NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404933 |
1x4o   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4o
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 843
_Distance_constraint_stats_list.Viol_count 975
_Distance_constraint_stats_list.Viol_total 1059.578
_Distance_constraint_stats_list.Viol_max 0.994
_Distance_constraint_stats_list.Viol_rms 0.0295
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0543
_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 8 LYS 0.054 0.029 1 0 "[ . 1 . 2]"
1 9 VAL 0.282 0.120 14 0 "[ . 1 . 2]"
1 10 SER 1.620 0.235 2 0 "[ . 1 . 2]"
1 11 PRO 1.459 0.235 2 0 "[ . 1 . 2]"
1 12 PRO 2.333 0.369 2 0 "[ . 1 . 2]"
1 13 GLU 0.084 0.074 15 0 "[ . 1 . 2]"
1 14 ASP 0.092 0.018 9 0 "[ . 1 . 2]"
1 15 GLU 0.027 0.012 7 0 "[ . 1 . 2]"
1 16 GLU 0.007 0.002 4 0 "[ . 1 . 2]"
1 17 ALA 0.426 0.020 16 0 "[ . 1 . 2]"
1 18 LYS 2.953 0.369 2 0 "[ . 1 . 2]"
1 19 ASN 1.083 0.083 19 0 "[ . 1 . 2]"
1 20 LEU 1.751 0.090 7 0 "[ . 1 . 2]"
1 21 ALA 0.481 0.046 7 0 "[ . 1 . 2]"
1 22 GLU 0.138 0.017 15 0 "[ . 1 . 2]"
1 23 LYS 1.158 0.114 8 0 "[ . 1 . 2]"
1 24 LEU 0.473 0.042 12 0 "[ . 1 . 2]"
1 25 ALA 0.337 0.057 7 0 "[ . 1 . 2]"
1 26 ARG 1.912 0.630 20 2 "[ - . 1 . +]"
1 27 PHE 0.434 0.061 12 0 "[ . 1 . 2]"
1 28 ILE 1.126 0.081 6 0 "[ . 1 . 2]"
1 29 ALA 3.295 0.653 20 3 "[ . 1 - . * +]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.655 0.046 2 0 "[ . 1 . 2]"
1 32 GLY 0.973 0.060 2 0 "[ . 1 . 2]"
1 33 PRO 0.469 0.060 2 0 "[ . 1 . 2]"
1 34 GLU 2.327 0.978 14 2 "[ . 1 +. -]"
1 35 VAL 1.164 0.081 6 0 "[ . 1 . 2]"
1 36 GLU 3.741 0.155 16 0 "[ . 1 . 2]"
1 37 THR 2.040 0.142 11 0 "[ . 1 . 2]"
1 38 ILE 2.468 0.978 14 2 "[ . 1 +. -]"
1 39 ALA 1.103 0.050 18 0 "[ . 1 . 2]"
1 40 LEU 3.552 0.142 11 0 "[ . 1 . 2]"
1 41 GLN 1.455 0.314 15 0 "[ . 1 . 2]"
1 42 ASN 0.812 0.447 20 0 "[ . 1 . 2]"
1 43 ASN 0.077 0.066 6 0 "[ . 1 . 2]"
1 44 ARG 0.054 0.029 10 0 "[ . 1 . 2]"
1 45 GLU 0.422 0.173 10 0 "[ . 1 . 2]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.022 0.007 1 0 "[ . 1 . 2]"
1 49 PHE 0.457 0.066 6 0 "[ . 1 . 2]"
1 50 SER 0.023 0.008 6 0 "[ . 1 . 2]"
1 51 PHE 3.178 0.921 6 4 "[* .+ *1 -. 2]"
1 52 LEU 2.622 0.177 10 0 "[ . 1 . 2]"
1 53 TYR 0.259 0.071 6 0 "[ . 1 . 2]"
1 54 ASP 0.033 0.033 4 0 "[ . 1 . 2]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASN 0.295 0.114 7 0 "[ . 1 . 2]"
1 57 SER 0.147 0.114 7 0 "[ . 1 . 2]"
1 58 GLN 0.198 0.086 7 0 "[ . 1 . 2]"
1 59 GLY 3.098 0.921 6 4 "[* .+ *1 -. 2]"
1 60 TYR 1.036 0.994 13 1 "[ . 1 + . 2]"
1 61 ARG 0.540 0.191 2 0 "[ . 1 . 2]"
1 62 TYR 2.931 0.514 5 2 "[ + 1 - 2]"
1 63 TYR 1.393 0.151 4 0 "[ . 1 . 2]"
1 64 ARG 2.147 0.994 13 1 "[ . 1 + . 2]"
1 65 GLN 1.208 0.224 4 0 "[ . 1 . 2]"
1 66 LYS 3.193 0.514 5 2 "[ + 1 - 2]"
1 67 LEU 0.459 0.057 7 0 "[ . 1 . 2]"
1 68 ASP 1.003 0.201 8 0 "[ . 1 . 2]"
1 69 GLU 9.300 0.436 13 0 "[ . 1 . 2]"
1 70 PHE 3.586 0.429 16 0 "[ . 1 . 2]"
1 71 ARG 4.194 0.653 20 3 "[ . 1 - . * +]"
1 72 LYS 0.111 0.035 2 0 "[ . 1 . 2]"
1 73 SER 0.017 0.017 2 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PRO 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 8 LYS HA 1 8 LYS HG2 . . 4.180 2.897 1.995 4.153 . 0 0 "[ . 1 . 2]" 1
2 1 8 LYS HA 1 9 VAL H . . 3.610 2.404 2.177 3.639 0.029 1 0 "[ . 1 . 2]" 1
3 1 8 LYS HA 1 9 VAL QG . . 5.020 3.598 3.092 4.388 . 0 0 "[ . 1 . 2]" 1
4 1 8 LYS HB2 1 9 VAL H . . 4.940 4.228 2.702 4.735 . 0 0 "[ . 1 . 2]" 1
5 1 9 VAL H 1 9 VAL QG . . 4.160 2.287 1.771 2.918 . 0 0 "[ . 1 . 2]" 1
6 1 9 VAL HA 1 9 VAL QG . . 3.200 2.225 2.040 2.385 . 0 0 "[ . 1 . 2]" 1
7 1 9 VAL HA 1 10 SER H . . 3.510 2.567 2.185 3.630 0.120 14 0 "[ . 1 . 2]" 1
8 1 9 VAL HB 1 10 SER H . . 4.830 3.221 1.990 4.561 . 0 0 "[ . 1 . 2]" 1
9 1 9 VAL QG 1 10 SER H . . 4.650 2.874 1.896 3.665 . 0 0 "[ . 1 . 2]" 1
10 1 9 VAL QG 1 58 GLN HA . . 5.280 4.398 3.470 5.077 . 0 0 "[ . 1 . 2]" 1
11 1 9 VAL QG 1 61 ARG QB . . 3.210 1.914 1.733 2.362 . 0 0 "[ . 1 . 2]" 1
12 1 9 VAL QG 1 61 ARG HD3 . . 4.620 2.461 1.960 3.206 . 0 0 "[ . 1 . 2]" 1
13 1 9 VAL QG 1 62 TYR H . . 4.470 3.509 3.086 3.894 . 0 0 "[ . 1 . 2]" 1
14 1 9 VAL QG 1 62 TYR HA . . 3.690 3.262 2.741 3.656 . 0 0 "[ . 1 . 2]" 1
15 1 9 VAL QG 1 62 TYR HB2 . . 4.450 3.762 3.322 4.156 . 0 0 "[ . 1 . 2]" 1
16 1 10 SER HA 1 11 PRO HD2 . . 3.180 2.934 2.883 3.024 . 0 0 "[ . 1 . 2]" 1
17 1 10 SER HA 1 11 PRO HD3 . . 2.980 2.149 2.112 2.219 . 0 0 "[ . 1 . 2]" 1
18 1 10 SER HB2 1 11 PRO HD2 . . 2.640 2.329 2.012 2.640 0.000 16 0 "[ . 1 . 2]" 1
19 1 10 SER HB3 1 11 PRO HD2 . . 2.400 2.388 2.032 2.635 0.235 2 0 "[ . 1 . 2]" 1
20 1 11 PRO HA 1 12 PRO HD2 . . 3.210 2.753 2.653 2.876 . 0 0 "[ . 1 . 2]" 1
21 1 11 PRO HA 1 12 PRO HD3 . . 3.460 2.046 1.991 2.124 . 0 0 "[ . 1 . 2]" 1
22 1 11 PRO HA 1 62 TYR QD . . 4.330 2.747 2.494 3.088 . 0 0 "[ . 1 . 2]" 1
23 1 11 PRO HB2 1 12 PRO HD3 . . 3.640 3.483 3.244 3.673 0.033 17 0 "[ . 1 . 2]" 1
24 1 11 PRO HB2 1 18 LYS HG3 . . 5.040 3.736 3.314 3.946 . 0 0 "[ . 1 . 2]" 1
25 1 11 PRO HB3 1 12 PRO HD3 . . 4.280 3.410 3.238 3.553 . 0 0 "[ . 1 . 2]" 1
26 1 11 PRO HB3 1 18 LYS HG3 . . 4.380 3.882 2.994 4.183 . 0 0 "[ . 1 . 2]" 1
27 1 11 PRO HB3 1 62 TYR QD . . 5.040 2.878 2.479 3.683 . 0 0 "[ . 1 . 2]" 1
28 1 11 PRO HB3 1 62 TYR QE . . 4.440 3.516 3.385 3.750 . 0 0 "[ . 1 . 2]" 1
29 1 11 PRO HG3 1 62 TYR QE . . 5.310 5.302 5.195 5.315 0.005 6 0 "[ . 1 . 2]" 1
30 1 12 PRO HA 1 13 GLU H . . 3.320 2.535 2.430 2.722 . 0 0 "[ . 1 . 2]" 1
31 1 12 PRO HB2 1 14 ASP H . . 4.170 2.979 2.231 3.504 . 0 0 "[ . 1 . 2]" 1
32 1 12 PRO HB2 1 17 ALA MB . . 4.050 3.038 2.845 3.353 . 0 0 "[ . 1 . 2]" 1
33 1 12 PRO HB2 1 18 LYS H . . 4.250 4.188 3.945 4.259 0.009 7 0 "[ . 1 . 2]" 1
34 1 12 PRO HB3 1 13 GLU H . . 4.050 3.293 3.135 3.404 . 0 0 "[ . 1 . 2]" 1
35 1 12 PRO HB3 1 17 ALA MB . . 3.980 3.753 3.441 3.981 0.001 14 0 "[ . 1 . 2]" 1
36 1 12 PRO HD2 1 62 TYR QD . . 4.360 3.510 3.054 4.222 . 0 0 "[ . 1 . 2]" 1
37 1 12 PRO HD3 1 18 LYS HA . . 4.260 4.332 3.777 4.629 0.369 2 0 "[ . 1 . 2]" 1
38 1 12 PRO HD3 1 18 LYS HG3 . . 4.590 3.211 2.784 3.438 . 0 0 "[ . 1 . 2]" 1
39 1 12 PRO HD3 1 62 TYR QD . . 4.530 2.852 2.484 3.348 . 0 0 "[ . 1 . 2]" 1
40 1 12 PRO HG2 1 17 ALA MB . . 3.750 2.945 2.385 3.243 . 0 0 "[ . 1 . 2]" 1
41 1 12 PRO HG2 1 18 LYS H . . 4.790 2.989 2.457 3.215 . 0 0 "[ . 1 . 2]" 1
42 1 12 PRO HG3 1 17 ALA MB . . 5.500 3.309 2.597 3.521 . 0 0 "[ . 1 . 2]" 1
43 1 13 GLU H 1 13 GLU HB2 . . 3.550 2.346 2.122 3.624 0.074 15 0 "[ . 1 . 2]" 1
44 1 13 GLU H 1 13 GLU HB3 . . 3.820 3.301 2.734 3.602 . 0 0 "[ . 1 . 2]" 1
45 1 13 GLU H 1 13 GLU QG . . 3.940 3.364 1.957 3.949 0.009 7 0 "[ . 1 . 2]" 1
46 1 13 GLU H 1 14 ASP H . . 4.310 2.466 2.091 3.220 . 0 0 "[ . 1 . 2]" 1
47 1 13 GLU HA 1 13 GLU QG . . 3.570 2.236 2.052 3.305 . 0 0 "[ . 1 . 2]" 1
48 1 14 ASP H 1 14 ASP HB2 . . 3.580 2.332 2.002 3.442 . 0 0 "[ . 1 . 2]" 1
49 1 14 ASP H 1 14 ASP HB3 . . 3.590 3.322 2.764 3.589 . 0 0 "[ . 1 . 2]" 1
50 1 14 ASP H 1 15 GLU H . . 4.900 4.291 3.752 4.495 . 0 0 "[ . 1 . 2]" 1
51 1 14 ASP HA 1 15 GLU H . . 3.340 2.259 2.252 2.276 . 0 0 "[ . 1 . 2]" 1
52 1 14 ASP HA 1 15 GLU QB . . 4.480 4.117 4.077 4.232 . 0 0 "[ . 1 . 2]" 1
53 1 14 ASP HA 1 16 GLU H . . 4.750 4.114 3.944 4.322 . 0 0 "[ . 1 . 2]" 1
54 1 14 ASP HA 1 17 ALA H . . 5.110 4.330 4.285 4.389 . 0 0 "[ . 1 . 2]" 1
55 1 14 ASP HA 1 17 ALA MB . . 4.250 4.242 4.132 4.268 0.018 9 0 "[ . 1 . 2]" 1
56 1 14 ASP HB2 1 17 ALA H . . 4.740 3.885 3.264 4.492 . 0 0 "[ . 1 . 2]" 1
57 1 14 ASP HB2 1 17 ALA MB . . 3.570 2.658 1.971 3.507 . 0 0 "[ . 1 . 2]" 1
58 1 14 ASP HB3 1 15 GLU H . . 4.920 3.913 3.753 4.464 . 0 0 "[ . 1 . 2]" 1
59 1 14 ASP HB3 1 17 ALA MB . . 3.750 2.052 1.945 2.587 . 0 0 "[ . 1 . 2]" 1
60 1 15 GLU H 1 15 GLU QB . . 3.350 2.070 1.998 2.200 . 0 0 "[ . 1 . 2]" 1
61 1 15 GLU H 1 15 GLU QG . . 4.280 3.460 2.620 3.924 . 0 0 "[ . 1 . 2]" 1
62 1 15 GLU H 1 16 GLU H . . 3.730 2.863 2.774 3.013 . 0 0 "[ . 1 . 2]" 1
63 1 15 GLU HA 1 15 GLU QG . . 3.640 2.204 1.993 2.456 . 0 0 "[ . 1 . 2]" 1
64 1 15 GLU HA 1 17 ALA H . . 3.890 3.802 3.688 3.892 0.002 19 0 "[ . 1 . 2]" 1
65 1 15 GLU HA 1 18 LYS H . . 4.030 3.129 3.011 3.249 . 0 0 "[ . 1 . 2]" 1
66 1 15 GLU HA 1 18 LYS HB2 . . 3.340 2.483 2.305 2.731 . 0 0 "[ . 1 . 2]" 1
67 1 15 GLU HA 1 18 LYS HB3 . . 3.580 3.396 3.032 3.592 0.012 7 0 "[ . 1 . 2]" 1
68 1 15 GLU HA 1 18 LYS QD . . 4.090 3.386 3.158 3.628 . 0 0 "[ . 1 . 2]" 1
69 1 15 GLU HA 1 19 ASN H . . 4.830 4.380 4.057 4.562 . 0 0 "[ . 1 . 2]" 1
70 1 15 GLU QB 1 16 GLU H . . 3.070 2.486 2.256 2.655 . 0 0 "[ . 1 . 2]" 1
71 1 15 GLU QG 1 16 GLU H . . 4.460 4.182 3.527 4.461 0.001 19 0 "[ . 1 . 2]" 1
72 1 16 GLU H 1 16 GLU QB . . 3.050 2.185 2.009 2.400 . 0 0 "[ . 1 . 2]" 1
