NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
486409 |
2yty   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yty
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 965
_Distance_constraint_stats_list.Viol_count 981
_Distance_constraint_stats_list.Viol_total 10079.630
_Distance_constraint_stats_list.Viol_max 6.067
_Distance_constraint_stats_list.Viol_rms 0.2313
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0261
_Distance_constraint_stats_list.Viol_average_violations_only 0.5137
_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 9 LEU 0.153 0.059 1 0 "[ . 1 . 2]"
1 10 LEU 0.513 0.150 6 0 "[ . 1 . 2]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 1.163 0.405 14 0 "[ . 1 . 2]"
1 18 ARG 11.470 0.825 20 8 "[ * .* *1 *.*-* +]"
1 19 LEU 8.820 0.825 20 8 "[ * .* -1 *.*** +]"
1 20 LEU 6.950 0.436 19 0 "[ . 1 . 2]"
1 21 GLY 2.993 0.265 6 0 "[ . 1 . 2]"
1 22 TYR 5.222 0.766 13 5 "[ * * 1 + - *]"
1 23 VAL 7.361 0.419 20 0 "[ . 1 . 2]"
1 24 ALA 11.174 0.890 8 10 "[ .* + ***-** * *]"
1 25 THR 0.921 0.197 20 0 "[ . 1 . 2]"
1 26 LEU 3.565 0.482 16 0 "[ . 1 . 2]"
1 27 LYS 8.979 0.527 5 5 "[ + 1* * -*]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 13.148 0.527 5 5 "[ + 1* * -*]"
1 31 GLY 0.153 0.090 12 0 "[ . 1 . 2]"
1 32 PHE 6.279 0.788 8 3 "[ . +*1 - . 2]"
1 33 ILE 39.964 0.941 7 20 [******+*********-***]
1 34 GLU 5.222 0.766 13 5 "[ * * 1 + - *]"
1 35 THR 3.189 0.249 13 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LYS 12.597 0.534 2 8 "[ + *.** 1 .** *-]"
1 41 GLU 16.848 0.890 8 11 "[ .* +***-*** * *]"
1 42 ILE 31.058 1.082 12 12 "[ * ******1 +* * -*]"
1 43 PHE 1.266 0.232 12 0 "[ . 1 . 2]"
1 44 PHE 31.866 0.941 7 20 [******+*********-***]
1 45 HIS 4.053 0.494 6 0 "[ . 1 . 2]"
1 46 TYR 224.980 6.067 12 20 [****-******+********]
1 47 SER 220.326 6.067 12 20 [****-******+********]
1 48 GLU 0.246 0.127 2 0 "[ . 1 . 2]"
1 49 PHE 8.511 0.501 20 1 "[ . 1 . +]"
1 50 SER 5.982 0.444 13 0 "[ . 1 . 2]"
1 51 GLY 1.876 0.275 12 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 14.993 0.501 20 1 "[ . 1 . +]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LEU 4.244 0.413 20 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 1.397 0.197 20 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 19.614 1.685 3 16 "[**+******1 ***-** *2]"
1 61 MET 40.349 1.685 3 19 "[**+******* ******-**]"
1 62 VAL 2.444 0.389 20 0 "[ . 1 . 2]"
1 63 GLU 2.683 0.305 7 0 "[ . 1 . 2]"
1 64 TYR 4.436 0.269 4 0 "[ . 1 . 2]"
1 65 SER 15.655 1.449 13 13 "[*** * ** ***+-* * 2]"
1 66 LEU 13.174 1.082 12 12 "[ * -*****1 +* * **]"
1 67 SER 46.473 2.530 2 19 "[-+************* ****]"
1 68 LYS 0.277 0.122 6 0 "[ . 1 . 2]"
1 69 GLY 0.277 0.122 6 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 4.841 0.514 1 1 "[+ . 1 . 2]"
1 75 SER 28.028 2.530 2 13 "[*+*** ** - * ** **2]"
1 76 ALA 30.983 1.528 3 17 "[**+ ** ******** **-*]"
1 77 GLU 23.369 1.449 13 13 "[*** * ** ***+-* * 2]"
1 78 LYS 7.912 0.457 19 0 "[ . 1 . 2]"
1 79 VAL 6.994 0.419 20 0 "[ . 1 . 2]"
1 80 ASN 6.634 0.444 13 0 "[ . 1 . 2]"
1 81 LYS 0.003 0.003 19 0 "[ . 1 . 2]"
1 82 THR 19.761 0.937 12 12 "[* * ** * +*** *- *]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 LEU H 1 9 LEU QB . . 3.620 2.562 2.071 3.295 . 0 0 "[ . 1 . 2]" 1
2 1 9 LEU HA 1 9 LEU QD . . 3.870 2.780 1.898 3.456 . 0 0 "[ . 1 . 2]" 1
3 1 9 LEU HA 1 9 LEU HG . . 4.100 2.940 2.221 3.697 . 0 0 "[ . 1 . 2]" 1
4 1 9 LEU HA 1 10 LEU H . . 3.470 2.532 2.140 3.529 0.059 1 0 "[ . 1 . 2]" 1
5 1 10 LEU H 1 10 LEU HB2 . . 3.880 2.672 2.055 3.972 0.092 2 0 "[ . 1 . 2]" 1
6 1 10 LEU H 1 10 LEU HB3 . . 3.880 3.219 2.355 4.030 0.150 6 0 "[ . 1 . 2]" 1
7 1 10 LEU HA 1 10 LEU MD1 . . 4.360 3.081 2.007 4.010 . 0 0 "[ . 1 . 2]" 1
8 1 10 LEU HA 1 10 LEU MD2 . . 4.360 3.330 2.174 4.014 . 0 0 "[ . 1 . 2]" 1
9 1 10 LEU HA 1 10 LEU HG . . 4.110 2.798 2.121 3.651 . 0 0 "[ . 1 . 2]" 1
10 1 12 ARG QB 1 12 ARG QG . . 2.310 2.047 2.009 2.087 . 0 0 "[ . 1 . 2]" 1
11 1 17 LYS H 1 17 LYS QB . . 3.530 2.662 2.133 3.094 . 0 0 "[ . 1 . 2]" 1
12 1 17 LYS HA 1 17 LYS HD2 . . 5.340 4.335 2.177 5.201 . 0 0 "[ . 1 . 2]" 1
13 1 17 LYS HA 1 17 LYS QD . . 4.590 3.711 2.147 4.258 . 0 0 "[ . 1 . 2]" 1
14 1 17 LYS HA 1 17 LYS HD3 . . 5.340 4.179 2.606 4.952 . 0 0 "[ . 1 . 2]" 1
15 1 17 LYS HA 1 18 ARG H . . 3.150 2.397 2.142 3.555 0.405 14 0 "[ . 1 . 2]" 1
16 1 17 LYS QB 1 19 LEU QD . . 4.050 3.517 2.274 4.199 0.149 19 0 "[ . 1 . 2]" 1
17 1 17 LYS QD 1 19 LEU QD . . 4.130 2.847 2.017 3.589 . 0 0 "[ . 1 . 2]" 1
18 1 17 LYS QE 1 19 LEU QD . . 4.000 2.974 1.838 4.077 0.077 2 0 "[ . 1 . 2]" 1
19 1 18 ARG H 1 18 ARG QB . . 3.190 2.727 2.098 3.343 0.153 2 0 "[ . 1 . 2]" 1
20 1 18 ARG H 1 18 ARG QG . . 4.210 2.546 1.969 3.846 . 0 0 "[ . 1 . 2]" 1
21 1 18 ARG HA 1 18 ARG HD2 . . 4.410 3.734 2.205 4.602 0.192 12 0 "[ . 1 . 2]" 1
22 1 18 ARG HA 1 18 ARG QD . . 3.800 3.149 2.172 3.877 0.077 3 0 "[ . 1 . 2]" 1
23 1 18 ARG HA 1 18 ARG HD3 . . 4.410 3.599 2.222 4.640 0.230 10 0 "[ . 1 . 2]" 1
24 1 18 ARG HA 1 19 LEU H . . 3.000 2.210 2.146 2.362 . 0 0 "[ . 1 . 2]" 1
25 1 18 ARG HA 1 64 TYR H . . 4.630 4.731 4.360 4.878 0.248 4 0 "[ . 1 . 2]" 1
26 1 18 ARG QB 1 19 LEU H . . 3.790 3.211 2.749 3.841 0.051 16 0 "[ . 1 . 2]" 1
27 1 18 ARG QB 1 63 GLU QG . . 4.080 3.086 2.196 4.081 0.001 16 0 "[ . 1 . 2]" 1
28 1 18 ARG QD 1 19 LEU H . . 4.830 3.974 3.378 4.497 . 0 0 "[ . 1 . 2]" 1
29 1 18 ARG QG 1 19 LEU H . . 5.090 4.316 3.343 4.826 . 0 0 "[ . 1 . 2]" 1
30 1 18 ARG QG 1 19 LEU HA . . 5.240 5.266 4.481 6.065 0.825 20 8 "[ * .* *1 *.*-* +]" 1
31 1 19 LEU H 1 19 LEU HB2 . . 3.560 2.694 2.285 2.871 . 0 0 "[ . 1 . 2]" 1
32 1 19 LEU H 1 19 LEU HB3 . . 4.000 3.783 3.530 3.894 . 0 0 "[ . 1 . 2]" 1
33 1 19 LEU H 1 19 LEU MD1 . . 4.290 3.810 3.301 4.180 . 0 0 "[ . 1 . 2]" 1
34 1 19 LEU H 1 19 LEU QD . . 3.760 3.367 2.662 3.685 . 0 0 "[ . 1 . 2]" 1
35 1 19 LEU H 1 19 LEU MD2 . . 4.290 3.878 2.692 4.258 . 0 0 "[ . 1 . 2]" 1
36 1 19 LEU H 1 19 LEU HG . . 3.630 2.962 2.548 4.238 0.608 9 1 "[ . +1 . 2]" 1
37 1 19 LEU H 1 64 TYR H . . 3.630 3.251 3.058 3.510 . 0 0 "[ . 1 . 2]" 1
38 1 19 LEU HA 1 19 LEU QD . . 3.070 2.315 1.914 2.608 . 0 0 "[ . 1 . 2]" 1
39 1 19 LEU HA 1 19 LEU HG . . 4.000 3.055 2.812 3.699 . 0 0 "[ . 1 . 2]" 1
40 1 19 LEU HA 1 20 LEU H . . 2.950 2.304 2.146 2.526 . 0 0 "[ . 1 . 2]" 1
41 1 19 LEU HA 1 20 LEU HB2 . . 5.500 4.278 4.130 4.488 . 0 0 "[ . 1 . 2]" 1
42 1 19 LEU HB2 1 20 LEU H . . 4.150 3.750 3.312 4.135 . 0 0 "[ . 1 . 2]" 1
43 1 19 LEU HB2 1 64 TYR H . . 4.660 3.854 3.442 4.333 . 0 0 "[ . 1 . 2]" 1
44 1 19 LEU HB3 1 19 LEU MD1 . . 3.440 2.512 2.283 2.718 . 0 0 "[ . 1 . 2]" 1
45 1 19 LEU HB3 1 19 LEU QD . . 2.960 2.073 1.956 2.279 . 0 0 "[ . 1 . 2]" 1
46 1 19 LEU HB3 1 19 LEU MD2 . . 3.440 2.255 2.005 3.193 . 0 0 "[ . 1 . 2]" 1
47 1 19 LEU HB3 1 20 LEU H . . 3.460 2.724 2.181 3.340 . 0 0 "[ . 1 . 2]" 1
48 1 19 LEU HB3 1 64 TYR H . . 5.500 5.110 4.760 5.396 . 0 0 "[ . 1 . 2]" 1
49 1 19 LEU HB3 1 64 TYR QE . . 4.360 3.943 2.893 4.341 . 0 0 "[ . 1 . 2]" 1
50 1 19 LEU QD 1 20 LEU H . . 3.760 3.417 2.588 3.713 . 0 0 "[ . 1 . 2]" 1
51 1 19 LEU QD 1 64 TYR QD . . 4.530 3.712 2.951 4.448 . 0 0 "[ . 1 . 2]" 1
52 1 19 LEU QD 1 64 TYR QE . . 3.550 2.983 2.431 3.819 0.269 4 0 "[ . 1 . 2]" 1
53 1 19 LEU QD 1 66 LEU H . . 3.860 3.294 2.513 3.784 . 0 0 "[ . 1 . 2]" 1
54 1 19 LEU QD 1 66 LEU HB2 . . 3.550 3.395 2.445 3.752 0.202 13 0 "[ . 1 . 2]" 1
55 1 19 LEU QD 1 66 LEU QD . . 3.350 2.346 1.853 3.085 . 0 0 "[ . 1 . 2]" 1
56 1 19 LEU QD 1 66 LEU HG . . 3.450 2.381 2.078 3.302 . 0 0 "[ . 1 . 2]" 1
57 1 20 LEU H 1 20 LEU HB2 . . 3.230 2.401 2.222 2.659 . 0 0 "[ . 1 . 2]" 1
58 1 20 LEU H 1 20 LEU HB3 . . 3.850 3.585 3.430 3.783 . 0 0 "[ . 1 . 2]" 1
59 1 20 LEU H 1 20 LEU MD1 . . 4.150 4.048 2.700 4.244 0.094 18 0 "[ . 1 . 2]" 1
60 1 20 LEU H 1 20 LEU QD . . 3.510 3.616 2.671 3.777 0.267 7 0 "[ . 1 . 2]" 1
61 1 20 LEU H 1 20 LEU MD2 . . 4.150 4.124 3.892 4.249 0.099 9 0 "[ . 1 . 2]" 1
62 1 20 LEU H 1 20 LEU HG . . 4.410 3.463 3.133 4.149 . 0 0 "[ . 1 . 2]" 1
63 1 20 LEU H 1 21 GLY H . . 4.660 4.502 4.426 4.573 . 0 0 "[ . 1 . 2]" 1
64 1 20 LEU HA 1 20 LEU MD1 . . 4.150 3.768 2.707 3.888 . 0 0 "[ . 1 . 2]" 1
65 1 20 LEU HA 1 20 LEU QD . . 3.150 2.167 2.018 2.645 . 0 0 "[ . 1 . 2]" 1
66 1 20 LEU HA 1 20 LEU MD2 . . 4.150 2.231 2.025 3.716 . 0 0 "[ . 1 . 2]" 1
67 1 20 LEU HA 1 21 GLY H . . 2.950 2.407 2.276 2.530 . 0 0 "[ . 1 . 2]" 1
68 1 20 LEU HA 1 62 VAL H . . 5.100 4.282 3.824 4.554 . 0 0 "[ . 1 . 2]" 1
69 1 20 LEU HA 1 63 GLU HA . . 3.630 2.852 2.616 3.208 . 0 0 "[ . 1 . 2]" 1
70 1 20 LEU HA 1 64 TYR H . . 4.360 3.825 3.511 4.076 . 0 0 "[ . 1 . 2]" 1
71 1 20 LEU HB2 1 20 LEU QD . . 3.090 2.214 2.055 2.314 . 0 0 "[ . 1 . 2]" 1
72 1 20 LEU HB2 1 21 GLY H . . 4.150 3.833 3.546 4.080 . 0 0 "[ . 1 . 2]" 1
73 1 20 LEU HB3 1 20 LEU MD1 . . 3.510 2.437 2.271 3.177 . 0 0 "[ . 1 . 2]" 1
74 1 20 LEU HB3 1 20 LEU MD2 . . 3.510 2.263 2.177 2.355 . 0 0 "[ . 1 . 2]" 1
75 1 20 LEU HB3 1 21 GLY H . . 3.880 2.487 2.148 2.790 . 0 0 "[ . 1 . 2]" 1
76 1 20 LEU HB3 1 61 MET QB . . 4.660 4.486 3.561 5.096 0.436 19 0 "[ . 1 . 2]" 1
77 1 20 LEU HB3 1 61 MET QG . . 4.840 3.477 2.379 4.157 . 0 0 "[ . 1 . 2]" 1
78 1 20 LEU QD 1 21 GLY H . . 3.780 2.640 2.040 3.729 . 0 0 "[ . 1 . 2]" 1
79 1 20 LEU QD 1 61 MET QB . . 3.690 2.789 1.978 3.364 . 0 0 "[ . 1 . 2]" 1
80 1 20 LEU QD 1 61 MET QG . . 3.740 2.840 1.977 3.338 . 0 0 "[ . 1 . 2]" 1
81 1 20 LEU QD 1 62 VAL H . . 4.520 3.094 2.532 4.046 . 0 0 "[ . 1 . 2]" 1
82 1 20 LEU QD 1 63 GLU H . . 4.650 3.964 3.539 4.563 . 0 0 "[ . 1 . 2]" 1
83 1 20 LEU QD 1 63 GLU HA . . 3.550 2.593 2.017 3.329 . 0 0 "[ . 1 . 2]" 1
84 1 20 LEU QD 1 63 GLU HB2 . . 3.860 3.164 2.665 3.720 . 0 0 "[ . 1 . 2]" 1
85 1 20 LEU QD 1 63 GLU HB3 . . 4.330 4.263 3.840 4.635 0.305 7 0 "[ . 1 . 2]" 1
