NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
635141 |
6ffq   |
34227 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ffq
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 1569
_Distance_constraint_stats_list.Viol_count 3494
_Distance_constraint_stats_list.Viol_total 2511.561
_Distance_constraint_stats_list.Viol_max 0.746
_Distance_constraint_stats_list.Viol_rms 0.0176
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0359
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 1.717 0.257 11 0 "[ . 1 . 2]"
1 4 TYR 3.804 0.257 11 0 "[ . 1 . 2]"
1 5 THR 5.220 0.130 7 0 "[ . 1 . 2]"
1 6 GLU 1.150 0.056 3 0 "[ . 1 . 2]"
1 7 ILE 2.682 0.098 20 0 "[ . 1 . 2]"
1 8 ALA 0.355 0.049 14 0 "[ . 1 . 2]"
1 9 LEU 14.403 0.746 7 2 "[ . + 1 - . 2]"
1 10 PRO 1.513 0.101 14 0 "[ . 1 . 2]"
1 11 PHE 5.883 0.454 10 0 "[ . 1 . 2]"
1 12 SER 2.392 0.102 5 0 "[ . 1 . 2]"
1 13 TYR 3.901 0.098 15 0 "[ . 1 . 2]"
1 14 ASP 0.640 0.098 15 0 "[ . 1 . 2]"
1 15 GLY 0.694 0.062 9 0 "[ . 1 . 2]"
1 16 ALA 3.785 0.097 5 0 "[ . 1 . 2]"
1 17 GLY 1.149 0.076 19 0 "[ . 1 . 2]"
1 18 GLU 0.611 0.066 12 0 "[ . 1 . 2]"
1 19 TYR 1.262 0.083 10 0 "[ . 1 . 2]"
1 20 TYR 3.878 0.143 15 0 "[ . 1 . 2]"
1 21 TRP 8.552 0.143 15 0 "[ . 1 . 2]"
1 22 LYS 1.743 0.099 3 0 "[ . 1 . 2]"
1 23 THR 4.811 0.347 5 0 "[ . 1 . 2]"
1 24 ASP 2.696 0.204 7 0 "[ . 1 . 2]"
1 25 GLN 6.318 0.746 7 2 "[ . + 1 - . 2]"
1 26 PHE 2.781 0.087 18 0 "[ . 1 . 2]"
1 27 SER 0.536 0.075 5 0 "[ . 1 . 2]"
1 28 THR 0.770 0.075 5 0 "[ . 1 . 2]"
1 29 ASP 0.396 0.063 14 0 "[ . 1 . 2]"
1 30 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASN 1.867 0.115 2 0 "[ . 1 . 2]"
1 32 ASP 1.042 0.115 2 0 "[ . 1 . 2]"
1 33 TRP 0.119 0.020 8 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 1.277 0.133 19 0 "[ . 1 . 2]"
1 36 TYR 1.212 0.104 7 0 "[ . 1 . 2]"
1 37 VAL 5.154 0.263 4 0 "[ . 1 . 2]"
1 38 ASN 1.073 0.123 8 0 "[ . 1 . 2]"
1 39 SER 1.966 0.145 6 0 "[ . 1 . 2]"
1 40 TRP 4.205 0.124 2 0 "[ . 1 . 2]"
1 41 ASN 4.494 0.099 18 0 "[ . 1 . 2]"
1 42 LEU 9.396 0.145 6 0 "[ . 1 . 2]"
1 43 ASP 2.793 0.094 3 0 "[ . 1 . 2]"
1 44 LEU 3.035 0.089 20 0 "[ . 1 . 2]"
1 45 LEU 4.468 0.150 11 0 "[ . 1 . 2]"
1 46 GLU 3.207 0.137 15 0 "[ . 1 . 2]"
1 47 ILE 3.311 0.120 18 0 "[ . 1 . 2]"
1 48 ASN 4.145 0.120 18 0 "[ . 1 . 2]"
1 49 GLY 3.071 0.098 4 0 "[ . 1 . 2]"
1 50 THR 3.213 0.099 2 0 "[ . 1 . 2]"
1 51 ASP 4.338 0.137 15 0 "[ . 1 . 2]"
1 52 TYR 3.309 0.094 17 0 "[ . 1 . 2]"
1 53 THR 3.230 0.066 7 0 "[ . 1 . 2]"
1 54 ASN 2.602 0.150 11 0 "[ . 1 . 2]"
1 55 VAL 2.004 0.434 17 0 "[ . 1 . 2]"
1 56 TRP 4.336 0.434 17 0 "[ . 1 . 2]"
1 57 VAL 2.423 0.241 12 0 "[ . 1 . 2]"
1 58 ALA 2.705 0.127 9 0 "[ . 1 . 2]"
1 59 GLN 3.837 0.124 11 0 "[ . 1 . 2]"
1 60 HIS 0.825 0.075 15 0 "[ . 1 . 2]"
1 61 GLN 1.948 0.075 15 0 "[ . 1 . 2]"
1 62 ILE 1.867 0.078 17 0 "[ . 1 . 2]"
1 63 PRO 0.182 0.034 6 0 "[ . 1 . 2]"
1 64 ALA 0.566 0.047 5 0 "[ . 1 . 2]"
1 65 ALA 2.667 0.121 17 0 "[ . 1 . 2]"
1 66 SER 0.039 0.026 15 0 "[ . 1 . 2]"
1 67 ASP 0.069 0.035 19 0 "[ . 1 . 2]"
1 68 GLY 1.230 0.101 10 0 "[ . 1 . 2]"
1 69 TYR 2.630 0.108 12 0 "[ . 1 . 2]"
1 70 TRP 6.721 0.121 17 0 "[ . 1 . 2]"
1 71 TYR 3.476 0.101 10 0 "[ . 1 . 2]"
1 72 ILE 2.727 0.098 20 0 "[ . 1 . 2]"
1 73 HIS 3.973 0.116 9 0 "[ . 1 . 2]"
1 74 TYR 3.094 0.116 9 0 "[ . 1 . 2]"
1 75 LYS 4.339 0.094 3 0 "[ . 1 . 2]"
1 76 SER 0.201 0.067 3 0 "[ . 1 . 2]"
1 77 GLY 1.077 0.053 10 0 "[ . 1 . 2]"
1 78 VAL 3.758 0.084 19 0 "[ . 1 . 2]"
1 79 SER 0.513 0.072 1 0 "[ . 1 . 2]"
1 80 TRP 1.855 0.072 1 0 "[ . 1 . 2]"
1 81 GLY 4.330 0.099 18 0 "[ . 1 . 2]"
1 82 HIS 0.596 0.103 3 0 "[ . 1 . 2]"
1 83 VAL 7.309 0.106 17 0 "[ . 1 . 2]"
1 84 GLU 3.038 0.082 18 0 "[ . 1 . 2]"
1 85 ILE 4.763 0.095 2 0 "[ . 1 . 2]"
1 86 LYS 3.524 0.263 4 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 2 GLY QA 1 3 GLU H . . 3.150 2.354 2.099 2.948 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 3 GLU QB . . 3.550 2.922 2.427 3.517 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU H 1 4 TYR H . . 4.140 2.795 2.466 3.271 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLU H 1 4 TYR HB2 . . 5.070 4.963 4.382 5.173 0.103 3 0 "[ . 1 . 2]" 1
5 1 3 GLU HA 1 3 GLU HG2 . . 4.170 2.729 2.355 3.731 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLU HA 1 3 GLU QG . . 3.500 2.511 2.194 3.427 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLU HA 1 3 GLU HG3 . . 4.170 3.149 2.353 4.083 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLU HA 1 4 TYR H . . 2.760 2.655 2.268 2.830 0.070 12 0 "[ . 1 . 2]" 1
9 1 3 GLU HA 1 4 TYR HB2 . . 5.090 4.953 4.627 5.130 0.040 14 0 "[ . 1 . 2]" 1
10 1 3 GLU HA 1 4 TYR QD . . 4.860 4.675 4.231 4.892 0.032 20 0 "[ . 1 . 2]" 1
11 1 3 GLU HA 1 5 THR H . . 5.500 5.500 5.316 5.577 0.077 15 0 "[ . 1 . 2]" 1
12 1 3 GLU QB 1 4 TYR H . . 4.360 3.931 3.797 4.081 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLU QB 1 5 THR H . . 5.340 5.083 4.835 5.373 0.033 4 0 "[ . 1 . 2]" 1
14 1 3 GLU HB2 1 4 TYR H . . 5.060 4.381 4.194 4.565 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLU HB3 1 4 TYR H . . 5.060 4.452 4.172 4.639 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLU HG2 1 4 TYR H . . 5.500 4.988 4.283 5.659 0.159 5 0 "[ . 1 . 2]" 1
17 1 3 GLU HG3 1 4 TYR H . . 5.500 5.004 4.462 5.757 0.257 11 0 "[ . 1 . 2]" 1
18 1 4 TYR H 1 4 TYR HB2 . . 3.110 2.457 2.297 2.578 . 0 0 "[ . 1 . 2]" 1
19 1 4 TYR H 1 4 TYR HB3 . . 3.660 3.589 3.552 3.675 0.015 11 0 "[ . 1 . 2]" 1
20 1 4 TYR H 1 4 TYR QD . . 3.260 2.448 2.014 2.676 . 0 0 "[ . 1 . 2]" 1
21 1 4 TYR H 1 4 TYR QE . . 4.840 4.484 4.201 4.851 0.011 17 0 "[ . 1 . 2]" 1
22 1 4 TYR H 1 5 THR H . . 4.550 4.431 4.369 4.496 . 0 0 "[ . 1 . 2]" 1
23 1 4 TYR H 1 20 TYR HB3 . . 5.500 4.771 3.860 5.448 . 0 0 "[ . 1 . 2]" 1
24 1 4 TYR H 1 22 LYS HD2 . . 5.500 4.942 4.511 5.503 0.003 15 0 "[ . 1 . 2]" 1
25 1 4 TYR HA 1 4 TYR QD . . 3.940 2.902 2.651 3.186 . 0 0 "[ . 1 . 2]" 1
26 1 4 TYR HA 1 5 THR H . . 2.830 2.151 2.076 2.203 . 0 0 "[ . 1 . 2]" 1
27 1 4 TYR HA 1 20 TYR HB3 . . 3.600 3.006 2.353 3.611 0.011 18 0 "[ . 1 . 2]" 1
28 1 4 TYR HA 1 21 TRP H . . 5.500 4.665 4.027 5.086 . 0 0 "[ . 1 . 2]" 1
29 1 4 TYR HA 1 21 TRP HA . . 4.290 3.388 3.076 3.764 . 0 0 "[ . 1 . 2]" 1
30 1 4 TYR HB2 1 5 THR H . . 4.480 4.445 4.373 4.497 0.017 6 0 "[ . 1 . 2]" 1
31 1 4 TYR HB2 1 22 LYS HB3 . . 4.430 3.789 3.198 4.117 . 0 0 "[ . 1 . 2]" 1
32 1 4 TYR HB2 1 22 LYS HD2 . . 3.740 2.523 2.249 3.096 . 0 0 "[ . 1 . 2]" 1
33 1 4 TYR HB2 1 22 LYS HG2 . . 4.670 3.513 2.991 3.676 . 0 0 "[ . 1 . 2]" 1
34 1 4 TYR HB2 1 22 LYS HG3 . . 4.840 4.839 4.427 4.939 0.099 3 0 "[ . 1 . 2]" 1
35 1 4 TYR HB3 1 5 THR H . . 3.730 3.651 3.554 3.750 0.020 20 0 "[ . 1 . 2]" 1
36 1 4 TYR HB3 1 22 LYS H . . 4.130 3.832 3.499 4.131 0.001 17 0 "[ . 1 . 2]" 1
37 1 4 TYR HB3 1 22 LYS HB3 . . 3.860 2.520 2.325 2.842 . 0 0 "[ . 1 . 2]" 1
38 1 4 TYR HB3 1 22 LYS HD2 . . 3.800 2.483 2.177 3.034 . 0 0 "[ . 1 . 2]" 1
39 1 4 TYR HB3 1 22 LYS HD3 . . 3.990 3.171 2.517 3.740 . 0 0 "[ . 1 . 2]" 1
40 1 4 TYR HB3 1 22 LYS HG2 . . 3.710 2.345 2.177 2.487 . 0 0 "[ . 1 . 2]" 1
41 1 4 TYR HB3 1 22 LYS HG3 . . 3.960 3.908 3.748 3.999 0.039 10 0 "[ . 1 . 2]" 1
42 1 4 TYR QD 1 5 THR H . . 4.680 4.371 4.029 4.656 . 0 0 "[ . 1 . 2]" 1
43 1 4 TYR QD 1 20 TYR HB3 . . 4.340 3.455 2.974 4.011 . 0 0 "[ . 1 . 2]" 1
44 1 4 TYR QD 1 22 LYS H . . 4.680 4.269 3.802 4.621 . 0 0 "[ . 1 . 2]" 1
45 1 4 TYR QD 1 71 TYR HA . . 4.630 3.776 3.465 4.019 . 0 0 "[ . 1 . 2]" 1
46 1 4 TYR QD 1 72 ILE H . . 4.500 3.673 3.272 3.997 . 0 0 "[ . 1 . 2]" 1
47 1 4 TYR QE 1 20 TYR HB2 . . 5.500 5.294 4.956 5.516 0.016 7 0 "[ . 1 . 2]" 1
48 1 4 TYR QE 1 20 TYR HB3 . . 4.750 4.121 3.709 4.430 . 0 0 "[ . 1 . 2]" 1
49 1 4 TYR QE 1 20 TYR QE . . 4.480 2.295 2.097 2.468 . 0 0 "[ . 1 . 2]" 1
50 1 4 TYR QE 1 21 TRP H . . 5.320 4.636 4.142 5.074 . 0 0 "[ . 1 . 2]" 1
51 1 4 TYR QE 1 48 ASN H . . 5.500 5.435 5.048 5.560 0.060 10 0 "[ . 1 . 2]" 1
52 1 4 TYR QE 1 71 TYR HA . . 4.400 3.794 3.202 4.209 . 0 0 "[ . 1 . 2]" 1
53 1 4 TYR QE 1 71 TYR HB2 . . 4.680 3.392 2.919 3.862 . 0 0 "[ . 1 . 2]" 1
54 1 4 TYR QE 1 71 TYR HB3 . . 4.260 2.144 2.081 2.292 . 0 0 "[ . 1 . 2]" 1
55 1 4 TYR QE 1 72 ILE H . . 4.730 3.700 3.081 4.103 . 0 0 "[ . 1 . 2]" 1
56 1 4 TYR QE 1 73 HIS H . . 5.500 5.558 5.525 5.607 0.107 14 0 "[ . 1 . 2]" 1
57 1 4 TYR QE 1 73 HIS HA . . 5.500 5.439 5.224 5.552 0.052 5 0 "[ . 1 . 2]" 1
58 1 4 TYR QE 1 73 HIS QB . . 5.030 4.757 4.331 5.037 0.007 18 0 "[ . 1 . 2]" 1
59 1 5 THR H 1 5 THR HB . . 3.070 2.063 1.985 2.122 . 0 0 "[ . 1 . 2]" 1
60 1 5 THR H 1 5 THR MG . . 3.760 3.469 3.382 3.514 . 0 0 "[ . 1 . 2]" 1
61 1 5 THR H 1 7 ILE MG . . 4.890 4.890 4.718 4.926 0.036 18 0 "[ . 1 . 2]" 1
62 1 5 THR H 1 20 TYR H . . 5.470 4.776 4.470 5.161 . 0 0 "[ . 1 . 2]" 1
63 1 5 THR H 1 21 TRP HA . . 3.210 2.622 2.249 2.732 . 0 0 "[ . 1 . 2]" 1
64 1 5 THR H 1 21 TRP HB3 . . 4.900 4.820 4.455 4.932 0.032 8 0 "[ . 1 . 2]" 1
65 1 5 THR H 1 21 TRP HD1 . . 4.110 2.815 2.563 3.086 . 0 0 "[ . 1 . 2]" 1
66 1 5 THR H 1 21 TRP HE1 . . 5.500 4.901 4.656 5.248 . 0 0 "[ . 1 . 2]" 1
67 1 5 THR H 1 22 LYS HG2 . . 4.420 4.144 3.980 4.295 . 0 0 "[ . 1 . 2]" 1
68 1 5 THR HA 1 5 THR MG . . 3.140 2.862 2.799 2.950 . 0 0 "[ . 1 . 2]" 1
69 1 5 THR HA 1 6 GLU H . . 2.660 2.254 2.214 2.290 . 0 0 "[ . 1 . 2]" 1
70 1 5 THR HA 1 21 TRP HD1 . . 4.640 4.544 4.431 4.645 0.005 2 0 "[ . 1 . 2]" 1
71 1 5 THR HA 1 22 LYS H . . 5.300 5.029 4.884 5.145 . 0 0 "[ . 1 . 2]" 1
72 1 5 THR HA 1 22 LYS HD3 . . 5.110 4.862 4.520 5.126 0.016 11 0 "[ . 1 . 2]" 1
73 1 5 THR HB 1 6 GLU H . . 4.540 4.463 4.402 4.539 . 0 0 "[ . 1 . 2]" 1
74 1 5 THR HB 1 7 ILE MG . . 4.170 4.089 3.994 4.164 . 0 0 "[ . 1 . 2]" 1
75 1 5 THR HB 1 21 TRP H . . 5.500 5.587 5.522 5.630 0.130 7 0 "[ . 1 . 2]" 1
76 1 5 THR HB 1 21 TRP HA . . 4.370 3.293 3.172 3.384 . 0 0 "[ . 1 . 2]" 1
77 1 5 THR HB 1 21 TRP HD1 . . 3.400 1.948 1.889 2.027 . 0 0 "[ . 1 . 2]" 1
78 1 5 THR HB 1 21 TRP HE1 . . 4.140 3.390 3.159 3.605 . 0 0 "[ . 1 . 2]" 1
79 1 5 THR MG 1 6 GLU H . . 3.300 2.830 2.707 2.922 . 0 0 "[ . 1 . 2]" 1
80 1 5 THR MG 1 6 GLU HA . . 4.680 3.871 3.801 3.975 . 0 0 "[ . 1 . 2]" 1
81 1 5 THR MG 1 6 GLU HB2 . . 4.790 4.808 4.753 4.846 0.056 3 0 "[ . 1 . 2]" 1
82 1 5 THR MG 1 6 GLU HB3 . . 4.350 4.312 4.032 4.391 0.041 20 0 "[ . 1 . 2]" 1
83 1 5 THR MG 1 6 GLU QG . . 5.100 4.919 4.741 5.017 . 0 0 "[ . 1 . 2]" 1
84 1 5 THR MG 1 7 ILE HA . . 4.360 3.991 3.794 4.196 . 0 0 "[ . 1 . 2]" 1
85 1 5 THR MG 1 7 ILE HG12 . . 4.480 4.418 4.389 4.469 . 0 0 "[ . 1 . 2]" 1
86 1 5 THR MG 1 7 ILE HG13 . . 5.500 5.526 5.502 5.558 0.058 1 0 "[ . 1 . 2]" 1
87 1 5 THR MG 1 7 ILE MG . . 3.510 2.140 2.085 2.186 . 0 0 "[ . 1 . 2]" 1
88 1 5 THR MG 1 21 TRP H . . 5.500 5.560 5.521 5.601 0.101 3 0 "[ . 1 . 2]" 1
89 1 5 THR MG 1 21 TRP HA . . 4.670 3.376 3.291 3.510 . 0 0 "[ . 1 . 2]" 1
90 1 5 THR MG 1 21 TRP HD1 . . 3.800 2.354 2.193 2.546 . 0 0 "[ . 1 . 2]" 1
91 1 5 THR MG 1 21 TRP HE1 . . 4.330 3.146 2.830 3.343 . 0 0 "[ . 1 . 2]" 1
92 1 5 THR MG 1 22 LYS HG3 . . 5.500 5.452 5.270 5.531 0.031 8 0 "[ . 1 . 2]" 1
93 1 6 GLU H 1 6 GLU HB2 . . 2.970 2.566 2.478 2.710 . 0 0 "[ . 1 . 2]" 1
94 1 6 GLU H 1 6 GLU HB3 . . 3.050 2.535 2.379 2.677 . 0 0 "[ . 1 . 2]" 1
95 1 6 GLU H 1 6 GLU QG . . 4.000 4.003 3.974 4.024 0.024 18 0 "[ . 1 . 2]" 1
96 1 6 GLU H 1 7 ILE H . . 4.860 4.597 4.496 4.682 . 0 0 "[ . 1 . 2]" 1
97 1 6 GLU H 1 7 ILE MG . . 4.810 4.471 4.282 4.712 . 0 0 "[ . 1 . 2]" 1
98 1 6 GLU H 1 22 LYS HG2 . . 4.650 4.047 3.882 4.275 . 0 0 "[ . 1 . 2]" 1
99 1 6 GLU H 1 22 LYS HG3 . . 4.990 4.336 4.161 4.594 . 0 0 "[ . 1 . 2]" 1
100 1 6 GLU HA 1 6 GLU QG . . 3.320 2.337 2.213 2.490 . 0 0 "[ . 1 . 2]" 1
101 1 6 GLU HA 1 7 ILE H . . 2.680 2.163 2.105 2.234 . 0 0 "[ . 1 . 2]" 1
102 1 6 GLU HA 1 7 ILE HG12 . . 4.150 3.989 3.869 4.155 0.005 7 0 "[ . 1 . 2]" 1
103 1 6 GLU HA 1 7 ILE MG . . 4.210 3.646 3.485 3.819 . 0 0 "[ . 1 . 2]" 1
104 1 6 GLU HA 1 22 LYS H . . 3.440 2.787 2.697 2.948 . 0 0 "[ . 1 . 2]" 1
105 1 6 GLU HA 1 22 LYS HB3 . . 5.210 4.765 4.645 4.903 . 0 0 "[ . 1 . 2]" 1
106 1 6 GLU HA 1 22 LYS HG3 . . 3.280 2.330 2.122 2.469 . 0 0 "[ . 1 . 2]" 1
107 1 6 GLU HB2 1 7 ILE H . . 4.270 4.236 4.136 4.316 0.046 11 0 "[ . 1 . 2]" 1
108 1 6 GLU HB2 1 22 LYS H . . 5.490 5.001 4.824 5.203 . 0 0 "[ . 1 . 2]" 1
109 1 6 GLU HB2 1 22 LYS QE . . 4.360 3.619 2.732 4.135 . 0 0 "[ . 1 . 2]" 1
110 1 6 GLU HB2 1 22 LYS HG3 . . 4.360 3.079 2.788 3.378 . 0 0 "[ . 1 . 2]" 1
111 1 6 GLU HB3 1 7 ILE H . . 4.160 4.128 3.933 4.202 0.042 11 0 "[ . 1 . 2]" 1
112 1 6 GLU HB3 1 7 ILE HA . . 5.050 4.916 4.728 5.031 . 0 0 "[ . 1 . 2]" 1
113 1 6 GLU QG 1 7 ILE H . . 3.270 2.625 2.355 2.939 . 0 0 "[ . 1 . 2]" 1
114 1 6 GLU QG 1 22 LYS HG3 . . 3.720 2.875 2.477 3.680 . 0 0 "[ . 1 . 2]" 1
115 1 6 GLU QG 1 23 THR HA . . 3.950 3.184 2.648 3.586 . 0 0 "[ . 1 . 2]" 1
116 1 7 ILE H 1 7 ILE HB . . 4.070 3.829 3.760 3.914 . 0 0 "[ . 1 . 2]" 1
117 1 7 ILE H 1 7 ILE MD . . 4.200 4.074 3.928 4.204 0.004 7 0 "[ . 1 . 2]" 1
118 1 7 ILE H 1 7 ILE HG12 . . 3.000 2.508 2.300 2.690 . 0 0 "[ . 1 . 2]" 1
119 1 7 ILE H 1 7 ILE HG13 . . 3.150 2.950 2.844 3.105 . 0 0 "[ . 1 . 2]" 1
120 1 7 ILE H 1 7 ILE MG . . 3.440 2.919 2.782 3.061 . 0 0 "[ . 1 . 2]" 1
121 1 7 ILE H 1 8 ALA MB . . 5.410 5.144 4.858 5.414 0.004 11 0 "[ . 1 . 2]" 1
122 1 7 ILE H 1 21 TRP HB3 . . 4.610 4.068 3.760 4.407 . 0 0 "[ . 1 . 2]" 1
123 1 7 ILE H 1 22 LYS H . . 3.920 3.303 3.100 3.476 . 0 0 "[ . 1 . 2]" 1
124 1 7 ILE H 1 23 THR HA . . 3.910 3.445 3.317 3.631 . 0 0 "[ . 1 . 2]" 1
125 1 7 ILE H 1 23 THR HB . . 4.010 3.597 3.402 3.791 . 0 0 "[ . 1 . 2]" 1
126 1 7 ILE HA 1 7 ILE MD . . 4.230 4.187 4.172 4.208 . 0 0 "[ . 1 . 2]" 1
127 1 7 ILE HA 1 7 ILE HG13 . . 3.750 3.712 3.686 3.740 . 0 0 "[ . 1 . 2]" 1
128 1 7 ILE HA 1 7 ILE MG . . 3.020 2.337 2.259 2.419 . 0 0 "[ . 1 . 2]" 1
129 1 7 ILE HA 1 8 ALA H . . 2.590 2.198 2.102 2.360 . 0 0 "[ . 1 . 2]" 1
130 1 7 ILE HA 1 8 ALA MB . . 4.620 3.861 3.796 3.974 . 0 0 "[ . 1 . 2]" 1
131 1 7 ILE HA 1 11 PHE QE . . 4.250 3.841 3.642 4.237 . 0 0 "[ . 1 . 2]" 1
132 1 7 ILE HB 1 7 ILE MD . . 3.160 2.326 2.297 2.361 . 0 0 "[ . 1 . 2]" 1
133 1 7 ILE HB 1 8 ALA H . . 2.900 2.845 2.657 2.919 0.019 6 0 "[ . 1 . 2]" 1
134 1 7 ILE HB 1 11 PHE QD . . 4.060 2.736 2.446 3.062 . 0 0 "[ . 1 . 2]" 1
135 1 7 ILE HB 1 21 TRP HB2 . . 5.380 5.394 5.360 5.413 0.033 19 0 "[ . 1 . 2]" 1
136 1 7 ILE MD 1 7 ILE MG . . 2.950 2.137 2.115 2.169 . 0 0 "[ . 1 . 2]" 1
137 1 7 ILE MD 1 8 ALA H . . 4.690 4.521 4.205 4.690 . 0 0 "[ . 1 . 2]" 1
138 1 7 ILE MD 1 11 PHE H . . 5.340 5.143 4.919 5.344 0.004 17 0 "[ . 1 . 2]" 1
139 1 7 ILE MD 1 11 PHE HB2 . . 3.860 3.222 2.994 3.496 . 0 0 "[ . 1 . 2]" 1
140 1 7 ILE MD 1 11 PHE HB3 . . 3.930 2.943 2.687 3.201 . 0 0 "[ . 1 . 2]" 1
141 1 7 ILE MD 1 11 PHE QD . . 3.740 3.086 2.877 3.331 . 0 0 "[ . 1 . 2]" 1
142 1 7 ILE MD 1 11 PHE QE . . 4.260 3.589 3.333 3.800 . 0 0 "[ . 1 . 2]" 1
143 1 7 ILE MD 1 21 TRP HB2 . . 4.130 2.667 2.613 2.828 . 0 0 "[ . 1 . 2]" 1
144 1 7 ILE MD 1 21 TRP HB3 . . 3.420 2.559 2.449 2.703 . 0 0 "[ . 1 . 2]" 1
