NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400864 |
1v80   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1v80
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 833
_Distance_constraint_stats_list.Viol_count 877
_Distance_constraint_stats_list.Viol_total 729.528
_Distance_constraint_stats_list.Viol_max 1.486
_Distance_constraint_stats_list.Viol_rms 0.0515
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0832
_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 1 MET 0.000 0.000 . 0 "[ . 1]"
1 2 GLN 1.916 0.463 9 0 "[ . 1]"
1 3 ILE 3.177 0.463 9 0 "[ . 1]"
1 4 PHE 3.402 0.191 9 0 "[ . 1]"
1 5 VAL 1.259 0.240 9 0 "[ . 1]"
1 6 LYS 0.744 0.061 6 0 "[ . 1]"
1 7 THR 0.642 0.108 2 0 "[ . 1]"
1 8 LEU 2.917 0.238 6 0 "[ . 1]"
1 9 THR 0.635 0.108 2 0 "[ . 1]"
1 10 GLY 0.009 0.009 2 0 "[ . 1]"
1 11 LYS 5.942 1.486 2 5 "[ +-*. * *]"
1 12 THR 6.564 1.486 2 5 "[ +-*. * *]"
1 13 ILE 0.435 0.053 5 0 "[ . 1]"
1 14 THR 1.227 0.325 7 0 "[ . 1]"
1 15 LEU 0.344 0.093 2 0 "[ . 1]"
1 16 GLU 0.178 0.092 7 0 "[ . 1]"
1 17 VAL 0.599 0.092 7 0 "[ . 1]"
1 18 GLU 0.000 0.000 . 0 "[ . 1]"
1 19 PRO 0.428 0.105 10 0 "[ . 1]"
1 20 SER 0.454 0.095 4 0 "[ . 1]"
1 21 ASP 0.062 0.023 7 0 "[ . 1]"
1 22 THR 1.965 0.116 1 0 "[ . 1]"
1 23 ILE 1.588 0.107 8 0 "[ . 1]"
1 24 GLU 0.108 0.087 8 0 "[ . 1]"
1 25 ASN 3.225 0.159 8 0 "[ . 1]"
1 26 VAL 1.829 0.159 8 0 "[ . 1]"
1 27 LYS 1.586 0.143 8 0 "[ . 1]"
1 28 ALA 1.363 0.100 3 0 "[ . 1]"
1 29 LYS 3.203 0.203 8 0 "[ . 1]"
1 30 ILE 7.221 0.211 7 0 "[ . 1]"
1 31 GLN 1.922 0.210 4 0 "[ . 1]"
1 32 ASP 0.092 0.045 4 0 "[ . 1]"
1 33 LYS 0.195 0.072 7 0 "[ . 1]"
1 34 GLU 0.187 0.045 4 0 "[ . 1]"
1 35 GLY 0.252 0.072 7 0 "[ . 1]"
1 36 ILE 1.858 0.165 9 0 "[ . 1]"
1 37 PRO 1.629 0.165 9 0 "[ . 1]"
1 38 PRO 6.390 0.643 8 10 [***-***+**]
1 39 ASP 7.536 0.643 8 10 [***-***+**]
1 40 GLN 3.167 0.299 5 0 "[ . 1]"
1 41 GLN 2.765 0.247 4 0 "[ . 1]"
1 42 ARG 0.775 0.338 5 0 "[ . 1]"
1 43 LEU 0.629 0.298 10 0 "[ . 1]"
1 44 ILE 0.919 0.064 8 0 "[ . 1]"
1 45 PHE 1.431 0.928 8 1 "[ . + 1]"
1 46 ALA 0.253 0.104 9 0 "[ . 1]"
1 47 GLY 0.000 0.000 . 0 "[ . 1]"
1 48 LYS 0.008 0.005 7 0 "[ . 1]"
1 49 GLN 0.537 0.338 5 0 "[ . 1]"
1 50 LEU 0.332 0.040 5 0 "[ . 1]"
1 51 GLU 1.823 0.273 6 0 "[ . 1]"
1 52 ASP 1.922 0.273 6 0 "[ . 1]"
1 53 GLY 0.040 0.040 10 0 "[ . 1]"
1 54 ARG 4.055 0.284 10 0 "[ . 1]"
1 55 THR 5.004 0.284 10 0 "[ . 1]"
1 56 LEU 3.993 0.116 1 0 "[ . 1]"
1 57 SER 0.274 0.058 8 0 "[ . 1]"
1 58 ASP 1.207 0.174 8 0 "[ . 1]"
1 59 TYR 0.297 0.053 8 0 "[ . 1]"
1 60 ASN 2.086 0.928 8 1 "[ . + 1]"
1 61 ILE 2.811 0.173 2 0 "[ . 1]"
1 62 GLN 0.671 0.129 6 0 "[ . 1]"
1 63 LYS 2.032 0.219 1 0 "[ . 1]"
1 64 GLU 2.132 0.219 1 0 "[ . 1]"
1 65 SER 1.623 0.410 6 0 "[ . 1]"
1 66 THR 1.718 0.191 9 0 "[ . 1]"
1 67 LEU 1.757 0.240 9 0 "[ . 1]"
1 68 HIS 0.960 0.062 9 0 "[ . 1]"
1 69 LEU 0.240 0.084 2 0 "[ . 1]"
1 70 VAL 1.192 0.072 9 0 "[ . 1]"
1 71 LEU 0.948 0.193 4 0 "[ . 1]"
1 72 ARG 0.531 0.174 6 0 "[ . 1]"
1 73 LEU 5.468 1.066 7 4 "[ - +**1]"
1 74 ARG 4.680 1.066 7 4 "[ - +**1]"
1 75 GLY 0.000 0.000 . 0 "[ . 1]"
1 76 GLY 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 GLN H . . 3.060 2.310 2.247 2.365 . 0 0 "[ . 1]" 1
2 1 1 MET HB3 1 2 GLN H . . 4.220 4.006 3.841 4.218 . 0 0 "[ . 1]" 1
3 1 2 GLN H 1 2 GLN HB3 . . 3.730 3.701 3.232 3.892 0.162 3 0 "[ . 1]" 1
4 1 2 GLN H 1 3 ILE H . . 4.780 4.091 3.817 4.497 . 0 0 "[ . 1]" 1
5 1 2 GLN H 1 3 ILE MG . . 4.760 3.884 3.578 4.187 . 0 0 "[ . 1]" 1
6 1 2 GLN H 1 63 LYS HA . . 4.960 2.992 2.658 3.452 . 0 0 "[ . 1]" 1
7 1 2 GLN HA 1 3 ILE H . . 2.920 2.260 2.203 2.461 . 0 0 "[ . 1]" 1
8 1 2 GLN HA 1 3 ILE MG . . 4.550 3.854 3.105 4.334 . 0 0 "[ . 1]" 1
9 1 2 GLN HA 1 17 VAL H . . 4.140 3.761 3.173 4.080 . 0 0 "[ . 1]" 1
10 1 2 GLN HA 1 17 VAL MG2 . . 4.680 4.475 4.134 4.648 . 0 0 "[ . 1]" 1
11 1 2 GLN HB3 1 3 ILE H . . 4.040 3.747 2.556 4.503 0.463 9 0 "[ . 1]" 1
12 1 2 GLN HB3 1 14 THR MG . . 3.510 2.796 2.455 3.574 0.064 4 0 "[ . 1]" 1
13 1 2 GLN HE21 1 14 THR MG . . 4.210 3.180 2.782 3.745 . 0 0 "[ . 1]" 1
14 1 2 GLN HE22 1 14 THR MG . . 3.890 3.739 2.802 4.215 0.325 7 0 "[ . 1]" 1
15 1 3 ILE H 1 3 ILE HB . . 3.990 3.671 3.531 3.957 . 0 0 "[ . 1]" 1
16 1 3 ILE H 1 3 ILE MD . . 4.410 3.744 3.561 4.313 . 0 0 "[ . 1]" 1
17 1 3 ILE H 1 3 ILE HG13 . . 3.940 2.509 1.931 3.332 . 0 0 "[ . 1]" 1
18 1 3 ILE H 1 3 ILE MG . . 3.860 2.713 2.390 3.261 . 0 0 "[ . 1]" 1
19 1 3 ILE H 1 14 THR MG . . 4.340 4.043 3.348 4.377 0.037 8 0 "[ . 1]" 1
20 1 3 ILE H 1 15 LEU H . . 3.770 3.068 2.455 3.535 . 0 0 "[ . 1]" 1
21 1 3 ILE H 1 15 LEU HB3 . . 4.870 4.368 3.879 4.884 0.014 7 0 "[ . 1]" 1
22 1 3 ILE H 1 16 GLU HA . . 4.410 3.486 3.229 3.720 . 0 0 "[ . 1]" 1
23 1 3 ILE H 1 17 VAL MG2 . . 4.330 3.564 3.373 4.067 . 0 0 "[ . 1]" 1
24 1 3 ILE HA 1 3 ILE MD . . 4.060 3.981 3.607 4.121 0.061 4 0 "[ . 1]" 1
25 1 3 ILE HA 1 3 ILE MG . . 3.250 2.267 2.082 2.456 . 0 0 "[ . 1]" 1
26 1 3 ILE HA 1 4 PHE H . . 3.190 2.571 2.417 2.711 . 0 0 "[ . 1]" 1
27 1 3 ILE HA 1 4 PHE QD . . 4.730 3.494 3.233 3.690 . 0 0 "[ . 1]" 1
28 1 3 ILE HA 1 64 GLU H . . 3.990 2.896 2.744 3.113 . 0 0 "[ . 1]" 1
29 1 3 ILE HA 1 64 GLU HA . . 3.890 2.997 2.684 3.174 . 0 0 "[ . 1]" 1
30 1 3 ILE HA 1 65 SER H . . 4.300 2.470 1.929 3.079 . 0 0 "[ . 1]" 1
31 1 3 ILE HA 1 67 LEU QD . . 4.200 4.240 4.171 4.338 0.138 5 0 "[ . 1]" 1
32 1 3 ILE HB 1 4 PHE QD . . 4.920 4.725 4.477 4.908 . 0 0 "[ . 1]" 1
33 1 3 ILE MD 1 4 PHE H . . 4.350 3.468 2.663 4.263 . 0 0 "[ . 1]" 1
34 1 3 ILE MD 1 15 LEU H . . 4.870 4.390 3.522 4.963 0.093 2 0 "[ . 1]" 1
35 1 3 ILE MD 1 15 LEU HB3 . . 4.070 3.189 2.631 3.765 . 0 0 "[ . 1]" 1
36 1 3 ILE HG13 1 3 ILE MG . . 3.580 3.090 2.790 3.239 . 0 0 "[ . 1]" 1
37 1 3 ILE HG13 1 4 PHE H . . 4.200 3.694 3.066 4.223 0.023 8 0 "[ . 1]" 1
38 1 3 ILE HG13 1 15 LEU H . . 4.310 3.377 3.062 3.672 . 0 0 "[ . 1]" 1
39 1 3 ILE HG13 1 17 VAL MG2 . . 3.840 2.934 2.497 3.620 . 0 0 "[ . 1]" 1
40 1 3 ILE MG 1 4 PHE H . . 3.860 3.707 3.359 3.960 0.100 2 0 "[ . 1]" 1
41 1 3 ILE MG 1 4 PHE QD . . 5.170 4.894 4.488 5.215 0.045 9 0 "[ . 1]" 1
42 1 3 ILE MG 1 17 VAL H . . 4.620 3.779 2.895 4.346 . 0 0 "[ . 1]" 1
43 1 3 ILE MG 1 63 LYS H . . 4.730 4.651 4.431 4.787 0.057 5 0 "[ . 1]" 1
44 1 3 ILE MG 1 63 LYS HA . . 3.890 2.797 2.577 2.956 . 0 0 "[ . 1]" 1
45 1 3 ILE MG 1 64 GLU H . . 3.930 2.929 2.666 3.119 . 0 0 "[ . 1]" 1
46 1 3 ILE MG 1 64 GLU HA . . 4.500 4.088 3.639 4.303 . 0 0 "[ . 1]" 1
47 1 3 ILE MG 1 65 SER H . . 3.610 2.172 1.896 2.520 . 0 0 "[ . 1]" 1
48 1 3 ILE MG 1 65 SER HA . . 5.040 4.273 3.799 4.740 . 0 0 "[ . 1]" 1
49 1 3 ILE MG 1 65 SER HB3 . . 3.790 3.745 3.424 4.200 0.410 6 0 "[ . 1]" 1
50 1 4 PHE H 1 4 PHE HB3 . . 4.160 3.751 3.696 3.825 . 0 0 "[ . 1]" 1
51 1 4 PHE H 1 4 PHE QD . . 3.730 2.957 2.687 3.110 . 0 0 "[ . 1]" 1
52 1 4 PHE H 1 4 PHE QE . . 4.870 4.786 4.540 4.924 0.054 4 0 "[ . 1]" 1
53 1 4 PHE H 1 5 VAL H . . 4.820 4.393 4.342 4.446 . 0 0 "[ . 1]" 1
54 1 4 PHE H 1 14 THR MG . . 5.020 5.037 4.912 5.101 0.081 6 0 "[ . 1]" 1
55 1 4 PHE H 1 64 GLU HA . . 4.770 4.684 4.324 4.816 0.046 7 0 "[ . 1]" 1
56 1 4 PHE H 1 65 SER H . . 4.980 4.019 3.298 4.635 . 0 0 "[ . 1]" 1
57 1 4 PHE H 1 66 THR HA . . 3.900 2.241 2.122 2.421 . 0 0 "[ . 1]" 1
58 1 4 PHE H 1 66 THR HB . . 5.060 5.122 5.052 5.230 0.170 10 0 "[ . 1]" 1
59 1 4 PHE H 1 66 THR MG . . 3.740 3.818 3.745 3.931 0.191 9 0 "[ . 1]" 1
60 1 4 PHE H 1 67 LEU H . . 4.640 3.416 3.314 3.609 . 0 0 "[ . 1]" 1
61 1 4 PHE H 1 67 LEU QD . . 3.900 2.811 2.635 3.183 . 0 0 "[ . 1]" 1
62 1 4 PHE HA 1 4 PHE QD . . 3.320 2.814 2.701 2.932 . 0 0 "[ . 1]" 1
63 1 4 PHE HA 1 5 VAL H . . 3.100 2.691 2.568 2.787 . 0 0 "[ . 1]" 1
64 1 4 PHE HA 1 5 VAL QG . . 4.600 3.190 2.967 3.291 . 0 0 "[ . 1]" 1
65 1 4 PHE HA 1 12 THR MG . . 4.100 4.020 3.810 4.145 0.045 7 0 "[ . 1]" 1
66 1 4 PHE HA 1 13 ILE H . . 4.950 4.410 4.310 4.655 . 0 0 "[ . 1]" 1
67 1 4 PHE HA 1 14 THR HA . . 3.800 2.304 2.105 2.459 . 0 0 "[ . 1]" 1
68 1 4 PHE HA 1 14 THR MG . . 4.600 3.702 3.599 3.783 . 0 0 "[ . 1]" 1
69 1 4 PHE HA 1 15 LEU H . . 4.270 3.152 2.980 3.287 . 0 0 "[ . 1]" 1
