NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375296 |
1f2g   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f2g
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 674
_Distance_constraint_stats_list.Viol_count 990
_Distance_constraint_stats_list.Viol_total 1385.663
_Distance_constraint_stats_list.Viol_max 0.455
_Distance_constraint_stats_list.Viol_rms 0.0373
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0933
_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 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 2 ILE 0.152 0.100 9 0 "[ . 1 .]"
1 3 GLU 2.383 0.193 3 0 "[ . 1 .]"
1 4 VAL 1.924 0.308 7 0 "[ . 1 .]"
1 5 ASN 7.029 0.318 9 0 "[ . 1 .]"
1 6 ASP 4.176 0.355 15 0 "[ . 1 .]"
1 7 ASP 0.804 0.122 6 0 "[ . 1 .]"
1 8 CYS 0.111 0.071 9 0 "[ . 1 .]"
1 12 GLU 0.064 0.040 5 0 "[ . 1 .]"
1 14 CYS 1.008 0.151 2 0 "[ . 1 .]"
1 15 VAL 0.976 0.201 4 0 "[ . 1 .]"
1 16 GLU 0.434 0.127 4 0 "[ . 1 .]"
1 17 ILE 1.339 0.150 8 0 "[ . 1 .]"
1 18 CYS 7.479 0.157 4 0 "[ . 1 .]"
1 19 PRO 1.180 0.157 4 0 "[ . 1 .]"
1 20 ASP 0.535 0.128 11 0 "[ . 1 .]"
1 21 VAL 7.564 0.199 4 0 "[ . 1 .]"
1 22 PHE 9.087 0.220 12 0 "[ . 1 .]"
1 23 GLU 6.469 0.224 9 0 "[ . 1 .]"
1 24 MET 12.842 0.455 15 0 "[ . 1 .]"
1 25 ASN 18.735 0.455 15 0 "[ . 1 .]"
1 26 GLU 7.317 0.406 4 0 "[ . 1 .]"
1 27 GLU 1.024 0.180 3 0 "[ . 1 .]"
1 28 GLY 6.881 0.312 5 0 "[ . 1 .]"
1 29 ASP 2.008 0.297 5 0 "[ . 1 .]"
1 30 LYS 1.924 0.312 5 0 "[ . 1 .]"
1 31 ALA 0.483 0.094 12 0 "[ . 1 .]"
1 32 VAL 2.167 0.168 5 0 "[ . 1 .]"
1 33 VAL 0.026 0.011 1 0 "[ . 1 .]"
1 34 ILE 6.803 0.220 12 0 "[ . 1 .]"
1 35 ASN 5.443 0.209 6 0 "[ . 1 .]"
1 36 PRO 3.855 0.324 7 0 "[ . 1 .]"
1 37 ASP 7.722 0.324 7 0 "[ . 1 .]"
1 38 SER 5.669 0.219 13 0 "[ . 1 .]"
1 39 ASP 1.997 0.177 14 0 "[ . 1 .]"
1 40 LEU 2.911 0.183 9 0 "[ . 1 .]"
1 41 ASP 0.733 0.090 13 0 "[ . 1 .]"
1 42 CYS 1.412 0.213 15 0 "[ . 1 .]"
1 43 VAL 0.389 0.099 2 0 "[ . 1 .]"
1 44 GLU 0.849 0.105 15 0 "[ . 1 .]"
1 45 GLU 6.874 0.221 11 0 "[ . 1 .]"
1 46 ALA 2.105 0.221 11 0 "[ . 1 .]"
1 47 ILE 1.097 0.105 15 0 "[ . 1 .]"
1 48 ASP 2.448 0.143 15 0 "[ . 1 .]"
1 49 SER 0.115 0.050 11 0 "[ . 1 .]"
1 50 CYS 0.242 0.063 4 0 "[ . 1 .]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 56 VAL 2.362 0.164 15 0 "[ . 1 .]"
1 57 ARG 0.717 0.301 15 0 "[ . 1 .]"
1 58 SER 0.182 0.129 13 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 PRO HG3 1 33 VAL MG1 . . 6.530 5.358 4.463 5.695 . 0 0 "[ . 1 .]" 1
2 1 2 ILE H 1 2 ILE MD . . 4.510 1.935 1.770 2.544 . 0 0 "[ . 1 .]" 1
3 1 2 ILE H 1 2 ILE MG . . 4.610 2.533 1.804 3.587 . 0 0 "[ . 1 .]" 1
4 1 2 ILE H 1 3 GLU H . . 5.440 4.382 3.861 4.668 . 0 0 "[ . 1 .]" 1
5 1 2 ILE H 1 21 VAL MG1 . . 6.530 5.207 4.656 5.549 . 0 0 "[ . 1 .]" 1
6 1 2 ILE H 1 33 VAL MG1 . . 6.160 3.627 2.805 4.319 . 0 0 "[ . 1 .]" 1
7 1 2 ILE H 1 36 PRO HA . . 3.610 3.143 2.375 3.710 0.100 9 0 "[ . 1 .]" 1
8 1 2 ILE H 1 36 PRO QB . . 6.380 4.142 3.331 4.727 . 0 0 "[ . 1 .]" 1
9 1 2 ILE H 1 37 ASP H . . 5.500 4.894 4.589 5.244 . 0 0 "[ . 1 .]" 1
10 1 2 ILE H 1 37 ASP HA . . 5.280 4.781 4.394 5.232 . 0 0 "[ . 1 .]" 1
11 1 2 ILE H 1 38 SER H . . 5.500 5.165 4.603 5.529 0.029 2 0 "[ . 1 .]" 1
12 1 2 ILE HB 1 21 VAL MG1 . . 6.530 4.009 3.254 4.693 . 0 0 "[ . 1 .]" 1
13 1 2 ILE MD 1 3 GLU H . . 6.530 4.691 4.344 5.149 . 0 0 "[ . 1 .]" 1
14 1 2 ILE MD 1 21 VAL MG1 . . 7.560 2.941 1.970 4.371 . 0 0 "[ . 1 .]" 1
15 1 2 ILE MD 1 22 PHE HZ . . 6.530 4.631 4.033 5.532 . 0 0 "[ . 1 .]" 1
16 1 2 ILE MD 1 33 VAL MG1 . . 6.780 2.206 1.678 4.569 . 0 0 "[ . 1 .]" 1
17 1 2 ILE MD 1 36 PRO HA . . 4.300 1.980 1.754 3.194 . 0 0 "[ . 1 .]" 1
18 1 2 ILE MD 1 36 PRO QB . . 7.400 3.232 2.043 3.955 . 0 0 "[ . 1 .]" 1
19 1 2 ILE MD 1 36 PRO QG . . 7.400 4.464 3.808 5.226 . 0 0 "[ . 1 .]" 1
20 1 2 ILE MD 1 37 ASP H . . 6.530 2.951 2.164 3.731 . 0 0 "[ . 1 .]" 1
21 1 2 ILE MD 1 37 ASP HB3 . . 6.530 5.177 4.180 5.547 . 0 0 "[ . 1 .]" 1
22 1 2 ILE MD 1 38 SER H . . 6.530 2.986 1.760 4.473 . 0 0 "[ . 1 .]" 1
23 1 2 ILE MG 1 3 GLU H . . 4.760 3.946 3.287 4.299 . 0 0 "[ . 1 .]" 1
24 1 2 ILE MG 1 21 VAL MG1 . . 6.010 2.961 1.942 3.371 . 0 0 "[ . 1 .]" 1
25 1 2 ILE MG 1 22 PHE HE1 . . 4.450 3.433 2.057 3.809 . 0 0 "[ . 1 .]" 1
26 1 2 ILE MG 1 22 PHE HZ . . 4.360 3.178 2.019 3.554 . 0 0 "[ . 1 .]" 1
27 1 2 ILE MG 1 37 ASP H . . 6.430 4.305 3.770 4.862 . 0 0 "[ . 1 .]" 1
28 1 2 ILE MG 1 37 ASP HA . . 5.130 4.242 4.109 4.360 . 0 0 "[ . 1 .]" 1
29 1 2 ILE MG 1 38 SER H . . 4.640 3.554 3.283 3.810 . 0 0 "[ . 1 .]" 1
30 1 2 ILE MG 1 38 SER HB2 . . 5.040 3.940 3.397 4.246 . 0 0 "[ . 1 .]" 1
31 1 2 ILE MG 1 43 VAL HB . . 6.530 4.573 4.192 5.231 . 0 0 "[ . 1 .]" 1
32 1 3 GLU H 1 3 GLU HB2 . . 3.550 3.017 2.582 3.740 0.190 11 0 "[ . 1 .]" 1
33 1 3 GLU H 1 3 GLU HB3 . . 4.110 3.227 2.671 3.989 . 0 0 "[ . 1 .]" 1
34 1 3 GLU H 1 4 VAL H . . 5.500 4.398 4.196 4.586 . 0 0 "[ . 1 .]" 1
35 1 3 GLU H 1 33 VAL MG1 . . 6.530 5.236 4.589 5.429 . 0 0 "[ . 1 .]" 1
36 1 3 GLU H 1 56 VAL MG1 . . 6.530 5.370 5.037 5.514 . 0 0 "[ . 1 .]" 1
37 1 3 GLU H 1 56 VAL MG2 . . 6.530 3.266 2.613 3.772 . 0 0 "[ . 1 .]" 1
38 1 3 GLU H 1 56 VAL O . . 2.000 2.000 1.837 2.141 0.141 9 0 "[ . 1 .]" 1
39 1 3 GLU H 1 57 ARG H . . 5.500 5.050 4.690 5.263 . 0 0 "[ . 1 .]" 1
40 1 3 GLU H 1 57 ARG HA . . 4.290 3.525 3.188 3.924 . 0 0 "[ . 1 .]" 1
41 1 3 GLU H 1 58 SER H . . 5.500 3.819 2.677 4.650 . 0 0 "[ . 1 .]" 1
42 1 3 GLU HB2 1 4 VAL H . . 4.110 3.694 2.053 4.303 0.193 3 0 "[ . 1 .]" 1
43 1 3 GLU HB2 1 56 VAL MG2 . . 4.760 3.202 2.468 3.909 . 0 0 "[ . 1 .]" 1
44 1 3 GLU HB3 1 4 VAL H . . 3.760 3.325 1.992 3.791 0.031 3 0 "[ . 1 .]" 1
45 1 3 GLU QG 1 4 VAL H . . 6.380 2.715 1.922 4.224 . 0 0 "[ . 1 .]" 1
46 1 3 GLU QG 1 4 VAL MG2 . . 7.400 5.123 4.797 5.507 . 0 0 "[ . 1 .]" 1
47 1 3 GLU QG 1 56 VAL H . . 6.380 4.710 3.074 5.576 . 0 0 "[ . 1 .]" 1
48 1 3 GLU QG 1 58 SER H . . 6.380 4.848 2.836 5.695 . 0 0 "[ . 1 .]" 1
49 1 3 GLU N 1 56 VAL O . . 3.000 2.862 2.689 3.027 0.027 7 0 "[ . 1 .]" 1
50 1 3 GLU O 1 56 VAL H . . 2.000 2.016 1.825 2.117 0.117 5 0 "[ . 1 .]" 1
51 1 3 GLU O 1 56 VAL N . . 3.000 2.886 2.676 3.017 0.017 3 0 "[ . 1 .]" 1
52 1 4 VAL H 1 4 VAL HB . . 3.480 3.201 2.323 3.788 0.308 7 0 "[ . 1 .]" 1
53 1 4 VAL H 1 5 ASN H . . 5.500 3.271 1.851 4.521 . 0 0 "[ . 1 .]" 1
54 1 4 VAL HB 1 8 CYS HB3 . . 6.000 5.054 2.516 6.071 0.071 9 0 "[ . 1 .]" 1
55 1 4 VAL MG2 1 5 ASN HB3 . . 6.530 5.119 4.569 5.433 . 0 0 "[ . 1 .]" 1
56 1 4 VAL MG2 1 32 VAL HA . . 5.540 4.497 4.306 4.673 . 0 0 "[ . 1 .]" 1
57 1 4 VAL MG2 1 55 ILE H . . 6.530 4.930 3.907 5.672 . 0 0 "[ . 1 .]" 1
58 1 5 ASN H 1 5 ASN HB3 . . 4.040 3.734 2.834 4.106 0.066 5 0 "[ . 1 .]" 1
59 1 5 ASN H 1 5 ASN HD21 . . 5.500 4.743 2.667 5.422 . 0 0 "[ . 1 .]" 1
