NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399924 |
1uhc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1uhc
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 1159
_Distance_constraint_stats_list.Viol_count 1271
_Distance_constraint_stats_list.Viol_total 2134.439
_Distance_constraint_stats_list.Viol_max 0.897
_Distance_constraint_stats_list.Viol_rms 0.0389
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0840
_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 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 1.535 0.333 3 0 "[ . 1 . 2]"
1 10 ALA 0.408 0.177 1 0 "[ . 1 . 2]"
1 11 GLU 7.476 0.822 14 5 "[ . *-* +. *]"
1 12 GLY 4.570 0.783 10 5 "[ . -*+ *. *]"
1 13 ASN 0.001 0.001 11 0 "[ . 1 . 2]"
1 14 GLN 1.751 0.416 18 0 "[ . 1 . 2]"
1 15 VAL 2.256 0.605 9 2 "[ . +1 - 2]"
1 16 TYR 6.075 0.769 19 4 "[ . - . * +*]"
1 17 PHE 2.628 0.295 18 0 "[ . 1 . 2]"
1 18 ALA 1.509 0.116 13 0 "[ . 1 . 2]"
1 19 VAL 0.493 0.209 9 0 "[ . 1 . 2]"
1 20 TYR 0.450 0.147 9 0 "[ . 1 . 2]"
1 21 THR 0.494 0.068 9 0 "[ . 1 . 2]"
1 22 PHE 0.813 0.047 16 0 "[ . 1 . 2]"
1 23 LYS 0.888 0.272 11 0 "[ . 1 . 2]"
1 24 ALA 4.217 0.490 18 0 "[ . 1 . 2]"
1 25 ARG 10.818 0.761 20 2 "[ - . 1 . +]"
1 26 ASN 0.910 0.214 15 0 "[ . 1 . 2]"
1 27 PRO 2.684 0.461 17 0 "[ . 1 . 2]"
1 28 ASN 3.947 0.461 17 0 "[ . 1 . 2]"
1 29 GLU 0.749 0.079 17 0 "[ . 1 . 2]"
1 30 LEU 1.989 0.643 17 2 "[ . 1 . + -]"
1 31 SER 2.724 0.427 18 0 "[ . 1 . 2]"
1 32 VAL 1.813 0.427 18 0 "[ . 1 . 2]"
1 33 SER 0.005 0.005 18 0 "[ . 1 . 2]"
1 34 ALA 0.870 0.050 4 0 "[ . 1 . 2]"
1 35 ASN 0.932 0.085 18 0 "[ . 1 . 2]"
1 36 GLN 1.474 0.333 5 0 "[ . 1 . 2]"
1 37 LYS 9.789 0.865 9 6 "[ . -+* ** *2]"
1 38 LEU 5.112 0.400 10 0 "[ . 1 . 2]"
1 39 LYS 14.805 0.716 9 2 "[ . +* . 2]"
1 40 ILE 10.908 0.589 10 2 "[ . -+ . 2]"
1 41 LEU 4.361 0.888 19 2 "[ - . 1 . +2]"
1 42 GLU 4.525 0.888 19 2 "[ - . 1 . +2]"
1 43 PHE 1.141 0.396 19 0 "[ . 1 . 2]"
1 44 LYS 3.020 0.897 5 2 "[ +- 1 . 2]"
1 45 ASP 0.338 0.160 5 0 "[ . 1 . 2]"
1 46 VAL 0.200 0.160 5 0 "[ . 1 . 2]"
1 47 THR 0.687 0.087 3 0 "[ . 1 . 2]"
1 48 GLY 1.927 0.897 5 2 "[ +- 1 . 2]"
1 49 ASN 0.965 0.477 6 0 "[ . 1 . 2]"
1 50 THR 0.861 0.736 8 1 "[ . + 1 . 2]"
1 51 GLU 2.694 0.736 8 1 "[ . + 1 . 2]"
1 52 TRP 1.173 0.477 6 0 "[ . 1 . 2]"
1 53 TRP 0.830 0.066 19 0 "[ . 1 . 2]"
1 54 LEU 2.798 0.425 16 0 "[ . 1 . 2]"
1 55 ALA 0.693 0.130 19 0 "[ . 1 . 2]"
1 56 GLU 0.600 0.048 19 0 "[ . 1 . 2]"
1 57 VAL 0.395 0.079 1 0 "[ . 1 . 2]"
1 58 ASN 0.261 0.105 2 0 "[ . 1 . 2]"
1 59 GLY 0.272 0.105 2 0 "[ . 1 . 2]"
1 60 LYS 0.145 0.057 2 0 "[ . 1 . 2]"
1 61 LYS 1.078 0.218 11 0 "[ . 1 . 2]"
1 62 GLY 2.010 0.643 17 2 "[ . 1 . + -]"
1 63 TYR 0.864 0.076 19 0 "[ . 1 . 2]"
1 64 VAL 1.060 0.076 16 0 "[ . 1 . 2]"
1 65 PRO 5.126 0.322 13 0 "[ . 1 . 2]"
1 66 SER 4.239 0.684 8 1 "[ . + 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 TYR 4.400 0.227 13 0 "[ . 1 . 2]"
1 69 ILE 4.467 0.189 10 0 "[ . 1 . 2]"
1 70 ARG 0.867 0.097 4 0 "[ . 1 . 2]"
1 71 LYS 6.424 0.769 19 5 "[ *. - . * +*]"
1 72 THR 3.455 0.360 11 0 "[ . 1 . 2]"
1 73 GLU 4.922 0.593 7 1 "[ . + 1 . 2]"
1 74 SER 0.564 0.077 12 0 "[ . 1 . 2]"
1 75 GLY 0.407 0.170 18 0 "[ . 1 . 2]"
1 76 PRO 0.170 0.170 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 SER H 1 9 GLU H . . 4.890 3.801 2.212 4.664 . 0 0 "[ . 1 . 2]" 1
2 1 8 SER HB3 1 9 GLU H . . 5.430 3.461 2.375 4.437 . 0 0 "[ . 1 . 2]" 1
3 1 9 GLU H 1 9 GLU HG2 . . 4.790 4.005 2.008 5.123 0.333 3 0 "[ . 1 . 2]" 1
4 1 9 GLU H 1 10 ALA H . . 4.230 3.487 1.884 4.208 . 0 0 "[ . 1 . 2]" 1
5 1 9 GLU HA 1 10 ALA H . . 3.460 2.532 2.211 3.637 0.177 1 0 "[ . 1 . 2]" 1
6 1 9 GLU HB2 1 10 ALA H . . 5.020 4.217 2.861 4.746 . 0 0 "[ . 1 . 2]" 1
7 1 9 GLU HB3 1 9 GLU HG2 . . 3.040 2.542 2.278 2.917 . 0 0 "[ . 1 . 2]" 1
8 1 9 GLU HB3 1 10 ALA H . . 4.890 3.919 2.692 4.736 . 0 0 "[ . 1 . 2]" 1
9 1 9 GLU HG2 1 10 ALA H . . 5.500 4.294 3.026 5.045 . 0 0 "[ . 1 . 2]" 1
10 1 10 ALA H 1 10 ALA MB . . 3.550 2.544 1.972 2.955 . 0 0 "[ . 1 . 2]" 1
11 1 10 ALA HA 1 11 GLU H . . 3.320 2.334 2.190 2.548 . 0 0 "[ . 1 . 2]" 1
12 1 10 ALA MB 1 11 GLU H . . 4.270 3.185 2.341 3.762 . 0 0 "[ . 1 . 2]" 1
13 1 11 GLU H 1 11 GLU HB2 . . 3.720 2.890 2.047 4.058 0.338 16 0 "[ . 1 . 2]" 1
14 1 11 GLU H 1 11 GLU HG3 . . 4.220 3.664 2.376 5.042 0.822 14 1 "[ . 1 +. 2]" 1
15 1 11 GLU H 1 12 GLY HA3 . . 5.400 5.301 4.656 6.148 0.748 9 3 "[ . -+1 . *]" 1
16 1 11 GLU HA 1 12 GLY H . . 3.410 2.388 2.202 3.402 . 0 0 "[ . 1 . 2]" 1
17 1 11 GLU HB2 1 11 GLU HG3 . . 2.980 2.637 2.271 2.899 . 0 0 "[ . 1 . 2]" 1
18 1 11 GLU HB2 1 12 GLY H . . 4.850 4.169 2.665 4.725 . 0 0 "[ . 1 . 2]" 1
19 1 11 GLU HB3 1 11 GLU HG2 . . 2.540 2.480 2.265 3.055 0.515 14 2 "[ . -1 +. 2]" 1
20 1 11 GLU HB3 1 12 GLY H . . 4.840 3.809 2.306 4.451 . 0 0 "[ . 1 . 2]" 1
21 1 11 GLU HG3 1 12 GLY H . . 4.820 4.235 2.570 5.603 0.783 10 2 "[ . + -. 2]" 1
22 1 12 GLY HA2 1 13 ASN H . . 3.540 2.565 2.199 3.402 . 0 0 "[ . 1 . 2]" 1
23 1 13 ASN H 1 13 ASN HB2 . . 4.110 2.729 2.022 3.470 . 0 0 "[ . 1 . 2]" 1
24 1 13 ASN H 1 13 ASN HB3 . . 4.170 3.426 2.782 4.096 . 0 0 "[ . 1 . 2]" 1
25 1 13 ASN HA 1 13 ASN HD21 . . 3.620 2.670 2.410 2.955 . 0 0 "[ . 1 . 2]" 1
26 1 13 ASN HA 1 13 ASN HD22 . . 3.650 3.549 3.439 3.651 0.001 11 0 "[ . 1 . 2]" 1
27 1 13 ASN HB2 1 14 GLN H . . 5.210 4.035 2.639 4.723 . 0 0 "[ . 1 . 2]" 1
28 1 13 ASN HB3 1 14 GLN H . . 4.990 3.111 1.951 4.385 . 0 0 "[ . 1 . 2]" 1
29 1 14 GLN H 1 14 GLN HB2 . . 4.000 3.044 2.184 3.991 . 0 0 "[ . 1 . 2]" 1
30 1 14 GLN H 1 14 GLN HB3 . . 3.620 3.396 2.353 4.036 0.416 18 0 "[ . 1 . 2]" 1
31 1 14 GLN H 1 14 GLN QG . . 3.730 2.669 2.099 3.546 . 0 0 "[ . 1 . 2]" 1
32 1 14 GLN H 1 15 VAL QG . . 5.120 4.164 3.083 4.810 . 0 0 "[ . 1 . 2]" 1
33 1 14 GLN HA 1 14 GLN QG . . 3.520 2.610 2.018 3.362 . 0 0 "[ . 1 . 2]" 1
34 1 14 GLN HA 1 15 VAL H . . 2.910 2.354 2.207 2.464 . 0 0 "[ . 1 . 2]" 1
35 1 14 GLN HA 1 15 VAL QG . . 4.420 3.477 3.112 3.868 . 0 0 "[ . 1 . 2]" 1
36 1 14 GLN HB2 1 16 TYR QE . . 4.490 3.228 1.978 4.375 . 0 0 "[ . 1 . 2]" 1
37 1 14 GLN HB3 1 14 GLN QG . . 2.790 2.422 2.179 2.561 . 0 0 "[ . 1 . 2]" 1
38 1 14 GLN HB3 1 16 TYR QE . . 4.370 2.735 1.997 3.692 . 0 0 "[ . 1 . 2]" 1
39 1 14 GLN HE22 1 14 GLN QG . . 3.750 3.271 3.232 3.386 . 0 0 "[ . 1 . 2]" 1
40 1 14 GLN QG 1 15 VAL H . . 4.410 3.719 2.884 4.199 . 0 0 "[ . 1 . 2]" 1
41 1 15 VAL H 1 15 VAL HB . . 3.480 2.980 2.545 3.550 0.070 6 0 "[ . 1 . 2]" 1
42 1 15 VAL H 1 15 VAL QG . . 3.400 2.829 2.310 3.200 . 0 0 "[ . 1 . 2]" 1
43 1 15 VAL H 1 16 TYR H . . 3.930 3.906 3.681 4.016 0.086 14 0 "[ . 1 . 2]" 1
44 1 15 VAL HA 1 15 VAL QG . . 3.090 2.167 2.019 2.399 . 0 0 "[ . 1 . 2]" 1
45 1 15 VAL HA 1 16 TYR H . . 3.060 2.210 2.182 2.305 . 0 0 "[ . 1 . 2]" 1
46 1 15 VAL HA 1 16 TYR HB2 . . 4.610 4.356 4.248 4.539 . 0 0 "[ . 1 . 2]" 1
47 1 15 VAL HA 1 16 TYR QD . . 4.810 3.212 2.775 4.794 . 0 0 "[ . 1 . 2]" 1
48 1 15 VAL HB 1 16 TYR H . . 4.700 4.450 4.266 4.600 . 0 0 "[ . 1 . 2]" 1
49 1 15 VAL HB 1 16 TYR QD . . 5.000 4.992 4.691 5.082 0.082 4 0 "[ . 1 . 2]" 1
50 1 15 VAL HB 1 72 THR HB . . 4.880 4.733 3.944 4.912 0.032 4 0 "[ . 1 . 2]" 1
51 1 15 VAL HB 1 72 THR MG . . 4.050 3.159 1.919 4.091 0.041 11 0 "[ . 1 . 2]" 1
52 1 15 VAL QG 1 16 TYR H . . 3.480 2.954 2.476 3.321 . 0 0 "[ . 1 . 2]" 1
53 1 15 VAL QG 1 16 TYR HA . . 4.720 3.704 3.361 4.158 . 0 0 "[ . 1 . 2]" 1
54 1 15 VAL QG 1 16 TYR QD . . 5.110 4.058 3.795 4.726 . 0 0 "[ . 1 . 2]" 1
55 1 15 VAL QG 1 17 PHE QD . . 4.670 3.775 3.605 4.063 . 0 0 "[ . 1 . 2]" 1
56 1 15 VAL QG 1 37 LYS HB2 . . 4.470 4.226 3.277 4.460 . 0 0 "[ . 1 . 2]" 1
57 1 15 VAL QG 1 37 LYS HB3 . . 5.500 3.930 3.103 4.580 . 0 0 "[ . 1 . 2]" 1
58 1 15 VAL QG 1 37 LYS QD . . 3.460 2.469 1.866 3.272 . 0 0 "[ . 1 . 2]" 1
59 1 15 VAL QG 1 37 LYS HE3 . . 3.920 2.863 1.851 4.525 0.605 9 2 "[ . +1 - 2]" 1
60 1 15 VAL QG 1 37 LYS HG2 . . 4.150 2.800 2.126 3.990 . 0 0 "[ . 1 . 2]" 1
61 1 15 VAL QG 1 37 LYS HG3 . . 4.120 3.158 2.541 4.081 . 0 0 "[ . 1 . 2]" 1
62 1 15 VAL QG 1 38 LEU H . . 4.700 4.034 3.491 4.545 . 0 0 "[ . 1 . 2]" 1
63 1 15 VAL QG 1 72 THR H . . 4.770 3.780 2.701 4.642 . 0 0 "[ . 1 . 2]" 1
64 1 15 VAL QG 1 72 THR HB . . 4.550 3.457 1.717 4.421 . 0 0 "[ . 1 . 2]" 1
65 1 15 VAL QG 1 72 THR MG . . 3.830 2.079 1.718 2.538 . 0 0 "[ . 1 . 2]" 1
66 1 16 TYR H 1 16 TYR HB2 . . 3.610 2.299 2.168 2.523 . 0 0 "[ . 1 . 2]" 1
67 1 16 TYR H 1 16 TYR HB3 . . 3.770 3.542 3.457 3.683 . 0 0 "[ . 1 . 2]" 1
68 1 16 TYR H 1 16 TYR QD . . 3.850 2.482 2.054 3.629 . 0 0 "[ . 1 . 2]" 1
69 1 16 TYR H 1 17 PHE H . . 4.580 4.518 4.407 4.582 0.002 10 0 "[ . 1 . 2]" 1
70 1 16 TYR H 1 38 LEU H . . 4.240 3.871 3.615 4.232 . 0 0 "[ . 1 . 2]" 1
71 1 16 TYR H 1 39 LYS HA . . 4.820 4.305 3.921 4.809 . 0 0 "[ . 1 . 2]" 1
72 1 16 TYR H 1 71 LYS HA . . 5.500 5.123 4.679 5.505 0.005 16 0 "[ . 1 . 2]" 1
73 1 16 TYR HA 1 16 TYR QD . . 3.610 3.095 1.922 3.214 . 0 0 "[ . 1 . 2]" 1
74 1 16 TYR HA 1 17 PHE H . . 3.050 2.332 2.295 2.385 . 0 0 "[ . 1 . 2]" 1
75 1 16 TYR HA 1 17 PHE QD . . 4.340 3.466 3.175 3.963 . 0 0 "[ . 1 . 2]" 1
76 1 16 TYR HA 1 69 ILE MG . . 4.220 4.248 3.889 4.409 0.189 10 0 "[ . 1 . 2]" 1
77 1 16 TYR HA 1 71 LYS HA . . 3.260 2.622 1.986 3.033 . 0 0 "[ . 1 . 2]" 1
78 1 16 TYR HA 1 72 THR H . . 3.560 3.130 2.760 3.609 0.049 4 0 "[ . 1 . 2]" 1
79 1 16 TYR HA 1 72 THR MG . . 4.820 3.721 2.718 4.741 . 0 0 "[ . 1 . 2]" 1
80 1 16 TYR HB2 1 17 PHE H . . 4.080 4.060 3.902 4.129 0.049 6 0 "[ . 1 . 2]" 1
81 1 16 TYR HB2 1 38 LEU H . . 4.770 4.407 4.038 4.724 . 0 0 "[ . 1 . 2]" 1
82 1 16 TYR HB2 1 38 LEU QD . . 3.730 2.922 2.621 3.555 . 0 0 "[ . 1 . 2]" 1
83 1 16 TYR HB2 1 38 LEU HG . . 5.370 5.304 4.633 5.473 0.103 10 0 "[ . 1 . 2]" 1
84 1 16 TYR HB2 1 40 ILE MD . . 4.120 2.987 2.756 3.280 . 0 0 "[ . 1 . 2]" 1
85 1 16 TYR HB2 1 40 ILE HG12 . . 4.500 2.308 1.995 2.861 . 0 0 "[ . 1 . 2]" 1
86 1 16 TYR HB2 1 69 ILE MG . . 3.690 3.244 2.846 3.714 0.024 13 0 "[ . 1 . 2]" 1
87 1 16 TYR HB3 1 17 PHE H . . 3.830 2.907 2.749 3.012 . 0 0 "[ . 1 . 2]" 1
88 1 16 TYR HB3 1 38 LEU QD . . 3.670 2.937 2.557 3.607 . 0 0 "[ . 1 . 2]" 1
89 1 16 TYR HB3 1 40 ILE MD . . 4.780 3.493 3.125 3.854 . 0 0 "[ . 1 . 2]" 1
90 1 16 TYR HB3 1 40 ILE HG12 . . 4.360 3.707 3.082 4.274 . 0 0 "[ . 1 . 2]" 1
91 1 16 TYR HB3 1 69 ILE MG . . 3.130 2.218 1.860 2.480 . 0 0 "[ . 1 . 2]" 1
92 1 16 TYR QD 1 17 PHE H . . 4.540 4.118 3.685 4.285 . 0 0 "[ . 1 . 2]" 1
93 1 16 TYR QD 1 40 ILE H . . 4.700 4.586 4.316 4.730 0.030 9 0 "[ . 1 . 2]" 1
94 1 16 TYR QD 1 40 ILE HB . . 4.550 4.460 3.732 4.605 0.055 13 0 "[ . 1 . 2]" 1
95 1 16 TYR QD 1 40 ILE MD . . 4.390 4.148 3.188 4.402 0.012 19 0 "[ . 1 . 2]" 1
96 1 16 TYR QD 1 40 ILE HG12 . . 4.120 3.362 2.324 3.727 . 0 0 "[ . 1 . 2]" 1
97 1 16 TYR QD 1 40 ILE HG13 . . 4.530 3.634 2.002 3.940 . 0 0 "[ . 1 . 2]" 1
98 1 16 TYR QD 1 53 TRP HZ3 . . 4.370 3.174 2.779 3.448 . 0 0 "[ . 1 . 2]" 1
99 1 16 TYR QD 1 69 ILE HB . . 4.820 3.847 2.998 4.702 . 0 0 "[ . 1 . 2]" 1
100 1 16 TYR QD 1 69 ILE MG . . 3.020 2.043 1.858 2.715 . 0 0 "[ . 1 . 2]" 1
101 1 16 TYR QD 1 70 ARG HA . . 4.280 4.012 3.732 4.377 0.097 4 0 "[ . 1 . 2]" 1
102 1 16 TYR QD 1 71 LYS H . . 4.940 4.366 3.703 4.861 . 0 0 "[ . 1 . 2]" 1
103 1 16 TYR QD 1 71 LYS HA . . 3.700 3.271 1.967 3.664 . 0 0 "[ . 1 . 2]" 1
104 1 16 TYR QD 1 71 LYS HB2 . . 4.600 3.452 2.498 3.712 . 0 0 "[ . 1 . 2]" 1
105 1 16 TYR QD 1 71 LYS HB3 . . 4.880 4.723 2.715 4.911 0.031 11 0 "[ . 1 . 2]" 1
106 1 16 TYR QE 1 53 TRP HH2 . . 3.890 3.792 3.329 3.903 0.013 6 0 "[ . 1 . 2]" 1
107 1 16 TYR QE 1 53 TRP HZ3 . . 3.970 3.516 2.989 3.911 . 0 0 "[ . 1 . 2]" 1
108 1 16 TYR QE 1 69 ILE MG . . 3.790 3.699 3.317 3.910 0.120 4 0 "[ . 1 . 2]" 1
109 1 16 TYR QE 1 71 LYS HB2 . . 4.100 2.633 2.183 3.052 . 0 0 "[ . 1 . 2]" 1
110 1 16 TYR QE 1 71 LYS HB3 . . 4.270 4.026 1.988 4.284 0.014 11 0 "[ . 1 . 2]" 1
