NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399919 |
1uhf   |
5867 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1uhf
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 1141
_Distance_constraint_stats_list.Viol_count 1131
_Distance_constraint_stats_list.Viol_total 2009.648
_Distance_constraint_stats_list.Viol_max 1.251
_Distance_constraint_stats_list.Viol_rms 0.0437
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0888
_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 7 GLY 0.009 0.009 18 0 "[ . 1 . 2]"
1 8 GLY 1.595 0.647 4 2 "[ +. - . 2]"
1 9 GLU 2.330 0.647 4 2 "[ +. - . 2]"
1 10 GLU 1.994 0.570 10 1 "[ . + . 2]"
1 11 TYR 2.685 0.077 13 0 "[ . 1 . 2]"
1 12 ILE 9.488 0.718 14 13 "[* .** *****+-** *]"
1 13 ALA 0.396 0.168 15 0 "[ . 1 . 2]"
1 14 LEU 2.036 0.458 4 0 "[ . 1 . 2]"
1 15 TYR 0.002 0.001 4 0 "[ . 1 . 2]"
1 16 PRO 0.227 0.036 13 0 "[ . 1 . 2]"
1 17 TYR 0.977 0.315 1 0 "[ . 1 . 2]"
1 18 SER 0.759 0.117 8 0 "[ . 1 . 2]"
1 19 SER 1.142 0.360 1 0 "[ . 1 . 2]"
1 20 VAL 1.026 0.475 2 0 "[ . 1 . 2]"
1 21 GLU 1.437 0.475 2 0 "[ . 1 . 2]"
1 22 PRO 3.560 0.180 11 0 "[ . 1 . 2]"
1 23 GLY 3.147 0.180 11 0 "[ . 1 . 2]"
1 24 ASP 0.665 0.056 12 0 "[ . 1 . 2]"
1 25 LEU 1.093 0.148 1 0 "[ . 1 . 2]"
1 26 THR 1.048 0.360 1 0 "[ . 1 . 2]"
1 27 PHE 0.540 0.033 8 0 "[ . 1 . 2]"
1 28 THR 3.499 0.655 4 3 "[ * +. 1 - 2]"
1 29 GLU 1.247 0.066 11 0 "[ . 1 . 2]"
1 30 GLY 0.013 0.004 11 0 "[ . 1 . 2]"
1 31 GLU 7.097 0.655 4 3 "[ * +. 1 - 2]"
1 32 GLU 1.755 0.496 4 0 "[ . 1 . 2]"
1 33 ILE 0.094 0.012 18 0 "[ . 1 . 2]"
1 34 LEU 0.119 0.039 18 0 "[ . 1 . 2]"
1 35 VAL 0.680 0.037 8 0 "[ . 1 . 2]"
1 36 THR 0.028 0.010 2 0 "[ . 1 . 2]"
1 37 GLN 2.740 0.439 18 0 "[ . 1 . 2]"
1 38 LYS 0.442 0.020 19 0 "[ . 1 . 2]"
1 39 ASP 0.507 0.073 18 0 "[ . 1 . 2]"
1 40 GLY 4.595 0.454 9 0 "[ . 1 . 2]"
1 41 GLU 11.450 0.995 11 1 "[ . 1+ . 2]"
1 42 TRP 4.881 0.995 11 1 "[ . 1+ . 2]"
1 43 TRP 5.193 0.288 7 0 "[ . 1 . 2]"
1 44 THR 6.288 0.888 5 4 "[* + - * . 2]"
1 45 GLY 0.425 0.037 8 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 9.351 1.251 17 10 "[* * - *** * +* *]"
1 48 GLY 0.471 0.471 7 0 "[ . 1 . 2]"
1 49 ASP 1.128 0.585 5 1 "[ + 1 . 2]"
1 50 ARG 9.903 1.251 17 10 "[* * - *** * +* *]"
1 51 SER 7.596 0.993 5 4 "[* + - * . 2]"
1 52 GLY 3.948 0.993 5 4 "[- + * * . 2]"
1 53 ILE 0.470 0.056 12 0 "[ . 1 . 2]"
1 54 PHE 0.684 0.110 10 0 "[ . 1 . 2]"
1 55 PRO 0.414 0.062 8 0 "[ . 1 . 2]"
1 56 SER 0.080 0.013 10 0 "[ . 1 . 2]"
1 57 ASN 2.818 0.694 9 3 "[ - * +1 . 2]"
1 58 TYR 3.225 0.694 9 3 "[ - * +1 . 2]"
1 59 VAL 1.579 0.069 20 0 "[ . 1 . 2]"
1 60 LYS 15.558 0.704 3 2 "[ + . -1 . 2]"
1 61 PRO 9.789 0.486 10 0 "[ . 1 . 2]"
1 62 LYS 20.557 0.718 14 13 "[* .** *****+*** -]"
1 63 ASP 2.868 0.619 10 4 "[* . + * -]"
1 64 SER 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 7 GLY H 1 8 GLY H . . 4.110 3.386 2.175 4.092 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY HA2 1 8 GLY H . . 3.630 2.908 2.215 3.639 0.009 18 0 "[ . 1 . 2]" 1
3 1 8 GLY H 1 34 LEU QD . . 4.800 4.003 3.387 4.449 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLY H 1 36 THR MG . . 5.290 4.623 3.920 5.105 . 0 0 "[ . 1 . 2]" 1
5 1 8 GLY HA2 1 9 GLU H . . 3.250 2.364 2.267 2.737 . 0 0 "[ . 1 . 2]" 1
6 1 8 GLY HA2 1 9 GLU HB2 . . 4.860 4.363 4.181 4.767 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLY HA2 1 9 GLU HG3 . . 4.850 4.566 3.673 5.497 0.647 4 2 "[ +. - . 2]" 1
8 1 8 GLY HA2 1 34 LEU QD . . 4.590 3.489 2.946 3.982 . 0 0 "[ . 1 . 2]" 1
9 1 8 GLY HA2 1 34 LEU HG . . 5.150 4.359 3.834 5.022 . 0 0 "[ . 1 . 2]" 1
10 1 8 GLY HA2 1 36 THR HA . . 3.980 2.383 2.000 2.905 . 0 0 "[ . 1 . 2]" 1
11 1 8 GLY HA2 1 36 THR MG . . 4.010 3.004 2.641 3.564 . 0 0 "[ . 1 . 2]" 1
12 1 8 GLY HA3 1 9 GLU H . . 3.460 2.932 2.508 3.074 . 0 0 "[ . 1 . 2]" 1
13 1 8 GLY HA3 1 34 LEU QD . . 3.710 2.421 1.973 2.745 . 0 0 "[ . 1 . 2]" 1
14 1 8 GLY HA3 1 34 LEU HG . . 4.100 3.230 2.482 3.947 . 0 0 "[ . 1 . 2]" 1
15 1 8 GLY HA3 1 35 VAL H . . 5.290 5.095 4.559 5.289 . 0 0 "[ . 1 . 2]" 1
16 1 8 GLY HA3 1 36 THR MG . . 3.620 2.756 2.246 3.138 . 0 0 "[ . 1 . 2]" 1
17 1 9 GLU H 1 9 GLU HB2 . . 3.640 2.423 2.322 2.553 . 0 0 "[ . 1 . 2]" 1
18 1 9 GLU H 1 9 GLU HG3 . . 3.900 3.634 2.954 4.293 0.393 4 0 "[ . 1 . 2]" 1
19 1 9 GLU H 1 10 GLU H . . 4.390 4.363 4.309 4.405 0.015 9 0 "[ . 1 . 2]" 1
20 1 9 GLU H 1 11 TYR QE . . 5.420 4.914 4.554 5.192 . 0 0 "[ . 1 . 2]" 1
21 1 9 GLU H 1 34 LEU QD . . 4.430 2.916 2.517 3.457 . 0 0 "[ . 1 . 2]" 1
22 1 9 GLU H 1 34 LEU HG . . 5.230 4.217 3.533 4.781 . 0 0 "[ . 1 . 2]" 1
23 1 9 GLU H 1 35 VAL H . . 3.870 3.259 2.895 3.634 . 0 0 "[ . 1 . 2]" 1
24 1 9 GLU H 1 35 VAL HB . . 4.280 3.127 2.874 3.386 . 0 0 "[ . 1 . 2]" 1
25 1 9 GLU H 1 35 VAL MG1 . . 5.230 3.926 3.154 4.271 . 0 0 "[ . 1 . 2]" 1
26 1 9 GLU H 1 36 THR HA . . 5.030 3.448 3.158 3.675 . 0 0 "[ . 1 . 2]" 1
27 1 9 GLU HA 1 10 GLU H . . 3.210 2.209 2.205 2.218 . 0 0 "[ . 1 . 2]" 1
28 1 9 GLU HB2 1 10 GLU H . . 5.040 4.464 4.376 4.560 . 0 0 "[ . 1 . 2]" 1
29 1 9 GLU HB2 1 11 TYR QD . . 3.960 3.371 2.905 3.703 . 0 0 "[ . 1 . 2]" 1
30 1 9 GLU HB2 1 11 TYR QE . . 3.120 2.720 2.271 3.068 . 0 0 "[ . 1 . 2]" 1
31 1 9 GLU HB2 1 35 VAL H . . 4.800 4.016 3.303 4.520 . 0 0 "[ . 1 . 2]" 1
32 1 9 GLU HB2 1 35 VAL MG1 . . 4.520 3.523 2.737 4.205 . 0 0 "[ . 1 . 2]" 1
33 1 9 GLU HB2 1 35 VAL MG2 . . 4.810 4.024 3.565 4.407 . 0 0 "[ . 1 . 2]" 1
34 1 9 GLU HB3 1 10 GLU H . . 4.300 3.515 3.427 3.637 . 0 0 "[ . 1 . 2]" 1
35 1 9 GLU HB3 1 11 TYR QE . . 3.240 2.162 1.997 2.499 . 0 0 "[ . 1 . 2]" 1
36 1 9 GLU HB3 1 35 VAL H . . 5.320 4.595 4.088 4.982 . 0 0 "[ . 1 . 2]" 1
37 1 9 GLU HG3 1 11 TYR QE . . 4.660 4.169 3.357 4.663 0.003 19 0 "[ . 1 . 2]" 1
38 1 10 GLU H 1 10 GLU HB2 . . 3.350 2.316 2.275 2.362 . 0 0 "[ . 1 . 2]" 1
39 1 10 GLU H 1 10 GLU HB3 . . 3.990 3.539 3.521 3.555 . 0 0 "[ . 1 . 2]" 1
40 1 10 GLU H 1 10 GLU QG . . 3.390 3.040 2.575 3.199 . 0 0 "[ . 1 . 2]" 1
41 1 10 GLU H 1 11 TYR H . . 5.000 4.565 4.480 4.633 . 0 0 "[ . 1 . 2]" 1
42 1 10 GLU H 1 11 TYR QD . . 5.500 4.374 4.190 4.592 . 0 0 "[ . 1 . 2]" 1
43 1 10 GLU H 1 34 LEU QD . . 4.600 3.466 3.255 3.685 . 0 0 "[ . 1 . 2]" 1
44 1 10 GLU HA 1 11 TYR H . . 2.990 2.238 2.202 2.290 . 0 0 "[ . 1 . 2]" 1
45 1 10 GLU HB2 1 11 TYR H . . 4.700 4.321 4.199 4.479 . 0 0 "[ . 1 . 2]" 1
46 1 10 GLU HB2 1 62 LYS H . . 4.130 4.102 3.992 4.158 0.028 15 0 "[ . 1 . 2]" 1
47 1 10 GLU HB2 1 62 LYS QB . . 3.800 2.532 2.432 2.599 . 0 0 "[ . 1 . 2]" 1
48 1 10 GLU HB2 1 62 LYS HG2 . . 4.700 4.408 3.036 4.747 0.047 19 0 "[ . 1 . 2]" 1
49 1 10 GLU HB3 1 11 TYR H . . 4.340 3.313 3.056 3.596 . 0 0 "[ . 1 . 2]" 1
50 1 10 GLU HB3 1 34 LEU QD . . 5.260 4.108 3.842 4.523 . 0 0 "[ . 1 . 2]" 1
51 1 10 GLU HB3 1 62 LYS HA . . 5.130 5.172 5.132 5.205 0.075 19 0 "[ . 1 . 2]" 1
52 1 10 GLU HB3 1 62 LYS QB . . 3.800 2.436 2.380 2.471 . 0 0 "[ . 1 . 2]" 1
53 1 10 GLU HB3 1 62 LYS HD2 . . 3.810 3.423 2.540 3.712 . 0 0 "[ . 1 . 2]" 1
54 1 10 GLU HB3 1 62 LYS HD3 . . 4.040 2.292 1.966 3.694 . 0 0 "[ . 1 . 2]" 1
55 1 10 GLU HB3 1 62 LYS HE2 . . 4.980 3.596 2.196 5.550 0.570 10 1 "[ . + . 2]" 1
56 1 10 GLU HB3 1 62 LYS HG2 . . 4.540 4.111 3.362 4.454 . 0 0 "[ . 1 . 2]" 1
57 1 10 GLU QG 1 11 TYR H . . 4.500 3.993 3.797 4.181 . 0 0 "[ . 1 . 2]" 1
58 1 10 GLU QG 1 34 LEU QB . . 4.430 3.582 2.792 3.992 . 0 0 "[ . 1 . 2]" 1
59 1 10 GLU QG 1 34 LEU QD . . 3.550 2.015 1.772 2.538 . 0 0 "[ . 1 . 2]" 1
60 1 11 TYR H 1 11 TYR HB2 . . 3.530 2.384 2.256 2.467 . 0 0 "[ . 1 . 2]" 1
61 1 11 TYR H 1 11 TYR HB3 . . 3.520 3.482 3.408 3.542 0.022 6 0 "[ . 1 . 2]" 1
62 1 11 TYR H 1 11 TYR QD . . 3.800 3.448 3.356 3.562 . 0 0 "[ . 1 . 2]" 1
63 1 11 TYR H 1 33 ILE H . . 4.150 3.475 3.033 3.674 . 0 0 "[ . 1 . 2]" 1
64 1 11 TYR H 1 33 ILE HB . . 4.610 4.182 3.825 4.376 . 0 0 "[ . 1 . 2]" 1
65 1 11 TYR H 1 33 ILE MG . . 5.410 4.510 4.056 4.835 . 0 0 "[ . 1 . 2]" 1
66 1 11 TYR H 1 35 VAL MG2 . . 4.670 3.808 3.441 3.997 . 0 0 "[ . 1 . 2]" 1
67 1 11 TYR H 1 62 LYS H . . 5.500 4.448 4.316 4.558 . 0 0 "[ . 1 . 2]" 1
68 1 11 TYR HA 1 11 TYR QD . . 3.940 3.050 2.971 3.087 . 0 0 "[ . 1 . 2]" 1
69 1 11 TYR HA 1 12 ILE H . . 3.330 2.303 2.270 2.350 . 0 0 "[ . 1 . 2]" 1
70 1 11 TYR HA 1 60 LYS H . . 5.490 4.218 4.061 4.346 . 0 0 "[ . 1 . 2]" 1
71 1 11 TYR HA 1 61 PRO HA . . 3.180 2.833 2.716 2.933 . 0 0 "[ . 1 . 2]" 1
72 1 11 TYR HA 1 62 LYS H . . 3.380 2.274 2.139 2.383 . 0 0 "[ . 1 . 2]" 1
73 1 11 TYR HA 1 62 LYS HA . . 5.010 4.129 3.990 4.302 . 0 0 "[ . 1 . 2]" 1
74 1 11 TYR HB2 1 33 ILE H . . 4.500 4.061 3.830 4.326 . 0 0 "[ . 1 . 2]" 1
75 1 11 TYR HB2 1 33 ILE HB . . 3.890 3.402 3.193 3.540 . 0 0 "[ . 1 . 2]" 1
76 1 11 TYR HB2 1 33 ILE MD . . 4.860 4.535 4.355 4.686 . 0 0 "[ . 1 . 2]" 1
77 1 11 TYR HB2 1 33 ILE MG . . 4.710 3.720 3.257 4.133 . 0 0 "[ . 1 . 2]" 1
78 1 11 TYR HB2 1 35 VAL MG2 . . 3.400 2.413 2.132 2.599 . 0 0 "[ . 1 . 2]" 1
79 1 11 TYR HB2 1 59 VAL HB . . 3.430 3.474 3.442 3.499 0.069 20 0 "[ . 1 . 2]" 1
80 1 11 TYR HB2 1 59 VAL MG1 . . 4.180 4.193 4.178 4.208 0.028 18 0 "[ . 1 . 2]" 1
81 1 11 TYR HB2 1 59 VAL MG2 . . 4.090 3.808 3.262 4.022 . 0 0 "[ . 1 . 2]" 1
82 1 11 TYR HB3 1 12 ILE H . . 3.660 3.094 2.955 3.198 . 0 0 "[ . 1 . 2]" 1
83 1 11 TYR HB3 1 35 VAL MG2 . . 3.790 3.545 3.327 3.722 . 0 0 "[ . 1 . 2]" 1
84 1 11 TYR HB3 1 59 VAL HA . . 4.840 3.974 3.908 4.072 . 0 0 "[ . 1 . 2]" 1
85 1 11 TYR HB3 1 59 VAL HB . . 3.150 2.017 1.986 2.082 . 0 0 "[ . 1 . 2]" 1
86 1 11 TYR HB3 1 59 VAL MG1 . . 3.910 3.418 3.355 3.467 . 0 0 "[ . 1 . 2]" 1
87 1 11 TYR HB3 1 59 VAL MG2 . . 3.770 3.119 2.601 3.309 . 0 0 "[ . 1 . 2]" 1
88 1 11 TYR HB3 1 60 LYS H . . 4.430 3.468 3.257 3.612 . 0 0 "[ . 1 . 2]" 1
89 1 11 TYR HB3 1 61 PRO HA . . 4.740 4.710 4.615 4.766 0.026 15 0 "[ . 1 . 2]" 1
90 1 11 TYR HB3 1 62 LYS H . . 5.320 4.984 4.838 5.115 . 0 0 "[ . 1 . 2]" 1
91 1 11 TYR QD 1 12 ILE H . . 4.500 3.388 3.261 3.523 . 0 0 "[ . 1 . 2]" 1
92 1 11 TYR QD 1 33 ILE HB . . 5.290 5.184 5.008 5.298 0.008 17 0 "[ . 1 . 2]" 1
93 1 11 TYR QD 1 35 VAL H . . 4.470 3.199 3.032 3.331 . 0 0 "[ . 1 . 2]" 1
94 1 11 TYR QD 1 35 VAL HB . . 3.600 2.846 2.399 3.232 . 0 0 "[ . 1 . 2]" 1
95 1 11 TYR QD 1 35 VAL MG1 . . 4.550 4.066 3.715 4.432 . 0 0 "[ . 1 . 2]" 1
96 1 11 TYR QD 1 35 VAL MG2 . . 3.080 2.471 2.230 2.731 . 0 0 "[ . 1 . 2]" 1
97 1 11 TYR QD 1 43 TRP HZ3 . . 4.280 4.173 3.935 4.311 0.031 13 0 "[ . 1 . 2]" 1
98 1 11 TYR QD 1 59 VAL HA . . 5.030 3.915 3.776 4.049 . 0 0 "[ . 1 . 2]" 1
99 1 11 TYR QD 1 59 VAL HB . . 3.270 2.673 2.564 2.934 . 0 0 "[ . 1 . 2]" 1
100 1 11 TYR QD 1 59 VAL MG1 . . 4.440 4.159 4.086 4.238 . 0 0 "[ . 1 . 2]" 1
101 1 11 TYR QD 1 59 VAL MG2 . . 3.130 2.549 2.055 2.814 . 0 0 "[ . 1 . 2]" 1
102 1 11 TYR QD 1 60 LYS H . . 4.200 2.830 2.643 3.038 . 0 0 "[ . 1 . 2]" 1
103 1 11 TYR QD 1 60 LYS HA . . 4.130 2.936 2.891 3.008 . 0 0 "[ . 1 . 2]" 1
104 1 11 TYR QD 1 61 PRO HA . . 3.650 3.357 3.259 3.419 . 0 0 "[ . 1 . 2]" 1
105 1 11 TYR QD 1 61 PRO HD3 . . 4.540 3.902 3.810 3.989 . 0 0 "[ . 1 . 2]" 1
106 1 11 TYR QD 1 62 LYS H . . 5.060 4.265 4.154 4.361 . 0 0 "[ . 1 . 2]" 1
107 1 11 TYR QE 1 35 VAL H . . 5.000 5.013 4.996 5.022 0.022 13 0 "[ . 1 . 2]" 1
108 1 11 TYR QE 1 35 VAL MG1 . . 4.370 3.936 3.403 4.377 0.007 9 0 "[ . 1 . 2]" 1
109 1 11 TYR QE 1 35 VAL MG2 . . 4.090 3.594 3.398 3.825 . 0 0 "[ . 1 . 2]" 1
110 1 11 TYR QE 1 38 LYS HD3 . . 4.820 4.716 4.466 4.828 0.008 3 0 "[ . 1 . 2]" 1
111 1 11 TYR QE 1 38 LYS HE2 . . 4.540 2.841 2.446 3.616 . 0 0 "[ . 1 . 2]" 1
112 1 11 TYR QE 1 38 LYS HE3 . . 4.830 3.473 3.201 3.994 . 0 0 "[ . 1 . 2]" 1