145 1 7 ILE MD 1 21 TRP HD1 . . 5.000 4.968 4.852 5.006 0.006 18 0 "[ . 1 . 2]" 1
146 1 7 ILE MD 1 22 LYS H . . 4.470 4.240 4.098 4.375 . 0 0 "[ . 1 . 2]" 1
147 1 7 ILE MD 1 23 THR HB . . 3.960 3.230 2.949 3.419 . 0 0 "[ . 1 . 2]" 1
148 1 7 ILE MD 1 23 THR MG . . 3.760 3.609 3.404 3.762 0.002 14 0 "[ . 1 . 2]" 1
149 1 7 ILE MD 1 72 ILE HB . . 4.360 3.713 3.620 3.825 . 0 0 "[ . 1 . 2]" 1
150 1 7 ILE MD 1 72 ILE MD . . 3.360 2.300 2.188 2.379 . 0 0 "[ . 1 . 2]" 1
151 1 7 ILE MD 1 72 ILE HG13 . . 5.050 4.869 4.671 5.012 . 0 0 "[ . 1 . 2]" 1
152 1 7 ILE MD 1 85 ILE HB . . 5.320 3.853 3.602 4.063 . 0 0 "[ . 1 . 2]" 1
153 1 7 ILE MD 1 85 ILE MD . . 3.580 2.979 2.710 3.349 . 0 0 "[ . 1 . 2]" 1
154 1 7 ILE MD 1 85 ILE MG . . 4.430 3.452 3.222 3.677 . 0 0 "[ . 1 . 2]" 1
155 1 7 ILE HG12 1 7 ILE MG . . 3.210 2.365 2.317 2.411 . 0 0 "[ . 1 . 2]" 1
156 1 7 ILE HG12 1 21 TRP HB2 . . 4.430 3.490 3.372 3.666 . 0 0 "[ . 1 . 2]" 1
157 1 7 ILE HG12 1 21 TRP HB3 . . 3.970 2.383 2.256 2.593 . 0 0 "[ . 1 . 2]" 1
158 1 7 ILE HG12 1 21 TRP HE3 . . 5.130 4.774 4.519 4.950 . 0 0 "[ . 1 . 2]" 1
159 1 7 ILE HG12 1 22 LYS H . . 3.790 3.021 2.839 3.195 . 0 0 "[ . 1 . 2]" 1
160 1 7 ILE HG12 1 23 THR H . . 4.860 4.730 4.474 4.862 0.002 12 0 "[ . 1 . 2]" 1
161 1 7 ILE HG12 1 23 THR HA . . 4.580 4.405 4.190 4.597 0.017 15 0 "[ . 1 . 2]" 1
162 1 7 ILE HG12 1 23 THR HB . . 4.020 3.006 2.820 3.234 . 0 0 "[ . 1 . 2]" 1
163 1 7 ILE HG12 1 72 ILE MD . . 3.500 3.266 3.100 3.399 . 0 0 "[ . 1 . 2]" 1
164 1 7 ILE HG13 1 7 ILE MG . . 3.590 3.230 3.205 3.252 . 0 0 "[ . 1 . 2]" 1
165 1 7 ILE HG13 1 8 ALA H . . 4.290 4.148 3.928 4.295 0.005 18 0 "[ . 1 . 2]" 1
166 1 7 ILE HG13 1 11 PHE QE . . 5.500 5.407 5.125 5.517 0.017 6 0 "[ . 1 . 2]" 1
167 1 7 ILE HG13 1 21 TRP HB3 . . 4.290 4.039 3.928 4.213 . 0 0 "[ . 1 . 2]" 1
168 1 7 ILE HG13 1 23 THR HB . . 3.660 2.278 2.127 2.410 . 0 0 "[ . 1 . 2]" 1
169 1 7 ILE MG 1 8 ALA H . . 3.940 3.806 3.701 3.948 0.008 20 0 "[ . 1 . 2]" 1
170 1 7 ILE MG 1 11 PHE QE . . 3.860 2.670 2.406 2.988 . 0 0 "[ . 1 . 2]" 1
171 1 7 ILE MG 1 21 TRP HA . . 4.200 3.544 3.411 3.715 . 0 0 "[ . 1 . 2]" 1
172 1 7 ILE MG 1 21 TRP HB2 . . 4.220 3.288 3.212 3.346 . 0 0 "[ . 1 . 2]" 1
173 1 7 ILE MG 1 21 TRP HB3 . . 3.430 2.083 2.036 2.123 . 0 0 "[ . 1 . 2]" 1
174 1 7 ILE MG 1 21 TRP HD1 . . 3.550 3.325 3.053 3.478 . 0 0 "[ . 1 . 2]" 1
175 1 7 ILE MG 1 21 TRP HE1 . . 4.630 4.223 3.989 4.413 . 0 0 "[ . 1 . 2]" 1
176 1 7 ILE MG 1 22 LYS H . . 3.800 3.232 3.066 3.368 . 0 0 "[ . 1 . 2]" 1
177 1 7 ILE MG 1 72 ILE HB . . 5.500 5.552 5.518 5.598 0.098 20 0 "[ . 1 . 2]" 1
178 1 8 ALA H 1 8 ALA MB . . 2.800 2.417 2.319 2.573 . 0 0 "[ . 1 . 2]" 1
179 1 8 ALA H 1 9 LEU QD . . 4.600 4.210 4.013 4.543 . 0 0 "[ . 1 . 2]" 1
180 1 8 ALA H 1 11 PHE HB2 . . 5.140 4.276 3.717 4.624 . 0 0 "[ . 1 . 2]" 1
181 1 8 ALA H 1 11 PHE QD . . 4.350 3.099 2.801 3.304 . 0 0 "[ . 1 . 2]" 1
182 1 8 ALA H 1 11 PHE QE . . 4.770 4.073 3.785 4.616 . 0 0 "[ . 1 . 2]" 1
183 1 8 ALA HA 1 9 LEU H . . 2.590 2.214 2.054 2.350 . 0 0 "[ . 1 . 2]" 1
184 1 8 ALA HA 1 9 LEU HB3 . . 5.500 5.487 5.408 5.543 0.043 11 0 "[ . 1 . 2]" 1
185 1 8 ALA HA 1 9 LEU QD . . 4.300 3.178 2.512 3.442 . 0 0 "[ . 1 . 2]" 1
186 1 8 ALA HA 1 9 LEU HG . . 5.170 3.576 3.116 5.219 0.049 14 0 "[ . 1 . 2]" 1
187 1 8 ALA HA 1 25 GLN QE . . 4.230 2.259 1.849 2.957 . 0 0 "[ . 1 . 2]" 1
188 1 8 ALA MB 1 9 LEU H . . 2.970 2.797 2.618 3.009 0.039 11 0 "[ . 1 . 2]" 1
189 1 8 ALA MB 1 9 LEU QD . . 4.350 4.105 3.630 4.276 . 0 0 "[ . 1 . 2]" 1
190 1 8 ALA MB 1 25 GLN QB . . 5.340 4.822 4.136 5.207 . 0 0 "[ . 1 . 2]" 1
191 1 8 ALA MB 1 25 GLN HE21 . . 4.590 3.930 2.823 4.609 0.019 18 0 "[ . 1 . 2]" 1
192 1 8 ALA MB 1 25 GLN HE22 . . 4.590 2.607 2.202 3.148 . 0 0 "[ . 1 . 2]" 1
193 1 8 ALA MB 1 25 GLN QG . . 4.880 4.412 2.525 4.840 . 0 0 "[ . 1 . 2]" 1
194 1 9 LEU H 1 9 LEU HB2 . . 3.760 2.787 2.427 2.954 . 0 0 "[ . 1 . 2]" 1
195 1 9 LEU H 1 9 LEU HB3 . . 3.890 3.707 3.611 3.783 . 0 0 "[ . 1 . 2]" 1
196 1 9 LEU H 1 9 LEU QD . . 3.450 2.800 2.058 3.101 . 0 0 "[ . 1 . 2]" 1
197 1 9 LEU H 1 9 LEU HG . . 3.980 2.472 2.086 4.026 0.046 20 0 "[ . 1 . 2]" 1
198 1 9 LEU H 1 25 GLN QB . . 4.930 3.782 2.957 4.856 . 0 0 "[ . 1 . 2]" 1
199 1 9 LEU H 1 25 GLN HE21 . . 5.010 4.621 4.194 5.018 0.008 18 0 "[ . 1 . 2]" 1
200 1 9 LEU H 1 25 GLN QE . . 4.390 3.532 3.302 4.037 . 0 0 "[ . 1 . 2]" 1
201 1 9 LEU H 1 25 GLN HE22 . . 5.010 3.706 3.384 5.090 0.080 20 0 "[ . 1 . 2]" 1
202 1 9 LEU HA 1 9 LEU QD . . 3.010 2.440 2.313 2.734 . 0 0 "[ . 1 . 2]" 1
203 1 9 LEU HA 1 9 LEU HG . . 4.090 3.337 2.712 3.514 . 0 0 "[ . 1 . 2]" 1
204 1 9 LEU HA 1 10 PRO HB2 . . 4.700 4.669 4.615 4.712 0.012 12 0 "[ . 1 . 2]" 1
205 1 9 LEU HA 1 11 PHE H . . 3.420 2.999 2.656 3.298 . 0 0 "[ . 1 . 2]" 1
206 1 9 LEU HA 1 11 PHE HB2 . . 3.900 2.742 2.612 2.939 . 0 0 "[ . 1 . 2]" 1
207 1 9 LEU HA 1 11 PHE HB3 . . 4.320 3.854 3.563 4.063 . 0 0 "[ . 1 . 2]" 1
208 1 9 LEU HB2 1 10 PRO HA . . 3.830 3.488 3.321 3.808 . 0 0 "[ . 1 . 2]" 1
209 1 9 LEU HB2 1 11 PHE H . . 5.070 5.099 4.985 5.139 0.069 20 0 "[ . 1 . 2]" 1
210 1 9 LEU HB3 1 9 LEU MD1 . . 3.130 2.520 2.334 3.226 0.096 14 0 "[ . 1 . 2]" 1
211 1 9 LEU HB3 1 9 LEU QD . . 2.690 2.189 2.137 2.362 . 0 0 "[ . 1 . 2]" 1
212 1 9 LEU HB3 1 9 LEU MD2 . . 3.130 2.454 2.373 2.514 . 0 0 "[ . 1 . 2]" 1
213 1 9 LEU HB3 1 10 PRO HA . . 3.120 2.150 2.091 2.239 . 0 0 "[ . 1 . 2]" 1
214 1 9 LEU HB3 1 10 PRO HB2 . . 4.770 4.820 4.771 4.871 0.101 14 0 "[ . 1 . 2]" 1
215 1 9 LEU HB3 1 10 PRO HD2 . . 5.370 5.091 4.832 5.222 . 0 0 "[ . 1 . 2]" 1
216 1 9 LEU HB3 1 10 PRO HD3 . . 5.310 4.331 4.006 4.573 . 0 0 "[ . 1 . 2]" 1
217 1 9 LEU HB3 1 11 PHE H . . 3.840 3.543 3.407 3.646 . 0 0 "[ . 1 . 2]" 1
218 1 9 LEU HB3 1 11 PHE HB3 . . 4.990 4.936 4.641 5.110 0.120 10 0 "[ . 1 . 2]" 1
219 1 9 LEU HB3 1 86 LYS HA . . 4.280 4.060 3.713 4.353 0.073 4 0 "[ . 1 . 2]" 1
220 1 9 LEU QD 1 10 PRO HA . . 3.750 3.422 3.239 3.777 0.027 10 0 "[ . 1 . 2]" 1
221 1 9 LEU QD 1 11 PHE H . . 3.640 3.470 2.973 4.021 0.381 14 0 "[ . 1 . 2]" 1
222 1 9 LEU QD 1 11 PHE HA . . 4.700 4.730 4.373 5.154 0.454 10 0 "[ . 1 . 2]" 1
223 1 9 LEU QD 1 11 PHE HB2 . . 3.400 2.797 2.446 3.266 . 0 0 "[ . 1 . 2]" 1
224 1 9 LEU QD 1 11 PHE HB3 . . 3.830 3.179 2.839 3.643 . 0 0 "[ . 1 . 2]" 1
225 1 9 LEU QD 1 23 THR HA . . 4.480 4.575 4.122 4.827 0.347 5 0 "[ . 1 . 2]" 1
226 1 9 LEU QD 1 23 THR HB . . 4.150 3.084 2.678 3.290 . 0 0 "[ . 1 . 2]" 1
227 1 9 LEU QD 1 23 THR MG . . 2.830 2.191 2.080 2.311 . 0 0 "[ . 1 . 2]" 1
228 1 9 LEU QD 1 24 ASP H . . 4.590 4.496 3.886 4.794 0.204 7 0 "[ . 1 . 2]" 1
229 1 9 LEU QD 1 25 GLN H . . 3.710 3.499 3.126 3.978 0.268 7 0 "[ . 1 . 2]" 1
230 1 9 LEU QD 1 25 GLN QB . . 3.380 2.677 2.013 4.126 0.746 7 2 "[ . + 1 - . 2]" 1
231 1 9 LEU QD 1 25 GLN QE . . 4.790 3.951 3.255 4.248 . 0 0 "[ . 1 . 2]" 1
232 1 9 LEU QD 1 26 PHE H . . 3.960 3.600 3.128 3.897 . 0 0 "[ . 1 . 2]" 1
233 1 9 LEU QD 1 26 PHE HA . . 3.640 2.873 2.707 3.032 . 0 0 "[ . 1 . 2]" 1
234 1 9 LEU QD 1 26 PHE QD . . 3.390 2.105 2.027 2.222 . 0 0 "[ . 1 . 2]" 1
235 1 9 LEU QD 1 26 PHE QE . . 3.390 2.642 2.183 2.946 . 0 0 "[ . 1 . 2]" 1
236 1 9 LEU QD 1 27 SER H . . 4.210 3.878 3.705 3.972 . 0 0 "[ . 1 . 2]" 1
237 1 9 LEU QD 1 86 LYS HA . . 4.840 4.423 4.145 4.718 . 0 0 "[ . 1 . 2]" 1
238 1 9 LEU MD1 1 10 PRO HA . . 4.450 4.141 3.971 4.446 . 0 0 "[ . 1 . 2]" 1
239 1 9 LEU MD1 1 23 THR MG . . 3.400 2.648 2.144 3.078 . 0 0 "[ . 1 . 2]" 1
240 1 9 LEU MD1 1 24 ASP H . . 5.380 5.012 4.005 5.388 0.008 2 0 "[ . 1 . 2]" 1
241 1 9 LEU MD1 1 25 GLN HG2 . . 5.500 3.915 2.372 4.743 . 0 0 "[ . 1 . 2]" 1
242 1 9 LEU MD1 1 25 GLN HG3 . . 5.500 3.866 2.293 4.796 . 0 0 "[ . 1 . 2]" 1
243 1 9 LEU MD1 1 26 PHE H . . 5.470 3.807 3.164 4.887 . 0 0 "[ . 1 . 2]" 1
244 1 9 LEU MD2 1 10 PRO HA . . 4.450 3.652 3.421 4.153 . 0 0 "[ . 1 . 2]" 1
245 1 9 LEU MD2 1 23 THR MG . . 3.400 2.427 2.162 3.137 . 0 0 "[ . 1 . 2]" 1
246 1 9 LEU MD2 1 24 ASP H . . 5.380 5.159 4.773 5.408 0.028 12 0 "[ . 1 . 2]" 1
247 1 9 LEU MD2 1 25 GLN HG2 . . 5.500 4.847 3.630 5.556 0.056 6 0 "[ . 1 . 2]" 1
248 1 9 LEU MD2 1 25 GLN HG3 . . 5.500 4.823 3.990 5.411 . 0 0 "[ . 1 . 2]" 1
249 1 9 LEU MD2 1 26 PHE H . . 5.470 5.059 3.832 5.523 0.053 7 0 "[ . 1 . 2]" 1
250 1 9 LEU HG 1 23 THR MG . . 4.380 3.897 3.565 4.263 . 0 0 "[ . 1 . 2]" 1
251 1 9 LEU HG 1 25 GLN QB . . 4.530 3.181 2.139 4.542 0.012 10 0 "[ . 1 . 2]" 1
252 1 10 PRO HA 1 11 PHE H . . 2.760 2.201 2.133 2.257 . 0 0 "[ . 1 . 2]" 1
253 1 10 PRO HA 1 11 PHE HB3 . . 4.900 4.529 4.397 4.670 . 0 0 "[ . 1 . 2]" 1
254 1 10 PRO HA 1 85 ILE MG . . 4.630 4.478 4.176 4.640 0.010 13 0 "[ . 1 . 2]" 1
255 1 10 PRO HA 1 86 LYS HA . . 3.710 2.917 2.598 3.230 . 0 0 "[ . 1 . 2]" 1
256 1 10 PRO HB2 1 11 PHE H . . 3.710 3.163 2.939 3.414 . 0 0 "[ . 1 . 2]" 1
257 1 10 PRO HB2 1 11 PHE HA . . 4.670 4.536 4.369 4.695 0.025 18 0 "[ . 1 . 2]" 1
258 1 10 PRO HB2 1 86 LYS HA . . 4.150 3.177 2.811 3.430 . 0 0 "[ . 1 . 2]" 1
259 1 10 PRO HB2 1 86 LYS QD . . 4.090 3.475 2.635 4.103 0.013 6 0 "[ . 1 . 2]" 1
260 1 10 PRO HB3 1 11 PHE H . . 4.030 3.817 3.676 3.975 . 0 0 "[ . 1 . 2]" 1
261 1 10 PRO HB3 1 86 LYS HA . . 3.800 2.451 2.110 2.645 . 0 0 "[ . 1 . 2]" 1
262 1 10 PRO HB3 1 86 LYS QD . . 4.240 3.601 2.488 4.200 . 0 0 "[ . 1 . 2]" 1
263 1 10 PRO HD3 1 86 LYS HA . . 4.950 4.950 4.696 4.991 0.041 15 0 "[ . 1 . 2]" 1
264 1 10 PRO QG 1 11 PHE H . . 4.790 4.464 4.331 4.591 . 0 0 "[ . 1 . 2]" 1
265 1 11 PHE H 1 11 PHE HB2 . . 3.470 2.956 2.800 3.128 . 0 0 "[ . 1 . 2]" 1
266 1 11 PHE H 1 11 PHE HB3 . . 3.150 2.668 2.518 2.774 . 0 0 "[ . 1 . 2]" 1
267 1 11 PHE H 1 11 PHE QD . . 4.360 4.341 4.273 4.383 0.023 7 0 "[ . 1 . 2]" 1
268 1 11 PHE H 1 12 SER H . . 4.680 4.475 4.380 4.587 . 0 0 "[ . 1 . 2]" 1
269 1 11 PHE H 1 85 ILE H . . 3.690 3.239 3.062 3.418 . 0 0 "[ . 1 . 2]" 1
270 1 11 PHE H 1 85 ILE HB . . 3.680 3.095 2.833 3.276 . 0 0 "[ . 1 . 2]" 1
271 1 11 PHE H 1 85 ILE MD . . 4.790 4.086 3.947 4.267 . 0 0 "[ . 1 . 2]" 1
272 1 11 PHE H 1 86 LYS HA . . 4.590 3.629 3.300 4.074 . 0 0 "[ . 1 . 2]" 1
273 1 11 PHE H 1 86 LYS QD . . 5.340 4.401 3.728 5.058 . 0 0 "[ . 1 . 2]" 1
274 1 11 PHE HA 1 11 PHE QD . . 3.600 3.006 2.865 3.204 . 0 0 "[ . 1 . 2]" 1
275 1 11 PHE HA 1 12 SER H . . 2.650 2.258 2.190 2.354 . 0 0 "[ . 1 . 2]" 1
276 1 11 PHE HB2 1 85 ILE HB . . 4.150 3.861 3.742 3.977 . 0 0 "[ . 1 . 2]" 1
277 1 11 PHE HB3 1 12 SER H . . 4.010 3.873 3.644 4.025 0.015 17 0 "[ . 1 . 2]" 1
278 1 11 PHE HB3 1 12 SER HA . . 4.610 4.494 4.367 4.634 0.024 10 0 "[ . 1 . 2]" 1
279 1 11 PHE HB3 1 85 ILE H . . 4.080 3.751 3.574 3.974 . 0 0 "[ . 1 . 2]" 1
280 1 11 PHE HB3 1 85 ILE HB . . 3.630 2.390 2.254 2.522 . 0 0 "[ . 1 . 2]" 1
281 1 11 PHE HB3 1 85 ILE MD . . 3.890 2.631 2.505 2.816 . 0 0 "[ . 1 . 2]" 1
282 1 11 PHE HB3 1 85 ILE HG12 . . 4.470 4.420 4.248 4.490 0.020 10 0 "[ . 1 . 2]" 1
283 1 11 PHE HB3 1 85 ILE HG13 . . 4.940 4.958 4.885 4.998 0.058 10 0 "[ . 1 . 2]" 1
284 1 11 PHE HB3 1 85 ILE MG . . 4.360 3.697 3.300 3.929 . 0 0 "[ . 1 . 2]" 1
285 1 11 PHE QD 1 12 SER H . . 3.600 3.096 2.841 3.259 . 0 0 "[ . 1 . 2]" 1
286 1 11 PHE QD 1 12 SER HA . . 4.310 3.113 2.722 3.357 . 0 0 "[ . 1 . 2]" 1
287 1 11 PHE QD 1 85 ILE HB . . 4.500 3.816 3.518 4.048 . 0 0 "[ . 1 . 2]" 1
288 1 11 PHE QD 1 85 ILE MD . . 3.300 2.163 1.983 2.318 . 0 0 "[ . 1 . 2]" 1
289 1 11 PHE QD 1 85 ILE HG13 . . 5.340 5.012 4.640 5.205 . 0 0 "[ . 1 . 2]" 1
290 1 11 PHE QE 1 12 SER H . . 4.640 4.063 3.824 4.358 . 0 0 "[ . 1 . 2]" 1
291 1 11 PHE QE 1 13 TYR H . . 4.650 4.592 3.829 4.699 0.049 1 0 "[ . 1 . 2]" 1
292 1 11 PHE QE 1 13 TYR HB2 . . 4.300 3.584 3.128 3.932 . 0 0 "[ . 1 . 2]" 1
293 1 11 PHE QE 1 21 TRP HE1 . . 5.500 5.512 5.208 5.576 0.076 10 0 "[ . 1 . 2]" 1
294 1 11 PHE QE 1 83 VAL MG1 . . 4.680 4.152 3.279 4.645 . 0 0 "[ . 1 . 2]" 1
295 1 11 PHE QE 1 85 ILE MD . . 5.020 3.727 3.267 4.007 . 0 0 "[ . 1 . 2]" 1
296 1 12 SER H 1 12 SER HB3 . . 4.060 3.568 3.432 3.666 . 0 0 "[ . 1 . 2]" 1
297 1 12 SER H 1 13 TYR H . . 4.640 4.346 4.218 4.398 . 0 0 "[ . 1 . 2]" 1
298 1 12 SER H 1 13 TYR HA . . 4.950 4.907 4.798 4.973 0.023 10 0 "[ . 1 . 2]" 1
299 1 12 SER H 1 83 VAL MG1 . . 5.190 5.020 4.914 5.105 . 0 0 "[ . 1 . 2]" 1
300 1 12 SER HA 1 13 TYR H . . 2.820 2.242 2.124 2.334 . 0 0 "[ . 1 . 2]" 1
301 1 12 SER HA 1 13 TYR HA . . 4.640 4.502 4.440 4.564 . 0 0 "[ . 1 . 2]" 1
302 1 12 SER HA 1 83 VAL H . . 4.680 4.465 4.261 4.597 . 0 0 "[ . 1 . 2]" 1
303 1 12 SER HA 1 83 VAL HB . . 5.500 5.555 5.506 5.602 0.102 5 0 "[ . 1 . 2]" 1
304 1 12 SER HA 1 83 VAL MG1 . . 3.860 2.758 2.678 2.841 . 0 0 "[ . 1 . 2]" 1
305 1 12 SER HA 1 83 VAL MG2 . . 4.870 4.675 4.511 4.785 . 0 0 "[ . 1 . 2]" 1
306 1 12 SER HA 1 84 GLU HA . . 3.230 2.699 2.419 2.961 . 0 0 "[ . 1 . 2]" 1
307 1 12 SER HA 1 84 GLU HB2 . . 5.190 4.741 4.093 5.238 0.048 7 0 "[ . 1 . 2]" 1
308 1 12 SER HA 1 84 GLU QB . . 4.420 4.090 3.531 4.484 0.064 20 0 "[ . 1 . 2]" 1
309 1 12 SER HA 1 84 GLU HB3 . . 5.190 4.568 3.775 5.269 0.079 1 0 "[ . 1 . 2]" 1
310 1 12 SER HA 1 85 ILE H . . 3.860 3.532 3.429 3.656 . 0 0 "[ . 1 . 2]" 1
311 1 12 SER HA 1 85 ILE MD . . 4.940 2.909 2.678 3.175 . 0 0 "[ . 1 . 2]" 1
312 1 12 SER HB2 1 13 TYR H . . 3.580 2.554 2.262 2.876 . 0 0 "[ . 1 . 2]" 1
313 1 12 SER HB2 1 83 VAL H . . 5.500 3.827 3.516 4.092 . 0 0 "[ . 1 . 2]" 1
314 1 12 SER HB2 1 83 VAL MG1 . . 4.550 3.934 3.745 4.094 . 0 0 "[ . 1 . 2]" 1
315 1 12 SER HB3 1 13 TYR H . . 3.910 3.688 3.518 3.921 0.011 13 0 "[ . 1 . 2]" 1
316 1 12 SER HB3 1 83 VAL H . . 5.270 4.996 4.783 5.289 0.019 7 0 "[ . 1 . 2]" 1
317 1 12 SER HB3 1 83 VAL MG1 . . 4.300 4.322 4.246 4.354 0.054 8 0 "[ . 1 . 2]" 1
318 1 12 SER HB3 1 84 GLU H . . 5.260 5.171 4.919 5.310 0.050 11 0 "[ . 1 . 2]" 1
319 1 12 SER HB3 1 84 GLU HA . . 3.780 2.630 2.354 2.824 . 0 0 "[ . 1 . 2]" 1
320 1 12 SER HB3 1 84 GLU HB2 . . 4.420 3.457 2.643 4.087 . 0 0 "[ . 1 . 2]" 1
321 1 12 SER HB3 1 84 GLU HB3 . . 4.420 3.283 2.234 4.320 . 0 0 "[ . 1 . 2]" 1
322 1 12 SER HB3 1 85 ILE H . . 4.240 3.786 3.449 4.087 . 0 0 "[ . 1 . 2]" 1
323 1 13 TYR H 1 13 TYR HB2 . . 4.020 3.905 3.791 3.978 . 0 0 "[ . 1 . 2]" 1
324 1 13 TYR H 1 13 TYR HB3 . . 3.420 2.924 2.822 3.033 . 0 0 "[ . 1 . 2]" 1
325 1 13 TYR H 1 13 TYR QD . . 3.960 3.588 3.067 3.973 0.013 15 0 "[ . 1 . 2]" 1
326 1 13 TYR H 1 14 ASP H . . 4.930 4.380 4.307 4.471 . 0 0 "[ . 1 . 2]" 1
327 1 13 TYR H 1 14 ASP HA . . 5.500 4.804 4.681 4.923 . 0 0 "[ . 1 . 2]" 1
328 1 13 TYR H 1 82 HIS HA . . 5.500 4.618 4.395 4.843 . 0 0 "[ . 1 . 2]" 1
329 1 13 TYR H 1 83 VAL H . . 3.400 2.948 2.788 3.225 . 0 0 "[ . 1 . 2]" 1
330 1 13 TYR H 1 83 VAL MG1 . . 3.060 2.139 1.992 2.315 . 0 0 "[ . 1 . 2]" 1
331 1 13 TYR H 1 84 GLU HA . . 4.650 4.217 3.956 4.522 . 0 0 "[ . 1 . 2]" 1
332 1 13 TYR H 1 85 ILE H . . 5.500 5.553 5.509 5.595 0.095 2 0 "[ . 1 . 2]" 1
333 1 13 TYR HA 1 14 ASP H . . 2.720 2.308 2.211 2.402 . 0 0 "[ . 1 . 2]" 1
334 1 13 TYR HA 1 14 ASP HA . . 4.510 4.467 4.379 4.526 0.016 12 0 "[ . 1 . 2]" 1
335 1 13 TYR HA 1 83 VAL MG1 . . 4.640 4.225 3.989 4.443 . 0 0 "[ . 1 . 2]" 1
