NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425912 |
2gto   |
6539 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gto
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 817
_Distance_constraint_stats_list.Viol_count 1209
_Distance_constraint_stats_list.Viol_total 2055.861
_Distance_constraint_stats_list.Viol_max 0.654
_Distance_constraint_stats_list.Viol_rms 0.0362
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0850
_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 0.780 0.108 10 0 "[ . 1 . 2]"
1 13 GLN 0.024 0.024 10 0 "[ . 1 . 2]"
1 14 GLU 1.497 0.154 18 0 "[ . 1 . 2]"
1 15 ILE 3.186 0.274 3 0 "[ . 1 . 2]"
1 16 LYS 2.653 0.154 18 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 1.382 0.093 18 0 "[ . 1 . 2]"
1 19 PHE 2.204 0.098 7 0 "[ . 1 . 2]"
1 20 LYS 0.035 0.016 5 0 "[ . 1 . 2]"
1 21 LEU 0.992 0.088 7 0 "[ . 1 . 2]"
1 22 THR 0.062 0.050 4 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 0.575 0.273 9 0 "[ . 1 . 2]"
1 26 GLN 0.684 0.273 9 0 "[ . 1 . 2]"
1 27 VAL 0.197 0.070 10 0 "[ . 1 . 2]"
1 28 ILE 1.873 0.313 2 0 "[ . 1 . 2]"
1 29 HIS 7.586 0.514 15 1 "[ . 1 + 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 6.107 0.205 13 0 "[ . 1 . 2]"
1 32 LYS 2.719 0.176 16 0 "[ . 1 . 2]"
1 33 ALA 7.820 0.366 18 0 "[ . 1 . 2]"
1 34 CYS 0.051 0.018 20 0 "[ . 1 . 2]"
1 35 CYS 0.382 0.061 10 0 "[ . 1 . 2]"
1 36 ASP 1.838 0.175 5 0 "[ . 1 . 2]"
1 37 VAL 8.462 0.654 7 2 "[ . + 1 . - 2]"
1 38 LYS 2.191 0.127 2 0 "[ . 1 . 2]"
1 39 GLY 3.711 0.127 2 0 "[ . 1 . 2]"
1 40 GLY 1.334 0.089 14 0 "[ . 1 . 2]"
1 41 LYS 0.095 0.089 12 0 "[ . 1 . 2]"
1 42 ASN 0.310 0.199 1 0 "[ . 1 . 2]"
1 43 GLU 0.245 0.089 12 0 "[ . 1 . 2]"
1 44 LEU 5.428 0.201 12 0 "[ . 1 . 2]"
1 45 SER 3.360 0.201 12 0 "[ . 1 . 2]"
1 46 PHE 18.008 0.654 7 12 "[** ** + ** -*** * 2]"
1 47 LYS 2.430 0.177 6 0 "[ . 1 . 2]"
1 48 GLN 10.767 0.394 5 0 "[ . 1 . 2]"
1 49 GLY 2.059 0.176 15 0 "[ . 1 . 2]"
1 50 GLU 10.028 0.394 5 0 "[ . 1 . 2]"
1 51 GLN 5.070 0.254 9 0 "[ . 1 . 2]"
1 52 ILE 15.355 0.469 16 0 "[ . 1 . 2]"
1 53 GLU 0.558 0.107 8 0 "[ . 1 . 2]"
1 54 ILE 9.742 0.514 15 1 "[ . 1 + 2]"
1 55 ILE 0.941 0.125 11 0 "[ . 1 . 2]"
1 56 ARG 0.789 0.186 18 0 "[ . 1 . 2]"
1 57 ILE 1.053 0.099 14 0 "[ . 1 . 2]"
1 58 THR 0.789 0.186 18 0 "[ . 1 . 2]"
1 59 ASP 0.075 0.034 9 0 "[ . 1 . 2]"
1 60 ASN 0.075 0.034 9 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLY 1.033 0.125 13 0 "[ . 1 . 2]"
1 64 LYS 3.388 0.130 8 0 "[ . 1 . 2]"
1 65 TRP 3.286 0.152 20 0 "[ . 1 . 2]"
1 66 LEU 0.012 0.012 13 0 "[ . 1 . 2]"
1 67 GLY 0.884 0.103 20 0 "[ . 1 . 2]"
1 68 ARG 2.402 0.107 8 0 "[ . 1 . 2]"
1 69 THR 0.577 0.080 6 0 "[ . 1 . 2]"
1 70 ALA 0.279 0.030 2 0 "[ . 1 . 2]"
1 71 ARG 0.031 0.028 18 0 "[ . 1 . 2]"
1 72 GLY 0.054 0.026 1 0 "[ . 1 . 2]"
1 73 SER 1.846 0.115 10 0 "[ . 1 . 2]"
1 74 TYR 2.540 0.274 3 0 "[ . 1 . 2]"
1 75 GLY 3.873 0.135 20 0 "[ . 1 . 2]"
1 76 TYR 1.397 0.199 1 0 "[ . 1 . 2]"
1 77 ILE 9.170 0.638 4 10 "[** +* ** -*** 2]"
1 78 LYS 1.041 0.130 8 0 "[ . 1 . 2]"
1 79 THR 1.384 0.068 1 0 "[ . 1 . 2]"
1 80 THR 1.027 0.074 12 0 "[ . 1 . 2]"
1 81 ALA 2.419 0.150 15 0 "[ . 1 . 2]"
1 82 VAL 14.245 0.469 16 0 "[ . 1 . 2]"
1 83 GLU 0.959 0.086 5 0 "[ . 1 . 2]"
1 84 ILE 4.497 0.205 13 0 "[ . 1 . 2]"
1 85 ASP 1.773 0.195 3 0 "[ . 1 . 2]"
1 86 TYR 1.781 0.195 3 0 "[ . 1 . 2]"
1 87 ASP 0.091 0.030 16 0 "[ . 1 . 2]"
1 88 SER 0.074 0.030 16 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 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 15 ILE MD 3.440 . 5.080 2.979 2.543 3.492 . 0 0 "[ . 1 . 2]" 1
2 1 12 GLU HA 1 15 ILE HG12 2.535 . 3.270 1.983 1.774 2.275 0.026 8 0 "[ . 1 . 2]" 1
3 1 12 GLU HA 1 15 ILE MG 3.120 . 4.440 2.919 2.212 3.192 . 0 0 "[ . 1 . 2]" 1
4 1 12 GLU HB2 1 15 ILE MD 4.145 . 6.490 2.939 2.189 4.686 . 0 0 "[ . 1 . 2]" 1
5 1 12 GLU HB2 1 15 ILE HG12 2.835 . 3.870 3.534 3.272 3.978 0.108 10 0 "[ . 1 . 2]" 1
6 1 12 GLU HB2 1 15 ILE HG13 3.325 . 4.850 3.444 2.991 4.595 . 0 0 "[ . 1 . 2]" 1
7 1 12 GLU HB2 1 15 ILE MG 3.880 . 5.960 4.877 4.700 4.957 . 0 0 "[ . 1 . 2]" 1
8 1 12 GLU HB3 1 15 ILE HG12 2.835 . 3.870 3.353 2.472 3.642 . 0 0 "[ . 1 . 2]" 1
9 1 12 GLU HG2 1 15 ILE HG12 3.650 . 5.500 5.310 3.909 5.561 0.061 14 0 "[ . 1 . 2]" 1
10 1 12 GLU HG2 1 15 ILE HG13 4.010 . 6.220 5.275 4.541 6.085 . 0 0 "[ . 1 . 2]" 1
11 1 12 GLU HG3 1 15 ILE HG12 3.650 . 5.500 5.229 2.827 5.537 0.037 8 0 "[ . 1 . 2]" 1
12 1 13 GLN HB2 1 14 GLU H 2.930 . 4.060 3.459 2.494 4.084 0.024 10 0 "[ . 1 . 2]" 1
13 1 13 GLN HB3 1 14 GLU H 2.930 . 4.060 3.019 2.367 4.033 . 0 0 "[ . 1 . 2]" 1
14 1 14 GLU H 1 15 ILE H 2.255 . 2.710 2.540 2.256 2.715 0.005 13 0 "[ . 1 . 2]" 1
15 1 14 GLU HA 1 16 LYS H 2.885 . 3.970 4.036 3.983 4.124 0.154 18 0 "[ . 1 . 2]" 1
16 1 14 GLU HB3 1 15 ILE H 3.280 . 4.760 2.895 2.244 4.114 . 0 0 "[ . 1 . 2]" 1
17 1 14 GLU HB3 1 15 ILE HA 3.485 . 5.170 4.242 3.862 5.316 0.146 5 0 "[ . 1 . 2]" 1
18 1 14 GLU HB3 1 15 ILE MG 4.520 . 7.240 3.519 2.849 4.822 . 0 0 "[ . 1 . 2]" 1
19 1 15 ILE H 1 16 LYS H 2.295 . 2.790 2.662 2.485 2.819 0.029 10 0 "[ . 1 . 2]" 1
20 1 15 ILE HA 1 18 LYS HB2 2.820 . 3.840 3.225 2.434 3.843 0.003 2 0 "[ . 1 . 2]" 1
21 1 15 ILE HA 1 18 LYS HB3 2.455 . 3.110 2.129 1.868 2.635 . 0 0 "[ . 1 . 2]" 1
22 1 15 ILE HA 1 18 LYS HE2 3.800 . 5.800 4.626 2.450 5.791 . 0 0 "[ . 1 . 2]" 1
23 1 15 ILE HA 1 18 LYS HG2 3.390 . 4.980 4.251 3.811 4.844 . 0 0 "[ . 1 . 2]" 1
24 1 15 ILE HA 1 19 PHE QD 3.905 . 6.010 2.867 2.150 3.740 . 0 0 "[ . 1 . 2]" 1
25 1 15 ILE HA 1 19 PHE QE 4.020 . 6.240 3.368 2.944 4.005 . 0 0 "[ . 1 . 2]" 1
26 1 15 ILE HB 1 19 PHE QD 4.190 . 6.580 1.988 1.702 2.373 0.098 7 0 "[ . 1 . 2]" 1
27 1 15 ILE HB 1 19 PHE QE 4.290 . 6.780 2.822 2.107 3.688 . 0 0 "[ . 1 . 2]" 1
28 1 15 ILE HB 1 21 LEU MD1 4.160 . 6.520 4.295 2.300 5.359 . 0 0 "[ . 1 . 2]" 1
29 1 15 ILE HB 1 21 LEU MD2 4.160 . 6.520 4.127 3.393 5.383 . 0 0 "[ . 1 . 2]" 1
30 1 15 ILE HB 1 74 TYR HB2 3.020 . 4.240 2.333 1.977 2.636 . 0 0 "[ . 1 . 2]" 1
31 1 15 ILE MD 1 16 LYS H 3.705 . 5.610 2.750 2.544 2.962 . 0 0 "[ . 1 . 2]" 1
32 1 15 ILE MD 1 16 LYS HA 3.165 . 4.530 2.517 2.335 2.650 . 0 0 "[ . 1 . 2]" 1
33 1 15 ILE MD 1 16 LYS HE2 4.160 . 6.520 3.717 2.754 4.900 . 0 0 "[ . 1 . 2]" 1
34 1 15 ILE MD 1 16 LYS HE3 4.160 . 6.520 3.473 2.476 5.296 . 0 0 "[ . 1 . 2]" 1
35 1 15 ILE MD 1 16 LYS HG2 3.520 . 5.240 2.802 2.349 4.234 . 0 0 "[ . 1 . 2]" 1
36 1 15 ILE MD 1 18 LYS H 4.160 . 6.520 5.161 4.763 5.281 . 0 0 "[ . 1 . 2]" 1
37 1 15 ILE MD 1 19 PHE H 3.920 . 6.040 4.502 4.217 4.732 . 0 0 "[ . 1 . 2]" 1
38 1 15 ILE MD 1 19 PHE QD 4.340 . 6.880 3.325 2.815 3.789 . 0 0 "[ . 1 . 2]" 1
39 1 15 ILE MD 1 21 LEU MD1 4.010 . 6.220 3.132 1.712 4.135 0.088 7 0 "[ . 1 . 2]" 1
40 1 15 ILE MD 1 66 LEU MD2 4.625 . 7.450 3.955 3.298 4.492 . 0 0 "[ . 1 . 2]" 1
41 1 15 ILE MD 1 74 TYR HB2 3.960 . 6.120 2.853 2.130 3.387 . 0 0 "[ . 1 . 2]" 1
42 1 15 ILE MD 1 74 TYR HB3 3.910 . 6.020 3.323 2.746 3.803 . 0 0 "[ . 1 . 2]" 1
43 1 15 ILE MD 1 74 TYR QD 4.175 . 6.550 2.875 2.556 3.061 . 0 0 "[ . 1 . 2]" 1
44 1 15 ILE MD 1 74 TYR QE 4.540 . 7.280 3.294 3.051 3.546 . 0 0 "[ . 1 . 2]" 1
45 1 15 ILE HG12 1 19 PHE QD 4.715 . 7.630 4.619 4.328 5.060 . 0 0 "[ . 1 . 2]" 1
46 1 15 ILE HG12 1 74 TYR HB2 3.015 . 4.230 2.842 2.119 3.757 . 0 0 "[ . 1 . 2]" 1
47 1 15 ILE HG12 1 74 TYR QE 4.610 . 7.420 3.772 3.151 4.855 . 0 0 "[ . 1 . 2]" 1
48 1 15 ILE HG13 1 16 LYS H 3.060 . 4.320 2.480 2.282 2.842 . 0 0 "[ . 1 . 2]" 1
49 1 15 ILE HG13 1 16 LYS HB2 2.915 . 4.030 4.073 3.789 4.122 0.092 7 0 "[ . 1 . 2]" 1
50 1 15 ILE HG13 1 19 PHE QD 4.715 . 7.630 4.717 4.476 5.130 . 0 0 "[ . 1 . 2]" 1
51 1 15 ILE MG 1 18 LYS HB3 4.105 . 6.410 3.806 3.453 4.375 . 0 0 "[ . 1 . 2]" 1
52 1 15 ILE MG 1 19 PHE QD 4.460 . 7.120 3.134 2.474 3.584 . 0 0 "[ . 1 . 2]" 1
53 1 15 ILE MG 1 19 PHE QE 4.160 . 6.520 2.166 1.794 2.582 0.006 18 0 "[ . 1 . 2]" 1
54 1 15 ILE MG 1 74 TYR H 3.530 . 5.260 2.418 1.881 2.931 . 0 0 "[ . 1 . 2]" 1
55 1 15 ILE MG 1 74 TYR HB2 3.240 . 4.680 1.970 1.526 2.404 0.274 3 0 "[ . 1 . 2]" 1
56 1 15 ILE MG 1 74 TYR HB3 3.520 . 5.240 3.435 2.983 3.782 . 0 0 "[ . 1 . 2]" 1
57 1 15 ILE MG 1 74 TYR QD 4.040 . 6.280 2.878 2.080 3.743 . 0 0 "[ . 1 . 2]" 1
58 1 15 ILE MG 1 74 TYR QE 4.685 . 7.570 4.688 3.879 5.568 . 0 0 "[ . 1 . 2]" 1
59 1 16 LYS H 1 17 LYS H 2.640 . 3.480 2.435 2.263 2.542 . 0 0 "[ . 1 . 2]" 1
60 1 16 LYS H 1 17 LYS HB2 3.700 . 5.600 4.693 4.442 5.022 . 0 0 "[ . 1 . 2]" 1
61 1 16 LYS HA 1 21 LEU HB2 2.420 . 3.040 2.406 1.791 2.917 0.009 8 0 "[ . 1 . 2]" 1
62 1 16 LYS HA 1 21 LEU MD1 4.105 . 6.410 4.000 3.052 4.701 . 0 0 "[ . 1 . 2]" 1
63 1 16 LYS HG2 1 21 LEU HB2 2.830 . 3.860 3.205 2.229 3.926 0.066 2 0 "[ . 1 . 2]" 1
64 1 17 LYS H 1 18 LYS H 2.360 . 2.920 2.154 1.990 2.379 . 0 0 "[ . 1 . 2]" 1
65 1 18 LYS H 1 19 PHE H 2.250 . 2.700 2.704 2.378 2.764 0.064 7 0 "[ . 1 . 2]" 1