111 1 16 TYR QE 1 71 LYS HD3 . . 4.070 3.445 2.487 4.839 0.769 19 4 "[ . - . * +*]" 1
112 1 16 TYR QE 1 71 LYS QG . . 4.170 3.744 2.730 4.051 . 0 0 "[ . 1 . 2]" 1
113 1 17 PHE H 1 17 PHE HB3 . . 4.000 3.145 3.018 3.274 . 0 0 "[ . 1 . 2]" 1
114 1 17 PHE H 1 17 PHE QD . . 3.960 2.875 2.660 3.109 . 0 0 "[ . 1 . 2]" 1
115 1 17 PHE H 1 69 ILE HA . . 4.790 4.599 3.938 4.795 0.005 11 0 "[ . 1 . 2]" 1
116 1 17 PHE H 1 69 ILE MG . . 3.850 3.748 3.450 3.859 0.009 19 0 "[ . 1 . 2]" 1
117 1 17 PHE H 1 70 ARG H . . 3.790 2.808 2.394 2.963 . 0 0 "[ . 1 . 2]" 1
118 1 17 PHE H 1 70 ARG HB3 . . 5.080 3.476 2.923 5.041 . 0 0 "[ . 1 . 2]" 1
119 1 17 PHE H 1 71 LYS HA . . 4.610 3.939 3.276 4.315 . 0 0 "[ . 1 . 2]" 1
120 1 17 PHE H 1 72 THR H . . 5.030 4.614 3.558 5.007 . 0 0 "[ . 1 . 2]" 1
121 1 17 PHE HA 1 17 PHE QD . . 4.210 3.749 3.695 3.760 . 0 0 "[ . 1 . 2]" 1
122 1 17 PHE HA 1 18 ALA H . . 2.930 2.369 2.297 2.419 . 0 0 "[ . 1 . 2]" 1
123 1 17 PHE HA 1 18 ALA MB . . 4.260 4.033 3.983 4.066 . 0 0 "[ . 1 . 2]" 1
124 1 17 PHE HA 1 37 LYS HA . . 3.210 2.294 1.991 2.615 . 0 0 "[ . 1 . 2]" 1
125 1 17 PHE HA 1 38 LEU H . . 3.690 2.882 2.584 3.056 . 0 0 "[ . 1 . 2]" 1
126 1 17 PHE HA 1 38 LEU QD . . 3.900 2.146 1.692 2.743 . 0 0 "[ . 1 . 2]" 1
127 1 17 PHE HA 1 38 LEU HG . . 3.740 2.629 1.988 4.035 0.295 18 0 "[ . 1 . 2]" 1
128 1 17 PHE HB2 1 18 ALA H . . 3.830 2.802 2.683 3.009 . 0 0 "[ . 1 . 2]" 1
129 1 17 PHE HB2 1 35 ASN HA . . 4.220 3.004 2.787 3.105 . 0 0 "[ . 1 . 2]" 1
130 1 17 PHE HB2 1 37 LYS HA . . 4.380 3.106 2.838 3.667 . 0 0 "[ . 1 . 2]" 1
131 1 17 PHE HB3 1 18 ALA H . . 3.990 3.983 3.886 4.093 0.103 4 0 "[ . 1 . 2]" 1
132 1 17 PHE HB3 1 35 ASN HA . . 4.500 4.472 4.292 4.535 0.035 18 0 "[ . 1 . 2]" 1
133 1 17 PHE HB3 1 37 LYS HA . . 4.000 2.481 2.025 2.879 . 0 0 "[ . 1 . 2]" 1
134 1 17 PHE HB3 1 72 THR MG . . 4.740 4.239 3.446 4.792 0.052 6 0 "[ . 1 . 2]" 1
135 1 17 PHE QD 1 18 ALA H . . 4.490 3.616 3.106 3.834 . 0 0 "[ . 1 . 2]" 1
136 1 17 PHE QD 1 19 VAL HA . . 4.200 3.166 2.253 3.387 . 0 0 "[ . 1 . 2]" 1
137 1 17 PHE QD 1 35 ASN H . . 4.730 3.305 3.002 3.720 . 0 0 "[ . 1 . 2]" 1
138 1 17 PHE QD 1 35 ASN HA . . 3.520 2.351 1.995 2.941 . 0 0 "[ . 1 . 2]" 1
139 1 17 PHE QD 1 37 LYS HA . . 4.660 4.385 3.980 4.693 0.033 14 0 "[ . 1 . 2]" 1
140 1 17 PHE QD 1 70 ARG HB3 . . 5.100 3.543 3.081 4.947 . 0 0 "[ . 1 . 2]" 1
141 1 17 PHE QD 1 72 THR H . . 5.260 3.828 2.355 4.688 . 0 0 "[ . 1 . 2]" 1
142 1 17 PHE QD 1 72 THR HA . . 4.100 3.944 2.544 4.191 0.091 6 0 "[ . 1 . 2]" 1
143 1 17 PHE QD 1 72 THR HB . . 4.580 3.612 2.142 4.620 0.040 13 0 "[ . 1 . 2]" 1
144 1 17 PHE QD 1 72 THR MG . . 3.790 2.730 1.853 3.613 . 0 0 "[ . 1 . 2]" 1
145 1 17 PHE QE 1 19 VAL HA . . 3.760 2.975 1.992 3.777 0.017 10 0 "[ . 1 . 2]" 1
146 1 17 PHE QE 1 19 VAL QG . . 3.970 3.225 2.283 3.505 . 0 0 "[ . 1 . 2]" 1
147 1 17 PHE QE 1 70 ARG HB3 . . 4.610 2.766 2.518 3.618 . 0 0 "[ . 1 . 2]" 1
148 1 17 PHE QE 1 71 LYS H . . 4.830 4.361 4.098 4.846 0.016 6 0 "[ . 1 . 2]" 1
149 1 17 PHE QE 1 72 THR H . . 4.940 3.649 2.855 4.962 0.022 6 0 "[ . 1 . 2]" 1
150 1 17 PHE QE 1 72 THR HA . . 3.640 2.303 1.986 3.319 . 0 0 "[ . 1 . 2]" 1
151 1 17 PHE QE 1 72 THR HB . . 4.510 3.536 1.997 4.520 0.010 11 0 "[ . 1 . 2]" 1
152 1 17 PHE QE 1 72 THR MG . . 3.980 3.063 1.947 4.076 0.096 6 0 "[ . 1 . 2]" 1
153 1 17 PHE HZ 1 70 ARG HB2 . . 4.580 3.880 3.025 4.155 . 0 0 "[ . 1 . 2]" 1
154 1 17 PHE HZ 1 70 ARG HB3 . . 4.600 2.773 2.355 3.122 . 0 0 "[ . 1 . 2]" 1
155 1 17 PHE HZ 1 70 ARG QD . . 4.310 2.728 2.003 4.093 . 0 0 "[ . 1 . 2]" 1
156 1 17 PHE HZ 1 70 ARG QG . . 4.530 3.525 1.970 4.356 . 0 0 "[ . 1 . 2]" 1
157 1 18 ALA H 1 18 ALA MB . . 3.010 2.108 1.972 2.174 . 0 0 "[ . 1 . 2]" 1
158 1 18 ALA H 1 19 VAL H . . 5.500 4.561 3.954 4.651 . 0 0 "[ . 1 . 2]" 1
159 1 18 ALA H 1 35 ASN H . . 4.940 4.319 3.841 4.649 . 0 0 "[ . 1 . 2]" 1
160 1 18 ALA H 1 36 GLN H . . 3.950 3.085 2.459 3.489 . 0 0 "[ . 1 . 2]" 1
161 1 18 ALA H 1 36 GLN HB3 . . 5.070 3.509 3.241 3.792 . 0 0 "[ . 1 . 2]" 1
162 1 18 ALA H 1 37 LYS HA . . 4.700 3.864 3.640 4.101 . 0 0 "[ . 1 . 2]" 1
163 1 18 ALA H 1 38 LEU H . . 4.760 4.704 4.388 4.780 0.020 5 0 "[ . 1 . 2]" 1
164 1 18 ALA H 1 38 LEU QD . . 4.120 2.196 1.825 2.573 . 0 0 "[ . 1 . 2]" 1
165 1 18 ALA H 1 38 LEU HG . . 4.530 3.023 2.540 3.990 . 0 0 "[ . 1 . 2]" 1
166 1 18 ALA HA 1 19 VAL H . . 2.980 2.233 2.187 2.415 . 0 0 "[ . 1 . 2]" 1
167 1 18 ALA HA 1 19 VAL QG . . 3.740 3.366 3.157 3.589 . 0 0 "[ . 1 . 2]" 1
168 1 18 ALA HA 1 20 TYR H . . 4.270 4.037 3.220 4.306 0.036 13 0 "[ . 1 . 2]" 1
169 1 18 ALA HA 1 38 LEU QD . . 4.430 2.977 2.593 3.281 . 0 0 "[ . 1 . 2]" 1
170 1 18 ALA HA 1 69 ILE HA . . 3.500 2.875 2.653 3.459 . 0 0 "[ . 1 . 2]" 1
171 1 18 ALA HA 1 69 ILE MD . . 3.730 3.454 3.282 3.590 . 0 0 "[ . 1 . 2]" 1
172 1 18 ALA HA 1 69 ILE MG . . 4.120 4.103 3.956 4.236 0.116 13 0 "[ . 1 . 2]" 1
173 1 18 ALA MB 1 19 VAL H . . 3.810 3.146 2.889 3.750 . 0 0 "[ . 1 . 2]" 1
174 1 18 ALA MB 1 19 VAL QG . . 4.480 4.115 3.960 4.283 . 0 0 "[ . 1 . 2]" 1
175 1 18 ALA MB 1 20 TYR H . . 3.950 3.230 2.818 3.557 . 0 0 "[ . 1 . 2]" 1
176 1 18 ALA MB 1 32 VAL HB . . 3.570 2.700 2.256 2.986 . 0 0 "[ . 1 . 2]" 1
177 1 18 ALA MB 1 32 VAL QG . . 3.120 2.128 1.768 2.545 . 0 0 "[ . 1 . 2]" 1
178 1 18 ALA MB 1 33 SER H . . 5.280 4.095 3.591 4.440 . 0 0 "[ . 1 . 2]" 1
179 1 18 ALA MB 1 34 ALA HA . . 3.580 2.959 2.678 3.244 . 0 0 "[ . 1 . 2]" 1
180 1 18 ALA MB 1 35 ASN H . . 3.820 3.354 3.018 3.708 . 0 0 "[ . 1 . 2]" 1
181 1 18 ALA MB 1 35 ASN HA . . 4.430 4.448 4.349 4.515 0.085 18 0 "[ . 1 . 2]" 1
182 1 18 ALA MB 1 36 GLN H . . 3.750 2.568 2.285 2.918 . 0 0 "[ . 1 . 2]" 1
183 1 18 ALA MB 1 36 GLN HB2 . . 4.300 4.008 3.610 4.285 . 0 0 "[ . 1 . 2]" 1
184 1 18 ALA MB 1 36 GLN HB3 . . 3.760 2.586 2.141 2.927 . 0 0 "[ . 1 . 2]" 1
185 1 18 ALA MB 1 36 GLN QG . . 4.450 3.727 3.291 4.138 . 0 0 "[ . 1 . 2]" 1
186 1 18 ALA MB 1 38 LEU QD . . 3.320 1.944 1.765 2.164 . 0 0 "[ . 1 . 2]" 1
187 1 18 ALA MB 1 69 ILE MD . . 3.910 3.890 3.652 3.973 0.063 4 0 "[ . 1 . 2]" 1
188 1 19 VAL H 1 19 VAL HB . . 3.670 2.578 2.371 2.728 . 0 0 "[ . 1 . 2]" 1
189 1 19 VAL H 1 19 VAL QG . . 3.160 2.014 1.888 2.312 . 0 0 "[ . 1 . 2]" 1
190 1 19 VAL H 1 20 TYR H . . 3.190 2.593 2.298 2.899 . 0 0 "[ . 1 . 2]" 1
191 1 19 VAL H 1 68 TYR HA . . 4.770 3.312 3.068 4.015 . 0 0 "[ . 1 . 2]" 1
192 1 19 VAL H 1 68 TYR HB2 . . 5.500 4.695 4.152 5.512 0.012 9 0 "[ . 1 . 2]" 1
193 1 19 VAL H 1 68 TYR HB3 . . 5.120 3.379 2.826 4.174 . 0 0 "[ . 1 . 2]" 1
194 1 19 VAL H 1 69 ILE MG . . 5.500 4.975 4.725 5.230 . 0 0 "[ . 1 . 2]" 1
195 1 19 VAL HA 1 19 VAL QG . . 3.310 2.141 2.068 2.282 . 0 0 "[ . 1 . 2]" 1
196 1 19 VAL HA 1 35 ASN H . . 4.130 3.568 2.873 4.182 0.052 14 0 "[ . 1 . 2]" 1
197 1 19 VAL HB 1 20 TYR H . . 3.970 2.662 2.304 4.117 0.147 9 0 "[ . 1 . 2]" 1
198 1 19 VAL HB 1 20 TYR QD . . 4.380 2.566 2.008 4.410 0.030 9 0 "[ . 1 . 2]" 1
199 1 19 VAL HB 1 20 TYR QE . . 5.070 3.175 2.610 5.087 0.017 9 0 "[ . 1 . 2]" 1
200 1 19 VAL HB 1 68 TYR HA . . 4.300 2.836 2.422 4.509 0.209 9 0 "[ . 1 . 2]" 1
201 1 19 VAL QG 1 20 TYR H . . 4.190 3.205 1.980 3.512 . 0 0 "[ . 1 . 2]" 1
202 1 19 VAL QG 1 20 TYR QD . . 3.930 3.020 1.751 3.269 . 0 0 "[ . 1 . 2]" 1
203 1 19 VAL QG 1 20 TYR QE . . 3.900 2.530 2.192 2.865 . 0 0 "[ . 1 . 2]" 1
204 1 19 VAL QG 1 68 TYR HA . . 3.930 2.430 1.913 2.798 . 0 0 "[ . 1 . 2]" 1
205 1 19 VAL QG 1 69 ILE H . . 4.230 2.708 2.359 3.376 . 0 0 "[ . 1 . 2]" 1
206 1 19 VAL QG 1 69 ILE HA . . 3.730 2.995 2.644 3.530 . 0 0 "[ . 1 . 2]" 1
207 1 19 VAL QG 1 70 ARG H . . 4.090 3.300 2.543 3.683 . 0 0 "[ . 1 . 2]" 1
208 1 19 VAL QG 1 70 ARG HB2 . . 3.530 2.227 1.747 2.837 . 0 0 "[ . 1 . 2]" 1
209 1 19 VAL QG 1 70 ARG HB3 . . 4.080 3.412 3.064 3.697 . 0 0 "[ . 1 . 2]" 1
210 1 19 VAL QG 1 70 ARG QD . . 4.110 3.143 1.553 3.447 . 0 0 "[ . 1 . 2]" 1
211 1 19 VAL QG 1 70 ARG QG . . 3.140 1.756 1.611 2.955 . 0 0 "[ . 1 . 2]" 1
212 1 20 TYR H 1 20 TYR HB2 . . 3.870 2.569 2.337 2.790 . 0 0 "[ . 1 . 2]" 1
213 1 20 TYR H 1 20 TYR QD . . 4.230 2.788 2.477 3.529 . 0 0 "[ . 1 . 2]" 1
214 1 20 TYR H 1 21 THR H . . 4.940 4.464 4.367 4.529 . 0 0 "[ . 1 . 2]" 1
215 1 20 TYR H 1 34 ALA HA . . 4.550 4.038 3.736 4.409 . 0 0 "[ . 1 . 2]" 1
216 1 20 TYR H 1 34 ALA MB . . 4.550 4.375 4.088 4.569 0.019 9 0 "[ . 1 . 2]" 1
217 1 20 TYR H 1 35 ASN H . . 5.220 4.614 4.175 5.067 . 0 0 "[ . 1 . 2]" 1
218 1 20 TYR H 1 68 TYR HA . . 4.840 3.628 3.157 3.957 . 0 0 "[ . 1 . 2]" 1
219 1 20 TYR H 1 68 TYR HB2 . . 5.500 4.896 4.281 5.224 . 0 0 "[ . 1 . 2]" 1
220 1 20 TYR H 1 68 TYR HB3 . . 4.440 3.206 2.565 3.587 . 0 0 "[ . 1 . 2]" 1
221 1 20 TYR H 1 68 TYR QD . . 4.480 3.267 2.852 3.844 . 0 0 "[ . 1 . 2]" 1
222 1 20 TYR HA 1 20 TYR QD . . 3.650 2.897 2.567 3.136 . 0 0 "[ . 1 . 2]" 1
223 1 20 TYR HA 1 21 THR H . . 3.110 2.431 2.227 2.666 . 0 0 "[ . 1 . 2]" 1
224 1 20 TYR HA 1 34 ALA HA . . 4.150 3.225 2.809 3.732 . 0 0 "[ . 1 . 2]" 1
225 1 20 TYR HA 1 34 ALA MB . . 3.340 2.273 1.979 2.813 . 0 0 "[ . 1 . 2]" 1
226 1 20 TYR HB2 1 21 THR H . . 4.170 3.658 3.056 4.238 0.068 9 0 "[ . 1 . 2]" 1
227 1 20 TYR HB2 1 68 TYR QD . . 4.140 2.717 2.326 3.300 . 0 0 "[ . 1 . 2]" 1
228 1 20 TYR HB2 1 68 TYR QE . . 4.300 3.080 2.647 3.824 . 0 0 "[ . 1 . 2]" 1
229 1 20 TYR HB3 1 21 THR H . . 3.630 2.709 2.295 3.273 . 0 0 "[ . 1 . 2]" 1
230 1 20 TYR HB3 1 68 TYR QD . . 4.560 4.237 3.262 4.604 0.044 10 0 "[ . 1 . 2]" 1
231 1 20 TYR QD 1 21 THR H . . 4.900 4.080 3.722 4.382 . 0 0 "[ . 1 . 2]" 1
232 1 20 TYR QD 1 68 TYR HA . . 3.590 2.907 2.212 3.487 . 0 0 "[ . 1 . 2]" 1
233 1 20 TYR QD 1 68 TYR QD . . 4.470 3.136 2.350 3.532 . 0 0 "[ . 1 . 2]" 1
234 1 20 TYR QE 1 68 TYR HA . . 4.290 3.947 3.524 4.274 . 0 0 "[ . 1 . 2]" 1
235 1 21 THR H 1 21 THR HB . . 3.070 2.234 2.039 2.427 . 0 0 "[ . 1 . 2]" 1
236 1 21 THR H 1 21 THR MG . . 4.300 3.645 3.534 3.715 . 0 0 "[ . 1 . 2]" 1
237 1 21 THR H 1 22 PHE H . . 5.020 4.414 4.204 4.635 . 0 0 "[ . 1 . 2]" 1
238 1 21 THR H 1 34 ALA H . . 4.350 4.050 3.778 4.380 0.030 9 0 "[ . 1 . 2]" 1
239 1 21 THR H 1 34 ALA HA . . 4.520 3.655 3.348 4.148 . 0 0 "[ . 1 . 2]" 1
240 1 21 THR H 1 34 ALA MB . . 3.370 2.239 1.931 2.582 . 0 0 "[ . 1 . 2]" 1
241 1 21 THR HA 1 21 THR MG . . 3.320 2.526 2.397 2.675 . 0 0 "[ . 1 . 2]" 1
242 1 21 THR HA 1 22 PHE H . . 2.880 2.174 2.150 2.229 . 0 0 "[ . 1 . 2]" 1
243 1 21 THR HA 1 32 VAL H . . 5.200 5.211 5.100 5.258 0.058 5 0 "[ . 1 . 2]" 1
244 1 21 THR HA 1 32 VAL QG . . 4.480 4.067 3.797 4.288 . 0 0 "[ . 1 . 2]" 1
245 1 21 THR HA 1 33 SER HA . . 3.330 2.440 2.089 2.796 . 0 0 "[ . 1 . 2]" 1
246 1 21 THR HA 1 33 SER QB . . 4.480 4.032 3.684 4.258 . 0 0 "[ . 1 . 2]" 1
247 1 21 THR HA 1 34 ALA H . . 3.510 2.904 2.693 3.176 . 0 0 "[ . 1 . 2]" 1
248 1 21 THR HA 1 34 ALA MB . . 4.170 3.221 3.060 3.411 . 0 0 "[ . 1 . 2]" 1
249 1 21 THR HB 1 22 PHE H . . 5.200 4.576 4.404 4.701 . 0 0 "[ . 1 . 2]" 1
250 1 21 THR HB 1 34 ALA H . . 5.100 4.057 3.809 4.334 . 0 0 "[ . 1 . 2]" 1
251 1 21 THR MG 1 22 PHE H . . 3.500 3.167 2.593 3.453 . 0 0 "[ . 1 . 2]" 1
252 1 21 THR MG 1 22 PHE HA . . 4.300 3.938 3.381 4.309 0.009 17 0 "[ . 1 . 2]" 1
253 1 21 THR MG 1 33 SER HA . . 3.270 2.339 1.954 3.048 . 0 0 "[ . 1 . 2]" 1
254 1 21 THR MG 1 33 SER QB . . 4.700 3.274 2.451 4.074 . 0 0 "[ . 1 . 2]" 1
255 1 21 THR MG 1 34 ALA H . . 4.050 3.231 2.596 3.709 . 0 0 "[ . 1 . 2]" 1
256 1 22 PHE H 1 22 PHE HB2 . . 4.020 2.779 2.562 3.134 . 0 0 "[ . 1 . 2]" 1
257 1 22 PHE H 1 22 PHE HB3 . . 3.860 2.304 2.148 2.547 . 0 0 "[ . 1 . 2]" 1
258 1 22 PHE H 1 22 PHE QD . . 5.070 4.079 3.991 4.208 . 0 0 "[ . 1 . 2]" 1
259 1 22 PHE H 1 23 LYS H . . 5.000 4.547 4.436 4.605 . 0 0 "[ . 1 . 2]" 1
260 1 22 PHE H 1 32 VAL H . . 3.860 3.489 3.173 3.743 . 0 0 "[ . 1 . 2]" 1
261 1 22 PHE H 1 32 VAL QG . . 3.800 2.750 2.340 3.256 . 0 0 "[ . 1 . 2]" 1