336 1 13 TYR HB2 1 14 ASP H . . 3.170 3.167 3.001 3.268 0.098 15 0 "[ . 1 . 2]" 1
337 1 13 TYR HB2 1 21 TRP HZ3 . . 4.270 4.230 3.794 4.333 0.063 15 0 "[ . 1 . 2]" 1
338 1 13 TYR HB2 1 83 VAL MG1 . . 4.670 4.214 3.866 4.509 . 0 0 "[ . 1 . 2]" 1
339 1 13 TYR HB3 1 21 TRP HH2 . . 4.300 2.682 2.375 3.266 . 0 0 "[ . 1 . 2]" 1
340 1 13 TYR HB3 1 83 VAL MG1 . . 3.410 2.979 2.510 3.377 . 0 0 "[ . 1 . 2]" 1
341 1 13 TYR QD 1 15 GLY H . . 5.040 4.712 3.757 5.087 0.047 17 0 "[ . 1 . 2]" 1
342 1 13 TYR QD 1 42 LEU MD1 . . 4.560 3.958 3.602 4.145 . 0 0 "[ . 1 . 2]" 1
343 1 13 TYR QD 1 42 LEU MD2 . . 3.950 3.901 3.338 3.977 0.027 1 0 "[ . 1 . 2]" 1
344 1 13 TYR QD 1 82 HIS HA . . 5.500 5.200 4.144 5.504 0.004 7 0 "[ . 1 . 2]" 1
345 1 13 TYR QD 1 83 VAL H . . 4.720 4.514 3.622 4.704 . 0 0 "[ . 1 . 2]" 1
346 1 13 TYR QD 1 83 VAL HB . . 4.070 3.633 2.866 3.902 . 0 0 "[ . 1 . 2]" 1
347 1 13 TYR QD 1 83 VAL MG1 . . 2.940 1.995 1.944 2.055 . 0 0 "[ . 1 . 2]" 1
348 1 13 TYR QD 1 83 VAL MG2 . . 4.240 4.097 3.907 4.248 0.008 1 0 "[ . 1 . 2]" 1
349 1 13 TYR QE 1 21 TRP HH2 . . 4.910 3.937 3.678 4.096 . 0 0 "[ . 1 . 2]" 1
350 1 13 TYR QE 1 21 TRP HZ2 . . 5.500 5.394 4.574 5.578 0.078 15 0 "[ . 1 . 2]" 1
351 1 13 TYR QE 1 41 ASN QD . . 5.310 5.050 4.556 5.340 0.030 14 0 "[ . 1 . 2]" 1
352 1 13 TYR QE 1 42 LEU MD1 . . 3.660 2.904 2.612 3.163 . 0 0 "[ . 1 . 2]" 1
353 1 13 TYR QE 1 74 TYR HB2 . . 3.950 3.829 3.509 4.004 0.054 14 0 "[ . 1 . 2]" 1
354 1 13 TYR QE 1 74 TYR HB3 . . 3.570 2.735 2.437 3.212 . 0 0 "[ . 1 . 2]" 1
355 1 13 TYR QE 1 75 LYS H . . 4.920 4.879 4.651 4.974 0.054 10 0 "[ . 1 . 2]" 1
356 1 13 TYR QE 1 83 VAL H . . 5.500 5.483 5.357 5.545 0.045 14 0 "[ . 1 . 2]" 1
357 1 13 TYR QE 1 83 VAL HB . . 3.990 3.792 3.502 4.002 0.012 7 0 "[ . 1 . 2]" 1
358 1 13 TYR QE 1 83 VAL MG1 . . 3.450 3.230 2.919 3.469 0.019 18 0 "[ . 1 . 2]" 1
359 1 13 TYR QE 1 83 VAL MG2 . . 4.480 4.335 4.032 4.487 0.007 5 0 "[ . 1 . 2]" 1
360 1 14 ASP H 1 14 ASP QB . . 3.540 3.235 2.619 3.489 . 0 0 "[ . 1 . 2]" 1
361 1 14 ASP H 1 15 GLY H . . 4.680 4.290 3.989 4.441 . 0 0 "[ . 1 . 2]" 1
362 1 14 ASP H 1 83 VAL MG1 . . 5.400 5.011 4.755 5.220 . 0 0 "[ . 1 . 2]" 1
363 1 14 ASP HA 1 15 GLY H . . 2.880 2.136 2.023 2.257 . 0 0 "[ . 1 . 2]" 1
364 1 14 ASP HA 1 83 VAL MG1 . . 4.910 4.733 4.429 4.940 0.030 3 0 "[ . 1 . 2]" 1
365 1 14 ASP QB 1 15 GLY H . . 3.700 3.008 2.524 3.704 0.004 14 0 "[ . 1 . 2]" 1
366 1 14 ASP HB2 1 15 GLY H . . 4.550 3.185 2.587 4.370 . 0 0 "[ . 1 . 2]" 1
367 1 14 ASP HB3 1 15 GLY H . . 4.550 3.867 3.507 4.473 . 0 0 "[ . 1 . 2]" 1
368 1 15 GLY H 1 16 ALA MB . . 5.470 5.413 5.286 5.509 0.039 6 0 "[ . 1 . 2]" 1
369 1 15 GLY H 1 80 TRP H . . 5.500 5.478 5.137 5.562 0.062 9 0 "[ . 1 . 2]" 1
370 1 15 GLY H 1 80 TRP HA . . 4.780 4.378 3.911 4.659 . 0 0 "[ . 1 . 2]" 1
371 1 15 GLY H 1 81 GLY H . . 4.210 3.609 3.263 3.880 . 0 0 "[ . 1 . 2]" 1
372 1 15 GLY H 1 81 GLY HA3 . . 4.450 3.554 2.946 3.997 . 0 0 "[ . 1 . 2]" 1
373 1 15 GLY HA2 1 16 ALA H . . 3.000 2.422 2.169 2.687 . 0 0 "[ . 1 . 2]" 1
374 1 15 GLY HA2 1 79 SER HA . . 3.750 3.352 2.832 3.670 . 0 0 "[ . 1 . 2]" 1
375 1 15 GLY HA2 1 80 TRP HA . . 4.740 3.495 2.909 4.434 . 0 0 "[ . 1 . 2]" 1
376 1 15 GLY HA2 1 81 GLY H . . 4.240 3.105 2.691 3.653 . 0 0 "[ . 1 . 2]" 1
377 1 15 GLY HA3 1 16 ALA H . . 3.440 2.832 2.492 3.136 . 0 0 "[ . 1 . 2]" 1
378 1 15 GLY HA3 1 16 ALA MB . . 4.870 4.516 4.339 4.699 . 0 0 "[ . 1 . 2]" 1
379 1 16 ALA H 1 16 ALA MB . . 2.800 2.233 2.163 2.306 . 0 0 "[ . 1 . 2]" 1
380 1 16 ALA H 1 17 GLY H . . 4.600 4.554 4.347 4.639 0.039 6 0 "[ . 1 . 2]" 1
381 1 16 ALA H 1 77 GLY H . . 5.090 4.904 4.493 5.143 0.053 10 0 "[ . 1 . 2]" 1
382 1 16 ALA H 1 79 SER HA . . 2.780 2.444 2.302 2.595 . 0 0 "[ . 1 . 2]" 1
383 1 16 ALA H 1 79 SER QB . . 4.360 4.358 4.047 4.423 0.063 7 0 "[ . 1 . 2]" 1
384 1 16 ALA H 1 80 TRP H . . 4.940 4.722 4.046 4.967 0.027 6 0 "[ . 1 . 2]" 1
385 1 16 ALA H 1 81 GLY H . . 4.820 3.932 3.369 4.163 . 0 0 "[ . 1 . 2]" 1
386 1 16 ALA H 1 81 GLY HA3 . . 4.930 4.886 4.392 5.027 0.097 5 0 "[ . 1 . 2]" 1
387 1 16 ALA HA 1 17 GLY H . . 2.730 2.239 2.169 2.315 . 0 0 "[ . 1 . 2]" 1
388 1 16 ALA HA 1 17 GLY HA2 . . 4.780 4.465 4.414 4.561 . 0 0 "[ . 1 . 2]" 1
389 1 16 ALA HA 1 76 SER QB . . 4.650 4.010 3.454 4.491 . 0 0 "[ . 1 . 2]" 1
390 1 16 ALA HA 1 78 VAL H . . 3.450 3.335 3.059 3.495 0.045 4 0 "[ . 1 . 2]" 1
391 1 16 ALA HA 1 78 VAL MG2 . . 4.340 4.392 4.359 4.424 0.084 19 0 "[ . 1 . 2]" 1
392 1 16 ALA HA 1 81 GLY HA3 . . 5.030 4.276 3.988 4.603 . 0 0 "[ . 1 . 2]" 1
393 1 16 ALA MB 1 17 GLY H . . 3.480 3.232 2.844 3.505 0.025 7 0 "[ . 1 . 2]" 1
394 1 16 ALA MB 1 17 GLY HA2 . . 4.220 3.912 3.646 4.123 . 0 0 "[ . 1 . 2]" 1
395 1 16 ALA MB 1 17 GLY HA3 . . 4.770 4.619 4.424 4.806 0.036 14 0 "[ . 1 . 2]" 1
396 1 16 ALA MB 1 76 SER QB . . 4.640 2.278 2.092 2.499 . 0 0 "[ . 1 . 2]" 1
397 1 16 ALA MB 1 77 GLY H . . 4.400 2.278 1.945 2.903 . 0 0 "[ . 1 . 2]" 1
398 1 16 ALA MB 1 77 GLY HA2 . . 4.520 4.074 3.778 4.353 . 0 0 "[ . 1 . 2]" 1
399 1 16 ALA MB 1 77 GLY QA . . 3.920 3.728 3.553 3.945 0.025 20 0 "[ . 1 . 2]" 1
400 1 16 ALA MB 1 77 GLY HA3 . . 4.520 4.327 4.146 4.525 0.005 20 0 "[ . 1 . 2]" 1
401 1 16 ALA MB 1 78 VAL H . . 3.950 2.374 2.023 2.761 . 0 0 "[ . 1 . 2]" 1
402 1 16 ALA MB 1 78 VAL HA . . 3.680 3.504 3.315 3.655 . 0 0 "[ . 1 . 2]" 1
403 1 16 ALA MB 1 78 VAL MG1 . . 4.540 4.564 4.484 4.607 0.067 10 0 "[ . 1 . 2]" 1
404 1 16 ALA MB 1 79 SER HA . . 3.450 2.909 2.626 3.448 . 0 0 "[ . 1 . 2]" 1
405 1 16 ALA MB 1 79 SER QB . . 4.800 4.270 3.734 4.662 . 0 0 "[ . 1 . 2]" 1
406 1 16 ALA MB 1 81 GLY H . . 4.590 4.260 4.066 4.493 . 0 0 "[ . 1 . 2]" 1
407 1 16 ALA MB 1 81 GLY HA3 . . 4.700 4.722 4.649 4.765 0.065 19 0 "[ . 1 . 2]" 1
408 1 17 GLY H 1 18 GLU H . . 4.610 4.275 4.154 4.417 . 0 0 "[ . 1 . 2]" 1
409 1 17 GLY H 1 75 LYS HA . . 5.130 4.918 4.525 5.146 0.016 16 0 "[ . 1 . 2]" 1
410 1 17 GLY H 1 77 GLY H . . 4.610 3.918 3.568 4.191 . 0 0 "[ . 1 . 2]" 1
411 1 17 GLY H 1 78 VAL H . . 5.190 5.165 4.996 5.228 0.038 18 0 "[ . 1 . 2]" 1
412 1 17 GLY HA2 1 18 GLU H . . 3.020 2.221 2.128 2.400 . 0 0 "[ . 1 . 2]" 1
413 1 17 GLY HA2 1 75 LYS HA . . 5.380 5.399 5.224 5.456 0.076 19 0 "[ . 1 . 2]" 1
414 1 17 GLY HA2 1 76 SER H . . 4.370 4.234 4.011 4.382 0.012 2 0 "[ . 1 . 2]" 1
415 1 17 GLY HA3 1 18 GLU H . . 3.020 2.960 2.690 3.047 0.027 1 0 "[ . 1 . 2]" 1
416 1 17 GLY HA3 1 76 SER H . . 5.500 5.240 5.053 5.508 0.008 2 0 "[ . 1 . 2]" 1
417 1 18 GLU H 1 18 GLU HB2 . . 3.560 2.794 2.592 3.132 . 0 0 "[ . 1 . 2]" 1
418 1 18 GLU H 1 18 GLU QB . . 3.030 2.330 2.211 2.411 . 0 0 "[ . 1 . 2]" 1
419 1 18 GLU H 1 18 GLU HB3 . . 3.560 2.505 2.342 2.632 . 0 0 "[ . 1 . 2]" 1
420 1 18 GLU H 1 18 GLU HG3 . . 4.730 4.591 4.446 4.714 . 0 0 "[ . 1 . 2]" 1
421 1 18 GLU H 1 19 TYR H . . 4.620 4.458 4.147 4.564 . 0 0 "[ . 1 . 2]" 1
422 1 18 GLU H 1 19 TYR HA . . 5.440 5.281 4.845 5.443 0.003 18 0 "[ . 1 . 2]" 1
423 1 18 GLU H 1 75 LYS HA . . 4.700 4.474 4.300 4.617 . 0 0 "[ . 1 . 2]" 1
424 1 18 GLU H 1 75 LYS QG . . 5.250 5.227 4.984 5.316 0.066 12 0 "[ . 1 . 2]" 1
425 1 18 GLU H 1 76 SER H . . 5.100 3.914 3.542 4.285 . 0 0 "[ . 1 . 2]" 1
426 1 18 GLU HA 1 18 GLU HG2 . . 4.240 3.085 2.659 3.275 . 0 0 "[ . 1 . 2]" 1
427 1 18 GLU HA 1 18 GLU HG3 . . 3.630 2.541 2.286 2.784 . 0 0 "[ . 1 . 2]" 1
428 1 18 GLU HA 1 19 TYR H . . 2.820 2.165 2.119 2.209 . 0 0 "[ . 1 . 2]" 1
429 1 18 GLU HA 1 19 TYR HA . . 4.720 4.476 4.428 4.500 . 0 0 "[ . 1 . 2]" 1
430 1 18 GLU HA 1 75 LYS H . . 4.750 4.378 4.181 4.635 . 0 0 "[ . 1 . 2]" 1
431 1 18 GLU HA 1 75 LYS HA . . 3.330 2.187 2.058 2.331 . 0 0 "[ . 1 . 2]" 1
432 1 18 GLU HA 1 75 LYS QG . . 4.030 3.795 3.558 4.030 . 0 0 "[ . 1 . 2]" 1
433 1 18 GLU HA 1 76 SER H . . 3.990 3.200 3.025 3.389 . 0 0 "[ . 1 . 2]" 1
434 1 18 GLU QB 1 75 LYS QG . . 4.160 2.953 2.544 3.363 . 0 0 "[ . 1 . 2]" 1
435 1 18 GLU HG2 1 19 TYR H . . 3.970 3.301 2.657 3.977 0.007 14 0 "[ . 1 . 2]" 1
436 1 18 GLU HG3 1 19 TYR H . . 4.360 3.353 2.948 4.017 . 0 0 "[ . 1 . 2]" 1
437 1 18 GLU HG3 1 75 LYS H . . 5.500 5.171 4.691 5.556 0.056 11 0 "[ . 1 . 2]" 1
438 1 18 GLU HG3 1 75 LYS HA . . 4.500 2.750 2.251 3.044 . 0 0 "[ . 1 . 2]" 1
439 1 18 GLU HG3 1 75 LYS QE . . 5.140 4.710 3.638 5.189 0.049 4 0 "[ . 1 . 2]" 1
440 1 18 GLU HG3 1 75 LYS QG . . 3.650 2.775 2.342 3.295 . 0 0 "[ . 1 . 2]" 1
441 1 18 GLU HG3 1 76 SER H . . 4.410 4.013 3.584 4.308 . 0 0 "[ . 1 . 2]" 1
442 1 19 TYR H 1 19 TYR HB2 . . 3.830 2.842 2.685 2.928 . 0 0 "[ . 1 . 2]" 1
443 1 19 TYR H 1 19 TYR QD . . 3.900 3.625 3.132 3.907 0.007 11 0 "[ . 1 . 2]" 1
444 1 19 TYR H 1 20 TYR H . . 4.610 4.492 4.426 4.552 . 0 0 "[ . 1 . 2]" 1
445 1 19 TYR H 1 20 TYR HA . . 4.990 4.981 4.806 5.073 0.083 10 0 "[ . 1 . 2]" 1
446 1 19 TYR H 1 74 TYR HA . . 4.750 4.615 4.448 4.725 . 0 0 "[ . 1 . 2]" 1
447 1 19 TYR H 1 74 TYR HB2 . . 3.390 2.657 2.300 2.837 . 0 0 "[ . 1 . 2]" 1
448 1 19 TYR H 1 74 TYR HB3 . . 4.240 4.077 3.741 4.257 0.017 2 0 "[ . 1 . 2]" 1
449 1 19 TYR H 1 75 LYS HA . . 4.010 3.732 3.590 3.864 . 0 0 "[ . 1 . 2]" 1
450 1 19 TYR HA 1 19 TYR QD . . 3.600 2.651 2.435 3.045 . 0 0 "[ . 1 . 2]" 1
451 1 19 TYR HA 1 20 TYR H . . 2.850 2.334 2.205 2.439 . 0 0 "[ . 1 . 2]" 1
452 1 19 TYR HA 1 20 TYR HA . . 4.550 4.500 4.382 4.565 0.015 7 0 "[ . 1 . 2]" 1
453 1 19 TYR HA 1 20 TYR HB2 . . 4.270 4.096 3.730 4.271 0.001 20 0 "[ . 1 . 2]" 1
454 1 19 TYR HA 1 74 TYR H . . 4.860 4.843 4.726 4.910 0.050 7 0 "[ . 1 . 2]" 1
455 1 19 TYR HB2 1 20 TYR H . . 4.180 3.738 3.565 4.065 . 0 0 "[ . 1 . 2]" 1
456 1 19 TYR HB2 1 21 TRP HE1 . . 4.600 4.591 4.093 4.678 0.078 10 0 "[ . 1 . 2]" 1
457 1 19 TYR HB2 1 21 TRP HH2 . . 5.500 3.769 3.395 3.988 . 0 0 "[ . 1 . 2]" 1
458 1 19 TYR HB2 1 21 TRP HZ2 . . 5.450 3.421 3.253 3.653 . 0 0 "[ . 1 . 2]" 1
459 1 19 TYR HB2 1 74 TYR H . . 4.660 4.028 3.811 4.332 . 0 0 "[ . 1 . 2]" 1
460 1 19 TYR HB2 1 74 TYR HB2 . . 4.000 2.526 2.192 2.784 . 0 0 "[ . 1 . 2]" 1
461 1 19 TYR HB2 1 74 TYR HB3 . . 5.070 4.082 3.726 4.366 . 0 0 "[ . 1 . 2]" 1
462 1 19 TYR HB3 1 20 TYR H . . 3.320 2.487 2.316 2.781 . 0 0 "[ . 1 . 2]" 1
463 1 19 TYR HB3 1 21 TRP HE1 . . 3.990 3.103 2.711 3.314 . 0 0 "[ . 1 . 2]" 1
464 1 19 TYR HB3 1 74 TYR HB2 . . 4.750 4.143 3.800 4.476 . 0 0 "[ . 1 . 2]" 1
465 1 19 TYR QD 1 21 TRP HE1 . . 4.070 3.353 2.433 4.073 0.003 3 0 "[ . 1 . 2]" 1
466 1 19 TYR QD 1 21 TRP HZ2 . . 4.860 3.168 3.007 3.357 . 0 0 "[ . 1 . 2]" 1
467 1 20 TYR H 1 20 TYR HB2 . . 3.380 2.798 2.692 2.991 . 0 0 "[ . 1 . 2]" 1
468 1 20 TYR H 1 20 TYR QD . . 4.610 4.366 4.080 4.539 . 0 0 "[ . 1 . 2]" 1
469 1 20 TYR H 1 21 TRP H . . 4.690 4.117 3.937 4.270 . 0 0 "[ . 1 . 2]" 1
470 1 20 TYR H 1 21 TRP HD1 . . 4.970 4.023 3.639 4.397 . 0 0 "[ . 1 . 2]" 1
471 1 20 TYR H 1 21 TRP HE1 . . 4.660 3.968 3.574 4.399 . 0 0 "[ . 1 . 2]" 1
472 1 20 TYR HA 1 21 TRP H . . 2.920 2.056 2.019 2.090 . 0 0 "[ . 1 . 2]" 1
473 1 20 TYR HA 1 21 TRP HE3 . . 5.500 5.593 5.529 5.643 0.143 15 0 "[ . 1 . 2]" 1
474 1 20 TYR HA 1 73 HIS HA . . 3.670 2.581 2.362 2.749 . 0 0 "[ . 1 . 2]" 1
475 1 20 TYR HA 1 74 TYR H . . 4.330 3.741 3.479 4.007 . 0 0 "[ . 1 . 2]" 1
476 1 20 TYR HA 1 74 TYR QD . . 3.970 3.225 3.017 3.425 . 0 0 "[ . 1 . 2]" 1
477 1 20 TYR HB2 1 73 HIS QB . . 5.080 5.100 5.037 5.133 0.053 13 0 "[ . 1 . 2]" 1
478 1 20 TYR HB3 1 21 TRP H . . 4.310 3.730 3.452 4.068 . 0 0 "[ . 1 . 2]" 1
479 1 20 TYR QD 1 21 TRP H . . 4.200 2.777 2.491 3.150 . 0 0 "[ . 1 . 2]" 1
480 1 20 TYR QD 1 73 HIS QB . . 4.720 3.411 3.132 3.710 . 0 0 "[ . 1 . 2]" 1
481 1 20 TYR QE 1 48 ASN H . . 5.270 4.699 3.934 5.348 0.078 14 0 "[ . 1 . 2]" 1
482 1 20 TYR QE 1 71 TYR HB2 . . 3.900 3.853 3.337 3.990 0.090 6 0 "[ . 1 . 2]" 1
483 1 20 TYR QE 1 71 TYR HB3 . . 3.870 3.462 2.565 3.906 0.036 6 0 "[ . 1 . 2]" 1
484 1 20 TYR QE 1 73 HIS HA . . 4.280 4.066 3.721 4.294 0.014 20 0 "[ . 1 . 2]" 1
485 1 20 TYR QE 1 73 HIS QB . . 4.400 2.812 2.618 3.231 . 0 0 "[ . 1 . 2]" 1
486 1 21 TRP H 1 21 TRP HB2 . . 3.370 2.595 2.442 2.698 . 0 0 "[ . 1 . 2]" 1
487 1 21 TRP H 1 22 LYS H . . 4.520 4.494 4.453 4.522 0.002 7 0 "[ . 1 . 2]" 1
488 1 21 TRP H 1 72 ILE H . . 3.880 3.295 3.121 3.455 . 0 0 "[ . 1 . 2]" 1
489 1 21 TRP H 1 72 ILE HB . . 3.940 3.625 3.446 3.780 . 0 0 "[ . 1 . 2]" 1
490 1 21 TRP H 1 72 ILE MD . . 4.450 4.096 3.980 4.234 . 0 0 "[ . 1 . 2]" 1
491 1 21 TRP H 1 72 ILE MG . . 4.940 4.670 4.497 4.831 . 0 0 "[ . 1 . 2]" 1
492 1 21 TRP H 1 73 HIS HA . . 4.420 3.784 3.595 3.903 . 0 0 "[ . 1 . 2]" 1
493 1 21 TRP H 1 74 TYR QD . . 4.910 3.783 3.587 3.984 . 0 0 "[ . 1 . 2]" 1
494 1 21 TRP HA 1 21 TRP HD1 . . 3.610 2.287 2.193 2.365 . 0 0 "[ . 1 . 2]" 1
495 1 21 TRP HA 1 21 TRP HE1 . . 5.130 4.792 4.706 4.860 . 0 0 "[ . 1 . 2]" 1
496 1 21 TRP HA 1 22 LYS H . . 2.920 2.370 2.273 2.426 . 0 0 "[ . 1 . 2]" 1
497 1 21 TRP HA 1 22 LYS HG3 . . 5.440 5.097 4.895 5.182 . 0 0 "[ . 1 . 2]" 1
498 1 21 TRP HA 1 72 ILE MD . . 5.500 4.663 4.533 4.812 . 0 0 "[ . 1 . 2]" 1
499 1 21 TRP HB2 1 72 ILE H . . 4.550 4.032 3.838 4.188 . 0 0 "[ . 1 . 2]" 1
500 1 21 TRP HB2 1 72 ILE HB . . 3.530 3.028 2.954 3.123 . 0 0 "[ . 1 . 2]" 1
501 1 21 TRP HB2 1 72 ILE MD . . 4.160 2.989 2.857 3.120 . 0 0 "[ . 1 . 2]" 1
502 1 21 TRP HB2 1 72 ILE MG . . 4.960 4.466 4.376 4.557 . 0 0 "[ . 1 . 2]" 1
503 1 21 TRP HB3 1 22 LYS H . . 3.370 2.550 2.353 2.716 . 0 0 "[ . 1 . 2]" 1
504 1 21 TRP HB3 1 72 ILE MD . . 4.720 3.594 3.427 3.781 . 0 0 "[ . 1 . 2]" 1
505 1 21 TRP HD1 1 22 LYS H . . 4.490 4.197 4.067 4.287 . 0 0 "[ . 1 . 2]" 1
506 1 21 TRP HD1 1 22 LYS HG2 . . 5.500 5.537 5.480 5.585 0.085 12 0 "[ . 1 . 2]" 1
507 1 21 TRP HE3 1 72 ILE HB . . 3.950 3.807 3.595 3.914 . 0 0 "[ . 1 . 2]" 1
508 1 21 TRP HE3 1 72 ILE MD . . 4.180 4.166 4.074 4.192 0.012 8 0 "[ . 1 . 2]" 1
509 1 21 TRP HH2 1 83 VAL MG1 . . 4.730 4.334 3.953 4.703 . 0 0 "[ . 1 . 2]" 1
510 1 21 TRP HZ2 1 74 TYR HB2 . . 5.490 5.512 5.371 5.555 0.065 14 0 "[ . 1 . 2]" 1
511 1 21 TRP HZ3 1 83 VAL MG1 . . 3.840 3.245 2.867 3.571 . 0 0 "[ . 1 . 2]" 1
512 1 22 LYS H 1 22 LYS HB3 . . 3.770 3.363 3.299 3.422 . 0 0 "[ . 1 . 2]" 1
513 1 22 LYS H 1 22 LYS HG2 . . 3.170 2.476 2.393 2.617 . 0 0 "[ . 1 . 2]" 1
514 1 22 LYS H 1 22 LYS HG3 . . 3.630 3.156 2.934 3.239 . 0 0 "[ . 1 . 2]" 1
515 1 22 LYS H 1 23 THR H . . 4.520 4.450 4.422 4.470 . 0 0 "[ . 1 . 2]" 1
516 1 22 LYS H 1 71 TYR HA . . 5.500 4.962 4.823 5.193 . 0 0 "[ . 1 . 2]" 1
517 1 22 LYS HA 1 23 THR H . . 2.860 2.232 2.142 2.302 . 0 0 "[ . 1 . 2]" 1
518 1 22 LYS HA 1 70 TRP H . . 5.500 4.799 4.605 5.070 . 0 0 "[ . 1 . 2]" 1
519 1 22 LYS HA 1 71 TYR HA . . 3.530 2.401 2.257 2.697 . 0 0 "[ . 1 . 2]" 1
520 1 22 LYS HA 1 71 TYR QD . . 4.310 3.228 2.892 3.593 . 0 0 "[ . 1 . 2]" 1
521 1 22 LYS HA 1 72 ILE H . . 3.830 3.284 3.149 3.417 . 0 0 "[ . 1 . 2]" 1
522 1 22 LYS HA 1 72 ILE MD . . 3.570 2.442 2.246 2.703 . 0 0 "[ . 1 . 2]" 1
523 1 22 LYS HB2 1 22 LYS QE . . 4.070 2.310 2.053 2.937 . 0 0 "[ . 1 . 2]" 1
524 1 22 LYS HB2 1 23 THR H . . 3.320 2.804 2.641 3.018 . 0 0 "[ . 1 . 2]" 1
525 1 22 LYS HB2 1 71 TYR QD . . 4.060 2.602 2.360 2.784 . 0 0 "[ . 1 . 2]" 1
526 1 22 LYS HB3 1 23 THR H . . 4.060 3.920 3.830 4.010 . 0 0 "[ . 1 . 2]" 1
