NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
640984 |
6nnb   |
30559 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6nnb
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 1027
_Distance_constraint_stats_list.Viol_count 2656
_Distance_constraint_stats_list.Viol_total 22507.578
_Distance_constraint_stats_list.Viol_max 4.465
_Distance_constraint_stats_list.Viol_rms 0.2595
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0548
_Distance_constraint_stats_list.Viol_average_violations_only 0.4237
_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 2 ASN 0.832 0.159 5 0 "[ . 1 . 2]"
1 3 ALA 1.507 0.159 5 0 "[ . 1 . 2]"
1 4 MET 3.625 0.438 2 0 "[ . 1 . 2]"
1 5 GLU 4.352 0.396 16 0 "[ . 1 . 2]"
1 6 LEU 6.772 0.396 16 0 "[ . 1 . 2]"
1 7 ASP 5.091 0.230 14 0 "[ . 1 . 2]"
1 8 LEU 105.654 2.930 14 20 [*************+******]
1 9 GLN 5.746 0.503 14 1 "[ . 1 +. 2]"
1 10 PRO 1.732 0.186 11 0 "[ . 1 . 2]"
1 11 GLY 80.693 2.616 14 19 "[********** *-+******]"
1 12 ASP 48.556 2.207 14 20 [*************+*****-]
1 13 VAL 107.178 4.464 8 20 [*******+*-**********]
1 14 VAL 96.416 3.728 7 20 [**-***+*************]
1 15 LYS 66.501 2.526 7 20 [******+********-****]
1 16 VAL 21.766 1.558 10 10 "[ **. **+ - ** * *]"
1 17 LEU 28.889 1.189 4 14 "[***+* **1 * *** *-*]"
1 18 GLU 9.679 1.086 9 3 "[ -. +* . 2]"
1 19 SER 2.400 0.516 9 1 "[ . +1 . 2]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.062 0.062 6 0 "[ . 1 . 2]"
1 22 LEU 7.240 1.086 9 2 "[ *. +1 . 2]"
1 23 GLY 0.070 0.019 9 0 "[ . 1 . 2]"
1 24 TRP 17.019 0.607 20 4 "[ **. 1 - . +]"
1 25 VAL 43.942 2.963 9 16 "[**- *** +**** *****2]"
1 26 ARG 11.978 1.723 17 3 "[* . 1* . + 2]"
1 27 ALA 13.812 0.831 17 7 "[*** . -1* .*+ 2]"
1 28 ARG 191.438 4.464 8 20 [*******+*-**********]
1 29 VAL 72.934 2.098 2 20 [*+**********-*******]
1 30 ILE 76.928 2.438 16 17 "[* **-** ******+****]"
1 31 ARG 8.206 0.649 17 1 "[ . 1 . + 2]"
1 32 VAL 45.451 2.098 7 17 "[****.-+******** ***]"
1 33 LYS 17.236 0.927 5 7 "[ + * * - ***]"
1 34 SER 10.933 2.366 3 10 "[ *+*. *1*- *.*** 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 6.826 0.868 15 8 "[**- . * +* **2]"
1 37 ARG 65.984 2.477 20 20 [**-****************+]
1 38 VAL 81.582 2.098 7 20 [******+-************]
1 39 VAL 97.081 2.074 2 20 [*+********-*********]
1 40 VAL 8.952 1.122 1 3 "[+ . 1 . -*2]"
1 41 GLN 26.187 1.713 18 13 "[* * ** * 1* *****+-2]"
1 42 SER 7.215 0.583 4 2 "[ +. -1 . 2]"
1 43 ASP 44.226 2.963 9 17 "[*** *** +**** ****-*]"
1 44 GLN 21.801 1.826 7 13 "[-** .*+ **** * * **]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ARG 24.801 1.847 16 8 "[ * * *-1* .+ **2]"
1 47 GLU 14.588 1.482 15 8 "[ * * * 1- +** *2]"
1 48 PHE 38.298 1.847 16 15 "[****-****1* **.+ **2]"
1 49 THR 146.582 2.477 20 19 "[****-************ *+]"
1 50 ALA 26.094 1.071 7 14 "[****.*+**1 ***.-** 2]"
1 51 ARG 16.687 0.980 9 13 "[ ***** +1 *- **** *]"
1 52 GLY 16.786 0.980 9 13 "[ ***** +1 *- **** *]"
1 53 ASN 0.976 0.157 20 0 "[ . 1 . 2]"
1 54 GLN 68.585 1.230 14 20 [***********-*+******]
1 55 VAL 30.132 1.230 14 20 [*******-*****+******]
1 56 ARG 5.584 0.235 3 0 "[ . 1 . 2]"
1 57 LEU 103.833 4.465 12 16 "[* *.** ***+*******-]"
1 58 ILE 167.420 3.728 7 20 [******+*************]
1 59 GLU 83.968 4.465 12 16 "[* *.*- ***+********]"
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 2 ASN HA 1 3 ALA HA 4.280 . 4.280 4.316 4.212 4.439 0.159 5 0 "[ . 1 . 2]" 1
2 1 3 ALA H 1 4 MET H 4.020 . 4.020 2.822 1.646 4.123 0.103 13 0 "[ . 1 . 2]" 1
3 1 3 ALA HA 1 4 MET H 3.390 . 3.390 2.847 2.046 3.497 0.107 1 0 "[ . 1 . 2]" 1
4 1 3 ALA MB 1 4 MET H 4.720 . 4.720 3.104 2.029 3.655 . 0 0 "[ . 1 . 2]" 1
5 1 4 MET H 1 4 MET HB2 3.670 . 3.670 3.180 2.526 4.108 0.438 2 0 "[ . 1 . 2]" 1
6 1 4 MET H 1 4 MET HB3 4.140 . 4.140 3.208 2.523 3.785 . 0 0 "[ . 1 . 2]" 1
7 1 4 MET H 1 4 MET HG2 4.830 . 4.830 3.738 2.041 5.228 0.398 11 0 "[ . 1 . 2]" 1
8 1 4 MET H 1 4 MET HG3 5.230 . 5.230 3.921 3.050 4.837 . 0 0 "[ . 1 . 2]" 1
9 1 4 MET HA 1 4 MET HG3 4.020 . 4.020 3.197 2.464 3.826 . 0 0 "[ . 1 . 2]" 1
10 1 4 MET HA 1 5 GLU H 3.230 . 3.230 2.947 2.069 3.375 0.145 2 0 "[ . 1 . 2]" 1
11 1 4 MET ME 1 4 MET HG3 3.430 . 3.430 2.730 2.457 3.419 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLU H 1 5 GLU HB2 3.610 . 3.610 3.119 2.302 3.832 0.222 2 0 "[ . 1 . 2]" 1
13 1 5 GLU H 1 5 GLU HB3 3.870 . 3.870 3.156 2.377 3.696 . 0 0 "[ . 1 . 2]" 1
14 1 5 GLU H 1 5 GLU QG 4.150 . 4.150 2.949 1.982 4.028 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLU H 1 6 LEU H 4.350 . 4.350 4.084 1.990 4.442 0.092 3 0 "[ . 1 . 2]" 1
16 1 5 GLU HA 1 5 GLU QG 3.650 . 3.650 3.071 2.439 3.574 . 0 0 "[ . 1 . 2]" 1
17 1 5 GLU HA 1 6 LEU H 2.770 . 2.770 2.443 1.940 3.160 0.390 15 0 "[ . 1 . 2]" 1
18 1 5 GLU HB2 1 6 LEU H 4.420 . 4.420 3.166 1.773 4.031 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLU HB3 1 5 GLU QG 2.600 . 2.600 2.314 2.170 2.449 . 0 0 "[ . 1 . 2]" 1
20 1 5 GLU HB3 1 6 LEU H 3.910 . 3.910 3.404 1.692 4.306 0.396 16 0 "[ . 1 . 2]" 1
21 1 5 GLU QG 1 6 LEU H 5.500 . 5.500 3.666 2.161 4.882 . 0 0 "[ . 1 . 2]" 1
22 1 6 LEU H 1 6 LEU HB2 2.650 . 2.650 2.590 2.320 2.730 0.080 15 0 "[ . 1 . 2]" 1
23 1 6 LEU H 1 6 LEU HB3 3.780 . 3.780 3.693 3.515 3.819 0.039 15 0 "[ . 1 . 2]" 1
24 1 6 LEU H 1 6 LEU HG 3.880 . 3.880 3.039 2.436 3.844 . 0 0 "[ . 1 . 2]" 1
25 1 6 LEU H 1 7 ASP H 4.000 . 4.000 3.867 2.666 4.222 0.222 6 0 "[ . 1 . 2]" 1
26 1 6 LEU HA 1 6 LEU HG 3.090 . 3.090 3.054 2.565 3.143 0.053 8 0 "[ . 1 . 2]" 1
27 1 6 LEU HA 1 7 ASP H 2.800 . 2.800 2.162 1.980 2.556 . 0 0 "[ . 1 . 2]" 1
28 1 6 LEU HA 1 7 ASP HB3 5.170 . 5.170 4.768 4.460 5.311 0.141 14 0 "[ . 1 . 2]" 1
29 1 6 LEU HA 1 8 LEU H 5.250 . 5.250 3.765 2.905 4.663 . 0 0 "[ . 1 . 2]" 1
30 1 6 LEU HA 1 8 LEU HB2 4.810 . 4.810 4.710 4.094 5.006 0.196 9 0 "[ . 1 . 2]" 1
31 1 6 LEU HB2 1 8 LEU H 4.450 . 4.450 4.071 2.767 4.543 0.093 5 0 "[ . 1 . 2]" 1
32 1 6 LEU HB3 1 7 ASP H 3.820 . 3.820 3.630 2.484 4.033 0.213 2 0 "[ . 1 . 2]" 1
33 1 6 LEU HB3 1 8 LEU H 4.760 . 4.760 3.329 1.884 4.292 . 0 0 "[ . 1 . 2]" 1
34 1 7 ASP H 1 7 ASP HB2 3.490 . 3.490 3.207 2.653 3.600 0.110 3 0 "[ . 1 . 2]" 1
35 1 7 ASP H 1 7 ASP HB3 3.420 . 3.420 2.756 2.393 3.429 0.009 14 0 "[ . 1 . 2]" 1
36 1 7 ASP H 1 8 LEU H 3.810 . 3.810 3.022 2.212 3.835 0.025 9 0 "[ . 1 . 2]" 1
37 1 7 ASP H 1 8 LEU HA 5.500 . 5.500 4.990 4.163 5.513 0.013 2 0 "[ . 1 . 2]" 1
38 1 7 ASP H 1 8 LEU QD 4.540 . 4.540 3.658 2.111 4.770 0.230 14 0 "[ . 1 . 2]" 1
39 1 7 ASP HA 1 8 LEU H 2.730 . 2.730 2.551 1.942 2.950 0.220 7 0 "[ . 1 . 2]" 1
40 1 7 ASP HB2 1 8 LEU H 4.270 . 4.270 4.256 4.059 4.337 0.067 16 0 "[ . 1 . 2]" 1
41 1 7 ASP HB3 1 8 LEU H 4.740 . 4.740 4.320 3.667 4.566 . 0 0 "[ . 1 . 2]" 1
42 1 8 LEU H 1 8 LEU HB2 2.750 . 2.750 2.546 2.207 2.778 0.028 14 0 "[ . 1 . 2]" 1
43 1 8 LEU H 1 8 LEU HB3 3.650 . 3.650 3.657 3.132 3.783 0.133 13 0 "[ . 1 . 2]" 1
44 1 8 LEU H 1 8 LEU QD 3.590 . 3.590 3.128 2.133 3.806 0.216 19 0 "[ . 1 . 2]" 1
45 1 8 LEU H 1 9 GLN H 4.630 . 4.630 4.235 2.040 4.613 . 0 0 "[ . 1 . 2]" 1
46 1 8 LEU H 1 9 GLN HE21 4.440 . 4.440 3.756 3.103 4.433 . 0 0 "[ . 1 . 2]" 1
47 1 8 LEU H 1 9 GLN HE22 5.370 . 5.370 5.092 4.532 5.455 0.085 14 0 "[ . 1 . 2]" 1
48 1 8 LEU HA 1 8 LEU QD 2.970 . 2.970 2.104 1.988 2.272 . 0 0 "[ . 1 . 2]" 1
49 1 8 LEU HA 1 9 GLN H 2.670 . 2.670 2.276 2.059 2.749 0.079 14 0 "[ . 1 . 2]" 1
50 1 8 LEU HA 1 12 ASP QB 4.930 . 4.930 4.100 3.550 4.556 . 0 0 "[ . 1 . 2]" 1
51 1 8 LEU HB2 1 8 LEU QD 2.720 . 2.720 2.276 2.200 2.420 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU HB2 1 8 LEU HG 2.590 . 2.590 2.460 2.306 2.526 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU HB2 1 9 GLN H 4.090 . 4.090 4.011 3.324 4.186 0.096 10 0 "[ . 1 . 2]" 1
54 1 8 LEU HB3 1 9 GLN H 3.520 . 3.520 3.083 2.242 3.730 0.210 14 0 "[ . 1 . 2]" 1
55 1 8 LEU HB3 1 29 VAL QG 3.680 . 3.680 2.336 1.909 4.352 0.672 14 1 "[ . 1 +. 2]" 1
56 1 8 LEU QD 1 9 GLN H 3.390 . 3.390 3.557 3.138 3.893 0.503 14 1 "[ . 1 +. 2]" 1
57 1 8 LEU QD 1 11 GLY H 5.290 . 5.290 6.633 5.783 7.489 2.199 2 19 "[*+******** *****-***]" 1
58 1 8 LEU QD 1 12 ASP H 4.300 . 4.300 5.582 4.869 6.507 2.207 14 20 [**********-**+******] 1
59 1 8 LEU QD 1 12 ASP QB 4.240 . 4.240 3.511 2.404 4.975 0.735 14 1 "[ . 1 +. 2]" 1
60 1 8 LEU QD 1 13 VAL H 4.930 . 4.930 5.519 3.794 7.860 2.930 14 11 "[ * . * ** *+** *-*]" 1
61 1 8 LEU QD 1 29 VAL HB 3.390 . 3.390 4.731 3.971 5.488 2.098 2 20 [*+*-****************] 1
62 1 9 GLN H 1 9 GLN HB2 3.420 . 3.420 2.506 2.316 2.684 . 0 0 "[ . 1 . 2]" 1
63 1 9 GLN H 1 9 GLN HB3 4.030 . 4.030 3.678 3.540 3.789 . 0 0 "[ . 1 . 2]" 1
64 1 9 GLN H 1 9 GLN QG 3.650 . 3.650 2.992 2.688 3.333 . 0 0 "[ . 1 . 2]" 1
65 1 9 GLN H 1 10 PRO HA 5.440 . 5.440 5.235 4.798 5.521 0.081 9 0 "[ . 1 . 2]" 1
66 1 9 GLN H 1 10 PRO HD2 5.420 . 5.420 5.096 5.065 5.142 . 0 0 "[ . 1 . 2]" 1
67 1 9 GLN H 1 10 PRO HD3 5.040 . 5.040 4.677 4.560 4.863 . 0 0 "[ . 1 . 2]" 1
68 1 9 GLN H 1 12 ASP H 4.690 . 4.690 4.368 3.599 4.721 0.031 10 0 "[ . 1 . 2]" 1
69 1 9 GLN H 1 12 ASP QB . . 3.990 2.859 2.392 3.417 . 0 0 "[ . 1 . 2]" 1
70 1 9 GLN H 1 29 VAL QG 4.300 . 4.300 3.406 2.770 3.923 . 0 0 "[ . 1 . 2]" 1
71 1 9 GLN HA 1 9 GLN HE21 4.720 . 4.720 2.387 2.194 2.761 . 0 0 "[ . 1 . 2]" 1
72 1 9 GLN HA 1 9 GLN HE22 5.440 . 5.440 3.149 3.026 3.240 . 0 0 "[ . 1 . 2]" 1
73 1 9 GLN HA 1 9 GLN QG 3.560 . 3.560 2.848 2.813 2.894 . 0 0 "[ . 1 . 2]" 1
74 1 9 GLN HA 1 10 PRO HD2 2.990 . 2.990 2.905 2.753 3.026 0.036 18 0 "[ . 1 . 2]" 1
75 1 9 GLN HA 1 10 PRO HD3 3.010 . 3.010 1.974 1.848 2.160 . 0 0 "[ . 1 . 2]" 1
76 1 9 GLN HB2 1 10 PRO HD2 4.200 . 4.200 3.827 3.640 3.944 . 0 0 "[ . 1 . 2]" 1
77 1 9 GLN HB2 1 12 ASP H 5.500 . 5.500 4.552 3.837 5.061 . 0 0 "[ . 1 . 2]" 1
78 1 9 GLN HB3 1 9 GLN HE22 5.290 . 5.290 4.366 4.273 4.567 . 0 0 "[ . 1 . 2]" 1
79 1 9 GLN HB3 1 10 PRO HD2 3.480 . 3.480 2.206 2.007 2.353 . 0 0 "[ . 1 . 2]" 1
80 1 9 GLN HB3 1 10 PRO HD3 3.700 . 3.700 3.023 2.905 3.178 . 0 0 "[ . 1 . 2]" 1
81 1 9 GLN HB3 1 12 ASP H 5.500 . 5.500 5.028 4.385 5.460 . 0 0 "[ . 1 . 2]" 1
82 1 9 GLN HE22 1 10 PRO HG3 5.500 . 5.500 5.521 5.456 5.556 0.056 14 0 "[ . 1 . 2]" 1
83 1 9 GLN QG 1 10 PRO HD2 4.250 . 4.250 3.994 3.847 4.155 . 0 0 "[ . 1 . 2]" 1
84 1 10 PRO HA 1 11 GLY H 2.440 . 2.440 2.119 2.043 2.277 . 0 0 "[ . 1 . 2]" 1
85 1 10 PRO HA 1 12 ASP H 3.700 . 3.700 3.353 3.104 3.805 0.105 11 0 "[ . 1 . 2]" 1
86 1 10 PRO HA 1 29 VAL H 5.500 . 5.500 4.744 4.507 5.023 . 0 0 "[ . 1 . 2]" 1
87 1 10 PRO HA 1 29 VAL HB 3.370 . 3.370 2.817 2.378 3.323 . 0 0 "[ . 1 . 2]" 1
88 1 10 PRO HA 1 29 VAL QG . . 3.090 2.373 2.052 2.736 . 0 0 "[ . 1 . 2]" 1
89 1 10 PRO HA 1 30 ILE H 5.370 . 5.370 4.365 3.953 4.708 . 0 0 "[ . 1 . 2]" 1
90 1 10 PRO HA 1 31 ARG HA 3.950 . 3.950 3.889 3.556 4.043 0.093 11 0 "[ . 1 . 2]" 1
91 1 10 PRO HA 1 32 VAL QG 4.960 . 4.960 4.086 3.301 4.813 . 0 0 "[ . 1 . 2]" 1
92 1 10 PRO HB2 1 11 GLY H 4.130 . 4.130 3.816 3.425 4.082 . 0 0 "[ . 1 . 2]" 1
93 1 10 PRO HB3 1 11 GLY H 4.010 . 4.010 3.804 3.469 4.196 0.186 11 0 "[ . 1 . 2]" 1
94 1 10 PRO HB3 1 30 ILE HA 4.450 . 4.450 3.575 3.066 4.522 0.072 3 0 "[ . 1 . 2]" 1
