS H 2.555 . 3.310 2.896 2.733 3.126 . 0 0 "[ . 1 . 2]" 1
195 1 28 ILE HB 1 29 HIS HD1 3.300 . 4.800 3.765 3.433 4.222 . 0 0 "[ . 1 . 2]" 1
196 1 28 ILE HB 1 54 ILE H 3.355 . 4.910 4.801 4.548 4.965 0.055 4 0 "[ . 1 . 2]" 1
197 1 28 ILE HB 1 54 ILE HB 3.575 . 5.350 5.042 4.745 5.339 . 0 0 "[ . 1 . 2]" 1
198 1 28 ILE HB 1 54 ILE MG 2.965 . 4.130 2.114 1.849 2.450 . 0 0 "[ . 1 . 2]" 1
199 1 28 ILE HB 1 55 ILE HA 3.430 . 5.060 3.839 3.514 4.055 . 0 0 "[ . 1 . 2]" 1
200 1 28 ILE HB 1 57 ILE MD 3.610 . 5.420 3.074 2.519 3.485 . 0 0 "[ . 1 . 2]" 1
201 1 28 ILE MD 1 28 ILE MG 3.425 . 5.050 2.224 1.926 3.251 . 0 0 "[ . 1 . 2]" 1
202 1 28 ILE MD 1 29 HIS H 3.825 . 5.850 4.605 4.135 4.887 . 0 0 "[ . 1 . 2]" 1
203 1 28 ILE MG 1 29 HIS H 3.265 . 4.730 3.646 3.323 3.824 . 0 0 "[ . 1 . 2]" 1
204 1 28 ILE MG 1 54 ILE MG 3.270 . 4.740 3.087 2.796 3.190 . 0 0 "[ . 1 . 2]" 1
205 1 28 ILE MG 1 55 ILE HA 3.980 . 6.160 5.046 4.855 5.215 . 0 0 "[ . 1 . 2]" 1
206 1 29 HIS H 1 30 LEU H 3.225 . 4.650 4.281 4.224 4.332 . 0 0 "[ . 1 . 2]" 1
207 1 29 HIS H 1 30 LEU MD1 4.210 . 6.620 4.102 3.685 4.462 . 0 0 "[ . 1 . 2]" 1
208 1 29 HIS H 1 53 GLU HA 3.430 . 5.060 4.520 4.391 4.686 . 0 0 "[ . 1 . 2]" 1
209 1 29 HIS H 1 53 GLU HB2 3.650 . 5.500 5.587 5.537 5.635 0.135 9 0 "[ . 1 . 2]" 1
210 1 29 HIS H 1 54 ILE H 2.980 . 4.160 2.993 2.904 3.094 . 0 0 "[ . 1 . 2]" 1
211 1 29 HIS HA 1 30 LEU H 2.405 . 3.010 2.390 2.261 2.515 . 0 0 "[ . 1 . 2]" 1
212 1 29 HIS HB2 1 30 LEU H 2.770 . 3.740 3.582 3.267 3.754 0.014 7 0 "[ . 1 . 2]" 1
213 1 29 HIS HB2 1 31 ALA MB 3.945 . 6.090 4.642 4.424 4.841 . 0 0 "[ . 1 . 2]" 1
214 1 29 HIS HB2 1 54 ILE H 2.950 . 4.100 3.971 3.852 4.052 . 0 0 "[ . 1 . 2]" 1
215 1 29 HIS HB2 1 54 ILE HB 3.150 . 4.500 4.057 3.840 4.186 . 0 0 "[ . 1 . 2]" 1
216 1 29 HIS HB2 1 54 ILE MD 4.160 . 6.520 5.365 5.224 5.458 . 0 0 "[ . 1 . 2]" 1
217 1 29 HIS HB2 1 54 ILE HG12 3.365 . 4.930 4.466 4.333 4.644 . 0 0 "[ . 1 . 2]" 1
218 1 29 HIS HB2 1 57 ILE MD 4.160 . 6.520 5.088 4.686 5.305 . 0 0 "[ . 1 . 2]" 1
219 1 29 HIS HB2 1 84 ILE MD 3.980 . 6.160 3.065 2.798 3.642 . 0 0 "[ . 1 . 2]" 1
220 1 29 HIS HB2 1 84 ILE MG 3.685 . 5.570 3.619 3.254 3.988 . 0 0 "[ . 1 . 2]" 1
221 1 29 HIS HB3 1 30 LEU H 2.715 . 3.630 2.254 1.892 2.493 . 0 0 "[ . 1 . 2]" 1
222 1 29 HIS HB3 1 31 ALA H 3.285 . 4.770 4.849 4.797 4.881 0.111 6 0 "[ . 1 . 2]" 1
223 1 29 HIS HB3 1 54 ILE H 3.270 . 4.740 4.699 4.598 4.764 0.024 13 0 "[ . 1 . 2]" 1
224 1 29 HIS HB3 1 84 ILE MD 3.485 . 5.170 3.311 3.033 3.642 . 0 0 "[ . 1 . 2]" 1
225 1 29 HIS HB3 1 84 ILE MG 3.855 . 5.910 4.156 3.932 4.458 . 0 0 "[ . 1 . 2]" 1
226 1 29 HIS HB3 1 85 ASP H 3.355 . 4.910 2.916 2.433 3.504 . 0 0 "[ . 1 . 2]" 1
227 1 29 HIS HD1 1 54 ILE HB 3.650 . 5.500 5.500 5.260 5.576 0.076 6 0 "[ . 1 . 2]" 1
228 1 29 HIS HD1 1 84 ILE MD 3.455 . 5.110 2.502 2.068 2.794 . 0 0 "[ . 1 . 2]" 1
229 1 29 HIS HD1 1 84 ILE MG 4.030 . 6.260 4.214 3.804 4.725 . 0 0 "[ . 1 . 2]" 1
230 1 30 LEU H 1 54 ILE H 3.515 . 5.230 4.719 4.464 4.969 . 0 0 "[ . 1 . 2]" 1
231 1 30 LEU H 1 84 ILE HA 3.525 . 5.250 5.266 5.163 5.307 0.057 18 0 "[ . 1 . 2]" 1
232 1 30 LEU H 1 84 ILE MD 4.160 . 6.520 5.212 4.916 5.294 . 0 0 "[ . 1 . 2]" 1
233 1 30 LEU H 1 85 ASP H 2.855 . 3.910 3.540 3.313 3.910 0.000 3 0 "[ . 1 . 2]" 1
234 1 30 LEU H 1 85 ASP HB2 3.985 . 6.170 3.798 2.653 4.813 . 0 0 "[ . 1 . 2]" 1
235 1 30 LEU HA 1 31 ALA H 2.460 . 3.120 2.021 1.960 2.094 . 0 0 "[ . 1 . 2]" 1
236 1 30 LEU HA 1 53 GLU HA 2.560 . 3.320 2.132 1.920 2.463 . 0 0 "[ . 1 . 2]" 1
237 1 30 LEU HA 1 54 ILE H 3.110 . 4.420 3.088 2.721 3.436 . 0 0 "[ . 1 . 2]" 1
238 1 30 LEU HB2 1 85 ASP HB2 4.010 . 6.220 3.639 2.977 4.404 . 0 0 "[ . 1 . 2]" 1
239 1 30 LEU HB3 1 31 ALA H 3.000 . 4.200 3.299 2.916 3.448 . 0 0 "[ . 1 . 2]" 1
240 1 30 LEU HB3 1 53 GLU HG2 3.605 . 5.410 4.376 4.130 4.719 . 0 0 "[ . 1 . 2]" 1
241 1 30 LEU HB3 1 53 GLU HG3 3.605 . 5.410 5.414 5.158 5.448 0.038 20 0 "[ . 1 . 2]" 1
242 1 30 LEU HB3 1 85 ASP HB2 4.010 . 6.220 4.737 4.334 5.343 . 0 0 "[ . 1 . 2]" 1
243 1 30 LEU MD1 1 31 ALA H 4.015 . 6.230 4.311 3.572 4.732 . 0 0 "[ . 1 . 2]" 1
244 1 30 LEU MD1 1 53 GLU HA 3.630 . 5.460 3.614 2.422 4.303 . 0 0 "[ . 1 . 2]" 1
245 1 30 LEU MD1 1 53 GLU HB3 3.555 . 5.310 3.636 2.622 4.306 . 0 0 "[ . 1 . 2]" 1
246 1 30 LEU MD1 1 53 GLU HG2 3.965 . 6.130 3.218 1.881 4.213 . 0 0 "[ . 1 . 2]" 1
247 1 30 LEU MD1 1 54 ILE H 4.040 . 6.280 4.333 3.621 4.808 . 0 0 "[ . 1 . 2]" 1
248 1 31 ALA H 1 52 ILE HA 3.650 . 5.500 4.789 4.499 4.900 . 0 0 "[ . 1 . 2]" 1
249 1 31 ALA H 1 52 ILE HB 3.135 . 4.470 3.483 2.840 3.685 . 0 0 "[ . 1 . 2]" 1
250 1 31 ALA H 1 53 GLU HA 2.895 . 3.990 2.559 2.420 2.704 . 0 0 "[ . 1 . 2]" 1
251 1 31 ALA H 1 53 GLU HB3 3.250 . 4.700 4.759 4.709 4.811 0.111 18 0 "[ . 1 . 2]" 1
252 1 31 ALA H 1 53 GLU HG2 3.730 . 5.660 4.720 4.246 5.132 . 0 0 "[ . 1 . 2]" 1
253 1 31 ALA H 1 54 ILE HA 3.650 . 5.500 5.307 5.074 5.462 . 0 0 "[ . 1 . 2]" 1
254 1 31 ALA H 1 54 ILE HB 3.390 . 4.980 4.411 4.108 4.642 . 0 0 "[ . 1 . 2]" 1
255 1 31 ALA H 1 54 ILE MG 3.490 . 5.180 3.892 3.680 4.059 . 0 0 "[ . 1 . 2]" 1
256 1 31 ALA H 1 84 ILE HA 3.265 . 4.730 4.150 4.005 4.372 . 0 0 "[ . 1 . 2]" 1
257 1 31 ALA H 1 85 ASP H 3.080 . 4.360 4.422 4.356 4.509 0.149 15 0 "[ . 1 . 2]" 1
258 1 31 ALA H 1 85 ASP HB2 4.010 . 6.220 5.593 5.234 6.063 . 0 0 "[ . 1 . 2]" 1
259 1 31 ALA HA 1 32 LYS H 2.415 . 3.030 2.200 2.115 2.306 . 0 0 "[ . 1 . 2]" 1
260 1 31 ALA HA 1 82 VAL MG2 4.160 . 6.520 4.941 4.839 5.115 . 0 0 "[ . 1 . 2]" 1
261 1 31 ALA HA 1 84 ILE H 3.155 . 4.510 4.390 4.294 4.507 . 0 0 "[ . 1 . 2]" 1
262 1 31 ALA HA 1 84 ILE HA 2.475 . 3.150 1.704 1.665 1.758 0.135 2 0 "[ . 1 . 2]" 1
263 1 31 ALA HA 1 84 ILE MD 4.160 . 6.520 5.176 4.755 5.313 . 0 0 "[ . 1 . 2]" 1
264 1 31 ALA HA 1 84 ILE HG13 3.650 . 5.500 5.205 5.119 5.354 . 0 0 "[ . 1 . 2]" 1
265 1 31 ALA HA 1 85 ASP H 2.670 . 3.540 2.701 2.200 2.937 . 0 0 "[ . 1 . 2]" 1
266 1 31 ALA HA 1 85 ASP HB2 3.450 . 5.100 4.201 3.668 4.674 . 0 0 "[ . 1 . 2]" 1
267 1 31 ALA MB 1 32 LYS H 3.030 . 4.260 2.384 2.309 2.526 . 0 0 "[ . 1 . 2]" 1
268 1 31 ALA MB 1 34 CYS H 4.160 . 6.520 5.309 5.268 5.351 . 0 0 "[ . 1 . 2]" 1
269 1 31 ALA MB 1 52 ILE H 3.550 . 5.300 3.464 3.245 3.655 . 0 0 "[ . 1 . 2]" 1
270 1 31 ALA MB 1 52 ILE HA 4.160 . 6.520 4.661 4.489 4.900 . 0 0 "[ . 1 . 2]" 1
271 1 31 ALA MB 1 52 ILE HB 2.830 . 3.860 2.125 1.886 2.326 . 0 0 "[ . 1 . 2]" 1
272 1 31 ALA MB 1 52 ILE MD 4.015 . 6.230 3.419 3.120 4.192 . 0 0 "[ . 1 . 2]" 1
273 1 31 ALA MB 1 52 ILE MG 4.010 . 6.220 3.204 2.697 3.427 . 0 0 "[ . 1 . 2]" 1
274 1 31 ALA MB 1 54 ILE HA 4.160 . 6.520 4.389 4.238 4.501 . 0 0 "[ . 1 . 2]" 1
275 1 31 ALA MB 1 54 ILE HB 3.080 . 4.360 2.944 2.614 3.081 . 0 0 "[ . 1 . 2]" 1
276 1 31 ALA MB 1 65 TRP HE3 3.715 . 5.630 4.355 4.132 4.599 . 0 0 "[ . 1 . 2]" 1
277 1 31 ALA MB 1 82 VAL HA 3.860 . 5.920 4.101 3.925 4.214 . 0 0 "[ . 1 . 2]" 1
278 1 31 ALA MB 1 82 VAL HB 2.910 . 4.020 2.047 1.915 2.171 . 0 0 "[ . 1 . 2]" 1
279 1 31 ALA MB 1 82 VAL MG1 3.790 . 5.780 2.817 2.705 2.961 . 0 0 "[ . 1 . 2]" 1
280 1 31 ALA MB 1 82 VAL MG2 3.510 . 5.220 2.752 2.632 2.883 . 0 0 "[ . 1 . 2]" 1
281 1 31 ALA MB 1 83 GLU H 3.135 . 4.470 3.053 2.916 3.268 . 0 0 "[ . 1 . 2]" 1
282 1 31 ALA MB 1 83 GLU HB2 3.865 . 5.930 4.727 4.705 4.750 . 0 0 "[ . 1 . 2]" 1
283 1 31 ALA MB 1 84 ILE H 3.570 . 5.340 3.697 3.501 3.900 . 0 0 "[ . 1 . 2]" 1
284 1 31 ALA MB 1 84 ILE HA 3.085 . 4.370 2.288 2.150 2.479 . 0 0 "[ . 1 . 2]" 1
285 1 31 ALA MB 1 84 ILE HB 3.860 . 5.920 3.243 3.059 3.411 . 0 0 "[ . 1 . 2]" 1
286 1 31 ALA MB 1 84 ILE MD 4.290 . 6.780 4.459 4.288 4.612 . 0 0 "[ . 1 . 2]" 1
287 1 31 ALA MB 1 84 ILE MG 3.690 . 5.580 1.700 1.535 1.849 0.265 1 0 "[ . 1 . 2]" 1
288 1 31 ALA MB 1 85 ASP H 3.475 . 5.150 3.764 3.535 3.923 . 0 0 "[ . 1 . 2]" 1
289 1 32 LYS H 1 33 ALA H 3.080 . 4.360 4.311 4.212 4.374 0.014 6 0 "[ . 1 . 2]" 1
290 1 32 LYS H 1 52 ILE HG13 3.425 . 5.050 5.070 4.819 5.117 0.067 13 0 "[ . 1 . 2]" 1
291 1 32 LYS H 1 82 VAL HB 2.580 . 3.360 3.414 3.378 3.455 0.095 2 0 "[ . 1 . 2]" 1
292 1 32 LYS H 1 82 VAL MG1 3.695 . 5.590 4.304 4.199 4.390 . 0 0 "[ . 1 . 2]" 1
293 1 32 LYS H 1 82 VAL MG2 4.105 . 6.410 4.683 4.607 4.750 . 0 0 "[ . 1 . 2]" 1
294 1 32 LYS H 1 84 ILE HA 3.015 . 4.230 3.031 2.908 3.156 . 0 0 "[ . 1 . 2]" 1
295 1 32 LYS HA 1 33 ALA H 2.300 . 2.800 2.179 2.075 2.226 . 0 0 "[ . 1 . 2]" 1
296 1 32 LYS HA 1 50 GLU H 3.400 . 5.000 4.989 4.765 5.064 0.064 19 0 "[ . 1 . 2]" 1
297 1 32 LYS HA 1 51 GLN H 3.010 . 4.220 3.350 3.173 3.494 . 0 0 "[ . 1 . 2]" 1
298 1 32 LYS HA 1 52 ILE H 2.615 . 3.430 3.154 2.923 3.277 . 0 0 "[ . 1 . 2]" 1
299 1 32 LYS HA 1 82 VAL MG1 3.860 . 5.920 4.714 4.601 4.757 . 0 0 "[ . 1 . 2]" 1