527 1 22 LYS HB3 1 71 TYR QD . . 4.510 2.407 2.194 2.687 . 0 0 "[ . 1 . 2]" 1
528 1 22 LYS HB3 1 72 ILE H . . 4.580 4.407 4.139 4.626 0.046 16 0 "[ . 1 . 2]" 1
529 1 22 LYS HD2 1 71 TYR QD . . 4.350 3.861 3.641 4.064 . 0 0 "[ . 1 . 2]" 1
530 1 22 LYS HD2 1 71 TYR QE . . 4.700 3.933 2.881 4.427 . 0 0 "[ . 1 . 2]" 1
531 1 22 LYS QE 1 22 LYS HG3 . . 3.060 2.379 2.190 2.507 . 0 0 "[ . 1 . 2]" 1
532 1 22 LYS HE2 1 22 LYS HG3 . . 3.520 2.518 2.331 2.653 . 0 0 "[ . 1 . 2]" 1
533 1 22 LYS HE3 1 22 LYS HG3 . . 3.520 2.956 2.397 3.177 . 0 0 "[ . 1 . 2]" 1
534 1 23 THR H 1 23 THR HB . . 3.770 3.260 3.160 3.323 . 0 0 "[ . 1 . 2]" 1
535 1 23 THR H 1 23 THR MG . . 2.970 2.743 2.572 2.846 . 0 0 "[ . 1 . 2]" 1
536 1 23 THR H 1 25 GLN H . . 5.500 5.392 5.157 5.537 0.037 13 0 "[ . 1 . 2]" 1
537 1 23 THR H 1 69 TYR HB3 . . 4.740 3.584 3.314 3.980 . 0 0 "[ . 1 . 2]" 1
538 1 23 THR H 1 70 TRP H . . 3.560 3.028 2.843 3.261 . 0 0 "[ . 1 . 2]" 1
539 1 23 THR H 1 70 TRP HB2 . . 4.000 3.571 3.412 3.734 . 0 0 "[ . 1 . 2]" 1
540 1 23 THR H 1 70 TRP HB3 . . 5.240 4.741 4.536 4.902 . 0 0 "[ . 1 . 2]" 1
541 1 23 THR H 1 70 TRP HE3 . . 4.830 4.449 4.252 4.641 . 0 0 "[ . 1 . 2]" 1
542 1 23 THR H 1 71 TYR QD . . 4.060 4.036 3.886 4.097 0.037 13 0 "[ . 1 . 2]" 1
543 1 23 THR H 1 72 ILE MD . . 3.640 3.073 2.924 3.159 . 0 0 "[ . 1 . 2]" 1
544 1 23 THR H 1 72 ILE HG13 . . 5.370 5.342 5.145 5.398 0.028 3 0 "[ . 1 . 2]" 1
545 1 23 THR HA 1 24 ASP H . . 2.860 2.267 2.202 2.358 . 0 0 "[ . 1 . 2]" 1
546 1 23 THR HA 1 25 GLN H . . 4.300 3.979 3.755 4.234 . 0 0 "[ . 1 . 2]" 1
547 1 23 THR HA 1 25 GLN QE . . 3.860 3.743 3.328 3.904 0.044 13 0 "[ . 1 . 2]" 1
548 1 23 THR HA 1 70 TRP H . . 5.410 4.823 4.714 5.021 . 0 0 "[ . 1 . 2]" 1
549 1 23 THR HB 1 24 ASP H . . 3.920 3.912 3.803 3.975 0.055 9 0 "[ . 1 . 2]" 1
550 1 23 THR HB 1 25 GLN QE . . 4.850 4.659 4.051 4.963 0.113 20 0 "[ . 1 . 2]" 1
551 1 23 THR HB 1 72 ILE MD . . 4.300 3.188 2.968 3.315 . 0 0 "[ . 1 . 2]" 1
552 1 23 THR MG 1 24 ASP HA . . 4.410 3.842 3.596 4.045 . 0 0 "[ . 1 . 2]" 1
553 1 23 THR MG 1 24 ASP QB . . 5.060 4.820 4.644 4.959 . 0 0 "[ . 1 . 2]" 1
554 1 23 THR MG 1 25 GLN H . . 3.380 2.473 2.149 2.671 . 0 0 "[ . 1 . 2]" 1
555 1 23 THR MG 1 26 PHE H . . 3.890 3.121 2.919 3.466 . 0 0 "[ . 1 . 2]" 1
556 1 23 THR MG 1 26 PHE HA . . 4.940 4.316 4.078 4.591 . 0 0 "[ . 1 . 2]" 1
557 1 23 THR MG 1 26 PHE QD . . 3.260 2.695 2.430 3.247 . 0 0 "[ . 1 . 2]" 1
558 1 23 THR MG 1 26 PHE QE . . 3.140 2.384 2.126 3.020 . 0 0 "[ . 1 . 2]" 1
559 1 23 THR MG 1 62 ILE MD . . 5.500 5.541 5.507 5.578 0.078 17 0 "[ . 1 . 2]" 1
560 1 23 THR MG 1 70 TRP H . . 3.850 3.414 3.187 3.627 . 0 0 "[ . 1 . 2]" 1
561 1 23 THR MG 1 70 TRP HB2 . . 3.470 2.271 2.091 2.422 . 0 0 "[ . 1 . 2]" 1
562 1 23 THR MG 1 70 TRP HE3 . . 4.430 2.563 2.352 2.855 . 0 0 "[ . 1 . 2]" 1
563 1 24 ASP H 1 24 ASP HB2 . . 4.050 3.721 3.022 3.948 . 0 0 "[ . 1 . 2]" 1
564 1 24 ASP H 1 24 ASP QB . . 3.480 2.969 2.371 3.238 . 0 0 "[ . 1 . 2]" 1
565 1 24 ASP H 1 24 ASP HB3 . . 4.050 3.129 2.442 3.444 . 0 0 "[ . 1 . 2]" 1
566 1 24 ASP H 1 25 GLN H . . 2.980 2.258 2.178 2.462 . 0 0 "[ . 1 . 2]" 1
567 1 24 ASP H 1 25 GLN QB . . 4.690 3.647 3.346 4.407 . 0 0 "[ . 1 . 2]" 1
568 1 24 ASP H 1 25 GLN HE21 . . 4.450 2.708 2.406 3.062 . 0 0 "[ . 1 . 2]" 1
569 1 24 ASP H 1 25 GLN QE . . 3.660 2.673 2.369 3.012 . 0 0 "[ . 1 . 2]" 1
570 1 24 ASP H 1 25 GLN HE22 . . 4.450 4.138 3.542 4.520 0.070 12 0 "[ . 1 . 2]" 1
571 1 24 ASP H 1 25 GLN QG . . 3.480 3.040 2.517 3.388 . 0 0 "[ . 1 . 2]" 1
572 1 24 ASP H 1 26 PHE H . . 4.800 4.794 4.643 4.854 0.054 8 0 "[ . 1 . 2]" 1
573 1 24 ASP H 1 70 TRP HE3 . . 4.300 4.322 4.164 4.364 0.064 14 0 "[ . 1 . 2]" 1
574 1 24 ASP HA 1 26 PHE H . . 4.290 4.110 3.805 4.355 0.065 13 0 "[ . 1 . 2]" 1
575 1 24 ASP HA 1 69 TYR HA . . 3.540 2.986 2.433 3.365 . 0 0 "[ . 1 . 2]" 1
576 1 24 ASP HA 1 70 TRP H . . 3.990 3.601 3.377 3.773 . 0 0 "[ . 1 . 2]" 1
577 1 24 ASP HA 1 70 TRP HE3 . . 3.280 2.792 2.484 3.093 . 0 0 "[ . 1 . 2]" 1
578 1 24 ASP HA 1 70 TRP HH2 . . 5.500 4.864 4.495 5.361 . 0 0 "[ . 1 . 2]" 1
579 1 24 ASP QB 1 25 GLN QE . . 5.160 4.262 2.796 5.166 0.006 15 0 "[ . 1 . 2]" 1
580 1 24 ASP QB 1 69 TYR HA . . 4.880 3.608 3.034 4.051 . 0 0 "[ . 1 . 2]" 1
581 1 25 GLN H 1 25 GLN HB2 . . 4.070 2.782 2.241 3.880 . 0 0 "[ . 1 . 2]" 1
582 1 25 GLN H 1 25 GLN QB . . 3.470 2.470 2.219 2.946 . 0 0 "[ . 1 . 2]" 1
583 1 25 GLN H 1 25 GLN HB3 . . 4.070 3.394 2.794 3.683 . 0 0 "[ . 1 . 2]" 1
584 1 25 GLN H 1 25 GLN QE . . 4.080 3.562 3.046 3.995 . 0 0 "[ . 1 . 2]" 1
585 1 25 GLN H 1 25 GLN HG2 . . 4.140 3.417 2.053 4.207 0.067 1 0 "[ . 1 . 2]" 1
586 1 25 GLN H 1 25 GLN QG . . 3.580 2.559 2.039 2.970 . 0 0 "[ . 1 . 2]" 1
587 1 25 GLN H 1 25 GLN HG3 . . 4.140 3.098 2.542 3.766 . 0 0 "[ . 1 . 2]" 1
588 1 25 GLN H 1 26 PHE H . . 3.640 2.678 2.341 2.858 . 0 0 "[ . 1 . 2]" 1
589 1 25 GLN H 1 70 TRP HE3 . . 4.030 3.417 3.068 3.645 . 0 0 "[ . 1 . 2]" 1
590 1 25 GLN HA 1 25 GLN HG2 . . 3.700 3.105 2.678 3.701 0.001 7 0 "[ . 1 . 2]" 1
591 1 25 GLN HA 1 25 GLN HG3 . . 3.700 3.078 2.539 3.838 0.138 20 0 "[ . 1 . 2]" 1
592 1 25 GLN HA 1 70 TRP HH2 . . 5.500 5.515 5.255 5.613 0.113 2 0 "[ . 1 . 2]" 1
593 1 25 GLN QE 1 25 GLN QG . . 3.080 2.240 2.097 2.577 . 0 0 "[ . 1 . 2]" 1
594 1 25 GLN QG 1 26 PHE H . . 4.770 4.309 3.379 4.655 . 0 0 "[ . 1 . 2]" 1
595 1 26 PHE H 1 26 PHE HB2 . . 3.560 2.354 2.304 2.386 . 0 0 "[ . 1 . 2]" 1
596 1 26 PHE H 1 26 PHE QB . . 2.950 2.324 2.277 2.353 . 0 0 "[ . 1 . 2]" 1
597 1 26 PHE H 1 26 PHE HB3 . . 3.560 3.583 3.561 3.600 0.040 15 0 "[ . 1 . 2]" 1
598 1 26 PHE H 1 27 SER H . . 5.200 4.633 4.537 4.702 . 0 0 "[ . 1 . 2]" 1
599 1 26 PHE H 1 70 TRP H . . 5.500 5.528 5.445 5.587 0.087 18 0 "[ . 1 . 2]" 1
600 1 26 PHE H 1 70 TRP HE3 . . 3.900 2.986 2.830 3.133 . 0 0 "[ . 1 . 2]" 1
601 1 26 PHE H 1 70 TRP HH2 . . 5.290 4.066 3.812 4.499 . 0 0 "[ . 1 . 2]" 1
602 1 26 PHE H 1 70 TRP HZ2 . . 5.500 5.363 5.203 5.522 0.022 19 0 "[ . 1 . 2]" 1
603 1 26 PHE HA 1 26 PHE QD . . 3.420 2.200 2.034 2.322 . 0 0 "[ . 1 . 2]" 1
604 1 26 PHE HA 1 26 PHE QE . . 4.410 4.388 4.317 4.435 0.025 17 0 "[ . 1 . 2]" 1
605 1 26 PHE HA 1 27 SER H . . 2.770 2.103 1.983 2.180 . 0 0 "[ . 1 . 2]" 1
606 1 26 PHE QB 1 27 SER H . . 3.950 3.094 2.880 3.283 . 0 0 "[ . 1 . 2]" 1
607 1 26 PHE QB 1 70 TRP HE1 . . 4.910 4.160 3.997 4.555 . 0 0 "[ . 1 . 2]" 1
608 1 26 PHE QB 1 70 TRP HH2 . . 4.930 3.369 3.170 3.720 . 0 0 "[ . 1 . 2]" 1
609 1 26 PHE QB 1 70 TRP HZ2 . . 4.870 3.494 3.275 3.771 . 0 0 "[ . 1 . 2]" 1
610 1 26 PHE HB2 1 27 SER H . . 4.790 4.294 4.167 4.407 . 0 0 "[ . 1 . 2]" 1
611 1 26 PHE HB3 1 27 SER H . . 4.790 3.174 2.936 3.388 . 0 0 "[ . 1 . 2]" 1
612 1 26 PHE QD 1 27 SER H . . 4.440 4.005 3.611 4.205 . 0 0 "[ . 1 . 2]" 1
613 1 26 PHE QD 1 59 GLN HA . . 4.130 3.258 2.861 3.700 . 0 0 "[ . 1 . 2]" 1
614 1 26 PHE QD 1 59 GLN HB2 . . 4.700 4.716 4.612 4.782 0.082 17 0 "[ . 1 . 2]" 1
615 1 26 PHE QD 1 59 GLN QG . . 4.460 3.256 2.731 4.449 . 0 0 "[ . 1 . 2]" 1
616 1 26 PHE QD 1 62 ILE H . . 4.770 4.429 4.200 4.676 . 0 0 "[ . 1 . 2]" 1
617 1 26 PHE QD 1 62 ILE HB . . 4.190 2.732 2.472 3.082 . 0 0 "[ . 1 . 2]" 1
618 1 26 PHE QD 1 62 ILE MD . . 4.180 3.137 2.800 3.474 . 0 0 "[ . 1 . 2]" 1
619 1 26 PHE QD 1 70 TRP HB2 . . 4.810 4.147 3.922 4.334 . 0 0 "[ . 1 . 2]" 1
620 1 26 PHE QD 1 70 TRP HZ2 . . 5.500 4.333 4.092 4.598 . 0 0 "[ . 1 . 2]" 1
621 1 26 PHE QD 1 85 ILE MG . . 4.670 3.955 3.577 4.460 . 0 0 "[ . 1 . 2]" 1
622 1 26 PHE QE 1 47 ILE MD . . 3.360 3.257 2.963 3.395 0.035 3 0 "[ . 1 . 2]" 1
623 1 26 PHE QE 1 47 ILE MG . . 3.770 3.133 2.432 3.777 0.007 16 0 "[ . 1 . 2]" 1
624 1 26 PHE QE 1 57 VAL MG2 . . 5.450 5.339 5.214 5.454 0.004 5 0 "[ . 1 . 2]" 1
625 1 26 PHE QE 1 59 GLN HA . . 4.500 3.727 3.337 4.146 . 0 0 "[ . 1 . 2]" 1
626 1 26 PHE QE 1 62 ILE H . . 5.190 5.163 4.976 5.244 0.054 15 0 "[ . 1 . 2]" 1
627 1 26 PHE QE 1 62 ILE HB . . 4.230 2.956 2.639 3.360 . 0 0 "[ . 1 . 2]" 1
628 1 26 PHE QE 1 62 ILE MD . . 3.220 2.072 2.013 2.204 . 0 0 "[ . 1 . 2]" 1
629 1 26 PHE QE 1 62 ILE MG . . 3.830 2.415 2.151 3.090 . 0 0 "[ . 1 . 2]" 1
630 1 26 PHE QE 1 70 TRP HE1 . . 5.360 4.412 4.160 4.873 . 0 0 "[ . 1 . 2]" 1
631 1 26 PHE QE 1 85 ILE MG . . 3.240 2.487 2.176 3.080 . 0 0 "[ . 1 . 2]" 1
632 1 27 SER H 1 27 SER HB2 . . 3.770 2.587 2.050 3.668 . 0 0 "[ . 1 . 2]" 1
633 1 27 SER H 1 27 SER QB . . 2.950 2.319 2.027 2.589 . 0 0 "[ . 1 . 2]" 1
634 1 27 SER H 1 27 SER HB3 . . 3.770 2.884 2.346 3.654 . 0 0 "[ . 1 . 2]" 1
635 1 27 SER H 1 59 GLN H . . 5.500 5.458 5.277 5.558 0.058 9 0 "[ . 1 . 2]" 1
636 1 27 SER H 1 59 GLN HB2 . . 4.240 3.027 2.809 3.190 . 0 0 "[ . 1 . 2]" 1
637 1 27 SER H 1 59 GLN HB3 . . 3.570 2.537 2.389 2.701 . 0 0 "[ . 1 . 2]" 1
638 1 27 SER H 1 59 GLN QG . . 4.550 3.212 2.470 3.930 . 0 0 "[ . 1 . 2]" 1
639 1 27 SER H 1 60 HIS H . . 5.500 5.179 4.905 5.481 . 0 0 "[ . 1 . 2]" 1
640 1 27 SER HA 1 28 THR H . . 2.810 2.280 2.133 2.391 . 0 0 "[ . 1 . 2]" 1
641 1 27 SER HA 1 29 ASP H . . 4.390 4.016 3.541 4.394 0.004 5 0 "[ . 1 . 2]" 1
642 1 27 SER QB 1 28 THR H . . 4.380 3.172 2.417 3.822 . 0 0 "[ . 1 . 2]" 1
643 1 27 SER QB 1 28 THR MG . . 5.020 4.687 4.129 5.095 0.075 5 0 "[ . 1 . 2]" 1
644 1 27 SER QB 1 29 ASP H . . 4.510 3.524 2.703 4.402 . 0 0 "[ . 1 . 2]" 1
645 1 27 SER QB 1 35 ARG QB . . 3.770 2.475 2.015 3.390 . 0 0 "[ . 1 . 2]" 1
646 1 27 SER QB 1 59 GLN HB2 . . 5.030 2.623 2.179 3.847 . 0 0 "[ . 1 . 2]" 1
647 1 27 SER HB2 1 28 THR H . . 5.000 3.882 2.650 4.299 . 0 0 "[ . 1 . 2]" 1
648 1 27 SER HB3 1 28 THR H . . 5.000 3.498 2.443 4.282 . 0 0 "[ . 1 . 2]" 1
649 1 28 THR H 1 29 ASP H . . 3.020 2.179 1.901 2.537 . 0 0 "[ . 1 . 2]" 1
650 1 28 THR H 1 29 ASP QB . . 4.480 4.062 3.325 4.522 0.042 6 0 "[ . 1 . 2]" 1
651 1 28 THR H 1 60 HIS QB . . 5.340 4.203 3.882 4.790 . 0 0 "[ . 1 . 2]" 1
652 1 28 THR HA 1 28 THR MG . . 3.140 2.788 2.092 3.189 0.049 15 0 "[ . 1 . 2]" 1
653 1 28 THR HA 1 60 HIS HB2 . . 3.920 2.856 2.199 3.609 . 0 0 "[ . 1 . 2]" 1
654 1 28 THR HA 1 60 HIS QB . . 3.430 2.623 2.153 3.132 . 0 0 "[ . 1 . 2]" 1
655 1 28 THR HA 1 60 HIS HB3 . . 3.920 3.277 2.648 3.957 0.037 19 0 "[ . 1 . 2]" 1
656 1 28 THR HB 1 29 ASP H . . 5.250 4.394 3.843 4.586 . 0 0 "[ . 1 . 2]" 1
657 1 28 THR MG 1 60 HIS QB . . 4.600 4.417 3.041 4.636 0.036 18 0 "[ . 1 . 2]" 1
658 1 29 ASP H 1 29 ASP HB2 . . 3.730 2.621 2.283 3.676 . 0 0 "[ . 1 . 2]" 1
659 1 29 ASP H 1 29 ASP QB . . 3.030 2.426 2.119 2.974 . 0 0 "[ . 1 . 2]" 1
660 1 29 ASP H 1 29 ASP HB3 . . 3.730 3.317 2.236 3.674 . 0 0 "[ . 1 . 2]" 1
661 1 29 ASP H 1 32 ASP QB . . 4.700 3.608 3.184 4.726 0.026 19 0 "[ . 1 . 2]" 1
662 1 29 ASP H 1 60 HIS HB2 . . 4.300 4.013 2.929 4.312 0.012 7 0 "[ . 1 . 2]" 1
663 1 29 ASP H 1 60 HIS QB . . 3.620 3.331 2.801 3.683 0.063 14 0 "[ . 1 . 2]" 1
664 1 29 ASP H 1 60 HIS HB3 . . 4.300 3.671 2.969 4.360 0.060 8 0 "[ . 1 . 2]" 1
665 1 29 ASP QB 1 32 ASP H . . 3.840 2.877 2.509 3.518 . 0 0 "[ . 1 . 2]" 1
666 1 29 ASP QB 1 32 ASP QB . . 3.320 2.665 2.148 3.337 0.017 9 0 "[ . 1 . 2]" 1
667 1 30 PRO QB 1 31 ASN H . . 4.050 3.285 2.819 3.845 . 0 0 "[ . 1 . 2]" 1
668 1 31 ASN H 1 31 ASN HB2 . . 3.430 2.293 2.148 2.519 . 0 0 "[ . 1 . 2]" 1
669 1 31 ASN H 1 31 ASN QB . . 2.890 2.210 2.092 2.405 . 0 0 "[ . 1 . 2]" 1
670 1 31 ASN H 1 31 ASN HB3 . . 3.430 3.157 2.261 3.502 0.072 20 0 "[ . 1 . 2]" 1
671 1 31 ASN H 1 31 ASN QD . . 4.630 4.055 2.664 4.633 0.003 16 0 "[ . 1 . 2]" 1
672 1 31 ASN H 1 32 ASP H . . 3.080 2.490 2.240 2.816 . 0 0 "[ . 1 . 2]" 1
673 1 31 ASN HA 1 31 ASN HD21 . . 4.130 3.148 2.372 4.002 . 0 0 "[ . 1 . 2]" 1
674 1 31 ASN HA 1 31 ASN QD . . 3.630 2.994 2.338 3.643 0.013 18 0 "[ . 1 . 2]" 1
675 1 31 ASN HA 1 31 ASN HD22 . . 4.130 3.877 3.535 4.208 0.078 18 0 "[ . 1 . 2]" 1
676 1 31 ASN QB 1 31 ASN QD . . 2.820 2.272 2.119 2.559 . 0 0 "[ . 1 . 2]" 1
677 1 31 ASN HB2 1 32 ASP H . . 3.890 3.563 2.885 4.005 0.115 2 0 "[ . 1 . 2]" 1
678 1 31 ASN HB3 1 32 ASP H . . 3.890 3.599 2.766 3.989 0.099 12 0 "[ . 1 . 2]" 1
679 1 32 ASP H 1 32 ASP HB2 . . 3.660 2.503 2.354 2.993 . 0 0 "[ . 1 . 2]" 1
680 1 32 ASP H 1 32 ASP QB . . 3.050 2.332 2.172 2.438 . 0 0 "[ . 1 . 2]" 1
681 1 32 ASP H 1 32 ASP HB3 . . 3.660 3.258 2.318 3.655 . 0 0 "[ . 1 . 2]" 1
682 1 32 ASP HA 1 33 TRP H . . 3.570 2.420 1.987 2.704 . 0 0 "[ . 1 . 2]" 1
683 1 33 TRP HA 1 33 TRP HZ3 . . 5.180 5.064 4.755 5.195 0.015 5 0 "[ . 1 . 2]" 1
684 1 33 TRP QB 1 33 TRP HZ3 . . 5.210 4.977 4.898 5.096 . 0 0 "[ . 1 . 2]" 1
685 1 33 TRP HB2 1 34 SER H . . 4.620 3.702 3.052 4.473 . 0 0 "[ . 1 . 2]" 1
686 1 33 TRP HB3 1 34 SER H . . 4.620 3.745 3.097 4.256 . 0 0 "[ . 1 . 2]" 1
687 1 33 TRP HH2 1 58 ALA MB . . 5.470 4.749 3.396 5.488 0.018 3 0 "[ . 1 . 2]" 1
688 1 33 TRP HZ3 1 58 ALA MB . . 4.380 3.715 2.831 4.400 0.020 8 0 "[ . 1 . 2]" 1
689 1 34 SER H 1 34 SER HB2 . . 4.030 2.726 2.113 3.669 . 0 0 "[ . 1 . 2]" 1
690 1 34 SER H 1 34 SER QB . . 3.250 2.416 2.085 2.657 . 0 0 "[ . 1 . 2]" 1
691 1 34 SER H 1 34 SER HB3 . . 4.030 3.245 2.394 3.673 . 0 0 "[ . 1 . 2]" 1
692 1 35 ARG H 1 36 TYR HA . . 5.040 5.025 4.731 5.144 0.104 7 0 "[ . 1 . 2]" 1
693 1 35 ARG H 1 36 TYR HB3 . . 4.860 4.579 3.361 4.891 0.031 4 0 "[ . 1 . 2]" 1
694 1 35 ARG HA 1 36 TYR H . . 3.080 2.381 2.112 3.024 . 0 0 "[ . 1 . 2]" 1
695 1 35 ARG HA 1 59 GLN QE . . 4.290 3.311 2.837 4.201 . 0 0 "[ . 1 . 2]" 1
696 1 35 ARG HA 1 86 LYS HA . . 4.690 4.694 4.511 4.823 0.133 19 0 "[ . 1 . 2]" 1
697 1 35 ARG HA 1 86 LYS HB2 . . 3.170 2.291 2.145 2.704 . 0 0 "[ . 1 . 2]" 1
698 1 35 ARG HA 1 86 LYS HB3 . . 3.510 2.889 2.391 3.502 . 0 0 "[ . 1 . 2]" 1
699 1 35 ARG QB 1 36 TYR H . . 4.340 3.820 3.268 4.055 . 0 0 "[ . 1 . 2]" 1
700 1 35 ARG QB 1 59 GLN QE . . 4.770 3.181 2.415 4.330 . 0 0 "[ . 1 . 2]" 1
701 1 36 TYR H 1 36 TYR QD . . 3.930 2.514 2.076 3.130 . 0 0 "[ . 1 . 2]" 1
702 1 36 TYR H 1 36 TYR QE . . 5.010 4.319 4.018 5.017 0.007 19 0 "[ . 1 . 2]" 1
703 1 36 TYR H 1 37 VAL QG . . 5.350 4.420 3.632 4.829 . 0 0 "[ . 1 . 2]" 1
704 1 36 TYR H 1 58 ALA HA . . 5.400 5.124 4.760 5.437 0.037 13 0 "[ . 1 . 2]" 1
705 1 36 TYR H 1 59 GLN QE . . 4.270 3.580 2.389 4.299 0.029 19 0 "[ . 1 . 2]" 1
706 1 36 TYR H 1 86 LYS H . . 5.150 4.104 3.204 5.171 0.021 19 0 "[ . 1 . 2]" 1
707 1 36 TYR H 1 86 LYS HB2 . . 3.320 2.270 1.707 3.332 0.012 19 0 "[ . 1 . 2]" 1
708 1 36 TYR H 1 86 LYS HB3 . . 3.960 3.514 3.116 3.982 0.022 19 0 "[ . 1 . 2]" 1
709 1 36 TYR H 1 86 LYS HG2 . . 4.490 3.558 2.588 4.259 . 0 0 "[ . 1 . 2]" 1
710 1 36 TYR H 1 86 LYS HG3 . . 4.160 3.111 2.017 3.849 . 0 0 "[ . 1 . 2]" 1
711 1 36 TYR HB2 1 37 VAL H . . 3.090 2.510 2.088 3.052 . 0 0 "[ . 1 . 2]" 1
712 1 36 TYR HB2 1 56 TRP HE3 . . 4.270 3.921 3.444 4.292 0.022 17 0 "[ . 1 . 2]" 1
713 1 36 TYR HB2 1 58 ALA HA . . 3.910 3.599 2.731 3.952 0.042 11 0 "[ . 1 . 2]" 1
714 1 36 TYR QD 1 37 VAL H . . 3.970 3.003 2.605 3.456 . 0 0 "[ . 1 . 2]" 1
715 1 36 TYR QD 1 37 VAL QG . . 4.990 4.342 4.091 4.538 . 0 0 "[ . 1 . 2]" 1
716 1 36 TYR QD 1 38 ASN H . . 5.210 4.304 3.566 5.250 0.040 8 0 "[ . 1 . 2]" 1
717 1 36 TYR QD 1 38 ASN QB . . 4.110 2.887 2.345 3.676 . 0 0 "[ . 1 . 2]" 1