86 1 20 LEU QD 1 63 GLU QG . . 4.000 2.562 1.975 3.592 . 0 0 "[ . 1 . 2]" 1
87 1 20 LEU QD 1 64 TYR H . . 4.620 4.171 3.602 4.619 . 0 0 "[ . 1 . 2]" 1
88 1 20 LEU QD 1 82 THR MG . . 2.970 1.955 1.771 2.184 . 0 0 "[ . 1 . 2]" 1
89 1 20 LEU MD1 1 21 GLY H . . 4.660 4.288 3.994 4.590 . 0 0 "[ . 1 . 2]" 1
90 1 20 LEU MD1 1 61 MET QB . . 4.250 3.921 3.390 4.238 . 0 0 "[ . 1 . 2]" 1
91 1 20 LEU MD1 1 61 MET QG . . 4.490 3.488 3.058 4.230 . 0 0 "[ . 1 . 2]" 1
92 1 20 LEU MD1 1 62 VAL H . . 5.240 5.130 4.721 5.239 . 0 0 "[ . 1 . 2]" 1
93 1 20 LEU MD2 1 21 GLY H . . 4.660 2.681 2.046 4.007 . 0 0 "[ . 1 . 2]" 1
94 1 20 LEU MD2 1 61 MET QB . . 4.250 2.870 1.981 3.578 . 0 0 "[ . 1 . 2]" 1
95 1 20 LEU MD2 1 61 MET QG . . 4.490 3.086 1.980 3.741 . 0 0 "[ . 1 . 2]" 1
96 1 20 LEU MD2 1 62 VAL H . . 5.240 3.126 2.542 4.213 . 0 0 "[ . 1 . 2]" 1
97 1 20 LEU HG 1 63 GLU HA . . 4.660 4.219 3.617 4.616 . 0 0 "[ . 1 . 2]" 1
98 1 21 GLY H 1 61 MET QG . . 5.390 3.728 3.122 4.269 . 0 0 "[ . 1 . 2]" 1
99 1 21 GLY H 1 62 VAL MG2 . . 3.560 3.279 2.821 3.617 0.057 8 0 "[ . 1 . 2]" 1
100 1 21 GLY H 1 63 GLU HA . . 4.360 4.376 4.099 4.618 0.258 10 0 "[ . 1 . 2]" 1
101 1 21 GLY H 1 64 TYR QD . . 4.360 4.355 3.909 4.625 0.265 6 0 "[ . 1 . 2]" 1
102 1 21 GLY H 1 64 TYR QE . . 4.150 3.488 3.013 3.963 . 0 0 "[ . 1 . 2]" 1
103 1 21 GLY QA 1 22 TYR HB2 . . 4.830 4.388 4.301 4.461 . 0 0 "[ . 1 . 2]" 1
104 1 21 GLY QA 1 22 TYR QD . . 4.270 3.652 3.301 3.990 . 0 0 "[ . 1 . 2]" 1
105 1 21 GLY QA 1 33 ILE MG . . 3.180 2.101 2.003 2.234 . 0 0 "[ . 1 . 2]" 1
106 1 21 GLY QA 1 64 TYR QE . . 3.700 2.324 2.087 2.617 . 0 0 "[ . 1 . 2]" 1
107 1 21 GLY HA2 1 22 TYR H . . 3.510 2.679 2.499 2.860 . 0 0 "[ . 1 . 2]" 1
108 1 21 GLY HA2 1 33 ILE MG . . 3.880 3.328 3.153 3.552 . 0 0 "[ . 1 . 2]" 1
109 1 21 GLY HA2 1 64 TYR QE . . 4.360 3.656 3.215 3.921 . 0 0 "[ . 1 . 2]" 1
110 1 21 GLY HA3 1 22 TYR H . . 3.510 2.457 2.305 2.629 . 0 0 "[ . 1 . 2]" 1
111 1 21 GLY HA3 1 33 ILE MG . . 3.880 2.125 2.023 2.258 . 0 0 "[ . 1 . 2]" 1
112 1 21 GLY HA3 1 64 TYR QE . . 4.360 2.352 2.107 2.667 . 0 0 "[ . 1 . 2]" 1
113 1 22 TYR H 1 22 TYR HB2 . . 3.780 2.840 2.695 2.953 . 0 0 "[ . 1 . 2]" 1
114 1 22 TYR H 1 22 TYR HB3 . . 4.150 3.878 3.796 3.935 . 0 0 "[ . 1 . 2]" 1
115 1 22 TYR H 1 22 TYR QD . . 3.700 3.312 2.823 3.644 . 0 0 "[ . 1 . 2]" 1
116 1 22 TYR H 1 33 ILE MG . . 3.370 2.106 1.903 2.491 . 0 0 "[ . 1 . 2]" 1
117 1 22 TYR H 1 34 GLU H . . 3.780 3.000 2.716 3.415 . 0 0 "[ . 1 . 2]" 1
118 1 22 TYR H 1 34 GLU HB2 . . 5.050 4.315 3.564 4.843 . 0 0 "[ . 1 . 2]" 1
119 1 22 TYR H 1 34 GLU QB . . 4.380 3.921 3.271 4.248 . 0 0 "[ . 1 . 2]" 1
120 1 22 TYR H 1 34 GLU HB3 . . 5.050 4.518 3.807 5.151 0.101 5 0 "[ . 1 . 2]" 1
121 1 22 TYR HA 1 22 TYR QD . . 4.000 2.631 2.324 2.958 . 0 0 "[ . 1 . 2]" 1
122 1 22 TYR HA 1 23 VAL H . . 3.100 2.170 2.145 2.216 . 0 0 "[ . 1 . 2]" 1
123 1 22 TYR HA 1 23 VAL HB . . 5.050 4.742 4.669 4.854 . 0 0 "[ . 1 . 2]" 1
124 1 22 TYR HA 1 23 VAL MG2 . . 4.150 3.635 3.540 3.757 . 0 0 "[ . 1 . 2]" 1
125 1 22 TYR HA 1 33 ILE MG . . 4.500 3.846 3.571 3.998 . 0 0 "[ . 1 . 2]" 1
126 1 22 TYR HA 1 61 MET HA . . 3.780 2.940 2.660 3.264 . 0 0 "[ . 1 . 2]" 1
127 1 22 TYR HA 1 61 MET QG . . 5.350 3.826 3.437 4.112 . 0 0 "[ . 1 . 2]" 1
128 1 22 TYR HA 1 62 VAL H . . 4.150 4.003 3.789 4.144 . 0 0 "[ . 1 . 2]" 1
129 1 22 TYR HA 1 62 VAL MG2 . . 4.360 3.540 3.279 3.835 . 0 0 "[ . 1 . 2]" 1
130 1 22 TYR HB2 1 23 VAL H . . 5.020 4.047 3.884 4.157 . 0 0 "[ . 1 . 2]" 1
131 1 22 TYR HB2 1 34 GLU HB2 . . 4.790 3.741 3.195 4.155 . 0 0 "[ . 1 . 2]" 1
132 1 22 TYR HB2 1 34 GLU QB . . 4.130 3.403 2.988 3.845 . 0 0 "[ . 1 . 2]" 1
133 1 22 TYR HB2 1 34 GLU HB3 . . 4.790 3.953 3.257 4.558 . 0 0 "[ . 1 . 2]" 1
134 1 22 TYR HB3 1 23 VAL H . . 4.000 3.186 2.968 3.347 . 0 0 "[ . 1 . 2]" 1
135 1 22 TYR HB3 1 34 GLU HB2 . . 5.500 5.171 4.689 5.651 0.151 13 0 "[ . 1 . 2]" 1
136 1 22 TYR HB3 1 34 GLU HB3 . . 5.500 5.625 4.733 6.266 0.766 13 5 "[ * * 1 + - *]" 1
137 1 22 TYR QD 1 23 VAL H . . 4.660 4.150 3.937 4.384 . 0 0 "[ . 1 . 2]" 1
138 1 22 TYR QD 1 36 ALA HA . . 4.360 3.969 3.128 4.329 . 0 0 "[ . 1 . 2]" 1
139 1 22 TYR QD 1 61 MET H . . 4.660 4.557 4.283 4.659 . 0 0 "[ . 1 . 2]" 1
140 1 22 TYR QD 1 61 MET HA . . 4.360 3.097 2.704 3.516 . 0 0 "[ . 1 . 2]" 1
141 1 22 TYR QD 1 61 MET QB . . 5.500 4.291 4.007 4.629 . 0 0 "[ . 1 . 2]" 1
142 1 22 TYR QD 1 61 MET ME . . 4.000 3.184 2.378 3.949 . 0 0 "[ . 1 . 2]" 1
143 1 22 TYR QD 1 61 MET QG . . 4.190 2.377 2.107 2.813 . 0 0 "[ . 1 . 2]" 1
144 1 22 TYR QE 1 36 ALA HA . . 3.630 3.172 2.214 3.543 . 0 0 "[ . 1 . 2]" 1
145 1 22 TYR QE 1 36 ALA MB . . 4.150 3.470 2.548 4.138 . 0 0 "[ . 1 . 2]" 1
146 1 22 TYR QE 1 61 MET QB . . 5.190 4.230 4.009 4.509 . 0 0 "[ . 1 . 2]" 1
147 1 22 TYR QE 1 61 MET ME . . 3.560 2.587 2.007 3.310 . 0 0 "[ . 1 . 2]" 1
148 1 22 TYR QE 1 61 MET QG . . 4.230 2.215 1.962 2.619 . 0 0 "[ . 1 . 2]" 1
149 1 23 VAL H 1 23 VAL HB . . 3.370 2.614 2.561 2.676 . 0 0 "[ . 1 . 2]" 1
150 1 23 VAL H 1 23 VAL MG1 . . 3.790 3.763 3.758 3.766 . 0 0 "[ . 1 . 2]" 1
151 1 23 VAL H 1 23 VAL MG2 . . 3.120 2.075 1.922 2.222 . 0 0 "[ . 1 . 2]" 1
152 1 23 VAL H 1 33 ILE MG . . 4.810 4.342 4.010 4.629 . 0 0 "[ . 1 . 2]" 1
153 1 23 VAL H 1 60 ASP H . . 4.360 3.716 3.060 4.157 . 0 0 "[ . 1 . 2]" 1
154 1 23 VAL H 1 61 MET HA . . 4.660 4.104 3.791 4.450 . 0 0 "[ . 1 . 2]" 1
155 1 23 VAL H 1 62 VAL MG2 . . 4.660 3.719 3.336 4.141 . 0 0 "[ . 1 . 2]" 1
156 1 23 VAL HA 1 23 VAL MG1 . . 3.240 2.305 2.238 2.383 . 0 0 "[ . 1 . 2]" 1
157 1 23 VAL HA 1 23 VAL MG2 . . 3.260 2.358 2.299 2.406 . 0 0 "[ . 1 . 2]" 1
158 1 23 VAL HA 1 24 ALA H . . 3.150 2.159 2.140 2.189 . 0 0 "[ . 1 . 2]" 1
159 1 23 VAL HA 1 24 ALA MB . . 4.000 4.000 3.925 4.069 0.069 12 0 "[ . 1 . 2]" 1
160 1 23 VAL HA 1 25 THR H . . 4.120 3.855 3.671 4.119 . 0 0 "[ . 1 . 2]" 1
161 1 23 VAL HA 1 33 ILE HA . . 3.700 2.882 2.647 3.181 . 0 0 "[ . 1 . 2]" 1
162 1 23 VAL HA 1 33 ILE MD . . 4.950 4.772 4.296 4.926 . 0 0 "[ . 1 . 2]" 1
163 1 23 VAL HA 1 33 ILE MG . . 4.270 3.843 3.569 4.178 . 0 0 "[ . 1 . 2]" 1
164 1 23 VAL HA 1 34 GLU H . . 4.360 4.032 3.824 4.339 . 0 0 "[ . 1 . 2]" 1
165 1 23 VAL HB 1 58 LEU HA . . 4.000 2.325 2.086 2.605 . 0 0 "[ . 1 . 2]" 1
166 1 23 VAL HB 1 58 LEU MD2 . . 4.360 3.447 2.933 3.838 . 0 0 "[ . 1 . 2]" 1
167 1 23 VAL HB 1 59 GLY H . . 3.450 2.162 1.963 2.483 . 0 0 "[ . 1 . 2]" 1
168 1 23 VAL HB 1 60 ASP H . . 3.780 3.088 2.616 3.416 . 0 0 "[ . 1 . 2]" 1
169 1 23 VAL MG1 1 24 ALA H . . 3.780 2.911 2.584 3.230 . 0 0 "[ . 1 . 2]" 1
170 1 23 VAL MG1 1 24 ALA MB . . 4.360 4.146 4.029 4.331 . 0 0 "[ . 1 . 2]" 1
171 1 23 VAL MG1 1 25 THR H . . 3.700 2.846 2.528 3.415 . 0 0 "[ . 1 . 2]" 1
172 1 23 VAL MG1 1 25 THR HA . . 4.360 3.726 3.562 4.036 . 0 0 "[ . 1 . 2]" 1
173 1 23 VAL MG1 1 26 LEU H . . 5.050 3.912 3.516 4.157 . 0 0 "[ . 1 . 2]" 1
174 1 23 VAL MG1 1 26 LEU QD . . 3.320 2.059 1.864 2.331 . 0 0 "[ . 1 . 2]" 1
175 1 23 VAL MG1 1 26 LEU HG . . 3.910 2.070 1.937 2.388 . 0 0 "[ . 1 . 2]" 1
176 1 23 VAL MG1 1 32 PHE H . . 5.370 3.509 3.187 3.744 . 0 0 "[ . 1 . 2]" 1
177 1 23 VAL MG1 1 44 PHE QE . . 4.150 4.142 3.623 4.404 0.254 20 0 "[ . 1 . 2]" 1
178 1 23 VAL MG1 1 56 LEU QD . . 3.860 3.360 3.126 3.634 . 0 0 "[ . 1 . 2]" 1
179 1 23 VAL MG1 1 58 LEU HA . . 3.510 2.422 2.158 2.725 . 0 0 "[ . 1 . 2]" 1
180 1 23 VAL MG1 1 58 LEU MD2 . . 3.000 2.095 1.881 2.538 . 0 0 "[ . 1 . 2]" 1
181 1 23 VAL MG1 1 58 LEU HG . . 4.660 3.936 2.911 4.326 . 0 0 "[ . 1 . 2]" 1
182 1 23 VAL MG1 1 59 GLY H . . 3.780 3.492 3.242 3.726 . 0 0 "[ . 1 . 2]" 1
183 1 23 VAL MG2 1 24 ALA H . . 4.360 4.171 4.063 4.244 . 0 0 "[ . 1 . 2]" 1
184 1 23 VAL MG2 1 33 ILE HA . . 4.660 4.464 4.329 4.661 0.001 5 0 "[ . 1 . 2]" 1
185 1 23 VAL MG2 1 33 ILE QG . . 4.560 3.435 2.879 3.625 . 0 0 "[ . 1 . 2]" 1
186 1 23 VAL MG2 1 44 PHE QE . . 4.360 4.337 3.929 4.601 0.241 2 0 "[ . 1 . 2]" 1
187 1 23 VAL MG2 1 44 PHE HZ . . 4.660 4.217 3.913 4.628 . 0 0 "[ . 1 . 2]" 1
188 1 23 VAL MG2 1 56 LEU HB3 . . 4.150 3.277 2.874 3.685 . 0 0 "[ . 1 . 2]" 1
189 1 23 VAL MG2 1 56 LEU QD . . 3.000 2.284 1.989 2.663 . 0 0 "[ . 1 . 2]" 1
190 1 23 VAL MG2 1 60 ASP H . . 4.150 3.149 2.417 3.599 . 0 0 "[ . 1 . 2]" 1
191 1 23 VAL MG2 1 60 ASP HB2 . . 4.360 2.851 2.207 3.492 . 0 0 "[ . 1 . 2]" 1
192 1 23 VAL MG2 1 60 ASP QB . . 3.510 2.629 2.173 2.990 . 0 0 "[ . 1 . 2]" 1
193 1 23 VAL MG2 1 60 ASP HB3 . . 4.360 3.225 2.697 3.764 . 0 0 "[ . 1 . 2]" 1
194 1 23 VAL MG2 1 62 VAL HB . . 5.100 4.715 4.423 5.021 . 0 0 "[ . 1 . 2]" 1
195 1 23 VAL MG2 1 62 VAL MG1 . . 3.020 2.541 2.272 2.968 . 0 0 "[ . 1 . 2]" 1
196 1 23 VAL MG2 1 62 VAL MG2 . . 3.260 2.897 2.552 3.192 . 0 0 "[ . 1 . 2]" 1
197 1 23 VAL MG2 1 79 VAL MG1 . . 4.750 4.960 4.597 5.169 0.419 20 0 "[ . 1 . 2]" 1
198 1 24 ALA H 1 24 ALA MB . . 3.200 2.217 2.045 2.350 . 0 0 "[ . 1 . 2]" 1
199 1 24 ALA H 1 25 THR H . . 3.150 2.400 2.075 2.739 . 0 0 "[ . 1 . 2]" 1
200 1 24 ALA H 1 33 ILE HA . . 3.700 2.569 2.247 2.863 . 0 0 "[ . 1 . 2]" 1
201 1 24 ALA H 1 33 ILE MG . . 4.660 4.259 3.996 4.541 . 0 0 "[ . 1 . 2]" 1
202 1 24 ALA H 1 34 GLU H . . 4.440 3.237 2.681 3.651 . 0 0 "[ . 1 . 2]" 1
203 1 24 ALA HA 1 58 LEU MD2 . . 4.360 3.921 3.306 4.540 0.180 7 0 "[ . 1 . 2]" 1
204 1 24 ALA MB 1 25 THR H . . 3.460 2.560 2.262 2.853 . 0 0 "[ . 1 . 2]" 1
205 1 24 ALA MB 1 25 THR HB . . 4.660 3.821 3.672 4.143 . 0 0 "[ . 1 . 2]" 1
206 1 24 ALA MB 1 32 PHE HB2 . . 4.110 2.891 2.451 3.311 . 0 0 "[ . 1 . 2]" 1
207 1 24 ALA MB 1 32 PHE QB . . 3.550 2.590 2.310 2.968 . 0 0 "[ . 1 . 2]" 1
208 1 24 ALA MB 1 32 PHE HB3 . . 4.110 2.967 2.485 3.432 . 0 0 "[ . 1 . 2]" 1
209 1 24 ALA MB 1 33 ILE HA . . 4.000 3.220 2.883 3.484 . 0 0 "[ . 1 . 2]" 1
210 1 24 ALA MB 1 33 ILE MG . . 4.660 4.403 4.212 4.558 . 0 0 "[ . 1 . 2]" 1
211 1 24 ALA MB 1 34 GLU H . . 3.830 2.745 2.423 2.993 . 0 0 "[ . 1 . 2]" 1