66 1 18 LYS HB2 1 19 PHE H 2.815 . 3.830 3.763 3.476 3.882 0.052 15 0 "[ . 1 . 2]" 1
67 1 18 LYS HB2 1 19 PHE QD 4.470 . 7.140 4.963 4.524 5.332 . 0 0 "[ . 1 . 2]" 1
68 1 18 LYS HB2 1 19 PHE QE 4.535 . 7.270 5.111 4.785 5.552 . 0 0 "[ . 1 . 2]" 1
69 1 18 LYS HB3 1 19 PHE H 2.655 . 3.510 2.443 2.148 2.685 . 0 0 "[ . 1 . 2]" 1
70 1 18 LYS HB3 1 19 PHE HA 3.285 . 4.770 4.421 4.129 4.586 . 0 0 "[ . 1 . 2]" 1
71 1 18 LYS HB3 1 19 PHE QD 4.060 . 6.320 3.443 2.852 3.949 . 0 0 "[ . 1 . 2]" 1
72 1 18 LYS HB3 1 19 PHE QE 4.030 . 6.260 3.909 3.557 4.333 . 0 0 "[ . 1 . 2]" 1
73 1 18 LYS HE2 1 19 PHE QD 4.635 . 7.470 4.743 4.070 5.740 . 0 0 "[ . 1 . 2]" 1
74 1 18 LYS HE2 1 19 PHE QE 3.990 . 6.180 3.436 2.573 4.296 . 0 0 "[ . 1 . 2]" 1
75 1 18 LYS HE2 1 19 PHE HZ 2.880 . 3.960 3.174 2.251 4.053 0.093 18 0 "[ . 1 . 2]" 1
76 1 18 LYS HE3 1 19 PHE QD 4.635 . 7.470 4.917 3.809 5.805 . 0 0 "[ . 1 . 2]" 1
77 1 18 LYS HE3 1 19 PHE QE 3.990 . 6.180 3.643 2.369 4.403 . 0 0 "[ . 1 . 2]" 1
78 1 18 LYS HE3 1 19 PHE HZ 2.880 . 3.960 3.538 2.306 4.016 0.056 1 0 "[ . 1 . 2]" 1
79 1 18 LYS HG2 1 19 PHE H 3.505 . 5.210 3.717 3.343 4.002 . 0 0 "[ . 1 . 2]" 1
80 1 18 LYS HG2 1 19 PHE QD 3.950 . 6.100 3.516 3.148 4.005 . 0 0 "[ . 1 . 2]" 1
81 1 18 LYS HG2 1 19 PHE QE 4.020 . 6.240 3.466 3.115 3.863 . 0 0 "[ . 1 . 2]" 1
82 1 18 LYS HG2 1 19 PHE HZ 3.140 . 4.480 4.114 3.676 4.515 0.035 18 0 "[ . 1 . 2]" 1
83 1 18 LYS HG3 1 19 PHE QD 4.335 . 6.870 4.968 4.702 5.350 . 0 0 "[ . 1 . 2]" 1
84 1 19 PHE H 1 21 LEU MD1 4.035 . 6.270 4.654 3.519 5.096 . 0 0 "[ . 1 . 2]" 1
85 1 19 PHE HB2 1 20 LYS H 3.650 . 5.500 3.472 3.219 3.786 . 0 0 "[ . 1 . 2]" 1
86 1 19 PHE HB2 1 21 LEU H 3.200 . 4.600 4.218 3.471 4.432 . 0 0 "[ . 1 . 2]" 1
87 1 19 PHE HB2 1 21 LEU HB2 3.060 . 4.320 3.281 2.249 4.317 . 0 0 "[ . 1 . 2]" 1
88 1 19 PHE HB2 1 21 LEU MD1 3.880 . 5.960 2.804 1.986 3.365 . 0 0 "[ . 1 . 2]" 1
89 1 19 PHE HB2 1 66 LEU MD2 3.805 . 5.810 3.517 3.165 3.794 . 0 0 "[ . 1 . 2]" 1
90 1 19 PHE HB2 1 66 LEU HG 3.175 . 4.550 3.681 3.182 4.170 . 0 0 "[ . 1 . 2]" 1
91 1 19 PHE HB3 1 20 LYS H 3.280 . 4.760 4.249 4.120 4.416 . 0 0 "[ . 1 . 2]" 1
92 1 19 PHE HB3 1 21 LEU H 3.580 . 5.360 5.351 4.610 5.418 0.058 19 0 "[ . 1 . 2]" 1
93 1 19 PHE HB3 1 21 LEU HB2 3.650 . 5.500 4.555 3.485 5.513 0.013 5 0 "[ . 1 . 2]" 1
94 1 19 PHE HB3 1 21 LEU MD1 3.830 . 5.860 3.214 2.495 3.890 . 0 0 "[ . 1 . 2]" 1
95 1 19 PHE HB3 1 66 LEU MD2 3.370 . 4.940 3.199 2.666 3.634 . 0 0 "[ . 1 . 2]" 1
96 1 19 PHE HB3 1 66 LEU HG 2.755 . 3.710 3.024 2.213 3.684 . 0 0 "[ . 1 . 2]" 1
97 1 19 PHE QD 1 66 LEU MD2 4.005 . 6.210 2.878 2.610 3.325 . 0 0 "[ . 1 . 2]" 1
98 1 19 PHE QD 1 66 LEU HG 4.040 . 6.280 3.963 2.685 4.768 . 0 0 "[ . 1 . 2]" 1
99 1 19 PHE QD 1 74 TYR HB3 4.325 . 6.850 3.438 3.076 3.736 . 0 0 "[ . 1 . 2]" 1
100 1 19 PHE QD 1 75 GLY HA2 4.595 . 7.390 4.420 3.934 4.848 . 0 0 "[ . 1 . 2]" 1
101 1 19 PHE QE 1 42 ASN HB2 3.875 . 5.950 2.751 1.997 3.670 . 0 0 "[ . 1 . 2]" 1
102 1 19 PHE QE 1 42 ASN HB3 3.875 . 5.950 4.212 3.542 5.217 . 0 0 "[ . 1 . 2]" 1
103 1 19 PHE QE 1 66 LEU MD2 4.170 . 6.540 3.363 3.058 3.929 . 0 0 "[ . 1 . 2]" 1
104 1 19 PHE QE 1 74 TYR HA 4.060 . 6.320 4.851 4.527 5.450 . 0 0 "[ . 1 . 2]" 1
105 1 19 PHE QE 1 74 TYR HB2 3.770 . 5.740 3.061 2.380 3.703 . 0 0 "[ . 1 . 2]" 1
106 1 19 PHE QE 1 74 TYR HB3 3.755 . 5.710 3.497 2.807 4.333 . 0 0 "[ . 1 . 2]" 1
107 1 19 PHE QE 1 75 GLY HA2 3.720 . 5.640 2.884 2.476 3.284 . 0 0 "[ . 1 . 2]" 1
108 1 19 PHE QE 1 75 GLY HA3 4.380 . 6.960 4.224 3.925 4.605 . 0 0 "[ . 1 . 2]" 1
109 1 19 PHE QE 1 76 TYR H 4.420 . 7.040 3.153 2.442 3.869 . 0 0 "[ . 1 . 2]" 1
110 1 19 PHE HZ 1 42 ASN HA 3.305 . 4.810 3.518 2.921 3.806 . 0 0 "[ . 1 . 2]" 1
111 1 19 PHE HZ 1 42 ASN HB2 3.200 . 4.600 4.405 3.771 4.649 0.049 8 0 "[ . 1 . 2]" 1
112 1 19 PHE HZ 1 66 LEU MD2 3.820 . 5.840 4.193 3.724 4.839 . 0 0 "[ . 1 . 2]" 1
113 1 19 PHE HZ 1 75 GLY HA2 2.620 . 3.440 2.317 1.825 2.812 . 0 0 "[ . 1 . 2]" 1
114 1 19 PHE HZ 1 75 GLY HA3 3.135 . 4.470 3.804 3.442 4.244 . 0 0 "[ . 1 . 2]" 1
115 1 20 LYS H 1 21 LEU H 2.945 . 4.090 3.065 2.697 3.213 . 0 0 "[ . 1 . 2]" 1
116 1 20 LYS H 1 21 LEU MD1 4.670 . 7.540 4.791 3.376 5.158 . 0 0 "[ . 1 . 2]" 1
117 1 20 LYS HA 1 21 LEU HB2 3.270 . 4.740 4.485 4.293 4.756 0.016 5 0 "[ . 1 . 2]" 1
118 1 20 LYS HA 1 21 LEU MD1 4.040 . 6.280 5.042 3.854 5.257 . 0 0 "[ . 1 . 2]" 1
119 1 20 LYS HA 1 22 THR MG 3.905 . 6.010 3.780 3.136 5.046 . 0 0 "[ . 1 . 2]" 1
120 1 21 LEU H 1 22 THR MG 3.560 . 5.320 3.693 3.151 4.521 . 0 0 "[ . 1 . 2]" 1
121 1 21 LEU HA 1 22 THR H 2.625 . 3.450 3.138 2.947 3.500 0.050 4 0 "[ . 1 . 2]" 1
122 1 21 LEU HB3 1 22 THR H 3.430 . 5.060 3.805 2.436 4.356 . 0 0 "[ . 1 . 2]" 1
123 1 21 LEU MD1 1 22 THR H 4.160 . 6.520 4.756 4.327 5.380 . 0 0 "[ . 1 . 2]" 1
124 1 21 LEU MD1 1 56 ARG HD2 4.430 . 7.060 4.336 2.771 5.421 . 0 0 "[ . 1 . 2]" 1
125 1 21 LEU MD1 1 66 LEU MD2 4.230 . 6.660 3.152 2.210 3.705 . 0 0 "[ . 1 . 2]" 1
126 1 21 LEU MD1 1 74 TYR QD 4.990 . 8.180 3.566 2.101 4.479 . 0 0 "[ . 1 . 2]" 1
127 1 21 LEU MD2 1 22 THR H 4.160 . 6.520 5.123 4.358 5.466 . 0 0 "[ . 1 . 2]" 1
128 1 22 THR HA 1 23 GLY HA2 3.650 . 5.500 4.364 4.263 4.606 . 0 0 "[ . 1 . 2]" 1
129 1 22 THR HA 1 23 GLY HA3 3.650 . 5.500 4.445 4.273 5.018 . 0 0 "[ . 1 . 2]" 1
130 1 23 GLY HA2 1 24 PRO HA 3.405 . 5.010 4.447 4.385 4.677 . 0 0 "[ . 1 . 2]" 1
131 1 23 GLY HA2 1 24 PRO HD3 3.120 . 4.440 2.460 2.020 3.743 . 0 0 "[ . 1 . 2]" 1
132 1 23 GLY HA2 1 24 PRO HG3 3.870 . 5.940 4.383 3.896 5.837 . 0 0 "[ . 1 . 2]" 1
133 1 24 PRO HA 1 25 ILE H 2.395 . 2.990 2.160 1.932 2.258 . 0 0 "[ . 1 . 2]" 1
134 1 24 PRO HA 1 25 ILE MD 4.160 . 6.520 4.760 3.857 5.473 . 0 0 "[ . 1 . 2]" 1
135 1 24 PRO HB3 1 25 ILE H 3.245 . 4.690 3.899 3.364 4.271 . 0 0 "[ . 1 . 2]" 1
136 1 25 ILE H 1 26 GLN H 3.260 . 4.720 4.061 2.187 4.573 . 0 0 "[ . 1 . 2]" 1
137 1 25 ILE HA 1 26 GLN HG2 3.650 . 5.500 4.763 3.469 5.585 0.085 10 0 "[ . 1 . 2]" 1
138 1 25 ILE HA 1 26 GLN HG3 3.650 . 5.500 4.335 3.385 5.572 0.072 12 0 "[ . 1 . 2]" 1
139 1 25 ILE HB 1 74 TYR QE 4.690 . 7.580 4.855 3.934 5.637 . 0 0 "[ . 1 . 2]" 1
140 1 25 ILE MD 1 26 GLN H 3.480 . 5.160 3.418 1.527 3.953 0.273 9 0 "[ . 1 . 2]" 1
141 1 25 ILE MD 1 26 GLN HA 3.405 . 5.010 3.515 3.127 4.154 . 0 0 "[ . 1 . 2]" 1
142 1 25 ILE MD 1 27 VAL HA 3.905 . 6.010 4.647 3.851 4.909 . 0 0 "[ . 1 . 2]" 1
143 1 25 ILE MD 1 55 ILE HB 3.290 . 4.780 3.373 2.370 3.827 . 0 0 "[ . 1 . 2]" 1
144 1 25 ILE MD 1 68 ARG HD2 3.845 . 5.890 4.281 3.004 4.965 . 0 0 "[ . 1 . 2]" 1
145 1 25 ILE MD 1 74 TYR QD 5.060 . 8.320 4.495 3.845 5.370 . 0 0 "[ . 1 . 2]" 1
146 1 25 ILE MD 1 74 TYR QE 4.005 . 6.210 2.695 2.015 3.497 . 0 0 "[ . 1 . 2]" 1
147 1 25 ILE MG 1 26 GLN H 3.500 . 5.200 3.544 2.202 4.332 . 0 0 "[ . 1 . 2]" 1
148 1 26 GLN HA 1 27 VAL MG1 3.840 . 5.880 4.383 3.735 5.123 . 0 0 "[ . 1 . 2]" 1
149 1 26 GLN HB3 1 28 ILE H 4.010 . 6.220 5.904 5.236 6.264 0.044 5 0 "[ . 1 . 2]" 1
150 1 27 VAL HA 1 55 ILE HA 2.760 . 3.720 2.158 1.772 2.981 0.028 3 0 "[ . 1 . 2]" 1
151 1 27 VAL HA 1 55 ILE MD 3.470 . 5.140 3.605 2.910 4.242 . 0 0 "[ . 1 . 2]" 1
152 1 27 VAL MG1 1 28 ILE H 3.955 . 6.110 3.295 2.452 3.794 . 0 0 "[ . 1 . 2]" 1
153 1 27 VAL MG1 1 29 HIS H 3.920 . 6.040 3.600 2.580 4.237 . 0 0 "[ . 1 . 2]" 1
154 1 27 VAL MG1 1 29 HIS HA 4.005 . 6.210 4.552 3.569 5.229 . 0 0 "[ . 1 . 2]" 1
155 1 27 VAL MG1 1 29 HIS HB2 4.670 . 7.540 5.717 4.743 6.231 . 0 0 "[ . 1 . 2]" 1
156 1 27 VAL MG1 1 30 LEU H 4.670 . 7.540 5.267 4.357 5.816 . 0 0 "[ . 1 . 2]" 1
157 1 27 VAL MG1 1 30 LEU MD1 4.300 . 6.800 3.192 2.443 4.141 . 0 0 "[ . 1 . 2]" 1
158 1 27 VAL MG1 1 53 GLU HB3 3.705 . 5.610 2.575 1.730 3.595 0.070 10 0 "[ . 1 . 2]" 1
159 1 27 VAL MG1 1 53 GLU HG3 4.035 . 6.270 4.198 3.041 5.044 . 0 0 "[ . 1 . 2]" 1
160 1 27 VAL MG1 1 54 ILE HA 4.655 . 7.510 5.075 4.073 6.368 . 0 0 "[ . 1 . 2]" 1
161 1 27 VAL MG1 1 55 ILE HA 4.160 . 6.520 4.061 3.308 4.899 . 0 0 "[ . 1 . 2]" 1
162 1 28 ILE H 1 29 HIS H 2.900 . 4.000 2.225 1.905 2.549 . 0 0 "[ . 1 . 2]" 1
163 1 28 ILE H 1 55 ILE HA 3.320 . 4.840 2.414 2.285 2.669 . 0 0 "[ . 1 . 2]" 1
164 1 28 ILE H 1 55 ILE HB 3.510 . 5.220 5.128 4.570 5.345 0.125 11 0 "[ . 1 . 2]" 1
165 1 28 ILE HB 1 29 HIS H 2.910 . 4.020 2.723 2.408 2.969 . 0 0 "[ . 1 . 2]" 1
166 1 28 ILE HB 1 54 ILE HB 3.650 . 5.500 5.144 4.571 5.521 0.021 16 0 "[ . 1 . 2]" 1
167 1 28 ILE HB 1 54 ILE MD 3.210 . 4.620 3.440 2.496 3.789 . 0 0 "[ . 1 . 2]" 1
168 1 28 ILE HB 1 55 ILE HA 3.220 . 4.640 4.003 3.169 4.494 . 0 0 "[ . 1 . 2]" 1
169 1 28 ILE HB 1 57 ILE MD 3.355 . 4.910 2.646 2.329 2.930 . 0 0 "[ . 1 . 2]" 1
170 1 28 ILE HG12 1 29 HIS H 3.585 . 5.370 4.338 3.833 5.073 . 0 0 "[ . 1 . 2]" 1
171 1 28 ILE HG12 1 55 ILE HA 3.145 . 4.490 3.042 2.195 4.520 0.030 11 0 "[ . 1 . 2]" 1
172 1 28 ILE HG13 1 55 ILE HA 3.145 . 4.490 3.928 2.403 4.509 0.019 8 0 "[ . 1 . 2]" 1
173 1 28 ILE MG 1 29 HIS H 3.645 . 5.490 3.584 3.304 3.880 . 0 0 "[ . 1 . 2]" 1