60 1 5 ASN H 1 5 ASN HD22 . . 5.500 4.920 3.312 5.531 0.031 9 0 "[ . 1 .]" 1
61 1 5 ASN H 1 6 ASP H . . 5.220 4.470 4.145 4.653 . 0 0 "[ . 1 .]" 1
62 1 5 ASN H 1 56 VAL MG2 . . 6.530 4.585 3.781 5.387 . 0 0 "[ . 1 .]" 1
63 1 5 ASN HA 1 5 ASN HB2 . . 2.790 2.965 2.698 3.065 0.275 2 0 "[ . 1 .]" 1
64 1 5 ASN HA 1 5 ASN HB3 . . 2.760 2.542 2.311 3.015 0.255 9 0 "[ . 1 .]" 1
65 1 5 ASN HA 1 6 ASP H . . 3.520 2.848 2.799 3.098 . 0 0 "[ . 1 .]" 1
66 1 5 ASN HA 1 6 ASP HB3 . . 5.070 5.018 4.876 5.198 0.128 8 0 "[ . 1 .]" 1
67 1 5 ASN HA 1 8 CYS HB3 . . 6.000 5.491 5.066 6.040 0.040 3 0 "[ . 1 .]" 1
68 1 5 ASN HB2 1 6 ASP H . . 3.020 2.821 1.869 3.338 0.318 9 0 "[ . 1 .]" 1
69 1 5 ASN HB2 1 7 ASP H . . 4.600 3.098 1.944 4.480 . 0 0 "[ . 1 .]" 1
70 1 5 ASN HB3 1 6 ASP H . . 3.020 2.168 1.808 3.229 0.209 8 0 "[ . 1 .]" 1
71 1 5 ASN HD21 1 6 ASP H . . 5.500 4.217 3.497 4.747 . 0 0 "[ . 1 .]" 1
72 1 5 ASN HD21 1 7 ASP H . . 5.500 4.106 2.956 5.335 . 0 0 "[ . 1 .]" 1
73 1 5 ASN HD21 1 7 ASP HB2 . . 5.500 3.673 3.185 5.499 . 0 0 "[ . 1 .]" 1
74 1 5 ASN HD21 1 56 VAL MG1 . . 6.530 5.012 4.415 5.336 . 0 0 "[ . 1 .]" 1
75 1 5 ASN HD22 1 6 ASP H . . 5.500 5.295 4.323 5.669 0.169 15 0 "[ . 1 .]" 1
76 1 5 ASN HD22 1 7 ASP H . . 5.500 5.349 4.505 5.622 0.122 6 0 "[ . 1 .]" 1
77 1 5 ASN HD22 1 7 ASP HB2 . . 5.500 4.906 3.832 5.497 . 0 0 "[ . 1 .]" 1
78 1 5 ASN HD22 1 56 VAL MG1 . . 6.530 4.062 3.302 5.362 . 0 0 "[ . 1 .]" 1
79 1 6 ASP H 1 6 ASP HB2 . . 3.020 2.937 2.758 3.375 0.355 15 0 "[ . 1 .]" 1
80 1 6 ASP H 1 6 ASP HB3 . . 3.240 2.598 2.148 3.475 0.235 15 0 "[ . 1 .]" 1
81 1 6 ASP H 1 7 ASP H . . 3.450 2.027 1.794 2.424 . 0 0 "[ . 1 .]" 1
82 1 6 ASP HA 1 6 ASP HB2 . . 2.710 2.527 2.347 2.803 0.093 15 0 "[ . 1 .]" 1
83 1 6 ASP HA 1 6 ASP HB3 . . 3.050 2.947 2.270 3.056 0.006 12 0 "[ . 1 .]" 1
84 1 6 ASP HA 1 8 CYS H . . 5.500 3.770 3.459 4.323 . 0 0 "[ . 1 .]" 1
85 1 6 ASP HA 1 8 CYS HB3 . . 5.000 4.172 3.804 4.900 . 0 0 "[ . 1 .]" 1
86 1 6 ASP HB2 1 7 ASP H . . 4.480 4.005 3.344 4.520 0.040 7 0 "[ . 1 .]" 1
87 1 7 ASP H 1 7 ASP HB2 . . 3.330 2.231 2.007 2.640 . 0 0 "[ . 1 .]" 1
88 1 7 ASP H 1 7 ASP HB3 . . 3.730 3.287 2.752 3.579 . 0 0 "[ . 1 .]" 1
89 1 7 ASP H 1 8 CYS H . . 3.920 2.611 2.138 2.981 . 0 0 "[ . 1 .]" 1
90 1 7 ASP HB2 1 8 CYS H . . 5.500 3.225 2.795 3.794 . 0 0 "[ . 1 .]" 1
91 1 12 GLU O 1 16 GLU H . . 2.000 1.982 1.887 2.040 0.040 5 0 "[ . 1 .]" 1
92 1 12 GLU O 1 16 GLU N . . 3.000 2.727 2.682 2.761 . 0 0 "[ . 1 .]" 1
93 1 14 CYS HA 1 17 ILE HB . . 5.000 3.393 2.819 4.252 . 0 0 "[ . 1 .]" 1
94 1 14 CYS HA 1 17 ILE MD . . 7.000 5.122 4.479 5.747 . 0 0 "[ . 1 .]" 1
95 1 14 CYS HA 1 17 ILE MG . . 7.000 2.260 1.867 2.884 . 0 0 "[ . 1 .]" 1
96 1 14 CYS HA 1 18 CYS QB . . 7.000 4.582 4.272 4.789 . 0 0 "[ . 1 .]" 1
97 1 14 CYS HA 1 46 ALA HA . . 5.000 2.686 1.961 3.222 . 0 0 "[ . 1 .]" 1
98 1 14 CYS HA 1 46 ALA MB . . 5.000 2.610 2.113 3.021 . 0 0 "[ . 1 .]" 1
99 1 14 CYS HB2 1 18 CYS QB . . 5.000 4.495 4.145 4.721 . 0 0 "[ . 1 .]" 1
100 1 14 CYS HB2 1 22 PHE HB2 . . 5.000 3.650 2.840 4.229 . 0 0 "[ . 1 .]" 1
101 1 14 CYS HB2 1 22 PHE HB3 . . 5.000 4.196 3.542 4.879 . 0 0 "[ . 1 .]" 1
102 1 14 CYS HB2 1 22 PHE HD2 . . 3.000 2.830 2.146 3.114 0.114 2 0 "[ . 1 .]" 1
103 1 14 CYS HB2 1 22 PHE HE2 . . 5.000 3.608 3.421 4.053 . 0 0 "[ . 1 .]" 1
104 1 14 CYS HB2 1 22 PHE HZ . . 5.000 4.998 4.795 5.151 0.151 2 0 "[ . 1 .]" 1
105 1 14 CYS HB2 1 46 ALA HA . . 5.000 3.979 3.150 5.043 0.043 3 0 "[ . 1 .]" 1
106 1 14 CYS HB2 1 46 ALA MB . . 5.000 2.259 1.775 3.383 . 0 0 "[ . 1 .]" 1
107 1 14 CYS HB3 1 46 ALA MB . . 5.000 2.734 1.814 3.293 . 0 0 "[ . 1 .]" 1
108 1 14 CYS O 1 18 CYS H . . 2.000 1.792 1.698 1.906 . 0 0 "[ . 1 .]" 1
109 1 14 CYS O 1 18 CYS N . . 3.000 2.723 2.560 2.858 . 0 0 "[ . 1 .]" 1
110 1 15 VAL HA 1 19 PRO HA . . 3.450 2.799 2.564 3.098 . 0 0 "[ . 1 .]" 1
111 1 15 VAL HA 1 22 PHE H . . 3.730 3.762 3.429 3.931 0.201 4 0 "[ . 1 .]" 1
112 1 15 VAL HA 1 22 PHE HA . . 5.500 5.103 4.772 5.375 . 0 0 "[ . 1 .]" 1
113 1 15 VAL MG1 1 19 PRO HA . . 5.720 2.753 2.190 4.108 . 0 0 "[ . 1 .]" 1
114 1 15 VAL MG1 1 23 GLU H . . 6.190 4.140 2.730 4.741 . 0 0 "[ . 1 .]" 1
115 1 15 VAL MG2 1 19 PRO HA . . 6.530 3.885 3.693 4.199 . 0 0 "[ . 1 .]" 1
116 1 15 VAL MG2 1 22 PHE H . . 6.530 4.250 3.841 5.541 . 0 0 "[ . 1 .]" 1
117 1 15 VAL MG2 1 23 GLU H . . 6.120 3.677 3.182 5.099 . 0 0 "[ . 1 .]" 1
118 1 16 GLU H 1 16 GLU HB2 . . 4.260 2.146 2.025 2.324 . 0 0 "[ . 1 .]" 1
119 1 16 GLU H 1 17 ILE H . . 3.950 2.609 2.384 3.233 . 0 0 "[ . 1 .]" 1
120 1 16 GLU H 1 17 ILE HB . . 6.000 4.322 4.166 4.626 . 0 0 "[ . 1 .]" 1
121 1 16 GLU H 1 17 ILE QG . . 6.880 5.782 5.544 6.079 . 0 0 "[ . 1 .]" 1
122 1 16 GLU H 1 17 ILE MG . . 7.030 4.265 3.383 4.697 . 0 0 "[ . 1 .]" 1
123 1 16 GLU H 1 18 CYS H . . 5.220 4.067 3.853 4.306 . 0 0 "[ . 1 .]" 1
124 1 16 GLU HA 1 16 GLU HG2 . . 3.980 2.797 2.035 3.551 . 0 0 "[ . 1 .]" 1
125 1 16 GLU HA 1 17 ILE HB . . 6.000 5.271 4.662 5.479 . 0 0 "[ . 1 .]" 1
126 1 16 GLU HA 1 17 ILE QG . . 6.880 6.056 5.611 6.207 . 0 0 "[ . 1 .]" 1
127 1 16 GLU HA 1 17 ILE MG . . 7.030 5.321 4.672 5.627 . 0 0 "[ . 1 .]" 1
128 1 16 GLU HA 1 18 CYS H . . 5.500 4.616 4.347 4.835 . 0 0 "[ . 1 .]" 1
129 1 16 GLU HB2 1 17 ILE H . . 4.260 3.843 3.356 4.387 0.127 4 0 "[ . 1 .]" 1
130 1 16 GLU HB2 1 17 ILE MG . . 7.530 5.349 4.408 5.897 . 0 0 "[ . 1 .]" 1
131 1 16 GLU HB3 1 17 ILE H . . 4.390 3.774 3.227 4.461 0.071 4 0 "[ . 1 .]" 1
132 1 16 GLU HB3 1 17 ILE QG . . 7.380 5.001 4.545 5.848 . 0 0 "[ . 1 .]" 1
133 1 16 GLU HG2 1 17 ILE H . . 6.000 5.277 4.796 5.943 . 0 0 "[ . 1 .]" 1
134 1 17 ILE H 1 17 ILE HB . . 3.740 2.617 2.176 3.331 . 0 0 "[ . 1 .]" 1
135 1 17 ILE H 1 17 ILE MG . . 3.950 2.608 2.314 2.917 . 0 0 "[ . 1 .]" 1
136 1 17 ILE H 1 18 CYS H . . 3.270 2.061 1.842 2.291 . 0 0 "[ . 1 .]" 1
137 1 17 ILE H 1 18 CYS HA . . 5.500 4.559 4.065 4.874 . 0 0 "[ . 1 .]" 1
138 1 17 ILE H 1 18 CYS QB . . 5.190 4.333 4.119 4.489 . 0 0 "[ . 1 .]" 1
139 1 17 ILE HA 1 17 ILE MD . . 4.490 2.330 1.936 3.092 . 0 0 "[ . 1 .]" 1
140 1 17 ILE HB 1 18 CYS H . . 3.890 3.665 3.410 3.944 0.054 3 0 "[ . 1 .]" 1
141 1 17 ILE HB 1 18 CYS HA . . 5.710 5.753 5.617 5.860 0.150 8 0 "[ . 1 .]" 1
142 1 17 ILE HB 1 18 CYS QB . . 6.000 4.790 4.619 5.048 . 0 0 "[ . 1 .]" 1
143 1 17 ILE HB 1 46 ALA HA . . 6.000 3.921 3.109 4.799 . 0 0 "[ . 1 .]" 1
144 1 17 ILE HB 1 46 ALA MB . . 7.030 4.271 3.606 4.780 . 0 0 "[ . 1 .]" 1
145 1 17 ILE MD 1 18 CYS H . . 6.590 3.846 2.979 4.155 . 0 0 "[ . 1 .]" 1
146 1 17 ILE MD 1 18 CYS HA . . 6.250 3.910 3.183 4.240 . 0 0 "[ . 1 .]" 1
147 1 17 ILE MD 1 18 CYS QB . . 5.290 3.230 2.027 3.852 . 0 0 "[ . 1 .]" 1
148 1 17 ILE MD 1 42 CYS HB3 . . 5.510 3.971 3.163 4.571 . 0 0 "[ . 1 .]" 1