73 1 16 GLU H 1 16 GLU HG2 . . 4.300 3.554 2.493 4.241 . 0 0 "[ . 1 . 2]" 1
74 1 16 GLU H 1 16 GLU HG3 . . 3.760 2.926 2.265 3.621 . 0 0 "[ . 1 . 2]" 1
75 1 16 GLU H 1 17 ALA H . . 3.530 2.869 2.811 2.948 . 0 0 "[ . 1 . 2]" 1
76 1 16 GLU H 1 17 ALA MB . . 5.440 4.398 4.326 4.522 . 0 0 "[ . 1 . 2]" 1
77 1 16 GLU HA 1 16 GLU HG2 . . 3.330 2.257 2.007 2.476 . 0 0 "[ . 1 . 2]" 1
78 1 16 GLU HA 1 16 GLU HG3 . . 3.670 2.913 2.390 3.572 . 0 0 "[ . 1 . 2]" 1
79 1 16 GLU HA 1 18 LYS H . . 5.180 4.973 4.872 5.125 . 0 0 "[ . 1 . 2]" 1
80 1 16 GLU HA 1 19 ASN H . . 4.230 3.758 3.641 3.923 . 0 0 "[ . 1 . 2]" 1
81 1 16 GLU HA 1 19 ASN HB2 . . 3.800 3.325 3.080 3.785 . 0 0 "[ . 1 . 2]" 1
82 1 16 GLU HA 1 19 ASN HB3 . . 3.920 3.681 3.251 3.922 0.002 4 0 "[ . 1 . 2]" 1
83 1 16 GLU HA 1 19 ASN HD21 . . 4.180 4.093 3.917 4.182 0.002 15 0 "[ . 1 . 2]" 1
84 1 16 GLU QB 1 17 ALA H . . 3.640 2.954 2.849 3.033 . 0 0 "[ . 1 . 2]" 1
85 1 16 GLU QB 1 17 ALA MB . . 4.170 3.877 3.793 3.940 . 0 0 "[ . 1 . 2]" 1
86 1 16 GLU HG3 1 17 ALA H . . 5.380 5.021 4.655 5.332 . 0 0 "[ . 1 . 2]" 1
87 1 17 ALA H 1 17 ALA MB . . 2.990 1.999 1.949 2.127 . 0 0 "[ . 1 . 2]" 1
88 1 17 ALA HA 1 20 LEU H . . 3.930 2.923 2.858 3.050 . 0 0 "[ . 1 . 2]" 1
89 1 17 ALA HA 1 20 LEU HB2 . . 3.170 1.996 1.985 2.001 . 0 0 "[ . 1 . 2]" 1
90 1 17 ALA HA 1 20 LEU HB3 . . 3.570 3.576 3.566 3.587 0.017 16 0 "[ . 1 . 2]" 1
91 1 17 ALA HA 1 20 LEU MD1 . . 4.120 3.284 3.109 3.442 . 0 0 "[ . 1 . 2]" 1
92 1 17 ALA HA 1 20 LEU HG . . 3.680 3.690 3.685 3.700 0.020 16 0 "[ . 1 . 2]" 1
93 1 17 ALA HA 1 21 ALA H . . 3.620 3.119 2.843 3.274 . 0 0 "[ . 1 . 2]" 1
94 1 17 ALA HA 1 51 PHE QD . . 4.230 4.085 3.922 4.229 . 0 0 "[ . 1 . 2]" 1
95 1 17 ALA MB 1 18 LYS H . . 3.210 2.454 2.389 2.531 . 0 0 "[ . 1 . 2]" 1
96 1 17 ALA MB 1 18 LYS HA . . 3.830 3.649 3.604 3.784 . 0 0 "[ . 1 . 2]" 1
97 1 17 ALA MB 1 51 PHE QD . . 3.750 3.428 3.212 3.690 . 0 0 "[ . 1 . 2]" 1
98 1 18 LYS H 1 18 LYS HB2 . . 3.340 2.025 2.014 2.042 . 0 0 "[ . 1 . 2]" 1
99 1 18 LYS H 1 18 LYS HB3 . . 3.310 3.164 3.108 3.197 . 0 0 "[ . 1 . 2]" 1
100 1 18 LYS H 1 18 LYS QD . . 4.330 3.878 3.677 4.142 . 0 0 "[ . 1 . 2]" 1
101 1 18 LYS H 1 18 LYS HG2 . . 4.720 4.468 4.432 4.516 . 0 0 "[ . 1 . 2]" 1
102 1 18 LYS H 1 18 LYS HG3 . . 3.730 3.667 3.593 3.737 0.007 7 0 "[ . 1 . 2]" 1
103 1 18 LYS H 1 19 ASN H . . 3.540 2.879 2.820 2.916 . 0 0 "[ . 1 . 2]" 1
104 1 18 LYS HA 1 18 LYS HG2 . . 3.780 2.788 2.638 2.955 . 0 0 "[ . 1 . 2]" 1
105 1 18 LYS HA 1 18 LYS HG3 . . 3.690 2.111 1.999 2.267 . 0 0 "[ . 1 . 2]" 1
106 1 18 LYS HA 1 21 ALA H . . 4.390 4.080 3.888 4.285 . 0 0 "[ . 1 . 2]" 1
107 1 18 LYS HA 1 21 ALA MB . . 3.420 2.888 2.759 3.019 . 0 0 "[ . 1 . 2]" 1
108 1 18 LYS HA 1 22 GLU H . . 5.500 3.986 3.863 4.063 . 0 0 "[ . 1 . 2]" 1
109 1 18 LYS HA 1 62 TYR QD . . 4.270 4.094 3.780 4.272 0.002 19 0 "[ . 1 . 2]" 1
110 1 18 LYS HA 1 62 TYR QE . . 3.670 3.299 3.050 3.545 . 0 0 "[ . 1 . 2]" 1
111 1 18 LYS HB2 1 18 LYS QD . . 3.480 2.157 2.028 2.293 . 0 0 "[ . 1 . 2]" 1
112 1 18 LYS HB2 1 19 ASN H . . 3.600 3.631 3.600 3.683 0.083 19 0 "[ . 1 . 2]" 1
113 1 18 LYS HB3 1 18 LYS QD . . 3.290 2.860 2.524 2.999 . 0 0 "[ . 1 . 2]" 1
114 1 18 LYS HB3 1 19 ASN H . . 3.800 3.233 3.086 3.322 . 0 0 "[ . 1 . 2]" 1
115 1 18 LYS QE 1 62 TYR QE . . 3.990 3.598 3.146 3.994 0.004 9 0 "[ . 1 . 2]" 1
116 1 18 LYS HG2 1 62 TYR QE . . 4.190 2.898 2.250 3.538 . 0 0 "[ . 1 . 2]" 1
117 1 18 LYS HG3 1 62 TYR QE . . 3.880 3.341 2.896 3.863 . 0 0 "[ . 1 . 2]" 1
118 1 19 ASN H 1 19 ASN HB2 . . 3.460 2.260 2.133 2.571 . 0 0 "[ . 1 . 2]" 1
119 1 19 ASN H 1 19 ASN HB3 . . 3.850 2.901 2.533 3.055 . 0 0 "[ . 1 . 2]" 1
120 1 19 ASN H 1 20 LEU H . . 3.530 2.389 2.325 2.440 . 0 0 "[ . 1 . 2]" 1
121 1 19 ASN H 1 21 ALA MB . . 4.410 4.429 4.418 4.456 0.046 7 0 "[ . 1 . 2]" 1
122 1 19 ASN HA 1 22 GLU H . . 4.460 3.823 3.652 3.985 . 0 0 "[ . 1 . 2]" 1
123 1 19 ASN HA 1 22 GLU HB2 . . 3.680 3.169 2.941 3.318 . 0 0 "[ . 1 . 2]" 1
124 1 19 ASN HA 1 22 GLU HB3 . . 3.630 3.632 3.606 3.647 0.017 15 0 "[ . 1 . 2]" 1
125 1 19 ASN HB2 1 20 LEU H . . 3.980 3.262 3.092 3.656 . 0 0 "[ . 1 . 2]" 1
126 1 19 ASN HB3 1 20 LEU H . . 3.700 2.437 2.264 2.552 . 0 0 "[ . 1 . 2]" 1
127 1 19 ASN HB3 1 20 LEU HA . . 4.710 3.731 3.654 3.975 . 0 0 "[ . 1 . 2]" 1
128 1 20 LEU H 1 20 LEU HB2 . . 3.480 2.197 2.159 2.269 . 0 0 "[ . 1 . 2]" 1
129 1 20 LEU H 1 20 LEU HB3 . . 3.410 3.471 3.453 3.500 0.090 7 0 "[ . 1 . 2]" 1
130 1 20 LEU H 1 20 LEU MD1 . . 5.120 3.869 3.772 3.900 . 0 0 "[ . 1 . 2]" 1
131 1 20 LEU H 1 20 LEU MD2 . . 4.460 3.474 3.274 3.604 . 0 0 "[ . 1 . 2]" 1
132 1 20 LEU H 1 20 LEU HG . . 3.450 2.689 2.552 2.775 . 0 0 "[ . 1 . 2]" 1
133 1 20 LEU HA 1 20 LEU MD1 . . 3.760 3.750 3.736 3.792 0.032 16 0 "[ . 1 . 2]" 1
134 1 20 LEU HA 1 20 LEU MD2 . . 3.230 1.911 1.892 1.933 . 0 0 "[ . 1 . 2]" 1
135 1 20 LEU HA 1 20 LEU HG . . 3.300 2.980 2.900 3.078 . 0 0 "[ . 1 . 2]" 1
136 1 20 LEU HA 1 23 LYS HB2 . . 3.280 2.766 2.492 3.315 0.035 6 0 "[ . 1 . 2]" 1
137 1 20 LEU HA 1 23 LYS QE . . 4.790 4.290 3.553 4.794 0.004 19 0 "[ . 1 . 2]" 1
138 1 20 LEU HB2 1 20 LEU MD1 . . 3.360 2.447 2.313 2.517 . 0 0 "[ . 1 . 2]" 1
139 1 20 LEU HB2 1 20 LEU MD2 . . 3.590 3.206 3.203 3.212 . 0 0 "[ . 1 . 2]" 1
140 1 20 LEU HB2 1 20 LEU HG . . 2.400 2.389 2.371 2.434 0.034 16 0 "[ . 1 . 2]" 1
141 1 20 LEU HB2 1 51 PHE QD . . 4.230 4.211 4.154 4.238 0.008 2 0 "[ . 1 . 2]" 1
142 1 20 LEU HB2 1 51 PHE QE . . 4.580 3.128 2.959 3.646 . 0 0 "[ . 1 . 2]" 1
143 1 20 LEU HB3 1 20 LEU MD1 . . 3.270 2.237 2.153 2.351 . 0 0 "[ . 1 . 2]" 1
144 1 20 LEU HB3 1 20 LEU MD2 . . 3.370 2.469 2.412 2.496 . 0 0 "[ . 1 . 2]" 1
145 1 20 LEU HB3 1 21 ALA H . . 3.710 3.192 3.100 3.283 . 0 0 "[ . 1 . 2]" 1
146 1 20 LEU HB3 1 21 ALA HA . . 4.300 4.089 4.063 4.113 . 0 0 "[ . 1 . 2]" 1
147 1 20 LEU HB3 1 51 PHE QD . . 4.100 4.053 3.878 4.107 0.007 6 0 "[ . 1 . 2]" 1
148 1 20 LEU HB3 1 51 PHE QE . . 4.070 2.063 1.995 2.544 . 0 0 "[ . 1 . 2]" 1
149 1 20 LEU MD1 1 48 ALA MB . . 3.420 2.487 1.846 3.423 0.003 9 0 "[ . 1 . 2]" 1
150 1 20 LEU MD1 1 49 PHE HA . . 4.140 3.395 2.906 3.982 . 0 0 "[ . 1 . 2]" 1
151 1 20 LEU MD1 1 49 PHE QD . . 4.070 3.343 2.912 3.650 . 0 0 "[ . 1 . 2]" 1
152 1 20 LEU MD1 1 49 PHE HZ . . 4.270 3.744 2.713 4.102 . 0 0 "[ . 1 . 2]" 1
153 1 20 LEU MD1 1 51 PHE QD . . 4.290 3.693 3.535 4.075 . 0 0 "[ . 1 . 2]" 1
154 1 20 LEU MD1 1 51 PHE QE . . 3.950 2.616 1.965 3.738 . 0 0 "[ . 1 . 2]" 1
155 1 20 LEU MD2 1 23 LYS HB2 . . 5.110 3.658 3.425 4.058 . 0 0 "[ . 1 . 2]" 1
156 1 20 LEU MD2 1 23 LYS HB3 . . 4.760 3.871 3.270 4.141 . 0 0 "[ . 1 . 2]" 1
157 1 20 LEU MD2 1 23 LYS QD . . 4.280 3.749 3.378 4.284 0.004 6 0 "[ . 1 . 2]" 1
158 1 20 LEU MD2 1 23 LYS QE . . 4.610 3.631 2.868 4.315 . 0 0 "[ . 1 . 2]" 1
159 1 20 LEU MD2 1 49 PHE QD . . 4.180 3.952 3.536 4.181 0.001 2 0 "[ . 1 . 2]" 1
160 1 20 LEU MD2 1 49 PHE QE . . 3.990 2.326 1.974 2.717 . 0 0 "[ . 1 . 2]" 1
161 1 20 LEU MD2 1 49 PHE HZ . . 4.020 2.478 1.974 3.174 . 0 0 "[ . 1 . 2]" 1
162 1 21 ALA H 1 21 ALA MB . . 3.020 2.024 1.990 2.074 . 0 0 "[ . 1 . 2]" 1
163 1 21 ALA H 1 51 PHE QD . . 4.670 4.626 4.307 4.674 0.004 14 0 "[ . 1 . 2]" 1
164 1 21 ALA HA 1 51 PHE QD . . 3.990 3.886 3.628 3.994 0.004 11 0 "[ . 1 . 2]" 1
165 1 21 ALA HA 1 51 PHE QE . . 3.500 2.389 2.076 2.743 . 0 0 "[ . 1 . 2]" 1
166 1 21 ALA HA 1 52 LEU MD2 . . 4.810 4.015 3.513 4.681 . 0 0 "[ . 1 . 2]" 1
167 1 21 ALA HA 1 62 TYR QE . . 4.410 4.408 4.362 4.419 0.009 5 0 "[ . 1 . 2]" 1
168 1 21 ALA HA 1 63 TYR HB2 . . 4.180 2.988 2.565 3.187 . 0 0 "[ . 1 . 2]" 1
169 1 21 ALA MB 1 22 GLU H . . 3.440 2.344 2.274 2.446 . 0 0 "[ . 1 . 2]" 1
170 1 21 ALA MB 1 51 PHE QD . . 3.830 3.292 3.050 3.586 . 0 0 "[ . 1 . 2]" 1
171 1 21 ALA MB 1 51 PHE QE . . 4.080 3.185 2.870 3.569 . 0 0 "[ . 1 . 2]" 1
172 1 21 ALA MB 1 62 TYR HB3 . . 4.530 3.850 3.775 3.933 . 0 0 "[ . 1 . 2]" 1
173 1 21 ALA MB 1 62 TYR QD . . 2.820 1.942 1.883 1.976 . 0 0 "[ . 1 . 2]" 1
174 1 21 ALA MB 1 62 TYR QE . . 3.900 1.979 1.934 2.023 . 0 0 "[ . 1 . 2]" 1
175 1 21 ALA MB 1 63 TYR H . . 3.520 3.432 3.122 3.529 0.009 5 0 "[ . 1 . 2]" 1
176 1 21 ALA MB 1 63 TYR HA . . 3.130 2.466 2.326 2.625 . 0 0 "[ . 1 . 2]" 1
177 1 21 ALA MB 1 63 TYR HB2 . . 3.140 2.107 1.846 2.288 . 0 0 "[ . 1 . 2]" 1
178 1 21 ALA MB 1 63 TYR HB3 . . 3.820 3.418 3.022 3.638 . 0 0 "[ . 1 . 2]" 1
179 1 22 GLU H 1 22 GLU HB2 . . 3.340 2.036 2.022 2.052 . 0 0 "[ . 1 . 2]" 1
180 1 22 GLU H 1 22 GLU HB3 . . 3.390 3.158 3.114 3.223 . 0 0 "[ . 1 . 2]" 1
181 1 22 GLU H 1 22 GLU HG2 . . 4.230 3.970 3.822 4.065 . 0 0 "[ . 1 . 2]" 1
182 1 22 GLU H 1 22 GLU HG3 . . 3.910 3.814 3.658 3.912 0.002 10 0 "[ . 1 . 2]" 1