300 1 32 LYS HB2 1 52 ILE H 3.565 . 5.330 5.224 5.022 5.332 0.002 17 0 "[ . 1 . 2]" 1
301 1 32 LYS HB3 1 51 GLN HA 3.650 . 5.500 5.420 5.099 5.614 0.114 6 0 "[ . 1 . 2]" 1
302 1 32 LYS HB3 1 83 GLU H 3.015 . 4.230 3.317 3.017 3.631 . 0 0 "[ . 1 . 2]" 1
303 1 32 LYS HG2 1 33 ALA H 2.900 . 4.000 3.285 2.993 3.786 . 0 0 "[ . 1 . 2]" 1
304 1 32 LYS HG2 1 33 ALA MB 3.660 . 5.520 4.049 3.792 4.579 . 0 0 "[ . 1 . 2]" 1
305 1 32 LYS HG2 1 83 GLU H 3.365 . 4.930 4.604 3.924 4.956 0.026 16 0 "[ . 1 . 2]" 1
306 1 32 LYS HG3 1 33 ALA H 2.995 . 4.190 3.383 3.111 3.559 . 0 0 "[ . 1 . 2]" 1
307 1 32 LYS HG3 1 33 ALA MB 3.815 . 5.830 4.443 4.177 4.653 . 0 0 "[ . 1 . 2]" 1
308 1 32 LYS HG3 1 50 GLU H 3.360 . 4.920 4.833 4.431 4.974 0.054 17 0 "[ . 1 . 2]" 1
309 1 32 LYS HG3 1 51 GLN H 3.365 . 4.930 4.140 3.690 4.646 . 0 0 "[ . 1 . 2]" 1
310 1 33 ALA H 1 34 CYS H 3.120 . 4.440 4.287 4.167 4.366 . 0 0 "[ . 1 . 2]" 1
311 1 33 ALA H 1 35 CYS H 3.650 . 5.500 5.440 5.282 5.548 0.048 6 0 "[ . 1 . 2]" 1
312 1 33 ALA H 1 46 PHE HB2 3.485 . 5.170 5.213 5.060 5.271 0.101 18 0 "[ . 1 . 2]" 1
313 1 33 ALA H 1 46 PHE QD 4.380 . 6.960 4.960 4.796 5.049 . 0 0 "[ . 1 . 2]" 1
314 1 33 ALA H 1 46 PHE QE 4.715 . 7.630 5.640 5.371 5.792 . 0 0 "[ . 1 . 2]" 1
315 1 33 ALA H 1 48 GLN HA 3.590 . 5.380 4.662 4.024 5.036 . 0 0 "[ . 1 . 2]" 1
316 1 33 ALA H 1 50 GLU H 2.980 . 4.160 3.349 3.152 3.526 . 0 0 "[ . 1 . 2]" 1
317 1 33 ALA H 1 50 GLU HA 3.650 . 5.500 5.522 5.410 5.590 0.090 17 0 "[ . 1 . 2]" 1
318 1 33 ALA H 1 50 GLU HB2 3.340 . 4.880 4.543 4.050 4.941 0.061 15 0 "[ . 1 . 2]" 1
319 1 33 ALA H 1 51 GLN HA 2.965 . 4.130 3.074 2.434 3.495 . 0 0 "[ . 1 . 2]" 1
320 1 33 ALA H 1 52 ILE MD 3.560 . 5.320 3.518 3.210 3.939 . 0 0 "[ . 1 . 2]" 1
321 1 33 ALA H 1 52 ILE HG12 2.980 . 4.160 4.129 2.769 4.229 0.069 10 0 "[ . 1 . 2]" 1
322 1 33 ALA H 1 52 ILE HG13 2.865 . 3.930 2.779 2.626 3.146 . 0 0 "[ . 1 . 2]" 1
323 1 33 ALA H 1 82 VAL MG1 3.440 . 5.080 3.861 3.694 3.954 . 0 0 "[ . 1 . 2]" 1
324 1 33 ALA H 1 83 GLU H 3.400 . 5.000 5.019 4.943 5.121 0.121 16 0 "[ . 1 . 2]" 1
325 1 33 ALA HA 1 34 CYS H 2.315 . 2.830 2.110 2.056 2.158 . 0 0 "[ . 1 . 2]" 1
326 1 33 ALA HA 1 35 CYS H 2.590 . 3.380 3.350 3.166 3.434 0.054 2 0 "[ . 1 . 2]" 1
327 1 33 ALA HA 1 37 VAL MG1 4.640 . 7.480 5.713 5.490 6.215 . 0 0 "[ . 1 . 2]" 1
328 1 33 ALA HA 1 46 PHE QE 4.305 . 6.810 3.318 2.933 3.484 . 0 0 "[ . 1 . 2]" 1
329 1 33 ALA HA 1 52 ILE H 3.650 . 5.500 5.488 5.348 5.551 0.051 20 0 "[ . 1 . 2]" 1
330 1 33 ALA HA 1 52 ILE MD 3.490 . 5.180 2.742 2.444 3.612 . 0 0 "[ . 1 . 2]" 1
331 1 33 ALA HA 1 52 ILE HG13 2.960 . 4.120 3.568 2.897 3.834 . 0 0 "[ . 1 . 2]" 1
332 1 33 ALA HA 1 82 VAL HA 2.575 . 3.350 2.817 2.656 2.963 . 0 0 "[ . 1 . 2]" 1
333 1 33 ALA HA 1 82 VAL HB 2.880 . 3.960 3.804 3.568 3.986 0.026 19 0 "[ . 1 . 2]" 1
334 1 33 ALA HA 1 82 VAL MG1 2.930 . 4.060 1.978 1.675 2.142 0.125 16 0 "[ . 1 . 2]" 1
335 1 33 ALA HA 1 82 VAL MG2 3.980 . 6.160 4.681 4.477 4.809 . 0 0 "[ . 1 . 2]" 1
336 1 33 ALA HA 1 83 GLU H 3.125 . 4.450 4.083 3.973 4.222 . 0 0 "[ . 1 . 2]" 1
337 1 33 ALA MB 1 34 CYS H 3.160 . 4.520 3.313 3.199 3.418 . 0 0 "[ . 1 . 2]" 1
338 1 33 ALA MB 1 35 CYS H 2.990 . 4.180 2.988 2.722 3.253 . 0 0 "[ . 1 . 2]" 1
339 1 33 ALA MB 1 36 ASP H 4.050 . 6.300 5.108 5.020 5.151 . 0 0 "[ . 1 . 2]" 1
340 1 33 ALA MB 1 46 PHE HB2 3.375 . 4.950 2.671 2.520 2.825 . 0 0 "[ . 1 . 2]" 1
341 1 33 ALA MB 1 46 PHE HB3 3.540 . 5.280 3.880 3.726 4.042 . 0 0 "[ . 1 . 2]" 1
342 1 33 ALA MB 1 46 PHE QD 3.965 . 6.130 1.803 1.627 1.958 0.173 12 0 "[ . 1 . 2]" 1
343 1 33 ALA MB 1 46 PHE QE 4.075 . 6.350 2.806 2.573 2.922 . 0 0 "[ . 1 . 2]" 1
344 1 33 ALA MB 1 46 PHE HZ 3.780 . 5.760 4.559 4.281 4.671 . 0 0 "[ . 1 . 2]" 1
345 1 33 ALA MB 1 48 GLN HA 3.025 . 4.250 2.392 1.928 2.732 . 0 0 "[ . 1 . 2]" 1
346 1 33 ALA MB 1 49 GLY H 2.885 . 3.970 2.171 1.884 2.509 . 0 0 "[ . 1 . 2]" 1
347 1 33 ALA MB 1 50 GLU H 2.880 . 3.960 2.052 1.898 2.338 . 0 0 "[ . 1 . 2]" 1
348 1 33 ALA MB 1 50 GLU HA 3.845 . 5.890 4.389 4.099 4.610 . 0 0 "[ . 1 . 2]" 1
349 1 33 ALA MB 1 50 GLU HB2 3.305 . 4.810 2.806 2.507 3.290 . 0 0 "[ . 1 . 2]" 1
350 1 33 ALA MB 1 50 GLU HB3 3.305 . 4.810 3.304 2.180 4.035 . 0 0 "[ . 1 . 2]" 1
351 1 33 ALA MB 1 51 GLN H 3.385 . 4.970 2.959 2.610 3.238 . 0 0 "[ . 1 . 2]" 1
352 1 33 ALA MB 1 51 GLN HA 4.160 . 6.520 4.267 3.701 4.589 . 0 0 "[ . 1 . 2]" 1
353 1 33 ALA MB 1 52 ILE H 4.160 . 6.520 4.546 4.343 4.731 . 0 0 "[ . 1 . 2]" 1
354 1 33 ALA MB 1 52 ILE MD 3.575 . 5.350 2.003 1.744 2.476 0.056 20 0 "[ . 1 . 2]" 1
355 1 33 ALA MB 1 52 ILE HG13 3.120 . 4.440 2.659 2.442 2.860 . 0 0 "[ . 1 . 2]" 1
356 1 33 ALA MB 1 82 VAL HA 3.600 . 5.400 4.379 4.243 4.528 . 0 0 "[ . 1 . 2]" 1
357 1 33 ALA MB 1 82 VAL MG1 3.615 . 5.430 3.166 2.895 3.352 . 0 0 "[ . 1 . 2]" 1
358 1 34 CYS H 1 35 CYS H 2.475 . 3.150 2.366 2.191 2.521 . 0 0 "[ . 1 . 2]" 1
359 1 34 CYS H 1 46 PHE QD 4.670 . 7.540 4.894 4.590 5.119 . 0 0 "[ . 1 . 2]" 1
360 1 34 CYS H 1 46 PHE QE 4.185 . 6.570 3.779 3.470 4.176 . 0 0 "[ . 1 . 2]" 1
361 1 34 CYS H 1 48 GLN HA 3.410 . 5.020 4.579 4.327 4.853 . 0 0 "[ . 1 . 2]" 1
362 1 34 CYS H 1 52 ILE MD 4.155 . 6.510 4.373 4.112 5.325 . 0 0 "[ . 1 . 2]" 1
363 1 34 CYS H 1 82 VAL H 3.225 . 4.650 4.366 4.137 4.582 . 0 0 "[ . 1 . 2]" 1
364 1 34 CYS H 1 82 VAL HA 2.540 . 3.280 1.978 1.782 2.143 0.018 18 0 "[ . 1 . 2]" 1
365 1 34 CYS H 1 82 VAL HB 3.110 . 4.420 4.152 3.970 4.335 . 0 0 "[ . 1 . 2]" 1
366 1 34 CYS H 1 82 VAL MG1 3.195 . 4.590 3.029 2.835 3.245 . 0 0 "[ . 1 . 2]" 1
367 1 34 CYS H 1 82 VAL MG2 3.890 . 5.980 4.741 4.558 4.893 . 0 0 "[ . 1 . 2]" 1
368 1 34 CYS H 1 83 GLU H 3.020 . 4.240 3.582 3.437 3.740 . 0 0 "[ . 1 . 2]" 1
369 1 34 CYS H 1 83 GLU HG3 3.650 . 5.500 4.334 4.062 4.912 . 0 0 "[ . 1 . 2]" 1
370 1 34 CYS HB2 1 35 CYS H 3.220 . 4.640 3.983 3.369 4.227 . 0 0 "[ . 1 . 2]" 1
371 1 34 CYS HB2 1 81 ALA HA 3.560 . 5.320 4.743 3.986 5.206 . 0 0 "[ . 1 . 2]" 1
372 1 34 CYS HB2 1 81 ALA MB 4.505 . 7.210 5.369 4.773 5.733 . 0 0 "[ . 1 . 2]" 1
373 1 34 CYS HB2 1 82 VAL H 3.690 . 5.580 4.512 4.108 4.950 . 0 0 "[ . 1 . 2]" 1
374 1 34 CYS HB2 1 82 VAL MG1 4.470 . 7.140 4.656 4.442 4.992 . 0 0 "[ . 1 . 2]" 1
375 1 34 CYS HB2 1 83 GLU H 3.700 . 5.600 3.450 2.993 4.561 . 0 0 "[ . 1 . 2]" 1
376 1 34 CYS HB2 1 83 GLU HG3 3.580 . 5.360 2.237 1.773 3.838 0.027 5 0 "[ . 1 . 2]" 1
377 1 35 CYS H 1 36 ASP H 3.125 . 4.450 4.247 4.104 4.361 . 0 0 "[ . 1 . 2]" 1
378 1 35 CYS H 1 37 VAL MG1 4.470 . 7.140 5.174 4.888 5.733 . 0 0 "[ . 1 . 2]" 1
379 1 35 CYS H 1 46 PHE QD 4.215 . 6.630 4.006 3.632 4.334 . 0 0 "[ . 1 . 2]" 1
380 1 35 CYS H 1 46 PHE QE 3.900 . 6.000 2.994 2.715 3.191 . 0 0 "[ . 1 . 2]" 1
381 1 35 CYS H 1 48 GLN H 3.605 . 5.410 5.090 4.646 5.439 0.029 14 0 "[ . 1 . 2]" 1
382 1 35 CYS H 1 48 GLN HA 2.720 . 3.640 3.455 3.090 3.687 0.047 3 0 "[ . 1 . 2]" 1
383 1 35 CYS H 1 48 GLN HG2 3.305 . 4.810 4.144 3.403 4.895 0.085 11 0 "[ . 1 . 2]" 1
384 1 35 CYS H 1 49 GLY H 3.440 . 5.080 4.768 4.329 5.108 0.028 11 0 "[ . 1 . 2]" 1
385 1 35 CYS H 1 82 VAL HA 3.175 . 4.550 4.113 3.882 4.404 . 0 0 "[ . 1 . 2]" 1
386 1 35 CYS H 1 82 VAL MG1 3.715 . 5.630 4.300 4.059 4.528 . 0 0 "[ . 1 . 2]" 1
387 1 35 CYS HB2 1 36 ASP H 3.050 . 4.300 3.665 2.272 4.250 . 0 0 "[ . 1 . 2]" 1
388 1 36 ASP H 1 37 VAL HA 3.630 . 5.460 5.052 4.904 5.269 . 0 0 "[ . 1 . 2]" 1
389 1 36 ASP H 1 37 VAL MG1 4.670 . 7.540 5.452 5.074 6.159 . 0 0 "[ . 1 . 2]" 1
390 1 36 ASP H 1 46 PHE QD 4.715 . 7.630 5.414 5.239 5.724 . 0 0 "[ . 1 . 2]" 1
391 1 36 ASP H 1 48 GLN H 3.010 . 4.220 3.493 3.034 3.918 . 0 0 "[ . 1 . 2]" 1
392 1 36 ASP H 1 48 GLN HA 3.380 . 4.960 4.471 4.070 4.974 0.014 11 0 "[ . 1 . 2]" 1
393 1 36 ASP H 1 48 GLN HB3 3.240 . 4.680 4.401 3.404 4.733 0.053 3 0 "[ . 1 . 2]" 1
394 1 36 ASP HA 1 37 VAL H 2.240 . 2.680 2.008 1.925 2.106 . 0 0 "[ . 1 . 2]" 1
395 1 36 ASP HA 1 37 VAL HB 3.390 . 4.980 4.390 4.010 4.582 . 0 0 "[ . 1 . 2]" 1
396 1 36 ASP HA 1 37 VAL MG1 3.975 . 6.150 3.883 3.705 5.107 . 0 0 "[ . 1 . 2]" 1
397 1 36 ASP HA 1 48 GLN H 2.485 . 3.170 2.767 1.786 2.926 0.014 6 0 "[ . 1 . 2]" 1
398 1 36 ASP HA 1 48 GLN HA 3.155 . 4.510 4.186 3.894 4.536 0.026 4 0 "[ . 1 . 2]" 1
399 1 36 ASP HB2 1 37 VAL H 2.805 . 3.810 3.685 3.378 3.899 0.089 8 0 "[ . 1 . 2]" 1
400 1 36 ASP HB2 1 37 VAL HA 3.650 . 5.500 5.061 4.658 5.578 0.078 16 0 "[ . 1 . 2]" 1
401 1 36 ASP HB2 1 48 GLN H 2.950 . 4.100 2.760 1.686 3.576 0.114 13 0 "[ . 1 . 2]" 1
402 1 36 ASP HB3 1 37 VAL H 3.100 . 4.400 4.369 4.248 4.456 0.056 3 0 "[ . 1 . 2]" 1
403 1 36 ASP HB3 1 47 LYS HA 2.850 . 3.900 2.793 2.019 3.608 . 0 0 "[ . 1 . 2]" 1
404 1 36 ASP HB3 1 48 GLN H 2.290 . 2.780 2.192 1.768 2.875 0.095 13 0 "[ . 1 . 2]" 1