262 1 22 PHE H 1 33 SER H . . 5.300 4.730 4.488 5.084 . 0 0 "[ . 1 . 2]" 1
263 1 22 PHE H 1 33 SER HA . . 4.430 3.272 2.965 3.660 . 0 0 "[ . 1 . 2]" 1
264 1 22 PHE H 1 34 ALA H . . 4.810 4.833 4.798 4.857 0.047 16 0 "[ . 1 . 2]" 1
265 1 22 PHE HA 1 22 PHE QD . . 3.460 2.791 2.428 3.216 . 0 0 "[ . 1 . 2]" 1
266 1 22 PHE HA 1 23 LYS H . . 2.890 2.417 2.207 2.550 . 0 0 "[ . 1 . 2]" 1
267 1 22 PHE HA 1 68 TYR QE . . 3.960 3.767 3.274 3.984 0.024 18 0 "[ . 1 . 2]" 1
268 1 22 PHE HB2 1 23 LYS H . . 4.730 3.955 3.761 4.330 . 0 0 "[ . 1 . 2]" 1
269 1 22 PHE HB2 1 32 VAL H . . 4.760 4.468 3.982 4.720 . 0 0 "[ . 1 . 2]" 1
270 1 22 PHE HB2 1 32 VAL QG . . 3.790 3.021 2.629 3.287 . 0 0 "[ . 1 . 2]" 1
271 1 22 PHE HB2 1 68 TYR QD . . 3.970 2.474 2.104 2.771 . 0 0 "[ . 1 . 2]" 1
272 1 22 PHE HB2 1 68 TYR QE . . 4.020 3.794 3.242 4.031 0.011 3 0 "[ . 1 . 2]" 1
273 1 22 PHE HB3 1 23 LYS H . . 5.290 3.862 3.514 4.334 . 0 0 "[ . 1 . 2]" 1
274 1 22 PHE HB3 1 32 VAL H . . 4.210 2.762 2.249 3.078 . 0 0 "[ . 1 . 2]" 1
275 1 22 PHE HB3 1 32 VAL QG . . 3.350 1.888 1.764 2.018 . 0 0 "[ . 1 . 2]" 1
276 1 22 PHE HB3 1 64 VAL MG1 . . 4.600 3.391 3.046 3.697 . 0 0 "[ . 1 . 2]" 1
277 1 22 PHE HB3 1 65 PRO HD2 . . 4.690 4.588 4.198 4.713 0.023 12 0 "[ . 1 . 2]" 1
278 1 22 PHE HB3 1 68 TYR QD . . 4.470 4.061 3.576 4.430 . 0 0 "[ . 1 . 2]" 1
279 1 22 PHE QD 1 23 LYS H . . 4.160 2.936 2.505 3.694 . 0 0 "[ . 1 . 2]" 1
280 1 22 PHE QD 1 31 SER HA . . 3.830 2.692 2.053 3.291 . 0 0 "[ . 1 . 2]" 1
281 1 22 PHE QD 1 32 VAL H . . 4.370 2.645 2.147 3.031 . 0 0 "[ . 1 . 2]" 1
282 1 22 PHE QD 1 32 VAL QG . . 3.970 2.297 1.947 2.687 . 0 0 "[ . 1 . 2]" 1
283 1 22 PHE QD 1 64 VAL MG1 . . 3.810 2.677 2.264 2.971 . 0 0 "[ . 1 . 2]" 1
284 1 22 PHE QD 1 65 PRO HD3 . . 4.850 3.697 2.674 4.061 . 0 0 "[ . 1 . 2]" 1
285 1 22 PHE QD 1 65 PRO HG2 . . 4.070 3.583 3.011 4.085 0.015 14 0 "[ . 1 . 2]" 1
286 1 22 PHE QD 1 68 TYR QE . . 3.930 3.219 2.277 3.676 . 0 0 "[ . 1 . 2]" 1
287 1 22 PHE QE 1 24 ALA HA . . 3.670 2.878 2.234 3.482 . 0 0 "[ . 1 . 2]" 1
288 1 22 PHE QE 1 24 ALA MB . . 4.080 3.434 2.702 4.040 . 0 0 "[ . 1 . 2]" 1
289 1 22 PHE QE 1 25 ARG H . . 5.020 4.466 3.844 5.027 0.007 15 0 "[ . 1 . 2]" 1
290 1 22 PHE QE 1 25 ARG HD3 . . 4.840 4.293 3.274 4.846 0.006 2 0 "[ . 1 . 2]" 1
291 1 22 PHE QE 1 29 GLU HB2 . . 4.380 4.112 3.341 4.398 0.018 4 0 "[ . 1 . 2]" 1
292 1 22 PHE QE 1 29 GLU HB3 . . 3.910 2.606 2.119 2.934 . 0 0 "[ . 1 . 2]" 1
293 1 22 PHE QE 1 29 GLU QG . . 4.870 4.073 3.076 4.555 . 0 0 "[ . 1 . 2]" 1
294 1 22 PHE QE 1 30 LEU H . . 4.170 3.195 2.400 3.701 . 0 0 "[ . 1 . 2]" 1
295 1 22 PHE QE 1 52 TRP HZ3 . . 4.590 3.355 2.360 3.751 . 0 0 "[ . 1 . 2]" 1
296 1 22 PHE QE 1 64 VAL HA . . 3.960 3.549 2.891 3.893 . 0 0 "[ . 1 . 2]" 1
297 1 22 PHE QE 1 65 PRO HD3 . . 3.670 3.088 2.185 3.579 . 0 0 "[ . 1 . 2]" 1
298 1 22 PHE QE 1 65 PRO HG3 . . 4.260 2.713 1.993 3.487 . 0 0 "[ . 1 . 2]" 1
299 1 22 PHE HZ 1 24 ALA HA . . 5.000 3.640 2.766 4.295 . 0 0 "[ . 1 . 2]" 1
300 1 22 PHE HZ 1 25 ARG HD3 . . 4.940 4.315 2.622 4.958 0.018 17 0 "[ . 1 . 2]" 1
301 1 22 PHE HZ 1 29 GLU HB3 . . 5.220 3.249 2.498 4.035 . 0 0 "[ . 1 . 2]" 1
302 1 22 PHE HZ 1 29 GLU QG . . 5.220 3.745 2.407 4.655 . 0 0 "[ . 1 . 2]" 1
303 1 22 PHE HZ 1 52 TRP HH2 . . 4.250 2.997 2.159 3.930 . 0 0 "[ . 1 . 2]" 1
304 1 22 PHE HZ 1 52 TRP HZ3 . . 4.340 2.699 2.042 3.209 . 0 0 "[ . 1 . 2]" 1
305 1 22 PHE HZ 1 65 PRO HD3 . . 4.660 3.294 2.978 3.800 . 0 0 "[ . 1 . 2]" 1
306 1 23 LYS H 1 23 LYS HB2 . . 3.610 2.839 2.342 3.320 . 0 0 "[ . 1 . 2]" 1
307 1 23 LYS H 1 23 LYS HB3 . . 3.700 3.145 2.669 3.475 . 0 0 "[ . 1 . 2]" 1
308 1 23 LYS H 1 23 LYS HG3 . . 4.910 4.536 3.812 4.957 0.047 4 0 "[ . 1 . 2]" 1
309 1 23 LYS H 1 24 ALA H . . 5.330 4.371 4.204 4.530 . 0 0 "[ . 1 . 2]" 1
310 1 23 LYS HA 1 23 LYS HD2 . . 4.450 3.577 2.228 4.570 0.120 1 0 "[ . 1 . 2]" 1
311 1 23 LYS HA 1 23 LYS HG3 . . 3.640 2.644 2.001 3.474 . 0 0 "[ . 1 . 2]" 1
312 1 23 LYS HA 1 24 ALA H . . 2.890 2.281 2.185 2.389 . 0 0 "[ . 1 . 2]" 1
313 1 23 LYS HA 1 24 ALA MB . . 4.010 3.949 3.906 4.011 0.001 7 0 "[ . 1 . 2]" 1
314 1 23 LYS HA 1 31 SER HA . . 3.730 2.747 2.155 3.531 . 0 0 "[ . 1 . 2]" 1
315 1 23 LYS HA 1 31 SER HB2 . . 3.800 2.989 2.024 4.014 0.214 20 0 "[ . 1 . 2]" 1
316 1 23 LYS HA 1 31 SER HB3 . . 4.170 3.064 2.031 3.950 . 0 0 "[ . 1 . 2]" 1
317 1 23 LYS HA 1 32 VAL H . . 4.590 3.524 3.018 3.973 . 0 0 "[ . 1 . 2]" 1
318 1 23 LYS HB2 1 24 ALA H . . 4.960 4.320 4.119 4.676 . 0 0 "[ . 1 . 2]" 1
319 1 23 LYS HB3 1 24 ALA H . . 4.730 3.632 2.924 4.186 . 0 0 "[ . 1 . 2]" 1
320 1 23 LYS HD3 1 24 ALA H . . 5.250 4.443 2.807 5.522 0.272 11 0 "[ . 1 . 2]" 1
321 1 23 LYS HG2 1 24 ALA H . . 4.720 3.386 2.265 4.373 . 0 0 "[ . 1 . 2]" 1
322 1 24 ALA H 1 24 ALA MB . . 3.040 2.180 2.145 2.215 . 0 0 "[ . 1 . 2]" 1
323 1 24 ALA H 1 25 ARG H . . 5.190 4.520 4.153 4.603 . 0 0 "[ . 1 . 2]" 1
324 1 24 ALA H 1 25 ARG HD2 . . 4.660 4.507 4.290 4.679 0.019 7 0 "[ . 1 . 2]" 1
325 1 24 ALA H 1 25 ARG HD3 . . 4.350 4.459 4.140 4.840 0.490 18 0 "[ . 1 . 2]" 1
326 1 24 ALA H 1 29 GLU HB2 . . 5.500 5.387 4.600 5.568 0.068 16 0 "[ . 1 . 2]" 1
327 1 24 ALA H 1 31 SER HA . . 3.700 2.875 2.228 3.242 . 0 0 "[ . 1 . 2]" 1
328 1 24 ALA H 1 31 SER HB2 . . 4.300 3.141 1.969 4.072 . 0 0 "[ . 1 . 2]" 1
329 1 24 ALA H 1 31 SER HB3 . . 4.760 2.399 1.944 3.378 . 0 0 "[ . 1 . 2]" 1
330 1 24 ALA H 1 32 VAL H . . 4.790 4.746 4.307 4.815 0.025 20 0 "[ . 1 . 2]" 1
331 1 24 ALA HA 1 25 ARG H . . 2.910 2.272 2.186 2.576 . 0 0 "[ . 1 . 2]" 1
332 1 24 ALA HA 1 26 ASN H . . 3.760 3.629 3.207 3.974 0.214 15 0 "[ . 1 . 2]" 1
333 1 24 ALA HA 1 29 GLU H . . 5.500 5.126 4.590 5.546 0.046 20 0 "[ . 1 . 2]" 1
334 1 24 ALA HA 1 29 GLU HB2 . . 3.750 2.868 2.175 3.230 . 0 0 "[ . 1 . 2]" 1
335 1 24 ALA HA 1 29 GLU HB3 . . 3.770 2.602 2.020 3.217 . 0 0 "[ . 1 . 2]" 1
336 1 24 ALA HA 1 30 LEU H . . 5.500 4.424 3.523 5.009 . 0 0 "[ . 1 . 2]" 1
337 1 24 ALA MB 1 25 ARG H . . 3.620 3.048 2.256 3.641 0.021 9 0 "[ . 1 . 2]" 1
338 1 24 ALA MB 1 26 ASN H . . 3.570 3.332 2.838 3.669 0.099 7 0 "[ . 1 . 2]" 1
339 1 24 ALA MB 1 29 GLU H . . 4.170 3.676 3.084 3.996 . 0 0 "[ . 1 . 2]" 1
340 1 24 ALA MB 1 29 GLU HB2 . . 3.230 2.581 1.972 3.025 . 0 0 "[ . 1 . 2]" 1
341 1 24 ALA MB 1 29 GLU HB3 . . 3.580 2.921 2.067 3.540 . 0 0 "[ . 1 . 2]" 1
342 1 24 ALA MB 1 30 LEU H . . 4.220 3.430 2.573 3.953 . 0 0 "[ . 1 . 2]" 1
343 1 24 ALA MB 1 30 LEU HA . . 3.990 2.681 2.241 3.006 . 0 0 "[ . 1 . 2]" 1
344 1 24 ALA MB 1 31 SER H . . 3.620 2.767 2.493 3.425 . 0 0 "[ . 1 . 2]" 1
345 1 24 ALA MB 1 31 SER HA . . 4.130 3.056 2.583 3.541 . 0 0 "[ . 1 . 2]" 1
346 1 24 ALA MB 1 32 VAL H . . 5.270 4.983 4.595 5.278 0.008 13 0 "[ . 1 . 2]" 1
347 1 25 ARG H 1 25 ARG HB2 . . 3.900 2.710 2.187 3.591 . 0 0 "[ . 1 . 2]" 1
348 1 25 ARG H 1 25 ARG HB3 . . 3.970 3.653 3.474 3.864 . 0 0 "[ . 1 . 2]" 1
349 1 25 ARG H 1 25 ARG HD2 . . 5.030 3.607 2.937 4.904 . 0 0 "[ . 1 . 2]" 1
350 1 25 ARG H 1 25 ARG HD3 . . 4.320 2.785 1.923 3.625 . 0 0 "[ . 1 . 2]" 1
351 1 25 ARG H 1 25 ARG HG2 . . 5.490 3.477 1.918 5.033 . 0 0 "[ . 1 . 2]" 1
352 1 25 ARG H 1 26 ASN H . . 3.210 1.986 1.765 2.435 . 0 0 "[ . 1 . 2]" 1
353 1 25 ARG H 1 29 GLU H . . 5.390 4.850 3.955 5.346 . 0 0 "[ . 1 . 2]" 1
354 1 25 ARG H 1 29 GLU HB2 . . 4.360 2.696 2.130 3.246 . 0 0 "[ . 1 . 2]" 1
355 1 25 ARG H 1 29 GLU HB3 . . 4.780 3.429 2.890 4.068 . 0 0 "[ . 1 . 2]" 1
356 1 25 ARG HA 1 25 ARG HD2 . . 4.710 2.985 1.998 4.082 . 0 0 "[ . 1 . 2]" 1
357 1 25 ARG HA 1 25 ARG HD3 . . 4.610 3.462 2.993 4.118 . 0 0 "[ . 1 . 2]" 1
358 1 25 ARG HA 1 25 ARG HG3 . . 3.480 2.976 2.119 4.241 0.761 20 2 "[ - . 1 . +]" 1
359 1 25 ARG HB2 1 25 ARG HG2 . . 3.020 2.565 2.441 2.773 . 0 0 "[ . 1 . 2]" 1
360 1 25 ARG HB2 1 26 ASN H . . 4.380 3.210 2.853 4.216 . 0 0 "[ . 1 . 2]" 1
361 1 25 ARG HB2 1 26 ASN HD21 . . 5.500 4.742 2.587 5.482 . 0 0 "[ . 1 . 2]" 1
362 1 25 ARG HB2 1 26 ASN HD22 . . 5.500 3.858 2.323 4.514 . 0 0 "[ . 1 . 2]" 1
363 1 25 ARG HB3 1 25 ARG HD2 . . 4.010 3.521 2.080 4.240 0.230 16 0 "[ . 1 . 2]" 1
364 1 25 ARG HB3 1 25 ARG HD3 . . 4.220 3.621 3.340 3.865 . 0 0 "[ . 1 . 2]" 1
365 1 25 ARG HB3 1 25 ARG HG2 . . 2.750 2.649 2.280 3.055 0.305 8 0 "[ . 1 . 2]" 1
366 1 25 ARG HB3 1 25 ARG HG3 . . 2.940 2.565 2.441 2.774 . 0 0 "[ . 1 . 2]" 1
367 1 25 ARG HG2 1 26 ASN H . . 5.500 4.746 3.442 5.526 0.026 18 0 "[ . 1 . 2]" 1
368 1 26 ASN H 1 26 ASN HD21 . . 5.460 3.804 1.937 4.705 . 0 0 "[ . 1 . 2]" 1
369 1 26 ASN H 1 26 ASN HD22 . . 5.450 4.049 3.005 4.631 . 0 0 "[ . 1 . 2]" 1
370 1 26 ASN H 1 28 ASN H . . 5.390 4.191 3.788 4.767 . 0 0 "[ . 1 . 2]" 1
371 1 26 ASN H 1 29 GLU H . . 4.160 3.635 3.292 4.179 0.019 16 0 "[ . 1 . 2]" 1
372 1 26 ASN H 1 29 GLU HB2 . . 3.830 2.282 1.936 2.563 . 0 0 "[ . 1 . 2]" 1
373 1 26 ASN H 1 29 GLU HB3 . . 4.460 3.763 3.251 4.163 . 0 0 "[ . 1 . 2]" 1
374 1 26 ASN H 1 29 GLU QG . . 4.500 3.117 2.427 3.724 . 0 0 "[ . 1 . 2]" 1
375 1 26 ASN HA 1 27 PRO HA . . 4.430 4.387 4.385 4.389 . 0 0 "[ . 1 . 2]" 1
376 1 26 ASN HA 1 27 PRO HD2 . . 3.310 2.915 2.859 2.964 . 0 0 "[ . 1 . 2]" 1
377 1 26 ASN HA 1 27 PRO HD3 . . 2.870 2.149 2.111 2.184 . 0 0 "[ . 1 . 2]" 1
378 1 26 ASN QB 1 27 PRO HD2 . . 3.450 1.969 1.924 2.068 . 0 0 "[ . 1 . 2]" 1
379 1 26 ASN QB 1 27 PRO HD3 . . 3.690 2.738 2.663 2.833 . 0 0 "[ . 1 . 2]" 1
380 1 26 ASN QB 1 28 ASN H . . 4.500 2.304 1.975 3.119 . 0 0 "[ . 1 . 2]" 1
381 1 26 ASN QB 1 29 GLU H . . 5.340 2.854 2.044 3.787 . 0 0 "[ . 1 . 2]" 1
382 1 26 ASN QB 1 29 GLU QG . . 4.460 2.565 1.963 3.410 . 0 0 "[ . 1 . 2]" 1
383 1 26 ASN HD21 1 29 GLU QG . . 5.500 3.364 1.939 4.952 . 0 0 "[ . 1 . 2]" 1
384 1 26 ASN HD22 1 29 GLU QG . . 5.500 3.601 2.798 4.618 . 0 0 "[ . 1 . 2]" 1
385 1 27 PRO HA 1 29 GLU H . . 4.340 3.914 3.485 4.419 0.079 17 0 "[ . 1 . 2]" 1
386 1 27 PRO HB2 1 28 ASN H . . 4.500 4.062 3.623 4.454 . 0 0 "[ . 1 . 2]" 1
387 1 27 PRO HD2 1 28 ASN H . . 4.320 2.991 2.321 4.220 . 0 0 "[ . 1 . 2]" 1
388 1 27 PRO HD3 1 28 ASN H . . 4.690 4.013 3.666 4.756 0.066 17 0 "[ . 1 . 2]" 1
389 1 27 PRO HG3 1 28 ASN H . . 5.170 4.890 4.335 5.631 0.461 17 0 "[ . 1 . 2]" 1
390 1 28 ASN H 1 28 ASN HB2 . . 3.800 2.727 2.303 3.778 . 0 0 "[ . 1 . 2]" 1
391 1 28 ASN H 1 28 ASN HB3 . . 3.790 3.621 3.060 3.883 0.093 18 0 "[ . 1 . 2]" 1
392 1 28 ASN H 1 28 ASN HD21 . . 5.370 4.191 3.404 4.994 . 0 0 "[ . 1 . 2]" 1
393 1 28 ASN H 1 28 ASN HD22 . . 5.320 4.824 3.855 5.416 0.096 18 0 "[ . 1 . 2]" 1
394 1 28 ASN H 1 29 GLU H . . 3.230 2.186 1.843 2.705 . 0 0 "[ . 1 . 2]" 1
395 1 28 ASN H 1 29 GLU HB2 . . 4.800 3.971 3.407 4.604 . 0 0 "[ . 1 . 2]" 1
396 1 28 ASN HB2 1 28 ASN HD22 . . 3.990 3.705 3.446 4.157 0.167 18 0 "[ . 1 . 2]" 1
397 1 28 ASN HB2 1 29 GLU H . . 5.210 3.445 2.654 4.537 . 0 0 "[ . 1 . 2]" 1
398 1 28 ASN HB2 1 63 TYR QD . . 4.170 3.406 2.103 4.178 0.008 13 0 "[ . 1 . 2]" 1
399 1 28 ASN HB3 1 28 ASN HD22 . . 3.950 3.737 3.447 4.087 0.137 13 0 "[ . 1 . 2]" 1
400 1 28 ASN HB3 1 29 GLU H . . 5.080 4.078 3.328 4.706 . 0 0 "[ . 1 . 2]" 1
401 1 28 ASN HB3 1 63 TYR QD . . 4.170 2.585 1.996 3.998 . 0 0 "[ . 1 . 2]" 1
402 1 29 GLU H 1 29 GLU HB2 . . 3.390 2.482 2.196 2.910 . 0 0 "[ . 1 . 2]" 1
403 1 29 GLU H 1 29 GLU HB3 . . 4.100 3.626 3.453 3.906 . 0 0 "[ . 1 . 2]" 1
404 1 29 GLU H 1 29 GLU QG . . 4.140 2.890 2.031 3.835 . 0 0 "[ . 1 . 2]" 1
405 1 29 GLU H 1 30 LEU H . . 5.340 4.545 4.257 4.665 . 0 0 "[ . 1 . 2]" 1
406 1 29 GLU H 1 62 GLY HA2 . . 5.500 4.939 4.317 5.410 . 0 0 "[ . 1 . 2]" 1
407 1 29 GLU H 1 63 TYR H . . 5.470 4.351 3.623 4.714 . 0 0 "[ . 1 . 2]" 1
408 1 29 GLU HA 1 29 GLU QG . . 3.300 2.353 2.132 2.649 . 0 0 "[ . 1 . 2]" 1
409 1 29 GLU HA 1 30 LEU H . . 3.130 2.397 2.272 2.660 . 0 0 "[ . 1 . 2]" 1
410 1 29 GLU HA 1 62 GLY HA2 . . 4.720 3.732 3.125 4.712 . 0 0 "[ . 1 . 2]" 1
411 1 29 GLU HA 1 62 GLY HA3 . . 4.550 3.430 2.958 3.911 . 0 0 "[ . 1 . 2]" 1