70 1 4 PHE HA 1 66 THR MG . . 4.730 4.106 3.993 4.188 . 0 0 "[ . 1]" 1
71 1 4 PHE HB3 1 5 VAL H . . 4.020 2.179 2.048 2.361 . 0 0 "[ . 1]" 1
72 1 4 PHE HB3 1 12 THR MG . . 3.360 2.176 1.968 2.362 . 0 0 "[ . 1]" 1
73 1 4 PHE HB3 1 66 THR HA . . 4.250 3.575 3.493 3.845 . 0 0 "[ . 1]" 1
74 1 4 PHE HB3 1 66 THR MG . . 4.330 2.608 2.494 2.819 . 0 0 "[ . 1]" 1
75 1 4 PHE HB3 1 67 LEU H . . 4.860 4.505 4.362 4.625 . 0 0 "[ . 1]" 1
76 1 4 PHE QD 1 5 VAL H . . 4.160 3.953 3.876 4.071 . 0 0 "[ . 1]" 1
77 1 4 PHE QD 1 12 THR MG . . 3.260 2.714 2.621 2.807 . 0 0 "[ . 1]" 1
78 1 4 PHE QD 1 14 THR H . . 4.890 3.808 3.643 4.069 . 0 0 "[ . 1]" 1
79 1 4 PHE QD 1 14 THR HA . . 3.590 2.193 1.998 2.424 . 0 0 "[ . 1]" 1
80 1 4 PHE QD 1 14 THR HB . . 4.850 4.230 3.962 4.479 . 0 0 "[ . 1]" 1
81 1 4 PHE QD 1 14 THR MG . . 3.460 2.553 2.463 2.737 . 0 0 "[ . 1]" 1
82 1 4 PHE QD 1 15 LEU H . . 4.260 4.032 3.925 4.182 . 0 0 "[ . 1]" 1
83 1 4 PHE QD 1 15 LEU QD . . 5.210 4.585 4.249 4.980 . 0 0 "[ . 1]" 1
84 1 4 PHE QD 1 64 GLU HA . . 4.130 3.233 3.025 3.410 . 0 0 "[ . 1]" 1
85 1 4 PHE QD 1 64 GLU HB3 . . 4.880 4.234 4.017 4.483 . 0 0 "[ . 1]" 1
86 1 4 PHE QD 1 65 SER H . . 4.920 4.184 3.741 4.564 . 0 0 "[ . 1]" 1
87 1 4 PHE QD 1 66 THR HA . . 4.190 3.103 2.999 3.213 . 0 0 "[ . 1]" 1
88 1 4 PHE QD 1 66 THR MG . . 4.500 3.505 3.423 3.587 . 0 0 "[ . 1]" 1
89 1 4 PHE QD 1 67 LEU H . . 4.990 5.036 4.978 5.126 0.136 9 0 "[ . 1]" 1
90 1 4 PHE QE 1 12 THR MG . . 3.930 3.965 3.942 4.017 0.087 5 0 "[ . 1]" 1
91 1 4 PHE QE 1 14 THR HA . . 5.170 3.732 3.505 3.888 . 0 0 "[ . 1]" 1
92 1 4 PHE QE 1 14 THR MG . . 3.180 1.994 1.853 2.194 . 0 0 "[ . 1]" 1
93 1 4 PHE QE 1 15 LEU H . . 4.960 4.840 4.579 4.985 0.025 3 0 "[ . 1]" 1
94 1 4 PHE QE 1 64 GLU H . . 4.640 4.096 4.048 4.128 . 0 0 "[ . 1]" 1
95 1 4 PHE QE 1 64 GLU HB3 . . 3.360 2.536 2.322 2.805 . 0 0 "[ . 1]" 1
96 1 4 PHE QE 1 64 GLU HG3 . . 4.130 3.921 3.582 4.157 0.027 2 0 "[ . 1]" 1
97 1 5 VAL H 1 5 VAL HB . . 3.510 3.219 2.672 3.607 0.097 10 0 "[ . 1]" 1
98 1 5 VAL H 1 5 VAL QG . . 3.540 2.597 2.244 3.054 . 0 0 "[ . 1]" 1
99 1 5 VAL H 1 6 LYS H . . 4.840 4.278 4.249 4.340 . 0 0 "[ . 1]" 1
100 1 5 VAL H 1 12 THR HA . . 4.790 3.360 3.167 3.481 . 0 0 "[ . 1]" 1
101 1 5 VAL H 1 12 THR MG . . 3.800 3.102 2.829 3.343 . 0 0 "[ . 1]" 1
102 1 5 VAL H 1 13 ILE H . . 3.670 2.517 2.276 2.778 . 0 0 "[ . 1]" 1
103 1 5 VAL H 1 13 ILE MG . . 4.410 4.396 4.244 4.458 0.048 8 0 "[ . 1]" 1
104 1 5 VAL H 1 14 THR HA . . 4.420 4.297 4.018 4.474 0.054 2 0 "[ . 1]" 1
105 1 5 VAL H 1 66 THR MG . . 4.680 2.872 2.577 3.208 . 0 0 "[ . 1]" 1
106 1 5 VAL HA 1 5 VAL QG . . 3.160 2.303 2.107 2.466 . 0 0 "[ . 1]" 1
107 1 5 VAL HA 1 6 LYS H . . 2.980 2.282 2.231 2.371 . 0 0 "[ . 1]" 1
108 1 5 VAL HA 1 66 THR MG . . 4.190 2.895 2.663 3.164 . 0 0 "[ . 1]" 1
109 1 5 VAL HA 1 67 LEU H . . 3.730 2.038 1.893 2.202 . 0 0 "[ . 1]" 1
110 1 5 VAL HA 1 67 LEU HG . . 4.560 4.630 4.597 4.800 0.240 9 0 "[ . 1]" 1
111 1 5 VAL HB 1 6 LYS H . . 4.160 4.063 3.797 4.218 0.058 3 0 "[ . 1]" 1
112 1 5 VAL QG 1 6 LYS H . . 3.010 2.230 2.108 2.361 . 0 0 "[ . 1]" 1
113 1 5 VAL QG 1 6 LYS HA . . 4.190 3.519 3.266 3.806 . 0 0 "[ . 1]" 1
114 1 5 VAL QG 1 66 THR HA . . 4.910 4.506 4.306 4.676 . 0 0 "[ . 1]" 1
115 1 5 VAL QG 1 68 HIS HA . . 3.700 3.220 2.550 3.529 . 0 0 "[ . 1]" 1
116 1 5 VAL QG 1 69 LEU H . . 3.750 2.514 2.336 2.879 . 0 0 "[ . 1]" 1
117 1 5 VAL QG 1 69 LEU HB3 . . 3.080 2.287 2.095 2.507 . 0 0 "[ . 1]" 1
118 1 6 LYS H 1 6 LYS HB3 . . 3.580 3.394 3.202 3.545 . 0 0 "[ . 1]" 1
119 1 6 LYS H 1 6 LYS HG3 . . 4.480 3.891 3.695 4.213 . 0 0 "[ . 1]" 1
120 1 6 LYS H 1 7 THR MG . . 4.780 4.371 4.224 4.645 . 0 0 "[ . 1]" 1
121 1 6 LYS H 1 67 LEU H . . 4.350 3.855 3.622 4.061 . 0 0 "[ . 1]" 1
122 1 6 LYS H 1 68 HIS H . . 4.780 4.058 3.910 4.200 . 0 0 "[ . 1]" 1
123 1 6 LYS H 1 68 HIS HA . . 3.630 2.262 1.914 2.429 . 0 0 "[ . 1]" 1
124 1 6 LYS H 1 68 HIS HD2 . . 4.490 4.317 3.622 4.540 0.050 7 0 "[ . 1]" 1
125 1 6 LYS H 1 69 LEU H . . 4.300 2.769 2.502 3.276 . 0 0 "[ . 1]" 1
126 1 6 LYS HA 1 6 LYS HG3 . . 4.220 2.892 2.486 3.425 . 0 0 "[ . 1]" 1
127 1 6 LYS HA 1 7 THR H . . 2.940 2.180 2.177 2.187 . 0 0 "[ . 1]" 1
128 1 6 LYS HA 1 7 THR MG . . 3.850 3.532 3.204 3.897 0.047 4 0 "[ . 1]" 1
129 1 6 LYS HA 1 12 THR MG . . 4.700 4.692 4.576 4.761 0.061 6 0 "[ . 1]" 1
130 1 6 LYS HA 1 13 ILE H . . 4.210 4.206 4.107 4.263 0.053 5 0 "[ . 1]" 1
131 1 6 LYS HB3 1 7 THR H . . 3.970 3.797 3.577 4.006 0.036 1 0 "[ . 1]" 1
132 1 6 LYS HB3 1 68 HIS HA . . 4.030 3.515 3.194 4.035 0.005 2 0 "[ . 1]" 1
133 1 6 LYS HG3 1 66 THR MG . . 3.510 2.492 2.113 2.988 . 0 0 "[ . 1]" 1
134 1 7 THR H 1 7 THR MG . . 3.230 2.285 1.937 2.650 . 0 0 "[ . 1]" 1
135 1 7 THR H 1 8 LEU H . . 4.970 4.488 4.284 4.591 . 0 0 "[ . 1]" 1
136 1 7 THR H 1 9 THR MG . . 3.870 3.898 3.827 3.978 0.108 2 0 "[ . 1]" 1
137 1 7 THR H 1 10 GLY H . . 4.760 3.386 2.930 3.705 . 0 0 "[ . 1]" 1
138 1 7 THR H 1 11 LYS H . . 3.970 3.217 2.191 4.048 0.078 8 0 "[ . 1]" 1
139 1 7 THR HA 1 7 THR MG . . 3.240 2.487 2.261 2.706 . 0 0 "[ . 1]" 1
140 1 7 THR HA 1 8 LEU H . . 3.200 2.644 2.378 2.952 . 0 0 "[ . 1]" 1
141 1 7 THR HA 1 69 LEU H . . 4.270 3.023 2.513 3.370 . 0 0 "[ . 1]" 1
142 1 7 THR HA 1 69 LEU HB3 . . 4.120 2.304 1.979 2.556 . 0 0 "[ . 1]" 1
143 1 7 THR HA 1 69 LEU MD1 . . 4.570 4.290 4.020 4.587 0.017 3 0 "[ . 1]" 1
144 1 7 THR MG 1 8 LEU H . . 3.970 3.817 3.654 3.968 . 0 0 "[ . 1]" 1
145 1 7 THR MG 1 9 THR H . . 4.520 4.261 3.986 4.375 . 0 0 "[ . 1]" 1
146 1 7 THR MG 1 10 GLY H . . 5.010 4.305 3.857 4.898 . 0 0 "[ . 1]" 1
147 1 7 THR MG 1 11 LYS H . . 4.370 3.688 2.524 4.270 . 0 0 "[ . 1]" 1
148 1 7 THR MG 1 11 LYS HA . . 4.980 4.746 4.322 5.019 0.039 10 0 "[ . 1]" 1
149 1 7 THR MG 1 11 LYS HB3 . . 3.620 2.882 2.395 3.238 . 0 0 "[ . 1]" 1
150 1 7 THR MG 1 12 THR HA . . 4.740 4.447 3.986 4.768 0.028 2 0 "[ . 1]" 1
151 1 7 THR MG 1 13 ILE H . . 4.660 4.071 3.804 4.435 . 0 0 "[ . 1]" 1
152 1 7 THR MG 1 13 ILE HB . . 4.100 3.776 3.426 4.128 0.028 2 0 "[ . 1]" 1
153 1 7 THR MG 1 69 LEU H . . 4.530 3.823 3.554 4.111 . 0 0 "[ . 1]" 1
154 1 8 LEU H 1 8 LEU HB3 . . 3.330 3.489 3.430 3.568 0.238 6 0 "[ . 1]" 1
155 1 8 LEU H 1 8 LEU MD1 . . 4.300 3.820 3.545 4.103 . 0 0 "[ . 1]" 1
156 1 8 LEU H 1 8 LEU MD2 . . 4.210 2.953 1.908 3.613 . 0 0 "[ . 1]" 1
157 1 8 LEU H 1 8 LEU HG . . 3.660 2.951 2.060 3.829 0.169 7 0 "[ . 1]" 1
158 1 8 LEU H 1 9 THR H . . 3.690 2.622 2.344 2.778 . 0 0 "[ . 1]" 1
159 1 8 LEU H 1 9 THR MG . . 4.630 3.627 3.344 3.791 . 0 0 "[ . 1]" 1
160 1 8 LEU H 1 10 GLY H . . 5.200 3.886 3.727 4.158 . 0 0 "[ . 1]" 1
161 1 8 LEU H 1 69 LEU HB3 . . 4.650 4.662 4.603 4.734 0.084 2 0 "[ . 1]" 1
162 1 8 LEU H 1 70 VAL HA . . 4.880 4.250 4.050 4.531 . 0 0 "[ . 1]" 1
163 1 8 LEU H 1 70 VAL MG1 . . 4.830 4.849 4.802 4.872 0.042 10 0 "[ . 1]" 1
164 1 8 LEU HA 1 8 LEU MD1 . . 3.820 3.242 2.194 3.891 0.071 6 0 "[ . 1]" 1
165 1 8 LEU HA 1 8 LEU MD2 . . 3.150 2.007 1.929 2.401 . 0 0 "[ . 1]" 1
166 1 8 LEU HB3 1 8 LEU MD1 . . 3.380 2.359 2.222 2.494 . 0 0 "[ . 1]" 1
167 1 8 LEU HB3 1 9 THR H . . 4.020 3.717 3.469 4.048 0.028 6 0 "[ . 1]" 1
168 1 8 LEU MD1 1 9 THR H . . 4.840 4.828 4.768 4.863 0.023 4 0 "[ . 1]" 1
169 1 8 LEU MD1 1 70 VAL HA . . 4.230 3.500 2.840 3.976 . 0 0 "[ . 1]" 1
170 1 8 LEU MD1 1 70 VAL HB . . 4.330 4.196 3.716 4.397 0.067 9 0 "[ . 1]" 1
171 1 8 LEU MD1 1 71 LEU H . . 4.370 3.205 2.220 4.188 . 0 0 "[ . 1]" 1
172 1 8 LEU MD2 1 9 THR H . . 4.720 4.536 4.194 4.777 0.057 3 0 "[ . 1]" 1
173 1 8 LEU MD2 1 70 VAL H . . 4.810 4.540 4.094 4.828 0.018 8 0 "[ . 1]" 1
174 1 8 LEU MD2 1 70 VAL HA . . 4.000 2.129 1.778 2.448 . 0 0 "[ . 1]" 1
175 1 8 LEU MD2 1 70 VAL HB . . 4.470 3.113 2.942 3.299 . 0 0 "[ . 1]" 1
176 1 9 THR H 1 9 THR MG . . 3.380 1.902 1.856 1.993 . 0 0 "[ . 1]" 1
177 1 9 THR H 1 10 GLY H . . 3.280 2.500 2.412 2.624 . 0 0 "[ . 1]" 1
178 1 9 THR H 1 11 LYS H . . 4.230 3.803 3.513 4.082 . 0 0 "[ . 1]" 1
179 1 9 THR HA 1 10 GLY H . . 3.620 3.399 3.226 3.629 0.009 2 0 "[ . 1]" 1
180 1 9 THR HB 1 10 GLY H . . 4.870 4.397 3.827 4.569 . 0 0 "[ . 1]" 1