405 1 37 VAL H 1 38 LYS HA 3.370 . 4.940 4.842 4.736 4.983 0.043 3 0 "[ . 1 . 2]" 1
406 1 37 VAL H 1 46 PHE H 2.645 . 3.490 3.106 2.888 3.305 . 0 0 "[ . 1 . 2]" 1
407 1 37 VAL H 1 46 PHE HB2 3.365 . 4.930 4.925 4.748 4.962 0.032 15 0 "[ . 1 . 2]" 1
408 1 37 VAL H 1 46 PHE QD 4.040 . 6.280 3.350 3.140 3.578 . 0 0 "[ . 1 . 2]" 1
409 1 37 VAL H 1 46 PHE QE 4.115 . 6.430 3.807 3.434 4.102 . 0 0 "[ . 1 . 2]" 1
410 1 37 VAL H 1 46 PHE HZ 3.650 . 5.500 5.110 4.769 5.501 0.001 6 0 "[ . 1 . 2]" 1
411 1 37 VAL H 1 47 LYS H 3.650 . 5.500 4.978 4.314 5.225 . 0 0 "[ . 1 . 2]" 1
412 1 37 VAL H 1 47 LYS HG2 3.645 . 5.490 5.272 4.312 5.531 0.041 8 0 "[ . 1 . 2]" 1
413 1 37 VAL H 1 48 GLN H 3.295 . 4.790 4.735 3.706 4.857 0.067 4 0 "[ . 1 . 2]" 1
414 1 37 VAL HA 1 38 LYS H 2.405 . 3.010 2.377 2.186 2.541 . 0 0 "[ . 1 . 2]" 1
415 1 37 VAL HA 1 46 PHE QE 4.715 . 7.630 5.622 5.044 5.852 . 0 0 "[ . 1 . 2]" 1
416 1 37 VAL HB 1 38 LYS H 3.175 . 4.550 4.041 3.937 4.178 . 0 0 "[ . 1 . 2]" 1
417 1 37 VAL HB 1 46 PHE QD 4.280 . 6.760 4.795 3.142 5.278 . 0 0 "[ . 1 . 2]" 1
418 1 37 VAL HB 1 46 PHE QE 3.880 . 5.960 3.788 2.808 4.210 . 0 0 "[ . 1 . 2]" 1
419 1 37 VAL HB 1 46 PHE HZ 3.240 . 4.680 4.143 3.319 4.320 . 0 0 "[ . 1 . 2]" 1
420 1 37 VAL HB 1 81 ALA MB 3.545 . 5.290 3.286 2.857 3.565 . 0 0 "[ . 1 . 2]" 1
421 1 37 VAL MG1 1 38 LYS HA 4.025 . 6.250 3.704 3.319 4.058 . 0 0 "[ . 1 . 2]" 1
422 1 37 VAL MG1 1 38 LYS HB2 4.785 . 7.770 5.493 4.429 5.811 . 0 0 "[ . 1 . 2]" 1
423 1 37 VAL MG1 1 38 LYS HD2 4.675 . 7.550 5.515 4.279 6.311 . 0 0 "[ . 1 . 2]" 1
424 1 37 VAL MG1 1 38 LYS HG2 4.385 . 6.970 5.209 4.514 5.698 . 0 0 "[ . 1 . 2]" 1
425 1 37 VAL MG1 1 39 GLY HA2 3.790 . 5.780 3.509 2.944 3.949 . 0 0 "[ . 1 . 2]" 1
426 1 37 VAL MG1 1 39 GLY HA3 3.950 . 6.100 4.443 3.765 4.918 . 0 0 "[ . 1 . 2]" 1
427 1 37 VAL MG1 1 40 GLY H 4.215 . 6.630 3.733 3.027 4.267 . 0 0 "[ . 1 . 2]" 1
428 1 37 VAL MG1 1 43 GLU HB3 4.085 . 6.370 3.580 2.960 4.392 . 0 0 "[ . 1 . 2]" 1
429 1 37 VAL MG1 1 45 SER HA 4.075 . 6.350 2.710 2.432 3.001 . 0 0 "[ . 1 . 2]" 1
430 1 37 VAL MG1 1 46 PHE QD 5.735 . 9.670 3.119 2.913 3.808 . 0 0 "[ . 1 . 2]" 1
431 1 37 VAL MG1 1 46 PHE QE 4.525 . 7.250 2.658 2.573 3.030 . 0 0 "[ . 1 . 2]" 1
432 1 37 VAL MG1 1 46 PHE HZ 3.590 . 5.380 2.650 2.484 2.867 . 0 0 "[ . 1 . 2]" 1
433 1 37 VAL MG1 1 47 LYS H 4.670 . 7.540 5.506 4.985 6.248 . 0 0 "[ . 1 . 2]" 1
434 1 37 VAL MG1 1 48 GLN H 4.670 . 7.540 6.144 6.103 6.476 . 0 0 "[ . 1 . 2]" 1
435 1 37 VAL MG1 1 77 ILE MG 5.180 . 8.560 3.595 3.367 3.912 . 0 0 "[ . 1 . 2]" 1
436 1 37 VAL MG1 1 81 ALA HA 4.465 . 7.130 5.292 5.033 5.725 . 0 0 "[ . 1 . 2]" 1
437 1 37 VAL MG1 1 81 ALA MB 3.770 . 5.740 3.006 2.779 3.302 . 0 0 "[ . 1 . 2]" 1
438 1 37 VAL MG2 1 45 SER HA 4.075 . 6.350 4.375 4.020 5.362 . 0 0 "[ . 1 . 2]" 1
439 1 37 VAL MG2 1 46 PHE QE 4.675 . 7.550 4.343 2.456 4.561 . 0 0 "[ . 1 . 2]" 1
440 1 37 VAL MG2 1 46 PHE HZ 3.640 . 5.480 4.334 2.634 4.558 . 0 0 "[ . 1 . 2]" 1
441 1 37 VAL MG2 1 81 ALA MB 3.770 . 5.740 3.476 1.561 3.882 0.239 6 0 "[ . 1 . 2]" 1
442 1 38 LYS H 1 39 GLY H 2.660 . 3.520 2.552 2.086 3.244 . 0 0 "[ . 1 . 2]" 1
443 1 38 LYS HA 1 39 GLY H 2.610 . 3.420 2.978 2.306 3.409 . 0 0 "[ . 1 . 2]" 1
444 1 38 LYS HA 1 45 SER HB2 3.105 . 4.410 3.903 2.743 4.466 0.056 3 0 "[ . 1 . 2]" 1
445 1 38 LYS HA 1 45 SER HB3 3.105 . 4.410 2.794 2.377 4.003 . 0 0 "[ . 1 . 2]" 1
446 1 38 LYS HA 1 46 PHE H 3.160 . 4.520 3.752 3.269 4.478 . 0 0 "[ . 1 . 2]" 1
447 1 38 LYS HG2 1 39 GLY HA2 3.800 . 5.800 5.480 4.617 5.992 0.192 20 0 "[ . 1 . 2]" 1
448 1 39 GLY H 1 43 GLU HB3 3.075 . 4.350 3.452 3.026 4.141 . 0 0 "[ . 1 . 2]" 1
449 1 39 GLY H 1 44 LEU H 3.650 . 5.500 4.937 4.193 5.242 . 0 0 "[ . 1 . 2]" 1
450 1 39 GLY H 1 45 SER HA 2.485 . 3.170 3.062 2.718 3.214 0.044 17 0 "[ . 1 . 2]" 1
451 1 39 GLY H 1 45 SER HB2 3.665 . 5.530 5.318 4.721 5.584 0.054 1 0 "[ . 1 . 2]" 1
452 1 39 GLY H 1 46 PHE H 3.650 . 5.500 4.368 4.127 4.634 . 0 0 "[ . 1 . 2]" 1
453 1 39 GLY HA2 1 40 GLY H 2.565 . 3.330 2.488 2.232 2.658 . 0 0 "[ . 1 . 2]" 1
454 1 39 GLY HA2 1 43 GLU H 3.035 . 4.270 3.084 2.553 3.792 . 0 0 "[ . 1 . 2]" 1
455 1 39 GLY HA2 1 43 GLU HB2 2.595 . 3.390 3.169 2.264 3.462 0.072 11 0 "[ . 1 . 2]" 1
456 1 39 GLY HA2 1 43 GLU HB3 2.590 . 3.380 1.891 1.749 2.537 0.051 7 0 "[ . 1 . 2]" 1
457 1 39 GLY HA2 1 44 LEU H 3.335 . 4.870 3.607 3.271 4.238 . 0 0 "[ . 1 . 2]" 1
458 1 39 GLY HA3 1 43 GLU HB2 3.270 . 4.740 4.608 3.806 4.828 0.088 17 0 "[ . 1 . 2]" 1
459 1 39 GLY HA3 1 43 GLU HB3 2.970 . 4.140 3.499 3.079 4.169 0.029 6 0 "[ . 1 . 2]" 1
460 1 40 GLY H 1 41 LYS H 3.650 . 5.500 4.326 3.848 4.556 . 0 0 "[ . 1 . 2]" 1
461 1 40 GLY H 1 43 GLU H 2.975 . 4.150 4.187 3.705 4.325 0.175 11 0 "[ . 1 . 2]" 1
462 1 40 GLY H 1 43 GLU HA 3.650 . 5.500 5.210 4.876 5.585 0.085 18 0 "[ . 1 . 2]" 1
463 1 40 GLY H 1 43 GLU HB2 2.540 . 3.280 2.986 2.367 3.304 0.024 4 0 "[ . 1 . 2]" 1
464 1 40 GLY H 1 43 GLU HB3 2.645 . 3.490 2.528 1.921 3.579 0.089 2 0 "[ . 1 . 2]" 1
465 1 40 GLY H 1 43 GLU HG2 3.650 . 5.500 3.973 3.219 5.027 . 0 0 "[ . 1 . 2]" 1
466 1 40 GLY H 1 43 GLU HG3 3.650 . 5.500 4.820 4.214 5.510 0.010 18 0 "[ . 1 . 2]" 1
467 1 40 GLY HA2 1 41 LYS H 2.845 . 3.890 2.182 2.030 2.459 . 0 0 "[ . 1 . 2]" 1
468 1 42 ASN H 1 43 GLU H 3.045 . 4.290 3.089 2.297 3.447 . 0 0 "[ . 1 . 2]" 1
469 1 42 ASN HA 1 43 GLU H 2.520 . 3.240 2.305 2.068 2.898 . 0 0 "[ . 1 . 2]" 1
470 1 42 ASN HB3 1 76 TYR QE 4.250 . 6.700 2.961 1.588 4.966 0.212 1 0 "[ . 1 . 2]" 1
471 1 43 GLU HA 1 44 LEU H 2.460 . 3.120 2.628 2.428 2.743 . 0 0 "[ . 1 . 2]" 1
472 1 43 GLU HA 1 75 GLY HA3 2.970 . 4.140 3.723 3.468 4.051 . 0 0 "[ . 1 . 2]" 1
473 1 43 GLU HB3 1 44 LEU H 2.620 . 3.440 2.857 2.023 3.467 0.027 20 0 "[ . 1 . 2]" 1
474 1 43 GLU HG2 1 44 LEU H 3.605 . 5.410 2.338 1.775 3.939 0.025 15 0 "[ . 1 . 2]" 1
475 1 43 GLU HG2 1 77 ILE H 4.010 . 6.220 5.475 4.521 6.263 0.043 10 0 "[ . 1 . 2]" 1
476 1 44 LEU H 1 46 PHE QD 4.605 . 7.410 4.304 4.056 4.700 . 0 0 "[ . 1 . 2]" 1
477 1 44 LEU H 1 46 PHE QE 4.130 . 6.460 3.086 2.860 3.519 . 0 0 "[ . 1 . 2]" 1
478 1 44 LEU H 1 46 PHE HZ 3.650 . 5.500 4.955 4.618 5.506 0.006 17 0 "[ . 1 . 2]" 1
479 1 44 LEU H 1 75 GLY H 3.245 . 4.690 4.727 4.527 4.845 0.155 8 0 "[ . 1 . 2]" 1
480 1 44 LEU H 1 75 GLY HA2 3.195 . 4.590 4.117 3.925 4.484 . 0 0 "[ . 1 . 2]" 1
481 1 44 LEU H 1 76 TYR H 3.325 . 4.850 4.885 4.825 4.955 0.105 1 0 "[ . 1 . 2]" 1
482 1 44 LEU H 1 76 TYR HA 3.650 . 5.500 5.533 5.485 5.582 0.082 18 0 "[ . 1 . 2]" 1
483 1 44 LEU H 1 77 ILE MG 3.490 . 5.180 3.177 2.795 3.747 . 0 0 "[ . 1 . 2]" 1
484 1 44 LEU HA 1 45 SER H 2.340 . 2.880 2.292 2.194 2.358 . 0 0 "[ . 1 . 2]" 1
485 1 44 LEU HA 1 46 PHE QD 4.715 . 7.630 4.371 4.216 4.545 . 0 0 "[ . 1 . 2]" 1
486 1 44 LEU HA 1 75 GLY H 3.520 . 5.240 3.897 3.642 4.060 . 0 0 "[ . 1 . 2]" 1
487 1 44 LEU HA 1 75 GLY HA3 2.325 . 2.850 2.172 1.954 2.353 . 0 0 "[ . 1 . 2]" 1
488 1 44 LEU HA 1 76 TYR H 3.650 . 5.500 5.275 5.036 5.507 0.007 15 0 "[ . 1 . 2]" 1
489 1 44 LEU HB2 1 45 SER H 3.145 . 4.490 4.237 4.063 4.330 . 0 0 "[ . 1 . 2]" 1
490 1 44 LEU HB2 1 46 PHE QD 4.200 . 6.600 3.541 3.238 3.946 . 0 0 "[ . 1 . 2]" 1
491 1 44 LEU HB2 1 46 PHE QE 4.060 . 6.320 3.088 2.723 3.790 . 0 0 "[ . 1 . 2]" 1
492 1 44 LEU HB2 1 75 GLY H 2.975 . 4.150 2.753 2.328 2.895 . 0 0 "[ . 1 . 2]" 1
493 1 44 LEU HB2 1 75 GLY HA2 3.070 . 4.340 3.558 3.434 3.715 . 0 0 "[ . 1 . 2]" 1
494 1 44 LEU HB2 1 75 GLY HA3 3.140 . 4.480 1.922 1.789 2.182 0.011 14 0 "[ . 1 . 2]" 1
495 1 44 LEU HB2 1 76 TYR H 3.175 . 4.550 4.302 3.554 4.565 0.015 20 0 "[ . 1 . 2]" 1
496 1 44 LEU HB2 1 77 ILE H 3.080 . 4.360 4.459 4.086 4.556 0.196 16 0 "[ . 1 . 2]" 1
497 1 44 LEU HB2 1 77 ILE MG 3.290 . 4.780 2.783 2.498 3.252 . 0 0 "[ . 1 . 2]" 1
498 1 44 LEU HB3 1 45 SER H 2.940 . 4.080 3.507 3.201 4.027 . 0 0 "[ . 1 . 2]" 1
499 1 44 LEU HB3 1 46 PHE QD 3.995 . 6.190 1.910 1.611 2.632 0.189 13 0 "[ . 1 . 2]" 1
500 1 44 LEU HB3 1 46 PHE QE 3.725 . 5.650 2.191 1.822 2.487 . 0 0 "[ . 1 . 2]" 1
501 1 44 LEU MD1 1 45 SER H 3.565 . 5.330 3.926 2.265 4.405 . 0 0 "[ . 1 . 2]" 1
502 1 44 LEU MD1 1 45 SER HA 4.160 . 6.520 5.389 4.613 5.573 . 0 0 "[ . 1 . 2]" 1
503 1 44 LEU MD1 1 46 PHE HA 4.485 . 7.170 5.440 5.182 5.653 . 0 0 "[ . 1 . 2]" 1
504 1 44 LEU MD1 1 46 PHE QD 4.715 . 7.630 2.741 2.321 3.666 . 0 0 "[ . 1 . 2]" 1
505 1 44 LEU MD1 1 46 PHE QE 4.770 . 7.740 3.625 2.947 4.695 . 0 0 "[ . 1 . 2]" 1
506 1 44 LEU MD1 1 52 ILE MD 3.975 . 6.150 3.138 2.584 4.145 . 0 0 "[ . 1 . 2]" 1
507 1 44 LEU MD1 1 66 LEU MD1 5.390 . 8.980 4.614 4.247 5.291 . 0 0 "[ . 1 . 2]" 1
508 1 44 LEU MD1 1 67 GLY HA3 3.895 . 5.990 3.443 3.043 4.881 . 0 0 "[ . 1 . 2]" 1