412 1 29 GLU HA 1 63 TYR H . . 3.160 2.322 1.952 2.690 . 0 0 "[ . 1 . 2]" 1
413 1 29 GLU HA 1 63 TYR HB2 . . 3.810 2.913 2.666 3.252 . 0 0 "[ . 1 . 2]" 1
414 1 29 GLU HA 1 63 TYR HB3 . . 4.540 4.247 3.875 4.579 0.039 16 0 "[ . 1 . 2]" 1
415 1 29 GLU HB2 1 30 LEU H . . 4.130 3.940 3.456 4.155 0.025 7 0 "[ . 1 . 2]" 1
416 1 29 GLU HB3 1 30 LEU H . . 4.030 2.751 2.125 3.089 . 0 0 "[ . 1 . 2]" 1
417 1 29 GLU HB3 1 63 TYR H . . 5.110 4.798 4.262 5.142 0.032 20 0 "[ . 1 . 2]" 1
418 1 29 GLU QG 1 30 LEU H . . 4.280 3.863 3.213 4.085 . 0 0 "[ . 1 . 2]" 1
419 1 29 GLU QG 1 63 TYR H . . 4.630 3.815 3.145 4.482 . 0 0 "[ . 1 . 2]" 1
420 1 29 GLU QG 1 63 TYR HB2 . . 4.500 3.004 2.073 4.003 . 0 0 "[ . 1 . 2]" 1
421 1 30 LEU H 1 30 LEU HB2 . . 3.910 3.243 2.912 3.536 . 0 0 "[ . 1 . 2]" 1
422 1 30 LEU H 1 30 LEU HB3 . . 3.590 2.431 2.277 2.938 . 0 0 "[ . 1 . 2]" 1
423 1 30 LEU H 1 30 LEU QD . . 4.580 3.689 3.481 3.894 . 0 0 "[ . 1 . 2]" 1
424 1 30 LEU H 1 62 GLY HA2 . . 5.500 4.260 3.772 5.371 . 0 0 "[ . 1 . 2]" 1
425 1 30 LEU H 1 62 GLY HA3 . . 4.970 2.970 2.472 3.874 . 0 0 "[ . 1 . 2]" 1
426 1 30 LEU H 1 63 TYR H . . 4.170 3.648 3.111 4.193 0.023 17 0 "[ . 1 . 2]" 1
427 1 30 LEU H 1 64 VAL H . . 5.370 5.087 4.663 5.377 0.007 16 0 "[ . 1 . 2]" 1
428 1 30 LEU H 1 64 VAL MG1 . . 4.000 3.519 3.119 3.759 . 0 0 "[ . 1 . 2]" 1
429 1 30 LEU H 1 64 VAL MG2 . . 4.400 3.537 3.096 3.796 . 0 0 "[ . 1 . 2]" 1
430 1 30 LEU HA 1 30 LEU QD . . 3.000 2.715 1.881 2.940 . 0 0 "[ . 1 . 2]" 1
431 1 30 LEU HA 1 30 LEU HG . . 4.010 3.075 2.877 3.680 . 0 0 "[ . 1 . 2]" 1
432 1 30 LEU HA 1 31 SER H . . 2.960 2.263 2.202 2.356 . 0 0 "[ . 1 . 2]" 1
433 1 30 LEU HA 1 62 GLY HA2 . . 4.910 4.848 4.334 5.010 0.100 15 0 "[ . 1 . 2]" 1
434 1 30 LEU HA 1 62 GLY HA3 . . 4.800 3.306 2.670 3.666 . 0 0 "[ . 1 . 2]" 1
435 1 30 LEU HB2 1 62 GLY H . . 4.660 3.443 2.536 4.084 . 0 0 "[ . 1 . 2]" 1
436 1 30 LEU HB2 1 62 GLY HA2 . . 3.650 3.551 3.304 3.685 0.035 18 0 "[ . 1 . 2]" 1
437 1 30 LEU HB2 1 62 GLY HA3 . . 3.680 1.971 1.817 2.000 . 0 0 "[ . 1 . 2]" 1
438 1 30 LEU HB2 1 63 TYR H . . 5.030 4.695 3.451 5.056 0.026 13 0 "[ . 1 . 2]" 1
439 1 30 LEU HB3 1 31 SER H . . 4.870 4.243 3.617 4.415 . 0 0 "[ . 1 . 2]" 1
440 1 30 LEU HB3 1 32 VAL QG . . 4.700 3.686 2.681 3.957 . 0 0 "[ . 1 . 2]" 1
441 1 30 LEU HB3 1 62 GLY HA2 . . 4.410 4.000 3.724 5.053 0.643 17 2 "[ . 1 . + -]" 1
442 1 30 LEU HB3 1 62 GLY HA3 . . 4.150 2.381 1.999 3.566 . 0 0 "[ . 1 . 2]" 1
443 1 30 LEU HB3 1 63 TYR H . . 5.500 4.420 3.958 5.047 . 0 0 "[ . 1 . 2]" 1
444 1 30 LEU HB3 1 64 VAL MG1 . . 3.880 3.597 2.417 3.914 0.034 15 0 "[ . 1 . 2]" 1
445 1 30 LEU HB3 1 64 VAL MG2 . . 3.550 2.971 2.240 3.506 . 0 0 "[ . 1 . 2]" 1
446 1 30 LEU QD 1 31 SER H . . 3.490 2.790 1.807 3.247 . 0 0 "[ . 1 . 2]" 1
447 1 30 LEU QD 1 32 VAL QG . . 3.280 1.893 1.675 2.286 . 0 0 "[ . 1 . 2]" 1
448 1 30 LEU QD 1 56 GLU HA . . 4.020 3.149 2.802 3.613 . 0 0 "[ . 1 . 2]" 1
449 1 30 LEU QD 1 57 VAL H . . 4.080 2.478 1.990 3.026 . 0 0 "[ . 1 . 2]" 1
450 1 30 LEU QD 1 57 VAL HB . . 3.890 2.636 2.050 3.586 . 0 0 "[ . 1 . 2]" 1
451 1 30 LEU QD 1 57 VAL QG . . 3.360 1.847 1.492 2.492 . 0 0 "[ . 1 . 2]" 1
452 1 30 LEU QD 1 60 LYS HB3 . . 3.200 2.215 1.836 2.694 . 0 0 "[ . 1 . 2]" 1
453 1 30 LEU QD 1 60 LYS HD2 . . 4.010 3.288 2.229 3.965 . 0 0 "[ . 1 . 2]" 1
454 1 30 LEU QD 1 61 LYS H . . 4.530 3.918 2.647 4.383 . 0 0 "[ . 1 . 2]" 1
455 1 30 LEU QD 1 61 LYS HA . . 3.910 3.138 2.224 3.511 . 0 0 "[ . 1 . 2]" 1
456 1 30 LEU QD 1 62 GLY H . . 3.740 3.118 2.338 3.485 . 0 0 "[ . 1 . 2]" 1
457 1 30 LEU QD 1 62 GLY HA3 . . 4.280 3.139 1.954 3.381 . 0 0 "[ . 1 . 2]" 1
458 1 30 LEU QD 1 64 VAL MG1 . . 3.440 3.027 2.344 3.411 . 0 0 "[ . 1 . 2]" 1
459 1 30 LEU QD 1 64 VAL MG2 . . 3.530 2.692 1.901 3.354 . 0 0 "[ . 1 . 2]" 1
460 1 30 LEU HG 1 31 SER H . . 4.070 2.760 2.332 4.153 0.083 20 0 "[ . 1 . 2]" 1
461 1 30 LEU HG 1 32 VAL QG . . 3.490 2.555 1.906 3.591 0.101 20 0 "[ . 1 . 2]" 1
462 1 31 SER H 1 31 SER HB2 . . 3.720 3.364 2.518 3.645 . 0 0 "[ . 1 . 2]" 1
463 1 31 SER H 1 31 SER HB3 . . 3.360 2.867 2.099 3.637 0.277 20 0 "[ . 1 . 2]" 1
464 1 31 SER H 1 32 VAL H . . 4.900 4.519 4.217 4.607 . 0 0 "[ . 1 . 2]" 1
465 1 31 SER H 1 32 VAL QG . . 5.390 3.897 3.535 4.180 . 0 0 "[ . 1 . 2]" 1
466 1 31 SER HA 1 32 VAL H . . 2.870 2.250 2.216 2.298 . 0 0 "[ . 1 . 2]" 1
467 1 31 SER HA 1 32 VAL QG . . 4.250 3.231 3.101 3.452 . 0 0 "[ . 1 . 2]" 1
468 1 31 SER HB2 1 32 VAL H . . 3.870 3.529 3.074 4.297 0.427 18 0 "[ . 1 . 2]" 1
469 1 31 SER HB3 1 32 VAL H . . 4.370 4.106 3.266 4.395 0.025 13 0 "[ . 1 . 2]" 1
470 1 32 VAL H 1 32 VAL QG . . 3.550 2.088 1.904 2.367 . 0 0 "[ . 1 . 2]" 1
471 1 32 VAL HA 1 32 VAL QG . . 3.240 2.233 2.103 2.315 . 0 0 "[ . 1 . 2]" 1
472 1 32 VAL HA 1 33 SER H . . 3.020 2.307 2.182 2.592 . 0 0 "[ . 1 . 2]" 1
473 1 32 VAL HB 1 33 SER H . . 3.600 2.992 2.235 3.605 0.005 18 0 "[ . 1 . 2]" 1
474 1 32 VAL HB 1 38 LEU QD . . 3.930 2.504 1.992 2.972 . 0 0 "[ . 1 . 2]" 1
475 1 32 VAL QG 1 33 SER H . . 4.080 3.432 3.091 3.660 . 0 0 "[ . 1 . 2]" 1
476 1 32 VAL QG 1 36 GLN HB3 . . 4.350 3.661 3.138 3.934 . 0 0 "[ . 1 . 2]" 1
477 1 32 VAL QG 1 36 GLN QG . . 4.340 3.063 2.720 3.797 . 0 0 "[ . 1 . 2]" 1
478 1 32 VAL QG 1 38 LEU QD . . 2.930 2.017 1.674 2.681 . 0 0 "[ . 1 . 2]" 1
479 1 33 SER H 1 33 SER QB . . 3.310 2.374 2.042 2.528 . 0 0 "[ . 1 . 2]" 1
480 1 33 SER H 1 34 ALA H . . 4.970 4.526 4.452 4.616 . 0 0 "[ . 1 . 2]" 1
481 1 33 SER H 1 36 GLN HB2 . . 3.710 2.823 2.552 3.157 . 0 0 "[ . 1 . 2]" 1
482 1 33 SER H 1 36 GLN HB3 . . 3.960 2.747 2.112 3.169 . 0 0 "[ . 1 . 2]" 1
483 1 33 SER H 1 36 GLN QG . . 3.700 2.563 2.271 3.262 . 0 0 "[ . 1 . 2]" 1
484 1 33 SER H 1 38 LEU QD . . 5.470 4.595 4.046 5.045 . 0 0 "[ . 1 . 2]" 1
485 1 33 SER HA 1 34 ALA H . . 3.040 2.677 2.562 2.781 . 0 0 "[ . 1 . 2]" 1
486 1 33 SER QB 1 34 ALA H . . 3.700 2.290 1.934 2.740 . 0 0 "[ . 1 . 2]" 1
487 1 33 SER QB 1 34 ALA MB . . 4.350 3.772 3.483 4.195 . 0 0 "[ . 1 . 2]" 1
488 1 33 SER QB 1 36 GLN H . . 5.080 4.343 3.890 4.743 . 0 0 "[ . 1 . 2]" 1
489 1 33 SER QB 1 36 GLN HB2 . . 3.840 2.455 1.981 3.031 . 0 0 "[ . 1 . 2]" 1
490 1 33 SER QB 1 36 GLN HB3 . . 4.340 3.468 3.007 3.925 . 0 0 "[ . 1 . 2]" 1
491 1 33 SER QB 1 36 GLN QG . . 4.360 3.619 3.249 3.978 . 0 0 "[ . 1 . 2]" 1
492 1 34 ALA H 1 34 ALA MB . . 2.920 2.026 1.974 2.093 . 0 0 "[ . 1 . 2]" 1
493 1 34 ALA H 1 35 ASN H . . 4.810 4.613 4.556 4.639 . 0 0 "[ . 1 . 2]" 1
494 1 34 ALA HA 1 35 ASN H . . 2.720 2.268 2.201 2.388 . 0 0 "[ . 1 . 2]" 1
495 1 34 ALA HA 1 36 GLN H . . 3.950 3.222 3.090 3.322 . 0 0 "[ . 1 . 2]" 1
496 1 34 ALA MB 1 35 ASN H . . 3.560 2.991 2.757 3.218 . 0 0 "[ . 1 . 2]" 1
497 1 34 ALA MB 1 35 ASN HA . . 4.430 4.402 4.324 4.463 0.033 19 0 "[ . 1 . 2]" 1
498 1 34 ALA MB 1 35 ASN HD21 . . 4.420 2.960 2.009 4.237 . 0 0 "[ . 1 . 2]" 1
499 1 34 ALA MB 1 35 ASN HD22 . . 4.380 3.573 2.810 4.374 . 0 0 "[ . 1 . 2]" 1
500 1 34 ALA MB 1 36 GLN H . . 4.310 4.283 4.166 4.360 0.050 4 0 "[ . 1 . 2]" 1
501 1 35 ASN H 1 36 GLN H . . 3.530 2.650 2.496 2.892 . 0 0 "[ . 1 . 2]" 1
502 1 35 ASN H 1 36 GLN HB2 . . 5.500 5.249 5.076 5.376 . 0 0 "[ . 1 . 2]" 1
503 1 35 ASN HB2 1 36 GLN H . . 5.140 3.991 3.455 4.539 . 0 0 "[ . 1 . 2]" 1
504 1 35 ASN HB3 1 35 ASN HD21 . . 3.560 3.198 2.122 3.531 . 0 0 "[ . 1 . 2]" 1
505 1 35 ASN HB3 1 36 GLN H . . 4.860 4.421 4.165 4.680 . 0 0 "[ . 1 . 2]" 1
506 1 36 GLN H 1 36 GLN HB2 . . 3.120 2.871 2.631 3.038 . 0 0 "[ . 1 . 2]" 1
507 1 36 GLN H 1 36 GLN HB3 . . 3.470 2.299 2.205 2.368 . 0 0 "[ . 1 . 2]" 1
508 1 36 GLN H 1 36 GLN QG . . 4.190 3.890 3.798 3.964 . 0 0 "[ . 1 . 2]" 1
509 1 36 GLN HA 1 36 GLN QG . . 3.320 3.058 2.530 3.178 . 0 0 "[ . 1 . 2]" 1
510 1 36 GLN HA 1 37 LYS H . . 2.740 2.248 2.203 2.432 . 0 0 "[ . 1 . 2]" 1
511 1 36 GLN HA 1 37 LYS HB2 . . 4.580 4.380 4.166 4.913 0.333 5 0 "[ . 1 . 2]" 1
512 1 36 GLN HB2 1 37 LYS H . . 4.210 4.158 3.849 4.307 0.097 19 0 "[ . 1 . 2]" 1
513 1 36 GLN HB3 1 38 LEU QD . . 4.370 3.298 2.722 3.639 . 0 0 "[ . 1 . 2]" 1
514 1 36 GLN HB3 1 38 LEU HG . . 5.430 4.841 4.452 5.447 0.017 1 0 "[ . 1 . 2]" 1
515 1 36 GLN HE21 1 37 LYS H . . 5.120 3.783 2.354 4.706 . 0 0 "[ . 1 . 2]" 1
516 1 36 GLN HE21 1 38 LEU HA . . 5.370 4.458 3.486 5.037 . 0 0 "[ . 1 . 2]" 1
517 1 36 GLN HE21 1 57 VAL QG . . 4.280 2.311 1.906 2.617 . 0 0 "[ . 1 . 2]" 1
518 1 36 GLN HE22 1 37 LYS H . . 5.500 3.850 2.861 5.520 0.020 6 0 "[ . 1 . 2]" 1
519 1 36 GLN HE22 1 57 VAL QG . . 4.220 3.148 2.119 3.725 . 0 0 "[ . 1 . 2]" 1
520 1 36 GLN QG 1 37 LYS H . . 3.990 3.030 2.154 3.569 . 0 0 "[ . 1 . 2]" 1
521 1 36 GLN QG 1 38 LEU QD . . 3.850 2.830 1.925 3.602 . 0 0 "[ . 1 . 2]" 1
522 1 36 GLN QG 1 38 LEU HG . . 5.270 3.819 3.275 4.655 . 0 0 "[ . 1 . 2]" 1
523 1 36 GLN QG 1 57 VAL QG . . 3.690 2.767 2.235 2.942 . 0 0 "[ . 1 . 2]" 1
524 1 37 LYS H 1 37 LYS HB2 . . 3.290 2.292 2.017 3.152 . 0 0 "[ . 1 . 2]" 1
525 1 37 LYS H 1 37 LYS HB3 . . 3.550 3.063 2.112 3.563 0.013 12 0 "[ . 1 . 2]" 1
526 1 37 LYS H 1 37 LYS QD . . 4.750 4.085 2.988 4.564 . 0 0 "[ . 1 . 2]" 1
527 1 37 LYS H 1 37 LYS HG2 . . 4.470 4.170 3.725 4.491 0.021 4 0 "[ . 1 . 2]" 1
528 1 37 LYS H 1 37 LYS HG3 . . 3.960 3.623 2.486 4.507 0.547 10 1 "[ . + . 2]" 1
529 1 37 LYS HA 1 37 LYS QD . . 4.660 3.892 2.861 4.115 . 0 0 "[ . 1 . 2]" 1
530 1 37 LYS HA 1 37 LYS HG2 . . 3.920 2.694 2.156 3.543 . 0 0 "[ . 1 . 2]" 1
531 1 37 LYS HA 1 37 LYS HG3 . . 3.900 2.572 1.976 3.473 . 0 0 "[ . 1 . 2]" 1
532 1 37 LYS HA 1 38 LEU H . . 3.060 2.286 2.215 2.346 . 0 0 "[ . 1 . 2]" 1
533 1 37 LYS HA 1 38 LEU HG . . 5.100 3.447 2.954 5.123 0.023 10 0 "[ . 1 . 2]" 1
534 1 37 LYS HB2 1 38 LEU H . . 4.250 4.219 3.788 4.337 0.087 18 0 "[ . 1 . 2]" 1
535 1 37 LYS HB3 1 37 LYS HE2 . . 4.120 3.324 1.998 4.985 0.865 9 5 "[ . -+1 ** *2]" 1
536 1 37 LYS HB3 1 38 LEU H . . 4.000 3.478 3.020 4.400 0.400 10 0 "[ . 1 . 2]" 1
537 1 37 LYS HE2 1 37 LYS HG2 . . 3.770 2.789 2.013 3.643 . 0 0 "[ . 1 . 2]" 1
538 1 37 LYS HE2 1 37 LYS HG3 . . 3.970 3.305 2.472 3.923 . 0 0 "[ . 1 . 2]" 1
539 1 37 LYS HG2 1 38 LEU H . . 4.350 3.233 2.238 4.093 . 0 0 "[ . 1 . 2]" 1
540 1 37 LYS HG3 1 38 LEU H . . 4.830 3.803 2.323 4.827 . 0 0 "[ . 1 . 2]" 1
541 1 38 LEU H 1 38 LEU HB3 . . 3.770 3.768 3.678 3.853 0.083 4 0 "[ . 1 . 2]" 1
542 1 38 LEU H 1 38 LEU QD . . 4.190 2.511 1.754 3.200 . 0 0 "[ . 1 . 2]" 1
543 1 38 LEU H 1 38 LEU HG . . 3.750 2.789 2.220 3.959 0.209 10 0 "[ . 1 . 2]" 1
544 1 38 LEU H 1 39 LYS H . . 5.190 4.251 4.042 4.404 . 0 0 "[ . 1 . 2]" 1
545 1 38 LEU HB2 1 39 LYS H . . 4.020 3.240 2.836 3.511 . 0 0 "[ . 1 . 2]" 1
546 1 38 LEU HB2 1 40 ILE MD . . 3.770 2.757 2.670 2.881 . 0 0 "[ . 1 . 2]" 1
547 1 38 LEU HB2 1 57 VAL QG . . 4.010 3.479 2.786 3.895 . 0 0 "[ . 1 . 2]" 1
548 1 38 LEU HB3 1 39 LYS H . . 4.050 3.684 3.395 3.934 . 0 0 "[ . 1 . 2]" 1
549 1 38 LEU HB3 1 40 ILE MD . . 4.180 4.230 4.185 4.291 0.111 16 0 "[ . 1 . 2]" 1
550 1 38 LEU HB3 1 57 VAL QG . . 4.100 2.350 1.835 2.676 . 0 0 "[ . 1 . 2]" 1
551 1 38 LEU QD 1 39 LYS H . . 4.480 4.115 3.874 4.261 . 0 0 "[ . 1 . 2]" 1
552 1 38 LEU QD 1 40 ILE MD . . 3.370 1.927 1.679 2.315 . 0 0 "[ . 1 . 2]" 1
553 1 38 LEU QD 1 57 VAL QG . . 3.040 2.923 2.483 3.026 . 0 0 "[ . 1 . 2]" 1
554 1 38 LEU QD 1 69 ILE MD . . 3.250 2.653 2.211 3.180 . 0 0 "[ . 1 . 2]" 1
555 1 38 LEU QD 1 69 ILE MG . . 3.300 2.658 2.042 3.085 . 0 0 "[ . 1 . 2]" 1
556 1 38 LEU HG 1 40 ILE MD . . 4.630 4.124 3.579 4.555 . 0 0 "[ . 1 . 2]" 1
557 1 38 LEU HG 1 57 VAL QG . . 5.250 4.123 3.633 4.723 . 0 0 "[ . 1 . 2]" 1
558 1 39 LYS H 1 39 LYS HB2 . . 3.640 2.739 2.335 3.117 . 0 0 "[ . 1 . 2]" 1
559 1 39 LYS H 1 39 LYS HB3 . . 3.710 2.440 2.234 2.752 . 0 0 "[ . 1 . 2]" 1
560 1 39 LYS H 1 40 ILE HA . . 5.180 5.082 4.893 5.186 0.006 19 0 "[ . 1 . 2]" 1
561 1 39 LYS H 1 40 ILE MD . . 5.500 4.025 3.677 4.247 . 0 0 "[ . 1 . 2]" 1
562 1 39 LYS H 1 55 ALA HA . . 5.460 4.248 3.724 4.713 . 0 0 "[ . 1 . 2]" 1