718 1 36 TYR QD 1 86 LYS H . . 5.500 4.979 4.410 5.524 0.024 1 0 "[ . 1 . 2]" 1
719 1 36 TYR QD 1 86 LYS HG3 . . 4.340 3.206 2.351 3.734 . 0 0 "[ . 1 . 2]" 1
720 1 36 TYR QE 1 38 ASN H . . 5.070 4.562 4.036 5.047 . 0 0 "[ . 1 . 2]" 1
721 1 36 TYR QE 1 38 ASN HB2 . . 3.860 2.949 2.245 3.593 . 0 0 "[ . 1 . 2]" 1
722 1 36 TYR QE 1 38 ASN HB3 . . 3.860 2.953 2.247 3.602 . 0 0 "[ . 1 . 2]" 1
723 1 36 TYR QE 1 86 LYS QD . . 5.340 3.745 3.010 4.553 . 0 0 "[ . 1 . 2]" 1
724 1 36 TYR QE 1 86 LYS HG2 . . 5.290 3.814 3.326 4.738 . 0 0 "[ . 1 . 2]" 1
725 1 36 TYR QE 1 86 LYS HG3 . . 4.640 3.141 2.689 4.396 . 0 0 "[ . 1 . 2]" 1
726 1 37 VAL H 1 37 VAL HB . . 3.810 2.679 2.389 2.802 . 0 0 "[ . 1 . 2]" 1
727 1 37 VAL H 1 37 VAL MG1 . . 3.850 3.807 3.430 3.909 0.059 15 0 "[ . 1 . 2]" 1
728 1 37 VAL H 1 37 VAL QG . . 3.330 2.827 2.629 3.154 . 0 0 "[ . 1 . 2]" 1
729 1 37 VAL H 1 37 VAL MG2 . . 3.850 2.961 2.675 3.570 . 0 0 "[ . 1 . 2]" 1
730 1 37 VAL H 1 56 TRP HA . . 5.300 4.677 4.263 4.997 . 0 0 "[ . 1 . 2]" 1
731 1 37 VAL H 1 58 ALA H . . 5.160 4.922 4.831 5.038 . 0 0 "[ . 1 . 2]" 1
732 1 37 VAL H 1 58 ALA HA . . 4.100 3.291 2.998 3.585 . 0 0 "[ . 1 . 2]" 1
733 1 37 VAL H 1 59 GLN H . . 4.540 4.196 4.034 4.436 . 0 0 "[ . 1 . 2]" 1
734 1 37 VAL H 1 62 ILE MD . . 5.380 5.359 5.183 5.411 0.031 19 0 "[ . 1 . 2]" 1
735 1 37 VAL HA 1 37 VAL MG1 . . 3.380 2.478 2.293 2.886 . 0 0 "[ . 1 . 2]" 1
736 1 37 VAL HA 1 37 VAL QG . . 2.930 2.184 2.141 2.214 . 0 0 "[ . 1 . 2]" 1
737 1 37 VAL HA 1 37 VAL MG2 . . 3.380 2.486 2.251 2.580 . 0 0 "[ . 1 . 2]" 1
738 1 37 VAL HA 1 38 ASN H . . 2.810 2.255 2.160 2.357 . 0 0 "[ . 1 . 2]" 1
739 1 37 VAL HA 1 85 ILE HA . . 3.560 2.715 2.452 3.293 . 0 0 "[ . 1 . 2]" 1
740 1 37 VAL HA 1 86 LYS H . . 4.080 3.140 2.891 3.639 . 0 0 "[ . 1 . 2]" 1
741 1 37 VAL HB 1 38 ASN H . . 4.320 4.125 3.987 4.369 0.049 9 0 "[ . 1 . 2]" 1
742 1 37 VAL HB 1 57 VAL H . . 4.530 3.376 3.032 3.927 . 0 0 "[ . 1 . 2]" 1
743 1 37 VAL HB 1 57 VAL MG1 . . 3.830 2.251 2.079 2.663 . 0 0 "[ . 1 . 2]" 1
744 1 37 VAL HB 1 62 ILE MD . . 4.070 3.775 3.536 4.015 . 0 0 "[ . 1 . 2]" 1
745 1 37 VAL QG 1 38 ASN H . . 3.340 2.593 2.466 2.796 . 0 0 "[ . 1 . 2]" 1
746 1 37 VAL QG 1 38 ASN HA . . 5.230 3.716 3.368 3.996 . 0 0 "[ . 1 . 2]" 1
747 1 37 VAL QG 1 57 VAL H . . 4.090 3.714 2.962 3.995 . 0 0 "[ . 1 . 2]" 1
748 1 37 VAL QG 1 58 ALA H . . 5.440 5.100 4.901 5.567 0.127 9 0 "[ . 1 . 2]" 1
749 1 37 VAL QG 1 58 ALA HA . . 5.320 3.753 3.339 4.719 . 0 0 "[ . 1 . 2]" 1
750 1 37 VAL QG 1 59 GLN H . . 4.170 3.027 2.670 4.200 0.030 1 0 "[ . 1 . 2]" 1
751 1 37 VAL QG 1 59 GLN HA . . 5.440 3.603 3.247 4.387 . 0 0 "[ . 1 . 2]" 1
752 1 37 VAL QG 1 59 GLN QE . . 3.570 2.278 2.075 2.480 . 0 0 "[ . 1 . 2]" 1
753 1 37 VAL QG 1 83 VAL MG2 . . 5.440 3.597 3.358 3.768 . 0 0 "[ . 1 . 2]" 1
754 1 37 VAL QG 1 85 ILE HA . . 4.150 2.012 1.895 2.102 . 0 0 "[ . 1 . 2]" 1
755 1 37 VAL QG 1 86 LYS H . . 4.350 2.523 2.118 2.744 . 0 0 "[ . 1 . 2]" 1
756 1 37 VAL QG 1 86 LYS HA . . 4.730 4.800 4.505 4.993 0.263 4 0 "[ . 1 . 2]" 1
757 1 37 VAL MG1 1 38 ASN H . . 4.200 2.632 2.483 2.849 . 0 0 "[ . 1 . 2]" 1
758 1 37 VAL MG1 1 59 GLN H . . 5.280 5.375 5.325 5.404 0.124 11 0 "[ . 1 . 2]" 1
759 1 37 VAL MG2 1 38 ASN H . . 4.200 4.064 3.394 4.226 0.026 15 0 "[ . 1 . 2]" 1
760 1 37 VAL MG2 1 59 GLN H . . 5.280 3.067 2.677 4.397 . 0 0 "[ . 1 . 2]" 1
761 1 38 ASN H 1 38 ASN HB2 . . 3.890 3.408 3.024 3.789 . 0 0 "[ . 1 . 2]" 1
762 1 38 ASN H 1 38 ASN QB . . 3.400 2.673 2.476 2.810 . 0 0 "[ . 1 . 2]" 1
763 1 38 ASN H 1 38 ASN HB3 . . 3.890 2.807 2.543 3.058 . 0 0 "[ . 1 . 2]" 1
764 1 38 ASN H 1 39 SER H . . 4.460 4.429 4.381 4.485 0.025 16 0 "[ . 1 . 2]" 1
765 1 38 ASN H 1 56 TRP HA . . 5.480 4.964 4.608 5.266 . 0 0 "[ . 1 . 2]" 1
766 1 38 ASN H 1 83 VAL MG2 . . 4.330 3.769 3.578 3.922 . 0 0 "[ . 1 . 2]" 1
767 1 38 ASN H 1 85 ILE HA . . 4.710 3.925 3.606 4.387 . 0 0 "[ . 1 . 2]" 1
768 1 38 ASN H 1 85 ILE HG13 . . 5.290 4.302 4.032 4.784 . 0 0 "[ . 1 . 2]" 1
769 1 38 ASN HA 1 39 SER H . . 3.080 2.202 2.083 2.444 . 0 0 "[ . 1 . 2]" 1
770 1 38 ASN HA 1 56 TRP H . . 5.200 5.004 4.470 5.276 0.076 10 0 "[ . 1 . 2]" 1
771 1 38 ASN HA 1 56 TRP HA . . 3.500 2.492 2.095 2.890 . 0 0 "[ . 1 . 2]" 1
772 1 38 ASN HA 1 56 TRP HB3 . . 4.190 3.822 2.936 4.240 0.050 20 0 "[ . 1 . 2]" 1
773 1 38 ASN HA 1 57 VAL H . . 4.670 3.704 3.479 4.026 . 0 0 "[ . 1 . 2]" 1
774 1 38 ASN HB2 1 39 SER H . . 4.380 3.922 3.391 4.185 . 0 0 "[ . 1 . 2]" 1
775 1 38 ASN HB3 1 39 SER H . . 4.380 4.057 3.531 4.317 . 0 0 "[ . 1 . 2]" 1
776 1 38 ASN QD 1 39 SER H . . 3.270 2.825 2.119 3.305 0.035 8 0 "[ . 1 . 2]" 1
777 1 38 ASN QD 1 56 TRP HA . . 4.220 3.261 2.161 4.343 0.123 8 0 "[ . 1 . 2]" 1
778 1 38 ASN HD21 1 39 SER H . . 4.020 3.063 2.183 3.886 . 0 0 "[ . 1 . 2]" 1
779 1 38 ASN HD22 1 39 SER H . . 4.020 3.428 2.566 4.018 . 0 0 "[ . 1 . 2]" 1
780 1 39 SER H 1 39 SER QB . . 3.600 3.056 2.725 3.370 . 0 0 "[ . 1 . 2]" 1
781 1 39 SER H 1 40 TRP H . . 4.530 4.326 4.266 4.391 . 0 0 "[ . 1 . 2]" 1
782 1 39 SER H 1 40 TRP HD1 . . 4.620 4.602 4.345 4.702 0.082 9 0 "[ . 1 . 2]" 1
783 1 39 SER H 1 45 LEU MD2 . . 4.990 4.428 4.111 4.952 . 0 0 "[ . 1 . 2]" 1
784 1 39 SER H 1 83 VAL MG2 . . 5.090 4.458 4.260 4.716 . 0 0 "[ . 1 . 2]" 1
785 1 39 SER HA 1 83 VAL MG2 . . 3.680 2.909 2.708 3.225 . 0 0 "[ . 1 . 2]" 1
786 1 39 SER QB 1 40 TRP H . . 3.070 2.690 2.315 3.106 0.036 6 0 "[ . 1 . 2]" 1
787 1 39 SER QB 1 41 ASN H . . 4.860 4.446 3.949 4.889 0.029 13 0 "[ . 1 . 2]" 1
788 1 39 SER QB 1 42 LEU MD1 . . 2.860 2.297 2.090 2.614 . 0 0 "[ . 1 . 2]" 1
789 1 39 SER QB 1 42 LEU HG . . 3.470 2.905 2.464 3.508 0.038 8 0 "[ . 1 . 2]" 1
790 1 39 SER QB 1 83 VAL HB . . 4.840 3.872 3.689 4.242 . 0 0 "[ . 1 . 2]" 1
791 1 39 SER QB 1 83 VAL MG2 . . 3.180 2.112 1.978 2.348 . 0 0 "[ . 1 . 2]" 1
792 1 39 SER QB 1 84 GLU H . . 4.800 4.403 4.105 4.813 0.013 19 0 "[ . 1 . 2]" 1
793 1 39 SER HB2 1 42 LEU MD1 . . 3.390 2.425 2.201 3.022 . 0 0 "[ . 1 . 2]" 1
794 1 39 SER HB2 1 42 LEU HG . . 4.140 3.004 2.492 3.987 . 0 0 "[ . 1 . 2]" 1
795 1 39 SER HB2 1 83 VAL MG2 . . 3.760 2.581 1.990 3.593 . 0 0 "[ . 1 . 2]" 1
796 1 39 SER HB3 1 42 LEU MD1 . . 3.390 2.933 2.494 3.398 0.008 11 0 "[ . 1 . 2]" 1
797 1 39 SER HB3 1 42 LEU HG . . 4.140 4.090 3.804 4.285 0.145 6 0 "[ . 1 . 2]" 1
798 1 39 SER HB3 1 83 VAL MG2 . . 3.760 2.748 2.102 3.599 . 0 0 "[ . 1 . 2]" 1
799 1 40 TRP H 1 40 TRP HD1 . . 4.740 3.249 2.906 3.539 . 0 0 "[ . 1 . 2]" 1
800 1 40 TRP H 1 40 TRP HE1 . . 5.090 4.826 4.510 5.115 0.025 16 0 "[ . 1 . 2]" 1
801 1 40 TRP H 1 41 ASN H . . 4.740 2.088 1.791 2.221 . 0 0 "[ . 1 . 2]" 1
802 1 40 TRP H 1 42 LEU H . . 4.260 2.805 2.621 2.944 . 0 0 "[ . 1 . 2]" 1
803 1 40 TRP H 1 42 LEU HB2 . . 4.150 4.083 3.940 4.185 0.035 18 0 "[ . 1 . 2]" 1
804 1 40 TRP H 1 42 LEU MD1 . . 4.180 4.205 4.159 4.238 0.058 6 0 "[ . 1 . 2]" 1
805 1 40 TRP H 1 42 LEU MD2 . . 4.800 4.799 4.599 4.875 0.075 8 0 "[ . 1 . 2]" 1
806 1 40 TRP H 1 42 LEU HG . . 3.590 3.406 3.216 3.529 . 0 0 "[ . 1 . 2]" 1
807 1 40 TRP H 1 83 VAL HB . . 5.500 5.541 5.442 5.606 0.106 17 0 "[ . 1 . 2]" 1
808 1 40 TRP H 1 83 VAL MG2 . . 5.310 4.376 4.233 4.537 . 0 0 "[ . 1 . 2]" 1
809 1 40 TRP HA 1 41 ASN HA . . 4.970 4.788 4.692 4.976 0.006 7 0 "[ . 1 . 2]" 1
810 1 40 TRP HA 1 42 LEU HB2 . . 5.210 5.217 4.817 5.334 0.124 2 0 "[ . 1 . 2]" 1
811 1 40 TRP HB2 1 41 ASN H . . 3.920 3.669 3.540 3.851 . 0 0 "[ . 1 . 2]" 1
812 1 40 TRP HB2 1 41 ASN HA . . 4.530 4.515 4.265 4.602 0.072 7 0 "[ . 1 . 2]" 1
813 1 40 TRP HB3 1 41 ASN H . . 4.110 3.946 3.840 4.092 . 0 0 "[ . 1 . 2]" 1
814 1 40 TRP HE1 1 41 ASN HB3 . . 4.760 4.661 4.135 4.810 0.050 8 0 "[ . 1 . 2]" 1
815 1 40 TRP HE1 1 82 HIS H . . 5.500 4.863 4.028 5.400 . 0 0 "[ . 1 . 2]" 1
816 1 40 TRP HE1 1 82 HIS HB2 . . 5.500 4.837 3.675 5.603 0.103 3 0 "[ . 1 . 2]" 1
817 1 40 TRP HE1 1 82 HIS QB . . 4.680 4.113 3.459 4.736 0.056 2 0 "[ . 1 . 2]" 1
818 1 40 TRP HE1 1 82 HIS HB3 . . 5.500 4.844 3.522 5.552 0.052 19 0 "[ . 1 . 2]" 1
819 1 40 TRP HZ2 1 41 ASN HB3 . . 4.520 3.810 3.414 4.040 . 0 0 "[ . 1 . 2]" 1
820 1 41 ASN H 1 41 ASN HA . . 2.900 2.876 2.780 2.918 0.018 18 0 "[ . 1 . 2]" 1
821 1 41 ASN H 1 41 ASN HB2 . . 4.100 3.544 3.428 3.605 . 0 0 "[ . 1 . 2]" 1
822 1 41 ASN H 1 41 ASN HD21 . . 4.710 3.345 2.951 4.284 . 0 0 "[ . 1 . 2]" 1
823 1 41 ASN H 1 41 ASN QD . . 4.090 3.014 2.721 3.718 . 0 0 "[ . 1 . 2]" 1
824 1 41 ASN H 1 41 ASN HD22 . . 4.710 3.435 3.155 4.080 . 0 0 "[ . 1 . 2]" 1
825 1 41 ASN H 1 42 LEU H . . 3.430 2.696 2.566 2.783 . 0 0 "[ . 1 . 2]" 1
826 1 41 ASN H 1 42 LEU HB2 . . 4.900 4.915 4.752 4.967 0.067 12 0 "[ . 1 . 2]" 1
827 1 41 ASN H 1 42 LEU HG . . 4.880 4.055 3.836 4.208 . 0 0 "[ . 1 . 2]" 1
828 1 41 ASN H 1 81 GLY HA2 . . 5.500 4.949 4.658 5.186 . 0 0 "[ . 1 . 2]" 1
829 1 41 ASN HA 1 78 VAL MG2 . . 4.450 3.562 2.893 3.872 . 0 0 "[ . 1 . 2]" 1
830 1 41 ASN HB2 1 41 ASN HD21 . . 3.570 2.565 2.254 2.699 . 0 0 "[ . 1 . 2]" 1
831 1 41 ASN HB2 1 41 ASN QD . . 3.080 2.513 2.229 2.633 . 0 0 "[ . 1 . 2]" 1
832 1 41 ASN HB2 1 41 ASN HD22 . . 3.570 3.619 3.517 3.664 0.094 13 0 "[ . 1 . 2]" 1
833 1 41 ASN HB2 1 42 LEU H . . 4.340 3.782 3.421 3.957 . 0 0 "[ . 1 . 2]" 1
834 1 41 ASN HB2 1 42 LEU HA . . 4.440 4.346 4.107 4.474 0.034 19 0 "[ . 1 . 2]" 1
835 1 41 ASN HB2 1 78 VAL MG2 . . 4.180 2.124 1.996 2.394 . 0 0 "[ . 1 . 2]" 1
836 1 41 ASN HB2 1 81 GLY H . . 4.850 4.370 4.296 4.488 . 0 0 "[ . 1 . 2]" 1
837 1 41 ASN HB2 1 81 GLY HA2 . . 3.590 2.466 2.163 2.696 . 0 0 "[ . 1 . 2]" 1
838 1 41 ASN HB2 1 81 GLY HA3 . . 3.950 3.296 3.047 3.510 . 0 0 "[ . 1 . 2]" 1
839 1 41 ASN HB2 1 82 HIS H . . 4.100 3.972 3.581 4.113 0.013 3 0 "[ . 1 . 2]" 1
840 1 41 ASN HB3 1 78 VAL MG2 . . 3.610 3.182 2.952 3.602 . 0 0 "[ . 1 . 2]" 1
841 1 41 ASN HB3 1 81 GLY H . . 5.500 5.567 5.519 5.599 0.099 18 0 "[ . 1 . 2]" 1
842 1 41 ASN HB3 1 81 GLY HA2 . . 4.080 3.379 3.076 3.528 . 0 0 "[ . 1 . 2]" 1
843 1 41 ASN HB3 1 82 HIS H . . 4.340 4.110 3.804 4.286 . 0 0 "[ . 1 . 2]" 1
844 1 41 ASN QD 1 42 LEU H . . 3.090 2.256 1.984 2.995 . 0 0 "[ . 1 . 2]" 1
845 1 41 ASN QD 1 42 LEU HA . . 4.410 2.924 2.689 3.654 . 0 0 "[ . 1 . 2]" 1
846 1 41 ASN QD 1 42 LEU HB3 . . 4.470 4.231 4.109 4.542 0.072 7 0 "[ . 1 . 2]" 1
847 1 41 ASN QD 1 81 GLY HA2 . . 3.790 2.703 2.281 2.942 . 0 0 "[ . 1 . 2]" 1
848 1 41 ASN QD 1 81 GLY HA3 . . 3.880 2.835 2.122 3.204 . 0 0 "[ . 1 . 2]" 1
849 1 41 ASN HD21 1 42 LEU H . . 3.800 2.320 2.002 3.369 . 0 0 "[ . 1 . 2]" 1
850 1 41 ASN HD21 1 42 LEU HB3 . . 5.300 4.453 4.276 5.136 . 0 0 "[ . 1 . 2]" 1
851 1 41 ASN HD22 1 42 LEU H . . 3.800 3.241 3.117 3.451 . 0 0 "[ . 1 . 2]" 1
852 1 41 ASN HD22 1 42 LEU HB3 . . 5.300 5.323 5.063 5.389 0.089 15 0 "[ . 1 . 2]" 1
853 1 42 LEU H 1 42 LEU HB2 . . 3.590 2.449 2.350 2.537 . 0 0 "[ . 1 . 2]" 1
854 1 42 LEU H 1 42 LEU HB3 . . 3.840 3.547 3.507 3.579 . 0 0 "[ . 1 . 2]" 1
855 1 42 LEU H 1 42 LEU MD1 . . 3.800 3.656 3.560 3.721 . 0 0 "[ . 1 . 2]" 1
856 1 42 LEU H 1 42 LEU MD2 . . 3.710 3.141 3.031 3.328 . 0 0 "[ . 1 . 2]" 1
857 1 42 LEU H 1 42 LEU HG . . 2.830 2.248 2.112 2.391 . 0 0 "[ . 1 . 2]" 1
858 1 42 LEU H 1 43 ASP H . . 4.840 4.674 4.612 4.711 . 0 0 "[ . 1 . 2]" 1
859 1 42 LEU H 1 81 GLY HA3 . . 5.170 5.215 5.179 5.267 0.097 2 0 "[ . 1 . 2]" 1
860 1 42 LEU H 1 83 VAL MG2 . . 5.090 5.135 5.079 5.188 0.098 8 0 "[ . 1 . 2]" 1
861 1 42 LEU HA 1 42 LEU MD1 . . 4.030 3.845 3.807 3.902 . 0 0 "[ . 1 . 2]" 1
862 1 42 LEU HA 1 42 LEU MD2 . . 3.080 2.205 2.108 2.265 . 0 0 "[ . 1 . 2]" 1
863 1 42 LEU HA 1 43 ASP H . . 2.930 2.230 2.127 2.296 . 0 0 "[ . 1 . 2]" 1
864 1 42 LEU HA 1 44 LEU H . . 4.230 4.055 3.918 4.178 . 0 0 "[ . 1 . 2]" 1
865 1 42 LEU HA 1 75 LYS H . . 5.340 5.021 4.736 5.341 0.001 18 0 "[ . 1 . 2]" 1
866 1 42 LEU HA 1 81 GLY HA3 . . 5.190 4.459 4.186 4.724 . 0 0 "[ . 1 . 2]" 1
867 1 42 LEU HB2 1 43 ASP H . . 4.380 4.071 3.895 4.199 . 0 0 "[ . 1 . 2]" 1
868 1 42 LEU HB2 1 44 LEU H . . 4.240 4.030 3.626 4.252 0.012 14 0 "[ . 1 . 2]" 1
869 1 42 LEU HB3 1 42 LEU MD1 . . 3.230 2.269 2.212 2.339 . 0 0 "[ . 1 . 2]" 1
870 1 42 LEU HB3 1 43 ASP H . . 4.290 3.034 2.855 3.141 . 0 0 "[ . 1 . 2]" 1
871 1 42 LEU HB3 1 43 ASP HA . . 5.060 5.037 4.923 5.089 0.029 14 0 "[ . 1 . 2]" 1
872 1 42 LEU HB3 1 43 ASP HB2 . . 5.280 5.286 5.135 5.339 0.059 1 0 "[ . 1 . 2]" 1
873 1 42 LEU HB3 1 44 LEU H . . 3.290 2.968 2.737 3.126 . 0 0 "[ . 1 . 2]" 1
874 1 42 LEU HB3 1 83 VAL MG2 . . 5.470 5.133 5.039 5.258 . 0 0 "[ . 1 . 2]" 1
875 1 42 LEU MD1 1 43 ASP H . . 4.950 4.773 4.638 4.897 . 0 0 "[ . 1 . 2]" 1
876 1 42 LEU MD1 1 44 LEU H . . 4.520 4.482 4.223 4.563 0.043 11 0 "[ . 1 . 2]" 1
877 1 42 LEU MD1 1 45 LEU HA . . 4.240 3.974 3.782 4.160 . 0 0 "[ . 1 . 2]" 1
878 1 42 LEU MD1 1 45 LEU HB2 . . 3.090 2.505 2.270 2.895 . 0 0 "[ . 1 . 2]" 1
879 1 42 LEU MD1 1 53 THR HA . . 4.740 4.261 3.634 4.763 0.023 7 0 "[ . 1 . 2]" 1
880 1 42 LEU MD1 1 74 TYR HA . . 4.340 3.533 3.091 3.823 . 0 0 "[ . 1 . 2]" 1
881 1 42 LEU MD1 1 75 LYS H . . 4.370 3.688 3.286 3.914 . 0 0 "[ . 1 . 2]" 1
882 1 42 LEU MD1 1 83 VAL HA . . 4.720 4.081 3.987 4.225 . 0 0 "[ . 1 . 2]" 1
883 1 42 LEU MD1 1 83 VAL HB . . 3.510 2.208 2.125 2.452 . 0 0 "[ . 1 . 2]" 1
884 1 42 LEU MD1 1 84 GLU H . . 4.960 5.004 4.976 5.039 0.079 19 0 "[ . 1 . 2]" 1
885 1 42 LEU MD2 1 43 ASP H . . 3.810 3.698 3.491 3.818 0.008 9 0 "[ . 1 . 2]" 1
886 1 42 LEU MD2 1 44 LEU H . . 4.630 4.599 4.363 4.662 0.032 16 0 "[ . 1 . 2]" 1
887 1 42 LEU MD2 1 45 LEU MD1 . . 4.130 4.102 4.000 4.161 0.031 3 0 "[ . 1 . 2]" 1
888 1 42 LEU MD2 1 75 LYS H . . 4.310 3.833 3.497 4.113 . 0 0 "[ . 1 . 2]" 1
889 1 42 LEU MD2 1 81 GLY HA2 . . 3.940 3.910 3.435 4.025 0.085 3 0 "[ . 1 . 2]" 1
890 1 42 LEU MD2 1 81 GLY HA3 . . 3.580 3.080 2.791 3.262 . 0 0 "[ . 1 . 2]" 1
891 1 42 LEU MD2 1 83 VAL HB . . 4.440 2.761 2.599 3.005 . 0 0 "[ . 1 . 2]" 1
892 1 42 LEU MD2 1 83 VAL MG1 . . 4.430 3.608 3.456 3.764 . 0 0 "[ . 1 . 2]" 1
893 1 42 LEU HG 1 83 VAL HB . . 3.370 3.407 3.386 3.446 0.076 7 0 "[ . 1 . 2]" 1
894 1 42 LEU HG 1 83 VAL MG1 . . 4.790 4.786 4.721 4.819 0.029 20 0 "[ . 1 . 2]" 1
895 1 43 ASP H 1 43 ASP HB2 . . 3.730 2.310 2.180 2.474 . 0 0 "[ . 1 . 2]" 1
896 1 43 ASP H 1 43 ASP HB3 . . 3.210 2.613 2.433 2.771 . 0 0 "[ . 1 . 2]" 1
897 1 43 ASP H 1 44 LEU H . . 2.850 2.555 2.432 2.752 . 0 0 "[ . 1 . 2]" 1
898 1 43 ASP H 1 75 LYS H . . 4.580 4.263 3.993 4.599 0.019 18 0 "[ . 1 . 2]" 1
899 1 43 ASP H 1 75 LYS HB3 . . 4.640 3.713 3.428 4.152 . 0 0 "[ . 1 . 2]" 1
900 1 43 ASP H 1 77 GLY H . . 4.450 4.392 3.569 4.486 0.036 18 0 "[ . 1 . 2]" 1
901 1 43 ASP HB2 1 44 LEU H . . 3.740 3.732 3.606 3.829 0.089 20 0 "[ . 1 . 2]" 1
902 1 43 ASP HB2 1 75 LYS HB2 . . 5.500 5.556 5.509 5.594 0.094 3 0 "[ . 1 . 2]" 1
903 1 43 ASP HB2 1 75 LYS HB3 . . 3.950 3.843 3.797 3.904 . 0 0 "[ . 1 . 2]" 1
904 1 43 ASP HB3 1 44 LEU H . . 3.300 2.657 2.431 2.793 . 0 0 "[ . 1 . 2]" 1
905 1 43 ASP HB3 1 44 LEU HB2 . . 4.520 3.920 3.753 4.183 . 0 0 "[ . 1 . 2]" 1
906 1 43 ASP HB3 1 75 LYS H . . 5.500 4.534 4.123 4.783 . 0 0 "[ . 1 . 2]" 1
907 1 43 ASP HB3 1 75 LYS HB2 . . 4.220 3.953 3.844 4.059 . 0 0 "[ . 1 . 2]" 1