95 1 10 PRO HB3 1 31 ARG HA 4.350 . 4.350 2.461 1.939 2.953 . 0 0 "[ . 1 . 2]" 1
96 1 10 PRO HB3 1 32 VAL QG 5.500 . 5.500 3.965 2.797 4.804 . 0 0 "[ . 1 . 2]" 1
97 1 10 PRO HD2 1 32 VAL QG 4.890 . 4.890 3.734 3.350 4.269 . 0 0 "[ . 1 . 2]" 1
98 1 10 PRO HD3 1 32 VAL H 5.500 . 5.500 4.355 4.071 4.593 . 0 0 "[ . 1 . 2]" 1
99 1 10 PRO HD3 1 32 VAL QG 4.780 . 4.780 2.387 1.993 2.903 . 0 0 "[ . 1 . 2]" 1
100 1 10 PRO HG2 1 31 ARG HA 5.480 . 5.480 3.838 3.395 4.692 . 0 0 "[ . 1 . 2]" 1
101 1 10 PRO HG3 1 31 ARG HA 4.170 . 4.170 2.572 1.961 3.613 . 0 0 "[ . 1 . 2]" 1
102 1 11 GLY H 1 12 ASP H 3.290 . 3.290 2.144 1.679 2.361 . 0 0 "[ . 1 . 2]" 1
103 1 11 GLY H 1 12 ASP QB 5.360 . 5.360 3.895 3.488 4.077 . 0 0 "[ . 1 . 2]" 1
104 1 11 GLY H 1 28 ARG QB 5.370 . 5.370 4.624 3.677 5.653 0.283 1 0 "[ . 1 . 2]" 1
105 1 11 GLY H 1 28 ARG QD 5.500 . 5.500 5.596 4.059 6.866 1.366 13 8 "[ **- * * +*.* 2]" 1
106 1 11 GLY H 1 28 ARG QG 4.730 . 4.730 4.795 3.058 6.558 1.828 6 9 "[ **.+*- * * . **2]" 1
107 1 11 GLY H 1 29 VAL H 4.440 . 4.440 3.752 3.383 4.236 . 0 0 "[ . 1 . 2]" 1
108 1 11 GLY H 1 29 VAL HA 4.920 . 4.920 4.645 4.513 4.955 0.035 11 0 "[ . 1 . 2]" 1
109 1 11 GLY H 1 29 VAL HB 3.420 . 3.420 2.828 2.135 3.421 0.001 3 0 "[ . 1 . 2]" 1
110 1 11 GLY H 1 29 VAL QG 4.060 . 4.060 3.441 3.075 3.651 . 0 0 "[ . 1 . 2]" 1
111 1 11 GLY H 1 30 ILE HA 4.560 . 4.560 3.576 3.005 4.562 0.002 18 0 "[ . 1 . 2]" 1
112 1 11 GLY QA 1 28 ARG QB 5.080 . 5.080 4.278 3.374 5.396 0.316 1 0 "[ . 1 . 2]" 1
113 1 11 GLY QA 1 28 ARG QD 3.460 . 3.460 4.536 2.855 6.076 2.616 14 13 "[- **** * * *+.* ***]" 1
114 1 11 GLY QA 1 28 ARG QG 4.230 . 4.230 4.287 2.923 5.778 1.548 6 9 "[ **.+** * - . **2]" 1
115 1 12 ASP H 1 12 ASP QB 3.080 . 3.080 2.193 2.044 2.265 . 0 0 "[ . 1 . 2]" 1
116 1 12 ASP H 1 13 VAL H 4.550 . 4.550 4.533 4.429 4.586 0.036 4 0 "[ . 1 . 2]" 1
117 1 12 ASP H 1 13 VAL HA 5.500 . 5.500 5.427 5.299 5.536 0.036 12 0 "[ . 1 . 2]" 1
118 1 12 ASP H 1 13 VAL QG 5.500 . 5.500 5.096 4.656 5.547 0.047 13 0 "[ . 1 . 2]" 1
119 1 12 ASP H 1 28 ARG HA 5.130 . 5.130 5.032 4.829 5.196 0.066 18 0 "[ . 1 . 2]" 1
120 1 12 ASP H 1 28 ARG QG 5.360 . 5.360 5.293 3.637 6.823 1.463 6 8 "[ .+** * *- . **2]" 1
121 1 12 ASP H 1 29 VAL H 4.050 . 4.050 3.532 3.277 3.732 . 0 0 "[ . 1 . 2]" 1
122 1 12 ASP H 1 29 VAL HA 5.370 . 5.370 5.268 5.108 5.430 0.060 7 0 "[ . 1 . 2]" 1
123 1 12 ASP H 1 29 VAL HB 3.150 . 3.150 2.588 2.427 3.016 . 0 0 "[ . 1 . 2]" 1
124 1 12 ASP H 1 29 VAL QG . . 3.560 3.386 3.241 3.776 0.216 3 0 "[ . 1 . 2]" 1
125 1 12 ASP HA 1 13 VAL H 2.630 . 2.630 2.309 2.038 2.580 . 0 0 "[ . 1 . 2]" 1
126 1 12 ASP HA 1 13 VAL HB 4.850 . 4.850 4.508 4.064 4.767 . 0 0 "[ . 1 . 2]" 1
127 1 12 ASP HA 1 13 VAL QG 3.630 . 3.630 3.403 3.156 3.647 0.017 11 0 "[ . 1 . 2]" 1
128 1 12 ASP HA 1 14 VAL QG 5.500 . 5.500 4.343 3.772 5.101 . 0 0 "[ . 1 . 2]" 1
129 1 12 ASP QB 1 13 VAL H . . 3.450 3.113 2.130 3.284 . 0 0 "[ . 1 . 2]" 1
130 1 12 ASP QB 1 14 VAL QG . . 4.050 2.691 1.990 3.239 . 0 0 "[ . 1 . 2]" 1
131 1 12 ASP QB 1 29 VAL H . . 4.550 3.161 2.481 3.770 . 0 0 "[ . 1 . 2]" 1
132 1 12 ASP QB 1 29 VAL HB . . 3.430 2.584 2.223 2.902 . 0 0 "[ . 1 . 2]" 1
133 1 12 ASP QB 1 29 VAL QG . . 3.730 2.205 1.967 2.582 . 0 0 "[ . 1 . 2]" 1
134 1 12 ASP QB 1 57 LEU QD 4.760 . 4.760 5.099 3.395 6.591 1.831 17 10 "[ *.** ** * .*+ *-]" 1
135 1 13 VAL H 1 13 VAL HB 2.950 . 2.950 2.865 2.605 3.079 0.129 4 0 "[ . 1 . 2]" 1
136 1 13 VAL H 1 13 VAL QG 3.360 . 3.360 2.476 1.921 2.942 . 0 0 "[ . 1 . 2]" 1
137 1 13 VAL H 1 14 VAL H 5.040 . 5.040 4.117 3.839 4.421 . 0 0 "[ . 1 . 2]" 1
138 1 13 VAL H 1 14 VAL QG 4.930 . 4.930 3.294 2.756 3.721 . 0 0 "[ . 1 . 2]" 1
139 1 13 VAL H 1 57 LEU QD 5.110 . 5.110 5.740 3.664 7.334 2.224 7 11 "[ *.*+ *** * .**-*2]" 1
140 1 13 VAL HA 1 14 VAL H 2.690 . 2.690 2.114 2.063 2.163 . 0 0 "[ . 1 . 2]" 1
141 1 13 VAL HA 1 14 VAL QG . . 4.210 3.224 3.065 3.409 . 0 0 "[ . 1 . 2]" 1
142 1 13 VAL HA 1 27 ALA H 4.740 . 4.740 4.663 4.468 4.799 0.059 1 0 "[ . 1 . 2]" 1
143 1 13 VAL HA 1 28 ARG HA 3.050 . 3.050 2.537 2.143 2.907 . 0 0 "[ . 1 . 2]" 1
144 1 13 VAL HA 1 28 ARG QD 4.290 . 4.290 4.505 2.281 5.915 1.625 8 13 "[** ** +**- **. ***2]" 1
145 1 13 VAL HA 1 28 ARG QG 4.790 . 4.790 3.924 2.207 5.483 0.693 5 2 "[ + - 1 . 2]" 1
146 1 13 VAL HA 1 29 VAL H 4.020 . 4.020 3.743 3.280 4.061 0.041 3 0 "[ . 1 . 2]" 1
147 1 13 VAL HB 1 14 VAL H 4.640 . 4.640 4.284 4.149 4.404 . 0 0 "[ . 1 . 2]" 1
148 1 13 VAL HB 1 14 VAL QG 5.500 . 5.500 4.638 4.391 4.939 . 0 0 "[ . 1 . 2]" 1
149 1 13 VAL HB 1 28 ARG QG 3.310 . 3.310 5.409 3.440 7.774 4.464 8 18 "[*** ***+*- *********]" 1
150 1 13 VAL QG 1 14 VAL H 3.620 . 3.620 2.955 2.559 3.208 . 0 0 "[ . 1 . 2]" 1
151 1 13 VAL QG 1 26 ARG QD 3.590 . 3.590 3.107 1.815 5.313 1.723 17 2 "[ . 1- . + 2]" 1
152 1 13 VAL QG 1 26 ARG QG 3.810 . 3.810 2.829 2.225 4.043 0.233 17 0 "[ . 1 . 2]" 1
153 1 13 VAL QG 1 28 ARG HA 3.570 . 3.570 3.634 2.876 4.147 0.577 6 1 "[ .+ 1 . 2]" 1
154 1 13 VAL QG 1 28 ARG QD 4.570 . 4.570 3.694 1.894 5.091 0.521 14 1 "[ . 1 +. 2]" 1
155 1 13 VAL QG 1 28 ARG QG 3.570 . 3.570 3.589 2.058 5.337 1.767 13 6 "[- * * 1 +*. * 2]" 1
156 1 13 VAL QG 1 29 VAL H 5.500 . 5.500 4.714 4.025 5.225 . 0 0 "[ . 1 . 2]" 1
157 1 14 VAL H 1 14 VAL QG 3.240 . 3.240 2.107 1.924 2.290 . 0 0 "[ . 1 . 2]" 1
158 1 14 VAL H 1 26 ARG HA 4.930 . 4.930 4.873 4.469 4.967 0.037 4 0 "[ . 1 . 2]" 1
159 1 14 VAL H 1 26 ARG QG 5.250 . 5.250 4.347 3.744 6.469 1.219 17 2 "[ . 1- . + 2]" 1
160 1 14 VAL H 1 27 ALA H 3.580 . 3.580 3.205 2.995 3.369 . 0 0 "[ . 1 . 2]" 1
161 1 14 VAL H 1 27 ALA MB 3.480 . 3.480 3.864 3.347 4.065 0.585 16 4 "[**- . 1 .+ 2]" 1
162 1 14 VAL H 1 28 ARG HA 3.780 . 3.780 3.104 2.638 3.534 . 0 0 "[ . 1 . 2]" 1
163 1 14 VAL H 1 29 VAL H 5.290 . 5.290 4.164 3.910 4.404 . 0 0 "[ . 1 . 2]" 1
164 1 14 VAL H 1 29 VAL QG 5.180 . 5.180 4.005 3.566 4.478 . 0 0 "[ . 1 . 2]" 1
165 1 14 VAL HA 1 14 VAL QG . . 3.120 2.308 2.218 2.358 . 0 0 "[ . 1 . 2]" 1
166 1 14 VAL HA 1 15 LYS H 3.030 . 3.030 2.411 2.272 2.612 . 0 0 "[ . 1 . 2]" 1
167 1 14 VAL HA 1 15 LYS HA 5.110 . 5.110 4.414 4.296 4.474 . 0 0 "[ . 1 . 2]" 1
168 1 14 VAL HA 1 15 LYS QG . . 3.870 3.529 3.363 3.706 . 0 0 "[ . 1 . 2]" 1
169 1 14 VAL HA 1 56 ARG H 5.460 . 5.460 5.064 4.531 5.473 0.013 9 0 "[ . 1 . 2]" 1
170 1 14 VAL HA 1 58 ILE H 3.950 . 3.950 3.626 2.981 3.983 0.033 16 0 "[ . 1 . 2]" 1
171 1 14 VAL HA 1 58 ILE MD 3.830 . 3.830 5.782 3.796 7.558 3.728 7 19 "[**-***+********* ***]" 1
172 1 14 VAL HB 1 15 LYS H 2.820 . 2.820 2.175 2.015 2.344 . 0 0 "[ . 1 . 2]" 1
173 1 14 VAL HB 1 15 LYS HA 4.580 . 4.580 4.333 4.157 4.512 . 0 0 "[ . 1 . 2]" 1
174 1 14 VAL HB 1 15 LYS QG 4.430 . 4.430 3.776 3.644 4.140 . 0 0 "[ . 1 . 2]" 1
175 1 14 VAL HB 1 16 VAL QG 4.020 . 4.020 3.422 3.068 4.184 0.164 15 0 "[ . 1 . 2]" 1
176 1 14 VAL HB 1 55 VAL HA 5.070 . 5.070 4.257 3.835 4.688 . 0 0 "[ . 1 . 2]" 1
177 1 14 VAL HB 1 55 VAL QG 3.320 . 3.320 2.446 2.167 2.898 . 0 0 "[ . 1 . 2]" 1
178 1 14 VAL HB 1 56 ARG H 3.880 . 3.880 3.201 2.637 3.523 . 0 0 "[ . 1 . 2]" 1
179 1 14 VAL HB 1 57 LEU H 5.500 . 5.500 4.588 4.366 5.006 . 0 0 "[ . 1 . 2]" 1
180 1 14 VAL HB 1 57 LEU HA 4.250 . 4.250 3.137 2.414 3.743 . 0 0 "[ . 1 . 2]" 1
181 1 14 VAL HB 1 58 ILE H 5.500 . 5.500 5.153 4.313 5.494 . 0 0 "[ . 1 . 2]" 1
182 1 14 VAL QG 1 15 LYS H . . 4.040 3.018 2.836 3.142 . 0 0 "[ . 1 . 2]" 1
183 1 14 VAL QG 1 15 LYS HA 4.480 . 4.480 3.635 3.401 3.905 . 0 0 "[ . 1 . 2]" 1
184 1 14 VAL QG 1 16 VAL H 5.500 . 5.500 4.025 3.725 4.218 . 0 0 "[ . 1 . 2]" 1
185 1 14 VAL QG 1 16 VAL QG 3.720 . 3.720 2.071 1.913 2.620 . 0 0 "[ . 1 . 2]" 1
186 1 14 VAL QG 1 27 ALA H 4.020 . 4.020 3.308 3.024 3.740 . 0 0 "[ . 1 . 2]" 1
187 1 14 VAL QG 1 27 ALA MB 3.430 . 3.430 2.425 2.021 3.048 . 0 0 "[ . 1 . 2]" 1
188 1 14 VAL QG 1 28 ARG H 4.880 . 4.880 4.179 3.574 4.855 . 0 0 "[ . 1 . 2]" 1
189 1 14 VAL QG 1 28 ARG HA . . 3.960 3.171 2.380 3.809 . 0 0 "[ . 1 . 2]" 1
190 1 14 VAL QG 1 29 VAL H 4.970 . 4.970 3.132 2.503 3.648 . 0 0 "[ . 1 . 2]" 1
191 1 14 VAL QG 1 29 VAL QG 3.710 . 3.710 2.113 1.842 2.574 . 0 0 "[ . 1 . 2]" 1
192 1 14 VAL QG 1 55 VAL HB . . 4.320 4.169 3.897 4.418 0.098 16 0 "[ . 1 . 2]" 1
193 1 14 VAL QG 1 55 VAL QG 3.370 . 3.370 1.978 1.856 2.167 . 0 0 "[ . 1 . 2]" 1
194 1 14 VAL QG 1 56 ARG H 5.280 . 5.280 3.720 3.302 3.958 . 0 0 "[ . 1 . 2]" 1
195 1 14 VAL QG 1 57 LEU H 5.380 . 5.380 3.831 3.213 4.297 . 0 0 "[ . 1 . 2]" 1
196 1 14 VAL QG 1 57 LEU HA 3.510 . 3.510 2.000 1.850 2.289 . 0 0 "[ . 1 . 2]" 1
197 1 14 VAL QG 1 57 LEU QB 5.250 . 5.250 2.834 1.962 3.837 . 0 0 "[ . 1 . 2]" 1
198 1 14 VAL QG 1 58 ILE H 4.580 . 4.580 3.644 3.241 3.967 . 0 0 "[ . 1 . 2]" 1
199 1 14 VAL QG 1 58 ILE MD 3.000 . 3.000 5.342 4.396 6.129 3.129 11 20 [**********+*****-***] 1
200 1 15 LYS H 1 15 LYS HB2 3.960 . 3.960 3.560 2.792 3.640 . 0 0 "[ . 1 . 2]" 1
201 1 15 LYS H 1 15 LYS HB3 3.590 . 3.590 3.278 3.164 3.626 0.036 11 0 "[ . 1 . 2]" 1
202 1 15 LYS H 1 15 LYS QD 4.530 . 4.530 4.018 3.961 4.107 . 0 0 "[ . 1 . 2]" 1
203 1 15 LYS H 1 15 LYS QG 3.810 . 3.810 2.026 1.915 2.150 . 0 0 "[ . 1 . 2]" 1
204 1 15 LYS H 1 16 VAL H 4.920 . 4.920 4.282 4.191 4.356 . 0 0 "[ . 1 . 2]" 1
205 1 15 LYS H 1 26 ARG HA 5.500 . 5.500 4.957 4.631 5.336 . 0 0 "[ . 1 . 2]" 1
206 1 15 LYS H 1 27 ALA MB 5.500 . 5.500 5.050 4.129 5.622 0.122 17 0 "[ . 1 . 2]" 1
207 1 15 LYS H 1 55 VAL HA 5.500 . 5.500 4.678 4.452 5.009 . 0 0 "[ . 1 . 2]" 1
208 1 15 LYS H 1 56 ARG H 3.860 . 3.860 3.208 2.901 3.444 . 0 0 "[ . 1 . 2]" 1
209 1 15 LYS H 1 57 LEU HA 4.550 . 4.550 3.595 3.052 3.980 . 0 0 "[ . 1 . 2]" 1
210 1 15 LYS H 1 58 ILE H 5.000 . 5.000 4.864 3.469 5.076 0.076 3 0 "[ . 1 . 2]" 1
211 1 15 LYS HA 1 15 LYS QD 4.770 . 4.770 4.232 3.938 4.300 . 0 0 "[ . 1 . 2]" 1
212 1 15 LYS HA 1 15 LYS QG 3.820 . 3.820 3.273 2.682 3.341 . 0 0 "[ . 1 . 2]" 1
213 1 15 LYS HA 1 16 VAL H 2.610 . 2.610 2.107 2.051 2.177 . 0 0 "[ . 1 . 2]" 1
214 1 15 LYS HA 1 16 VAL QG 3.390 . 3.390 3.365 3.142 3.540 0.150 19 0 "[ . 1 . 2]" 1
215 1 15 LYS HA 1 24 TRP HB3 5.200 . 5.200 4.286 3.980 4.539 . 0 0 "[ . 1 . 2]" 1
216 1 15 LYS HA 1 25 VAL H 4.390 . 4.390 4.399 4.269 4.429 0.039 7 0 "[ . 1 . 2]" 1
217 1 15 LYS HA 1 26 ARG H 5.060 . 5.060 4.730 4.500 4.973 . 0 0 "[ . 1 . 2]" 1
218 1 15 LYS HA 1 26 ARG HA 2.970 . 2.970 2.521 2.162 2.952 . 0 0 "[ . 1 . 2]" 1
219 1 15 LYS HA 1 27 ALA H 3.650 . 3.650 3.063 2.350 3.473 . 0 0 "[ . 1 . 2]" 1
220 1 15 LYS HA 1 27 ALA MB 4.890 . 4.890 3.830 2.899 4.277 . 0 0 "[ . 1 . 2]" 1
221 1 15 LYS HB2 1 15 LYS QD 3.610 . 3.610 2.319 2.212 2.428 . 0 0 "[ . 1 . 2]" 1
222 1 15 LYS HB2 1 15 LYS QE 4.700 . 4.700 3.914 3.815 4.020 . 0 0 "[ . 1 . 2]" 1
223 1 15 LYS HB2 1 16 VAL H 4.170 . 4.170 3.226 2.895 3.800 . 0 0 "[ . 1 . 2]" 1
224 1 15 LYS HB2 1 16 VAL QG 4.760 . 4.760 4.574 4.287 4.747 . 0 0 "[ . 1 . 2]" 1
225 1 15 LYS HB2 1 24 TRP HB3 3.960 . 3.960 2.221 1.985 3.091 . 0 0 "[ . 1 . 2]" 1
226 1 15 LYS HB2 1 24 TRP HE3 3.440 . 3.440 2.465 2.400 2.527 . 0 0 "[ . 1 . 2]" 1
227 1 15 LYS HB2 1 25 VAL H 5.180 . 5.180 4.386 3.915 5.226 0.046 11 0 "[ . 1 . 2]" 1