113 1 11 TYR QE 1 43 TRP HZ3 . . 3.740 2.953 2.483 3.195 . 0 0 "[ . 1 . 2]" 1
114 1 11 TYR QE 1 59 VAL MG2 . . 3.960 3.122 2.874 3.372 . 0 0 "[ . 1 . 2]" 1
115 1 11 TYR QE 1 60 LYS HA . . 4.370 3.193 3.029 3.396 . 0 0 "[ . 1 . 2]" 1
116 1 11 TYR QE 1 61 PRO HA . . 4.360 3.569 3.503 3.654 . 0 0 "[ . 1 . 2]" 1
117 1 11 TYR QE 1 61 PRO HB3 . . 4.300 3.491 3.359 3.589 . 0 0 "[ . 1 . 2]" 1
118 1 11 TYR QE 1 61 PRO HD2 . . 4.440 4.486 4.452 4.517 0.077 13 0 "[ . 1 . 2]" 1
119 1 11 TYR QE 1 61 PRO HD3 . . 3.580 2.942 2.919 2.974 . 0 0 "[ . 1 . 2]" 1
120 1 11 TYR QE 1 61 PRO HG3 . . 3.830 3.758 3.630 3.841 0.011 9 0 "[ . 1 . 2]" 1
121 1 12 ILE H 1 12 ILE HB . . 3.520 2.495 2.429 2.557 . 0 0 "[ . 1 . 2]" 1
122 1 12 ILE H 1 12 ILE MD . . 5.050 3.935 3.776 4.037 . 0 0 "[ . 1 . 2]" 1
123 1 12 ILE H 1 12 ILE HG12 . . 4.290 2.559 2.450 2.681 . 0 0 "[ . 1 . 2]" 1
124 1 12 ILE H 1 12 ILE HG13 . . 4.600 3.567 3.488 3.679 . 0 0 "[ . 1 . 2]" 1
125 1 12 ILE H 1 12 ILE MG . . 4.270 3.781 3.749 3.810 . 0 0 "[ . 1 . 2]" 1
126 1 12 ILE H 1 13 ALA H . . 5.400 4.488 4.385 4.573 . 0 0 "[ . 1 . 2]" 1
127 1 12 ILE H 1 59 VAL HA . . 5.370 4.394 4.236 4.542 . 0 0 "[ . 1 . 2]" 1
128 1 12 ILE H 1 59 VAL HB . . 4.120 4.077 3.886 4.144 0.024 13 0 "[ . 1 . 2]" 1
129 1 12 ILE H 1 59 VAL MG1 . . 5.160 5.108 4.954 5.175 0.015 7 0 "[ . 1 . 2]" 1
130 1 12 ILE H 1 59 VAL MG2 . . 5.260 5.022 4.584 5.148 . 0 0 "[ . 1 . 2]" 1
131 1 12 ILE H 1 60 LYS H . . 3.710 2.564 2.425 2.713 . 0 0 "[ . 1 . 2]" 1
132 1 12 ILE H 1 60 LYS HG2 . . 4.200 2.919 2.439 3.286 . 0 0 "[ . 1 . 2]" 1
133 1 12 ILE H 1 61 PRO HA . . 4.350 4.056 3.910 4.170 . 0 0 "[ . 1 . 2]" 1
134 1 12 ILE H 1 62 LYS H . . 4.740 3.704 3.609 3.827 . 0 0 "[ . 1 . 2]" 1
135 1 12 ILE H 1 62 LYS HA . . 5.500 4.112 3.980 4.211 . 0 0 "[ . 1 . 2]" 1
136 1 12 ILE HA 1 13 ALA H . . 2.990 2.225 2.177 2.321 . 0 0 "[ . 1 . 2]" 1
137 1 12 ILE HB 1 12 ILE HG13 . . 2.830 2.289 2.270 2.340 . 0 0 "[ . 1 . 2]" 1
138 1 12 ILE HB 1 13 ALA H . . 4.720 4.173 3.927 4.371 . 0 0 "[ . 1 . 2]" 1
139 1 12 ILE HB 1 60 LYS H . . 4.730 3.535 3.391 3.677 . 0 0 "[ . 1 . 2]" 1
140 1 12 ILE HB 1 60 LYS HB2 . . 5.100 4.719 4.485 5.032 . 0 0 "[ . 1 . 2]" 1
141 1 12 ILE HB 1 60 LYS HE2 . . 4.250 2.887 2.187 3.762 . 0 0 "[ . 1 . 2]" 1
142 1 12 ILE HB 1 60 LYS HG2 . . 3.640 2.077 1.994 2.243 . 0 0 "[ . 1 . 2]" 1
143 1 12 ILE HB 1 62 LYS HA . . 5.010 4.216 4.099 4.282 . 0 0 "[ . 1 . 2]" 1
144 1 12 ILE MD 1 13 ALA H . . 4.810 3.804 3.619 3.946 . 0 0 "[ . 1 . 2]" 1
145 1 12 ILE MD 1 30 GLY HA2 . . 4.960 4.084 3.780 4.372 . 0 0 "[ . 1 . 2]" 1
146 1 12 ILE MD 1 32 GLU HG2 . . 3.900 2.522 2.221 2.746 . 0 0 "[ . 1 . 2]" 1
147 1 12 ILE MD 1 32 GLU HG3 . . 4.060 1.931 1.817 1.979 . 0 0 "[ . 1 . 2]" 1
148 1 12 ILE MD 1 33 ILE H . . 4.780 4.388 3.838 4.791 0.011 4 0 "[ . 1 . 2]" 1
149 1 12 ILE MD 1 62 LYS H . . 5.500 5.056 4.849 5.207 . 0 0 "[ . 1 . 2]" 1
150 1 12 ILE MD 1 62 LYS HA . . 3.880 3.790 3.689 3.882 0.002 13 0 "[ . 1 . 2]" 1
151 1 12 ILE MD 1 62 LYS QB . . 4.450 3.553 2.699 3.875 . 0 0 "[ . 1 . 2]" 1
152 1 12 ILE MD 1 62 LYS HE2 . . 3.840 3.859 1.975 4.558 0.718 14 9 "[ .-* *1***+.** 2]" 1
153 1 12 ILE MD 1 63 ASP H . . 5.370 5.212 5.090 5.330 . 0 0 "[ . 1 . 2]" 1
154 1 12 ILE HG12 1 13 ALA H . . 4.970 4.896 4.818 4.988 0.018 15 0 "[ . 1 . 2]" 1
155 1 12 ILE HG12 1 32 GLU HG2 . . 4.550 3.782 3.695 4.011 . 0 0 "[ . 1 . 2]" 1
156 1 12 ILE HG12 1 62 LYS H . . 5.390 3.783 3.638 3.900 . 0 0 "[ . 1 . 2]" 1
157 1 12 ILE HG12 1 62 LYS HA . . 3.740 2.893 2.741 3.060 . 0 0 "[ . 1 . 2]" 1
158 1 12 ILE HG12 1 62 LYS HE2 . . 5.310 4.904 3.126 5.310 . 0 0 "[ . 1 . 2]" 1
159 1 12 ILE HG12 1 62 LYS HG2 . . 4.520 4.106 3.728 5.175 0.655 1 4 "[+ . * - *]" 1
160 1 12 ILE HG12 1 63 ASP H . . 5.500 4.947 4.774 5.125 . 0 0 "[ . 1 . 2]" 1
161 1 12 ILE HG13 1 12 ILE MG . . 3.310 2.637 2.506 2.701 . 0 0 "[ . 1 . 2]" 1
162 1 12 ILE HG13 1 32 GLU HG3 . . 4.890 4.834 4.498 4.926 0.036 4 0 "[ . 1 . 2]" 1
163 1 12 ILE HG13 1 62 LYS HA . . 3.750 2.755 2.574 2.960 . 0 0 "[ . 1 . 2]" 1
164 1 12 ILE MG 1 13 ALA H . . 3.620 2.580 2.211 2.934 . 0 0 "[ . 1 . 2]" 1
165 1 12 ILE MG 1 13 ALA MB . . 4.290 3.644 3.512 3.848 . 0 0 "[ . 1 . 2]" 1
166 1 12 ILE MG 1 30 GLY H . . 4.370 3.192 2.740 3.446 . 0 0 "[ . 1 . 2]" 1
167 1 12 ILE MG 1 30 GLY HA2 . . 3.490 2.677 2.275 2.915 . 0 0 "[ . 1 . 2]" 1
168 1 12 ILE MG 1 30 GLY HA3 . . 4.270 4.044 3.583 4.274 0.004 11 0 "[ . 1 . 2]" 1
169 1 12 ILE MG 1 31 GLU H . . 5.120 4.433 3.907 4.749 . 0 0 "[ . 1 . 2]" 1
170 1 12 ILE MG 1 32 GLU HG2 . . 4.660 4.646 4.376 4.673 0.013 14 0 "[ . 1 . 2]" 1
171 1 12 ILE MG 1 32 GLU HG3 . . 5.180 3.804 3.672 3.988 . 0 0 "[ . 1 . 2]" 1
172 1 12 ILE MG 1 60 LYS H . . 4.870 4.354 4.190 4.510 . 0 0 "[ . 1 . 2]" 1
173 1 12 ILE MG 1 60 LYS HB3 . . 5.200 5.133 4.923 5.208 0.008 16 0 "[ . 1 . 2]" 1
174 1 12 ILE MG 1 60 LYS HE2 . . 3.940 3.176 2.363 3.906 . 0 0 "[ . 1 . 2]" 1
175 1 12 ILE MG 1 62 LYS HA . . 4.930 4.934 4.820 4.960 0.030 15 0 "[ . 1 . 2]" 1
176 1 13 ALA H 1 13 ALA MB . . 3.060 2.099 1.942 2.193 . 0 0 "[ . 1 . 2]" 1
177 1 13 ALA H 1 29 GLU HA . . 5.140 4.612 4.240 4.856 . 0 0 "[ . 1 . 2]" 1
178 1 13 ALA H 1 30 GLY H . . 4.810 3.253 2.930 3.493 . 0 0 "[ . 1 . 2]" 1
179 1 13 ALA H 1 31 GLU H . . 4.670 3.945 3.533 4.203 . 0 0 "[ . 1 . 2]" 1
180 1 13 ALA H 1 31 GLU HB3 . . 5.070 4.885 4.633 5.076 0.006 7 0 "[ . 1 . 2]" 1
181 1 13 ALA H 1 33 ILE MD . . 4.480 3.237 2.687 3.871 . 0 0 "[ . 1 . 2]" 1
182 1 13 ALA H 1 33 ILE HG13 . . 5.340 4.838 4.478 5.263 . 0 0 "[ . 1 . 2]" 1
183 1 13 ALA H 1 59 VAL MG1 . . 5.170 4.549 4.164 4.926 . 0 0 "[ . 1 . 2]" 1
184 1 13 ALA HA 1 14 LEU H . . 3.000 2.194 2.186 2.220 . 0 0 "[ . 1 . 2]" 1
185 1 13 ALA HA 1 14 LEU HB2 . . 4.990 4.478 4.395 4.568 . 0 0 "[ . 1 . 2]" 1
186 1 13 ALA HA 1 14 LEU HG . . 4.760 4.133 3.960 4.270 . 0 0 "[ . 1 . 2]" 1
187 1 13 ALA HA 1 15 TYR H . . 4.360 3.933 3.649 4.193 . 0 0 "[ . 1 . 2]" 1
188 1 13 ALA HA 1 33 ILE MD . . 4.660 3.105 2.638 3.469 . 0 0 "[ . 1 . 2]" 1
189 1 13 ALA HA 1 59 VAL H . . 5.500 5.099 4.679 5.247 . 0 0 "[ . 1 . 2]" 1
190 1 13 ALA HA 1 59 VAL HA . . 3.290 2.575 2.202 2.692 . 0 0 "[ . 1 . 2]" 1
191 1 13 ALA HA 1 59 VAL HB . . 4.640 3.919 3.392 4.238 . 0 0 "[ . 1 . 2]" 1
192 1 13 ALA HA 1 59 VAL MG1 . . 3.160 2.548 2.220 2.892 . 0 0 "[ . 1 . 2]" 1
193 1 13 ALA HA 1 60 LYS H . . 4.850 3.928 3.690 4.030 . 0 0 "[ . 1 . 2]" 1
194 1 13 ALA MB 1 14 LEU H . . 3.980 3.410 3.245 3.558 . 0 0 "[ . 1 . 2]" 1
195 1 13 ALA MB 1 14 LEU HA . . 4.870 4.497 4.399 4.585 . 0 0 "[ . 1 . 2]" 1
196 1 13 ALA MB 1 15 TYR H . . 4.080 3.634 3.139 4.032 . 0 0 "[ . 1 . 2]" 1
197 1 13 ALA MB 1 27 PHE HB2 . . 4.460 3.420 3.226 3.621 . 0 0 "[ . 1 . 2]" 1
198 1 13 ALA MB 1 27 PHE HB3 . . 4.730 4.544 4.377 4.734 0.004 12 0 "[ . 1 . 2]" 1
199 1 13 ALA MB 1 27 PHE QD . . 3.210 2.346 2.042 2.684 . 0 0 "[ . 1 . 2]" 1
200 1 13 ALA MB 1 27 PHE QE . . 3.570 2.661 2.113 3.133 . 0 0 "[ . 1 . 2]" 1
201 1 13 ALA MB 1 28 THR HA . . 4.960 4.277 4.160 4.444 . 0 0 "[ . 1 . 2]" 1
202 1 13 ALA MB 1 29 GLU HA . . 3.340 2.278 1.972 2.488 . 0 0 "[ . 1 . 2]" 1
203 1 13 ALA MB 1 29 GLU HB2 . . 5.140 4.119 3.913 4.320 . 0 0 "[ . 1 . 2]" 1
204 1 13 ALA MB 1 29 GLU HG2 . . 4.770 4.157 3.905 4.375 . 0 0 "[ . 1 . 2]" 1
205 1 13 ALA MB 1 30 GLY H . . 3.410 2.382 2.121 2.651 . 0 0 "[ . 1 . 2]" 1
206 1 13 ALA MB 1 30 GLY HA2 . . 4.980 4.160 3.880 4.645 . 0 0 "[ . 1 . 2]" 1
207 1 13 ALA MB 1 30 GLY HA3 . . 5.300 4.550 4.336 4.968 . 0 0 "[ . 1 . 2]" 1
208 1 13 ALA MB 1 31 GLU H . . 3.230 2.657 2.418 2.977 . 0 0 "[ . 1 . 2]" 1
209 1 13 ALA MB 1 31 GLU HA . . 5.280 4.348 4.140 4.809 . 0 0 "[ . 1 . 2]" 1
210 1 13 ALA MB 1 31 GLU HB3 . . 3.960 3.698 3.415 3.973 0.013 15 0 "[ . 1 . 2]" 1
211 1 13 ALA MB 1 31 GLU HG3 . . 5.160 4.590 3.842 5.328 0.168 15 0 "[ . 1 . 2]" 1
212 1 13 ALA MB 1 33 ILE H . . 5.500 4.266 4.057 4.649 . 0 0 "[ . 1 . 2]" 1
213 1 13 ALA MB 1 33 ILE MD . . 3.440 1.890 1.758 2.124 . 0 0 "[ . 1 . 2]" 1
214 1 13 ALA MB 1 59 VAL HA . . 4.250 4.198 3.876 4.268 0.018 6 0 "[ . 1 . 2]" 1
215 1 13 ALA MB 1 59 VAL MG1 . . 3.850 3.240 2.945 3.511 . 0 0 "[ . 1 . 2]" 1
216 1 14 LEU H 1 14 LEU HB2 . . 3.560 2.328 2.229 2.421 . 0 0 "[ . 1 . 2]" 1
217 1 14 LEU H 1 14 LEU HB3 . . 4.170 3.523 3.497 3.545 . 0 0 "[ . 1 . 2]" 1
218 1 14 LEU H 1 14 LEU QD . . 4.380 3.144 3.024 3.304 . 0 0 "[ . 1 . 2]" 1
219 1 14 LEU H 1 14 LEU HG . . 3.650 2.475 2.223 2.736 . 0 0 "[ . 1 . 2]" 1
220 1 14 LEU H 1 15 TYR H . . 3.260 2.624 2.424 2.877 . 0 0 "[ . 1 . 2]" 1
221 1 14 LEU H 1 15 TYR QD . . 5.500 4.092 3.771 4.594 . 0 0 "[ . 1 . 2]" 1
222 1 14 LEU H 1 58 TYR HA . . 5.500 3.992 3.734 4.482 . 0 0 "[ . 1 . 2]" 1
223 1 14 LEU H 1 58 TYR HB3 . . 5.500 4.104 3.569 4.631 . 0 0 "[ . 1 . 2]" 1
224 1 14 LEU H 1 59 VAL H . . 5.500 4.400 3.981 4.659 . 0 0 "[ . 1 . 2]" 1
225 1 14 LEU H 1 59 VAL HA . . 3.290 2.564 2.299 2.831 . 0 0 "[ . 1 . 2]" 1
226 1 14 LEU H 1 59 VAL HB . . 5.330 4.839 4.410 5.135 . 0 0 "[ . 1 . 2]" 1
227 1 14 LEU H 1 59 VAL MG1 . . 4.060 3.584 3.184 3.934 . 0 0 "[ . 1 . 2]" 1
228 1 14 LEU H 1 60 LYS H . . 5.200 3.881 3.555 4.288 . 0 0 "[ . 1 . 2]" 1
229 1 14 LEU HA 1 14 LEU QD . . 3.040 2.135 1.968 2.442 . 0 0 "[ . 1 . 2]" 1
230 1 14 LEU HA 1 14 LEU HG . . 3.960 2.831 2.625 3.005 . 0 0 "[ . 1 . 2]" 1
231 1 14 LEU HA 1 29 GLU HA . . 5.220 4.643 4.441 4.812 . 0 0 "[ . 1 . 2]" 1
232 1 14 LEU HA 1 29 GLU HG2 . . 4.750 3.949 3.811 4.176 . 0 0 "[ . 1 . 2]" 1
233 1 14 LEU HA 1 29 GLU HG3 . . 4.950 3.974 3.672 4.171 . 0 0 "[ . 1 . 2]" 1
234 1 14 LEU HA 1 30 GLY H . . 5.140 4.355 4.014 4.595 . 0 0 "[ . 1 . 2]" 1
235 1 14 LEU HB2 1 15 TYR H . . 3.940 2.628 2.395 2.901 . 0 0 "[ . 1 . 2]" 1
236 1 14 LEU HB2 1 15 TYR QD . . 4.070 2.519 2.022 2.839 . 0 0 "[ . 1 . 2]" 1
237 1 14 LEU HB2 1 15 TYR QE . . 4.360 3.043 2.681 3.499 . 0 0 "[ . 1 . 2]" 1
238 1 14 LEU HB2 1 58 TYR HA . . 4.930 2.899 2.268 3.418 . 0 0 "[ . 1 . 2]" 1
239 1 14 LEU HB2 1 59 VAL HA . . 5.040 4.026 3.634 4.388 . 0 0 "[ . 1 . 2]" 1
240 1 14 LEU HB3 1 14 LEU QD . . 3.130 2.127 2.024 2.168 . 0 0 "[ . 1 . 2]" 1
241 1 14 LEU HB3 1 15 TYR H . . 4.430 3.537 3.349 3.791 . 0 0 "[ . 1 . 2]" 1
242 1 14 LEU HB3 1 15 TYR QD . . 4.390 3.257 2.391 3.595 . 0 0 "[ . 1 . 2]" 1
243 1 14 LEU HB3 1 15 TYR QE . . 4.330 2.972 2.405 3.451 . 0 0 "[ . 1 . 2]" 1
244 1 14 LEU QD 1 15 TYR H . . 4.930 4.064 3.888 4.216 . 0 0 "[ . 1 . 2]" 1
245 1 14 LEU QD 1 15 TYR QD . . 4.440 3.560 3.325 3.744 . 0 0 "[ . 1 . 2]" 1
246 1 14 LEU QD 1 15 TYR QE . . 3.740 2.693 2.380 2.954 . 0 0 "[ . 1 . 2]" 1
247 1 14 LEU QD 1 58 TYR HA . . 4.890 2.976 2.588 3.310 . 0 0 "[ . 1 . 2]" 1
248 1 14 LEU QD 1 59 VAL H . . 4.780 3.103 2.321 3.800 . 0 0 "[ . 1 . 2]" 1
249 1 14 LEU QD 1 59 VAL HA . . 4.260 3.393 3.014 3.804 . 0 0 "[ . 1 . 2]" 1
250 1 14 LEU QD 1 60 LYS H . . 4.600 3.393 3.121 3.561 . 0 0 "[ . 1 . 2]" 1
251 1 14 LEU QD 1 60 LYS HA . . 4.890 3.307 2.931 3.692 . 0 0 "[ . 1 . 2]" 1
252 1 14 LEU QD 1 60 LYS HB2 . . 4.060 2.998 2.741 3.493 . 0 0 "[ . 1 . 2]" 1
253 1 14 LEU QD 1 60 LYS HB3 . . 3.560 1.949 1.746 2.418 . 0 0 "[ . 1 . 2]" 1
254 1 14 LEU QD 1 60 LYS HD2 . . 3.270 2.686 1.946 3.728 0.458 4 0 "[ . 1 . 2]" 1
255 1 14 LEU QD 1 60 LYS HE2 . . 4.110 3.362 1.823 4.064 . 0 0 "[ . 1 . 2]" 1
256 1 14 LEU QD 1 60 LYS HG2 . . 3.680 2.702 2.025 3.505 . 0 0 "[ . 1 . 2]" 1
257 1 14 LEU HG 1 15 TYR H . . 5.060 4.524 4.407 4.644 . 0 0 "[ . 1 . 2]" 1
258 1 14 LEU HG 1 59 VAL HA . . 3.740 3.123 2.593 3.479 . 0 0 "[ . 1 . 2]" 1
259 1 14 LEU HG 1 60 LYS H . . 4.520 3.070 2.690 3.396 . 0 0 "[ . 1 . 2]" 1
260 1 14 LEU HG 1 60 LYS HB3 . . 4.640 2.483 2.150 2.775 . 0 0 "[ . 1 . 2]" 1