174 1 28 ILE MG 1 29 HIS HB2 3.990 . 6.180 3.885 3.475 4.491 . 0 0 "[ . 1 . 2]" 1
175 1 28 ILE MG 1 29 HIS HD2 3.675 . 5.550 2.184 1.487 3.740 0.313 2 0 "[ . 1 . 2]" 1
176 1 29 HIS H 1 30 LEU H 3.155 . 4.510 4.325 4.229 4.416 . 0 0 "[ . 1 . 2]" 1
177 1 29 HIS H 1 30 LEU MD1 4.380 . 6.960 4.716 3.823 5.662 . 0 0 "[ . 1 . 2]" 1
178 1 29 HIS H 1 54 ILE H 3.220 . 4.640 3.557 3.367 3.940 . 0 0 "[ . 1 . 2]" 1
179 1 29 HIS H 1 54 ILE MD 3.140 . 4.480 2.424 2.213 2.784 . 0 0 "[ . 1 . 2]" 1
180 1 29 HIS H 1 54 ILE HG12 3.395 . 4.990 3.192 2.777 3.455 . 0 0 "[ . 1 . 2]" 1
181 1 29 HIS H 1 57 ILE MD 3.920 . 6.040 4.187 3.899 4.706 . 0 0 "[ . 1 . 2]" 1
182 1 29 HIS HB2 1 30 LEU H 3.440 . 5.080 3.457 3.092 3.824 . 0 0 "[ . 1 . 2]" 1
183 1 29 HIS HB2 1 30 LEU MD1 4.515 . 7.230 5.393 4.828 5.954 . 0 0 "[ . 1 . 2]" 1
184 1 29 HIS HB2 1 31 ALA H 3.650 . 5.500 5.260 4.927 5.505 0.005 3 0 "[ . 1 . 2]" 1
185 1 29 HIS HB2 1 31 ALA MB 4.160 . 6.520 4.528 4.182 4.839 . 0 0 "[ . 1 . 2]" 1
186 1 29 HIS HB2 1 54 ILE H 3.525 . 5.250 4.273 3.967 4.709 . 0 0 "[ . 1 . 2]" 1
187 1 29 HIS HB2 1 54 ILE MD 3.695 . 5.590 1.468 1.286 1.827 0.514 15 1 "[ . 1 + 2]" 1
188 1 29 HIS HB2 1 54 ILE HG12 3.280 . 4.760 3.564 2.837 4.104 . 0 0 "[ . 1 . 2]" 1
189 1 29 HIS HB2 1 54 ILE MG 4.160 . 6.520 4.383 4.231 4.685 . 0 0 "[ . 1 . 2]" 1
190 1 29 HIS HB2 1 84 ILE MD 3.575 . 5.350 3.128 2.755 4.084 . 0 0 "[ . 1 . 2]" 1
191 1 29 HIS HB2 1 84 ILE MG 3.650 . 5.500 2.722 2.419 3.194 . 0 0 "[ . 1 . 2]" 1
192 1 29 HIS HB3 1 30 LEU H 3.260 . 4.720 2.227 1.962 2.682 . 0 0 "[ . 1 . 2]" 1
193 1 29 HIS HB3 1 54 ILE H 3.650 . 5.500 5.099 4.735 5.490 . 0 0 "[ . 1 . 2]" 1
194 1 29 HIS HB3 1 54 ILE MD 3.165 . 4.530 2.812 2.357 3.165 . 0 0 "[ . 1 . 2]" 1
195 1 29 HIS HB3 1 84 ILE MD 3.185 . 4.570 3.607 3.291 4.021 . 0 0 "[ . 1 . 2]" 1
196 1 29 HIS HB3 1 84 ILE MG 3.715 . 5.630 2.480 1.802 3.015 . 0 0 "[ . 1 . 2]" 1
197 1 29 HIS HD2 1 54 ILE MD 3.460 . 5.120 3.176 2.664 3.568 . 0 0 "[ . 1 . 2]" 1
198 1 29 HIS HD2 1 57 ILE MD 3.545 . 5.290 2.611 1.748 3.630 0.052 11 0 "[ . 1 . 2]" 1
199 1 29 HIS HD2 1 84 ILE MD 3.890 . 5.980 4.601 3.950 5.092 . 0 0 "[ . 1 . 2]" 1
200 1 29 HIS HD2 1 84 ILE MG 3.580 . 5.360 3.614 2.328 4.080 . 0 0 "[ . 1 . 2]" 1
201 1 30 LEU HA 1 54 ILE H 2.835 . 3.870 3.137 2.661 3.631 . 0 0 "[ . 1 . 2]" 1
202 1 30 LEU HB3 1 31 ALA H 3.350 . 4.900 3.497 2.935 4.169 . 0 0 "[ . 1 . 2]" 1
203 1 30 LEU MD1 1 31 ALA H 4.015 . 6.230 3.733 2.342 4.775 . 0 0 "[ . 1 . 2]" 1
204 1 30 LEU MD1 1 53 GLU HA 3.815 . 5.830 3.521 2.214 4.721 . 0 0 "[ . 1 . 2]" 1
205 1 30 LEU MD1 1 53 GLU HB3 3.885 . 5.970 3.305 1.839 4.312 . 0 0 "[ . 1 . 2]" 1
206 1 30 LEU MD1 1 53 GLU HG3 4.015 . 6.230 4.142 2.926 5.186 . 0 0 "[ . 1 . 2]" 1
207 1 31 ALA H 1 53 GLU HA 2.505 . 3.210 2.202 1.874 2.356 . 0 0 "[ . 1 . 2]" 1
208 1 31 ALA H 1 53 GLU HG3 4.010 . 6.220 4.930 4.012 5.955 . 0 0 "[ . 1 . 2]" 1
209 1 31 ALA H 1 54 ILE H 2.435 . 3.070 3.170 3.136 3.195 0.125 3 0 "[ . 1 . 2]" 1
210 1 31 ALA H 1 54 ILE MD 3.370 . 4.940 3.402 3.081 3.606 . 0 0 "[ . 1 . 2]" 1
211 1 31 ALA HA 1 82 VAL HB 2.600 . 3.400 3.488 3.426 3.548 0.148 1 0 "[ . 1 . 2]" 1
212 1 31 ALA HA 1 82 VAL MG2 3.250 . 4.700 3.844 3.821 3.878 . 0 0 "[ . 1 . 2]" 1
213 1 31 ALA HA 1 84 ILE HA 2.475 . 3.150 2.347 2.039 2.758 . 0 0 "[ . 1 . 2]" 1
214 1 31 ALA HA 1 84 ILE MD 3.420 . 5.040 2.402 2.215 2.556 . 0 0 "[ . 1 . 2]" 1
215 1 31 ALA HA 1 84 ILE MG 3.680 . 5.560 4.178 3.750 4.655 . 0 0 "[ . 1 . 2]" 1
216 1 31 ALA HA 1 85 ASP H 2.825 . 3.850 3.403 3.019 3.820 . 0 0 "[ . 1 . 2]" 1
217 1 31 ALA MB 1 32 LYS H 3.360 . 4.920 2.267 2.171 2.386 . 0 0 "[ . 1 . 2]" 1
218 1 31 ALA MB 1 52 ILE MD 3.935 . 6.070 2.391 2.233 2.633 . 0 0 "[ . 1 . 2]" 1
219 1 31 ALA MB 1 54 ILE MG 3.300 . 4.800 2.056 1.852 2.225 . 0 0 "[ . 1 . 2]" 1
220 1 31 ALA MB 1 65 TRP HE3 3.670 . 5.540 4.168 3.803 4.274 . 0 0 "[ . 1 . 2]" 1
221 1 31 ALA MB 1 65 TRP HZ3 3.750 . 5.700 4.601 4.542 4.652 . 0 0 "[ . 1 . 2]" 1
222 1 31 ALA MB 1 67 GLY HA2 3.865 . 5.930 4.863 4.765 4.901 . 0 0 "[ . 1 . 2]" 1
223 1 31 ALA MB 1 82 VAL HB 2.930 . 4.060 1.936 1.757 2.203 0.043 7 0 "[ . 1 . 2]" 1
224 1 31 ALA MB 1 82 VAL MG1 3.390 . 4.980 2.501 2.329 2.629 . 0 0 "[ . 1 . 2]" 1
225 1 31 ALA MB 1 82 VAL MG2 3.435 . 5.070 2.161 2.010 2.355 . 0 0 "[ . 1 . 2]" 1
226 1 31 ALA MB 1 83 GLU H 3.405 . 5.010 3.858 3.716 3.932 . 0 0 "[ . 1 . 2]" 1
227 1 31 ALA MB 1 84 ILE HA 3.210 . 4.620 3.242 3.035 3.777 . 0 0 "[ . 1 . 2]" 1
228 1 31 ALA MB 1 84 ILE HB 3.890 . 5.980 4.899 4.566 4.961 . 0 0 "[ . 1 . 2]" 1
229 1 31 ALA MB 1 84 ILE MD 3.795 . 5.790 1.705 1.595 1.965 0.205 13 0 "[ . 1 . 2]" 1
230 1 31 ALA MB 1 85 ASP H 4.150 . 6.500 4.533 4.223 5.094 . 0 0 "[ . 1 . 2]" 1
231 1 32 LYS H 1 33 ALA H 2.565 . 3.330 3.462 3.436 3.506 0.176 16 0 "[ . 1 . 2]" 1
232 1 32 LYS H 1 52 ILE MG 4.160 . 6.520 5.472 5.433 5.505 . 0 0 "[ . 1 . 2]" 1
233 1 32 LYS H 1 82 VAL MG1 4.160 . 6.520 3.257 2.946 3.458 . 0 0 "[ . 1 . 2]" 1
234 1 32 LYS H 1 84 ILE HA 3.650 . 5.500 4.114 3.809 4.290 . 0 0 "[ . 1 . 2]" 1
235 1 32 LYS HA 1 52 ILE MD 3.450 . 5.100 3.724 3.344 3.909 . 0 0 "[ . 1 . 2]" 1
236 1 32 LYS HB2 1 33 ALA H 3.435 . 5.070 3.617 3.391 4.236 . 0 0 "[ . 1 . 2]" 1
237 1 32 LYS HB2 1 49 GLY HA2 3.405 . 5.010 4.197 3.608 4.746 . 0 0 "[ . 1 . 2]" 1
238 1 32 LYS HB2 1 49 GLY HA3 4.010 . 6.220 5.798 5.223 6.270 0.050 18 0 "[ . 1 . 2]" 1
239 1 32 LYS HB2 1 51 GLN HA 3.065 . 4.330 3.861 3.253 4.343 0.013 8 0 "[ . 1 . 2]" 1
240 1 32 LYS HB2 1 51 GLN HG2 4.160 . 6.520 4.873 3.579 6.425 . 0 0 "[ . 1 . 2]" 1
241 1 32 LYS HB3 1 33 ALA H 3.435 . 5.070 4.191 4.058 4.352 . 0 0 "[ . 1 . 2]" 1
242 1 33 ALA H 1 34 CYS H 3.235 . 4.670 4.520 4.360 4.584 . 0 0 "[ . 1 . 2]" 1
243 1 33 ALA H 1 46 PHE QD 4.715 . 7.630 4.934 3.974 5.267 . 0 0 "[ . 1 . 2]" 1
244 1 33 ALA H 1 49 GLY HA2 3.650 . 5.500 5.361 4.818 5.513 0.013 20 0 "[ . 1 . 2]" 1
245 1 33 ALA H 1 50 GLU H 3.115 . 4.430 3.920 3.566 4.130 . 0 0 "[ . 1 . 2]" 1
246 1 33 ALA H 1 50 GLU HB2 3.575 . 5.350 3.847 3.628 4.078 . 0 0 "[ . 1 . 2]" 1
247 1 33 ALA H 1 50 GLU HB3 3.415 . 5.030 4.148 2.559 4.461 . 0 0 "[ . 1 . 2]" 1
248 1 33 ALA H 1 52 ILE H 2.600 . 3.400 3.278 3.013 3.434 0.034 11 0 "[ . 1 . 2]" 1
249 1 33 ALA H 1 52 ILE MD 4.010 . 6.220 2.924 2.434 3.150 . 0 0 "[ . 1 . 2]" 1
250 1 33 ALA H 1 52 ILE HG12 3.215 . 4.630 2.412 2.200 2.606 . 0 0 "[ . 1 . 2]" 1
251 1 33 ALA H 1 52 ILE HG13 2.975 . 4.150 3.936 3.592 4.161 0.011 2 0 "[ . 1 . 2]" 1
252 1 33 ALA H 1 82 VAL MG1 3.870 . 5.940 2.973 2.804 3.113 . 0 0 "[ . 1 . 2]" 1
253 1 33 ALA HA 1 52 ILE MD 3.375 . 4.950 3.339 3.074 3.619 . 0 0 "[ . 1 . 2]" 1
254 1 33 ALA HA 1 52 ILE HG12 3.355 . 4.910 4.479 4.272 4.693 . 0 0 "[ . 1 . 2]" 1
255 1 33 ALA HA 1 81 ALA MB 4.045 . 6.290 4.171 3.995 4.336 . 0 0 "[ . 1 . 2]" 1
256 1 33 ALA HA 1 82 VAL HA 2.520 . 3.240 2.095 1.933 2.230 . 0 0 "[ . 1 . 2]" 1
257 1 33 ALA HA 1 82 VAL HB 3.105 . 4.410 3.233 3.044 3.529 . 0 0 "[ . 1 . 2]" 1
258 1 33 ALA HA 1 82 VAL MG1 2.955 . 4.110 1.546 1.434 1.736 0.366 18 0 "[ . 1 . 2]" 1
259 1 33 ALA HA 1 82 VAL MG2 3.855 . 5.910 4.134 4.039 4.263 . 0 0 "[ . 1 . 2]" 1
260 1 33 ALA MB 1 34 CYS H 3.295 . 4.790 3.022 2.815 3.367 . 0 0 "[ . 1 . 2]" 1
261 1 33 ALA MB 1 37 VAL MG1 3.865 . 5.930 3.105 1.927 3.563 . 0 0 "[ . 1 . 2]" 1
262 1 33 ALA MB 1 44 LEU HB2 4.160 . 6.520 5.547 5.481 5.601 . 0 0 "[ . 1 . 2]" 1
263 1 33 ALA MB 1 46 PHE HB2 3.305 . 4.810 2.588 2.414 2.804 . 0 0 "[ . 1 . 2]" 1
264 1 33 ALA MB 1 46 PHE HB3 3.565 . 5.330 3.642 3.462 3.953 . 0 0 "[ . 1 . 2]" 1
265 1 33 ALA MB 1 46 PHE QD 3.940 . 6.080 2.492 2.114 2.711 . 0 0 "[ . 1 . 2]" 1
266 1 33 ALA MB 1 46 PHE QE 4.010 . 6.220 2.802 2.574 2.932 . 0 0 "[ . 1 . 2]" 1
267 1 33 ALA MB 1 46 PHE HZ 3.205 . 4.610 3.638 3.426 3.801 . 0 0 "[ . 1 . 2]" 1
268 1 33 ALA MB 1 48 GLN HA 3.420 . 5.040 3.916 3.634 4.108 . 0 0 "[ . 1 . 2]" 1
269 1 33 ALA MB 1 49 GLY H 3.470 . 5.140 3.975 3.699 4.175 . 0 0 "[ . 1 . 2]" 1
270 1 33 ALA MB 1 50 GLU HB2 3.235 . 4.670 2.317 2.198 2.544 . 0 0 "[ . 1 . 2]" 1
271 1 33 ALA MB 1 50 GLU HB3 3.450 . 5.100 3.242 2.143 3.446 . 0 0 "[ . 1 . 2]" 1
272 1 33 ALA MB 1 51 GLN H 4.160 . 6.520 5.292 5.230 5.352 . 0 0 "[ . 1 . 2]" 1
273 1 33 ALA MB 1 52 ILE MD 3.435 . 5.070 2.050 1.886 2.346 . 0 0 "[ . 1 . 2]" 1
274 1 33 ALA MB 1 52 ILE HG12 3.250 . 4.700 3.170 2.975 3.385 . 0 0 "[ . 1 . 2]" 1
275 1 33 ALA MB 1 52 ILE HG13 3.620 . 5.440 4.234 4.002 4.398 . 0 0 "[ . 1 . 2]" 1
276 1 33 ALA MB 1 77 ILE QG 3.955 . 6.110 4.338 4.182 4.638 . 0 0 "[ . 1 . 2]" 1
277 1 33 ALA MB 1 81 ALA MB 3.725 . 5.650 3.652 3.577 3.713 . 0 0 "[ . 1 . 2]" 1
278 1 33 ALA MB 1 82 VAL HA 3.210 . 4.620 3.759 3.605 3.876 . 0 0 "[ . 1 . 2]" 1
279 1 33 ALA MB 1 82 VAL MG1 3.610 . 5.420 2.085 1.912 2.208 . 0 0 "[ . 1 . 2]" 1
280 1 33 ALA MB 1 82 VAL MG2 4.485 . 7.170 4.384 4.246 4.493 . 0 0 "[ . 1 . 2]" 1
281 1 34 CYS H 1 35 CYS H 2.905 . 4.905 4.227 2.374 4.446 . 0 0 "[ . 1 . 2]" 1