563 1 39 LYS H 1 55 ALA MB . . 4.660 3.750 3.372 4.133 . 0 0 "[ . 1 . 2]" 1
564 1 39 LYS H 1 56 GLU H . . 3.850 2.741 2.004 3.237 . 0 0 "[ . 1 . 2]" 1
565 1 39 LYS H 1 57 VAL QG . . 4.430 3.621 2.413 4.349 . 0 0 "[ . 1 . 2]" 1
566 1 39 LYS HA 1 39 LYS QE . . 3.060 3.021 2.968 3.148 0.088 19 0 "[ . 1 . 2]" 1
567 1 39 LYS HA 1 40 ILE H . . 3.180 2.186 2.176 2.195 . 0 0 "[ . 1 . 2]" 1
568 1 39 LYS HA 1 40 ILE MD . . 4.680 3.574 3.276 3.817 . 0 0 "[ . 1 . 2]" 1
569 1 39 LYS HB2 1 39 LYS HD2 . . 3.760 2.843 1.966 3.985 0.225 17 0 "[ . 1 . 2]" 1
570 1 39 LYS HB2 1 39 LYS QE . . 4.860 3.476 2.024 4.044 . 0 0 "[ . 1 . 2]" 1
571 1 39 LYS HB2 1 40 ILE H . . 4.830 4.450 4.283 4.606 . 0 0 "[ . 1 . 2]" 1
572 1 39 LYS HB3 1 39 LYS HD2 . . 3.570 3.392 3.203 4.286 0.716 9 2 "[ . +- . 2]" 1
573 1 39 LYS HB3 1 39 LYS QE . . 5.040 3.727 3.047 4.194 . 0 0 "[ . 1 . 2]" 1
574 1 39 LYS HB3 1 40 ILE H . . 4.760 4.475 4.228 4.596 . 0 0 "[ . 1 . 2]" 1
575 1 39 LYS HB3 1 41 LEU QD . . 4.190 3.266 2.505 4.034 . 0 0 "[ . 1 . 2]" 1
576 1 39 LYS HB3 1 56 GLU H . . 4.230 3.085 2.753 3.400 . 0 0 "[ . 1 . 2]" 1
577 1 39 LYS HD2 1 40 ILE H . . 5.020 5.016 3.917 5.418 0.398 18 0 "[ . 1 . 2]" 1
578 1 39 LYS HD3 1 39 LYS HG3 . . 2.670 2.794 2.515 2.882 0.212 2 0 "[ . 1 . 2]" 1
579 1 39 LYS HD3 1 41 LEU QD . . 3.770 3.174 1.901 3.971 0.201 9 0 "[ . 1 . 2]" 1
580 1 39 LYS QE 1 39 LYS HG2 . . 3.890 2.663 2.057 3.077 . 0 0 "[ . 1 . 2]" 1
581 1 39 LYS QE 1 41 LEU QD . . 4.010 3.062 1.751 3.837 . 0 0 "[ . 1 . 2]" 1
582 1 39 LYS HG2 1 40 ILE H . . 4.290 4.179 2.818 4.879 0.589 10 2 "[ . -+ . 2]" 1
583 1 39 LYS HG2 1 41 LEU QD . . 3.880 2.805 2.064 4.092 0.212 19 0 "[ . 1 . 2]" 1
584 1 39 LYS HG3 1 40 ILE H . . 4.740 3.740 3.046 4.866 0.126 18 0 "[ . 1 . 2]" 1
585 1 40 ILE H 1 40 ILE HB . . 3.670 2.483 2.430 2.542 . 0 0 "[ . 1 . 2]" 1
586 1 40 ILE H 1 40 ILE MD . . 4.320 2.561 2.305 3.004 . 0 0 "[ . 1 . 2]" 1
587 1 40 ILE H 1 40 ILE HG12 . . 3.860 2.199 2.108 2.409 . 0 0 "[ . 1 . 2]" 1
588 1 40 ILE H 1 40 ILE HG13 . . 4.530 3.651 3.571 3.848 . 0 0 "[ . 1 . 2]" 1
589 1 40 ILE H 1 40 ILE MG . . 4.510 3.723 3.712 3.767 . 0 0 "[ . 1 . 2]" 1
590 1 40 ILE HA 1 40 ILE MD . . 3.130 1.911 1.887 1.931 . 0 0 "[ . 1 . 2]" 1
591 1 40 ILE HA 1 40 ILE MG . . 3.440 2.332 2.219 2.437 . 0 0 "[ . 1 . 2]" 1
592 1 40 ILE HA 1 41 LEU H . . 2.950 2.206 2.177 2.288 . 0 0 "[ . 1 . 2]" 1
593 1 40 ILE HA 1 41 LEU QD . . 4.790 4.178 2.762 4.519 . 0 0 "[ . 1 . 2]" 1
594 1 40 ILE HA 1 41 LEU HG . . 4.470 4.159 3.903 4.907 0.437 19 0 "[ . 1 . 2]" 1
595 1 40 ILE HA 1 42 GLU H . . 4.420 4.187 3.567 4.431 0.011 13 0 "[ . 1 . 2]" 1
596 1 40 ILE HA 1 55 ALA HA . . 3.230 2.612 2.405 2.775 . 0 0 "[ . 1 . 2]" 1
597 1 40 ILE HA 1 56 GLU H . . 4.310 4.221 3.906 4.354 0.044 13 0 "[ . 1 . 2]" 1
598 1 40 ILE HB 1 43 PHE QE . . 4.880 3.863 3.083 4.311 . 0 0 "[ . 1 . 2]" 1
599 1 40 ILE HB 1 43 PHE HZ . . 4.120 4.028 3.732 4.152 0.032 13 0 "[ . 1 . 2]" 1
600 1 40 ILE MD 1 40 ILE MG . . 3.070 2.352 2.274 2.446 . 0 0 "[ . 1 . 2]" 1
601 1 40 ILE MD 1 41 LEU H . . 4.110 3.679 3.600 3.788 . 0 0 "[ . 1 . 2]" 1
602 1 40 ILE MD 1 42 GLU H . . 5.230 5.085 4.410 5.259 0.029 13 0 "[ . 1 . 2]" 1
603 1 40 ILE MD 1 53 TRP HB2 . . 4.090 3.830 3.515 4.107 0.017 19 0 "[ . 1 . 2]" 1
604 1 40 ILE MD 1 53 TRP HB3 . . 3.850 3.161 2.719 3.463 . 0 0 "[ . 1 . 2]" 1
605 1 40 ILE MD 1 53 TRP HE3 . . 3.330 2.953 2.727 3.089 . 0 0 "[ . 1 . 2]" 1
606 1 40 ILE MD 1 53 TRP HZ3 . . 4.340 4.244 4.040 4.362 0.022 16 0 "[ . 1 . 2]" 1
607 1 40 ILE MD 1 55 ALA H . . 4.810 4.462 4.155 4.722 . 0 0 "[ . 1 . 2]" 1
608 1 40 ILE MD 1 55 ALA HA . . 3.630 3.001 2.795 3.211 . 0 0 "[ . 1 . 2]" 1
609 1 40 ILE MD 1 55 ALA MB . . 3.000 2.318 1.986 2.817 . 0 0 "[ . 1 . 2]" 1
610 1 40 ILE MD 1 56 GLU H . . 4.710 4.157 3.802 4.448 . 0 0 "[ . 1 . 2]" 1
611 1 40 ILE HG12 1 40 ILE MG . . 3.730 3.176 3.152 3.193 . 0 0 "[ . 1 . 2]" 1
612 1 40 ILE HG12 1 53 TRP HE3 . . 4.550 4.499 4.295 4.598 0.048 19 0 "[ . 1 . 2]" 1
613 1 40 ILE HG13 1 40 ILE MG . . 3.430 2.174 2.085 2.277 . 0 0 "[ . 1 . 2]" 1
614 1 40 ILE HG13 1 53 TRP HE3 . . 4.290 2.839 2.625 3.010 . 0 0 "[ . 1 . 2]" 1
615 1 40 ILE HG13 1 53 TRP HZ3 . . 4.600 3.336 2.989 3.621 . 0 0 "[ . 1 . 2]" 1
616 1 40 ILE MG 1 41 LEU H . . 3.590 3.054 2.707 3.431 . 0 0 "[ . 1 . 2]" 1
617 1 40 ILE MG 1 41 LEU HA . . 4.890 4.333 4.040 4.591 . 0 0 "[ . 1 . 2]" 1
618 1 40 ILE MG 1 42 GLU H . . 3.480 3.225 2.141 3.487 0.007 9 0 "[ . 1 . 2]" 1
619 1 40 ILE MG 1 42 GLU HA . . 4.480 3.967 3.411 4.109 . 0 0 "[ . 1 . 2]" 1
620 1 40 ILE MG 1 43 PHE HA . . 4.080 3.457 3.260 3.701 . 0 0 "[ . 1 . 2]" 1
621 1 40 ILE MG 1 43 PHE QD . . 4.160 3.042 2.543 3.437 . 0 0 "[ . 1 . 2]" 1
622 1 40 ILE MG 1 43 PHE QE . . 3.790 2.552 1.922 3.141 . 0 0 "[ . 1 . 2]" 1
623 1 40 ILE MG 1 43 PHE HZ . . 4.630 3.258 2.901 3.620 . 0 0 "[ . 1 . 2]" 1
624 1 40 ILE MG 1 44 LYS H . . 5.500 5.282 4.943 5.509 0.009 19 0 "[ . 1 . 2]" 1
625 1 40 ILE MG 1 53 TRP HA . . 4.740 4.121 3.923 4.410 . 0 0 "[ . 1 . 2]" 1
626 1 40 ILE MG 1 53 TRP HB2 . . 3.950 3.716 3.280 3.969 0.019 15 0 "[ . 1 . 2]" 1
627 1 40 ILE MG 1 53 TRP HB3 . . 3.440 2.453 2.152 2.667 . 0 0 "[ . 1 . 2]" 1
628 1 40 ILE MG 1 53 TRP HE3 . . 3.540 2.465 2.081 2.944 . 0 0 "[ . 1 . 2]" 1
629 1 40 ILE MG 1 54 LEU H . . 4.410 3.606 3.266 3.863 . 0 0 "[ . 1 . 2]" 1
630 1 40 ILE MG 1 55 ALA HA . . 4.340 4.276 3.979 4.374 0.034 18 0 "[ . 1 . 2]" 1
631 1 40 ILE MG 1 55 ALA MB . . 4.570 4.200 3.922 4.599 0.029 10 0 "[ . 1 . 2]" 1
632 1 41 LEU H 1 41 LEU QB . . 3.740 2.378 2.221 2.503 . 0 0 "[ . 1 . 2]" 1
633 1 41 LEU H 1 41 LEU QD . . 4.340 2.995 1.819 3.433 . 0 0 "[ . 1 . 2]" 1
634 1 41 LEU H 1 41 LEU HG . . 3.770 2.467 2.084 3.441 . 0 0 "[ . 1 . 2]" 1
635 1 41 LEU H 1 42 GLU H . . 3.190 2.683 2.174 3.000 . 0 0 "[ . 1 . 2]" 1
636 1 41 LEU H 1 54 LEU H . . 4.440 4.131 3.746 4.449 0.009 3 0 "[ . 1 . 2]" 1
637 1 41 LEU H 1 54 LEU HB3 . . 4.620 3.514 2.519 3.901 . 0 0 "[ . 1 . 2]" 1
638 1 41 LEU H 1 54 LEU QD . . 4.980 4.214 2.851 4.482 . 0 0 "[ . 1 . 2]" 1
639 1 41 LEU H 1 54 LEU HG . . 4.670 4.149 3.638 5.095 0.425 16 0 "[ . 1 . 2]" 1
640 1 41 LEU H 1 55 ALA HA . . 3.420 2.737 2.426 3.077 . 0 0 "[ . 1 . 2]" 1
641 1 41 LEU H 1 56 GLU H . . 4.390 4.123 3.597 4.432 0.042 19 0 "[ . 1 . 2]" 1
642 1 41 LEU HA 1 41 LEU QD . . 3.010 2.087 1.940 2.963 . 0 0 "[ . 1 . 2]" 1
643 1 41 LEU HA 1 41 LEU HG . . 3.830 3.130 2.555 3.411 . 0 0 "[ . 1 . 2]" 1
644 1 41 LEU QB 1 42 GLU H . . 3.990 2.300 2.099 2.974 . 0 0 "[ . 1 . 2]" 1
645 1 41 LEU QB 1 42 GLU HG3 . . 3.980 3.626 2.938 4.868 0.888 19 2 "[ - . 1 . +2]" 1
646 1 41 LEU QB 1 54 LEU HB2 . . 4.090 3.771 3.318 3.966 . 0 0 "[ . 1 . 2]" 1
647 1 41 LEU QB 1 54 LEU HB3 . . 3.670 2.227 1.917 2.465 . 0 0 "[ . 1 . 2]" 1
648 1 41 LEU QB 1 54 LEU QD . . 3.850 2.612 1.535 2.894 . 0 0 "[ . 1 . 2]" 1
649 1 41 LEU QB 1 54 LEU HG . . 3.750 2.497 2.023 3.414 . 0 0 "[ . 1 . 2]" 1
650 1 41 LEU QD 1 54 LEU HG . . 3.650 2.289 1.898 3.820 0.170 15 0 "[ . 1 . 2]" 1
651 1 41 LEU QD 1 55 ALA H . . 4.680 4.446 3.198 4.590 . 0 0 "[ . 1 . 2]" 1
652 1 41 LEU QD 1 55 ALA HA . . 4.380 3.666 1.832 4.131 . 0 0 "[ . 1 . 2]" 1
653 1 41 LEU QD 1 56 GLU H . . 4.360 3.397 2.155 3.944 . 0 0 "[ . 1 . 2]" 1
654 1 41 LEU QD 1 56 GLU HA . . 4.130 3.632 3.235 3.866 . 0 0 "[ . 1 . 2]" 1
655 1 41 LEU QD 1 56 GLU HB2 . . 3.830 1.938 1.795 2.161 . 0 0 "[ . 1 . 2]" 1
656 1 41 LEU QD 1 56 GLU HB3 . . 3.710 2.622 2.253 3.169 . 0 0 "[ . 1 . 2]" 1
657 1 41 LEU QD 1 56 GLU HG2 . . 4.510 4.002 3.706 4.264 . 0 0 "[ . 1 . 2]" 1
658 1 41 LEU QD 1 56 GLU HG3 . . 4.490 3.258 2.916 3.757 . 0 0 "[ . 1 . 2]" 1
659 1 41 LEU QD 1 61 LYS HB3 . . 4.190 3.086 2.448 4.000 . 0 0 "[ . 1 . 2]" 1
660 1 41 LEU QD 1 61 LYS HD3 . . 3.500 2.234 1.867 3.718 0.218 11 0 "[ . 1 . 2]" 1
661 1 41 LEU QD 1 61 LYS HG2 . . 2.980 2.239 1.905 2.827 . 0 0 "[ . 1 . 2]" 1
662 1 41 LEU HG 1 55 ALA HA . . 4.340 3.294 2.638 4.470 0.130 19 0 "[ . 1 . 2]" 1
663 1 41 LEU HG 1 56 GLU H . . 4.750 3.310 2.794 4.522 . 0 0 "[ . 1 . 2]" 1
664 1 41 LEU HG 1 56 GLU HB3 . . 4.270 3.342 2.589 3.945 . 0 0 "[ . 1 . 2]" 1
665 1 42 GLU H 1 42 GLU HB2 . . 4.160 2.537 2.380 2.971 . 0 0 "[ . 1 . 2]" 1
666 1 42 GLU H 1 42 GLU HG3 . . 4.190 3.874 3.600 4.619 0.429 19 0 "[ . 1 . 2]" 1
667 1 42 GLU H 1 54 LEU H . . 3.890 2.678 2.509 2.858 . 0 0 "[ . 1 . 2]" 1
668 1 42 GLU H 1 54 LEU HB2 . . 3.710 3.503 3.136 3.703 . 0 0 "[ . 1 . 2]" 1
669 1 42 GLU H 1 54 LEU HB3 . . 3.600 1.991 1.928 2.080 . 0 0 "[ . 1 . 2]" 1
670 1 42 GLU H 1 54 LEU QD . . 4.270 3.535 3.197 3.735 . 0 0 "[ . 1 . 2]" 1
671 1 42 GLU HA 1 42 GLU HG2 . . 3.330 2.157 2.042 2.734 . 0 0 "[ . 1 . 2]" 1
672 1 42 GLU HA 1 43 PHE H . . 2.890 2.549 2.304 2.769 . 0 0 "[ . 1 . 2]" 1
673 1 42 GLU HA 1 43 PHE HA . . 4.860 4.413 4.340 4.494 . 0 0 "[ . 1 . 2]" 1
674 1 42 GLU HA 1 43 PHE QD . . 4.160 3.538 2.667 4.167 0.007 19 0 "[ . 1 . 2]" 1
675 1 42 GLU HA 1 44 LYS H . . 4.680 4.204 3.880 4.610 . 0 0 "[ . 1 . 2]" 1
676 1 42 GLU HB2 1 42 GLU HG3 . . 2.900 2.329 2.270 2.515 . 0 0 "[ . 1 . 2]" 1
677 1 42 GLU HB2 1 43 PHE H . . 4.490 3.826 3.517 4.242 . 0 0 "[ . 1 . 2]" 1
678 1 42 GLU HB2 1 44 LYS H . . 4.360 3.464 3.224 3.647 . 0 0 "[ . 1 . 2]" 1
679 1 42 GLU HB2 1 54 LEU H . . 4.510 3.462 3.032 3.668 . 0 0 "[ . 1 . 2]" 1
680 1 42 GLU HB2 1 54 LEU HB2 . . 4.030 3.018 2.065 3.367 . 0 0 "[ . 1 . 2]" 1
681 1 42 GLU HB2 1 54 LEU HB3 . . 3.750 2.507 2.159 2.612 . 0 0 "[ . 1 . 2]" 1
682 1 42 GLU HB2 1 54 LEU QD . . 4.280 2.898 2.698 3.028 . 0 0 "[ . 1 . 2]" 1
683 1 42 GLU HB3 1 42 GLU HG2 . . 2.840 2.798 2.642 3.052 0.212 3 0 "[ . 1 . 2]" 1
684 1 42 GLU HB3 1 43 PHE H . . 4.060 2.434 2.006 3.052 . 0 0 "[ . 1 . 2]" 1
685 1 42 GLU HB3 1 44 LYS H . . 3.840 2.315 2.077 2.688 . 0 0 "[ . 1 . 2]" 1
686 1 42 GLU HB3 1 44 LYS HG3 . . 4.140 2.828 2.373 3.729 . 0 0 "[ . 1 . 2]" 1
687 1 42 GLU HB3 1 54 LEU H . . 4.810 4.133 3.450 4.416 . 0 0 "[ . 1 . 2]" 1
688 1 42 GLU HB3 1 54 LEU HB2 . . 4.640 4.316 3.686 4.638 . 0 0 "[ . 1 . 2]" 1
689 1 42 GLU HB3 1 54 LEU HB3 . . 4.100 4.056 3.688 4.212 0.112 16 0 "[ . 1 . 2]" 1
690 1 42 GLU HB3 1 54 LEU QD . . 4.590 4.281 4.044 4.428 . 0 0 "[ . 1 . 2]" 1
691 1 42 GLU HG2 1 43 PHE H . . 3.960 3.776 3.447 4.356 0.396 19 0 "[ . 1 . 2]" 1
692 1 42 GLU HG3 1 54 LEU HB2 . . 5.300 4.929 3.777 5.270 . 0 0 "[ . 1 . 2]" 1
693 1 42 GLU HG3 1 54 LEU HB3 . . 4.590 4.143 3.434 4.663 0.073 3 0 "[ . 1 . 2]" 1
694 1 42 GLU HG3 1 54 LEU QD . . 3.730 3.417 2.312 3.881 0.151 19 0 "[ . 1 . 2]" 1
695 1 43 PHE H 1 43 PHE HB2 . . 3.390 2.410 2.207 2.623 . 0 0 "[ . 1 . 2]" 1
696 1 43 PHE H 1 43 PHE HB3 . . 3.930 3.604 3.485 3.720 . 0 0 "[ . 1 . 2]" 1
697 1 43 PHE H 1 43 PHE QD . . 3.610 2.784 2.181 3.569 . 0 0 "[ . 1 . 2]" 1
698 1 43 PHE H 1 44 LYS H . . 3.580 2.538 1.984 3.188 . 0 0 "[ . 1 . 2]" 1
699 1 43 PHE H 1 44 LYS HG3 . . 5.020 3.482 2.741 5.264 0.244 11 0 "[ . 1 . 2]" 1
700 1 43 PHE HA 1 43 PHE QD . . 3.720 2.804 2.255 3.170 . 0 0 "[ . 1 . 2]" 1
701 1 43 PHE HA 1 44 LYS H . . 3.630 3.047 2.861 3.214 . 0 0 "[ . 1 . 2]" 1
702 1 43 PHE HA 1 53 TRP HA . . 3.970 2.917 2.609 3.190 . 0 0 "[ . 1 . 2]" 1
703 1 43 PHE HA 1 53 TRP HB3 . . 4.370 3.550 3.164 3.838 . 0 0 "[ . 1 . 2]" 1
704 1 43 PHE HA 1 53 TRP HD1 . . 3.850 2.608 2.284 2.873 . 0 0 "[ . 1 . 2]" 1
705 1 43 PHE HA 1 53 TRP HE1 . . 4.750 3.384 3.172 3.749 . 0 0 "[ . 1 . 2]" 1
706 1 43 PHE HA 1 54 LEU H . . 4.740 3.863 3.516 4.111 . 0 0 "[ . 1 . 2]" 1
707 1 43 PHE HB2 1 44 LYS H . . 4.210 3.971 3.715 4.213 0.003 5 0 "[ . 1 . 2]" 1
708 1 43 PHE HB3 1 44 LYS H . . 5.050 4.469 4.372 4.576 . 0 0 "[ . 1 . 2]" 1
709 1 43 PHE HB3 1 53 TRP HE1 . . 4.550 2.763 2.485 3.208 . 0 0 "[ . 1 . 2]" 1
710 1 43 PHE QD 1 53 TRP HE1 . . 5.150 3.429 2.765 3.963 . 0 0 "[ . 1 . 2]" 1
711 1 43 PHE QD 1 53 TRP HZ2 . . 4.650 3.098 2.580 3.624 . 0 0 "[ . 1 . 2]" 1
712 1 43 PHE QE 1 53 TRP HH2 . . 5.030 3.813 3.174 4.345 . 0 0 "[ . 1 . 2]" 1