228 1 15 LYS HB3 1 16 VAL H 4.330 . 4.330 3.938 3.235 4.166 . 0 0 "[ . 1 . 2]" 1
229 1 15 LYS HB3 1 24 TRP HB3 4.450 . 4.450 3.507 2.249 3.773 . 0 0 "[ . 1 . 2]" 1
230 1 15 LYS HB3 1 24 TRP HE3 4.080 . 4.080 4.089 2.898 4.187 0.107 15 0 "[ . 1 . 2]" 1
231 1 15 LYS QD 1 24 TRP HB3 . . 4.530 2.919 2.367 3.408 . 0 0 "[ . 1 . 2]" 1
232 1 15 LYS QD 1 24 TRP HE3 . . 4.200 3.357 2.966 3.926 . 0 0 "[ . 1 . 2]" 1
233 1 15 LYS QE 1 56 ARG HB3 4.620 . 4.620 2.572 2.115 4.619 . 0 0 "[ . 1 . 2]" 1
234 1 15 LYS QE 1 57 LEU HA 5.170 . 5.170 4.798 4.547 5.136 . 0 0 "[ . 1 . 2]" 1
235 1 15 LYS QE 1 58 ILE H 5.070 . 5.070 4.781 3.413 5.105 0.035 9 0 "[ . 1 . 2]" 1
236 1 15 LYS QE 1 58 ILE MD 4.980 . 4.980 6.364 3.054 7.212 2.232 7 19 "[******+*** *****-***]" 1
237 1 15 LYS QE 1 58 ILE MG . . 3.530 4.679 3.969 6.056 2.526 7 19 "[******+********-* **]" 1
238 1 15 LYS QG 1 16 VAL H 5.500 . 5.500 4.285 4.115 4.465 . 0 0 "[ . 1 . 2]" 1
239 1 15 LYS QG 1 24 TRP HE3 5.500 . 5.500 3.063 2.500 4.418 . 0 0 "[ . 1 . 2]" 1
240 1 15 LYS QG 1 58 ILE MG 4.000 . 4.000 4.366 2.990 6.011 2.011 4 6 "[* +. * -** . 2]" 1
241 1 16 VAL H 1 16 VAL HB 3.750 . 3.750 3.119 2.669 3.806 0.056 4 0 "[ . 1 . 2]" 1
242 1 16 VAL H 1 16 VAL QG . . 3.880 2.492 2.056 2.800 . 0 0 "[ . 1 . 2]" 1
243 1 16 VAL H 1 17 LEU H 5.050 . 5.050 4.232 4.134 4.337 . 0 0 "[ . 1 . 2]" 1
244 1 16 VAL H 1 24 TRP HB3 4.930 . 4.930 4.071 3.735 4.313 . 0 0 "[ . 1 . 2]" 1
245 1 16 VAL H 1 24 TRP HE3 3.960 . 3.960 3.364 3.151 3.534 . 0 0 "[ . 1 . 2]" 1
246 1 16 VAL H 1 24 TRP HZ3 4.880 . 4.880 4.864 4.766 4.924 0.044 11 0 "[ . 1 . 2]" 1
247 1 16 VAL H 1 25 VAL H 3.530 . 3.530 2.929 2.736 3.075 . 0 0 "[ . 1 . 2]" 1
248 1 16 VAL H 1 25 VAL HB 5.500 . 5.500 5.039 4.099 5.366 . 0 0 "[ . 1 . 2]" 1
249 1 16 VAL H 1 25 VAL QG 4.420 . 4.420 3.346 2.933 4.396 . 0 0 "[ . 1 . 2]" 1
250 1 16 VAL H 1 26 ARG HA 4.290 . 4.290 3.715 3.181 4.087 . 0 0 "[ . 1 . 2]" 1
251 1 16 VAL H 1 27 ALA MB 5.290 . 5.290 3.444 2.868 3.790 . 0 0 "[ . 1 . 2]" 1
252 1 16 VAL HA 1 17 LEU H 2.710 . 2.710 2.113 2.028 2.190 . 0 0 "[ . 1 . 2]" 1
253 1 16 VAL HA 1 17 LEU HA 5.190 . 5.190 4.281 4.199 4.359 . 0 0 "[ . 1 . 2]" 1
254 1 16 VAL HA 1 17 LEU HB2 4.740 . 4.740 4.522 4.432 4.607 . 0 0 "[ . 1 . 2]" 1
255 1 16 VAL HA 1 17 LEU HB3 4.680 . 4.680 4.553 4.405 4.627 . 0 0 "[ . 1 . 2]" 1
256 1 16 VAL HA 1 24 TRP HE3 3.580 . 3.580 2.807 2.609 3.033 . 0 0 "[ . 1 . 2]" 1
257 1 16 VAL HA 1 24 TRP HH2 5.410 . 5.410 4.851 4.703 5.104 . 0 0 "[ . 1 . 2]" 1
258 1 16 VAL HA 1 24 TRP HZ3 3.510 . 3.510 2.688 2.551 2.915 . 0 0 "[ . 1 . 2]" 1
259 1 16 VAL HA 1 54 GLN QG 5.250 . 5.250 5.689 4.219 6.224 0.974 3 8 "[ +*. **1 - ** *]" 1
260 1 16 VAL HA 1 55 VAL HA 2.970 . 2.970 2.494 2.238 2.627 . 0 0 "[ . 1 . 2]" 1
261 1 16 VAL HA 1 55 VAL HB 5.500 . 5.500 5.338 4.814 5.499 . 0 0 "[ . 1 . 2]" 1
262 1 16 VAL HA 1 55 VAL QG 4.600 . 4.600 3.223 2.693 3.433 . 0 0 "[ . 1 . 2]" 1
263 1 16 VAL HA 1 56 ARG H 4.020 . 4.020 3.525 3.346 3.767 . 0 0 "[ . 1 . 2]" 1
264 1 16 VAL HB 1 17 LEU H 4.020 . 4.020 3.679 2.790 4.081 0.061 14 0 "[ . 1 . 2]" 1
265 1 16 VAL HB 1 25 VAL H 5.280 . 5.280 4.541 3.824 5.332 0.052 15 0 "[ . 1 . 2]" 1
266 1 16 VAL HB 1 25 VAL QG 4.180 . 4.180 3.741 2.631 5.738 1.558 10 2 "[ - . + . 2]" 1
267 1 16 VAL HB 1 27 ALA MB 4.330 . 4.330 3.303 2.240 4.581 0.251 5 0 "[ . 1 . 2]" 1
268 1 16 VAL HB 1 40 VAL QG 4.510 . 4.510 3.208 2.597 3.756 . 0 0 "[ . 1 . 2]" 1
269 1 16 VAL HB 1 48 PHE QE 4.460 . 4.460 3.452 2.408 4.590 0.130 15 0 "[ . 1 . 2]" 1
270 1 16 VAL HB 1 48 PHE HZ 4.340 . 4.340 3.167 2.137 4.302 . 0 0 "[ . 1 . 2]" 1
271 1 16 VAL HB 1 55 VAL HA 5.140 . 5.140 4.488 3.069 5.175 0.035 11 0 "[ . 1 . 2]" 1
272 1 16 VAL QG 1 17 LEU H 3.910 . 3.910 2.862 2.524 3.499 . 0 0 "[ . 1 . 2]" 1
273 1 16 VAL QG 1 17 LEU HA 4.980 . 4.980 3.768 3.494 4.169 . 0 0 "[ . 1 . 2]" 1
274 1 16 VAL QG 1 18 GLU HA 4.330 . 4.330 3.275 2.783 4.328 . 0 0 "[ . 1 . 2]" 1
275 1 16 VAL QG 1 18 GLU QB 4.750 . 4.750 3.327 2.272 3.857 . 0 0 "[ . 1 . 2]" 1
276 1 16 VAL QG 1 24 TRP HE3 5.500 . 5.500 4.046 3.872 4.204 . 0 0 "[ . 1 . 2]" 1
277 1 16 VAL QG 1 25 VAL H . . 4.990 3.831 2.756 4.390 . 0 0 "[ . 1 . 2]" 1
278 1 16 VAL QG 1 25 VAL QG 4.320 . 4.320 3.072 1.923 4.416 0.096 9 0 "[ . 1 . 2]" 1
279 1 16 VAL QG 1 27 ALA H 5.120 . 5.120 3.730 3.025 4.197 . 0 0 "[ . 1 . 2]" 1
280 1 16 VAL QG 1 27 ALA MB 3.400 . 3.400 2.032 1.701 2.778 . 0 0 "[ . 1 . 2]" 1
281 1 16 VAL QG 1 40 VAL QG . . 3.630 1.826 1.634 2.127 . 0 0 "[ . 1 . 2]" 1
282 1 16 VAL QG 1 48 PHE QE . . 3.580 2.335 1.930 3.133 . 0 0 "[ . 1 . 2]" 1
283 1 16 VAL QG 1 48 PHE HZ . . 3.760 2.541 1.803 3.497 . 0 0 "[ . 1 . 2]" 1
284 1 16 VAL QG 1 50 ALA MB . . 3.740 2.409 1.850 3.125 . 0 0 "[ . 1 . 2]" 1
285 1 16 VAL QG 1 54 GLN QE 4.240 . 4.240 3.849 3.029 5.107 0.867 3 2 "[ + . 1 . - 2]" 1
286 1 16 VAL QG 1 54 GLN QG . . 5.020 4.477 2.756 5.941 0.921 3 1 "[ + . 1 . 2]" 1
287 1 16 VAL QG 1 55 VAL H 5.300 . 5.300 4.209 3.823 4.875 . 0 0 "[ . 1 . 2]" 1
288 1 16 VAL QG 1 55 VAL HA 4.610 . 4.610 2.465 2.053 2.984 . 0 0 "[ . 1 . 2]" 1
289 1 16 VAL QG 1 56 ARG H 5.500 . 5.500 3.507 3.205 4.345 . 0 0 "[ . 1 . 2]" 1
290 1 17 LEU H 1 17 LEU HB2 3.470 . 3.470 2.835 2.742 2.977 . 0 0 "[ . 1 . 2]" 1
291 1 17 LEU H 1 17 LEU HB3 3.470 . 3.470 2.501 2.364 2.584 . 0 0 "[ . 1 . 2]" 1
292 1 17 LEU H 1 17 LEU QD 4.650 . 4.650 3.779 3.741 3.802 . 0 0 "[ . 1 . 2]" 1
293 1 17 LEU H 1 17 LEU HG 4.780 . 4.780 4.634 4.409 4.707 . 0 0 "[ . 1 . 2]" 1
294 1 17 LEU H 1 18 GLU H 4.750 . 4.750 4.000 3.786 4.144 . 0 0 "[ . 1 . 2]" 1
295 1 17 LEU H 1 24 TRP HA 5.430 . 5.430 3.762 3.650 4.002 . 0 0 "[ . 1 . 2]" 1
296 1 17 LEU H 1 24 TRP HE3 4.070 . 4.070 3.186 3.050 3.460 . 0 0 "[ . 1 . 2]" 1
297 1 17 LEU H 1 24 TRP HH2 4.530 . 4.530 4.336 4.257 4.446 . 0 0 "[ . 1 . 2]" 1
298 1 17 LEU H 1 24 TRP HZ3 3.880 . 3.880 3.090 2.870 3.255 . 0 0 "[ . 1 . 2]" 1
299 1 17 LEU H 1 54 GLN HA 4.650 . 4.650 3.578 3.241 4.178 . 0 0 "[ . 1 . 2]" 1
300 1 17 LEU H 1 54 GLN QE 5.380 . 5.380 4.322 3.995 4.617 . 0 0 "[ . 1 . 2]" 1
301 1 17 LEU H 1 54 GLN QG 3.700 . 3.700 4.312 2.906 4.816 1.116 20 13 "[ **** **1 * *** *-+]" 1
302 1 17 LEU H 1 55 VAL H 5.340 . 5.340 5.053 4.797 5.376 0.036 6 0 "[ . 1 . 2]" 1
303 1 17 LEU H 1 55 VAL HA 3.990 . 3.990 3.842 3.427 4.039 0.049 2 0 "[ . 1 . 2]" 1
304 1 17 LEU HA 1 17 LEU QD . . 3.200 2.984 2.251 3.134 . 0 0 "[ . 1 . 2]" 1
305 1 17 LEU HA 1 17 LEU HG 3.770 . 3.770 2.755 2.662 3.082 . 0 0 "[ . 1 . 2]" 1
306 1 17 LEU HA 1 18 GLU H 2.670 . 2.670 2.050 1.953 2.259 . 0 0 "[ . 1 . 2]" 1
307 1 17 LEU HA 1 18 GLU QB 4.580 . 4.580 3.976 3.806 4.228 . 0 0 "[ . 1 . 2]" 1
308 1 17 LEU HA 1 19 SER H 4.330 . 4.330 3.987 3.621 4.323 . 0 0 "[ . 1 . 2]" 1
309 1 17 LEU HA 1 23 GLY H 4.590 . 4.590 4.531 4.364 4.609 0.019 9 0 "[ . 1 . 2]" 1
310 1 17 LEU HA 1 24 TRP H 4.890 . 4.890 4.025 3.566 4.274 . 0 0 "[ . 1 . 2]" 1
311 1 17 LEU HA 1 24 TRP HA 2.960 . 2.960 2.201 2.015 2.396 . 0 0 "[ . 1 . 2]" 1
312 1 17 LEU HA 1 24 TRP HB3 5.150 . 5.150 4.577 4.401 4.790 . 0 0 "[ . 1 . 2]" 1
313 1 17 LEU HA 1 24 TRP HE3 4.410 . 4.410 4.152 4.076 4.265 . 0 0 "[ . 1 . 2]" 1
314 1 17 LEU HA 1 24 TRP HZ3 5.380 . 5.380 5.393 5.282 5.439 0.059 12 0 "[ . 1 . 2]" 1
315 1 17 LEU HA 1 25 VAL H 3.870 . 3.870 3.011 2.779 3.404 . 0 0 "[ . 1 . 2]" 1
316 1 17 LEU HA 1 25 VAL QG 5.480 . 5.480 3.397 3.156 3.832 . 0 0 "[ . 1 . 2]" 1
317 1 17 LEU HA 1 54 GLN QG 5.160 . 5.160 5.750 4.664 6.349 1.189 4 12 "[***+* **1 * ** -*]" 1
318 1 17 LEU HB2 1 24 TRP HE3 5.220 . 5.220 3.558 3.289 3.684 . 0 0 "[ . 1 . 2]" 1
319 1 17 LEU HB2 1 24 TRP HH2 4.820 . 4.820 4.527 4.202 4.685 . 0 0 "[ . 1 . 2]" 1
320 1 17 LEU HB2 1 24 TRP HZ2 5.190 . 5.190 4.119 3.778 4.297 . 0 0 "[ . 1 . 2]" 1
321 1 17 LEU HB3 1 18 GLU H 4.630 . 4.630 4.460 4.373 4.527 . 0 0 "[ . 1 . 2]" 1
322 1 17 LEU HB3 1 24 TRP H 5.420 . 5.420 5.508 5.486 5.544 0.124 14 0 "[ . 1 . 2]" 1
323 1 17 LEU HB3 1 24 TRP HE3 4.530 . 4.530 4.535 4.279 4.612 0.082 1 0 "[ . 1 . 2]" 1
324 1 17 LEU HB3 1 24 TRP HH2 4.600 . 4.600 4.334 4.079 4.483 . 0 0 "[ . 1 . 2]" 1
325 1 17 LEU HB3 1 24 TRP HZ2 4.430 . 4.430 4.348 4.100 4.465 0.035 13 0 "[ . 1 . 2]" 1
326 1 17 LEU HB3 1 24 TRP HZ3 4.640 . 4.640 4.423 4.097 4.554 . 0 0 "[ . 1 . 2]" 1
327 1 17 LEU HB3 1 54 GLN QB 5.500 . 5.500 3.670 2.636 4.987 . 0 0 "[ . 1 . 2]" 1
328 1 17 LEU HB3 1 54 GLN QG 4.820 . 4.820 3.602 3.064 4.274 . 0 0 "[ . 1 . 2]" 1
329 1 17 LEU QD 1 18 GLU H . . 4.140 3.533 3.284 3.693 . 0 0 "[ . 1 . 2]" 1
330 1 17 LEU QD 1 19 SER H . . 4.190 3.279 2.961 3.784 . 0 0 "[ . 1 . 2]" 1
331 1 17 LEU QD 1 19 SER HA 4.880 . 4.880 3.436 2.854 4.573 . 0 0 "[ . 1 . 2]" 1
332 1 17 LEU QD 1 20 ALA HA . . 3.640 2.476 2.177 2.984 . 0 0 "[ . 1 . 2]" 1
333 1 17 LEU QD 1 20 ALA MB . . 4.910 3.137 2.770 3.620 . 0 0 "[ . 1 . 2]" 1
334 1 17 LEU QD 1 23 GLY H . . 4.220 3.459 2.944 3.770 . 0 0 "[ . 1 . 2]" 1
335 1 17 LEU QD 1 23 GLY QA . . 3.570 2.477 1.811 2.740 . 0 0 "[ . 1 . 2]" 1
336 1 17 LEU QD 1 24 TRP H 4.300 . 4.300 3.311 2.556 3.648 . 0 0 "[ . 1 . 2]" 1
337 1 17 LEU QD 1 24 TRP HA 4.090 . 4.090 3.788 3.248 4.019 . 0 0 "[ . 1 . 2]" 1
338 1 17 LEU QD 1 24 TRP HB3 5.500 . 5.500 4.882 4.496 5.108 . 0 0 "[ . 1 . 2]" 1
339 1 17 LEU QD 1 24 TRP HD1 . . 4.000 3.187 2.930 3.395 . 0 0 "[ . 1 . 2]" 1
340 1 17 LEU QD 1 24 TRP HE1 . . 3.970 2.763 2.618 2.960 . 0 0 "[ . 1 . 2]" 1
341 1 17 LEU QD 1 24 TRP HE3 5.370 . 5.370 4.696 4.460 4.852 . 0 0 "[ . 1 . 2]" 1
342 1 17 LEU QD 1 24 TRP HH2 5.040 . 5.040 4.495 4.130 4.653 . 0 0 "[ . 1 . 2]" 1
343 1 17 LEU QD 1 24 TRP HZ2 3.890 . 3.890 3.461 3.121 3.659 . 0 0 "[ . 1 . 2]" 1
344 1 17 LEU QD 1 24 TRP HZ3 5.500 . 5.500 5.011 4.769 5.145 . 0 0 "[ . 1 . 2]" 1
345 1 17 LEU QD 1 25 VAL H 5.500 . 5.500 5.033 4.579 5.193 . 0 0 "[ . 1 . 2]" 1
346 1 17 LEU QD 1 54 GLN HA 4.850 . 4.850 3.974 3.092 4.586 . 0 0 "[ . 1 . 2]" 1
347 1 17 LEU QD 1 54 GLN QE 5.430 . 5.430 3.358 2.913 4.079 . 0 0 "[ . 1 . 2]" 1
348 1 17 LEU QD 1 54 GLN QG 4.610 . 4.610 3.299 2.543 3.777 . 0 0 "[ . 1 . 2]" 1
349 1 17 LEU HG 1 18 GLU H 4.720 . 4.720 3.863 3.414 4.091 . 0 0 "[ . 1 . 2]" 1
350 1 17 LEU HG 1 19 SER H 4.020 . 4.020 3.981 3.813 4.049 0.029 10 0 "[ . 1 . 2]" 1
351 1 17 LEU HG 1 19 SER HA 5.360 . 5.360 5.107 3.924 5.370 0.010 1 0 "[ . 1 . 2]" 1
352 1 17 LEU HG 1 20 ALA HA 4.980 . 4.980 3.815 3.474 4.148 . 0 0 "[ . 1 . 2]" 1
353 1 17 LEU HG 1 23 GLY QA 3.980 . 3.980 2.476 2.057 3.968 . 0 0 "[ . 1 . 2]" 1
354 1 18 GLU H 1 18 GLU QB 3.020 . 3.020 2.222 2.127 2.343 . 0 0 "[ . 1 . 2]" 1
355 1 18 GLU H 1 18 GLU HG2 4.780 . 4.780 4.385 4.297 4.512 . 0 0 "[ . 1 . 2]" 1
356 1 18 GLU H 1 18 GLU HG3 4.690 . 4.690 4.496 4.422 4.593 . 0 0 "[ . 1 . 2]" 1
357 1 18 GLU H 1 19 SER H 3.170 . 3.170 2.709 2.570 2.835 . 0 0 "[ . 1 . 2]" 1
358 1 18 GLU H 1 22 LEU QD 5.500 . 5.500 4.608 4.012 5.296 . 0 0 "[ . 1 . 2]" 1
359 1 18 GLU H 1 24 TRP HA 3.970 . 3.970 3.792 3.467 4.050 0.080 11 0 "[ . 1 . 2]" 1
360 1 18 GLU H 1 25 VAL H 4.580 . 4.580 3.425 3.057 3.948 . 0 0 "[ . 1 . 2]" 1
361 1 18 GLU H 1 25 VAL QG 4.410 . 4.410 2.688 2.388 3.464 . 0 0 "[ . 1 . 2]" 1
362 1 18 GLU HA 1 18 GLU QB 2.700 . 2.700 2.339 2.306 2.395 . 0 0 "[ . 1 . 2]" 1