261 1 15 TYR H 1 15 TYR HB2 . . 3.810 2.643 2.519 2.758 . 0 0 "[ . 1 . 2]" 1
262 1 15 TYR H 1 15 TYR QD . . 4.160 2.555 2.245 2.828 . 0 0 "[ . 1 . 2]" 1
263 1 15 TYR H 1 29 GLU HA . . 4.750 4.147 3.949 4.373 . 0 0 "[ . 1 . 2]" 1
264 1 15 TYR H 1 58 TYR HA . . 5.040 3.797 3.368 4.159 . 0 0 "[ . 1 . 2]" 1
265 1 15 TYR H 1 58 TYR HB3 . . 4.880 3.277 2.117 3.941 . 0 0 "[ . 1 . 2]" 1
266 1 15 TYR H 1 59 VAL HA . . 5.230 4.849 4.582 5.144 . 0 0 "[ . 1 . 2]" 1
267 1 15 TYR HA 1 15 TYR QD . . 3.680 3.057 2.801 3.234 . 0 0 "[ . 1 . 2]" 1
268 1 15 TYR HA 1 15 TYR QE . . 5.100 4.925 4.797 5.033 . 0 0 "[ . 1 . 2]" 1
269 1 15 TYR HA 1 16 PRO HD2 . . 3.190 2.707 2.667 2.759 . 0 0 "[ . 1 . 2]" 1
270 1 15 TYR HA 1 16 PRO HD3 . . 3.160 1.995 1.976 2.022 . 0 0 "[ . 1 . 2]" 1
271 1 15 TYR HA 1 16 PRO HG3 . . 4.900 4.261 4.244 4.285 . 0 0 "[ . 1 . 2]" 1
272 1 15 TYR HA 1 29 GLU HA . . 5.130 3.752 3.630 3.905 . 0 0 "[ . 1 . 2]" 1
273 1 15 TYR HA 1 29 GLU HB2 . . 4.380 2.027 1.985 2.104 . 0 0 "[ . 1 . 2]" 1
274 1 15 TYR HA 1 29 GLU HB3 . . 4.380 3.626 3.567 3.711 . 0 0 "[ . 1 . 2]" 1
275 1 15 TYR HA 1 29 GLU HG3 . . 4.950 3.165 2.975 3.332 . 0 0 "[ . 1 . 2]" 1
276 1 15 TYR HB2 1 16 PRO HD2 . . 3.980 3.592 3.409 3.832 . 0 0 "[ . 1 . 2]" 1
277 1 15 TYR HB2 1 58 TYR HA . . 4.970 4.366 3.785 4.969 . 0 0 "[ . 1 . 2]" 1
278 1 15 TYR HB2 1 58 TYR HB3 . . 4.970 3.645 2.404 4.176 . 0 0 "[ . 1 . 2]" 1
279 1 15 TYR HB2 1 58 TYR QD . . 3.810 2.490 1.988 2.933 . 0 0 "[ . 1 . 2]" 1
280 1 15 TYR HB2 1 58 TYR QE . . 4.100 3.503 2.973 3.959 . 0 0 "[ . 1 . 2]" 1
281 1 15 TYR HB3 1 16 PRO HD2 . . 3.290 2.236 2.152 2.314 . 0 0 "[ . 1 . 2]" 1
282 1 15 TYR HB3 1 16 PRO HD3 . . 3.620 3.201 3.086 3.324 . 0 0 "[ . 1 . 2]" 1
283 1 15 TYR HB3 1 16 PRO HG3 . . 5.150 5.013 4.923 5.090 . 0 0 "[ . 1 . 2]" 1
284 1 15 TYR HB3 1 58 TYR QD . . 4.890 4.013 3.587 4.458 . 0 0 "[ . 1 . 2]" 1
285 1 15 TYR HB3 1 58 TYR QE . . 4.730 4.267 3.708 4.721 . 0 0 "[ . 1 . 2]" 1
286 1 15 TYR QD 1 16 PRO HD2 . . 4.310 3.617 3.253 3.900 . 0 0 "[ . 1 . 2]" 1
287 1 15 TYR QD 1 58 TYR HA . . 3.390 2.493 1.998 2.890 . 0 0 "[ . 1 . 2]" 1
288 1 15 TYR QD 1 58 TYR HB2 . . 5.340 4.625 4.075 5.138 . 0 0 "[ . 1 . 2]" 1
289 1 15 TYR QD 1 58 TYR HB3 . . 4.890 3.385 2.933 4.035 . 0 0 "[ . 1 . 2]" 1
290 1 15 TYR QD 1 58 TYR QD . . 4.460 3.151 1.995 3.633 . 0 0 "[ . 1 . 2]" 1
291 1 15 TYR QE 1 58 TYR HA . . 3.900 3.389 2.724 3.901 0.001 4 0 "[ . 1 . 2]" 1
292 1 16 PRO HA 1 17 TYR H . . 3.040 2.156 2.148 2.173 . 0 0 "[ . 1 . 2]" 1
293 1 16 PRO HA 1 29 GLU H . . 3.290 2.829 2.528 3.031 . 0 0 "[ . 1 . 2]" 1
294 1 16 PRO HA 1 29 GLU HA . . 4.560 3.780 3.531 4.041 . 0 0 "[ . 1 . 2]" 1
295 1 16 PRO HA 1 29 GLU HB2 . . 5.200 3.850 3.582 4.144 . 0 0 "[ . 1 . 2]" 1
296 1 16 PRO HA 1 29 GLU HB3 . . 4.940 4.371 4.060 4.666 . 0 0 "[ . 1 . 2]" 1
297 1 16 PRO HB2 1 17 TYR H . . 4.570 3.922 3.749 4.046 . 0 0 "[ . 1 . 2]" 1
298 1 16 PRO HB2 1 28 THR HB . . 4.920 4.337 4.113 4.459 . 0 0 "[ . 1 . 2]" 1
299 1 16 PRO HB2 1 28 THR MG . . 4.560 3.263 3.006 3.640 . 0 0 "[ . 1 . 2]" 1
300 1 16 PRO HB2 1 29 GLU H . . 3.950 3.740 3.603 3.866 . 0 0 "[ . 1 . 2]" 1
301 1 16 PRO HB3 1 17 TYR H . . 4.310 4.174 4.040 4.275 . 0 0 "[ . 1 . 2]" 1
302 1 16 PRO HB3 1 28 THR MG . . 5.010 2.818 2.595 3.265 . 0 0 "[ . 1 . 2]" 1
303 1 16 PRO HB3 1 29 GLU H . . 4.850 2.038 1.944 2.147 . 0 0 "[ . 1 . 2]" 1
304 1 16 PRO HD2 1 29 GLU H . . 5.160 4.708 4.408 5.140 . 0 0 "[ . 1 . 2]" 1
305 1 16 PRO HD2 1 29 GLU HB2 . . 4.200 3.578 3.527 3.614 . 0 0 "[ . 1 . 2]" 1
306 1 16 PRO HD2 1 29 GLU HB3 . . 4.360 4.371 4.362 4.396 0.036 13 0 "[ . 1 . 2]" 1
307 1 16 PRO HD3 1 29 GLU H . . 4.700 3.498 3.200 3.973 . 0 0 "[ . 1 . 2]" 1
308 1 16 PRO HD3 1 29 GLU HB2 . . 3.870 2.000 1.991 2.030 . 0 0 "[ . 1 . 2]" 1
309 1 16 PRO HD3 1 29 GLU HB3 . . 3.980 2.679 2.649 2.731 . 0 0 "[ . 1 . 2]" 1
310 1 16 PRO HG3 1 29 GLU H . . 4.460 3.150 2.950 3.515 . 0 0 "[ . 1 . 2]" 1
311 1 16 PRO HG3 1 29 GLU HB3 . . 3.400 3.046 2.956 3.115 . 0 0 "[ . 1 . 2]" 1
312 1 17 TYR H 1 17 TYR HB2 . . 4.080 2.791 2.634 2.973 . 0 0 "[ . 1 . 2]" 1
313 1 17 TYR H 1 17 TYR HB3 . . 3.840 2.269 2.124 2.378 . 0 0 "[ . 1 . 2]" 1
314 1 17 TYR H 1 17 TYR QD . . 4.810 4.050 3.848 4.136 . 0 0 "[ . 1 . 2]" 1
315 1 17 TYR H 1 18 SER H . . 4.680 4.372 4.322 4.435 . 0 0 "[ . 1 . 2]" 1
316 1 17 TYR H 1 27 PHE QD . . 4.150 3.014 2.618 3.337 . 0 0 "[ . 1 . 2]" 1
317 1 17 TYR HA 1 18 SER H . . 2.950 2.188 2.187 2.189 . 0 0 "[ . 1 . 2]" 1
318 1 17 TYR HA 1 27 PHE H . . 5.260 5.189 4.993 5.274 0.014 13 0 "[ . 1 . 2]" 1
319 1 17 TYR HB2 1 18 SER H . . 4.830 4.438 4.282 4.508 . 0 0 "[ . 1 . 2]" 1
320 1 17 TYR HB2 1 27 PHE H . . 5.050 5.055 5.031 5.072 0.022 13 0 "[ . 1 . 2]" 1
321 1 17 TYR HB2 1 27 PHE QE . . 4.670 3.086 2.616 3.763 . 0 0 "[ . 1 . 2]" 1
322 1 17 TYR HB2 1 27 PHE HZ . . 4.310 3.357 2.726 3.757 . 0 0 "[ . 1 . 2]" 1
323 1 17 TYR HB2 1 58 TYR QD . . 3.900 2.778 2.393 2.972 . 0 0 "[ . 1 . 2]" 1
324 1 17 TYR HB2 1 58 TYR QE . . 4.290 4.211 3.825 4.303 0.013 8 0 "[ . 1 . 2]" 1
325 1 17 TYR HB3 1 18 SER H . . 5.150 4.437 4.375 4.525 . 0 0 "[ . 1 . 2]" 1
326 1 17 TYR HB3 1 27 PHE H . . 4.170 3.384 3.346 3.447 . 0 0 "[ . 1 . 2]" 1
327 1 17 TYR HB3 1 27 PHE HZ . . 4.440 3.053 2.730 3.325 . 0 0 "[ . 1 . 2]" 1
328 1 17 TYR HB3 1 55 PRO HD2 . . 4.270 4.211 4.027 4.285 0.015 20 0 "[ . 1 . 2]" 1
329 1 17 TYR HB3 1 55 PRO HG3 . . 5.350 5.294 5.177 5.371 0.021 13 0 "[ . 1 . 2]" 1
330 1 17 TYR HB3 1 58 TYR QD . . 4.770 4.374 4.013 4.621 . 0 0 "[ . 1 . 2]" 1
331 1 17 TYR QD 1 18 SER H . . 4.190 3.910 3.769 3.983 . 0 0 "[ . 1 . 2]" 1
332 1 17 TYR QD 1 18 SER HA . . 5.240 4.010 3.680 4.423 . 0 0 "[ . 1 . 2]" 1
333 1 17 TYR QD 1 19 SER HB2 . . 5.110 4.256 3.855 5.425 0.315 1 0 "[ . 1 . 2]" 1
334 1 17 TYR QD 1 26 THR HA . . 3.660 2.866 2.374 3.224 . 0 0 "[ . 1 . 2]" 1
335 1 17 TYR QD 1 27 PHE H . . 4.660 3.317 2.654 3.827 . 0 0 "[ . 1 . 2]" 1
336 1 17 TYR QD 1 55 PRO HG2 . . 4.580 3.393 3.005 3.705 . 0 0 "[ . 1 . 2]" 1
337 1 17 TYR QD 1 55 PRO HG3 . . 4.870 3.017 2.393 3.398 . 0 0 "[ . 1 . 2]" 1
338 1 17 TYR QE 1 19 SER HB2 . . 3.970 3.060 2.383 3.940 . 0 0 "[ . 1 . 2]" 1
339 1 17 TYR QE 1 19 SER HB3 . . 4.260 3.542 2.062 4.136 . 0 0 "[ . 1 . 2]" 1
340 1 17 TYR QE 1 24 ASP HA . . 4.820 4.464 4.190 4.776 . 0 0 "[ . 1 . 2]" 1
341 1 17 TYR QE 1 24 ASP HB2 . . 3.790 3.658 3.380 3.803 0.013 8 0 "[ . 1 . 2]" 1
342 1 17 TYR QE 1 24 ASP HB3 . . 3.170 2.240 2.065 2.560 . 0 0 "[ . 1 . 2]" 1
343 1 17 TYR QE 1 25 LEU H . . 4.540 4.368 3.916 4.543 0.003 10 0 "[ . 1 . 2]" 1
344 1 17 TYR QE 1 26 THR MG . . 4.550 3.905 2.955 4.527 . 0 0 "[ . 1 . 2]" 1
345 1 17 TYR QE 1 54 PHE HA . . 4.090 3.653 3.340 3.850 . 0 0 "[ . 1 . 2]" 1
346 1 17 TYR QE 1 54 PHE HB2 . . 4.880 4.662 4.366 4.880 . 0 0 "[ . 1 . 2]" 1
347 1 17 TYR QE 1 55 PRO HD2 . . 4.340 4.187 3.941 4.341 0.001 18 0 "[ . 1 . 2]" 1
348 1 17 TYR QE 1 55 PRO HD3 . . 4.260 3.166 2.848 3.370 . 0 0 "[ . 1 . 2]" 1
349 1 17 TYR QE 1 55 PRO HG2 . . 4.400 4.121 3.552 4.317 . 0 0 "[ . 1 . 2]" 1
350 1 17 TYR QE 1 55 PRO HG3 . . 4.190 2.734 2.299 2.976 . 0 0 "[ . 1 . 2]" 1
351 1 18 SER H 1 18 SER HB2 . . 3.850 3.430 2.611 3.734 . 0 0 "[ . 1 . 2]" 1
352 1 18 SER H 1 18 SER HB3 . . 3.710 3.314 2.785 3.795 0.085 4 0 "[ . 1 . 2]" 1
353 1 18 SER H 1 19 SER H . . 4.710 4.427 4.235 4.536 . 0 0 "[ . 1 . 2]" 1
354 1 18 SER HA 1 19 SER H . . 2.970 2.291 2.215 2.364 . 0 0 "[ . 1 . 2]" 1
355 1 18 SER HA 1 26 THR MG . . 3.510 3.113 2.493 3.410 . 0 0 "[ . 1 . 2]" 1
356 1 18 SER HB2 1 19 SER H . . 4.220 3.382 2.827 4.232 0.012 15 0 "[ . 1 . 2]" 1
357 1 18 SER HB2 1 26 THR MG . . 4.970 4.520 3.996 4.978 0.008 15 0 "[ . 1 . 2]" 1
358 1 18 SER HB3 1 19 SER H . . 4.220 3.849 2.894 4.222 0.002 5 0 "[ . 1 . 2]" 1
359 1 18 SER HB3 1 26 THR MG . . 4.860 4.645 3.799 4.977 0.117 8 0 "[ . 1 . 2]" 1
360 1 19 SER H 1 19 SER HB2 . . 3.880 3.023 2.369 3.669 . 0 0 "[ . 1 . 2]" 1
361 1 19 SER H 1 19 SER HB3 . . 3.640 3.234 2.492 3.598 . 0 0 "[ . 1 . 2]" 1
362 1 19 SER H 1 20 VAL H . . 4.860 4.206 3.709 4.515 . 0 0 "[ . 1 . 2]" 1
363 1 19 SER H 1 26 THR HA . . 5.340 3.913 3.353 4.344 . 0 0 "[ . 1 . 2]" 1
364 1 19 SER H 1 26 THR HB . . 4.700 3.487 3.127 4.187 . 0 0 "[ . 1 . 2]" 1
365 1 19 SER H 1 26 THR MG . . 3.340 2.008 1.729 2.501 . 0 0 "[ . 1 . 2]" 1
366 1 19 SER H 1 27 PHE H . . 5.500 5.229 4.774 5.513 0.013 15 0 "[ . 1 . 2]" 1
367 1 19 SER HA 1 20 VAL H . . 3.010 2.316 2.216 2.680 . 0 0 "[ . 1 . 2]" 1
368 1 19 SER HA 1 20 VAL MG1 . . 4.710 3.621 3.152 3.910 . 0 0 "[ . 1 . 2]" 1
369 1 19 SER HA 1 20 VAL MG2 . . 4.810 3.841 3.690 4.177 . 0 0 "[ . 1 . 2]" 1
370 1 19 SER HB2 1 20 VAL H . . 4.630 4.230 3.245 4.645 0.015 17 0 "[ . 1 . 2]" 1
371 1 19 SER HB2 1 21 GLU H . . 4.850 4.213 2.463 4.732 . 0 0 "[ . 1 . 2]" 1
372 1 19 SER HB2 1 24 ASP HB2 . . 4.520 3.637 2.450 4.399 . 0 0 "[ . 1 . 2]" 1
373 1 19 SER HB2 1 24 ASP HB3 . . 4.540 3.275 2.113 4.392 . 0 0 "[ . 1 . 2]" 1
374 1 19 SER HB2 1 26 THR MG . . 4.120 3.290 1.937 3.952 . 0 0 "[ . 1 . 2]" 1
375 1 19 SER HB3 1 20 VAL H . . 4.130 3.704 2.835 4.286 0.156 5 0 "[ . 1 . 2]" 1
376 1 19 SER HB3 1 21 GLU H . . 4.540 3.013 2.128 4.351 . 0 0 "[ . 1 . 2]" 1
377 1 19 SER HB3 1 24 ASP HB2 . . 3.930 2.817 2.205 3.603 . 0 0 "[ . 1 . 2]" 1
378 1 19 SER HB3 1 24 ASP HB3 . . 3.990 3.009 2.250 3.826 . 0 0 "[ . 1 . 2]" 1
379 1 19 SER HB3 1 26 THR MG . . 3.520 3.141 2.004 3.880 0.360 1 0 "[ . 1 . 2]" 1
380 1 20 VAL H 1 20 VAL MG1 . . 3.860 2.432 2.062 2.996 . 0 0 "[ . 1 . 2]" 1
381 1 20 VAL H 1 20 VAL MG2 . . 3.170 2.013 1.880 2.195 . 0 0 "[ . 1 . 2]" 1
382 1 20 VAL H 1 21 GLU HB2 . . 5.500 4.646 4.015 5.070 . 0 0 "[ . 1 . 2]" 1
383 1 20 VAL H 1 21 GLU HG3 . . 5.310 4.587 3.704 5.785 0.475 2 0 "[ . 1 . 2]" 1
384 1 20 VAL HA 1 20 VAL MG1 . . 3.210 2.317 2.112 2.477 . 0 0 "[ . 1 . 2]" 1
385 1 20 VAL HB 1 21 GLU H . . 5.040 4.360 4.009 4.533 . 0 0 "[ . 1 . 2]" 1
386 1 20 VAL MG1 1 21 GLU H . . 5.210 4.226 3.915 4.387 . 0 0 "[ . 1 . 2]" 1
387 1 20 VAL MG2 1 21 GLU H . . 4.380 3.340 2.279 4.050 . 0 0 "[ . 1 . 2]" 1
388 1 20 VAL MG2 1 21 GLU HB2 . . 5.150 4.473 3.647 5.128 . 0 0 "[ . 1 . 2]" 1
389 1 20 VAL MG2 1 21 GLU HG2 . . 5.240 3.261 2.107 4.026 . 0 0 "[ . 1 . 2]" 1
390 1 20 VAL MG2 1 21 GLU HG3 . . 4.540 3.661 1.950 4.698 0.158 19 0 "[ . 1 . 2]" 1
391 1 21 GLU H 1 21 GLU HB2 . . 3.450 2.412 2.255 2.605 . 0 0 "[ . 1 . 2]" 1
392 1 21 GLU H 1 21 GLU HB3 . . 3.860 3.585 3.435 3.683 . 0 0 "[ . 1 . 2]" 1
393 1 21 GLU H 1 21 GLU HG2 . . 4.040 3.490 2.414 4.022 . 0 0 "[ . 1 . 2]" 1
394 1 21 GLU H 1 21 GLU HG3 . . 3.850 3.544 2.452 4.020 0.170 6 0 "[ . 1 . 2]" 1
395 1 21 GLU H 1 22 PRO HD2 . . 5.500 5.029 4.992 5.047 . 0 0 "[ . 1 . 2]" 1
396 1 21 GLU H 1 22 PRO HD3 . . 5.320 4.566 4.355 4.681 . 0 0 "[ . 1 . 2]" 1
397 1 21 GLU H 1 24 ASP H . . 5.500 4.374 4.039 4.805 . 0 0 "[ . 1 . 2]" 1
398 1 21 GLU H 1 24 ASP HB2 . . 4.790 3.746 2.757 4.688 . 0 0 "[ . 1 . 2]" 1
399 1 21 GLU H 1 24 ASP HB3 . . 5.490 4.929 4.087 5.336 . 0 0 "[ . 1 . 2]" 1
400 1 21 GLU HA 1 22 PRO HD2 . . 3.080 2.470 2.320 2.564 . 0 0 "[ . 1 . 2]" 1
401 1 21 GLU HA 1 22 PRO HD3 . . 2.900 1.940 1.929 1.957 . 0 0 "[ . 1 . 2]" 1
402 1 21 GLU HA 1 22 PRO HG3 . . 4.810 4.209 4.198 4.219 . 0 0 "[ . 1 . 2]" 1
403 1 21 GLU HB2 1 22 PRO HD2 . . 4.800 4.281 3.914 4.626 . 0 0 "[ . 1 . 2]" 1
404 1 21 GLU HB2 1 22 PRO HD3 . . 5.100 4.695 4.512 4.843 . 0 0 "[ . 1 . 2]" 1
405 1 21 GLU HB2 1 24 ASP H . . 4.880 3.148 2.671 4.301 . 0 0 "[ . 1 . 2]" 1
406 1 21 GLU HB2 1 24 ASP HB2 . . 4.600 2.755 2.103 3.631 . 0 0 "[ . 1 . 2]" 1
407 1 21 GLU HB2 1 24 ASP HB3 . . 4.860 4.245 3.704 4.861 0.001 2 0 "[ . 1 . 2]" 1