908 1 43 ASP HB3 1 75 LYS HB3 . . 3.780 2.282 2.146 2.448 . 0 0 "[ . 1 . 2]" 1
909 1 43 ASP HB3 1 75 LYS QD . . 4.420 2.989 2.313 3.623 . 0 0 "[ . 1 . 2]" 1
910 1 43 ASP HB3 1 75 LYS QE . . 5.320 4.459 3.554 5.340 0.020 17 0 "[ . 1 . 2]" 1
911 1 43 ASP HB3 1 76 SER H . . 4.790 4.626 4.128 4.857 0.067 3 0 "[ . 1 . 2]" 1
912 1 43 ASP HB3 1 77 GLY H . . 5.270 5.187 4.887 5.311 0.041 9 0 "[ . 1 . 2]" 1
913 1 44 LEU H 1 44 LEU HB3 . . 3.210 2.875 2.721 3.014 . 0 0 "[ . 1 . 2]" 1
914 1 44 LEU H 1 44 LEU MD1 . . 4.330 4.105 4.015 4.220 . 0 0 "[ . 1 . 2]" 1
915 1 44 LEU H 1 44 LEU MD2 . . 4.430 4.429 4.379 4.457 0.027 15 0 "[ . 1 . 2]" 1
916 1 44 LEU H 1 45 LEU H . . 4.260 4.130 3.991 4.230 . 0 0 "[ . 1 . 2]" 1
917 1 44 LEU H 1 45 LEU HB2 . . 4.590 4.536 4.334 4.670 0.080 7 0 "[ . 1 . 2]" 1
918 1 44 LEU H 1 53 THR MG . . 4.980 4.181 3.975 4.615 . 0 0 "[ . 1 . 2]" 1
919 1 44 LEU H 1 75 LYS H . . 3.500 3.170 3.005 3.341 . 0 0 "[ . 1 . 2]" 1
920 1 44 LEU H 1 75 LYS HA . . 5.310 5.058 4.842 5.321 0.011 18 0 "[ . 1 . 2]" 1
921 1 44 LEU H 1 75 LYS HB2 . . 3.740 3.722 3.553 3.775 0.035 4 0 "[ . 1 . 2]" 1
922 1 44 LEU H 1 75 LYS HB3 . . 3.400 2.557 2.293 2.995 . 0 0 "[ . 1 . 2]" 1
923 1 44 LEU HA 1 44 LEU MD2 . . 3.160 2.322 2.217 2.386 . 0 0 "[ . 1 . 2]" 1
924 1 44 LEU HA 1 44 LEU HG . . 4.270 3.812 3.759 3.845 . 0 0 "[ . 1 . 2]" 1
925 1 44 LEU HA 1 45 LEU H . . 2.800 2.150 2.093 2.203 . 0 0 "[ . 1 . 2]" 1
926 1 44 LEU HA 1 53 THR HB . . 3.920 2.997 2.761 3.344 . 0 0 "[ . 1 . 2]" 1
927 1 44 LEU HA 1 53 THR MG . . 3.250 2.382 2.166 2.740 . 0 0 "[ . 1 . 2]" 1
928 1 44 LEU HB2 1 44 LEU MD1 . . 3.400 3.232 3.209 3.257 . 0 0 "[ . 1 . 2]" 1
929 1 44 LEU HB2 1 44 LEU MD2 . . 3.620 2.488 2.441 2.529 . 0 0 "[ . 1 . 2]" 1
930 1 44 LEU HB2 1 45 LEU H . . 4.310 4.176 4.074 4.262 . 0 0 "[ . 1 . 2]" 1
931 1 44 LEU HB2 1 75 LYS HB2 . . 3.920 3.933 3.815 3.967 0.047 19 0 "[ . 1 . 2]" 1
932 1 44 LEU HB3 1 44 LEU MD1 . . 2.940 2.312 2.268 2.372 . 0 0 "[ . 1 . 2]" 1
933 1 44 LEU HB3 1 45 LEU H . . 4.850 4.268 4.175 4.363 . 0 0 "[ . 1 . 2]" 1
934 1 44 LEU HB3 1 75 LYS H . . 5.170 3.930 3.783 4.031 . 0 0 "[ . 1 . 2]" 1
935 1 44 LEU HB3 1 75 LYS HB2 . . 2.920 2.247 2.169 2.299 . 0 0 "[ . 1 . 2]" 1
936 1 44 LEU HB3 1 75 LYS QD . . 4.260 2.417 2.197 2.674 . 0 0 "[ . 1 . 2]" 1
937 1 44 LEU MD1 1 45 LEU H . . 4.360 3.058 2.914 3.241 . 0 0 "[ . 1 . 2]" 1
938 1 44 LEU MD1 1 45 LEU MD1 . . 4.440 4.428 4.253 4.461 0.021 5 0 "[ . 1 . 2]" 1
939 1 44 LEU MD1 1 46 GLU H . . 4.320 3.213 2.864 3.433 . 0 0 "[ . 1 . 2]" 1
940 1 44 LEU MD1 1 46 GLU HB2 . . 3.770 3.442 2.936 3.705 . 0 0 "[ . 1 . 2]" 1
941 1 44 LEU MD1 1 75 LYS H . . 4.570 3.827 3.691 4.011 . 0 0 "[ . 1 . 2]" 1
942 1 44 LEU MD1 1 75 LYS HB2 . . 4.460 2.496 2.263 3.017 . 0 0 "[ . 1 . 2]" 1
943 1 44 LEU MD1 1 75 LYS HD2 . . 4.450 3.221 2.486 3.976 . 0 0 "[ . 1 . 2]" 1
944 1 44 LEU MD1 1 75 LYS QD . . 3.890 3.087 2.455 3.715 . 0 0 "[ . 1 . 2]" 1
945 1 44 LEU MD1 1 75 LYS HD3 . . 4.450 4.047 3.576 4.459 0.009 4 0 "[ . 1 . 2]" 1
946 1 44 LEU MD2 1 45 LEU H . . 3.350 2.075 1.887 2.253 . 0 0 "[ . 1 . 2]" 1
947 1 44 LEU MD2 1 45 LEU HB3 . . 4.740 4.424 4.249 4.506 . 0 0 "[ . 1 . 2]" 1
948 1 44 LEU MD2 1 45 LEU HG . . 5.500 5.470 5.419 5.519 0.019 3 0 "[ . 1 . 2]" 1
949 1 44 LEU MD2 1 46 GLU H . . 4.550 4.227 4.106 4.386 . 0 0 "[ . 1 . 2]" 1
950 1 44 LEU MD2 1 46 GLU HA . . 4.540 4.327 4.168 4.480 . 0 0 "[ . 1 . 2]" 1
951 1 44 LEU MD2 1 46 GLU HB2 . . 4.310 4.231 3.988 4.333 0.023 11 0 "[ . 1 . 2]" 1
952 1 44 LEU MD2 1 51 ASP HA . . 4.120 3.697 3.432 4.015 . 0 0 "[ . 1 . 2]" 1
953 1 44 LEU MD2 1 51 ASP QB . . 4.420 2.656 2.145 3.176 . 0 0 "[ . 1 . 2]" 1
954 1 44 LEU MD2 1 52 TYR H . . 4.660 4.340 4.201 4.492 . 0 0 "[ . 1 . 2]" 1
955 1 44 LEU MD2 1 53 THR H . . 4.720 4.237 3.995 4.444 . 0 0 "[ . 1 . 2]" 1
956 1 44 LEU MD2 1 73 HIS QB . . 5.340 4.871 4.428 5.276 . 0 0 "[ . 1 . 2]" 1
957 1 44 LEU MD2 1 75 LYS H . . 5.500 5.544 5.507 5.580 0.080 10 0 "[ . 1 . 2]" 1
958 1 44 LEU HG 1 45 LEU H . . 4.990 4.632 4.445 4.771 . 0 0 "[ . 1 . 2]" 1
959 1 44 LEU HG 1 75 LYS QD . . 4.590 3.243 2.893 3.758 . 0 0 "[ . 1 . 2]" 1
960 1 45 LEU H 1 45 LEU HB2 . . 3.800 3.192 3.080 3.278 . 0 0 "[ . 1 . 2]" 1
961 1 45 LEU H 1 45 LEU HB3 . . 3.630 2.734 2.607 2.856 . 0 0 "[ . 1 . 2]" 1
962 1 45 LEU H 1 45 LEU MD1 . . 4.630 4.496 4.424 4.620 . 0 0 "[ . 1 . 2]" 1
963 1 45 LEU H 1 45 LEU MD2 . . 4.900 4.503 4.378 4.599 . 0 0 "[ . 1 . 2]" 1
964 1 45 LEU H 1 46 GLU H . . 4.380 4.202 4.130 4.272 . 0 0 "[ . 1 . 2]" 1
965 1 45 LEU H 1 46 GLU QG . . 4.070 3.621 3.506 3.751 . 0 0 "[ . 1 . 2]" 1
966 1 45 LEU H 1 51 ASP HA . . 4.750 4.419 4.101 4.698 . 0 0 "[ . 1 . 2]" 1
967 1 45 LEU H 1 53 THR HA . . 4.700 4.153 3.938 4.554 . 0 0 "[ . 1 . 2]" 1
968 1 45 LEU H 1 53 THR HB . . 4.420 1.847 1.691 2.144 . 0 0 "[ . 1 . 2]" 1
969 1 45 LEU H 1 53 THR MG . . 3.350 2.917 2.693 3.090 . 0 0 "[ . 1 . 2]" 1
970 1 45 LEU H 1 54 ASN H . . 5.500 5.590 5.557 5.650 0.150 11 0 "[ . 1 . 2]" 1
971 1 45 LEU HA 1 45 LEU MD1 . . 3.120 2.299 2.159 2.527 . 0 0 "[ . 1 . 2]" 1
972 1 45 LEU HA 1 45 LEU MD2 . . 4.020 3.936 3.912 3.971 . 0 0 "[ . 1 . 2]" 1
973 1 45 LEU HA 1 45 LEU HG . . 3.830 2.931 2.734 3.083 . 0 0 "[ . 1 . 2]" 1
974 1 45 LEU HA 1 46 GLU H . . 2.710 2.227 2.176 2.273 . 0 0 "[ . 1 . 2]" 1
975 1 45 LEU HA 1 46 GLU HB2 . . 4.890 4.713 4.472 4.911 0.021 10 0 "[ . 1 . 2]" 1
976 1 45 LEU HB2 1 52 TYR H . . 5.480 5.115 4.865 5.384 . 0 0 "[ . 1 . 2]" 1
977 1 45 LEU HB2 1 53 THR H . . 5.400 4.645 4.391 4.896 . 0 0 "[ . 1 . 2]" 1
978 1 45 LEU HB2 1 53 THR HA . . 4.020 3.350 2.937 4.010 . 0 0 "[ . 1 . 2]" 1
979 1 45 LEU HB2 1 53 THR MG . . 4.360 4.381 4.274 4.417 0.057 10 0 "[ . 1 . 2]" 1
980 1 45 LEU HB2 1 75 LYS H . . 5.500 4.658 4.363 4.964 . 0 0 "[ . 1 . 2]" 1
981 1 45 LEU HB3 1 45 LEU MD2 . . 3.310 2.223 2.167 2.270 . 0 0 "[ . 1 . 2]" 1
982 1 45 LEU HB3 1 53 THR H . . 4.050 3.029 2.801 3.269 . 0 0 "[ . 1 . 2]" 1
983 1 45 LEU HB3 1 53 THR HA . . 3.270 2.347 2.077 2.887 . 0 0 "[ . 1 . 2]" 1
984 1 45 LEU MD1 1 46 GLU H . . 3.460 3.130 2.832 3.469 0.009 7 0 "[ . 1 . 2]" 1
985 1 45 LEU MD1 1 46 GLU HA . . 5.500 5.039 4.720 5.363 . 0 0 "[ . 1 . 2]" 1
986 1 45 LEU MD1 1 53 THR HA . . 5.350 4.558 4.264 4.986 . 0 0 "[ . 1 . 2]" 1
987 1 45 LEU MD1 1 53 THR HB . . 4.730 4.747 4.602 4.794 0.064 12 0 "[ . 1 . 2]" 1
988 1 45 LEU MD1 1 73 HIS H . . 4.570 4.143 3.786 4.496 . 0 0 "[ . 1 . 2]" 1
989 1 45 LEU MD1 1 73 HIS QB . . 5.340 4.727 4.470 4.965 . 0 0 "[ . 1 . 2]" 1
990 1 45 LEU MD1 1 74 TYR HA . . 3.390 2.738 2.485 2.974 . 0 0 "[ . 1 . 2]" 1
991 1 45 LEU MD1 1 74 TYR HB3 . . 3.690 3.637 3.438 3.722 0.032 6 0 "[ . 1 . 2]" 1
992 1 45 LEU MD1 1 74 TYR QD . . 3.960 2.417 2.317 2.561 . 0 0 "[ . 1 . 2]" 1
993 1 45 LEU MD1 1 75 LYS H . . 4.850 4.324 4.067 4.502 . 0 0 "[ . 1 . 2]" 1
994 1 45 LEU MD2 1 46 GLU H . . 4.970 4.534 4.280 4.704 . 0 0 "[ . 1 . 2]" 1
995 1 45 LEU MD2 1 52 TYR H . . 4.640 3.828 3.629 4.035 . 0 0 "[ . 1 . 2]" 1
996 1 45 LEU MD2 1 52 TYR HB2 . . 4.650 3.451 2.528 4.395 . 0 0 "[ . 1 . 2]" 1
997 1 45 LEU MD2 1 52 TYR QB . . 4.030 3.225 2.434 4.040 0.010 19 0 "[ . 1 . 2]" 1
998 1 45 LEU MD2 1 52 TYR HB3 . . 4.650 3.902 3.049 4.731 0.081 1 0 "[ . 1 . 2]" 1
999 1 45 LEU MD2 1 53 THR HA . . 4.320 2.627 2.253 3.180 . 0 0 "[ . 1 . 2]" 1
1000 1 45 LEU HG 1 46 GLU H . . 3.620 2.985 2.705 3.217 . 0 0 "[ . 1 . 2]" 1
1001 1 45 LEU HG 1 46 GLU QG . . 5.500 5.074 4.883 5.212 . 0 0 "[ . 1 . 2]" 1
1002 1 45 LEU HG 1 47 ILE HG13 . . 4.380 3.834 3.235 4.451 0.071 11 0 "[ . 1 . 2]" 1
1003 1 45 LEU HG 1 52 TYR QB . . 5.340 4.166 3.226 5.178 . 0 0 "[ . 1 . 2]" 1
1004 1 45 LEU HG 1 73 HIS H . . 5.050 4.828 4.277 5.054 0.004 10 0 "[ . 1 . 2]" 1
1005 1 46 GLU H 1 46 GLU HB2 . . 3.340 2.829 2.698 2.981 . 0 0 "[ . 1 . 2]" 1
1006 1 46 GLU H 1 46 GLU HB3 . . 4.070 3.905 3.848 3.980 . 0 0 "[ . 1 . 2]" 1
1007 1 46 GLU H 1 73 HIS H . . 3.360 2.972 2.756 3.106 . 0 0 "[ . 1 . 2]" 1
1008 1 46 GLU H 1 73 HIS QB . . 3.790 2.975 2.247 3.563 . 0 0 "[ . 1 . 2]" 1
1009 1 46 GLU HA 1 47 ILE H . . 2.720 2.243 2.175 2.306 . 0 0 "[ . 1 . 2]" 1
1010 1 46 GLU HA 1 49 GLY H . . 5.310 5.117 4.689 5.332 0.022 19 0 "[ . 1 . 2]" 1
1011 1 46 GLU HA 1 50 THR H . . 4.250 4.236 4.050 4.278 0.028 14 0 "[ . 1 . 2]" 1
1012 1 46 GLU HA 1 50 THR MG . . 5.180 5.130 4.866 5.224 0.044 18 0 "[ . 1 . 2]" 1
1013 1 46 GLU HA 1 51 ASP H . . 4.610 4.352 4.132 4.482 . 0 0 "[ . 1 . 2]" 1
1014 1 46 GLU HA 1 51 ASP HA . . 3.460 2.109 1.997 2.271 . 0 0 "[ . 1 . 2]" 1
1015 1 46 GLU HA 1 52 TYR H . . 3.380 2.813 2.553 2.959 . 0 0 "[ . 1 . 2]" 1
1016 1 46 GLU HA 1 52 TYR QB . . 4.390 4.155 3.704 4.421 0.031 15 0 "[ . 1 . 2]" 1
1017 1 46 GLU HA 1 52 TYR QD . . 4.240 3.038 2.345 3.659 . 0 0 "[ . 1 . 2]" 1
1018 1 46 GLU HA 1 53 THR H . . 5.050 4.784 4.566 5.053 0.003 2 0 "[ . 1 . 2]" 1
1019 1 46 GLU HB2 1 47 ILE H . . 4.060 3.783 3.554 4.004 . 0 0 "[ . 1 . 2]" 1
1020 1 46 GLU HB2 1 49 GLY H . . 4.640 3.974 3.613 4.344 . 0 0 "[ . 1 . 2]" 1
1021 1 46 GLU HB2 1 50 THR H . . 4.760 4.556 4.228 4.837 0.077 4 0 "[ . 1 . 2]" 1
1022 1 46 GLU HB2 1 51 ASP HA . . 4.210 4.304 4.244 4.347 0.137 15 0 "[ . 1 . 2]" 1
1023 1 46 GLU HB2 1 72 ILE MG . . 5.500 5.223 4.941 5.515 0.015 4 0 "[ . 1 . 2]" 1
1024 1 46 GLU HB2 1 73 HIS H . . 3.950 3.614 3.265 3.991 0.041 4 0 "[ . 1 . 2]" 1
1025 1 46 GLU HB2 1 73 HIS QB . . 3.590 2.609 2.045 3.356 . 0 0 "[ . 1 . 2]" 1
1026 1 46 GLU HB3 1 47 ILE H . . 3.470 2.658 2.445 2.804 . 0 0 "[ . 1 . 2]" 1
1027 1 46 GLU HB3 1 48 ASN H . . 5.450 4.978 4.596 5.410 . 0 0 "[ . 1 . 2]" 1
1028 1 46 GLU HB3 1 49 GLY H . . 4.050 3.237 2.699 3.690 . 0 0 "[ . 1 . 2]" 1
1029 1 46 GLU HB3 1 50 THR H . . 4.220 2.963 2.716 3.215 . 0 0 "[ . 1 . 2]" 1
1030 1 46 GLU HB3 1 51 ASP H . . 4.630 4.315 4.042 4.646 0.016 4 0 "[ . 1 . 2]" 1
1031 1 46 GLU HB3 1 52 TYR H . . 5.170 5.042 4.658 5.194 0.024 2 0 "[ . 1 . 2]" 1
1032 1 46 GLU HB3 1 73 HIS H . . 5.290 4.746 4.431 5.131 . 0 0 "[ . 1 . 2]" 1
1033 1 46 GLU HB3 1 73 HIS QB . . 4.820 4.160 3.546 4.862 0.042 6 0 "[ . 1 . 2]" 1
1034 1 46 GLU QG 1 50 THR H . . 5.050 4.553 4.093 5.062 0.012 20 0 "[ . 1 . 2]" 1
1035 1 47 ILE H 1 47 ILE HB . . 3.360 2.704 2.543 2.865 . 0 0 "[ . 1 . 2]" 1
1036 1 47 ILE H 1 47 ILE MD . . 4.730 4.040 3.765 4.256 . 0 0 "[ . 1 . 2]" 1
1037 1 47 ILE H 1 47 ILE HG12 . . 4.830 4.326 3.779 4.704 . 0 0 "[ . 1 . 2]" 1
1038 1 47 ILE H 1 47 ILE HG13 . . 4.490 3.207 2.729 3.600 . 0 0 "[ . 1 . 2]" 1
1039 1 47 ILE H 1 47 ILE MG . . 4.090 3.858 3.725 3.964 . 0 0 "[ . 1 . 2]" 1
1040 1 47 ILE H 1 48 ASN H . . 4.230 4.123 4.073 4.178 . 0 0 "[ . 1 . 2]" 1
1041 1 47 ILE H 1 48 ASN HA . . 5.500 5.578 5.518 5.620 0.120 18 0 "[ . 1 . 2]" 1
1042 1 47 ILE H 1 49 GLY H . . 4.110 3.746 3.474 3.925 . 0 0 "[ . 1 . 2]" 1
1043 1 47 ILE H 1 50 THR H . . 3.410 2.713 2.521 2.910 . 0 0 "[ . 1 . 2]" 1
1044 1 47 ILE H 1 50 THR HB . . 4.140 3.803 3.447 4.087 . 0 0 "[ . 1 . 2]" 1
1045 1 47 ILE H 1 50 THR MG . . 4.960 4.618 4.227 4.896 . 0 0 "[ . 1 . 2]" 1
1046 1 47 ILE H 1 51 ASP HA . . 4.100 3.709 3.577 3.887 . 0 0 "[ . 1 . 2]" 1
1047 1 47 ILE H 1 52 TYR QD . . 3.680 2.949 2.457 3.337 . 0 0 "[ . 1 . 2]" 1
1048 1 47 ILE HA 1 47 ILE MD . . 4.320 3.894 3.787 3.999 . 0 0 "[ . 1 . 2]" 1
1049 1 47 ILE HA 1 47 ILE HG12 . . 3.490 2.721 2.565 2.837 . 0 0 "[ . 1 . 2]" 1
1050 1 47 ILE HA 1 47 ILE HG13 . . 3.870 2.856 2.448 3.331 . 0 0 "[ . 1 . 2]" 1
1051 1 47 ILE HA 1 47 ILE MG . . 3.250 2.449 2.232 2.655 . 0 0 "[ . 1 . 2]" 1
1052 1 47 ILE HA 1 48 ASN H . . 2.760 2.139 2.088 2.193 . 0 0 "[ . 1 . 2]" 1
1053 1 47 ILE HA 1 49 GLY H . . 4.210 3.781 3.634 4.008 . 0 0 "[ . 1 . 2]" 1
1054 1 47 ILE HA 1 50 THR H . . 4.800 4.482 4.395 4.591 . 0 0 "[ . 1 . 2]" 1
1055 1 47 ILE HA 1 71 TYR H . . 4.630 4.369 3.997 4.564 . 0 0 "[ . 1 . 2]" 1
1056 1 47 ILE HA 1 72 ILE MG . . 4.340 3.387 3.055 3.779 . 0 0 "[ . 1 . 2]" 1
1057 1 47 ILE HB 1 47 ILE MD . . 3.350 2.325 2.205 2.507 . 0 0 "[ . 1 . 2]" 1
1058 1 47 ILE HB 1 48 ASN H . . 4.550 4.356 4.152 4.471 . 0 0 "[ . 1 . 2]" 1
1059 1 47 ILE HB 1 52 TYR QD . . 3.440 3.019 2.455 3.534 0.094 17 0 "[ . 1 . 2]" 1
1060 1 47 ILE MD 1 52 TYR H . . 4.990 4.982 4.842 5.038 0.048 11 0 "[ . 1 . 2]" 1
1061 1 47 ILE MD 1 52 TYR HA . . 5.500 5.406 5.193 5.552 0.052 17 0 "[ . 1 . 2]" 1
1062 1 47 ILE MD 1 52 TYR QB . . 4.410 3.006 2.691 3.240 . 0 0 "[ . 1 . 2]" 1
1063 1 47 ILE MD 1 52 TYR QD . . 3.790 2.783 2.370 3.202 . 0 0 "[ . 1 . 2]" 1
1064 1 47 ILE MD 1 57 VAL MG1 . . 3.120 2.576 2.277 2.997 . 0 0 "[ . 1 . 2]" 1
1065 1 47 ILE MD 1 62 ILE MD . . 2.860 2.081 2.022 2.143 . 0 0 "[ . 1 . 2]" 1
1066 1 47 ILE MD 1 62 ILE QG . . 3.860 3.120 2.653 3.637 . 0 0 "[ . 1 . 2]" 1
1067 1 47 ILE HG12 1 48 ASN H . . 4.890 4.561 4.183 4.850 . 0 0 "[ . 1 . 2]" 1
1068 1 47 ILE HG12 1 72 ILE HA . . 4.260 3.449 3.112 4.023 . 0 0 "[ . 1 . 2]" 1
1069 1 47 ILE HG12 1 72 ILE HG13 . . 3.990 2.910 2.514 3.831 . 0 0 "[ . 1 . 2]" 1
1070 1 47 ILE HG13 1 47 ILE MG . . 3.660 3.211 3.139 3.272 . 0 0 "[ . 1 . 2]" 1
1071 1 47 ILE HG13 1 48 ASN H . . 5.500 4.927 4.481 5.275 . 0 0 "[ . 1 . 2]" 1
1072 1 47 ILE HG13 1 52 TYR QB . . 5.000 3.947 2.748 5.021 0.021 1 0 "[ . 1 . 2]" 1
1073 1 47 ILE HG13 1 52 TYR QD . . 4.000 3.010 2.272 3.448 . 0 0 "[ . 1 . 2]" 1
1074 1 47 ILE HG13 1 72 ILE MG . . 3.880 2.714 2.312 3.545 . 0 0 "[ . 1 . 2]" 1
1075 1 47 ILE HG13 1 73 HIS H . . 5.500 4.621 4.291 5.228 . 0 0 "[ . 1 . 2]" 1
1076 1 47 ILE MG 1 48 ASN H . . 3.330 2.944 2.772 3.122 . 0 0 "[ . 1 . 2]" 1
1077 1 47 ILE MG 1 48 ASN HA . . 4.580 4.225 3.971 4.505 . 0 0 "[ . 1 . 2]" 1
1078 1 47 ILE MG 1 48 ASN QB . . 3.790 2.789 2.378 3.185 . 0 0 "[ . 1 . 2]" 1
1079 1 47 ILE MG 1 49 GLY H . . 4.800 4.740 4.611 4.837 0.037 5 0 "[ . 1 . 2]" 1
1080 1 47 ILE MG 1 52 TYR QD . . 4.910 4.482 4.093 4.865 . 0 0 "[ . 1 . 2]" 1
1081 1 47 ILE MG 1 62 ILE HB . . 4.880 4.227 3.814 4.570 . 0 0 "[ . 1 . 2]" 1
1082 1 47 ILE MG 1 62 ILE MD . . 3.780 2.821 2.218 3.576 . 0 0 "[ . 1 . 2]" 1
1083 1 47 ILE MG 1 63 PRO QD . . 4.680 4.552 4.035 4.714 0.034 6 0 "[ . 1 . 2]" 1
1084 1 47 ILE MG 1 70 TRP HA . . 4.140 3.784 3.508 4.128 . 0 0 "[ . 1 . 2]" 1
1085 1 47 ILE MG 1 70 TRP HB2 . . 4.740 4.420 3.648 4.765 0.025 8 0 "[ . 1 . 2]" 1
1086 1 47 ILE MG 1 70 TRP HB3 . . 3.640 2.977 2.340 3.304 . 0 0 "[ . 1 . 2]" 1
1087 1 47 ILE MG 1 70 TRP HD1 . . 3.240 3.000 2.671 3.256 0.016 20 0 "[ . 1 . 2]" 1
1088 1 47 ILE MG 1 71 TYR H . . 4.210 3.188 2.886 3.420 . 0 0 "[ . 1 . 2]" 1
1089 1 47 ILE MG 1 71 TYR HA . . 5.460 5.048 4.709 5.478 0.018 15 0 "[ . 1 . 2]" 1
1090 1 47 ILE MG 1 72 ILE HA . . 4.700 3.932 3.341 4.535 . 0 0 "[ . 1 . 2]" 1
1091 1 48 ASN H 1 48 ASN QB . . 3.820 2.974 2.805 3.375 . 0 0 "[ . 1 . 2]" 1
1092 1 48 ASN H 1 49 GLY H . . 3.620 2.764 2.698 2.826 . 0 0 "[ . 1 . 2]" 1
1093 1 48 ASN H 1 49 GLY HA2 . . 5.350 5.050 4.948 5.098 . 0 0 "[ . 1 . 2]" 1
1094 1 48 ASN H 1 49 GLY QA . . 4.630 4.639 4.574 4.672 0.042 1 0 "[ . 1 . 2]" 1
1095 1 48 ASN H 1 49 GLY HA3 . . 5.350 5.407 5.371 5.427 0.077 1 0 "[ . 1 . 2]" 1
1096 1 48 ASN H 1 50 THR H . . 4.630 4.297 4.143 4.413 . 0 0 "[ . 1 . 2]" 1
1097 1 48 ASN H 1 71 TYR H . . 3.870 3.375 2.932 3.912 0.042 17 0 "[ . 1 . 2]" 1