212 1 24 ALA MB 1 34 GLU HA . . 4.660 3.680 3.371 4.062 . 0 0 "[ . 1 . 2]" 1
213 1 24 ALA MB 1 34 GLU QB . . 3.090 2.222 1.957 2.704 . 0 0 "[ . 1 . 2]" 1
214 1 24 ALA MB 1 34 GLU HG2 . . 4.000 3.730 3.394 3.945 . 0 0 "[ . 1 . 2]" 1
215 1 24 ALA MB 1 34 GLU QG . . 3.510 2.570 2.058 3.306 . 0 0 "[ . 1 . 2]" 1
216 1 24 ALA MB 1 34 GLU HG3 . . 4.000 2.682 2.075 3.997 . 0 0 "[ . 1 . 2]" 1
217 1 24 ALA MB 1 41 GLU HB3 . . 4.630 4.575 3.670 4.947 0.317 13 0 "[ . 1 . 2]" 1
218 1 24 ALA MB 1 41 GLU QG . . 3.880 4.255 3.051 4.770 0.890 8 10 "[ .* + ***-** * *]" 1
219 1 25 THR H 1 25 THR HB . . 3.700 2.966 2.852 3.094 . 0 0 "[ . 1 . 2]" 1
220 1 25 THR H 1 25 THR MG . . 4.150 3.979 3.935 4.033 . 0 0 "[ . 1 . 2]" 1
221 1 25 THR H 1 32 PHE H . . 3.560 2.870 2.638 3.102 . 0 0 "[ . 1 . 2]" 1
222 1 25 THR H 1 32 PHE QB . . 3.980 2.623 2.188 2.931 . 0 0 "[ . 1 . 2]" 1
223 1 25 THR H 1 58 LEU MD2 . . 4.360 3.779 3.378 4.304 . 0 0 "[ . 1 . 2]" 1
224 1 25 THR HA 1 25 THR MG . . 3.330 2.258 2.060 2.360 . 0 0 "[ . 1 . 2]" 1
225 1 25 THR HA 1 26 LEU H . . 2.890 2.197 2.146 2.245 . 0 0 "[ . 1 . 2]" 1
226 1 25 THR HA 1 58 LEU MD1 . . 4.150 3.871 3.386 4.347 0.197 20 0 "[ . 1 . 2]" 1
227 1 25 THR HA 1 58 LEU MD2 . . 3.260 2.410 1.944 2.910 . 0 0 "[ . 1 . 2]" 1
228 1 25 THR HB 1 26 LEU H . . 4.660 3.966 3.818 4.140 . 0 0 "[ . 1 . 2]" 1
229 1 25 THR HB 1 32 PHE H . . 3.930 3.656 3.280 3.917 . 0 0 "[ . 1 . 2]" 1
230 1 25 THR HB 1 32 PHE QB . . 3.220 2.456 2.055 2.947 . 0 0 "[ . 1 . 2]" 1
231 1 25 THR HB 1 32 PHE QD . . 3.510 2.212 2.007 2.518 . 0 0 "[ . 1 . 2]" 1
232 1 25 THR HB 1 32 PHE QE . . 4.630 4.208 3.885 4.334 . 0 0 "[ . 1 . 2]" 1
233 1 25 THR MG 1 26 LEU H . . 3.260 2.255 1.993 2.734 . 0 0 "[ . 1 . 2]" 1
234 1 25 THR MG 1 26 LEU HA . . 4.600 3.794 3.606 4.142 . 0 0 "[ . 1 . 2]" 1
235 1 25 THR MG 1 27 LYS H . . 4.280 3.829 3.410 4.317 0.037 5 0 "[ . 1 . 2]" 1
236 1 25 THR MG 1 27 LYS HA . . 5.040 4.160 3.876 4.601 . 0 0 "[ . 1 . 2]" 1
237 1 25 THR MG 1 27 LYS HD2 . . 4.360 3.757 3.226 4.360 0.000 15 0 "[ . 1 . 2]" 1
238 1 25 THR MG 1 27 LYS QD . . 3.560 2.593 1.929 3.511 . 0 0 "[ . 1 . 2]" 1
239 1 25 THR MG 1 27 LYS HD3 . . 4.360 2.772 1.939 4.333 . 0 0 "[ . 1 . 2]" 1
240 1 25 THR MG 1 27 LYS HE2 . . 3.780 2.916 2.124 3.757 . 0 0 "[ . 1 . 2]" 1
241 1 25 THR MG 1 27 LYS QE . . 3.150 2.497 2.025 3.111 . 0 0 "[ . 1 . 2]" 1
242 1 25 THR MG 1 27 LYS HE3 . . 3.780 3.016 2.070 3.718 . 0 0 "[ . 1 . 2]" 1
243 1 25 THR MG 1 27 LYS QG . . 3.330 2.503 2.142 2.935 . 0 0 "[ . 1 . 2]" 1
244 1 25 THR MG 1 31 GLY HA2 . . 4.660 4.307 3.876 4.631 . 0 0 "[ . 1 . 2]" 1
245 1 25 THR MG 1 32 PHE H . . 4.880 4.545 4.248 4.909 0.029 5 0 "[ . 1 . 2]" 1
246 1 25 THR MG 1 32 PHE QB . . 4.560 3.988 3.606 4.413 . 0 0 "[ . 1 . 2]" 1
247 1 25 THR MG 1 32 PHE QD . . 3.560 3.126 2.547 3.521 . 0 0 "[ . 1 . 2]" 1
248 1 25 THR MG 1 32 PHE QE . . 4.360 4.027 3.526 4.314 . 0 0 "[ . 1 . 2]" 1
249 1 25 THR MG 1 58 LEU MD2 . . 4.360 3.607 3.083 3.983 . 0 0 "[ . 1 . 2]" 1
250 1 26 LEU H 1 26 LEU HB2 . . 3.700 2.449 2.315 2.498 . 0 0 "[ . 1 . 2]" 1
251 1 26 LEU H 1 26 LEU QB . . 3.180 2.401 2.279 2.445 . 0 0 "[ . 1 . 2]" 1
252 1 26 LEU H 1 26 LEU HB3 . . 3.700 3.461 3.344 3.608 . 0 0 "[ . 1 . 2]" 1
253 1 26 LEU H 1 26 LEU MD1 . . 4.630 4.182 3.867 4.368 . 0 0 "[ . 1 . 2]" 1
254 1 26 LEU H 1 26 LEU QD . . 3.990 3.817 3.656 3.898 . 0 0 "[ . 1 . 2]" 1
255 1 26 LEU H 1 26 LEU MD2 . . 4.630 4.420 4.337 4.525 . 0 0 "[ . 1 . 2]" 1
256 1 26 LEU H 1 58 LEU MD1 . . 5.150 4.086 3.204 4.498 . 0 0 "[ . 1 . 2]" 1
257 1 26 LEU H 1 58 LEU MD2 . . 3.510 2.557 1.973 3.017 . 0 0 "[ . 1 . 2]" 1
258 1 26 LEU HA 1 26 LEU QD . . 3.400 2.278 2.024 2.458 . 0 0 "[ . 1 . 2]" 1
259 1 26 LEU HA 1 27 LYS H . . 3.130 2.160 2.139 2.189 . 0 0 "[ . 1 . 2]" 1
260 1 26 LEU HA 1 31 GLY HA2 . . 4.660 2.689 2.428 2.911 . 0 0 "[ . 1 . 2]" 1
261 1 26 LEU HA 1 31 GLY HA3 . . 4.660 3.253 2.894 3.508 . 0 0 "[ . 1 . 2]" 1
262 1 26 LEU QB 1 26 LEU QD . . 2.790 1.877 1.818 1.923 . 0 0 "[ . 1 . 2]" 1
263 1 26 LEU QB 1 56 LEU HB3 . . 5.040 4.927 4.725 5.025 . 0 0 "[ . 1 . 2]" 1
264 1 26 LEU QB 1 58 LEU MD2 . . 4.560 2.425 1.974 3.378 . 0 0 "[ . 1 . 2]" 1
265 1 26 LEU QD 1 27 LYS H . . 4.330 3.171 2.731 3.618 . 0 0 "[ . 1 . 2]" 1
266 1 26 LEU QD 1 31 GLY HA2 . . 4.130 3.479 2.974 3.805 . 0 0 "[ . 1 . 2]" 1
267 1 26 LEU QD 1 31 GLY HA3 . . 3.980 2.945 2.434 3.447 . 0 0 "[ . 1 . 2]" 1
268 1 26 LEU QD 1 32 PHE H . . 4.130 4.248 3.832 4.612 0.482 16 0 "[ . 1 . 2]" 1
269 1 26 LEU QD 1 44 PHE QE . . 3.980 3.747 3.350 3.980 . 0 0 "[ . 1 . 2]" 1
270 1 26 LEU QD 1 44 PHE HZ . . 3.620 3.029 2.477 3.453 . 0 0 "[ . 1 . 2]" 1
271 1 26 LEU QD 1 56 LEU HB3 . . 3.720 2.048 1.945 2.166 . 0 0 "[ . 1 . 2]" 1
272 1 26 LEU QD 1 56 LEU QD . . 3.190 2.644 2.181 2.842 . 0 0 "[ . 1 . 2]" 1
273 1 26 LEU QD 1 57 GLU HA . . 3.860 2.578 2.046 3.251 . 0 0 "[ . 1 . 2]" 1
274 1 26 LEU QD 1 58 LEU H . . 3.980 3.660 2.974 3.973 . 0 0 "[ . 1 . 2]" 1
275 1 26 LEU QD 1 58 LEU HA . . 4.330 3.617 3.184 3.877 . 0 0 "[ . 1 . 2]" 1
276 1 26 LEU QD 1 58 LEU MD2 . . 3.140 2.738 2.036 3.126 . 0 0 "[ . 1 . 2]" 1
277 1 26 LEU QD 1 58 LEU HG . . 3.860 3.570 3.000 3.993 0.133 17 0 "[ . 1 . 2]" 1
278 1 26 LEU MD1 1 56 LEU HB2 . . 4.150 3.021 2.457 3.422 . 0 0 "[ . 1 . 2]" 1
279 1 26 LEU MD1 1 56 LEU HB3 . . 4.360 2.073 1.977 2.207 . 0 0 "[ . 1 . 2]" 1
280 1 26 LEU MD2 1 56 LEU HB2 . . 4.150 3.321 2.413 3.883 . 0 0 "[ . 1 . 2]" 1
281 1 26 LEU MD2 1 56 LEU HB3 . . 4.360 3.245 2.676 3.718 . 0 0 "[ . 1 . 2]" 1
282 1 26 LEU HG 1 27 LYS H . . 4.920 4.574 4.369 4.745 . 0 0 "[ . 1 . 2]" 1
283 1 26 LEU HG 1 31 GLY HA2 . . 5.380 4.366 4.047 4.737 . 0 0 "[ . 1 . 2]" 1
284 1 26 LEU HG 1 32 PHE H . . 5.410 4.258 3.927 4.684 . 0 0 "[ . 1 . 2]" 1
285 1 26 LEU HG 1 58 LEU MD2 . . 4.000 3.533 3.075 3.960 . 0 0 "[ . 1 . 2]" 1
286 1 27 LYS H 1 27 LYS HB2 . . 3.880 2.586 2.467 2.718 . 0 0 "[ . 1 . 2]" 1
287 1 27 LYS H 1 27 LYS QB . . 3.370 2.538 2.428 2.661 . 0 0 "[ . 1 . 2]" 1
288 1 27 LYS H 1 27 LYS HB3 . . 3.880 3.685 3.625 3.785 . 0 0 "[ . 1 . 2]" 1
289 1 27 LYS H 1 27 LYS QG . . 3.730 2.428 2.172 2.625 . 0 0 "[ . 1 . 2]" 1
290 1 27 LYS H 1 30 PHE H . . 4.660 3.851 3.658 4.003 . 0 0 "[ . 1 . 2]" 1
291 1 27 LYS H 1 31 GLY HA2 . . 4.000 2.750 2.551 2.942 . 0 0 "[ . 1 . 2]" 1
292 1 27 LYS H 1 31 GLY HA3 . . 4.360 3.923 3.638 4.124 . 0 0 "[ . 1 . 2]" 1
293 1 27 LYS HA 1 27 LYS HD2 . . 4.150 2.862 2.031 4.138 . 0 0 "[ . 1 . 2]" 1
294 1 27 LYS HA 1 27 LYS HD3 . . 4.150 2.872 2.451 3.133 . 0 0 "[ . 1 . 2]" 1
295 1 27 LYS QB 1 30 PHE H . . 4.560 2.319 2.221 2.406 . 0 0 "[ . 1 . 2]" 1
296 1 27 LYS QB 1 30 PHE QD . . 4.560 3.414 3.185 3.585 . 0 0 "[ . 1 . 2]" 1
297 1 27 LYS QB 1 30 PHE QE . . 4.560 3.604 3.361 3.813 . 0 0 "[ . 1 . 2]" 1
298 1 27 LYS HD2 1 30 PHE QE . . 4.710 4.657 3.411 5.237 0.527 5 3 "[ + 1- . *]" 1
299 1 27 LYS HD3 1 30 PHE QE . . 4.710 4.969 4.694 5.235 0.525 15 2 "[ . 1 + -2]" 1
300 1 27 LYS QG 1 30 PHE QE . . 3.780 2.421 2.121 2.801 . 0 0 "[ . 1 . 2]" 1
301 1 27 LYS HG2 1 30 PHE QE . . 4.660 3.752 3.360 4.333 . 0 0 "[ . 1 . 2]" 1
302 1 27 LYS HG3 1 30 PHE QE . . 4.660 2.454 2.142 2.836 . 0 0 "[ . 1 . 2]" 1
303 1 28 ASP H 1 28 ASP HB2 . . 3.880 2.487 2.310 2.712 . 0 0 "[ . 1 . 2]" 1
304 1 28 ASP H 1 28 ASP HB3 . . 3.880 3.374 2.660 3.686 . 0 0 "[ . 1 . 2]" 1
305 1 29 ASN QB 1 30 PHE QD . . 4.000 2.547 2.354 2.874 . 0 0 "[ . 1 . 2]" 1
306 1 29 ASN HB2 1 30 PHE QD . . 4.660 4.079 2.771 4.487 . 0 0 "[ . 1 . 2]" 1
307 1 29 ASN HB3 1 30 PHE QD . . 4.660 2.653 2.378 4.409 . 0 0 "[ . 1 . 2]" 1
308 1 30 PHE H 1 30 PHE QD . . 4.150 3.274 3.147 3.347 . 0 0 "[ . 1 . 2]" 1
309 1 30 PHE HA 1 30 PHE QD . . 4.000 3.711 3.701 3.719 . 0 0 "[ . 1 . 2]" 1
310 1 30 PHE HA 1 31 GLY H . . 3.560 2.375 2.244 2.473 . 0 0 "[ . 1 . 2]" 1
311 1 30 PHE HA 1 45 HIS HA . . 3.700 3.193 2.890 3.666 . 0 0 "[ . 1 . 2]" 1
312 1 30 PHE HA 1 46 TYR H . . 3.560 3.202 2.981 3.489 . 0 0 "[ . 1 . 2]" 1
313 1 30 PHE QB 1 31 GLY H . . 3.510 2.483 2.259 2.817 . 0 0 "[ . 1 . 2]" 1
314 1 30 PHE QB 1 43 PHE HZ . . 4.360 3.403 3.103 3.698 . 0 0 "[ . 1 . 2]" 1
315 1 30 PHE QB 1 44 PHE H . . 4.200 3.877 3.611 4.146 . 0 0 "[ . 1 . 2]" 1
316 1 30 PHE QB 1 45 HIS H . . 4.660 4.861 4.617 5.154 0.494 6 0 "[ . 1 . 2]" 1
317 1 30 PHE QB 1 45 HIS HA . . 3.880 2.796 2.569 3.091 . 0 0 "[ . 1 . 2]" 1
318 1 30 PHE QB 1 46 TYR H . . 4.660 3.718 3.537 3.872 . 0 0 "[ . 1 . 2]" 1
319 1 30 PHE QD 1 31 GLY H . . 3.880 3.595 3.267 3.970 0.090 12 0 "[ . 1 . 2]" 1
320 1 30 PHE QD 1 31 GLY HA2 . . 4.360 3.423 3.187 3.745 . 0 0 "[ . 1 . 2]" 1
321 1 30 PHE QD 1 43 PHE HZ . . 4.150 3.610 3.140 4.061 . 0 0 "[ . 1 . 2]" 1
322 1 31 GLY H 1 44 PHE H . . 3.880 3.599 3.366 3.859 . 0 0 "[ . 1 . 2]" 1
323 1 31 GLY H 1 44 PHE QD . . 4.610 3.905 3.679 4.133 . 0 0 "[ . 1 . 2]" 1
324 1 31 GLY H 1 44 PHE QE . . 5.030 3.646 3.347 3.949 . 0 0 "[ . 1 . 2]" 1
325 1 31 GLY H 1 45 HIS HA . . 4.660 4.140 3.909 4.445 . 0 0 "[ . 1 . 2]" 1
326 1 31 GLY HA2 1 32 PHE H . . 3.460 2.522 2.354 2.681 . 0 0 "[ . 1 . 2]" 1
327 1 31 GLY HA3 1 32 PHE H . . 3.370 2.606 2.448 2.795 . 0 0 "[ . 1 . 2]" 1
328 1 31 GLY HA3 1 44 PHE QE . . 4.660 2.908 2.687 3.202 . 0 0 "[ . 1 . 2]" 1
329 1 32 PHE H 1 32 PHE QB . . 3.450 2.599 2.435 2.711 . 0 0 "[ . 1 . 2]" 1
330 1 32 PHE H 1 32 PHE QD . . 4.360 3.300 2.743 3.713 . 0 0 "[ . 1 . 2]" 1
331 1 32 PHE H 1 44 PHE QE . . 4.000 3.134 2.814 3.463 . 0 0 "[ . 1 . 2]" 1
332 1 32 PHE HA 1 32 PHE QD . . 4.150 2.764 2.418 3.109 . 0 0 "[ . 1 . 2]" 1
333 1 32 PHE HA 1 33 ILE H . . 3.150 2.253 2.167 2.381 . 0 0 "[ . 1 . 2]" 1
334 1 32 PHE HA 1 33 ILE HB . . 4.660 4.592 4.550 4.636 . 0 0 "[ . 1 . 2]" 1
335 1 32 PHE HA 1 43 PHE HA . . 3.880 3.373 3.154 3.540 . 0 0 "[ . 1 . 2]" 1
336 1 32 PHE HA 1 44 PHE H . . 4.150 3.883 3.615 4.083 . 0 0 "[ . 1 . 2]" 1
337 1 32 PHE HA 1 44 PHE QD . . 4.250 3.472 3.132 3.824 . 0 0 "[ . 1 . 2]" 1