149 1 17 ILE MD 1 45 GLU H . . 7.030 4.585 4.225 5.312 . 0 0 "[ . 1 .]" 1
150 1 17 ILE MD 1 45 GLU HA . . 7.030 4.870 4.299 5.745 . 0 0 "[ . 1 .]" 1
151 1 17 ILE MD 1 45 GLU HG2 . . 7.530 3.326 2.989 3.813 . 0 0 "[ . 1 .]" 1
152 1 17 ILE QG 1 18 CYS H . . 6.880 4.611 4.314 4.765 . 0 0 "[ . 1 .]" 1
153 1 17 ILE QG 1 18 CYS HA . . 6.880 5.625 4.959 5.855 . 0 0 "[ . 1 .]" 1
154 1 17 ILE QG 1 42 CYS HA . . 5.750 5.082 4.977 5.185 . 0 0 "[ . 1 .]" 1
155 1 17 ILE QG 1 45 GLU HB3 . . 7.380 4.141 2.204 5.163 . 0 0 "[ . 1 .]" 1
156 1 17 ILE MG 1 18 CYS H . . 5.720 2.079 1.872 2.314 . 0 0 "[ . 1 .]" 1
157 1 17 ILE MG 1 18 CYS QB . . 5.530 2.233 2.033 2.478 . 0 0 "[ . 1 .]" 1
158 1 17 ILE MG 1 45 GLU H . . 6.000 4.417 3.403 5.448 . 0 0 "[ . 1 .]" 1
159 1 17 ILE MG 1 45 GLU HA . . 6.000 4.757 3.996 5.571 . 0 0 "[ . 1 .]" 1
160 1 17 ILE MG 1 45 GLU HG2 . . 6.500 3.688 2.817 5.193 . 0 0 "[ . 1 .]" 1
161 1 17 ILE MG 1 45 GLU HG3 . . 4.240 2.659 1.865 3.751 . 0 0 "[ . 1 .]" 1
162 1 18 CYS H 1 18 CYS QB . . 3.480 2.676 2.541 2.853 . 0 0 "[ . 1 .]" 1
163 1 18 CYS H 1 19 PRO HA . . 5.500 4.244 4.095 4.404 . 0 0 "[ . 1 .]" 1
164 1 18 CYS H 1 19 PRO HD2 . . 4.760 4.177 4.033 4.373 . 0 0 "[ . 1 .]" 1
165 1 18 CYS H 1 19 PRO HD3 . . 4.940 2.996 2.811 3.266 . 0 0 "[ . 1 .]" 1
166 1 18 CYS H 1 22 PHE HD2 . . 5.500 3.758 3.522 4.039 . 0 0 "[ . 1 .]" 1
167 1 18 CYS H 1 22 PHE HE2 . . 5.500 5.272 4.923 5.520 0.020 7 0 "[ . 1 .]" 1
168 1 18 CYS H 1 46 ALA MB . . 6.530 3.810 3.248 4.303 . 0 0 "[ . 1 .]" 1
169 1 18 CYS HA 1 18 CYS QB . . 2.770 2.481 2.438 2.516 . 0 0 "[ . 1 .]" 1
170 1 18 CYS HA 1 19 PRO HA . . 4.760 4.540 4.511 4.573 . 0 0 "[ . 1 .]" 1
171 1 18 CYS HA 1 19 PRO HD2 . . 3.270 2.297 2.244 2.373 . 0 0 "[ . 1 .]" 1
172 1 18 CYS HA 1 19 PRO HD3 . . 2.870 2.503 2.384 2.645 . 0 0 "[ . 1 .]" 1
173 1 18 CYS HA 1 19 PRO HG2 . . 4.450 4.524 4.462 4.607 0.157 4 0 "[ . 1 .]" 1
174 1 18 CYS HA 1 20 ASP H . . 3.700 3.043 2.978 3.113 . 0 0 "[ . 1 .]" 1
175 1 18 CYS HA 1 21 VAL H . . 5.500 4.165 4.010 4.291 . 0 0 "[ . 1 .]" 1
176 1 18 CYS HA 1 21 VAL MG2 . . 6.530 4.357 4.023 4.758 . 0 0 "[ . 1 .]" 1
177 1 18 CYS HA 1 22 PHE HD2 . . 5.500 5.094 4.753 5.406 . 0 0 "[ . 1 .]" 1
178 1 18 CYS HA 1 42 CYS HB3 . . 5.380 4.348 3.360 4.869 . 0 0 "[ . 1 .]" 1
179 1 18 CYS HA 1 45 GLU HG3 . . 6.000 6.081 6.010 6.148 0.148 2 0 "[ . 1 .]" 1
180 1 18 CYS HA 1 46 ALA MB . . 6.530 5.059 4.488 5.402 . 0 0 "[ . 1 .]" 1
181 1 18 CYS QB 1 21 VAL H . . 4.850 3.263 3.020 3.643 . 0 0 "[ . 1 .]" 1
182 1 18 CYS QB 1 21 VAL HB . . 5.500 2.477 2.265 2.738 . 0 0 "[ . 1 .]" 1
183 1 18 CYS QB 1 22 PHE HD2 . . 3.730 2.499 2.170 2.953 . 0 0 "[ . 1 .]" 1
184 1 18 CYS QB 1 22 PHE HE2 . . 5.500 3.026 2.578 3.515 . 0 0 "[ . 1 .]" 1
185 1 18 CYS QB 1 42 CYS HB3 . . 3.950 3.318 2.035 3.898 . 0 0 "[ . 1 .]" 1
186 1 18 CYS QB 1 43 VAL H . . 5.500 4.752 3.976 5.143 . 0 0 "[ . 1 .]" 1
187 1 18 CYS QB 1 46 ALA MB . . 6.250 2.719 2.102 2.990 . 0 0 "[ . 1 .]" 1
188 1 18 CYS O 1 21 VAL H . . 2.000 2.120 2.078 2.142 0.142 15 0 "[ . 1 .]" 1
189 1 18 CYS O 1 21 VAL N . . 3.000 3.093 3.061 3.111 0.111 15 0 "[ . 1 .]" 1
190 1 18 CYS O 1 22 PHE H . . 2.000 2.034 1.925 2.116 0.116 13 0 "[ . 1 .]" 1
191 1 18 CYS O 1 22 PHE N . . 3.000 2.952 2.886 3.042 0.042 13 0 "[ . 1 .]" 1
192 1 18 CYS SG 1 42 CYS SG . . 1.990 1.975 1.889 2.080 0.090 1 0 "[ . 1 .]" 1
193 1 19 PRO HA 1 21 VAL H . . 4.200 3.564 3.355 3.660 . 0 0 "[ . 1 .]" 1
194 1 19 PRO HA 1 22 PHE H . . 3.700 3.100 3.013 3.281 . 0 0 "[ . 1 .]" 1
195 1 19 PRO HA 1 22 PHE HB2 . . 4.570 4.010 3.713 4.526 . 0 0 "[ . 1 .]" 1
196 1 19 PRO HA 1 34 ILE MD . . 6.530 3.366 2.998 3.885 . 0 0 "[ . 1 .]" 1
197 1 19 PRO HD2 1 20 ASP H . . 4.320 2.797 2.726 2.903 . 0 0 "[ . 1 .]" 1
198 1 19 PRO HG2 1 20 ASP H . . 4.010 3.958 3.879 4.073 0.063 6 0 "[ . 1 .]" 1
199 1 20 ASP H 1 20 ASP HB3 . . 3.270 2.926 2.698 3.196 . 0 0 "[ . 1 .]" 1
200 1 20 ASP H 1 21 VAL H . . 3.270 2.109 2.014 2.262 . 0 0 "[ . 1 .]" 1
201 1 20 ASP H 1 21 VAL HB . . 5.340 4.182 4.003 4.318 . 0 0 "[ . 1 .]" 1
202 1 20 ASP H 1 21 VAL MG1 . . 6.530 5.360 5.250 5.416 . 0 0 "[ . 1 .]" 1
203 1 20 ASP H 1 21 VAL MG2 . . 5.750 3.495 3.242 3.925 . 0 0 "[ . 1 .]" 1
204 1 20 ASP H 1 22 PHE H . . 4.040 3.485 3.348 3.717 . 0 0 "[ . 1 .]" 1
205 1 20 ASP HA 1 21 VAL MG2 . . 6.530 4.448 4.301 4.634 . 0 0 "[ . 1 .]" 1
206 1 20 ASP HA 1 34 ILE MD . . 5.970 2.506 2.016 2.980 . 0 0 "[ . 1 .]" 1
207 1 20 ASP HB3 1 21 VAL H . . 5.160 3.449 3.282 3.813 . 0 0 "[ . 1 .]" 1
208 1 20 ASP HB3 1 21 VAL MG2 . . 5.660 2.693 2.557 2.922 . 0 0 "[ . 1 .]" 1
209 1 20 ASP HB3 1 34 ILE MD . . 6.530 4.613 4.354 4.949 . 0 0 "[ . 1 .]" 1
210 1 20 ASP HB3 1 40 LEU MD1 . . 7.030 3.998 2.453 5.479 . 0 0 "[ . 1 .]" 1
211 1 20 ASP HB3 1 40 LEU MD2 . . 5.690 3.872 2.490 4.786 . 0 0 "[ . 1 .]" 1
212 1 20 ASP HB3 1 40 LEU HG . . 6.000 5.620 3.667 6.128 0.128 11 0 "[ . 1 .]" 1
213 1 21 VAL H 1 21 VAL HB . . 3.300 2.506 2.416 2.638 . 0 0 "[ . 1 .]" 1
214 1 21 VAL H 1 22 PHE H . . 2.770 1.863 1.821 1.929 . 0 0 "[ . 1 .]" 1
215 1 21 VAL H 1 22 PHE HA . . 5.280 4.539 4.426 4.605 . 0 0 "[ . 1 .]" 1
216 1 21 VAL H 1 22 PHE HD2 . . 5.500 4.111 3.986 4.285 . 0 0 "[ . 1 .]" 1
217 1 21 VAL H 1 22 PHE HE2 . . 5.500 5.403 5.200 5.559 0.059 6 0 "[ . 1 .]" 1
218 1 21 VAL HA 1 21 VAL MG2 . . 3.610 2.384 2.175 2.490 . 0 0 "[ . 1 .]" 1
219 1 21 VAL HA 1 22 PHE H . . 3.390 3.543 3.488 3.589 0.199 4 0 "[ . 1 .]" 1
220 1 21 VAL HA 1 22 PHE HA . . 5.250 4.500 4.482 4.515 . 0 0 "[ . 1 .]" 1
221 1 21 VAL HA 1 22 PHE HD2 . . 5.500 5.543 5.307 5.667 0.167 10 0 "[ . 1 .]" 1
222 1 21 VAL HA 1 33 VAL HA . . 5.500 5.065 4.736 5.276 . 0 0 "[ . 1 .]" 1
223 1 21 VAL HA 1 33 VAL MG1 . . 6.530 4.077 3.804 4.344 . 0 0 "[ . 1 .]" 1
224 1 21 VAL HA 1 34 ILE H . . 4.070 3.416 3.109 3.581 . 0 0 "[ . 1 .]" 1
225 1 21 VAL HA 1 34 ILE HB . . 3.920 3.902 3.474 4.032 0.112 11 0 "[ . 1 .]" 1
226 1 21 VAL HA 1 34 ILE MD . . 6.090 3.740 3.584 4.127 . 0 0 "[ . 1 .]" 1
227 1 21 VAL HA 1 35 ASN H . . 3.480 2.469 2.206 2.830 . 0 0 "[ . 1 .]" 1
228 1 21 VAL HA 1 35 ASN HA . . 5.000 4.308 4.051 4.651 . 0 0 "[ . 1 .]" 1
229 1 21 VAL HA 1 35 ASN HD21 . . 6.000 3.727 3.451 4.128 . 0 0 "[ . 1 .]" 1
230 1 21 VAL HA 1 35 ASN HD22 . . 6.000 5.271 4.997 5.614 . 0 0 "[ . 1 .]" 1
231 1 21 VAL HA 1 43 VAL QG . . 7.620 5.019 4.468 5.503 . 0 0 "[ . 1 .]" 1
232 1 21 VAL HB 1 22 PHE H . . 3.480 2.974 2.746 3.186 . 0 0 "[ . 1 .]" 1
233 1 21 VAL HB 1 22 PHE HB2 . . 5.470 4.467 4.292 4.595 . 0 0 "[ . 1 .]" 1
234 1 21 VAL HB 1 22 PHE HD2 . . 4.790 3.109 2.795 3.296 . 0 0 "[ . 1 .]" 1
235 1 21 VAL HB 1 22 PHE HE2 . . 5.100 3.272 3.094 3.452 . 0 0 "[ . 1 .]" 1
236 1 21 VAL HB 1 22 PHE HZ . . 5.500 4.352 4.015 4.665 . 0 0 "[ . 1 .]" 1