509 1 44 LEU MD1 1 68 ARG HA 3.320 . 4.840 2.369 2.158 3.320 . 0 0 "[ . 1 . 2]" 1
510 1 44 LEU MD1 1 69 THR H 3.680 . 5.560 2.739 2.312 3.496 . 0 0 "[ . 1 . 2]" 1
511 1 44 LEU MD1 1 69 THR HA 4.050 . 6.300 4.044 3.735 4.703 . 0 0 "[ . 1 . 2]" 1
512 1 44 LEU MD1 1 70 ALA H 4.670 . 7.540 5.858 5.483 6.155 . 0 0 "[ . 1 . 2]" 1
513 1 44 LEU MD1 1 72 GLY H 4.670 . 7.540 5.744 5.380 6.035 . 0 0 "[ . 1 . 2]" 1
514 1 44 LEU MD1 1 73 SER H 4.300 . 6.800 4.039 3.750 4.311 . 0 0 "[ . 1 . 2]" 1
515 1 44 LEU MD1 1 73 SER HA 4.370 . 6.940 4.762 4.191 4.911 . 0 0 "[ . 1 . 2]" 1
516 1 44 LEU MD1 1 73 SER HB2 3.820 . 5.840 2.891 2.317 3.208 . 0 0 "[ . 1 . 2]" 1
517 1 44 LEU MD1 1 74 TYR H 3.585 . 5.370 4.371 3.763 4.467 . 0 0 "[ . 1 . 2]" 1
518 1 44 LEU MD1 1 74 TYR HA 3.850 . 5.900 3.137 2.963 3.305 . 0 0 "[ . 1 . 2]" 1
519 1 44 LEU MD1 1 75 GLY H 3.570 . 5.340 1.988 1.548 2.236 0.252 8 0 "[ . 1 . 2]" 1
520 1 44 LEU MD1 1 75 GLY HA2 4.060 . 6.320 4.139 3.418 4.397 . 0 0 "[ . 1 . 2]" 1
521 1 44 LEU MD1 1 75 GLY HA3 3.710 . 5.620 3.076 2.381 3.460 . 0 0 "[ . 1 . 2]" 1
522 1 44 LEU MD1 1 76 TYR H 4.180 . 6.560 4.686 3.554 5.132 . 0 0 "[ . 1 . 2]" 1
523 1 44 LEU MD1 1 77 ILE H 4.670 . 7.540 4.902 4.180 5.781 . 0 0 "[ . 1 . 2]" 1
524 1 44 LEU MD1 1 77 ILE HA 4.670 . 7.540 5.357 4.725 6.049 . 0 0 "[ . 1 . 2]" 1
525 1 44 LEU MD1 1 77 ILE MG 3.985 . 6.170 3.252 2.732 4.234 . 0 0 "[ . 1 . 2]" 1
526 1 44 LEU MD2 1 45 SER HA 4.160 . 6.520 4.049 3.662 5.426 . 0 0 "[ . 1 . 2]" 1
527 1 44 LEU MD2 1 68 ARG HA 3.320 . 4.840 3.840 3.250 3.965 . 0 0 "[ . 1 . 2]" 1
528 1 45 SER H 1 46 PHE QD 4.005 . 6.210 3.916 3.767 4.148 . 0 0 "[ . 1 . 2]" 1
529 1 45 SER H 1 75 GLY H 3.650 . 5.500 5.483 5.215 5.553 0.053 17 0 "[ . 1 . 2]" 1
530 1 45 SER HA 1 46 PHE H 2.310 . 2.820 2.132 2.066 2.207 . 0 0 "[ . 1 . 2]" 1
531 1 45 SER HB2 1 46 PHE H 3.050 . 4.300 3.951 3.229 4.267 . 0 0 "[ . 1 . 2]" 1
532 1 45 SER HB2 1 46 PHE HA 3.610 . 5.420 4.612 4.355 4.841 . 0 0 "[ . 1 . 2]" 1
533 1 45 SER HB3 1 46 PHE H 3.050 . 4.300 3.646 3.278 4.202 . 0 0 "[ . 1 . 2]" 1
534 1 46 PHE H 1 47 LYS H 3.170 . 4.540 4.289 4.234 4.329 . 0 0 "[ . 1 . 2]" 1
535 1 46 PHE HA 1 47 LYS H 2.360 . 2.920 2.405 2.245 2.601 . 0 0 "[ . 1 . 2]" 1
536 1 46 PHE HB2 1 47 LYS H 2.520 . 3.240 2.311 2.020 2.516 . 0 0 "[ . 1 . 2]" 1
537 1 46 PHE HB2 1 50 GLU H 3.215 . 4.630 4.315 4.092 4.516 . 0 0 "[ . 1 . 2]" 1
538 1 46 PHE HB2 1 50 GLU HB2 3.650 . 5.500 2.660 2.351 3.232 . 0 0 "[ . 1 . 2]" 1
539 1 46 PHE HB2 1 50 GLU HB3 3.650 . 5.500 3.175 2.523 3.951 . 0 0 "[ . 1 . 2]" 1
540 1 46 PHE HB2 1 51 GLN H 3.605 . 5.410 5.046 4.864 5.336 . 0 0 "[ . 1 . 2]" 1
541 1 46 PHE HB2 1 52 ILE MD 3.355 . 4.910 2.853 2.546 3.024 . 0 0 "[ . 1 . 2]" 1
542 1 46 PHE HB3 1 47 LYS H 2.690 . 3.580 3.545 3.395 3.607 0.027 13 0 "[ . 1 . 2]" 1
543 1 46 PHE HB3 1 50 GLU HB2 4.010 . 6.220 4.025 3.593 4.609 . 0 0 "[ . 1 . 2]" 1
544 1 46 PHE HB3 1 52 ILE MD 3.435 . 5.070 3.079 2.652 3.286 . 0 0 "[ . 1 . 2]" 1
545 1 46 PHE QD 1 47 LYS H 3.925 . 6.050 3.496 3.048 3.769 . 0 0 "[ . 1 . 2]" 1
546 1 46 PHE QD 1 48 GLN H 4.515 . 7.230 4.536 4.056 4.832 . 0 0 "[ . 1 . 2]" 1
547 1 46 PHE QD 1 49 GLY H 4.555 . 7.310 5.099 4.820 5.331 . 0 0 "[ . 1 . 2]" 1
548 1 46 PHE QD 1 50 GLU H 4.435 . 7.070 4.680 4.427 4.863 . 0 0 "[ . 1 . 2]" 1
549 1 46 PHE QD 1 50 GLU HB2 4.470 . 7.140 4.063 3.715 4.517 . 0 0 "[ . 1 . 2]" 1
550 1 46 PHE QD 1 50 GLU HB3 4.470 . 7.140 4.775 3.842 5.595 . 0 0 "[ . 1 . 2]" 1
551 1 46 PHE QD 1 52 ILE MD 4.355 . 6.910 2.649 2.584 2.732 . 0 0 "[ . 1 . 2]" 1
552 1 46 PHE QD 1 52 ILE MG 4.825 . 7.850 4.057 3.711 4.266 . 0 0 "[ . 1 . 2]" 1
553 1 46 PHE QD 1 77 ILE MD 5.140 . 8.480 5.432 4.967 5.667 . 0 0 "[ . 1 . 2]" 1
554 1 46 PHE QD 1 77 ILE MG 4.440 . 7.080 3.627 3.408 3.776 . 0 0 "[ . 1 . 2]" 1
555 1 46 PHE QD 1 82 VAL MG1 4.830 . 7.860 4.016 3.790 4.203 . 0 0 "[ . 1 . 2]" 1
556 1 46 PHE QE 1 47 LYS H 4.715 . 7.630 5.726 5.324 5.957 . 0 0 "[ . 1 . 2]" 1
557 1 46 PHE QE 1 52 ILE MD 4.680 . 7.560 3.015 2.817 3.322 . 0 0 "[ . 1 . 2]" 1
558 1 46 PHE QE 1 77 ILE HB 4.170 . 6.540 4.308 4.056 4.454 . 0 0 "[ . 1 . 2]" 1
559 1 46 PHE QE 1 77 ILE MD 4.615 . 7.430 4.298 3.758 4.645 . 0 0 "[ . 1 . 2]" 1
560 1 46 PHE QE 1 77 ILE MG 4.210 . 6.620 1.900 1.688 2.061 0.112 17 0 "[ . 1 . 2]" 1
561 1 46 PHE QE 1 78 LYS H 4.715 . 7.630 4.891 4.354 5.225 . 0 0 "[ . 1 . 2]" 1
562 1 46 PHE QE 1 81 ALA MB 4.085 . 6.370 2.486 2.209 2.799 . 0 0 "[ . 1 . 2]" 1
563 1 46 PHE QE 1 82 VAL MG1 4.250 . 6.700 3.088 2.849 3.326 . 0 0 "[ . 1 . 2]" 1
564 1 46 PHE HZ 1 52 ILE MD 3.925 . 6.050 3.635 3.365 4.237 . 0 0 "[ . 1 . 2]" 1
565 1 46 PHE HZ 1 77 ILE HB 3.250 . 4.700 3.992 3.702 4.170 . 0 0 "[ . 1 . 2]" 1
566 1 46 PHE HZ 1 77 ILE MG 3.000 . 4.200 2.339 2.031 2.546 . 0 0 "[ . 1 . 2]" 1
567 1 46 PHE HZ 1 78 LYS H 3.585 . 5.370 4.567 4.109 4.959 . 0 0 "[ . 1 . 2]" 1
568 1 46 PHE HZ 1 81 ALA MB 3.045 . 4.290 2.076 1.805 2.400 . 0 0 "[ . 1 . 2]" 1
569 1 46 PHE HZ 1 82 VAL MG1 3.255 . 4.710 2.855 2.369 3.095 . 0 0 "[ . 1 . 2]" 1
570 1 47 LYS H 1 50 GLU H 3.055 . 4.310 4.007 3.651 4.321 0.011 10 0 "[ . 1 . 2]" 1
571 1 47 LYS H 1 50 GLU HA 3.650 . 5.500 4.498 3.856 5.163 . 0 0 "[ . 1 . 2]" 1
572 1 47 LYS H 1 50 GLU HB2 3.110 . 4.420 2.330 1.883 2.881 . 0 0 "[ . 1 . 2]" 1
573 1 47 LYS H 1 51 GLN H 3.650 . 5.500 5.565 5.522 5.619 0.119 17 0 "[ . 1 . 2]" 1
574 1 47 LYS H 1 52 ILE MD 4.120 . 6.440 4.787 4.212 5.074 . 0 0 "[ . 1 . 2]" 1
575 1 47 LYS HA 1 48 GLN H 2.545 . 3.290 2.243 2.097 2.377 . 0 0 "[ . 1 . 2]" 1
576 1 47 LYS HB2 1 50 GLU HB2 3.920 . 6.040 3.648 2.739 5.402 . 0 0 "[ . 1 . 2]" 1
577 1 47 LYS HB2 1 50 GLU HG3 3.565 . 5.330 3.828 2.151 5.386 0.056 20 0 "[ . 1 . 2]" 1
578 1 47 LYS HG2 1 48 GLN H 3.245 . 4.690 4.300 3.024 4.772 0.082 12 0 "[ . 1 . 2]" 1
579 1 48 GLN H 1 49 GLY H 3.210 . 4.620 4.471 4.367 4.529 . 0 0 "[ . 1 . 2]" 1
580 1 48 GLN H 1 50 GLU H 3.645 . 5.490 4.873 4.646 5.104 . 0 0 "[ . 1 . 2]" 1
581 1 48 GLN HA 1 49 GLY H 2.300 . 2.800 2.122 2.071 2.182 . 0 0 "[ . 1 . 2]" 1
582 1 48 GLN HA 1 50 GLU H 2.995 . 4.190 3.559 3.112 3.778 . 0 0 "[ . 1 . 2]" 1
583 1 48 GLN HG2 1 49 GLY H 3.620 . 5.440 3.515 2.805 5.233 . 0 0 "[ . 1 . 2]" 1
584 1 49 GLY H 1 50 GLU H 2.570 . 3.340 2.435 2.200 2.630 . 0 0 "[ . 1 . 2]" 1
585 1 50 GLU H 1 51 GLN H 2.575 . 3.350 2.427 2.181 2.583 . 0 0 "[ . 1 . 2]" 1
586 1 50 GLU H 1 52 ILE MD 4.160 . 6.520 4.789 4.317 5.279 . 0 0 "[ . 1 . 2]" 1
587 1 50 GLU H 1 52 ILE HG13 3.555 . 5.310 4.832 4.437 5.369 0.059 18 0 "[ . 1 . 2]" 1
588 1 50 GLU HA 1 51 GLN HA 3.650 . 5.500 5.237 5.142 5.317 . 0 0 "[ . 1 . 2]" 1
589 1 50 GLU HB2 1 51 GLN H 2.735 . 3.670 3.371 2.897 3.709 0.039 2 0 "[ . 1 . 2]" 1
590 1 50 GLU HB2 1 52 ILE MD 3.885 . 5.970 4.205 3.219 4.801 . 0 0 "[ . 1 . 2]" 1
591 1 50 GLU HB3 1 51 GLN H 2.735 . 3.670 3.106 2.371 3.724 0.054 4 0 "[ . 1 . 2]" 1
592 1 51 GLN H 1 52 ILE H 2.900 . 4.000 3.682 3.379 4.022 0.022 10 0 "[ . 1 . 2]" 1
593 1 51 GLN H 1 52 ILE MD 4.125 . 6.450 4.422 3.911 4.746 . 0 0 "[ . 1 . 2]" 1
594 1 51 GLN H 1 52 ILE HG12 3.075 . 4.350 4.049 3.059 4.366 0.016 4 0 "[ . 1 . 2]" 1
595 1 51 GLN H 1 52 ILE HG13 3.105 . 4.410 3.474 3.109 4.466 0.056 18 0 "[ . 1 . 2]" 1
596 1 51 GLN HA 1 52 ILE H 2.470 . 3.140 2.015 1.842 2.083 . 0 0 "[ . 1 . 2]" 1
597 1 51 GLN HA 1 52 ILE HA 3.250 . 4.700 4.338 4.279 4.389 . 0 0 "[ . 1 . 2]" 1
598 1 51 GLN HG2 1 52 ILE H 3.350 . 4.900 3.629 2.828 4.932 0.032 6 0 "[ . 1 . 2]" 1
599 1 51 GLN HG3 1 52 ILE H 3.350 . 4.900 3.442 2.341 4.908 0.008 7 0 "[ . 1 . 2]" 1
600 1 52 ILE H 1 53 GLU H 3.200 . 4.600 4.390 4.349 4.434 . 0 0 "[ . 1 . 2]" 1
601 1 52 ILE H 1 53 GLU HA 3.650 . 5.500 4.670 4.523 4.879 . 0 0 "[ . 1 . 2]" 1
602 1 52 ILE HA 1 82 VAL MG1 4.160 . 6.520 5.369 5.091 5.426 . 0 0 "[ . 1 . 2]" 1
603 1 52 ILE HB 1 53 GLU H 2.765 . 3.730 3.585 3.251 3.752 0.022 12 0 "[ . 1 . 2]" 1
604 1 52 ILE HB 1 82 VAL MG1 3.455 . 5.110 3.114 3.038 3.308 . 0 0 "[ . 1 . 2]" 1
605 1 52 ILE MD 1 52 ILE MG 3.400 . 5.000 1.880 1.828 1.935 . 0 0 "[ . 1 . 2]" 1
606 1 52 ILE MD 1 53 GLU H 3.855 . 5.910 4.679 4.020 4.850 . 0 0 "[ . 1 . 2]" 1
607 1 52 ILE MD 1 77 ILE MD 3.720 . 5.640 3.372 3.001 3.565 . 0 0 "[ . 1 . 2]" 1
608 1 52 ILE MD 1 77 ILE MG 3.975 . 6.150 2.829 2.541 3.440 . 0 0 "[ . 1 . 2]" 1
609 1 52 ILE MD 1 82 VAL MG1 3.640 . 5.480 1.733 1.511 2.865 0.289 16 0 "[ . 1 . 2]" 1
610 1 52 ILE HG12 1 52 ILE MG 2.820 . 3.840 2.592 2.484 3.192 . 0 0 "[ . 1 . 2]" 1
611 1 52 ILE MG 1 53 GLU H 3.045 . 4.290 2.064 1.657 2.302 0.143 8 0 "[ . 1 . 2]" 1
612 1 52 ILE MG 1 53 GLU HG2 4.180 . 6.560 5.184 5.034 5.334 . 0 0 "[ . 1 . 2]" 1
613 1 52 ILE MG 1 67 GLY HA2 3.560 . 5.320 3.063 2.875 3.184 . 0 0 "[ . 1 . 2]" 1
614 1 52 ILE MG 1 67 GLY HA3 3.260 . 4.720 2.409 2.207 2.567 . 0 0 "[ . 1 . 2]" 1