338 1 32 PHE QB 1 33 ILE H . . 3.850 2.807 2.453 3.111 . 0 0 "[ . 1 . 2]" 1
339 1 32 PHE QB 1 41 GLU HB3 . . 3.720 3.243 2.525 3.712 . 0 0 "[ . 1 . 2]" 1
340 1 32 PHE QD 1 41 GLU HB3 . . 4.210 2.922 2.354 4.101 . 0 0 "[ . 1 . 2]" 1
341 1 32 PHE QD 1 43 PHE HA . . 4.000 3.485 3.138 3.935 . 0 0 "[ . 1 . 2]" 1
342 1 32 PHE QD 1 43 PHE QB . . 4.660 3.821 3.501 4.120 . 0 0 "[ . 1 . 2]" 1
343 1 32 PHE QE 1 41 GLU HB3 . . 4.660 4.547 3.848 5.448 0.788 8 3 "[ . +*1 - . 2]" 1
344 1 32 PHE QE 1 43 PHE QB . . 4.000 2.984 2.775 3.228 . 0 0 "[ . 1 . 2]" 1
345 1 32 PHE QE 1 43 PHE QD . . 4.430 2.690 2.081 3.232 . 0 0 "[ . 1 . 2]" 1
346 1 32 PHE HZ 1 43 PHE QD . . 4.660 3.070 2.606 3.434 . 0 0 "[ . 1 . 2]" 1
347 1 33 ILE H 1 33 ILE HB . . 3.460 2.683 2.618 2.779 . 0 0 "[ . 1 . 2]" 1
348 1 33 ILE H 1 33 ILE MD . . 4.150 3.919 3.782 4.074 . 0 0 "[ . 1 . 2]" 1
349 1 33 ILE H 1 33 ILE HG12 . . 4.560 4.048 3.878 4.210 . 0 0 "[ . 1 . 2]" 1
350 1 33 ILE H 1 33 ILE QG . . 3.760 2.764 2.627 2.927 . 0 0 "[ . 1 . 2]" 1
351 1 33 ILE H 1 33 ILE HG13 . . 4.560 2.814 2.669 2.986 . 0 0 "[ . 1 . 2]" 1
352 1 33 ILE H 1 33 ILE MG . . 4.360 3.869 3.843 3.903 . 0 0 "[ . 1 . 2]" 1
353 1 33 ILE H 1 42 ILE HB . . 4.360 2.666 2.106 3.140 . 0 0 "[ . 1 . 2]" 1
354 1 33 ILE H 1 44 PHE QD . . 4.360 3.993 3.685 4.229 . 0 0 "[ . 1 . 2]" 1
355 1 33 ILE HA 1 33 ILE MD . . 4.360 3.873 3.851 3.881 . 0 0 "[ . 1 . 2]" 1
356 1 33 ILE HA 1 33 ILE QG . . 3.740 2.454 2.428 2.471 . 0 0 "[ . 1 . 2]" 1
357 1 33 ILE HA 1 33 ILE MG . . 3.410 2.296 2.258 2.328 . 0 0 "[ . 1 . 2]" 1
358 1 33 ILE HA 1 34 GLU H . . 3.230 2.157 2.140 2.194 . 0 0 "[ . 1 . 2]" 1
359 1 33 ILE HA 1 44 PHE QD . . 4.660 5.420 5.284 5.601 0.941 7 20 [******+***-*********] 1
360 1 33 ILE HA 1 44 PHE QE . . 4.660 4.415 4.169 4.726 0.066 7 0 "[ . 1 . 2]" 1
361 1 33 ILE HB 1 33 ILE MD . . 3.370 2.340 2.215 2.408 . 0 0 "[ . 1 . 2]" 1
362 1 33 ILE HB 1 34 GLU H . . 4.660 4.171 4.023 4.340 . 0 0 "[ . 1 . 2]" 1
363 1 33 ILE HB 1 42 ILE H . . 4.660 3.539 2.931 4.174 . 0 0 "[ . 1 . 2]" 1
364 1 33 ILE HB 1 42 ILE HB . . 3.560 2.027 2.004 2.082 . 0 0 "[ . 1 . 2]" 1
365 1 33 ILE HB 1 42 ILE MG . . 3.880 3.365 2.959 3.628 . 0 0 "[ . 1 . 2]" 1
366 1 33 ILE HB 1 62 VAL MG2 . . 4.660 4.389 4.204 4.573 . 0 0 "[ . 1 . 2]" 1
367 1 33 ILE MD 1 33 ILE MG . . 3.010 2.066 1.945 2.246 . 0 0 "[ . 1 . 2]" 1
368 1 33 ILE MD 1 42 ILE HB . . 4.360 2.976 2.358 3.405 . 0 0 "[ . 1 . 2]" 1
369 1 33 ILE MD 1 42 ILE MG . . 4.000 2.878 2.680 3.121 . 0 0 "[ . 1 . 2]" 1
370 1 33 ILE MD 1 44 PHE HB2 . . 4.340 4.448 4.232 4.615 0.275 7 0 "[ . 1 . 2]" 1
371 1 33 ILE MD 1 44 PHE QB . . 3.480 3.310 3.124 3.483 0.003 7 0 "[ . 1 . 2]" 1
372 1 33 ILE MD 1 44 PHE HB3 . . 4.340 3.415 3.210 3.614 . 0 0 "[ . 1 . 2]" 1
373 1 33 ILE MD 1 44 PHE QD . . 3.630 2.653 2.344 2.935 . 0 0 "[ . 1 . 2]" 1
374 1 33 ILE MD 1 62 VAL MG2 . . 3.180 2.041 1.896 2.234 . 0 0 "[ . 1 . 2]" 1
375 1 33 ILE MD 1 64 TYR QB . . 4.430 3.056 2.804 3.335 . 0 0 "[ . 1 . 2]" 1
376 1 33 ILE MD 1 64 TYR QD . . 4.000 2.666 2.380 3.020 . 0 0 "[ . 1 . 2]" 1
377 1 33 ILE MD 1 76 ALA MB . . 3.150 2.901 2.492 3.066 . 0 0 "[ . 1 . 2]" 1
378 1 33 ILE MD 1 79 VAL MG1 . . 3.300 2.552 2.207 3.091 . 0 0 "[ . 1 . 2]" 1
379 1 33 ILE MD 1 79 VAL MG2 . . 3.460 2.864 2.588 3.039 . 0 0 "[ . 1 . 2]" 1
380 1 33 ILE QG 1 34 GLU H . . 4.940 4.159 4.049 4.258 . 0 0 "[ . 1 . 2]" 1
381 1 33 ILE QG 1 44 PHE QD . . 3.630 2.669 2.490 2.845 . 0 0 "[ . 1 . 2]" 1
382 1 33 ILE QG 1 62 VAL MG2 . . 4.070 2.474 2.169 2.736 . 0 0 "[ . 1 . 2]" 1
383 1 33 ILE HG12 1 44 PHE QD . . 4.360 4.211 3.983 4.359 . 0 0 "[ . 1 . 2]" 1
384 1 33 ILE HG12 1 44 PHE QE . . 4.260 3.271 2.820 3.657 . 0 0 "[ . 1 . 2]" 1
385 1 33 ILE HG13 1 44 PHE QD . . 4.360 2.699 2.516 2.884 . 0 0 "[ . 1 . 2]" 1
386 1 33 ILE HG13 1 44 PHE QE . . 4.260 2.287 2.011 2.679 . 0 0 "[ . 1 . 2]" 1
387 1 33 ILE MG 1 34 GLU H . . 3.370 2.456 2.205 2.859 . 0 0 "[ . 1 . 2]" 1
388 1 33 ILE MG 1 35 THR MG . . 4.630 3.644 3.355 3.843 . 0 0 "[ . 1 . 2]" 1
389 1 33 ILE MG 1 42 ILE HB . . 4.150 3.641 3.560 3.738 . 0 0 "[ . 1 . 2]" 1
390 1 33 ILE MG 1 42 ILE MD . . 4.000 4.392 4.337 4.410 0.410 13 0 "[ . 1 . 2]" 1
391 1 33 ILE MG 1 42 ILE MG . . 4.630 4.177 3.925 4.351 . 0 0 "[ . 1 . 2]" 1
392 1 33 ILE MG 1 44 PHE QD . . 5.030 5.082 4.915 5.307 0.277 3 0 "[ . 1 . 2]" 1
393 1 33 ILE MG 1 44 PHE QE . . 4.360 4.866 4.567 5.163 0.803 3 11 "[ + *** 1 * *.*-***]" 1
394 1 33 ILE MG 1 64 TYR QD . . 4.000 3.369 2.986 3.763 . 0 0 "[ . 1 . 2]" 1
395 1 33 ILE MG 1 64 TYR QE . . 3.740 2.419 2.038 2.838 . 0 0 "[ . 1 . 2]" 1
396 1 33 ILE MG 1 76 ALA MB . . 4.630 4.765 4.358 4.900 0.270 17 0 "[ . 1 . 2]" 1
397 1 34 GLU H 1 34 GLU QB . . 3.420 2.188 2.124 2.261 . 0 0 "[ . 1 . 2]" 1
398 1 34 GLU H 1 34 GLU QG . . 4.560 3.632 3.298 4.061 . 0 0 "[ . 1 . 2]" 1
399 1 34 GLU HA 1 35 THR H . . 3.100 2.166 2.138 2.373 . 0 0 "[ . 1 . 2]" 1
400 1 34 GLU HA 1 35 THR MG . . 4.150 3.731 3.485 4.029 . 0 0 "[ . 1 . 2]" 1
401 1 34 GLU QB 1 35 THR H . . 3.820 3.414 2.802 3.623 . 0 0 "[ . 1 . 2]" 1
402 1 34 GLU QG 1 38 HIS HA . . 4.420 2.969 2.568 3.254 . 0 0 "[ . 1 . 2]" 1
403 1 34 GLU HG2 1 35 THR H . . 4.660 3.646 2.945 4.622 . 0 0 "[ . 1 . 2]" 1
404 1 34 GLU HG3 1 35 THR H . . 4.660 4.103 2.621 4.658 . 0 0 "[ . 1 . 2]" 1
405 1 35 THR H 1 35 THR MG . . 3.260 2.327 1.993 2.662 . 0 0 "[ . 1 . 2]" 1
406 1 35 THR H 1 40 LYS H . . 4.000 4.159 4.007 4.249 0.249 13 0 "[ . 1 . 2]" 1
407 1 35 THR HA 1 35 THR MG . . 3.460 2.334 2.155 2.445 . 0 0 "[ . 1 . 2]" 1
408 1 35 THR HA 1 36 ALA H . . 3.410 2.425 2.272 2.641 . 0 0 "[ . 1 . 2]" 1
409 1 35 THR HB 1 36 ALA MB . . 5.010 3.857 3.697 4.093 . 0 0 "[ . 1 . 2]" 1
410 1 35 THR MG 1 36 ALA H . . 4.150 3.705 3.538 3.834 . 0 0 "[ . 1 . 2]" 1
411 1 35 THR MG 1 40 LYS H . . 3.700 3.538 3.319 3.673 . 0 0 "[ . 1 . 2]" 1
412 1 35 THR MG 1 40 LYS QB . . 3.510 3.034 2.676 3.293 . 0 0 "[ . 1 . 2]" 1
413 1 35 THR MG 1 42 ILE MD . . 3.330 2.887 2.610 3.073 . 0 0 "[ . 1 . 2]" 1
414 1 35 THR MG 1 42 ILE QG . . 4.070 2.926 2.716 3.125 . 0 0 "[ . 1 . 2]" 1
415 1 36 ALA H 1 36 ALA MB . . 3.410 2.123 2.023 2.230 . 0 0 "[ . 1 . 2]" 1
416 1 36 ALA MB 1 37 ASN H . . 4.360 2.809 2.684 2.932 . 0 0 "[ . 1 . 2]" 1
417 1 36 ALA MB 1 37 ASN HA . . 5.370 3.840 3.737 3.947 . 0 0 "[ . 1 . 2]" 1
418 1 36 ALA MB 1 37 ASN QB . . 4.560 4.214 3.838 4.549 . 0 0 "[ . 1 . 2]" 1
419 1 38 HIS H 1 39 ASP H . . 4.360 2.799 2.629 3.481 . 0 0 "[ . 1 . 2]" 1
420 1 38 HIS HA 1 39 ASP QB . . 5.340 4.716 4.245 5.111 . 0 0 "[ . 1 . 2]" 1
421 1 38 HIS HA 1 40 LYS H . . 4.660 3.943 3.703 4.308 . 0 0 "[ . 1 . 2]" 1
422 1 39 ASP H 1 40 LYS H . . 3.410 1.963 1.901 2.091 . 0 0 "[ . 1 . 2]" 1
423 1 39 ASP QB 1 40 LYS H . . 3.780 2.864 2.558 3.566 . 0 0 "[ . 1 . 2]" 1
424 1 39 ASP HB2 1 40 LYS H . . 4.360 3.612 2.792 4.030 . 0 0 "[ . 1 . 2]" 1
425 1 39 ASP HB3 1 40 LYS H . . 4.360 3.086 2.617 4.224 . 0 0 "[ . 1 . 2]" 1
426 1 40 LYS H 1 40 LYS HB2 . . 3.930 2.832 2.459 3.142 . 0 0 "[ . 1 . 2]" 1
427 1 40 LYS H 1 40 LYS QB . . 3.310 2.540 2.402 2.627 . 0 0 "[ . 1 . 2]" 1
428 1 40 LYS H 1 40 LYS HB3 . . 3.930 2.978 2.708 3.647 . 0 0 "[ . 1 . 2]" 1
429 1 40 LYS H 1 40 LYS QG . . 3.640 4.061 3.378 4.174 0.534 2 8 "[ + *.** 1 .** *-]" 1
430 1 40 LYS H 1 41 GLU H . . 4.660 4.435 4.372 4.481 . 0 0 "[ . 1 . 2]" 1
431 1 40 LYS H 1 41 GLU HA . . 4.900 4.847 4.757 4.894 . 0 0 "[ . 1 . 2]" 1
432 1 40 LYS HA 1 40 LYS HD2 . . 5.200 4.385 3.961 4.619 . 0 0 "[ . 1 . 2]" 1
433 1 40 LYS HA 1 40 LYS QD . . 4.500 4.005 3.647 4.208 . 0 0 "[ . 1 . 2]" 1
434 1 40 LYS HA 1 40 LYS HD3 . . 5.200 4.634 4.265 4.846 . 0 0 "[ . 1 . 2]" 1
435 1 40 LYS HA 1 41 GLU H . . 2.940 2.301 2.197 2.567 . 0 0 "[ . 1 . 2]" 1
436 1 40 LYS QB 1 41 GLU H . . 3.660 3.256 2.324 3.629 . 0 0 "[ . 1 . 2]" 1
437 1 40 LYS HB2 1 41 GLU H . . 4.250 4.090 3.767 4.244 . 0 0 "[ . 1 . 2]" 1
438 1 40 LYS HB3 1 41 GLU H . . 4.250 3.462 2.346 4.020 . 0 0 "[ . 1 . 2]" 1
439 1 40 LYS QD 1 41 GLU H . . 4.380 3.887 3.069 4.688 0.308 14 0 "[ . 1 . 2]" 1
440 1 40 LYS HD2 1 41 GLU H . . 5.050 4.450 3.525 5.300 0.250 14 0 "[ . 1 . 2]" 1
441 1 40 LYS HD3 1 41 GLU H . . 5.050 4.304 3.377 5.225 0.175 14 0 "[ . 1 . 2]" 1
442 1 40 LYS QG 1 41 GLU H . . 4.090 2.308 2.018 3.422 . 0 0 "[ . 1 . 2]" 1
443 1 40 LYS HG2 1 41 GLU H . . 4.790 2.349 2.028 3.566 . 0 0 "[ . 1 . 2]" 1
444 1 40 LYS HG3 1 41 GLU H . . 4.790 3.572 2.893 4.407 . 0 0 "[ . 1 . 2]" 1
445 1 41 GLU H 1 41 GLU HB2 . . 3.120 2.673 2.292 3.652 0.532 8 1 "[ . + 1 . 2]" 1
446 1 41 GLU H 1 41 GLU QG . . 3.630 2.737 2.094 3.364 . 0 0 "[ . 1 . 2]" 1
447 1 41 GLU HA 1 41 GLU QG . . 3.660 2.487 2.116 3.383 . 0 0 "[ . 1 . 2]" 1
448 1 41 GLU HA 1 42 ILE H . . 3.120 2.337 2.143 2.495 . 0 0 "[ . 1 . 2]" 1
449 1 41 GLU HA 1 42 ILE HB . . 4.660 4.765 4.686 4.824 0.164 19 0 "[ . 1 . 2]" 1
450 1 41 GLU HB3 1 42 ILE H . . 4.000 2.694 2.269 4.002 0.002 8 0 "[ . 1 . 2]" 1
451 1 41 GLU QG 1 42 ILE H . . 5.080 4.015 3.641 4.335 . 0 0 "[ . 1 . 2]" 1
452 1 42 ILE H 1 42 ILE HB . . 3.630 2.695 2.608 2.786 . 0 0 "[ . 1 . 2]" 1
453 1 42 ILE H 1 42 ILE MD . . 4.360 3.470 3.199 3.661 . 0 0 "[ . 1 . 2]" 1
454 1 42 ILE H 1 42 ILE HG12 . . 4.150 2.506 2.118 2.775 . 0 0 "[ . 1 . 2]" 1
455 1 42 ILE H 1 42 ILE QG . . 3.560 2.479 2.104 2.735 . 0 0 "[ . 1 . 2]" 1
456 1 42 ILE H 1 42 ILE HG13 . . 4.150 3.936 3.615 4.147 . 0 0 "[ . 1 . 2]" 1
457 1 42 ILE H 1 42 ILE MG . . 4.000 3.867 3.796 3.915 . 0 0 "[ . 1 . 2]" 1
458 1 42 ILE H 1 43 PHE H . . 4.660 4.505 4.440 4.594 . 0 0 "[ . 1 . 2]" 1
459 1 42 ILE HA 1 42 ILE MD . . 4.020 2.077 1.984 2.173 . 0 0 "[ . 1 . 2]" 1
460 1 42 ILE HA 1 42 ILE HG12 . . 4.150 3.150 3.104 3.185 . 0 0 "[ . 1 . 2]" 1
461 1 42 ILE HA 1 42 ILE HG13 . . 4.150 3.782 3.766 3.789 . 0 0 "[ . 1 . 2]" 1
462 1 42 ILE HA 1 42 ILE MG . . 3.410 2.231 2.198 2.303 . 0 0 "[ . 1 . 2]" 1
463 1 42 ILE HA 1 43 PHE H . . 3.040 2.252 2.222 2.271 . 0 0 "[ . 1 . 2]" 1