237 1 21 VAL HB 1 33 VAL MG1 . . 6.530 5.273 5.030 5.383 . 0 0 "[ . 1 .]" 1
238 1 21 VAL HB 1 34 ILE MD . . 6.530 5.010 4.642 5.324 . 0 0 "[ . 1 .]" 1
239 1 21 VAL HB 1 43 VAL QG . . 7.620 3.560 2.878 4.078 . 0 0 "[ . 1 .]" 1
240 1 21 VAL MG1 1 22 PHE H . . 6.030 3.750 3.580 3.875 . 0 0 "[ . 1 .]" 1
241 1 21 VAL MG1 1 22 PHE HB2 . . 6.530 4.590 4.316 4.789 . 0 0 "[ . 1 .]" 1
242 1 21 VAL MG1 1 22 PHE HD2 . . 6.500 3.652 3.321 3.962 . 0 0 "[ . 1 .]" 1
243 1 21 VAL MG1 1 22 PHE HE2 . . 5.880 3.002 2.512 3.388 . 0 0 "[ . 1 .]" 1
244 1 21 VAL MG1 1 22 PHE HZ . . 6.250 2.650 2.310 2.899 . 0 0 "[ . 1 .]" 1
245 1 21 VAL MG1 1 33 VAL HA . . 5.630 4.273 3.966 4.573 . 0 0 "[ . 1 .]" 1
246 1 21 VAL MG1 1 33 VAL MG1 . . 6.940 3.022 2.810 3.238 . 0 0 "[ . 1 .]" 1
247 1 21 VAL MG1 1 34 ILE H . . 6.310 3.831 3.719 4.003 . 0 0 "[ . 1 .]" 1
248 1 21 VAL MG1 1 34 ILE MD . . 7.560 4.854 4.661 5.131 . 0 0 "[ . 1 .]" 1
249 1 21 VAL MG1 1 35 ASN H . . 5.130 3.128 2.759 3.391 . 0 0 "[ . 1 .]" 1
250 1 21 VAL MG1 1 35 ASN HA . . 6.530 4.676 4.287 4.898 . 0 0 "[ . 1 .]" 1
251 1 21 VAL MG1 1 35 ASN HB2 . . 6.100 3.364 3.026 3.760 . 0 0 "[ . 1 .]" 1
252 1 21 VAL MG1 1 35 ASN HB3 . . 6.810 2.306 2.007 2.627 . 0 0 "[ . 1 .]" 1
253 1 21 VAL MG1 1 35 ASN HD21 . . 7.030 4.424 3.841 4.917 . 0 0 "[ . 1 .]" 1
254 1 21 VAL MG1 1 35 ASN HD22 . . 7.030 5.391 4.836 5.735 . 0 0 "[ . 1 .]" 1
255 1 21 VAL MG1 1 38 SER H . . 5.970 3.546 3.100 4.014 . 0 0 "[ . 1 .]" 1
256 1 21 VAL MG1 1 38 SER HA . . 6.340 4.438 3.444 5.171 . 0 0 "[ . 1 .]" 1
257 1 21 VAL MG1 1 38 SER HB2 . . 5.350 2.315 1.791 2.837 . 0 0 "[ . 1 .]" 1
258 1 21 VAL MG1 1 38 SER HB3 . . 6.160 3.076 2.204 3.718 . 0 0 "[ . 1 .]" 1
259 1 21 VAL MG1 1 40 LEU H . . 6.530 5.056 4.619 5.308 . 0 0 "[ . 1 .]" 1
260 1 21 VAL MG1 1 40 LEU HG . . 7.030 5.060 4.656 5.490 . 0 0 "[ . 1 .]" 1
261 1 21 VAL MG1 1 43 VAL HA . . 6.530 3.993 3.608 4.383 . 0 0 "[ . 1 .]" 1
262 1 21 VAL MG1 1 43 VAL HB . . 6.530 4.810 4.240 5.259 . 0 0 "[ . 1 .]" 1
263 1 21 VAL MG1 1 43 VAL QG . . 8.310 2.199 1.849 2.626 . 0 0 "[ . 1 .]" 1
264 1 21 VAL MG2 1 22 PHE H . . 5.660 3.964 3.805 4.141 . 0 0 "[ . 1 .]" 1
265 1 21 VAL MG2 1 22 PHE HD2 . . 6.530 4.578 4.308 4.774 . 0 0 "[ . 1 .]" 1
266 1 21 VAL MG2 1 22 PHE HZ . . 6.530 4.767 4.432 5.166 . 0 0 "[ . 1 .]" 1
267 1 21 VAL MG2 1 35 ASN H . . 6.530 4.200 3.893 4.398 . 0 0 "[ . 1 .]" 1
268 1 21 VAL MG2 1 35 ASN HA . . 6.530 4.970 4.586 5.268 . 0 0 "[ . 1 .]" 1
269 1 21 VAL MG2 1 35 ASN HB2 . . 6.100 2.842 2.356 3.309 . 0 0 "[ . 1 .]" 1
270 1 21 VAL MG2 1 35 ASN HB3 . . 6.780 2.513 1.971 2.893 . 0 0 "[ . 1 .]" 1
271 1 21 VAL MG2 1 35 ASN HD21 . . 7.030 2.836 2.219 3.646 . 0 0 "[ . 1 .]" 1
272 1 21 VAL MG2 1 35 ASN HD22 . . 7.030 4.018 3.505 4.559 . 0 0 "[ . 1 .]" 1
273 1 21 VAL MG2 1 38 SER H . . 6.280 4.134 3.714 4.718 . 0 0 "[ . 1 .]" 1
274 1 21 VAL MG2 1 38 SER HA . . 5.290 3.666 2.683 4.260 . 0 0 "[ . 1 .]" 1
275 1 21 VAL MG2 1 38 SER HB2 . . 4.820 2.211 1.821 2.958 . 0 0 "[ . 1 .]" 1
276 1 21 VAL MG2 1 39 ASP H . . 6.530 4.171 3.452 4.793 . 0 0 "[ . 1 .]" 1
277 1 21 VAL MG2 1 40 LEU QB . . 7.900 4.012 3.024 4.928 . 0 0 "[ . 1 .]" 1
278 1 21 VAL O 1 34 ILE H . . 2.000 1.995 1.772 2.068 0.068 8 0 "[ . 1 .]" 1
279 1 21 VAL O 1 34 ILE N . . 3.000 2.965 2.762 3.024 0.024 8 0 "[ . 1 .]" 1
280 1 22 PHE H 1 22 PHE HB2 . . 3.640 2.745 2.651 2.888 . 0 0 "[ . 1 .]" 1
281 1 22 PHE H 1 22 PHE HD2 . . 4.600 3.223 3.027 3.438 . 0 0 "[ . 1 .]" 1
282 1 22 PHE H 1 22 PHE HE2 . . 5.500 5.087 4.888 5.307 . 0 0 "[ . 1 .]" 1
283 1 22 PHE H 1 23 GLU H . . 4.600 4.251 4.153 4.369 . 0 0 "[ . 1 .]" 1
284 1 22 PHE H 1 34 ILE H . . 5.500 4.488 3.987 4.778 . 0 0 "[ . 1 .]" 1
285 1 22 PHE H 1 34 ILE MD . . 6.530 2.915 2.409 3.502 . 0 0 "[ . 1 .]" 1
286 1 22 PHE HA 1 22 PHE HD1 . . 5.030 2.723 2.615 2.789 . 0 0 "[ . 1 .]" 1
287 1 22 PHE HA 1 23 GLU H . . 2.800 2.210 2.193 2.270 . 0 0 "[ . 1 .]" 1
288 1 22 PHE HA 1 23 GLU HB2 . . 5.160 4.923 4.705 5.117 . 0 0 "[ . 1 .]" 1
289 1 22 PHE HA 1 23 GLU HB3 . . 4.170 4.271 4.183 4.327 0.157 7 0 "[ . 1 .]" 1
290 1 22 PHE HA 1 33 VAL H . . 5.500 4.883 4.625 5.069 . 0 0 "[ . 1 .]" 1
291 1 22 PHE HA 1 33 VAL HA . . 3.520 2.415 1.991 2.621 . 0 0 "[ . 1 .]" 1
292 1 22 PHE HA 1 33 VAL MG1 . . 6.530 3.984 3.609 4.152 . 0 0 "[ . 1 .]" 1
293 1 22 PHE HA 1 34 ILE H . . 3.640 3.011 2.454 3.275 . 0 0 "[ . 1 .]" 1
294 1 22 PHE HA 1 34 ILE HB . . 5.500 5.174 4.961 5.443 . 0 0 "[ . 1 .]" 1
295 1 22 PHE HA 1 34 ILE MD . . 6.530 3.369 3.154 3.634 . 0 0 "[ . 1 .]" 1
296 1 22 PHE HA 1 34 ILE MG . . 6.530 4.867 4.669 5.115 . 0 0 "[ . 1 .]" 1
297 1 22 PHE HA 1 35 ASN H . . 4.940 4.460 4.125 4.652 . 0 0 "[ . 1 .]" 1
298 1 22 PHE HB3 1 33 VAL HA . . 5.500 4.126 3.701 4.358 . 0 0 "[ . 1 .]" 1
299 1 22 PHE HB3 1 33 VAL MG1 . . 6.530 5.317 4.983 5.443 . 0 0 "[ . 1 .]" 1
300 1 22 PHE HD1 1 23 GLU H . . 5.500 4.534 4.259 4.713 . 0 0 "[ . 1 .]" 1
301 1 22 PHE HD1 1 33 VAL H . . 5.500 4.951 4.616 5.235 . 0 0 "[ . 1 .]" 1
302 1 22 PHE HD1 1 33 VAL HA . . 5.500 2.791 2.369 3.004 . 0 0 "[ . 1 .]" 1
303 1 22 PHE HD1 1 33 VAL MG1 . . 6.530 3.328 2.922 3.584 . 0 0 "[ . 1 .]" 1
304 1 22 PHE HD1 1 33 VAL MG2 . . 5.570 2.383 1.909 2.964 . 0 0 "[ . 1 .]" 1
305 1 22 PHE HD1 1 34 ILE H . . 5.500 4.287 3.968 4.535 . 0 0 "[ . 1 .]" 1
306 1 22 PHE HD2 1 43 VAL QG . . 7.620 4.666 3.958 4.944 . 0 0 "[ . 1 .]" 1
307 1 22 PHE HD2 1 46 ALA MB . . 6.530 2.992 2.640 3.370 . 0 0 "[ . 1 .]" 1
308 1 22 PHE HE1 1 33 VAL MG1 . . 6.530 3.269 2.629 3.600 . 0 0 "[ . 1 .]" 1
309 1 22 PHE HE1 1 34 ILE H . . 5.500 5.585 5.516 5.720 0.220 12 0 "[ . 1 .]" 1
310 1 22 PHE HE2 1 43 VAL H . . 5.500 5.051 4.552 5.534 0.034 13 0 "[ . 1 .]" 1
311 1 22 PHE HE2 1 43 VAL HA . . 3.610 2.714 2.495 2.959 . 0 0 "[ . 1 .]" 1
312 1 22 PHE HE2 1 43 VAL HB . . 5.500 5.348 4.626 5.599 0.099 2 0 "[ . 1 .]" 1
313 1 22 PHE HE2 1 43 VAL QG . . 7.130 2.927 2.150 3.151 . 0 0 "[ . 1 .]" 1
314 1 22 PHE HE2 1 46 ALA H . . 5.500 4.544 4.094 4.855 . 0 0 "[ . 1 .]" 1
315 1 22 PHE HE2 1 46 ALA MB . . 5.660 2.147 1.885 2.518 . 0 0 "[ . 1 .]" 1
316 1 22 PHE HZ 1 33 VAL MG1 . . 6.530 4.965 4.402 5.260 . 0 0 "[ . 1 .]" 1
317 1 22 PHE HZ 1 43 VAL HA . . 5.500 3.510 2.770 4.345 . 0 0 "[ . 1 .]" 1
318 1 22 PHE HZ 1 43 VAL QG . . 7.620 2.398 1.968 2.888 . 0 0 "[ . 1 .]" 1
319 1 22 PHE HZ 1 46 ALA MB . . 6.530 3.556 3.144 4.025 . 0 0 "[ . 1 .]" 1
320 1 23 GLU H 1 23 GLU HB2 . . 3.450 3.527 3.440 3.606 0.156 6 0 "[ . 1 .]" 1
321 1 23 GLU H 1 23 GLU HB3 . . 2.770 2.613 2.432 2.795 0.025 2 0 "[ . 1 .]" 1
322 1 23 GLU H 1 32 VAL H . . 3.580 3.529 3.217 3.697 0.117 12 0 "[ . 1 .]" 1
323 1 23 GLU H 1 32 VAL QG . . 7.620 3.635 2.266 4.336 . 0 0 "[ . 1 .]" 1