615 1 52 ILE MG 1 68 ARG H 3.200 . 4.600 2.296 2.067 2.525 . 0 0 "[ . 1 . 2]" 1
616 1 52 ILE MG 1 68 ARG HA 3.835 . 5.870 3.696 3.517 4.067 . 0 0 "[ . 1 . 2]" 1
617 1 52 ILE MG 1 68 ARG HB2 4.160 . 6.520 4.850 4.714 5.097 . 0 0 "[ . 1 . 2]" 1
618 1 52 ILE MG 1 68 ARG HB3 4.075 . 6.350 4.363 4.198 4.624 . 0 0 "[ . 1 . 2]" 1
619 1 52 ILE MG 1 69 THR H 3.940 . 6.080 4.150 3.895 4.672 . 0 0 "[ . 1 . 2]" 1
620 1 53 GLU H 1 54 ILE H 3.205 . 4.610 4.372 4.239 4.438 . 0 0 "[ . 1 . 2]" 1
621 1 53 GLU H 1 67 GLY HA2 3.365 . 4.930 4.275 4.173 4.463 . 0 0 "[ . 1 . 2]" 1
622 1 53 GLU H 1 67 GLY HA3 3.375 . 4.950 4.519 4.327 4.718 . 0 0 "[ . 1 . 2]" 1
623 1 53 GLU H 1 68 ARG H 2.830 . 3.860 2.528 2.362 2.854 . 0 0 "[ . 1 . 2]" 1
624 1 53 GLU H 1 68 ARG HA 3.650 . 5.500 4.618 4.452 5.226 . 0 0 "[ . 1 . 2]" 1
625 1 53 GLU HA 1 54 ILE H 2.520 . 3.240 2.199 2.115 2.261 . 0 0 "[ . 1 . 2]" 1
626 1 53 GLU HA 1 54 ILE MG 3.420 . 5.040 3.833 3.739 3.957 . 0 0 "[ . 1 . 2]" 1
627 1 53 GLU HB2 1 54 ILE H 2.975 . 4.150 3.824 3.681 3.992 . 0 0 "[ . 1 . 2]" 1
628 1 53 GLU HB3 1 54 ILE H 2.725 . 3.650 3.064 2.858 3.241 . 0 0 "[ . 1 . 2]" 1
629 1 54 ILE H 1 55 ILE H 3.380 . 4.960 4.363 4.270 4.425 . 0 0 "[ . 1 . 2]" 1
630 1 54 ILE H 1 55 ILE HA 3.650 . 5.500 4.956 4.836 5.096 . 0 0 "[ . 1 . 2]" 1
631 1 54 ILE HA 1 55 ILE H 2.545 . 3.290 2.089 2.047 2.122 . 0 0 "[ . 1 . 2]" 1
632 1 54 ILE HA 1 66 LEU H 3.365 . 4.930 4.878 4.769 4.951 0.021 17 0 "[ . 1 . 2]" 1
633 1 54 ILE HA 1 67 GLY HA2 2.685 . 3.570 2.430 2.307 2.583 . 0 0 "[ . 1 . 2]" 1
634 1 54 ILE HA 1 67 GLY HA3 2.975 . 4.150 3.770 3.500 3.926 . 0 0 "[ . 1 . 2]" 1
635 1 54 ILE MD 1 55 ILE H 3.105 . 4.410 2.469 2.333 2.627 . 0 0 "[ . 1 . 2]" 1
636 1 54 ILE MD 1 56 ARG H 3.180 . 4.560 2.941 2.633 3.209 . 0 0 "[ . 1 . 2]" 1
637 1 54 ILE MD 1 57 ILE MD 3.485 . 5.170 3.385 3.352 3.418 . 0 0 "[ . 1 . 2]" 1
638 1 54 ILE MD 1 65 TRP HA 4.015 . 6.230 3.504 3.296 3.709 . 0 0 "[ . 1 . 2]" 1
639 1 54 ILE MD 1 65 TRP HB2 3.200 . 4.600 2.999 2.884 3.139 . 0 0 "[ . 1 . 2]" 1
640 1 54 ILE MD 1 65 TRP HB3 3.220 . 4.640 1.791 1.625 1.874 0.175 4 0 "[ . 1 . 2]" 1
641 1 54 ILE MD 1 65 TRP HE3 3.240 . 4.680 2.999 2.850 3.286 . 0 0 "[ . 1 . 2]" 1
642 1 54 ILE MD 1 67 GLY HA2 3.805 . 5.810 3.003 2.823 3.137 . 0 0 "[ . 1 . 2]" 1
643 1 54 ILE HG12 1 54 ILE MG 3.195 . 4.590 2.221 2.194 2.263 . 0 0 "[ . 1 . 2]" 1
644 1 54 ILE HG12 1 57 ILE HA 3.285 . 4.770 4.650 4.252 4.808 0.038 5 0 "[ . 1 . 2]" 1
645 1 54 ILE HG12 1 57 ILE MD 3.350 . 4.900 2.887 2.733 3.089 . 0 0 "[ . 1 . 2]" 1
646 1 54 ILE HG12 1 57 ILE MG 3.200 . 4.600 1.970 1.688 2.077 0.112 17 0 "[ . 1 . 2]" 1
647 1 54 ILE HG12 1 65 TRP HE3 3.650 . 5.500 4.533 4.272 4.855 . 0 0 "[ . 1 . 2]" 1
648 1 54 ILE HG13 1 55 ILE HA 3.650 . 5.500 3.936 3.803 4.172 . 0 0 "[ . 1 . 2]" 1
649 1 54 ILE HG13 1 56 ARG H 2.880 . 3.960 3.382 3.075 3.760 . 0 0 "[ . 1 . 2]" 1
650 1 54 ILE HG13 1 57 ILE MD 3.350 . 4.900 2.677 2.472 2.826 . 0 0 "[ . 1 . 2]" 1
651 1 54 ILE HG13 1 66 LEU H 3.085 . 4.370 4.368 4.258 4.432 0.062 6 0 "[ . 1 . 2]" 1
652 1 54 ILE MG 1 57 ILE MD 3.800 . 5.800 3.250 2.951 3.502 . 0 0 "[ . 1 . 2]" 1
653 1 54 ILE MG 1 84 ILE HB 3.130 . 4.460 2.999 2.716 3.350 . 0 0 "[ . 1 . 2]" 1
654 1 54 ILE MG 1 84 ILE MG 3.535 . 5.270 2.457 2.215 2.808 . 0 0 "[ . 1 . 2]" 1
655 1 55 ILE H 1 56 ARG H 2.665 . 3.530 2.246 2.092 2.423 . 0 0 "[ . 1 . 2]" 1
656 1 55 ILE H 1 66 LEU H 3.300 . 4.800 4.294 4.183 4.481 . 0 0 "[ . 1 . 2]" 1
657 1 55 ILE H 1 67 GLY HA2 2.745 . 3.690 3.037 2.806 3.211 . 0 0 "[ . 1 . 2]" 1
658 1 55 ILE HA 1 57 ILE MD 3.620 . 5.440 4.423 4.093 4.586 . 0 0 "[ . 1 . 2]" 1
659 1 55 ILE HB 1 56 ARG H 2.810 . 3.820 3.558 3.255 3.824 0.004 4 0 "[ . 1 . 2]" 1
660 1 55 ILE HB 1 66 LEU MD1 4.670 . 7.540 5.807 5.647 5.978 . 0 0 "[ . 1 . 2]" 1
661 1 55 ILE MD 1 56 ARG H 3.360 . 4.920 3.295 3.092 3.455 . 0 0 "[ . 1 . 2]" 1
662 1 55 ILE MD 1 66 LEU H 3.990 . 6.180 4.782 4.610 4.920 . 0 0 "[ . 1 . 2]" 1
663 1 55 ILE MD 1 66 LEU HA 4.020 . 6.240 4.293 4.142 4.467 . 0 0 "[ . 1 . 2]" 1
664 1 55 ILE MD 1 67 GLY HA2 3.015 . 4.230 2.362 2.100 2.514 . 0 0 "[ . 1 . 2]" 1
665 1 55 ILE MD 1 68 ARG HD3 3.995 . 6.190 3.382 2.886 3.682 . 0 0 "[ . 1 . 2]" 1
666 1 55 ILE MD 1 74 TYR QD 4.355 . 6.910 2.444 2.171 2.687 . 0 0 "[ . 1 . 2]" 1
667 1 55 ILE MD 1 74 TYR QE 4.085 . 6.370 2.675 2.376 2.953 . 0 0 "[ . 1 . 2]" 1
668 1 55 ILE HG12 1 56 ARG H 2.810 . 3.820 2.121 1.793 2.303 0.007 10 0 "[ . 1 . 2]" 1
669 1 55 ILE HG12 1 56 ARG HB2 3.635 . 5.470 3.664 2.922 4.280 . 0 0 "[ . 1 . 2]" 1
670 1 55 ILE HG12 1 66 LEU MD1 4.385 . 6.970 3.977 3.884 4.108 . 0 0 "[ . 1 . 2]" 1
671 1 55 ILE HG12 1 67 GLY HA2 2.970 . 4.140 4.145 3.973 4.203 0.063 10 0 "[ . 1 . 2]" 1
672 1 55 ILE HG12 1 74 TYR QE 4.625 . 7.450 3.554 3.281 3.785 . 0 0 "[ . 1 . 2]" 1
673 1 55 ILE HG13 1 56 ARG H 3.185 . 4.570 3.788 3.469 4.006 . 0 0 "[ . 1 . 2]" 1
674 1 55 ILE HG13 1 66 LEU HB3 2.885 . 3.970 3.954 3.761 4.022 0.052 11 0 "[ . 1 . 2]" 1
675 1 55 ILE HG13 1 66 LEU MD1 3.350 . 4.900 4.098 4.059 4.139 . 0 0 "[ . 1 . 2]" 1
676 1 55 ILE HG13 1 67 GLY HA2 3.515 . 5.230 5.100 4.874 5.195 . 0 0 "[ . 1 . 2]" 1
677 1 55 ILE HG13 1 74 TYR QE 3.870 . 5.940 1.855 1.560 2.088 0.240 13 0 "[ . 1 . 2]" 1
678 1 56 ARG H 1 57 ILE H 3.650 . 5.500 4.210 3.917 4.360 . 0 0 "[ . 1 . 2]" 1
679 1 56 ARG H 1 57 ILE MD 3.970 . 6.140 3.976 3.600 4.224 . 0 0 "[ . 1 . 2]" 1
680 1 56 ARG H 1 65 TRP HA 3.640 . 5.480 5.501 5.415 5.554 0.074 9 0 "[ . 1 . 2]" 1
681 1 56 ARG H 1 66 LEU H 2.950 . 4.100 3.269 3.178 3.342 . 0 0 "[ . 1 . 2]" 1
682 1 56 ARG H 1 66 LEU HB3 3.060 . 4.320 2.126 1.845 2.497 . 0 0 "[ . 1 . 2]" 1
683 1 56 ARG H 1 66 LEU MD1 4.070 . 6.340 4.742 4.522 4.940 . 0 0 "[ . 1 . 2]" 1
684 1 56 ARG H 1 67 GLY HA2 3.565 . 5.330 4.597 4.281 4.871 . 0 0 "[ . 1 . 2]" 1
685 1 56 ARG H 1 74 TYR QE 4.715 . 7.630 5.589 5.370 5.749 . 0 0 "[ . 1 . 2]" 1
686 1 56 ARG HB2 1 66 LEU HB2 3.385 . 4.970 4.091 2.696 4.617 . 0 0 "[ . 1 . 2]" 1
687 1 56 ARG HB2 1 66 LEU HB3 3.325 . 4.850 3.231 1.784 3.820 0.016 17 0 "[ . 1 . 2]" 1
688 1 56 ARG HB2 1 66 LEU MD1 4.140 . 6.480 5.037 4.148 5.422 . 0 0 "[ . 1 . 2]" 1
689 1 56 ARG HD2 1 58 THR H 3.650 . 5.500 4.917 3.319 5.540 0.040 18 0 "[ . 1 . 2]" 1
690 1 56 ARG HD2 1 59 ASP HB3 3.545 . 5.290 4.898 3.006 5.353 0.063 1 0 "[ . 1 . 2]" 1
691 1 56 ARG HD2 1 66 LEU MD1 5.030 . 8.260 6.389 5.553 6.871 . 0 0 "[ . 1 . 2]" 1
692 1 56 ARG HD3 1 58 THR H 3.650 . 5.500 4.148 2.846 5.559 0.059 12 0 "[ . 1 . 2]" 1
693 1 56 ARG HG2 1 58 THR H 3.345 . 4.890 3.765 2.917 4.936 0.046 4 0 "[ . 1 . 2]" 1
694 1 56 ARG HG2 1 58 THR MG 4.500 . 7.200 5.750 5.358 6.047 . 0 0 "[ . 1 . 2]" 1
695 1 56 ARG HG2 1 59 ASP HB3 3.805 . 5.810 4.761 4.229 5.916 0.106 7 0 "[ . 1 . 2]" 1
696 1 56 ARG HG2 1 66 LEU MD1 4.430 . 7.060 5.764 4.952 5.928 . 0 0 "[ . 1 . 2]" 1
697 1 57 ILE H 1 58 THR H 3.045 . 4.290 1.872 1.793 1.974 0.007 2 0 "[ . 1 . 2]" 1
698 1 57 ILE H 1 58 THR MG 3.805 . 5.810 3.832 3.038 4.389 . 0 0 "[ . 1 . 2]" 1
699 1 57 ILE HA 1 65 TRP HA 2.890 . 3.980 2.970 2.596 3.277 . 0 0 "[ . 1 . 2]" 1
700 1 57 ILE HA 1 65 TRP HB3 3.280 . 4.760 3.664 3.217 4.375 . 0 0 "[ . 1 . 2]" 1
701 1 57 ILE HA 1 65 TRP HD1 2.805 . 3.810 2.444 2.197 2.705 . 0 0 "[ . 1 . 2]" 1
702 1 57 ILE HA 1 65 TRP HE1 2.990 . 4.180 3.938 3.238 4.192 0.012 5 0 "[ . 1 . 2]" 1
703 1 57 ILE HA 1 66 LEU H 3.500 . 5.200 3.492 3.204 3.779 . 0 0 "[ . 1 . 2]" 1
704 1 57 ILE HB 1 58 THR H 3.480 . 5.160 3.766 3.320 4.207 . 0 0 "[ . 1 . 2]" 1
705 1 57 ILE HB 1 58 THR MG 3.270 . 4.740 3.462 2.566 3.792 . 0 0 "[ . 1 . 2]" 1
706 1 57 ILE HB 1 65 TRP HE1 2.850 . 3.900 3.151 2.952 3.417 . 0 0 "[ . 1 . 2]" 1
707 1 57 ILE MD 1 57 ILE MG 3.350 . 4.900 1.958 1.908 2.023 . 0 0 "[ . 1 . 2]" 1
708 1 57 ILE MD 1 58 THR H 3.825 . 5.850 3.162 2.658 3.473 . 0 0 "[ . 1 . 2]" 1
709 1 57 ILE MD 1 58 THR MG 4.005 . 6.210 3.676 2.991 4.177 . 0 0 "[ . 1 . 2]" 1
710 1 57 ILE MD 1 65 TRP HB3 4.160 . 6.520 5.069 4.949 5.307 . 0 0 "[ . 1 . 2]" 1
711 1 57 ILE MD 1 65 TRP HD1 4.115 . 6.430 5.252 5.130 5.316 . 0 0 "[ . 1 . 2]" 1
712 1 57 ILE MD 1 66 LEU H 4.160 . 6.520 4.926 4.792 5.120 . 0 0 "[ . 1 . 2]" 1
713 1 57 ILE HG12 1 58 THR H 3.090 . 4.380 2.579 2.229 3.399 . 0 0 "[ . 1 . 2]" 1
714 1 57 ILE HG12 1 58 THR MG 2.980 . 4.160 2.333 1.782 2.838 0.018 7 0 "[ . 1 . 2]" 1
715 1 57 ILE HG13 1 65 TRP HE1 3.650 . 5.500 5.249 5.079 5.516 0.016 4 0 "[ . 1 . 2]" 1
716 1 57 ILE MG 1 65 TRP HA 4.160 . 6.520 3.745 3.429 4.318 . 0 0 "[ . 1 . 2]" 1
717 1 57 ILE MG 1 65 TRP HD1 4.160 . 6.520 2.857 2.622 3.348 . 0 0 "[ . 1 . 2]" 1
718 1 57 ILE MG 1 65 TRP HE1 3.450 . 5.100 2.978 2.702 3.138 . 0 0 "[ . 1 . 2]" 1
719 1 57 ILE MG 1 65 TRP HE3 3.790 . 5.780 3.985 3.741 4.289 . 0 0 "[ . 1 . 2]" 1