181 1 9 THR MG 1 10 GLY H . . 4.240 2.643 1.770 3.118 . 0 0 "[ . 1]" 1
182 1 9 THR MG 1 11 LYS H . . 4.320 2.151 1.866 2.654 . 0 0 "[ . 1]" 1
183 1 9 THR MG 1 11 LYS HA . . 4.850 3.915 3.718 4.152 . 0 0 "[ . 1]" 1
184 1 10 GLY H 1 11 LYS H . . 3.370 2.599 1.874 2.842 . 0 0 "[ . 1]" 1
185 1 11 LYS H 1 11 LYS HB3 . . 3.470 3.247 3.056 3.418 . 0 0 "[ . 1]" 1
186 1 11 LYS H 1 11 LYS HG3 . . 4.310 3.871 3.359 4.351 0.041 2 0 "[ . 1]" 1
187 1 11 LYS HA 1 11 LYS HG3 . . 3.990 2.502 1.945 3.317 . 0 0 "[ . 1]" 1
188 1 11 LYS HA 1 12 THR H . . 2.830 2.208 2.178 2.293 . 0 0 "[ . 1]" 1
189 1 11 LYS HA 1 12 THR HB . . 4.460 4.373 4.258 4.462 0.002 2 0 "[ . 1]" 1
190 1 11 LYS HB3 1 12 THR H . . 4.050 3.724 3.352 4.088 0.038 2 0 "[ . 1]" 1
191 1 11 LYS HG3 1 12 THR H . . 3.630 3.977 2.763 5.116 1.486 2 5 "[ +-*. * *]" 1
192 1 12 THR H 1 12 THR HB . . 3.340 2.302 2.211 2.398 . 0 0 "[ . 1]" 1
193 1 12 THR H 1 12 THR MG . . 3.750 3.700 3.634 3.747 . 0 0 "[ . 1]" 1
194 1 12 THR H 1 13 ILE H . . 4.520 4.333 4.119 4.465 . 0 0 "[ . 1]" 1
195 1 12 THR H 1 13 ILE MD . . 4.430 3.630 3.063 4.062 . 0 0 "[ . 1]" 1
196 1 12 THR HA 1 12 THR MG . . 3.190 2.499 2.438 2.554 . 0 0 "[ . 1]" 1
197 1 12 THR HA 1 13 ILE H . . 3.000 2.164 2.150 2.196 . 0 0 "[ . 1]" 1
198 1 12 THR HA 1 13 ILE HB . . 5.060 4.384 4.285 4.552 . 0 0 "[ . 1]" 1
199 1 12 THR HA 1 13 ILE MD . . 4.740 3.332 2.950 3.746 . 0 0 "[ . 1]" 1
200 1 12 THR HB 1 13 ILE H . . 4.750 4.569 4.520 4.627 . 0 0 "[ . 1]" 1
201 1 12 THR MG 1 13 ILE H . . 3.340 3.223 2.774 3.378 0.038 7 0 "[ . 1]" 1
202 1 12 THR MG 1 14 THR H . . 4.220 4.193 4.068 4.268 0.048 6 0 "[ . 1]" 1
203 1 13 ILE H 1 13 ILE HB . . 3.670 2.333 2.238 2.492 . 0 0 "[ . 1]" 1
204 1 13 ILE H 1 13 ILE MD . . 3.850 2.510 2.239 2.837 . 0 0 "[ . 1]" 1
205 1 13 ILE H 1 13 ILE HG13 . . 3.880 3.772 3.448 3.913 0.033 8 0 "[ . 1]" 1
206 1 13 ILE H 1 13 ILE MG . . 4.060 3.623 3.532 3.773 . 0 0 "[ . 1]" 1
207 1 13 ILE H 1 14 THR H . . 4.820 4.410 4.346 4.462 . 0 0 "[ . 1]" 1
208 1 13 ILE HA 1 13 ILE MD . . 4.240 3.118 2.994 3.383 . 0 0 "[ . 1]" 1
209 1 13 ILE HA 1 13 ILE HG13 . . 3.950 2.191 2.089 2.336 . 0 0 "[ . 1]" 1
210 1 13 ILE HA 1 13 ILE MG . . 3.230 2.591 2.488 2.678 . 0 0 "[ . 1]" 1
211 1 13 ILE HA 1 14 THR H . . 2.920 2.183 2.177 2.189 . 0 0 "[ . 1]" 1
212 1 13 ILE HA 1 14 THR HB . . 4.850 4.788 4.676 4.862 0.012 6 0 "[ . 1]" 1
213 1 13 ILE MD 1 34 GLU HG3 . . 3.680 3.014 2.382 3.681 0.001 4 0 "[ . 1]" 1
214 1 13 ILE HG13 1 14 THR H . . 4.470 4.107 3.908 4.443 . 0 0 "[ . 1]" 1
215 1 13 ILE MG 1 14 THR H . . 3.560 2.872 2.790 3.013 . 0 0 "[ . 1]" 1
216 1 13 ILE MG 1 34 GLU HG3 . . 4.550 4.282 3.593 4.562 0.012 6 0 "[ . 1]" 1
217 1 14 THR H 1 14 THR HB . . 3.340 2.611 2.503 2.683 . 0 0 "[ . 1]" 1
218 1 14 THR H 1 14 THR MG . . 3.820 3.676 3.650 3.706 . 0 0 "[ . 1]" 1
219 1 14 THR H 1 15 LEU QD . . 4.450 3.922 3.461 4.381 . 0 0 "[ . 1]" 1
220 1 14 THR HA 1 14 THR MG . . 3.210 2.146 2.099 2.222 . 0 0 "[ . 1]" 1
221 1 14 THR HA 1 15 LEU H . . 2.910 2.268 2.227 2.324 . 0 0 "[ . 1]" 1
222 1 14 THR HB 1 15 LEU H . . 4.160 3.852 3.752 3.990 . 0 0 "[ . 1]" 1
223 1 14 THR MG 1 15 LEU H . . 3.190 2.492 2.317 2.621 . 0 0 "[ . 1]" 1
224 1 14 THR MG 1 15 LEU HA . . 4.440 4.166 3.960 4.358 . 0 0 "[ . 1]" 1
225 1 15 LEU H 1 15 LEU QD . . 3.830 3.113 2.799 3.548 . 0 0 "[ . 1]" 1
226 1 15 LEU H 1 16 GLU H . . 4.700 4.391 4.285 4.475 . 0 0 "[ . 1]" 1
227 1 15 LEU HA 1 15 LEU QD . . 3.110 2.044 1.843 2.323 . 0 0 "[ . 1]" 1
228 1 15 LEU HA 1 16 GLU H . . 2.950 2.350 2.205 2.531 . 0 0 "[ . 1]" 1
229 1 15 LEU HA 1 17 VAL H . . 5.010 4.874 4.695 5.036 0.026 6 0 "[ . 1]" 1
230 1 15 LEU HB3 1 15 LEU QD . . 3.030 2.302 2.110 2.464 . 0 0 "[ . 1]" 1
231 1 15 LEU HB3 1 16 GLU H . . 3.750 2.829 2.357 3.317 . 0 0 "[ . 1]" 1
232 1 15 LEU QD 1 16 GLU H . . 3.890 3.232 2.926 3.726 . 0 0 "[ . 1]" 1
233 1 15 LEU QD 1 29 LYS H . . 4.630 4.470 4.363 4.555 . 0 0 "[ . 1]" 1
234 1 15 LEU QD 1 29 LYS HA . . 4.610 4.437 4.208 4.573 . 0 0 "[ . 1]" 1
235 1 15 LEU QD 1 29 LYS HB3 . . 3.380 2.565 2.297 3.053 . 0 0 "[ . 1]" 1
236 1 15 LEU QD 1 30 ILE H . . 4.080 3.840 3.740 3.883 . 0 0 "[ . 1]" 1
237 1 15 LEU QD 1 30 ILE HA . . 3.830 3.372 3.201 3.491 . 0 0 "[ . 1]" 1
238 1 16 GLU H 1 16 GLU HB3 . . 3.640 3.253 2.777 3.556 . 0 0 "[ . 1]" 1
239 1 16 GLU H 1 16 GLU HG3 . . 4.540 4.283 3.808 4.611 0.071 7 0 "[ . 1]" 1
240 1 16 GLU H 1 17 VAL H . . 4.780 3.406 2.915 3.780 . 0 0 "[ . 1]" 1
241 1 16 GLU H 1 17 VAL MG1 . . 3.930 3.410 3.126 3.682 . 0 0 "[ . 1]" 1
242 1 16 GLU HA 1 17 VAL H . . 2.900 2.501 2.374 2.640 . 0 0 "[ . 1]" 1
243 1 16 GLU HA 1 17 VAL MG2 . . 4.110 3.973 3.861 4.099 . 0 0 "[ . 1]" 1
244 1 16 GLU HB3 1 17 VAL H . . 4.410 4.380 4.292 4.502 0.092 7 0 "[ . 1]" 1
245 1 17 VAL H 1 17 VAL MG1 . . 3.770 2.898 2.773 3.053 . 0 0 "[ . 1]" 1
246 1 17 VAL H 1 17 VAL MG2 . . 3.260 1.941 1.868 2.033 . 0 0 "[ . 1]" 1
247 1 17 VAL H 1 56 LEU MD1 . . 4.490 4.458 4.369 4.516 0.026 8 0 "[ . 1]" 1
248 1 17 VAL HA 1 17 VAL MG1 . . 3.020 2.222 2.116 2.316 . 0 0 "[ . 1]" 1
249 1 17 VAL HA 1 18 GLU H . . 3.190 2.573 2.229 2.768 . 0 0 "[ . 1]" 1
250 1 17 VAL HB 1 18 GLU H . . 3.210 2.342 1.933 3.185 . 0 0 "[ . 1]" 1
251 1 17 VAL HB 1 56 LEU MD1 . . 3.290 2.429 2.315 2.518 . 0 0 "[ . 1]" 1
252 1 17 VAL HB 1 56 LEU MD2 . . 4.270 4.310 4.279 4.332 0.062 5 0 "[ . 1]" 1
253 1 17 VAL MG2 1 18 GLU H . . 4.110 3.518 3.165 4.089 . 0 0 "[ . 1]" 1
254 1 17 VAL MG2 1 18 GLU HA . . 4.910 4.187 3.892 4.603 . 0 0 "[ . 1]" 1
255 1 17 VAL MG2 1 56 LEU MD1 . . 2.920 1.922 1.796 2.101 . 0 0 "[ . 1]" 1
256 1 18 GLU H 1 18 GLU HB3 . . 3.640 3.306 2.612 3.573 . 0 0 "[ . 1]" 1
257 1 18 GLU H 1 56 LEU MD1 . . 4.030 3.267 2.837 3.978 . 0 0 "[ . 1]" 1
258 1 18 GLU HA 1 19 PRO HD3 . . 3.350 2.145 2.065 2.248 . 0 0 "[ . 1]" 1
259 1 18 GLU HB3 1 19 PRO HD3 . . 4.460 3.284 2.831 3.866 . 0 0 "[ . 1]" 1
260 1 18 GLU HB3 1 20 SER H . . 4.070 2.735 2.056 4.026 . 0 0 "[ . 1]" 1
261 1 18 GLU HG3 1 20 SER H . . 4.920 3.852 1.992 4.867 . 0 0 "[ . 1]" 1
262 1 19 PRO HA 1 56 LEU H . . 4.940 4.226 3.990 4.328 . 0 0 "[ . 1]" 1
263 1 19 PRO HA 1 56 LEU HB3 . . 4.130 3.518 3.351 3.650 . 0 0 "[ . 1]" 1
264 1 19 PRO HA 1 56 LEU MD1 . . 3.930 2.783 2.487 3.060 . 0 0 "[ . 1]" 1
265 1 19 PRO HA 1 56 LEU MD2 . . 4.570 4.613 4.578 4.675 0.105 10 0 "[ . 1]" 1
266 1 19 PRO HA 1 56 LEU HG . . 5.220 3.443 3.308 3.641 . 0 0 "[ . 1]" 1
267 1 19 PRO HA 1 57 SER H . . 4.030 3.142 2.745 3.510 . 0 0 "[ . 1]" 1
268 1 20 SER H 1 20 SER HB3 . . 4.080 3.611 3.509 3.717 . 0 0 "[ . 1]" 1
269 1 20 SER H 1 21 ASP H . . 3.420 2.166 2.023 2.356 . 0 0 "[ . 1]" 1
270 1 20 SER HA 1 55 THR HB . . 4.330 4.039 3.849 4.206 . 0 0 "[ . 1]" 1
271 1 20 SER HA 1 55 THR MG . . 3.560 3.599 3.513 3.655 0.095 4 0 "[ . 1]" 1
272 1 20 SER HA 1 57 SER H . . 4.340 4.055 3.700 4.353 0.013 5 0 "[ . 1]" 1
273 1 20 SER HA 1 57 SER HB3 . . 4.630 3.917 3.340 4.305 . 0 0 "[ . 1]" 1
274 1 20 SER HB3 1 55 THR MG . . 4.980 4.756 4.538 4.921 . 0 0 "[ . 1]" 1
275 1 21 ASP H 1 21 ASP HB3 . . 3.470 3.348 3.209 3.482 0.012 6 0 "[ . 1]" 1
276 1 21 ASP H 1 55 THR MG . . 4.970 4.675 4.471 4.926 . 0 0 "[ . 1]" 1
277 1 21 ASP H 1 56 LEU MD1 . . 3.930 3.540 3.250 3.801 . 0 0 "[ . 1]" 1
278 1 21 ASP H 1 56 LEU MD2 . . 4.900 4.837 4.546 4.923 0.023 7 0 "[ . 1]" 1
279 1 21 ASP H 1 56 LEU HG . . 4.530 3.521 3.150 3.672 . 0 0 "[ . 1]" 1
280 1 21 ASP HB3 1 26 VAL MG2 . . 3.970 3.332 3.165 3.619 . 0 0 "[ . 1]" 1
281 1 22 THR H 1 56 LEU MD1 . . 4.830 4.480 4.263 4.621 . 0 0 "[ . 1]" 1
282 1 22 THR HA 1 22 THR MG . . 3.280 2.276 2.257 2.289 . 0 0 "[ . 1]" 1
283 1 22 THR HA 1 23 ILE H . . 3.340 2.505 2.475 2.539 . 0 0 "[ . 1]" 1
284 1 22 THR HA 1 23 ILE MD . . 4.860 4.317 4.093 4.683 . 0 0 "[ . 1]" 1
285 1 22 THR HA 1 55 THR MG . . 3.610 2.431 2.258 2.636 . 0 0 "[ . 1]" 1
286 1 22 THR HA 1 56 LEU H . . 4.070 3.580 3.489 3.680 . 0 0 "[ . 1]" 1
287 1 22 THR HB 1 25 ASN H . . 2.860 2.895 2.828 2.929 0.069 2 0 "[ . 1]" 1
288 1 22 THR HB 1 25 ASN HB3 . . 4.470 4.473 4.397 4.570 0.100 3 0 "[ . 1]" 1
289 1 22 THR HB 1 25 ASN HD21 . . 4.020 2.354 2.085 3.491 . 0 0 "[ . 1]" 1