464 1 42 ILE HB 1 42 ILE MD . . 3.460 3.226 3.216 3.231 . 0 0 "[ . 1 . 2]" 1
465 1 42 ILE HB 1 76 ALA MB . . 4.360 3.739 3.507 4.046 . 0 0 "[ . 1 . 2]" 1
466 1 42 ILE MD 1 64 TYR QD . . 4.660 4.184 3.676 4.586 . 0 0 "[ . 1 . 2]" 1
467 1 42 ILE MD 1 64 TYR QE . . 3.700 2.995 2.345 3.459 . 0 0 "[ . 1 . 2]" 1
468 1 42 ILE MD 1 66 LEU MD1 . . 3.850 3.317 2.180 3.819 . 0 0 "[ . 1 . 2]" 1
469 1 42 ILE MD 1 66 LEU QD . . 2.740 2.360 1.798 2.746 0.006 12 0 "[ . 1 . 2]" 1
470 1 42 ILE MD 1 66 LEU MD2 . . 3.850 2.425 1.914 2.914 . 0 0 "[ . 1 . 2]" 1
471 1 42 ILE MD 1 66 LEU HG . . 3.880 4.487 3.719 4.962 1.082 12 12 "[ * -*****1 +* * **]" 1
472 1 42 ILE MD 1 76 ALA HA . . 4.150 4.590 4.501 4.668 0.518 6 2 "[ .+ 1 . -2]" 1
473 1 42 ILE QG 1 42 ILE MG . . 3.230 2.255 2.222 2.306 . 0 0 "[ . 1 . 2]" 1
474 1 42 ILE QG 1 43 PHE H . . 5.340 4.530 4.504 4.577 . 0 0 "[ . 1 . 2]" 1
475 1 42 ILE QG 1 66 LEU QD . . 4.350 3.659 3.156 4.039 . 0 0 "[ . 1 . 2]" 1
476 1 42 ILE MG 1 43 PHE H . . 3.700 2.096 1.990 2.286 . 0 0 "[ . 1 . 2]" 1
477 1 42 ILE MG 1 44 PHE QB . . 4.350 3.077 2.982 3.254 . 0 0 "[ . 1 . 2]" 1
478 1 42 ILE MG 1 64 TYR QD . . 4.800 3.466 2.968 3.911 . 0 0 "[ . 1 . 2]" 1
479 1 42 ILE MG 1 64 TYR QE . . 4.360 3.561 3.175 3.862 . 0 0 "[ . 1 . 2]" 1
480 1 42 ILE MG 1 75 SER HA . . 3.410 2.384 2.004 2.670 . 0 0 "[ . 1 . 2]" 1
481 1 42 ILE MG 1 76 ALA H . . 3.700 2.336 2.104 2.661 . 0 0 "[ . 1 . 2]" 1
482 1 42 ILE MG 1 76 ALA HA . . 4.660 3.208 2.931 3.407 . 0 0 "[ . 1 . 2]" 1
483 1 42 ILE MG 1 76 ALA MB . . 2.780 1.842 1.772 2.073 . 0 0 "[ . 1 . 2]" 1
484 1 43 PHE H 1 43 PHE QB . . 3.370 2.471 2.402 2.542 . 0 0 "[ . 1 . 2]" 1
485 1 43 PHE H 1 43 PHE QD . . 4.360 4.187 4.133 4.264 . 0 0 "[ . 1 . 2]" 1
486 1 43 PHE H 1 75 SER HA . . 4.150 2.238 1.958 2.620 . 0 0 "[ . 1 . 2]" 1
487 1 43 PHE H 1 76 ALA MB . . 5.500 4.010 3.817 4.289 . 0 0 "[ . 1 . 2]" 1
488 1 43 PHE HA 1 43 PHE QD . . 4.150 2.963 2.839 3.064 . 0 0 "[ . 1 . 2]" 1
489 1 43 PHE HA 1 44 PHE H . . 3.020 2.142 2.138 2.151 . 0 0 "[ . 1 . 2]" 1
490 1 43 PHE QB 1 44 PHE H . . 4.360 3.867 3.773 3.916 . 0 0 "[ . 1 . 2]" 1
491 1 43 PHE QB 1 75 SER QB . . 4.270 2.511 2.050 3.626 . 0 0 "[ . 1 . 2]" 1
492 1 43 PHE QD 1 75 SER HA . . 4.660 4.609 4.054 4.892 0.232 12 0 "[ . 1 . 2]" 1
493 1 43 PHE QD 1 75 SER HB2 . . 4.150 3.652 3.066 4.131 . 0 0 "[ . 1 . 2]" 1
494 1 43 PHE QD 1 75 SER QB . . 3.630 2.757 2.344 3.284 . 0 0 "[ . 1 . 2]" 1
495 1 43 PHE QD 1 75 SER HB3 . . 4.150 2.870 2.375 3.446 . 0 0 "[ . 1 . 2]" 1
496 1 43 PHE QE 1 45 HIS H . . 4.660 4.501 4.302 4.654 . 0 0 "[ . 1 . 2]" 1
497 1 43 PHE QE 1 45 HIS HA . . 4.660 4.511 4.148 4.642 . 0 0 "[ . 1 . 2]" 1
498 1 43 PHE HZ 1 45 HIS HD2 . . 4.360 3.260 2.353 4.334 . 0 0 "[ . 1 . 2]" 1
499 1 44 PHE H 1 44 PHE QB . . 3.650 2.941 2.877 3.015 . 0 0 "[ . 1 . 2]" 1
500 1 44 PHE H 1 44 PHE QD . . 3.460 2.615 2.408 2.714 . 0 0 "[ . 1 . 2]" 1
501 1 44 PHE HA 1 45 HIS H . . 3.170 2.187 2.165 2.216 . 0 0 "[ . 1 . 2]" 1
502 1 44 PHE HA 1 76 ALA H . . 4.150 3.598 3.356 3.854 . 0 0 "[ . 1 . 2]" 1
503 1 44 PHE HA 1 76 ALA MB . . 4.240 3.641 3.435 3.903 . 0 0 "[ . 1 . 2]" 1
504 1 44 PHE QB 1 45 HIS H . . 3.770 3.031 2.924 3.116 . 0 0 "[ . 1 . 2]" 1
505 1 44 PHE QB 1 76 ALA H . . 4.270 3.370 3.161 3.550 . 0 0 "[ . 1 . 2]" 1
506 1 44 PHE QB 1 79 VAL MG1 . . 4.960 3.816 3.674 4.090 . 0 0 "[ . 1 . 2]" 1
507 1 44 PHE QB 1 79 VAL MG2 . . 3.190 2.155 2.011 2.371 . 0 0 "[ . 1 . 2]" 1
508 1 44 PHE HB2 1 45 HIS H . . 4.630 3.109 2.990 3.208 . 0 0 "[ . 1 . 2]" 1
509 1 44 PHE HB2 1 76 ALA MB . . 3.410 3.227 3.057 3.364 . 0 0 "[ . 1 . 2]" 1
510 1 44 PHE HB2 1 79 VAL MG2 . . 3.750 2.309 2.113 2.577 . 0 0 "[ . 1 . 2]" 1
511 1 44 PHE HB3 1 45 HIS H . . 4.630 4.197 4.140 4.235 . 0 0 "[ . 1 . 2]" 1
512 1 44 PHE HB3 1 76 ALA MB . . 3.410 2.163 1.998 2.337 . 0 0 "[ . 1 . 2]" 1
513 1 44 PHE HB3 1 79 VAL MG2 . . 3.750 2.596 2.359 2.818 . 0 0 "[ . 1 . 2]" 1
514 1 44 PHE QD 1 48 GLU HB2 . . 4.660 3.746 3.484 3.972 . 0 0 "[ . 1 . 2]" 1
515 1 44 PHE QD 1 76 ALA MB . . 4.150 3.512 3.384 3.706 . 0 0 "[ . 1 . 2]" 1
516 1 44 PHE QD 1 79 VAL MG2 . . 3.610 3.152 2.984 3.329 . 0 0 "[ . 1 . 2]" 1
517 1 44 PHE QE 1 46 TYR HA . . 4.800 3.689 3.391 3.918 . 0 0 "[ . 1 . 2]" 1
518 1 44 PHE QE 1 79 VAL MG1 . . 4.360 4.028 3.829 4.262 . 0 0 "[ . 1 . 2]" 1
519 1 44 PHE HZ 1 56 LEU QD . . 3.690 3.576 3.122 3.759 0.069 7 0 "[ . 1 . 2]" 1
520 1 45 HIS H 1 45 HIS HB2 . . 3.560 2.224 2.130 2.568 . 0 0 "[ . 1 . 2]" 1
521 1 45 HIS H 1 45 HIS HB3 . . 3.560 3.151 2.627 3.495 . 0 0 "[ . 1 . 2]" 1
522 1 45 HIS HA 1 46 TYR H . . 3.230 2.278 2.234 2.313 . 0 0 "[ . 1 . 2]" 1
523 1 45 HIS QB 1 48 GLU H . . 4.000 2.556 2.397 2.775 . 0 0 "[ . 1 . 2]" 1
524 1 45 HIS HB2 1 48 GLU H . . 4.660 3.748 3.124 4.308 . 0 0 "[ . 1 . 2]" 1
525 1 45 HIS HB3 1 48 GLU H . . 4.660 2.621 2.417 3.106 . 0 0 "[ . 1 . 2]" 1
526 1 46 TYR H 1 46 TYR HB2 . . 3.560 2.164 2.136 2.199 . 0 0 "[ . 1 . 2]" 1
527 1 46 TYR H 1 46 TYR HB3 . . 3.700 3.476 3.452 3.504 . 0 0 "[ . 1 . 2]" 1
528 1 46 TYR H 1 46 TYR QD . . 4.120 2.500 2.313 2.631 . 0 0 "[ . 1 . 2]" 1
529 1 46 TYR H 1 47 SER H . . 4.360 2.736 2.654 2.839 . 0 0 "[ . 1 . 2]" 1
530 1 46 TYR HA 1 46 TYR QD . . 3.700 2.523 2.436 2.688 . 0 0 "[ . 1 . 2]" 1
531 1 46 TYR HA 1 49 PHE HB2 . . 4.660 3.270 3.156 3.392 . 0 0 "[ . 1 . 2]" 1
532 1 46 TYR HA 1 49 PHE QB . . 4.000 2.830 2.727 2.962 . 0 0 "[ . 1 . 2]" 1
533 1 46 TYR HA 1 49 PHE HB3 . . 4.660 3.103 2.980 3.275 . 0 0 "[ . 1 . 2]" 1
534 1 46 TYR HA 1 53 VAL MG1 . . 4.660 3.500 3.299 3.780 . 0 0 "[ . 1 . 2]" 1
535 1 46 TYR HA 1 53 VAL QG . . 4.000 2.778 2.504 2.929 . 0 0 "[ . 1 . 2]" 1
536 1 46 TYR HA 1 53 VAL MG2 . . 4.660 2.924 2.573 3.122 . 0 0 "[ . 1 . 2]" 1
537 1 46 TYR HB2 1 53 VAL MG1 . . 4.950 4.446 4.273 4.615 . 0 0 "[ . 1 . 2]" 1
538 1 46 TYR HB2 1 53 VAL QG . . 4.090 4.035 3.906 4.156 0.066 11 0 "[ . 1 . 2]" 1
539 1 46 TYR HB2 1 53 VAL MG2 . . 4.950 4.632 4.441 4.872 . 0 0 "[ . 1 . 2]" 1
540 1 46 TYR HB3 1 49 PHE QB . . 4.830 4.563 4.357 4.676 . 0 0 "[ . 1 . 2]" 1
541 1 46 TYR HB3 1 53 VAL MG1 . . 3.860 3.217 2.998 3.428 . 0 0 "[ . 1 . 2]" 1
542 1 46 TYR HB3 1 53 VAL QG . . 3.200 3.100 2.909 3.290 0.090 5 0 "[ . 1 . 2]" 1
543 1 46 TYR HB3 1 53 VAL MG2 . . 3.860 4.071 3.833 4.346 0.486 2 0 "[ . 1 . 2]" 1
544 1 46 TYR QD 1 47 SER HG . . 4.150 6.949 6.003 8.173 4.023 12 20 [****-******+********] 1
545 1 46 TYR QD 1 53 VAL MG1 . . 4.150 2.457 2.249 2.662 . 0 0 "[ . 1 . 2]" 1
546 1 46 TYR QD 1 53 VAL MG2 . . 4.150 3.049 2.881 3.205 . 0 0 "[ . 1 . 2]" 1
547 1 46 TYR QE 1 47 SER HA . . 4.360 7.757 7.627 7.871 3.511 15 20 [********-*****+*****] 1
548 1 46 TYR QE 1 47 SER HG . . 4.250 9.070 8.092 10.317 6.067 12 20 [****-******+********] 1
549 1 46 TYR QE 1 53 VAL MG1 . . 4.150 2.549 2.308 2.898 . 0 0 "[ . 1 . 2]" 1
550 1 46 TYR QE 1 53 VAL MG2 . . 4.150 2.792 2.656 2.915 . 0 0 "[ . 1 . 2]" 1
551 1 47 SER H 1 48 GLU H . . 4.150 2.577 2.479 2.730 . 0 0 "[ . 1 . 2]" 1
552 1 47 SER HB2 1 48 GLU H . . 5.420 3.470 2.854 4.241 . 0 0 "[ . 1 . 2]" 1
553 1 47 SER HB3 1 48 GLU H . . 5.420 3.621 2.918 4.287 . 0 0 "[ . 1 . 2]" 1
554 1 48 GLU H 1 48 GLU HB2 . . 3.480 2.469 2.265 2.653 . 0 0 "[ . 1 . 2]" 1
555 1 48 GLU H 1 48 GLU HB3 . . 3.880 3.598 3.544 3.617 . 0 0 "[ . 1 . 2]" 1
556 1 48 GLU H 1 48 GLU HG2 . . 4.360 2.844 2.126 4.123 . 0 0 "[ . 1 . 2]" 1
557 1 48 GLU H 1 48 GLU QG . . 3.580 2.345 1.981 2.813 . 0 0 "[ . 1 . 2]" 1
558 1 48 GLU H 1 48 GLU HG3 . . 4.360 2.986 2.001 3.774 . 0 0 "[ . 1 . 2]" 1
559 1 48 GLU HA 1 78 LYS H . . 4.660 4.008 3.668 4.435 . 0 0 "[ . 1 . 2]" 1
560 1 48 GLU HB2 1 49 PHE H . . 4.360 2.964 2.937 3.043 . 0 0 "[ . 1 . 2]" 1
561 1 48 GLU HB2 1 78 LYS H . . 4.630 4.129 4.004 4.224 . 0 0 "[ . 1 . 2]" 1
562 1 48 GLU HB2 1 79 VAL H . . 4.360 4.170 3.953 4.487 0.127 2 0 "[ . 1 . 2]" 1
563 1 48 GLU HB2 1 79 VAL MG2 . . 4.150 3.783 3.524 4.213 0.063 2 0 "[ . 1 . 2]" 1
564 1 48 GLU HB3 1 78 LYS H . . 3.560 2.499 2.347 2.780 . 0 0 "[ . 1 . 2]" 1
565 1 48 GLU HB3 1 79 VAL H . . 4.150 3.461 3.121 3.886 . 0 0 "[ . 1 . 2]" 1
566 1 48 GLU HB3 1 79 VAL MG2 . . 4.360 3.712 3.399 4.074 . 0 0 "[ . 1 . 2]" 1
567 1 48 GLU QG 1 78 LYS H . . 5.340 4.151 3.031 4.656 . 0 0 "[ . 1 . 2]" 1
568 1 49 PHE H 1 49 PHE HB2 . . 3.410 2.493 2.459 2.522 . 0 0 "[ . 1 . 2]" 1
569 1 49 PHE H 1 49 PHE QB . . 2.970 2.278 2.269 2.288 . 0 0 "[ . 1 . 2]" 1
570 1 49 PHE H 1 49 PHE HB3 . . 3.410 2.636 2.613 2.675 . 0 0 "[ . 1 . 2]" 1
571 1 49 PHE H 1 49 PHE QD . . 4.410 4.199 4.187 4.208 . 0 0 "[ . 1 . 2]" 1
572 1 49 PHE H 1 79 VAL HB . . 4.660 4.547 4.414 4.632 . 0 0 "[ . 1 . 2]" 1
573 1 49 PHE HA 1 49 PHE QD . . 4.150 3.069 2.930 3.126 . 0 0 "[ . 1 . 2]" 1
574 1 49 PHE HA 1 50 SER H . . 2.920 2.168 2.139 2.237 . 0 0 "[ . 1 . 2]" 1
575 1 49 PHE HA 1 50 SER QB . . 4.560 4.115 3.906 4.722 0.162 13 0 "[ . 1 . 2]" 1
576 1 49 PHE HA 1 79 VAL H . . 4.000 2.862 2.659 3.207 . 0 0 "[ . 1 . 2]" 1
577 1 49 PHE HA 1 79 VAL HB . . 3.780 2.555 2.425 2.721 . 0 0 "[ . 1 . 2]" 1
578 1 49 PHE HA 1 79 VAL MG1 . . 4.400 3.928 3.798 4.095 . 0 0 "[ . 1 . 2]" 1
579 1 49 PHE HA 1 79 VAL MG2 . . 4.150 3.729 3.544 3.866 . 0 0 "[ . 1 . 2]" 1
580 1 49 PHE QB 1 53 VAL QG . . 3.370 2.775 2.488 2.997 . 0 0 "[ . 1 . 2]" 1
581 1 49 PHE QB 1 79 VAL MG1 . . 5.340 3.982 3.872 4.133 . 0 0 "[ . 1 . 2]" 1
582 1 49 PHE HB2 1 53 VAL MG1 . . 4.360 4.668 4.467 4.861 0.501 20 1 "[ . 1 . +]" 1
583 1 49 PHE HB2 1 53 VAL MG2 . . 4.360 3.475 3.111 3.759 . 0 0 "[ . 1 . 2]" 1
584 1 49 PHE HB2 1 79 VAL HB . . 4.660 3.168 3.019 3.257 . 0 0 "[ . 1 . 2]" 1
585 1 49 PHE HB3 1 53 VAL MG1 . . 4.360 3.511 3.212 3.712 . 0 0 "[ . 1 . 2]" 1
586 1 49 PHE HB3 1 53 VAL MG2 . . 4.360 3.188 2.727 3.521 . 0 0 "[ . 1 . 2]" 1
587 1 49 PHE HB3 1 79 VAL HB . . 4.660 4.540 4.395 4.599 . 0 0 "[ . 1 . 2]" 1
588 1 49 PHE QD 1 50 SER H . . 4.000 3.268 2.963 3.673 . 0 0 "[ . 1 . 2]" 1