324 1 23 GLU H 1 32 VAL O . . 2.000 1.894 1.758 1.988 . 0 0 "[ . 1 .]" 1
325 1 23 GLU H 1 33 VAL HA . . 4.140 3.476 3.191 3.647 . 0 0 "[ . 1 .]" 1
326 1 23 GLU H 1 34 ILE H . . 4.540 4.080 3.823 4.330 . 0 0 "[ . 1 .]" 1
327 1 23 GLU H 1 34 ILE MD . . 6.430 3.059 2.689 3.462 . 0 0 "[ . 1 .]" 1
328 1 23 GLU H 1 34 ILE QG . . 6.380 2.424 2.079 2.911 . 0 0 "[ . 1 .]" 1
329 1 23 GLU H 1 34 ILE MG . . 6.530 4.180 3.796 4.574 . 0 0 "[ . 1 .]" 1
330 1 23 GLU HA 1 23 GLU HB3 . . 2.800 2.994 2.939 3.024 0.224 9 0 "[ . 1 .]" 1
331 1 23 GLU HA 1 24 MET QG . . 5.630 3.529 3.259 3.757 . 0 0 "[ . 1 .]" 1
332 1 23 GLU HB2 1 34 ILE MD . . 5.410 2.034 1.813 2.378 . 0 0 "[ . 1 .]" 1
333 1 23 GLU HB2 1 34 ILE MG . . 6.220 3.711 3.200 4.268 . 0 0 "[ . 1 .]" 1
334 1 23 GLU HB3 1 34 ILE H . . 4.970 4.924 4.562 5.042 0.072 6 0 "[ . 1 .]" 1
335 1 23 GLU HB3 1 34 ILE MD . . 4.330 1.990 1.873 2.275 . 0 0 "[ . 1 .]" 1
336 1 23 GLU HB3 1 34 ILE MG . . 6.160 2.721 2.272 3.238 . 0 0 "[ . 1 .]" 1
337 1 23 GLU N 1 32 VAL O . . 3.000 2.789 2.709 2.878 . 0 0 "[ . 1 .]" 1
338 1 23 GLU O 1 32 VAL H . . 2.000 1.951 1.791 2.093 0.093 6 0 "[ . 1 .]" 1
339 1 23 GLU O 1 32 VAL N . . 3.000 2.756 2.563 2.881 . 0 0 "[ . 1 .]" 1
340 1 24 MET H 1 24 MET HB2 . . 2.960 2.853 2.625 3.148 0.188 6 0 "[ . 1 .]" 1
341 1 24 MET HA 1 24 MET HB2 . . 2.870 3.044 3.006 3.070 0.200 14 0 "[ . 1 .]" 1
342 1 24 MET HA 1 24 MET HB3 . . 2.960 2.413 2.342 2.534 . 0 0 "[ . 1 .]" 1
343 1 24 MET HA 1 25 ASN H . . 2.960 2.352 2.295 2.485 . 0 0 "[ . 1 .]" 1
344 1 24 MET HA 1 25 ASN HA . . 4.880 4.271 4.259 4.301 . 0 0 "[ . 1 .]" 1
345 1 24 MET HA 1 25 ASN HB2 . . 5.280 5.002 4.354 5.735 0.455 15 0 "[ . 1 .]" 1
346 1 24 MET HA 1 25 ASN HB3 . . 4.790 4.795 4.320 5.138 0.348 9 0 "[ . 1 .]" 1
347 1 24 MET HA 1 28 GLY H . . 5.500 4.788 3.987 5.297 . 0 0 "[ . 1 .]" 1
348 1 24 MET HA 1 30 LYS H . . 5.250 4.281 3.902 4.627 . 0 0 "[ . 1 .]" 1
349 1 24 MET HA 1 31 ALA HA . . 3.730 2.387 1.975 2.888 . 0 0 "[ . 1 .]" 1
350 1 24 MET HA 1 32 VAL H . . 4.010 3.017 2.748 3.279 . 0 0 "[ . 1 .]" 1
351 1 24 MET HA 1 32 VAL HB . . 5.500 4.660 3.945 5.056 . 0 0 "[ . 1 .]" 1
352 1 24 MET HA 1 32 VAL QG . . 7.620 4.029 3.511 4.400 . 0 0 "[ . 1 .]" 1
353 1 24 MET HB2 1 25 ASN H . . 3.580 3.678 3.560 3.826 0.246 10 0 "[ . 1 .]" 1
354 1 24 MET HB2 1 28 GLY H . . 3.890 4.017 3.718 4.143 0.253 4 0 "[ . 1 .]" 1
355 1 24 MET HB2 1 32 VAL H . . 5.500 5.526 5.279 5.668 0.168 5 0 "[ . 1 .]" 1
356 1 24 MET HB3 1 25 ASN H . . 3.480 2.948 2.511 3.213 . 0 0 "[ . 1 .]" 1
357 1 24 MET HB3 1 31 ALA HA . . 5.500 4.580 4.062 5.131 . 0 0 "[ . 1 .]" 1
358 1 24 MET QG 1 25 ASN H . . 6.380 4.343 3.929 4.547 . 0 0 "[ . 1 .]" 1
359 1 24 MET QG 1 28 GLY HA3 . . 6.380 3.997 3.173 5.021 . 0 0 "[ . 1 .]" 1
360 1 25 ASN H 1 25 ASN HB2 . . 3.450 2.856 2.193 3.609 0.159 3 0 "[ . 1 .]" 1
361 1 25 ASN H 1 25 ASN HB3 . . 3.360 2.586 2.330 2.801 . 0 0 "[ . 1 .]" 1
362 1 25 ASN H 1 25 ASN HD21 . . 5.500 4.745 4.590 4.835 . 0 0 "[ . 1 .]" 1
363 1 25 ASN H 1 26 GLU H . . 4.290 4.260 4.185 4.366 0.076 2 0 "[ . 1 .]" 1
364 1 25 ASN H 1 28 GLY H . . 4.820 3.084 2.235 3.739 . 0 0 "[ . 1 .]" 1
365 1 25 ASN H 1 28 GLY HA3 . . 5.500 4.229 3.511 4.935 . 0 0 "[ . 1 .]" 1
366 1 25 ASN H 1 30 LYS H . . 3.640 2.741 2.482 2.985 . 0 0 "[ . 1 .]" 1
367 1 25 ASN H 1 31 ALA HA . . 4.200 3.508 3.026 3.985 . 0 0 "[ . 1 .]" 1
368 1 25 ASN H 1 32 VAL H . . 4.660 3.424 2.980 3.939 . 0 0 "[ . 1 .]" 1
369 1 25 ASN H 1 32 VAL QG . . 6.910 3.262 2.776 3.960 . 0 0 "[ . 1 .]" 1
370 1 25 ASN HA 1 25 ASN HB2 . . 2.830 2.540 2.400 2.652 . 0 0 "[ . 1 .]" 1
371 1 25 ASN HA 1 25 ASN HB3 . . 2.930 2.823 2.558 3.053 0.123 4 0 "[ . 1 .]" 1
372 1 25 ASN HA 1 26 GLU H . . 2.960 3.079 2.993 3.158 0.198 7 0 "[ . 1 .]" 1
373 1 25 ASN HA 1 26 GLU QG . . 6.380 5.575 5.469 5.768 . 0 0 "[ . 1 .]" 1
374 1 25 ASN HA 1 28 GLY H . . 5.100 4.325 4.008 4.628 . 0 0 "[ . 1 .]" 1
375 1 25 ASN HA 1 29 ASP H . . 5.500 5.472 5.169 5.797 0.297 5 0 "[ . 1 .]" 1
376 1 25 ASN HA 1 30 LYS H . . 5.500 4.859 4.387 5.228 . 0 0 "[ . 1 .]" 1
377 1 25 ASN HA 1 32 VAL QG . . 6.200 2.044 1.763 2.573 . 0 0 "[ . 1 .]" 1
378 1 25 ASN HB2 1 26 GLU H . . 2.960 2.682 1.914 3.366 0.406 4 0 "[ . 1 .]" 1
379 1 25 ASN HB2 1 27 GLU H . . 3.890 3.926 3.803 4.070 0.180 3 0 "[ . 1 .]" 1
380 1 25 ASN HB2 1 32 VAL QG . . 6.200 2.766 2.136 3.715 . 0 0 "[ . 1 .]" 1
381 1 25 ASN HB3 1 26 GLU H . . 3.210 2.688 1.988 3.434 0.224 12 0 "[ . 1 .]" 1
382 1 25 ASN HB3 1 27 GLU H . . 4.690 3.363 2.122 4.728 0.038 12 0 "[ . 1 .]" 1
383 1 25 ASN HB3 1 28 GLY H . . 5.310 3.354 2.420 4.479 . 0 0 "[ . 1 .]" 1
384 1 25 ASN HB3 1 32 VAL H . . 5.500 4.698 3.355 5.540 0.040 13 0 "[ . 1 .]" 1
385 1 25 ASN HB3 1 32 VAL QG . . 5.920 3.076 1.886 4.463 . 0 0 "[ . 1 .]" 1
386 1 25 ASN HD21 1 26 GLU H . . 5.500 2.132 1.866 3.006 . 0 0 "[ . 1 .]" 1
387 1 25 ASN HD21 1 26 GLU HB3 . . 5.250 3.672 3.267 4.551 . 0 0 "[ . 1 .]" 1
388 1 25 ASN HD21 1 27 GLU H . . 5.500 2.871 2.462 4.070 . 0 0 "[ . 1 .]" 1
389 1 25 ASN HD21 1 28 GLY H . . 5.500 4.201 3.985 5.010 . 0 0 "[ . 1 .]" 1
390 1 25 ASN HD21 1 29 ASP H . . 5.470 3.958 3.281 4.428 . 0 0 "[ . 1 .]" 1
391 1 25 ASN HD21 1 29 ASP HB2 . . 5.500 4.460 2.682 5.570 0.070 12 0 "[ . 1 .]" 1
392 1 25 ASN HD21 1 32 VAL QG . . 7.620 4.316 3.704 5.043 . 0 0 "[ . 1 .]" 1
393 1 25 ASN HD22 1 26 GLU H . . 5.500 2.967 2.552 3.427 . 0 0 "[ . 1 .]" 1
394 1 25 ASN HD22 1 26 GLU HB3 . . 4.140 3.998 3.262 4.156 0.016 10 0 "[ . 1 .]" 1
395 1 25 ASN HD22 1 27 GLU H . . 4.790 3.356 1.880 4.628 . 0 0 "[ . 1 .]" 1
396 1 25 ASN HD22 1 28 GLY H . . 5.500 4.687 3.170 5.767 0.267 4 0 "[ . 1 .]" 1
397 1 25 ASN HD22 1 32 VAL QG . . 7.620 4.588 3.960 5.710 . 0 0 "[ . 1 .]" 1
398 1 26 GLU H 1 26 GLU HB2 . . 3.080 2.151 2.062 2.386 . 0 0 "[ . 1 .]" 1
399 1 26 GLU H 1 26 GLU HB3 . . 2.990 2.962 2.899 3.083 0.093 3 0 "[ . 1 .]" 1
400 1 26 GLU H 1 27 GLU H . . 3.270 2.557 2.122 2.907 . 0 0 "[ . 1 .]" 1
401 1 26 GLU H 1 28 GLY H . . 4.350 3.559 3.406 3.983 . 0 0 "[ . 1 .]" 1
402 1 26 GLU H 1 32 VAL QG . . 7.620 3.938 3.539 4.373 . 0 0 "[ . 1 .]" 1
403 1 26 GLU HA 1 26 GLU HB3 . . 2.960 2.985 2.974 2.994 0.034 1 0 "[ . 1 .]" 1
404 1 26 GLU HA 1 28 GLY H . . 4.380 4.128 3.673 4.652 0.272 3 0 "[ . 1 .]" 1
405 1 26 GLU HB2 1 28 GLY H . . 5.500 5.164 4.897 5.408 . 0 0 "[ . 1 .]" 1
406 1 27 GLU H 1 27 GLU QB . . 3.560 2.780 2.393 3.189 . 0 0 "[ . 1 .]" 1
407 1 27 GLU H 1 27 GLU HG2 . . 4.660 3.061 2.117 3.762 . 0 0 "[ . 1 .]" 1
408 1 27 GLU H 1 27 GLU HG3 . . 3.020 2.752 2.455 2.995 . 0 0 "[ . 1 .]" 1
409 1 27 GLU H 1 28 GLY H . . 3.050 2.141 1.801 2.601 . 0 0 "[ . 1 .]" 1
410 1 27 GLU H 1 29 ASP H . . 4.350 3.091 2.410 4.024 . 0 0 "[ . 1 .]" 1
411 1 27 GLU HA 1 27 GLU HG2 . . 3.170 2.675 2.393 3.080 . 0 0 "[ . 1 .]" 1