408 1 21 GLU HB3 1 22 PRO HD2 . . 4.090 2.868 2.525 3.408 . 0 0 "[ . 1 . 2]" 1
409 1 21 GLU HB3 1 24 ASP H . . 4.870 3.193 2.351 4.169 . 0 0 "[ . 1 . 2]" 1
410 1 21 GLU HB3 1 24 ASP HB2 . . 4.930 3.872 2.847 4.909 . 0 0 "[ . 1 . 2]" 1
411 1 21 GLU HG2 1 22 PRO HD2 . . 5.060 3.892 3.110 4.852 . 0 0 "[ . 1 . 2]" 1
412 1 21 GLU HG3 1 22 PRO HD2 . . 5.020 4.779 4.403 5.037 0.017 16 0 "[ . 1 . 2]" 1
413 1 22 PRO HA 1 23 GLY H . . 3.230 2.929 2.667 3.247 0.017 13 0 "[ . 1 . 2]" 1
414 1 22 PRO HA 1 24 ASP H . . 4.440 4.328 3.321 4.490 0.050 16 0 "[ . 1 . 2]" 1
415 1 22 PRO HB2 1 23 GLY H . . 4.690 4.261 4.021 4.454 . 0 0 "[ . 1 . 2]" 1
416 1 22 PRO HB3 1 23 GLY H . . 4.630 4.678 4.608 4.737 0.107 12 0 "[ . 1 . 2]" 1
417 1 22 PRO HD2 1 23 GLY H . . 4.940 3.475 2.704 4.111 . 0 0 "[ . 1 . 2]" 1
418 1 22 PRO HG2 1 23 GLY H . . 4.860 4.506 3.852 5.040 0.180 11 0 "[ . 1 . 2]" 1
419 1 23 GLY H 1 24 ASP H . . 3.620 2.143 1.867 2.595 . 0 0 "[ . 1 . 2]" 1
420 1 24 ASP H 1 24 ASP HB2 . . 3.360 2.240 2.036 2.494 . 0 0 "[ . 1 . 2]" 1
421 1 24 ASP H 1 24 ASP HB3 . . 3.860 3.381 3.039 3.635 . 0 0 "[ . 1 . 2]" 1
422 1 24 ASP H 1 25 LEU H . . 5.330 4.522 4.183 4.615 . 0 0 "[ . 1 . 2]" 1
423 1 24 ASP HA 1 25 LEU H . . 3.000 2.284 2.252 2.334 . 0 0 "[ . 1 . 2]" 1
424 1 24 ASP HA 1 52 GLY HA2 . . 4.770 4.121 3.829 4.452 . 0 0 "[ . 1 . 2]" 1
425 1 24 ASP HA 1 52 GLY HA3 . . 4.540 3.626 3.246 3.851 . 0 0 "[ . 1 . 2]" 1
426 1 24 ASP HA 1 53 ILE H . . 3.190 1.982 1.935 2.237 . 0 0 "[ . 1 . 2]" 1
427 1 24 ASP HA 1 53 ILE HB . . 4.550 4.437 4.235 4.606 0.056 12 0 "[ . 1 . 2]" 1
428 1 24 ASP HA 1 53 ILE MD . . 4.990 3.603 3.464 3.806 . 0 0 "[ . 1 . 2]" 1
429 1 24 ASP HA 1 53 ILE HG12 . . 3.720 2.513 2.158 3.417 . 0 0 "[ . 1 . 2]" 1
430 1 24 ASP HA 1 53 ILE HG13 . . 3.840 2.132 1.990 2.428 . 0 0 "[ . 1 . 2]" 1
431 1 24 ASP HA 1 53 ILE MG . . 5.140 3.973 3.702 4.144 . 0 0 "[ . 1 . 2]" 1
432 1 24 ASP HB2 1 25 LEU H . . 4.470 4.372 4.180 4.495 0.025 12 0 "[ . 1 . 2]" 1
433 1 24 ASP HB2 1 26 THR MG . . 4.960 3.952 3.250 4.714 . 0 0 "[ . 1 . 2]" 1
434 1 24 ASP HB3 1 25 LEU H . . 3.970 3.426 3.149 3.651 . 0 0 "[ . 1 . 2]" 1
435 1 24 ASP HB3 1 26 THR MG . . 4.820 3.637 3.128 4.350 . 0 0 "[ . 1 . 2]" 1
436 1 25 LEU H 1 25 LEU HB2 . . 3.720 2.389 2.185 2.555 . 0 0 "[ . 1 . 2]" 1
437 1 25 LEU H 1 25 LEU HB3 . . 3.540 2.537 2.413 2.713 . 0 0 "[ . 1 . 2]" 1
438 1 25 LEU H 1 25 LEU MD1 . . 5.240 3.998 3.753 4.165 . 0 0 "[ . 1 . 2]" 1
439 1 25 LEU H 1 25 LEU MD2 . . 5.010 4.176 4.120 4.212 . 0 0 "[ . 1 . 2]" 1
440 1 25 LEU H 1 26 THR H . . 5.270 4.492 4.340 4.654 . 0 0 "[ . 1 . 2]" 1
441 1 25 LEU H 1 52 GLY HA2 . . 5.230 3.981 3.360 4.413 . 0 0 "[ . 1 . 2]" 1
442 1 25 LEU H 1 52 GLY HA3 . . 4.630 2.717 2.202 3.143 . 0 0 "[ . 1 . 2]" 1
443 1 25 LEU H 1 53 ILE H . . 4.030 2.431 2.205 2.731 . 0 0 "[ . 1 . 2]" 1
444 1 25 LEU H 1 53 ILE HA . . 5.500 3.967 3.743 4.126 . 0 0 "[ . 1 . 2]" 1
445 1 25 LEU H 1 53 ILE HG13 . . 4.810 3.533 3.272 3.776 . 0 0 "[ . 1 . 2]" 1
446 1 25 LEU H 1 54 PHE HA . . 5.500 4.216 3.815 4.763 . 0 0 "[ . 1 . 2]" 1
447 1 25 LEU H 1 54 PHE HB2 . . 5.500 5.014 4.595 5.416 . 0 0 "[ . 1 . 2]" 1
448 1 25 LEU H 1 54 PHE HB3 . . 4.710 3.576 3.262 3.938 . 0 0 "[ . 1 . 2]" 1
449 1 25 LEU H 1 54 PHE QD . . 4.900 4.578 4.369 4.826 . 0 0 "[ . 1 . 2]" 1
450 1 25 LEU HA 1 25 LEU MD1 . . 3.120 2.202 2.046 2.535 . 0 0 "[ . 1 . 2]" 1
451 1 25 LEU HA 1 25 LEU HG . . 4.190 2.841 2.725 2.907 . 0 0 "[ . 1 . 2]" 1
452 1 25 LEU HA 1 26 THR H . . 3.040 2.194 2.176 2.300 . 0 0 "[ . 1 . 2]" 1
453 1 25 LEU HB2 1 25 LEU MD1 . . 3.540 2.264 2.087 2.342 . 0 0 "[ . 1 . 2]" 1
454 1 25 LEU HB2 1 25 LEU MD2 . . 3.350 2.511 2.410 2.599 . 0 0 "[ . 1 . 2]" 1
455 1 25 LEU HB2 1 26 THR H . . 4.930 4.438 4.167 4.601 . 0 0 "[ . 1 . 2]" 1
456 1 25 LEU HB2 1 51 SER HA . . 4.800 4.363 4.053 4.638 . 0 0 "[ . 1 . 2]" 1
457 1 25 LEU HB2 1 52 GLY H . . 4.130 3.181 2.839 3.503 . 0 0 "[ . 1 . 2]" 1
458 1 25 LEU HB2 1 52 GLY HA2 . . 4.430 3.695 3.470 3.974 . 0 0 "[ . 1 . 2]" 1
459 1 25 LEU HB2 1 52 GLY HA3 . . 3.990 2.188 1.996 2.560 . 0 0 "[ . 1 . 2]" 1
460 1 25 LEU HB2 1 54 PHE HB3 . . 4.700 4.033 3.797 4.276 . 0 0 "[ . 1 . 2]" 1
461 1 25 LEU HB2 1 54 PHE QD . . 4.360 4.079 3.795 4.343 . 0 0 "[ . 1 . 2]" 1
462 1 25 LEU HB3 1 25 LEU MD2 . . 3.360 2.171 2.067 2.302 . 0 0 "[ . 1 . 2]" 1
463 1 25 LEU HB3 1 26 THR H . . 5.010 4.294 3.905 4.452 . 0 0 "[ . 1 . 2]" 1
464 1 25 LEU HB3 1 27 PHE QD . . 4.320 3.203 2.943 3.703 . 0 0 "[ . 1 . 2]" 1
465 1 25 LEU HB3 1 27 PHE QE . . 5.180 3.345 2.802 3.966 . 0 0 "[ . 1 . 2]" 1
466 1 25 LEU HB3 1 52 GLY H . . 5.030 4.705 4.352 5.033 0.003 6 0 "[ . 1 . 2]" 1
467 1 25 LEU HB3 1 52 GLY HA3 . . 4.840 3.767 3.537 4.064 . 0 0 "[ . 1 . 2]" 1
468 1 25 LEU HB3 1 54 PHE HB2 . . 4.800 4.184 3.928 4.337 . 0 0 "[ . 1 . 2]" 1
469 1 25 LEU HB3 1 54 PHE HB3 . . 3.820 2.698 2.379 2.840 . 0 0 "[ . 1 . 2]" 1
470 1 25 LEU HB3 1 54 PHE QD . . 3.740 3.403 3.202 3.528 . 0 0 "[ . 1 . 2]" 1
471 1 25 LEU MD1 1 26 THR H . . 3.620 3.145 2.526 3.541 . 0 0 "[ . 1 . 2]" 1
472 1 25 LEU MD1 1 27 PHE QD . . 4.610 4.389 4.195 4.570 . 0 0 "[ . 1 . 2]" 1
473 1 25 LEU MD1 1 33 ILE MG . . 4.610 4.305 3.959 4.488 . 0 0 "[ . 1 . 2]" 1
474 1 25 LEU MD1 1 47 ILE H . . 3.900 3.126 2.668 3.518 . 0 0 "[ . 1 . 2]" 1
475 1 25 LEU MD1 1 50 ARG HB2 . . 4.040 2.452 2.061 3.038 . 0 0 "[ . 1 . 2]" 1
476 1 25 LEU MD1 1 50 ARG HB3 . . 3.490 2.328 1.924 2.671 . 0 0 "[ . 1 . 2]" 1
477 1 25 LEU MD1 1 50 ARG QD . . 4.580 3.017 2.771 3.477 . 0 0 "[ . 1 . 2]" 1
478 1 25 LEU MD1 1 50 ARG HE . . 5.010 4.956 4.728 5.029 0.019 17 0 "[ . 1 . 2]" 1
479 1 25 LEU MD1 1 50 ARG QG . . 4.420 3.801 3.419 4.021 . 0 0 "[ . 1 . 2]" 1
480 1 25 LEU MD1 1 51 SER H . . 4.580 3.026 2.927 3.252 . 0 0 "[ . 1 . 2]" 1
481 1 25 LEU MD1 1 51 SER HA . . 3.230 2.678 2.498 2.953 . 0 0 "[ . 1 . 2]" 1
482 1 25 LEU MD1 1 51 SER HB2 . . 4.530 4.561 4.519 4.678 0.148 1 0 "[ . 1 . 2]" 1
483 1 25 LEU MD1 1 52 GLY H . . 4.050 3.015 2.643 3.534 . 0 0 "[ . 1 . 2]" 1
484 1 25 LEU MD1 1 52 GLY HA3 . . 5.130 2.925 2.603 3.275 . 0 0 "[ . 1 . 2]" 1
485 1 25 LEU MD2 1 26 THR H . . 5.140 4.662 4.052 5.042 . 0 0 "[ . 1 . 2]" 1
486 1 25 LEU MD2 1 27 PHE QD . . 3.740 2.831 2.427 3.333 . 0 0 "[ . 1 . 2]" 1
487 1 25 LEU MD2 1 27 PHE QE . . 4.560 3.793 3.499 4.340 . 0 0 "[ . 1 . 2]" 1
488 1 25 LEU MD2 1 33 ILE HB . . 4.720 4.401 4.235 4.575 . 0 0 "[ . 1 . 2]" 1
489 1 25 LEU MD2 1 33 ILE MD . . 3.780 3.525 3.280 3.786 0.006 8 0 "[ . 1 . 2]" 1
490 1 25 LEU MD2 1 33 ILE HG12 . . 4.000 2.350 2.216 2.572 . 0 0 "[ . 1 . 2]" 1
491 1 25 LEU MD2 1 33 ILE HG13 . . 3.790 3.772 3.649 3.799 0.009 1 0 "[ . 1 . 2]" 1
492 1 25 LEU MD2 1 33 ILE MG . . 3.220 2.148 1.875 2.358 . 0 0 "[ . 1 . 2]" 1
493 1 25 LEU MD2 1 45 GLY H . . 4.570 3.071 2.802 3.295 . 0 0 "[ . 1 . 2]" 1
494 1 25 LEU MD2 1 45 GLY HA2 . . 5.140 3.720 3.349 3.961 . 0 0 "[ . 1 . 2]" 1
495 1 25 LEU MD2 1 45 GLY HA3 . . 4.210 2.489 2.100 2.782 . 0 0 "[ . 1 . 2]" 1
496 1 25 LEU MD2 1 46 SER H . . 4.900 3.078 2.609 3.441 . 0 0 "[ . 1 . 2]" 1
497 1 25 LEU MD2 1 46 SER HA . . 3.920 2.417 2.206 2.980 . 0 0 "[ . 1 . 2]" 1
498 1 25 LEU MD2 1 47 ILE H . . 4.920 3.378 3.144 3.792 . 0 0 "[ . 1 . 2]" 1
499 1 25 LEU MD2 1 47 ILE HG13 . . 3.550 2.290 1.959 2.664 . 0 0 "[ . 1 . 2]" 1
500 1 25 LEU MD2 1 52 GLY H . . 4.320 3.782 3.487 4.177 . 0 0 "[ . 1 . 2]" 1
501 1 25 LEU MD2 1 54 PHE HB3 . . 4.650 3.618 3.284 3.956 . 0 0 "[ . 1 . 2]" 1
502 1 25 LEU MD2 1 54 PHE QD . . 3.700 3.066 2.900 3.172 . 0 0 "[ . 1 . 2]" 1
503 1 25 LEU MD2 1 54 PHE QE . . 4.160 4.152 3.909 4.174 0.014 13 0 "[ . 1 . 2]" 1
504 1 25 LEU HG 1 26 THR H . . 3.960 3.170 2.387 3.694 . 0 0 "[ . 1 . 2]" 1
505 1 25 LEU HG 1 27 PHE HB2 . . 5.340 5.339 5.287 5.359 0.019 7 0 "[ . 1 . 2]" 1
506 1 25 LEU HG 1 27 PHE HB3 . . 4.950 3.614 3.552 3.648 . 0 0 "[ . 1 . 2]" 1
507 1 25 LEU HG 1 27 PHE QD . . 3.240 2.838 2.580 3.064 . 0 0 "[ . 1 . 2]" 1
508 1 26 THR H 1 26 THR HB . . 3.980 3.558 3.455 3.679 . 0 0 "[ . 1 . 2]" 1
509 1 26 THR H 1 26 THR MG . . 3.650 2.505 2.360 2.821 . 0 0 "[ . 1 . 2]" 1
510 1 26 THR H 1 27 PHE H . . 5.210 4.515 4.390 4.605 . 0 0 "[ . 1 . 2]" 1
511 1 26 THR H 1 27 PHE QD . . 5.210 4.376 3.962 4.779 . 0 0 "[ . 1 . 2]" 1
512 1 26 THR H 1 47 ILE MD . . 4.650 4.640 4.370 4.667 0.017 13 0 "[ . 1 . 2]" 1
513 1 26 THR H 1 50 ARG QD . . 5.500 4.825 4.405 5.326 . 0 0 "[ . 1 . 2]" 1
514 1 26 THR HA 1 26 THR MG . . 3.330 2.366 2.212 2.530 . 0 0 "[ . 1 . 2]" 1
515 1 26 THR HA 1 27 PHE H . . 3.050 2.172 2.155 2.251 . 0 0 "[ . 1 . 2]" 1
516 1 26 THR HB 1 27 PHE H . . 3.530 3.427 3.066 3.540 0.010 7 0 "[ . 1 . 2]" 1
517 1 26 THR MG 1 27 PHE H . . 4.140 4.071 3.874 4.173 0.033 8 0 "[ . 1 . 2]" 1
518 1 27 PHE H 1 27 PHE QD . . 4.440 3.115 2.800 3.268 . 0 0 "[ . 1 . 2]" 1
519 1 27 PHE H 1 28 THR H . . 5.210 4.393 4.355 4.407 . 0 0 "[ . 1 . 2]" 1
520 1 27 PHE HA 1 28 THR H . . 3.220 2.549 2.429 2.727 . 0 0 "[ . 1 . 2]" 1
521 1 27 PHE HA 1 47 ILE MD . . 4.470 3.493 3.274 3.786 . 0 0 "[ . 1 . 2]" 1
522 1 27 PHE HB2 1 28 THR H . . 3.410 2.373 2.018 2.636 . 0 0 "[ . 1 . 2]" 1
523 1 27 PHE HB2 1 31 GLU H . . 5.330 4.705 4.528 4.975 . 0 0 "[ . 1 . 2]" 1
524 1 27 PHE HB2 1 31 GLU HB3 . . 3.750 3.114 2.899 3.479 . 0 0 "[ . 1 . 2]" 1
525 1 27 PHE HB2 1 31 GLU HG2 . . 5.150 4.448 3.431 5.018 . 0 0 "[ . 1 . 2]" 1
526 1 27 PHE HB2 1 31 GLU HG3 . . 4.970 3.500 2.889 4.732 . 0 0 "[ . 1 . 2]" 1
527 1 27 PHE HB2 1 33 ILE MD . . 4.820 2.819 2.559 3.427 . 0 0 "[ . 1 . 2]" 1
528 1 27 PHE HB2 1 47 ILE MD . . 3.660 2.885 2.494 3.362 . 0 0 "[ . 1 . 2]" 1
529 1 27 PHE HB3 1 28 THR H . . 3.790 3.710 3.504 3.802 0.012 1 0 "[ . 1 . 2]" 1
530 1 27 PHE HB3 1 31 GLU HB3 . . 4.620 4.137 3.910 4.572 . 0 0 "[ . 1 . 2]" 1
531 1 27 PHE HB3 1 33 ILE MD . . 4.900 3.233 2.901 3.699 . 0 0 "[ . 1 . 2]" 1
532 1 27 PHE HB3 1 47 ILE MD . . 3.240 2.065 1.890 2.530 . 0 0 "[ . 1 . 2]" 1
533 1 27 PHE QD 1 28 THR H . . 4.740 3.307 2.899 3.741 . 0 0 "[ . 1 . 2]" 1
534 1 27 PHE QD 1 28 THR HA . . 3.860 3.504 3.094 3.821 . 0 0 "[ . 1 . 2]" 1
535 1 27 PHE QD 1 29 GLU HA . . 5.300 4.222 3.996 4.533 . 0 0 "[ . 1 . 2]" 1
536 1 27 PHE QD 1 33 ILE MD . . 3.990 2.630 2.465 2.820 . 0 0 "[ . 1 . 2]" 1
537 1 27 PHE QD 1 47 ILE MD . . 3.730 2.980 2.561 3.652 . 0 0 "[ . 1 . 2]" 1
538 1 27 PHE QE 1 33 ILE MD . . 4.240 2.946 2.685 3.289 . 0 0 "[ . 1 . 2]" 1
539 1 27 PHE QE 1 54 PHE HB2 . . 4.030 2.027 1.994 2.153 . 0 0 "[ . 1 . 2]" 1
540 1 27 PHE QE 1 54 PHE HB3 . . 4.040 2.318 2.010 2.839 . 0 0 "[ . 1 . 2]" 1
541 1 27 PHE QE 1 58 TYR HB2 . . 4.760 4.020 3.170 4.678 . 0 0 "[ . 1 . 2]" 1
542 1 27 PHE QE 1 58 TYR HB3 . . 4.180 3.163 2.646 3.510 . 0 0 "[ . 1 . 2]" 1
543 1 27 PHE HZ 1 33 ILE MD . . 4.680 3.511 3.094 4.110 . 0 0 "[ . 1 . 2]" 1
544 1 27 PHE HZ 1 54 PHE HB2 . . 4.100 2.637 2.074 3.214 . 0 0 "[ . 1 . 2]" 1
545 1 27 PHE HZ 1 54 PHE HB3 . . 4.570 4.088 3.576 4.592 0.022 5 0 "[ . 1 . 2]" 1
546 1 27 PHE HZ 1 54 PHE QD . . 4.030 3.479 3.081 4.035 0.005 11 0 "[ . 1 . 2]" 1
547 1 27 PHE HZ 1 55 PRO HD2 . . 4.990 2.452 1.997 3.189 . 0 0 "[ . 1 . 2]" 1
548 1 27 PHE HZ 1 58 TYR HB2 . . 3.820 3.336 2.956 3.773 . 0 0 "[ . 1 . 2]" 1
549 1 27 PHE HZ 1 58 TYR HB3 . . 3.790 3.496 3.068 3.814 0.024 5 0 "[ . 1 . 2]" 1
550 1 27 PHE HZ 1 59 VAL MG1 . . 3.990 3.083 2.585 3.606 . 0 0 "[ . 1 . 2]" 1
551 1 28 THR H 1 28 THR MG . . 3.640 2.987 2.847 3.182 . 0 0 "[ . 1 . 2]" 1
552 1 28 THR H 1 29 GLU H . . 5.500 4.474 4.345 4.513 . 0 0 "[ . 1 . 2]" 1
553 1 28 THR H 1 31 GLU H . . 5.270 4.028 3.829 4.161 . 0 0 "[ . 1 . 2]" 1
554 1 28 THR H 1 31 GLU HB3 . . 4.350 3.768 3.566 4.005 . 0 0 "[ . 1 . 2]" 1
555 1 28 THR H 1 31 GLU HG2 . . 5.100 3.281 1.950 4.060 . 0 0 "[ . 1 . 2]" 1