290 1 22 THR HB 1 25 ASN HD22 . . 4.670 3.436 2.494 3.708 . 0 0 "[ . 1]" 1
291 1 22 THR MG 1 23 ILE H . . 3.680 1.870 1.824 1.957 . 0 0 "[ . 1]" 1
292 1 22 THR MG 1 25 ASN H . . 3.250 3.303 3.277 3.330 0.080 3 0 "[ . 1]" 1
293 1 22 THR MG 1 25 ASN HD22 . . 4.940 4.674 3.688 4.930 . 0 0 "[ . 1]" 1
294 1 22 THR MG 1 53 GLY HA2 . . 4.790 3.663 3.360 4.174 . 0 0 "[ . 1]" 1
295 1 22 THR MG 1 53 GLY HA3 . . 5.140 4.771 4.526 5.180 0.040 10 0 "[ . 1]" 1
296 1 22 THR MG 1 54 ARG H . . 4.640 3.667 3.537 3.752 . 0 0 "[ . 1]" 1
297 1 22 THR MG 1 55 THR HA . . 3.920 3.263 3.178 3.343 . 0 0 "[ . 1]" 1
298 1 22 THR MG 1 56 LEU H . . 4.960 5.044 4.994 5.076 0.116 1 0 "[ . 1]" 1
299 1 23 ILE H 1 23 ILE HB . . 3.560 2.228 2.115 2.321 . 0 0 "[ . 1]" 1
300 1 23 ILE H 1 23 ILE MD . . 3.800 3.427 3.284 3.677 . 0 0 "[ . 1]" 1
301 1 23 ILE H 1 23 ILE MG . . 3.590 3.640 3.547 3.691 0.101 5 0 "[ . 1]" 1
302 1 23 ILE H 1 25 ASN H . . 4.230 3.784 3.722 3.845 . 0 0 "[ . 1]" 1
303 1 23 ILE H 1 52 ASP HA . . 4.280 3.180 2.462 3.413 . 0 0 "[ . 1]" 1
304 1 23 ILE H 1 54 ARG H . . 4.610 4.630 4.506 4.717 0.107 8 0 "[ . 1]" 1
305 1 23 ILE H 1 55 THR HA . . 3.990 3.642 3.522 3.785 . 0 0 "[ . 1]" 1
306 1 23 ILE H 1 55 THR MG . . 4.420 4.205 4.063 4.409 . 0 0 "[ . 1]" 1
307 1 23 ILE H 1 56 LEU MD2 . . 4.600 3.497 3.379 3.716 . 0 0 "[ . 1]" 1
308 1 23 ILE HA 1 23 ILE MD . . 3.140 1.901 1.872 1.959 . 0 0 "[ . 1]" 1
309 1 23 ILE HA 1 23 ILE MG . . 3.360 2.560 2.440 2.687 . 0 0 "[ . 1]" 1
310 1 23 ILE HA 1 26 VAL H . . 3.930 3.033 2.993 3.142 . 0 0 "[ . 1]" 1
311 1 23 ILE HA 1 26 VAL HB . . 3.610 2.712 2.565 2.991 . 0 0 "[ . 1]" 1
312 1 23 ILE HA 1 26 VAL MG2 . . 3.610 2.639 2.451 2.738 . 0 0 "[ . 1]" 1
313 1 23 ILE HA 1 50 LEU MD2 . . 4.520 4.360 4.036 4.540 0.020 4 0 "[ . 1]" 1
314 1 23 ILE HB 1 51 GLU HA . . 4.770 4.441 3.978 4.729 . 0 0 "[ . 1]" 1
315 1 23 ILE HB 1 52 ASP HA . . 3.270 2.472 2.336 2.632 . 0 0 "[ . 1]" 1
316 1 23 ILE HB 1 54 ARG H . . 4.710 4.375 4.213 4.437 . 0 0 "[ . 1]" 1
317 1 23 ILE MD 1 26 VAL H . . 4.850 4.232 4.150 4.345 . 0 0 "[ . 1]" 1
318 1 23 ILE MD 1 26 VAL HB . . 4.330 3.106 2.921 3.382 . 0 0 "[ . 1]" 1
319 1 23 ILE MD 1 50 LEU MD1 . . 4.130 3.435 3.245 3.575 . 0 0 "[ . 1]" 1
320 1 23 ILE MD 1 55 THR HA . . 4.890 4.322 4.037 4.630 . 0 0 "[ . 1]" 1
321 1 23 ILE MD 1 56 LEU H . . 4.510 4.302 4.069 4.476 . 0 0 "[ . 1]" 1
322 1 23 ILE MD 1 56 LEU HA . . 3.920 3.757 3.542 3.933 0.013 6 0 "[ . 1]" 1
323 1 23 ILE MD 1 56 LEU HG . . 4.240 4.286 4.259 4.308 0.068 8 0 "[ . 1]" 1
324 1 23 ILE MD 1 59 TYR QD . . 3.590 2.804 2.668 2.936 . 0 0 "[ . 1]" 1
325 1 23 ILE MD 1 59 TYR QE . . 3.760 3.226 2.994 3.494 . 0 0 "[ . 1]" 1
326 1 23 ILE HG13 1 50 LEU HG . . 4.290 2.002 1.989 2.033 . 0 0 "[ . 1]" 1
327 1 23 ILE HG13 1 51 GLU H . . 4.950 2.681 2.226 3.358 . 0 0 "[ . 1]" 1
328 1 23 ILE HG13 1 56 LEU MD2 . . 4.340 4.055 3.896 4.215 . 0 0 "[ . 1]" 1
329 1 23 ILE HG13 1 59 TYR QD . . 4.660 3.314 2.945 3.540 . 0 0 "[ . 1]" 1
330 1 23 ILE HG13 1 59 TYR QE . . 3.840 1.990 1.977 1.998 . 0 0 "[ . 1]" 1
331 1 23 ILE MG 1 24 GLU HA . . 4.330 3.184 2.898 3.481 . 0 0 "[ . 1]" 1
332 1 23 ILE MG 1 50 LEU MD1 . . 4.560 4.238 4.037 4.345 . 0 0 "[ . 1]" 1
333 1 23 ILE MG 1 50 LEU MD2 . . 3.290 2.617 2.095 3.047 . 0 0 "[ . 1]" 1
334 1 23 ILE MG 1 51 GLU H . . 4.860 3.369 2.735 3.874 . 0 0 "[ . 1]" 1
335 1 23 ILE MG 1 51 GLU HA . . 4.530 3.803 3.124 4.172 . 0 0 "[ . 1]" 1
336 1 23 ILE MG 1 52 ASP H . . 4.350 4.283 3.900 4.403 0.053 4 0 "[ . 1]" 1
337 1 23 ILE MG 1 52 ASP HA . . 3.460 3.416 3.260 3.487 0.027 8 0 "[ . 1]" 1
338 1 23 ILE MG 1 59 TYR QE . . 4.680 3.837 3.598 3.929 . 0 0 "[ . 1]" 1
339 1 24 GLU HA 1 24 GLU HG3 . . 3.950 3.494 2.594 3.672 . 0 0 "[ . 1]" 1
340 1 24 GLU HA 1 27 LYS HB3 . . 4.540 4.451 4.373 4.553 0.013 1 0 "[ . 1]" 1
341 1 24 GLU HA 1 27 LYS HD3 . . 4.700 2.413 2.199 2.602 . 0 0 "[ . 1]" 1
342 1 24 GLU HA 1 28 ALA H . . 4.520 3.843 3.728 3.952 . 0 0 "[ . 1]" 1
343 1 24 GLU HG3 1 25 ASN H . . 4.340 2.549 2.151 4.427 0.087 8 0 "[ . 1]" 1
344 1 25 ASN H 1 25 ASN HB3 . . 3.490 3.368 3.334 3.574 0.084 3 0 "[ . 1]" 1
345 1 25 ASN H 1 25 ASN HD21 . . 3.570 2.697 2.638 2.736 . 0 0 "[ . 1]" 1
346 1 25 ASN H 1 25 ASN HD22 . . 4.370 4.242 3.261 4.376 0.006 2 0 "[ . 1]" 1
347 1 25 ASN H 1 26 VAL H . . 3.300 2.349 2.319 2.399 . 0 0 "[ . 1]" 1
348 1 25 ASN H 1 26 VAL HB . . 4.340 4.442 4.413 4.499 0.159 8 0 "[ . 1]" 1
349 1 25 ASN H 1 26 VAL MG2 . . 4.240 3.777 3.646 3.982 . 0 0 "[ . 1]" 1
350 1 25 ASN H 1 27 LYS H . . 4.210 4.129 4.011 4.233 0.023 2 0 "[ . 1]" 1
351 1 25 ASN H 1 28 ALA MB . . 4.540 4.524 4.417 4.588 0.048 4 0 "[ . 1]" 1
352 1 25 ASN HA 1 25 ASN HD21 . . 3.610 2.871 1.937 3.143 . 0 0 "[ . 1]" 1
353 1 25 ASN HA 1 25 ASN HD22 . . 4.610 3.664 3.607 3.764 . 0 0 "[ . 1]" 1
354 1 25 ASN HA 1 26 VAL H . . 3.610 3.574 3.526 3.615 0.005 5 0 "[ . 1]" 1
355 1 25 ASN HA 1 28 ALA MB . . 3.170 2.602 2.420 2.675 . 0 0 "[ . 1]" 1
356 1 25 ASN HA 1 29 LYS H . . 4.700 4.783 4.719 4.824 0.124 2 0 "[ . 1]" 1
357 1 25 ASN HB3 1 26 VAL MG2 . . 4.650 3.603 3.364 4.359 . 0 0 "[ . 1]" 1
358 1 26 VAL H 1 26 VAL HB . . 3.290 2.331 2.299 2.371 . 0 0 "[ . 1]" 1
359 1 26 VAL H 1 26 VAL MG1 . . 3.730 3.694 3.684 3.716 . 0 0 "[ . 1]" 1
360 1 26 VAL H 1 26 VAL MG2 . . 3.130 2.253 2.042 2.422 . 0 0 "[ . 1]" 1
361 1 26 VAL H 1 27 LYS H . . 3.150 2.604 2.453 2.765 . 0 0 "[ . 1]" 1
362 1 26 VAL H 1 43 LEU QD . . 4.120 4.097 4.057 4.129 0.009 4 0 "[ . 1]" 1
363 1 26 VAL H 1 56 LEU MD2 . . 4.650 4.471 4.307 4.638 . 0 0 "[ . 1]" 1
364 1 26 VAL HA 1 26 VAL MG1 . . 3.170 2.444 2.355 2.532 . 0 0 "[ . 1]" 1
365 1 26 VAL HA 1 26 VAL MG2 . . 3.200 2.315 2.210 2.397 . 0 0 "[ . 1]" 1
366 1 26 VAL HA 1 29 LYS H . . 4.020 3.428 3.392 3.493 . 0 0 "[ . 1]" 1
367 1 26 VAL HA 1 29 LYS HB3 . . 4.460 4.537 4.493 4.572 0.112 6 0 "[ . 1]" 1
368 1 26 VAL HA 1 43 LEU QD . . 4.360 4.110 3.895 4.244 . 0 0 "[ . 1]" 1
369 1 26 VAL HB 1 27 LYS H . . 3.450 2.467 2.359 2.594 . 0 0 "[ . 1]" 1
370 1 26 VAL HB 1 56 LEU MD2 . . 4.400 4.001 3.701 4.294 . 0 0 "[ . 1]" 1
371 1 26 VAL MG1 1 27 LYS H . . 3.500 3.239 3.126 3.404 . 0 0 "[ . 1]" 1
372 1 26 VAL MG2 1 27 LYS H . . 3.900 3.859 3.800 3.914 0.014 5 0 "[ . 1]" 1
373 1 26 VAL MG2 1 56 LEU MD2 . . 3.130 2.233 2.077 2.457 . 0 0 "[ . 1]" 1
374 1 27 LYS H 1 27 LYS HB3 . . 3.640 3.531 3.516 3.537 . 0 0 "[ . 1]" 1
375 1 27 LYS HA 1 30 ILE H . . 4.190 2.844 2.789 2.881 . 0 0 "[ . 1]" 1
376 1 27 LYS HA 1 30 ILE HB . . 3.740 2.657 2.465 2.839 . 0 0 "[ . 1]" 1
377 1 27 LYS HA 1 30 ILE MD . . 3.590 3.709 3.676 3.733 0.143 8 0 "[ . 1]" 1
378 1 27 LYS HA 1 31 GLN QE . . 4.450 3.567 3.159 3.891 . 0 0 "[ . 1]" 1
379 1 27 LYS HA 1 43 LEU QD . . 4.130 2.609 1.973 3.013 . 0 0 "[ . 1]" 1
380 1 27 LYS HB3 1 30 ILE H . . 4.720 4.616 4.571 4.664 . 0 0 "[ . 1]" 1
381 1 27 LYS HB3 1 30 ILE HB . . 4.620 3.898 3.808 4.020 . 0 0 "[ . 1]" 1
382 1 27 LYS HB3 1 31 GLN QE . . 4.100 2.681 2.420 3.136 . 0 0 "[ . 1]" 1
383 1 27 LYS HD3 1 28 ALA H . . 4.500 4.526 4.442 4.580 0.080 7 0 "[ . 1]" 1
384 1 28 ALA H 1 28 ALA MB . . 2.890 2.075 1.940 2.157 . 0 0 "[ . 1]" 1
385 1 28 ALA H 1 29 LYS H . . 3.390 2.780 2.752 2.813 . 0 0 "[ . 1]" 1
386 1 28 ALA H 1 30 ILE H . . 4.280 4.062 4.008 4.114 . 0 0 "[ . 1]" 1
387 1 28 ALA HA 1 31 GLN H . . 3.750 3.353 3.253 3.445 . 0 0 "[ . 1]" 1
388 1 28 ALA HA 1 31 GLN HB3 . . 4.310 4.295 4.050 4.367 0.057 3 0 "[ . 1]" 1
389 1 28 ALA MB 1 29 LYS H . . 3.360 2.835 2.745 2.938 . 0 0 "[ . 1]" 1
390 1 28 ALA MB 1 30 ILE H . . 4.420 4.496 4.456 4.520 0.100 3 0 "[ . 1]" 1
391 1 29 LYS H 1 29 LYS HB3 . . 3.650 3.520 3.489 3.581 . 0 0 "[ . 1]" 1
392 1 29 LYS H 1 30 ILE H . . 3.510 2.392 2.360 2.468 . 0 0 "[ . 1]" 1
393 1 29 LYS H 1 30 ILE HB . . 4.630 4.777 4.731 4.833 0.203 8 0 "[ . 1]" 1
394 1 29 LYS HA 1 32 ASP H . . 3.920 3.531 3.387 3.693 . 0 0 "[ . 1]" 1
395 1 29 LYS HA 1 32 ASP HB3 . . 4.310 4.276 4.016 4.334 0.024 8 0 "[ . 1]" 1
396 1 29 LYS HB3 1 30 ILE H . . 4.070 3.849 3.738 4.160 0.090 5 0 "[ . 1]" 1
397 1 29 LYS HB3 1 30 ILE MD . . 4.190 3.467 3.137 3.953 . 0 0 "[ . 1]" 1
398 1 30 ILE H 1 30 ILE HB . . 3.390 2.578 2.550 2.615 . 0 0 "[ . 1]" 1