720 1 57 ILE MG 1 66 LEU H 3.630 . 5.460 3.791 3.616 4.206 . 0 0 "[ . 1 . 2]" 1
721 1 58 THR H 1 59 ASP H 3.640 . 5.480 4.446 4.368 4.532 . 0 0 "[ . 1 . 2]" 1
722 1 58 THR HA 1 59 ASP H 2.565 . 3.330 2.251 2.119 2.452 . 0 0 "[ . 1 . 2]" 1
723 1 58 THR HA 1 60 ASN H 2.975 . 4.150 3.777 2.924 4.190 0.040 14 0 "[ . 1 . 2]" 1
724 1 58 THR MG 1 59 ASP H 3.555 . 5.310 3.458 3.143 3.793 . 0 0 "[ . 1 . 2]" 1
725 1 58 THR MG 1 59 ASP HB3 4.520 . 7.240 5.477 4.083 5.744 . 0 0 "[ . 1 . 2]" 1
726 1 58 THR MG 1 60 ASN H 4.160 . 6.520 5.257 4.678 5.395 . 0 0 "[ . 1 . 2]" 1
727 1 59 ASP H 1 60 ASN H 2.760 . 3.720 2.668 2.252 2.933 . 0 0 "[ . 1 . 2]" 1
728 1 59 ASP HA 1 60 ASN HA 3.290 . 4.780 4.432 4.118 4.781 0.001 4 0 "[ . 1 . 2]" 1
729 1 59 ASP HB3 1 60 ASN H 3.575 . 5.350 4.283 3.830 4.478 . 0 0 "[ . 1 . 2]" 1
730 1 60 ASN HB2 1 62 GLU H 3.180 . 4.560 3.664 2.940 4.603 0.043 13 0 "[ . 1 . 2]" 1
731 1 62 GLU HB3 1 64 LYS HE2 4.010 . 6.220 5.030 3.516 5.967 . 0 0 "[ . 1 . 2]" 1
732 1 62 GLU HB3 1 64 LYS HE3 4.010 . 6.220 4.303 2.793 5.141 . 0 0 "[ . 1 . 2]" 1
733 1 62 GLU HB3 1 64 LYS HG2 3.395 . 4.990 2.891 1.995 4.699 . 0 0 "[ . 1 . 2]" 1
734 1 62 GLU HG2 1 63 GLY H 3.650 . 5.500 4.763 3.910 5.441 . 0 0 "[ . 1 . 2]" 1
735 1 62 GLU HG2 1 64 LYS HE3 3.650 . 5.500 4.454 3.024 5.539 0.039 13 0 "[ . 1 . 2]" 1
736 1 62 GLU HG3 1 63 GLY H 3.650 . 5.500 4.647 3.747 5.508 0.008 7 0 "[ . 1 . 2]" 1
737 1 62 GLU HG3 1 64 LYS HE3 3.650 . 5.500 4.739 2.165 5.658 0.158 14 0 "[ . 1 . 2]" 1
738 1 63 GLY H 1 64 LYS H 2.960 . 4.120 2.192 1.766 2.560 0.034 4 0 "[ . 1 . 2]" 1
739 1 63 GLY HA2 1 79 THR MG 4.420 . 7.040 4.814 4.439 5.076 . 0 0 "[ . 1 . 2]" 1
740 1 64 LYS H 1 65 TRP H 3.245 . 4.690 4.468 4.341 4.604 . 0 0 "[ . 1 . 2]" 1
741 1 64 LYS H 1 78 LYS HA 3.460 . 5.120 5.143 4.904 5.231 0.111 3 0 "[ . 1 . 2]" 1
742 1 64 LYS H 1 79 THR MG 3.955 . 6.110 4.328 4.032 4.568 . 0 0 "[ . 1 . 2]" 1
743 1 64 LYS HA 1 65 TRP H 2.645 . 3.490 2.435 2.334 2.495 . 0 0 "[ . 1 . 2]" 1
744 1 64 LYS HA 1 78 LYS HA 2.675 . 3.550 3.047 2.824 3.247 . 0 0 "[ . 1 . 2]" 1
745 1 64 LYS HA 1 79 THR H 3.010 . 4.220 2.757 2.545 2.883 . 0 0 "[ . 1 . 2]" 1
746 1 64 LYS HA 1 79 THR MG 3.470 . 5.140 1.915 1.739 2.130 0.061 6 0 "[ . 1 . 2]" 1
747 1 64 LYS HA 1 80 THR H 3.645 . 5.490 5.478 5.261 5.553 0.063 19 0 "[ . 1 . 2]" 1
748 1 64 LYS HB2 1 65 TRP H 2.830 . 3.860 2.507 2.164 2.721 . 0 0 "[ . 1 . 2]" 1
749 1 64 LYS HB2 1 76 TYR HB2 3.360 . 4.920 4.391 4.009 4.664 . 0 0 "[ . 1 . 2]" 1
750 1 64 LYS HB3 1 65 TRP H 3.045 . 4.290 3.877 3.594 4.035 . 0 0 "[ . 1 . 2]" 1
751 1 64 LYS HB3 1 78 LYS HA 2.725 . 3.650 2.922 2.525 3.276 . 0 0 "[ . 1 . 2]" 1
752 1 64 LYS HE2 1 78 LYS HA 3.355 . 4.910 3.521 2.619 4.731 . 0 0 "[ . 1 . 2]" 1
753 1 64 LYS HG2 1 65 TRP H 3.025 . 4.250 4.246 3.972 4.374 0.124 20 0 "[ . 1 . 2]" 1
754 1 64 LYS HG2 1 76 TYR HB2 3.435 . 5.070 3.741 3.088 4.156 . 0 0 "[ . 1 . 2]" 1
755 1 64 LYS HG2 1 76 TYR HB3 3.030 . 4.260 4.141 3.759 4.303 0.043 4 0 "[ . 1 . 2]" 1
756 1 64 LYS HG2 1 78 LYS HA 3.435 . 5.070 4.977 4.733 5.147 0.077 6 0 "[ . 1 . 2]" 1
757 1 64 LYS HG3 1 76 TYR HB2 2.935 . 4.070 2.637 1.974 3.367 . 0 0 "[ . 1 . 2]" 1
758 1 64 LYS HG3 1 76 TYR HB3 2.680 . 3.560 3.105 2.685 3.417 . 0 0 "[ . 1 . 2]" 1
759 1 64 LYS HG3 1 77 ILE H 3.335 . 4.870 4.144 3.786 4.390 . 0 0 "[ . 1 . 2]" 1
760 1 64 LYS HG3 1 78 LYS HA 3.135 . 4.470 4.342 4.069 4.550 0.080 18 0 "[ . 1 . 2]" 1
761 1 65 TRP H 1 66 LEU H 3.540 . 5.280 4.506 4.461 4.589 . 0 0 "[ . 1 . 2]" 1
762 1 65 TRP H 1 77 ILE H 3.245 . 4.690 3.880 3.688 4.090 . 0 0 "[ . 1 . 2]" 1
763 1 65 TRP H 1 77 ILE MD 3.790 . 5.780 4.051 3.789 4.437 . 0 0 "[ . 1 . 2]" 1
764 1 65 TRP H 1 78 LYS H 3.350 . 4.900 4.912 4.812 4.978 0.078 6 0 "[ . 1 . 2]" 1
765 1 65 TRP H 1 78 LYS HA 3.175 . 4.550 3.358 3.166 3.632 . 0 0 "[ . 1 . 2]" 1
766 1 65 TRP H 1 79 THR H 3.165 . 4.530 2.892 2.778 3.068 . 0 0 "[ . 1 . 2]" 1
767 1 65 TRP H 1 79 THR MG 3.655 . 5.510 2.531 2.412 2.778 . 0 0 "[ . 1 . 2]" 1
768 1 65 TRP HA 1 79 THR MG 4.010 . 6.220 3.821 3.657 4.032 . 0 0 "[ . 1 . 2]" 1
769 1 65 TRP HB2 1 66 LEU H 2.815 . 3.830 3.558 3.449 3.828 . 0 0 "[ . 1 . 2]" 1
770 1 65 TRP HB2 1 77 ILE HB 3.435 . 5.070 3.913 3.752 4.232 . 0 0 "[ . 1 . 2]" 1
771 1 65 TRP HB2 1 77 ILE MD 3.160 . 4.520 2.504 2.339 2.942 . 0 0 "[ . 1 . 2]" 1
772 1 65 TRP HB2 1 77 ILE MG 3.875 . 5.950 4.576 4.482 4.672 . 0 0 "[ . 1 . 2]" 1
773 1 65 TRP HB3 1 66 LEU H 2.740 . 3.680 2.246 2.100 2.558 . 0 0 "[ . 1 . 2]" 1
774 1 65 TRP HB3 1 77 ILE HB 3.640 . 5.480 5.357 5.116 5.570 0.090 11 0 "[ . 1 . 2]" 1
775 1 65 TRP HB3 1 77 ILE MD 3.060 . 4.320 2.736 2.527 3.018 . 0 0 "[ . 1 . 2]" 1
776 1 65 TRP HB3 1 77 ILE MG 4.090 . 6.380 5.323 5.249 5.357 . 0 0 "[ . 1 . 2]" 1
777 1 65 TRP HB3 1 82 VAL MG2 3.700 . 5.600 4.528 4.127 4.671 . 0 0 "[ . 1 . 2]" 1
778 1 65 TRP HD1 1 66 LEU H 3.190 . 4.580 4.131 3.933 4.279 . 0 0 "[ . 1 . 2]" 1
779 1 65 TRP HD1 1 79 THR MG 3.665 . 5.530 3.240 3.062 3.527 . 0 0 "[ . 1 . 2]" 1
780 1 65 TRP HE1 1 79 THR HB 3.650 . 5.500 4.878 4.403 5.418 . 0 0 "[ . 1 . 2]" 1
781 1 65 TRP HE1 1 79 THR MG 3.360 . 4.920 3.267 3.091 3.527 . 0 0 "[ . 1 . 2]" 1
782 1 65 TRP HE3 1 77 ILE MD 3.450 . 5.100 2.569 2.273 3.716 . 0 0 "[ . 1 . 2]" 1
783 1 65 TRP HE3 1 79 THR H 3.650 . 5.500 5.067 4.850 5.291 . 0 0 "[ . 1 . 2]" 1
784 1 65 TRP HE3 1 79 THR HA 3.335 . 4.870 2.860 2.700 3.226 . 0 0 "[ . 1 . 2]" 1
785 1 65 TRP HE3 1 79 THR HB 2.990 . 4.180 4.130 3.644 4.225 0.045 18 0 "[ . 1 . 2]" 1
786 1 65 TRP HE3 1 79 THR MG 3.665 . 5.530 3.379 3.079 3.591 . 0 0 "[ . 1 . 2]" 1
787 1 65 TRP HE3 1 82 VAL MG2 3.130 . 4.460 2.391 2.156 2.628 . 0 0 "[ . 1 . 2]" 1
788 1 65 TRP HE3 1 84 ILE H 3.550 . 5.300 5.296 5.110 5.363 0.063 19 0 "[ . 1 . 2]" 1
789 1 65 TRP HE3 1 84 ILE MG 3.275 . 4.750 3.154 2.757 3.593 . 0 0 "[ . 1 . 2]" 1
790 1 66 LEU H 1 67 GLY H 3.220 . 4.640 4.170 4.073 4.253 . 0 0 "[ . 1 . 2]" 1
791 1 66 LEU H 1 77 ILE H 3.465 . 5.130 4.664 4.430 4.936 . 0 0 "[ . 1 . 2]" 1
792 1 66 LEU H 1 77 ILE MD 3.725 . 5.650 3.931 3.507 4.266 . 0 0 "[ . 1 . 2]" 1
793 1 66 LEU HA 1 67 GLY H 2.395 . 2.990 2.145 2.073 2.204 . 0 0 "[ . 1 . 2]" 1
794 1 66 LEU HA 1 75 GLY H 3.650 . 5.500 5.232 4.997 5.526 0.026 4 0 "[ . 1 . 2]" 1
795 1 66 LEU HA 1 76 TYR HA 2.720 . 3.640 1.905 1.786 2.079 0.014 3 0 "[ . 1 . 2]" 1
796 1 66 LEU HA 1 77 ILE H 2.930 . 4.060 2.940 2.672 3.250 . 0 0 "[ . 1 . 2]" 1
797 1 66 LEU HB2 1 76 TYR HB3 3.300 . 4.800 3.795 3.390 4.153 . 0 0 "[ . 1 . 2]" 1
798 1 66 LEU HB2 1 77 ILE H 3.645 . 5.490 5.249 4.942 5.505 0.015 11 0 "[ . 1 . 2]" 1
799 1 66 LEU MD1 1 67 GLY H 3.635 . 5.470 2.776 2.596 3.051 . 0 0 "[ . 1 . 2]" 1
800 1 66 LEU MD1 1 67 GLY HA3 4.425 . 7.050 4.796 4.596 5.065 . 0 0 "[ . 1 . 2]" 1
801 1 66 LEU MD1 1 74 TYR H 4.670 . 7.540 4.840 4.633 5.257 . 0 0 "[ . 1 . 2]" 1
802 1 66 LEU MD1 1 74 TYR HA 4.670 . 7.540 3.338 3.061 3.645 . 0 0 "[ . 1 . 2]" 1
803 1 66 LEU MD1 1 74 TYR HB2 3.765 . 5.730 3.438 3.159 3.821 . 0 0 "[ . 1 . 2]" 1
804 1 66 LEU MD1 1 74 TYR HB3 4.435 . 7.070 1.811 1.561 2.253 0.239 9 0 "[ . 1 . 2]" 1
805 1 66 LEU MD1 1 74 TYR QD 4.635 . 7.470 2.359 2.131 2.761 . 0 0 "[ . 1 . 2]" 1
806 1 66 LEU MD1 1 75 GLY H 3.800 . 5.800 3.831 3.547 4.221 . 0 0 "[ . 1 . 2]" 1
807 1 66 LEU MD1 1 75 GLY HA2 4.305 . 6.810 4.043 3.803 4.402 . 0 0 "[ . 1 . 2]" 1
808 1 66 LEU MD1 1 75 GLY HA3 4.440 . 7.080 4.782 4.494 5.137 . 0 0 "[ . 1 . 2]" 1
809 1 66 LEU MD1 1 76 TYR H 4.120 . 6.440 2.667 2.024 3.218 . 0 0 "[ . 1 . 2]" 1
810 1 66 LEU MD1 1 76 TYR HA 3.810 . 5.820 2.508 2.355 2.765 . 0 0 "[ . 1 . 2]" 1
811 1 66 LEU MD1 1 76 TYR QD 4.265 . 6.730 1.828 1.649 2.004 0.151 13 0 "[ . 1 . 2]" 1
812 1 66 LEU MD1 1 76 TYR QE 4.710 . 7.620 3.244 2.963 3.513 . 0 0 "[ . 1 . 2]" 1
813 1 66 LEU MD1 1 77 ILE H 4.245 . 6.690 4.022 3.891 4.316 . 0 0 "[ . 1 . 2]" 1
814 1 66 LEU MD2 1 74 TYR QD 4.640 . 7.480 2.192 1.884 2.505 . 0 0 "[ . 1 . 2]" 1
815 1 66 LEU MD2 1 76 TYR QD 4.265 . 6.730 3.721 3.562 3.872 . 0 0 "[ . 1 . 2]" 1
816 1 66 LEU MD2 1 76 TYR QE 4.710 . 7.620 4.607 4.299 4.895 . 0 0 "[ . 1 . 2]" 1
817 1 66 LEU HG 1 67 GLY H 3.100 . 4.400 3.507 3.404 3.602 . 0 0 "[ . 1 . 2]" 1
818 1 66 LEU HG 1 67 GLY HA2 3.650 . 5.500 4.031 3.892 4.206 . 0 0 "[ . 1 . 2]" 1
819 1 67 GLY H 1 74 TYR QD 4.610 . 7.420 4.919 4.686 5.227 . 0 0 "[ . 1 . 2]" 1
820 1 67 GLY H 1 75 GLY H 3.325 . 4.850 3.826 3.617 4.298 . 0 0 "[ . 1 . 2]" 1
821 1 67 GLY H 1 76 TYR H 3.650 . 5.500 3.966 2.666 4.418 . 0 0 "[ . 1 . 2]" 1
822 1 67 GLY H 1 76 TYR HA 2.825 . 3.850 2.776 2.523 2.990 . 0 0 "[ . 1 . 2]" 1
823 1 67 GLY H 1 77 ILE H 3.155 . 4.510 2.736 2.451 3.220 . 0 0 "[ . 1 . 2]" 1
824 1 67 GLY HA2 1 68 ARG H 2.550 . 3.300 2.281 2.168 2.347 . 0 0 "[ . 1 . 2]" 1