282 1 34 CYS H 1 82 VAL HA 2.830 . 3.860 2.595 2.269 2.844 . 0 0 "[ . 1 . 2]" 1
283 1 34 CYS H 1 82 VAL MG1 3.770 . 5.740 3.306 3.155 3.534 . 0 0 "[ . 1 . 2]" 1
284 1 34 CYS H 1 83 GLU H 3.440 . 5.080 4.175 3.545 4.662 . 0 0 "[ . 1 . 2]" 1
285 1 34 CYS H 1 83 GLU HG2 3.665 . 5.530 4.947 3.705 5.548 0.018 20 0 "[ . 1 . 2]" 1
286 1 34 CYS HA 1 48 GLN HG3 2.775 . 3.750 2.969 2.443 3.575 . 0 0 "[ . 1 . 2]" 1
287 1 34 CYS HB3 1 35 CYS H 3.555 . 5.310 3.842 3.764 4.292 . 0 0 "[ . 1 . 2]" 1
288 1 35 CYS H 1 36 ASP H 3.395 . 4.990 4.400 4.208 4.523 . 0 0 "[ . 1 . 2]" 1
289 1 35 CYS H 1 37 VAL MG1 3.810 . 5.820 4.540 3.077 4.818 . 0 0 "[ . 1 . 2]" 1
290 1 35 CYS H 1 48 GLN HB2 3.260 . 4.720 2.679 1.881 3.669 . 0 0 "[ . 1 . 2]" 1
291 1 35 CYS H 1 48 GLN HB3 3.415 . 5.030 3.963 3.345 5.036 0.006 20 0 "[ . 1 . 2]" 1
292 1 35 CYS H 1 48 GLN HG3 3.410 . 5.020 1.941 1.739 4.072 0.061 10 0 "[ . 1 . 2]" 1
293 1 35 CYS H 1 49 GLY H 3.650 . 5.500 4.371 3.735 5.493 . 0 0 "[ . 1 . 2]" 1
294 1 35 CYS HA 1 36 ASP H 2.495 . 3.190 2.464 2.292 2.618 . 0 0 "[ . 1 . 2]" 1
295 1 35 CYS HA 1 48 GLN HA 3.090 . 4.380 4.043 3.207 4.427 0.047 5 0 "[ . 1 . 2]" 1
296 1 35 CYS HA 1 48 GLN HB2 2.635 . 3.470 2.763 2.349 3.240 . 0 0 "[ . 1 . 2]" 1
297 1 35 CYS HA 1 48 GLN HB3 3.340 . 4.880 4.297 3.886 4.680 . 0 0 "[ . 1 . 2]" 1
298 1 35 CYS HA 1 48 GLN HG2 3.650 . 5.500 4.428 4.066 4.927 . 0 0 "[ . 1 . 2]" 1
299 1 35 CYS HA 1 48 GLN HG3 2.895 . 3.990 3.065 2.434 3.674 . 0 0 "[ . 1 . 2]" 1
300 1 35 CYS HB2 1 36 ASP H 3.225 . 4.650 3.297 2.508 3.590 . 0 0 "[ . 1 . 2]" 1
301 1 35 CYS HB2 1 37 VAL MG1 3.485 . 5.170 3.177 2.476 3.723 . 0 0 "[ . 1 . 2]" 1
302 1 36 ASP H 1 37 VAL HA 3.650 . 5.500 5.183 4.966 5.371 . 0 0 "[ . 1 . 2]" 1
303 1 36 ASP H 1 37 VAL MG1 3.745 . 5.690 4.403 4.203 4.639 . 0 0 "[ . 1 . 2]" 1
304 1 36 ASP H 1 48 GLN HB2 2.785 . 3.770 3.860 3.733 3.945 0.175 5 0 "[ . 1 . 2]" 1
305 1 36 ASP HA 1 37 VAL MG1 3.335 . 4.870 3.597 3.406 3.737 . 0 0 "[ . 1 . 2]" 1
306 1 36 ASP HA 1 37 VAL MG2 3.435 . 5.070 3.854 3.609 4.046 . 0 0 "[ . 1 . 2]" 1
307 1 36 ASP HB2 1 37 VAL H 3.545 . 5.290 4.229 3.370 4.499 . 0 0 "[ . 1 . 2]" 1
308 1 36 ASP HB3 1 37 VAL H 3.545 . 5.290 4.112 3.436 4.389 . 0 0 "[ . 1 . 2]" 1
309 1 37 VAL H 1 46 PHE QD 4.715 . 7.630 4.822 4.364 5.885 . 0 0 "[ . 1 . 2]" 1
310 1 37 VAL H 1 46 PHE QE 4.715 . 7.630 4.754 4.445 5.821 . 0 0 "[ . 1 . 2]" 1
311 1 37 VAL H 1 47 LYS HG2 3.895 . 5.990 5.964 5.686 6.066 0.076 18 0 "[ . 1 . 2]" 1
312 1 37 VAL H 1 81 ALA MB 4.140 . 6.480 5.187 5.027 5.253 . 0 0 "[ . 1 . 2]" 1
313 1 37 VAL HA 1 38 LYS HA 3.160 . 4.520 4.308 4.241 4.374 . 0 0 "[ . 1 . 2]" 1
314 1 37 VAL HA 1 46 PHE QE 4.660 . 7.520 5.049 4.737 5.504 . 0 0 "[ . 1 . 2]" 1
315 1 37 VAL HB 1 38 LYS H 3.100 . 4.400 2.567 2.410 2.706 . 0 0 "[ . 1 . 2]" 1
316 1 37 VAL HB 1 46 PHE QD 4.715 . 7.630 4.881 4.599 5.048 . 0 0 "[ . 1 . 2]" 1
317 1 37 VAL HB 1 46 PHE QE 3.975 . 6.150 3.137 2.881 3.437 . 0 0 "[ . 1 . 2]" 1
318 1 37 VAL MG1 1 38 LYS H 3.485 . 5.170 3.797 3.629 3.948 . 0 0 "[ . 1 . 2]" 1
319 1 37 VAL MG1 1 46 PHE QD 4.335 . 6.870 3.496 2.882 4.257 . 0 0 "[ . 1 . 2]" 1
320 1 37 VAL MG1 1 46 PHE QE 3.890 . 5.980 2.161 1.477 3.591 0.323 17 0 "[ . 1 . 2]" 1
321 1 37 VAL MG1 1 46 PHE HZ 3.305 . 4.810 3.536 3.226 3.778 . 0 0 "[ . 1 . 2]" 1
322 1 37 VAL MG1 1 81 ALA MB 3.550 . 5.300 1.808 1.650 2.304 0.150 15 0 "[ . 1 . 2]" 1
323 1 37 VAL MG2 1 38 LYS H 3.580 . 5.360 3.355 3.205 3.442 . 0 0 "[ . 1 . 2]" 1
324 1 37 VAL MG2 1 38 LYS HA 3.675 . 5.550 4.187 3.992 4.363 . 0 0 "[ . 1 . 2]" 1
325 1 37 VAL MG2 1 39 GLY H 3.580 . 5.360 2.633 2.309 3.152 . 0 0 "[ . 1 . 2]" 1
326 1 37 VAL MG2 1 39 GLY HA2 3.435 . 5.070 3.034 2.672 3.445 . 0 0 "[ . 1 . 2]" 1
327 1 37 VAL MG2 1 39 GLY HA3 3.435 . 5.070 2.540 2.313 2.755 . 0 0 "[ . 1 . 2]" 1
328 1 37 VAL MG2 1 45 SER HA 3.750 . 5.700 4.442 3.451 4.878 . 0 0 "[ . 1 . 2]" 1
329 1 37 VAL MG2 1 46 PHE QD 4.590 . 7.380 2.433 2.271 2.562 . 0 0 "[ . 1 . 2]" 1
330 1 37 VAL MG2 1 46 PHE QE 4.120 . 6.440 1.534 1.146 2.181 0.654 7 2 "[ . + 1 . - 2]" 1
331 1 37 VAL MG2 1 46 PHE HZ 3.080 . 4.360 3.306 3.260 3.378 . 0 0 "[ . 1 . 2]" 1
332 1 37 VAL MG2 1 78 LYS H 4.160 . 6.520 5.283 4.963 5.419 . 0 0 "[ . 1 . 2]" 1
333 1 37 VAL MG2 1 81 ALA HA 3.965 . 6.130 5.046 4.741 5.191 . 0 0 "[ . 1 . 2]" 1
334 1 37 VAL MG2 1 81 ALA MB 3.625 . 5.450 3.081 2.853 3.315 . 0 0 "[ . 1 . 2]" 1
335 1 38 LYS H 1 39 GLY H 2.535 . 3.270 2.917 2.680 3.266 . 0 0 "[ . 1 . 2]" 1
336 1 38 LYS HA 1 39 GLY H 2.645 . 3.490 3.559 3.514 3.585 0.095 13 0 "[ . 1 . 2]" 1
337 1 38 LYS HG2 1 39 GLY H 3.430 . 5.060 3.328 2.438 3.895 . 0 0 "[ . 1 . 2]" 1
338 1 38 LYS HG2 1 39 GLY HA2 3.875 . 5.950 5.456 3.977 6.077 0.127 2 0 "[ . 1 . 2]" 1
339 1 38 LYS HG2 1 81 ALA MB 4.520 . 7.240 5.057 3.806 6.135 . 0 0 "[ . 1 . 2]" 1
340 1 39 GLY H 1 46 PHE HZ 3.650 . 5.500 5.391 4.889 5.547 0.047 18 0 "[ . 1 . 2]" 1
341 1 39 GLY H 1 81 ALA MB 3.590 . 5.380 4.588 4.426 4.647 . 0 0 "[ . 1 . 2]" 1
342 1 39 GLY HA2 1 40 GLY H 2.620 . 3.440 2.684 2.615 2.736 . 0 0 "[ . 1 . 2]" 1
343 1 39 GLY HA2 1 43 GLU HA 3.920 . 6.040 4.781 4.257 5.196 . 0 0 "[ . 1 . 2]" 1
344 1 39 GLY HA2 1 43 GLU HB2 3.105 . 4.410 2.487 2.046 2.947 . 0 0 "[ . 1 . 2]" 1
345 1 39 GLY HA2 1 43 GLU HB3 3.105 . 4.410 2.527 2.049 2.786 . 0 0 "[ . 1 . 2]" 1
346 1 39 GLY HA2 1 44 LEU H 3.780 . 5.760 3.932 3.274 4.303 . 0 0 "[ . 1 . 2]" 1
347 1 39 GLY HA3 1 40 GLY H 2.620 . 3.440 3.504 3.485 3.529 0.089 14 0 "[ . 1 . 2]" 1
348 1 39 GLY HA3 1 43 GLU HB2 3.105 . 4.410 3.880 3.389 4.320 . 0 0 "[ . 1 . 2]" 1
349 1 39 GLY HA3 1 43 GLU HB3 3.105 . 4.410 4.211 3.653 4.438 0.028 5 0 "[ . 1 . 2]" 1
350 1 40 GLY H 1 43 GLU H 3.005 . 4.210 4.126 3.808 4.223 0.013 17 0 "[ . 1 . 2]" 1
351 1 40 GLY H 1 43 GLU HB2 2.920 . 4.040 2.350 2.115 2.607 . 0 0 "[ . 1 . 2]" 1
352 1 40 GLY H 1 43 GLU HB3 2.920 . 4.040 3.519 3.056 3.852 . 0 0 "[ . 1 . 2]" 1
353 1 41 LYS HA 1 43 GLU H 2.905 . 4.010 3.931 3.747 4.099 0.089 12 0 "[ . 1 . 2]" 1
354 1 42 ASN H 1 43 GLU H 2.965 . 4.130 2.285 2.030 2.472 . 0 0 "[ . 1 . 2]" 1
355 1 42 ASN HA 1 76 TYR H 3.435 . 5.070 4.487 4.361 4.731 . 0 0 "[ . 1 . 2]" 1
356 1 42 ASN HB2 1 43 GLU H 3.440 . 5.080 4.299 4.100 4.462 . 0 0 "[ . 1 . 2]" 1
357 1 42 ASN HB2 1 76 TYR QD 3.970 . 6.140 2.308 1.601 2.746 0.199 1 0 "[ . 1 . 2]" 1
358 1 42 ASN HB3 1 76 TYR QD 3.970 . 6.140 3.899 3.342 4.344 . 0 0 "[ . 1 . 2]" 1
359 1 43 GLU H 1 76 TYR HB2 3.330 . 4.860 4.268 4.005 4.729 . 0 0 "[ . 1 . 2]" 1
360 1 43 GLU HA 1 75 GLY HA3 3.650 . 5.500 3.936 3.677 4.362 . 0 0 "[ . 1 . 2]" 1
361 1 43 GLU HA 1 76 TYR H 2.920 . 4.040 2.278 1.907 3.060 . 0 0 "[ . 1 . 2]" 1
362 1 43 GLU HA 1 76 TYR HB2 3.000 . 4.200 2.337 1.911 3.306 . 0 0 "[ . 1 . 2]" 1
363 1 44 LEU H 1 46 PHE QD 4.715 . 7.630 4.599 4.200 4.898 . 0 0 "[ . 1 . 2]" 1
364 1 44 LEU H 1 46 PHE HZ 3.535 . 5.270 4.570 3.724 4.951 . 0 0 "[ . 1 . 2]" 1
365 1 44 LEU H 1 75 GLY HA3 2.980 . 4.160 3.122 2.960 3.232 . 0 0 "[ . 1 . 2]" 1
366 1 44 LEU H 1 76 TYR H 3.260 . 4.720 3.421 3.162 3.973 . 0 0 "[ . 1 . 2]" 1
367 1 44 LEU H 1 77 ILE QG 3.370 . 4.940 3.668 3.507 3.906 . 0 0 "[ . 1 . 2]" 1
368 1 44 LEU HA 1 45 SER H 2.650 . 3.500 2.039 1.915 2.157 . 0 0 "[ . 1 . 2]" 1
369 1 44 LEU HA 1 45 SER HB2 3.770 . 5.740 4.575 4.209 5.580 . 0 0 "[ . 1 . 2]" 1
370 1 44 LEU HA 1 46 PHE QD 4.455 . 7.110 4.824 4.589 5.043 . 0 0 "[ . 1 . 2]" 1
371 1 44 LEU HA 1 75 GLY HA3 2.545 . 3.290 2.088 1.844 2.311 . 0 0 "[ . 1 . 2]" 1
372 1 44 LEU HB2 1 45 SER H 2.930 . 4.060 4.203 4.162 4.261 0.201 12 0 "[ . 1 . 2]" 1
373 1 44 LEU HB2 1 46 PHE QD 3.760 . 5.720 3.146 2.540 4.019 . 0 0 "[ . 1 . 2]" 1
374 1 44 LEU HB2 1 46 PHE QE 3.960 . 6.120 2.997 2.696 3.854 . 0 0 "[ . 1 . 2]" 1
375 1 44 LEU HB2 1 75 GLY HA2 2.960 . 4.120 4.217 4.188 4.255 0.135 20 0 "[ . 1 . 2]" 1
376 1 44 LEU HB2 1 75 GLY HA3 3.070 . 4.340 2.638 2.554 2.683 . 0 0 "[ . 1 . 2]" 1
377 1 44 LEU HB2 1 77 ILE QG 3.560 . 5.320 2.794 2.606 2.988 . 0 0 "[ . 1 . 2]" 1
378 1 44 LEU HB3 1 45 SER H 2.660 . 3.520 3.400 3.229 3.521 0.001 7 0 "[ . 1 . 2]" 1
379 1 44 LEU HB3 1 46 PHE QD 3.450 . 5.100 2.260 1.854 2.951 . 0 0 "[ . 1 . 2]" 1
380 1 44 LEU HB3 1 46 PHE QE 3.580 . 5.360 3.103 2.828 3.607 . 0 0 "[ . 1 . 2]" 1
381 1 44 LEU HB3 1 75 GLY HA3 3.005 . 4.210 3.734 3.635 3.818 . 0 0 "[ . 1 . 2]" 1
382 1 44 LEU HB3 1 77 ILE QG 3.360 . 4.920 3.675 3.433 3.838 . 0 0 "[ . 1 . 2]" 1
383 1 44 LEU MD1 1 46 PHE QE 4.080 . 6.360 3.078 2.695 3.680 . 0 0 "[ . 1 . 2]" 1
384 1 44 LEU MD1 1 52 ILE HB 3.050 . 4.300 3.017 2.818 3.129 . 0 0 "[ . 1 . 2]" 1
385 1 44 LEU MD1 1 52 ILE MD 3.395 . 4.990 2.693 2.489 2.885 . 0 0 "[ . 1 . 2]" 1
386 1 44 LEU MD1 1 67 GLY HA2 3.365 . 4.930 4.006 3.789 4.097 . 0 0 "[ . 1 . 2]" 1
387 1 44 LEU MD1 1 67 GLY HA3 3.250 . 4.700 2.773 2.513 2.874 . 0 0 "[ . 1 . 2]" 1
388 1 44 LEU MD1 1 68 ARG HA 2.980 . 4.160 2.268 2.055 2.441 . 0 0 "[ . 1 . 2]" 1