412 1 27 GLU QB 1 28 GLY H . . 4.490 3.619 3.241 3.917 . 0 0 "[ . 1 .]" 1
413 1 27 GLU QB 1 29 ASP H . . 4.420 3.153 2.898 3.666 . 0 0 "[ . 1 .]" 1
414 1 27 GLU HG2 1 28 GLY H . . 5.500 4.748 4.387 5.118 . 0 0 "[ . 1 .]" 1
415 1 27 GLU HG2 1 29 ASP H . . 5.500 5.433 5.211 5.520 0.020 9 0 "[ . 1 .]" 1
416 1 28 GLY H 1 28 GLY HA2 . . 2.870 2.256 2.246 2.284 . 0 0 "[ . 1 .]" 1
417 1 28 GLY H 1 28 GLY HA3 . . 2.800 2.833 2.766 2.893 0.093 8 0 "[ . 1 .]" 1
418 1 28 GLY H 1 29 ASP H . . 2.990 2.581 2.399 2.754 . 0 0 "[ . 1 .]" 1
419 1 28 GLY H 1 29 ASP HA . . 5.380 5.116 4.948 5.253 . 0 0 "[ . 1 .]" 1
420 1 28 GLY H 1 30 LYS H . . 3.640 3.765 3.688 3.952 0.312 5 0 "[ . 1 .]" 1
421 1 28 GLY HA2 1 29 ASP H . . 3.520 3.080 2.904 3.245 . 0 0 "[ . 1 .]" 1
422 1 28 GLY HA2 1 30 LYS H . . 4.450 3.206 2.987 3.539 . 0 0 "[ . 1 .]" 1
423 1 28 GLY HA3 1 29 ASP H . . 3.520 3.541 3.451 3.614 0.094 2 0 "[ . 1 .]" 1
424 1 28 GLY HA3 1 30 LYS H . . 4.690 4.383 4.086 4.714 0.024 12 0 "[ . 1 .]" 1
425 1 29 ASP H 1 29 ASP HB2 . . 3.270 2.263 2.029 2.613 . 0 0 "[ . 1 .]" 1
426 1 29 ASP H 1 29 ASP HB3 . . 3.580 2.987 2.876 3.160 . 0 0 "[ . 1 .]" 1
427 1 29 ASP H 1 30 LYS H . . 2.710 2.275 1.857 2.677 . 0 0 "[ . 1 .]" 1
428 1 29 ASP HA 1 29 ASP HB2 . . 2.740 2.765 2.736 2.838 0.098 11 0 "[ . 1 .]" 1
429 1 29 ASP HA 1 29 ASP HB3 . . 2.990 2.983 2.936 3.000 0.010 14 0 "[ . 1 .]" 1
430 1 29 ASP HB2 1 30 LYS H . . 4.200 3.859 3.717 4.055 . 0 0 "[ . 1 .]" 1
431 1 29 ASP HB3 1 30 LYS H . . 4.600 3.471 3.196 3.722 . 0 0 "[ . 1 .]" 1
432 1 31 ALA HA 1 32 VAL H . . 3.330 2.211 2.186 2.258 . 0 0 "[ . 1 .]" 1
433 1 31 ALA HA 1 32 VAL HA . . 5.500 4.403 4.371 4.446 . 0 0 "[ . 1 .]" 1
434 1 31 ALA HA 1 32 VAL HB . . 4.540 4.494 4.133 4.634 0.094 12 0 "[ . 1 .]" 1
435 1 31 ALA HA 1 32 VAL QG . . 7.620 3.812 3.383 4.332 . 0 0 "[ . 1 .]" 1
436 1 32 VAL H 1 32 VAL HB . . 3.300 2.360 2.071 2.673 . 0 0 "[ . 1 .]" 1
437 1 32 VAL H 1 33 VAL H . . 4.690 4.594 4.544 4.636 . 0 0 "[ . 1 .]" 1
438 1 32 VAL HA 1 32 VAL HB . . 3.020 2.921 2.495 3.026 0.006 9 0 "[ . 1 .]" 1
439 1 32 VAL HA 1 33 VAL H . . 2.620 2.434 2.297 2.543 . 0 0 "[ . 1 .]" 1
440 1 32 VAL QG 1 33 VAL H . . 6.600 1.935 1.749 2.396 . 0 0 "[ . 1 .]" 1
441 1 33 VAL H 1 33 VAL MG2 . . 4.510 2.454 2.008 2.778 . 0 0 "[ . 1 .]" 1
442 1 33 VAL H 1 34 ILE H . . 4.600 4.552 4.433 4.611 0.011 1 0 "[ . 1 .]" 1
443 1 33 VAL HA 1 33 VAL MG1 . . 3.680 2.462 2.394 2.586 . 0 0 "[ . 1 .]" 1
444 1 33 VAL HA 1 34 ILE H . . 2.770 2.260 2.204 2.321 . 0 0 "[ . 1 .]" 1
445 1 33 VAL HA 1 34 ILE QG . . 6.380 3.072 3.002 3.134 . 0 0 "[ . 1 .]" 1
446 1 33 VAL HA 1 34 ILE MG . . 5.880 4.818 4.650 4.961 . 0 0 "[ . 1 .]" 1
447 1 33 VAL HA 1 35 ASN H . . 3.920 3.821 3.696 3.914 . 0 0 "[ . 1 .]" 1
448 1 33 VAL MG1 1 34 ILE H . . 5.410 2.330 2.092 2.657 . 0 0 "[ . 1 .]" 1
449 1 33 VAL MG1 1 34 ILE MG . . 7.560 4.734 4.608 4.846 . 0 0 "[ . 1 .]" 1
450 1 33 VAL MG1 1 35 ASN H . . 4.610 2.404 2.083 2.756 . 0 0 "[ . 1 .]" 1
451 1 33 VAL MG1 1 35 ASN HA . . 6.030 4.003 3.880 4.126 . 0 0 "[ . 1 .]" 1
452 1 33 VAL MG1 1 35 ASN HB3 . . 7.030 4.021 3.711 4.298 . 0 0 "[ . 1 .]" 1
453 1 33 VAL MG1 1 36 PRO QB . . 6.470 2.871 2.486 3.354 . 0 0 "[ . 1 .]" 1
454 1 33 VAL MG1 1 36 PRO HD2 . . 5.380 4.369 4.096 4.569 . 0 0 "[ . 1 .]" 1
455 1 33 VAL MG1 1 36 PRO HD3 . . 5.440 3.241 2.894 3.563 . 0 0 "[ . 1 .]" 1
456 1 33 VAL MG1 1 37 ASP H . . 6.530 4.254 3.998 4.373 . 0 0 "[ . 1 .]" 1
457 1 33 VAL MG1 1 38 SER H . . 6.530 4.904 4.522 5.170 . 0 0 "[ . 1 .]" 1
458 1 33 VAL MG2 1 34 ILE H . . 4.790 3.994 3.770 4.100 . 0 0 "[ . 1 .]" 1
459 1 33 VAL MG2 1 35 ASN H . . 6.470 4.753 4.412 5.070 . 0 0 "[ . 1 .]" 1
460 1 34 ILE H 1 34 ILE HB . . 3.170 3.249 3.136 3.376 0.206 12 0 "[ . 1 .]" 1
461 1 34 ILE H 1 34 ILE MD . . 5.750 3.624 3.518 3.684 . 0 0 "[ . 1 .]" 1
462 1 34 ILE H 1 34 ILE QG . . 4.890 1.841 1.782 1.900 . 0 0 "[ . 1 .]" 1
463 1 34 ILE H 1 34 ILE MG . . 4.790 3.693 3.575 3.803 . 0 0 "[ . 1 .]" 1
464 1 34 ILE H 1 35 ASN H . . 3.050 1.879 1.746 2.073 . 0 0 "[ . 1 .]" 1
465 1 34 ILE H 1 35 ASN HA . . 5.070 4.546 4.413 4.730 . 0 0 "[ . 1 .]" 1
466 1 34 ILE H 1 35 ASN HB2 . . 5.570 4.271 4.178 4.426 . 0 0 "[ . 1 .]" 1
467 1 34 ILE H 1 35 ASN HB3 . . 5.660 4.597 4.329 4.853 . 0 0 "[ . 1 .]" 1
468 1 34 ILE HA 1 35 ASN H . . 3.420 3.560 3.524 3.591 0.171 10 0 "[ . 1 .]" 1
469 1 34 ILE HB 1 35 ASN H . . 3.240 3.273 3.157 3.449 0.209 6 0 "[ . 1 .]" 1
470 1 34 ILE HB 1 35 ASN HA . . 5.030 4.264 4.229 4.292 . 0 0 "[ . 1 .]" 1
471 1 34 ILE HB 1 35 ASN HB2 . . 6.000 3.792 3.663 3.989 . 0 0 "[ . 1 .]" 1
472 1 34 ILE HB 1 35 ASN HB3 . . 6.000 5.185 4.997 5.327 . 0 0 "[ . 1 .]" 1
473 1 34 ILE HB 1 36 PRO HD3 . . 5.500 4.961 4.870 5.102 . 0 0 "[ . 1 .]" 1
474 1 34 ILE MD 1 35 ASN H . . 6.530 4.209 4.009 4.372 . 0 0 "[ . 1 .]" 1
475 1 34 ILE MD 1 35 ASN HB2 . . 7.030 4.516 4.242 4.766 . 0 0 "[ . 1 .]" 1
476 1 34 ILE MD 1 35 ASN HB3 . . 7.030 5.623 5.175 5.849 . 0 0 "[ . 1 .]" 1
477 1 34 ILE MD 1 35 ASN HD21 . . 7.030 5.662 5.414 5.814 . 0 0 "[ . 1 .]" 1
478 1 34 ILE QG 1 35 ASN H . . 6.190 2.788 2.605 3.028 . 0 0 "[ . 1 .]" 1
479 1 34 ILE QG 1 35 ASN HA . . 6.380 5.045 4.916 5.264 . 0 0 "[ . 1 .]" 1
480 1 34 ILE QG 1 35 ASN HD21 . . 6.880 5.894 5.635 6.073 . 0 0 "[ . 1 .]" 1
481 1 34 ILE MG 1 35 ASN H . . 6.030 4.339 4.291 4.401 . 0 0 "[ . 1 .]" 1
482 1 34 ILE MG 1 35 ASN HB2 . . 7.030 5.178 5.026 5.343 . 0 0 "[ . 1 .]" 1
483 1 35 ASN H 1 35 ASN HB2 . . 3.950 2.635 2.525 2.742 . 0 0 "[ . 1 .]" 1
484 1 35 ASN H 1 35 ASN HB3 . . 4.020 2.836 2.701 2.987 . 0 0 "[ . 1 .]" 1
485 1 35 ASN H 1 35 ASN HD21 . . 6.000 4.808 4.676 4.938 . 0 0 "[ . 1 .]" 1
486 1 35 ASN H 1 35 ASN HD22 . . 6.000 5.932 5.861 6.010 0.010 12 0 "[ . 1 .]" 1
487 1 35 ASN H 1 36 PRO HD3 . . 5.310 3.554 3.332 3.855 . 0 0 "[ . 1 .]" 1
488 1 35 ASN H 1 37 ASP H . . 5.380 4.723 4.682 4.757 . 0 0 "[ . 1 .]" 1
489 1 35 ASN H 1 38 SER H . . 5.500 5.353 5.001 5.578 0.078 10 0 "[ . 1 .]" 1
490 1 35 ASN HA 1 36 PRO HA . . 4.660 4.532 4.496 4.558 . 0 0 "[ . 1 .]" 1
491 1 35 ASN HA 1 36 PRO HD2 . . 2.930 2.267 2.239 2.301 . 0 0 "[ . 1 .]" 1
492 1 35 ASN HA 1 36 PRO HD3 . . 3.020 2.372 2.227 2.479 . 0 0 "[ . 1 .]" 1
493 1 35 ASN HA 1 37 ASP H . . 3.980 3.561 3.431 3.721 . 0 0 "[ . 1 .]" 1
494 1 35 ASN HA 1 37 ASP HB3 . . 5.100 5.151 5.007 5.286 0.186 4 0 "[ . 1 .]" 1
495 1 35 ASN HA 1 38 SER H . . 5.470 4.801 4.518 5.043 . 0 0 "[ . 1 .]" 1
496 1 35 ASN HA 1 38 SER HB2 . . 5.500 5.051 4.529 5.620 0.120 8 0 "[ . 1 .]" 1
497 1 35 ASN HB2 1 38 SER HB2 . . 6.000 3.726 3.376 4.331 . 0 0 "[ . 1 .]" 1
498 1 35 ASN HB3 1 38 SER H . . 5.600 3.105 2.625 3.423 . 0 0 "[ . 1 .]" 1
499 1 35 ASN HB3 1 38 SER HA . . 6.000 3.408 2.584 4.061 . 0 0 "[ . 1 .]" 1