589 1 49 PHE QD 1 51 GLY H . . 4.150 2.988 2.648 3.348 . 0 0 "[ . 1 . 2]" 1
590 1 49 PHE QD 1 51 GLY HA2 . . 4.660 4.723 4.485 4.935 0.275 12 0 "[ . 1 . 2]" 1
591 1 49 PHE QD 1 51 GLY QA . . 4.000 3.643 3.346 4.062 0.062 12 0 "[ . 1 . 2]" 1
592 1 49 PHE QD 1 51 GLY HA3 . . 4.660 3.794 3.451 4.322 . 0 0 "[ . 1 . 2]" 1
593 1 49 PHE QD 1 53 VAL H . . 4.660 3.544 2.949 3.897 . 0 0 "[ . 1 . 2]" 1
594 1 49 PHE QD 1 53 VAL HA . . 4.360 3.907 3.706 4.183 . 0 0 "[ . 1 . 2]" 1
595 1 49 PHE QD 1 53 VAL HB . . 4.000 2.613 2.304 2.789 . 0 0 "[ . 1 . 2]" 1
596 1 49 PHE QD 1 53 VAL MG1 . . 3.880 3.758 3.550 3.875 . 0 0 "[ . 1 . 2]" 1
597 1 49 PHE QD 1 53 VAL QG . . 3.390 3.208 3.088 3.353 . 0 0 "[ . 1 . 2]" 1
598 1 49 PHE QD 1 53 VAL MG2 . . 3.880 3.492 3.300 3.690 . 0 0 "[ . 1 . 2]" 1
599 1 49 PHE QD 1 79 VAL H . . 4.660 4.546 4.377 4.644 . 0 0 "[ . 1 . 2]" 1
600 1 49 PHE QD 1 79 VAL HB . . 3.700 2.185 2.037 2.418 . 0 0 "[ . 1 . 2]" 1
601 1 49 PHE QD 1 79 VAL MG1 . . 3.150 2.344 2.084 2.609 . 0 0 "[ . 1 . 2]" 1
602 1 49 PHE QE 1 53 VAL QG . . 4.620 3.820 3.668 3.955 . 0 0 "[ . 1 . 2]" 1
603 1 49 PHE QE 1 56 LEU QD . . 3.780 2.383 2.089 2.840 . 0 0 "[ . 1 . 2]" 1
604 1 49 PHE QE 1 79 VAL MG1 . . 5.180 2.186 2.030 2.391 . 0 0 "[ . 1 . 2]" 1
605 1 49 PHE QE 1 81 LYS H . . 4.360 3.362 2.967 3.669 . 0 0 "[ . 1 . 2]" 1
606 1 49 PHE QE 1 81 LYS QB . . 4.560 3.633 3.210 4.204 . 0 0 "[ . 1 . 2]" 1
607 1 49 PHE QE 1 81 LYS HG3 . . 4.210 3.680 3.133 4.113 . 0 0 "[ . 1 . 2]" 1
608 1 49 PHE HZ 1 53 VAL HA . . 5.200 4.101 3.762 4.577 . 0 0 "[ . 1 . 2]" 1
609 1 49 PHE HZ 1 56 LEU QD . . 3.260 2.316 2.042 2.715 . 0 0 "[ . 1 . 2]" 1
610 1 49 PHE HZ 1 62 VAL MG1 . . 3.780 3.207 2.897 3.569 . 0 0 "[ . 1 . 2]" 1
611 1 49 PHE HZ 1 81 LYS H . . 4.000 2.823 2.346 3.200 . 0 0 "[ . 1 . 2]" 1
612 1 49 PHE HZ 1 81 LYS QB . . 4.560 3.012 2.600 3.550 . 0 0 "[ . 1 . 2]" 1
613 1 49 PHE HZ 1 81 LYS HG3 . . 4.390 2.479 2.041 2.920 . 0 0 "[ . 1 . 2]" 1
614 1 50 SER H 1 50 SER HB2 . . 3.730 2.772 2.338 3.256 . 0 0 "[ . 1 . 2]" 1
615 1 50 SER H 1 50 SER QB . . 3.090 2.499 2.288 3.033 . 0 0 "[ . 1 . 2]" 1
616 1 50 SER H 1 50 SER HB3 . . 3.730 3.031 2.338 3.721 . 0 0 "[ . 1 . 2]" 1
617 1 50 SER H 1 51 GLY H . . 4.660 4.081 3.833 4.300 . 0 0 "[ . 1 . 2]" 1
618 1 50 SER H 1 79 VAL HB . . 4.150 4.043 3.934 4.150 0.000 18 0 "[ . 1 . 2]" 1
619 1 50 SER H 1 80 ASN HA . . 4.150 3.310 2.813 3.789 . 0 0 "[ . 1 . 2]" 1
620 1 50 SER H 1 80 ASN HB3 . . 4.660 3.796 3.442 4.380 . 0 0 "[ . 1 . 2]" 1
621 1 50 SER HA 1 51 GLY H . . 2.980 2.188 2.145 2.238 . 0 0 "[ . 1 . 2]" 1
622 1 50 SER QB 1 51 GLY H . . 4.170 3.845 3.439 4.012 . 0 0 "[ . 1 . 2]" 1
623 1 50 SER QB 1 80 ASN HA . . 4.830 4.159 3.912 4.472 . 0 0 "[ . 1 . 2]" 1
624 1 50 SER QB 1 80 ASN HB3 . . 4.220 3.352 2.807 3.630 . 0 0 "[ . 1 . 2]" 1
625 1 50 SER HB2 1 80 ASN HA . . 5.500 5.089 4.354 5.813 0.313 7 0 "[ . 1 . 2]" 1
626 1 50 SER HB2 1 80 ASN HB2 . . 5.500 5.158 3.655 5.924 0.424 3 0 "[ . 1 . 2]" 1
627 1 50 SER HB2 1 80 ASN HB3 . . 4.900 4.281 3.464 5.022 0.122 16 0 "[ . 1 . 2]" 1
628 1 50 SER HB3 1 80 ASN HA . . 5.500 4.618 3.997 5.896 0.396 11 0 "[ . 1 . 2]" 1
629 1 50 SER HB3 1 80 ASN HB2 . . 5.500 4.350 3.765 5.944 0.444 13 0 "[ . 1 . 2]" 1
630 1 50 SER HB3 1 80 ASN HB3 . . 4.900 3.765 2.849 5.239 0.339 13 0 "[ . 1 . 2]" 1
631 1 52 ASP HA 1 53 VAL H . . 3.170 2.341 2.208 2.549 . 0 0 "[ . 1 . 2]" 1
632 1 52 ASP QB 1 55 SER H . . 4.270 2.804 2.535 3.032 . 0 0 "[ . 1 . 2]" 1
633 1 52 ASP QB 1 55 SER QB . . 4.450 2.203 1.921 2.697 . 0 0 "[ . 1 . 2]" 1
634 1 53 VAL H 1 53 VAL HB . . 3.510 2.615 2.466 2.778 . 0 0 "[ . 1 . 2]" 1
635 1 53 VAL H 1 53 VAL MG1 . . 4.000 2.002 1.927 2.179 . 0 0 "[ . 1 . 2]" 1
636 1 53 VAL H 1 53 VAL QG . . 3.420 1.995 1.921 2.166 . 0 0 "[ . 1 . 2]" 1
637 1 53 VAL H 1 53 VAL MG2 . . 4.000 3.778 3.753 3.815 . 0 0 "[ . 1 . 2]" 1
638 1 53 VAL H 1 54 ASP H . . 3.630 2.473 2.202 2.707 . 0 0 "[ . 1 . 2]" 1
639 1 53 VAL HA 1 55 SER H . . 4.660 4.182 3.942 4.597 . 0 0 "[ . 1 . 2]" 1
640 1 53 VAL HA 1 56 LEU H . . 4.150 3.564 3.236 4.101 . 0 0 "[ . 1 . 2]" 1
641 1 53 VAL HA 1 56 LEU HB2 . . 3.870 2.833 2.537 3.335 . 0 0 "[ . 1 . 2]" 1
642 1 53 VAL HA 1 56 LEU HB3 . . 4.360 4.332 4.117 4.611 0.251 4 0 "[ . 1 . 2]" 1
643 1 53 VAL HA 1 56 LEU QD . . 3.430 2.324 2.013 2.616 . 0 0 "[ . 1 . 2]" 1
644 1 53 VAL HA 1 56 LEU HG . . 4.660 3.190 2.239 3.618 . 0 0 "[ . 1 . 2]" 1
645 1 53 VAL HB 1 54 ASP H . . 4.360 4.044 3.982 4.120 . 0 0 "[ . 1 . 2]" 1
646 1 53 VAL HB 1 56 LEU QD . . 4.020 3.801 3.268 4.102 0.082 12 0 "[ . 1 . 2]" 1
647 1 53 VAL QG 1 54 ASP H . . 3.560 2.264 2.067 2.351 . 0 0 "[ . 1 . 2]" 1
648 1 53 VAL QG 1 54 ASP HA . . 4.130 3.076 3.015 3.128 . 0 0 "[ . 1 . 2]" 1
649 1 53 VAL QG 1 56 LEU HB3 . . 4.620 4.215 3.875 4.458 . 0 0 "[ . 1 . 2]" 1
650 1 53 VAL QG 1 56 LEU QD . . 3.390 2.576 1.994 2.871 . 0 0 "[ . 1 . 2]" 1
651 1 53 VAL QG 1 56 LEU HG . . 4.330 4.313 3.516 4.743 0.413 20 0 "[ . 1 . 2]" 1
652 1 53 VAL MG1 1 54 ASP H . . 4.360 2.281 2.077 2.372 . 0 0 "[ . 1 . 2]" 1
653 1 53 VAL MG2 1 54 ASP H . . 4.360 3.806 3.692 3.885 . 0 0 "[ . 1 . 2]" 1
654 1 54 ASP H 1 54 ASP HB2 . . 3.630 2.569 2.083 3.610 . 0 0 "[ . 1 . 2]" 1
655 1 54 ASP H 1 54 ASP HB3 . . 3.630 2.996 2.458 3.607 . 0 0 "[ . 1 . 2]" 1
656 1 54 ASP H 1 55 SER H . . 3.330 2.487 2.421 2.543 . 0 0 "[ . 1 . 2]" 1
657 1 54 ASP QB 1 55 SER H . . 4.070 2.938 2.554 3.554 . 0 0 "[ . 1 . 2]" 1
658 1 55 SER H 1 55 SER HB2 . . 3.700 2.744 2.102 3.679 . 0 0 "[ . 1 . 2]" 1
659 1 55 SER H 1 55 SER HB3 . . 3.700 2.926 2.151 3.630 . 0 0 "[ . 1 . 2]" 1
660 1 55 SER H 1 56 LEU H . . 3.150 2.548 2.334 2.916 . 0 0 "[ . 1 . 2]" 1
661 1 55 SER H 1 56 LEU HB2 . . 4.660 4.293 4.111 4.507 . 0 0 "[ . 1 . 2]" 1
662 1 56 LEU H 1 56 LEU HB2 . . 3.150 2.115 2.073 2.164 . 0 0 "[ . 1 . 2]" 1
663 1 56 LEU H 1 56 LEU HB3 . . 3.460 3.419 3.375 3.461 0.001 15 0 "[ . 1 . 2]" 1
664 1 56 LEU H 1 56 LEU QD . . 3.720 3.514 3.391 3.609 . 0 0 "[ . 1 . 2]" 1
665 1 56 LEU H 1 56 LEU HG . . 4.750 3.225 3.045 3.442 . 0 0 "[ . 1 . 2]" 1
666 1 56 LEU HA 1 56 LEU QD . . 3.180 2.096 1.961 2.287 . 0 0 "[ . 1 . 2]" 1
667 1 56 LEU HA 1 57 GLU H . . 2.950 2.341 2.246 2.403 . 0 0 "[ . 1 . 2]" 1
668 1 56 LEU HA 1 57 GLU QB . . 4.810 4.277 4.004 4.521 . 0 0 "[ . 1 . 2]" 1
669 1 56 LEU HA 1 81 LYS QD . . 4.980 3.827 3.112 4.419 . 0 0 "[ . 1 . 2]" 1
670 1 56 LEU HB3 1 56 LEU QD . . 3.020 2.076 2.029 2.130 . 0 0 "[ . 1 . 2]" 1
671 1 56 LEU HB3 1 57 GLU H . . 4.360 2.767 2.560 3.103 . 0 0 "[ . 1 . 2]" 1
672 1 56 LEU QD 1 57 GLU H . . 4.150 2.201 2.000 2.382 . 0 0 "[ . 1 . 2]" 1
673 1 56 LEU QD 1 60 ASP QB . . 3.870 2.270 1.931 2.735 . 0 0 "[ . 1 . 2]" 1
674 1 56 LEU QD 1 81 LYS QD . . 3.370 2.251 1.992 2.651 . 0 0 "[ . 1 . 2]" 1
675 1 56 LEU QD 1 81 LYS HG2 . . 4.360 2.561 1.980 2.803 . 0 0 "[ . 1 . 2]" 1
676 1 56 LEU QD 1 81 LYS HG3 . . 3.470 2.376 2.033 2.830 . 0 0 "[ . 1 . 2]" 1
677 1 56 LEU HG 1 57 GLU H . . 4.360 4.304 4.203 4.360 . 0 0 "[ . 1 . 2]" 1
678 1 57 GLU H 1 57 GLU HB2 . . 4.000 3.332 2.579 3.981 . 0 0 "[ . 1 . 2]" 1
679 1 57 GLU H 1 57 GLU QB . . 3.330 2.926 2.534 3.239 . 0 0 "[ . 1 . 2]" 1
680 1 57 GLU H 1 57 GLU HB3 . . 4.000 3.570 3.191 3.904 . 0 0 "[ . 1 . 2]" 1
681 1 57 GLU H 1 57 GLU HG2 . . 4.360 3.205 2.032 4.143 . 0 0 "[ . 1 . 2]" 1
682 1 57 GLU H 1 57 GLU QG . . 3.780 2.749 2.020 3.670 . 0 0 "[ . 1 . 2]" 1
683 1 57 GLU H 1 57 GLU HG3 . . 4.360 3.263 2.288 4.112 . 0 0 "[ . 1 . 2]" 1
684 1 57 GLU H 1 60 ASP HB2 . . 4.660 2.794 2.372 3.445 . 0 0 "[ . 1 . 2]" 1
685 1 57 GLU H 1 60 ASP QB . . 4.000 2.731 2.324 3.321 . 0 0 "[ . 1 . 2]" 1
686 1 57 GLU H 1 60 ASP HB3 . . 4.660 3.871 3.291 4.353 . 0 0 "[ . 1 . 2]" 1
687 1 57 GLU HA 1 57 GLU HG2 . . 4.150 3.154 2.122 4.127 . 0 0 "[ . 1 . 2]" 1
688 1 57 GLU HA 1 57 GLU QG . . 3.460 2.859 2.098 3.369 . 0 0 "[ . 1 . 2]" 1
689 1 57 GLU HA 1 57 GLU HG3 . . 4.150 3.530 2.581 3.998 . 0 0 "[ . 1 . 2]" 1
690 1 57 GLU HA 1 58 LEU H . . 2.980 2.540 2.301 2.673 . 0 0 "[ . 1 . 2]" 1
691 1 57 GLU HA 1 58 LEU HG . . 4.660 3.803 3.617 4.078 . 0 0 "[ . 1 . 2]" 1
692 1 57 GLU QB 1 58 LEU H . . 3.370 2.193 1.961 2.646 . 0 0 "[ . 1 . 2]" 1
693 1 57 GLU HB2 1 58 LEU H . . 4.150 2.759 1.972 3.990 . 0 0 "[ . 1 . 2]" 1
694 1 57 GLU HB3 1 58 LEU H . . 4.150 2.939 2.054 3.918 . 0 0 "[ . 1 . 2]" 1
695 1 57 GLU QG 1 58 LEU H . . 4.090 3.585 2.640 4.044 . 0 0 "[ . 1 . 2]" 1
696 1 57 GLU HG2 1 58 LEU H . . 4.950 4.256 3.679 4.878 . 0 0 "[ . 1 . 2]" 1
697 1 57 GLU HG3 1 58 LEU H . . 4.950 4.096 2.688 4.945 . 0 0 "[ . 1 . 2]" 1
698 1 58 LEU H 1 58 LEU HB2 . . 3.780 2.544 2.350 2.659 . 0 0 "[ . 1 . 2]" 1
699 1 58 LEU H 1 58 LEU QB . . 3.020 2.494 2.321 2.596 . 0 0 "[ . 1 . 2]" 1
700 1 58 LEU H 1 58 LEU HB3 . . 3.780 3.610 3.581 3.650 . 0 0 "[ . 1 . 2]" 1
701 1 58 LEU H 1 58 LEU MD1 . . 3.880 3.576 3.176 3.877 . 0 0 "[ . 1 . 2]" 1
702 1 58 LEU H 1 58 LEU MD2 . . 3.780 3.361 2.927 3.707 . 0 0 "[ . 1 . 2]" 1
703 1 58 LEU H 1 58 LEU HG . . 2.980 2.271 1.978 2.631 . 0 0 "[ . 1 . 2]" 1
704 1 58 LEU H 1 59 GLY H . . 4.660 4.507 4.420 4.613 . 0 0 "[ . 1 . 2]" 1
705 1 58 LEU HA 1 58 LEU MD1 . . 4.150 3.905 3.847 3.967 . 0 0 "[ . 1 . 2]" 1
706 1 58 LEU HA 1 58 LEU MD2 . . 3.040 2.220 2.016 2.469 . 0 0 "[ . 1 . 2]" 1
707 1 58 LEU HA 1 58 LEU HG . . 3.880 3.148 2.886 3.385 . 0 0 "[ . 1 . 2]" 1
708 1 58 LEU HA 1 59 GLY H . . 3.060 2.156 2.143 2.236 . 0 0 "[ . 1 . 2]" 1
709 1 58 LEU HA 1 60 ASP H . . 4.360 3.534 3.289 3.727 . 0 0 "[ . 1 . 2]" 1
710 1 58 LEU QB 1 58 LEU MD1 . . 2.840 2.059 1.960 2.095 . 0 0 "[ . 1 . 2]" 1
711 1 58 LEU QB 1 58 LEU MD2 . . 3.200 2.228 2.055 2.339 . 0 0 "[ . 1 . 2]" 1
712 1 58 LEU QB 1 59 GLY H . . 3.770 3.190 2.817 3.324 . 0 0 "[ . 1 . 2]" 1
713 1 58 LEU HB2 1 58 LEU MD1 . . 3.260 2.252 2.016 2.386 . 0 0 "[ . 1 . 2]" 1
714 1 58 LEU HB2 1 59 GLY H . . 4.630 4.156 3.946 4.339 . 0 0 "[ . 1 . 2]" 1