1098 1 48 ASN H 1 71 TYR HB2 . . 3.840 2.901 2.474 3.220 . 0 0 "[ . 1 . 2]" 1
1099 1 48 ASN H 1 71 TYR HB3 . . 4.680 4.359 3.699 4.709 0.029 12 0 "[ . 1 . 2]" 1
1100 1 48 ASN H 1 71 TYR QD . . 4.760 4.139 3.872 4.415 . 0 0 "[ . 1 . 2]" 1
1101 1 48 ASN H 1 72 ILE HA . . 4.100 3.781 3.549 4.150 0.050 7 0 "[ . 1 . 2]" 1
1102 1 48 ASN H 1 72 ILE HG13 . . 5.320 4.803 4.312 5.299 . 0 0 "[ . 1 . 2]" 1
1103 1 48 ASN HA 1 49 GLY H . . 3.230 2.795 2.708 2.912 . 0 0 "[ . 1 . 2]" 1
1104 1 48 ASN HA 1 50 THR H . . 4.730 4.584 4.462 4.782 0.052 12 0 "[ . 1 . 2]" 1
1105 1 48 ASN HA 1 65 ALA MB . . 5.030 4.774 4.209 5.098 0.068 19 0 "[ . 1 . 2]" 1
1106 1 48 ASN QB 1 49 GLY H . . 4.170 3.951 3.891 4.010 . 0 0 "[ . 1 . 2]" 1
1107 1 48 ASN QB 1 50 THR H . . 4.300 4.098 3.857 4.333 0.033 6 0 "[ . 1 . 2]" 1
1108 1 48 ASN QB 1 65 ALA H . . 5.500 5.028 4.345 5.529 0.029 16 0 "[ . 1 . 2]" 1
1109 1 48 ASN QB 1 65 ALA HA . . 5.030 4.625 3.574 5.087 0.057 10 0 "[ . 1 . 2]" 1
1110 1 48 ASN QB 1 65 ALA MB . . 4.300 3.693 3.211 4.312 0.012 20 0 "[ . 1 . 2]" 1
1111 1 49 GLY H 1 50 THR H . . 3.460 2.615 2.511 2.730 . 0 0 "[ . 1 . 2]" 1
1112 1 49 GLY H 1 50 THR HA . . 5.150 5.208 5.167 5.248 0.098 4 0 "[ . 1 . 2]" 1
1113 1 49 GLY H 1 71 TYR QD . . 5.440 5.360 5.058 5.508 0.068 16 0 "[ . 1 . 2]" 1
1114 1 49 GLY QA 1 50 THR HA . . 4.650 4.075 3.916 4.122 . 0 0 "[ . 1 . 2]" 1
1115 1 50 THR H 1 50 THR HB . . 2.860 2.767 2.492 2.918 0.058 6 0 "[ . 1 . 2]" 1
1116 1 50 THR H 1 50 THR MG . . 4.110 3.931 3.816 4.016 . 0 0 "[ . 1 . 2]" 1
1117 1 50 THR H 1 51 ASP H . . 4.320 4.376 4.295 4.419 0.099 2 0 "[ . 1 . 2]" 1
1118 1 50 THR HA 1 50 THR MG . . 3.060 2.353 2.219 2.516 . 0 0 "[ . 1 . 2]" 1
1119 1 50 THR HA 1 51 ASP H . . 2.540 2.168 2.067 2.246 . 0 0 "[ . 1 . 2]" 1
1120 1 50 THR HB 1 51 ASP H . . 4.500 4.135 3.931 4.355 . 0 0 "[ . 1 . 2]" 1
1121 1 50 THR MG 1 51 ASP H . . 3.080 2.695 2.429 3.003 . 0 0 "[ . 1 . 2]" 1
1122 1 50 THR MG 1 51 ASP HA . . 4.610 4.310 4.134 4.496 . 0 0 "[ . 1 . 2]" 1
1123 1 50 THR MG 1 51 ASP QB . . 5.310 4.411 3.723 4.699 . 0 0 "[ . 1 . 2]" 1
1124 1 51 ASP H 1 51 ASP HB2 . . 3.580 3.491 2.643 3.678 0.098 2 0 "[ . 1 . 2]" 1
1125 1 51 ASP H 1 51 ASP QB . . 2.810 2.604 2.024 2.829 0.019 12 0 "[ . 1 . 2]" 1
1126 1 51 ASP H 1 51 ASP HB3 . . 3.580 2.693 2.089 2.951 . 0 0 "[ . 1 . 2]" 1
1127 1 51 ASP H 1 52 TYR H . . 4.740 4.621 4.524 4.699 . 0 0 "[ . 1 . 2]" 1
1128 1 51 ASP HA 1 52 TYR H . . 2.760 2.136 2.037 2.276 . 0 0 "[ . 1 . 2]" 1
1129 1 51 ASP HA 1 52 TYR QB . . 4.900 4.283 4.161 4.465 . 0 0 "[ . 1 . 2]" 1
1130 1 51 ASP HA 1 53 THR H . . 3.950 3.742 3.571 3.943 . 0 0 "[ . 1 . 2]" 1
1131 1 51 ASP HA 1 53 THR HB . . 5.100 4.919 4.731 5.166 0.066 7 0 "[ . 1 . 2]" 1
1132 1 51 ASP HA 1 53 THR MG . . 5.110 5.078 4.797 5.159 0.049 5 0 "[ . 1 . 2]" 1
1133 1 51 ASP QB 1 52 TYR H . . 3.890 2.980 2.774 3.754 . 0 0 "[ . 1 . 2]" 1
1134 1 51 ASP QB 1 53 THR H . . 4.280 3.054 2.580 4.277 . 0 0 "[ . 1 . 2]" 1
1135 1 51 ASP HB2 1 52 TYR H . . 4.500 3.104 2.831 4.114 . 0 0 "[ . 1 . 2]" 1
1136 1 51 ASP HB2 1 53 THR H . . 4.870 3.152 2.601 4.811 . 0 0 "[ . 1 . 2]" 1
1137 1 51 ASP HB3 1 52 TYR H . . 4.500 3.924 3.588 4.406 . 0 0 "[ . 1 . 2]" 1
1138 1 51 ASP HB3 1 53 THR H . . 4.870 4.462 4.030 4.844 . 0 0 "[ . 1 . 2]" 1
1139 1 52 TYR H 1 52 TYR HB2 . . 4.030 3.223 2.625 3.989 . 0 0 "[ . 1 . 2]" 1
1140 1 52 TYR H 1 52 TYR QB . . 3.320 2.838 2.578 3.131 . 0 0 "[ . 1 . 2]" 1
1141 1 52 TYR H 1 52 TYR HB3 . . 4.030 3.588 3.183 3.876 . 0 0 "[ . 1 . 2]" 1
1142 1 52 TYR H 1 52 TYR QD . . 3.960 3.040 2.351 3.489 . 0 0 "[ . 1 . 2]" 1
1143 1 52 TYR H 1 53 THR H . . 3.140 2.187 2.057 2.406 . 0 0 "[ . 1 . 2]" 1
1144 1 52 TYR H 1 53 THR HA . . 4.740 4.274 4.058 4.620 . 0 0 "[ . 1 . 2]" 1
1145 1 52 TYR H 1 53 THR HB . . 4.550 3.759 3.575 4.080 . 0 0 "[ . 1 . 2]" 1
1146 1 52 TYR H 1 53 THR MG . . 5.040 4.337 4.170 4.570 . 0 0 "[ . 1 . 2]" 1
1147 1 52 TYR HA 1 53 THR H . . 3.090 3.084 2.925 3.149 0.059 4 0 "[ . 1 . 2]" 1
1148 1 52 TYR HA 1 53 THR HA . . 4.740 4.758 4.652 4.805 0.065 16 0 "[ . 1 . 2]" 1
1149 1 52 TYR HA 1 54 ASN H . . 4.100 3.767 3.318 4.072 . 0 0 "[ . 1 . 2]" 1
1150 1 52 TYR HA 1 55 VAL H . . 4.150 4.108 3.832 4.202 0.052 5 0 "[ . 1 . 2]" 1
1151 1 52 TYR QB 1 53 THR H . . 4.220 3.852 3.614 4.112 . 0 0 "[ . 1 . 2]" 1
1152 1 52 TYR QB 1 57 VAL HB . . 4.460 3.375 3.165 3.663 . 0 0 "[ . 1 . 2]" 1
1153 1 52 TYR QB 1 57 VAL MG1 . . 3.480 2.999 2.570 3.387 . 0 0 "[ . 1 . 2]" 1
1154 1 52 TYR QB 1 57 VAL MG2 . . 4.010 3.964 3.734 4.044 0.034 9 0 "[ . 1 . 2]" 1
1155 1 52 TYR HB2 1 53 THR H . . 4.800 4.231 3.900 4.619 . 0 0 "[ . 1 . 2]" 1
1156 1 52 TYR HB2 1 57 VAL MG1 . . 4.000 3.540 3.307 3.741 . 0 0 "[ . 1 . 2]" 1
1157 1 52 TYR HB3 1 53 THR H . . 4.800 4.452 4.265 4.622 . 0 0 "[ . 1 . 2]" 1
1158 1 52 TYR HB3 1 57 VAL MG1 . . 4.000 3.365 2.653 4.048 0.048 8 0 "[ . 1 . 2]" 1
1159 1 52 TYR QD 1 53 THR H . . 4.950 4.675 4.086 4.995 0.045 2 0 "[ . 1 . 2]" 1
1160 1 52 TYR QD 1 57 VAL MG1 . . 3.730 2.945 2.238 3.538 . 0 0 "[ . 1 . 2]" 1
1161 1 52 TYR QD 1 57 VAL MG2 . . 4.270 3.604 2.933 4.298 0.028 17 0 "[ . 1 . 2]" 1
1162 1 53 THR H 1 53 THR HB . . 3.080 2.308 2.135 2.515 . 0 0 "[ . 1 . 2]" 1
1163 1 53 THR H 1 53 THR MG . . 3.490 2.593 2.450 2.739 . 0 0 "[ . 1 . 2]" 1
1164 1 53 THR H 1 54 ASN H . . 4.300 2.840 2.479 3.005 . 0 0 "[ . 1 . 2]" 1
1165 1 53 THR HA 1 53 THR MG . . 3.200 3.223 3.208 3.235 0.035 16 0 "[ . 1 . 2]" 1
1166 1 53 THR HA 1 54 ASN H . . 3.530 3.427 3.354 3.464 . 0 0 "[ . 1 . 2]" 1
1167 1 53 THR HA 1 54 ASN HA . . 5.050 4.704 4.589 4.800 . 0 0 "[ . 1 . 2]" 1
1168 1 53 THR HA 1 54 ASN QB . . 5.410 5.214 5.009 5.429 0.019 11 0 "[ . 1 . 2]" 1
1169 1 53 THR HA 1 55 VAL H . . 5.010 3.833 3.560 4.137 . 0 0 "[ . 1 . 2]" 1
1170 1 53 THR MG 1 54 ASN H . . 3.230 2.581 2.447 2.862 . 0 0 "[ . 1 . 2]" 1
1171 1 53 THR MG 1 54 ASN HA . . 4.030 3.383 3.246 3.522 . 0 0 "[ . 1 . 2]" 1
1172 1 53 THR MG 1 54 ASN QB . . 3.700 3.407 2.859 3.729 0.029 16 0 "[ . 1 . 2]" 1
1173 1 54 ASN H 1 54 ASN HA . . 2.860 2.894 2.847 2.943 0.083 14 0 "[ . 1 . 2]" 1
1174 1 54 ASN H 1 54 ASN QB . . 3.830 2.273 2.130 2.514 . 0 0 "[ . 1 . 2]" 1
1175 1 54 ASN H 1 55 VAL H . . 3.380 2.828 2.649 2.947 . 0 0 "[ . 1 . 2]" 1
1176 1 54 ASN H 1 55 VAL QG . . 4.880 3.323 2.778 3.713 . 0 0 "[ . 1 . 2]" 1
1177 1 54 ASN QB 1 55 VAL H . . 3.820 3.435 3.192 3.831 0.011 2 0 "[ . 1 . 2]" 1
1178 1 55 VAL H 1 55 VAL HB . . 3.920 3.872 3.795 3.933 0.013 11 0 "[ . 1 . 2]" 1
1179 1 55 VAL H 1 55 VAL MG1 . . 4.120 2.972 2.659 3.325 . 0 0 "[ . 1 . 2]" 1
1180 1 55 VAL H 1 55 VAL QG . . 2.870 2.271 2.109 2.376 . 0 0 "[ . 1 . 2]" 1
1181 1 55 VAL H 1 55 VAL MG2 . . 4.120 2.363 2.152 2.471 . 0 0 "[ . 1 . 2]" 1
1182 1 55 VAL HA 1 55 VAL MG1 . . 3.690 2.406 2.320 2.495 . 0 0 "[ . 1 . 2]" 1
1183 1 55 VAL HA 1 55 VAL QG . . 2.890 2.347 2.274 2.418 . 0 0 "[ . 1 . 2]" 1
1184 1 55 VAL HA 1 55 VAL MG2 . . 3.690 3.265 3.242 3.277 . 0 0 "[ . 1 . 2]" 1
1185 1 55 VAL HA 1 56 TRP H . . 2.730 2.420 2.284 2.519 . 0 0 "[ . 1 . 2]" 1
1186 1 55 VAL HB 1 56 TRP H . . 3.060 2.385 2.157 2.782 . 0 0 "[ . 1 . 2]" 1
1187 1 55 VAL QG 1 56 TRP HB3 . . 5.000 4.982 4.854 5.155 0.155 11 0 "[ . 1 . 2]" 1
1188 1 55 VAL QG 1 56 TRP HE1 . . 5.440 5.247 4.794 5.874 0.434 17 0 "[ . 1 . 2]" 1
1189 1 55 VAL QG 1 57 VAL HA . . 4.370 4.143 3.822 4.611 0.241 12 0 "[ . 1 . 2]" 1
1190 1 55 VAL QG 1 57 VAL HB . . 4.130 3.004 2.624 3.329 . 0 0 "[ . 1 . 2]" 1
1191 1 55 VAL MG1 1 56 TRP H . . 3.870 3.737 3.592 3.878 0.008 18 0 "[ . 1 . 2]" 1
1192 1 55 VAL MG2 1 56 TRP H . . 3.870 3.416 3.126 3.767 . 0 0 "[ . 1 . 2]" 1
1193 1 56 TRP H 1 56 TRP HB2 . . 3.620 3.668 3.623 3.701 0.081 6 0 "[ . 1 . 2]" 1
1194 1 56 TRP H 1 56 TRP HB3 . . 2.930 2.858 2.629 2.960 0.030 9 0 "[ . 1 . 2]" 1
1195 1 56 TRP H 1 56 TRP HD1 . . 4.290 2.545 2.223 2.773 . 0 0 "[ . 1 . 2]" 1
1196 1 56 TRP HA 1 57 VAL H . . 2.940 2.258 2.173 2.346 . 0 0 "[ . 1 . 2]" 1
1197 1 56 TRP HA 1 57 VAL MG1 . . 4.460 3.854 3.695 4.001 . 0 0 "[ . 1 . 2]" 1
1198 1 56 TRP HA 1 57 VAL MG2 . . 5.500 5.502 5.441 5.541 0.041 8 0 "[ . 1 . 2]" 1
1199 1 56 TRP HB2 1 57 VAL H . . 4.580 2.635 2.501 2.766 . 0 0 "[ . 1 . 2]" 1
1200 1 56 TRP HB2 1 57 VAL HB . . 5.500 5.468 5.398 5.523 0.023 3 0 "[ . 1 . 2]" 1
1201 1 56 TRP HB2 1 58 ALA H . . 5.500 5.543 5.511 5.564 0.064 16 0 "[ . 1 . 2]" 1
1202 1 56 TRP HB3 1 57 VAL H . . 4.150 3.893 3.768 3.981 . 0 0 "[ . 1 . 2]" 1
1203 1 56 TRP HE3 1 57 VAL H . . 4.450 3.213 3.027 3.476 . 0 0 "[ . 1 . 2]" 1
1204 1 56 TRP HE3 1 57 VAL HA . . 3.530 2.695 2.549 2.845 . 0 0 "[ . 1 . 2]" 1
1205 1 56 TRP HE3 1 57 VAL MG2 . . 4.550 4.473 4.350 4.569 0.019 17 0 "[ . 1 . 2]" 1
1206 1 56 TRP HE3 1 58 ALA H . . 3.930 3.326 3.143 3.501 . 0 0 "[ . 1 . 2]" 1
1207 1 56 TRP HE3 1 58 ALA MB . . 5.500 3.644 3.152 3.959 . 0 0 "[ . 1 . 2]" 1
1208 1 56 TRP HE3 1 61 GLN HE21 . . 4.970 4.938 4.605 5.008 0.038 5 0 "[ . 1 . 2]" 1
1209 1 56 TRP HZ3 1 57 VAL HA . . 4.260 3.535 3.341 3.880 . 0 0 "[ . 1 . 2]" 1
1210 1 56 TRP HZ3 1 58 ALA H . . 3.640 3.013 2.599 3.652 0.012 9 0 "[ . 1 . 2]" 1
1211 1 57 VAL H 1 57 VAL HB . . 3.860 3.345 3.258 3.455 . 0 0 "[ . 1 . 2]" 1
1212 1 57 VAL H 1 57 VAL MG1 . . 3.190 2.551 2.440 2.671 . 0 0 "[ . 1 . 2]" 1
1213 1 57 VAL H 1 57 VAL MG2 . . 4.110 4.047 4.021 4.077 . 0 0 "[ . 1 . 2]" 1
1214 1 57 VAL H 1 58 ALA H . . 4.490 4.330 4.294 4.364 . 0 0 "[ . 1 . 2]" 1
1215 1 57 VAL H 1 62 ILE MD . . 5.500 5.268 5.131 5.367 . 0 0 "[ . 1 . 2]" 1
1216 1 57 VAL HA 1 57 VAL MG1 . . 3.740 3.246 3.226 3.258 . 0 0 "[ . 1 . 2]" 1
1217 1 57 VAL HA 1 57 VAL MG2 . . 3.170 2.304 2.259 2.363 . 0 0 "[ . 1 . 2]" 1
1218 1 57 VAL HA 1 58 ALA H . . 2.700 2.233 2.166 2.292 . 0 0 "[ . 1 . 2]" 1
1219 1 57 VAL HA 1 61 GLN HB3 . . 4.700 4.609 4.343 4.750 0.050 14 0 "[ . 1 . 2]" 1
1220 1 57 VAL HB 1 58 ALA H . . 4.220 4.144 4.050 4.206 . 0 0 "[ . 1 . 2]" 1
1221 1 57 VAL HB 1 62 ILE MD . . 4.180 4.200 4.160 4.241 0.061 17 0 "[ . 1 . 2]" 1
1222 1 57 VAL MG1 1 58 ALA H . . 3.800 3.780 3.654 3.831 0.031 4 0 "[ . 1 . 2]" 1
1223 1 57 VAL MG1 1 61 GLN H . . 5.500 5.526 5.497 5.551 0.051 15 0 "[ . 1 . 2]" 1
1224 1 57 VAL MG1 1 61 GLN HB3 . . 4.860 4.647 4.564 4.823 . 0 0 "[ . 1 . 2]" 1
1225 1 57 VAL MG1 1 62 ILE MD . . 2.840 2.052 1.991 2.163 . 0 0 "[ . 1 . 2]" 1
1226 1 57 VAL MG1 1 62 ILE QG . . 4.060 3.156 3.015 3.342 . 0 0 "[ . 1 . 2]" 1
1227 1 57 VAL MG2 1 58 ALA H . . 2.950 2.408 2.319 2.476 . 0 0 "[ . 1 . 2]" 1
1228 1 57 VAL MG2 1 58 ALA HA . . 4.490 4.122 4.047 4.164 . 0 0 "[ . 1 . 2]" 1
1229 1 57 VAL MG2 1 61 GLN H . . 4.990 3.964 3.784 4.134 . 0 0 "[ . 1 . 2]" 1
1230 1 57 VAL MG2 1 61 GLN HB3 . . 3.760 2.450 2.245 2.636 . 0 0 "[ . 1 . 2]" 1
1231 1 57 VAL MG2 1 61 GLN HE22 . . 4.780 2.931 2.533 3.456 . 0 0 "[ . 1 . 2]" 1
1232 1 57 VAL MG2 1 61 GLN QG . . 4.250 3.711 3.548 3.985 . 0 0 "[ . 1 . 2]" 1
1233 1 57 VAL MG2 1 62 ILE MD . . 3.340 2.401 2.258 2.598 . 0 0 "[ . 1 . 2]" 1
1234 1 57 VAL MG2 1 62 ILE QG . . 3.290 2.193 2.079 2.351 . 0 0 "[ . 1 . 2]" 1
1235 1 58 ALA H 1 58 ALA MB . . 3.110 2.305 2.270 2.341 . 0 0 "[ . 1 . 2]" 1
1236 1 58 ALA H 1 59 GLN H . . 4.760 4.558 4.497 4.624 . 0 0 "[ . 1 . 2]" 1
1237 1 58 ALA H 1 61 GLN H . . 5.060 4.179 3.992 4.375 . 0 0 "[ . 1 . 2]" 1
1238 1 58 ALA H 1 61 GLN HB2 . . 4.200 3.088 2.749 3.308 . 0 0 "[ . 1 . 2]" 1
1239 1 58 ALA H 1 61 GLN HB3 . . 4.240 3.259 3.023 3.473 . 0 0 "[ . 1 . 2]" 1
1240 1 58 ALA H 1 61 GLN HE21 . . 4.450 3.013 2.620 3.298 . 0 0 "[ . 1 . 2]" 1
1241 1 58 ALA HA 1 59 GLN H . . 3.000 2.211 2.163 2.280 . 0 0 "[ . 1 . 2]" 1
1242 1 58 ALA HA 1 59 GLN QG . . 5.340 4.330 3.615 5.197 . 0 0 "[ . 1 . 2]" 1
1243 1 58 ALA HA 1 60 HIS H . . 4.340 4.140 3.886 4.361 0.021 17 0 "[ . 1 . 2]" 1
1244 1 58 ALA MB 1 59 GLN H . . 3.530 3.117 2.981 3.249 . 0 0 "[ . 1 . 2]" 1
1245 1 58 ALA MB 1 59 GLN HA . . 4.590 4.577 4.529 4.630 0.040 3 0 "[ . 1 . 2]" 1
1246 1 58 ALA MB 1 59 GLN HB2 . . 4.610 4.308 4.175 4.403 . 0 0 "[ . 1 . 2]" 1
1247 1 58 ALA MB 1 59 GLN HB3 . . 5.360 5.387 5.291 5.440 0.080 17 0 "[ . 1 . 2]" 1
1248 1 58 ALA MB 1 60 HIS H . . 3.650 2.786 2.538 3.054 . 0 0 "[ . 1 . 2]" 1
1249 1 58 ALA MB 1 60 HIS HD2 . . 4.410 2.766 1.960 3.879 . 0 0 "[ . 1 . 2]" 1
1250 1 58 ALA MB 1 61 GLN H . . 3.590 2.851 2.594 3.091 . 0 0 "[ . 1 . 2]" 1
1251 1 58 ALA MB 1 61 GLN HB2 . . 3.970 2.282 2.189 2.416 . 0 0 "[ . 1 . 2]" 1
1252 1 58 ALA MB 1 61 GLN HB3 . . 4.170 3.465 3.214 3.653 . 0 0 "[ . 1 . 2]" 1
1253 1 58 ALA MB 1 61 GLN HE21 . . 4.700 3.111 2.891 3.540 . 0 0 "[ . 1 . 2]" 1
1254 1 58 ALA MB 1 61 GLN HE22 . . 5.220 4.217 3.916 4.705 . 0 0 "[ . 1 . 2]" 1
1255 1 58 ALA MB 1 61 GLN QG . . 3.880 3.904 3.894 3.922 0.042 16 0 "[ . 1 . 2]" 1
1256 1 59 GLN H 1 59 GLN HB2 . . 3.610 2.587 2.428 2.928 . 0 0 "[ . 1 . 2]" 1
1257 1 59 GLN H 1 59 GLN HB3 . . 3.620 3.586 3.554 3.624 0.004 12 0 "[ . 1 . 2]" 1
1258 1 59 GLN H 1 59 GLN HG2 . . 4.230 3.343 1.816 3.915 . 0 0 "[ . 1 . 2]" 1
1259 1 59 GLN H 1 59 GLN QG . . 3.380 2.469 1.807 3.308 . 0 0 "[ . 1 . 2]" 1
1260 1 59 GLN H 1 59 GLN HG3 . . 4.230 2.784 1.833 3.586 . 0 0 "[ . 1 . 2]" 1
1261 1 59 GLN H 1 61 GLN H . . 4.600 4.353 4.251 4.524 . 0 0 "[ . 1 . 2]" 1
1262 1 59 GLN HA 1 59 GLN HG2 . . 3.720 3.135 2.408 3.716 . 0 0 "[ . 1 . 2]" 1
1263 1 59 GLN HA 1 59 GLN QG . . 3.210 2.497 2.282 3.165 . 0 0 "[ . 1 . 2]" 1
1264 1 59 GLN HA 1 59 GLN HG3 . . 3.720 2.835 2.373 3.824 0.104 17 0 "[ . 1 . 2]" 1
1265 1 59 GLN HA 1 61 GLN H . . 4.440 3.904 3.606 4.143 . 0 0 "[ . 1 . 2]" 1
1266 1 59 GLN HA 1 62 ILE H . . 4.540 3.827 3.511 4.303 . 0 0 "[ . 1 . 2]" 1
1267 1 59 GLN HA 1 62 ILE HB . . 4.380 3.509 3.136 4.058 . 0 0 "[ . 1 . 2]" 1
1268 1 59 GLN HA 1 62 ILE MD . . 3.720 2.187 2.077 2.422 . 0 0 "[ . 1 . 2]" 1
1269 1 59 GLN HB2 1 59 GLN QE . . 4.340 3.839 3.307 4.361 0.021 11 0 "[ . 1 . 2]" 1
1270 1 59 GLN HB2 1 60 HIS H . . 4.250 2.719 2.390 2.966 . 0 0 "[ . 1 . 2]" 1
1271 1 59 GLN HB3 1 60 HIS H . . 3.960 3.601 3.440 3.749 . 0 0 "[ . 1 . 2]" 1
1272 1 59 GLN QE 1 85 ILE HA . . 4.650 3.693 3.342 4.193 . 0 0 "[ . 1 . 2]" 1
1273 1 59 GLN QE 1 85 ILE MG . . 3.600 2.878 1.726 3.357 . 0 0 "[ . 1 . 2]" 1
1274 1 59 GLN QE 1 86 LYS H . . 3.580 2.440 2.081 3.268 . 0 0 "[ . 1 . 2]" 1
1275 1 59 GLN QE 1 86 LYS HB3 . . 4.970 3.976 3.339 4.912 . 0 0 "[ . 1 . 2]" 1
1276 1 59 GLN HE21 1 85 ILE HA . . 5.310 4.213 3.706 4.616 . 0 0 "[ . 1 . 2]" 1
1277 1 59 GLN HE21 1 85 ILE MG . . 4.160 3.253 2.855 3.745 . 0 0 "[ . 1 . 2]" 1
1278 1 59 GLN HE21 1 86 LYS H . . 4.320 2.852 2.379 3.528 . 0 0 "[ . 1 . 2]" 1
1279 1 59 GLN HE22 1 85 ILE HA . . 5.310 4.241 3.537 5.030 . 0 0 "[ . 1 . 2]" 1
1280 1 59 GLN HE22 1 85 ILE MG . . 4.160 3.393 1.737 4.107 . 0 0 "[ . 1 . 2]" 1
1281 1 59 GLN HE22 1 86 LYS H . . 4.320 2.852 2.150 3.864 . 0 0 "[ . 1 . 2]" 1
1282 1 60 HIS H 1 60 HIS HB2 . . 4.020 3.507 2.645 3.631 . 0 0 "[ . 1 . 2]" 1
1283 1 60 HIS H 1 60 HIS QB . . 3.230 2.362 2.070 2.617 . 0 0 "[ . 1 . 2]" 1
1284 1 60 HIS H 1 60 HIS HB3 . . 4.020 2.406 2.092 2.684 . 0 0 "[ . 1 . 2]" 1
1285 1 60 HIS H 1 60 HIS HD2 . . 4.790 3.660 2.237 4.664 . 0 0 "[ . 1 . 2]" 1