713 1 43 PHE QE 1 53 TRP HZ2 . . 5.000 4.480 3.467 5.008 0.008 19 0 "[ . 1 . 2]" 1
714 1 44 LYS H 1 44 LYS HD2 . . 5.080 4.717 4.143 5.078 . 0 0 "[ . 1 . 2]" 1
715 1 44 LYS H 1 44 LYS QE . . 4.310 3.801 3.448 4.097 . 0 0 "[ . 1 . 2]" 1
716 1 44 LYS H 1 44 LYS HG2 . . 4.050 3.408 2.332 3.820 . 0 0 "[ . 1 . 2]" 1
717 1 44 LYS H 1 44 LYS HG3 . . 3.810 2.445 2.168 3.628 . 0 0 "[ . 1 . 2]" 1
718 1 44 LYS H 1 45 ASP H . . 4.700 4.283 4.103 4.363 . 0 0 "[ . 1 . 2]" 1
719 1 44 LYS H 1 45 ASP HA . . 5.500 4.480 4.369 4.643 . 0 0 "[ . 1 . 2]" 1
720 1 44 LYS H 1 50 THR HA . . 5.370 4.545 4.289 4.781 . 0 0 "[ . 1 . 2]" 1
721 1 44 LYS H 1 50 THR MG . . 5.410 5.139 4.687 5.412 0.002 17 0 "[ . 1 . 2]" 1
722 1 44 LYS H 1 53 TRP HA . . 3.890 3.499 2.763 3.884 . 0 0 "[ . 1 . 2]" 1
723 1 44 LYS H 1 53 TRP HD1 . . 4.410 3.883 3.380 4.318 . 0 0 "[ . 1 . 2]" 1
724 1 44 LYS H 1 54 LEU H . . 4.430 3.836 3.156 4.205 . 0 0 "[ . 1 . 2]" 1
725 1 44 LYS H 1 54 LEU HB3 . . 5.500 4.959 4.577 5.301 . 0 0 "[ . 1 . 2]" 1
726 1 44 LYS HA 1 44 LYS HG3 . . 4.200 3.575 3.515 3.868 . 0 0 "[ . 1 . 2]" 1
727 1 44 LYS HA 1 45 ASP H . . 2.990 2.503 2.204 2.852 . 0 0 "[ . 1 . 2]" 1
728 1 44 LYS HA 1 50 THR HA . . 3.170 2.175 1.998 2.351 . 0 0 "[ . 1 . 2]" 1
729 1 44 LYS HA 1 50 THR HB . . 4.480 4.382 4.093 4.484 0.004 6 0 "[ . 1 . 2]" 1
730 1 44 LYS HA 1 50 THR MG . . 4.020 3.578 3.273 3.909 . 0 0 "[ . 1 . 2]" 1
731 1 44 LYS HA 1 52 TRP H . . 4.530 3.710 3.084 4.191 . 0 0 "[ . 1 . 2]" 1
732 1 44 LYS HA 1 53 TRP HD1 . . 3.890 3.546 3.105 3.885 . 0 0 "[ . 1 . 2]" 1
733 1 44 LYS HA 1 53 TRP HE1 . . 5.500 4.692 4.199 5.078 . 0 0 "[ . 1 . 2]" 1
734 1 44 LYS HB2 1 44 LYS HD2 . . 3.250 2.193 1.981 3.695 0.445 11 0 "[ . 1 . 2]" 1
735 1 44 LYS HB2 1 45 ASP H . . 3.810 2.553 1.944 3.318 . 0 0 "[ . 1 . 2]" 1
736 1 44 LYS HB2 1 48 GLY H . . 4.470 3.976 2.237 4.447 . 0 0 "[ . 1 . 2]" 1
737 1 44 LYS HB2 1 48 GLY HA2 . . 3.910 2.786 2.542 3.919 0.009 5 0 "[ . 1 . 2]" 1
738 1 44 LYS HB2 1 48 GLY HA3 . . 4.260 4.217 3.908 4.265 0.005 8 0 "[ . 1 . 2]" 1
739 1 44 LYS HB2 1 49 ASN H . . 4.970 3.447 2.062 4.406 . 0 0 "[ . 1 . 2]" 1
740 1 44 LYS HB2 1 50 THR HA . . 4.410 3.651 3.048 4.182 . 0 0 "[ . 1 . 2]" 1
741 1 44 LYS HB2 1 50 THR MG . . 4.090 3.320 2.742 3.719 . 0 0 "[ . 1 . 2]" 1
742 1 44 LYS HB3 1 44 LYS HD2 . . 3.790 3.347 3.118 3.680 . 0 0 "[ . 1 . 2]" 1
743 1 44 LYS HB3 1 45 ASP H . . 4.060 3.805 3.469 4.111 0.051 15 0 "[ . 1 . 2]" 1
744 1 44 LYS HB3 1 48 GLY HA2 . . 4.700 4.281 3.795 4.649 . 0 0 "[ . 1 . 2]" 1
745 1 44 LYS HB3 1 49 ASN H . . 5.500 4.848 3.482 5.513 0.013 19 0 "[ . 1 . 2]" 1
746 1 44 LYS HB3 1 50 THR HA . . 4.050 2.951 2.015 3.679 . 0 0 "[ . 1 . 2]" 1
747 1 44 LYS HB3 1 50 THR MG . . 3.360 2.438 1.985 2.862 . 0 0 "[ . 1 . 2]" 1
748 1 44 LYS HD2 1 48 GLY H . . 4.970 3.702 3.225 4.697 . 0 0 "[ . 1 . 2]" 1
749 1 44 LYS HD2 1 48 GLY HA2 . . 3.580 2.329 1.997 3.725 0.145 5 0 "[ . 1 . 2]" 1
750 1 44 LYS HD2 1 48 GLY HA3 . . 3.980 3.879 3.405 4.877 0.897 5 2 "[ +- 1 . 2]" 1
751 1 44 LYS QE 1 44 LYS HG2 . . 3.460 2.861 2.014 3.210 . 0 0 "[ . 1 . 2]" 1
752 1 44 LYS QE 1 44 LYS HG3 . . 3.520 2.160 1.963 3.261 . 0 0 "[ . 1 . 2]" 1
753 1 44 LYS HG3 1 45 ASP H . . 4.640 4.128 3.482 4.684 0.044 15 0 "[ . 1 . 2]" 1
754 1 45 ASP H 1 45 ASP QB . . 3.910 2.787 1.997 3.266 . 0 0 "[ . 1 . 2]" 1
755 1 45 ASP H 1 46 VAL H . . 5.370 4.372 2.969 4.620 . 0 0 "[ . 1 . 2]" 1
756 1 45 ASP H 1 52 TRP H . . 4.990 4.102 3.018 5.003 0.013 13 0 "[ . 1 . 2]" 1
757 1 45 ASP H 1 63 TYR QE . . 5.070 4.834 4.118 5.086 0.016 16 0 "[ . 1 . 2]" 1
758 1 45 ASP HA 1 46 VAL H . . 3.440 2.780 2.603 3.600 0.160 5 0 "[ . 1 . 2]" 1
759 1 45 ASP HA 1 63 TYR QE . . 3.020 2.383 1.907 2.987 . 0 0 "[ . 1 . 2]" 1
760 1 45 ASP QB 1 46 VAL H . . 3.240 2.133 1.909 2.322 . 0 0 "[ . 1 . 2]" 1
761 1 45 ASP QB 1 46 VAL QG . . 4.740 2.761 2.281 4.027 . 0 0 "[ . 1 . 2]" 1
762 1 45 ASP QB 1 47 THR H . . 5.060 2.827 2.033 4.458 . 0 0 "[ . 1 . 2]" 1
763 1 45 ASP QB 1 52 TRP QB . . 3.880 2.408 1.982 2.837 . 0 0 "[ . 1 . 2]" 1
764 1 45 ASP QB 1 63 TYR QD . . 4.780 3.604 2.938 4.476 . 0 0 "[ . 1 . 2]" 1
765 1 45 ASP QB 1 63 TYR QE . . 4.220 3.277 2.680 3.904 . 0 0 "[ . 1 . 2]" 1
766 1 46 VAL H 1 46 VAL HB . . 3.550 3.370 1.964 3.561 0.011 5 0 "[ . 1 . 2]" 1
767 1 46 VAL H 1 46 VAL QG . . 3.300 1.949 1.789 2.830 . 0 0 "[ . 1 . 2]" 1
768 1 46 VAL H 1 47 THR H . . 3.700 2.822 2.350 3.470 . 0 0 "[ . 1 . 2]" 1
769 1 46 VAL H 1 47 THR MG . . 5.050 4.125 3.562 5.007 . 0 0 "[ . 1 . 2]" 1
770 1 46 VAL H 1 48 GLY H . . 5.500 4.141 3.400 4.592 . 0 0 "[ . 1 . 2]" 1
771 1 46 VAL H 1 63 TYR QE . . 4.570 3.139 2.446 4.591 0.021 5 0 "[ . 1 . 2]" 1
772 1 46 VAL HA 1 46 VAL HB . . 3.000 2.546 2.344 2.915 . 0 0 "[ . 1 . 2]" 1
773 1 46 VAL HA 1 46 VAL QG . . 3.230 2.177 1.942 2.401 . 0 0 "[ . 1 . 2]" 1
774 1 46 VAL HA 1 48 GLY H . . 5.000 3.867 3.418 4.424 . 0 0 "[ . 1 . 2]" 1
775 1 46 VAL HB 1 47 THR H . . 5.050 3.593 2.567 4.540 . 0 0 "[ . 1 . 2]" 1
776 1 46 VAL HB 1 48 GLY H . . 5.400 5.136 4.945 5.397 . 0 0 "[ . 1 . 2]" 1
777 1 46 VAL QG 1 47 THR H . . 4.080 2.125 1.795 3.636 . 0 0 "[ . 1 . 2]" 1
778 1 46 VAL QG 1 47 THR MG . . 3.290 2.579 1.991 3.232 . 0 0 "[ . 1 . 2]" 1
779 1 46 VAL QG 1 63 TYR QE . . 4.630 2.563 1.862 3.734 . 0 0 "[ . 1 . 2]" 1
780 1 47 THR H 1 47 THR MG . . 3.460 2.244 1.899 3.448 . 0 0 "[ . 1 . 2]" 1
781 1 47 THR H 1 48 GLY HA2 . . 5.500 4.994 4.726 5.396 . 0 0 "[ . 1 . 2]" 1
782 1 47 THR H 1 63 TYR QE . . 5.110 5.032 3.812 5.145 0.035 1 0 "[ . 1 . 2]" 1
783 1 47 THR HA 1 47 THR MG . . 3.150 2.724 2.183 3.237 0.087 3 0 "[ . 1 . 2]" 1
784 1 47 THR MG 1 48 GLY H . . 5.180 3.677 1.965 4.433 . 0 0 "[ . 1 . 2]" 1
785 1 48 GLY H 1 49 ASN H . . 3.220 2.687 1.976 3.222 0.002 10 0 "[ . 1 . 2]" 1
786 1 48 GLY H 1 49 ASN HB2 . . 5.500 4.719 4.248 5.507 0.007 6 0 "[ . 1 . 2]" 1
787 1 49 ASN H 1 49 ASN HB2 . . 3.460 2.719 2.200 3.544 0.084 6 0 "[ . 1 . 2]" 1
788 1 49 ASN H 1 49 ASN HB3 . . 3.460 2.747 2.355 3.196 . 0 0 "[ . 1 . 2]" 1
789 1 49 ASN H 1 50 THR H . . 4.990 4.280 1.955 4.656 . 0 0 "[ . 1 . 2]" 1
790 1 49 ASN H 1 51 GLU H . . 5.350 4.736 3.291 5.357 0.007 5 0 "[ . 1 . 2]" 1
791 1 49 ASN HA 1 50 THR H . . 3.160 2.347 2.256 3.238 0.078 12 0 "[ . 1 . 2]" 1
792 1 49 ASN HA 1 50 THR MG . . 3.650 3.357 3.208 3.657 0.007 20 0 "[ . 1 . 2]" 1
793 1 49 ASN HA 1 51 GLU H . . 4.820 4.018 3.289 4.391 . 0 0 "[ . 1 . 2]" 1
794 1 49 ASN HB2 1 50 THR H . . 4.960 4.315 2.368 4.704 . 0 0 "[ . 1 . 2]" 1
795 1 49 ASN HB2 1 51 GLU H . . 5.450 4.425 2.734 4.693 . 0 0 "[ . 1 . 2]" 1
796 1 49 ASN HB3 1 50 THR H . . 4.660 4.067 3.750 4.338 . 0 0 "[ . 1 . 2]" 1
797 1 49 ASN HB3 1 51 GLU H . . 5.460 3.187 2.884 4.138 . 0 0 "[ . 1 . 2]" 1
798 1 49 ASN HB3 1 52 TRP H . . 5.490 3.798 2.793 5.687 0.197 6 0 "[ . 1 . 2]" 1
799 1 49 ASN HB3 1 52 TRP HD1 . . 4.490 3.804 2.933 4.967 0.477 6 0 "[ . 1 . 2]" 1
800 1 49 ASN HD21 1 51 GLU HB2 . . 5.340 2.909 2.132 4.294 . 0 0 "[ . 1 . 2]" 1
801 1 49 ASN HD21 1 52 TRP HD1 . . 4.350 3.556 1.979 4.363 0.013 8 0 "[ . 1 . 2]" 1
802 1 49 ASN HD22 1 51 GLU HB2 . . 4.920 2.742 2.167 4.041 . 0 0 "[ . 1 . 2]" 1
803 1 49 ASN HD22 1 51 GLU HB3 . . 5.390 3.752 2.078 5.176 . 0 0 "[ . 1 . 2]" 1
804 1 49 ASN HD22 1 52 TRP HD1 . . 5.070 4.410 2.424 5.103 0.033 8 0 "[ . 1 . 2]" 1
805 1 50 THR H 1 50 THR MG . . 3.110 2.102 1.862 2.631 . 0 0 "[ . 1 . 2]" 1
806 1 50 THR H 1 51 GLU H . . 3.440 3.079 2.441 3.445 0.005 11 0 "[ . 1 . 2]" 1
807 1 50 THR H 1 51 GLU HG3 . . 5.160 4.537 4.115 5.896 0.736 8 1 "[ . + 1 . 2]" 1
808 1 50 THR H 1 52 TRP H . . 5.500 4.898 4.199 5.309 . 0 0 "[ . 1 . 2]" 1
809 1 50 THR HA 1 50 THR MG . . 3.110 2.550 2.458 2.631 . 0 0 "[ . 1 . 2]" 1
810 1 50 THR HA 1 52 TRP H . . 4.410 3.679 3.227 4.013 . 0 0 "[ . 1 . 2]" 1
811 1 50 THR HA 1 53 TRP HD1 . . 4.830 3.628 3.055 4.020 . 0 0 "[ . 1 . 2]" 1
812 1 50 THR HA 1 53 TRP HE1 . . 4.810 3.612 3.049 4.179 . 0 0 "[ . 1 . 2]" 1
813 1 50 THR HB 1 53 TRP HE1 . . 4.210 3.092 2.443 3.710 . 0 0 "[ . 1 . 2]" 1
814 1 50 THR MG 1 51 GLU H . . 4.980 4.250 3.887 4.392 . 0 0 "[ . 1 . 2]" 1
815 1 50 THR MG 1 53 TRP HE1 . . 4.990 4.428 3.708 4.922 . 0 0 "[ . 1 . 2]" 1
816 1 51 GLU H 1 51 GLU HB2 . . 3.420 2.387 2.130 3.751 0.331 8 0 "[ . 1 . 2]" 1
817 1 51 GLU H 1 51 GLU HB3 . . 3.840 3.486 2.843 3.612 . 0 0 "[ . 1 . 2]" 1
818 1 51 GLU H 1 51 GLU HG2 . . 4.000 3.680 2.702 3.961 . 0 0 "[ . 1 . 2]" 1
819 1 51 GLU H 1 51 GLU HG3 . . 3.800 3.418 2.679 3.852 0.052 16 0 "[ . 1 . 2]" 1
820 1 51 GLU H 1 52 TRP H . . 3.440 2.121 1.878 2.778 . 0 0 "[ . 1 . 2]" 1
821 1 51 GLU H 1 52 TRP HD1 . . 5.060 4.169 3.417 4.991 . 0 0 "[ . 1 . 2]" 1
822 1 51 GLU HA 1 51 GLU HG2 . . 3.470 2.215 2.023 4.030 0.560 8 1 "[ . + 1 . 2]" 1
823 1 51 GLU HA 1 51 GLU HG3 . . 3.950 3.236 2.499 3.539 . 0 0 "[ . 1 . 2]" 1
824 1 51 GLU HA 1 66 SER H . . 4.580 4.059 3.628 4.495 . 0 0 "[ . 1 . 2]" 1
825 1 51 GLU HA 1 66 SER HB3 . . 5.140 3.554 2.959 4.055 . 0 0 "[ . 1 . 2]" 1
826 1 51 GLU HB2 1 51 GLU HG2 . . 3.030 2.952 2.823 3.034 0.004 3 0 "[ . 1 . 2]" 1
827 1 51 GLU HB2 1 52 TRP H . . 4.190 3.172 2.870 4.228 0.038 8 0 "[ . 1 . 2]" 1
828 1 51 GLU HB2 1 52 TRP HD1 . . 4.150 3.170 2.447 4.223 0.073 8 0 "[ . 1 . 2]" 1
829 1 51 GLU HB3 1 52 TRP H . . 4.360 3.692 3.421 4.042 . 0 0 "[ . 1 . 2]" 1
830 1 51 GLU HB3 1 52 TRP HD1 . . 4.350 3.441 2.514 4.524 0.174 8 0 "[ . 1 . 2]" 1
831 1 51 GLU HB3 1 66 SER H . . 5.430 4.718 3.986 6.114 0.684 8 1 "[ . + 1 . 2]" 1
832 1 52 TRP H 1 52 TRP QB . . 3.660 2.457 2.322 2.615 . 0 0 "[ . 1 . 2]" 1
833 1 52 TRP H 1 52 TRP HD1 . . 3.890 3.235 2.595 3.605 . 0 0 "[ . 1 . 2]" 1
834 1 52 TRP H 1 53 TRP H . . 5.270 4.354 4.107 4.494 . 0 0 "[ . 1 . 2]" 1
835 1 52 TRP H 1 53 TRP HD1 . . 4.640 3.919 3.707 4.080 . 0 0 "[ . 1 . 2]" 1
836 1 52 TRP H 1 66 SER H . . 5.500 5.248 4.503 5.449 . 0 0 "[ . 1 . 2]" 1
837 1 52 TRP HA 1 52 TRP HE3 . . 4.330 3.070 2.624 3.703 . 0 0 "[ . 1 . 2]" 1
838 1 52 TRP HA 1 53 TRP H . . 3.270 2.243 2.206 2.307 . 0 0 "[ . 1 . 2]" 1
839 1 52 TRP HA 1 65 PRO HA . . 3.340 2.964 2.633 3.271 . 0 0 "[ . 1 . 2]" 1
840 1 52 TRP HA 1 66 SER H . . 3.800 3.496 2.159 3.811 0.011 10 0 "[ . 1 . 2]" 1
841 1 52 TRP QB 1 52 TRP HE3 . . 3.920 2.520 2.336 2.682 . 0 0 "[ . 1 . 2]" 1
842 1 52 TRP QB 1 53 TRP H . . 4.590 3.251 2.891 3.637 . 0 0 "[ . 1 . 2]" 1
843 1 52 TRP QB 1 63 TYR HB2 . . 4.310 3.744 3.425 4.069 . 0 0 "[ . 1 . 2]" 1
844 1 52 TRP QB 1 63 TYR HB3 . . 3.960 2.133 1.950 2.478 . 0 0 "[ . 1 . 2]" 1
845 1 52 TRP QB 1 63 TYR QD . . 4.090 3.068 2.425 3.681 . 0 0 "[ . 1 . 2]" 1
846 1 52 TRP QB 1 64 VAL H . . 5.500 3.643 3.165 4.086 . 0 0 "[ . 1 . 2]" 1
847 1 52 TRP HE3 1 53 TRP H . . 4.940 3.720 3.008 4.392 . 0 0 "[ . 1 . 2]" 1
848 1 52 TRP HE3 1 63 TYR HA . . 4.740 3.957 3.603 4.563 . 0 0 "[ . 1 . 2]" 1
849 1 52 TRP HE3 1 63 TYR HB2 . . 4.010 3.872 3.571 4.033 0.023 13 0 "[ . 1 . 2]" 1
850 1 52 TRP HE3 1 63 TYR HB3 . . 3.540 2.652 2.156 3.173 . 0 0 "[ . 1 . 2]" 1
851 1 52 TRP HE3 1 64 VAL H . . 4.590 3.123 2.634 3.572 . 0 0 "[ . 1 . 2]" 1
852 1 52 TRP HE3 1 64 VAL HA . . 4.400 2.705 2.521 2.964 . 0 0 "[ . 1 . 2]" 1
853 1 52 TRP HE3 1 65 PRO HA . . 4.080 3.573 3.186 3.874 . 0 0 "[ . 1 . 2]" 1
854 1 52 TRP HE3 1 65 PRO HD3 . . 4.190 3.745 3.391 4.086 . 0 0 "[ . 1 . 2]" 1
855 1 52 TRP HH2 1 65 PRO HD3 . . 5.050 4.086 3.395 4.539 . 0 0 "[ . 1 . 2]" 1
856 1 52 TRP HH2 1 65 PRO HG3 . . 4.160 4.029 2.616 4.185 0.025 10 0 "[ . 1 . 2]" 1
857 1 52 TRP HZ3 1 64 VAL HA . . 3.850 2.478 1.995 3.192 . 0 0 "[ . 1 . 2]" 1
858 1 52 TRP HZ3 1 65 PRO HD3 . . 3.520 2.408 1.924 2.854 . 0 0 "[ . 1 . 2]" 1
859 1 52 TRP HZ3 1 65 PRO HG3 . . 4.280 3.693 3.108 4.215 . 0 0 "[ . 1 . 2]" 1
860 1 53 TRP H 1 53 TRP HB2 . . 3.630 2.377 2.265 2.485 . 0 0 "[ . 1 . 2]" 1
861 1 53 TRP H 1 53 TRP HD1 . . 4.760 3.534 3.291 3.732 . 0 0 "[ . 1 . 2]" 1