183 1 22 GLU H 1 23 LYS H . . 3.270 3.114 2.899 3.218 . 0 0 "[ . 1 . 2]" 1
184 1 22 GLU H 1 62 TYR QE . . 4.350 2.066 1.948 2.315 . 0 0 "[ . 1 . 2]" 1
185 1 22 GLU HA 1 22 GLU HG2 . . 2.890 2.021 1.974 2.070 . 0 0 "[ . 1 . 2]" 1
186 1 22 GLU HA 1 22 GLU HG3 . . 4.000 3.061 2.914 3.214 . 0 0 "[ . 1 . 2]" 1
187 1 22 GLU HA 1 25 ALA H . . 4.370 3.716 3.421 3.939 . 0 0 "[ . 1 . 2]" 1
188 1 22 GLU HA 1 25 ALA MB . . 2.960 2.690 2.190 2.965 0.005 1 0 "[ . 1 . 2]" 1
189 1 22 GLU HA 1 26 ARG H . . 3.840 3.637 3.539 3.723 . 0 0 "[ . 1 . 2]" 1
190 1 22 GLU HA 1 62 TYR QE . . 3.780 3.147 2.915 3.425 . 0 0 "[ . 1 . 2]" 1
191 1 22 GLU HA 1 66 LYS HG2 . . 4.490 4.430 4.173 4.496 0.006 6 0 "[ . 1 . 2]" 1
192 1 22 GLU HA 1 66 LYS HG3 . . 4.230 2.843 2.567 3.129 . 0 0 "[ . 1 . 2]" 1
193 1 22 GLU HA 1 70 PHE QE . . 4.230 3.452 3.084 4.178 . 0 0 "[ . 1 . 2]" 1
194 1 22 GLU HA 1 70 PHE HZ . . 4.870 4.047 3.462 4.859 . 0 0 "[ . 1 . 2]" 1
195 1 22 GLU HB2 1 22 GLU HG3 . . 2.900 2.275 2.265 2.300 . 0 0 "[ . 1 . 2]" 1
196 1 22 GLU HB2 1 23 LYS H . . 3.890 3.114 2.976 3.214 . 0 0 "[ . 1 . 2]" 1
197 1 22 GLU HB2 1 62 TYR QE . . 3.780 2.906 2.724 3.081 . 0 0 "[ . 1 . 2]" 1
198 1 22 GLU HB3 1 23 LYS H . . 3.880 2.282 2.143 2.557 . 0 0 "[ . 1 . 2]" 1
199 1 22 GLU HB3 1 62 TYR QE . . 4.610 4.399 4.236 4.555 . 0 0 "[ . 1 . 2]" 1
200 1 22 GLU HG2 1 23 LYS H . . 4.910 4.584 4.470 4.754 . 0 0 "[ . 1 . 2]" 1
201 1 22 GLU HG2 1 62 TYR QE . . 4.030 3.953 3.672 4.038 0.008 9 0 "[ . 1 . 2]" 1
202 1 22 GLU HG2 1 66 LYS HG3 . . 4.520 2.396 1.998 2.622 . 0 0 "[ . 1 . 2]" 1
203 1 22 GLU HG2 1 70 PHE HZ . . 4.710 2.569 2.000 3.208 . 0 0 "[ . 1 . 2]" 1
204 1 22 GLU HG3 1 62 TYR QE . . 3.560 3.430 3.215 3.562 0.002 12 0 "[ . 1 . 2]" 1
205 1 22 GLU HG3 1 70 PHE HZ . . 4.660 3.870 3.478 4.264 . 0 0 "[ . 1 . 2]" 1
206 1 23 LYS H 1 23 LYS HB2 . . 3.400 2.110 2.033 2.175 . 0 0 "[ . 1 . 2]" 1
207 1 23 LYS H 1 23 LYS HB3 . . 3.520 3.363 2.968 3.465 . 0 0 "[ . 1 . 2]" 1
208 1 23 LYS H 1 23 LYS QD . . 4.780 4.087 3.179 4.817 0.037 19 0 "[ . 1 . 2]" 1
209 1 23 LYS H 1 23 LYS HG2 . . 4.130 3.901 3.418 4.244 0.114 8 0 "[ . 1 . 2]" 1
210 1 23 LYS H 1 23 LYS HG3 . . 4.260 3.197 2.889 4.206 . 0 0 "[ . 1 . 2]" 1
211 1 23 LYS H 1 24 LEU H . . 3.780 3.149 3.050 3.217 . 0 0 "[ . 1 . 2]" 1
212 1 23 LYS HA 1 23 LYS HB2 . . 2.940 2.904 2.698 2.960 0.020 16 0 "[ . 1 . 2]" 1
213 1 23 LYS HA 1 23 LYS HB3 . . 2.910 2.794 2.728 2.976 0.066 18 0 "[ . 1 . 2]" 1
214 1 23 LYS HA 1 23 LYS QD . . 3.810 3.667 3.193 3.852 0.042 19 0 "[ . 1 . 2]" 1
215 1 23 LYS HA 1 23 LYS HG2 . . 3.360 2.299 1.973 2.880 . 0 0 "[ . 1 . 2]" 1
216 1 23 LYS HA 1 23 LYS HG3 . . 3.760 2.685 2.054 3.327 . 0 0 "[ . 1 . 2]" 1
217 1 23 LYS HA 1 26 ARG H . . 4.180 3.574 3.389 3.695 . 0 0 "[ . 1 . 2]" 1
218 1 23 LYS HA 1 26 ARG HB3 . . 3.960 3.232 2.871 3.574 . 0 0 "[ . 1 . 2]" 1
219 1 23 LYS HA 1 27 PHE H . . 4.800 3.871 3.684 4.079 . 0 0 "[ . 1 . 2]" 1
220 1 23 LYS HB2 1 23 LYS QD . . 3.570 2.617 2.029 3.273 . 0 0 "[ . 1 . 2]" 1
221 1 23 LYS HB2 1 23 LYS QE . . 4.100 3.263 2.687 3.667 . 0 0 "[ . 1 . 2]" 1
222 1 23 LYS HB2 1 24 LEU H . . 4.140 2.822 2.675 3.325 . 0 0 "[ . 1 . 2]" 1
223 1 23 LYS HB3 1 23 LYS QD . . 3.720 2.416 2.030 3.185 . 0 0 "[ . 1 . 2]" 1
224 1 23 LYS HB3 1 23 LYS QE . . 4.530 3.218 2.277 3.758 . 0 0 "[ . 1 . 2]" 1
225 1 23 LYS HB3 1 24 LEU H . . 3.350 2.649 2.135 2.901 . 0 0 "[ . 1 . 2]" 1
226 1 23 LYS QE 1 23 LYS HG3 . . 3.530 2.581 1.977 3.485 . 0 0 "[ . 1 . 2]" 1
227 1 23 LYS HG2 1 24 LEU H . . 4.850 4.790 4.519 4.883 0.033 1 0 "[ . 1 . 2]" 1
228 1 23 LYS HG3 1 24 LEU H . . 4.880 4.841 4.776 4.884 0.004 18 0 "[ . 1 . 2]" 1
229 1 24 LEU H 1 24 LEU HB2 . . 3.320 2.015 1.998 2.058 . 0 0 "[ . 1 . 2]" 1
230 1 24 LEU H 1 24 LEU HB3 . . 3.460 3.076 2.962 3.152 . 0 0 "[ . 1 . 2]" 1
231 1 24 LEU H 1 24 LEU MD1 . . 5.050 4.303 4.242 4.358 . 0 0 "[ . 1 . 2]" 1
232 1 24 LEU H 1 24 LEU MD2 . . 3.760 3.112 2.928 3.370 . 0 0 "[ . 1 . 2]" 1
233 1 24 LEU H 1 24 LEU HG . . 4.290 4.279 4.204 4.318 0.028 11 0 "[ . 1 . 2]" 1
234 1 24 LEU HA 1 24 LEU MD1 . . 4.120 2.633 2.458 2.884 . 0 0 "[ . 1 . 2]" 1
235 1 24 LEU HA 1 24 LEU MD2 . . 3.210 2.001 1.906 2.168 . 0 0 "[ . 1 . 2]" 1
236 1 24 LEU HA 1 24 LEU HG . . 4.170 3.601 3.575 3.619 . 0 0 "[ . 1 . 2]" 1
237 1 24 LEU HA 1 27 PHE H . . 3.610 3.578 3.424 3.652 0.042 12 0 "[ . 1 . 2]" 1
238 1 24 LEU HA 1 27 PHE QB . . 3.240 2.549 2.228 2.792 . 0 0 "[ . 1 . 2]" 1
239 1 24 LEU HA 1 27 PHE QD . . 4.310 2.982 2.507 3.210 . 0 0 "[ . 1 . 2]" 1
240 1 24 LEU HB2 1 24 LEU MD1 . . 3.660 3.199 3.178 3.212 . 0 0 "[ . 1 . 2]" 1
241 1 24 LEU HB2 1 24 LEU MD2 . . 3.120 2.412 2.332 2.478 . 0 0 "[ . 1 . 2]" 1
242 1 24 LEU HB2 1 25 ALA H . . 3.710 3.319 3.100 3.603 . 0 0 "[ . 1 . 2]" 1
243 1 24 LEU HB2 1 63 TYR QD . . 4.490 3.823 3.476 4.229 . 0 0 "[ . 1 . 2]" 1
244 1 24 LEU HB2 1 63 TYR QE . . 3.930 3.712 3.641 3.868 . 0 0 "[ . 1 . 2]" 1
245 1 24 LEU HB3 1 24 LEU MD1 . . 3.320 2.282 2.193 2.391 . 0 0 "[ . 1 . 2]" 1
246 1 24 LEU HB3 1 25 ALA H . . 3.700 2.415 2.111 2.982 . 0 0 "[ . 1 . 2]" 1
247 1 24 LEU HB3 1 63 TYR QE . . 3.880 2.011 1.994 2.125 . 0 0 "[ . 1 . 2]" 1
248 1 24 LEU MD1 1 27 PHE QD . . 4.150 2.818 2.434 3.095 . 0 0 "[ . 1 . 2]" 1
249 1 24 LEU MD1 1 28 ILE MD . . 3.780 1.695 1.631 1.788 . 0 0 "[ . 1 . 2]" 1
250 1 24 LEU MD1 1 52 LEU MD2 . . 3.770 2.222 1.898 2.682 . 0 0 "[ . 1 . 2]" 1
251 1 24 LEU MD1 1 63 TYR QD . . 4.540 3.997 3.810 4.252 . 0 0 "[ . 1 . 2]" 1
252 1 24 LEU MD1 1 63 TYR QE . . 3.890 2.080 1.967 2.360 . 0 0 "[ . 1 . 2]" 1
253 1 24 LEU MD2 1 27 PHE H . . 5.430 4.931 4.783 5.116 . 0 0 "[ . 1 . 2]" 1
254 1 24 LEU MD2 1 27 PHE QB . . 3.910 3.515 3.198 3.867 . 0 0 "[ . 1 . 2]" 1
255 1 24 LEU MD2 1 27 PHE QD . . 3.690 2.683 2.059 3.340 . 0 0 "[ . 1 . 2]" 1
256 1 24 LEU MD2 1 49 PHE QD . . 4.370 3.308 2.351 3.786 . 0 0 "[ . 1 . 2]" 1
257 1 24 LEU MD2 1 49 PHE QE . . 4.120 2.365 1.992 2.939 . 0 0 "[ . 1 . 2]" 1
258 1 24 LEU MD2 1 52 LEU MD2 . . 4.230 3.981 3.610 4.233 0.003 4 0 "[ . 1 . 2]" 1
259 1 24 LEU MD2 1 63 TYR QE . . 4.360 4.360 4.281 4.380 0.020 12 0 "[ . 1 . 2]" 1
260 1 25 ALA H 1 25 ALA MB . . 3.150 2.054 1.937 2.150 . 0 0 "[ . 1 . 2]" 1
261 1 25 ALA H 1 26 ARG H . . 3.810 2.916 2.752 3.022 . 0 0 "[ . 1 . 2]" 1
262 1 25 ALA H 1 63 TYR QD . . 4.350 3.023 2.583 3.403 . 0 0 "[ . 1 . 2]" 1
263 1 25 ALA H 1 63 TYR QE . . 4.970 3.068 2.412 3.497 . 0 0 "[ . 1 . 2]" 1
264 1 25 ALA HA 1 28 ILE H . . 4.890 3.546 3.374 3.799 . 0 0 "[ . 1 . 2]" 1
265 1 25 ALA HA 1 28 ILE HB . . 3.490 2.664 2.392 3.123 . 0 0 "[ . 1 . 2]" 1
266 1 25 ALA HA 1 28 ILE MD . . 3.680 3.613 3.324 3.689 0.009 19 0 "[ . 1 . 2]" 1
267 1 25 ALA HA 1 28 ILE MG . . 4.770 3.765 3.401 4.308 . 0 0 "[ . 1 . 2]" 1
268 1 25 ALA HA 1 29 ALA H . . 3.640 3.582 3.303 3.659 0.019 15 0 "[ . 1 . 2]" 1
269 1 25 ALA HA 1 63 TYR QE . . 3.550 3.116 2.573 3.519 . 0 0 "[ . 1 . 2]" 1
270 1 25 ALA HA 1 67 LEU HA . . 4.150 3.849 3.550 4.153 0.003 11 0 "[ . 1 . 2]" 1
271 1 25 ALA HA 1 67 LEU HB3 . . 5.390 5.320 4.971 5.447 0.057 7 0 "[ . 1 . 2]" 1
272 1 25 ALA HA 1 67 LEU MD1 . . 3.530 1.915 1.788 2.069 . 0 0 "[ . 1 . 2]" 1
273 1 25 ALA HA 1 67 LEU MD2 . . 4.150 3.785 3.312 4.159 0.009 1 0 "[ . 1 . 2]" 1
274 1 25 ALA MB 1 26 ARG H . . 3.300 2.344 1.963 2.601 . 0 0 "[ . 1 . 2]" 1
275 1 25 ALA MB 1 27 PHE H . . 4.580 4.317 4.023 4.591 0.011 20 0 "[ . 1 . 2]" 1
276 1 25 ALA MB 1 63 TYR QE . . 4.160 3.309 2.766 3.604 . 0 0 "[ . 1 . 2]" 1
277 1 25 ALA MB 1 66 LYS HB3 . . 3.020 2.556 2.300 2.763 . 0 0 "[ . 1 . 2]" 1
278 1 25 ALA MB 1 67 LEU HA . . 2.930 2.543 2.072 2.933 0.003 14 0 "[ . 1 . 2]" 1
279 1 25 ALA MB 1 67 LEU MD1 . . 2.940 2.103 1.892 2.490 . 0 0 "[ . 1 . 2]" 1
280 1 25 ALA MB 1 67 LEU MD2 . . 3.830 3.787 3.510 3.850 0.020 7 0 "[ . 1 . 2]" 1
281 1 25 ALA MB 1 70 PHE QE . . 3.550 2.339 1.969 3.087 . 0 0 "[ . 1 . 2]" 1
282 1 25 ALA MB 1 70 PHE HZ . . 5.500 4.140 3.750 5.001 . 0 0 "[ . 1 . 2]" 1
283 1 26 ARG H 1 26 ARG HB2 . . 3.440 2.270 2.028 3.433 . 0 0 "[ . 1 . 2]" 1
284 1 26 ARG H 1 26 ARG HB3 . . 3.430 3.138 2.124 3.438 0.008 6 0 "[ . 1 . 2]" 1
285 1 26 ARG H 1 26 ARG HG2 . . 5.220 3.761 3.357 4.538 . 0 0 "[ . 1 . 2]" 1
286 1 26 ARG H 1 26 ARG HG3 . . 3.730 3.567 2.986 4.360 0.630 20 1 "[ . 1 . +]" 1
287 1 26 ARG H 1 27 PHE H . . 3.260 2.892 2.782 3.008 . 0 0 "[ . 1 . 2]" 1
288 1 26 ARG H 1 27 PHE QB . . 5.500 4.453 4.348 4.553 . 0 0 "[ . 1 . 2]" 1
289 1 26 ARG H 1 67 LEU MD1 . . 5.500 4.366 4.033 4.613 . 0 0 "[ . 1 . 2]" 1
290 1 26 ARG H 1 70 PHE QD . . 4.670 3.530 3.230 3.987 . 0 0 "[ . 1 . 2]" 1
291 1 26 ARG H 1 70 PHE QE . . 4.130 2.340 1.947 2.947 . 0 0 "[ . 1 . 2]" 1
292 1 26 ARG HA 1 26 ARG HD2 . . 4.240 3.925 2.608 4.241 0.001 17 0 "[ . 1 . 2]" 1