363 1 18 GLU HA 1 18 GLU HG2 3.680 . 3.680 3.110 2.852 3.438 . 0 0 "[ . 1 . 2]" 1
364 1 18 GLU HA 1 18 GLU HG3 3.180 . 3.180 2.678 2.536 2.791 . 0 0 "[ . 1 . 2]" 1
365 1 18 GLU HA 1 22 LEU QD 5.060 . 5.060 5.263 4.708 6.146 1.086 9 2 "[ -. +1 . 2]" 1
366 1 18 GLU HA 1 25 VAL QG 4.570 . 4.570 4.311 3.687 5.618 1.048 10 1 "[ . + . 2]" 1
367 1 18 GLU HA 1 48 PHE QE 3.900 . 3.900 2.871 2.415 3.274 . 0 0 "[ . 1 . 2]" 1
368 1 18 GLU HA 1 48 PHE HZ 4.160 . 4.160 3.745 2.742 4.225 0.065 18 0 "[ . 1 . 2]" 1
369 1 18 GLU HA 1 54 GLN QE 4.270 . 4.270 3.140 2.316 3.700 . 0 0 "[ . 1 . 2]" 1
370 1 18 GLU QB 1 22 LEU QD 4.510 . 4.510 2.827 2.151 3.601 . 0 0 "[ . 1 . 2]" 1
371 1 18 GLU QB 1 25 VAL H 5.500 . 5.500 4.371 3.756 5.048 . 0 0 "[ . 1 . 2]" 1
372 1 18 GLU QB 1 25 VAL QG 3.870 . 3.870 2.517 1.891 3.663 . 0 0 "[ . 1 . 2]" 1
373 1 18 GLU QB 1 48 PHE QE 4.340 . 4.340 3.068 2.586 3.455 . 0 0 "[ . 1 . 2]" 1
374 1 18 GLU QB 1 48 PHE HZ 4.510 . 4.510 2.594 2.293 2.952 . 0 0 "[ . 1 . 2]" 1
375 1 18 GLU HG2 1 19 SER H 3.560 . 3.560 3.268 2.908 3.575 0.015 2 0 "[ . 1 . 2]" 1
376 1 18 GLU HG2 1 19 SER HB3 4.890 . 4.890 4.361 3.839 4.492 . 0 0 "[ . 1 . 2]" 1
377 1 18 GLU HG2 1 22 LEU QD 3.660 . 3.660 3.434 2.793 4.347 0.687 9 1 "[ . +1 . 2]" 1
378 1 18 GLU HG3 1 19 SER H 4.590 . 4.590 4.378 4.126 4.611 0.021 2 0 "[ . 1 . 2]" 1
379 1 18 GLU HG3 1 19 SER HB2 4.890 . 4.890 4.912 4.433 5.006 0.116 16 0 "[ . 1 . 2]" 1
380 1 19 SER H 1 19 SER HB2 3.860 . 3.860 2.715 2.314 3.133 . 0 0 "[ . 1 . 2]" 1
381 1 19 SER H 1 19 SER HB3 4.060 . 4.060 3.545 2.582 3.875 . 0 0 "[ . 1 . 2]" 1
382 1 19 SER H 1 22 LEU QD 5.060 . 5.060 3.370 2.753 4.423 . 0 0 "[ . 1 . 2]" 1
383 1 19 SER H 1 23 GLY H 4.420 . 4.420 3.291 3.063 3.525 . 0 0 "[ . 1 . 2]" 1
384 1 19 SER H 1 25 VAL QG 5.240 . 5.240 3.937 3.500 4.501 . 0 0 "[ . 1 . 2]" 1
385 1 19 SER HA 1 19 SER HB3 2.930 . 2.930 2.644 2.531 2.996 0.066 14 0 "[ . 1 . 2]" 1
386 1 19 SER HA 1 20 ALA MB 5.130 . 5.130 4.044 4.001 4.099 . 0 0 "[ . 1 . 2]" 1
387 1 19 SER HA 1 21 ALA MB 5.500 . 5.500 5.256 5.016 5.562 0.062 6 0 "[ . 1 . 2]" 1
388 1 19 SER HB2 1 21 ALA H 4.810 . 4.810 3.777 3.350 4.570 . 0 0 "[ . 1 . 2]" 1
389 1 19 SER HB2 1 21 ALA MB 4.730 . 4.730 4.060 3.512 4.423 . 0 0 "[ . 1 . 2]" 1
390 1 19 SER HB2 1 22 LEU H 3.970 . 3.970 3.763 3.491 4.045 0.075 11 0 "[ . 1 . 2]" 1
391 1 19 SER HB2 1 22 LEU HB2 3.960 . 3.960 3.204 2.628 3.984 0.024 9 0 "[ . 1 . 2]" 1
392 1 19 SER HB3 1 21 ALA H 5.250 . 5.250 2.996 2.649 4.704 . 0 0 "[ . 1 . 2]" 1
393 1 19 SER HB3 1 22 LEU H 4.340 . 4.340 3.740 2.313 4.366 0.026 9 0 "[ . 1 . 2]" 1
394 1 19 SER HB3 1 22 LEU QD 4.630 . 4.630 3.639 2.507 5.146 0.516 9 1 "[ . +1 . 2]" 1
395 1 19 SER HB3 1 22 LEU HG 5.500 . 5.500 3.576 2.110 5.349 . 0 0 "[ . 1 . 2]" 1
396 1 20 ALA HA 1 22 LEU H 5.080 . 5.080 3.626 3.437 3.901 . 0 0 "[ . 1 . 2]" 1
397 1 20 ALA HA 1 23 GLY H 4.220 . 4.220 3.550 3.385 3.714 . 0 0 "[ . 1 . 2]" 1
398 1 20 ALA MB 1 21 ALA H 3.790 . 3.790 3.007 2.878 3.543 . 0 0 "[ . 1 . 2]" 1
399 1 20 ALA MB 1 21 ALA HA 4.910 . 4.910 4.010 3.936 4.405 . 0 0 "[ . 1 . 2]" 1
400 1 21 ALA H 1 21 ALA MB 3.560 . 3.560 2.349 2.275 2.932 . 0 0 "[ . 1 . 2]" 1
401 1 21 ALA H 1 22 LEU H 3.970 . 3.970 2.408 1.926 2.561 . 0 0 "[ . 1 . 2]" 1
402 1 21 ALA H 1 23 GLY H 5.500 . 5.500 3.919 2.529 4.216 . 0 0 "[ . 1 . 2]" 1
403 1 21 ALA MB 1 22 LEU H 3.650 . 3.650 3.199 2.343 3.405 . 0 0 "[ . 1 . 2]" 1
404 1 21 ALA MB 1 22 LEU HA 4.660 . 4.660 4.151 3.915 4.243 . 0 0 "[ . 1 . 2]" 1
405 1 21 ALA MB 1 22 LEU QD 3.680 . 3.680 3.360 3.240 3.447 . 0 0 "[ . 1 . 2]" 1
406 1 21 ALA MB 1 23 GLY H 5.100 . 5.100 4.883 4.288 5.074 . 0 0 "[ . 1 . 2]" 1
407 1 22 LEU H 1 22 LEU HB2 3.130 . 3.130 2.636 2.470 2.717 . 0 0 "[ . 1 . 2]" 1
408 1 22 LEU H 1 22 LEU HB3 3.910 . 3.910 3.766 3.639 3.818 . 0 0 "[ . 1 . 2]" 1
409 1 22 LEU H 1 22 LEU QD 4.420 . 4.420 3.503 3.259 3.608 . 0 0 "[ . 1 . 2]" 1
410 1 22 LEU H 1 22 LEU HG 3.590 . 3.590 3.059 2.624 3.235 . 0 0 "[ . 1 . 2]" 1
411 1 22 LEU H 1 23 GLY H 3.110 . 3.110 2.035 1.935 2.258 . 0 0 "[ . 1 . 2]" 1
412 1 22 LEU H 1 23 GLY QA 5.200 . 5.200 3.784 3.633 4.102 . 0 0 "[ . 1 . 2]" 1
413 1 22 LEU HA 1 22 LEU HB3 2.970 . 2.970 2.483 2.468 2.494 . 0 0 "[ . 1 . 2]" 1
414 1 22 LEU HA 1 22 LEU QD 3.010 . 3.010 2.081 2.049 2.098 . 0 0 "[ . 1 . 2]" 1
415 1 22 LEU HA 1 22 LEU HG 3.610 . 3.610 3.157 3.103 3.199 . 0 0 "[ . 1 . 2]" 1
416 1 22 LEU HB2 1 22 LEU QD 3.200 . 3.200 2.274 2.238 2.300 . 0 0 "[ . 1 . 2]" 1
417 1 22 LEU HB2 1 22 LEU HG 2.600 . 2.600 2.462 2.427 2.481 . 0 0 "[ . 1 . 2]" 1
418 1 22 LEU HB2 1 23 GLY H 3.940 . 3.940 2.503 2.286 2.816 . 0 0 "[ . 1 . 2]" 1
419 1 22 LEU HB2 1 25 VAL QG 5.120 . 5.120 3.274 2.888 3.753 . 0 0 "[ . 1 . 2]" 1
420 1 22 LEU HB3 1 23 GLY H 4.000 . 4.000 3.550 3.345 3.794 . 0 0 "[ . 1 . 2]" 1
421 1 22 LEU QD 1 23 GLY H 5.250 . 5.250 4.030 3.903 4.189 . 0 0 "[ . 1 . 2]" 1
422 1 23 GLY H 1 24 TRP H 4.530 . 4.530 4.464 4.406 4.526 . 0 0 "[ . 1 . 2]" 1
423 1 23 GLY QA 1 24 TRP H 2.960 . 2.960 2.154 2.067 2.225 . 0 0 "[ . 1 . 2]" 1
424 1 23 GLY QA 1 24 TRP HD1 4.220 . 4.220 3.746 3.549 3.814 . 0 0 "[ . 1 . 2]" 1
425 1 24 TRP H 1 24 TRP HB2 3.120 . 3.120 2.428 2.381 2.490 . 0 0 "[ . 1 . 2]" 1
426 1 24 TRP H 1 24 TRP HB3 3.640 . 3.640 3.556 3.523 3.597 . 0 0 "[ . 1 . 2]" 1
427 1 24 TRP H 1 24 TRP HD1 3.060 . 3.060 2.478 2.362 2.570 . 0 0 "[ . 1 . 2]" 1
428 1 24 TRP H 1 24 TRP HE1 5.240 . 5.240 4.595 4.439 4.741 . 0 0 "[ . 1 . 2]" 1
429 1 24 TRP H 1 25 VAL H 4.680 . 4.680 4.330 4.259 4.394 . 0 0 "[ . 1 . 2]" 1
430 1 24 TRP H 1 25 VAL QG 4.090 . 4.090 4.355 4.176 4.618 0.528 3 1 "[ + . 1 . 2]" 1
431 1 24 TRP HA 1 24 TRP HE3 3.650 . 3.650 3.021 2.944 3.124 . 0 0 "[ . 1 . 2]" 1
432 1 24 TRP HA 1 25 VAL H 2.800 . 2.800 2.121 2.075 2.153 . 0 0 "[ . 1 . 2]" 1
433 1 24 TRP HA 1 25 VAL QG 4.900 . 4.900 3.439 3.339 3.556 . 0 0 "[ . 1 . 2]" 1
434 1 24 TRP HB2 1 24 TRP HD1 3.280 . 3.280 2.662 2.642 2.684 . 0 0 "[ . 1 . 2]" 1
435 1 24 TRP HB2 1 24 TRP HE3 4.070 . 4.070 4.068 4.044 4.085 0.015 13 0 "[ . 1 . 2]" 1
436 1 24 TRP HB2 1 25 VAL H 4.420 . 4.420 4.354 4.272 4.407 . 0 0 "[ . 1 . 2]" 1
437 1 24 TRP HB3 1 24 TRP HD1 3.870 . 3.870 3.810 3.796 3.823 . 0 0 "[ . 1 . 2]" 1
438 1 24 TRP HB3 1 24 TRP HE3 3.340 . 3.340 2.532 2.499 2.556 . 0 0 "[ . 1 . 2]" 1
439 1 24 TRP HB3 1 25 VAL H 3.910 . 3.910 3.634 3.487 3.739 . 0 0 "[ . 1 . 2]" 1
440 1 24 TRP HE3 1 25 VAL H 4.250 . 4.250 4.187 4.033 4.273 0.023 18 0 "[ . 1 . 2]" 1
441 1 24 TRP HE3 1 55 VAL HA 4.290 . 4.290 4.218 3.771 4.353 0.063 19 0 "[ . 1 . 2]" 1
442 1 24 TRP HE3 1 56 ARG H 4.540 . 4.540 4.018 3.751 4.300 . 0 0 "[ . 1 . 2]" 1
443 1 24 TRP HH2 1 54 GLN HA 3.860 . 3.860 3.311 2.887 3.670 . 0 0 "[ . 1 . 2]" 1
444 1 24 TRP HH2 1 54 GLN QG 5.500 . 5.500 5.241 4.808 5.639 0.139 12 0 "[ . 1 . 2]" 1
445 1 24 TRP HH2 1 55 VAL HA 4.540 . 4.540 4.344 3.899 4.578 0.038 19 0 "[ . 1 . 2]" 1
446 1 24 TRP HH2 1 55 VAL QG 5.500 . 5.500 5.076 4.752 5.285 . 0 0 "[ . 1 . 2]" 1
447 1 24 TRP HH2 1 56 ARG H 4.900 . 4.900 4.571 4.331 4.874 . 0 0 "[ . 1 . 2]" 1
448 1 24 TRP HH2 1 56 ARG HD2 5.370 . 5.370 4.247 3.111 4.892 . 0 0 "[ . 1 . 2]" 1
449 1 24 TRP HH2 1 56 ARG HD3 4.770 . 4.770 3.601 3.072 4.013 . 0 0 "[ . 1 . 2]" 1
450 1 24 TRP HH2 1 56 ARG HG2 4.440 . 4.440 2.494 2.104 2.879 . 0 0 "[ . 1 . 2]" 1
451 1 24 TRP HH2 1 56 ARG HG3 4.060 . 4.060 2.702 2.081 3.179 . 0 0 "[ . 1 . 2]" 1
452 1 24 TRP HZ2 1 56 ARG HD3 4.790 . 4.790 4.793 4.287 4.928 0.138 13 0 "[ . 1 . 2]" 1
453 1 24 TRP HZ3 1 54 GLN HA 4.680 . 4.680 4.014 3.495 4.300 . 0 0 "[ . 1 . 2]" 1
454 1 24 TRP HZ3 1 54 GLN QG 5.500 . 5.500 5.724 4.732 6.107 0.607 20 3 "[ *. 1 - . +]" 1
455 1 24 TRP HZ3 1 55 VAL H 4.220 . 4.220 3.934 3.584 4.193 . 0 0 "[ . 1 . 2]" 1
456 1 24 TRP HZ3 1 55 VAL HA 3.650 . 3.650 2.546 2.014 2.796 . 0 0 "[ . 1 . 2]" 1
457 1 24 TRP HZ3 1 56 ARG H 3.900 . 3.900 2.699 2.396 3.009 . 0 0 "[ . 1 . 2]" 1
458 1 24 TRP HZ3 1 56 ARG HD2 5.500 . 5.500 4.816 4.304 5.351 . 0 0 "[ . 1 . 2]" 1
459 1 24 TRP HZ3 1 56 ARG HD3 5.070 . 5.070 4.870 4.354 5.111 0.041 13 0 "[ . 1 . 2]" 1
460 1 24 TRP HZ3 1 56 ARG HG2 4.780 . 4.780 2.615 2.188 3.158 . 0 0 "[ . 1 . 2]" 1
461 1 24 TRP HZ3 1 56 ARG HG3 4.230 . 4.230 3.240 2.855 3.732 . 0 0 "[ . 1 . 2]" 1
462 1 25 VAL H 1 25 VAL HB 3.790 . 3.790 3.613 2.825 3.773 . 0 0 "[ . 1 . 2]" 1
463 1 25 VAL H 1 25 VAL QG 3.310 . 3.310 2.043 1.926 2.331 . 0 0 "[ . 1 . 2]" 1
464 1 25 VAL H 1 26 ARG H 4.600 . 4.600 4.457 4.350 4.531 . 0 0 "[ . 1 . 2]" 1
465 1 25 VAL HA 1 25 VAL QG 3.270 . 3.270 2.301 2.180 2.371 . 0 0 "[ . 1 . 2]" 1
466 1 25 VAL HA 1 26 ARG H 2.620 . 2.620 2.378 2.191 2.624 0.004 1 0 "[ . 1 . 2]" 1
467 1 25 VAL HA 1 43 ASP QB 5.500 . 5.500 6.694 5.572 8.463 2.963 9 15 "[*** *** +** * ****-2]" 1
468 1 25 VAL HB 1 26 ARG H 3.090 . 3.090 2.676 2.189 3.164 0.074 9 0 "[ . 1 . 2]" 1
469 1 25 VAL HB 1 42 SER HB3 4.570 . 4.570 4.163 2.704 4.679 0.109 3 0 "[ . 1 . 2]" 1
470 1 25 VAL QG 1 26 ARG H 3.810 . 3.810 3.014 1.787 3.414 . 0 0 "[ . 1 . 2]" 1
471 1 25 VAL QG 1 26 ARG QB 5.500 . 5.500 4.198 3.032 4.831 . 0 0 "[ . 1 . 2]" 1
472 1 25 VAL QG 1 27 ALA H 5.500 . 5.500 4.574 4.064 5.079 . 0 0 "[ . 1 . 2]" 1
473 1 25 VAL QG 1 27 ALA HA 5.100 . 5.100 4.490 3.946 4.959 . 0 0 "[ . 1 . 2]" 1
474 1 25 VAL QG 1 42 SER H 5.500 . 5.500 4.839 4.457 5.432 . 0 0 "[ . 1 . 2]" 1
475 1 25 VAL QG 1 42 SER HA 4.900 . 4.900 3.942 3.306 4.378 . 0 0 "[ . 1 . 2]" 1
476 1 25 VAL QG 1 42 SER HB2 4.230 . 4.230 3.204 2.439 3.965 . 0 0 "[ . 1 . 2]" 1
477 1 25 VAL QG 1 42 SER HB3 4.290 . 4.290 3.274 2.618 3.842 . 0 0 "[ . 1 . 2]" 1
478 1 25 VAL QG 1 43 ASP H 5.130 . 5.130 4.227 3.566 4.659 . 0 0 "[ . 1 . 2]" 1
479 1 25 VAL QG 1 43 ASP QB 5.240 . 5.240 5.055 3.976 5.982 0.742 15 1 "[ . 1 + 2]" 1
480 1 25 VAL QG 1 44 GLN QE 4.540 . 4.540 3.124 1.692 6.366 1.826 7 3 "[ . + 1-* . 2]" 1
481 1 25 VAL QG 1 44 GLN QG 5.280 . 5.280 4.047 3.303 5.095 . 0 0 "[ . 1 . 2]" 1
482 1 25 VAL QG 1 48 PHE QE 4.250 . 4.250 3.457 2.280 4.657 0.407 8 0 "[ . 1 . 2]" 1
483 1 25 VAL QG 1 48 PHE HZ 4.080 . 4.080 3.064 2.226 4.464 0.384 10 0 "[ . 1 . 2]" 1
484 1 26 ARG H 1 26 ARG QB . . 3.090 2.332 2.146 2.846 . 0 0 "[ . 1 . 2]" 1
485 1 26 ARG H 1 26 ARG QD 5.140 . 5.140 4.379 2.111 4.837 . 0 0 "[ . 1 . 2]" 1
486 1 26 ARG H 1 27 ALA H 4.570 . 4.570 4.469 4.314 4.587 0.017 14 0 "[ . 1 . 2]" 1
487 1 26 ARG H 1 42 SER HA 5.500 . 5.500 5.293 4.751 5.532 0.032 1 0 "[ . 1 . 2]" 1
488 1 26 ARG HA 1 26 ARG QD 4.380 . 4.380 3.907 2.082 4.262 . 0 0 "[ . 1 . 2]" 1
489 1 26 ARG HA 1 26 ARG QG 3.520 . 3.520 2.605 2.381 3.595 0.075 17 0 "[ . 1 . 2]" 1
490 1 26 ARG HA 1 27 ALA H 2.610 . 2.610 2.138 2.009 2.207 . 0 0 "[ . 1 . 2]" 1
491 1 26 ARG QB 1 26 ARG QD 3.240 . 3.240 2.331 2.060 2.838 . 0 0 "[ . 1 . 2]" 1
492 1 26 ARG QB 1 27 ALA H 4.080 . 4.080 3.601 2.971 3.718 . 0 0 "[ . 1 . 2]" 1
493 1 26 ARG QB 1 43 ASP QB . . 4.500 3.761 2.056 5.443 0.943 1 2 "[+ . 1- . 2]" 1
494 1 26 ARG QD 1 27 ALA H 4.760 . 4.760 4.379 2.575 5.450 0.690 11 2 "[ . 1+ . - 2]" 1
495 1 26 ARG QG 1 27 ALA H 3.640 . 3.640 2.868 2.388 4.471 0.831 17 2 "[ . 1- . + 2]" 1