862 1 53 TRP H 1 63 TYR HA . . 5.460 4.347 3.880 5.038 . 0 0 "[ . 1 . 2]" 1
863 1 53 TRP H 1 63 TYR HB3 . . 5.280 4.703 4.010 5.314 0.034 13 0 "[ . 1 . 2]" 1
864 1 53 TRP H 1 63 TYR QD . . 4.970 4.444 3.715 4.844 . 0 0 "[ . 1 . 2]" 1
865 1 53 TRP H 1 64 VAL H . . 3.830 2.901 2.315 3.829 . 0 0 "[ . 1 . 2]" 1
866 1 53 TRP H 1 64 VAL MG2 . . 4.740 3.789 3.489 4.286 . 0 0 "[ . 1 . 2]" 1
867 1 53 TRP H 1 65 PRO HA . . 4.340 3.876 3.674 4.162 . 0 0 "[ . 1 . 2]" 1
868 1 53 TRP H 1 66 SER H . . 4.580 4.224 2.996 4.603 0.023 19 0 "[ . 1 . 2]" 1
869 1 53 TRP H 1 69 ILE MD . . 5.500 4.258 4.001 4.555 . 0 0 "[ . 1 . 2]" 1
870 1 53 TRP HA 1 53 TRP HD1 . . 3.250 2.218 2.145 2.297 . 0 0 "[ . 1 . 2]" 1
871 1 53 TRP HA 1 53 TRP HE1 . . 5.490 4.702 4.635 4.787 . 0 0 "[ . 1 . 2]" 1
872 1 53 TRP HA 1 54 LEU H . . 3.090 2.307 2.229 2.593 . 0 0 "[ . 1 . 2]" 1
873 1 53 TRP HA 1 63 TYR QD . . 4.530 4.211 3.706 4.530 . 0 0 "[ . 1 . 2]" 1
874 1 53 TRP HB2 1 53 TRP HE3 . . 4.120 2.914 2.696 3.109 . 0 0 "[ . 1 . 2]" 1
875 1 53 TRP HB2 1 54 LEU H . . 4.530 4.168 3.555 4.336 . 0 0 "[ . 1 . 2]" 1
876 1 53 TRP HB2 1 64 VAL H . . 5.170 3.993 3.550 4.308 . 0 0 "[ . 1 . 2]" 1
877 1 53 TRP HB2 1 64 VAL MG2 . . 4.410 3.633 3.235 3.915 . 0 0 "[ . 1 . 2]" 1
878 1 53 TRP HB2 1 69 ILE MD . . 3.860 3.125 2.867 3.307 . 0 0 "[ . 1 . 2]" 1
879 1 53 TRP HB3 1 53 TRP HE3 . . 4.090 2.837 2.655 3.063 . 0 0 "[ . 1 . 2]" 1
880 1 53 TRP HB3 1 54 LEU H . . 4.010 3.023 2.263 3.323 . 0 0 "[ . 1 . 2]" 1
881 1 53 TRP HB3 1 69 ILE MD . . 4.350 4.240 3.946 4.402 0.052 13 0 "[ . 1 . 2]" 1
882 1 53 TRP HD1 1 54 LEU H . . 4.420 4.396 4.276 4.486 0.066 19 0 "[ . 1 . 2]" 1
883 1 53 TRP HD1 1 66 SER HB2 . . 4.930 4.810 4.550 4.938 0.008 16 0 "[ . 1 . 2]" 1
884 1 53 TRP HD1 1 66 SER HB3 . . 4.820 3.635 3.447 3.819 . 0 0 "[ . 1 . 2]" 1
885 1 53 TRP HE1 1 66 SER HB2 . . 4.630 3.933 3.557 4.246 . 0 0 "[ . 1 . 2]" 1
886 1 53 TRP HE1 1 66 SER HB3 . . 4.500 3.623 3.143 3.981 . 0 0 "[ . 1 . 2]" 1
887 1 53 TRP HE3 1 69 ILE MD . . 3.540 3.301 3.078 3.461 . 0 0 "[ . 1 . 2]" 1
888 1 53 TRP HE3 1 69 ILE MG . . 3.640 2.316 2.106 2.581 . 0 0 "[ . 1 . 2]" 1
889 1 53 TRP HH2 1 69 ILE MG . . 5.110 4.098 3.616 4.511 . 0 0 "[ . 1 . 2]" 1
890 1 53 TRP HZ2 1 66 SER HB2 . . 4.800 3.755 3.108 4.475 . 0 0 "[ . 1 . 2]" 1
891 1 53 TRP HZ3 1 69 ILE HB . . 4.550 3.230 2.182 3.918 . 0 0 "[ . 1 . 2]" 1
892 1 53 TRP HZ3 1 69 ILE MD . . 4.490 4.411 4.140 4.513 0.023 16 0 "[ . 1 . 2]" 1
893 1 53 TRP HZ3 1 69 ILE MG . . 3.380 2.201 1.885 2.610 . 0 0 "[ . 1 . 2]" 1
894 1 54 LEU H 1 54 LEU HB2 . . 3.910 2.625 2.358 2.944 . 0 0 "[ . 1 . 2]" 1
895 1 54 LEU H 1 54 LEU HB3 . . 3.730 2.486 2.295 2.654 . 0 0 "[ . 1 . 2]" 1
896 1 54 LEU H 1 54 LEU QD . . 4.560 3.735 3.688 3.871 . 0 0 "[ . 1 . 2]" 1
897 1 54 LEU H 1 63 TYR QE . . 4.620 4.354 3.880 4.633 0.013 6 0 "[ . 1 . 2]" 1
898 1 54 LEU HA 1 54 LEU QD . . 3.030 2.051 1.924 2.321 . 0 0 "[ . 1 . 2]" 1
899 1 54 LEU HA 1 54 LEU HG . . 4.080 3.178 2.753 3.343 . 0 0 "[ . 1 . 2]" 1
900 1 54 LEU HA 1 55 ALA H . . 3.020 2.205 2.178 2.249 . 0 0 "[ . 1 . 2]" 1
901 1 54 LEU HA 1 55 ALA HA . . 4.750 4.390 4.373 4.415 . 0 0 "[ . 1 . 2]" 1
902 1 54 LEU HA 1 55 ALA MB . . 4.650 3.977 3.850 4.076 . 0 0 "[ . 1 . 2]" 1
903 1 54 LEU HA 1 62 GLY H . . 5.120 3.998 3.712 4.236 . 0 0 "[ . 1 . 2]" 1
904 1 54 LEU HA 1 63 TYR HA . . 3.330 2.550 2.045 2.749 . 0 0 "[ . 1 . 2]" 1
905 1 54 LEU HA 1 63 TYR QD . . 4.000 2.818 1.966 3.567 . 0 0 "[ . 1 . 2]" 1
906 1 54 LEU HA 1 63 TYR QE . . 4.480 4.119 3.495 4.406 . 0 0 "[ . 1 . 2]" 1
907 1 54 LEU HA 1 64 VAL H . . 4.540 3.498 3.066 3.887 . 0 0 "[ . 1 . 2]" 1
908 1 54 LEU HB2 1 54 LEU QD . . 3.120 2.169 2.080 2.459 . 0 0 "[ . 1 . 2]" 1
909 1 54 LEU HB2 1 55 ALA H . . 4.520 4.513 4.392 4.598 0.078 14 0 "[ . 1 . 2]" 1
910 1 54 LEU HB2 1 63 TYR QD . . 5.170 3.029 2.624 3.493 . 0 0 "[ . 1 . 2]" 1
911 1 54 LEU HB2 1 63 TYR QE . . 3.650 2.515 2.067 2.982 . 0 0 "[ . 1 . 2]" 1
912 1 54 LEU HB3 1 55 ALA H . . 5.410 4.431 4.119 4.597 . 0 0 "[ . 1 . 2]" 1
913 1 54 LEU HB3 1 63 TYR QE . . 4.230 4.124 3.623 4.263 0.033 11 0 "[ . 1 . 2]" 1
914 1 54 LEU QD 1 55 ALA H . . 3.410 2.607 1.864 3.187 . 0 0 "[ . 1 . 2]" 1
915 1 54 LEU QD 1 61 LYS HA . . 4.560 3.348 3.010 3.617 . 0 0 "[ . 1 . 2]" 1
916 1 54 LEU QD 1 61 LYS HB2 . . 4.190 3.470 3.019 3.860 . 0 0 "[ . 1 . 2]" 1
917 1 54 LEU QD 1 61 LYS HB3 . . 3.560 2.219 1.931 2.520 . 0 0 "[ . 1 . 2]" 1
918 1 54 LEU QD 1 61 LYS HD2 . . 4.690 3.342 2.572 4.854 0.164 11 0 "[ . 1 . 2]" 1
919 1 54 LEU QD 1 61 LYS HG2 . . 4.290 3.606 3.188 3.921 . 0 0 "[ . 1 . 2]" 1
920 1 54 LEU QD 1 62 GLY H . . 3.530 2.149 1.922 2.476 . 0 0 "[ . 1 . 2]" 1
921 1 54 LEU QD 1 62 GLY HA2 . . 3.470 3.142 2.792 3.513 0.043 15 0 "[ . 1 . 2]" 1
922 1 54 LEU QD 1 62 GLY HA3 . . 3.900 3.861 3.670 3.975 0.075 19 0 "[ . 1 . 2]" 1
923 1 54 LEU QD 1 63 TYR H . . 4.820 3.599 3.154 4.100 . 0 0 "[ . 1 . 2]" 1
924 1 54 LEU QD 1 63 TYR HA . . 4.040 3.000 2.622 3.314 . 0 0 "[ . 1 . 2]" 1
925 1 54 LEU QD 1 63 TYR QD . . 4.040 2.896 2.554 3.240 . 0 0 "[ . 1 . 2]" 1
926 1 54 LEU QD 1 63 TYR QE . . 3.680 2.844 2.461 3.043 . 0 0 "[ . 1 . 2]" 1
927 1 54 LEU QD 1 64 VAL H . . 5.500 4.411 3.968 4.755 . 0 0 "[ . 1 . 2]" 1
928 1 54 LEU HG 1 55 ALA H . . 4.430 3.962 3.509 4.242 . 0 0 "[ . 1 . 2]" 1
929 1 54 LEU HG 1 62 GLY H . . 5.320 4.136 3.632 4.478 . 0 0 "[ . 1 . 2]" 1
930 1 54 LEU HG 1 63 TYR QE . . 5.500 4.847 2.074 5.363 . 0 0 "[ . 1 . 2]" 1
931 1 55 ALA H 1 55 ALA MB . . 3.290 2.274 2.091 2.468 . 0 0 "[ . 1 . 2]" 1
932 1 55 ALA H 1 62 GLY H . . 3.730 3.256 2.732 3.736 0.006 6 0 "[ . 1 . 2]" 1
933 1 55 ALA H 1 63 TYR HA . . 3.960 3.559 2.862 3.841 . 0 0 "[ . 1 . 2]" 1
934 1 55 ALA H 1 64 VAL MG2 . . 4.820 2.478 2.079 2.988 . 0 0 "[ . 1 . 2]" 1
935 1 55 ALA HA 1 56 GLU H . . 3.160 2.297 2.221 2.394 . 0 0 "[ . 1 . 2]" 1
936 1 55 ALA HA 1 56 GLU HB2 . . 4.840 4.352 4.168 4.469 . 0 0 "[ . 1 . 2]" 1
937 1 55 ALA MB 1 56 GLU H . . 3.230 2.916 2.669 3.133 . 0 0 "[ . 1 . 2]" 1
938 1 55 ALA MB 1 57 VAL H . . 4.660 4.403 3.896 4.685 0.025 20 0 "[ . 1 . 2]" 1
939 1 55 ALA MB 1 57 VAL QG . . 4.010 3.176 2.543 3.684 . 0 0 "[ . 1 . 2]" 1
940 1 55 ALA MB 1 64 VAL H . . 5.190 3.984 3.657 4.392 . 0 0 "[ . 1 . 2]" 1
941 1 55 ALA MB 1 64 VAL HB . . 4.720 3.670 3.371 3.954 . 0 0 "[ . 1 . 2]" 1
942 1 55 ALA MB 1 64 VAL MG1 . . 3.630 3.535 3.273 3.664 0.034 18 0 "[ . 1 . 2]" 1
943 1 55 ALA MB 1 64 VAL MG2 . . 3.050 1.780 1.631 1.926 . 0 0 "[ . 1 . 2]" 1
944 1 56 GLU H 1 56 GLU HB2 . . 3.940 3.049 2.834 3.295 . 0 0 "[ . 1 . 2]" 1
945 1 56 GLU H 1 56 GLU HB3 . . 3.660 2.676 2.533 2.810 . 0 0 "[ . 1 . 2]" 1
946 1 56 GLU H 1 56 GLU HG2 . . 4.860 4.419 4.347 4.568 . 0 0 "[ . 1 . 2]" 1
947 1 56 GLU H 1 56 GLU HG3 . . 4.830 4.769 4.618 4.870 0.040 16 0 "[ . 1 . 2]" 1
948 1 56 GLU HA 1 56 GLU HG2 . . 3.820 2.774 2.446 3.052 . 0 0 "[ . 1 . 2]" 1
949 1 56 GLU HA 1 56 GLU HG3 . . 3.620 2.769 2.405 3.240 . 0 0 "[ . 1 . 2]" 1
950 1 56 GLU HA 1 57 VAL H . . 2.910 2.226 2.202 2.312 . 0 0 "[ . 1 . 2]" 1
951 1 56 GLU HA 1 60 LYS H . . 5.400 4.467 3.462 5.280 . 0 0 "[ . 1 . 2]" 1
952 1 56 GLU HA 1 61 LYS H . . 5.500 4.675 4.311 5.015 . 0 0 "[ . 1 . 2]" 1
953 1 56 GLU HA 1 61 LYS HA . . 3.050 2.444 2.081 2.718 . 0 0 "[ . 1 . 2]" 1
954 1 56 GLU HA 1 61 LYS HB2 . . 5.500 5.109 4.680 5.305 . 0 0 "[ . 1 . 2]" 1
955 1 56 GLU HA 1 61 LYS HB3 . . 4.680 4.460 4.056 4.728 0.048 19 0 "[ . 1 . 2]" 1
956 1 56 GLU HA 1 61 LYS HG2 . . 4.150 3.056 2.239 3.610 . 0 0 "[ . 1 . 2]" 1
957 1 56 GLU HA 1 62 GLY H . . 4.430 3.934 3.483 4.238 . 0 0 "[ . 1 . 2]" 1
958 1 56 GLU HB2 1 61 LYS HA . . 4.170 3.556 2.613 4.114 . 0 0 "[ . 1 . 2]" 1
959 1 56 GLU HB2 1 61 LYS HG2 . . 3.570 2.154 1.963 2.751 . 0 0 "[ . 1 . 2]" 1
960 1 56 GLU HB3 1 57 VAL H . . 4.600 4.433 4.237 4.571 . 0 0 "[ . 1 . 2]" 1
961 1 56 GLU HG2 1 57 VAL H . . 3.800 3.254 2.712 3.836 0.036 19 0 "[ . 1 . 2]" 1
962 1 56 GLU HG2 1 59 GLY H . . 4.230 2.952 2.139 4.061 . 0 0 "[ . 1 . 2]" 1
963 1 56 GLU HG2 1 59 GLY HA2 . . 4.500 3.215 2.678 3.878 . 0 0 "[ . 1 . 2]" 1
964 1 56 GLU HG2 1 59 GLY HA3 . . 4.730 4.625 4.073 4.767 0.037 18 0 "[ . 1 . 2]" 1
965 1 56 GLU HG2 1 60 LYS H . . 4.820 3.499 2.230 4.368 . 0 0 "[ . 1 . 2]" 1
966 1 56 GLU HG2 1 61 LYS HA . . 5.210 4.303 3.740 4.733 . 0 0 "[ . 1 . 2]" 1
967 1 56 GLU HG2 1 61 LYS HG2 . . 4.300 3.625 3.344 4.305 0.005 19 0 "[ . 1 . 2]" 1
968 1 56 GLU HG3 1 57 VAL H . . 4.320 4.037 3.548 4.333 0.013 19 0 "[ . 1 . 2]" 1
969 1 56 GLU HG3 1 60 LYS H . . 4.820 4.018 2.425 4.840 0.020 20 0 "[ . 1 . 2]" 1
970 1 56 GLU HG3 1 61 LYS HA . . 4.460 3.388 2.430 4.397 . 0 0 "[ . 1 . 2]" 1
971 1 56 GLU HG3 1 61 LYS HG3 . . 3.930 2.141 1.976 2.548 . 0 0 "[ . 1 . 2]" 1
972 1 57 VAL H 1 57 VAL HB . . 3.890 2.600 2.254 3.819 . 0 0 "[ . 1 . 2]" 1
973 1 57 VAL H 1 57 VAL QG . . 4.110 2.443 1.903 3.081 . 0 0 "[ . 1 . 2]" 1
974 1 57 VAL H 1 60 LYS H . . 3.960 3.509 2.961 3.974 0.014 16 0 "[ . 1 . 2]" 1
975 1 57 VAL H 1 60 LYS HB2 . . 4.650 3.916 2.904 4.536 . 0 0 "[ . 1 . 2]" 1
976 1 57 VAL H 1 61 LYS HA . . 3.950 3.875 3.465 4.009 0.059 15 0 "[ . 1 . 2]" 1
977 1 57 VAL HA 1 57 VAL QG . . 3.330 2.169 2.068 2.306 . 0 0 "[ . 1 . 2]" 1
978 1 57 VAL HA 1 58 ASN H . . 3.520 2.777 2.188 3.599 0.079 1 0 "[ . 1 . 2]" 1
979 1 57 VAL HA 1 59 GLY H . . 5.000 4.318 3.125 5.001 0.001 9 0 "[ . 1 . 2]" 1
980 1 57 VAL QG 1 58 ASN H . . 4.960 2.650 1.875 3.539 . 0 0 "[ . 1 . 2]" 1
981 1 57 VAL QG 1 58 ASN HB2 . . 3.890 2.790 2.563 3.360 . 0 0 "[ . 1 . 2]" 1
982 1 57 VAL QG 1 58 ASN HB3 . . 4.470 4.068 3.486 4.421 . 0 0 "[ . 1 . 2]" 1
983 1 57 VAL QG 1 58 ASN HD21 . . 4.470 3.128 1.913 4.155 . 0 0 "[ . 1 . 2]" 1
984 1 57 VAL QG 1 58 ASN HD22 . . 5.500 4.041 2.631 5.156 . 0 0 "[ . 1 . 2]" 1
985 1 58 ASN H 1 59 GLY H . . 4.440 3.140 2.297 4.104 . 0 0 "[ . 1 . 2]" 1
986 1 58 ASN HA 1 59 GLY H . . 3.540 2.745 2.367 3.645 0.105 2 0 "[ . 1 . 2]" 1
987 1 58 ASN HA 1 60 LYS H . . 4.750 4.376 3.992 4.807 0.057 2 0 "[ . 1 . 2]" 1
988 1 59 GLY H 1 60 LYS H . . 3.460 2.927 1.957 3.487 0.027 20 0 "[ . 1 . 2]" 1
989 1 60 LYS H 1 60 LYS HB2 . . 3.270 2.406 2.050 2.848 . 0 0 "[ . 1 . 2]" 1
990 1 60 LYS H 1 60 LYS HG2 . . 4.360 3.619 2.463 4.318 . 0 0 "[ . 1 . 2]" 1
991 1 60 LYS H 1 60 LYS HG3 . . 4.210 3.498 2.548 4.210 . 0 0 "[ . 1 . 2]" 1
992 1 60 LYS H 1 61 LYS H . . 4.760 4.288 3.808 4.569 . 0 0 "[ . 1 . 2]" 1
993 1 60 LYS HA 1 60 LYS HD3 . . 4.090 3.560 2.610 4.066 . 0 0 "[ . 1 . 2]" 1
994 1 60 LYS HA 1 60 LYS HG2 . . 3.920 2.133 1.996 2.369 . 0 0 "[ . 1 . 2]" 1
995 1 60 LYS HA 1 61 LYS H . . 2.840 2.188 2.176 2.202 . 0 0 "[ . 1 . 2]" 1
996 1 60 LYS HA 1 61 LYS HA . . 4.720 4.375 4.351 4.397 . 0 0 "[ . 1 . 2]" 1
997 1 60 LYS HA 1 61 LYS HG3 . . 4.760 3.943 3.574 4.561 . 0 0 "[ . 1 . 2]" 1
998 1 60 LYS HB3 1 61 LYS H . . 3.930 3.749 3.388 3.952 0.022 16 0 "[ . 1 . 2]" 1
999 1 61 LYS H 1 61 LYS HB2 . . 3.830 2.447 2.179 2.704 . 0 0 "[ . 1 . 2]" 1
1000 1 61 LYS H 1 61 LYS HB3 . . 4.020 3.616 3.445 3.790 . 0 0 "[ . 1 . 2]" 1
1001 1 61 LYS H 1 61 LYS HD2 . . 5.500 4.526 4.069 5.153 . 0 0 "[ . 1 . 2]" 1
1002 1 61 LYS H 1 61 LYS HG3 . . 3.950 2.683 2.223 3.237 . 0 0 "[ . 1 . 2]" 1
1003 1 61 LYS HA 1 61 LYS HG2 . . 3.650 2.493 2.229 2.641 . 0 0 "[ . 1 . 2]" 1
1004 1 61 LYS HA 1 62 GLY H . . 3.000 2.289 2.186 2.417 . 0 0 "[ . 1 . 2]" 1
1005 1 61 LYS HB2 1 62 GLY H . . 4.300 4.081 3.773 4.381 0.081 20 0 "[ . 1 . 2]" 1
1006 1 61 LYS HB3 1 62 GLY H . . 4.050 3.002 2.628 3.443 . 0 0 "[ . 1 . 2]" 1
1007 1 61 LYS HD3 1 61 LYS HG2 . . 2.840 2.344 2.265 3.032 0.192 11 0 "[ . 1 . 2]" 1
1008 1 61 LYS HE2 1 61 LYS HG3 . . 3.720 2.823 2.024 3.647 . 0 0 "[ . 1 . 2]" 1
1009 1 61 LYS HE3 1 61 LYS HG3 . . 3.720 2.571 2.017 3.723 0.003 11 0 "[ . 1 . 2]" 1
1010 1 61 LYS HG2 1 62 GLY H . . 4.290 4.175 3.446 4.330 0.040 17 0 "[ . 1 . 2]" 1
1011 1 62 GLY HA2 1 63 TYR H . . 3.500 2.349 2.242 2.545 . 0 0 "[ . 1 . 2]" 1