293 1 26 ARG HA 1 26 ARG HD3 . . 3.610 3.483 2.294 4.174 0.564 2 1 "[ + . 1 . 2]" 1
294 1 26 ARG HA 1 29 ALA H . . 4.850 3.824 3.699 3.989 . 0 0 "[ . 1 . 2]" 1
295 1 26 ARG HA 1 29 ALA MB . . 3.290 2.630 2.326 2.845 . 0 0 "[ . 1 . 2]" 1
296 1 26 ARG HA 1 70 PHE QD . . 3.340 2.237 1.997 2.849 . 0 0 "[ . 1 . 2]" 1
297 1 26 ARG HA 1 70 PHE QE . . 4.430 2.737 2.123 3.627 . 0 0 "[ . 1 . 2]" 1
298 1 26 ARG HB2 1 26 ARG HD2 . . 3.910 3.268 2.757 3.594 . 0 0 "[ . 1 . 2]" 1
299 1 26 ARG HB2 1 27 PHE H . . 4.330 3.333 2.955 4.254 . 0 0 "[ . 1 . 2]" 1
300 1 26 ARG HB2 1 70 PHE QE . . 4.070 3.274 2.953 4.035 . 0 0 "[ . 1 . 2]" 1
301 1 26 ARG HB3 1 27 PHE H . . 3.720 3.116 2.699 3.781 0.061 12 0 "[ . 1 . 2]" 1
302 1 26 ARG HB3 1 70 PHE QE . . 4.640 4.113 2.609 4.640 0.000 13 0 "[ . 1 . 2]" 1
303 1 26 ARG HG2 1 27 PHE H . . 5.030 4.803 3.829 5.074 0.044 20 0 "[ . 1 . 2]" 1
304 1 27 PHE H 1 27 PHE QB . . 3.050 2.009 1.990 2.044 . 0 0 "[ . 1 . 2]" 1
305 1 27 PHE H 1 27 PHE QD . . 4.980 3.970 3.919 4.026 . 0 0 "[ . 1 . 2]" 1
306 1 27 PHE H 1 28 ILE H . . 3.770 2.738 2.557 2.942 . 0 0 "[ . 1 . 2]" 1
307 1 27 PHE H 1 29 ALA H . . 3.840 3.684 3.411 3.851 0.011 19 0 "[ . 1 . 2]" 1
308 1 27 PHE HA 1 27 PHE QD . . 3.630 2.563 2.446 2.717 . 0 0 "[ . 1 . 2]" 1
309 1 27 PHE HA 1 30 ASP H . . 3.540 3.240 3.047 3.479 . 0 0 "[ . 1 . 2]" 1
310 1 27 PHE HA 1 30 ASP QB . . 3.870 2.568 2.419 2.863 . 0 0 "[ . 1 . 2]" 1
311 1 27 PHE QB 1 28 ILE H . . 3.720 2.244 2.113 2.333 . 0 0 "[ . 1 . 2]" 1
312 1 27 PHE QB 1 28 ILE HG13 . . 4.460 3.460 3.274 3.651 . 0 0 "[ . 1 . 2]" 1
313 1 27 PHE QD 1 28 ILE H . . 5.500 2.825 2.693 2.974 . 0 0 "[ . 1 . 2]" 1
314 1 27 PHE QD 1 28 ILE MD . . 4.020 3.703 3.475 3.848 . 0 0 "[ . 1 . 2]" 1
315 1 27 PHE QD 1 28 ILE HG12 . . 4.860 3.523 3.258 3.849 . 0 0 "[ . 1 . 2]" 1
316 1 27 PHE QD 1 28 ILE HG13 . . 4.260 2.265 2.080 2.444 . 0 0 "[ . 1 . 2]" 1
317 1 27 PHE QD 1 35 VAL MG2 . . 3.650 3.215 3.069 3.370 . 0 0 "[ . 1 . 2]" 1
318 1 27 PHE QE 1 28 ILE MD . . 4.170 4.116 3.993 4.175 0.005 6 0 "[ . 1 . 2]" 1
319 1 27 PHE QE 1 28 ILE HG13 . . 4.650 3.415 3.169 3.568 . 0 0 "[ . 1 . 2]" 1
320 1 27 PHE QE 1 35 VAL MG1 . . 4.250 4.118 3.906 4.250 . 0 0 "[ . 1 . 2]" 1
321 1 27 PHE QE 1 35 VAL MG2 . . 3.690 2.367 2.127 2.535 . 0 0 "[ . 1 . 2]" 1
322 1 27 PHE QE 1 39 ALA MB . . 3.910 1.881 1.772 2.204 . 0 0 "[ . 1 . 2]" 1
323 1 28 ILE H 1 28 ILE HB . . 3.270 2.261 2.196 2.367 . 0 0 "[ . 1 . 2]" 1
324 1 28 ILE H 1 28 ILE MD . . 4.310 3.601 3.429 3.725 . 0 0 "[ . 1 . 2]" 1
325 1 28 ILE H 1 28 ILE HG12 . . 4.040 3.536 3.368 3.685 . 0 0 "[ . 1 . 2]" 1
326 1 28 ILE H 1 28 ILE HG13 . . 3.340 2.334 2.129 2.474 . 0 0 "[ . 1 . 2]" 1
327 1 28 ILE H 1 28 ILE MG . . 4.160 3.659 3.627 3.698 . 0 0 "[ . 1 . 2]" 1
328 1 28 ILE H 1 29 ALA MB . . 5.350 4.348 4.281 4.433 . 0 0 "[ . 1 . 2]" 1
329 1 28 ILE HA 1 28 ILE MD . . 3.800 3.749 3.700 3.789 . 0 0 "[ . 1 . 2]" 1
330 1 28 ILE HA 1 28 ILE HG12 . . 3.760 2.380 2.292 2.490 . 0 0 "[ . 1 . 2]" 1
331 1 28 ILE HA 1 28 ILE HG13 . . 3.440 2.820 2.709 2.929 . 0 0 "[ . 1 . 2]" 1
332 1 28 ILE HA 1 28 ILE MG . . 3.090 2.579 2.507 2.648 . 0 0 "[ . 1 . 2]" 1
333 1 28 ILE HA 1 35 VAL HB . . 3.740 3.783 3.754 3.821 0.081 6 0 "[ . 1 . 2]" 1
334 1 28 ILE HA 1 35 VAL MG1 . . 3.180 1.783 1.769 1.833 . 0 0 "[ . 1 . 2]" 1
335 1 28 ILE HA 1 35 VAL MG2 . . 3.550 2.247 2.175 2.337 . 0 0 "[ . 1 . 2]" 1
336 1 28 ILE HB 1 28 ILE MD . . 3.230 2.341 2.261 2.437 . 0 0 "[ . 1 . 2]" 1
337 1 28 ILE HB 1 29 ALA H . . 3.280 3.020 2.776 3.290 0.010 16 0 "[ . 1 . 2]" 1
338 1 28 ILE HB 1 29 ALA MB . . 4.910 4.238 4.097 4.357 . 0 0 "[ . 1 . 2]" 1
339 1 28 ILE HB 1 67 LEU MD2 . . 4.330 3.739 3.009 4.333 0.003 20 0 "[ . 1 . 2]" 1
340 1 28 ILE MD 1 28 ILE MG . . 2.400 1.917 1.857 2.006 . 0 0 "[ . 1 . 2]" 1
341 1 28 ILE MD 1 36 GLU H . . 5.350 4.347 4.083 4.644 . 0 0 "[ . 1 . 2]" 1
342 1 28 ILE MD 1 36 GLU HA . . 3.660 2.383 2.027 2.763 . 0 0 "[ . 1 . 2]" 1
343 1 28 ILE MD 1 36 GLU HB2 . . 3.790 3.252 2.892 3.473 . 0 0 "[ . 1 . 2]" 1
344 1 28 ILE MD 1 39 ALA MB . . 3.550 2.311 2.072 2.509 . 0 0 "[ . 1 . 2]" 1
345 1 28 ILE MD 1 40 LEU MD2 . . 2.930 2.933 2.863 2.948 0.018 14 0 "[ . 1 . 2]" 1
346 1 28 ILE MD 1 40 LEU HG . . 3.620 3.134 3.013 3.263 . 0 0 "[ . 1 . 2]" 1
347 1 28 ILE HG12 1 28 ILE MG . . 3.230 2.479 2.385 2.574 . 0 0 "[ . 1 . 2]" 1
348 1 28 ILE HG12 1 35 VAL HB . . 4.730 4.643 4.558 4.734 0.004 12 0 "[ . 1 . 2]" 1
349 1 28 ILE HG12 1 36 GLU HA . . 4.560 3.020 2.802 3.225 . 0 0 "[ . 1 . 2]" 1
350 1 28 ILE HG13 1 28 ILE MG . . 3.240 3.236 3.225 3.241 0.001 19 0 "[ . 1 . 2]" 1
351 1 28 ILE HG13 1 35 VAL MG2 . . 3.280 3.148 2.882 3.283 0.003 3 0 "[ . 1 . 2]" 1
352 1 28 ILE HG13 1 39 ALA MB . . 4.220 2.875 2.673 3.179 . 0 0 "[ . 1 . 2]" 1
353 1 28 ILE MG 1 29 ALA H . . 4.020 3.388 3.148 3.544 . 0 0 "[ . 1 . 2]" 1
354 1 28 ILE MG 1 29 ALA HA . . 3.500 3.328 3.171 3.525 0.025 2 0 "[ . 1 . 2]" 1
355 1 28 ILE MG 1 29 ALA MB . . 5.500 3.908 3.794 4.154 . 0 0 "[ . 1 . 2]" 1
356 1 28 ILE MG 1 30 ASP H . . 5.500 4.729 4.447 4.978 . 0 0 "[ . 1 . 2]" 1
357 1 28 ILE MG 1 36 GLU H . . 4.500 3.188 2.909 3.360 . 0 0 "[ . 1 . 2]" 1
358 1 28 ILE MG 1 36 GLU HA . . 3.590 2.909 2.375 3.172 . 0 0 "[ . 1 . 2]" 1
359 1 28 ILE MG 1 36 GLU HB2 . . 3.600 3.119 2.871 3.379 . 0 0 "[ . 1 . 2]" 1
360 1 28 ILE MG 1 36 GLU HB3 . . 3.210 2.688 2.356 2.910 . 0 0 "[ . 1 . 2]" 1
361 1 28 ILE MG 1 67 LEU MD2 . . 3.470 2.527 1.831 3.083 . 0 0 "[ . 1 . 2]" 1
362 1 29 ALA H 1 29 ALA MB . . 3.140 2.134 1.964 2.203 . 0 0 "[ . 1 . 2]" 1
363 1 29 ALA H 1 30 ASP H . . 4.040 2.537 2.356 2.752 . 0 0 "[ . 1 . 2]" 1
364 1 29 ALA HA 1 31 GLY H . . 4.820 3.583 3.397 3.770 . 0 0 "[ . 1 . 2]" 1
365 1 29 ALA HA 1 67 LEU MD1 . . 3.890 2.880 2.244 3.652 . 0 0 "[ . 1 . 2]" 1
366 1 29 ALA HA 1 71 ARG HG2 . . 3.990 3.406 2.835 4.053 0.063 12 0 "[ . 1 . 2]" 1
367 1 29 ALA HA 1 71 ARG HG3 . . 4.070 2.975 2.483 3.747 . 0 0 "[ . 1 . 2]" 1
368 1 29 ALA MB 1 30 ASP H . . 3.620 2.859 2.553 3.024 . 0 0 "[ . 1 . 2]" 1
369 1 29 ALA MB 1 30 ASP HA . . 4.980 3.860 3.775 3.937 . 0 0 "[ . 1 . 2]" 1
370 1 29 ALA MB 1 30 ASP QB . . 4.460 4.028 3.906 4.220 . 0 0 "[ . 1 . 2]" 1
371 1 29 ALA MB 1 67 LEU MD1 . . 3.320 2.272 1.923 2.786 . 0 0 "[ . 1 . 2]" 1
372 1 29 ALA MB 1 70 PHE H . . 5.500 4.043 3.814 4.349 . 0 0 "[ . 1 . 2]" 1
373 1 29 ALA MB 1 70 PHE HB2 . . 3.160 2.076 1.878 2.428 . 0 0 "[ . 1 . 2]" 1
374 1 29 ALA MB 1 70 PHE HB3 . . 3.400 2.445 1.921 2.851 . 0 0 "[ . 1 . 2]" 1
375 1 29 ALA MB 1 70 PHE QD . . 3.270 2.255 2.005 2.922 . 0 0 "[ . 1 . 2]" 1
376 1 29 ALA MB 1 71 ARG H . . 4.760 3.054 2.763 3.311 . 0 0 "[ . 1 . 2]" 1
377 1 29 ALA MB 1 71 ARG HA . . 3.570 3.412 2.875 3.571 0.001 18 0 "[ . 1 . 2]" 1
378 1 29 ALA MB 1 71 ARG HG2 . . 3.630 3.723 3.148 4.283 0.653 20 3 "[ . 1 - . * +]" 1
379 1 30 ASP H 1 30 ASP QB . . 3.240 2.071 1.986 2.224 . 0 0 "[ . 1 . 2]" 1
380 1 30 ASP QB 1 31 GLY H . . 4.130 3.198 2.997 3.373 . 0 0 "[ . 1 . 2]" 1
381 1 31 GLY H 1 32 GLY H . . 3.600 3.625 3.608 3.646 0.046 2 0 "[ . 1 . 2]" 1
382 1 31 GLY H 1 35 VAL MG1 . . 4.760 2.654 2.519 2.782 . 0 0 "[ . 1 . 2]" 1
383 1 31 GLY HA2 1 35 VAL MG1 . . 3.970 3.701 3.580 3.785 . 0 0 "[ . 1 . 2]" 1
384 1 31 GLY HA2 1 35 VAL MG2 . . 4.300 4.299 4.139 4.324 0.024 16 0 "[ . 1 . 2]" 1
385 1 31 GLY HA3 1 35 VAL HB . . 3.940 2.206 2.152 2.264 . 0 0 "[ . 1 . 2]" 1
386 1 31 GLY HA3 1 35 VAL MG1 . . 3.470 2.179 2.009 2.277 . 0 0 "[ . 1 . 2]" 1
387 1 31 GLY HA3 1 35 VAL MG2 . . 3.820 3.074 2.987 3.122 . 0 0 "[ . 1 . 2]" 1
388 1 32 GLY H 1 33 PRO HD2 . . 4.260 4.283 4.254 4.320 0.060 2 0 "[ . 1 . 2]" 1
389 1 32 GLY H 1 33 PRO HD3 . . 4.820 4.650 4.638 4.666 . 0 0 "[ . 1 . 2]" 1
390 1 32 GLY H 1 35 VAL HB . . 4.890 2.632 2.577 2.709 . 0 0 "[ . 1 . 2]" 1
391 1 32 GLY H 1 35 VAL MG1 . . 4.390 1.855 1.803 1.906 . 0 0 "[ . 1 . 2]" 1
392 1 32 GLY HA2 1 33 PRO HD3 . . 3.050 2.927 2.908 2.949 . 0 0 "[ . 1 . 2]" 1
393 1 32 GLY HA2 1 35 VAL MG1 . . 5.500 3.614 3.560 3.682 . 0 0 "[ . 1 . 2]" 1
394 1 32 GLY HA3 1 33 PRO HD2 . . 2.400 2.197 2.196 2.200 . 0 0 "[ . 1 . 2]" 1
395 1 32 GLY HA3 1 33 PRO HD3 . . 2.400 2.152 2.135 2.167 . 0 0 "[ . 1 . 2]" 1
396 1 33 PRO HA 1 36 GLU H . . 4.480 3.675 3.608 3.798 . 0 0 "[ . 1 . 2]" 1
397 1 33 PRO HA 1 36 GLU HB3 . . 4.340 3.369 3.060 3.650 . 0 0 "[ . 1 . 2]" 1
398 1 33 PRO HA 1 36 GLU QG . . 3.210 2.600 2.340 2.997 . 0 0 "[ . 1 . 2]" 1
399 1 33 PRO HD3 1 34 GLU H . . 4.940 3.800 3.753 3.812 . 0 0 "[ . 1 . 2]" 1
400 1 34 GLU H 1 34 GLU QB . . 3.750 2.250 2.119 2.325 . 0 0 "[ . 1 . 2]" 1
401 1 34 GLU H 1 34 GLU HG2 . . 4.580 4.532 4.115 4.743 0.163 12 0 "[ . 1 . 2]" 1
402 1 34 GLU H 1 35 VAL H . . 4.100 2.293 2.229 2.471 . 0 0 "[ . 1 . 2]" 1