496 1 27 ALA H 1 27 ALA MB 3.320 . 3.320 2.606 2.362 2.748 . 0 0 "[ . 1 . 2]" 1
497 1 27 ALA H 1 28 ARG H 4.680 . 4.680 4.309 4.240 4.414 . 0 0 "[ . 1 . 2]" 1
498 1 27 ALA HA 1 28 ARG H 2.970 . 2.970 2.312 2.114 2.507 . 0 0 "[ . 1 . 2]" 1
499 1 27 ALA HA 1 28 ARG HA 5.160 . 5.160 4.406 4.334 4.497 . 0 0 "[ . 1 . 2]" 1
500 1 27 ALA HA 1 40 VAL HB 4.680 . 4.680 4.473 3.859 4.723 0.043 8 0 "[ . 1 . 2]" 1
501 1 27 ALA HA 1 40 VAL QG 5.500 . 5.500 4.592 4.087 4.887 . 0 0 "[ . 1 . 2]" 1
502 1 27 ALA HA 1 41 GLN H 5.490 . 5.490 4.456 4.098 4.751 . 0 0 "[ . 1 . 2]" 1
503 1 27 ALA HA 1 42 SER H 5.230 . 5.230 4.367 3.856 4.666 . 0 0 "[ . 1 . 2]" 1
504 1 27 ALA HA 1 42 SER HA 2.500 . 2.500 1.977 1.813 2.310 . 0 0 "[ . 1 . 2]" 1
505 1 27 ALA HA 1 43 ASP H 4.180 . 4.180 3.510 2.520 4.040 . 0 0 "[ . 1 . 2]" 1
506 1 27 ALA MB 1 28 ARG H 3.190 . 3.190 2.348 1.995 2.867 . 0 0 "[ . 1 . 2]" 1
507 1 27 ALA MB 1 28 ARG HA 4.320 . 4.320 3.986 3.750 4.191 . 0 0 "[ . 1 . 2]" 1
508 1 27 ALA MB 1 29 VAL H 5.270 . 5.270 4.740 4.441 4.984 . 0 0 "[ . 1 . 2]" 1
509 1 27 ALA MB 1 40 VAL HA 4.400 . 4.400 4.048 3.720 4.392 . 0 0 "[ . 1 . 2]" 1
510 1 27 ALA MB 1 40 VAL HB 3.100 . 3.100 2.167 1.911 2.425 . 0 0 "[ . 1 . 2]" 1
511 1 27 ALA MB 1 40 VAL QG 3.590 . 3.590 2.545 2.282 2.785 . 0 0 "[ . 1 . 2]" 1
512 1 27 ALA MB 1 41 GLN H 3.740 . 3.740 3.174 2.867 3.855 0.115 4 0 "[ . 1 . 2]" 1
513 1 27 ALA MB 1 42 SER H 4.750 . 4.750 3.663 3.233 4.255 . 0 0 "[ . 1 . 2]" 1
514 1 27 ALA MB 1 42 SER HA 3.200 . 3.200 2.598 2.073 3.437 0.237 9 0 "[ . 1 . 2]" 1
515 1 27 ALA MB 1 42 SER HB2 4.350 . 4.350 3.626 2.561 4.864 0.514 9 1 "[ . +1 . 2]" 1
516 1 27 ALA MB 1 43 ASP H 5.110 . 5.110 4.334 3.669 5.237 0.127 9 0 "[ . 1 . 2]" 1
517 1 27 ALA MB 1 48 PHE QE 4.350 . 4.350 3.730 3.187 4.405 0.055 4 0 "[ . 1 . 2]" 1
518 1 27 ALA MB 1 48 PHE HZ 4.790 . 4.790 3.521 2.350 4.282 . 0 0 "[ . 1 . 2]" 1
519 1 28 ARG H 1 28 ARG QB 3.280 . 3.280 2.605 2.271 3.156 . 0 0 "[ . 1 . 2]" 1
520 1 28 ARG H 1 28 ARG QD 4.880 . 4.880 4.084 1.951 5.116 0.236 15 0 "[ . 1 . 2]" 1
521 1 28 ARG H 1 29 VAL H 4.570 . 4.570 4.249 4.119 4.367 . 0 0 "[ . 1 . 2]" 1
522 1 28 ARG H 1 40 VAL HA 4.310 . 4.310 4.269 3.929 4.386 0.076 7 0 "[ . 1 . 2]" 1
523 1 28 ARG H 1 40 VAL HB 3.490 . 3.490 3.393 3.102 3.530 0.040 11 0 "[ . 1 . 2]" 1
524 1 28 ARG H 1 40 VAL QG . . 5.170 4.026 3.811 4.131 . 0 0 "[ . 1 . 2]" 1
525 1 28 ARG H 1 41 GLN H 3.480 . 3.480 2.654 2.476 2.895 . 0 0 "[ . 1 . 2]" 1
526 1 28 ARG H 1 41 GLN HB2 4.910 . 4.910 5.099 4.890 5.243 0.333 4 0 "[ . 1 . 2]" 1
527 1 28 ARG H 1 41 GLN HB3 5.160 . 5.160 3.849 3.506 4.156 . 0 0 "[ . 1 . 2]" 1
528 1 28 ARG H 1 41 GLN QG 5.500 . 5.500 4.772 4.485 5.142 . 0 0 "[ . 1 . 2]" 1
529 1 28 ARG H 1 42 SER H 5.460 . 5.460 4.643 4.092 4.951 . 0 0 "[ . 1 . 2]" 1
530 1 28 ARG HA 1 28 ARG QD 4.570 . 4.570 3.698 1.993 4.557 . 0 0 "[ . 1 . 2]" 1
531 1 28 ARG HA 1 28 ARG QG 3.480 . 3.480 2.815 2.370 3.555 0.075 14 0 "[ . 1 . 2]" 1
532 1 28 ARG HA 1 29 VAL H 2.670 . 2.670 2.118 2.063 2.193 . 0 0 "[ . 1 . 2]" 1
533 1 28 ARG HA 1 29 VAL HA 4.900 . 4.900 4.370 4.252 4.478 . 0 0 "[ . 1 . 2]" 1
534 1 28 ARG HA 1 29 VAL HB 4.610 . 4.610 4.646 4.612 4.678 0.068 8 0 "[ . 1 . 2]" 1
535 1 28 ARG HA 1 29 VAL QG 4.180 . 4.180 3.517 3.369 3.691 . 0 0 "[ . 1 . 2]" 1
536 1 28 ARG HA 1 30 ILE MD 4.600 . 4.600 5.192 3.993 6.786 2.186 10 8 "[ ** * + ***- 2]" 1
537 1 28 ARG QB 1 28 ARG QD 3.180 . 3.180 2.357 2.078 2.773 . 0 0 "[ . 1 . 2]" 1
538 1 28 ARG QB 1 28 ARG QG 2.400 . 2.400 2.054 1.998 2.092 . 0 0 "[ . 1 . 2]" 1
539 1 28 ARG QB 1 29 VAL H 3.770 . 3.770 3.326 2.832 3.791 0.021 9 0 "[ . 1 . 2]" 1
540 1 28 ARG QB 1 30 ILE MD 3.740 . 3.740 3.244 1.930 4.691 0.951 8 3 "[ . + - .* 2]" 1
541 1 28 ARG QB 1 41 GLN H 4.360 . 4.360 3.699 2.987 4.714 0.354 14 0 "[ . 1 . 2]" 1
542 1 28 ARG QB 1 41 GLN QG 4.370 . 4.370 4.996 4.113 6.083 1.713 18 10 "[ * * * 1* ****-+ 2]" 1
543 1 28 ARG QD 1 29 VAL H 5.150 . 5.150 4.842 3.350 5.709 0.559 10 2 "[ . + - . 2]" 1
544 1 28 ARG QD 1 30 ILE MD 4.330 . 4.330 3.838 2.137 6.768 2.438 16 3 "[ .* - .+ 2]" 1
545 1 28 ARG QG 1 29 VAL H 3.870 . 3.870 3.736 2.648 4.774 0.904 6 5 "[ .+* * * . -2]" 1
546 1 28 ARG QG 1 29 VAL HB 5.500 . 5.500 5.434 3.698 6.870 1.370 6 7 "[ *-.+* * * . *2]" 1
547 1 29 VAL H 1 29 VAL HB 2.990 . 2.990 2.549 2.484 2.592 . 0 0 "[ . 1 . 2]" 1
548 1 29 VAL H 1 29 VAL QG 3.130 . 3.130 2.080 1.971 2.247 . 0 0 "[ . 1 . 2]" 1
549 1 29 VAL H 1 30 ILE H 5.050 . 5.050 4.371 4.290 4.441 . 0 0 "[ . 1 . 2]" 1
550 1 29 VAL H 1 40 VAL HA 5.050 . 5.050 4.614 4.311 4.946 . 0 0 "[ . 1 . 2]" 1
551 1 29 VAL H 1 40 VAL QG 3.910 . 3.910 3.666 3.289 4.042 0.132 19 0 "[ . 1 . 2]" 1
552 1 29 VAL HA 1 29 VAL QG . . 3.040 2.160 2.139 2.176 . 0 0 "[ . 1 . 2]" 1
553 1 29 VAL HA 1 30 ILE H 2.580 . 2.580 2.043 1.989 2.135 . 0 0 "[ . 1 . 2]" 1
554 1 29 VAL HA 1 30 ILE HA 4.660 . 4.660 4.298 4.167 4.398 . 0 0 "[ . 1 . 2]" 1
555 1 29 VAL HA 1 30 ILE HB 4.820 . 4.820 4.498 4.273 4.687 . 0 0 "[ . 1 . 2]" 1
556 1 29 VAL HA 1 30 ILE MD 4.960 . 4.960 4.592 3.385 5.446 0.486 6 0 "[ . 1 . 2]" 1
557 1 29 VAL HA 1 30 ILE QG 4.370 . 4.370 3.921 3.614 5.304 0.934 19 2 "[- . 1 . +2]" 1
558 1 29 VAL HA 1 31 ARG H 3.680 . 3.680 3.750 3.692 3.815 0.135 8 0 "[ . 1 . 2]" 1
559 1 29 VAL HA 1 40 VAL HA 3.060 . 3.060 2.310 2.096 2.732 . 0 0 "[ . 1 . 2]" 1
560 1 29 VAL HA 1 40 VAL HB 4.030 . 4.030 3.441 3.179 3.711 . 0 0 "[ . 1 . 2]" 1
561 1 29 VAL HA 1 40 VAL QG . . 2.870 1.950 1.887 2.066 . 0 0 "[ . 1 . 2]" 1
562 1 29 VAL HA 1 41 GLN H 3.960 . 3.960 3.794 3.434 3.983 0.023 7 0 "[ . 1 . 2]" 1
563 1 29 VAL HB 1 30 ILE H 5.000 . 5.000 4.212 4.075 4.312 . 0 0 "[ . 1 . 2]" 1
564 1 29 VAL HB 1 31 ARG H 5.080 . 5.080 5.053 4.840 5.134 0.054 20 0 "[ . 1 . 2]" 1
565 1 29 VAL QG 1 30 ILE H . . 3.560 2.876 2.648 3.026 . 0 0 "[ . 1 . 2]" 1
566 1 29 VAL QG 1 30 ILE HA 4.710 . 4.710 3.961 3.842 4.052 . 0 0 "[ . 1 . 2]" 1
567 1 29 VAL QG 1 31 ARG H 3.480 . 3.480 2.803 2.612 2.944 . 0 0 "[ . 1 . 2]" 1
568 1 29 VAL QG 1 31 ARG HA 3.820 . 3.820 3.637 3.332 4.242 0.422 15 0 "[ . 1 . 2]" 1
569 1 29 VAL QG 1 32 VAL H 5.130 . 5.130 4.141 3.619 4.863 . 0 0 "[ . 1 . 2]" 1
570 1 29 VAL QG 1 32 VAL HA 4.250 . 4.250 3.829 3.343 4.633 0.383 15 0 "[ . 1 . 2]" 1
571 1 29 VAL QG 1 32 VAL HB 4.620 . 4.620 4.553 2.871 5.844 1.224 15 6 "[* . *-* + *]" 1
572 1 29 VAL QG 1 38 VAL HB 3.620 . 3.620 4.164 3.008 5.414 1.794 4 12 "[***+.****1 *-* * 2]" 1
573 1 29 VAL QG 1 38 VAL QG 3.120 . 3.120 2.881 2.255 4.050 0.930 11 2 "[ . 1+- . 2]" 1
574 1 29 VAL QG 1 39 VAL H 4.710 . 4.710 3.675 3.363 3.943 . 0 0 "[ . 1 . 2]" 1
575 1 29 VAL QG 1 40 VAL HA 4.780 . 4.780 3.558 3.330 3.925 . 0 0 "[ . 1 . 2]" 1
576 1 30 ILE H 1 30 ILE HB 3.240 . 3.240 2.497 2.285 2.631 . 0 0 "[ . 1 . 2]" 1
577 1 30 ILE H 1 30 ILE MD 4.800 . 4.800 3.562 2.685 4.183 . 0 0 "[ . 1 . 2]" 1
578 1 30 ILE H 1 30 ILE QG 3.370 . 3.370 2.659 2.343 3.851 0.481 1 0 "[ . 1 . 2]" 1
579 1 30 ILE H 1 30 ILE MG 4.390 . 4.390 3.797 3.622 3.874 . 0 0 "[ . 1 . 2]" 1
580 1 30 ILE H 1 31 ARG H 2.870 . 2.870 2.291 2.130 2.474 . 0 0 "[ . 1 . 2]" 1
581 1 30 ILE H 1 31 ARG HA 5.370 . 5.370 4.740 4.612 4.849 . 0 0 "[ . 1 . 2]" 1
582 1 30 ILE H 1 39 VAL H 4.960 . 4.960 4.602 4.374 4.850 . 0 0 "[ . 1 . 2]" 1
583 1 30 ILE H 1 39 VAL HB 4.670 . 4.670 4.136 3.189 4.730 0.060 8 0 "[ . 1 . 2]" 1
584 1 30 ILE H 1 39 VAL QG 3.120 . 3.120 3.477 2.477 4.745 1.625 20 9 "[ *-** 1 **. **+]" 1
585 1 30 ILE H 1 40 VAL H 5.310 . 5.310 4.453 4.270 4.661 . 0 0 "[ . 1 . 2]" 1
586 1 30 ILE H 1 40 VAL HA 3.200 . 3.200 2.247 2.067 2.465 . 0 0 "[ . 1 . 2]" 1
587 1 30 ILE H 1 40 VAL HB 5.030 . 5.030 4.493 4.132 4.738 . 0 0 "[ . 1 . 2]" 1
588 1 30 ILE H 1 40 VAL QG 5.500 . 5.500 3.319 3.096 3.523 . 0 0 "[ . 1 . 2]" 1
589 1 30 ILE H 1 41 GLN H 4.440 . 4.440 3.698 3.396 4.033 . 0 0 "[ . 1 . 2]" 1
590 1 30 ILE HA 1 30 ILE MD 3.090 . 3.090 2.648 2.017 3.863 0.773 16 6 "[ .* * * -+* 2]" 1
591 1 30 ILE HA 1 30 ILE QG 3.600 . 3.600 2.762 2.257 3.058 . 0 0 "[ . 1 . 2]" 1
592 1 30 ILE HA 1 30 ILE MG 3.320 . 3.320 2.475 2.370 2.778 . 0 0 "[ . 1 . 2]" 1
593 1 30 ILE HA 1 31 ARG QB 4.740 . 4.740 4.024 3.668 4.349 . 0 0 "[ . 1 . 2]" 1
594 1 30 ILE HA 1 40 VAL HA 4.770 . 4.770 4.855 4.792 4.932 0.162 1 0 "[ . 1 . 2]" 1
595 1 30 ILE HB 1 31 ARG H 3.030 . 3.030 2.774 2.555 3.041 0.011 19 0 "[ . 1 . 2]" 1
596 1 30 ILE HB 1 39 VAL H 5.380 . 5.380 5.232 4.743 5.532 0.152 15 0 "[ . 1 . 2]" 1
597 1 30 ILE HB 1 40 VAL HA 4.090 . 4.090 3.698 3.090 4.096 0.006 10 0 "[ . 1 . 2]" 1
598 1 30 ILE MD 1 30 ILE MG 3.230 . 3.230 2.100 1.779 3.254 0.024 19 0 "[ . 1 . 2]" 1
599 1 30 ILE MD 1 39 VAL QG 4.110 . 4.110 4.088 2.359 5.554 1.444 20 5 "[ . * 1 * . *-+]" 1
600 1 30 ILE MD 1 40 VAL HA 5.290 . 5.290 4.110 2.902 4.527 . 0 0 "[ . 1 . 2]" 1
601 1 30 ILE MD 1 41 GLN H 4.170 . 4.170 3.398 2.122 3.868 . 0 0 "[ . 1 . 2]" 1
602 1 30 ILE MD 1 41 GLN HA 5.290 . 5.290 4.515 3.923 5.257 . 0 0 "[ . 1 . 2]" 1
603 1 30 ILE MD 1 41 GLN HB2 3.650 . 3.650 2.790 1.909 3.828 0.178 11 0 "[ . 1 . 2]" 1
604 1 30 ILE MD 1 41 GLN HB3 3.700 . 3.700 2.296 1.875 2.821 . 0 0 "[ . 1 . 2]" 1
605 1 30 ILE MD 1 41 GLN HE21 5.280 . 5.280 4.091 2.982 5.236 . 0 0 "[ . 1 . 2]" 1
606 1 30 ILE MD 1 41 GLN HE22 4.990 . 4.990 3.984 3.037 5.050 0.060 3 0 "[ . 1 . 2]" 1
607 1 30 ILE MD 1 41 GLN QG 4.470 . 4.470 3.745 3.123 4.311 . 0 0 "[ . 1 . 2]" 1
608 1 30 ILE MD 1 47 GLU HA 5.500 . 5.500 4.988 3.611 6.101 0.601 11 1 "[ . 1+ . 2]" 1
609 1 30 ILE MD 1 47 GLU QG 4.790 . 4.790 3.912 2.121 5.623 0.833 11 1 "[ . 1+ . 2]" 1
610 1 30 ILE QG 1 39 VAL HB 4.580 . 4.580 4.988 4.302 5.906 1.326 19 7 "[- *. * 1* * * +2]" 1
611 1 30 ILE QG 1 40 VAL HA 3.630 . 3.630 3.022 2.583 4.752 1.122 1 2 "[+ . 1 . -2]" 1
612 1 30 ILE QG 1 40 VAL QG 4.650 . 4.650 4.351 4.005 5.534 0.884 1 2 "[+ . 1 . -2]" 1
613 1 30 ILE QG 1 41 GLN H 4.010 . 4.010 2.690 1.964 4.552 0.542 1 1 "[+ . 1 . 2]" 1
614 1 30 ILE QG 1 41 GLN HA 5.270 . 5.270 4.265 3.782 5.483 0.213 1 0 "[ . 1 . 2]" 1
615 1 30 ILE QG 1 41 GLN HB2 3.460 . 3.460 2.571 2.111 3.688 0.228 15 0 "[ . 1 . 2]" 1
616 1 30 ILE QG 1 41 GLN HB3 4.150 . 4.150 2.643 1.917 3.203 . 0 0 "[ . 1 . 2]" 1
617 1 30 ILE QG 1 41 GLN HE22 5.290 . 5.290 4.716 3.929 6.192 0.902 15 1 "[ . 1 + 2]" 1
618 1 30 ILE QG 1 41 GLN QG 5.070 . 5.070 4.117 3.587 4.836 . 0 0 "[ . 1 . 2]" 1
619 1 30 ILE QG 1 47 GLU HA 5.480 . 5.480 4.635 3.976 5.885 0.405 15 0 "[ . 1 . 2]" 1
620 1 30 ILE QG 1 47 GLU QB 4.670 . 4.670 4.244 3.060 6.152 1.482 15 2 "[ . 1 + - 2]" 1
621 1 30 ILE QG 1 47 GLU QG 5.190 . 5.190 3.379 2.113 5.201 0.011 15 0 "[ . 1 . 2]" 1
622 1 30 ILE MG 1 31 ARG H 3.790 . 3.790 3.479 3.122 3.660 . 0 0 "[ . 1 . 2]" 1
623 1 30 ILE MG 1 31 ARG QG 5.030 . 5.030 3.996 3.466 4.449 . 0 0 "[ . 1 . 2]" 1
624 1 30 ILE MG 1 41 GLN H 5.270 . 5.270 5.252 4.728 5.681 0.411 1 0 "[ . 1 . 2]" 1
625 1 30 ILE MG 1 41 GLN HB2 5.100 . 5.100 4.325 3.609 4.781 . 0 0 "[ . 1 . 2]" 1
626 1 30 ILE MG 1 41 GLN HE22 5.500 . 5.500 5.359 4.361 6.345 0.845 18 3 "[ .* 1 . +-2]" 1
627 1 31 ARG H 1 31 ARG QB 3.280 . 3.280 2.326 2.169 2.648 . 0 0 "[ . 1 . 2]" 1
628 1 31 ARG H 1 31 ARG QG . . 3.820 3.134 2.759 3.629 . 0 0 "[ . 1 . 2]" 1