1012 1 62 GLY HA3 1 63 TYR H . . 3.530 2.947 2.697 3.130 . 0 0 "[ . 1 . 2]" 1
1013 1 63 TYR H 1 63 TYR HB2 . . 3.660 2.089 2.023 2.189 . 0 0 "[ . 1 . 2]" 1
1014 1 63 TYR H 1 63 TYR HB3 . . 4.040 3.402 3.360 3.457 . 0 0 "[ . 1 . 2]" 1
1015 1 63 TYR H 1 63 TYR QD . . 3.880 3.272 2.720 3.351 . 0 0 "[ . 1 . 2]" 1
1016 1 63 TYR H 1 63 TYR QE . . 4.950 4.960 4.887 5.026 0.076 19 0 "[ . 1 . 2]" 1
1017 1 63 TYR HA 1 63 TYR QD . . 3.410 2.076 1.989 3.010 . 0 0 "[ . 1 . 2]" 1
1018 1 63 TYR HA 1 64 VAL H . . 2.950 2.205 2.187 2.267 . 0 0 "[ . 1 . 2]" 1
1019 1 63 TYR HA 1 64 VAL MG2 . . 4.260 3.112 2.955 3.248 . 0 0 "[ . 1 . 2]" 1
1020 1 63 TYR HB2 1 64 VAL H . . 4.620 4.440 4.267 4.570 . 0 0 "[ . 1 . 2]" 1
1021 1 63 TYR HB3 1 64 VAL H . . 4.220 3.538 3.167 3.867 . 0 0 "[ . 1 . 2]" 1
1022 1 63 TYR QD 1 64 VAL H . . 4.570 3.601 3.191 4.084 . 0 0 "[ . 1 . 2]" 1
1023 1 64 VAL H 1 64 VAL HB . . 4.050 3.173 3.059 3.315 . 0 0 "[ . 1 . 2]" 1
1024 1 64 VAL H 1 64 VAL MG1 . . 4.420 3.754 3.665 3.874 . 0 0 "[ . 1 . 2]" 1
1025 1 64 VAL H 1 64 VAL MG2 . . 3.680 1.993 1.840 2.278 . 0 0 "[ . 1 . 2]" 1
1026 1 64 VAL H 1 65 PRO HD3 . . 5.470 4.789 4.735 4.810 . 0 0 "[ . 1 . 2]" 1
1027 1 64 VAL H 1 69 ILE MD . . 5.500 4.773 4.484 4.989 . 0 0 "[ . 1 . 2]" 1
1028 1 64 VAL HA 1 64 VAL MG1 . . 3.320 1.946 1.922 1.974 . 0 0 "[ . 1 . 2]" 1
1029 1 64 VAL HA 1 64 VAL MG2 . . 3.690 2.897 2.846 2.943 . 0 0 "[ . 1 . 2]" 1
1030 1 64 VAL HA 1 65 PRO HD3 . . 2.860 2.082 2.010 2.158 . 0 0 "[ . 1 . 2]" 1
1031 1 64 VAL HB 1 65 PRO HD2 . . 3.550 2.569 2.291 2.899 . 0 0 "[ . 1 . 2]" 1
1032 1 64 VAL HB 1 69 ILE MD . . 3.330 2.621 2.427 2.743 . 0 0 "[ . 1 . 2]" 1
1033 1 64 VAL MG1 1 65 PRO HD2 . . 2.890 1.878 1.839 1.945 . 0 0 "[ . 1 . 2]" 1
1034 1 64 VAL MG1 1 68 TYR HB2 . . 3.960 3.844 3.449 3.982 0.022 14 0 "[ . 1 . 2]" 1
1035 1 64 VAL MG1 1 68 TYR HB3 . . 4.660 4.295 3.743 4.699 0.039 19 0 "[ . 1 . 2]" 1
1036 1 64 VAL MG1 1 69 ILE MD . . 3.360 3.363 3.104 3.436 0.076 16 0 "[ . 1 . 2]" 1
1037 1 64 VAL MG2 1 65 PRO HD2 . . 4.360 3.928 3.797 4.053 . 0 0 "[ . 1 . 2]" 1
1038 1 64 VAL MG2 1 69 ILE MD . . 3.550 3.457 3.216 3.600 0.050 4 0 "[ . 1 . 2]" 1
1039 1 65 PRO HA 1 66 SER H . . 2.840 2.219 2.155 2.242 . 0 0 "[ . 1 . 2]" 1
1040 1 65 PRO HA 1 66 SER HA . . 4.640 4.207 4.198 4.278 . 0 0 "[ . 1 . 2]" 1
1041 1 65 PRO HA 1 66 SER HB3 . . 4.600 4.426 4.376 4.553 . 0 0 "[ . 1 . 2]" 1
1042 1 65 PRO HA 1 67 ASN H . . 4.500 3.536 3.327 3.620 . 0 0 "[ . 1 . 2]" 1
1043 1 65 PRO HB2 1 66 SER H . . 4.410 3.365 3.257 3.946 . 0 0 "[ . 1 . 2]" 1
1044 1 65 PRO HB2 1 67 ASN H . . 4.560 2.304 2.158 2.750 . 0 0 "[ . 1 . 2]" 1
1045 1 65 PRO HB2 1 68 TYR H . . 4.350 2.679 2.494 2.808 . 0 0 "[ . 1 . 2]" 1
1046 1 65 PRO HB2 1 68 TYR HB2 . . 4.810 3.273 3.059 3.429 . 0 0 "[ . 1 . 2]" 1
1047 1 65 PRO HB2 1 68 TYR QD . . 4.260 2.558 2.004 3.736 . 0 0 "[ . 1 . 2]" 1
1048 1 65 PRO HB3 1 66 SER H . . 4.630 3.776 3.705 4.193 . 0 0 "[ . 1 . 2]" 1
1049 1 65 PRO HB3 1 67 ASN H . . 4.270 3.719 3.685 3.918 . 0 0 "[ . 1 . 2]" 1
1050 1 65 PRO HB3 1 68 TYR H . . 4.230 4.383 4.224 4.457 0.227 13 0 "[ . 1 . 2]" 1
1051 1 65 PRO HB3 1 68 TYR HB2 . . 4.810 4.551 4.395 4.655 . 0 0 "[ . 1 . 2]" 1
1052 1 65 PRO HB3 1 68 TYR QD . . 4.300 3.893 3.575 4.354 0.054 10 0 "[ . 1 . 2]" 1
1053 1 65 PRO HD2 1 68 TYR HB2 . . 3.860 2.919 2.669 3.115 . 0 0 "[ . 1 . 2]" 1
1054 1 65 PRO HD2 1 68 TYR HB3 . . 4.630 4.064 3.689 4.461 . 0 0 "[ . 1 . 2]" 1
1055 1 65 PRO HD2 1 68 TYR QD . . 4.510 4.247 3.501 4.528 0.018 13 0 "[ . 1 . 2]" 1
1056 1 65 PRO HG2 1 68 TYR H . . 5.420 3.163 2.992 3.491 . 0 0 "[ . 1 . 2]" 1
1057 1 65 PRO HG2 1 68 TYR HB2 . . 4.360 1.992 1.973 2.164 . 0 0 "[ . 1 . 2]" 1
1058 1 65 PRO HG2 1 68 TYR QD . . 4.680 2.571 1.968 2.863 . 0 0 "[ . 1 . 2]" 1
1059 1 65 PRO HG2 1 68 TYR QE . . 4.680 3.938 3.734 4.125 . 0 0 "[ . 1 . 2]" 1
1060 1 65 PRO HG3 1 66 SER H . . 5.500 5.586 5.534 5.822 0.322 13 0 "[ . 1 . 2]" 1
1061 1 66 SER H 1 66 SER HB2 . . 4.070 3.585 3.546 3.607 . 0 0 "[ . 1 . 2]" 1
1062 1 66 SER H 1 66 SER HB3 . . 3.710 2.592 2.435 2.630 . 0 0 "[ . 1 . 2]" 1
1063 1 66 SER H 1 67 ASN H . . 3.720 2.525 2.380 2.745 . 0 0 "[ . 1 . 2]" 1
1064 1 66 SER H 1 69 ILE HG12 . . 5.500 4.375 4.238 4.610 . 0 0 "[ . 1 . 2]" 1
1065 1 66 SER HA 1 66 SER HB2 . . 2.980 2.453 2.432 2.479 . 0 0 "[ . 1 . 2]" 1
1066 1 66 SER HA 1 66 SER HB3 . . 2.940 2.485 2.459 2.507 . 0 0 "[ . 1 . 2]" 1
1067 1 66 SER HA 1 68 TYR H . . 4.600 3.788 3.586 4.109 . 0 0 "[ . 1 . 2]" 1
1068 1 66 SER HA 1 69 ILE H . . 4.600 4.171 3.592 4.575 . 0 0 "[ . 1 . 2]" 1
1069 1 66 SER HA 1 69 ILE HB . . 4.160 3.719 3.445 3.968 . 0 0 "[ . 1 . 2]" 1
1070 1 66 SER HA 1 69 ILE MD . . 3.580 2.943 2.906 3.099 . 0 0 "[ . 1 . 2]" 1
1071 1 66 SER HA 1 69 ILE HG12 . . 4.190 2.112 1.954 2.462 . 0 0 "[ . 1 . 2]" 1
1072 1 66 SER HA 1 69 ILE HG13 . . 4.310 1.969 1.906 1.988 . 0 0 "[ . 1 . 2]" 1
1073 1 66 SER HB2 1 67 ASN H . . 5.320 4.395 4.191 4.510 . 0 0 "[ . 1 . 2]" 1
1074 1 66 SER HB2 1 69 ILE MD . . 4.880 4.919 4.883 4.987 0.107 9 0 "[ . 1 . 2]" 1
1075 1 66 SER HB3 1 67 ASN H . . 5.350 4.369 4.214 4.451 . 0 0 "[ . 1 . 2]" 1
1076 1 66 SER HB3 1 69 ILE MD . . 4.770 4.819 4.774 4.895 0.125 9 0 "[ . 1 . 2]" 1
1077 1 67 ASN H 1 67 ASN HB2 . . 3.660 2.269 2.091 2.635 . 0 0 "[ . 1 . 2]" 1
1078 1 67 ASN H 1 67 ASN HB3 . . 3.980 3.036 2.508 3.566 . 0 0 "[ . 1 . 2]" 1
1079 1 67 ASN H 1 68 TYR H . . 3.520 2.209 2.043 2.459 . 0 0 "[ . 1 . 2]" 1
1080 1 67 ASN H 1 68 TYR QD . . 5.490 3.276 2.919 4.531 . 0 0 "[ . 1 . 2]" 1
1081 1 67 ASN H 1 69 ILE H . . 4.920 4.264 3.844 4.607 . 0 0 "[ . 1 . 2]" 1
1082 1 67 ASN HA 1 69 ILE H . . 4.010 3.663 3.555 3.863 . 0 0 "[ . 1 . 2]" 1
1083 1 67 ASN HB3 1 67 ASN HD22 . . 4.150 3.799 3.449 4.145 . 0 0 "[ . 1 . 2]" 1
1084 1 67 ASN HB3 1 68 TYR H . . 5.500 3.333 2.922 3.918 . 0 0 "[ . 1 . 2]" 1
1085 1 68 TYR H 1 68 TYR HB2 . . 3.490 2.191 2.097 2.326 . 0 0 "[ . 1 . 2]" 1
1086 1 68 TYR H 1 68 TYR HB3 . . 3.980 3.472 3.413 3.540 . 0 0 "[ . 1 . 2]" 1
1087 1 68 TYR H 1 68 TYR QD . . 4.140 2.407 2.216 3.097 . 0 0 "[ . 1 . 2]" 1
1088 1 68 TYR H 1 68 TYR QE . . 4.740 4.717 4.647 4.778 0.038 19 0 "[ . 1 . 2]" 1
1089 1 68 TYR H 1 69 ILE H . . 3.150 2.895 2.519 3.170 0.020 10 0 "[ . 1 . 2]" 1
1090 1 68 TYR H 1 69 ILE HB . . 5.210 4.942 4.613 5.126 . 0 0 "[ . 1 . 2]" 1
1091 1 68 TYR H 1 69 ILE MD . . 4.890 3.117 2.879 3.754 . 0 0 "[ . 1 . 2]" 1
1092 1 68 TYR H 1 69 ILE HG12 . . 4.560 2.829 2.731 3.005 . 0 0 "[ . 1 . 2]" 1
1093 1 68 TYR H 1 69 ILE HG13 . . 4.960 4.439 4.297 4.615 . 0 0 "[ . 1 . 2]" 1
1094 1 68 TYR HA 1 68 TYR QD . . 3.760 2.914 1.964 3.161 . 0 0 "[ . 1 . 2]" 1
1095 1 68 TYR HA 1 68 TYR QE . . 4.700 4.674 4.398 4.765 0.065 13 0 "[ . 1 . 2]" 1
1096 1 68 TYR HB2 1 69 ILE H . . 4.650 4.103 3.678 4.281 . 0 0 "[ . 1 . 2]" 1
1097 1 68 TYR HB2 1 69 ILE MD . . 4.370 2.840 2.342 3.590 . 0 0 "[ . 1 . 2]" 1
1098 1 68 TYR HB3 1 69 ILE H . . 5.070 4.437 4.234 4.516 . 0 0 "[ . 1 . 2]" 1
1099 1 68 TYR HB3 1 69 ILE MD . . 4.700 3.462 2.917 4.146 . 0 0 "[ . 1 . 2]" 1
1100 1 69 ILE H 1 69 ILE HB . . 3.430 2.779 2.567 2.970 . 0 0 "[ . 1 . 2]" 1
1101 1 69 ILE H 1 69 ILE MD . . 4.430 3.157 2.731 3.674 . 0 0 "[ . 1 . 2]" 1
1102 1 69 ILE H 1 69 ILE HG12 . . 3.840 2.278 1.866 2.642 . 0 0 "[ . 1 . 2]" 1
1103 1 69 ILE H 1 69 ILE HG13 . . 3.970 3.787 3.487 3.964 . 0 0 "[ . 1 . 2]" 1
1104 1 69 ILE H 1 69 ILE MG . . 4.140 3.861 3.798 3.915 . 0 0 "[ . 1 . 2]" 1
1105 1 69 ILE H 1 70 ARG H . . 4.970 4.483 4.177 4.555 . 0 0 "[ . 1 . 2]" 1
1106 1 69 ILE HA 1 69 ILE MD . . 3.550 2.309 2.081 2.599 . 0 0 "[ . 1 . 2]" 1
1107 1 69 ILE HA 1 69 ILE MG . . 3.180 2.117 1.990 2.310 . 0 0 "[ . 1 . 2]" 1
1108 1 69 ILE HA 1 70 ARG H . . 3.100 2.363 2.178 2.470 . 0 0 "[ . 1 . 2]" 1
1109 1 69 ILE HB 1 69 ILE MD . . 3.450 3.206 3.199 3.213 . 0 0 "[ . 1 . 2]" 1
1110 1 69 ILE HB 1 70 ARG H . . 4.710 3.642 3.372 4.225 . 0 0 "[ . 1 . 2]" 1
1111 1 69 ILE MD 1 69 ILE MG . . 2.900 2.007 1.890 2.141 . 0 0 "[ . 1 . 2]" 1
1112 1 69 ILE MD 1 70 ARG H . . 4.650 3.959 3.411 4.434 . 0 0 "[ . 1 . 2]" 1
1113 1 69 ILE HG13 1 69 ILE MG . . 3.360 2.353 2.268 2.428 . 0 0 "[ . 1 . 2]" 1
1114 1 69 ILE MG 1 70 ARG H . . 3.350 2.130 1.867 3.380 0.030 9 0 "[ . 1 . 2]" 1
1115 1 70 ARG H 1 70 ARG HB2 . . 4.150 2.740 2.486 2.969 . 0 0 "[ . 1 . 2]" 1
1116 1 70 ARG H 1 70 ARG HB3 . . 3.910 3.532 2.880 3.745 . 0 0 "[ . 1 . 2]" 1
1117 1 70 ARG H 1 70 ARG QG . . 4.450 3.825 3.082 4.175 . 0 0 "[ . 1 . 2]" 1
1118 1 70 ARG HA 1 70 ARG QD . . 3.460 2.755 2.300 3.104 . 0 0 "[ . 1 . 2]" 1
1119 1 70 ARG HA 1 70 ARG QG . . 3.810 2.212 2.044 2.447 . 0 0 "[ . 1 . 2]" 1
1120 1 70 ARG HA 1 71 LYS H . . 3.060 2.432 2.299 2.487 . 0 0 "[ . 1 . 2]" 1
1121 1 70 ARG HB2 1 71 LYS H . . 4.100 4.133 4.092 4.189 0.089 16 0 "[ . 1 . 2]" 1
1122 1 70 ARG HB3 1 71 LYS H . . 3.560 2.909 2.783 3.509 . 0 0 "[ . 1 . 2]" 1
1123 1 70 ARG QG 1 71 LYS H . . 4.260 3.605 1.926 4.194 . 0 0 "[ . 1 . 2]" 1
1124 1 71 LYS H 1 71 LYS HB2 . . 3.660 3.104 2.877 3.643 . 0 0 "[ . 1 . 2]" 1
1125 1 71 LYS H 1 71 LYS HB3 . . 3.650 2.483 2.268 2.738 . 0 0 "[ . 1 . 2]" 1
1126 1 71 LYS H 1 71 LYS QG . . 4.500 3.855 2.761 4.107 . 0 0 "[ . 1 . 2]" 1
1127 1 71 LYS HA 1 71 LYS HD2 . . 4.540 4.217 3.537 5.151 0.611 4 1 "[ +. 1 . 2]" 1
1128 1 71 LYS HA 1 72 THR H . . 2.980 2.212 2.179 2.280 . 0 0 "[ . 1 . 2]" 1
1129 1 71 LYS HB2 1 71 LYS HE2 . . 4.670 4.198 2.895 5.133 0.463 20 0 "[ . 1 . 2]" 1
1130 1 71 LYS HB2 1 72 THR H . . 4.500 4.159 3.350 4.458 . 0 0 "[ . 1 . 2]" 1
1131 1 71 LYS HB3 1 71 LYS HD3 . . 3.380 2.730 1.988 3.317 . 0 0 "[ . 1 . 2]" 1
1132 1 71 LYS HB3 1 71 LYS HE2 . . 4.530 3.861 2.967 4.570 0.040 11 0 "[ . 1 . 2]" 1
1133 1 71 LYS HB3 1 72 THR H . . 4.410 4.327 4.172 4.681 0.271 13 0 "[ . 1 . 2]" 1
1134 1 71 LYS HE2 1 71 LYS QG . . 3.580 2.572 1.967 3.335 . 0 0 "[ . 1 . 2]" 1
1135 1 71 LYS QG 1 72 THR H . . 4.280 2.538 2.242 3.367 . 0 0 "[ . 1 . 2]" 1
1136 1 71 LYS QG 1 73 GLU H . . 5.300 4.624 1.899 5.223 . 0 0 "[ . 1 . 2]" 1
1137 1 72 THR H 1 72 THR HB . . 4.090 2.977 2.220 3.715 . 0 0 "[ . 1 . 2]" 1
1138 1 72 THR H 1 72 THR MG . . 3.350 2.487 1.873 3.710 0.360 11 0 "[ . 1 . 2]" 1
1139 1 72 THR HA 1 72 THR MG . . 3.350 2.701 2.321 3.232 . 0 0 "[ . 1 . 2]" 1
1140 1 72 THR HA 1 73 GLU H . . 2.660 2.369 2.165 3.014 0.354 13 0 "[ . 1 . 2]" 1
1141 1 72 THR HB 1 73 GLU H . . 3.950 3.896 2.195 4.273 0.323 11 0 "[ . 1 . 2]" 1
1142 1 72 THR MG 1 73 GLU H . . 4.500 3.532 1.879 4.360 . 0 0 "[ . 1 . 2]" 1
1143 1 73 GLU H 1 73 GLU HB2 . . 3.780 2.742 2.035 4.004 0.224 18 0 "[ . 1 . 2]" 1
1144 1 73 GLU H 1 73 GLU HB3 . . 4.160 3.319 2.548 3.912 . 0 0 "[ . 1 . 2]" 1
1145 1 73 GLU H 1 73 GLU HG3 . . 4.270 3.780 2.272 4.863 0.593 7 1 "[ . + 1 . 2]" 1
1146 1 73 GLU HA 1 73 GLU HG2 . . 3.660 2.912 2.134 3.719 0.059 12 0 "[ . 1 . 2]" 1
1147 1 73 GLU HA 1 74 SER H . . 3.580 2.733 2.202 3.646 0.066 14 0 "[ . 1 . 2]" 1
1148 1 73 GLU HB2 1 73 GLU HG3 . . 3.040 2.530 2.267 3.054 0.014 17 0 "[ . 1 . 2]" 1
1149 1 73 GLU HB2 1 74 SER H . . 5.140 3.609 2.079 4.658 . 0 0 "[ . 1 . 2]" 1
1150 1 73 GLU HB3 1 73 GLU HG2 . . 2.630 2.617 2.264 3.042 0.412 18 0 "[ . 1 . 2]" 1
1151 1 73 GLU HB3 1 74 SER H . . 4.790 3.551 2.493 4.707 . 0 0 "[ . 1 . 2]" 1
1152 1 73 GLU HG2 1 74 SER H . . 5.370 4.249 2.412 5.060 . 0 0 "[ . 1 . 2]" 1
1153 1 74 SER H 1 74 SER HB2 . . 4.090 3.196 2.419 4.063 . 0 0 "[ . 1 . 2]" 1
1154 1 74 SER HA 1 75 GLY H . . 3.570 2.582 2.221 3.647 0.077 12 0 "[ . 1 . 2]" 1
1155 1 74 SER HB3 1 75 GLY H . . 4.650 3.710 2.142 4.609 . 0 0 "[ . 1 . 2]" 1
1156 1 75 GLY HA2 1 76 PRO HD2 . . 3.640 2.818 2.259 3.515 . 0 0 "[ . 1 . 2]" 1
1157 1 75 GLY HA2 1 76 PRO HD3 . . 3.550 2.123 1.934 2.713 . 0 0 "[ . 1 . 2]" 1
1158 1 75 GLY HA3 1 76 PRO HD2 . . 3.540 2.740 2.215 3.399 . 0 0 "[ . 1 . 2]" 1
1159 1 75 GLY HA3 1 76 PRO HD3 . . 3.450 3.048 2.330 3.620 0.170 18 0 "[ . 1 . 2]" 1
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