403 1 34 GLU HA 1 34 GLU HG2 . . 3.700 2.879 2.227 3.523 . 0 0 "[ . 1 . 2]" 1
404 1 34 GLU HA 1 34 GLU HG3 . . 3.360 2.341 2.003 2.823 . 0 0 "[ . 1 . 2]" 1
405 1 34 GLU HA 1 37 THR H . . 3.970 3.562 3.374 3.685 . 0 0 "[ . 1 . 2]" 1
406 1 34 GLU HA 1 37 THR MG . . 5.410 4.090 3.796 4.344 . 0 0 "[ . 1 . 2]" 1
407 1 34 GLU HA 1 38 ILE MD . . 4.610 3.468 2.931 3.980 . 0 0 "[ . 1 . 2]" 1
408 1 34 GLU QB 1 35 VAL H . . 4.180 2.538 2.296 2.728 . 0 0 "[ . 1 . 2]" 1
409 1 34 GLU QB 1 35 VAL MG1 . . 4.380 4.301 4.214 4.359 . 0 0 "[ . 1 . 2]" 1
410 1 34 GLU QB 1 38 ILE MD . . 4.130 3.477 3.016 3.881 . 0 0 "[ . 1 . 2]" 1
411 1 34 GLU HG3 1 38 ILE MD . . 4.220 3.430 2.003 5.198 0.978 14 2 "[ . 1 +. -]" 1
412 1 35 VAL H 1 35 VAL HB . . 3.310 2.234 2.170 2.268 . 0 0 "[ . 1 . 2]" 1
413 1 35 VAL H 1 35 VAL MG1 . . 3.530 2.319 2.280 2.456 . 0 0 "[ . 1 . 2]" 1
414 1 35 VAL H 1 35 VAL MG2 . . 4.020 3.655 3.622 3.671 . 0 0 "[ . 1 . 2]" 1
415 1 35 VAL H 1 36 GLU H . . 3.650 2.653 2.563 2.825 . 0 0 "[ . 1 . 2]" 1
416 1 35 VAL HA 1 35 VAL MG1 . . 3.280 3.203 3.201 3.207 . 0 0 "[ . 1 . 2]" 1
417 1 35 VAL HA 1 35 VAL MG2 . . 3.240 2.097 2.087 2.109 . 0 0 "[ . 1 . 2]" 1
418 1 35 VAL HA 1 38 ILE HB . . 3.890 3.026 2.950 3.158 . 0 0 "[ . 1 . 2]" 1
419 1 35 VAL HA 1 38 ILE MD . . 3.650 3.142 2.759 3.418 . 0 0 "[ . 1 . 2]" 1
420 1 35 VAL HB 1 36 GLU H . . 3.780 3.780 3.732 3.820 0.040 2 0 "[ . 1 . 2]" 1
421 1 35 VAL MG1 1 36 GLU H . . 4.230 1.899 1.865 1.926 . 0 0 "[ . 1 . 2]" 1
422 1 35 VAL MG1 1 36 GLU HB3 . . 3.290 2.991 2.895 3.077 . 0 0 "[ . 1 . 2]" 1
423 1 35 VAL MG1 1 36 GLU QG . . 5.180 4.058 3.948 4.250 . 0 0 "[ . 1 . 2]" 1
424 1 35 VAL MG2 1 36 GLU H . . 4.400 3.943 3.886 3.985 . 0 0 "[ . 1 . 2]" 1
425 1 36 GLU H 1 36 GLU HB2 . . 3.570 3.465 3.422 3.490 . 0 0 "[ . 1 . 2]" 1
426 1 36 GLU H 1 36 GLU HB3 . . 3.510 2.178 2.116 2.220 . 0 0 "[ . 1 . 2]" 1
427 1 36 GLU H 1 36 GLU QG . . 3.750 2.708 2.630 2.873 . 0 0 "[ . 1 . 2]" 1
428 1 36 GLU HA 1 36 GLU QG . . 3.130 3.271 3.239 3.285 0.155 16 0 "[ . 1 . 2]" 1
429 1 36 GLU HA 1 39 ALA H . . 4.010 4.038 4.017 4.060 0.050 18 0 "[ . 1 . 2]" 1
430 1 36 GLU HA 1 39 ALA MB . . 3.560 2.675 2.600 2.802 . 0 0 "[ . 1 . 2]" 1
431 1 36 GLU HA 1 40 LEU H . . 4.590 3.600 3.474 3.795 . 0 0 "[ . 1 . 2]" 1
432 1 36 GLU HB2 1 40 LEU MD1 . . 3.550 2.782 2.549 3.064 . 0 0 "[ . 1 . 2]" 1
433 1 36 GLU HB2 1 40 LEU MD2 . . 4.490 4.466 4.317 4.524 0.034 20 0 "[ . 1 . 2]" 1
434 1 36 GLU HB3 1 37 THR H . . 4.280 4.052 3.984 4.086 . 0 0 "[ . 1 . 2]" 1
435 1 36 GLU QG 1 37 THR H . . 3.490 2.718 2.609 2.804 . 0 0 "[ . 1 . 2]" 1
436 1 36 GLU QG 1 37 THR HA . . 4.600 3.250 3.181 3.317 . 0 0 "[ . 1 . 2]" 1
437 1 36 GLU QG 1 37 THR HB . . 5.150 4.009 3.806 4.199 . 0 0 "[ . 1 . 2]" 1
438 1 37 THR H 1 37 THR HB . . 3.300 2.387 2.236 2.562 . 0 0 "[ . 1 . 2]" 1
439 1 37 THR H 1 37 THR MG . . 4.360 3.728 3.676 3.749 . 0 0 "[ . 1 . 2]" 1
440 1 37 THR H 1 38 ILE H . . 3.570 2.477 2.276 2.586 . 0 0 "[ . 1 . 2]" 1
441 1 37 THR H 1 40 LEU H . . 4.000 4.099 4.075 4.142 0.142 11 0 "[ . 1 . 2]" 1
442 1 37 THR HA 1 37 THR MG . . 3.370 2.369 2.174 2.479 . 0 0 "[ . 1 . 2]" 1
443 1 37 THR HA 1 40 LEU H . . 4.960 3.635 3.554 3.848 . 0 0 "[ . 1 . 2]" 1
444 1 37 THR HA 1 40 LEU HB2 . . 4.030 2.871 2.809 2.938 . 0 0 "[ . 1 . 2]" 1
445 1 37 THR HA 1 40 LEU HB3 . . 4.840 4.465 4.404 4.562 . 0 0 "[ . 1 . 2]" 1
446 1 37 THR HA 1 40 LEU MD1 . . 4.070 3.435 3.327 3.650 . 0 0 "[ . 1 . 2]" 1
447 1 37 THR HB 1 38 ILE H . . 3.740 2.332 2.166 2.634 . 0 0 "[ . 1 . 2]" 1
448 1 37 THR HB 1 38 ILE MD . . 4.220 2.404 2.127 2.836 . 0 0 "[ . 1 . 2]" 1
449 1 37 THR HB 1 38 ILE HG13 . . 4.760 4.109 3.726 4.593 . 0 0 "[ . 1 . 2]" 1
450 1 37 THR MG 1 38 ILE H . . 4.610 3.314 2.971 3.603 . 0 0 "[ . 1 . 2]" 1
451 1 37 THR MG 1 38 ILE HA . . 4.340 3.697 3.370 4.082 . 0 0 "[ . 1 . 2]" 1
452 1 37 THR MG 1 38 ILE HG13 . . 5.020 3.548 3.117 3.929 . 0 0 "[ . 1 . 2]" 1
453 1 37 THR MG 1 41 GLN HE21 . . 5.500 4.431 2.286 5.526 0.026 9 0 "[ . 1 . 2]" 1
454 1 37 THR MG 1 41 GLN HG3 . . 4.730 4.066 2.845 4.744 0.014 17 0 "[ . 1 . 2]" 1
455 1 38 ILE H 1 38 ILE HB . . 3.290 2.266 2.201 2.358 . 0 0 "[ . 1 . 2]" 1
456 1 38 ILE H 1 38 ILE MD . . 4.190 2.092 1.964 2.189 . 0 0 "[ . 1 . 2]" 1
457 1 38 ILE H 1 38 ILE HG12 . . 3.990 3.942 3.821 3.994 0.004 14 0 "[ . 1 . 2]" 1
458 1 38 ILE H 1 38 ILE HG13 . . 3.710 3.117 2.959 3.389 . 0 0 "[ . 1 . 2]" 1
459 1 38 ILE H 1 38 ILE MG . . 4.050 3.664 3.630 3.698 . 0 0 "[ . 1 . 2]" 1
460 1 38 ILE H 1 39 ALA H . . 3.810 2.619 2.470 2.690 . 0 0 "[ . 1 . 2]" 1
461 1 38 ILE HA 1 38 ILE MD . . 3.400 3.317 3.094 3.400 . 0 0 "[ . 1 . 2]" 1
462 1 38 ILE HA 1 38 ILE HG12 . . 3.640 3.388 3.281 3.460 . 0 0 "[ . 1 . 2]" 1
463 1 38 ILE HA 1 38 ILE HG13 . . 3.860 2.207 2.141 2.296 . 0 0 "[ . 1 . 2]" 1
464 1 38 ILE HA 1 38 ILE MG . . 3.440 2.503 2.437 2.592 . 0 0 "[ . 1 . 2]" 1
465 1 38 ILE HA 1 40 LEU H . . 5.000 4.344 4.117 4.611 . 0 0 "[ . 1 . 2]" 1
466 1 38 ILE HA 1 41 GLN H . . 4.560 3.388 2.991 3.846 . 0 0 "[ . 1 . 2]" 1
467 1 38 ILE HA 1 41 GLN HB2 . . 3.820 2.632 1.988 3.378 . 0 0 "[ . 1 . 2]" 1
468 1 38 ILE HA 1 41 GLN HB3 . . 3.740 3.026 2.660 3.439 . 0 0 "[ . 1 . 2]" 1
469 1 38 ILE HB 1 38 ILE MD . . 2.960 1.997 1.958 2.144 . 0 0 "[ . 1 . 2]" 1
470 1 38 ILE HB 1 39 ALA H . . 3.660 2.751 2.564 2.861 . 0 0 "[ . 1 . 2]" 1
471 1 38 ILE MD 1 39 ALA H . . 4.340 3.889 3.647 4.072 . 0 0 "[ . 1 . 2]" 1
472 1 38 ILE HG12 1 38 ILE MG . . 3.150 2.102 2.020 2.217 . 0 0 "[ . 1 . 2]" 1
473 1 38 ILE HG13 1 38 ILE MG . . 3.270 2.818 2.740 2.909 . 0 0 "[ . 1 . 2]" 1
474 1 38 ILE HG13 1 39 ALA H . . 5.500 4.874 4.782 4.983 . 0 0 "[ . 1 . 2]" 1
475 1 38 ILE MG 1 39 ALA H . . 4.170 3.278 3.136 3.442 . 0 0 "[ . 1 . 2]" 1
476 1 38 ILE MG 1 39 ALA HA . . 4.110 3.354 3.165 3.545 . 0 0 "[ . 1 . 2]" 1
477 1 38 ILE MG 1 41 GLN HB3 . . 4.660 4.154 3.788 4.415 . 0 0 "[ . 1 . 2]" 1
478 1 38 ILE MG 1 42 ASN QB . . 4.510 3.357 2.714 3.617 . 0 0 "[ . 1 . 2]" 1
479 1 38 ILE MG 1 42 ASN HD21 . . 4.750 2.854 1.974 4.320 . 0 0 "[ . 1 . 2]" 1
480 1 38 ILE MG 1 42 ASN HD22 . . 4.310 3.345 2.050 4.757 0.447 20 0 "[ . 1 . 2]" 1
481 1 39 ALA H 1 39 ALA MB . . 3.100 2.128 2.088 2.142 . 0 0 "[ . 1 . 2]" 1
482 1 39 ALA HA 1 40 LEU H . . 3.600 3.607 3.580 3.629 0.029 14 0 "[ . 1 . 2]" 1
483 1 39 ALA HA 1 42 ASN H . . 4.390 3.674 3.372 3.931 . 0 0 "[ . 1 . 2]" 1
484 1 39 ALA HA 1 42 ASN QB . . 3.910 2.769 2.305 3.100 . 0 0 "[ . 1 . 2]" 1
485 1 39 ALA HA 1 43 ASN QD . . 4.060 3.916 3.727 4.066 0.006 9 0 "[ . 1 . 2]" 1
486 1 39 ALA MB 1 40 LEU H . . 3.110 2.554 2.396 2.701 . 0 0 "[ . 1 . 2]" 1
487 1 39 ALA MB 1 40 LEU HA . . 5.070 3.852 3.806 3.903 . 0 0 "[ . 1 . 2]" 1
488 1 39 ALA MB 1 40 LEU MD2 . . 3.600 3.601 3.504 3.648 0.048 17 0 "[ . 1 . 2]" 1
489 1 39 ALA MB 1 43 ASN QD . . 4.210 3.016 2.531 3.735 . 0 0 "[ . 1 . 2]" 1
490 1 39 ALA MB 1 52 LEU MD1 . . 4.940 4.401 3.940 4.812 . 0 0 "[ . 1 . 2]" 1
491 1 40 LEU H 1 40 LEU HB2 . . 3.530 2.277 2.220 2.329 . 0 0 "[ . 1 . 2]" 1
492 1 40 LEU H 1 40 LEU HB3 . . 3.870 3.515 3.490 3.539 . 0 0 "[ . 1 . 2]" 1
493 1 40 LEU H 1 40 LEU MD1 . . 4.780 3.757 3.695 3.868 . 0 0 "[ . 1 . 2]" 1
494 1 40 LEU H 1 40 LEU MD2 . . 4.610 3.558 3.456 3.668 . 0 0 "[ . 1 . 2]" 1
495 1 40 LEU H 1 40 LEU HG . . 3.510 2.602 2.495 2.735 . 0 0 "[ . 1 . 2]" 1
496 1 40 LEU H 1 41 GLN H . . 3.590 2.612 2.395 2.833 . 0 0 "[ . 1 . 2]" 1
497 1 40 LEU HA 1 40 LEU MD1 . . 4.300 3.821 3.780 3.845 . 0 0 "[ . 1 . 2]" 1
498 1 40 LEU HA 1 40 LEU MD2 . . 3.270 2.050 1.955 2.111 . 0 0 "[ . 1 . 2]" 1
499 1 40 LEU HA 1 40 LEU HG . . 3.870 3.008 2.982 3.036 . 0 0 "[ . 1 . 2]" 1
500 1 40 LEU HA 1 52 LEU MD1 . . 4.680 3.779 3.052 4.440 . 0 0 "[ . 1 . 2]" 1
501 1 40 LEU HA 1 53 TYR QE . . 4.300 4.113 3.794 4.303 0.003 20 0 "[ . 1 . 2]" 1
502 1 40 LEU HB2 1 40 LEU MD1 . . 3.350 2.275 2.234 2.458 . 0 0 "[ . 1 . 2]" 1
503 1 40 LEU HB2 1 40 LEU MD2 . . 3.630 3.211 3.208 3.219 . 0 0 "[ . 1 . 2]" 1
504 1 40 LEU HB2 1 41 GLN H . . 3.870 2.588 2.280 3.121 . 0 0 "[ . 1 . 2]" 1
505 1 40 LEU HB3 1 40 LEU MD1 . . 3.510 2.407 2.215 2.450 . 0 0 "[ . 1 . 2]" 1
506 1 40 LEU HB3 1 40 LEU MD2 . . 3.490 2.368 2.338 2.429 . 0 0 "[ . 1 . 2]" 1
507 1 40 LEU HB3 1 41 GLN H . . 4.470 3.407 2.941 3.991 . 0 0 "[ . 1 . 2]" 1
508 1 40 LEU HB3 1 53 TYR QE . . 4.290 4.006 2.871 4.296 0.006 11 0 "[ . 1 . 2]" 1
509 1 40 LEU MD1 1 41 GLN H . . 5.450 4.494 4.177 4.933 . 0 0 "[ . 1 . 2]" 1
510 1 40 LEU MD1 1 53 TYR QE . . 5.000 4.543 2.883 4.993 . 0 0 "[ . 1 . 2]" 1
511 1 40 LEU MD2 1 41 GLN H . . 5.500 4.663 4.498 4.783 . 0 0 "[ . 1 . 2]" 1
512 1 40 LEU MD2 1 52 LEU MD1 . . 3.250 2.605 2.086 3.215 . 0 0 "[ . 1 . 2]" 1