825 1 67 GLY HA2 1 77 ILE MD 3.300 . 4.800 3.365 3.121 3.565 . 0 0 "[ . 1 . 2]" 1
826 1 67 GLY HA3 1 77 ILE MD 3.030 . 4.260 2.444 2.159 2.593 . 0 0 "[ . 1 . 2]" 1
827 1 67 GLY HA3 1 77 ILE MG 3.760 . 5.720 3.210 2.904 3.786 . 0 0 "[ . 1 . 2]" 1
828 1 68 ARG H 1 69 THR H 3.285 . 4.770 4.308 4.254 4.383 . 0 0 "[ . 1 . 2]" 1
829 1 68 ARG H 1 74 TYR QD 4.715 . 7.630 5.387 4.985 5.754 . 0 0 "[ . 1 . 2]" 1
830 1 68 ARG H 1 74 TYR QE 4.715 . 7.630 5.924 5.569 6.320 . 0 0 "[ . 1 . 2]" 1
831 1 68 ARG HA 1 69 THR H 2.440 . 3.080 2.135 2.047 2.206 . 0 0 "[ . 1 . 2]" 1
832 1 68 ARG HA 1 72 GLY H 3.650 . 5.500 5.409 5.150 5.528 0.028 12 0 "[ . 1 . 2]" 1
833 1 68 ARG HA 1 73 SER H 3.220 . 4.640 3.242 3.090 3.388 . 0 0 "[ . 1 . 2]" 1
834 1 68 ARG HA 1 74 TYR H 3.300 . 4.800 4.602 4.447 4.704 . 0 0 "[ . 1 . 2]" 1
835 1 68 ARG HA 1 74 TYR HA 2.490 . 3.180 2.589 2.304 2.810 . 0 0 "[ . 1 . 2]" 1
836 1 68 ARG HA 1 74 TYR HB2 3.615 . 5.430 5.149 4.898 5.311 . 0 0 "[ . 1 . 2]" 1
837 1 68 ARG HA 1 74 TYR HB3 3.650 . 5.500 5.119 4.732 5.423 . 0 0 "[ . 1 . 2]" 1
838 1 68 ARG HA 1 74 TYR QD 4.330 . 6.860 4.404 4.102 4.671 . 0 0 "[ . 1 . 2]" 1
839 1 68 ARG HA 1 74 TYR QE 4.715 . 7.630 5.329 5.096 5.580 . 0 0 "[ . 1 . 2]" 1
840 1 68 ARG HA 1 75 GLY H 2.905 . 4.010 3.401 3.154 3.794 . 0 0 "[ . 1 . 2]" 1
841 1 68 ARG HB2 1 69 THR H 2.735 . 3.670 3.769 3.740 3.800 0.130 4 0 "[ . 1 . 2]" 1
842 1 68 ARG HB2 1 73 SER H 3.285 . 4.770 3.883 3.744 4.131 . 0 0 "[ . 1 . 2]" 1
843 1 68 ARG HB2 1 74 TYR HA 3.040 . 4.280 3.110 2.834 3.426 . 0 0 "[ . 1 . 2]" 1
844 1 68 ARG HB2 1 74 TYR QD 3.940 . 6.080 3.256 2.918 3.601 . 0 0 "[ . 1 . 2]" 1
845 1 68 ARG HB2 1 74 TYR QE 3.605 . 5.410 3.521 3.283 3.903 . 0 0 "[ . 1 . 2]" 1
846 1 68 ARG HB3 1 73 SER H 3.475 . 5.150 4.634 4.545 4.764 . 0 0 "[ . 1 . 2]" 1
847 1 68 ARG HB3 1 74 TYR HA 3.320 . 4.840 4.682 4.443 4.890 0.050 1 0 "[ . 1 . 2]" 1
848 1 68 ARG HB3 1 74 TYR QD 4.280 . 6.760 4.672 4.456 4.976 . 0 0 "[ . 1 . 2]" 1
849 1 68 ARG HB3 1 74 TYR QE 4.255 . 6.710 4.410 4.110 4.765 . 0 0 "[ . 1 . 2]" 1
850 1 68 ARG HD2 1 69 THR H 3.325 . 4.850 4.640 4.350 4.927 0.077 6 0 "[ . 1 . 2]" 1
851 1 68 ARG HD2 1 72 GLY HA2 3.455 . 5.110 2.438 1.903 3.615 . 0 0 "[ . 1 . 2]" 1
852 1 68 ARG HD2 1 74 TYR QD 4.370 . 6.940 4.356 3.772 4.813 . 0 0 "[ . 1 . 2]" 1
853 1 68 ARG HD2 1 74 TYR QE 3.830 . 5.860 3.240 2.823 3.722 . 0 0 "[ . 1 . 2]" 1
854 1 68 ARG HD3 1 69 THR H 3.650 . 5.500 4.880 4.505 5.113 . 0 0 "[ . 1 . 2]" 1
855 1 68 ARG HD3 1 74 TYR QD 4.330 . 6.860 4.221 3.766 5.301 . 0 0 "[ . 1 . 2]" 1
856 1 68 ARG HD3 1 74 TYR QE 3.915 . 6.030 3.191 2.632 4.332 . 0 0 "[ . 1 . 2]" 1
857 1 68 ARG HG3 1 69 THR H 2.590 . 3.380 2.781 2.673 2.902 . 0 0 "[ . 1 . 2]" 1
858 1 68 ARG HG3 1 72 GLY H 3.390 . 4.980 3.778 3.499 3.982 . 0 0 "[ . 1 . 2]" 1
859 1 68 ARG HG3 1 72 GLY HA3 2.815 . 3.830 3.903 3.874 3.946 0.116 20 0 "[ . 1 . 2]" 1
860 1 68 ARG HG3 1 73 SER H 2.925 . 4.050 1.841 1.752 2.171 0.048 18 0 "[ . 1 . 2]" 1
861 1 68 ARG HG3 1 73 SER HB2 3.545 . 5.290 4.371 4.182 4.649 . 0 0 "[ . 1 . 2]" 1
862 1 68 ARG HG3 1 74 TYR H 3.100 . 4.400 4.452 4.403 4.524 0.124 8 0 "[ . 1 . 2]" 1
863 1 69 THR H 1 70 ALA H 3.650 . 5.500 4.517 4.433 4.594 . 0 0 "[ . 1 . 2]" 1
864 1 69 THR H 1 72 GLY H 3.220 . 4.640 3.627 3.366 3.806 . 0 0 "[ . 1 . 2]" 1
865 1 69 THR H 1 72 GLY HA2 3.320 . 4.840 3.825 3.768 3.905 . 0 0 "[ . 1 . 2]" 1
866 1 69 THR H 1 72 GLY HA3 3.560 . 5.320 5.361 5.324 5.407 0.087 11 0 "[ . 1 . 2]" 1
867 1 69 THR H 1 73 SER H 2.770 . 3.740 2.484 2.303 2.626 . 0 0 "[ . 1 . 2]" 1
868 1 69 THR H 1 73 SER HB2 3.180 . 4.560 2.916 2.633 3.072 . 0 0 "[ . 1 . 2]" 1
869 1 69 THR H 1 73 SER HB3 3.180 . 4.560 4.554 4.289 4.614 0.054 9 0 "[ . 1 . 2]" 1
870 1 69 THR H 1 74 TYR HA 3.490 . 5.180 4.257 3.839 4.484 . 0 0 "[ . 1 . 2]" 1
871 1 69 THR H 1 74 TYR QE 4.715 . 7.630 6.041 5.812 6.339 . 0 0 "[ . 1 . 2]" 1
872 1 69 THR HA 1 70 ALA H 2.410 . 3.020 2.450 2.398 2.530 . 0 0 "[ . 1 . 2]" 1
873 1 69 THR HA 1 70 ALA HA 3.155 . 4.510 4.287 4.159 4.362 . 0 0 "[ . 1 . 2]" 1
874 1 69 THR HA 1 71 ARG H 3.085 . 4.370 4.400 4.302 4.489 0.119 5 0 "[ . 1 . 2]" 1
875 1 69 THR HB 1 71 ARG H 3.495 . 5.190 3.299 2.725 4.709 . 0 0 "[ . 1 . 2]" 1
876 1 69 THR HB 1 72 GLY H 3.485 . 5.170 3.722 3.139 5.062 . 0 0 "[ . 1 . 2]" 1
877 1 69 THR HB 1 73 SER HB2 3.815 . 5.830 3.272 2.235 4.550 . 0 0 "[ . 1 . 2]" 1
878 1 70 ALA H 1 71 ARG H 3.500 . 5.200 2.916 2.703 3.532 . 0 0 "[ . 1 . 2]" 1
879 1 70 ALA H 1 71 ARG HA 3.650 . 5.500 5.451 5.326 5.583 0.083 20 0 "[ . 1 . 2]" 1
880 1 70 ALA H 1 71 ARG HB3 3.535 . 5.270 5.184 4.875 5.328 0.058 12 0 "[ . 1 . 2]" 1
881 1 70 ALA H 1 72 GLY H 3.565 . 5.330 4.256 4.081 4.677 . 0 0 "[ . 1 . 2]" 1
882 1 70 ALA MB 1 71 ARG H 3.630 . 5.460 2.829 2.620 3.563 . 0 0 "[ . 1 . 2]" 1
883 1 70 ALA MB 1 71 ARG HA 3.615 . 5.430 3.963 3.797 4.381 . 0 0 "[ . 1 . 2]" 1
884 1 70 ALA MB 1 71 ARG HB3 3.915 . 6.030 4.280 3.764 4.952 . 0 0 "[ . 1 . 2]" 1
885 1 70 ALA MB 1 72 GLY H 4.040 . 6.280 4.397 4.234 4.929 . 0 0 "[ . 1 . 2]" 1
886 1 71 ARG H 1 72 GLY H 3.075 . 4.350 2.478 1.725 2.777 0.075 14 0 "[ . 1 . 2]" 1
887 1 71 ARG H 1 72 GLY HA2 3.650 . 5.500 4.707 3.583 5.004 . 0 0 "[ . 1 . 2]" 1
888 1 71 ARG H 1 73 SER H 3.650 . 5.500 5.147 4.467 5.513 0.013 12 0 "[ . 1 . 2]" 1
889 1 71 ARG HB3 1 72 GLY H 3.270 . 4.740 3.898 2.448 4.443 . 0 0 "[ . 1 . 2]" 1
890 1 71 ARG HD2 1 72 GLY H 4.010 . 6.220 4.894 3.674 5.460 . 0 0 "[ . 1 . 2]" 1
891 1 71 ARG HD2 1 73 SER H 4.010 . 6.220 5.897 4.786 6.317 0.097 10 0 "[ . 1 . 2]" 1
892 1 72 GLY H 1 73 SER H 2.865 . 3.930 3.128 2.633 3.300 . 0 0 "[ . 1 . 2]" 1
893 1 72 GLY H 1 73 SER HB2 4.010 . 6.220 4.509 4.111 4.821 . 0 0 "[ . 1 . 2]" 1
894 1 72 GLY H 1 74 TYR QE 4.715 . 7.630 5.968 5.466 6.406 . 0 0 "[ . 1 . 2]" 1
895 1 72 GLY HA2 1 74 TYR QE 4.400 . 7.000 3.799 3.248 4.277 . 0 0 "[ . 1 . 2]" 1
896 1 72 GLY HA3 1 74 TYR QE 4.395 . 6.990 4.054 3.389 4.537 . 0 0 "[ . 1 . 2]" 1
897 1 73 SER H 1 74 TYR H 2.845 . 3.890 3.599 3.513 3.729 . 0 0 "[ . 1 . 2]" 1
898 1 73 SER H 1 74 TYR HA 3.650 . 5.500 3.900 3.778 4.108 . 0 0 "[ . 1 . 2]" 1
899 1 73 SER H 1 74 TYR HB2 3.155 . 4.510 4.773 4.726 4.839 0.329 3 0 "[ . 1 . 2]" 1
900 1 73 SER HA 1 74 TYR QD 4.065 . 6.330 3.360 3.066 3.672 . 0 0 "[ . 1 . 2]" 1
901 1 73 SER HA 1 75 GLY H 3.650 . 5.500 5.053 4.524 5.436 . 0 0 "[ . 1 . 2]" 1
902 1 73 SER HB2 1 74 TYR H 2.780 . 3.760 3.872 3.832 3.915 0.155 2 0 "[ . 1 . 2]" 1
903 1 73 SER HB3 1 74 TYR H 2.780 . 3.760 3.276 3.104 3.487 . 0 0 "[ . 1 . 2]" 1
904 1 74 TYR H 1 75 GLY H 2.850 . 3.900 3.715 3.142 3.984 0.084 10 0 "[ . 1 . 2]" 1
905 1 74 TYR HA 1 75 GLY H 2.475 . 3.150 2.229 2.116 2.459 . 0 0 "[ . 1 . 2]" 1
906 1 74 TYR HB2 1 75 GLY H 3.220 . 4.640 4.272 4.145 4.400 . 0 0 "[ . 1 . 2]" 1
907 1 74 TYR HB2 1 76 TYR H 3.335 . 4.870 4.995 4.890 5.070 0.200 6 0 "[ . 1 . 2]" 1
908 1 74 TYR HB2 1 76 TYR QE 4.550 . 7.300 4.627 4.230 5.308 . 0 0 "[ . 1 . 2]" 1
909 1 74 TYR HB3 1 75 GLY H 3.150 . 4.500 3.993 3.816 4.229 . 0 0 "[ . 1 . 2]" 1
910 1 74 TYR HB3 1 76 TYR H 2.920 . 4.040 3.994 3.712 4.099 0.059 15 0 "[ . 1 . 2]" 1
911 1 74 TYR HB3 1 76 TYR HA 3.650 . 5.500 5.343 5.153 5.514 0.014 17 0 "[ . 1 . 2]" 1
912 1 74 TYR HB3 1 76 TYR QD 4.130 . 6.460 3.998 3.391 4.482 . 0 0 "[ . 1 . 2]" 1
913 1 74 TYR HB3 1 76 TYR QE 3.610 . 5.420 3.959 3.414 4.482 . 0 0 "[ . 1 . 2]" 1
914 1 75 GLY H 1 76 TYR H 3.215 . 4.630 3.472 2.394 3.790 . 0 0 "[ . 1 . 2]" 1
915 1 75 GLY H 1 76 TYR QD 4.550 . 7.300 5.454 4.905 5.756 . 0 0 "[ . 1 . 2]" 1
916 1 75 GLY H 1 77 ILE MG 3.725 . 5.650 4.415 4.311 4.557 . 0 0 "[ . 1 . 2]" 1
917 1 75 GLY HA2 1 76 TYR H 2.595 . 3.390 2.178 1.914 3.126 . 0 0 "[ . 1 . 2]" 1
918 1 75 GLY HA2 1 76 TYR QE 3.920 . 6.040 3.975 3.740 4.345 . 0 0 "[ . 1 . 2]" 1
919 1 75 GLY HA2 1 77 ILE H 3.650 . 5.500 5.345 5.141 5.743 0.243 12 0 "[ . 1 . 2]" 1
920 1 75 GLY HA3 1 76 TYR H 2.585 . 3.370 3.250 3.186 3.348 . 0 0 "[ . 1 . 2]" 1
921 1 75 GLY HA3 1 76 TYR QE 4.510 . 7.220 5.366 5.037 5.777 . 0 0 "[ . 1 . 2]" 1
922 1 75 GLY HA3 1 77 ILE H 3.650 . 5.500 5.053 4.900 5.366 . 0 0 "[ . 1 . 2]" 1
923 1 76 TYR H 1 77 ILE HA 3.650 . 5.500 5.387 5.107 5.514 0.014 19 0 "[ . 1 . 2]" 1
924 1 76 TYR H 1 77 ILE MG 4.040 . 6.280 4.942 4.345 5.072 . 0 0 "[ . 1 . 2]" 1
925 1 76 TYR HA 1 77 ILE H 2.440 . 3.080 2.060 1.914 2.141 . 0 0 "[ . 1 . 2]" 1
926 1 76 TYR HA 1 77 ILE MD 3.895 . 5.990 4.602 2.808 4.844 . 0 0 "[ . 1 . 2]" 1
927 1 76 TYR HA 1 77 ILE MG 3.900 . 6.000 4.212 4.068 4.312 . 0 0 "[ . 1 . 2]" 1
928 1 76 TYR HB2 1 77 ILE H 3.160 . 4.520 4.045 3.931 4.128 . 0 0 "[ . 1 . 2]" 1
929 1 76 TYR HB3 1 77 ILE H 3.110 . 4.420 4.037 3.909 4.173 . 0 0 "[ . 1 . 2]" 1