629 1 31 ARG H 1 32 VAL H 4.410 . 4.410 3.969 3.765 4.082 . 0 0 "[ . 1 . 2]" 1
630 1 31 ARG H 1 39 VAL H 3.500 . 3.500 3.405 3.149 3.558 0.058 4 0 "[ . 1 . 2]" 1
631 1 31 ARG H 1 39 VAL QG 3.760 . 3.760 3.161 2.373 3.933 0.173 20 0 "[ . 1 . 2]" 1
632 1 31 ARG H 1 40 VAL HA 4.230 . 4.230 4.103 3.697 4.279 0.049 1 0 "[ . 1 . 2]" 1
633 1 31 ARG HA 1 31 ARG HD3 5.500 . 5.500 4.081 2.478 4.749 . 0 0 "[ . 1 . 2]" 1
634 1 31 ARG HA 1 32 VAL H 2.700 . 2.700 2.060 1.912 2.194 . 0 0 "[ . 1 . 2]" 1
635 1 31 ARG QB 1 32 VAL H 3.570 . 3.570 3.110 2.664 3.425 . 0 0 "[ . 1 . 2]" 1
636 1 31 ARG QB 1 32 VAL QG 4.180 . 4.180 4.336 3.811 4.575 0.395 3 0 "[ . 1 . 2]" 1
637 1 31 ARG HD2 1 33 LYS H 5.500 . 5.500 5.091 4.046 5.519 0.019 16 0 "[ . 1 . 2]" 1
638 1 31 ARG HD2 1 33 LYS QB 4.380 . 4.380 4.306 4.161 4.426 0.046 5 0 "[ . 1 . 2]" 1
639 1 31 ARG HD2 1 39 VAL QG 4.600 . 4.600 3.133 2.147 5.249 0.649 17 1 "[ . 1 . + 2]" 1
640 1 31 ARG HD3 1 39 VAL QG 5.100 . 5.100 3.985 3.487 5.297 0.197 17 0 "[ . 1 . 2]" 1
641 1 31 ARG QG 1 32 VAL H 4.790 . 4.790 2.636 2.024 3.156 . 0 0 "[ . 1 . 2]" 1
642 1 31 ARG QG 1 32 VAL HA 5.370 . 5.370 3.454 3.203 3.698 . 0 0 "[ . 1 . 2]" 1
643 1 31 ARG QG 1 33 LYS H 3.930 . 3.930 3.436 2.590 3.861 . 0 0 "[ . 1 . 2]" 1
644 1 31 ARG QG 1 33 LYS HD2 3.730 . 3.730 2.692 2.179 3.247 . 0 0 "[ . 1 . 2]" 1
645 1 31 ARG QG 1 33 LYS QE 4.550 . 4.550 3.493 2.213 4.649 0.099 2 0 "[ . 1 . 2]" 1
646 1 31 ARG QG 1 39 VAL H 4.810 . 4.810 3.274 2.344 4.012 . 0 0 "[ . 1 . 2]" 1
647 1 31 ARG QG 1 39 VAL QG 4.230 . 4.230 2.308 1.759 3.265 . 0 0 "[ . 1 . 2]" 1
648 1 32 VAL H 1 32 VAL HB 3.570 . 3.570 3.073 2.602 3.720 0.150 13 0 "[ . 1 . 2]" 1
649 1 32 VAL H 1 32 VAL QG . . 3.050 2.317 1.945 2.775 . 0 0 "[ . 1 . 2]" 1
650 1 32 VAL HA 1 32 VAL QG . . 3.100 2.233 2.104 2.384 . 0 0 "[ . 1 . 2]" 1
651 1 32 VAL HA 1 33 LYS H 2.710 . 2.710 2.085 1.929 2.221 . 0 0 "[ . 1 . 2]" 1
652 1 32 VAL HA 1 33 LYS HD2 5.080 . 5.080 4.974 3.827 5.213 0.133 1 0 "[ . 1 . 2]" 1
653 1 32 VAL HA 1 38 VAL HA 3.340 . 3.340 2.923 2.375 3.480 0.140 4 0 "[ . 1 . 2]" 1
654 1 32 VAL HA 1 38 VAL QG 3.410 . 3.410 2.862 2.127 3.528 0.118 15 0 "[ . 1 . 2]" 1
655 1 32 VAL HA 1 39 VAL H 3.530 . 3.530 3.291 2.863 3.589 0.059 14 0 "[ . 1 . 2]" 1
656 1 32 VAL HB 1 38 VAL QG 3.280 . 3.280 4.342 3.180 5.378 2.098 7 16 "[****.*+***** ** *-*]" 1
657 1 32 VAL QG 1 33 LYS H 3.900 . 3.900 3.120 2.519 3.622 . 0 0 "[ . 1 . 2]" 1
658 1 32 VAL QG 1 38 VAL HA 4.580 . 4.580 3.829 2.964 4.600 0.020 4 0 "[ . 1 . 2]" 1
659 1 32 VAL QG 1 38 VAL HB 4.340 . 4.340 4.755 3.528 5.884 1.544 4 9 "[ *+.-***1 *** 2]" 1
660 1 33 LYS H 1 33 LYS QB 3.330 . 3.330 1.953 1.694 2.195 . 0 0 "[ . 1 . 2]" 1
661 1 33 LYS H 1 33 LYS HD3 4.160 . 4.160 4.269 4.110 4.377 0.217 14 0 "[ . 1 . 2]" 1
662 1 33 LYS H 1 33 LYS QE 5.300 . 5.300 5.268 4.776 5.774 0.474 2 0 "[ . 1 . 2]" 1
663 1 33 LYS H 1 33 LYS QG 4.360 . 4.360 3.507 2.773 4.049 . 0 0 "[ . 1 . 2]" 1
664 1 33 LYS H 1 37 ARG QB 4.680 . 4.680 4.052 3.029 4.596 . 0 0 "[ . 1 . 2]" 1
665 1 33 LYS H 1 38 VAL HA 3.510 . 3.510 2.548 2.113 3.244 . 0 0 "[ . 1 . 2]" 1
666 1 33 LYS H 1 38 VAL QG 3.990 . 3.990 3.293 2.111 4.251 0.261 8 0 "[ . 1 . 2]" 1
667 1 33 LYS H 1 39 VAL H 4.840 . 4.840 3.568 2.814 4.059 . 0 0 "[ . 1 . 2]" 1
668 1 33 LYS H 1 39 VAL QG 4.690 . 4.690 3.785 2.973 4.693 0.003 5 0 "[ . 1 . 2]" 1
669 1 33 LYS HA 1 33 LYS QG 3.650 . 3.650 2.300 2.164 2.402 . 0 0 "[ . 1 . 2]" 1
670 1 33 LYS HA 1 34 SER H 3.520 . 3.520 2.729 2.061 3.539 0.019 5 0 "[ . 1 . 2]" 1
671 1 33 LYS QB 1 33 LYS QE 3.740 . 3.740 3.623 3.463 3.777 0.037 5 0 "[ . 1 . 2]" 1
672 1 33 LYS QB 1 34 SER H 3.740 . 3.740 2.445 1.880 3.123 . 0 0 "[ . 1 . 2]" 1
673 1 33 LYS QB 1 34 SER HA 4.680 . 4.680 3.955 3.511 4.455 . 0 0 "[ . 1 . 2]" 1
674 1 33 LYS QB 1 34 SER QB 5.160 . 5.160 4.323 3.077 4.907 . 0 0 "[ . 1 . 2]" 1
675 1 33 LYS QB 1 37 ARG H 3.620 . 3.620 3.330 2.519 3.627 0.007 20 0 "[ . 1 . 2]" 1
676 1 33 LYS QB 1 37 ARG HA 4.150 . 4.150 3.942 3.756 4.167 0.017 2 0 "[ . 1 . 2]" 1
677 1 33 LYS HD2 1 37 ARG QD 4.710 . 4.710 3.693 3.020 4.545 . 0 0 "[ . 1 . 2]" 1
678 1 33 LYS HD2 1 39 VAL QG 3.680 . 3.680 2.360 1.757 4.020 0.340 5 0 "[ . 1 . 2]" 1
679 1 33 LYS HD3 1 37 ARG QD . . 3.700 2.492 1.938 3.259 . 0 0 "[ . 1 . 2]" 1
680 1 33 LYS HD3 1 38 VAL QG 5.460 . 5.460 5.537 5.017 6.199 0.739 8 3 "[ . + * - 2]" 1
681 1 33 LYS HD3 1 39 VAL H 4.940 . 4.940 5.006 4.955 5.094 0.154 1 0 "[ . 1 . 2]" 1
682 1 33 LYS HD3 1 39 VAL QG 4.490 . 4.490 2.613 1.922 3.414 . 0 0 "[ . 1 . 2]" 1
683 1 33 LYS QE 1 37 ARG QD 4.130 . 4.130 3.753 2.947 4.668 0.538 8 1 "[ . + 1 . 2]" 1
684 1 33 LYS QE 1 39 VAL QG 3.560 . 3.560 3.087 1.800 4.487 0.927 5 1 "[ + 1 . 2]" 1
685 1 33 LYS QG 1 34 SER H 5.200 . 5.200 3.282 1.891 4.062 . 0 0 "[ . 1 . 2]" 1
686 1 33 LYS QG 1 39 VAL H 5.500 . 5.500 5.372 4.572 6.217 0.717 15 4 "[ . 1 + **-]" 1
687 1 34 SER H 1 34 SER QB 3.700 . 3.700 2.702 2.399 3.373 . 0 0 "[ . 1 . 2]" 1
688 1 34 SER H 1 37 ARG QB 5.500 . 5.500 3.537 2.213 5.125 . 0 0 "[ . 1 . 2]" 1
689 1 34 SER H 1 37 ARG QG 4.730 . 4.730 5.137 4.043 7.096 2.366 3 10 "[ *+*. *1*- *.*** 2]" 1
690 1 34 SER HA 1 34 SER QB 2.500 . 2.500 2.343 2.159 2.429 . 0 0 "[ . 1 . 2]" 1
691 1 34 SER HA 1 36 GLY H 4.930 . 4.930 4.170 2.878 4.974 0.044 9 0 "[ . 1 . 2]" 1
692 1 34 SER HA 1 37 ARG H 5.160 . 5.160 4.088 3.212 4.753 . 0 0 "[ . 1 . 2]" 1
693 1 35 GLY H 1 36 GLY H 5.200 . 5.200 3.343 2.023 4.080 . 0 0 "[ . 1 . 2]" 1
694 1 35 GLY HA2 1 37 ARG H 5.500 . 5.500 4.673 3.940 5.308 . 0 0 "[ . 1 . 2]" 1
695 1 36 GLY H 1 37 ARG H 3.310 . 3.310 2.287 1.702 2.834 . 0 0 "[ . 1 . 2]" 1
696 1 36 GLY H 1 37 ARG QB 5.500 . 5.500 3.643 2.608 4.784 . 0 0 "[ . 1 . 2]" 1
697 1 36 GLY QA 1 37 ARG HA 4.600 . 4.600 4.019 3.929 4.117 . 0 0 "[ . 1 . 2]" 1
698 1 36 GLY QA 1 37 ARG QG 4.670 . 4.670 4.825 3.547 5.538 0.868 15 8 "[**- . * +* **2]" 1
699 1 37 ARG H 1 37 ARG QB . . 2.990 2.201 1.726 2.526 . 0 0 "[ . 1 . 2]" 1
700 1 37 ARG H 1 37 ARG QD 5.080 . 5.080 4.268 3.957 4.436 . 0 0 "[ . 1 . 2]" 1
701 1 37 ARG H 1 38 VAL H 4.590 . 4.590 3.328 2.097 4.362 . 0 0 "[ . 1 . 2]" 1
702 1 37 ARG H 1 38 VAL QG 5.290 . 5.290 3.638 2.932 4.687 . 0 0 "[ . 1 . 2]" 1
703 1 37 ARG H 1 49 THR MG 5.420 . 5.420 6.044 3.606 7.897 2.477 20 11 "[*** .*** 1 -* .* *+]" 1
704 1 37 ARG HA 1 37 ARG QD . . 3.230 2.360 1.776 3.232 0.002 19 0 "[ . 1 . 2]" 1
705 1 37 ARG HA 1 37 ARG QG 3.810 . 3.810 2.441 2.149 2.709 . 0 0 "[ . 1 . 2]" 1
706 1 37 ARG HA 1 38 VAL H 3.110 . 3.110 2.245 1.741 2.970 . 0 0 "[ . 1 . 2]" 1
707 1 37 ARG HA 1 38 VAL QG 4.760 . 4.760 3.753 3.089 4.322 . 0 0 "[ . 1 . 2]" 1
708 1 37 ARG HA 1 49 THR MG 3.650 . 3.650 3.858 1.934 5.517 1.867 20 7 "[**- .** 1 . *+]" 1
709 1 37 ARG QB 1 37 ARG QD . . 3.210 2.262 1.829 2.449 . 0 0 "[ . 1 . 2]" 1
710 1 37 ARG QB 1 38 VAL H 3.740 . 3.740 3.460 2.717 3.687 . 0 0 "[ . 1 . 2]" 1
711 1 37 ARG QB 1 49 THR MG . . 3.900 4.751 2.675 5.790 1.890 20 16 "[*********1 -**.** *+]" 1
712 1 37 ARG QD 1 38 VAL H 5.340 . 5.340 3.601 1.844 4.363 . 0 0 "[ . 1 . 2]" 1
713 1 37 ARG QD 1 49 THR HB 5.260 . 5.260 3.119 2.008 4.669 . 0 0 "[ . 1 . 2]" 1
714 1 37 ARG QD 1 49 THR MG . . 4.060 3.417 2.090 4.487 0.427 20 0 "[ . 1 . 2]" 1
715 1 38 VAL H 1 38 VAL HB 3.660 . 3.660 3.186 2.698 3.776 0.116 20 0 "[ . 1 . 2]" 1
716 1 38 VAL H 1 38 VAL QG 3.090 . 3.090 2.197 1.893 3.025 . 0 0 "[ . 1 . 2]" 1
717 1 38 VAL H 1 49 THR HA 4.780 . 4.780 4.153 3.122 4.787 0.007 12 0 "[ . 1 . 2]" 1
718 1 38 VAL H 1 49 THR HB 5.040 . 5.040 4.844 3.196 5.137 0.097 14 0 "[ . 1 . 2]" 1
719 1 38 VAL H 1 49 THR MG 3.690 . 3.690 4.449 1.800 5.525 1.835 13 15 "[*** ***-*1 *+*.** **]" 1
720 1 38 VAL H 1 50 ALA H 3.710 . 3.710 3.643 3.215 3.861 0.151 12 0 "[ . 1 . 2]" 1
721 1 38 VAL H 1 50 ALA MB 4.820 . 4.820 4.863 4.375 5.399 0.579 12 2 "[ . - 1 + . 2]" 1
722 1 38 VAL HA 1 38 VAL QG 3.190 . 3.190 2.206 2.162 2.295 . 0 0 "[ . 1 . 2]" 1
723 1 38 VAL HA 1 39 VAL H 2.760 . 2.760 2.152 1.980 2.465 . 0 0 "[ . 1 . 2]" 1
724 1 38 VAL HA 1 39 VAL QG 4.280 . 4.280 3.357 3.021 3.829 . 0 0 "[ . 1 . 2]" 1
725 1 38 VAL HB 1 39 VAL H 3.730 . 3.730 3.535 2.336 3.918 0.188 8 0 "[ . 1 . 2]" 1
726 1 38 VAL HB 1 39 VAL HA 4.880 . 4.880 4.524 4.191 4.903 0.023 11 0 "[ . 1 . 2]" 1
727 1 38 VAL HB 1 50 ALA H 4.670 . 4.670 3.506 2.211 4.689 0.019 12 0 "[ . 1 . 2]" 1
728 1 38 VAL QG 1 39 VAL H 3.730 . 3.730 2.880 2.264 3.576 . 0 0 "[ . 1 . 2]" 1
729 1 38 VAL QG 1 50 ALA H 4.040 . 4.040 3.148 2.035 3.915 . 0 0 "[ . 1 . 2]" 1
730 1 38 VAL QG 1 52 GLY H 5.050 . 5.050 3.941 2.883 5.256 0.206 17 0 "[ . 1 . 2]" 1
731 1 39 VAL H 1 39 VAL HB 3.610 . 3.610 2.680 2.192 3.710 0.100 6 0 "[ . 1 . 2]" 1
732 1 39 VAL H 1 39 VAL QG 3.360 . 3.360 2.489 1.996 3.003 . 0 0 "[ . 1 . 2]" 1
733 1 39 VAL H 1 40 VAL QG 5.500 . 5.500 3.825 3.370 4.303 . 0 0 "[ . 1 . 2]" 1
734 1 39 VAL H 1 49 THR HA 5.450 . 5.450 4.785 4.402 5.169 . 0 0 "[ . 1 . 2]" 1
735 1 39 VAL H 1 49 THR MG 5.220 . 5.220 6.431 4.090 7.294 2.074 2 16 "[*+*******1 ***.** -*]" 1
736 1 39 VAL HA 1 39 VAL QG 2.940 . 2.940 2.123 2.023 2.212 . 0 0 "[ . 1 . 2]" 1
737 1 39 VAL HA 1 40 VAL H 2.810 . 2.810 2.099 1.985 2.205 . 0 0 "[ . 1 . 2]" 1
738 1 39 VAL HA 1 40 VAL HA 4.940 . 4.940 4.340 4.251 4.425 . 0 0 "[ . 1 . 2]" 1
739 1 39 VAL HA 1 40 VAL QG . . 4.380 3.273 3.045 3.594 . 0 0 "[ . 1 . 2]" 1
740 1 39 VAL HA 1 47 GLU QG 4.590 . 4.590 3.912 3.195 4.349 . 0 0 "[ . 1 . 2]" 1
741 1 39 VAL HA 1 48 PHE H 4.780 . 4.780 4.190 4.025 4.482 . 0 0 "[ . 1 . 2]" 1
742 1 39 VAL HA 1 49 THR H 5.270 . 5.270 4.875 4.381 5.323 0.053 1 0 "[ . 1 . 2]" 1
743 1 39 VAL HA 1 49 THR HA 3.250 . 3.250 2.632 2.023 3.280 0.030 2 0 "[ . 1 . 2]" 1
744 1 39 VAL HA 1 49 THR MG 4.140 . 4.140 4.983 3.214 5.803 1.663 1 15 "[+***** **1-***.** *]" 1
745 1 39 VAL HA 1 50 ALA H 3.780 . 3.780 3.635 3.080 3.876 0.096 15 0 "[ . 1 . 2]" 1
746 1 39 VAL HB 1 40 VAL H 4.520 . 4.520 4.018 2.675 4.351 . 0 0 "[ . 1 . 2]" 1
747 1 39 VAL HB 1 40 VAL QG 5.130 . 5.130 4.599 4.128 4.931 . 0 0 "[ . 1 . 2]" 1
748 1 39 VAL QG 1 40 VAL H . . 3.770 2.733 2.459 3.199 . 0 0 "[ . 1 . 2]" 1
749 1 39 VAL QG 1 40 VAL HA 4.590 . 4.590 3.552 3.018 4.179 . 0 0 "[ . 1 . 2]" 1
750 1 39 VAL QG 1 40 VAL QG 4.220 . 4.220 3.623 3.452 3.805 . 0 0 "[ . 1 . 2]" 1
751 1 39 VAL QG 1 47 GLU QG . . 3.840 1.973 1.676 2.516 . 0 0 "[ . 1 . 2]" 1
752 1 39 VAL QG 1 48 PHE H 4.340 . 4.340 3.397 2.729 3.978 . 0 0 "[ . 1 . 2]" 1
753 1 39 VAL QG 1 49 THR HA 3.550 . 3.550 3.177 2.067 4.120 0.570 1 1 "[+ . 1 . 2]" 1
754 1 39 VAL QG 1 49 THR HB 4.230 . 4.230 3.542 1.862 5.713 1.483 15 4 "[- . ** + 2]" 1
755 1 39 VAL QG 1 49 THR MG 3.920 . 3.920 4.143 2.806 5.490 1.570 1 8 "[+***. *1- .** 2]" 1
756 1 39 VAL QG 1 50 ALA H 4.530 . 4.530 4.362 3.633 4.809 0.279 2 0 "[ . 1 . 2]" 1
757 1 40 VAL H 1 40 VAL HB 4.020 . 4.020 3.813 3.771 3.900 . 0 0 "[ . 1 . 2]" 1
758 1 40 VAL H 1 40 VAL QG . . 3.190 2.185 2.008 2.310 . 0 0 "[ . 1 . 2]" 1
759 1 40 VAL H 1 41 GLN H 5.110 . 5.110 4.250 4.141 4.368 . 0 0 "[ . 1 . 2]" 1
760 1 40 VAL H 1 47 GLU HA 4.170 . 4.170 4.212 4.050 4.289 0.119 14 0 "[ . 1 . 2]" 1
761 1 40 VAL H 1 47 GLU QG 5.330 . 5.330 3.422 3.036 3.800 . 0 0 "[ . 1 . 2]" 1