399 1 30 ILE H 1 30 ILE MD . . 3.920 2.774 2.636 2.909 . 0 0 "[ . 1]" 1
400 1 30 ILE H 1 30 ILE HG13 . . 3.280 3.445 3.425 3.463 0.183 1 0 "[ . 1]" 1
401 1 30 ILE H 1 30 ILE MG . . 3.520 3.722 3.715 3.731 0.211 7 0 "[ . 1]" 1
402 1 30 ILE H 1 31 GLN H . . 3.560 2.474 2.404 2.539 . 0 0 "[ . 1]" 1
403 1 30 ILE H 1 31 GLN QE . . 5.140 4.018 3.657 4.323 . 0 0 "[ . 1]" 1
404 1 30 ILE HA 1 30 ILE MD . . 4.140 1.990 1.936 2.161 . 0 0 "[ . 1]" 1
405 1 30 ILE HA 1 30 ILE MG . . 3.040 2.264 2.213 2.380 . 0 0 "[ . 1]" 1
406 1 30 ILE HA 1 33 LYS H . . 4.230 3.596 3.481 3.708 . 0 0 "[ . 1]" 1
407 1 30 ILE HA 1 34 GLU H . . 4.520 3.227 2.969 3.543 . 0 0 "[ . 1]" 1
408 1 30 ILE HB 1 30 ILE MD . . 3.490 3.210 3.203 3.215 . 0 0 "[ . 1]" 1
409 1 30 ILE HB 1 31 GLN QE . . 3.960 2.757 2.453 2.984 . 0 0 "[ . 1]" 1
410 1 30 ILE MD 1 31 GLN H . . 4.500 4.419 4.304 4.504 0.004 9 0 "[ . 1]" 1
411 1 30 ILE MG 1 31 GLN HA . . 4.250 4.061 3.995 4.114 . 0 0 "[ . 1]" 1
412 1 30 ILE MG 1 31 GLN QE . . 4.180 3.550 3.267 3.790 . 0 0 "[ . 1]" 1
413 1 30 ILE MG 1 36 ILE H . . 4.740 4.572 4.395 4.775 0.035 4 0 "[ . 1]" 1
414 1 30 ILE MG 1 41 GLN HE21 . . 4.800 3.617 3.421 3.731 . 0 0 "[ . 1]" 1
415 1 31 GLN H 1 31 GLN HB3 . . 3.350 3.477 3.415 3.560 0.210 4 0 "[ . 1]" 1
416 1 31 GLN H 1 31 GLN QE . . 4.150 3.061 2.726 3.312 . 0 0 "[ . 1]" 1
417 1 31 GLN HA 1 34 GLU H . . 4.600 4.372 4.204 4.535 . 0 0 "[ . 1]" 1
418 1 31 GLN HA 1 35 GLY H . . 3.720 3.490 3.253 3.776 0.056 1 0 "[ . 1]" 1
419 1 31 GLN HA 1 36 ILE H . . 3.440 2.802 2.406 3.021 . 0 0 "[ . 1]" 1
420 1 31 GLN HA 1 36 ILE HB . . 4.680 4.053 3.773 4.268 . 0 0 "[ . 1]" 1
421 1 31 GLN HA 1 41 GLN HG3 . . 4.120 4.094 3.971 4.195 0.075 4 0 "[ . 1]" 1
422 1 31 GLN HB3 1 32 ASP H . . 3.960 3.313 3.120 3.774 . 0 0 "[ . 1]" 1
423 1 31 GLN HB3 1 36 ILE H . . 4.830 4.654 3.913 4.867 0.037 2 0 "[ . 1]" 1
424 1 31 GLN QE 1 36 ILE MG . . 4.360 3.665 3.602 3.752 . 0 0 "[ . 1]" 1
425 1 31 GLN QE 1 38 PRO HA . . 4.240 2.795 2.263 3.274 . 0 0 "[ . 1]" 1
426 1 31 GLN QE 1 41 GLN HB3 . . 4.610 2.709 2.527 2.927 . 0 0 "[ . 1]" 1
427 1 31 GLN QE 1 41 GLN HG3 . . 4.600 2.085 1.866 2.625 . 0 0 "[ . 1]" 1
428 1 32 ASP H 1 32 ASP HB3 . . 3.630 2.952 2.872 3.021 . 0 0 "[ . 1]" 1
429 1 32 ASP H 1 33 LYS H . . 3.630 2.457 2.359 2.631 . 0 0 "[ . 1]" 1
430 1 32 ASP H 1 34 GLU H . . 4.880 4.261 3.869 4.925 0.045 4 0 "[ . 1]" 1
431 1 32 ASP HA 1 35 GLY H . . 4.450 3.647 2.955 4.402 . 0 0 "[ . 1]" 1
432 1 32 ASP HB3 1 33 LYS H . . 3.870 2.464 2.363 2.741 . 0 0 "[ . 1]" 1
433 1 32 ASP HB3 1 33 LYS HA . . 3.960 3.634 3.607 3.704 . 0 0 "[ . 1]" 1
434 1 33 LYS H 1 33 LYS HB3 . . 3.750 3.547 3.500 3.557 . 0 0 "[ . 1]" 1
435 1 33 LYS H 1 34 GLU H . . 3.420 3.132 2.972 3.325 . 0 0 "[ . 1]" 1
436 1 33 LYS H 1 35 GLY H . . 4.500 4.372 3.865 4.572 0.072 7 0 "[ . 1]" 1
437 1 33 LYS HB3 1 34 GLU H . . 4.020 3.269 2.762 3.671 . 0 0 "[ . 1]" 1
438 1 34 GLU H 1 34 GLU HB3 . . 3.640 3.225 3.168 3.321 . 0 0 "[ . 1]" 1
439 1 34 GLU H 1 34 GLU HG3 . . 4.140 4.121 3.963 4.181 0.041 9 0 "[ . 1]" 1
440 1 34 GLU H 1 35 GLY H . . 3.250 2.364 2.076 2.550 . 0 0 "[ . 1]" 1
441 1 34 GLU H 1 35 GLY HA2 . . 4.690 4.481 4.253 4.642 . 0 0 "[ . 1]" 1
442 1 34 GLU H 1 36 ILE H . . 4.670 3.944 3.519 4.251 . 0 0 "[ . 1]" 1
443 1 34 GLU HB3 1 36 ILE H . . 4.630 3.123 2.763 3.835 . 0 0 "[ . 1]" 1
444 1 34 GLU HG3 1 36 ILE MD . . 4.190 3.597 3.314 3.925 . 0 0 "[ . 1]" 1
445 1 35 GLY H 1 36 ILE H . . 3.760 2.020 1.885 2.294 . 0 0 "[ . 1]" 1
446 1 35 GLY H 1 36 ILE HA . . 4.990 4.691 4.587 4.944 . 0 0 "[ . 1]" 1
447 1 36 ILE H 1 36 ILE HB . . 3.320 2.403 2.218 2.601 . 0 0 "[ . 1]" 1
448 1 36 ILE H 1 36 ILE MD . . 4.320 3.131 2.940 3.460 . 0 0 "[ . 1]" 1
449 1 36 ILE H 1 36 ILE HG13 . . 3.980 3.566 3.254 3.884 . 0 0 "[ . 1]" 1
450 1 36 ILE H 1 36 ILE MG . . 4.210 3.618 3.473 3.745 . 0 0 "[ . 1]" 1
451 1 36 ILE HA 1 36 ILE MD . . 4.180 3.522 3.301 3.750 . 0 0 "[ . 1]" 1
452 1 36 ILE HA 1 36 ILE HG13 . . 3.990 2.189 2.033 2.378 . 0 0 "[ . 1]" 1
453 1 36 ILE HA 1 36 ILE MG . . 3.320 2.671 2.589 2.776 . 0 0 "[ . 1]" 1
454 1 36 ILE HA 1 37 PRO HB3 . . 4.790 4.953 4.951 4.955 0.165 9 0 "[ . 1]" 1
455 1 36 ILE HA 1 37 PRO HD3 . . 3.520 1.948 1.938 1.965 . 0 0 "[ . 1]" 1
456 1 36 ILE HA 1 37 PRO HG3 . . 4.530 4.218 4.209 4.233 . 0 0 "[ . 1]" 1
457 1 36 ILE MG 1 37 PRO HD3 . . 3.800 2.944 2.869 3.036 . 0 0 "[ . 1]" 1
458 1 36 ILE MG 1 37 PRO HG3 . . 4.450 4.135 4.084 4.204 . 0 0 "[ . 1]" 1
459 1 36 ILE MG 1 40 GLN H . . 4.500 3.564 3.354 3.746 . 0 0 "[ . 1]" 1
460 1 37 PRO HA 1 39 ASP H . . 4.080 3.700 3.638 3.760 . 0 0 "[ . 1]" 1
461 1 37 PRO HG3 1 40 GLN HE21 . . 4.520 3.815 3.694 3.947 . 0 0 "[ . 1]" 1
462 1 37 PRO HG3 1 40 GLN HE22 . . 4.860 3.097 2.968 3.219 . 0 0 "[ . 1]" 1
463 1 38 PRO HA 1 40 GLN H . . 5.140 3.451 3.290 3.623 . 0 0 "[ . 1]" 1
464 1 38 PRO HA 1 41 GLN H . . 4.370 2.887 2.597 3.422 . 0 0 "[ . 1]" 1
465 1 38 PRO HA 1 41 GLN HB3 . . 4.390 3.545 3.431 3.699 . 0 0 "[ . 1]" 1
466 1 38 PRO HB3 1 39 ASP H . . 3.980 4.619 4.613 4.623 0.643 8 10 [***-***+**] 1
467 1 39 ASP H 1 39 ASP HB3 . . 3.770 3.226 2.733 3.502 . 0 0 "[ . 1]" 1
468 1 39 ASP H 1 40 GLN H . . 3.530 2.470 2.396 2.533 . 0 0 "[ . 1]" 1
469 1 39 ASP H 1 41 GLN H . . 4.730 3.867 3.561 4.443 . 0 0 "[ . 1]" 1
470 1 39 ASP HA 1 41 GLN H . . 4.480 4.498 4.130 4.727 0.247 4 0 "[ . 1]" 1
471 1 39 ASP HB3 1 40 GLN H . . 4.940 3.418 2.840 3.794 . 0 0 "[ . 1]" 1
472 1 40 GLN H 1 40 GLN HB3 . . 3.540 3.770 3.674 3.839 0.299 5 0 "[ . 1]" 1
473 1 40 GLN H 1 41 GLN H . . 3.270 2.145 1.790 2.868 . 0 0 "[ . 1]" 1
474 1 40 GLN HA 1 71 LEU MD1 . . 4.460 3.574 2.401 4.200 . 0 0 "[ . 1]" 1
475 1 40 GLN HA 1 72 ARG HB3 . . 4.140 3.896 3.644 4.151 0.011 1 0 "[ . 1]" 1
476 1 40 GLN HB3 1 41 GLN H . . 4.750 4.246 3.858 4.606 . 0 0 "[ . 1]" 1
477 1 40 GLN HB3 1 71 LEU MD1 . . 4.120 2.035 1.744 3.020 . 0 0 "[ . 1]" 1
478 1 40 GLN HE21 1 41 GLN HG3 . . 4.800 4.886 4.809 4.961 0.161 3 0 "[ . 1]" 1
479 1 40 GLN HE21 1 71 LEU MD1 . . 5.120 4.366 3.216 4.986 . 0 0 "[ . 1]" 1
480 1 41 GLN H 1 41 GLN HB3 . . 3.620 3.602 3.544 3.703 0.083 5 0 "[ . 1]" 1
481 1 41 GLN H 1 41 GLN HG3 . . 4.000 3.115 2.663 3.873 . 0 0 "[ . 1]" 1
482 1 41 GLN H 1 71 LEU MD1 . . 4.540 4.546 4.459 4.733 0.193 4 0 "[ . 1]" 1
483 1 41 GLN HA 1 41 GLN HG3 . . 3.720 3.572 3.493 3.723 0.003 6 0 "[ . 1]" 1
484 1 41 GLN HA 1 42 ARG H . . 3.080 2.328 2.285 2.357 . 0 0 "[ . 1]" 1
485 1 41 GLN HA 1 69 LEU MD1 . . 3.310 2.296 2.027 2.995 . 0 0 "[ . 1]" 1
486 1 42 ARG H 1 42 ARG HB3 . . 3.710 3.062 2.939 3.260 . 0 0 "[ . 1]" 1
487 1 42 ARG H 1 69 LEU HA . . 5.040 3.520 3.287 4.005 . 0 0 "[ . 1]" 1
488 1 42 ARG H 1 69 LEU MD1 . . 3.480 1.953 1.809 2.627 . 0 0 "[ . 1]" 1
489 1 42 ARG H 1 70 VAL H . . 4.080 3.156 2.887 3.488 . 0 0 "[ . 1]" 1
490 1 42 ARG HA 1 42 ARG HD3 . . 4.910 4.161 3.664 4.792 . 0 0 "[ . 1]" 1
491 1 42 ARG HA 1 42 ARG HG3 . . 4.110 2.559 2.217 3.091 . 0 0 "[ . 1]" 1
492 1 42 ARG HA 1 43 LEU H . . 3.110 2.249 2.228 2.279 . 0 0 "[ . 1]" 1
493 1 42 ARG HB3 1 42 ARG HE . . 4.550 3.321 2.472 4.369 . 0 0 "[ . 1]" 1
494 1 42 ARG HB3 1 43 LEU H . . 4.650 4.414 4.200 4.532 . 0 0 "[ . 1]" 1
495 1 42 ARG HB3 1 70 VAL MG2 . . 3.650 1.955 1.814 2.263 . 0 0 "[ . 1]" 1
496 1 42 ARG HD3 1 49 GLN HE21 . . 4.500 3.473 1.973 4.838 0.338 5 0 "[ . 1]" 1
497 1 42 ARG HD3 1 70 VAL MG2 . . 4.270 3.848 2.976 4.237 . 0 0 "[ . 1]" 1
498 1 42 ARG HE 1 42 ARG HG3 . . 4.130 3.216 2.109 4.043 . 0 0 "[ . 1]" 1
499 1 42 ARG HE 1 70 VAL MG2 . . 4.880 3.088 1.833 4.844 . 0 0 "[ . 1]" 1
500 1 42 ARG HG3 1 43 LEU H . . 4.660 3.638 3.150 4.958 0.298 10 0 "[ . 1]" 1
501 1 43 LEU H 1 43 LEU HB3 . . 4.150 3.044 2.852 3.414 . 0 0 "[ . 1]" 1
502 1 43 LEU H 1 43 LEU QD . . 4.180 3.402 3.298 3.531 . 0 0 "[ . 1]" 1
503 1 43 LEU H 1 44 ILE H . . 4.590 4.566 4.534 4.592 0.002 3 0 "[ . 1]" 1
504 1 43 LEU H 1 50 LEU MD2 . . 5.020 4.622 4.484 4.894 . 0 0 "[ . 1]" 1
505 1 43 LEU HA 1 43 LEU QD . . 3.210 1.925 1.883 1.965 . 0 0 "[ . 1]" 1
506 1 43 LEU HA 1 44 ILE H . . 3.030 2.206 2.186 2.226 . 0 0 "[ . 1]" 1
507 1 43 LEU HA 1 50 LEU MD2 . . 4.760 4.158 3.972 4.434 . 0 0 "[ . 1]" 1