389 1 44 LEU MD1 1 69 THR H 3.490 . 5.180 2.683 2.403 2.951 . 0 0 "[ . 1 . 2]" 1
390 1 44 LEU MD1 1 74 TYR HA 3.250 . 4.700 3.168 2.981 3.414 . 0 0 "[ . 1 . 2]" 1
391 1 44 LEU MD1 1 75 GLY H 3.515 . 5.230 2.820 2.697 3.013 . 0 0 "[ . 1 . 2]" 1
392 1 44 LEU MD1 1 75 GLY HA2 3.705 . 5.610 4.461 4.272 4.619 . 0 0 "[ . 1 . 2]" 1
393 1 44 LEU MD1 1 75 GLY HA3 3.035 . 4.270 3.311 3.041 3.530 . 0 0 "[ . 1 . 2]" 1
394 1 44 LEU MD1 1 76 TYR H 4.125 . 6.450 5.138 5.000 5.233 . 0 0 "[ . 1 . 2]" 1
395 1 44 LEU MD1 1 77 ILE HA 4.105 . 6.410 5.003 4.625 5.206 . 0 0 "[ . 1 . 2]" 1
396 1 44 LEU MD2 1 45 SER H 3.300 . 4.800 1.867 1.693 2.160 0.107 13 0 "[ . 1 . 2]" 1
397 1 44 LEU MD2 1 45 SER HA 3.835 . 5.870 3.964 3.747 4.153 . 0 0 "[ . 1 . 2]" 1
398 1 44 LEU MD2 1 46 PHE HB2 3.525 . 5.250 3.814 3.431 4.072 . 0 0 "[ . 1 . 2]" 1
399 1 44 LEU MD2 1 46 PHE HB3 3.920 . 6.040 2.220 1.794 2.490 0.006 19 0 "[ . 1 . 2]" 1
400 1 44 LEU MD2 1 46 PHE QD 4.170 . 6.540 2.916 2.679 3.552 . 0 0 "[ . 1 . 2]" 1
401 1 44 LEU MD2 1 69 THR H 3.360 . 4.920 2.927 2.445 3.363 . 0 0 "[ . 1 . 2]" 1
402 1 44 LEU MD2 1 69 THR MG 3.120 . 4.440 1.853 1.762 1.973 0.038 20 0 "[ . 1 . 2]" 1
403 1 44 LEU MD2 1 73 SER H 3.910 . 6.020 4.016 3.688 4.406 . 0 0 "[ . 1 . 2]" 1
404 1 44 LEU MD2 1 73 SER HB2 3.640 . 5.480 2.561 2.094 3.065 . 0 0 "[ . 1 . 2]" 1
405 1 44 LEU HG 1 46 PHE QD 4.165 . 6.530 4.229 3.951 5.046 . 0 0 "[ . 1 . 2]" 1
406 1 44 LEU HG 1 46 PHE QE 4.485 . 7.170 5.074 4.762 5.744 . 0 0 "[ . 1 . 2]" 1
407 1 44 LEU HG 1 75 GLY H 3.245 . 4.690 2.649 2.392 2.791 . 0 0 "[ . 1 . 2]" 1
408 1 44 LEU HG 1 75 GLY HA2 2.930 . 4.060 3.453 3.221 3.727 . 0 0 "[ . 1 . 2]" 1
409 1 44 LEU HG 1 75 GLY HA3 3.155 . 4.510 2.006 1.784 2.357 0.016 13 0 "[ . 1 . 2]" 1
410 1 44 LEU HG 1 76 TYR H 3.570 . 5.340 4.813 4.638 5.102 . 0 0 "[ . 1 . 2]" 1
411 1 45 SER H 1 46 PHE QD 4.715 . 7.630 4.955 4.438 5.142 . 0 0 "[ . 1 . 2]" 1
412 1 45 SER HA 1 46 PHE H 2.560 . 3.320 2.458 2.117 2.811 . 0 0 "[ . 1 . 2]" 1
413 1 45 SER HB2 1 46 PHE H 3.535 . 5.270 4.340 4.096 4.557 . 0 0 "[ . 1 . 2]" 1
414 1 46 PHE H 1 47 LYS H 3.345 . 4.890 4.380 4.304 4.504 . 0 0 "[ . 1 . 2]" 1
415 1 46 PHE HA 1 50 GLU HB2 2.980 . 4.160 4.190 4.080 4.264 0.104 3 0 "[ . 1 . 2]" 1
416 1 46 PHE HB2 1 47 LYS H 2.850 . 3.900 1.922 1.697 2.461 0.103 7 0 "[ . 1 . 2]" 1
417 1 46 PHE HB2 1 47 LYS HD3 4.010 . 6.220 6.150 5.585 6.370 0.150 7 0 "[ . 1 . 2]" 1
418 1 46 PHE HB2 1 50 GLU H 3.305 . 4.810 4.501 4.274 4.839 0.029 19 0 "[ . 1 . 2]" 1
419 1 46 PHE HB2 1 50 GLU HB3 3.165 . 4.530 2.712 2.418 2.987 . 0 0 "[ . 1 . 2]" 1
420 1 46 PHE HB2 1 52 ILE MD 3.580 . 5.360 3.663 3.510 3.901 . 0 0 "[ . 1 . 2]" 1
421 1 46 PHE HB2 1 69 THR MG 3.930 . 6.060 3.293 2.793 3.735 . 0 0 "[ . 1 . 2]" 1
422 1 46 PHE HB3 1 47 LYS H 2.855 . 3.910 3.387 3.289 3.759 . 0 0 "[ . 1 . 2]" 1
423 1 46 PHE HB3 1 50 GLU HB2 3.580 . 5.360 4.021 3.782 4.390 . 0 0 "[ . 1 . 2]" 1
424 1 46 PHE HB3 1 50 GLU HB3 3.650 . 5.500 3.587 3.297 4.352 . 0 0 "[ . 1 . 2]" 1
425 1 46 PHE HB3 1 52 ILE MD 3.365 . 4.930 3.642 3.375 3.863 . 0 0 "[ . 1 . 2]" 1
426 1 46 PHE HB3 1 52 ILE MG 3.140 . 4.480 2.700 2.477 2.981 . 0 0 "[ . 1 . 2]" 1
427 1 46 PHE HB3 1 69 THR MG 3.440 . 5.080 2.453 2.131 2.803 . 0 0 "[ . 1 . 2]" 1
428 1 46 PHE QD 1 47 LYS H 4.585 . 7.370 3.292 2.839 4.111 . 0 0 "[ . 1 . 2]" 1
429 1 46 PHE QD 1 48 GLN HA 4.560 . 7.320 5.605 5.020 6.684 . 0 0 "[ . 1 . 2]" 1
430 1 46 PHE QD 1 50 GLU HB2 4.465 . 7.130 4.209 4.081 4.386 . 0 0 "[ . 1 . 2]" 1
431 1 46 PHE QD 1 50 GLU HB3 4.250 . 6.700 4.463 3.514 4.782 . 0 0 "[ . 1 . 2]" 1
432 1 46 PHE QD 1 52 ILE MD 4.305 . 6.810 2.260 1.499 2.661 0.301 8 0 "[ . 1 . 2]" 1
433 1 46 PHE QD 1 52 ILE MG 4.890 . 7.980 2.211 1.606 2.799 0.194 11 0 "[ . 1 . 2]" 1
434 1 46 PHE QD 1 69 THR MG 4.475 . 7.150 3.440 3.071 3.752 . 0 0 "[ . 1 . 2]" 1
435 1 46 PHE QD 1 77 ILE QG 4.490 . 7.180 3.337 3.016 3.715 . 0 0 "[ . 1 . 2]" 1
436 1 46 PHE QD 1 81 ALA MB 5.225 . 8.650 4.431 4.092 4.928 . 0 0 "[ . 1 . 2]" 1
437 1 46 PHE QD 1 82 VAL MG1 4.730 . 7.660 3.824 3.302 4.058 . 0 0 "[ . 1 . 2]" 1
438 1 46 PHE QE 1 52 ILE MD 4.520 . 7.240 2.648 2.212 3.116 . 0 0 "[ . 1 . 2]" 1
439 1 46 PHE QE 1 77 ILE HB 4.555 . 7.310 4.108 3.942 4.377 . 0 0 "[ . 1 . 2]" 1
440 1 46 PHE QE 1 77 ILE QG 3.705 . 5.610 1.399 1.162 2.191 0.638 4 10 "[** +* ** -*** 2]" 1
441 1 46 PHE QE 1 78 LYS H 4.715 . 7.630 4.448 4.120 4.875 . 0 0 "[ . 1 . 2]" 1
442 1 46 PHE QE 1 81 ALA MB 4.000 . 6.200 2.581 2.064 3.503 . 0 0 "[ . 1 . 2]" 1
443 1 46 PHE QE 1 82 VAL MG1 4.455 . 7.110 2.907 2.063 3.137 . 0 0 "[ . 1 . 2]" 1
444 1 46 PHE HZ 1 77 ILE QG 3.025 . 4.250 3.041 2.677 3.381 . 0 0 "[ . 1 . 2]" 1
445 1 46 PHE HZ 1 81 ALA MB 2.930 . 4.060 2.342 1.941 2.868 . 0 0 "[ . 1 . 2]" 1
446 1 46 PHE HZ 1 82 VAL MG1 3.300 . 4.800 3.025 2.794 3.399 . 0 0 "[ . 1 . 2]" 1
447 1 47 LYS H 1 50 GLU H 3.650 . 5.500 3.751 3.505 4.295 . 0 0 "[ . 1 . 2]" 1
448 1 47 LYS H 1 50 GLU HB2 3.035 . 4.270 2.125 2.003 2.391 . 0 0 "[ . 1 . 2]" 1
449 1 47 LYS HB2 1 48 GLN H 2.460 . 3.120 2.990 2.818 3.297 0.177 6 0 "[ . 1 . 2]" 1
450 1 47 LYS HB3 1 48 GLN H 2.460 . 3.120 1.860 1.730 2.819 0.070 13 0 "[ . 1 . 2]" 1
451 1 48 GLN H 1 49 GLY H 2.995 . 4.190 3.566 2.390 4.293 0.103 8 0 "[ . 1 . 2]" 1
452 1 48 GLN H 1 50 GLU HB2 3.115 . 4.430 4.711 4.673 4.824 0.394 5 0 "[ . 1 . 2]" 1
453 1 48 GLN HB3 1 49 GLY H 3.175 . 4.550 3.957 3.257 4.445 . 0 0 "[ . 1 . 2]" 1
454 1 48 GLN HG2 1 49 GLY H 3.045 . 4.290 3.743 3.256 3.896 . 0 0 "[ . 1 . 2]" 1
455 1 48 GLN HG2 1 49 GLY HA3 2.815 . 3.830 3.798 3.494 3.891 0.061 20 0 "[ . 1 . 2]" 1
456 1 48 GLN HG3 1 49 GLY H 3.080 . 4.360 3.856 3.156 4.536 0.176 15 0 "[ . 1 . 2]" 1
457 1 49 GLY H 1 50 GLU H 2.260 . 2.720 2.060 1.919 2.279 . 0 0 "[ . 1 . 2]" 1
458 1 50 GLU HB2 1 51 GLN H 2.985 . 4.170 4.207 3.834 4.271 0.101 5 0 "[ . 1 . 2]" 1
459 1 50 GLU HB2 1 52 ILE H 3.375 . 4.950 5.079 5.030 5.190 0.240 8 0 "[ . 1 . 2]" 1
460 1 50 GLU HB2 1 52 ILE MD 3.695 . 5.590 4.468 4.419 4.514 . 0 0 "[ . 1 . 2]" 1
461 1 50 GLU HB3 1 51 GLN H 2.715 . 3.630 3.224 2.465 3.654 0.024 8 0 "[ . 1 . 2]" 1
462 1 50 GLU HB3 1 52 ILE MD 3.640 . 5.480 4.166 3.346 4.345 . 0 0 "[ . 1 . 2]" 1
463 1 51 GLN H 1 52 ILE H 2.645 . 3.490 3.688 3.626 3.744 0.254 9 0 "[ . 1 . 2]" 1
464 1 51 GLN H 1 70 ALA MB 4.160 . 6.520 4.112 3.615 4.532 . 0 0 "[ . 1 . 2]" 1
465 1 51 GLN HA 1 52 ILE HA 3.190 . 4.580 4.308 4.254 4.347 . 0 0 "[ . 1 . 2]" 1
466 1 51 GLN HB2 1 52 ILE H 3.515 . 5.230 4.209 4.148 4.324 . 0 0 "[ . 1 . 2]" 1
467 1 51 GLN HB3 1 52 ILE H 3.155 . 4.510 3.845 3.688 4.182 . 0 0 "[ . 1 . 2]" 1
468 1 51 GLN HB3 1 70 ALA MB 3.435 . 5.070 3.494 2.683 4.140 . 0 0 "[ . 1 . 2]" 1
469 1 51 GLN HG2 1 70 ALA MB 4.160 . 6.520 5.023 3.649 5.381 . 0 0 "[ . 1 . 2]" 1
470 1 51 GLN HG3 1 70 ALA MB 4.160 . 6.520 4.705 3.887 5.284 . 0 0 "[ . 1 . 2]" 1
471 1 52 ILE H 1 53 GLU H 3.230 . 4.660 4.544 4.486 4.582 . 0 0 "[ . 1 . 2]" 1
472 1 52 ILE HA 1 53 GLU HG3 3.090 . 4.380 3.785 3.320 4.443 0.063 15 0 "[ . 1 . 2]" 1
473 1 52 ILE HA 1 69 THR H 3.355 . 4.910 4.601 4.410 4.826 . 0 0 "[ . 1 . 2]" 1
474 1 52 ILE HA 1 69 THR HA 2.770 . 3.740 2.240 1.977 2.463 . 0 0 "[ . 1 . 2]" 1
475 1 52 ILE HA 1 69 THR MG 3.560 . 5.320 3.861 3.469 4.128 . 0 0 "[ . 1 . 2]" 1
476 1 52 ILE HA 1 70 ALA MB 3.770 . 5.740 4.257 3.967 4.630 . 0 0 "[ . 1 . 2]" 1
477 1 52 ILE HB 1 53 GLU H 3.155 . 4.510 2.507 2.434 2.629 . 0 0 "[ . 1 . 2]" 1
478 1 52 ILE HB 1 68 ARG H 2.915 . 4.030 2.713 2.538 2.891 . 0 0 "[ . 1 . 2]" 1
479 1 52 ILE MD 1 53 GLU H 3.750 . 5.700 4.294 4.172 4.402 . 0 0 "[ . 1 . 2]" 1
480 1 52 ILE MD 1 53 GLU HA 3.825 . 5.850 4.926 4.864 5.002 . 0 0 "[ . 1 . 2]" 1
481 1 52 ILE MD 1 54 ILE MG 3.835 . 5.870 3.206 2.982 3.435 . 0 0 "[ . 1 . 2]" 1
482 1 52 ILE MD 1 69 THR HA 4.055 . 6.310 4.558 4.353 4.822 . 0 0 "[ . 1 . 2]" 1
483 1 52 ILE MD 1 69 THR MG 3.895 . 5.990 3.894 3.797 3.934 . 0 0 "[ . 1 . 2]" 1
484 1 52 ILE MD 1 77 ILE QG 3.345 . 4.890 2.818 2.632 3.095 . 0 0 "[ . 1 . 2]" 1
485 1 52 ILE MD 1 82 VAL MG1 3.550 . 5.300 1.432 1.331 1.569 0.469 16 0 "[ . 1 . 2]" 1
486 1 52 ILE MD 1 82 VAL MG2 3.845 . 5.890 3.087 2.983 3.207 . 0 0 "[ . 1 . 2]" 1
487 1 52 ILE HG12 1 53 GLU H 3.445 . 5.090 4.696 4.603 4.803 . 0 0 "[ . 1 . 2]" 1
488 1 52 ILE HG13 1 53 GLU H 3.090 . 4.380 3.762 3.652 3.935 . 0 0 "[ . 1 . 2]" 1
489 1 52 ILE HG13 1 53 GLU HG3 4.010 . 6.220 5.652 5.312 6.241 0.021 15 0 "[ . 1 . 2]" 1
490 1 52 ILE MG 1 53 GLU H 3.460 . 5.120 3.628 3.481 3.779 . 0 0 "[ . 1 . 2]" 1
491 1 52 ILE MG 1 68 ARG H 3.220 . 4.640 3.867 3.806 3.928 . 0 0 "[ . 1 . 2]" 1
492 1 52 ILE MG 1 68 ARG HA 3.705 . 5.610 4.248 4.042 4.431 . 0 0 "[ . 1 . 2]" 1
493 1 52 ILE MG 1 69 THR MG 3.300 . 4.800 1.897 1.720 2.031 0.080 6 0 "[ . 1 . 2]" 1
494 1 53 GLU H 1 54 ILE H 3.165 . 4.530 4.344 4.233 4.435 . 0 0 "[ . 1 . 2]" 1
495 1 53 GLU H 1 55 ILE MD 4.160 . 6.520 4.362 4.006 4.627 . 0 0 "[ . 1 . 2]" 1