513 1 40 LEU MD2 1 52 LEU MD2 . . 3.600 2.845 2.121 3.503 . 0 0 "[ . 1 . 2]" 1
514 1 40 LEU MD2 1 53 TYR QD . . 4.360 4.062 3.602 4.304 . 0 0 "[ . 1 . 2]" 1
515 1 40 LEU MD2 1 53 TYR QE . . 4.050 2.912 2.343 3.212 . 0 0 "[ . 1 . 2]" 1
516 1 40 LEU HG 1 41 GLN H . . 4.510 4.537 4.434 4.618 0.108 8 0 "[ . 1 . 2]" 1
517 1 41 GLN H 1 41 GLN HB2 . . 3.310 2.083 2.021 2.124 . 0 0 "[ . 1 . 2]" 1
518 1 41 GLN H 1 41 GLN HB3 . . 3.370 3.156 2.935 3.416 0.046 4 0 "[ . 1 . 2]" 1
519 1 41 GLN H 1 41 GLN HG3 . . 3.960 3.688 2.997 4.274 0.314 15 0 "[ . 1 . 2]" 1
520 1 41 GLN H 1 42 ASN H . . 3.880 2.769 2.375 2.967 . 0 0 "[ . 1 . 2]" 1
521 1 41 GLN HA 1 41 GLN HG2 . . 3.650 2.563 2.101 3.064 . 0 0 "[ . 1 . 2]" 1
522 1 41 GLN HA 1 44 ARG QB . . 4.830 2.919 1.927 3.727 . 0 0 "[ . 1 . 2]" 1
523 1 41 GLN HA 1 44 ARG QG . . 3.710 2.792 1.984 3.586 . 0 0 "[ . 1 . 2]" 1
524 1 41 GLN HB2 1 42 ASN H . . 4.190 3.556 3.069 3.924 . 0 0 "[ . 1 . 2]" 1
525 1 41 GLN HB3 1 42 ASN H . . 4.210 3.260 2.809 3.654 . 0 0 "[ . 1 . 2]" 1
526 1 42 ASN H 1 42 ASN QB . . 3.610 2.101 2.024 2.253 . 0 0 "[ . 1 . 2]" 1
527 1 42 ASN H 1 43 ASN H . . 4.490 2.507 2.213 2.660 . 0 0 "[ . 1 . 2]" 1
528 1 42 ASN QB 1 43 ASN H . . 4.850 2.365 2.173 2.886 . 0 0 "[ . 1 . 2]" 1
529 1 43 ASN HB3 1 46 ASN QB . . 4.020 3.643 3.288 4.006 . 0 0 "[ . 1 . 2]" 1
530 1 43 ASN HB3 1 49 PHE HB3 . . 3.440 2.606 2.002 3.506 0.066 6 0 "[ . 1 . 2]" 1
531 1 44 ARG H 1 44 ARG QG . . 4.530 2.930 2.179 3.826 . 0 0 "[ . 1 . 2]" 1
532 1 44 ARG H 1 45 GLU H . . 5.100 2.944 2.815 3.136 . 0 0 "[ . 1 . 2]" 1
533 1 44 ARG HA 1 44 ARG HD2 . . 4.730 4.243 2.786 4.697 . 0 0 "[ . 1 . 2]" 1
534 1 44 ARG HA 1 44 ARG HD3 . . 4.940 3.823 2.898 4.565 . 0 0 "[ . 1 . 2]" 1
535 1 44 ARG HA 1 44 ARG QG . . 3.990 2.147 1.977 2.387 . 0 0 "[ . 1 . 2]" 1
536 1 44 ARG HA 1 53 TYR QE . . 4.000 3.312 2.761 3.994 . 0 0 "[ . 1 . 2]" 1
537 1 44 ARG QB 1 44 ARG HD2 . . 3.880 2.594 2.004 3.328 . 0 0 "[ . 1 . 2]" 1
538 1 44 ARG QB 1 44 ARG HD3 . . 3.900 2.526 1.982 3.394 . 0 0 "[ . 1 . 2]" 1
539 1 44 ARG QB 1 45 GLU H . . 4.260 2.537 2.146 2.922 . 0 0 "[ . 1 . 2]" 1
540 1 44 ARG QB 1 45 GLU QG . . 3.610 3.428 3.086 3.639 0.029 10 0 "[ . 1 . 2]" 1
541 1 44 ARG QG 1 53 TYR QE . . 4.780 3.520 2.849 4.764 . 0 0 "[ . 1 . 2]" 1
542 1 45 GLU H 1 45 GLU QG . . 4.390 2.676 1.898 3.067 . 0 0 "[ . 1 . 2]" 1
543 1 45 GLU H 1 46 ASN H . . 4.010 2.621 2.351 2.890 . 0 0 "[ . 1 . 2]" 1
544 1 45 GLU HA 1 45 GLU QG . . 3.160 2.336 2.041 3.333 0.173 10 0 "[ . 1 . 2]" 1
545 1 45 GLU HB3 1 45 GLU QG . . 2.550 2.417 2.232 2.566 0.016 4 0 "[ . 1 . 2]" 1
546 1 47 GLN HA 1 47 GLN QG . . 3.730 2.171 1.995 2.445 . 0 0 "[ . 1 . 2]" 1
547 1 47 GLN QB 1 48 ALA H . . 4.720 2.749 2.498 3.061 . 0 0 "[ . 1 . 2]" 1
548 1 48 ALA H 1 48 ALA MB . . 3.570 2.012 1.937 2.120 . 0 0 "[ . 1 . 2]" 1
549 1 48 ALA H 1 49 PHE H . . 3.980 2.971 2.887 3.123 . 0 0 "[ . 1 . 2]" 1
550 1 48 ALA MB 1 49 PHE H . . 4.190 2.494 2.231 2.688 . 0 0 "[ . 1 . 2]" 1
551 1 48 ALA MB 1 49 PHE HA . . 3.840 3.771 3.692 3.847 0.007 1 0 "[ . 1 . 2]" 1
552 1 48 ALA MB 1 49 PHE QD . . 3.900 3.603 2.831 3.906 0.006 3 0 "[ . 1 . 2]" 1
553 1 48 ALA MB 1 49 PHE QE . . 4.680 4.228 3.646 4.636 . 0 0 "[ . 1 . 2]" 1
554 1 49 PHE H 1 49 PHE HB2 . . 3.890 2.168 2.064 2.404 . 0 0 "[ . 1 . 2]" 1
555 1 49 PHE H 1 49 PHE HB3 . . 3.420 3.430 3.390 3.482 0.062 16 0 "[ . 1 . 2]" 1
556 1 49 PHE H 1 49 PHE QD . . 3.370 2.772 2.190 3.204 . 0 0 "[ . 1 . 2]" 1
557 1 49 PHE HA 1 49 PHE QD . . 3.570 2.506 2.063 3.064 . 0 0 "[ . 1 . 2]" 1
558 1 49 PHE HA 1 51 PHE H . . 3.870 3.221 3.023 3.455 . 0 0 "[ . 1 . 2]" 1
559 1 49 PHE HA 1 51 PHE QD . . 3.340 2.824 2.659 3.046 . 0 0 "[ . 1 . 2]" 1
560 1 49 PHE HB2 1 50 SER H . . 5.060 4.467 4.377 4.556 . 0 0 "[ . 1 . 2]" 1
561 1 49 PHE HB2 1 52 LEU MD1 . . 4.120 3.419 3.077 4.109 . 0 0 "[ . 1 . 2]" 1
562 1 49 PHE HB2 1 53 TYR QE . . 4.220 4.061 3.418 4.223 0.003 11 0 "[ . 1 . 2]" 1
563 1 49 PHE HB3 1 50 SER H . . 4.850 4.405 4.323 4.468 . 0 0 "[ . 1 . 2]" 1
564 1 49 PHE HB3 1 52 LEU MD1 . . 4.400 2.057 1.771 2.866 . 0 0 "[ . 1 . 2]" 1
565 1 49 PHE HB3 1 52 LEU HG . . 4.950 3.564 2.858 4.381 . 0 0 "[ . 1 . 2]" 1
566 1 49 PHE HB3 1 53 TYR QE . . 4.210 4.187 4.107 4.229 0.019 6 0 "[ . 1 . 2]" 1
567 1 49 PHE QD 1 52 LEU MD1 . . 3.990 2.316 1.906 2.894 . 0 0 "[ . 1 . 2]" 1
568 1 50 SER H 1 50 SER QB . . 3.360 2.755 2.158 2.878 . 0 0 "[ . 1 . 2]" 1
569 1 50 SER H 1 51 PHE H . . 3.550 2.175 2.123 2.284 . 0 0 "[ . 1 . 2]" 1
570 1 50 SER H 1 51 PHE QD . . 4.500 3.234 2.863 3.692 . 0 0 "[ . 1 . 2]" 1
571 1 50 SER H 1 52 LEU H . . 4.380 3.940 3.783 4.123 . 0 0 "[ . 1 . 2]" 1
572 1 50 SER HA 1 53 TYR QD . . 4.020 2.212 2.000 2.484 . 0 0 "[ . 1 . 2]" 1
573 1 50 SER HA 1 53 TYR QE . . 4.170 2.888 2.674 3.188 . 0 0 "[ . 1 . 2]" 1
574 1 50 SER QB 1 51 PHE H . . 4.160 3.646 3.059 3.842 . 0 0 "[ . 1 . 2]" 1
575 1 50 SER QB 1 52 LEU H . . 4.660 4.564 4.478 4.651 . 0 0 "[ . 1 . 2]" 1
576 1 50 SER QB 1 53 TYR QD . . 3.320 3.292 3.103 3.323 0.003 15 0 "[ . 1 . 2]" 1
577 1 50 SER QB 1 53 TYR QE . . 4.390 4.080 3.518 4.398 0.008 6 0 "[ . 1 . 2]" 1
578 1 51 PHE H 1 51 PHE HB2 . . 3.990 3.459 3.420 3.478 . 0 0 "[ . 1 . 2]" 1
579 1 51 PHE H 1 51 PHE HB3 . . 3.670 2.317 2.146 2.503 . 0 0 "[ . 1 . 2]" 1
580 1 51 PHE H 1 51 PHE QD . . 3.280 2.290 1.998 2.677 . 0 0 "[ . 1 . 2]" 1
581 1 51 PHE H 1 52 LEU H . . 3.350 2.660 2.571 2.734 . 0 0 "[ . 1 . 2]" 1
582 1 51 PHE HA 1 51 PHE QD . . 3.890 3.725 3.620 3.761 . 0 0 "[ . 1 . 2]" 1
583 1 51 PHE HB2 1 60 TYR H . . 4.650 2.981 2.434 3.355 . 0 0 "[ . 1 . 2]" 1
584 1 51 PHE HB2 1 60 TYR HA . . 3.610 3.584 3.465 3.613 0.003 4 0 "[ . 1 . 2]" 1
585 1 51 PHE QD 1 52 LEU HA . . 3.360 3.134 2.710 3.363 0.003 4 0 "[ . 1 . 2]" 1
586 1 51 PHE QD 1 52 LEU MD2 . . 3.530 2.972 2.403 3.505 . 0 0 "[ . 1 . 2]" 1
587 1 51 PHE QD 1 52 LEU HG . . 3.830 3.182 2.436 3.511 . 0 0 "[ . 1 . 2]" 1
588 1 51 PHE QD 1 59 GLY HA2 . . 4.590 4.725 4.467 5.511 0.921 6 4 "[* .+ *1 -. 2]" 1
589 1 51 PHE QD 1 60 TYR H . . 4.360 4.050 3.444 4.360 . 0 0 "[ . 1 . 2]" 1
590 1 51 PHE QD 1 60 TYR HA . . 3.330 2.640 2.170 3.032 . 0 0 "[ . 1 . 2]" 1
591 1 51 PHE QE 1 52 LEU MD2 . . 3.730 2.120 1.778 2.818 . 0 0 "[ . 1 . 2]" 1
592 1 52 LEU H 1 52 LEU HB2 . . 3.580 2.322 2.164 2.491 . 0 0 "[ . 1 . 2]" 1
593 1 52 LEU H 1 52 LEU HB3 . . 3.410 3.534 3.360 3.587 0.177 10 0 "[ . 1 . 2]" 1
594 1 52 LEU H 1 52 LEU MD1 . . 4.870 3.542 3.089 4.119 . 0 0 "[ . 1 . 2]" 1
595 1 52 LEU H 1 52 LEU MD2 . . 5.500 3.830 3.500 4.273 . 0 0 "[ . 1 . 2]" 1
596 1 52 LEU H 1 52 LEU HG . . 3.540 2.713 2.300 3.519 . 0 0 "[ . 1 . 2]" 1
597 1 52 LEU H 1 54 ASP H . . 4.700 4.274 4.054 4.660 . 0 0 "[ . 1 . 2]" 1
598 1 52 LEU HA 1 52 LEU MD1 . . 4.070 3.865 3.776 3.943 . 0 0 "[ . 1 . 2]" 1
599 1 52 LEU HA 1 52 LEU MD2 . . 3.530 2.247 1.945 2.678 . 0 0 "[ . 1 . 2]" 1
600 1 52 LEU HA 1 60 TYR QD . . 3.130 2.626 2.103 3.091 . 0 0 "[ . 1 . 2]" 1
601 1 52 LEU HB2 1 52 LEU MD2 . . 3.300 3.190 3.091 3.222 . 0 0 "[ . 1 . 2]" 1
602 1 52 LEU HB2 1 53 TYR H . . 5.500 3.105 2.839 4.122 . 0 0 "[ . 1 . 2]" 1
603 1 52 LEU HB3 1 53 TYR H . . 5.390 3.905 3.344 4.483 . 0 0 "[ . 1 . 2]" 1
604 1 52 LEU HB3 1 53 TYR QD . . 4.680 3.799 3.086 4.461 . 0 0 "[ . 1 . 2]" 1
605 1 52 LEU HB3 1 53 TYR QE . . 4.260 3.790 3.425 4.331 0.071 6 0 "[ . 1 . 2]" 1
606 1 52 LEU MD1 1 53 TYR QE . . 4.760 3.667 3.363 4.052 . 0 0 "[ . 1 . 2]" 1
607 1 52 LEU MD2 1 53 TYR QE . . 5.250 5.125 4.903 5.258 0.008 6 0 "[ . 1 . 2]" 1
608 1 52 LEU MD2 1 60 TYR QD . . 4.640 3.949 3.104 4.363 . 0 0 "[ . 1 . 2]" 1
609 1 53 TYR H 1 53 TYR HB3 . . 4.000 3.565 3.458 3.854 . 0 0 "[ . 1 . 2]" 1
610 1 53 TYR H 1 54 ASP H . . 3.660 2.569 2.092 3.130 . 0 0 "[ . 1 . 2]" 1
611 1 53 TYR HA 1 53 TYR QD . . 3.390 2.515 2.281 2.819 . 0 0 "[ . 1 . 2]" 1
612 1 53 TYR HA 1 53 TYR QE . . 4.850 4.801 4.688 4.897 0.047 6 0 "[ . 1 . 2]" 1
613 1 53 TYR HB3 1 54 ASP H . . 5.240 3.701 3.385 4.612 . 0 0 "[ . 1 . 2]" 1
614 1 54 ASP H 1 54 ASP HB3 . . 3.900 3.374 2.524 3.873 . 0 0 "[ . 1 . 2]" 1
615 1 54 ASP HA 1 55 PRO QB . . 4.940 4.732 4.706 4.762 . 0 0 "[ . 1 . 2]" 1
616 1 54 ASP HA 1 55 PRO HD2 . . 3.030 2.263 2.241 2.295 . 0 0 "[ . 1 . 2]" 1
617 1 54 ASP HA 1 55 PRO HD3 . . 3.080 2.109 2.047 2.182 . 0 0 "[ . 1 . 2]" 1
618 1 54 ASP HA 1 55 PRO HG2 . . 4.650 4.411 4.408 4.417 . 0 0 "[ . 1 . 2]" 1
619 1 54 ASP HA 1 56 ASN H . . 4.860 3.897 3.441 4.223 . 0 0 "[ . 1 . 2]" 1
620 1 54 ASP HB2 1 55 PRO HD3 . . 5.340 4.797 4.546 4.883 . 0 0 "[ . 1 . 2]" 1
621 1 54 ASP HB2 1 57 SER QB . . 4.770 2.876 1.992 3.933 . 0 0 "[ . 1 . 2]" 1
622 1 54 ASP HB3 1 57 SER QB . . 3.770 2.314 1.986 3.803 0.033 4 0 "[ . 1 . 2]" 1
623 1 55 PRO HA 1 57 SER H . . 4.910 3.802 3.530 4.250 . 0 0 "[ . 1 . 2]" 1