556 1 28 THR H 1 31 GLU HG3 . . 3.860 2.380 1.946 3.738 . 0 0 "[ . 1 . 2]" 1
557 1 28 THR H 1 47 ILE MD . . 5.210 4.332 4.032 4.678 . 0 0 "[ . 1 . 2]" 1
558 1 28 THR HA 1 28 THR MG . . 3.410 2.343 2.293 2.375 . 0 0 "[ . 1 . 2]" 1
559 1 28 THR HB 1 29 GLU H . . 3.250 2.368 1.985 2.785 . 0 0 "[ . 1 . 2]" 1
560 1 28 THR HB 1 29 GLU HB2 . . 5.360 5.161 5.003 5.334 . 0 0 "[ . 1 . 2]" 1
561 1 28 THR HB 1 29 GLU HB3 . . 5.110 4.135 3.975 4.281 . 0 0 "[ . 1 . 2]" 1
562 1 28 THR HB 1 31 GLU HG3 . . 5.000 4.565 3.439 5.522 0.522 4 2 "[ +. 1 - 2]" 1
563 1 28 THR MG 1 29 GLU H . . 4.030 3.574 3.491 3.662 . 0 0 "[ . 1 . 2]" 1
564 1 28 THR MG 1 29 GLU HB3 . . 5.220 5.199 5.150 5.258 0.038 16 0 "[ . 1 . 2]" 1
565 1 28 THR MG 1 31 GLU HG2 . . 4.920 4.693 3.678 4.937 0.017 16 0 "[ . 1 . 2]" 1
566 1 28 THR MG 1 31 GLU HG3 . . 4.280 4.215 3.999 4.935 0.655 4 3 "[ * +. 1 - 2]" 1
567 1 29 GLU H 1 29 GLU HB2 . . 3.570 2.833 2.687 3.029 . 0 0 "[ . 1 . 2]" 1
568 1 29 GLU H 1 29 GLU HB3 . . 3.480 2.207 2.169 2.279 . 0 0 "[ . 1 . 2]" 1
569 1 29 GLU H 1 29 GLU HG2 . . 4.280 4.327 4.310 4.346 0.066 11 0 "[ . 1 . 2]" 1
570 1 29 GLU H 1 29 GLU HG3 . . 4.830 4.647 4.621 4.684 . 0 0 "[ . 1 . 2]" 1
571 1 29 GLU HA 1 29 GLU HG2 . . 3.690 2.706 2.683 2.750 . 0 0 "[ . 1 . 2]" 1
572 1 29 GLU HA 1 29 GLU HG3 . . 4.070 3.545 3.491 3.623 . 0 0 "[ . 1 . 2]" 1
573 1 29 GLU HA 1 30 GLY H . . 2.750 2.226 2.213 2.255 . 0 0 "[ . 1 . 2]" 1
574 1 29 GLU HA 1 31 GLU H . . 3.990 3.499 3.337 3.650 . 0 0 "[ . 1 . 2]" 1
575 1 29 GLU HB2 1 30 GLY H . . 4.570 4.083 3.958 4.147 . 0 0 "[ . 1 . 2]" 1
576 1 29 GLU HB3 1 30 GLY H . . 4.920 4.419 4.357 4.468 . 0 0 "[ . 1 . 2]" 1
577 1 29 GLU HG2 1 30 GLY H . . 4.440 2.513 2.336 2.641 . 0 0 "[ . 1 . 2]" 1
578 1 29 GLU HG3 1 30 GLY H . . 4.320 4.101 3.957 4.233 . 0 0 "[ . 1 . 2]" 1
579 1 29 GLU HG3 1 30 GLY HA2 . . 5.320 5.109 5.051 5.177 . 0 0 "[ . 1 . 2]" 1
580 1 30 GLY H 1 31 GLU H . . 3.750 2.714 2.546 2.876 . 0 0 "[ . 1 . 2]" 1
581 1 31 GLU H 1 31 GLU HB3 . . 3.570 3.483 3.428 3.542 . 0 0 "[ . 1 . 2]" 1
582 1 31 GLU H 1 31 GLU HG2 . . 4.200 2.967 2.599 3.552 . 0 0 "[ . 1 . 2]" 1
583 1 31 GLU H 1 31 GLU HG3 . . 3.560 3.474 2.318 3.917 0.357 4 0 "[ . 1 . 2]" 1
584 1 31 GLU H 1 32 GLU H . . 5.190 4.666 4.648 4.673 . 0 0 "[ . 1 . 2]" 1
585 1 31 GLU HA 1 31 GLU HG2 . . 3.170 2.543 2.207 3.672 0.502 2 1 "[ + . 1 . 2]" 1
586 1 31 GLU HA 1 31 GLU HG3 . . 3.900 3.386 2.643 3.640 . 0 0 "[ . 1 . 2]" 1
587 1 31 GLU HA 1 32 GLU H . . 2.790 2.401 2.298 2.484 . 0 0 "[ . 1 . 2]" 1
588 1 31 GLU HA 1 32 GLU HG3 . . 4.990 4.843 4.726 4.989 . 0 0 "[ . 1 . 2]" 1
589 1 31 GLU HB3 1 32 GLU H . . 3.120 2.779 2.496 3.044 . 0 0 "[ . 1 . 2]" 1
590 1 31 GLU HB3 1 33 ILE MD . . 4.560 3.620 3.150 3.959 . 0 0 "[ . 1 . 2]" 1
591 1 31 GLU HB3 1 33 ILE HG13 . . 4.880 3.227 3.031 3.631 . 0 0 "[ . 1 . 2]" 1
592 1 31 GLU HB3 1 47 ILE MD . . 3.500 3.065 2.755 3.452 . 0 0 "[ . 1 . 2]" 1
593 1 31 GLU HB3 1 47 ILE MG . . 4.530 3.990 3.514 4.417 . 0 0 "[ . 1 . 2]" 1
594 1 31 GLU HG2 1 32 GLU H . . 4.650 4.337 3.723 5.146 0.496 4 0 "[ . 1 . 2]" 1
595 1 31 GLU HG2 1 47 ILE MD . . 4.960 4.878 4.535 4.972 0.012 14 0 "[ . 1 . 2]" 1
596 1 31 GLU HG3 1 32 GLU H . . 5.180 4.715 3.766 4.981 . 0 0 "[ . 1 . 2]" 1
597 1 31 GLU HG3 1 47 ILE MD . . 5.230 4.125 3.740 5.239 0.009 16 0 "[ . 1 . 2]" 1
598 1 32 GLU H 1 32 GLU HB3 . . 3.300 3.306 3.245 3.354 0.054 6 0 "[ . 1 . 2]" 1
599 1 32 GLU H 1 32 GLU HG2 . . 4.640 4.511 4.380 4.578 . 0 0 "[ . 1 . 2]" 1
600 1 32 GLU H 1 32 GLU HG3 . . 4.130 3.787 3.612 3.970 . 0 0 "[ . 1 . 2]" 1
601 1 32 GLU H 1 33 ILE H . . 5.250 4.244 4.159 4.479 . 0 0 "[ . 1 . 2]" 1
602 1 32 GLU H 1 47 ILE MD . . 5.210 4.603 4.163 5.014 . 0 0 "[ . 1 . 2]" 1
603 1 32 GLU H 1 47 ILE MG . . 5.110 4.324 3.498 4.798 . 0 0 "[ . 1 . 2]" 1
604 1 32 GLU HB3 1 33 ILE H . . 4.130 3.969 3.693 4.061 . 0 0 "[ . 1 . 2]" 1
605 1 32 GLU HG2 1 33 ILE H . . 4.780 3.903 3.525 4.149 . 0 0 "[ . 1 . 2]" 1
606 1 32 GLU HG2 1 62 LYS HD2 . . 5.260 2.446 2.147 2.746 . 0 0 "[ . 1 . 2]" 1
607 1 32 GLU HG2 1 62 LYS HD3 . . 4.200 2.896 2.463 4.208 0.008 15 0 "[ . 1 . 2]" 1
608 1 32 GLU HG3 1 33 ILE H . . 4.580 4.526 4.411 4.584 0.004 19 0 "[ . 1 . 2]" 1
609 1 32 GLU HG3 1 62 LYS HD2 . . 4.660 3.037 2.694 3.627 . 0 0 "[ . 1 . 2]" 1
610 1 32 GLU HG3 1 62 LYS HD3 . . 4.790 4.060 3.615 4.801 0.011 15 0 "[ . 1 . 2]" 1
611 1 33 ILE H 1 33 ILE HB . . 3.430 2.384 2.298 2.430 . 0 0 "[ . 1 . 2]" 1
612 1 33 ILE H 1 33 ILE MD . . 4.430 2.977 2.465 3.385 . 0 0 "[ . 1 . 2]" 1
613 1 33 ILE H 1 33 ILE HG12 . . 4.570 4.129 4.016 4.353 . 0 0 "[ . 1 . 2]" 1
614 1 33 ILE H 1 33 ILE HG13 . . 3.830 2.847 2.658 3.125 . 0 0 "[ . 1 . 2]" 1
615 1 33 ILE H 1 33 ILE MG . . 4.640 3.721 3.661 3.748 . 0 0 "[ . 1 . 2]" 1
616 1 33 ILE HA 1 33 ILE MD . . 4.630 3.782 3.622 3.844 . 0 0 "[ . 1 . 2]" 1
617 1 33 ILE HA 1 33 ILE HG12 . . 3.680 2.980 2.831 3.238 . 0 0 "[ . 1 . 2]" 1
618 1 33 ILE HA 1 33 ILE HG13 . . 3.630 2.467 2.332 2.586 . 0 0 "[ . 1 . 2]" 1
619 1 33 ILE HA 1 33 ILE MG . . 3.320 2.495 2.405 2.542 . 0 0 "[ . 1 . 2]" 1
620 1 33 ILE HA 1 34 LEU H . . 2.910 2.199 2.180 2.233 . 0 0 "[ . 1 . 2]" 1
621 1 33 ILE HA 1 34 LEU QB . . 4.860 3.994 3.964 4.017 . 0 0 "[ . 1 . 2]" 1
622 1 33 ILE HA 1 46 SER H . . 5.240 3.663 3.373 4.108 . 0 0 "[ . 1 . 2]" 1
623 1 33 ILE HA 1 47 ILE MD . . 4.450 3.507 3.251 3.760 . 0 0 "[ . 1 . 2]" 1
624 1 33 ILE HA 1 47 ILE HG12 . . 3.510 2.506 2.113 2.878 . 0 0 "[ . 1 . 2]" 1
625 1 33 ILE HA 1 47 ILE HG13 . . 3.850 2.873 2.574 3.250 . 0 0 "[ . 1 . 2]" 1
626 1 33 ILE HA 1 47 ILE MG . . 4.670 4.365 3.977 4.673 0.003 7 0 "[ . 1 . 2]" 1
627 1 33 ILE HB 1 33 ILE MD . . 3.360 2.050 1.956 2.153 . 0 0 "[ . 1 . 2]" 1
628 1 33 ILE HB 1 34 LEU H . . 4.890 4.312 4.190 4.391 . 0 0 "[ . 1 . 2]" 1
629 1 33 ILE MD 1 33 ILE MG . . 3.280 2.625 2.409 2.935 . 0 0 "[ . 1 . 2]" 1
630 1 33 ILE MD 1 35 VAL MG2 . . 4.800 4.490 4.304 4.688 . 0 0 "[ . 1 . 2]" 1
631 1 33 ILE MD 1 47 ILE MD . . 3.910 3.170 2.936 3.379 . 0 0 "[ . 1 . 2]" 1
632 1 33 ILE MD 1 54 PHE QD . . 4.540 4.273 3.942 4.500 . 0 0 "[ . 1 . 2]" 1
633 1 33 ILE MD 1 54 PHE QE . . 4.770 4.572 4.184 4.782 0.012 18 0 "[ . 1 . 2]" 1
634 1 33 ILE MD 1 59 VAL HB . . 5.170 3.766 3.553 3.948 . 0 0 "[ . 1 . 2]" 1
635 1 33 ILE MD 1 59 VAL MG1 . . 2.910 2.370 2.046 2.706 . 0 0 "[ . 1 . 2]" 1
636 1 33 ILE MD 1 59 VAL MG2 . . 5.100 4.353 4.004 4.581 . 0 0 "[ . 1 . 2]" 1
637 1 33 ILE HG12 1 33 ILE MG . . 3.440 2.105 1.977 2.271 . 0 0 "[ . 1 . 2]" 1
638 1 33 ILE HG12 1 34 LEU H . . 5.330 4.660 4.374 4.813 . 0 0 "[ . 1 . 2]" 1
639 1 33 ILE HG12 1 47 ILE MD . . 3.420 2.077 1.972 2.298 . 0 0 "[ . 1 . 2]" 1
640 1 33 ILE HG12 1 47 ILE HG12 . . 4.050 3.359 3.029 3.770 . 0 0 "[ . 1 . 2]" 1
641 1 33 ILE HG12 1 47 ILE HG13 . . 4.100 3.068 2.684 3.475 . 0 0 "[ . 1 . 2]" 1
642 1 33 ILE HG13 1 47 ILE HG12 . . 4.180 2.949 2.322 3.200 . 0 0 "[ . 1 . 2]" 1
643 1 33 ILE HG13 1 47 ILE HG13 . . 4.320 3.566 3.031 3.868 . 0 0 "[ . 1 . 2]" 1
644 1 33 ILE MG 1 34 LEU H . . 3.510 2.590 2.356 2.860 . 0 0 "[ . 1 . 2]" 1
645 1 33 ILE MG 1 34 LEU QB . . 4.890 4.098 3.925 4.238 . 0 0 "[ . 1 . 2]" 1
646 1 33 ILE MG 1 35 VAL H . . 4.960 3.707 3.456 3.958 . 0 0 "[ . 1 . 2]" 1
647 1 33 ILE MG 1 35 VAL HA . . 4.360 3.627 3.539 3.737 . 0 0 "[ . 1 . 2]" 1
648 1 33 ILE MG 1 35 VAL MG2 . . 3.260 2.492 2.167 2.799 . 0 0 "[ . 1 . 2]" 1
649 1 33 ILE MG 1 45 GLY H . . 5.250 3.824 3.675 4.028 . 0 0 "[ . 1 . 2]" 1
650 1 33 ILE MG 1 45 GLY HA2 . . 4.110 2.708 2.584 2.884 . 0 0 "[ . 1 . 2]" 1
651 1 33 ILE MG 1 45 GLY HA3 . . 3.430 2.020 1.898 2.221 . 0 0 "[ . 1 . 2]" 1
652 1 33 ILE MG 1 46 SER H . . 3.620 2.217 2.082 2.422 . 0 0 "[ . 1 . 2]" 1
653 1 33 ILE MG 1 46 SER HA . . 5.270 4.050 3.783 4.295 . 0 0 "[ . 1 . 2]" 1
654 1 33 ILE MG 1 46 SER QB . . 5.210 4.314 4.181 4.499 . 0 0 "[ . 1 . 2]" 1
655 1 33 ILE MG 1 47 ILE MD . . 3.430 3.270 2.672 3.423 . 0 0 "[ . 1 . 2]" 1
656 1 33 ILE MG 1 47 ILE HG12 . . 4.560 3.799 3.213 4.174 . 0 0 "[ . 1 . 2]" 1
657 1 33 ILE MG 1 47 ILE HG13 . . 4.120 3.022 2.618 3.231 . 0 0 "[ . 1 . 2]" 1
658 1 33 ILE MG 1 54 PHE QE . . 3.670 2.963 2.668 3.318 . 0 0 "[ . 1 . 2]" 1
659 1 33 ILE MG 1 54 PHE HZ . . 3.940 3.655 3.313 3.927 . 0 0 "[ . 1 . 2]" 1
660 1 34 LEU H 1 34 LEU QB . . 3.490 2.288 2.199 2.327 . 0 0 "[ . 1 . 2]" 1
661 1 34 LEU H 1 34 LEU QD . . 4.700 3.764 3.733 3.823 . 0 0 "[ . 1 . 2]" 1
662 1 34 LEU H 1 34 LEU HG . . 4.430 4.373 4.137 4.469 0.039 18 0 "[ . 1 . 2]" 1
663 1 34 LEU H 1 35 VAL H . . 5.450 4.244 4.185 4.299 . 0 0 "[ . 1 . 2]" 1
664 1 34 LEU H 1 45 GLY HA2 . . 5.500 4.398 4.115 4.555 . 0 0 "[ . 1 . 2]" 1
665 1 34 LEU H 1 46 SER H . . 3.680 2.365 2.003 2.599 . 0 0 "[ . 1 . 2]" 1
666 1 34 LEU H 1 46 SER HA . . 5.500 4.503 4.155 4.651 . 0 0 "[ . 1 . 2]" 1
667 1 34 LEU H 1 46 SER QB . . 4.830 3.495 3.168 3.750 . 0 0 "[ . 1 . 2]" 1
668 1 34 LEU H 1 47 ILE HA . . 4.970 3.716 3.565 3.891 . 0 0 "[ . 1 . 2]" 1
669 1 34 LEU H 1 47 ILE HG12 . . 4.970 3.874 3.251 4.340 . 0 0 "[ . 1 . 2]" 1
670 1 34 LEU HA 1 35 VAL H . . 3.150 2.201 2.189 2.210 . 0 0 "[ . 1 . 2]" 1
671 1 34 LEU QB 1 35 VAL H . . 5.160 4.013 3.973 4.030 . 0 0 "[ . 1 . 2]" 1
672 1 34 LEU QB 1 36 THR MG . . 4.600 3.722 3.516 3.971 . 0 0 "[ . 1 . 2]" 1
673 1 34 LEU QB 1 46 SER H . . 4.160 3.370 3.270 3.522 . 0 0 "[ . 1 . 2]" 1
674 1 34 LEU QB 1 46 SER QB . . 3.730 2.506 2.199 2.637 . 0 0 "[ . 1 . 2]" 1
675 1 34 LEU QD 1 35 VAL H . . 4.110 2.951 2.459 3.293 . 0 0 "[ . 1 . 2]" 1
676 1 34 LEU QD 1 36 THR MG . . 3.770 2.902 2.485 3.138 . 0 0 "[ . 1 . 2]" 1
677 1 34 LEU QD 1 46 SER H . . 5.210 4.619 4.429 4.768 . 0 0 "[ . 1 . 2]" 1
678 1 34 LEU QD 1 46 SER QB . . 4.020 3.340 2.957 3.512 . 0 0 "[ . 1 . 2]" 1
679 1 34 LEU HG 1 35 VAL H . . 4.910 3.902 3.687 4.109 . 0 0 "[ . 1 . 2]" 1
680 1 34 LEU HG 1 46 SER H . . 5.280 4.837 4.402 5.213 . 0 0 "[ . 1 . 2]" 1
681 1 34 LEU HG 1 46 SER QB . . 5.200 3.803 3.199 4.479 . 0 0 "[ . 1 . 2]" 1
682 1 35 VAL H 1 35 VAL HB . . 3.260 2.440 2.221 2.573 . 0 0 "[ . 1 . 2]" 1
683 1 35 VAL H 1 35 VAL MG1 . . 4.510 3.726 3.647 3.753 . 0 0 "[ . 1 . 2]" 1
684 1 35 VAL H 1 35 VAL MG2 . . 3.460 2.113 1.916 2.627 . 0 0 "[ . 1 . 2]" 1
685 1 35 VAL H 1 36 THR H . . 5.300 4.587 4.491 4.619 . 0 0 "[ . 1 . 2]" 1
686 1 35 VAL HA 1 35 VAL MG1 . . 3.570 2.338 2.237 2.500 . 0 0 "[ . 1 . 2]" 1
687 1 35 VAL HA 1 35 VAL MG2 . . 3.400 2.425 2.142 2.542 . 0 0 "[ . 1 . 2]" 1
688 1 35 VAL HA 1 36 THR H . . 3.000 2.242 2.187 2.278 . 0 0 "[ . 1 . 2]" 1
689 1 35 VAL HA 1 37 GLN H . . 4.310 3.921 3.494 4.036 . 0 0 "[ . 1 . 2]" 1
690 1 35 VAL HA 1 45 GLY H . . 5.500 4.627 4.472 4.726 . 0 0 "[ . 1 . 2]" 1
691 1 35 VAL HA 1 45 GLY HA2 . . 3.540 2.036 1.985 2.111 . 0 0 "[ . 1 . 2]" 1
692 1 35 VAL HA 1 45 GLY HA3 . . 3.630 3.643 3.625 3.667 0.037 8 0 "[ . 1 . 2]" 1
693 1 35 VAL HA 1 46 SER H . . 4.690 3.692 3.378 3.929 . 0 0 "[ . 1 . 2]" 1
694 1 35 VAL HA 1 46 SER QB . . 5.340 4.683 4.234 5.170 . 0 0 "[ . 1 . 2]" 1
695 1 35 VAL HA 1 54 PHE QE . . 5.350 3.366 3.042 3.581 . 0 0 "[ . 1 . 2]" 1
696 1 35 VAL MG1 1 36 THR H . . 3.770 2.492 2.259 2.878 . 0 0 "[ . 1 . 2]" 1
697 1 35 VAL MG1 1 37 GLN H . . 3.540 3.086 2.674 3.238 . 0 0 "[ . 1 . 2]" 1
698 1 35 VAL MG1 1 38 LYS HA . . 4.710 3.646 3.390 3.876 . 0 0 "[ . 1 . 2]" 1
699 1 35 VAL MG1 1 38 LYS HB2 . . 4.600 4.554 4.331 4.620 0.020 19 0 "[ . 1 . 2]" 1
700 1 35 VAL MG1 1 38 LYS HD3 . . 3.760 3.362 2.878 3.734 . 0 0 "[ . 1 . 2]" 1
701 1 35 VAL MG1 1 38 LYS HE2 . . 4.150 3.096 2.010 3.708 . 0 0 "[ . 1 . 2]" 1
702 1 35 VAL MG1 1 38 LYS HE3 . . 3.950 2.087 1.772 2.530 . 0 0 "[ . 1 . 2]" 1