762 1 40 VAL H 1 48 PHE H 3.310 . 3.310 2.871 2.658 3.032 . 0 0 "[ . 1 . 2]" 1
763 1 40 VAL H 1 48 PHE QD 5.130 . 5.130 4.741 4.481 5.031 . 0 0 "[ . 1 . 2]" 1
764 1 40 VAL H 1 49 THR HA 3.880 . 3.880 3.601 3.078 3.917 0.037 15 0 "[ . 1 . 2]" 1
765 1 40 VAL H 1 50 ALA MB 4.620 . 4.620 4.252 3.609 5.145 0.525 18 1 "[ . 1 . + 2]" 1
766 1 40 VAL HA 1 40 VAL QG 3.280 . 3.280 2.363 2.334 2.403 . 0 0 "[ . 1 . 2]" 1
767 1 40 VAL HA 1 41 GLN H 2.880 . 2.880 2.224 2.151 2.315 . 0 0 "[ . 1 . 2]" 1
768 1 40 VAL HA 1 41 GLN HA 4.950 . 4.950 4.379 4.329 4.427 . 0 0 "[ . 1 . 2]" 1
769 1 40 VAL HB 1 41 GLN H 3.100 . 3.100 2.763 2.566 2.994 . 0 0 "[ . 1 . 2]" 1
770 1 40 VAL QG 1 41 GLN H . . 3.970 3.306 3.178 3.421 . 0 0 "[ . 1 . 2]" 1
771 1 40 VAL QG 1 41 GLN HA 4.530 . 4.530 3.623 3.452 3.780 . 0 0 "[ . 1 . 2]" 1
772 1 40 VAL QG 1 42 SER H 4.920 . 4.920 4.070 3.563 4.397 . 0 0 "[ . 1 . 2]" 1
773 1 40 VAL QG 1 42 SER HB2 5.490 . 5.490 4.804 3.645 5.669 0.179 16 0 "[ . 1 . 2]" 1
774 1 40 VAL QG 1 47 GLU HA 4.620 . 4.620 4.156 3.787 4.463 . 0 0 "[ . 1 . 2]" 1
775 1 40 VAL QG 1 48 PHE H 3.820 . 3.820 3.211 3.098 3.367 . 0 0 "[ . 1 . 2]" 1
776 1 40 VAL QG 1 48 PHE QB 5.210 . 5.210 4.254 3.951 4.501 . 0 0 "[ . 1 . 2]" 1
777 1 40 VAL QG 1 48 PHE QE . . 3.640 2.926 2.682 3.206 . 0 0 "[ . 1 . 2]" 1
778 1 40 VAL QG 1 48 PHE HZ 4.060 . 4.060 3.196 2.797 3.586 . 0 0 "[ . 1 . 2]" 1
779 1 40 VAL QG 1 49 THR HA . . 4.680 3.719 3.240 3.972 . 0 0 "[ . 1 . 2]" 1
780 1 40 VAL QG 1 50 ALA H 4.260 . 4.260 3.320 2.735 4.196 . 0 0 "[ . 1 . 2]" 1
781 1 40 VAL QG 1 50 ALA HA 5.310 . 5.310 4.187 3.347 5.290 . 0 0 "[ . 1 . 2]" 1
782 1 40 VAL QG 1 50 ALA MB 4.010 . 4.010 2.288 1.798 3.211 . 0 0 "[ . 1 . 2]" 1
783 1 41 GLN H 1 41 GLN HB2 3.900 . 3.900 3.056 2.893 3.207 . 0 0 "[ . 1 . 2]" 1
784 1 41 GLN H 1 41 GLN HB3 3.670 . 3.670 2.600 2.470 2.701 . 0 0 "[ . 1 . 2]" 1
785 1 41 GLN H 1 41 GLN QG 4.850 . 4.850 4.064 3.987 4.125 . 0 0 "[ . 1 . 2]" 1
786 1 41 GLN H 1 42 SER H 4.610 . 4.610 4.163 3.946 4.321 . 0 0 "[ . 1 . 2]" 1
787 1 41 GLN H 1 47 GLU HA 5.160 . 5.160 4.297 4.008 4.568 . 0 0 "[ . 1 . 2]" 1
788 1 41 GLN HA 1 41 GLN QG . . 3.630 2.513 2.446 2.586 . 0 0 "[ . 1 . 2]" 1
789 1 41 GLN HA 1 42 SER H 2.690 . 2.690 2.051 1.967 2.109 . 0 0 "[ . 1 . 2]" 1
790 1 41 GLN HA 1 42 SER HA 4.610 . 4.610 4.329 4.227 4.390 . 0 0 "[ . 1 . 2]" 1
791 1 41 GLN HA 1 42 SER HB2 4.730 . 4.730 4.410 4.144 4.566 . 0 0 "[ . 1 . 2]" 1
792 1 41 GLN HA 1 46 ARG H 5.060 . 5.060 4.564 3.933 4.960 . 0 0 "[ . 1 . 2]" 1
793 1 41 GLN HA 1 47 GLU H 5.170 . 5.170 4.215 3.965 4.567 . 0 0 "[ . 1 . 2]" 1
794 1 41 GLN HA 1 47 GLU HA 2.860 . 2.860 2.025 1.754 2.329 . 0 0 "[ . 1 . 2]" 1
795 1 41 GLN HA 1 47 GLU QG 5.180 . 5.180 3.628 3.084 4.148 . 0 0 "[ . 1 . 2]" 1
796 1 41 GLN HA 1 48 PHE H 3.840 . 3.840 3.333 3.106 3.691 . 0 0 "[ . 1 . 2]" 1
797 1 41 GLN HA 1 48 PHE QD 4.710 . 4.710 3.891 3.347 4.468 . 0 0 "[ . 1 . 2]" 1
798 1 41 GLN HB2 1 41 GLN HE22 5.050 . 5.050 4.175 3.814 4.649 . 0 0 "[ . 1 . 2]" 1
799 1 41 GLN HB2 1 42 SER H 4.270 . 4.270 4.203 4.109 4.343 0.073 19 0 "[ . 1 . 2]" 1
800 1 41 GLN HB2 1 47 GLU HA 4.140 . 4.140 2.801 2.623 2.984 . 0 0 "[ . 1 . 2]" 1
801 1 41 GLN HB3 1 41 GLN HE22 4.410 . 4.410 4.192 3.782 4.582 0.172 19 0 "[ . 1 . 2]" 1
802 1 41 GLN HB3 1 42 SER H 4.410 . 4.410 4.169 4.061 4.272 . 0 0 "[ . 1 . 2]" 1
803 1 41 GLN HE22 1 41 GLN QG 3.760 . 3.760 3.254 3.195 3.290 . 0 0 "[ . 1 . 2]" 1
804 1 41 GLN HE22 1 45 GLY HA2 5.400 . 5.400 3.799 2.985 4.609 . 0 0 "[ . 1 . 2]" 1
805 1 41 GLN QG 1 42 SER H 4.160 . 4.160 2.913 2.712 3.182 . 0 0 "[ . 1 . 2]" 1
806 1 41 GLN QG 1 45 GLY H 4.510 . 4.510 3.246 2.959 3.462 . 0 0 "[ . 1 . 2]" 1
807 1 41 GLN QG 1 45 GLY HA2 . . 4.510 2.671 2.402 2.884 . 0 0 "[ . 1 . 2]" 1
808 1 41 GLN QG 1 45 GLY HA3 5.230 . 5.230 4.010 3.828 4.067 . 0 0 "[ . 1 . 2]" 1
809 1 41 GLN QG 1 46 ARG H 5.290 . 5.290 3.182 2.327 3.676 . 0 0 "[ . 1 . 2]" 1
810 1 41 GLN QG 1 47 GLU H 5.080 . 5.080 3.194 2.983 3.582 . 0 0 "[ . 1 . 2]" 1
811 1 41 GLN QG 1 47 GLU HA . . 4.310 2.972 2.588 3.312 . 0 0 "[ . 1 . 2]" 1
812 1 42 SER H 1 42 SER HB2 3.320 . 3.320 2.523 2.222 2.747 . 0 0 "[ . 1 . 2]" 1
813 1 42 SER H 1 42 SER HB3 3.860 . 3.860 3.021 2.453 3.642 . 0 0 "[ . 1 . 2]" 1
814 1 42 SER H 1 43 ASP H 5.070 . 5.070 4.537 4.422 4.648 . 0 0 "[ . 1 . 2]" 1
815 1 42 SER H 1 45 GLY H 4.920 . 4.920 4.354 4.070 4.713 . 0 0 "[ . 1 . 2]" 1
816 1 42 SER H 1 46 ARG H 3.800 . 3.800 3.463 3.020 3.814 0.014 1 0 "[ . 1 . 2]" 1
817 1 42 SER H 1 47 GLU HA 3.820 . 3.820 3.633 3.269 3.917 0.097 15 0 "[ . 1 . 2]" 1
818 1 42 SER H 1 48 PHE H 5.100 . 5.100 4.650 4.236 5.139 0.039 3 0 "[ . 1 . 2]" 1
819 1 42 SER H 1 48 PHE QE 4.240 . 4.240 2.967 2.127 3.679 . 0 0 "[ . 1 . 2]" 1
820 1 42 SER HA 1 43 ASP H 3.030 . 3.030 2.402 2.214 2.551 . 0 0 "[ . 1 . 2]" 1
821 1 42 SER HA 1 43 ASP HA 4.230 . 4.230 4.259 4.222 4.284 0.054 17 0 "[ . 1 . 2]" 1
822 1 42 SER HA 1 43 ASP QB 5.000 . 5.000 4.544 4.018 4.771 . 0 0 "[ . 1 . 2]" 1
823 1 42 SER HA 1 48 PHE QE 4.550 . 4.550 4.366 3.762 5.133 0.583 4 1 "[ +. 1 . 2]" 1
824 1 42 SER HB2 1 43 ASP H 3.850 . 3.850 3.705 3.302 3.889 0.039 19 0 "[ . 1 . 2]" 1
825 1 42 SER HB2 1 46 ARG H 4.830 . 4.830 4.029 2.537 4.891 0.061 6 0 "[ . 1 . 2]" 1
826 1 42 SER HB2 1 48 PHE QE 3.650 . 3.650 2.562 1.895 3.055 . 0 0 "[ . 1 . 2]" 1
827 1 42 SER HB2 1 48 PHE HZ 4.560 . 4.560 4.131 3.152 4.632 0.072 16 0 "[ . 1 . 2]" 1
828 1 42 SER HB3 1 43 ASP H 3.260 . 3.260 2.966 2.170 3.410 0.150 3 0 "[ . 1 . 2]" 1
829 1 42 SER HB3 1 44 GLN H 4.880 . 4.880 2.821 2.473 3.724 . 0 0 "[ . 1 . 2]" 1
830 1 42 SER HB3 1 46 ARG H 5.380 . 5.380 3.880 2.837 5.137 . 0 0 "[ . 1 . 2]" 1
831 1 42 SER HB3 1 46 ARG QD 4.670 . 4.670 4.215 3.380 4.648 . 0 0 "[ . 1 . 2]" 1
832 1 42 SER HB3 1 48 PHE QE 4.380 . 4.380 3.571 2.502 4.093 . 0 0 "[ . 1 . 2]" 1
833 1 42 SER HB3 1 48 PHE HZ 5.300 . 5.300 5.054 4.484 5.334 0.034 18 0 "[ . 1 . 2]" 1
834 1 43 ASP H 1 43 ASP QB 3.080 . 3.080 2.465 2.175 2.804 . 0 0 "[ . 1 . 2]" 1
835 1 43 ASP H 1 44 GLN H 4.310 . 4.310 2.653 2.290 3.284 . 0 0 "[ . 1 . 2]" 1
836 1 43 ASP H 1 45 GLY H 5.040 . 5.040 4.190 4.035 4.417 . 0 0 "[ . 1 . 2]" 1
837 1 43 ASP HA 1 45 GLY H 4.760 . 4.760 3.324 2.961 3.943 . 0 0 "[ . 1 . 2]" 1
838 1 43 ASP QB 1 44 GLN H 4.580 . 4.580 3.247 2.703 3.789 . 0 0 "[ . 1 . 2]" 1
839 1 43 ASP QB 1 44 GLN QE 4.860 . 4.860 5.274 2.453 6.381 1.521 15 12 "[-** .* **** + * **]" 1
840 1 43 ASP QB 1 44 GLN QG 4.320 . 4.320 4.046 3.299 4.944 0.624 9 1 "[ . +1 . 2]" 1
841 1 44 GLN H 1 44 GLN HB2 4.010 . 4.010 2.741 2.198 3.608 . 0 0 "[ . 1 . 2]" 1
842 1 44 GLN H 1 44 GLN QE 4.570 . 4.570 3.482 1.653 4.440 . 0 0 "[ . 1 . 2]" 1
843 1 44 GLN H 1 44 GLN QG 4.880 . 4.880 2.389 1.736 3.682 . 0 0 "[ . 1 . 2]" 1
844 1 44 GLN H 1 45 GLY H 3.640 . 3.640 2.546 2.346 2.762 . 0 0 "[ . 1 . 2]" 1
845 1 44 GLN H 1 45 GLY HA2 5.160 . 5.160 4.845 4.602 5.151 . 0 0 "[ . 1 . 2]" 1
846 1 44 GLN HA 1 44 GLN QG 3.740 . 3.740 2.725 2.439 3.330 . 0 0 "[ . 1 . 2]" 1
847 1 44 GLN HB2 1 45 GLY H 4.420 . 4.420 3.667 3.058 4.260 . 0 0 "[ . 1 . 2]" 1
848 1 44 GLN HB3 1 46 ARG H 4.510 . 4.510 4.248 3.089 5.334 0.824 19 2 "[ . -1 . +2]" 1
849 1 44 GLN QE 1 46 ARG H 4.700 . 4.700 4.487 4.179 4.639 . 0 0 "[ . 1 . 2]" 1
850 1 45 GLY H 1 46 ARG H 3.230 . 3.230 2.500 1.964 2.792 . 0 0 "[ . 1 . 2]" 1
851 1 45 GLY HA2 1 46 ARG HA 4.790 . 4.790 4.596 4.446 4.780 . 0 0 "[ . 1 . 2]" 1
852 1 46 ARG H 1 46 ARG HB2 3.300 . 3.300 2.746 2.153 3.535 0.235 9 0 "[ . 1 . 2]" 1
853 1 46 ARG H 1 46 ARG HB3 3.340 . 3.340 2.771 2.198 3.493 0.153 19 0 "[ . 1 . 2]" 1
854 1 46 ARG H 1 46 ARG QD . . 4.840 3.640 2.084 4.362 . 0 0 "[ . 1 . 2]" 1
855 1 46 ARG H 1 46 ARG QG 4.890 . 4.890 3.185 1.856 4.004 . 0 0 "[ . 1 . 2]" 1
856 1 46 ARG H 1 47 GLU H 4.700 . 4.700 4.261 3.993 4.433 . 0 0 "[ . 1 . 2]" 1
857 1 46 ARG H 1 48 PHE QE 5.200 . 5.200 5.088 4.199 5.673 0.473 14 0 "[ . 1 . 2]" 1
858 1 46 ARG HA 1 46 ARG QG 3.890 . 3.890 2.690 2.145 3.406 . 0 0 "[ . 1 . 2]" 1
859 1 46 ARG HA 1 47 GLU H 2.710 . 2.710 2.180 2.079 2.304 . 0 0 "[ . 1 . 2]" 1
860 1 46 ARG HA 1 47 GLU HA 5.120 . 5.120 4.456 4.353 4.531 . 0 0 "[ . 1 . 2]" 1
861 1 46 ARG HA 1 48 PHE QD 5.300 . 5.300 4.594 4.022 5.188 . 0 0 "[ . 1 . 2]" 1
862 1 46 ARG HB2 1 46 ARG QD . . 3.800 2.397 2.114 3.152 . 0 0 "[ . 1 . 2]" 1
863 1 46 ARG HB2 1 48 PHE QD 4.810 . 4.810 4.126 2.751 5.210 0.400 14 0 "[ . 1 . 2]" 1
864 1 46 ARG HB3 1 46 ARG QD 3.360 . 3.360 2.545 2.094 3.383 0.023 13 0 "[ . 1 . 2]" 1
865 1 46 ARG HB3 1 47 GLU H 4.920 . 4.920 4.183 3.593 4.507 . 0 0 "[ . 1 . 2]" 1
866 1 46 ARG QD 1 48 PHE QD 5.500 . 5.500 4.316 3.322 5.687 0.187 2 0 "[ . 1 . 2]" 1
867 1 46 ARG QG 1 47 GLU H 4.400 . 4.400 3.909 3.242 4.456 0.056 11 0 "[ . 1 . 2]" 1
868 1 46 ARG QG 1 47 GLU HA 5.230 . 5.230 4.869 4.078 5.932 0.702 8 5 "[ * * + 1 .* -2]" 1
869 1 46 ARG QG 1 48 PHE QB 3.860 . 3.860 4.017 2.497 5.707 1.847 16 7 "[ * * - 1* .+ **2]" 1
870 1 46 ARG QG 1 48 PHE QD 3.880 . 3.880 3.004 2.036 4.986 1.106 2 3 "[ + - 1 .* 2]" 1
871 1 47 GLU H 1 47 GLU QB 2.880 . 2.880 2.331 2.269 2.446 . 0 0 "[ . 1 . 2]" 1
872 1 47 GLU H 1 47 GLU QG 4.580 . 4.580 3.993 3.914 4.091 . 0 0 "[ . 1 . 2]" 1
873 1 47 GLU H 1 48 PHE QD 5.500 . 5.500 4.375 3.943 4.931 . 0 0 "[ . 1 . 2]" 1
874 1 47 GLU HA 1 47 GLU QB 2.750 . 2.750 2.424 2.372 2.485 . 0 0 "[ . 1 . 2]" 1
875 1 47 GLU HA 1 47 GLU QG 3.530 . 3.530 2.406 2.238 2.480 . 0 0 "[ . 1 . 2]" 1
876 1 47 GLU HA 1 48 PHE H 2.520 . 2.520 2.171 2.092 2.276 . 0 0 "[ . 1 . 2]" 1
877 1 47 GLU HA 1 48 PHE HA 4.940 . 4.940 4.389 4.335 4.500 . 0 0 "[ . 1 . 2]" 1
878 1 47 GLU HA 1 48 PHE QD 4.060 . 4.060 3.543 2.978 3.891 . 0 0 "[ . 1 . 2]" 1
879 1 47 GLU QB 1 48 PHE H 3.580 . 3.580 3.668 3.260 3.884 0.304 11 0 "[ . 1 . 2]" 1
880 1 47 GLU QG 1 48 PHE H . . 3.690 2.639 2.071 3.021 . 0 0 "[ . 1 . 2]" 1
881 1 48 PHE H 1 48 PHE QD 3.580 . 3.580 3.041 2.603 3.478 . 0 0 "[ . 1 . 2]" 1
882 1 48 PHE H 1 49 THR H 5.310 . 5.310 4.331 4.146 4.429 . 0 0 "[ . 1 . 2]" 1
883 1 48 PHE HA 1 48 PHE QD 3.820 . 3.820 3.740 3.681 3.779 . 0 0 "[ . 1 . 2]" 1
884 1 48 PHE HA 1 49 THR H 2.910 . 2.910 2.453 2.158 2.723 . 0 0 "[ . 1 . 2]" 1
885 1 48 PHE HA 1 49 THR MG 5.210 . 5.210 4.183 3.484 5.506 0.296 11 0 "[ . 1 . 2]" 1
886 1 48 PHE QB 1 49 THR H . . 3.130 2.245 1.952 2.748 . 0 0 "[ . 1 . 2]" 1
887 1 48 PHE QD 1 49 THR H 3.790 . 3.790 3.292 2.636 4.100 0.310 2 0 "[ . 1 . 2]" 1
888 1 48 PHE QD 1 49 THR HB 5.120 . 5.120 5.450 4.415 6.170 1.050 2 9 "[*+* -** *1 * .* 2]" 1
889 1 48 PHE QD 1 50 ALA H 4.960 . 4.960 4.434 3.913 4.902 . 0 0 "[ . 1 . 2]" 1
890 1 48 PHE QD 1 50 ALA HA 3.620 . 3.620 3.700 3.189 4.509 0.889 6 3 "[ .+- 1 *. 2]" 1
891 1 48 PHE QE 1 50 ALA MB 3.740 . 3.740 2.979 2.100 3.988 0.248 9 0 "[ . 1 . 2]" 1
892 1 48 PHE HZ 1 50 ALA MB 4.930 . 4.930 4.623 3.882 5.565 0.635 9 1 "[ . +1 . 2]" 1
893 1 49 THR H 1 49 THR HB 3.090 . 3.090 2.829 2.315 3.111 0.021 14 0 "[ . 1 . 2]" 1
894 1 49 THR H 1 49 THR MG 4.270 . 4.270 2.376 1.848 3.840 . 0 0 "[ . 1 . 2]" 1
895 1 49 THR H 1 50 ALA H 4.960 . 4.960 4.350 4.085 4.566 . 0 0 "[ . 1 . 2]" 1