496 1 53 GLU H 1 68 ARG H 2.410 . 3.020 2.548 2.389 2.709 . 0 0 "[ . 1 . 2]" 1
497 1 53 GLU H 1 68 ARG HB3 3.650 . 5.500 4.911 4.721 5.122 . 0 0 "[ . 1 . 2]" 1
498 1 53 GLU HA 1 54 ILE H 2.645 . 3.490 2.210 2.145 2.281 . 0 0 "[ . 1 . 2]" 1
499 1 53 GLU HA 1 54 ILE MD 3.245 . 4.690 3.512 3.115 3.735 . 0 0 "[ . 1 . 2]" 1
500 1 53 GLU HA 1 54 ILE MG 3.230 . 4.660 3.660 3.582 3.692 . 0 0 "[ . 1 . 2]" 1
501 1 53 GLU HA 1 55 ILE MD 4.135 . 6.470 4.832 4.267 5.310 . 0 0 "[ . 1 . 2]" 1
502 1 53 GLU HB3 1 55 ILE MD 4.285 . 6.770 4.127 3.149 5.598 . 0 0 "[ . 1 . 2]" 1
503 1 53 GLU HG3 1 54 ILE H 4.010 . 6.220 5.009 4.572 5.240 . 0 0 "[ . 1 . 2]" 1
504 1 53 GLU HG3 1 68 ARG H 3.630 . 5.460 5.009 3.552 5.567 0.107 8 0 "[ . 1 . 2]" 1
505 1 53 GLU HG3 1 68 ARG HG2 3.675 . 5.550 4.117 2.057 5.586 0.036 8 0 "[ . 1 . 2]" 1
506 1 54 ILE HA 1 55 ILE MD 3.630 . 5.460 2.536 2.343 2.769 . 0 0 "[ . 1 . 2]" 1
507 1 54 ILE HA 1 67 GLY HA2 2.660 . 3.520 1.757 1.697 1.814 0.103 20 0 "[ . 1 . 2]" 1
508 1 54 ILE HA 1 67 GLY HA3 2.805 . 3.810 3.252 3.060 3.342 . 0 0 "[ . 1 . 2]" 1
509 1 54 ILE HB 1 65 TRP HB2 3.280 . 4.760 4.132 3.692 4.495 . 0 0 "[ . 1 . 2]" 1
510 1 54 ILE HB 1 65 TRP HE3 3.520 . 5.240 3.870 3.575 4.342 . 0 0 "[ . 1 . 2]" 1
511 1 54 ILE MD 1 55 ILE H 3.670 . 5.540 4.496 4.320 4.601 . 0 0 "[ . 1 . 2]" 1
512 1 54 ILE MD 1 57 ILE MD 3.395 . 4.990 2.920 2.372 3.353 . 0 0 "[ . 1 . 2]" 1
513 1 54 ILE MD 1 65 TRP HE3 3.265 . 4.730 3.281 2.829 3.633 . 0 0 "[ . 1 . 2]" 1
514 1 54 ILE MD 1 65 TRP HZ3 3.330 . 4.860 3.382 3.083 3.677 . 0 0 "[ . 1 . 2]" 1
515 1 54 ILE MD 1 67 GLY HA2 3.745 . 5.690 4.727 4.661 4.772 . 0 0 "[ . 1 . 2]" 1
516 1 54 ILE MD 1 84 ILE MD 3.250 . 4.700 1.865 1.736 2.141 0.064 17 0 "[ . 1 . 2]" 1
517 1 54 ILE HG12 1 55 ILE H 3.735 . 5.670 3.872 3.488 4.034 . 0 0 "[ . 1 . 2]" 1
518 1 54 ILE HG12 1 57 ILE HA 3.610 . 5.420 4.965 4.631 5.225 . 0 0 "[ . 1 . 2]" 1
519 1 54 ILE HG12 1 57 ILE MD 3.560 . 5.320 2.474 2.203 2.931 . 0 0 "[ . 1 . 2]" 1
520 1 54 ILE HG12 1 65 TRP HE3 3.620 . 5.440 4.183 3.878 4.624 . 0 0 "[ . 1 . 2]" 1
521 1 54 ILE MG 1 57 ILE MD 3.985 . 6.170 3.903 3.681 4.105 . 0 0 "[ . 1 . 2]" 1
522 1 54 ILE MG 1 65 TRP HB2 3.290 . 4.780 3.227 2.796 3.595 . 0 0 "[ . 1 . 2]" 1
523 1 54 ILE MG 1 65 TRP HB3 3.350 . 4.900 2.931 2.589 3.186 . 0 0 "[ . 1 . 2]" 1
524 1 54 ILE MG 1 65 TRP HE3 3.050 . 4.300 2.441 2.239 2.772 . 0 0 "[ . 1 . 2]" 1
525 1 54 ILE MG 1 65 TRP HZ3 3.550 . 5.300 4.071 3.899 4.293 . 0 0 "[ . 1 . 2]" 1
526 1 54 ILE MG 1 67 GLY HA2 3.240 . 4.680 2.557 2.380 2.721 . 0 0 "[ . 1 . 2]" 1
527 1 54 ILE MG 1 67 GLY HA3 3.335 . 4.870 2.481 2.293 2.699 . 0 0 "[ . 1 . 2]" 1
528 1 54 ILE MG 1 77 ILE HB 3.330 . 4.860 3.501 3.241 3.730 . 0 0 "[ . 1 . 2]" 1
529 1 54 ILE MG 1 77 ILE QG 4.115 . 6.430 3.589 3.483 3.657 . 0 0 "[ . 1 . 2]" 1
530 1 54 ILE MG 1 84 ILE MD 3.275 . 4.750 2.331 2.170 2.560 . 0 0 "[ . 1 . 2]" 1
531 1 54 ILE MG 1 84 ILE HG13 3.570 . 5.340 4.217 3.449 4.352 . 0 0 "[ . 1 . 2]" 1
532 1 55 ILE H 1 56 ARG H 2.975 . 4.150 2.109 1.975 2.246 . 0 0 "[ . 1 . 2]" 1
533 1 55 ILE H 1 66 LEU HB2 3.835 . 5.870 5.490 4.955 5.862 . 0 0 "[ . 1 . 2]" 1
534 1 55 ILE H 1 66 LEU MD1 3.695 . 5.590 3.030 2.675 4.380 . 0 0 "[ . 1 . 2]" 1
535 1 55 ILE H 1 67 GLY HA2 3.035 . 4.270 2.942 2.692 3.103 . 0 0 "[ . 1 . 2]" 1
536 1 55 ILE H 1 67 GLY HA3 3.650 . 5.500 4.586 4.337 4.720 . 0 0 "[ . 1 . 2]" 1
537 1 55 ILE HB 1 66 LEU MD1 3.515 . 5.230 2.921 1.846 4.302 . 0 0 "[ . 1 . 2]" 1
538 1 55 ILE MD 1 56 ARG H 3.405 . 5.010 3.795 3.307 4.064 . 0 0 "[ . 1 . 2]" 1
539 1 55 ILE MD 1 66 LEU MD1 3.690 . 5.580 2.454 1.984 3.382 . 0 0 "[ . 1 . 2]" 1
540 1 55 ILE MD 1 67 GLY HA2 3.615 . 5.430 2.931 2.554 3.301 . 0 0 "[ . 1 . 2]" 1
541 1 55 ILE MD 1 68 ARG HD2 3.140 . 4.480 3.357 2.167 3.656 . 0 0 "[ . 1 . 2]" 1
542 1 55 ILE MD 1 68 ARG HD3 3.140 . 4.480 2.342 1.928 3.017 . 0 0 "[ . 1 . 2]" 1
543 1 55 ILE MD 1 68 ARG HG2 3.880 . 5.960 2.227 1.779 2.652 0.021 15 0 "[ . 1 . 2]" 1
544 1 55 ILE MD 1 74 TYR QD 4.230 . 6.660 2.856 2.049 3.729 . 0 0 "[ . 1 . 2]" 1
545 1 55 ILE MD 1 74 TYR QE 3.910 . 6.020 2.573 2.065 3.399 . 0 0 "[ . 1 . 2]" 1
546 1 56 ARG H 1 65 TRP HB3 3.650 . 5.500 4.432 4.242 4.677 . 0 0 "[ . 1 . 2]" 1
547 1 56 ARG H 1 66 LEU H 2.905 . 4.010 3.278 2.967 3.646 . 0 0 "[ . 1 . 2]" 1
548 1 56 ARG H 1 66 LEU HB2 3.700 . 5.600 4.601 3.769 5.401 . 0 0 "[ . 1 . 2]" 1
549 1 56 ARG H 1 66 LEU MD1 3.620 . 5.440 3.291 2.734 4.025 . 0 0 "[ . 1 . 2]" 1
550 1 56 ARG H 1 67 GLY HA2 3.560 . 5.320 4.511 4.194 4.722 . 0 0 "[ . 1 . 2]" 1
551 1 56 ARG HA 1 66 LEU MD1 4.000 . 6.200 4.734 4.431 4.979 . 0 0 "[ . 1 . 2]" 1
552 1 56 ARG HB3 1 66 LEU H 3.520 . 5.240 2.728 2.219 3.276 . 0 0 "[ . 1 . 2]" 1
553 1 56 ARG HB3 1 66 LEU HB2 3.605 . 5.410 2.769 2.169 3.279 . 0 0 "[ . 1 . 2]" 1
554 1 56 ARG HB3 1 66 LEU HG 3.565 . 5.330 3.753 3.332 4.206 . 0 0 "[ . 1 . 2]" 1
555 1 56 ARG HD2 1 58 THR H 3.650 . 5.500 5.450 5.220 5.686 0.186 18 0 "[ . 1 . 2]" 1
556 1 56 ARG HD2 1 66 LEU HB2 3.985 . 6.170 3.054 2.282 4.347 . 0 0 "[ . 1 . 2]" 1
557 1 56 ARG HD2 1 66 LEU HG 3.605 . 5.410 3.878 3.213 4.586 . 0 0 "[ . 1 . 2]" 1
558 1 56 ARG HD3 1 58 THR H 3.650 . 5.500 5.134 4.050 5.564 0.064 6 0 "[ . 1 . 2]" 1
559 1 56 ARG HG2 1 58 THR H 3.335 . 4.870 3.376 3.012 3.652 . 0 0 "[ . 1 . 2]" 1
560 1 57 ILE H 1 58 THR H 3.060 . 4.320 4.049 3.891 4.296 . 0 0 "[ . 1 . 2]" 1
561 1 57 ILE H 1 58 THR MG 3.830 . 5.860 4.383 3.485 4.761 . 0 0 "[ . 1 . 2]" 1
562 1 57 ILE HA 1 58 THR MG 3.850 . 5.900 4.327 3.619 4.908 . 0 0 "[ . 1 . 2]" 1
563 1 57 ILE HA 1 65 TRP HA 2.925 . 4.050 3.735 3.379 3.964 . 0 0 "[ . 1 . 2]" 1
564 1 57 ILE HA 1 65 TRP HE1 3.495 . 5.190 3.407 3.170 3.711 . 0 0 "[ . 1 . 2]" 1
565 1 57 ILE HA 1 65 TRP HZ2 3.200 . 4.600 4.627 4.521 4.699 0.099 14 0 "[ . 1 . 2]" 1
566 1 57 ILE HB 1 65 TRP HE1 3.640 . 5.480 5.113 4.875 5.475 . 0 0 "[ . 1 . 2]" 1
567 1 57 ILE HB 1 65 TRP HZ2 3.650 . 5.500 5.509 5.459 5.547 0.047 20 0 "[ . 1 . 2]" 1
568 1 57 ILE MD 1 58 THR H 4.040 . 6.280 4.052 3.887 4.227 . 0 0 "[ . 1 . 2]" 1
569 1 57 ILE MD 1 65 TRP HA 3.840 . 5.880 4.622 4.311 4.740 . 0 0 "[ . 1 . 2]" 1
570 1 57 ILE MD 1 65 TRP HE1 3.595 . 5.390 3.967 3.616 4.235 . 0 0 "[ . 1 . 2]" 1
571 1 57 ILE MD 1 65 TRP HE3 4.075 . 6.350 3.320 3.148 3.505 . 0 0 "[ . 1 . 2]" 1
572 1 57 ILE MD 1 65 TRP HH2 3.350 . 4.900 3.319 3.182 3.537 . 0 0 "[ . 1 . 2]" 1
573 1 57 ILE MD 1 65 TRP HZ2 3.385 . 4.970 3.333 2.940 3.572 . 0 0 "[ . 1 . 2]" 1
574 1 57 ILE MG 1 65 TRP HA 4.160 . 6.520 5.132 4.957 5.298 . 0 0 "[ . 1 . 2]" 1
575 1 57 ILE MG 1 65 TRP HE1 4.055 . 6.310 2.576 2.270 2.881 . 0 0 "[ . 1 . 2]" 1
576 1 57 ILE MG 1 65 TRP HH2 3.725 . 5.650 3.793 3.553 4.161 . 0 0 "[ . 1 . 2]" 1
577 1 58 THR H 1 65 TRP HB3 3.650 . 5.500 4.334 3.993 4.955 . 0 0 "[ . 1 . 2]" 1
578 1 58 THR H 1 66 LEU H 3.520 . 5.240 4.029 3.620 4.788 . 0 0 "[ . 1 . 2]" 1
579 1 58 THR HA 1 59 ASP H 2.575 . 3.350 2.151 2.088 2.282 . 0 0 "[ . 1 . 2]" 1
580 1 58 THR HA 1 60 ASN H 3.265 . 4.730 3.447 3.075 3.998 . 0 0 "[ . 1 . 2]" 1
581 1 58 THR MG 1 59 ASP H 3.615 . 5.430 3.271 2.511 3.899 . 0 0 "[ . 1 . 2]" 1
582 1 58 THR MG 1 60 ASN HB3 4.520 . 7.240 3.707 2.135 5.509 . 0 0 "[ . 1 . 2]" 1
583 1 58 THR MG 1 65 TRP HE1 4.160 . 6.520 5.292 4.329 5.563 . 0 0 "[ . 1 . 2]" 1
584 1 59 ASP H 1 60 ASN H 3.080 . 4.360 1.942 1.766 2.341 0.034 9 0 "[ . 1 . 2]" 1
585 1 62 GLU HB2 1 63 GLY H 3.615 . 5.430 3.260 2.631 4.287 . 0 0 "[ . 1 . 2]" 1
586 1 62 GLU HB3 1 63 GLY H 3.615 . 5.430 3.514 2.119 4.397 . 0 0 "[ . 1 . 2]" 1
587 1 63 GLY H 1 64 LYS H 3.250 . 4.700 2.486 2.047 2.663 . 0 0 "[ . 1 . 2]" 1
588 1 63 GLY HA2 1 64 LYS HG2 3.180 . 4.560 4.612 4.569 4.685 0.125 13 0 "[ . 1 . 2]" 1
589 1 64 LYS H 1 65 TRP H 3.170 . 4.540 4.334 4.212 4.416 . 0 0 "[ . 1 . 2]" 1
590 1 64 LYS H 1 65 TRP HD1 3.650 . 5.500 4.526 4.286 4.866 . 0 0 "[ . 1 . 2]" 1
591 1 64 LYS H 1 76 TYR QD 4.715 . 7.630 4.675 3.865 5.443 . 0 0 "[ . 1 . 2]" 1
592 1 64 LYS H 1 79 THR MG 4.160 . 6.520 5.180 4.755 5.416 . 0 0 "[ . 1 . 2]" 1
593 1 64 LYS HA 1 78 LYS HA 2.660 . 3.520 3.064 2.460 3.432 . 0 0 "[ . 1 . 2]" 1
594 1 64 LYS HA 1 79 THR H 3.315 . 4.830 3.918 3.669 4.239 . 0 0 "[ . 1 . 2]" 1
595 1 64 LYS HA 1 79 THR MG 3.275 . 4.750 3.349 2.980 3.511 . 0 0 "[ . 1 . 2]" 1
596 1 64 LYS HB2 1 65 TRP H 2.870 . 3.940 3.558 3.050 3.781 . 0 0 "[ . 1 . 2]" 1
597 1 64 LYS HB2 1 76 TYR H 3.650 . 5.500 5.484 5.221 5.566 0.066 8 0 "[ . 1 . 2]" 1
598 1 64 LYS HB2 1 76 TYR HB3 2.830 . 3.860 2.180 1.857 2.451 . 0 0 "[ . 1 . 2]" 1
599 1 64 LYS HB2 1 76 TYR QD 3.980 . 6.160 2.726 2.057 3.227 . 0 0 "[ . 1 . 2]" 1
600 1 64 LYS HB2 1 77 ILE H 3.155 . 4.510 3.595 3.194 4.243 . 0 0 "[ . 1 . 2]" 1
601 1 64 LYS HB3 1 65 TRP H 2.860 . 3.920 2.607 2.136 2.853 . 0 0 "[ . 1 . 2]" 1
602 1 64 LYS HB3 1 76 TYR HA 3.250 . 4.700 3.438 3.215 3.592 . 0 0 "[ . 1 . 2]" 1
603 1 64 LYS HB3 1 76 TYR HB2 3.040 . 4.280 3.700 3.508 3.867 . 0 0 "[ . 1 . 2]" 1