703 1 35 VAL MG1 1 38 LYS HG2 . . 3.900 2.160 1.930 2.322 . 0 0 "[ . 1 . 2]" 1
704 1 35 VAL MG1 1 38 LYS HG3 . . 3.650 2.779 2.465 2.912 . 0 0 "[ . 1 . 2]" 1
705 1 35 VAL MG1 1 43 TRP HB2 . . 3.640 2.636 2.292 3.388 . 0 0 "[ . 1 . 2]" 1
706 1 35 VAL MG1 1 43 TRP HB3 . . 4.240 2.319 2.003 2.684 . 0 0 "[ . 1 . 2]" 1
707 1 35 VAL MG1 1 43 TRP HE3 . . 3.520 2.523 2.016 3.165 . 0 0 "[ . 1 . 2]" 1
708 1 35 VAL MG1 1 43 TRP HZ3 . . 4.790 4.331 3.943 4.797 0.007 14 0 "[ . 1 . 2]" 1
709 1 35 VAL MG1 1 44 THR H . . 4.280 3.164 2.644 3.614 . 0 0 "[ . 1 . 2]" 1
710 1 35 VAL MG1 1 44 THR HB . . 4.880 4.285 3.898 4.553 . 0 0 "[ . 1 . 2]" 1
711 1 35 VAL MG1 1 45 GLY HA2 . . 5.030 3.365 3.109 3.869 . 0 0 "[ . 1 . 2]" 1
712 1 35 VAL MG1 1 45 GLY HA3 . . 5.050 4.360 4.073 4.953 . 0 0 "[ . 1 . 2]" 1
713 1 35 VAL MG1 1 54 PHE HZ . . 4.250 2.746 2.288 3.584 . 0 0 "[ . 1 . 2]" 1
714 1 35 VAL MG2 1 43 TRP HB2 . . 4.790 3.434 3.122 3.583 . 0 0 "[ . 1 . 2]" 1
715 1 35 VAL MG2 1 43 TRP HB3 . . 4.870 3.985 3.438 4.259 . 0 0 "[ . 1 . 2]" 1
716 1 35 VAL MG2 1 43 TRP HE3 . . 3.540 2.773 2.566 3.001 . 0 0 "[ . 1 . 2]" 1
717 1 35 VAL MG2 1 43 TRP HZ3 . . 4.280 4.063 3.805 4.291 0.011 8 0 "[ . 1 . 2]" 1
718 1 35 VAL MG2 1 45 GLY HA2 . . 4.960 2.720 2.460 2.912 . 0 0 "[ . 1 . 2]" 1
719 1 35 VAL MG2 1 45 GLY HA3 . . 4.380 3.128 2.979 3.305 . 0 0 "[ . 1 . 2]" 1
720 1 35 VAL MG2 1 46 SER H . . 4.490 4.090 3.987 4.193 . 0 0 "[ . 1 . 2]" 1
721 1 35 VAL MG2 1 54 PHE QD . . 4.170 4.046 3.894 4.184 0.014 4 0 "[ . 1 . 2]" 1
722 1 35 VAL MG2 1 54 PHE QE . . 3.850 2.107 1.967 2.432 . 0 0 "[ . 1 . 2]" 1
723 1 35 VAL MG2 1 54 PHE HZ . . 3.190 1.797 1.765 1.913 . 0 0 "[ . 1 . 2]" 1
724 1 36 THR H 1 36 THR MG . . 3.690 2.589 2.338 2.738 . 0 0 "[ . 1 . 2]" 1
725 1 36 THR H 1 37 GLN H . . 3.150 1.895 1.882 1.926 . 0 0 "[ . 1 . 2]" 1
726 1 36 THR H 1 44 THR H . . 5.100 4.291 3.917 4.609 . 0 0 "[ . 1 . 2]" 1
727 1 36 THR H 1 44 THR HB . . 4.670 4.087 3.789 4.299 . 0 0 "[ . 1 . 2]" 1
728 1 36 THR H 1 45 GLY HA2 . . 3.730 3.575 3.429 3.711 . 0 0 "[ . 1 . 2]" 1
729 1 36 THR HA 1 36 THR HB . . 3.000 2.467 2.446 2.516 . 0 0 "[ . 1 . 2]" 1
730 1 36 THR HA 1 36 THR MG . . 3.210 2.536 2.451 2.574 . 0 0 "[ . 1 . 2]" 1
731 1 36 THR HB 1 37 GLN H . . 4.900 3.878 3.760 4.243 . 0 0 "[ . 1 . 2]" 1
732 1 36 THR HB 1 37 GLN QG . . 5.140 4.612 3.389 4.964 . 0 0 "[ . 1 . 2]" 1
733 1 36 THR MG 1 37 GLN H . . 4.380 3.725 3.647 3.866 . 0 0 "[ . 1 . 2]" 1
734 1 36 THR MG 1 45 GLY HA2 . . 4.120 4.091 3.927 4.130 0.010 2 0 "[ . 1 . 2]" 1
735 1 36 THR MG 1 46 SER H . . 4.740 4.298 3.959 4.547 . 0 0 "[ . 1 . 2]" 1
736 1 36 THR MG 1 46 SER QB . . 4.640 3.139 2.625 3.712 . 0 0 "[ . 1 . 2]" 1
737 1 37 GLN H 1 37 GLN HB3 . . 3.710 3.336 3.126 3.762 0.052 18 0 "[ . 1 . 2]" 1
738 1 37 GLN H 1 37 GLN QG . . 4.920 3.772 3.169 4.007 . 0 0 "[ . 1 . 2]" 1
739 1 37 GLN H 1 38 LYS H . . 5.250 4.373 4.244 4.420 . 0 0 "[ . 1 . 2]" 1
740 1 37 GLN H 1 44 THR H . . 3.910 3.432 3.263 3.594 . 0 0 "[ . 1 . 2]" 1
741 1 37 GLN H 1 44 THR HB . . 3.510 2.840 2.543 3.158 . 0 0 "[ . 1 . 2]" 1
742 1 37 GLN H 1 44 THR MG . . 4.990 3.601 3.184 3.943 . 0 0 "[ . 1 . 2]" 1
743 1 37 GLN H 1 45 GLY HA2 . . 5.190 4.854 4.701 5.054 . 0 0 "[ . 1 . 2]" 1
744 1 37 GLN HA 1 37 GLN QG . . 3.920 2.190 1.982 2.568 . 0 0 "[ . 1 . 2]" 1
745 1 37 GLN HA 1 38 LYS H . . 3.020 2.224 2.204 2.266 . 0 0 "[ . 1 . 2]" 1
746 1 37 GLN HA 1 38 LYS HG3 . . 4.950 3.733 3.490 4.006 . 0 0 "[ . 1 . 2]" 1
747 1 37 GLN HA 1 39 ASP H . . 5.500 5.524 5.478 5.573 0.073 18 0 "[ . 1 . 2]" 1
748 1 37 GLN HA 1 44 THR H . . 5.500 4.705 4.636 4.802 . 0 0 "[ . 1 . 2]" 1
749 1 37 GLN HB3 1 38 LYS H . . 4.230 3.628 3.128 3.817 . 0 0 "[ . 1 . 2]" 1
750 1 37 GLN HB3 1 39 ASP H . . 5.280 4.469 4.376 4.608 . 0 0 "[ . 1 . 2]" 1
751 1 37 GLN HB3 1 44 THR H . . 4.020 3.623 3.262 4.270 0.250 18 0 "[ . 1 . 2]" 1
752 1 37 GLN HB3 1 44 THR HB . . 3.030 2.660 2.230 3.469 0.439 18 0 "[ . 1 . 2]" 1
753 1 37 GLN HB3 1 44 THR MG . . 4.060 3.887 3.525 4.498 0.438 18 0 "[ . 1 . 2]" 1
754 1 37 GLN QG 1 38 LYS H . . 4.290 3.453 2.868 3.952 . 0 0 "[ . 1 . 2]" 1
755 1 37 GLN QG 1 44 THR HB . . 4.960 4.378 4.206 4.463 . 0 0 "[ . 1 . 2]" 1
756 1 38 LYS H 1 38 LYS HB2 . . 3.580 2.622 2.495 2.701 . 0 0 "[ . 1 . 2]" 1
757 1 38 LYS H 1 38 LYS HG2 . . 4.640 3.613 3.459 3.800 . 0 0 "[ . 1 . 2]" 1
758 1 38 LYS H 1 38 LYS HG3 . . 4.060 2.777 2.540 2.992 . 0 0 "[ . 1 . 2]" 1
759 1 38 LYS H 1 39 ASP H . . 4.270 4.112 4.079 4.195 . 0 0 "[ . 1 . 2]" 1
760 1 38 LYS HA 1 38 LYS HG2 . . 3.510 2.437 2.288 2.676 . 0 0 "[ . 1 . 2]" 1
761 1 38 LYS HA 1 38 LYS HG3 . . 3.900 3.250 3.040 3.350 . 0 0 "[ . 1 . 2]" 1
762 1 38 LYS HA 1 39 ASP H . . 3.300 2.207 2.204 2.210 . 0 0 "[ . 1 . 2]" 1
763 1 38 LYS HA 1 43 TRP HA . . 3.710 2.202 2.090 2.337 . 0 0 "[ . 1 . 2]" 1
764 1 38 LYS HA 1 43 TRP HB2 . . 4.680 3.707 3.567 3.921 . 0 0 "[ . 1 . 2]" 1
765 1 38 LYS HA 1 43 TRP HD1 . . 3.630 2.659 2.523 2.789 . 0 0 "[ . 1 . 2]" 1
766 1 38 LYS HA 1 43 TRP HE1 . . 4.730 4.706 4.627 4.739 0.009 10 0 "[ . 1 . 2]" 1
767 1 38 LYS HA 1 44 THR H . . 4.710 2.976 2.862 3.088 . 0 0 "[ . 1 . 2]" 1
768 1 38 LYS HB2 1 43 TRP HD1 . . 5.220 4.281 4.125 4.466 . 0 0 "[ . 1 . 2]" 1
769 1 38 LYS HB2 1 43 TRP HE1 . . 4.740 4.745 4.710 4.758 0.018 13 0 "[ . 1 . 2]" 1
770 1 38 LYS HB3 1 38 LYS HE2 . . 4.940 4.593 4.029 4.793 . 0 0 "[ . 1 . 2]" 1
771 1 38 LYS HB3 1 38 LYS HE3 . . 4.860 4.461 4.228 4.584 . 0 0 "[ . 1 . 2]" 1
772 1 38 LYS HB3 1 39 ASP H . . 4.300 3.892 3.883 3.905 . 0 0 "[ . 1 . 2]" 1
773 1 38 LYS HB3 1 40 GLY H . . 5.280 5.028 4.924 5.245 . 0 0 "[ . 1 . 2]" 1
774 1 38 LYS HB3 1 43 TRP HD1 . . 4.410 2.801 2.608 2.993 . 0 0 "[ . 1 . 2]" 1
775 1 38 LYS HB3 1 43 TRP HE1 . . 4.750 3.218 3.120 3.339 . 0 0 "[ . 1 . 2]" 1
776 1 38 LYS HD3 1 43 TRP HH2 . . 4.780 4.328 3.903 4.784 0.004 3 0 "[ . 1 . 2]" 1
777 1 38 LYS HD3 1 43 TRP HZ2 . . 4.910 4.119 3.900 4.610 . 0 0 "[ . 1 . 2]" 1
778 1 38 LYS HE2 1 38 LYS HG2 . . 3.940 3.440 2.512 3.897 . 0 0 "[ . 1 . 2]" 1
779 1 38 LYS HE2 1 43 TRP HH2 . . 4.710 4.705 4.610 4.726 0.016 1 0 "[ . 1 . 2]" 1
780 1 38 LYS HE2 1 43 TRP HZ3 . . 5.210 3.724 3.197 4.102 . 0 0 "[ . 1 . 2]" 1
781 1 38 LYS HE3 1 38 LYS HG2 . . 4.100 2.573 2.282 2.851 . 0 0 "[ . 1 . 2]" 1
782 1 38 LYS HE3 1 38 LYS HG3 . . 3.750 2.552 2.282 2.903 . 0 0 "[ . 1 . 2]" 1
783 1 38 LYS HG2 1 39 ASP H . . 5.500 4.626 4.469 4.852 . 0 0 "[ . 1 . 2]" 1
784 1 38 LYS HG2 1 43 TRP HD1 . . 5.120 4.114 3.736 4.304 . 0 0 "[ . 1 . 2]" 1
785 1 38 LYS HG2 1 43 TRP HE1 . . 5.320 5.241 4.942 5.332 0.012 19 0 "[ . 1 . 2]" 1
786 1 39 ASP H 1 39 ASP HB2 . . 4.050 2.392 2.205 2.741 . 0 0 "[ . 1 . 2]" 1
787 1 39 ASP H 1 39 ASP HB3 . . 3.730 3.054 2.603 3.572 . 0 0 "[ . 1 . 2]" 1
788 1 39 ASP H 1 43 TRP HA . . 4.320 2.051 1.938 2.268 . 0 0 "[ . 1 . 2]" 1
789 1 39 ASP H 1 43 TRP HD1 . . 3.670 2.612 2.421 2.698 . 0 0 "[ . 1 . 2]" 1
790 1 39 ASP H 1 43 TRP HE1 . . 5.230 5.025 4.876 5.134 . 0 0 "[ . 1 . 2]" 1
791 1 39 ASP H 1 44 THR H . . 5.500 3.565 3.260 3.746 . 0 0 "[ . 1 . 2]" 1
792 1 39 ASP HA 1 40 GLY H . . 3.420 2.275 2.263 2.279 . 0 0 "[ . 1 . 2]" 1
793 1 39 ASP HB2 1 40 GLY H . . 5.180 4.652 4.524 4.699 . 0 0 "[ . 1 . 2]" 1
794 1 39 ASP HB3 1 40 GLY H . . 5.500 4.105 3.821 4.378 . 0 0 "[ . 1 . 2]" 1
795 1 40 GLY H 1 41 GLU H . . 5.040 4.568 4.441 4.639 . 0 0 "[ . 1 . 2]" 1
796 1 40 GLY H 1 43 TRP HD1 . . 5.300 4.349 4.115 4.453 . 0 0 "[ . 1 . 2]" 1
797 1 40 GLY H 1 43 TRP HE1 . . 4.880 4.703 4.400 4.884 0.004 13 0 "[ . 1 . 2]" 1
798 1 40 GLY HA2 1 42 TRP H . . 5.140 4.966 4.722 5.134 . 0 0 "[ . 1 . 2]" 1
799 1 40 GLY HA3 1 41 GLU H . . 3.150 2.218 2.199 2.270 . 0 0 "[ . 1 . 2]" 1
800 1 40 GLY HA3 1 41 GLU HB3 . . 5.290 5.358 4.437 5.744 0.454 9 0 "[ . 1 . 2]" 1
801 1 40 GLY HA3 1 42 TRP H . . 4.470 3.706 3.468 3.855 . 0 0 "[ . 1 . 2]" 1
802 1 41 GLU H 1 41 GLU HB2 . . 4.050 2.397 2.111 2.941 . 0 0 "[ . 1 . 2]" 1
803 1 41 GLU H 1 41 GLU HB3 . . 3.430 3.203 2.298 3.649 0.219 20 0 "[ . 1 . 2]" 1
804 1 41 GLU H 1 41 GLU HG2 . . 4.440 3.501 2.538 4.554 0.114 16 0 "[ . 1 . 2]" 1
805 1 41 GLU H 1 41 GLU HG3 . . 4.550 3.792 2.969 4.521 . 0 0 "[ . 1 . 2]" 1
806 1 41 GLU H 1 42 TRP H . . 3.380 2.315 2.152 2.514 . 0 0 "[ . 1 . 2]" 1
807 1 41 GLU H 1 42 TRP HD1 . . 4.910 3.822 3.493 4.143 . 0 0 "[ . 1 . 2]" 1
808 1 41 GLU HA 1 41 GLU HG2 . . 4.200 2.725 2.141 3.527 . 0 0 "[ . 1 . 2]" 1
809 1 41 GLU HA 1 41 GLU HG3 . . 3.760 3.145 2.250 3.753 . 0 0 "[ . 1 . 2]" 1
810 1 41 GLU HA 1 43 TRP HD1 . . 5.140 4.316 4.168 4.557 . 0 0 "[ . 1 . 2]" 1
811 1 41 GLU HA 1 43 TRP HE1 . . 4.860 2.981 2.769 3.142 . 0 0 "[ . 1 . 2]" 1
812 1 41 GLU HA 1 56 SER HB2 . . 5.260 5.043 4.539 5.254 . 0 0 "[ . 1 . 2]" 1
813 1 41 GLU HA 1 56 SER HB3 . . 4.530 4.306 3.881 4.537 0.007 12 0 "[ . 1 . 2]" 1
814 1 41 GLU HB2 1 42 TRP H . . 4.730 3.256 2.667 4.107 . 0 0 "[ . 1 . 2]" 1
815 1 41 GLU HB2 1 42 TRP HD1 . . 4.280 3.175 2.416 4.283 0.003 4 0 "[ . 1 . 2]" 1
816 1 41 GLU HB3 1 42 TRP H . . 3.920 3.374 2.688 4.152 0.232 5 0 "[ . 1 . 2]" 1
817 1 41 GLU HB3 1 42 TRP HD1 . . 3.880 3.029 1.995 4.266 0.386 8 0 "[ . 1 . 2]" 1
818 1 41 GLU HB3 1 42 TRP HE1 . . 5.230 4.459 3.926 5.345 0.115 20 0 "[ . 1 . 2]" 1
819 1 41 GLU HG3 1 42 TRP HD1 . . 4.720 4.763 4.219 5.715 0.995 11 1 "[ . 1+ . 2]" 1
820 1 42 TRP H 1 42 TRP HB2 . . 3.480 2.315 2.271 2.381 . 0 0 "[ . 1 . 2]" 1
821 1 42 TRP H 1 42 TRP HB3 . . 4.030 3.554 3.529 3.600 . 0 0 "[ . 1 . 2]" 1
822 1 42 TRP H 1 42 TRP HD1 . . 3.930 2.637 2.301 2.877 . 0 0 "[ . 1 . 2]" 1
823 1 42 TRP H 1 43 TRP HD1 . . 4.300 4.180 3.912 4.310 0.010 2 0 "[ . 1 . 2]" 1
824 1 42 TRP H 1 43 TRP HE1 . . 5.500 5.024 4.729 5.248 . 0 0 "[ . 1 . 2]" 1
825 1 42 TRP HA 1 43 TRP H . . 3.190 2.219 2.205 2.237 . 0 0 "[ . 1 . 2]" 1
826 1 42 TRP HA 1 54 PHE H . . 5.120 4.182 3.828 4.578 . 0 0 "[ . 1 . 2]" 1
827 1 42 TRP HB2 1 42 TRP HD1 . . 3.690 2.951 2.794 3.197 . 0 0 "[ . 1 . 2]" 1
828 1 42 TRP HB2 1 43 TRP H . . 4.920 4.448 4.250 4.558 . 0 0 "[ . 1 . 2]" 1
829 1 42 TRP HB2 1 53 ILE HB . . 4.600 4.249 3.914 4.601 0.001 10 0 "[ . 1 . 2]" 1
830 1 42 TRP HB2 1 53 ILE MD . . 4.370 3.966 3.611 4.353 . 0 0 "[ . 1 . 2]" 1
831 1 42 TRP HB2 1 53 ILE MG . . 5.060 4.577 4.022 4.971 . 0 0 "[ . 1 . 2]" 1
832 1 42 TRP HB3 1 42 TRP HE3 . . 3.790 2.372 2.330 2.431 . 0 0 "[ . 1 . 2]" 1
833 1 42 TRP HB3 1 43 TRP H . . 4.480 3.575 3.257 3.796 . 0 0 "[ . 1 . 2]" 1
834 1 42 TRP HB3 1 53 ILE HB . . 3.850 2.901 2.487 3.299 . 0 0 "[ . 1 . 2]" 1
835 1 42 TRP HB3 1 53 ILE MD . . 3.860 3.263 2.582 3.734 . 0 0 "[ . 1 . 2]" 1
836 1 42 TRP HB3 1 53 ILE MG . . 4.280 3.888 3.460 4.242 . 0 0 "[ . 1 . 2]" 1
837 1 42 TRP HB3 1 54 PHE H . . 5.020 3.320 2.969 3.823 . 0 0 "[ . 1 . 2]" 1
838 1 42 TRP HE3 1 43 TRP H . . 5.120 4.710 4.365 5.113 . 0 0 "[ . 1 . 2]" 1
839 1 42 TRP HE3 1 53 ILE HB . . 3.880 2.673 2.355 2.879 . 0 0 "[ . 1 . 2]" 1
840 1 42 TRP HE3 1 53 ILE MD . . 3.910 2.577 1.975 3.375 . 0 0 "[ . 1 . 2]" 1
841 1 42 TRP HE3 1 53 ILE HG12 . . 5.290 4.704 4.372 5.245 . 0 0 "[ . 1 . 2]" 1
842 1 42 TRP HE3 1 53 ILE HG13 . . 4.190 3.448 2.940 4.180 . 0 0 "[ . 1 . 2]" 1
843 1 42 TRP HE3 1 53 ILE MG . . 4.430 4.259 3.978 4.434 0.004 15 0 "[ . 1 . 2]" 1
844 1 42 TRP HE3 1 54 PHE H . . 3.690 2.691 2.394 2.931 . 0 0 "[ . 1 . 2]" 1
845 1 42 TRP HE3 1 54 PHE HA . . 4.570 3.037 2.703 3.291 . 0 0 "[ . 1 . 2]" 1
846 1 42 TRP HE3 1 55 PRO HA . . 5.270 3.946 3.560 4.300 . 0 0 "[ . 1 . 2]" 1
847 1 42 TRP HH2 1 55 PRO HD3 . . 5.050 3.541 3.137 3.763 . 0 0 "[ . 1 . 2]" 1
848 1 42 TRP HH2 1 55 PRO HG2 . . 5.230 5.120 4.816 5.233 0.003 19 0 "[ . 1 . 2]" 1
849 1 42 TRP HH2 1 55 PRO HG3 . . 4.330 3.443 3.133 3.609 . 0 0 "[ . 1 . 2]" 1