930 1 77 ILE H 1 79 THR H 3.595 . 5.390 5.548 5.490 5.631 0.241 12 0 "[ . 1 . 2]" 1
931 1 77 ILE H 1 82 VAL MG2 4.160 . 6.520 5.284 5.024 5.365 . 0 0 "[ . 1 . 2]" 1
932 1 77 ILE HA 1 78 LYS H 2.505 . 3.210 2.101 1.955 2.214 . 0 0 "[ . 1 . 2]" 1
933 1 77 ILE HA 1 78 LYS HG2 3.200 . 4.600 3.993 3.574 4.292 . 0 0 "[ . 1 . 2]" 1
934 1 77 ILE HA 1 82 VAL MG2 4.160 . 6.520 5.215 5.055 5.294 . 0 0 "[ . 1 . 2]" 1
935 1 77 ILE HB 1 78 LYS H 2.525 . 3.250 2.863 2.604 2.962 . 0 0 "[ . 1 . 2]" 1
936 1 77 ILE HB 1 79 THR H 2.700 . 3.600 3.808 3.733 3.880 0.280 11 0 "[ . 1 . 2]" 1
937 1 77 ILE HB 1 82 VAL MG1 3.245 . 4.690 3.460 3.206 3.708 . 0 0 "[ . 1 . 2]" 1
938 1 77 ILE HB 1 82 VAL MG2 2.945 . 4.090 3.104 2.933 3.183 . 0 0 "[ . 1 . 2]" 1
939 1 77 ILE MD 1 77 ILE MG 3.250 . 4.700 1.884 1.830 1.974 . 0 0 "[ . 1 . 2]" 1
940 1 77 ILE MD 1 78 LYS H 3.820 . 5.840 4.903 4.872 4.935 . 0 0 "[ . 1 . 2]" 1
941 1 77 ILE MG 1 78 LYS H 3.405 . 5.010 3.305 3.110 3.421 . 0 0 "[ . 1 . 2]" 1
942 1 77 ILE MG 1 81 ALA H 3.750 . 5.700 4.705 4.650 4.751 . 0 0 "[ . 1 . 2]" 1
943 1 77 ILE MG 1 81 ALA MB 3.790 . 5.780 3.049 2.885 3.214 . 0 0 "[ . 1 . 2]" 1
944 1 77 ILE MG 1 82 VAL H 3.975 . 6.150 4.805 4.652 4.930 . 0 0 "[ . 1 . 2]" 1
945 1 77 ILE MG 1 82 VAL MG1 3.340 . 4.880 2.317 2.053 2.538 . 0 0 "[ . 1 . 2]" 1
946 1 77 ILE MG 1 82 VAL MG2 3.390 . 4.980 3.119 3.025 3.171 . 0 0 "[ . 1 . 2]" 1
947 1 78 LYS H 1 79 THR H 3.330 . 4.860 3.928 3.890 3.960 . 0 0 "[ . 1 . 2]" 1
948 1 78 LYS H 1 79 THR HA 3.650 . 5.500 5.353 5.214 5.457 . 0 0 "[ . 1 . 2]" 1
949 1 78 LYS H 1 80 THR H 3.650 . 5.500 5.202 4.798 5.373 . 0 0 "[ . 1 . 2]" 1
950 1 78 LYS H 1 80 THR MG 3.730 . 5.660 4.663 4.586 4.693 . 0 0 "[ . 1 . 2]" 1
951 1 78 LYS H 1 81 ALA H 3.190 . 4.580 4.454 4.316 4.601 0.021 20 0 "[ . 1 . 2]" 1
952 1 78 LYS HA 1 79 THR H 2.525 . 3.250 1.789 1.747 1.898 0.053 12 0 "[ . 1 . 2]" 1
953 1 78 LYS HA 1 79 THR MG 3.860 . 5.920 3.131 2.975 3.296 . 0 0 "[ . 1 . 2]" 1
954 1 78 LYS HA 1 80 THR MG 3.485 . 5.170 4.085 3.765 4.155 . 0 0 "[ . 1 . 2]" 1
955 1 78 LYS HB2 1 80 THR H 2.860 . 3.920 3.360 2.963 3.575 . 0 0 "[ . 1 . 2]" 1
956 1 78 LYS HD2 1 80 THR MG 3.955 . 6.110 2.430 1.961 2.820 . 0 0 "[ . 1 . 2]" 1
957 1 78 LYS HD3 1 80 THR MG 3.955 . 6.110 2.940 1.996 3.768 . 0 0 "[ . 1 . 2]" 1
958 1 78 LYS HE2 1 81 ALA MB 4.520 . 7.240 3.490 2.066 5.278 . 0 0 "[ . 1 . 2]" 1
959 1 78 LYS HG3 1 79 THR H 2.805 . 3.810 4.006 3.972 4.056 0.246 4 0 "[ . 1 . 2]" 1
960 1 78 LYS HG3 1 80 THR H 3.020 . 4.240 3.068 2.737 3.276 . 0 0 "[ . 1 . 2]" 1
961 1 78 LYS HG3 1 80 THR MG 2.810 . 3.820 2.138 1.886 2.337 . 0 0 "[ . 1 . 2]" 1
962 1 78 LYS HG3 1 81 ALA H 3.475 . 5.150 2.617 2.314 3.094 . 0 0 "[ . 1 . 2]" 1
963 1 78 LYS HG3 1 81 ALA MB 3.325 . 4.850 2.586 2.232 3.060 . 0 0 "[ . 1 . 2]" 1
964 1 79 THR H 1 80 THR H 2.835 . 3.870 3.113 2.990 3.190 . 0 0 "[ . 1 . 2]" 1
965 1 79 THR H 1 80 THR MG 3.575 . 5.350 3.991 3.581 4.103 . 0 0 "[ . 1 . 2]" 1
966 1 79 THR H 1 82 VAL H 3.650 . 5.500 5.551 5.516 5.579 0.079 7 0 "[ . 1 . 2]" 1
967 1 79 THR HA 1 81 ALA H 2.970 . 4.140 3.848 3.674 4.039 . 0 0 "[ . 1 . 2]" 1
968 1 79 THR HA 1 82 VAL H 3.445 . 5.090 3.874 3.666 3.983 . 0 0 "[ . 1 . 2]" 1
969 1 79 THR HA 1 82 VAL MG1 4.160 . 6.520 4.776 4.466 4.994 . 0 0 "[ . 1 . 2]" 1
970 1 79 THR HA 1 82 VAL MG2 3.280 . 4.760 2.725 2.458 2.929 . 0 0 "[ . 1 . 2]" 1
971 1 79 THR HB 1 80 THR H 3.280 . 4.760 3.710 3.579 3.878 . 0 0 "[ . 1 . 2]" 1
972 1 79 THR HB 1 80 THR MG 4.095 . 6.390 5.077 4.401 5.222 . 0 0 "[ . 1 . 2]" 1
973 1 79 THR HB 1 81 ALA H 3.650 . 5.500 5.277 5.089 5.497 . 0 0 "[ . 1 . 2]" 1
974 1 79 THR HB 1 82 VAL H 3.650 . 5.500 5.309 5.053 5.464 . 0 0 "[ . 1 . 2]" 1
975 1 79 THR HB 1 82 VAL MG2 3.735 . 5.670 4.302 3.921 4.491 . 0 0 "[ . 1 . 2]" 1
976 1 79 THR MG 1 80 THR H 3.755 . 5.710 3.749 3.661 3.847 . 0 0 "[ . 1 . 2]" 1
977 1 79 THR MG 1 80 THR MG 4.450 . 7.100 4.586 3.977 4.742 . 0 0 "[ . 1 . 2]" 1
978 1 79 THR MG 1 81 ALA H 4.160 . 6.520 5.120 5.051 5.249 . 0 0 "[ . 1 . 2]" 1
979 1 79 THR MG 1 82 VAL MG2 4.670 . 7.540 4.157 3.977 4.391 . 0 0 "[ . 1 . 2]" 1
980 1 80 THR H 1 81 ALA H 2.565 . 3.330 2.751 2.647 2.819 . 0 0 "[ . 1 . 2]" 1
981 1 80 THR H 1 81 ALA MB 3.570 . 5.340 4.327 4.200 4.368 . 0 0 "[ . 1 . 2]" 1
982 1 80 THR H 1 82 VAL H 3.125 . 4.450 4.280 4.142 4.371 . 0 0 "[ . 1 . 2]" 1
983 1 80 THR H 1 82 VAL MG2 4.160 . 6.520 4.732 4.468 4.953 . 0 0 "[ . 1 . 2]" 1
984 1 80 THR HA 1 81 ALA MB 3.875 . 5.950 4.954 4.902 4.978 . 0 0 "[ . 1 . 2]" 1
985 1 80 THR HA 1 82 VAL H 2.950 . 4.100 3.763 3.602 3.933 . 0 0 "[ . 1 . 2]" 1
986 1 80 THR MG 1 81 ALA H 3.475 . 5.150 2.817 2.541 3.241 . 0 0 "[ . 1 . 2]" 1
987 1 80 THR MG 1 81 ALA MB 4.380 . 6.960 3.176 2.907 4.126 . 0 0 "[ . 1 . 2]" 1
988 1 80 THR MG 1 82 VAL H 4.090 . 6.380 4.540 4.395 4.869 . 0 0 "[ . 1 . 2]" 1
989 1 81 ALA H 1 82 VAL H 2.435 . 3.070 2.322 2.162 2.422 . 0 0 "[ . 1 . 2]" 1
990 1 81 ALA H 1 82 VAL HA 3.395 . 4.990 4.952 4.859 5.033 0.043 20 0 "[ . 1 . 2]" 1
991 1 81 ALA H 1 82 VAL MG1 3.605 . 5.410 4.104 3.941 4.277 . 0 0 "[ . 1 . 2]" 1
992 1 81 ALA H 1 82 VAL MG2 3.310 . 4.820 3.470 3.302 3.631 . 0 0 "[ . 1 . 2]" 1
993 1 81 ALA MB 1 82 VAL H 3.145 . 4.490 3.179 3.078 3.294 . 0 0 "[ . 1 . 2]" 1
994 1 81 ALA MB 1 82 VAL HA 3.920 . 6.040 4.194 4.135 4.242 . 0 0 "[ . 1 . 2]" 1
995 1 81 ALA MB 1 82 VAL MG1 3.705 . 5.610 2.874 2.678 3.009 . 0 0 "[ . 1 . 2]" 1
996 1 82 VAL H 1 83 GLU H 3.150 . 4.500 4.353 4.309 4.377 . 0 0 "[ . 1 . 2]" 1
997 1 82 VAL H 1 83 GLU HA 3.380 . 4.960 4.842 4.737 4.940 . 0 0 "[ . 1 . 2]" 1
998 1 82 VAL H 1 83 GLU HG2 3.650 . 5.500 5.454 5.175 5.542 0.042 16 0 "[ . 1 . 2]" 1
999 1 82 VAL H 1 83 GLU HG3 3.650 . 5.500 4.889 4.530 5.371 . 0 0 "[ . 1 . 2]" 1
1000 1 82 VAL HA 1 83 GLU H 2.355 . 2.910 2.263 2.152 2.315 . 0 0 "[ . 1 . 2]" 1
1001 1 82 VAL HA 1 83 GLU HB2 3.090 . 4.380 4.395 4.368 4.419 0.039 6 0 "[ . 1 . 2]" 1
1002 1 82 VAL HB 1 83 GLU H 2.325 . 2.850 2.251 2.112 2.521 . 0 0 "[ . 1 . 2]" 1
1003 1 82 VAL MG1 1 83 GLU H 3.380 . 4.960 3.456 3.350 3.555 . 0 0 "[ . 1 . 2]" 1
1004 1 82 VAL MG2 1 83 GLU H 3.325 . 4.850 3.418 3.267 3.651 . 0 0 "[ . 1 . 2]" 1
1005 1 82 VAL MG2 1 84 ILE MG 3.615 . 5.430 2.878 2.589 3.236 . 0 0 "[ . 1 . 2]" 1
1006 1 83 GLU H 1 84 ILE H 3.010 . 4.220 4.043 3.914 4.161 . 0 0 "[ . 1 . 2]" 1
1007 1 83 GLU HA 1 84 ILE H 2.365 . 2.930 2.190 2.150 2.245 . 0 0 "[ . 1 . 2]" 1
1008 1 83 GLU HB2 1 84 ILE H 3.225 . 4.650 4.293 4.191 4.367 . 0 0 "[ . 1 . 2]" 1
1009 1 83 GLU HG2 1 84 ILE H 3.225 . 4.650 4.580 4.291 4.691 0.041 7 0 "[ . 1 . 2]" 1
1010 1 84 ILE H 1 86 TYR QE 4.475 . 7.150 4.191 2.944 5.444 . 0 0 "[ . 1 . 2]" 1
1011 1 84 ILE HA 1 85 ASP H 2.460 . 3.120 2.304 2.136 2.481 . 0 0 "[ . 1 . 2]" 1
1012 1 84 ILE HB 1 85 ASP H 2.835 . 3.870 2.421 2.172 3.054 . 0 0 "[ . 1 . 2]" 1
1013 1 84 ILE HB 1 86 TYR QD 4.605 . 7.410 5.505 4.516 5.983 . 0 0 "[ . 1 . 2]" 1
1014 1 84 ILE HB 1 86 TYR QE 4.460 . 7.120 5.628 5.240 6.417 . 0 0 "[ . 1 . 2]" 1
1015 1 84 ILE MD 1 85 ASP H 3.195 . 4.590 3.665 3.311 3.787 . 0 0 "[ . 1 . 2]" 1
1016 1 84 ILE MD 1 86 TYR H 3.720 . 5.640 4.332 3.262 4.672 . 0 0 "[ . 1 . 2]" 1
1017 1 84 ILE MD 1 86 TYR HA 3.610 . 5.420 3.164 2.453 4.337 . 0 0 "[ . 1 . 2]" 1
1018 1 84 ILE MD 1 86 TYR HB2 4.520 . 7.240 5.000 3.651 5.534 . 0 0 "[ . 1 . 2]" 1
1019 1 84 ILE MD 1 86 TYR QD 4.380 . 6.960 3.028 2.572 3.587 . 0 0 "[ . 1 . 2]" 1
1020 1 84 ILE MD 1 86 TYR QE 4.425 . 7.050 3.152 2.655 4.343 . 0 0 "[ . 1 . 2]" 1
1021 1 84 ILE HG12 1 84 ILE MG 3.055 . 4.310 2.255 2.139 2.323 . 0 0 "[ . 1 . 2]" 1
1022 1 84 ILE HG13 1 85 ASP H 3.145 . 4.490 3.694 3.335 4.551 0.061 3 0 "[ . 1 . 2]" 1
1023 1 84 ILE HG13 1 86 TYR QD 4.425 . 7.050 3.609 2.330 5.097 . 0 0 "[ . 1 . 2]" 1
1024 1 84 ILE HG13 1 86 TYR QE 4.435 . 7.070 3.535 2.925 4.349 . 0 0 "[ . 1 . 2]" 1
1025 1 84 ILE MG 1 86 TYR QE 4.810 . 7.820 4.902 4.084 5.940 . 0 0 "[ . 1 . 2]" 1
1026 1 85 ASP H 1 86 TYR QD 4.710 . 7.620 5.536 4.533 5.966 . 0 0 "[ . 1 . 2]" 1
1027 1 85 ASP HA 1 86 TYR H 2.365 . 2.930 2.093 1.964 2.271 . 0 0 "[ . 1 . 2]" 1
1028 1 85 ASP HB2 1 86 TYR H 3.080 . 4.360 4.303 4.032 4.405 0.045 9 0 "[ . 1 . 2]" 1
1029 1 85 ASP HB3 1 86 TYR H 3.080 . 4.360 4.132 3.130 4.384 0.024 2 0 "[ . 1 . 2]" 1
1030 1 86 TYR HB2 1 87 ASP H 3.010 . 4.220 3.398 2.156 4.317 0.097 16 0 "[ . 1 . 2]" 1
1031 1 86 TYR HB2 1 87 ASP HB2 4.160 . 6.520 5.488 3.877 6.649 0.129 8 0 "[ . 1 . 2]" 1
1032 1 86 TYR HB3 1 87 ASP H 3.010 . 4.220 3.198 2.216 4.262 0.042 6 0 "[ . 1 . 2]" 1
1033 1 86 TYR QD 1 87 ASP H 4.330 . 6.860 3.923 2.935 4.645 . 0 0 "[ . 1 . 2]" 1
1034 1 86 TYR QE 1 87 ASP H 4.715 . 7.630 6.006 4.605 6.635 . 0 0 "[ . 1 . 2]" 1
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