604 1 64 LYS HB3 1 76 TYR HB3 2.870 . 3.940 1.963 1.777 2.114 0.023 18 0 "[ . 1 . 2]" 1
605 1 64 LYS HB3 1 76 TYR QD 4.045 . 6.290 3.210 2.791 3.758 . 0 0 "[ . 1 . 2]" 1
606 1 64 LYS HD2 1 77 ILE HA 3.685 . 5.570 4.073 3.711 4.577 . 0 0 "[ . 1 . 2]" 1
607 1 64 LYS HD2 1 78 LYS H 3.320 . 4.840 3.217 2.907 3.638 . 0 0 "[ . 1 . 2]" 1
608 1 64 LYS HD2 1 78 LYS HA 3.080 . 4.360 2.762 2.499 3.411 . 0 0 "[ . 1 . 2]" 1
609 1 64 LYS HD3 1 78 LYS HA 3.080 . 4.360 2.540 2.218 2.962 . 0 0 "[ . 1 . 2]" 1
610 1 64 LYS HE2 1 78 LYS HA 3.620 . 5.440 4.402 3.450 5.144 . 0 0 "[ . 1 . 2]" 1
611 1 64 LYS HE3 1 78 LYS HA 3.620 . 5.440 4.155 3.181 5.300 . 0 0 "[ . 1 . 2]" 1
612 1 64 LYS HG2 1 76 TYR HB3 2.745 . 3.690 3.636 3.328 3.737 0.047 4 0 "[ . 1 . 2]" 1
613 1 64 LYS HG2 1 76 TYR QE 4.425 . 7.050 5.682 5.115 6.132 . 0 0 "[ . 1 . 2]" 1
614 1 64 LYS HG2 1 78 LYS HA 3.430 . 5.060 4.841 4.570 5.062 0.002 19 0 "[ . 1 . 2]" 1
615 1 64 LYS HG3 1 65 TRP H 3.385 . 4.970 4.935 4.519 5.073 0.103 15 0 "[ . 1 . 2]" 1
616 1 64 LYS HG3 1 76 TYR H 3.650 . 5.500 5.461 4.937 5.553 0.053 6 0 "[ . 1 . 2]" 1
617 1 64 LYS HG3 1 76 TYR HA 3.305 . 4.810 4.807 4.388 4.893 0.083 18 0 "[ . 1 . 2]" 1
618 1 64 LYS HG3 1 76 TYR HB2 3.045 . 4.290 3.291 2.711 3.540 . 0 0 "[ . 1 . 2]" 1
619 1 64 LYS HG3 1 76 TYR HB3 3.085 . 4.370 2.252 1.824 2.337 . 0 0 "[ . 1 . 2]" 1
620 1 64 LYS HG3 1 76 TYR QD 3.795 . 5.790 3.820 3.259 4.104 . 0 0 "[ . 1 . 2]" 1
621 1 64 LYS HG3 1 78 LYS HA 3.365 . 4.930 4.949 4.816 5.060 0.130 8 0 "[ . 1 . 2]" 1
622 1 65 TRP H 1 77 ILE H 2.435 . 3.070 2.560 2.268 2.776 . 0 0 "[ . 1 . 2]" 1
623 1 65 TRP H 1 77 ILE QG 3.930 . 6.060 4.497 4.324 4.696 . 0 0 "[ . 1 . 2]" 1
624 1 65 TRP H 1 78 LYS HA 3.025 . 4.250 4.022 3.718 4.244 . 0 0 "[ . 1 . 2]" 1
625 1 65 TRP H 1 79 THR H 3.480 . 5.160 4.546 4.302 4.814 . 0 0 "[ . 1 . 2]" 1
626 1 65 TRP H 1 79 THR MG 3.955 . 6.110 3.406 3.167 3.716 . 0 0 "[ . 1 . 2]" 1
627 1 65 TRP HA 1 79 THR MG 3.690 . 5.580 4.560 4.354 4.685 . 0 0 "[ . 1 . 2]" 1
628 1 65 TRP HB2 1 66 LEU H 3.225 . 4.650 3.887 3.737 4.080 . 0 0 "[ . 1 . 2]" 1
629 1 65 TRP HB2 1 77 ILE QG 3.760 . 5.720 4.356 4.228 4.499 . 0 0 "[ . 1 . 2]" 1
630 1 65 TRP HB2 1 79 THR MG 3.915 . 6.030 3.210 3.044 3.402 . 0 0 "[ . 1 . 2]" 1
631 1 65 TRP HB3 1 66 LEU H 2.860 . 3.920 2.625 2.412 2.937 . 0 0 "[ . 1 . 2]" 1
632 1 65 TRP HB3 1 77 ILE QG 4.010 . 6.220 4.914 4.823 4.981 . 0 0 "[ . 1 . 2]" 1
633 1 65 TRP HB3 1 82 VAL MG2 4.155 . 6.510 5.147 4.901 5.387 . 0 0 "[ . 1 . 2]" 1
634 1 65 TRP HD1 1 66 LEU H 3.220 . 4.640 4.183 3.999 4.350 . 0 0 "[ . 1 . 2]" 1
635 1 65 TRP HD1 1 79 THR MG 3.350 . 4.900 3.632 3.415 3.949 . 0 0 "[ . 1 . 2]" 1
636 1 65 TRP HE1 1 79 THR MG 3.630 . 5.460 3.380 3.207 3.667 . 0 0 "[ . 1 . 2]" 1
637 1 65 TRP HE3 1 79 THR HA 3.045 . 4.290 4.286 4.071 4.343 0.053 4 0 "[ . 1 . 2]" 1
638 1 65 TRP HE3 1 79 THR HB 3.410 . 5.020 5.015 4.752 5.065 0.045 10 0 "[ . 1 . 2]" 1
639 1 65 TRP HE3 1 82 VAL MG2 3.175 . 4.550 3.641 3.334 3.809 . 0 0 "[ . 1 . 2]" 1
640 1 65 TRP HE3 1 84 ILE MD 3.355 . 4.910 2.402 2.160 2.675 . 0 0 "[ . 1 . 2]" 1
641 1 65 TRP HE3 1 84 ILE HG12 3.285 . 4.770 4.038 2.867 4.372 . 0 0 "[ . 1 . 2]" 1
642 1 65 TRP HE3 1 84 ILE HG13 2.840 . 3.880 3.324 2.960 4.032 0.152 20 0 "[ . 1 . 2]" 1
643 1 65 TRP HE3 1 84 ILE MG 3.625 . 5.450 4.248 3.868 4.535 . 0 0 "[ . 1 . 2]" 1
644 1 65 TRP HH2 1 79 THR HB 3.390 . 4.980 4.779 4.573 4.977 . 0 0 "[ . 1 . 2]" 1
645 1 65 TRP HH2 1 79 THR MG 3.815 . 5.830 4.327 4.112 4.610 . 0 0 "[ . 1 . 2]" 1
646 1 65 TRP HH2 1 84 ILE MG 3.515 . 5.230 3.162 2.655 3.673 . 0 0 "[ . 1 . 2]" 1
647 1 65 TRP HZ2 1 79 THR HB 3.495 . 5.190 4.971 4.650 5.220 0.030 15 0 "[ . 1 . 2]" 1
648 1 65 TRP HZ2 1 79 THR MG 3.250 . 4.700 3.679 3.506 3.804 . 0 0 "[ . 1 . 2]" 1
649 1 65 TRP HZ3 1 82 VAL MG2 3.480 . 5.160 4.182 3.868 4.302 . 0 0 "[ . 1 . 2]" 1
650 1 65 TRP HZ3 1 84 ILE MD 3.925 . 6.050 2.200 1.961 2.336 . 0 0 "[ . 1 . 2]" 1
651 1 65 TRP HZ3 1 84 ILE HG12 2.725 . 3.650 3.163 1.725 3.463 0.075 14 0 "[ . 1 . 2]" 1
652 1 65 TRP HZ3 1 84 ILE HG13 3.650 . 5.500 1.999 1.722 3.374 0.078 7 0 "[ . 1 . 2]" 1
653 1 65 TRP HZ3 1 84 ILE MG 3.275 . 4.750 2.376 1.844 2.929 . 0 0 "[ . 1 . 2]" 1
654 1 66 LEU HA 1 75 GLY H 3.650 . 5.500 4.247 4.014 4.441 . 0 0 "[ . 1 . 2]" 1
655 1 66 LEU HA 1 76 TYR HA 3.045 . 4.290 2.496 2.224 2.681 . 0 0 "[ . 1 . 2]" 1
656 1 66 LEU HA 1 76 TYR QD 3.940 . 6.080 2.735 2.101 3.218 . 0 0 "[ . 1 . 2]" 1
657 1 66 LEU HB2 1 76 TYR QD 4.925 . 8.050 3.242 2.574 3.718 . 0 0 "[ . 1 . 2]" 1
658 1 66 LEU MD1 1 74 TYR QE 4.435 . 7.070 3.244 2.707 4.267 . 0 0 "[ . 1 . 2]" 1
659 1 66 LEU MD2 1 67 GLY HA2 4.160 . 6.520 4.014 3.768 4.128 . 0 0 "[ . 1 . 2]" 1
660 1 66 LEU MD2 1 68 ARG H 3.995 . 6.190 4.992 4.786 5.032 . 0 0 "[ . 1 . 2]" 1
661 1 66 LEU MD2 1 74 TYR HA 4.160 . 6.520 3.562 3.390 3.795 . 0 0 "[ . 1 . 2]" 1
662 1 66 LEU MD2 1 74 TYR HB2 3.205 . 4.610 3.438 3.182 3.783 . 0 0 "[ . 1 . 2]" 1
663 1 66 LEU MD2 1 74 TYR HB3 3.870 . 5.940 2.049 1.788 2.371 0.012 13 0 "[ . 1 . 2]" 1
664 1 66 LEU MD2 1 74 TYR QD 4.400 . 7.000 2.753 2.077 3.318 . 0 0 "[ . 1 . 2]" 1
665 1 66 LEU MD2 1 74 TYR QE 5.055 . 8.310 4.655 3.612 5.246 . 0 0 "[ . 1 . 2]" 1
666 1 66 LEU MD2 1 75 GLY H 3.870 . 5.940 2.480 2.303 2.886 . 0 0 "[ . 1 . 2]" 1
667 1 66 LEU MD2 1 75 GLY HA2 3.590 . 5.380 3.338 3.081 4.013 . 0 0 "[ . 1 . 2]" 1
668 1 66 LEU MD2 1 75 GLY HA3 3.850 . 5.900 4.089 3.878 4.670 . 0 0 "[ . 1 . 2]" 1
669 1 66 LEU MD2 1 76 TYR H 4.160 . 6.520 3.803 3.408 4.678 . 0 0 "[ . 1 . 2]" 1
670 1 66 LEU MD2 1 76 TYR HA 3.590 . 5.380 3.344 3.022 3.987 . 0 0 "[ . 1 . 2]" 1
671 1 66 LEU MD2 1 76 TYR QD 4.050 . 6.300 3.551 2.794 4.116 . 0 0 "[ . 1 . 2]" 1
672 1 66 LEU MD2 1 77 ILE H 4.160 . 6.520 4.888 4.617 5.226 . 0 0 "[ . 1 . 2]" 1
673 1 66 LEU HG 1 74 TYR QD 4.350 . 6.900 4.151 3.812 4.690 . 0 0 "[ . 1 . 2]" 1
674 1 66 LEU HG 1 76 TYR QD 4.065 . 6.330 4.966 3.712 5.242 . 0 0 "[ . 1 . 2]" 1
675 1 67 GLY HA2 1 68 ARG HB3 3.385 . 4.970 4.376 4.194 4.588 . 0 0 "[ . 1 . 2]" 1
676 1 67 GLY HA2 1 77 ILE QG 4.010 . 6.220 4.376 4.123 4.524 . 0 0 "[ . 1 . 2]" 1
677 1 67 GLY HA3 1 77 ILE QG 3.150 . 4.500 2.996 2.743 3.185 . 0 0 "[ . 1 . 2]" 1
678 1 68 ARG H 1 75 GLY H 3.155 . 4.510 4.583 4.550 4.615 0.105 7 0 "[ . 1 . 2]" 1
679 1 68 ARG HA 1 69 THR H 2.685 . 3.570 2.231 2.168 2.294 . 0 0 "[ . 1 . 2]" 1
680 1 68 ARG HA 1 69 THR MG 3.645 . 5.490 3.871 3.626 4.098 . 0 0 "[ . 1 . 2]" 1
681 1 68 ARG HA 1 73 SER H 3.025 . 4.250 4.235 4.074 4.298 0.048 15 0 "[ . 1 . 2]" 1
682 1 68 ARG HA 1 74 TYR HA 2.455 . 3.110 1.903 1.783 2.030 0.017 2 0 "[ . 1 . 2]" 1
683 1 68 ARG HA 1 74 TYR HB2 3.480 . 5.160 4.828 4.729 4.904 . 0 0 "[ . 1 . 2]" 1
684 1 68 ARG HA 1 74 TYR QD 4.295 . 6.790 4.055 3.914 4.193 . 0 0 "[ . 1 . 2]" 1
685 1 68 ARG HA 1 75 GLY H 2.870 . 3.940 3.257 3.184 3.334 . 0 0 "[ . 1 . 2]" 1
686 1 68 ARG HB2 1 69 THR H 2.965 . 4.130 3.024 2.872 3.212 . 0 0 "[ . 1 . 2]" 1
687 1 68 ARG HB2 1 72 GLY H 3.650 . 5.500 4.292 4.019 4.648 . 0 0 "[ . 1 . 2]" 1
688 1 68 ARG HB2 1 73 SER H 3.495 . 5.190 3.895 3.493 4.165 . 0 0 "[ . 1 . 2]" 1
689 1 68 ARG HB2 1 74 TYR HA 2.980 . 4.160 3.258 3.004 3.401 . 0 0 "[ . 1 . 2]" 1
690 1 68 ARG HB2 1 74 TYR QD 4.290 . 6.780 3.600 3.336 3.803 . 0 0 "[ . 1 . 2]" 1
691 1 68 ARG HB2 1 74 TYR QE 3.885 . 5.970 3.725 3.495 3.966 . 0 0 "[ . 1 . 2]" 1
692 1 68 ARG HB2 1 75 GLY H 3.500 . 5.200 5.191 5.035 5.253 0.053 19 0 "[ . 1 . 2]" 1
693 1 68 ARG HB3 1 74 TYR HA 2.990 . 4.180 2.879 2.657 3.320 . 0 0 "[ . 1 . 2]" 1
694 1 68 ARG HB3 1 74 TYR QD 4.290 . 6.780 2.778 2.536 3.086 . 0 0 "[ . 1 . 2]" 1
695 1 68 ARG HB3 1 74 TYR QE 4.370 . 6.940 3.188 2.904 3.454 . 0 0 "[ . 1 . 2]" 1
696 1 68 ARG HD2 1 74 TYR QD 4.500 . 7.200 4.362 3.850 4.895 . 0 0 "[ . 1 . 2]" 1
697 1 68 ARG HD2 1 74 TYR QE 3.975 . 6.150 3.229 2.506 3.809 . 0 0 "[ . 1 . 2]" 1
698 1 68 ARG HD3 1 74 TYR QD 4.500 . 7.200 4.295 3.587 5.665 . 0 0 "[ . 1 . 2]" 1
699 1 68 ARG HD3 1 74 TYR QE 3.975 . 6.150 2.972 2.319 4.297 . 0 0 "[ . 1 . 2]" 1
700 1 68 ARG HG2 1 74 TYR QE 4.715 . 7.630 4.209 3.629 4.743 . 0 0 "[ . 1 . 2]" 1
701 1 68 ARG HG3 1 74 TYR QE 4.715 . 7.630 4.934 4.813 5.254 . 0 0 "[ . 1 . 2]" 1
702 1 69 THR H 1 70 ALA H 3.470 . 5.140 4.563 4.536 4.598 . 0 0 "[ . 1 . 2]" 1
703 1 69 THR H 1 72 GLY H 2.825 . 3.850 3.677 3.356 3.876 0.026 1 0 "[ . 1 . 2]" 1
704 1 69 THR H 1 73 SER H 2.770 . 3.740 2.613 2.418 2.733 . 0 0 "[ . 1 . 2]" 1
705 1 69 THR H 1 74 TYR HA 3.025 . 4.250 3.645 3.490 3.819 . 0 0 "[ . 1 . 2]" 1
706 1 69 THR HA 1 70 ALA HA 3.065 . 4.330 4.342 4.292 4.360 0.030 2 0 "[ . 1 . 2]" 1
707 1 69 THR HA 1 70 ALA MB 3.710 . 5.620 4.162 4.078 4.271 . 0 0 "[ . 1 . 2]" 1
708 1 69 THR HA 1 72 GLY H 3.455 . 5.110 4.476 4.280 4.697 . 0 0 "[ . 1 . 2]" 1
709 1 69 THR HB 1 70 ALA H 2.690 . 3.580 2.284 2.129 2.478 . 0 0 "[ . 1 . 2]" 1