624 1 55 PRO HA 1 60 TYR HB3 . . 3.740 2.904 2.265 3.735 . 0 0 "[ . 1 . 2]" 1
625 1 55 PRO HA 1 60 TYR QD . . 3.650 2.716 2.049 3.149 . 0 0 "[ . 1 . 2]" 1
626 1 55 PRO HA 1 60 TYR QE . . 4.330 3.795 3.073 4.243 . 0 0 "[ . 1 . 2]" 1
627 1 55 PRO QB 1 56 ASN H . . 4.170 3.053 2.784 3.539 . 0 0 "[ . 1 . 2]" 1
628 1 55 PRO QB 1 60 TYR QD . . 4.070 3.482 2.781 4.061 . 0 0 "[ . 1 . 2]" 1
629 1 55 PRO QB 1 60 TYR QE . . 3.880 3.292 2.626 3.758 . 0 0 "[ . 1 . 2]" 1
630 1 55 PRO HD2 1 56 ASN H . . 4.110 2.313 2.254 2.421 . 0 0 "[ . 1 . 2]" 1
631 1 55 PRO HD3 1 56 ASN H . . 4.780 3.711 3.655 3.793 . 0 0 "[ . 1 . 2]" 1
632 1 55 PRO HG2 1 56 ASN H . . 4.200 2.694 2.419 3.362 . 0 0 "[ . 1 . 2]" 1
633 1 56 ASN H 1 56 ASN HB2 . . 3.830 2.278 2.066 2.745 . 0 0 "[ . 1 . 2]" 1
634 1 56 ASN H 1 56 ASN HB3 . . 3.520 3.357 2.569 3.564 0.044 20 0 "[ . 1 . 2]" 1
635 1 56 ASN H 1 56 ASN HD21 . . 5.500 3.951 2.084 4.957 . 0 0 "[ . 1 . 2]" 1
636 1 56 ASN H 1 57 SER H . . 3.410 2.899 2.732 3.262 . 0 0 "[ . 1 . 2]" 1
637 1 56 ASN HB2 1 57 SER H . . 4.550 3.333 2.429 4.664 0.114 7 0 "[ . 1 . 2]" 1
638 1 56 ASN HB3 1 57 SER H . . 4.760 3.540 2.544 4.418 . 0 0 "[ . 1 . 2]" 1
639 1 57 SER H 1 57 SER QB . . 3.740 2.149 1.995 2.329 . 0 0 "[ . 1 . 2]" 1
640 1 57 SER QB 1 59 GLY H . . 5.070 2.920 2.235 3.568 . 0 0 "[ . 1 . 2]" 1
641 1 57 SER QB 1 60 TYR H . . 4.750 2.785 2.013 3.850 . 0 0 "[ . 1 . 2]" 1
642 1 57 SER HG 1 60 TYR H . . 5.500 4.323 2.758 5.279 . 0 0 "[ . 1 . 2]" 1
643 1 58 GLN HA 1 58 GLN HG2 . . 3.810 3.085 2.240 3.592 . 0 0 "[ . 1 . 2]" 1
644 1 58 GLN HA 1 58 GLN HG3 . . 3.700 2.438 1.993 3.777 0.077 16 0 "[ . 1 . 2]" 1
645 1 58 GLN HA 1 61 ARG H . . 3.910 3.409 3.175 3.905 . 0 0 "[ . 1 . 2]" 1
646 1 58 GLN HA 1 61 ARG HD2 . . 4.430 2.754 2.022 3.984 . 0 0 "[ . 1 . 2]" 1
647 1 58 GLN HB2 1 58 GLN HG2 . . 2.960 2.792 2.477 3.046 0.086 7 0 "[ . 1 . 2]" 1
648 1 58 GLN HB2 1 59 GLY H . . 5.500 3.194 2.825 3.669 . 0 0 "[ . 1 . 2]" 1
649 1 58 GLN HB3 1 59 GLY H . . 4.940 3.651 3.199 4.108 . 0 0 "[ . 1 . 2]" 1
650 1 59 GLY H 1 60 TYR H . . 4.520 2.832 2.343 3.164 . 0 0 "[ . 1 . 2]" 1
651 1 59 GLY HA2 1 62 TYR H . . 4.680 3.828 3.300 4.253 . 0 0 "[ . 1 . 2]" 1
652 1 59 GLY HA2 1 62 TYR HB3 . . 4.390 2.742 2.243 3.239 . 0 0 "[ . 1 . 2]" 1
653 1 60 TYR H 1 60 TYR HB2 . . 3.760 2.339 2.111 2.516 . 0 0 "[ . 1 . 2]" 1
654 1 60 TYR H 1 60 TYR HB3 . . 3.550 2.329 2.211 2.551 . 0 0 "[ . 1 . 2]" 1
655 1 60 TYR H 1 60 TYR QD . . 4.290 4.065 3.974 4.088 . 0 0 "[ . 1 . 2]" 1
656 1 60 TYR H 1 61 ARG H . . 3.330 2.841 2.667 3.033 . 0 0 "[ . 1 . 2]" 1
657 1 60 TYR HA 1 60 TYR QD . . 3.450 2.749 2.337 3.198 . 0 0 "[ . 1 . 2]" 1
658 1 60 TYR HA 1 63 TYR H . . 3.910 3.540 3.264 3.811 . 0 0 "[ . 1 . 2]" 1
659 1 60 TYR HA 1 63 TYR HB2 . . 3.870 3.568 3.156 3.774 . 0 0 "[ . 1 . 2]" 1
660 1 60 TYR HA 1 63 TYR HB3 . . 3.850 2.349 2.045 2.636 . 0 0 "[ . 1 . 2]" 1
661 1 60 TYR HA 1 63 TYR QD . . 3.300 3.209 2.755 3.304 0.004 20 0 "[ . 1 . 2]" 1
662 1 60 TYR HA 1 64 ARG H . . 4.820 3.986 3.488 4.275 . 0 0 "[ . 1 . 2]" 1
663 1 60 TYR HB2 1 61 ARG H . . 4.700 3.728 3.476 3.954 . 0 0 "[ . 1 . 2]" 1
664 1 60 TYR HB3 1 61 ARG H . . 3.800 2.294 1.988 2.612 . 0 0 "[ . 1 . 2]" 1
665 1 60 TYR QD 1 61 ARG H . . 4.580 3.192 2.735 3.741 . 0 0 "[ . 1 . 2]" 1
666 1 60 TYR QD 1 61 ARG HA . . 3.990 3.304 2.503 3.979 . 0 0 "[ . 1 . 2]" 1
667 1 60 TYR QD 1 61 ARG HG2 . . 5.240 3.898 3.024 5.052 . 0 0 "[ . 1 . 2]" 1
668 1 60 TYR QD 1 61 ARG HG3 . . 4.490 2.864 2.393 3.740 . 0 0 "[ . 1 . 2]" 1
669 1 60 TYR QE 1 64 ARG HD3 . . 4.650 4.162 3.137 5.644 0.994 13 1 "[ . 1 + . 2]" 1
670 1 60 TYR QE 1 64 ARG HG3 . . 4.060 3.176 2.406 3.916 . 0 0 "[ . 1 . 2]" 1
671 1 61 ARG H 1 61 ARG QB . . 3.180 2.312 2.180 2.523 . 0 0 "[ . 1 . 2]" 1
672 1 61 ARG H 1 61 ARG HD2 . . 4.590 3.516 2.101 4.463 . 0 0 "[ . 1 . 2]" 1
673 1 61 ARG H 1 61 ARG HG2 . . 4.070 3.729 3.263 4.070 . 13 0 "[ . 1 . 2]" 1
674 1 61 ARG H 1 61 ARG HG3 . . 3.360 2.489 1.974 3.169 . 0 0 "[ . 1 . 2]" 1
675 1 61 ARG H 1 62 TYR H . . 3.420 2.914 2.709 3.185 . 0 0 "[ . 1 . 2]" 1
676 1 61 ARG HA 1 61 ARG HD2 . . 4.640 4.459 3.670 4.759 0.119 2 0 "[ . 1 . 2]" 1
677 1 61 ARG HA 1 61 ARG HG2 . . 3.430 2.696 2.263 3.330 . 0 0 "[ . 1 . 2]" 1
678 1 61 ARG HA 1 61 ARG HG3 . . 3.220 2.603 2.146 3.036 . 0 0 "[ . 1 . 2]" 1
679 1 61 ARG HA 1 64 ARG H . . 4.290 3.498 3.229 4.128 . 0 0 "[ . 1 . 2]" 1
680 1 61 ARG HA 1 64 ARG HB2 . . 3.670 2.773 2.426 3.295 . 0 0 "[ . 1 . 2]" 1
681 1 61 ARG HA 1 65 GLN H . . 4.990 4.242 3.938 4.743 . 0 0 "[ . 1 . 2]" 1
682 1 61 ARG QB 1 61 ARG HD2 . . 3.280 2.528 2.196 3.048 . 0 0 "[ . 1 . 2]" 1
683 1 61 ARG QB 1 61 ARG HD3 . . 3.160 2.367 1.966 2.865 . 0 0 "[ . 1 . 2]" 1
684 1 61 ARG QB 1 62 TYR H . . 3.760 2.291 2.066 2.569 . 0 0 "[ . 1 . 2]" 1
685 1 61 ARG HD2 1 62 TYR H . . 5.400 4.802 4.199 5.591 0.191 2 0 "[ . 1 . 2]" 1
686 1 62 TYR H 1 62 TYR HB2 . . 3.470 2.583 2.513 2.733 . 0 0 "[ . 1 . 2]" 1
687 1 62 TYR H 1 62 TYR HB3 . . 3.570 2.103 1.989 2.205 . 0 0 "[ . 1 . 2]" 1
688 1 62 TYR H 1 62 TYR QD . . 4.200 3.957 3.819 4.040 . 0 0 "[ . 1 . 2]" 1
689 1 62 TYR HA 1 62 TYR QD . . 3.440 3.324 3.176 3.389 . 0 0 "[ . 1 . 2]" 1
690 1 62 TYR HA 1 63 TYR H . . 3.540 3.584 3.548 3.635 0.095 4 0 "[ . 1 . 2]" 1
691 1 62 TYR HA 1 65 GLN H . . 4.310 3.619 3.319 3.850 . 0 0 "[ . 1 . 2]" 1
692 1 62 TYR HA 1 65 GLN HB3 . . 3.600 3.358 3.027 3.824 0.224 4 0 "[ . 1 . 2]" 1
693 1 62 TYR HA 1 66 LYS H . . 5.000 4.357 4.038 4.663 . 0 0 "[ . 1 . 2]" 1
694 1 62 TYR HB3 1 63 TYR H . . 3.370 2.733 2.388 2.910 . 0 0 "[ . 1 . 2]" 1
695 1 62 TYR QD 1 63 TYR H . . 3.920 2.667 2.311 2.837 . 0 0 "[ . 1 . 2]" 1
696 1 62 TYR QD 1 63 TYR HA . . 3.550 2.519 2.392 2.976 . 0 0 "[ . 1 . 2]" 1
697 1 62 TYR QD 1 66 LYS H . . 5.200 4.854 4.677 5.029 . 0 0 "[ . 1 . 2]" 1
698 1 62 TYR QE 1 66 LYS HE2 . . 4.580 3.666 2.899 5.094 0.514 5 2 "[ + 1 - 2]" 1
699 1 62 TYR QE 1 66 LYS HE3 . . 5.080 4.533 3.564 5.080 . 0 0 "[ . 1 . 2]" 1
700 1 62 TYR QE 1 66 LYS HG2 . . 4.770 4.165 3.867 4.513 . 0 0 "[ . 1 . 2]" 1
701 1 62 TYR QE 1 66 LYS HG3 . . 4.290 3.284 2.926 3.552 . 0 0 "[ . 1 . 2]" 1
702 1 63 TYR H 1 63 TYR HB2 . . 3.070 2.723 2.524 2.823 . 0 0 "[ . 1 . 2]" 1
703 1 63 TYR H 1 63 TYR HB3 . . 3.110 1.992 1.937 2.151 . 0 0 "[ . 1 . 2]" 1
704 1 63 TYR H 1 64 ARG H . . 3.370 2.685 2.480 3.072 . 0 0 "[ . 1 . 2]" 1
705 1 63 TYR HA 1 63 TYR QD . . 3.590 3.121 2.892 3.353 . 0 0 "[ . 1 . 2]" 1
706 1 63 TYR HA 1 66 LYS H . . 4.220 3.681 3.511 3.840 . 0 0 "[ . 1 . 2]" 1
707 1 63 TYR HA 1 66 LYS HB2 . . 3.200 3.078 2.855 3.203 0.003 1 0 "[ . 1 . 2]" 1
708 1 63 TYR HB2 1 64 ARG H . . 4.070 3.941 3.667 4.221 0.151 4 0 "[ . 1 . 2]" 1
709 1 63 TYR HB3 1 64 ARG H . . 4.340 2.570 2.183 2.992 . 0 0 "[ . 1 . 2]" 1
710 1 63 TYR QD 1 64 ARG H . . 4.020 2.451 2.022 2.890 . 0 0 "[ . 1 . 2]" 1
711 1 63 TYR QD 1 64 ARG HD3 . . 4.820 4.588 4.059 4.793 . 0 0 "[ . 1 . 2]" 1
712 1 63 TYR QD 1 64 ARG HG2 . . 3.880 2.311 2.049 2.479 . 0 0 "[ . 1 . 2]" 1
713 1 63 TYR QD 1 64 ARG HG3 . . 3.940 3.432 2.789 3.690 . 0 0 "[ . 1 . 2]" 1
714 1 63 TYR QE 1 64 ARG HD2 . . 4.520 4.378 3.863 4.523 0.003 3 0 "[ . 1 . 2]" 1
715 1 63 TYR QE 1 64 ARG HD3 . . 4.390 4.054 3.561 4.388 . 0 0 "[ . 1 . 2]" 1
716 1 63 TYR QE 1 67 LEU MD2 . . 4.330 2.903 2.189 3.450 . 0 0 "[ . 1 . 2]" 1
717 1 64 ARG H 1 64 ARG HB2 . . 3.350 2.160 2.063 2.292 . 0 0 "[ . 1 . 2]" 1
718 1 64 ARG H 1 64 ARG HB3 . . 3.830 3.444 3.324 3.529 . 0 0 "[ . 1 . 2]" 1
719 1 64 ARG H 1 64 ARG HG2 . . 3.920 3.030 2.671 3.374 . 0 0 "[ . 1 . 2]" 1
720 1 64 ARG H 1 64 ARG HG3 . . 3.990 3.488 3.184 3.939 . 0 0 "[ . 1 . 2]" 1
721 1 64 ARG H 1 65 GLN H . . 3.550 2.786 2.497 3.076 . 0 0 "[ . 1 . 2]" 1
722 1 64 ARG HA 1 64 ARG HD2 . . 3.750 2.871 2.433 4.307 0.557 13 1 "[ . 1 + . 2]" 1
723 1 64 ARG HA 1 64 ARG HG2 . . 4.130 2.204 2.123 2.328 . 0 0 "[ . 1 . 2]" 1
724 1 64 ARG HA 1 67 LEU H . . 4.040 3.366 3.178 3.578 . 0 0 "[ . 1 . 2]" 1
725 1 64 ARG HA 1 67 LEU HB2 . . 3.610 2.661 2.468 2.875 . 0 0 "[ . 1 . 2]" 1
726 1 64 ARG HA 1 67 LEU HB3 . . 4.250 3.006 2.678 3.264 . 0 0 "[ . 1 . 2]" 1
727 1 64 ARG HA 1 67 LEU MD2 . . 4.190 2.946 2.787 3.097 . 0 0 "[ . 1 . 2]" 1
728 1 64 ARG HA 1 68 ASP H . . 5.500 4.246 3.963 4.579 . 0 0 "[ . 1 . 2]" 1
729 1 64 ARG HB2 1 65 GLN H . . 3.680 2.778 2.555 3.069 . 0 0 "[ . 1 . 2]" 1
730 1 64 ARG HB3 1 64 ARG HD2 . . 3.720 2.586 2.298 2.925 . 0 0 "[ . 1 . 2]" 1
731 1 64 ARG HB3 1 64 ARG HD3 . . 3.590 3.516 2.089 3.643 0.053 9 0 "[ . 1 . 2]" 1
732 1 64 ARG HB3 1 65 GLN H . . 4.260 3.166 2.960 3.487 . 0 0 "[ . 1 . 2]" 1
733 1 64 ARG HB3 1 65 GLN HA . . 4.320 3.887 3.781 4.067 . 0 0 "[ . 1 . 2]" 1
734 1 64 ARG HD2 1 67 LEU MD2 . . 5.080 3.342 2.773 4.923 . 0 0 "[ . 1 . 2]" 1