508 1 43 LEU HA 1 69 LEU HA . . 4.450 2.945 2.797 3.168 . 0 0 "[ . 1]" 1
509 1 43 LEU HA 1 69 LEU MD1 . . 4.050 3.733 3.492 4.044 . 0 0 "[ . 1]" 1
510 1 43 LEU HA 1 70 VAL H . . 4.190 4.172 4.044 4.238 0.048 8 0 "[ . 1]" 1
511 1 43 LEU HB3 1 44 ILE H . . 4.230 3.728 3.303 3.981 . 0 0 "[ . 1]" 1
512 1 43 LEU HB3 1 50 LEU MD2 . . 3.610 2.367 2.151 2.756 . 0 0 "[ . 1]" 1
513 1 43 LEU QD 1 44 ILE H . . 3.940 2.861 2.558 3.025 . 0 0 "[ . 1]" 1
514 1 43 LEU QD 1 68 HIS H . . 3.950 3.026 2.794 3.221 . 0 0 "[ . 1]" 1
515 1 43 LEU QD 1 69 LEU HA . . 3.430 2.962 2.676 3.111 . 0 0 "[ . 1]" 1
516 1 43 LEU HG 1 44 ILE H . . 4.830 3.710 3.093 4.852 0.022 4 0 "[ . 1]" 1
517 1 44 ILE H 1 44 ILE HB . . 3.490 2.589 2.488 2.675 . 0 0 "[ . 1]" 1
518 1 44 ILE H 1 44 ILE HG13 . . 4.200 3.890 3.660 4.264 0.064 8 0 "[ . 1]" 1
519 1 44 ILE H 1 44 ILE MG . . 3.710 3.551 3.517 3.594 . 0 0 "[ . 1]" 1
520 1 44 ILE H 1 45 PHE H . . 4.670 4.252 4.140 4.432 . 0 0 "[ . 1]" 1
521 1 44 ILE H 1 50 LEU MD2 . . 5.090 3.559 3.311 3.739 . 0 0 "[ . 1]" 1
522 1 44 ILE H 1 67 LEU HA . . 5.080 4.569 4.297 5.020 . 0 0 "[ . 1]" 1
523 1 44 ILE H 1 67 LEU HB3 . . 4.490 3.019 2.834 3.266 . 0 0 "[ . 1]" 1
524 1 44 ILE H 1 68 HIS H . . 3.810 2.145 1.989 2.463 . 0 0 "[ . 1]" 1
525 1 44 ILE H 1 68 HIS HB3 . . 5.050 4.252 3.943 4.449 . 0 0 "[ . 1]" 1
526 1 44 ILE H 1 69 LEU HA . . 4.340 3.854 3.716 4.006 . 0 0 "[ . 1]" 1
527 1 44 ILE H 1 70 VAL MG1 . . 5.020 5.040 5.025 5.066 0.046 7 0 "[ . 1]" 1
528 1 44 ILE H 1 70 VAL MG2 . . 4.560 4.435 4.200 4.551 . 0 0 "[ . 1]" 1
529 1 44 ILE HA 1 44 ILE MG . . 3.170 2.714 2.665 2.731 . 0 0 "[ . 1]" 1
530 1 44 ILE HA 1 45 PHE H . . 3.030 2.205 2.176 2.279 . 0 0 "[ . 1]" 1
531 1 44 ILE HA 1 50 LEU H . . 4.040 3.486 3.116 3.815 . 0 0 "[ . 1]" 1
532 1 44 ILE HA 1 50 LEU MD1 . . 4.680 3.128 2.901 3.346 . 0 0 "[ . 1]" 1
533 1 44 ILE HA 1 50 LEU MD2 . . 4.930 2.510 2.092 2.885 . 0 0 "[ . 1]" 1
534 1 44 ILE HB 1 68 HIS H . . 3.830 3.760 3.528 3.879 0.049 9 0 "[ . 1]" 1
535 1 44 ILE HB 1 68 HIS HB3 . . 3.840 3.308 3.008 3.572 . 0 0 "[ . 1]" 1
536 1 44 ILE MD 1 48 LYS HA . . 4.040 3.809 3.494 4.045 0.005 7 0 "[ . 1]" 1
537 1 44 ILE MD 1 49 GLN H . . 4.410 3.687 3.125 4.286 . 0 0 "[ . 1]" 1
538 1 44 ILE MD 1 49 GLN HA . . 3.360 2.570 1.890 3.191 . 0 0 "[ . 1]" 1
539 1 44 ILE MD 1 49 GLN HE22 . . 4.910 4.183 2.789 4.735 . 0 0 "[ . 1]" 1
540 1 44 ILE HG13 1 49 GLN HA . . 4.420 3.815 3.459 4.440 0.020 10 0 "[ . 1]" 1
541 1 44 ILE MG 1 46 ALA HA . . 4.920 4.922 4.881 4.946 0.026 8 0 "[ . 1]" 1
542 1 44 ILE MG 1 47 GLY H . . 3.360 2.793 2.570 3.064 . 0 0 "[ . 1]" 1
543 1 44 ILE MG 1 47 GLY HA3 . . 3.950 3.691 3.405 3.890 . 0 0 "[ . 1]" 1
544 1 44 ILE MG 1 48 LYS H . . 3.570 2.061 1.916 2.299 . 0 0 "[ . 1]" 1
545 1 44 ILE MG 1 50 LEU MD1 . . 4.430 4.065 3.738 4.442 0.012 9 0 "[ . 1]" 1
546 1 44 ILE MG 1 68 HIS H . . 3.800 3.736 3.611 3.822 0.022 10 0 "[ . 1]" 1
547 1 44 ILE MG 1 68 HIS HB3 . . 4.160 3.262 3.051 3.469 . 0 0 "[ . 1]" 1
548 1 44 ILE MG 1 68 HIS HD2 . . 4.050 4.084 4.066 4.103 0.053 5 0 "[ . 1]" 1
549 1 45 PHE H 1 45 PHE HB3 . . 3.870 2.505 2.441 2.592 . 0 0 "[ . 1]" 1
550 1 45 PHE H 1 48 LYS H . . 3.780 3.043 2.836 3.253 . 0 0 "[ . 1]" 1
551 1 45 PHE H 1 50 LEU MD1 . . 4.010 2.255 2.071 2.490 . 0 0 "[ . 1]" 1
552 1 45 PHE H 1 50 LEU MD2 . . 4.340 2.328 2.047 2.692 . 0 0 "[ . 1]" 1
553 1 45 PHE H 1 61 ILE MD . . 5.030 4.956 4.821 5.033 0.003 9 0 "[ . 1]" 1
554 1 45 PHE HA 1 45 PHE QD . . 3.020 2.126 1.929 2.216 . 0 0 "[ . 1]" 1
555 1 45 PHE HA 1 45 PHE QE . . 4.440 4.383 4.296 4.424 . 0 0 "[ . 1]" 1
556 1 45 PHE HA 1 46 ALA H . . 2.980 2.256 2.242 2.285 . 0 0 "[ . 1]" 1
557 1 45 PHE HA 1 46 ALA HA . . 4.620 4.357 4.350 4.365 . 0 0 "[ . 1]" 1
558 1 45 PHE HA 1 50 LEU MD1 . . 5.130 4.191 4.051 4.351 . 0 0 "[ . 1]" 1
559 1 45 PHE HA 1 50 LEU MD2 . . 4.800 3.702 3.521 3.962 . 0 0 "[ . 1]" 1
560 1 45 PHE HB3 1 50 LEU MD1 . . 3.890 1.976 1.957 2.044 . 0 0 "[ . 1]" 1
561 1 45 PHE HB3 1 50 LEU MD2 . . 3.640 2.919 2.519 3.232 . 0 0 "[ . 1]" 1
562 1 45 PHE HB3 1 61 ILE MD . . 4.090 3.464 3.191 3.663 . 0 0 "[ . 1]" 1
563 1 45 PHE HB3 1 61 ILE HG13 . . 4.480 4.279 4.063 4.496 0.016 9 0 "[ . 1]" 1
564 1 45 PHE HB3 1 67 LEU QD . . 3.620 3.336 3.221 3.481 . 0 0 "[ . 1]" 1
565 1 45 PHE QD 1 46 ALA H . . 3.600 2.879 2.506 3.076 . 0 0 "[ . 1]" 1
566 1 45 PHE QD 1 46 ALA HA . . 5.030 4.815 4.591 4.911 . 0 0 "[ . 1]" 1
567 1 45 PHE QD 1 46 ALA MB . . 3.620 3.427 3.348 3.571 . 0 0 "[ . 1]" 1
568 1 45 PHE QD 1 50 LEU MD1 . . 3.860 3.412 3.231 3.536 . 0 0 "[ . 1]" 1
569 1 45 PHE QD 1 50 LEU MD2 . . 4.210 3.779 3.609 3.969 . 0 0 "[ . 1]" 1
570 1 45 PHE QD 1 59 TYR HA . . 4.970 4.781 4.416 4.937 . 0 0 "[ . 1]" 1
571 1 45 PHE QD 1 59 TYR HB3 . . 4.150 2.665 2.464 2.869 . 0 0 "[ . 1]" 1
572 1 45 PHE QD 1 60 ASN HD21 . . 5.190 5.013 4.259 6.118 0.928 8 1 "[ . + 1]" 1
573 1 45 PHE QD 1 61 ILE HA . . 5.020 4.219 3.909 4.445 . 0 0 "[ . 1]" 1
574 1 45 PHE QD 1 61 ILE MD . . 3.730 3.072 2.945 3.222 . 0 0 "[ . 1]" 1
575 1 45 PHE QD 1 61 ILE HG13 . . 4.320 2.522 2.097 2.816 . 0 0 "[ . 1]" 1
576 1 45 PHE QD 1 61 ILE MG . . 4.410 4.412 4.308 4.449 0.039 9 0 "[ . 1]" 1
577 1 45 PHE QD 1 67 LEU HB3 . . 4.720 4.153 3.422 4.520 . 0 0 "[ . 1]" 1
578 1 45 PHE QD 1 67 LEU QD . . 3.550 2.154 1.901 2.730 . 0 0 "[ . 1]" 1
579 1 45 PHE QD 1 68 HIS H . . 4.730 4.607 4.316 4.772 0.042 2 0 "[ . 1]" 1
580 1 45 PHE QE 1 46 ALA MB . . 3.790 3.771 3.709 3.894 0.104 9 0 "[ . 1]" 1
581 1 45 PHE QE 1 61 ILE HA . . 4.270 2.421 1.978 2.716 . 0 0 "[ . 1]" 1
582 1 45 PHE QE 1 61 ILE HB . . 4.960 4.399 4.047 4.616 . 0 0 "[ . 1]" 1
583 1 45 PHE QE 1 61 ILE MD . . 4.410 3.837 3.697 3.957 . 0 0 "[ . 1]" 1
584 1 45 PHE QE 1 61 ILE HG13 . . 4.460 2.519 2.278 2.754 . 0 0 "[ . 1]" 1
585 1 45 PHE QE 1 61 ILE MG . . 4.430 3.727 3.640 3.799 . 0 0 "[ . 1]" 1
586 1 45 PHE QE 1 65 SER HA . . 4.180 3.283 3.016 3.645 . 0 0 "[ . 1]" 1
587 1 45 PHE QE 1 65 SER HB3 . . 4.200 2.164 1.975 2.619 . 0 0 "[ . 1]" 1
588 1 45 PHE QE 1 66 THR H . . 3.830 3.410 2.866 3.740 . 0 0 "[ . 1]" 1
589 1 45 PHE QE 1 67 LEU QD . . 4.360 2.851 2.644 3.374 . 0 0 "[ . 1]" 1
590 1 45 PHE HZ 1 46 ALA MB . . 4.530 4.486 4.370 4.541 0.011 4 0 "[ . 1]" 1
591 1 45 PHE HZ 1 61 ILE HA . . 4.340 2.669 2.340 3.054 . 0 0 "[ . 1]" 1
592 1 45 PHE HZ 1 61 ILE HG13 . . 4.920 4.079 3.690 4.538 . 0 0 "[ . 1]" 1
593 1 45 PHE HZ 1 61 ILE MG . . 4.770 3.753 3.563 3.950 . 0 0 "[ . 1]" 1
594 1 45 PHE HZ 1 62 GLN H . . 4.300 3.237 2.826 3.608 . 0 0 "[ . 1]" 1
595 1 45 PHE HZ 1 65 SER HA . . 5.000 4.010 3.300 4.469 . 0 0 "[ . 1]" 1
596 1 45 PHE HZ 1 67 LEU QD . . 4.590 4.277 4.154 4.387 . 0 0 "[ . 1]" 1
597 1 46 ALA H 1 46 ALA MB . . 3.320 2.669 2.627 2.711 . 0 0 "[ . 1]" 1
598 1 46 ALA H 1 47 GLY H . . 3.670 2.985 2.889 3.067 . 0 0 "[ . 1]" 1
599 1 46 ALA HA 1 47 GLY H . . 3.400 2.733 2.598 2.841 . 0 0 "[ . 1]" 1
600 1 46 ALA HA 1 47 GLY HA2 . . 4.840 4.758 4.691 4.801 . 0 0 "[ . 1]" 1
601 1 46 ALA MB 1 47 GLY H . . 3.990 3.778 3.750 3.792 . 0 0 "[ . 1]" 1
602 1 46 ALA MB 1 48 LYS H . . 4.540 3.977 3.721 4.475 . 0 0 "[ . 1]" 1
603 1 47 GLY H 1 48 LYS H . . 3.670 2.947 2.761 3.163 . 0 0 "[ . 1]" 1
604 1 48 LYS H 1 49 GLN H . . 4.620 4.355 4.113 4.428 . 0 0 "[ . 1]" 1
605 1 48 LYS HA 1 49 GLN H . . 2.810 2.260 2.197 2.339 . 0 0 "[ . 1]" 1
606 1 49 GLN HA 1 50 LEU H . . 3.010 2.268 2.206 2.319 . 0 0 "[ . 1]" 1
607 1 49 GLN HA 1 50 LEU MD1 . . 4.640 3.615 3.489 3.705 . 0 0 "[ . 1]" 1
608 1 49 GLN HA 1 50 LEU MD2 . . 4.950 4.964 4.926 4.990 0.040 5 0 "[ . 1]" 1
609 1 49 GLN HE21 1 50 LEU H . . 5.080 3.813 2.408 4.899 . 0 0 "[ . 1]" 1
610 1 50 LEU H 1 50 LEU HB3 . . 4.110 3.383 3.333 3.437 . 0 0 "[ . 1]" 1
611 1 50 LEU H 1 50 LEU MD1 . . 3.930 2.979 2.709 3.139 . 0 0 "[ . 1]" 1
612 1 50 LEU H 1 50 LEU MD2 . . 3.990 3.913 3.655 4.016 0.026 10 0 "[ . 1]" 1
613 1 50 LEU HA 1 50 LEU MD1 . . 3.280 1.944 1.892 2.019 . 0 0 "[ . 1]" 1
614 1 50 LEU HA 1 51 GLU H . . 3.250 2.484 2.227 2.718 . 0 0 "[ . 1]" 1
615 1 50 LEU HA 1 59 TYR QE . . 4.110 3.086 2.993 3.255 . 0 0 "[ . 1]" 1