715 1 58 LEU HB3 1 58 LEU MD1 . . 3.260 2.415 2.234 2.673 . 0 0 "[ . 1 . 2]" 1
716 1 58 LEU HB3 1 59 GLY H . . 4.630 3.316 2.884 3.485 . 0 0 "[ . 1 . 2]" 1
717 1 58 LEU MD2 1 59 GLY H . . 4.020 3.714 3.390 3.950 . 0 0 "[ . 1 . 2]" 1
718 1 59 GLY H 1 60 ASP H . . 3.880 2.505 2.054 2.788 . 0 0 "[ . 1 . 2]" 1
719 1 60 ASP H 1 60 ASP HB2 . . 4.150 2.179 2.066 2.441 . 0 0 "[ . 1 . 2]" 1
720 1 60 ASP H 1 60 ASP QB . . 3.460 2.155 2.045 2.405 . 0 0 "[ . 1 . 2]" 1
721 1 60 ASP H 1 60 ASP HB3 . . 4.150 3.426 3.237 3.637 . 0 0 "[ . 1 . 2]" 1
722 1 60 ASP H 1 61 MET H . . 4.660 4.604 4.495 4.646 . 0 0 "[ . 1 . 2]" 1
723 1 60 ASP HA 1 61 MET H . . 2.870 2.297 2.175 2.446 . 0 0 "[ . 1 . 2]" 1
724 1 60 ASP HA 1 61 MET QB . . 4.660 4.161 4.030 4.334 . 0 0 "[ . 1 . 2]" 1
725 1 60 ASP HA 1 61 MET ME . . 4.660 3.591 2.589 4.599 . 0 0 "[ . 1 . 2]" 1
726 1 60 ASP QB 1 61 MET H . . 3.510 2.864 2.384 3.177 . 0 0 "[ . 1 . 2]" 1
727 1 60 ASP QB 1 61 MET ME . . 4.040 4.970 4.110 5.725 1.685 3 16 "[**+******1 ***-** *2]" 1
728 1 60 ASP HB2 1 61 MET H . . 4.150 4.123 3.821 4.347 0.197 9 0 "[ . 1 . 2]" 1
729 1 60 ASP HB2 1 62 VAL MG1 . . 4.660 4.322 3.915 4.640 . 0 0 "[ . 1 . 2]" 1
730 1 60 ASP HB3 1 61 MET H . . 4.150 2.924 2.409 3.272 . 0 0 "[ . 1 . 2]" 1
731 1 60 ASP HB3 1 62 VAL MG1 . . 4.660 3.455 3.234 3.800 . 0 0 "[ . 1 . 2]" 1
732 1 61 MET H 1 61 MET QB . . 3.440 2.191 2.116 2.300 . 0 0 "[ . 1 . 2]" 1
733 1 61 MET H 1 61 MET ME . . 3.600 3.010 2.243 3.797 0.197 3 0 "[ . 1 . 2]" 1
734 1 61 MET H 1 61 MET QG . . 3.780 3.381 3.008 3.687 . 0 0 "[ . 1 . 2]" 1
735 1 61 MET HA 1 61 MET ME . . 4.660 3.709 3.248 4.204 . 0 0 "[ . 1 . 2]" 1
736 1 61 MET HA 1 62 VAL H . . 3.100 2.260 2.192 2.334 . 0 0 "[ . 1 . 2]" 1
737 1 61 MET HA 1 62 VAL MG2 . . 4.150 3.474 3.342 3.616 . 0 0 "[ . 1 . 2]" 1
738 1 61 MET QB 1 62 VAL H . . 3.880 2.911 2.595 3.140 . 0 0 "[ . 1 . 2]" 1
739 1 61 MET QB 1 62 VAL MG1 . . 5.180 4.322 4.220 4.445 . 0 0 "[ . 1 . 2]" 1
740 1 61 MET QB 1 82 THR H . . 4.560 4.135 3.914 4.494 . 0 0 "[ . 1 . 2]" 1
741 1 61 MET QB 1 82 THR HB . . 4.900 5.313 4.922 5.837 0.937 12 6 "[* . - 1 +**. * 2]" 1
742 1 61 MET QB 1 82 THR MG . . 3.260 2.612 2.241 2.995 . 0 0 "[ . 1 . 2]" 1
743 1 61 MET ME 1 61 MET QG . . 3.150 2.217 2.028 2.401 . 0 0 "[ . 1 . 2]" 1
744 1 61 MET QG 1 62 VAL H . . 4.730 3.343 2.931 3.683 . 0 0 "[ . 1 . 2]" 1
745 1 61 MET QG 1 82 THR MG . . 3.460 3.980 3.575 4.165 0.705 8 12 "[* * *+ * **** *- *]" 1
746 1 62 VAL H 1 62 VAL MG1 . . 4.000 3.211 3.079 3.339 . 0 0 "[ . 1 . 2]" 1
747 1 62 VAL H 1 62 VAL MG2 . . 3.260 2.291 2.076 2.412 . 0 0 "[ . 1 . 2]" 1
748 1 62 VAL H 1 82 THR MG . . 4.660 3.500 3.115 3.933 . 0 0 "[ . 1 . 2]" 1
749 1 62 VAL HA 1 62 VAL MG1 . . 3.300 2.244 2.140 2.363 . 0 0 "[ . 1 . 2]" 1
750 1 62 VAL HA 1 63 GLU H . . 3.120 2.326 2.199 2.502 . 0 0 "[ . 1 . 2]" 1
751 1 62 VAL HA 1 79 VAL MG1 . . 4.790 4.350 4.022 4.577 . 0 0 "[ . 1 . 2]" 1
752 1 62 VAL HA 1 81 LYS HA . . 4.150 2.604 2.331 3.100 . 0 0 "[ . 1 . 2]" 1
753 1 62 VAL HA 1 82 THR H . . 3.560 2.797 2.420 3.337 . 0 0 "[ . 1 . 2]" 1
754 1 62 VAL HA 1 82 THR MG . . 3.700 2.486 1.900 2.971 . 0 0 "[ . 1 . 2]" 1
755 1 62 VAL HB 1 63 GLU H . . 3.300 2.594 2.159 2.994 . 0 0 "[ . 1 . 2]" 1
756 1 62 VAL HB 1 82 THR MG . . 5.390 4.447 3.884 4.903 . 0 0 "[ . 1 . 2]" 1
757 1 62 VAL MG1 1 63 GLU H . . 3.780 3.623 3.437 3.771 . 0 0 "[ . 1 . 2]" 1
758 1 62 VAL MG1 1 81 LYS H . . 4.660 4.296 4.032 4.489 . 0 0 "[ . 1 . 2]" 1
759 1 62 VAL MG1 1 81 LYS HA . . 3.410 2.436 2.166 2.665 . 0 0 "[ . 1 . 2]" 1
760 1 62 VAL MG1 1 81 LYS QB . . 4.560 3.930 3.708 4.107 . 0 0 "[ . 1 . 2]" 1
761 1 62 VAL MG1 1 81 LYS HG2 . . 4.360 2.533 2.076 3.010 . 0 0 "[ . 1 . 2]" 1
762 1 62 VAL MG1 1 81 LYS HG3 . . 3.880 3.213 2.633 3.883 0.003 19 0 "[ . 1 . 2]" 1
763 1 62 VAL MG1 1 82 THR H . . 4.000 3.608 3.148 3.961 . 0 0 "[ . 1 . 2]" 1
764 1 62 VAL MG2 1 63 GLU H . . 4.360 3.670 3.403 3.924 . 0 0 "[ . 1 . 2]" 1
765 1 62 VAL MG2 1 64 TYR QB . . 4.790 3.919 3.493 4.171 . 0 0 "[ . 1 . 2]" 1
766 1 62 VAL MG2 1 64 TYR QD . . 3.780 2.718 2.228 3.048 . 0 0 "[ . 1 . 2]" 1
767 1 62 VAL MG2 1 76 ALA MB . . 5.350 5.044 4.724 5.291 . 0 0 "[ . 1 . 2]" 1
768 1 62 VAL MG2 1 79 VAL MG2 . . 4.250 4.357 4.104 4.639 0.389 20 0 "[ . 1 . 2]" 1
769 1 63 GLU H 1 63 GLU HB2 . . 3.880 2.600 2.245 2.993 . 0 0 "[ . 1 . 2]" 1
770 1 63 GLU H 1 63 GLU HB3 . . 4.150 2.936 2.622 3.368 . 0 0 "[ . 1 . 2]" 1
771 1 63 GLU H 1 63 GLU HG2 . . 5.370 4.569 4.390 4.800 . 0 0 "[ . 1 . 2]" 1
772 1 63 GLU H 1 63 GLU QG . . 4.580 4.007 3.607 4.150 . 0 0 "[ . 1 . 2]" 1
773 1 63 GLU H 1 63 GLU HG3 . . 5.370 4.478 3.763 4.850 . 0 0 "[ . 1 . 2]" 1
774 1 63 GLU H 1 82 THR H . . 4.660 4.077 3.528 4.621 . 0 0 "[ . 1 . 2]" 1
775 1 63 GLU H 1 82 THR MG . . 3.840 2.985 2.583 3.499 . 0 0 "[ . 1 . 2]" 1
776 1 63 GLU HA 1 63 GLU QG . . 3.720 2.218 2.061 2.425 . 0 0 "[ . 1 . 2]" 1
777 1 63 GLU HA 1 64 TYR H . . 3.000 2.190 2.148 2.270 . 0 0 "[ . 1 . 2]" 1
778 1 63 GLU HA 1 64 TYR QD . . 4.360 3.420 3.080 3.635 . 0 0 "[ . 1 . 2]" 1
779 1 63 GLU HA 1 82 THR MG . . 4.660 3.435 3.154 3.886 . 0 0 "[ . 1 . 2]" 1
780 1 63 GLU HB2 1 64 TYR H . . 4.410 4.303 4.152 4.408 . 0 0 "[ . 1 . 2]" 1
781 1 63 GLU HB2 1 80 ASN H . . 4.950 4.618 4.148 4.914 . 0 0 "[ . 1 . 2]" 1
782 1 63 GLU HB2 1 80 ASN QD . . 4.550 3.531 2.447 4.255 . 0 0 "[ . 1 . 2]" 1
783 1 63 GLU HB2 1 82 THR HB . . 4.660 2.464 2.050 2.996 . 0 0 "[ . 1 . 2]" 1
784 1 63 GLU HB2 1 82 THR MG . . 3.560 2.384 1.976 2.769 . 0 0 "[ . 1 . 2]" 1
785 1 63 GLU HB3 1 64 TYR H . . 4.360 3.719 3.159 4.087 . 0 0 "[ . 1 . 2]" 1
786 1 63 GLU HB3 1 80 ASN H . . 4.250 3.672 3.166 4.267 0.017 6 0 "[ . 1 . 2]" 1
787 1 63 GLU HB3 1 80 ASN QD . . 4.550 3.137 2.292 4.213 . 0 0 "[ . 1 . 2]" 1
788 1 63 GLU HB3 1 82 THR MG . . 4.150 3.857 3.489 4.116 . 0 0 "[ . 1 . 2]" 1
789 1 63 GLU QG 1 64 TYR H . . 3.690 2.723 2.357 3.215 . 0 0 "[ . 1 . 2]" 1
790 1 63 GLU HG2 1 64 TYR H . . 4.390 2.914 2.371 3.719 . 0 0 "[ . 1 . 2]" 1
791 1 63 GLU HG2 1 82 THR MG . . 5.500 4.280 3.448 5.091 . 0 0 "[ . 1 . 2]" 1
792 1 63 GLU HG3 1 64 TYR H . . 4.390 3.820 2.421 4.416 0.026 4 0 "[ . 1 . 2]" 1
793 1 63 GLU HG3 1 82 THR MG . . 5.500 3.434 2.378 4.254 . 0 0 "[ . 1 . 2]" 1
794 1 64 TYR H 1 64 TYR QD . . 3.630 2.962 2.513 3.218 . 0 0 "[ . 1 . 2]" 1
795 1 64 TYR H 1 65 SER H . . 4.660 4.384 4.365 4.410 . 0 0 "[ . 1 . 2]" 1
796 1 64 TYR H 1 76 ALA MB . . 5.500 5.389 5.223 5.486 . 0 0 "[ . 1 . 2]" 1
797 1 64 TYR HA 1 65 SER H . . 3.260 2.539 2.454 2.597 . 0 0 "[ . 1 . 2]" 1
798 1 64 TYR HA 1 76 ALA MB . . 4.620 4.075 3.819 4.387 . 0 0 "[ . 1 . 2]" 1
799 1 64 TYR HA 1 79 VAL MG2 . . 3.880 3.412 3.174 3.651 . 0 0 "[ . 1 . 2]" 1
800 1 64 TYR HA 1 80 ASN H . . 4.900 4.149 3.883 4.352 . 0 0 "[ . 1 . 2]" 1
801 1 64 TYR QB 1 65 SER H . . 3.250 2.169 2.089 2.295 . 0 0 "[ . 1 . 2]" 1
802 1 64 TYR QB 1 76 ALA MB . . 3.400 2.134 1.918 2.320 . 0 0 "[ . 1 . 2]" 1
803 1 64 TYR QB 1 77 GLU H . . 4.390 3.192 2.756 3.904 . 0 0 "[ . 1 . 2]" 1
804 1 64 TYR QB 1 79 VAL MG1 . . 3.790 2.494 2.255 2.805 . 0 0 "[ . 1 . 2]" 1
805 1 64 TYR QB 1 79 VAL MG2 . . 3.450 2.299 2.046 2.538 . 0 0 "[ . 1 . 2]" 1
806 1 64 TYR HB2 1 65 SER H . . 3.930 2.186 2.102 2.318 . 0 0 "[ . 1 . 2]" 1
807 1 64 TYR HB2 1 79 VAL MG2 . . 4.000 2.703 2.493 3.089 . 0 0 "[ . 1 . 2]" 1
808 1 64 TYR HB3 1 65 SER H . . 3.930 3.647 3.576 3.694 . 0 0 "[ . 1 . 2]" 1
809 1 64 TYR HB3 1 79 VAL MG2 . . 4.000 2.504 2.147 2.805 . 0 0 "[ . 1 . 2]" 1
810 1 64 TYR QD 1 65 SER H . . 3.880 2.874 2.469 3.315 . 0 0 "[ . 1 . 2]" 1
811 1 64 TYR QD 1 66 LEU H . . 5.020 4.690 4.324 5.013 . 0 0 "[ . 1 . 2]" 1
812 1 64 TYR QD 1 66 LEU QD . . 3.980 2.612 2.177 3.210 . 0 0 "[ . 1 . 2]" 1
813 1 64 TYR QD 1 66 LEU HG . . 4.660 3.460 2.920 3.956 . 0 0 "[ . 1 . 2]" 1
814 1 64 TYR QD 1 76 ALA HA . . 4.360 3.364 3.131 3.737 . 0 0 "[ . 1 . 2]" 1
815 1 64 TYR QD 1 76 ALA MB . . 3.410 2.653 2.245 2.951 . 0 0 "[ . 1 . 2]" 1
816 1 64 TYR QD 1 77 GLU H . . 4.660 4.147 3.628 4.438 . 0 0 "[ . 1 . 2]" 1
817 1 64 TYR QD 1 79 VAL MG2 . . 4.360 3.999 3.770 4.244 . 0 0 "[ . 1 . 2]" 1
818 1 64 TYR QE 1 66 LEU MD1 . . 4.150 3.205 2.489 4.054 . 0 0 "[ . 1 . 2]" 1
819 1 64 TYR QE 1 66 LEU QD . . 3.260 2.429 1.968 2.871 . 0 0 "[ . 1 . 2]" 1
820 1 64 TYR QE 1 66 LEU MD2 . . 4.150 2.566 1.979 3.128 . 0 0 "[ . 1 . 2]" 1
821 1 64 TYR QE 1 66 LEU HG . . 4.150 3.111 2.014 4.038 . 0 0 "[ . 1 . 2]" 1
822 1 65 SER H 1 65 SER HB2 . . 4.140 3.128 2.431 3.814 . 0 0 "[ . 1 . 2]" 1
823 1 65 SER H 1 65 SER QB . . 3.540 2.929 2.393 3.279 . 0 0 "[ . 1 . 2]" 1
824 1 65 SER H 1 65 SER HB3 . . 4.140 3.768 3.409 3.951 . 0 0 "[ . 1 . 2]" 1
825 1 65 SER H 1 76 ALA MB . . 4.360 3.428 3.143 3.829 . 0 0 "[ . 1 . 2]" 1
826 1 65 SER H 1 77 GLU H . . 3.780 2.773 2.392 3.271 . 0 0 "[ . 1 . 2]" 1
827 1 65 SER H 1 79 VAL MG2 . . 4.660 4.000 3.654 4.258 . 0 0 "[ . 1 . 2]" 1
828 1 65 SER HA 1 66 LEU H . . 3.220 2.441 2.330 2.507 . 0 0 "[ . 1 . 2]" 1
829 1 65 SER HA 1 77 GLU H . . 5.180 5.243 4.921 5.549 0.369 10 0 "[ . 1 . 2]" 1
830 1 65 SER QB 1 66 LEU H . . 3.550 2.380 2.221 2.591 . 0 0 "[ . 1 . 2]" 1
831 1 65 SER QB 1 66 LEU HB2 . . 4.830 4.781 4.686 4.830 . 0 0 "[ . 1 . 2]" 1
832 1 65 SER QB 1 77 GLU QB . . 4.180 4.863 4.199 5.629 1.449 13 13 "[*** * ** ***+-* * 2]" 1
833 1 65 SER QB 1 77 GLU QG . . 4.100 2.889 2.187 3.705 . 0 0 "[ . 1 . 2]" 1
834 1 65 SER HB2 1 66 LEU H . . 4.150 3.093 2.249 3.789 . 0 0 "[ . 1 . 2]" 1
835 1 65 SER HB3 1 66 LEU H . . 4.150 2.755 2.288 3.481 . 0 0 "[ . 1 . 2]" 1
836 1 66 LEU H 1 66 LEU HB2 . . 3.100 2.658 2.534 2.827 . 0 0 "[ . 1 . 2]" 1
837 1 66 LEU H 1 66 LEU MD1 . . 4.360 4.073 3.823 4.297 . 0 0 "[ . 1 . 2]" 1
838 1 66 LEU H 1 66 LEU QD . . 3.820 3.465 3.278 3.627 . 0 0 "[ . 1 . 2]" 1
839 1 66 LEU H 1 66 LEU MD2 . . 4.360 3.760 3.468 4.025 . 0 0 "[ . 1 . 2]" 1
840 1 66 LEU H 1 66 LEU HG . . 4.150 2.961 2.640 3.263 . 0 0 "[ . 1 . 2]" 1