500 1 35 ASN HB3 1 38 SER HB2 . . 6.000 2.260 1.910 2.749 . 0 0 "[ . 1 .]" 1
501 1 35 ASN HB3 1 38 SER HB3 . . 5.190 3.814 3.502 4.269 . 0 0 "[ . 1 .]" 1
502 1 35 ASN HD21 1 38 SER H . . 6.000 5.030 4.564 5.618 . 0 0 "[ . 1 .]" 1
503 1 35 ASN HD21 1 38 SER HB2 . . 6.000 3.843 3.241 4.651 . 0 0 "[ . 1 .]" 1
504 1 35 ASN HD21 1 38 SER HB3 . . 6.500 4.968 4.359 5.557 . 0 0 "[ . 1 .]" 1
505 1 35 ASN HD21 1 39 ASP H . . 6.000 5.718 5.002 6.109 0.109 8 0 "[ . 1 .]" 1
506 1 35 ASN HD22 1 37 ASP H . . 6.000 5.096 4.757 5.575 . 0 0 "[ . 1 .]" 1
507 1 35 ASN HD22 1 38 SER H . . 6.000 4.943 4.618 5.350 . 0 0 "[ . 1 .]" 1
508 1 35 ASN HD22 1 38 SER HB2 . . 6.000 4.377 3.813 5.006 . 0 0 "[ . 1 .]" 1
509 1 35 ASN HD22 1 38 SER HB3 . . 5.550 5.230 4.666 5.610 0.060 11 0 "[ . 1 .]" 1
510 1 35 ASN HD22 1 39 ASP H . . 6.000 5.490 4.504 6.106 0.106 13 0 "[ . 1 .]" 1
511 1 35 ASN O 1 37 ASP H . . 2.000 1.943 1.846 2.106 0.106 11 0 "[ . 1 .]" 1
512 1 35 ASN O 1 37 ASP N . . 3.000 2.735 2.695 2.805 . 0 0 "[ . 1 .]" 1
513 1 36 PRO HA 1 37 ASP HB3 . . 5.500 5.135 5.010 5.264 . 0 0 "[ . 1 .]" 1
514 1 36 PRO HA 1 38 SER H . . 4.230 4.195 4.052 4.293 0.063 14 0 "[ . 1 .]" 1
515 1 36 PRO QB 1 37 ASP HA . . 6.380 4.766 4.696 4.825 . 0 0 "[ . 1 .]" 1
516 1 36 PRO HD2 1 37 ASP H . . 4.110 3.615 3.358 3.796 . 0 0 "[ . 1 .]" 1
517 1 36 PRO HD2 1 37 ASP HA . . 5.500 5.740 5.617 5.824 0.324 7 0 "[ . 1 .]" 1
518 1 36 PRO HD2 1 37 ASP HB3 . . 5.500 4.217 4.127 4.282 . 0 0 "[ . 1 .]" 1
519 1 36 PRO HD3 1 37 ASP H . . 5.160 4.347 4.186 4.464 . 0 0 "[ . 1 .]" 1
520 1 37 ASP H 1 37 ASP HB2 . . 3.500 3.582 3.501 3.657 0.157 9 0 "[ . 1 .]" 1
521 1 37 ASP H 1 37 ASP HB3 . . 3.220 3.165 3.064 3.226 0.006 7 0 "[ . 1 .]" 1
522 1 37 ASP H 1 38 SER H . . 3.050 1.944 1.870 2.186 . 0 0 "[ . 1 .]" 1
523 1 37 ASP H 1 38 SER HB2 . . 4.630 3.700 3.252 4.503 . 0 0 "[ . 1 .]" 1
524 1 37 ASP HA 1 37 ASP HB2 . . 2.960 2.468 2.437 2.507 . 0 0 "[ . 1 .]" 1
525 1 37 ASP HB3 1 38 SER H . . 4.140 4.255 4.163 4.329 0.189 10 0 "[ . 1 .]" 1
526 1 38 SER H 1 38 SER HB2 . . 3.170 2.289 2.038 2.911 . 0 0 "[ . 1 .]" 1
527 1 38 SER H 1 38 SER HB3 . . 2.900 2.788 2.223 3.119 0.219 13 0 "[ . 1 .]" 1
528 1 38 SER H 1 39 ASP H . . 4.320 3.852 2.858 4.497 0.177 14 0 "[ . 1 .]" 1
529 1 38 SER H 1 40 LEU H . . 5.380 5.340 4.888 5.563 0.183 9 0 "[ . 1 .]" 1
530 1 38 SER HA 1 40 LEU H . . 4.570 4.297 3.555 4.622 0.052 1 0 "[ . 1 .]" 1
531 1 38 SER HA 1 40 LEU QB . . 6.880 5.330 3.804 6.179 . 0 0 "[ . 1 .]" 1
532 1 38 SER HA 1 40 LEU MD1 . . 7.030 4.366 2.870 5.852 . 0 0 "[ . 1 .]" 1
533 1 38 SER HA 1 40 LEU MD2 . . 6.220 3.946 2.309 5.070 . 0 0 "[ . 1 .]" 1
534 1 38 SER HA 1 40 LEU HG . . 4.850 4.013 3.167 4.755 . 0 0 "[ . 1 .]" 1
535 1 38 SER HA 1 43 VAL QG . . 7.620 4.795 4.123 5.311 . 0 0 "[ . 1 .]" 1
536 1 38 SER HB2 1 39 ASP H . . 3.980 3.478 2.814 3.703 . 0 0 "[ . 1 .]" 1
537 1 38 SER HB2 1 40 LEU HG . . 6.000 4.248 3.184 4.991 . 0 0 "[ . 1 .]" 1
538 1 38 SER HB2 1 43 VAL QG . . 6.660 3.241 2.456 3.783 . 0 0 "[ . 1 .]" 1
539 1 38 SER HB3 1 39 ASP H . . 2.830 2.172 1.855 2.480 . 0 0 "[ . 1 .]" 1
540 1 38 SER HB3 1 40 LEU H . . 3.670 2.979 2.553 3.752 0.082 8 0 "[ . 1 .]" 1
541 1 39 ASP H 1 39 ASP HB2 . . 4.110 3.350 2.857 4.050 . 0 0 "[ . 1 .]" 1
542 1 39 ASP H 1 39 ASP HB3 . . 4.010 3.609 3.112 3.957 . 0 0 "[ . 1 .]" 1
543 1 39 ASP H 1 40 LEU H . . 3.170 2.271 1.854 2.990 . 0 0 "[ . 1 .]" 1
544 1 39 ASP H 1 40 LEU HA . . 5.220 4.654 4.006 5.388 0.168 3 0 "[ . 1 .]" 1
545 1 39 ASP H 1 40 LEU QB . . 6.880 4.427 3.722 5.151 . 0 0 "[ . 1 .]" 1
546 1 39 ASP H 1 40 LEU MD1 . . 7.030 4.064 2.428 5.928 . 0 0 "[ . 1 .]" 1
547 1 39 ASP H 1 40 LEU MD2 . . 7.030 4.152 2.516 5.217 . 0 0 "[ . 1 .]" 1
548 1 39 ASP H 1 40 LEU HG . . 5.100 3.221 2.087 4.659 . 0 0 "[ . 1 .]" 1
549 1 39 ASP H 1 43 VAL QG . . 7.620 3.310 1.870 4.309 . 0 0 "[ . 1 .]" 1
550 1 40 LEU H 1 40 LEU MD1 . . 5.570 2.823 1.864 4.142 . 0 0 "[ . 1 .]" 1
551 1 40 LEU H 1 40 LEU MD2 . . 5.760 3.424 2.666 3.861 . 0 0 "[ . 1 .]" 1
552 1 40 LEU H 1 40 LEU HG . . 3.430 2.129 1.922 2.815 . 0 0 "[ . 1 .]" 1
553 1 40 LEU H 1 41 ASP H . . 4.410 3.907 2.576 4.473 0.063 11 0 "[ . 1 .]" 1
554 1 40 LEU HA 1 40 LEU MD1 . . 4.640 3.732 3.459 4.042 . 0 0 "[ . 1 .]" 1
555 1 40 LEU HA 1 40 LEU HG . . 4.050 3.408 2.900 3.665 . 0 0 "[ . 1 .]" 1
556 1 40 LEU HA 1 41 ASP H . . 3.110 2.849 2.356 3.200 0.090 13 0 "[ . 1 .]" 1
557 1 40 LEU HA 1 41 ASP HB2 . . 4.380 4.251 3.943 4.450 0.070 2 0 "[ . 1 .]" 1
558 1 40 LEU HA 1 41 ASP HB3 . . 5.160 4.934 4.713 5.149 . 0 0 "[ . 1 .]" 1
559 1 40 LEU HA 1 42 CYS H . . 4.410 4.281 3.787 4.537 0.127 2 0 "[ . 1 .]" 1
560 1 40 LEU HA 1 43 VAL QG . . 7.620 5.084 4.795 5.335 . 0 0 "[ . 1 .]" 1
561 1 40 LEU QB 1 41 ASP H . . 5.760 2.580 1.836 4.113 . 0 0 "[ . 1 .]" 1
562 1 40 LEU QB 1 41 ASP HB2 . . 6.880 4.480 4.263 4.652 . 0 0 "[ . 1 .]" 1
563 1 40 LEU QB 1 42 CYS H . . 5.570 2.675 2.027 4.013 . 0 0 "[ . 1 .]" 1
564 1 40 LEU MD1 1 41 ASP H . . 5.910 3.812 3.075 4.608 . 0 0 "[ . 1 .]" 1
565 1 40 LEU MD1 1 41 ASP HA . . 7.030 4.946 3.668 5.926 . 0 0 "[ . 1 .]" 1
566 1 40 LEU MD1 1 41 ASP HB3 . . 7.030 5.053 3.359 5.911 . 0 0 "[ . 1 .]" 1
567 1 40 LEU HG 1 41 ASP H . . 5.380 4.521 3.755 5.025 . 0 0 "[ . 1 .]" 1
568 1 40 LEU HG 1 42 CYS H . . 5.160 4.240 2.356 4.981 . 0 0 "[ . 1 .]" 1
569 1 41 ASP H 1 41 ASP HB2 . . 3.520 2.929 2.213 3.355 . 0 0 "[ . 1 .]" 1
570 1 41 ASP H 1 41 ASP HB3 . . 3.760 2.958 2.553 3.843 0.083 12 0 "[ . 1 .]" 1
571 1 41 ASP H 1 42 CYS H . . 4.380 2.464 1.861 3.458 . 0 0 "[ . 1 .]" 1
572 1 41 ASP H 1 43 VAL QG . . 7.620 4.478 3.148 5.529 . 0 0 "[ . 1 .]" 1
573 1 41 ASP HA 1 41 ASP HB3 . . 3.130 3.047 3.036 3.056 . 0 0 "[ . 1 .]" 1
574 1 41 ASP HA 1 43 VAL QG . . 7.620 4.354 3.878 4.800 . 0 0 "[ . 1 .]" 1
575 1 41 ASP HA 1 44 GLU H . . 4.070 3.332 2.834 3.894 . 0 0 "[ . 1 .]" 1
576 1 41 ASP HA 1 44 GLU QB . . 5.230 3.316 2.185 4.346 . 0 0 "[ . 1 .]" 1
577 1 41 ASP HA 1 45 GLU H . . 5.500 4.958 4.202 5.482 . 0 0 "[ . 1 .]" 1
578 1 41 ASP HB3 1 42 CYS H . . 4.320 3.445 2.303 4.308 . 0 0 "[ . 1 .]" 1
579 1 42 CYS H 1 42 CYS HB2 . . 4.110 3.098 2.055 3.721 . 0 0 "[ . 1 .]" 1
580 1 42 CYS H 1 42 CYS HB3 . . 3.520 2.969 2.107 3.448 . 0 0 "[ . 1 .]" 1
581 1 42 CYS H 1 43 VAL H . . 3.550 2.480 1.794 2.888 . 0 0 "[ . 1 .]" 1
582 1 42 CYS H 1 43 VAL QG . . 7.620 3.651 2.809 4.565 . 0 0 "[ . 1 .]" 1
583 1 42 CYS HA 1 42 CYS HB3 . . 2.830 2.562 2.262 3.024 0.194 3 0 "[ . 1 .]" 1
584 1 42 CYS HA 1 45 GLU H . . 4.660 3.288 3.123 3.532 . 0 0 "[ . 1 .]" 1
585 1 42 CYS HA 1 45 GLU HG3 . . 5.880 2.740 1.884 3.309 . 0 0 "[ . 1 .]" 1
586 1 42 CYS HB3 1 45 GLU H . . 5.500 5.446 5.176 5.713 0.213 15 0 "[ . 1 .]" 1
587 1 43 VAL H 1 43 VAL HB . . 2.930 2.385 2.106 2.735 . 0 0 "[ . 1 .]" 1