896 1 49 THR HA 1 49 THR MG 3.330 . 3.330 3.074 2.306 3.265 . 0 0 "[ . 1 . 2]" 1
897 1 49 THR HA 1 50 ALA H 2.700 . 2.700 2.127 2.004 2.349 . 0 0 "[ . 1 . 2]" 1
898 1 49 THR HA 1 50 ALA MB 4.370 . 4.370 3.878 3.730 4.028 . 0 0 "[ . 1 . 2]" 1
899 1 49 THR HB 1 50 ALA H 4.210 . 4.210 4.129 3.985 4.246 0.036 2 0 "[ . 1 . 2]" 1
900 1 49 THR MG 1 50 ALA H 3.550 . 3.550 3.725 2.454 4.311 0.761 13 7 "[****. * 1 + .- 2]" 1
901 1 50 ALA H 1 50 ALA MB 3.300 . 3.300 2.416 2.296 2.632 . 0 0 "[ . 1 . 2]" 1
902 1 50 ALA H 1 51 ARG H 4.710 . 4.710 4.423 4.268 4.579 . 0 0 "[ . 1 . 2]" 1
903 1 50 ALA HA 1 51 ARG H 2.610 . 2.610 2.393 2.148 2.642 0.032 7 0 "[ . 1 . 2]" 1
904 1 50 ALA HA 1 54 GLN QE 4.860 . 4.860 3.841 3.425 4.317 . 0 0 "[ . 1 . 2]" 1
905 1 50 ALA MB 1 51 ARG H 3.420 . 3.420 2.370 1.915 2.901 . 0 0 "[ . 1 . 2]" 1
906 1 50 ALA MB 1 54 GLN H 4.600 . 4.600 4.462 3.976 5.146 0.546 17 1 "[ . 1 . + 2]" 1
907 1 50 ALA MB 1 54 GLN QB . . 3.740 2.846 1.995 4.034 0.294 9 0 "[ . 1 . 2]" 1
908 1 50 ALA MB 1 54 GLN QE 5.500 . 5.500 3.941 2.703 5.035 . 0 0 "[ . 1 . 2]" 1
909 1 50 ALA MB 1 55 VAL H 5.500 . 5.500 4.839 4.242 5.348 . 0 0 "[ . 1 . 2]" 1
910 1 50 ALA MB 1 55 VAL HA 5.350 . 5.350 4.672 4.383 5.246 . 0 0 "[ . 1 . 2]" 1
911 1 50 ALA MB 1 55 VAL HB 4.440 . 4.440 4.564 4.030 5.511 1.071 7 3 "[ .-+ 1 *. 2]" 1
912 1 50 ALA MB 1 55 VAL QG 3.080 . 3.080 2.158 1.833 2.955 . 0 0 "[ . 1 . 2]" 1
913 1 51 ARG H 1 51 ARG HB2 3.000 . 3.000 2.553 2.353 2.769 . 0 0 "[ . 1 . 2]" 1
914 1 51 ARG H 1 51 ARG HB3 4.090 . 4.090 3.705 3.585 3.827 . 0 0 "[ . 1 . 2]" 1
915 1 51 ARG H 1 51 ARG QD 4.990 . 4.990 4.003 2.638 4.980 . 0 0 "[ . 1 . 2]" 1
916 1 51 ARG H 1 51 ARG QG 3.840 . 3.840 2.925 2.348 3.932 0.092 1 0 "[ . 1 . 2]" 1
917 1 51 ARG H 1 52 GLY H 4.610 . 4.610 4.481 4.316 4.621 0.011 13 0 "[ . 1 . 2]" 1
918 1 51 ARG H 1 54 GLN H 4.870 . 4.870 3.763 3.386 4.103 . 0 0 "[ . 1 . 2]" 1
919 1 51 ARG H 1 54 GLN QB 3.550 . 3.550 2.375 2.165 2.490 . 0 0 "[ . 1 . 2]" 1
920 1 51 ARG H 1 54 GLN QE 5.310 . 5.310 3.921 3.548 4.638 . 0 0 "[ . 1 . 2]" 1
921 1 51 ARG H 1 55 VAL QG 5.270 . 5.270 3.339 2.330 4.114 . 0 0 "[ . 1 . 2]" 1
922 1 51 ARG HA 1 52 GLY H 2.770 . 2.770 2.376 2.253 2.470 . 0 0 "[ . 1 . 2]" 1
923 1 51 ARG HB2 1 51 ARG QG 2.410 . 2.410 2.318 2.170 2.404 . 0 0 "[ . 1 . 2]" 1
924 1 51 ARG HB2 1 52 GLY H 4.250 . 4.250 3.807 3.460 3.991 . 0 0 "[ . 1 . 2]" 1
925 1 51 ARG HB2 1 53 ASN H 5.060 . 5.060 3.053 2.487 3.589 . 0 0 "[ . 1 . 2]" 1
926 1 51 ARG HB2 1 54 GLN H 4.460 . 4.460 3.319 2.702 3.598 . 0 0 "[ . 1 . 2]" 1
927 1 51 ARG HB2 1 54 GLN QB 5.180 . 5.180 3.016 2.176 3.627 . 0 0 "[ . 1 . 2]" 1
928 1 51 ARG HB2 1 54 GLN QE 5.500 . 5.500 4.537 3.826 5.055 . 0 0 "[ . 1 . 2]" 1
929 1 51 ARG HB2 1 54 GLN QG 4.490 . 4.490 2.776 2.224 4.126 . 0 0 "[ . 1 . 2]" 1
930 1 51 ARG HB2 1 55 VAL QG 4.850 . 4.850 4.603 4.211 4.908 0.058 14 0 "[ . 1 . 2]" 1
931 1 51 ARG HB3 1 52 GLY H 3.200 . 3.200 2.686 2.357 2.977 . 0 0 "[ . 1 . 2]" 1
932 1 51 ARG HB3 1 52 GLY HA3 5.140 . 5.140 4.616 4.406 4.846 . 0 0 "[ . 1 . 2]" 1
933 1 51 ARG HB3 1 53 ASN H 4.610 . 4.610 2.738 2.312 3.200 . 0 0 "[ . 1 . 2]" 1
934 1 51 ARG HB3 1 54 GLN H 4.340 . 4.340 4.031 3.651 4.404 0.064 14 0 "[ . 1 . 2]" 1
935 1 51 ARG QD 1 52 GLY H 4.500 . 4.500 4.775 3.679 5.480 0.980 9 9 "[ * ** +1 *- * * *]" 1
936 1 51 ARG QG 1 52 GLY H 3.680 . 3.680 4.066 3.730 4.603 0.923 4 4 "[ - +. 1 .* * 2]" 1
937 1 52 GLY H 1 53 ASN H 4.620 . 4.620 2.769 2.501 3.042 . 0 0 "[ . 1 . 2]" 1
938 1 52 GLY H 1 54 GLN H 5.500 . 5.500 4.181 4.054 4.358 . 0 0 "[ . 1 . 2]" 1
939 1 52 GLY HA2 1 54 GLN H 4.440 . 4.440 3.511 3.225 3.735 . 0 0 "[ . 1 . 2]" 1
940 1 52 GLY HA2 1 55 VAL H 4.870 . 4.870 3.457 2.910 3.830 . 0 0 "[ . 1 . 2]" 1
941 1 52 GLY HA2 1 55 VAL HB 4.650 . 4.650 2.998 2.682 3.174 . 0 0 "[ . 1 . 2]" 1
942 1 52 GLY HA2 1 55 VAL QG 3.760 . 3.760 2.916 2.536 3.383 . 0 0 "[ . 1 . 2]" 1
943 1 52 GLY HA3 1 53 ASN HA 4.540 . 4.540 4.440 4.299 4.623 0.083 15 0 "[ . 1 . 2]" 1
944 1 52 GLY HA3 1 54 GLN H 4.780 . 4.780 4.364 4.171 4.486 . 0 0 "[ . 1 . 2]" 1
945 1 52 GLY HA3 1 55 VAL HB 5.130 . 5.130 4.617 4.287 4.704 . 0 0 "[ . 1 . 2]" 1
946 1 52 GLY HA3 1 55 VAL QG 4.900 . 4.900 4.274 3.970 4.663 . 0 0 "[ . 1 . 2]" 1
947 1 53 ASN H 1 53 ASN HB2 4.120 . 4.120 2.518 2.470 2.634 . 0 0 "[ . 1 . 2]" 1
948 1 53 ASN H 1 53 ASN HB3 4.140 . 4.140 3.669 3.636 3.765 . 0 0 "[ . 1 . 2]" 1
949 1 53 ASN H 1 53 ASN HD21 5.440 . 5.440 3.547 3.261 4.113 . 0 0 "[ . 1 . 2]" 1
950 1 53 ASN H 1 53 ASN HD22 5.500 . 5.500 4.243 3.984 4.555 . 0 0 "[ . 1 . 2]" 1
951 1 53 ASN H 1 55 VAL H 5.490 . 5.490 3.841 3.303 4.224 . 0 0 "[ . 1 . 2]" 1
952 1 53 ASN HA 1 53 ASN HD21 3.050 . 3.050 1.912 1.825 2.160 . 0 0 "[ . 1 . 2]" 1
953 1 53 ASN HA 1 53 ASN HD22 3.530 . 3.530 3.527 3.444 3.573 0.043 14 0 "[ . 1 . 2]" 1
954 1 53 ASN HA 1 55 VAL H 4.390 . 4.390 3.741 3.407 4.059 . 0 0 "[ . 1 . 2]" 1
955 1 53 ASN HB2 1 54 GLN H 4.760 . 4.760 3.347 2.860 3.646 . 0 0 "[ . 1 . 2]" 1
956 1 53 ASN HB2 1 54 GLN QG 5.400 . 5.400 3.268 2.769 5.282 . 0 0 "[ . 1 . 2]" 1
957 1 53 ASN HB3 1 54 GLN H 5.330 . 5.330 4.177 3.945 4.325 . 0 0 "[ . 1 . 2]" 1
958 1 53 ASN HB3 1 54 GLN HA 4.930 . 4.930 4.704 4.596 4.837 . 0 0 "[ . 1 . 2]" 1
959 1 53 ASN HD21 1 54 GLN H 4.920 . 4.920 4.802 4.639 5.077 0.157 20 0 "[ . 1 . 2]" 1
960 1 53 ASN HD21 1 55 VAL H 5.500 . 5.500 5.449 5.148 5.560 0.060 19 0 "[ . 1 . 2]" 1
961 1 54 GLN H 1 54 GLN QB . . 2.990 2.317 2.228 2.419 . 0 0 "[ . 1 . 2]" 1
962 1 54 GLN H 1 55 VAL H 3.000 . 3.000 2.177 2.005 2.327 . 0 0 "[ . 1 . 2]" 1
963 1 54 GLN H 1 55 VAL HA 5.330 . 5.330 4.682 4.541 4.892 . 0 0 "[ . 1 . 2]" 1
964 1 54 GLN H 1 55 VAL QG 3.870 . 3.870 3.046 2.861 3.430 . 0 0 "[ . 1 . 2]" 1
965 1 54 GLN HA 1 54 GLN QE 4.960 . 4.960 4.195 3.984 4.753 . 0 0 "[ . 1 . 2]" 1
966 1 54 GLN HA 1 54 GLN QG 3.170 . 3.170 2.415 2.349 2.500 . 0 0 "[ . 1 . 2]" 1
967 1 54 GLN QB 1 55 VAL H 4.310 . 4.310 3.393 3.042 3.627 . 0 0 "[ . 1 . 2]" 1
968 1 54 GLN QB 1 55 VAL HA 5.060 . 5.060 4.165 4.036 4.419 . 0 0 "[ . 1 . 2]" 1
969 1 54 GLN QE 1 55 VAL QG 3.950 . 3.950 4.921 4.484 5.180 1.230 14 20 [*******-*****+******] 1
970 1 55 VAL H 1 55 VAL HB 3.220 . 3.220 2.823 2.705 2.975 . 0 0 "[ . 1 . 2]" 1
971 1 55 VAL H 1 55 VAL QG 3.390 . 3.390 2.659 2.427 2.842 . 0 0 "[ . 1 . 2]" 1
972 1 55 VAL H 1 56 ARG H 4.780 . 4.780 4.250 4.131 4.351 . 0 0 "[ . 1 . 2]" 1
973 1 55 VAL H 1 56 ARG HG3 5.330 . 5.330 5.346 5.211 5.397 0.067 12 0 "[ . 1 . 2]" 1
974 1 55 VAL HA 1 55 VAL QG 3.110 . 3.110 2.191 2.165 2.220 . 0 0 "[ . 1 . 2]" 1
975 1 55 VAL HA 1 56 ARG H 2.790 . 2.790 2.036 1.936 2.131 . 0 0 "[ . 1 . 2]" 1
976 1 55 VAL HA 1 56 ARG HG2 4.350 . 4.350 3.657 3.365 4.253 . 0 0 "[ . 1 . 2]" 1
977 1 55 VAL HA 1 56 ARG HG3 4.850 . 4.850 4.999 4.906 5.085 0.235 3 0 "[ . 1 . 2]" 1
978 1 55 VAL HB 1 56 ARG H 4.190 . 4.190 3.882 3.617 4.113 . 0 0 "[ . 1 . 2]" 1
979 1 55 VAL HB 1 57 LEU H 5.500 . 5.500 5.597 5.501 5.665 0.165 3 0 "[ . 1 . 2]" 1
980 1 55 VAL QG 1 56 ARG H 3.530 . 3.530 2.491 2.313 2.761 . 0 0 "[ . 1 . 2]" 1
981 1 56 ARG H 1 56 ARG HB2 3.570 . 3.570 2.518 2.442 2.593 . 0 0 "[ . 1 . 2]" 1
982 1 56 ARG H 1 56 ARG HB3 4.150 . 4.150 3.648 3.605 3.673 . 0 0 "[ . 1 . 2]" 1
983 1 56 ARG H 1 56 ARG HG2 4.560 . 4.560 2.990 2.622 3.457 . 0 0 "[ . 1 . 2]" 1
984 1 56 ARG H 1 56 ARG HG3 4.470 . 4.470 4.043 3.794 4.255 . 0 0 "[ . 1 . 2]" 1
985 1 56 ARG H 1 57 LEU H 4.740 . 4.740 4.063 3.985 4.143 . 0 0 "[ . 1 . 2]" 1
986 1 56 ARG HA 1 56 ARG HD2 3.810 . 3.810 2.451 2.174 3.832 0.022 13 0 "[ . 1 . 2]" 1
987 1 56 ARG HA 1 56 ARG HD3 4.200 . 4.200 3.819 3.717 4.000 . 0 0 "[ . 1 . 2]" 1
988 1 56 ARG HA 1 56 ARG HG2 3.620 . 3.620 2.761 2.333 3.074 . 0 0 "[ . 1 . 2]" 1
989 1 56 ARG HA 1 56 ARG HG3 3.690 . 3.690 3.732 3.601 3.799 0.109 17 0 "[ . 1 . 2]" 1
990 1 56 ARG HA 1 57 LEU H 2.700 . 2.700 2.107 1.967 2.205 . 0 0 "[ . 1 . 2]" 1
991 1 56 ARG HA 1 57 LEU QD 5.500 . 5.500 3.739 2.984 4.441 . 0 0 "[ . 1 . 2]" 1
992 1 56 ARG HB2 1 57 LEU H 4.250 . 4.250 3.980 3.735 4.103 . 0 0 "[ . 1 . 2]" 1
993 1 56 ARG HB3 1 56 ARG HD2 3.880 . 3.880 3.090 2.678 3.548 . 0 0 "[ . 1 . 2]" 1
994 1 56 ARG HB3 1 57 LEU H 3.960 . 3.960 3.080 2.663 3.370 . 0 0 "[ . 1 . 2]" 1
995 1 56 ARG HD2 1 57 LEU H 5.500 . 5.500 4.134 3.514 5.535 0.035 13 0 "[ . 1 . 2]" 1
996 1 56 ARG HG2 1 57 LEU H 4.960 . 4.960 4.702 4.234 4.992 0.032 17 0 "[ . 1 . 2]" 1
997 1 57 LEU H 1 57 LEU QB 2.840 . 2.840 2.663 2.418 2.951 0.111 1 0 "[ . 1 . 2]" 1
998 1 57 LEU H 1 57 LEU QD . . 3.970 2.445 1.657 3.140 . 0 0 "[ . 1 . 2]" 1
999 1 57 LEU H 1 57 LEU HG 3.250 . 3.250 2.508 1.822 3.323 0.073 13 0 "[ . 1 . 2]" 1
1000 1 57 LEU H 1 59 GLU QG 5.500 . 5.500 5.942 3.041 9.219 3.719 12 12 "[- *. * **+**.****2]" 1
1001 1 57 LEU HA 1 57 LEU QD . . 3.920 3.094 2.114 3.470 . 0 0 "[ . 1 . 2]" 1
1002 1 57 LEU HA 1 57 LEU HG 3.540 . 3.540 3.518 3.017 3.673 0.133 11 0 "[ . 1 . 2]" 1
1003 1 57 LEU HA 1 58 ILE H 2.750 . 2.750 2.489 2.020 2.792 0.042 9 0 "[ . 1 . 2]" 1
1004 1 57 LEU HA 1 58 ILE HA 5.150 . 5.150 4.283 4.085 4.392 . 0 0 "[ . 1 . 2]" 1
1005 1 57 LEU QB 1 58 ILE H 3.260 . 3.260 2.334 1.716 3.650 0.390 11 0 "[ . 1 . 2]" 1
1006 1 57 LEU QB 1 59 GLU H 4.360 . 4.360 4.884 3.197 6.616 2.256 4 10 "[* +.** *** * * -2]" 1
1007 1 57 LEU QB 1 59 GLU QB 4.900 . 4.900 4.746 3.101 8.016 3.116 4 5 "[* +. - 1** . 2]" 1
1008 1 57 LEU QB 1 59 GLU QG 4.410 . 4.410 5.576 2.120 8.875 4.465 12 14 "[* *.** ***+* .****-]" 1
1009 1 57 LEU QD 1 58 ILE H 4.420 . 4.420 3.419 2.789 4.474 0.054 11 0 "[ . 1 . 2]" 1
1010 1 58 ILE H 1 58 ILE HB 3.670 . 3.670 3.620 2.570 3.821 0.151 7 0 "[ . 1 . 2]" 1
1011 1 58 ILE H 1 58 ILE MD 4.380 . 4.380 3.843 3.211 4.515 0.135 4 0 "[ . 1 . 2]" 1
1012 1 58 ILE H 1 58 ILE HG12 3.960 . 3.960 2.472 1.937 3.684 . 0 0 "[ . 1 . 2]" 1
1013 1 58 ILE H 1 58 ILE HG13 3.780 . 3.780 2.964 1.827 4.005 0.225 7 0 "[ . 1 . 2]" 1
1014 1 58 ILE H 1 58 ILE MG 3.900 . 3.900 2.864 2.256 4.122 0.222 12 0 "[ . 1 . 2]" 1
1015 1 58 ILE H 1 59 GLU H 4.130 . 4.130 3.817 2.482 4.237 0.107 10 0 "[ . 1 . 2]" 1
1016 1 58 ILE HA 1 58 ILE MD 3.940 . 3.940 4.137 3.798 4.250 0.310 11 0 "[ . 1 . 2]" 1
1017 1 58 ILE HA 1 58 ILE HG12 3.930 . 3.930 3.560 2.568 4.254 0.324 6 0 "[ . 1 . 2]" 1
1018 1 58 ILE HA 1 58 ILE MG 3.230 . 3.230 2.284 2.217 2.501 . 0 0 "[ . 1 . 2]" 1
1019 1 58 ILE HA 1 59 GLU H 2.600 . 2.600 2.162 1.849 2.791 0.191 9 0 "[ . 1 . 2]" 1
1020 1 58 ILE HB 1 58 ILE MD 3.380 . 3.380 2.472 2.372 2.531 . 0 0 "[ . 1 . 2]" 1
1021 1 58 ILE HB 1 59 GLU H 3.910 . 3.910 3.845 2.624 4.067 0.157 3 0 "[ . 1 . 2]" 1
1022 1 58 ILE MD 1 59 GLU H 5.060 . 5.060 5.263 4.315 5.565 0.505 7 1 "[ . + 1 . 2]" 1
1023 1 58 ILE HG12 1 59 GLU H 4.930 . 4.930 4.922 3.737 5.666 0.736 6 1 "[ .+ 1 . 2]" 1
1024 1 58 ILE MG 1 59 GLU H 4.030 . 4.030 3.734 2.160 4.173 0.143 3 0 "[ . 1 . 2]" 1
1025 1 59 GLU H 1 59 GLU QB 3.660 . 3.660 2.763 2.182 3.325 . 0 0 "[ . 1 . 2]" 1
1026 1 59 GLU H 1 59 GLU QG 4.110 . 4.110 3.667 2.264 4.394 0.284 13 0 "[ . 1 . 2]" 1
1027 1 59 GLU HA 1 59 GLU QG 3.570 . 3.570 2.909 2.492 3.571 0.001 3 0 "[ . 1 . 2]" 1
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