841 1 66 LEU HA 1 66 LEU MD1 . . 4.660 3.877 3.814 3.928 . 0 0 "[ . 1 . 2]" 1
842 1 66 LEU HA 1 66 LEU QD . . 3.510 2.119 1.978 2.300 . 0 0 "[ . 1 . 2]" 1
843 1 66 LEU HA 1 66 LEU MD2 . . 4.660 2.129 1.983 2.316 . 0 0 "[ . 1 . 2]" 1
844 1 66 LEU HA 1 67 SER H . . 3.080 2.231 2.140 2.321 . 0 0 "[ . 1 . 2]" 1
845 1 66 LEU HA 1 76 ALA HA . . 4.360 3.760 3.446 4.162 . 0 0 "[ . 1 . 2]" 1
846 1 66 LEU HA 1 77 GLU H . . 5.500 4.644 4.251 5.118 . 0 0 "[ . 1 . 2]" 1
847 1 66 LEU HB3 1 66 LEU MD1 . . 3.600 2.365 2.230 2.507 . 0 0 "[ . 1 . 2]" 1
848 1 66 LEU HB3 1 66 LEU QD . . 3.120 2.073 2.029 2.144 . 0 0 "[ . 1 . 2]" 1
849 1 66 LEU HB3 1 66 LEU MD2 . . 3.600 2.303 2.173 2.386 . 0 0 "[ . 1 . 2]" 1
850 1 66 LEU HB3 1 67 SER H . . 4.160 2.953 2.614 3.655 . 0 0 "[ . 1 . 2]" 1
851 1 66 LEU QD 1 67 SER H . . 4.590 3.378 3.134 3.559 . 0 0 "[ . 1 . 2]" 1
852 1 66 LEU QD 1 74 VAL HB . . 4.000 3.561 2.265 3.976 . 0 0 "[ . 1 . 2]" 1
853 1 66 LEU QD 1 76 ALA HA . . 4.330 2.934 2.371 3.738 . 0 0 "[ . 1 . 2]" 1
854 1 66 LEU MD1 1 74 VAL HB . . 4.660 4.298 3.075 4.587 . 0 0 "[ . 1 . 2]" 1
855 1 66 LEU MD2 1 74 VAL HB . . 4.660 3.847 2.276 4.508 . 0 0 "[ . 1 . 2]" 1
856 1 66 LEU HG 1 74 VAL QG . . 4.220 4.055 3.737 4.374 0.154 4 0 "[ . 1 . 2]" 1
857 1 67 SER H 1 67 SER QB . . 3.220 2.629 2.162 3.152 . 0 0 "[ . 1 . 2]" 1
858 1 67 SER H 1 68 LYS H . . 4.960 4.063 2.636 4.595 . 0 0 "[ . 1 . 2]" 1
859 1 67 SER H 1 74 VAL QG . . 3.680 3.492 2.337 4.194 0.514 1 1 "[+ . 1 . 2]" 1
860 1 67 SER H 1 75 SER H . . 4.560 4.810 3.924 5.489 0.929 2 5 "[*+ *. * - . 2]" 1
861 1 67 SER H 1 76 ALA HA . . 4.250 5.206 4.665 5.778 1.528 3 16 "[**+ ** ******** ** -]" 1
862 1 67 SER HA 1 68 LYS H . . 3.370 2.456 2.137 2.885 . 0 0 "[ . 1 . 2]" 1
863 1 67 SER QB 1 68 LYS H . . 4.970 3.174 1.995 4.036 . 0 0 "[ . 1 . 2]" 1
864 1 67 SER QB 1 75 SER H . . 5.080 5.915 4.230 7.610 2.530 2 13 "[*+-** ** * * ** **2]" 1
865 1 68 LYS H 1 68 LYS QB . . 3.680 2.577 2.058 3.300 . 0 0 "[ . 1 . 2]" 1
866 1 68 LYS HA 1 69 GLY QA . . 4.270 3.987 3.888 4.392 0.122 6 0 "[ . 1 . 2]" 1
867 1 68 LYS QB 1 69 GLY QA . . 4.450 3.883 3.469 4.535 0.085 10 0 "[ . 1 . 2]" 1
868 1 73 LYS H 1 74 VAL H . . 4.660 4.163 3.113 4.644 . 0 0 "[ . 1 . 2]" 1
869 1 73 LYS HA 1 73 LYS HD2 . . 5.380 3.965 2.354 4.646 . 0 0 "[ . 1 . 2]" 1
870 1 73 LYS HA 1 73 LYS QD . . 4.610 3.509 2.332 4.196 . 0 0 "[ . 1 . 2]" 1
871 1 73 LYS HA 1 73 LYS HD3 . . 5.380 4.152 2.938 4.870 . 0 0 "[ . 1 . 2]" 1
872 1 73 LYS HA 1 74 VAL H . . 2.870 2.266 2.140 2.585 . 0 0 "[ . 1 . 2]" 1
873 1 73 LYS QB 1 74 VAL H . . 4.140 3.363 2.217 3.968 . 0 0 "[ . 1 . 2]" 1
874 1 73 LYS QE 1 73 LYS QG . . 3.330 2.145 2.000 2.439 . 0 0 "[ . 1 . 2]" 1
875 1 73 LYS QG 1 74 VAL H . . 4.560 3.415 2.208 4.532 . 0 0 "[ . 1 . 2]" 1
876 1 74 VAL H 1 74 VAL HB . . 3.510 2.744 2.543 3.099 . 0 0 "[ . 1 . 2]" 1
877 1 74 VAL H 1 74 VAL MG1 . . 4.660 3.310 1.977 3.947 . 0 0 "[ . 1 . 2]" 1
878 1 74 VAL H 1 74 VAL QG . . 3.260 2.400 1.971 2.873 . 0 0 "[ . 1 . 2]" 1
879 1 74 VAL H 1 74 VAL MG2 . . 4.660 2.977 2.284 3.915 . 0 0 "[ . 1 . 2]" 1
880 1 74 VAL H 1 75 SER H . . 4.360 4.455 4.313 4.575 0.215 9 0 "[ . 1 . 2]" 1
881 1 74 VAL HA 1 74 VAL MG1 . . 3.630 2.569 2.214 3.201 . 0 0 "[ . 1 . 2]" 1
882 1 74 VAL HA 1 74 VAL QG . . 3.130 2.122 2.046 2.273 . 0 0 "[ . 1 . 2]" 1
883 1 74 VAL HA 1 74 VAL MG2 . . 3.630 2.344 2.190 2.460 . 0 0 "[ . 1 . 2]" 1
884 1 74 VAL HA 1 75 SER H . . 2.780 2.196 2.141 2.275 . 0 0 "[ . 1 . 2]" 1
885 1 74 VAL HA 1 75 SER HA . . 4.660 4.409 4.373 4.457 . 0 0 "[ . 1 . 2]" 1
886 1 74 VAL HB 1 75 SER H . . 4.250 4.035 3.841 4.188 . 0 0 "[ . 1 . 2]" 1
887 1 74 VAL QG 1 75 SER H . . 3.340 2.302 1.977 2.765 . 0 0 "[ . 1 . 2]" 1
888 1 74 VAL QG 1 75 SER HA . . 4.680 3.543 3.264 3.851 . 0 0 "[ . 1 . 2]" 1
889 1 74 VAL QG 1 75 SER QB . . 5.280 4.276 4.106 4.534 . 0 0 "[ . 1 . 2]" 1
890 1 74 VAL MG1 1 75 SER H . . 4.810 2.795 1.990 3.851 . 0 0 "[ . 1 . 2]" 1
891 1 74 VAL MG2 1 75 SER H . . 4.810 3.466 1.986 4.147 . 0 0 "[ . 1 . 2]" 1
892 1 75 SER H 1 76 ALA H . . 5.150 4.455 4.383 4.547 . 0 0 "[ . 1 . 2]" 1
893 1 75 SER HA 1 76 ALA H . . 3.080 2.447 2.275 2.574 . 0 0 "[ . 1 . 2]" 1
894 1 75 SER HA 1 76 ALA MB . . 4.870 4.000 3.946 4.080 . 0 0 "[ . 1 . 2]" 1
895 1 75 SER QB 1 76 ALA MB . . 5.340 4.024 3.783 4.269 . 0 0 "[ . 1 . 2]" 1
896 1 75 SER HB2 1 76 ALA H . . 3.700 2.615 2.155 3.551 . 0 0 "[ . 1 . 2]" 1
897 1 75 SER HB3 1 76 ALA H . . 3.700 3.151 2.112 3.634 . 0 0 "[ . 1 . 2]" 1
898 1 76 ALA H 1 76 ALA MB . . 3.200 2.190 2.138 2.294 . 0 0 "[ . 1 . 2]" 1
899 1 76 ALA HA 1 77 GLU H . . 3.000 2.346 2.155 2.485 . 0 0 "[ . 1 . 2]" 1
900 1 76 ALA MB 1 77 GLU H . . 3.630 2.574 2.263 3.112 . 0 0 "[ . 1 . 2]" 1
901 1 76 ALA MB 1 79 VAL MG1 . . 4.660 3.707 3.500 3.991 . 0 0 "[ . 1 . 2]" 1
902 1 76 ALA MB 1 79 VAL MG2 . . 3.260 2.048 1.912 2.386 . 0 0 "[ . 1 . 2]" 1
903 1 77 GLU H 1 77 GLU QB . . 3.580 3.115 2.854 3.265 . 0 0 "[ . 1 . 2]" 1
904 1 77 GLU H 1 77 GLU HG2 . . 4.330 2.598 2.088 3.357 . 0 0 "[ . 1 . 2]" 1
905 1 77 GLU H 1 77 GLU QG . . 3.590 2.263 1.985 2.561 . 0 0 "[ . 1 . 2]" 1
906 1 77 GLU H 1 77 GLU HG3 . . 4.330 2.877 2.012 3.867 . 0 0 "[ . 1 . 2]" 1
907 1 77 GLU H 1 79 VAL MG2 . . 4.660 3.463 3.075 3.960 . 0 0 "[ . 1 . 2]" 1
908 1 77 GLU QB 1 78 LYS QG . . 5.130 2.985 2.561 3.338 . 0 0 "[ . 1 . 2]" 1
909 1 77 GLU HB2 1 78 LYS H . . 3.700 3.131 2.923 3.328 . 0 0 "[ . 1 . 2]" 1
910 1 77 GLU HB3 1 78 LYS H . . 3.700 4.086 3.963 4.157 0.457 19 0 "[ . 1 . 2]" 1
911 1 77 GLU QG 1 78 LYS H . . 5.340 4.163 3.833 4.447 . 0 0 "[ . 1 . 2]" 1
912 1 77 GLU QG 1 79 VAL MG2 . . 5.340 4.768 4.616 4.929 . 0 0 "[ . 1 . 2]" 1
913 1 78 LYS H 1 78 LYS QE . . 5.340 4.785 3.596 5.478 0.138 14 0 "[ . 1 . 2]" 1
914 1 78 LYS H 1 78 LYS HG2 . . 4.750 2.921 2.580 3.405 . 0 0 "[ . 1 . 2]" 1
915 1 78 LYS H 1 78 LYS QG . . 4.100 2.712 2.551 2.980 . 0 0 "[ . 1 . 2]" 1
916 1 78 LYS H 1 78 LYS HG3 . . 4.750 3.553 2.764 4.287 . 0 0 "[ . 1 . 2]" 1
917 1 78 LYS H 1 79 VAL H . . 3.780 2.979 2.741 3.227 . 0 0 "[ . 1 . 2]" 1
918 1 78 LYS H 1 79 VAL MG2 . . 4.660 3.722 3.583 3.836 . 0 0 "[ . 1 . 2]" 1
919 1 78 LYS HA 1 78 LYS HD2 . . 5.380 4.005 2.358 4.974 . 0 0 "[ . 1 . 2]" 1
920 1 78 LYS HA 1 78 LYS QD . . 4.640 3.416 2.264 4.254 . 0 0 "[ . 1 . 2]" 1
921 1 78 LYS HA 1 78 LYS HD3 . . 5.380 3.865 2.571 4.638 . 0 0 "[ . 1 . 2]" 1
922 1 78 LYS HA 1 78 LYS HG2 . . 4.220 2.525 2.227 3.184 . 0 0 "[ . 1 . 2]" 1
923 1 78 LYS HA 1 78 LYS QG . . 3.540 2.467 2.193 3.038 . 0 0 "[ . 1 . 2]" 1
924 1 78 LYS HA 1 78 LYS HG3 . . 4.220 3.524 3.162 3.841 . 0 0 "[ . 1 . 2]" 1
925 1 78 LYS HA 1 79 VAL H . . 3.200 2.539 2.371 2.804 . 0 0 "[ . 1 . 2]" 1
926 1 78 LYS HA 1 79 VAL MG2 . . 4.360 4.223 4.074 4.404 0.044 13 0 "[ . 1 . 2]" 1
927 1 79 VAL H 1 79 VAL HB . . 3.330 2.593 2.549 2.659 . 0 0 "[ . 1 . 2]" 1
928 1 79 VAL H 1 79 VAL MG1 . . 4.150 3.789 3.760 3.818 . 0 0 "[ . 1 . 2]" 1
929 1 79 VAL H 1 79 VAL MG2 . . 3.260 2.219 1.927 2.439 . 0 0 "[ . 1 . 2]" 1
930 1 79 VAL HA 1 80 ASN H . . 3.230 2.220 2.160 2.260 . 0 0 "[ . 1 . 2]" 1
931 1 79 VAL MG1 1 80 ASN H . . 3.460 2.266 2.104 2.422 . 0 0 "[ . 1 . 2]" 1
932 1 79 VAL MG1 1 81 LYS H . . 4.660 4.425 4.206 4.655 . 0 0 "[ . 1 . 2]" 1
933 1 79 VAL MG2 1 80 ASN H . . 4.360 3.988 3.939 4.079 . 0 0 "[ . 1 . 2]" 1
934 1 80 ASN HA 1 81 LYS H . . 3.120 2.223 2.167 2.331 . 0 0 "[ . 1 . 2]" 1
935 1 80 ASN HB2 1 81 LYS H . . 3.510 2.989 2.688 3.203 . 0 0 "[ . 1 . 2]" 1
936 1 80 ASN HB3 1 81 LYS H . . 4.250 4.131 3.937 4.249 . 0 0 "[ . 1 . 2]" 1
937 1 80 ASN QD 1 81 LYS H . . 4.550 3.847 3.041 4.525 . 0 0 "[ . 1 . 2]" 1
938 1 80 ASN QD 1 82 THR HB . . 4.270 3.445 2.753 4.029 . 0 0 "[ . 1 . 2]" 1
939 1 80 ASN QD 1 82 THR MG . . 4.550 4.478 3.881 4.792 0.242 7 0 "[ . 1 . 2]" 1
940 1 81 LYS H 1 81 LYS HB2 . . 3.560 2.091 2.059 2.259 . 0 0 "[ . 1 . 2]" 1
941 1 81 LYS H 1 81 LYS QB . . 3.070 2.070 2.038 2.234 . 0 0 "[ . 1 . 2]" 1
942 1 81 LYS H 1 81 LYS HB3 . . 3.560 3.316 3.192 3.535 . 0 0 "[ . 1 . 2]" 1
943 1 81 LYS H 1 81 LYS HG2 . . 4.360 3.998 3.305 4.354 . 0 0 "[ . 1 . 2]" 1
944 1 81 LYS H 1 81 LYS HG3 . . 4.360 3.546 2.804 3.946 . 0 0 "[ . 1 . 2]" 1
945 1 81 LYS HA 1 82 THR H . . 3.060 2.269 2.147 2.425 . 0 0 "[ . 1 . 2]" 1
946 1 81 LYS HA 1 82 THR MG . . 4.360 3.629 3.392 3.821 . 0 0 "[ . 1 . 2]" 1
947 1 81 LYS QB 1 81 LYS QE . . 4.180 2.333 1.959 2.724 . 0 0 "[ . 1 . 2]" 1
948 1 81 LYS QB 1 82 THR H . . 4.310 3.036 2.538 3.421 . 0 0 "[ . 1 . 2]" 1
949 1 81 LYS HB2 1 82 THR H . . 5.070 4.218 3.925 4.476 . 0 0 "[ . 1 . 2]" 1
950 1 81 LYS HB3 1 82 THR H . . 5.070 3.117 2.570 3.551 . 0 0 "[ . 1 . 2]" 1
951 1 81 LYS QE 1 81 LYS HG2 . . 3.630 2.776 1.976 3.306 . 0 0 "[ . 1 . 2]" 1
952 1 81 LYS QE 1 81 LYS HG3 . . 3.550 2.710 2.072 3.403 . 0 0 "[ . 1 . 2]" 1
953 1 81 LYS HE2 1 81 LYS HG2 . . 4.150 3.475 2.667 4.044 . 0 0 "[ . 1 . 2]" 1
954 1 81 LYS HE3 1 81 LYS HG2 . . 4.150 3.032 2.001 4.038 . 0 0 "[ . 1 . 2]" 1
955 1 81 LYS HG2 1 82 THR H . . 4.150 3.105 2.545 3.903 . 0 0 "[ . 1 . 2]" 1
956 1 81 LYS HG3 1 82 THR H . . 5.400 4.479 4.094 5.047 . 0 0 "[ . 1 . 2]" 1
957 1 82 THR H 1 82 THR HB . . 4.150 3.298 3.055 3.498 . 0 0 "[ . 1 . 2]" 1
958 1 82 THR H 1 82 THR MG . . 3.370 2.188 1.967 2.558 . 0 0 "[ . 1 . 2]" 1
959 1 83 SER HB2 1 84 GLY H . . 5.380 3.835 2.145 4.549 . 0 0 "[ . 1 . 2]" 1
960 1 83 SER HB3 1 84 GLY H . . 5.380 3.802 2.618 4.633 . 0 0 "[ . 1 . 2]" 1
961 1 84 GLY QA 1 85 PRO QD . . 2.800 2.021 1.960 2.035 . 0 0 "[ . 1 . 2]" 1
962 1 84 GLY HA2 1 85 PRO HD2 . . 3.820 2.726 2.562 3.005 . 0 0 "[ . 1 . 2]" 1
963 1 84 GLY HA2 1 85 PRO HD3 . . 3.820 2.489 2.375 2.715 . 0 0 "[ . 1 . 2]" 1
964 1 84 GLY HA3 1 85 PRO HD2 . . 3.820 2.315 2.084 2.463 . 0 0 "[ . 1 . 2]" 1
965 1 84 GLY HA3 1 85 PRO HD3 . . 3.820 3.194 2.920 3.350 . 0 0 "[ . 1 . 2]" 1
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