850 1 42 TRP HZ2 1 55 PRO HG3 . . 5.150 4.484 3.780 5.153 0.003 16 0 "[ . 1 . 2]" 1
851 1 42 TRP HZ3 1 53 ILE MD . . 5.070 3.280 2.509 4.091 . 0 0 "[ . 1 . 2]" 1
852 1 42 TRP HZ3 1 53 ILE HG13 . . 4.840 3.561 2.911 4.577 . 0 0 "[ . 1 . 2]" 1
853 1 42 TRP HZ3 1 54 PHE HA . . 3.900 2.518 2.113 2.991 . 0 0 "[ . 1 . 2]" 1
854 1 42 TRP HZ3 1 55 PRO HD2 . . 5.170 4.361 3.861 4.959 . 0 0 "[ . 1 . 2]" 1
855 1 42 TRP HZ3 1 55 PRO HD3 . . 3.720 2.725 2.199 3.293 . 0 0 "[ . 1 . 2]" 1
856 1 42 TRP HZ3 1 55 PRO HG3 . . 4.700 4.139 3.619 4.700 . 0 0 "[ . 1 . 2]" 1
857 1 43 TRP H 1 43 TRP HB3 . . 3.530 3.686 3.627 3.760 0.230 7 0 "[ . 1 . 2]" 1
858 1 43 TRP H 1 43 TRP HD1 . . 4.320 3.508 3.379 3.695 . 0 0 "[ . 1 . 2]" 1
859 1 43 TRP H 1 53 ILE HA . . 5.500 5.232 5.042 5.493 . 0 0 "[ . 1 . 2]" 1
860 1 43 TRP H 1 53 ILE HB . . 5.280 5.160 4.899 5.292 0.012 7 0 "[ . 1 . 2]" 1
861 1 43 TRP H 1 54 PHE H . . 3.890 3.625 3.426 3.863 . 0 0 "[ . 1 . 2]" 1
862 1 43 TRP H 1 55 PRO HA . . 4.580 4.428 4.258 4.586 0.006 16 0 "[ . 1 . 2]" 1
863 1 43 TRP H 1 56 SER H . . 4.570 3.552 3.339 3.770 . 0 0 "[ . 1 . 2]" 1
864 1 43 TRP H 1 56 SER HA . . 5.370 4.156 4.060 4.350 . 0 0 "[ . 1 . 2]" 1
865 1 43 TRP H 1 56 SER HB3 . . 5.400 2.874 2.560 3.181 . 0 0 "[ . 1 . 2]" 1
866 1 43 TRP HA 1 43 TRP HD1 . . 3.230 2.442 2.369 2.486 . 0 0 "[ . 1 . 2]" 1
867 1 43 TRP HA 1 43 TRP HE1 . . 5.290 5.021 4.952 5.064 . 0 0 "[ . 1 . 2]" 1
868 1 43 TRP HA 1 44 THR H . . 3.270 2.457 2.339 2.499 . 0 0 "[ . 1 . 2]" 1
869 1 43 TRP HB2 1 43 TRP HE3 . . 3.770 2.485 2.445 2.537 . 0 0 "[ . 1 . 2]" 1
870 1 43 TRP HB2 1 44 THR H . . 3.500 3.552 3.437 3.788 0.288 7 0 "[ . 1 . 2]" 1
871 1 43 TRP HB2 1 54 PHE QE . . 4.760 3.123 2.831 3.374 . 0 0 "[ . 1 . 2]" 1
872 1 43 TRP HB2 1 54 PHE HZ . . 4.370 2.644 2.291 2.953 . 0 0 "[ . 1 . 2]" 1
873 1 43 TRP HB3 1 43 TRP HE3 . . 3.820 3.337 3.262 3.401 . 0 0 "[ . 1 . 2]" 1
874 1 43 TRP HB3 1 44 THR H . . 4.260 2.613 2.514 2.897 . 0 0 "[ . 1 . 2]" 1
875 1 43 TRP HB3 1 54 PHE QE . . 4.460 4.061 3.527 4.380 . 0 0 "[ . 1 . 2]" 1
876 1 43 TRP HB3 1 54 PHE HZ . . 4.260 3.916 3.269 4.370 0.110 10 0 "[ . 1 . 2]" 1
877 1 43 TRP HD1 1 44 THR H . . 5.290 4.696 4.599 4.775 . 0 0 "[ . 1 . 2]" 1
878 1 43 TRP HD1 1 56 SER HB2 . . 5.240 5.155 4.924 5.252 0.012 17 0 "[ . 1 . 2]" 1
879 1 43 TRP HD1 1 56 SER HB3 . . 4.440 4.112 3.917 4.297 . 0 0 "[ . 1 . 2]" 1
880 1 43 TRP HE1 1 56 SER HB2 . . 4.540 4.455 4.203 4.553 0.013 10 0 "[ . 1 . 2]" 1
881 1 43 TRP HE1 1 56 SER HB3 . . 4.370 4.103 3.844 4.251 . 0 0 "[ . 1 . 2]" 1
882 1 43 TRP HE3 1 56 SER HA . . 5.270 3.889 3.452 4.318 . 0 0 "[ . 1 . 2]" 1
883 1 43 TRP HE3 1 59 VAL MG1 . . 5.210 5.087 4.902 5.217 0.007 16 0 "[ . 1 . 2]" 1
884 1 43 TRP HE3 1 59 VAL MG2 . . 3.940 3.224 2.931 3.442 . 0 0 "[ . 1 . 2]" 1
885 1 43 TRP HH2 1 59 VAL MG2 . . 4.600 4.606 4.542 4.620 0.020 2 0 "[ . 1 . 2]" 1
886 1 43 TRP HZ2 1 56 SER HB2 . . 4.450 3.552 3.086 3.865 . 0 0 "[ . 1 . 2]" 1
887 1 43 TRP HZ2 1 56 SER HB3 . . 5.130 4.373 4.012 4.675 . 0 0 "[ . 1 . 2]" 1
888 1 43 TRP HZ3 1 59 VAL MG2 . . 3.520 3.094 2.869 3.305 . 0 0 "[ . 1 . 2]" 1
889 1 44 THR H 1 44 THR HB . . 3.410 2.295 2.235 2.387 . 0 0 "[ . 1 . 2]" 1
890 1 44 THR H 1 44 THR MG . . 4.610 3.698 3.663 3.748 . 0 0 "[ . 1 . 2]" 1
891 1 44 THR H 1 45 GLY H . . 5.500 4.396 4.347 4.457 . 0 0 "[ . 1 . 2]" 1
892 1 44 THR H 1 53 ILE HA . . 5.260 4.919 4.695 5.186 . 0 0 "[ . 1 . 2]" 1
893 1 44 THR HA 1 44 THR MG . . 3.350 2.511 2.354 2.583 . 0 0 "[ . 1 . 2]" 1
894 1 44 THR HA 1 45 GLY H . . 3.100 2.150 2.150 2.152 . 0 0 "[ . 1 . 2]" 1
895 1 44 THR HA 1 52 GLY H . . 5.170 4.273 3.970 4.521 . 0 0 "[ . 1 . 2]" 1
896 1 44 THR HA 1 53 ILE HA . . 3.100 2.376 2.166 2.597 . 0 0 "[ . 1 . 2]" 1
897 1 44 THR HA 1 53 ILE HB . . 4.940 4.366 4.040 4.731 . 0 0 "[ . 1 . 2]" 1
898 1 44 THR HA 1 53 ILE MG . . 3.680 3.266 3.032 3.548 . 0 0 "[ . 1 . 2]" 1
899 1 44 THR HA 1 54 PHE H . . 4.560 3.772 3.545 3.912 . 0 0 "[ . 1 . 2]" 1
900 1 44 THR HA 1 54 PHE QD . . 4.880 3.344 2.934 3.548 . 0 0 "[ . 1 . 2]" 1
901 1 44 THR HA 1 54 PHE QE . . 4.590 3.666 3.396 3.766 . 0 0 "[ . 1 . 2]" 1
902 1 44 THR HB 1 45 GLY H . . 5.120 4.533 4.463 4.563 . 0 0 "[ . 1 . 2]" 1
903 1 44 THR HB 1 53 ILE MG . . 5.060 4.592 4.293 4.963 . 0 0 "[ . 1 . 2]" 1
904 1 44 THR MG 1 45 GLY H . . 3.500 3.024 2.904 3.135 . 0 0 "[ . 1 . 2]" 1
905 1 44 THR MG 1 45 GLY HA2 . . 4.530 3.982 3.838 4.218 . 0 0 "[ . 1 . 2]" 1
906 1 44 THR MG 1 51 SER HB2 . . 4.310 4.057 3.462 5.198 0.888 5 4 "[* + - * . 2]" 1
907 1 44 THR MG 1 52 GLY H . . 4.210 2.655 2.206 3.018 . 0 0 "[ . 1 . 2]" 1
908 1 44 THR MG 1 52 GLY HA2 . . 4.680 3.889 3.433 4.235 . 0 0 "[ . 1 . 2]" 1
909 1 44 THR MG 1 53 ILE HA . . 4.500 3.732 3.531 3.954 . 0 0 "[ . 1 . 2]" 1
910 1 44 THR MG 1 53 ILE MG . . 3.440 3.252 3.014 3.441 0.001 16 0 "[ . 1 . 2]" 1
911 1 45 GLY H 1 46 SER H . . 5.080 4.547 4.518 4.584 . 0 0 "[ . 1 . 2]" 1
912 1 45 GLY H 1 46 SER HA . . 5.150 5.028 4.982 5.081 . 0 0 "[ . 1 . 2]" 1
913 1 45 GLY H 1 52 GLY H . . 3.790 3.714 3.502 3.803 0.013 5 0 "[ . 1 . 2]" 1
914 1 45 GLY H 1 53 ILE HA . . 4.310 3.236 2.987 3.529 . 0 0 "[ . 1 . 2]" 1
915 1 45 GLY H 1 53 ILE MG . . 5.180 4.622 4.469 4.908 . 0 0 "[ . 1 . 2]" 1
916 1 45 GLY H 1 54 PHE H . . 5.500 4.229 3.997 4.432 . 0 0 "[ . 1 . 2]" 1
917 1 45 GLY H 1 54 PHE QD . . 4.580 2.008 1.938 2.162 . 0 0 "[ . 1 . 2]" 1
918 1 45 GLY H 1 54 PHE QE . . 4.180 2.656 2.565 2.824 . 0 0 "[ . 1 . 2]" 1
919 1 45 GLY HA2 1 46 SER H . . 3.320 2.488 2.402 2.541 . 0 0 "[ . 1 . 2]" 1
920 1 45 GLY HA2 1 46 SER QB . . 5.090 4.117 3.826 4.633 . 0 0 "[ . 1 . 2]" 1
921 1 45 GLY HA2 1 52 GLY H . . 5.500 5.436 5.233 5.514 0.014 4 0 "[ . 1 . 2]" 1
922 1 45 GLY HA2 1 54 PHE QE . . 4.390 2.482 2.300 2.748 . 0 0 "[ . 1 . 2]" 1
923 1 45 GLY HA3 1 46 SER H . . 3.350 2.761 2.702 2.866 . 0 0 "[ . 1 . 2]" 1
924 1 45 GLY HA3 1 54 PHE QD . . 4.740 2.669 2.339 3.047 . 0 0 "[ . 1 . 2]" 1
925 1 45 GLY HA3 1 54 PHE QE . . 3.740 2.278 2.031 2.715 . 0 0 "[ . 1 . 2]" 1
926 1 46 SER H 1 46 SER QB . . 3.550 2.772 2.626 2.937 . 0 0 "[ . 1 . 2]" 1
927 1 46 SER HA 1 47 ILE H . . 2.910 2.364 2.307 2.433 . 0 0 "[ . 1 . 2]" 1
928 1 46 SER HA 1 47 ILE HA . . 5.090 4.463 4.447 4.481 . 0 0 "[ . 1 . 2]" 1
929 1 46 SER HA 1 47 ILE HB . . 5.150 4.386 4.246 4.516 . 0 0 "[ . 1 . 2]" 1
930 1 46 SER HA 1 47 ILE HG13 . . 4.980 3.629 3.437 4.000 . 0 0 "[ . 1 . 2]" 1
931 1 46 SER HA 1 50 ARG HB2 . . 5.180 4.025 3.604 4.602 . 0 0 "[ . 1 . 2]" 1
932 1 46 SER HA 1 50 ARG HB3 . . 5.200 4.676 3.740 5.067 . 0 0 "[ . 1 . 2]" 1
933 1 46 SER QB 1 47 ILE H . . 3.600 3.159 2.600 3.468 . 0 0 "[ . 1 . 2]" 1
934 1 46 SER QB 1 48 GLY H . . 5.200 4.696 4.516 4.852 . 0 0 "[ . 1 . 2]" 1
935 1 46 SER QB 1 50 ARG H . . 5.340 4.269 3.203 5.000 . 0 0 "[ . 1 . 2]" 1
936 1 47 ILE H 1 47 ILE HB . . 3.810 2.716 2.665 2.773 . 0 0 "[ . 1 . 2]" 1
937 1 47 ILE H 1 47 ILE MD . . 4.820 4.122 3.990 4.316 . 0 0 "[ . 1 . 2]" 1
938 1 47 ILE H 1 47 ILE HG12 . . 4.730 4.316 4.173 4.459 . 0 0 "[ . 1 . 2]" 1
939 1 47 ILE H 1 47 ILE HG13 . . 4.270 3.205 3.004 3.473 . 0 0 "[ . 1 . 2]" 1
940 1 47 ILE H 1 47 ILE MG . . 4.490 3.820 3.723 3.889 . 0 0 "[ . 1 . 2]" 1
941 1 47 ILE H 1 48 GLY H . . 4.540 4.024 4.015 4.028 . 0 0 "[ . 1 . 2]" 1
942 1 47 ILE H 1 50 ARG H . . 4.360 2.348 2.094 2.521 . 0 0 "[ . 1 . 2]" 1
943 1 47 ILE H 1 50 ARG HB2 . . 4.390 2.505 1.927 2.808 . 0 0 "[ . 1 . 2]" 1
944 1 47 ILE H 1 50 ARG HB3 . . 4.880 3.832 3.136 4.162 . 0 0 "[ . 1 . 2]" 1
945 1 47 ILE H 1 50 ARG QG . . 5.260 4.099 3.576 4.751 . 0 0 "[ . 1 . 2]" 1
946 1 47 ILE HA 1 47 ILE MD . . 4.570 3.830 3.773 3.872 . 0 0 "[ . 1 . 2]" 1
947 1 47 ILE HA 1 47 ILE HG12 . . 3.600 2.574 2.432 2.663 . 0 0 "[ . 1 . 2]" 1
948 1 47 ILE HA 1 47 ILE HG13 . . 3.810 2.806 2.644 2.955 . 0 0 "[ . 1 . 2]" 1
949 1 47 ILE HA 1 47 ILE MG . . 3.270 2.472 2.310 2.565 . 0 0 "[ . 1 . 2]" 1
950 1 47 ILE HA 1 48 GLY H . . 3.150 2.182 2.181 2.183 . 0 0 "[ . 1 . 2]" 1
951 1 47 ILE HA 1 48 GLY HA2 . . 5.190 4.362 4.361 4.364 . 0 0 "[ . 1 . 2]" 1
952 1 47 ILE HB 1 47 ILE MD . . 3.180 2.191 2.101 2.301 . 0 0 "[ . 1 . 2]" 1
953 1 47 ILE HB 1 48 GLY H . . 5.450 4.505 4.449 4.570 . 0 0 "[ . 1 . 2]" 1
954 1 47 ILE HB 1 50 ARG H . . 5.280 3.871 3.747 4.166 . 0 0 "[ . 1 . 2]" 1
955 1 47 ILE HB 1 50 ARG HB2 . . 3.910 2.573 2.310 2.766 . 0 0 "[ . 1 . 2]" 1
956 1 47 ILE HB 1 50 ARG HB3 . . 4.440 3.964 3.382 4.289 . 0 0 "[ . 1 . 2]" 1
957 1 47 ILE HB 1 50 ARG QD . . 4.750 3.063 2.162 3.543 . 0 0 "[ . 1 . 2]" 1
958 1 47 ILE MD 1 47 ILE MG . . 3.000 2.153 1.957 2.336 . 0 0 "[ . 1 . 2]" 1
959 1 47 ILE MD 1 50 ARG QH2 . . 4.530 4.920 4.066 5.781 1.251 17 10 "[* * - *** * +* *]" 1
960 1 47 ILE HG12 1 47 ILE MG . . 3.200 2.340 2.207 2.451 . 0 0 "[ . 1 . 2]" 1
961 1 47 ILE HG13 1 47 ILE MG . . 3.690 3.224 3.201 3.239 . 0 0 "[ . 1 . 2]" 1
962 1 47 ILE MG 1 48 GLY H . . 4.240 3.033 2.937 3.146 . 0 0 "[ . 1 . 2]" 1
963 1 47 ILE MG 1 48 GLY HA3 . . 5.030 3.395 3.274 3.622 . 0 0 "[ . 1 . 2]" 1
964 1 47 ILE MG 1 50 ARG QD . . 4.640 3.343 1.961 3.987 . 0 0 "[ . 1 . 2]" 1
965 1 47 ILE MG 1 50 ARG HE . . 4.740 3.476 2.361 4.563 . 0 0 "[ . 1 . 2]" 1
966 1 47 ILE MG 1 50 ARG QH1 . . 4.540 3.549 1.909 4.446 . 0 0 "[ . 1 . 2]" 1
967 1 48 GLY H 1 49 ASP H . . 5.090 3.849 2.671 4.026 . 0 0 "[ . 1 . 2]" 1
968 1 48 GLY H 1 50 ARG H . . 5.500 4.329 3.861 4.382 . 0 0 "[ . 1 . 2]" 1
969 1 48 GLY HA2 1 50 ARG H . . 5.200 4.872 4.516 4.998 . 0 0 "[ . 1 . 2]" 1
970 1 48 GLY HA3 1 49 ASP H . . 3.110 2.578 2.453 3.581 0.471 7 0 "[ . 1 . 2]" 1
971 1 48 GLY HA3 1 49 ASP HB2 . . 5.050 4.083 3.914 4.399 . 0 0 "[ . 1 . 2]" 1
972 1 48 GLY HA3 1 50 ARG H . . 4.500 4.106 3.944 4.266 . 0 0 "[ . 1 . 2]" 1
973 1 49 ASP H 1 49 ASP HB2 . . 3.540 2.940 2.659 3.358 . 0 0 "[ . 1 . 2]" 1
974 1 49 ASP H 1 50 ARG H . . 3.380 1.933 1.895 2.270 . 0 0 "[ . 1 . 2]" 1
975 1 49 ASP H 1 50 ARG QG . . 5.280 2.925 2.193 4.278 . 0 0 "[ . 1 . 2]" 1
976 1 49 ASP HB2 1 50 ARG H . . 4.670 4.274 4.052 4.594 . 0 0 "[ . 1 . 2]" 1
977 1 49 ASP HB2 1 50 ARG QG . . 5.140 4.486 3.827 5.725 0.585 5 1 "[ + 1 . 2]" 1
978 1 50 ARG H 1 50 ARG HB2 . . 3.510 2.478 2.213 2.722 . 0 0 "[ . 1 . 2]" 1
979 1 50 ARG H 1 50 ARG HB3 . . 3.960 3.606 3.358 3.720 . 0 0 "[ . 1 . 2]" 1
980 1 50 ARG H 1 50 ARG QD . . 4.670 4.138 2.855 4.469 . 0 0 "[ . 1 . 2]" 1
981 1 50 ARG H 1 50 ARG HE . . 5.500 4.433 3.802 5.438 . 0 0 "[ . 1 . 2]" 1
982 1 50 ARG H 1 50 ARG QG . . 3.660 2.736 2.258 3.478 . 0 0 "[ . 1 . 2]" 1
983 1 50 ARG HA 1 51 SER H . . 3.130 2.474 2.341 2.625 . 0 0 "[ . 1 . 2]" 1
984 1 50 ARG HB2 1 50 ARG QD . . 3.550 2.391 2.006 2.556 . 0 0 "[ . 1 . 2]" 1
985 1 50 ARG HB2 1 50 ARG HE . . 4.890 3.535 2.863 4.348 . 0 0 "[ . 1 . 2]" 1
986 1 50 ARG HB2 1 51 SER H . . 4.680 3.749 3.302 4.108 . 0 0 "[ . 1 . 2]" 1
987 1 50 ARG HB3 1 50 ARG QD . . 3.600 2.450 2.260 3.032 . 0 0 "[ . 1 . 2]" 1
988 1 50 ARG HB3 1 50 ARG HE . . 4.850 4.129 3.733 4.357 . 0 0 "[ . 1 . 2]" 1
989 1 50 ARG HB3 1 51 SER H . . 4.240 2.619 2.208 2.923 . 0 0 "[ . 1 . 2]" 1
990 1 50 ARG QD 1 50 ARG QH2 . . 3.780 3.660 3.659 3.660 . 0 0 "[ . 1 . 2]" 1
991 1 50 ARG QG 1 51 SER H . . 4.640 3.794 2.906 4.137 . 0 0 "[ . 1 . 2]" 1
992 1 51 SER H 1 51 SER HB2 . . 3.550 3.384 2.686 3.631 0.081 17 0 "[ . 1 . 2]" 1
993 1 51 SER HA 1 51 SER HB2 . . 2.900 2.758 2.300 2.920 0.020 5 0 "[ . 1 . 2]" 1
994 1 51 SER HA 1 52 GLY H . . 3.080 2.357 2.277 2.512 . 0 0 "[ . 1 . 2]" 1
995 1 51 SER HB2 1 52 GLY H . . 3.430 3.447 2.830 4.423 0.993 5 4 "[- + * * . 2]" 1
996 1 52 GLY H 1 53 ILE H . . 5.330 4.367 4.348 4.390 . 0 0 "[ . 1 . 2]" 1
997 1 52 GLY HA2 1 53 ILE H . . 3.580 2.625 2.525 2.725 . 0 0 "[ . 1 . 2]" 1