616 1 50 LEU HB3 1 51 GLU H . . 4.390 2.654 2.112 3.340 . 0 0 "[ . 1]" 1
617 1 50 LEU HB3 1 59 TYR QE . . 4.170 3.430 3.123 3.571 . 0 0 "[ . 1]" 1
618 1 50 LEU MD1 1 51 GLU H . . 4.320 3.636 3.537 3.725 . 0 0 "[ . 1]" 1
619 1 50 LEU MD1 1 59 TYR HB3 . . 4.670 3.654 3.410 3.861 . 0 0 "[ . 1]" 1
620 1 50 LEU MD1 1 59 TYR QD . . 3.630 3.137 3.056 3.306 . 0 0 "[ . 1]" 1
621 1 50 LEU MD1 1 59 TYR QE . . 3.730 2.815 2.584 3.129 . 0 0 "[ . 1]" 1
622 1 50 LEU MD2 1 67 LEU HG . . 4.080 3.992 3.733 4.109 0.029 1 0 "[ . 1]" 1
623 1 50 LEU HG 1 51 GLU H . . 5.190 3.302 2.948 3.796 . 0 0 "[ . 1]" 1
624 1 50 LEU HG 1 59 TYR QD . . 4.150 3.104 2.898 3.328 . 0 0 "[ . 1]" 1
625 1 50 LEU HG 1 59 TYR QE . . 4.480 2.557 2.143 2.946 . 0 0 "[ . 1]" 1
626 1 51 GLU H 1 51 GLU HB3 . . 3.770 3.610 3.183 3.834 0.064 8 0 "[ . 1]" 1
627 1 51 GLU H 1 51 GLU HG3 . . 4.340 3.568 2.367 4.160 . 0 0 "[ . 1]" 1
628 1 51 GLU H 1 52 ASP H . . 4.590 4.396 4.280 4.508 . 0 0 "[ . 1]" 1
629 1 51 GLU H 1 59 TYR QE . . 3.820 2.295 1.959 2.839 . 0 0 "[ . 1]" 1
630 1 51 GLU HA 1 51 GLU HG3 . . 3.610 3.074 2.672 3.660 0.050 4 0 "[ . 1]" 1
631 1 51 GLU HA 1 52 ASP H . . 2.860 2.386 2.330 2.506 . 0 0 "[ . 1]" 1
632 1 51 GLU HG3 1 52 ASP H . . 4.550 4.587 3.751 4.823 0.273 6 0 "[ . 1]" 1
633 1 52 ASP H 1 52 ASP HB3 . . 3.930 2.786 2.578 3.558 . 0 0 "[ . 1]" 1
634 1 54 ARG H 1 54 ARG HB3 . . 4.080 3.351 3.247 3.464 . 0 0 "[ . 1]" 1
635 1 54 ARG H 1 54 ARG HG3 . . 3.930 4.057 3.929 4.170 0.240 8 0 "[ . 1]" 1
636 1 54 ARG H 1 55 THR H . . 4.730 4.429 4.375 4.461 . 0 0 "[ . 1]" 1
637 1 54 ARG H 1 59 TYR QE . . 4.330 3.947 3.700 4.227 . 0 0 "[ . 1]" 1
638 1 54 ARG HA 1 54 ARG HD3 . . 4.590 2.601 1.988 3.142 . 0 0 "[ . 1]" 1
639 1 54 ARG HA 1 54 ARG HE . . 4.490 3.722 2.141 4.492 0.002 2 0 "[ . 1]" 1
640 1 54 ARG HA 1 54 ARG HG3 . . 4.110 3.534 3.383 3.620 . 0 0 "[ . 1]" 1
641 1 54 ARG HA 1 55 THR H . . 3.180 2.839 2.812 2.882 . 0 0 "[ . 1]" 1
642 1 54 ARG HA 1 55 THR MG . . 3.960 4.001 3.906 4.057 0.097 8 0 "[ . 1]" 1
643 1 54 ARG HB3 1 54 ARG HD3 . . 3.980 2.663 2.100 3.680 . 0 0 "[ . 1]" 1
644 1 54 ARG HB3 1 54 ARG HE . . 4.980 4.219 3.349 4.434 . 0 0 "[ . 1]" 1
645 1 54 ARG HB3 1 55 THR H . . 3.650 1.903 1.872 1.921 . 0 0 "[ . 1]" 1
646 1 54 ARG HB3 1 59 TYR QD . . 4.890 3.237 3.095 3.371 . 0 0 "[ . 1]" 1
647 1 54 ARG HB3 1 59 TYR QE . . 3.700 2.521 2.380 3.016 . 0 0 "[ . 1]" 1
648 1 54 ARG HD3 1 59 TYR QE . . 4.880 4.456 3.872 4.902 0.022 4 0 "[ . 1]" 1
649 1 54 ARG HG3 1 55 THR H . . 3.860 4.058 3.983 4.144 0.284 10 0 "[ . 1]" 1
650 1 54 ARG HG3 1 59 TYR QD . . 4.550 4.264 4.025 4.539 . 0 0 "[ . 1]" 1
651 1 54 ARG HG3 1 59 TYR QE . . 3.990 2.887 2.688 3.165 . 0 0 "[ . 1]" 1
652 1 55 THR H 1 56 LEU H . . 5.060 4.395 4.376 4.411 . 0 0 "[ . 1]" 1
653 1 55 THR H 1 58 ASP H . . 4.290 3.663 3.496 3.812 . 0 0 "[ . 1]" 1
654 1 55 THR H 1 58 ASP HB3 . . 4.090 2.778 1.970 3.256 . 0 0 "[ . 1]" 1
655 1 55 THR H 1 59 TYR QE . . 4.660 3.936 3.788 4.258 . 0 0 "[ . 1]" 1
656 1 55 THR HA 1 55 THR MG . . 3.260 2.072 2.056 2.094 . 0 0 "[ . 1]" 1
657 1 55 THR HA 1 56 LEU H . . 3.350 2.416 2.376 2.455 . 0 0 "[ . 1]" 1
658 1 55 THR HA 1 56 LEU HG . . 4.770 3.907 3.859 3.959 . 0 0 "[ . 1]" 1
659 1 55 THR HA 1 57 SER H . . 4.700 4.609 4.570 4.687 . 0 0 "[ . 1]" 1
660 1 55 THR HA 1 58 ASP H . . 4.670 4.332 4.254 4.424 . 0 0 "[ . 1]" 1
661 1 55 THR HB 1 56 LEU H . . 3.310 2.761 2.670 2.867 . 0 0 "[ . 1]" 1
662 1 55 THR HB 1 56 LEU HG . . 4.350 4.407 4.381 4.433 0.083 5 0 "[ . 1]" 1
663 1 55 THR HB 1 57 SER H . . 3.610 2.952 2.881 3.036 . 0 0 "[ . 1]" 1
664 1 55 THR HB 1 58 ASP H . . 4.410 2.833 2.768 2.913 . 0 0 "[ . 1]" 1
665 1 55 THR MG 1 56 LEU H . . 3.920 3.287 3.233 3.424 . 0 0 "[ . 1]" 1
666 1 55 THR MG 1 56 LEU MD2 . . 3.920 3.954 3.922 3.975 0.055 3 0 "[ . 1]" 1
667 1 55 THR MG 1 57 SER H . . 4.460 4.322 4.253 4.407 . 0 0 "[ . 1]" 1
668 1 55 THR MG 1 58 ASP H . . 4.280 4.401 4.352 4.454 0.174 8 0 "[ . 1]" 1
669 1 56 LEU H 1 56 LEU HB3 . . 4.030 3.501 3.483 3.520 . 0 0 "[ . 1]" 1
670 1 56 LEU H 1 56 LEU MD1 . . 3.960 3.596 3.576 3.616 . 0 0 "[ . 1]" 1
671 1 56 LEU H 1 56 LEU MD2 . . 3.970 2.193 2.045 2.324 . 0 0 "[ . 1]" 1
672 1 56 LEU H 1 56 LEU HG . . 3.310 1.935 1.916 1.951 . 0 0 "[ . 1]" 1
673 1 56 LEU H 1 57 SER H . . 3.770 2.744 2.617 2.906 . 0 0 "[ . 1]" 1
674 1 56 LEU HA 1 56 LEU MD1 . . 4.230 3.837 3.819 3.853 . 0 0 "[ . 1]" 1
675 1 56 LEU HA 1 56 LEU MD2 . . 3.090 2.101 2.057 2.139 . 0 0 "[ . 1]" 1
676 1 56 LEU HA 1 56 LEU HG . . 4.250 3.579 3.556 3.617 . 0 0 "[ . 1]" 1
677 1 56 LEU HA 1 58 ASP H . . 4.590 3.757 3.695 3.815 . 0 0 "[ . 1]" 1
678 1 56 LEU HA 1 59 TYR H . . 4.430 3.014 2.909 3.055 . 0 0 "[ . 1]" 1
679 1 56 LEU HA 1 59 TYR QD . . 3.740 2.951 2.645 3.167 . 0 0 "[ . 1]" 1
680 1 56 LEU HA 1 61 ILE HB . . 4.220 2.156 2.002 2.304 . 0 0 "[ . 1]" 1
681 1 56 LEU HA 1 61 ILE MD . . 3.610 2.032 1.936 2.190 . 0 0 "[ . 1]" 1
682 1 56 LEU HA 1 61 ILE MG . . 4.630 3.338 3.182 3.512 . 0 0 "[ . 1]" 1
683 1 56 LEU HB3 1 56 LEU MD2 . . 3.470 2.507 2.490 2.527 . 0 0 "[ . 1]" 1
684 1 56 LEU HB3 1 57 SER H . . 4.160 3.845 3.746 3.902 . 0 0 "[ . 1]" 1
685 1 56 LEU HB3 1 61 ILE H . . 4.530 4.046 3.947 4.171 . 0 0 "[ . 1]" 1
686 1 56 LEU HB3 1 61 ILE MD . . 4.000 2.694 2.410 2.918 . 0 0 "[ . 1]" 1
687 1 56 LEU HB3 1 61 ILE MG . . 4.050 1.969 1.888 2.108 . 0 0 "[ . 1]" 1
688 1 56 LEU MD1 1 57 SER H . . 4.400 4.408 4.364 4.439 0.039 10 0 "[ . 1]" 1
689 1 56 LEU MD1 1 61 ILE MG . . 3.390 2.567 2.478 2.626 . 0 0 "[ . 1]" 1
690 1 56 LEU MD2 1 57 SER H . . 4.610 4.261 4.199 4.294 . 0 0 "[ . 1]" 1
691 1 56 LEU MD2 1 59 TYR QD . . 4.290 3.017 2.795 3.216 . 0 0 "[ . 1]" 1
692 1 56 LEU MD2 1 61 ILE H . . 4.830 4.902 4.874 4.945 0.115 3 0 "[ . 1]" 1
693 1 56 LEU MD2 1 61 ILE HB . . 3.700 3.304 3.206 3.447 . 0 0 "[ . 1]" 1
694 1 56 LEU MD2 1 61 ILE MD . . 2.730 2.037 1.924 2.200 . 0 0 "[ . 1]" 1
695 1 57 SER H 1 57 SER HB3 . . 3.670 2.551 2.291 2.849 . 0 0 "[ . 1]" 1
696 1 57 SER H 1 58 ASP H . . 3.720 2.672 2.630 2.732 . 0 0 "[ . 1]" 1
697 1 57 SER H 1 59 TYR H . . 5.220 4.100 3.959 4.245 . 0 0 "[ . 1]" 1
698 1 57 SER HA 1 60 ASN H . . 3.840 3.674 3.433 3.831 . 0 0 "[ . 1]" 1
699 1 57 SER HA 1 61 ILE H . . 4.010 3.993 3.897 4.068 0.058 8 0 "[ . 1]" 1
700 1 57 SER HB3 1 58 ASP H . . 4.660 3.429 3.125 4.295 . 0 0 "[ . 1]" 1
701 1 58 ASP H 1 58 ASP HB3 . . 3.850 3.277 2.883 3.476 . 0 0 "[ . 1]" 1
702 1 58 ASP H 1 59 TYR H . . 3.560 2.205 2.167 2.229 . 0 0 "[ . 1]" 1
703 1 58 ASP HA 1 60 ASN H . . 4.890 3.592 3.489 3.752 . 0 0 "[ . 1]" 1
704 1 58 ASP HB3 1 59 TYR H . . 4.480 3.323 2.760 3.621 . 0 0 "[ . 1]" 1
705 1 58 ASP HB3 1 59 TYR QD . . 4.900 4.519 4.232 4.731 . 0 0 "[ . 1]" 1
706 1 59 TYR H 1 59 TYR HB3 . . 3.730 3.340 3.327 3.366 . 0 0 "[ . 1]" 1
707 1 59 TYR H 1 60 ASN H . . 3.200 2.561 2.306 2.691 . 0 0 "[ . 1]" 1
708 1 59 TYR HA 1 59 TYR QD . . 3.000 2.021 1.979 2.092 . 0 0 "[ . 1]" 1
709 1 59 TYR HA 1 59 TYR QE . . 4.270 4.269 4.251 4.299 0.029 4 0 "[ . 1]" 1
710 1 59 TYR HA 1 61 ILE MD . . 4.750 4.686 4.561 4.772 0.022 4 0 "[ . 1]" 1
711 1 59 TYR HB3 1 60 ASN H . . 4.690 4.119 4.023 4.201 . 0 0 "[ . 1]" 1
712 1 59 TYR HB3 1 61 ILE MD . . 3.890 2.546 2.302 2.648 . 0 0 "[ . 1]" 1
713 1 59 TYR HB3 1 61 ILE HG13 . . 4.240 2.162 2.022 2.310 . 0 0 "[ . 1]" 1
714 1 59 TYR QD 1 61 ILE MD . . 3.720 2.427 2.273 2.552 . 0 0 "[ . 1]" 1
715 1 59 TYR QD 1 61 ILE MG . . 5.050 5.064 5.007 5.103 0.053 8 0 "[ . 1]" 1
716 1 59 TYR QE 1 61 ILE MD . . 5.020 4.271 4.173 4.372 . 0 0 "[ . 1]" 1
717 1 60 ASN H 1 60 ASN HA . . 2.890 2.182 2.168 2.197 . 0 0 "[ . 1]" 1
718 1 60 ASN H 1 61 ILE HA . . 5.010 5.113 5.050 5.183 0.173 2 0 "[ . 1]" 1
719 1 60 ASN H 1 61 ILE HB . . 4.720 4.465 4.359 4.578 . 0 0 "[ . 1]" 1
720 1 60 ASN HA 1 61 ILE H . . 3.440 3.239 3.164 3.328 . 0 0 "[ . 1]" 1
721 1 60 ASN HB3 1 61 ILE H . . 4.990 4.119 3.708 4.537 . 0 0 "[ . 1]" 1
722 1 61 ILE H 1 61 ILE HB . . 3.280 2.222 2.167 2.287 . 0 0 "[ . 1]" 1
723 1 61 ILE H 1 61 ILE MD . . 3.980 3.427 3.278 3.532 . 0 0 "[ . 1]" 1
724 1 61 ILE H 1 61 ILE HG13 . . 3.720 2.457 2.295 2.606 . 0 0 "[ . 1]" 1