735 1 64 ARG HD3 1 67 LEU MD2 . . 5.240 3.869 3.318 4.271 . 0 0 "[ . 1 . 2]" 1
736 1 64 ARG HG2 1 67 LEU MD2 . . 3.730 3.651 3.408 3.742 0.012 5 0 "[ . 1 . 2]" 1
737 1 65 GLN H 1 65 GLN HB2 . . 3.090 2.163 2.071 2.311 . 0 0 "[ . 1 . 2]" 1
738 1 65 GLN H 1 65 GLN HB3 . . 3.070 2.860 2.670 3.007 . 0 0 "[ . 1 . 2]" 1
739 1 65 GLN H 1 65 GLN HG2 . . 4.440 4.420 4.105 4.577 0.137 16 0 "[ . 1 . 2]" 1
740 1 65 GLN H 1 65 GLN HG3 . . 4.860 4.177 3.995 4.505 . 0 0 "[ . 1 . 2]" 1
741 1 65 GLN H 1 66 LYS H . . 3.430 2.980 2.807 3.149 . 0 0 "[ . 1 . 2]" 1
742 1 65 GLN H 1 67 LEU H . . 4.520 4.103 3.894 4.368 . 0 0 "[ . 1 . 2]" 1
743 1 65 GLN HA 1 65 GLN HB2 . . 2.990 2.638 2.522 2.724 . 0 0 "[ . 1 . 2]" 1
744 1 65 GLN HA 1 65 GLN HG2 . . 3.710 2.747 2.076 3.585 . 0 0 "[ . 1 . 2]" 1
745 1 65 GLN HA 1 65 GLN HG3 . . 3.220 2.616 2.173 3.282 0.062 18 0 "[ . 1 . 2]" 1
746 1 65 GLN HA 1 68 ASP H . . 3.840 3.480 3.229 3.839 . 0 0 "[ . 1 . 2]" 1
747 1 65 GLN HA 1 68 ASP HB2 . . 3.780 3.375 3.150 3.644 . 0 0 "[ . 1 . 2]" 1
748 1 65 GLN HA 1 68 ASP HB3 . . 3.740 3.439 3.049 3.745 0.005 5 0 "[ . 1 . 2]" 1
749 1 65 GLN HB2 1 66 LYS H . . 3.650 3.500 3.394 3.644 . 0 0 "[ . 1 . 2]" 1
750 1 65 GLN HB3 1 66 LYS H . . 3.710 2.329 2.151 2.563 . 0 0 "[ . 1 . 2]" 1
751 1 65 GLN HG3 1 66 LYS H . . 5.180 4.813 4.353 5.156 . 0 0 "[ . 1 . 2]" 1
752 1 66 LYS H 1 66 LYS HB2 . . 3.530 2.366 2.125 2.523 . 0 0 "[ . 1 . 2]" 1
753 1 66 LYS H 1 66 LYS HG2 . . 3.590 2.268 1.965 2.863 . 0 0 "[ . 1 . 2]" 1
754 1 66 LYS H 1 66 LYS HG3 . . 3.890 3.498 3.355 3.790 . 0 0 "[ . 1 . 2]" 1
755 1 66 LYS H 1 67 LEU H . . 3.370 2.798 2.642 2.908 . 0 0 "[ . 1 . 2]" 1
756 1 66 LYS HA 1 66 LYS HD2 . . 3.370 3.072 2.154 3.567 0.197 15 0 "[ . 1 . 2]" 1
757 1 66 LYS HA 1 66 LYS HD3 . . 3.570 2.067 1.995 2.269 . 0 0 "[ . 1 . 2]" 1
758 1 66 LYS HA 1 66 LYS HE2 . . 4.670 4.422 3.334 4.671 0.001 14 0 "[ . 1 . 2]" 1
759 1 66 LYS HA 1 66 LYS HE3 . . 4.700 4.569 4.266 4.712 0.012 13 0 "[ . 1 . 2]" 1
760 1 66 LYS HA 1 66 LYS HG2 . . 4.160 2.760 2.494 3.046 . 0 0 "[ . 1 . 2]" 1
761 1 66 LYS HA 1 69 GLU H . . 4.060 3.259 3.070 3.540 . 0 0 "[ . 1 . 2]" 1
762 1 66 LYS HA 1 69 GLU QB . . 3.400 2.030 1.948 2.176 . 0 0 "[ . 1 . 2]" 1
763 1 66 LYS HA 1 70 PHE H . . 5.500 3.719 3.371 4.143 . 0 0 "[ . 1 . 2]" 1
764 1 66 LYS HB2 1 67 LEU H . . 3.140 2.830 2.643 3.045 . 0 0 "[ . 1 . 2]" 1
765 1 66 LYS HB3 1 66 LYS HE2 . . 4.530 4.392 4.004 4.715 0.185 5 0 "[ . 1 . 2]" 1
766 1 66 LYS HB3 1 66 LYS HE3 . . 5.110 4.506 3.769 4.749 . 0 0 "[ . 1 . 2]" 1
767 1 66 LYS HB3 1 67 LEU H . . 5.500 3.668 3.345 3.928 . 0 0 "[ . 1 . 2]" 1
768 1 66 LYS HB3 1 70 PHE QE . . 5.070 2.465 2.029 3.150 . 0 0 "[ . 1 . 2]" 1
769 1 66 LYS HD3 1 70 PHE HZ . . 5.450 3.508 2.501 5.209 . 0 0 "[ . 1 . 2]" 1
770 1 66 LYS HE2 1 70 PHE HZ . . 4.620 4.465 3.977 4.649 0.029 11 0 "[ . 1 . 2]" 1
771 1 66 LYS HE3 1 70 PHE QE . . 4.720 4.258 3.320 5.149 0.429 16 0 "[ . 1 . 2]" 1
772 1 66 LYS HE3 1 70 PHE HZ . . 4.660 3.877 2.578 4.628 . 0 0 "[ . 1 . 2]" 1
773 1 67 LEU H 1 67 LEU HB2 . . 3.040 2.112 2.075 2.138 . 0 0 "[ . 1 . 2]" 1
774 1 67 LEU H 1 67 LEU HB3 . . 3.340 2.825 2.792 2.884 . 0 0 "[ . 1 . 2]" 1
775 1 67 LEU H 1 67 LEU MD1 . . 3.540 3.518 3.412 3.569 0.029 7 0 "[ . 1 . 2]" 1
776 1 67 LEU H 1 67 LEU MD2 . . 4.380 4.101 4.028 4.201 . 0 0 "[ . 1 . 2]" 1
777 1 67 LEU H 1 67 LEU HG . . 4.990 4.514 4.459 4.547 . 0 0 "[ . 1 . 2]" 1
778 1 67 LEU H 1 68 ASP H . . 3.820 2.874 2.684 3.152 . 0 0 "[ . 1 . 2]" 1
779 1 67 LEU H 1 69 GLU H . . 3.990 3.929 3.585 4.017 0.027 11 0 "[ . 1 . 2]" 1
780 1 67 LEU HA 1 67 LEU HB2 . . 2.910 2.632 2.600 2.679 . 0 0 "[ . 1 . 2]" 1
781 1 67 LEU HA 1 67 LEU MD1 . . 3.200 1.994 1.896 2.282 . 0 0 "[ . 1 . 2]" 1
782 1 67 LEU HA 1 67 LEU MD2 . . 4.340 3.796 3.750 3.825 . 0 0 "[ . 1 . 2]" 1
783 1 67 LEU HA 1 70 PHE H . . 4.170 3.792 3.646 3.935 . 0 0 "[ . 1 . 2]" 1
784 1 67 LEU HA 1 70 PHE HB2 . . 3.710 3.369 2.872 3.673 . 0 0 "[ . 1 . 2]" 1
785 1 67 LEU HA 1 71 ARG H . . 5.110 3.728 3.275 3.990 . 0 0 "[ . 1 . 2]" 1
786 1 67 LEU HB2 1 67 LEU MD1 . . 3.060 2.377 2.191 2.472 . 0 0 "[ . 1 . 2]" 1
787 1 67 LEU HB2 1 67 LEU MD2 . . 3.300 2.301 2.179 2.461 . 0 0 "[ . 1 . 2]" 1
788 1 67 LEU HB2 1 68 ASP H . . 3.730 3.522 3.380 3.673 . 0 0 "[ . 1 . 2]" 1
789 1 67 LEU HB3 1 67 LEU MD2 . . 3.570 2.362 2.268 2.482 . 0 0 "[ . 1 . 2]" 1
790 1 67 LEU HB3 1 68 ASP H . . 4.380 2.427 2.032 2.728 . 0 0 "[ . 1 . 2]" 1
791 1 67 LEU MD1 1 70 PHE HB2 . . 4.110 4.015 3.706 4.118 0.008 7 0 "[ . 1 . 2]" 1
792 1 67 LEU MD1 1 71 ARG H . . 5.500 4.422 3.991 4.725 . 0 0 "[ . 1 . 2]" 1
793 1 67 LEU MD1 1 71 ARG HD2 . . 4.180 3.221 2.052 4.183 0.003 11 0 "[ . 1 . 2]" 1
794 1 67 LEU MD2 1 68 ASP H . . 5.500 4.392 4.006 4.640 . 0 0 "[ . 1 . 2]" 1
795 1 67 LEU HG 1 68 ASP H . . 5.040 4.241 3.807 4.565 . 0 0 "[ . 1 . 2]" 1
796 1 67 LEU HG 1 68 ASP HA . . 5.030 4.479 4.184 4.722 . 0 0 "[ . 1 . 2]" 1
797 1 67 LEU HG 1 71 ARG HD2 . . 4.050 2.161 1.998 2.783 . 0 0 "[ . 1 . 2]" 1
798 1 67 LEU HG 1 71 ARG HD3 . . 4.370 3.428 2.402 4.354 . 0 0 "[ . 1 . 2]" 1
799 1 68 ASP H 1 68 ASP HB2 . . 3.540 2.146 2.057 2.308 . 0 0 "[ . 1 . 2]" 1
800 1 68 ASP H 1 68 ASP HB3 . . 3.480 2.854 2.646 3.025 . 0 0 "[ . 1 . 2]" 1
801 1 68 ASP H 1 69 GLU QB . . 5.500 4.249 4.091 4.468 . 0 0 "[ . 1 . 2]" 1
802 1 68 ASP HA 1 71 ARG H . . 4.450 3.656 3.339 4.294 . 0 0 "[ . 1 . 2]" 1
803 1 68 ASP HA 1 71 ARG HD2 . . 3.920 3.611 2.842 4.121 0.201 8 0 "[ . 1 . 2]" 1
804 1 68 ASP HA 1 71 ARG HD3 . . 4.120 3.411 2.467 4.120 . 0 0 "[ . 1 . 2]" 1
805 1 68 ASP HB2 1 69 GLU H . . 3.700 3.551 3.397 3.680 . 0 0 "[ . 1 . 2]" 1
806 1 68 ASP HB3 1 69 GLU H . . 3.190 2.675 2.464 3.096 . 0 0 "[ . 1 . 2]" 1
807 1 69 GLU H 1 69 GLU QB . . 3.130 2.031 1.997 2.137 . 0 0 "[ . 1 . 2]" 1
808 1 69 GLU H 1 69 GLU HG2 . . 4.090 4.286 3.829 4.526 0.436 13 0 "[ . 1 . 2]" 1
809 1 69 GLU H 1 69 GLU HG3 . . 4.400 4.195 4.091 4.404 0.004 18 0 "[ . 1 . 2]" 1
810 1 69 GLU H 1 70 PHE H . . 3.800 2.936 2.792 3.108 . 0 0 "[ . 1 . 2]" 1
811 1 69 GLU HA 1 69 GLU HG2 . . 3.620 3.205 2.318 3.923 0.303 19 0 "[ . 1 . 2]" 1
812 1 69 GLU HA 1 69 GLU HG3 . . 3.970 2.758 2.138 3.573 . 0 0 "[ . 1 . 2]" 1
813 1 69 GLU QB 1 69 GLU HG3 . . 2.460 2.404 2.206 2.522 0.062 20 0 "[ . 1 . 2]" 1
814 1 69 GLU QB 1 70 PHE H . . 3.640 2.418 2.153 2.763 . 0 0 "[ . 1 . 2]" 1
815 1 69 GLU HG2 1 70 PHE H . . 5.500 4.726 3.548 5.190 . 0 0 "[ . 1 . 2]" 1
816 1 69 GLU HG3 1 70 PHE QD . . 4.690 4.573 3.287 4.997 0.307 3 0 "[ . 1 . 2]" 1
817 1 70 PHE H 1 70 PHE HB2 . . 4.050 2.470 2.332 2.593 . 0 0 "[ . 1 . 2]" 1
818 1 70 PHE H 1 70 PHE HB3 . . 3.720 3.471 3.449 3.499 . 0 0 "[ . 1 . 2]" 1
819 1 70 PHE H 1 70 PHE QD . . 4.370 2.791 2.505 3.105 . 0 0 "[ . 1 . 2]" 1
820 1 70 PHE H 1 71 ARG H . . 3.800 2.724 2.565 3.040 . 0 0 "[ . 1 . 2]" 1
821 1 70 PHE HA 1 70 PHE QD . . 3.830 2.108 2.004 2.212 . 0 0 "[ . 1 . 2]" 1
822 1 70 PHE HB2 1 71 ARG H . . 4.370 2.242 2.056 2.411 . 0 0 "[ . 1 . 2]" 1
823 1 70 PHE HB2 1 71 ARG HA . . 4.860 3.941 3.782 4.167 . 0 0 "[ . 1 . 2]" 1
824 1 70 PHE HB3 1 71 ARG H . . 4.270 3.487 3.121 3.681 . 0 0 "[ . 1 . 2]" 1
825 1 71 ARG H 1 71 ARG QB . . 3.150 2.276 2.102 2.434 . 0 0 "[ . 1 . 2]" 1
826 1 71 ARG H 1 71 ARG HG2 . . 4.210 3.763 3.031 4.126 . 0 0 "[ . 1 . 2]" 1
827 1 71 ARG H 1 71 ARG HG3 . . 4.480 2.604 2.154 3.068 . 0 0 "[ . 1 . 2]" 1
828 1 71 ARG H 1 72 LYS H . . 3.830 3.257 2.964 3.827 . 0 0 "[ . 1 . 2]" 1
829 1 71 ARG HA 1 71 ARG HG2 . . 3.950 2.554 2.193 2.926 . 0 0 "[ . 1 . 2]" 1
830 1 71 ARG HA 1 71 ARG HG3 . . 3.650 2.615 2.207 3.218 . 0 0 "[ . 1 . 2]" 1
831 1 71 ARG QB 1 71 ARG HD2 . . 2.990 2.779 2.538 3.059 0.069 19 0 "[ . 1 . 2]" 1
832 1 71 ARG QB 1 71 ARG HD3 . . 3.060 2.176 1.996 2.330 . 0 0 "[ . 1 . 2]" 1
833 1 71 ARG QB 1 72 LYS H . . 4.630 2.774 2.188 3.971 . 0 0 "[ . 1 . 2]" 1
834 1 72 LYS H 1 72 LYS QB . . 3.200 2.533 2.037 3.235 0.035 2 0 "[ . 1 . 2]" 1
835 1 72 LYS H 1 72 LYS QD . . 4.290 3.875 2.074 4.302 0.012 2 0 "[ . 1 . 2]" 1
836 1 72 LYS H 1 72 LYS HG2 . . 4.170 3.489 2.592 4.163 . 0 0 "[ . 1 . 2]" 1
837 1 72 LYS H 1 72 LYS HG3 . . 4.160 3.391 2.393 4.187 0.027 2 0 "[ . 1 . 2]" 1
838 1 72 LYS H 1 73 SER H . . 3.840 3.414 2.972 3.857 0.017 2 0 "[ . 1 . 2]" 1
839 1 72 LYS HA 1 72 LYS QD . . 3.940 3.269 2.124 3.931 . 0 0 "[ . 1 . 2]" 1
840 1 72 LYS HA 1 72 LYS HG2 . . 3.530 2.468 2.203 3.357 . 0 0 "[ . 1 . 2]" 1
841 1 72 LYS HA 1 72 LYS HG3 . . 3.720 2.958 2.033 3.657 . 0 0 "[ . 1 . 2]" 1
842 1 72 LYS QB 1 73 SER H . . 4.800 3.179 2.132 4.016 . 0 0 "[ . 1 . 2]" 1
843 1 74 GLY QA 1 75 PRO QD . . 2.890 1.973 1.893 2.068 . 0 0 "[ . 1 . 2]" 1
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