588 1 43 VAL H 1 44 GLU H . . 3.240 2.478 2.004 2.739 . 0 0 "[ . 1 .]" 1
589 1 43 VAL H 1 44 GLU HA . . 5.220 5.023 4.646 5.235 0.015 15 0 "[ . 1 .]" 1
590 1 43 VAL H 1 44 GLU QB . . 5.850 4.213 3.809 4.582 . 0 0 "[ . 1 .]" 1
591 1 43 VAL H 1 45 GLU H . . 4.140 3.907 3.432 4.189 0.049 5 0 "[ . 1 .]" 1
592 1 43 VAL HA 1 45 GLU H . . 4.570 4.190 3.694 4.539 . 0 0 "[ . 1 .]" 1
593 1 43 VAL HA 1 46 ALA H . . 3.890 3.170 2.837 3.420 . 0 0 "[ . 1 .]" 1
594 1 43 VAL HB 1 44 GLU H . . 3.080 2.822 2.359 3.107 0.027 10 0 "[ . 1 .]" 1
595 1 43 VAL QG 1 44 GLU H . . 7.620 3.235 2.810 3.443 . 0 0 "[ . 1 .]" 1
596 1 43 VAL QG 1 44 GLU QB . . 8.500 4.183 3.871 4.452 . 0 0 "[ . 1 .]" 1
597 1 43 VAL QG 1 44 GLU QG . . 8.500 4.289 2.939 5.470 . 0 0 "[ . 1 .]" 1
598 1 43 VAL QG 1 45 GLU H . . 7.620 4.524 4.162 4.777 . 0 0 "[ . 1 .]" 1
599 1 43 VAL QG 1 47 ILE HB . . 7.620 3.850 3.463 4.535 . 0 0 "[ . 1 .]" 1
600 1 44 GLU H 1 45 GLU H . . 3.050 2.588 2.295 2.838 . 0 0 "[ . 1 .]" 1
601 1 44 GLU H 1 47 ILE H . . 5.500 4.778 4.572 5.058 . 0 0 "[ . 1 .]" 1
602 1 44 GLU HA 1 45 GLU HG2 . . 6.000 5.271 4.808 5.426 . 0 0 "[ . 1 .]" 1
603 1 44 GLU HA 1 46 ALA MB . . 6.530 4.930 4.760 5.179 . 0 0 "[ . 1 .]" 1
604 1 44 GLU HA 1 47 ILE H . . 3.610 3.522 3.362 3.649 0.039 14 0 "[ . 1 .]" 1
605 1 44 GLU HA 1 47 ILE HB . . 2.930 2.974 2.869 3.035 0.105 15 0 "[ . 1 .]" 1
606 1 44 GLU HA 1 47 ILE QG . . 5.760 4.659 4.071 4.960 . 0 0 "[ . 1 .]" 1
607 1 44 GLU HA 1 48 ASP H . . 4.140 3.992 3.798 4.127 . 0 0 "[ . 1 .]" 1
608 1 44 GLU HA 1 48 ASP HB2 . . 5.250 4.605 4.375 4.787 . 0 0 "[ . 1 .]" 1
609 1 44 GLU QB 1 48 ASP H . . 6.380 4.937 4.520 5.340 . 0 0 "[ . 1 .]" 1
610 1 44 GLU QG 1 47 ILE MD . . 7.400 4.434 3.451 5.358 . 0 0 "[ . 1 .]" 1
611 1 44 GLU QG 1 48 ASP H . . 6.380 4.832 3.944 5.519 . 0 0 "[ . 1 .]" 1
612 1 45 GLU H 1 45 GLU HB2 . . 3.460 3.451 2.644 3.626 0.166 8 0 "[ . 1 .]" 1
613 1 45 GLU H 1 45 GLU HB3 . . 3.400 2.886 2.630 3.612 0.212 4 0 "[ . 1 .]" 1
614 1 45 GLU H 1 45 GLU HG3 . . 4.420 3.061 1.919 3.446 . 0 0 "[ . 1 .]" 1
615 1 45 GLU H 1 46 ALA H . . 3.080 2.344 2.148 2.521 . 0 0 "[ . 1 .]" 1
616 1 45 GLU H 1 46 ALA HA . . 4.760 4.896 4.745 4.981 0.221 11 0 "[ . 1 .]" 1
617 1 45 GLU H 1 46 ALA MB . . 6.530 3.893 3.752 4.025 . 0 0 "[ . 1 .]" 1
618 1 45 GLU H 1 47 ILE H . . 5.130 3.851 3.671 4.073 . 0 0 "[ . 1 .]" 1
619 1 45 GLU H 1 47 ILE MD . . 6.530 5.123 4.612 5.289 . 0 0 "[ . 1 .]" 1
620 1 45 GLU H 1 48 ASP H . . 5.500 4.684 4.562 4.825 . 0 0 "[ . 1 .]" 1
621 1 45 GLU H 1 48 ASP HB2 . . 4.940 4.991 4.967 5.006 0.066 9 0 "[ . 1 .]" 1
622 1 45 GLU HA 1 46 ALA MB . . 6.530 4.927 4.838 4.983 . 0 0 "[ . 1 .]" 1
623 1 45 GLU HA 1 48 ASP H . . 4.010 3.285 3.117 3.407 . 0 0 "[ . 1 .]" 1
624 1 45 GLU HA 1 48 ASP HB2 . . 3.080 2.860 2.778 3.048 . 0 0 "[ . 1 .]" 1
625 1 45 GLU HA 1 49 SER H . . 5.500 3.733 3.236 4.379 . 0 0 "[ . 1 .]" 1
626 1 45 GLU HB2 1 47 ILE H . . 5.630 5.397 4.880 5.673 0.043 15 0 "[ . 1 .]" 1
627 1 46 ALA MB 1 47 ILE HB . . 6.530 4.370 4.133 4.538 . 0 0 "[ . 1 .]" 1
628 1 47 ILE H 1 47 ILE HB . . 3.080 2.219 2.145 2.354 . 0 0 "[ . 1 .]" 1
629 1 47 ILE H 1 47 ILE MD . . 4.230 3.184 2.497 3.524 . 0 0 "[ . 1 .]" 1
630 1 47 ILE H 1 48 ASP H . . 3.580 2.254 2.084 2.419 . 0 0 "[ . 1 .]" 1
631 1 47 ILE H 1 48 ASP HA . . 5.250 4.826 4.685 4.966 . 0 0 "[ . 1 .]" 1
632 1 47 ILE H 1 48 ASP HB2 . . 4.200 4.042 3.865 4.192 . 0 0 "[ . 1 .]" 1
633 1 47 ILE H 1 49 SER H . . 5.470 3.510 3.287 3.829 . 0 0 "[ . 1 .]" 1
634 1 47 ILE HA 1 47 ILE MD . . 4.610 3.522 2.638 3.841 . 0 0 "[ . 1 .]" 1
635 1 47 ILE HB 1 48 ASP H . . 3.170 2.813 2.663 3.020 . 0 0 "[ . 1 .]" 1
636 1 47 ILE HB 1 48 ASP HB2 . . 5.310 4.467 4.315 4.655 . 0 0 "[ . 1 .]" 1
637 1 47 ILE HB 1 50 CYS HB3 . . 7.000 5.173 4.925 5.463 . 0 0 "[ . 1 .]" 1
638 1 47 ILE MD 1 48 ASP H . . 6.030 4.386 4.149 4.517 . 0 0 "[ . 1 .]" 1
639 1 47 ILE MD 1 55 ILE H . . 6.530 5.250 4.952 5.456 . 0 0 "[ . 1 .]" 1
640 1 47 ILE MD 1 57 ARG HA . . 6.120 4.786 4.334 5.009 . 0 0 "[ . 1 .]" 1
641 1 47 ILE QG 1 48 ASP H . . 6.190 4.424 4.205 4.633 . 0 0 "[ . 1 .]" 1
642 1 47 ILE QG 1 48 ASP HA . . 6.310 5.670 5.476 5.779 . 0 0 "[ . 1 .]" 1
643 1 47 ILE O 1 50 CYS H . . 2.000 2.000 1.886 2.063 0.063 4 0 "[ . 1 .]" 1
644 1 47 ILE O 1 50 CYS N . . 3.000 2.820 2.774 2.907 . 0 0 "[ . 1 .]" 1
645 1 48 ASP H 1 48 ASP HB2 . . 2.900 2.031 2.009 2.074 . 0 0 "[ . 1 .]" 1
646 1 48 ASP HA 1 48 ASP HB2 . . 2.680 2.784 2.724 2.823 0.143 15 0 "[ . 1 .]" 1
647 1 48 ASP HB2 1 49 SER H . . 3.610 3.470 3.243 3.660 0.050 11 0 "[ . 1 .]" 1
648 1 49 SER HA 1 49 SER HB3 . . 2.870 2.574 2.458 2.784 . 0 0 "[ . 1 .]" 1
649 1 55 ILE HA 1 56 VAL H . . 3.360 2.191 2.177 2.249 . 0 0 "[ . 1 .]" 1
650 1 55 ILE HA 1 56 VAL MG2 . . 6.530 3.384 3.142 3.682 . 0 0 "[ . 1 .]" 1
651 1 56 VAL H 1 56 VAL HB . . 3.610 3.658 3.567 3.774 0.164 15 0 "[ . 1 .]" 1
652 1 56 VAL H 1 57 ARG H . . 4.480 4.456 4.348 4.552 0.072 7 0 "[ . 1 .]" 1
653 1 56 VAL HA 1 56 VAL HB . . 2.900 2.574 2.499 2.687 . 0 0 "[ . 1 .]" 1
654 1 56 VAL HA 1 57 ARG H . . 2.770 2.496 2.349 2.718 . 0 0 "[ . 1 .]" 1
655 1 56 VAL HB 1 57 ARG H . . 2.900 2.460 2.000 2.856 . 0 0 "[ . 1 .]" 1
656 1 56 VAL HB 1 58 SER HB2 . . 4.820 4.105 3.516 4.856 0.036 13 0 "[ . 1 .]" 1
657 1 56 VAL MG1 1 57 ARG H . . 6.530 3.459 3.194 3.677 . 0 0 "[ . 1 .]" 1
658 1 56 VAL MG1 1 57 ARG HA . . 6.530 5.413 5.307 5.494 . 0 0 "[ . 1 .]" 1
659 1 56 VAL MG1 1 58 SER H . . 6.530 4.487 4.031 4.713 . 0 0 "[ . 1 .]" 1
660 1 56 VAL MG1 1 58 SER HA . . 6.530 5.361 4.908 5.496 . 0 0 "[ . 1 .]" 1
661 1 56 VAL MG2 1 57 ARG H . . 6.530 3.712 3.309 4.128 . 0 0 "[ . 1 .]" 1
662 1 57 ARG H 1 57 ARG HD2 . . 5.500 4.840 4.322 5.509 0.009 15 0 "[ . 1 .]" 1
663 1 57 ARG H 1 57 ARG HD3 . . 5.500 4.738 3.519 5.456 . 0 0 "[ . 1 .]" 1
664 1 57 ARG H 1 57 ARG HG2 . . 5.310 3.177 1.942 4.538 . 0 0 "[ . 1 .]" 1
665 1 57 ARG H 1 57 ARG HG3 . . 4.070 3.033 2.122 4.371 0.301 15 0 "[ . 1 .]" 1
666 1 57 ARG H 1 58 SER HA . . 5.470 4.340 4.101 4.635 . 0 0 "[ . 1 .]" 1
667 1 57 ARG HA 1 57 ARG HG2 . . 4.230 3.117 2.169 3.924 . 0 0 "[ . 1 .]" 1
668 1 57 ARG HA 1 57 ARG HG3 . . 3.860 3.269 2.566 3.866 0.006 4 0 "[ . 1 .]" 1
669 1 57 ARG HA 1 58 SER H . . 2.990 2.808 2.701 3.119 0.129 13 0 "[ . 1 .]" 1
670 1 57 ARG QB 1 58 SER HA . . 6.380 4.810 4.468 5.414 . 0 0 "[ . 1 .]" 1
671 1 57 ARG HG2 1 58 SER H . . 5.280 4.843 4.048 5.297 0.017 15 0 "[ . 1 .]" 1
672 1 57 ARG HG3 1 58 SER H . . 5.410 4.648 3.519 5.403 . 0 0 "[ . 1 .]" 1
673 1 58 SER H 1 58 SER HB2 . . 4.140 2.272 2.066 2.825 . 0 0 "[ . 1 .]" 1
674 1 58 SER H 1 58 SER HB3 . . 4.010 2.963 2.547 3.522 . 0 0 "[ . 1 .]" 1
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