710 1 69 THR HB 1 70 ALA HA 3.295 . 4.790 4.585 4.428 4.746 . 0 0 "[ . 1 . 2]" 1
711 1 69 THR HB 1 70 ALA MB 3.825 . 5.850 3.833 3.691 3.988 . 0 0 "[ . 1 . 2]" 1
712 1 69 THR MG 1 70 ALA H 3.330 . 4.860 3.509 3.329 3.721 . 0 0 "[ . 1 . 2]" 1
713 1 69 THR MG 1 73 SER H 3.390 . 4.980 3.722 3.424 4.042 . 0 0 "[ . 1 . 2]" 1
714 1 69 THR MG 1 73 SER HB2 3.335 . 4.870 3.015 2.368 3.907 . 0 0 "[ . 1 . 2]" 1
715 1 70 ALA H 1 71 ARG H 3.520 . 5.240 2.457 2.229 2.705 . 0 0 "[ . 1 . 2]" 1
716 1 70 ALA MB 1 71 ARG H 3.540 . 5.280 2.993 2.647 3.262 . 0 0 "[ . 1 . 2]" 1
717 1 70 ALA MB 1 71 ARG HA 3.455 . 5.110 4.053 3.947 4.158 . 0 0 "[ . 1 . 2]" 1
718 1 70 ALA MB 1 71 ARG HB2 4.065 . 6.330 4.756 4.160 5.175 . 0 0 "[ . 1 . 2]" 1
719 1 70 ALA MB 1 72 GLY H 3.880 . 5.960 4.410 4.188 4.648 . 0 0 "[ . 1 . 2]" 1
720 1 71 ARG H 1 72 GLY H 3.305 . 4.810 2.366 2.116 2.556 . 0 0 "[ . 1 . 2]" 1
721 1 71 ARG H 1 73 SER H 2.905 . 4.010 3.775 3.457 4.013 0.003 19 0 "[ . 1 . 2]" 1
722 1 71 ARG HB2 1 72 GLY H 3.365 . 4.930 3.399 2.812 4.099 . 0 0 "[ . 1 . 2]" 1
723 1 71 ARG HB2 1 73 SER H 3.410 . 5.020 3.698 2.789 5.048 0.028 18 0 "[ . 1 . 2]" 1
724 1 71 ARG HB3 1 72 GLY H 3.365 . 4.930 3.893 2.796 4.329 . 0 0 "[ . 1 . 2]" 1
725 1 72 GLY H 1 73 SER H 2.620 . 3.440 2.336 2.143 2.553 . 0 0 "[ . 1 . 2]" 1
726 1 72 GLY HA2 1 73 SER H 2.890 . 3.980 3.065 2.934 3.223 . 0 0 "[ . 1 . 2]" 1
727 1 72 GLY HA2 1 74 TYR QE 4.345 . 6.890 3.746 3.233 4.699 . 0 0 "[ . 1 . 2]" 1
728 1 72 GLY HA3 1 74 TYR QE 4.345 . 6.890 4.325 3.708 5.315 . 0 0 "[ . 1 . 2]" 1
729 1 73 SER H 1 74 TYR H 2.950 . 4.100 4.179 4.149 4.215 0.115 10 0 "[ . 1 . 2]" 1
730 1 73 SER HA 1 74 TYR QD 4.345 . 6.890 3.216 2.744 3.617 . 0 0 "[ . 1 . 2]" 1
731 1 73 SER HB2 1 74 TYR H 3.215 . 4.630 4.171 3.607 4.299 . 0 0 "[ . 1 . 2]" 1
732 1 73 SER HB3 1 74 TYR H 3.215 . 4.630 3.530 3.019 4.175 . 0 0 "[ . 1 . 2]" 1
733 1 74 TYR HB2 1 75 GLY H 3.350 . 4.900 3.960 3.862 4.101 . 0 0 "[ . 1 . 2]" 1
734 1 74 TYR HB3 1 75 GLY H 3.545 . 5.290 2.842 2.695 3.025 . 0 0 "[ . 1 . 2]" 1
735 1 74 TYR QD 1 75 GLY H 4.460 . 7.120 4.068 3.808 4.356 . 0 0 "[ . 1 . 2]" 1
736 1 75 GLY H 1 76 TYR H 3.165 . 4.530 4.360 4.293 4.406 . 0 0 "[ . 1 . 2]" 1
737 1 76 TYR HA 1 77 ILE HA 3.170 . 4.540 4.338 4.249 4.411 . 0 0 "[ . 1 . 2]" 1
738 1 76 TYR HA 1 77 ILE QG 3.615 . 5.430 3.195 2.992 3.400 . 0 0 "[ . 1 . 2]" 1
739 1 76 TYR HB2 1 77 ILE H 3.250 . 4.700 4.030 3.727 4.389 . 0 0 "[ . 1 . 2]" 1
740 1 76 TYR HB3 1 77 ILE H 2.960 . 4.120 2.832 2.392 3.466 . 0 0 "[ . 1 . 2]" 1
741 1 77 ILE H 1 79 THR MG 4.160 . 6.520 5.313 5.067 5.370 . 0 0 "[ . 1 . 2]" 1
742 1 77 ILE HA 1 78 LYS H 2.600 . 3.400 2.220 2.174 2.278 . 0 0 "[ . 1 . 2]" 1
743 1 77 ILE HA 1 81 ALA MB 3.365 . 4.930 3.669 3.350 3.962 . 0 0 "[ . 1 . 2]" 1
744 1 77 ILE HB 1 79 THR HA 3.060 . 4.320 4.348 4.247 4.388 0.068 1 0 "[ . 1 . 2]" 1
745 1 77 ILE HB 1 82 VAL MG1 3.495 . 5.190 4.010 3.888 4.119 . 0 0 "[ . 1 . 2]" 1
746 1 77 ILE QG 1 78 LYS H 3.655 . 5.510 4.255 4.116 4.383 . 0 0 "[ . 1 . 2]" 1
747 1 77 ILE QG 1 81 ALA MB 3.775 . 5.750 4.282 4.060 4.450 . 0 0 "[ . 1 . 2]" 1
748 1 77 ILE QG 1 82 VAL MG1 3.955 . 6.110 3.190 3.106 3.296 . 0 0 "[ . 1 . 2]" 1
749 1 77 ILE QG 1 82 VAL MG2 3.480 . 5.160 4.010 3.939 4.038 . 0 0 "[ . 1 . 2]" 1
750 1 78 LYS H 1 79 THR H 3.375 . 4.950 4.568 4.462 4.654 . 0 0 "[ . 1 . 2]" 1
751 1 78 LYS H 1 79 THR HA 3.650 . 5.500 5.292 5.149 5.418 . 0 0 "[ . 1 . 2]" 1
752 1 78 LYS H 1 81 ALA H 3.650 . 5.500 4.160 4.029 4.356 . 0 0 "[ . 1 . 2]" 1
753 1 78 LYS H 1 81 ALA MB 3.055 . 4.310 2.761 2.523 3.085 . 0 0 "[ . 1 . 2]" 1
754 1 78 LYS H 1 82 VAL MG1 4.160 . 6.520 4.744 4.550 4.932 . 0 0 "[ . 1 . 2]" 1
755 1 78 LYS HA 1 79 THR H 2.435 . 3.070 2.289 2.172 2.440 . 0 0 "[ . 1 . 2]" 1
756 1 78 LYS HA 1 79 THR MG 3.795 . 5.790 3.476 3.353 3.599 . 0 0 "[ . 1 . 2]" 1
757 1 78 LYS HA 1 80 THR MG 3.445 . 5.090 3.957 3.784 4.039 . 0 0 "[ . 1 . 2]" 1
758 1 78 LYS HB2 1 79 THR H 2.980 . 4.160 3.973 3.787 4.124 . 0 0 "[ . 1 . 2]" 1
759 1 78 LYS HB2 1 80 THR H 2.790 . 3.780 3.184 2.826 3.430 . 0 0 "[ . 1 . 2]" 1
760 1 78 LYS HB2 1 81 ALA H 2.640 . 3.480 2.589 2.277 2.900 . 0 0 "[ . 1 . 2]" 1
761 1 78 LYS HB3 1 79 THR H 3.340 . 4.880 3.015 2.837 3.177 . 0 0 "[ . 1 . 2]" 1
762 1 78 LYS HB3 1 79 THR MG 3.810 . 5.820 4.680 4.547 4.708 . 0 0 "[ . 1 . 2]" 1
763 1 78 LYS HB3 1 80 THR HB 3.305 . 4.810 4.443 4.156 4.669 . 0 0 "[ . 1 . 2]" 1
764 1 78 LYS HD2 1 81 ALA H 3.335 . 4.870 4.730 4.188 4.937 0.067 19 0 "[ . 1 . 2]" 1
765 1 79 THR H 1 80 THR H 2.785 . 3.770 2.614 2.466 2.751 . 0 0 "[ . 1 . 2]" 1
766 1 79 THR H 1 80 THR MG 3.630 . 5.460 3.432 3.223 3.635 . 0 0 "[ . 1 . 2]" 1
767 1 79 THR H 1 81 ALA MB 4.055 . 6.310 4.919 4.726 5.074 . 0 0 "[ . 1 . 2]" 1
768 1 79 THR HA 1 81 ALA H 3.485 . 5.170 3.828 3.674 3.985 . 0 0 "[ . 1 . 2]" 1
769 1 79 THR HA 1 82 VAL H 3.635 . 5.470 3.932 3.778 4.201 . 0 0 "[ . 1 . 2]" 1
770 1 79 THR HA 1 82 VAL MG1 4.160 . 6.520 4.748 4.503 4.989 . 0 0 "[ . 1 . 2]" 1
771 1 79 THR HA 1 82 VAL MG2 3.145 . 4.490 2.839 2.656 3.027 . 0 0 "[ . 1 . 2]" 1
772 1 79 THR HB 1 80 THR H 3.235 . 4.670 4.132 4.029 4.211 . 0 0 "[ . 1 . 2]" 1
773 1 79 THR HB 1 80 THR MG 4.160 . 6.520 5.206 4.950 5.292 . 0 0 "[ . 1 . 2]" 1
774 1 79 THR HB 1 82 VAL MG2 3.805 . 5.810 4.452 4.209 4.702 . 0 0 "[ . 1 . 2]" 1
775 1 79 THR MG 1 80 THR H 4.090 . 6.380 3.979 3.926 4.058 . 0 0 "[ . 1 . 2]" 1
776 1 79 THR MG 1 80 THR HA 4.160 . 6.520 5.492 5.441 5.520 . 0 0 "[ . 1 . 2]" 1
777 1 79 THR MG 1 80 THR MG 4.420 . 7.040 4.678 4.527 4.727 . 0 0 "[ . 1 . 2]" 1
778 1 79 THR MG 1 82 VAL MG2 4.240 . 6.680 4.098 3.907 4.297 . 0 0 "[ . 1 . 2]" 1
779 1 80 THR H 1 81 ALA H 2.675 . 3.550 2.130 2.051 2.235 . 0 0 "[ . 1 . 2]" 1
780 1 80 THR H 1 81 ALA MB 3.265 . 4.730 3.886 3.867 3.912 . 0 0 "[ . 1 . 2]" 1
781 1 80 THR HA 1 82 VAL H 3.110 . 4.420 3.597 3.451 3.698 . 0 0 "[ . 1 . 2]" 1
782 1 80 THR HB 1 81 ALA H 2.970 . 4.140 4.191 4.157 4.214 0.074 12 0 "[ . 1 . 2]" 1
783 1 80 THR MG 1 81 ALA H 3.670 . 5.540 2.570 2.447 2.723 . 0 0 "[ . 1 . 2]" 1
784 1 80 THR MG 1 82 VAL H 3.535 . 5.270 4.312 4.278 4.336 . 0 0 "[ . 1 . 2]" 1
785 1 81 ALA H 1 82 VAL H 2.675 . 3.550 2.349 2.194 2.469 . 0 0 "[ . 1 . 2]" 1
786 1 81 ALA H 1 82 VAL MG1 3.810 . 5.820 4.095 3.936 4.242 . 0 0 "[ . 1 . 2]" 1
787 1 81 ALA H 1 82 VAL MG2 3.605 . 5.410 3.629 3.481 3.756 . 0 0 "[ . 1 . 2]" 1
788 1 81 ALA MB 1 82 VAL MG1 3.560 . 5.320 2.718 2.545 2.908 . 0 0 "[ . 1 . 2]" 1
789 1 81 ALA MB 1 82 VAL MG2 3.820 . 5.840 3.538 3.316 3.670 . 0 0 "[ . 1 . 2]" 1
790 1 82 VAL H 1 83 GLU H 3.190 . 4.580 4.375 4.331 4.417 . 0 0 "[ . 1 . 2]" 1
791 1 82 VAL HA 1 83 GLU H 2.465 . 3.130 2.208 2.150 2.354 . 0 0 "[ . 1 . 2]" 1
792 1 82 VAL HB 1 83 GLU H 2.480 . 3.160 2.483 2.274 2.658 . 0 0 "[ . 1 . 2]" 1
793 1 82 VAL MG1 1 84 ILE MD 3.880 . 5.960 3.866 3.724 3.958 . 0 0 "[ . 1 . 2]" 1
794 1 82 VAL MG2 1 84 ILE HB 4.140 . 6.480 4.154 3.945 4.367 . 0 0 "[ . 1 . 2]" 1
795 1 82 VAL MG2 1 84 ILE MD 3.505 . 5.210 2.189 1.976 2.349 . 0 0 "[ . 1 . 2]" 1
796 1 82 VAL MG2 1 84 ILE HG13 3.500 . 5.200 3.295 2.815 4.218 . 0 0 "[ . 1 . 2]" 1
797 1 83 GLU H 1 84 ILE H 2.500 . 4.000 4.044 3.970 4.086 0.086 5 0 "[ . 1 . 2]" 1
798 1 83 GLU HB2 1 84 ILE H 3.255 . 4.710 4.276 3.736 4.407 . 0 0 "[ . 1 . 2]" 1
799 1 83 GLU HG2 1 84 ILE H 3.605 . 5.410 4.964 4.634 5.197 . 0 0 "[ . 1 . 2]" 1
800 1 84 ILE HB 1 85 ASP H 3.245 . 4.690 4.302 4.112 4.459 . 0 0 "[ . 1 . 2]" 1
801 1 84 ILE MD 1 85 ASP H 3.620 . 5.440 3.690 3.350 4.277 . 0 0 "[ . 1 . 2]" 1
802 1 84 ILE HG12 1 85 ASP H 3.445 . 5.090 4.947 4.558 5.099 0.009 4 0 "[ . 1 . 2]" 1
803 1 85 ASP HA 1 86 TYR H 2.570 . 3.340 2.100 1.777 2.302 0.023 12 0 "[ . 1 . 2]" 1
804 1 85 ASP HB2 1 86 TYR H 2.825 . 3.850 3.317 2.488 3.884 0.034 11 0 "[ . 1 . 2]" 1
805 1 85 ASP HB2 1 86 TYR HB2 3.890 . 5.980 5.730 4.909 6.098 0.118 12 0 "[ . 1 . 2]" 1
806 1 85 ASP HB3 1 86 TYR H 2.825 . 3.850 3.371 2.501 4.045 0.195 3 0 "[ . 1 . 2]" 1
807 1 86 TYR HA 1 87 ASP H 2.630 . 3.460 3.333 3.022 3.477 0.017 10 0 "[ . 1 . 2]" 1
808 1 86 TYR HB2 1 87 ASP H 3.210 . 4.620 3.499 2.587 4.425 . 0 0 "[ . 1 . 2]" 1
809 1 86 TYR HB3 1 87 ASP H 3.210 . 4.620 3.610 2.768 4.482 . 0 0 "[ . 1 . 2]" 1
810 1 86 TYR QD 1 87 ASP H 4.715 . 7.630 4.238 3.887 4.731 . 0 0 "[ . 1 . 2]" 1
811 1 87 ASP H 1 88 SER H 2.360 . 2.920 2.761 2.242 2.944 0.024 17 0 "[ . 1 . 2]" 1
812 1 87 ASP HA 1 88 SER H 2.685 . 3.570 3.492 3.245 3.582 0.012 13 0 "[ . 1 . 2]" 1
813 1 87 ASP HB3 1 88 SER H 3.405 . 5.010 3.075 2.262 3.977 . 0 0 "[ . 1 . 2]" 1
814 1 87 ASP HB3 1 88 SER HA 3.425 . 5.050 4.336 3.965 4.592 . 0 0 "[ . 1 . 2]" 1
815 1 87 ASP HB3 1 88 SER HB3 4.090 . 6.380 5.725 4.642 6.410 0.030 16 0 "[ . 1 . 2]" 1
816 1 88 SER HB3 1 89 LEU H 3.410 . 5.020 3.957 3.079 4.377 . 0 0 "[ . 1 . 2]" 1
817 1 88 SER HB3 1 89 LEU MD2 3.565 . 5.330 3.729 2.242 4.320 . 0 0 "[ . 1 . 2]" 1
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