998 1 52 GLY HA2 1 53 ILE MG . . 4.660 3.496 3.335 3.621 . 0 0 "[ . 1 . 2]" 1
999 1 52 GLY HA3 1 53 ILE H . . 3.510 2.615 2.519 2.719 . 0 0 "[ . 1 . 2]" 1
1000 1 53 ILE H 1 53 ILE MD . . 4.730 3.822 3.705 3.954 . 0 0 "[ . 1 . 2]" 1
1001 1 53 ILE H 1 53 ILE HG12 . . 3.460 2.313 2.045 2.810 . 0 0 "[ . 1 . 2]" 1
1002 1 53 ILE H 1 53 ILE HG13 . . 3.930 2.565 1.996 2.821 . 0 0 "[ . 1 . 2]" 1
1003 1 53 ILE H 1 53 ILE MG . . 3.820 2.737 2.628 2.862 . 0 0 "[ . 1 . 2]" 1
1004 1 53 ILE H 1 54 PHE H . . 5.430 4.557 4.536 4.565 . 0 0 "[ . 1 . 2]" 1
1005 1 53 ILE HA 1 53 ILE MD . . 4.730 4.057 3.829 4.116 . 0 0 "[ . 1 . 2]" 1
1006 1 53 ILE HA 1 53 ILE MG . . 3.280 2.285 2.191 2.390 . 0 0 "[ . 1 . 2]" 1
1007 1 53 ILE HA 1 54 PHE H . . 3.060 2.404 2.370 2.446 . 0 0 "[ . 1 . 2]" 1
1008 1 53 ILE HA 1 54 PHE QD . . 4.000 3.404 3.014 3.573 . 0 0 "[ . 1 . 2]" 1
1009 1 53 ILE HA 1 54 PHE QE . . 4.940 4.941 4.729 4.979 0.039 15 0 "[ . 1 . 2]" 1
1010 1 53 ILE HB 1 53 ILE MD . . 3.350 2.138 1.953 2.272 . 0 0 "[ . 1 . 2]" 1
1011 1 53 ILE HB 1 54 PHE H . . 3.530 2.631 2.528 2.707 . 0 0 "[ . 1 . 2]" 1
1012 1 53 ILE MD 1 53 ILE MG . . 3.070 2.353 2.076 2.851 . 0 0 "[ . 1 . 2]" 1
1013 1 53 ILE MD 1 54 PHE H . . 5.050 4.007 3.336 4.434 . 0 0 "[ . 1 . 2]" 1
1014 1 53 ILE HG13 1 54 PHE H . . 4.960 3.916 3.698 4.240 . 0 0 "[ . 1 . 2]" 1
1015 1 53 ILE MG 1 54 PHE H . . 4.230 3.805 3.665 3.913 . 0 0 "[ . 1 . 2]" 1
1016 1 54 PHE H 1 54 PHE QD . . 4.070 3.131 2.610 3.331 . 0 0 "[ . 1 . 2]" 1
1017 1 54 PHE H 1 55 PRO HD3 . . 5.500 4.651 4.634 4.680 . 0 0 "[ . 1 . 2]" 1
1018 1 54 PHE HA 1 55 PRO HD2 . . 3.670 2.830 2.816 2.844 . 0 0 "[ . 1 . 2]" 1
1019 1 54 PHE HA 1 55 PRO HD3 . . 3.130 2.068 2.058 2.078 . 0 0 "[ . 1 . 2]" 1
1020 1 54 PHE HB2 1 55 PRO HD2 . . 3.430 1.987 1.969 2.001 . 0 0 "[ . 1 . 2]" 1
1021 1 54 PHE HB2 1 55 PRO HD3 . . 3.660 2.942 2.912 2.973 . 0 0 "[ . 1 . 2]" 1
1022 1 54 PHE HB3 1 55 PRO HD2 . . 4.210 3.618 3.601 3.639 . 0 0 "[ . 1 . 2]" 1
1023 1 54 PHE HB3 1 55 PRO HD3 . . 4.290 4.020 4.000 4.042 . 0 0 "[ . 1 . 2]" 1
1024 1 54 PHE QD 1 55 PRO HA . . 4.550 3.858 3.656 4.335 . 0 0 "[ . 1 . 2]" 1
1025 1 54 PHE QD 1 55 PRO HD2 . . 3.970 2.824 2.657 2.997 . 0 0 "[ . 1 . 2]" 1
1026 1 54 PHE QD 1 55 PRO HD3 . . 4.210 4.043 3.979 4.173 . 0 0 "[ . 1 . 2]" 1
1027 1 54 PHE QD 1 56 SER H . . 5.440 4.081 3.823 4.575 . 0 0 "[ . 1 . 2]" 1
1028 1 54 PHE QD 1 56 SER HA . . 4.510 3.231 3.063 3.592 . 0 0 "[ . 1 . 2]" 1
1029 1 54 PHE QD 1 58 TYR HB2 . . 4.250 3.811 3.368 4.277 0.027 8 0 "[ . 1 . 2]" 1
1030 1 54 PHE QD 1 59 VAL MG1 . . 3.880 2.553 2.215 2.879 . 0 0 "[ . 1 . 2]" 1
1031 1 54 PHE QD 1 59 VAL MG2 . . 4.490 3.255 2.716 3.612 . 0 0 "[ . 1 . 2]" 1
1032 1 54 PHE QE 1 56 SER HA . . 3.960 2.130 1.990 2.564 . 0 0 "[ . 1 . 2]" 1
1033 1 54 PHE QE 1 59 VAL H . . 5.330 4.528 4.359 4.814 . 0 0 "[ . 1 . 2]" 1
1034 1 54 PHE QE 1 59 VAL MG1 . . 3.330 2.496 1.866 3.238 . 0 0 "[ . 1 . 2]" 1
1035 1 54 PHE QE 1 59 VAL MG2 . . 3.160 1.813 1.764 1.885 . 0 0 "[ . 1 . 2]" 1
1036 1 54 PHE HZ 1 59 VAL MG2 . . 4.390 2.881 2.715 3.085 . 0 0 "[ . 1 . 2]" 1
1037 1 55 PRO HA 1 56 SER H . . 2.850 2.150 2.148 2.157 . 0 0 "[ . 1 . 2]" 1
1038 1 55 PRO HA 1 56 SER HA . . 4.870 4.251 4.228 4.274 . 0 0 "[ . 1 . 2]" 1
1039 1 55 PRO HA 1 56 SER HB3 . . 5.130 4.430 4.282 4.515 . 0 0 "[ . 1 . 2]" 1
1040 1 55 PRO HA 1 57 ASN H . . 4.630 3.607 3.269 4.237 . 0 0 "[ . 1 . 2]" 1
1041 1 55 PRO HB2 1 57 ASN H . . 4.140 2.876 2.550 3.629 . 0 0 "[ . 1 . 2]" 1
1042 1 55 PRO HB2 1 58 TYR H . . 4.660 3.066 2.548 3.353 . 0 0 "[ . 1 . 2]" 1
1043 1 55 PRO HB2 1 58 TYR HB2 . . 5.120 3.131 1.996 4.318 . 0 0 "[ . 1 . 2]" 1
1044 1 55 PRO HB2 1 58 TYR QD . . 3.790 2.370 1.987 3.539 . 0 0 "[ . 1 . 2]" 1
1045 1 55 PRO HB2 1 58 TYR QE . . 4.270 3.652 3.345 4.294 0.024 8 0 "[ . 1 . 2]" 1
1046 1 55 PRO HB3 1 56 SER H . . 4.540 4.095 3.982 4.184 . 0 0 "[ . 1 . 2]" 1
1047 1 55 PRO HB3 1 57 ASN H . . 4.790 4.153 3.768 4.820 0.030 13 0 "[ . 1 . 2]" 1
1048 1 55 PRO HB3 1 58 TYR H . . 5.500 4.743 4.214 5.067 . 0 0 "[ . 1 . 2]" 1
1049 1 55 PRO HB3 1 58 TYR QD . . 4.450 3.824 3.346 4.512 0.062 8 0 "[ . 1 . 2]" 1
1050 1 55 PRO HB3 1 58 TYR QE . . 4.900 4.257 3.883 4.857 . 0 0 "[ . 1 . 2]" 1
1051 1 55 PRO HD2 1 58 TYR HB2 . . 4.740 3.310 3.016 4.049 . 0 0 "[ . 1 . 2]" 1
1052 1 55 PRO HD2 1 58 TYR QD . . 4.800 4.472 3.789 4.814 0.014 13 0 "[ . 1 . 2]" 1
1053 1 55 PRO HG2 1 58 TYR QD . . 4.810 2.825 1.957 3.051 . 0 0 "[ . 1 . 2]" 1
1054 1 55 PRO HG2 1 58 TYR QE . . 4.250 4.016 3.575 4.198 . 0 0 "[ . 1 . 2]" 1
1055 1 55 PRO HG3 1 58 TYR QE . . 5.290 4.203 3.744 4.691 . 0 0 "[ . 1 . 2]" 1
1056 1 56 SER H 1 56 SER HB2 . . 4.010 3.549 3.528 3.566 . 0 0 "[ . 1 . 2]" 1
1057 1 56 SER H 1 56 SER HB3 . . 3.500 2.420 2.312 2.531 . 0 0 "[ . 1 . 2]" 1
1058 1 56 SER H 1 57 ASN H . . 3.820 2.930 2.533 3.667 . 0 0 "[ . 1 . 2]" 1
1059 1 56 SER HA 1 56 SER HB2 . . 2.850 2.414 2.351 2.461 . 0 0 "[ . 1 . 2]" 1
1060 1 56 SER HA 1 56 SER HB3 . . 2.900 2.528 2.476 2.609 . 0 0 "[ . 1 . 2]" 1
1061 1 56 SER HA 1 58 TYR H . . 4.850 3.654 3.275 4.364 . 0 0 "[ . 1 . 2]" 1
1062 1 56 SER HA 1 59 VAL H . . 5.270 4.055 3.496 4.744 . 0 0 "[ . 1 . 2]" 1
1063 1 56 SER HA 1 59 VAL MG2 . . 3.870 2.105 1.958 2.537 . 0 0 "[ . 1 . 2]" 1
1064 1 56 SER HB2 1 57 ASN H . . 5.070 4.392 3.977 4.516 . 0 0 "[ . 1 . 2]" 1
1065 1 56 SER HB2 1 59 VAL MG2 . . 4.910 3.468 3.184 3.917 . 0 0 "[ . 1 . 2]" 1
1066 1 56 SER HB3 1 57 ASN H . . 5.180 4.368 3.691 4.722 . 0 0 "[ . 1 . 2]" 1
1067 1 56 SER HB3 1 59 VAL MG2 . . 5.040 4.107 3.947 4.441 . 0 0 "[ . 1 . 2]" 1
1068 1 57 ASN H 1 57 ASN HB2 . . 4.070 2.928 2.419 3.559 . 0 0 "[ . 1 . 2]" 1
1069 1 57 ASN H 1 57 ASN HB3 . . 3.760 2.888 2.394 3.902 0.142 5 0 "[ . 1 . 2]" 1
1070 1 57 ASN H 1 57 ASN HD21 . . 5.440 4.430 3.021 5.071 . 0 0 "[ . 1 . 2]" 1
1071 1 57 ASN H 1 58 TYR HB2 . . 5.500 3.899 3.520 4.325 . 0 0 "[ . 1 . 2]" 1
1072 1 57 ASN H 1 58 TYR QD . . 4.700 3.243 2.820 4.591 . 0 0 "[ . 1 . 2]" 1
1073 1 57 ASN H 1 59 VAL MG2 . . 5.050 3.837 2.814 4.476 . 0 0 "[ . 1 . 2]" 1
1074 1 57 ASN HB2 1 58 TYR H . . 5.500 3.999 2.525 4.414 . 0 0 "[ . 1 . 2]" 1
1075 1 57 ASN HD21 1 58 TYR QE . . 5.500 2.994 2.015 4.174 . 0 0 "[ . 1 . 2]" 1
1076 1 57 ASN HD22 1 58 TYR QE . . 4.780 4.015 1.990 5.474 0.694 9 3 "[ - * +1 . 2]" 1
1077 1 58 TYR H 1 58 TYR HB2 . . 3.350 2.216 2.004 2.320 . 0 0 "[ . 1 . 2]" 1
1078 1 58 TYR H 1 58 TYR HB3 . . 3.960 3.476 3.329 3.549 . 0 0 "[ . 1 . 2]" 1
1079 1 58 TYR H 1 58 TYR QD . . 3.670 2.560 1.938 3.233 . 0 0 "[ . 1 . 2]" 1
1080 1 58 TYR H 1 58 TYR QE . . 5.020 4.882 4.389 5.073 0.053 6 0 "[ . 1 . 2]" 1
1081 1 58 TYR H 1 59 VAL H . . 3.270 2.561 2.050 3.226 . 0 0 "[ . 1 . 2]" 1
1082 1 58 TYR H 1 59 VAL MG2 . . 4.640 3.334 3.053 3.743 . 0 0 "[ . 1 . 2]" 1
1083 1 58 TYR HA 1 58 TYR QD . . 4.200 2.916 2.067 3.112 . 0 0 "[ . 1 . 2]" 1
1084 1 58 TYR HA 1 58 TYR QE . . 5.180 4.649 4.413 4.741 . 0 0 "[ . 1 . 2]" 1
1085 1 58 TYR HB2 1 59 VAL H . . 4.840 3.875 3.483 4.211 . 0 0 "[ . 1 . 2]" 1
1086 1 58 TYR HB2 1 59 VAL MG1 . . 4.300 3.068 2.930 3.183 . 0 0 "[ . 1 . 2]" 1
1087 1 58 TYR HB3 1 59 VAL H . . 5.190 4.318 4.114 4.496 . 0 0 "[ . 1 . 2]" 1
1088 1 58 TYR HB3 1 59 VAL MG1 . . 4.340 3.429 2.955 3.807 . 0 0 "[ . 1 . 2]" 1
1089 1 59 VAL H 1 59 VAL MG1 . . 3.880 2.965 2.835 3.118 . 0 0 "[ . 1 . 2]" 1
1090 1 59 VAL H 1 59 VAL MG2 . . 3.260 2.414 2.260 2.529 . 0 0 "[ . 1 . 2]" 1
1091 1 59 VAL H 1 60 LYS H . . 5.130 4.356 4.299 4.435 . 0 0 "[ . 1 . 2]" 1
1092 1 59 VAL HA 1 59 VAL MG1 . . 3.240 2.332 2.278 2.383 . 0 0 "[ . 1 . 2]" 1
1093 1 59 VAL HA 1 60 LYS H . . 2.970 2.273 2.259 2.332 . 0 0 "[ . 1 . 2]" 1
1094 1 59 VAL HB 1 60 LYS H . . 3.300 3.014 2.836 3.051 . 0 0 "[ . 1 . 2]" 1
1095 1 59 VAL MG1 1 60 LYS H . . 4.230 3.983 3.919 4.089 . 0 0 "[ . 1 . 2]" 1
1096 1 59 VAL MG2 1 60 LYS H . . 4.450 3.761 3.573 3.864 . 0 0 "[ . 1 . 2]" 1
1097 1 59 VAL MG2 1 60 LYS HA . . 4.970 3.804 3.680 3.904 . 0 0 "[ . 1 . 2]" 1
1098 1 60 LYS H 1 60 LYS HD2 . . 5.190 4.795 4.317 5.108 . 0 0 "[ . 1 . 2]" 1
1099 1 60 LYS H 1 60 LYS HG2 . . 3.540 2.384 2.301 2.528 . 0 0 "[ . 1 . 2]" 1
1100 1 60 LYS HA 1 60 LYS HD2 . . 4.620 4.696 4.454 5.324 0.704 3 2 "[ + . -1 . 2]" 1
1101 1 60 LYS HA 1 61 PRO HD2 . . 3.230 2.758 2.709 2.814 . 0 0 "[ . 1 . 2]" 1
1102 1 60 LYS HA 1 61 PRO HD3 . . 2.930 2.018 1.991 2.051 . 0 0 "[ . 1 . 2]" 1
1103 1 60 LYS HA 1 61 PRO HG2 . . 4.890 4.671 4.633 4.715 . 0 0 "[ . 1 . 2]" 1
1104 1 60 LYS HA 1 61 PRO HG3 . . 4.840 4.278 4.255 4.307 . 0 0 "[ . 1 . 2]" 1
1105 1 60 LYS HB2 1 60 LYS HD2 . . 3.350 2.588 2.167 3.367 0.017 9 0 "[ . 1 . 2]" 1
1106 1 60 LYS HB2 1 60 LYS HE2 . . 5.090 4.353 4.088 4.668 . 0 0 "[ . 1 . 2]" 1
1107 1 60 LYS HB2 1 61 PRO HD2 . . 3.220 2.065 1.985 2.126 . 0 0 "[ . 1 . 2]" 1
1108 1 60 LYS HB2 1 61 PRO HD3 . . 4.000 2.958 2.843 3.058 . 0 0 "[ . 1 . 2]" 1
1109 1 60 LYS HB3 1 60 LYS HD2 . . 3.410 2.963 2.201 3.760 0.350 12 0 "[ . 1 . 2]" 1
1110 1 60 LYS HB3 1 61 PRO HD2 . . 3.720 3.681 3.609 3.730 0.010 9 0 "[ . 1 . 2]" 1
1111 1 60 LYS HB3 1 61 PRO HD3 . . 4.160 4.021 3.947 4.083 . 0 0 "[ . 1 . 2]" 1
1112 1 60 LYS HD2 1 61 PRO HD2 . . 5.170 4.068 3.655 4.524 . 0 0 "[ . 1 . 2]" 1
1113 1 60 LYS HE2 1 60 LYS HG2 . . 3.680 2.974 2.071 3.879 0.199 10 0 "[ . 1 . 2]" 1
1114 1 60 LYS HG2 1 61 PRO HD2 . . 4.380 4.619 4.204 4.866 0.486 10 0 "[ . 1 . 2]" 1
1115 1 60 LYS HG2 1 61 PRO HD3 . . 5.140 5.238 4.877 5.435 0.295 4 0 "[ . 1 . 2]" 1
1116 1 61 PRO HA 1 62 LYS H . . 2.870 2.150 2.148 2.153 . 0 0 "[ . 1 . 2]" 1
1117 1 61 PRO HA 1 62 LYS HA . . 5.050 4.293 4.284 4.305 . 0 0 "[ . 1 . 2]" 1
1118 1 61 PRO HA 1 62 LYS QB . . 4.830 3.991 3.978 4.016 . 0 0 "[ . 1 . 2]" 1
1119 1 61 PRO HA 1 63 ASP H . . 5.270 5.245 5.207 5.299 0.029 20 0 "[ . 1 . 2]" 1
1120 1 61 PRO HB2 1 62 LYS H . . 4.500 3.863 3.822 3.917 . 0 0 "[ . 1 . 2]" 1
1121 1 61 PRO HB2 1 62 LYS HA . . 5.150 5.094 5.039 5.139 . 0 0 "[ . 1 . 2]" 1
1122 1 61 PRO HB2 1 63 ASP H . . 4.860 4.872 4.862 4.884 0.024 1 0 "[ . 1 . 2]" 1
1123 1 61 PRO HB3 1 62 LYS H . . 4.240 4.127 4.094 4.169 . 0 0 "[ . 1 . 2]" 1
1124 1 62 LYS H 1 62 LYS QB . . 3.430 2.045 2.000 2.120 . 0 0 "[ . 1 . 2]" 1
1125 1 62 LYS H 1 62 LYS HG2 . . 4.760 4.472 4.189 4.554 . 0 0 "[ . 1 . 2]" 1
1126 1 62 LYS HA 1 62 LYS HD2 . . 5.340 4.286 4.036 4.413 . 0 0 "[ . 1 . 2]" 1
1127 1 62 LYS HA 1 62 LYS HD3 . . 5.210 4.277 4.065 4.891 . 0 0 "[ . 1 . 2]" 1
1128 1 62 LYS HA 1 62 LYS HE2 . . 5.340 4.615 3.175 5.074 . 0 0 "[ . 1 . 2]" 1
1129 1 62 LYS HA 1 62 LYS HG2 . . 3.230 3.049 2.813 3.774 0.544 10 4 "[* . + * -]" 1
1130 1 62 LYS HA 1 63 ASP H . . 3.120 2.228 2.216 2.238 . 0 0 "[ . 1 . 2]" 1
1131 1 62 LYS HA 1 63 ASP HB2 . . 5.090 4.426 4.081 4.896 . 0 0 "[ . 1 . 2]" 1
1132 1 62 LYS QB 1 62 LYS HE2 . . 3.500 2.863 2.319 3.618 0.118 10 0 "[ . 1 . 2]" 1
1133 1 62 LYS QB 1 63 ASP H . . 4.310 4.009 3.981 4.027 . 0 0 "[ . 1 . 2]" 1
1134 1 62 LYS HD2 1 62 LYS HG2 . . 3.040 2.715 2.624 2.828 . 0 0 "[ . 1 . 2]" 1
1135 1 62 LYS HD3 1 62 LYS HG2 . . 2.830 2.862 2.287 3.041 0.211 12 0 "[ . 1 . 2]" 1
1136 1 62 LYS HE2 1 62 LYS HG2 . . 3.140 2.741 2.009 3.761 0.621 1 3 "[+ . 1 - *]" 1
1137 1 62 LYS HG2 1 63 ASP H . . 4.120 4.202 3.929 4.739 0.619 10 4 "[* . + * -]" 1
1138 1 63 ASP H 1 63 ASP HB2 . . 3.960 2.568 2.007 3.201 . 0 0 "[ . 1 . 2]" 1
1139 1 63 ASP H 1 63 ASP HB3 . . 3.830 3.156 2.444 3.899 0.069 3 0 "[ . 1 . 2]" 1
1140 1 63 ASP HB2 1 64 SER H . . 5.270 4.169 2.923 4.698 . 0 0 "[ . 1 . 2]" 1
1141 1 63 ASP HB3 1 64 SER H . . 5.220 3.443 2.363 4.300 . 0 0 "[ . 1 . 2]" 1
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