725 1 61 ILE H 1 61 ILE MG . . 4.090 3.640 3.606 3.673 . 0 0 "[ . 1]" 1
726 1 61 ILE H 1 62 GLN H . . 4.690 4.617 4.581 4.646 . 0 0 "[ . 1]" 1
727 1 61 ILE HA 1 61 ILE MD . . 4.020 3.791 3.773 3.815 . 0 0 "[ . 1]" 1
728 1 61 ILE HA 1 61 ILE HG13 . . 3.840 2.662 2.588 2.792 . 0 0 "[ . 1]" 1
729 1 61 ILE HA 1 61 ILE MG . . 3.400 2.580 2.513 2.648 . 0 0 "[ . 1]" 1
730 1 61 ILE HA 1 62 GLN H . . 2.960 2.225 2.196 2.259 . 0 0 "[ . 1]" 1
731 1 61 ILE HA 1 65 SER HB3 . . 4.780 3.556 3.321 3.803 . 0 0 "[ . 1]" 1
732 1 61 ILE HB 1 61 ILE MD . . 3.480 2.310 2.268 2.360 . 0 0 "[ . 1]" 1
733 1 61 ILE HB 1 62 GLN H . . 4.840 4.320 4.209 4.417 . 0 0 "[ . 1]" 1
734 1 61 ILE MD 1 62 GLN H . . 4.970 5.011 4.981 5.062 0.092 2 0 "[ . 1]" 1
735 1 61 ILE HG13 1 61 ILE MG . . 3.750 3.232 3.224 3.238 . 0 0 "[ . 1]" 1
736 1 61 ILE MG 1 62 GLN H . . 3.670 2.569 2.347 2.803 . 0 0 "[ . 1]" 1
737 1 61 ILE MG 1 62 GLN HA . . 4.930 3.368 3.267 3.482 . 0 0 "[ . 1]" 1
738 1 61 ILE MG 1 65 SER HA . . 4.830 4.799 4.613 4.880 0.050 7 0 "[ . 1]" 1
739 1 61 ILE MG 1 65 SER HB3 . . 3.590 2.961 2.696 3.071 . 0 0 "[ . 1]" 1
740 1 62 GLN H 1 62 GLN HB3 . . 3.600 3.305 3.078 3.729 0.129 6 0 "[ . 1]" 1
741 1 62 GLN H 1 62 GLN HG3 . . 3.950 3.241 2.526 3.869 . 0 0 "[ . 1]" 1
742 1 62 GLN H 1 63 LYS H . . 4.790 4.285 4.145 4.474 . 0 0 "[ . 1]" 1
743 1 62 GLN HA 1 62 GLN HG3 . . 3.770 3.625 3.504 3.731 . 0 0 "[ . 1]" 1
744 1 62 GLN HA 1 63 LYS H . . 3.030 2.826 2.361 3.036 0.006 10 0 "[ . 1]" 1
745 1 63 LYS H 1 63 LYS HB3 . . 3.170 2.547 2.365 2.658 . 0 0 "[ . 1]" 1
746 1 63 LYS H 1 64 GLU H . . 4.940 4.623 4.600 4.655 . 0 0 "[ . 1]" 1
747 1 63 LYS HA 1 64 GLU H . . 3.040 2.282 2.224 2.352 . 0 0 "[ . 1]" 1
748 1 63 LYS HA 1 64 GLU HA . . 4.180 4.371 4.338 4.399 0.219 1 0 "[ . 1]" 1
749 1 63 LYS HA 1 65 SER H . . 4.210 3.300 3.051 3.718 . 0 0 "[ . 1]" 1
750 1 63 LYS HG3 1 64 GLU HG3 . . 4.310 3.291 2.530 3.888 . 0 0 "[ . 1]" 1
751 1 64 GLU H 1 64 GLU HG3 . . 4.310 2.917 2.562 3.527 . 0 0 "[ . 1]" 1
752 1 64 GLU H 1 65 SER H . . 3.770 2.575 2.453 2.733 . 0 0 "[ . 1]" 1
753 1 64 GLU HA 1 64 GLU HG3 . . 3.980 2.858 2.626 3.243 . 0 0 "[ . 1]" 1
754 1 65 SER H 1 65 SER HB3 . . 3.550 3.543 3.173 3.699 0.149 8 0 "[ . 1]" 1
755 1 65 SER H 1 66 THR H . . 4.940 4.371 4.191 4.568 . 0 0 "[ . 1]" 1
756 1 65 SER HA 1 66 THR H . . 3.000 2.231 2.221 2.239 . 0 0 "[ . 1]" 1
757 1 65 SER HA 1 66 THR HB . . 4.850 4.667 4.572 4.764 . 0 0 "[ . 1]" 1
758 1 65 SER HB3 1 66 THR H . . 4.360 3.793 3.326 3.940 . 0 0 "[ . 1]" 1
759 1 65 SER HB3 1 67 LEU QD . . 3.950 3.369 3.024 4.000 0.050 6 0 "[ . 1]" 1
760 1 66 THR H 1 66 THR HB . . 3.400 2.470 2.366 2.543 . 0 0 "[ . 1]" 1
761 1 66 THR HA 1 66 THR MG . . 3.330 2.238 2.174 2.306 . 0 0 "[ . 1]" 1
762 1 66 THR HA 1 67 LEU H . . 3.060 2.176 2.150 2.220 . 0 0 "[ . 1]" 1
763 1 66 THR HA 1 67 LEU QD . . 4.530 2.779 2.579 3.395 . 0 0 "[ . 1]" 1
764 1 66 THR HB 1 67 LEU H . . 4.860 4.247 4.118 4.355 . 0 0 "[ . 1]" 1
765 1 66 THR MG 1 67 LEU H . . 3.630 2.742 2.464 3.076 . 0 0 "[ . 1]" 1
766 1 66 THR MG 1 68 HIS HD2 . . 3.970 4.000 3.963 4.032 0.062 9 0 "[ . 1]" 1
767 1 67 LEU H 1 67 LEU HB3 . . 4.050 3.597 3.566 3.633 . 0 0 "[ . 1]" 1
768 1 67 LEU H 1 67 LEU QD . . 3.700 2.128 1.996 2.418 . 0 0 "[ . 1]" 1
769 1 67 LEU H 1 67 LEU HG . . 4.030 3.639 3.236 3.868 . 0 0 "[ . 1]" 1
770 1 67 LEU H 1 68 HIS H . . 4.660 4.434 4.351 4.504 . 0 0 "[ . 1]" 1
771 1 67 LEU HA 1 67 LEU QD . . 3.530 2.179 2.003 3.063 . 0 0 "[ . 1]" 1
772 1 67 LEU HA 1 67 LEU HG . . 3.970 3.642 2.439 3.793 . 0 0 "[ . 1]" 1
773 1 67 LEU HA 1 68 HIS H . . 3.190 2.742 2.669 2.839 . 0 0 "[ . 1]" 1
774 1 67 LEU HA 1 68 HIS HD2 . . 4.080 2.746 2.560 2.922 . 0 0 "[ . 1]" 1
775 1 67 LEU HB3 1 68 HIS H . . 3.630 1.994 1.914 2.095 . 0 0 "[ . 1]" 1
776 1 67 LEU HB3 1 68 HIS HD2 . . 4.750 4.469 4.308 4.616 . 0 0 "[ . 1]" 1
777 1 67 LEU HG 1 68 HIS H . . 4.670 4.582 4.328 4.698 0.028 6 0 "[ . 1]" 1
778 1 68 HIS H 1 68 HIS HB3 . . 4.090 3.732 3.701 3.758 . 0 0 "[ . 1]" 1
779 1 68 HIS H 1 68 HIS HD2 . . 3.940 3.280 3.100 3.454 . 0 0 "[ . 1]" 1
780 1 68 HIS H 1 69 LEU H . . 4.480 4.119 4.025 4.345 . 0 0 "[ . 1]" 1
781 1 68 HIS HA 1 68 HIS HD2 . . 4.680 3.328 3.209 3.418 . 0 0 "[ . 1]" 1
782 1 68 HIS HA 1 69 LEU H . . 2.900 2.198 2.186 2.236 . 0 0 "[ . 1]" 1
783 1 68 HIS HB3 1 69 LEU H . . 4.240 3.667 3.216 3.895 . 0 0 "[ . 1]" 1
784 1 69 LEU H 1 69 LEU HB3 . . 3.450 2.285 2.199 2.383 . 0 0 "[ . 1]" 1
785 1 69 LEU H 1 69 LEU MD1 . . 4.270 4.216 4.136 4.272 0.002 3 0 "[ . 1]" 1
786 1 69 LEU H 1 69 LEU MD2 . . 4.580 4.275 4.172 4.371 . 0 0 "[ . 1]" 1
787 1 69 LEU H 1 69 LEU HG . . 4.400 4.155 4.031 4.295 . 0 0 "[ . 1]" 1
788 1 69 LEU H 1 70 VAL H . . 4.540 4.341 4.129 4.428 . 0 0 "[ . 1]" 1
789 1 69 LEU H 1 70 VAL MG1 . . 4.770 4.060 3.858 4.142 . 0 0 "[ . 1]" 1
790 1 69 LEU HA 1 69 LEU MD1 . . 3.280 2.125 1.966 2.278 . 0 0 "[ . 1]" 1
791 1 69 LEU HA 1 69 LEU HG . . 3.880 3.436 3.355 3.511 . 0 0 "[ . 1]" 1
792 1 69 LEU HA 1 70 VAL H . . 2.930 2.185 2.176 2.201 . 0 0 "[ . 1]" 1
793 1 69 LEU MD1 1 70 VAL H . . 3.300 2.457 2.152 2.871 . 0 0 "[ . 1]" 1
794 1 69 LEU HG 1 70 VAL H . . 4.210 3.961 3.784 4.196 . 0 0 "[ . 1]" 1
795 1 69 LEU HG 1 70 VAL HA . . 4.730 4.027 3.878 4.166 . 0 0 "[ . 1]" 1
796 1 70 VAL H 1 70 VAL HB . . 3.730 3.693 3.596 3.746 0.016 2 0 "[ . 1]" 1
797 1 70 VAL H 1 70 VAL MG1 . . 4.010 3.024 2.864 3.202 . 0 0 "[ . 1]" 1
798 1 70 VAL H 1 70 VAL MG2 . . 3.350 1.962 1.900 2.042 . 0 0 "[ . 1]" 1
799 1 70 VAL H 1 71 LEU H . . 4.850 4.442 4.389 4.549 . 0 0 "[ . 1]" 1
800 1 70 VAL HA 1 70 VAL MG1 . . 3.310 2.191 2.135 2.339 . 0 0 "[ . 1]" 1
801 1 70 VAL HA 1 70 VAL MG2 . . 3.320 3.213 3.206 3.218 . 0 0 "[ . 1]" 1
802 1 70 VAL HA 1 71 LEU H . . 2.910 2.587 2.374 2.744 . 0 0 "[ . 1]" 1
803 1 70 VAL HB 1 71 LEU H . . 3.660 2.264 1.994 2.719 . 0 0 "[ . 1]" 1
804 1 70 VAL MG1 1 71 LEU H . . 3.550 3.593 3.538 3.622 0.072 9 0 "[ . 1]" 1
805 1 70 VAL MG2 1 71 LEU H . . 3.920 3.390 3.064 3.860 . 0 0 "[ . 1]" 1
806 1 71 LEU H 1 71 LEU HB3 . . 3.780 3.014 2.686 3.464 . 0 0 "[ . 1]" 1
807 1 71 LEU H 1 71 LEU MD1 . . 4.790 3.854 3.092 4.537 . 0 0 "[ . 1]" 1
808 1 71 LEU H 1 71 LEU MD2 . . 4.260 3.962 2.851 4.320 0.060 6 0 "[ . 1]" 1
809 1 71 LEU H 1 72 ARG H . . 4.490 4.471 4.398 4.545 0.055 6 0 "[ . 1]" 1
810 1 71 LEU HA 1 71 LEU MD1 . . 3.140 2.285 1.914 3.056 . 0 0 "[ . 1]" 1
811 1 71 LEU HA 1 71 LEU MD2 . . 4.020 3.405 1.924 3.786 . 0 0 "[ . 1]" 1
812 1 71 LEU HA 1 72 ARG H . . 2.920 2.638 2.363 2.791 . 0 0 "[ . 1]" 1
813 1 71 LEU HB3 1 71 LEU MD2 . . 3.270 2.459 1.960 3.213 . 0 0 "[ . 1]" 1
814 1 71 LEU MD1 1 72 ARG H . . 3.860 3.208 1.790 3.589 . 0 0 "[ . 1]" 1
815 1 71 LEU MD2 1 72 ARG H . . 4.180 3.506 3.078 3.887 . 0 0 "[ . 1]" 1
816 1 72 ARG H 1 72 ARG HB3 . . 3.530 3.370 3.076 3.525 . 0 0 "[ . 1]" 1
817 1 72 ARG H 1 73 LEU H . . 4.390 4.428 4.354 4.564 0.174 6 0 "[ . 1]" 1
818 1 72 ARG HA 1 73 LEU H . . 2.880 2.596 2.308 2.797 . 0 0 "[ . 1]" 1
819 1 72 ARG HB3 1 72 ARG HE . . 4.490 3.650 2.475 4.453 . 0 0 "[ . 1]" 1
820 1 72 ARG HB3 1 73 LEU H . . 4.190 2.600 1.986 3.238 . 0 0 "[ . 1]" 1
821 1 72 ARG HB3 1 73 LEU QD . . 4.000 3.085 2.004 3.959 . 0 0 "[ . 1]" 1
822 1 73 LEU H 1 73 LEU HB3 . . 3.550 2.766 2.037 3.858 0.308 7 0 "[ . 1]" 1
823 1 73 LEU H 1 73 LEU QD . . 4.200 2.334 1.687 3.737 . 0 0 "[ . 1]" 1
824 1 73 LEU HA 1 73 LEU QD . . 3.220 2.879 1.892 3.202 . 0 0 "[ . 1]" 1
825 1 73 LEU HA 1 74 ARG H . . 2.940 2.699 2.539 3.019 0.079 2 0 "[ . 1]" 1
826 1 73 LEU HB3 1 73 LEU QD . . 3.180 2.147 1.998 2.476 . 0 0 "[ . 1]" 1
827 1 73 LEU HB3 1 74 ARG H . . 3.780 3.327 1.938 3.995 0.215 1 0 "[ . 1]" 1
828 1 73 LEU QD 1 74 ARG H . . 4.350 2.497 1.816 3.535 . 0 0 "[ . 1]" 1
829 1 73 LEU QD 1 74 ARG HG3 . . 2.880 3.143 2.399 3.946 1.066 7 4 "[ - +**1]" 1
830 1 74 ARG H 1 74 ARG HB3 . . 3.860 2.786 2.405 4.007 0.147 3 0 "[ . 1]" 1
831 1 74 ARG H 1 74 ARG HG3 . . 4.070 3.528 2.843 3.954 . 0 0 "[ . 1]" 1
832 1 74 ARG HA 1 75 GLY H . . 3.210 2.437 2.227 2.778 . 0 0 "[ . 1]" 1
833 1 75 GLY H 1 76 GLY H . . 4.150 3.027 2.385 3.965 . 0 0 "[ . 1]" 1
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