1286 1 60 HIS H 1 61 GLN H . . 3.790 2.817 2.722 2.875 . 0 0 "[ . 1 . 2]" 1
1287 1 60 HIS HD2 1 61 GLN H . . 4.370 3.315 2.780 3.890 . 0 0 "[ . 1 . 2]" 1
1288 1 60 HIS HD2 1 61 GLN HA . . 4.520 3.757 2.795 4.595 0.075 15 0 "[ . 1 . 2]" 1
1289 1 60 HIS HD2 1 61 GLN HE21 . . 5.500 4.900 4.403 5.516 0.016 8 0 "[ . 1 . 2]" 1
1290 1 61 GLN H 1 61 GLN HB2 . . 3.310 2.326 2.158 2.672 . 0 0 "[ . 1 . 2]" 1
1291 1 61 GLN H 1 61 GLN HB3 . . 3.120 2.688 2.619 2.777 . 0 0 "[ . 1 . 2]" 1
1292 1 61 GLN H 1 61 GLN QG . . 4.110 3.925 3.829 4.094 . 0 0 "[ . 1 . 2]" 1
1293 1 61 GLN H 1 62 ILE H . . 3.010 2.437 2.272 2.670 . 0 0 "[ . 1 . 2]" 1
1294 1 61 GLN H 1 62 ILE MD . . 5.100 4.236 3.922 4.639 . 0 0 "[ . 1 . 2]" 1
1295 1 61 GLN HA 1 61 GLN HB2 . . 2.890 2.650 2.602 2.702 . 0 0 "[ . 1 . 2]" 1
1296 1 61 GLN HA 1 61 GLN HE21 . . 5.170 4.633 4.389 4.830 . 0 0 "[ . 1 . 2]" 1
1297 1 61 GLN HA 1 61 GLN QG . . 3.690 2.360 2.294 2.421 . 0 0 "[ . 1 . 2]" 1
1298 1 61 GLN HB2 1 61 GLN HE21 . . 3.360 2.572 2.362 2.753 . 0 0 "[ . 1 . 2]" 1
1299 1 61 GLN HB2 1 61 GLN HE22 . . 3.950 3.869 3.716 3.993 0.043 1 0 "[ . 1 . 2]" 1
1300 1 61 GLN HB2 1 61 GLN QG . . 2.680 2.265 2.209 2.325 . 0 0 "[ . 1 . 2]" 1
1301 1 61 GLN HB3 1 61 GLN HE21 . . 4.760 3.361 2.936 3.523 . 0 0 "[ . 1 . 2]" 1
1302 1 61 GLN HB3 1 62 ILE MG . . 5.500 5.215 5.075 5.490 . 0 0 "[ . 1 . 2]" 1
1303 1 61 GLN QG 1 62 ILE H . . 4.700 4.427 4.226 4.633 . 0 0 "[ . 1 . 2]" 1
1304 1 62 ILE H 1 62 ILE HB . . 3.040 2.465 2.350 2.711 . 0 0 "[ . 1 . 2]" 1
1305 1 62 ILE H 1 62 ILE MD . . 3.980 3.427 3.168 3.876 . 0 0 "[ . 1 . 2]" 1
1306 1 62 ILE H 1 62 ILE HG12 . . 4.010 3.764 3.612 4.026 0.016 7 0 "[ . 1 . 2]" 1
1307 1 62 ILE H 1 62 ILE QG . . 3.440 2.380 2.187 2.742 . 0 0 "[ . 1 . 2]" 1
1308 1 62 ILE H 1 62 ILE HG13 . . 4.010 2.407 2.205 2.790 . 0 0 "[ . 1 . 2]" 1
1309 1 62 ILE H 1 62 ILE MG . . 3.950 3.798 3.737 3.913 . 0 0 "[ . 1 . 2]" 1
1310 1 62 ILE H 1 70 TRP HE1 . . 5.490 5.047 4.692 5.415 . 0 0 "[ . 1 . 2]" 1
1311 1 62 ILE HA 1 62 ILE MD . . 4.430 3.943 3.917 4.003 . 0 0 "[ . 1 . 2]" 1
1312 1 62 ILE HA 1 62 ILE QG . . 3.450 2.521 2.472 2.640 . 0 0 "[ . 1 . 2]" 1
1313 1 62 ILE HA 1 62 ILE MG . . 3.330 2.433 2.362 2.522 . 0 0 "[ . 1 . 2]" 1
1314 1 62 ILE HA 1 63 PRO QD . . 3.040 2.065 2.041 2.093 . 0 0 "[ . 1 . 2]" 1
1315 1 62 ILE HB 1 62 ILE MD . . 3.150 2.315 2.242 2.391 . 0 0 "[ . 1 . 2]" 1
1316 1 62 ILE HB 1 63 PRO HA . . 5.370 5.250 5.103 5.325 . 0 0 "[ . 1 . 2]" 1
1317 1 62 ILE HB 1 70 TRP HE1 . . 3.880 3.456 3.124 3.875 . 0 0 "[ . 1 . 2]" 1
1318 1 62 ILE MD 1 62 ILE MG . . 2.850 2.170 2.101 2.264 . 0 0 "[ . 1 . 2]" 1
1319 1 62 ILE QG 1 62 ILE MG . . 2.960 2.258 2.212 2.302 . 0 0 "[ . 1 . 2]" 1
1320 1 62 ILE HG12 1 62 ILE MG . . 3.450 2.306 2.255 2.356 . 0 0 "[ . 1 . 2]" 1
1321 1 62 ILE HG13 1 62 ILE MG . . 3.450 3.219 3.192 3.240 . 0 0 "[ . 1 . 2]" 1
1322 1 62 ILE MG 1 63 PRO QG . . 4.060 3.619 3.278 3.911 . 0 0 "[ . 1 . 2]" 1
1323 1 62 ILE MG 1 70 TRP HB3 . . 4.630 3.775 3.501 4.089 . 0 0 "[ . 1 . 2]" 1
1324 1 62 ILE MG 1 70 TRP HD1 . . 3.210 2.234 2.096 2.449 . 0 0 "[ . 1 . 2]" 1
1325 1 62 ILE MG 1 70 TRP HE1 . . 3.150 2.720 2.421 3.154 0.004 14 0 "[ . 1 . 2]" 1
1326 1 64 ALA H 1 64 ALA MB . . 2.800 2.236 2.195 2.301 . 0 0 "[ . 1 . 2]" 1
1327 1 64 ALA H 1 65 ALA H . . 4.800 4.620 4.568 4.678 . 0 0 "[ . 1 . 2]" 1
1328 1 64 ALA H 1 70 TRP HD1 . . 5.450 5.324 4.753 5.493 0.043 5 0 "[ . 1 . 2]" 1
1329 1 64 ALA H 1 70 TRP HE1 . . 4.210 3.410 3.019 3.592 . 0 0 "[ . 1 . 2]" 1
1330 1 64 ALA H 1 70 TRP HZ2 . . 4.310 3.727 2.768 4.322 0.012 14 0 "[ . 1 . 2]" 1
1331 1 64 ALA HA 1 65 ALA H . . 2.870 2.258 2.166 2.417 . 0 0 "[ . 1 . 2]" 1
1332 1 64 ALA HA 1 65 ALA MB . . 4.180 4.018 3.901 4.102 . 0 0 "[ . 1 . 2]" 1
1333 1 64 ALA HA 1 70 TRP HA . . 4.660 4.029 3.645 4.269 . 0 0 "[ . 1 . 2]" 1
1334 1 64 ALA HA 1 70 TRP HE1 . . 3.710 2.682 2.381 3.224 . 0 0 "[ . 1 . 2]" 1
1335 1 64 ALA HA 1 70 TRP HZ2 . . 5.450 3.745 3.474 4.087 . 0 0 "[ . 1 . 2]" 1
1336 1 64 ALA MB 1 65 ALA H . . 3.090 2.543 2.254 2.730 . 0 0 "[ . 1 . 2]" 1
1337 1 64 ALA MB 1 65 ALA HA . . 4.620 4.345 4.252 4.426 . 0 0 "[ . 1 . 2]" 1
1338 1 64 ALA MB 1 65 ALA MB . . 4.120 3.863 3.680 3.987 . 0 0 "[ . 1 . 2]" 1
1339 1 64 ALA MB 1 68 GLY H . . 3.830 3.737 3.616 3.865 0.035 14 0 "[ . 1 . 2]" 1
1340 1 64 ALA MB 1 68 GLY HA2 . . 3.920 2.467 2.235 2.584 . 0 0 "[ . 1 . 2]" 1
1341 1 64 ALA MB 1 68 GLY QA . . 3.210 2.439 2.213 2.550 . 0 0 "[ . 1 . 2]" 1
1342 1 64 ALA MB 1 68 GLY HA3 . . 3.920 3.846 3.565 3.967 0.047 5 0 "[ . 1 . 2]" 1
1343 1 64 ALA MB 1 69 TYR H . . 4.330 3.944 3.324 4.232 . 0 0 "[ . 1 . 2]" 1
1344 1 64 ALA MB 1 69 TYR HA . . 5.380 4.397 4.128 4.635 . 0 0 "[ . 1 . 2]" 1
1345 1 64 ALA MB 1 70 TRP H . . 5.180 5.115 4.839 5.211 0.031 14 0 "[ . 1 . 2]" 1
1346 1 64 ALA MB 1 70 TRP HE1 . . 4.030 3.308 2.715 4.006 . 0 0 "[ . 1 . 2]" 1
1347 1 64 ALA MB 1 70 TRP HH2 . . 3.880 3.616 3.007 3.889 0.009 14 0 "[ . 1 . 2]" 1
1348 1 64 ALA MB 1 70 TRP HZ2 . . 3.620 2.349 2.208 2.506 . 0 0 "[ . 1 . 2]" 1
1349 1 65 ALA H 1 65 ALA MB . . 2.820 2.233 2.197 2.267 . 0 0 "[ . 1 . 2]" 1
1350 1 65 ALA H 1 68 GLY QA . . 5.340 3.930 3.692 4.173 . 0 0 "[ . 1 . 2]" 1
1351 1 65 ALA H 1 69 TYR HB2 . . 5.500 4.715 4.393 4.929 . 0 0 "[ . 1 . 2]" 1
1352 1 65 ALA H 1 70 TRP HA . . 4.080 3.707 3.521 3.897 . 0 0 "[ . 1 . 2]" 1
1353 1 65 ALA H 1 70 TRP HZ2 . . 5.500 5.581 5.550 5.621 0.121 17 0 "[ . 1 . 2]" 1
1354 1 65 ALA H 1 71 TYR H . . 5.500 5.326 4.957 5.540 0.040 9 0 "[ . 1 . 2]" 1
1355 1 65 ALA H 1 71 TYR QE . . 5.500 5.067 4.789 5.404 . 0 0 "[ . 1 . 2]" 1
1356 1 65 ALA HA 1 66 SER HA . . 4.430 4.373 4.248 4.456 0.026 15 0 "[ . 1 . 2]" 1
1357 1 65 ALA HA 1 67 ASP H . . 4.830 4.574 4.354 4.784 . 0 0 "[ . 1 . 2]" 1
1358 1 65 ALA HA 1 68 GLY H . . 4.630 4.567 4.356 4.675 0.045 5 0 "[ . 1 . 2]" 1
1359 1 65 ALA MB 1 66 SER H . . 3.690 2.381 2.269 2.596 . 0 0 "[ . 1 . 2]" 1
1360 1 65 ALA MB 1 66 SER HA . . 4.690 4.409 4.370 4.470 . 0 0 "[ . 1 . 2]" 1
1361 1 65 ALA MB 1 66 SER QB . . 4.350 3.861 3.538 4.060 . 0 0 "[ . 1 . 2]" 1
1362 1 65 ALA MB 1 67 ASP H . . 3.220 2.888 2.664 3.169 . 0 0 "[ . 1 . 2]" 1
1363 1 65 ALA MB 1 67 ASP QB . . 4.450 3.683 3.165 4.485 0.035 19 0 "[ . 1 . 2]" 1
1364 1 65 ALA MB 1 68 GLY H . . 3.550 3.038 2.570 3.264 . 0 0 "[ . 1 . 2]" 1
1365 1 65 ALA MB 1 69 TYR H . . 3.280 2.601 2.275 2.833 . 0 0 "[ . 1 . 2]" 1
1366 1 65 ALA MB 1 69 TYR HB2 . . 4.340 3.103 2.850 3.290 . 0 0 "[ . 1 . 2]" 1
1367 1 65 ALA MB 1 69 TYR QD . . 4.430 4.386 3.845 4.484 0.054 19 0 "[ . 1 . 2]" 1
1368 1 65 ALA MB 1 70 TRP HA . . 4.470 3.591 3.211 3.813 . 0 0 "[ . 1 . 2]" 1
1369 1 65 ALA MB 1 71 TYR H . . 4.670 4.119 3.676 4.584 . 0 0 "[ . 1 . 2]" 1
1370 1 65 ALA MB 1 71 TYR QE . . 3.380 2.263 2.076 2.634 . 0 0 "[ . 1 . 2]" 1
1371 1 66 SER H 1 67 ASP H . . 4.510 2.898 2.744 3.019 . 0 0 "[ . 1 . 2]" 1
1372 1 66 SER HA 1 68 GLY H . . 4.580 3.806 3.575 4.032 . 0 0 "[ . 1 . 2]" 1
1373 1 66 SER QB 1 67 ASP H . . 4.370 2.785 2.583 3.211 . 0 0 "[ . 1 . 2]" 1
1374 1 67 ASP H 1 67 ASP HB2 . . 3.800 2.592 2.281 3.754 . 0 0 "[ . 1 . 2]" 1
1375 1 67 ASP H 1 67 ASP QB . . 3.230 2.453 2.256 2.966 . 0 0 "[ . 1 . 2]" 1
1376 1 67 ASP H 1 67 ASP HB3 . . 3.800 3.548 3.089 3.698 . 0 0 "[ . 1 . 2]" 1
1377 1 67 ASP H 1 68 GLY H . . 3.150 2.711 2.368 2.957 . 0 0 "[ . 1 . 2]" 1
1378 1 68 GLY H 1 69 TYR H . . 3.240 2.563 2.327 2.857 . 0 0 "[ . 1 . 2]" 1
1379 1 68 GLY H 1 71 TYR QE . . 5.500 5.545 5.507 5.601 0.101 10 0 "[ . 1 . 2]" 1
1380 1 69 TYR H 1 69 TYR HB2 . . 3.130 2.293 2.153 2.589 . 0 0 "[ . 1 . 2]" 1
1381 1 69 TYR H 1 70 TRP H . . 4.500 4.566 4.498 4.608 0.108 12 0 "[ . 1 . 2]" 1
1382 1 69 TYR H 1 71 TYR QE . . 4.330 4.288 4.040 4.371 0.041 5 0 "[ . 1 . 2]" 1
1383 1 69 TYR HA 1 70 TRP H . . 3.160 2.284 2.156 2.386 . 0 0 "[ . 1 . 2]" 1
1384 1 69 TYR HA 1 70 TRP HE3 . . 3.780 3.532 3.287 3.793 0.013 7 0 "[ . 1 . 2]" 1
1385 1 69 TYR HA 1 70 TRP HZ3 . . 4.640 4.227 3.972 4.611 . 0 0 "[ . 1 . 2]" 1
1386 1 69 TYR HA 1 71 TYR QE . . 4.860 4.898 4.869 4.950 0.090 9 0 "[ . 1 . 2]" 1
1387 1 69 TYR HB2 1 70 TRP H . . 4.270 3.870 3.698 4.000 . 0 0 "[ . 1 . 2]" 1
1388 1 69 TYR HB2 1 71 TYR QE . . 3.380 2.387 2.104 2.956 . 0 0 "[ . 1 . 2]" 1
1389 1 69 TYR HB3 1 70 TRP H . . 3.300 2.558 2.405 2.728 . 0 0 "[ . 1 . 2]" 1
1390 1 69 TYR HB3 1 71 TYR QE . . 3.280 2.675 2.539 2.887 . 0 0 "[ . 1 . 2]" 1
1391 1 70 TRP H 1 70 TRP HB2 . . 3.370 2.631 2.532 2.708 . 0 0 "[ . 1 . 2]" 1
1392 1 70 TRP H 1 70 TRP HB3 . . 3.850 3.774 3.713 3.821 . 0 0 "[ . 1 . 2]" 1
1393 1 70 TRP H 1 70 TRP HD1 . . 4.980 5.029 4.992 5.056 0.076 10 0 "[ . 1 . 2]" 1
1394 1 70 TRP H 1 70 TRP HE3 . . 3.270 2.579 2.488 2.724 . 0 0 "[ . 1 . 2]" 1
1395 1 70 TRP H 1 72 ILE MD . . 5.070 4.623 4.399 4.908 . 0 0 "[ . 1 . 2]" 1
1396 1 70 TRP HA 1 71 TYR H . . 2.750 2.198 2.117 2.280 . 0 0 "[ . 1 . 2]" 1
1397 1 70 TRP HA 1 71 TYR HB2 . . 5.040 4.750 4.205 5.043 0.003 4 0 "[ . 1 . 2]" 1
1398 1 70 TRP HA 1 72 ILE MD . . 5.300 4.719 4.566 4.844 . 0 0 "[ . 1 . 2]" 1
1399 1 70 TRP HB3 1 71 TYR H . . 3.900 3.157 2.872 3.479 . 0 0 "[ . 1 . 2]" 1
1400 1 71 TYR H 1 71 TYR HB2 . . 3.200 2.730 2.425 2.949 . 0 0 "[ . 1 . 2]" 1
1401 1 71 TYR H 1 71 TYR HB3 . . 3.760 3.728 3.629 3.780 0.020 4 0 "[ . 1 . 2]" 1
1402 1 71 TYR H 1 71 TYR QD . . 4.730 3.392 3.256 3.566 . 0 0 "[ . 1 . 2]" 1
1403 1 71 TYR H 1 72 ILE H . . 4.790 4.415 4.246 4.532 . 0 0 "[ . 1 . 2]" 1
1404 1 71 TYR H 1 72 ILE HG13 . . 5.210 4.105 3.875 4.332 . 0 0 "[ . 1 . 2]" 1
1405 1 71 TYR HA 1 72 ILE H . . 2.910 2.231 2.166 2.290 . 0 0 "[ . 1 . 2]" 1
1406 1 71 TYR HA 1 72 ILE MD . . 4.200 2.670 2.476 2.945 . 0 0 "[ . 1 . 2]" 1
1407 1 71 TYR HA 1 72 ILE HG13 . . 4.500 4.060 3.909 4.163 . 0 0 "[ . 1 . 2]" 1
1408 1 71 TYR HB2 1 72 ILE H . . 4.850 4.009 3.770 4.482 . 0 0 "[ . 1 . 2]" 1
1409 1 71 TYR HB3 1 72 ILE H . . 4.160 3.335 3.064 3.850 . 0 0 "[ . 1 . 2]" 1
1410 1 72 ILE H 1 72 ILE HB . . 3.180 2.960 2.838 3.104 . 0 0 "[ . 1 . 2]" 1
1411 1 72 ILE H 1 72 ILE MD . . 3.670 2.243 1.961 2.370 . 0 0 "[ . 1 . 2]" 1
1412 1 72 ILE H 1 72 ILE HG13 . . 3.480 3.373 3.069 3.483 0.003 20 0 "[ . 1 . 2]" 1
1413 1 72 ILE H 1 72 ILE MG . . 4.120 3.969 3.918 4.022 . 0 0 "[ . 1 . 2]" 1
1414 1 72 ILE HA 1 72 ILE HG12 . . 4.180 3.766 3.659 3.860 . 0 0 "[ . 1 . 2]" 1
1415 1 72 ILE HA 1 72 ILE HG13 . . 3.870 2.807 2.695 2.910 . 0 0 "[ . 1 . 2]" 1
1416 1 72 ILE HA 1 72 ILE MG . . 3.160 2.183 2.137 2.228 . 0 0 "[ . 1 . 2]" 1
1417 1 72 ILE HA 1 73 HIS H . . 2.760 2.097 2.056 2.159 . 0 0 "[ . 1 . 2]" 1
1418 1 72 ILE HB 1 72 ILE MD . . 3.250 2.266 2.242 2.293 . 0 0 "[ . 1 . 2]" 1
1419 1 72 ILE HB 1 73 HIS H . . 4.330 4.078 3.955 4.228 . 0 0 "[ . 1 . 2]" 1
1420 1 72 ILE HG12 1 85 ILE HG13 . . 5.500 5.416 5.225 5.548 0.048 11 0 "[ . 1 . 2]" 1
1421 1 72 ILE HG13 1 72 ILE MG . . 3.550 2.654 2.575 2.757 . 0 0 "[ . 1 . 2]" 1
1422 1 72 ILE HG13 1 73 HIS H . . 4.920 4.835 4.678 4.944 0.024 11 0 "[ . 1 . 2]" 1
1423 1 72 ILE HG13 1 85 ILE MG . . 5.190 5.196 5.144 5.228 0.038 2 0 "[ . 1 . 2]" 1
1424 1 72 ILE MG 1 73 HIS H . . 3.170 2.705 2.467 2.899 . 0 0 "[ . 1 . 2]" 1
1425 1 72 ILE MG 1 73 HIS HA . . 4.390 4.144 3.951 4.309 . 0 0 "[ . 1 . 2]" 1
1426 1 72 ILE MG 1 74 TYR QD . . 3.910 3.674 3.502 3.848 . 0 0 "[ . 1 . 2]" 1
1427 1 72 ILE MG 1 85 ILE HG13 . . 4.460 4.500 4.475 4.519 0.059 2 0 "[ . 1 . 2]" 1
1428 1 72 ILE MG 1 85 ILE MG . . 4.550 4.314 4.150 4.536 . 0 0 "[ . 1 . 2]" 1
1429 1 73 HIS H 1 73 HIS HB2 . . 3.670 2.933 2.404 3.374 . 0 0 "[ . 1 . 2]" 1
1430 1 73 HIS H 1 73 HIS QB . . 3.160 2.559 2.209 3.121 . 0 0 "[ . 1 . 2]" 1
1431 1 73 HIS H 1 73 HIS HB3 . . 3.670 2.884 2.402 3.716 0.046 13 0 "[ . 1 . 2]" 1
1432 1 73 HIS H 1 74 TYR H . . 4.560 4.538 4.415 4.594 0.034 1 0 "[ . 1 . 2]" 1
1433 1 73 HIS H 1 74 TYR QD . . 4.830 4.612 4.484 4.786 . 0 0 "[ . 1 . 2]" 1
1434 1 73 HIS HA 1 74 TYR H . . 2.910 2.191 2.143 2.229 . 0 0 "[ . 1 . 2]" 1
1435 1 73 HIS HA 1 74 TYR HA . . 4.390 4.470 4.435 4.506 0.116 9 0 "[ . 1 . 2]" 1
1436 1 73 HIS HA 1 74 TYR HB2 . . 4.720 4.539 4.390 4.712 . 0 0 "[ . 1 . 2]" 1
1437 1 73 HIS QB 1 74 TYR H . . 3.930 3.419 2.980 3.698 . 0 0 "[ . 1 . 2]" 1
1438 1 73 HIS QB 1 74 TYR QD . . 5.340 4.640 4.402 4.818 . 0 0 "[ . 1 . 2]" 1
1439 1 73 HIS HB2 1 74 TYR H . . 4.550 3.915 3.323 4.326 . 0 0 "[ . 1 . 2]" 1
1440 1 73 HIS HB3 1 74 TYR H . . 4.550 3.782 3.280 4.077 . 0 0 "[ . 1 . 2]" 1
1441 1 74 TYR H 1 74 TYR HB2 . . 3.180 2.746 2.667 2.814 . 0 0 "[ . 1 . 2]" 1
1442 1 74 TYR H 1 74 TYR HB3 . . 3.820 3.818 3.766 3.844 0.024 18 0 "[ . 1 . 2]" 1
1443 1 74 TYR H 1 74 TYR QD . . 4.300 2.528 2.407 2.628 . 0 0 "[ . 1 . 2]" 1
1444 1 74 TYR HA 1 75 LYS H . . 3.030 2.340 2.301 2.408 . 0 0 "[ . 1 . 2]" 1
1445 1 74 TYR HB2 1 75 LYS H . . 4.450 3.882 3.681 4.008 . 0 0 "[ . 1 . 2]" 1
1446 1 74 TYR HB3 1 75 LYS H . . 4.290 2.914 2.650 3.061 . 0 0 "[ . 1 . 2]" 1
1447 1 74 TYR HB3 1 75 LYS HB2 . . 5.500 5.442 5.235 5.534 0.034 3 0 "[ . 1 . 2]" 1
1448 1 75 LYS H 1 75 LYS HB2 . . 3.450 2.885 2.635 2.970 . 0 0 "[ . 1 . 2]" 1
1449 1 75 LYS H 1 75 LYS HB3 . . 3.260 2.869 2.706 3.205 . 0 0 "[ . 1 . 2]" 1
1450 1 75 LYS H 1 75 LYS QD . . 5.340 4.718 4.601 4.884 . 0 0 "[ . 1 . 2]" 1
1451 1 75 LYS HA 1 75 LYS QG . . 3.720 2.312 2.227 2.428 . 0 0 "[ . 1 . 2]" 1
1452 1 75 LYS HA 1 76 SER H . . 2.730 2.129 2.065 2.205 . 0 0 "[ . 1 . 2]" 1
1453 1 75 LYS HB2 1 75 LYS QD . . 3.380 2.345 2.237 2.570 . 0 0 "[ . 1 . 2]" 1
1454 1 75 LYS HB2 1 75 LYS QE . . 4.310 4.075 3.918 4.235 . 0 0 "[ . 1 . 2]" 1
1455 1 75 LYS HB2 1 76 SER H . . 4.350 4.117 3.974 4.237 . 0 0 "[ . 1 . 2]" 1
1456 1 75 LYS HB3 1 76 SER H . . 4.520 3.740 3.508 3.893 . 0 0 "[ . 1 . 2]" 1
1457 1 75 LYS QE 1 75 LYS QG . . 3.100 2.305 2.085 2.504 . 0 0 "[ . 1 . 2]" 1
1458 1 75 LYS QG 1 76 SER H . . 3.390 2.364 2.105 2.578 . 0 0 "[ . 1 . 2]" 1
1459 1 76 SER H 1 77 GLY H . . 4.740 4.632 4.534 4.675 . 0 0 "[ . 1 . 2]" 1
1460 1 77 GLY H 1 78 VAL H . . 3.130 2.034 1.872 2.209 . 0 0 "[ . 1 . 2]" 1
1461 1 77 GLY H 1 78 VAL MG1 . . 4.660 4.648 4.413 4.699 0.039 4 0 "[ . 1 . 2]" 1
1462 1 77 GLY H 1 78 VAL MG2 . . 4.140 3.905 3.675 4.107 . 0 0 "[ . 1 . 2]" 1
1463 1 77 GLY QA 1 78 VAL MG1 . . 4.030 3.295 3.129 3.524 . 0 0 "[ . 1 . 2]" 1
1464 1 78 VAL H 1 78 VAL MG1 . . 3.500 3.277 2.932 3.441 . 0 0 "[ . 1 . 2]" 1
1465 1 78 VAL H 1 78 VAL MG2 . . 2.940 2.375 2.204 2.568 . 0 0 "[ . 1 . 2]" 1
1466 1 78 VAL H 1 81 GLY H . . 4.210 4.130 3.731 4.258 0.048 1 0 "[ . 1 . 2]" 1
1467 1 78 VAL H 1 81 GLY HA3 . . 4.290 4.088 3.598 4.316 0.026 18 0 "[ . 1 . 2]" 1
1468 1 78 VAL HA 1 78 VAL MG1 . . 3.060 2.293 2.226 2.395 . 0 0 "[ . 1 . 2]" 1
1469 1 78 VAL HA 1 80 TRP H . . 4.330 4.069 3.917 4.248 . 0 0 "[ . 1 . 2]" 1
1470 1 78 VAL HA 1 80 TRP HH2 . . 5.500 5.320 4.858 5.537 0.037 13 0 "[ . 1 . 2]" 1
1471 1 78 VAL HA 1 80 TRP HZ3 . . 4.700 4.165 3.582 4.704 0.004 17 0 "[ . 1 . 2]" 1
1472 1 78 VAL HB 1 79 SER H . . 4.430 2.969 2.791 3.147 . 0 0 "[ . 1 . 2]" 1
1473 1 78 VAL HB 1 80 TRP H . . 3.240 2.690 2.420 2.965 . 0 0 "[ . 1 . 2]" 1
1474 1 78 VAL HB 1 80 TRP HE3 . . 4.710 2.645 2.220 3.538 . 0 0 "[ . 1 . 2]" 1
1475 1 78 VAL HB 1 80 TRP HH2 . . 5.500 4.647 3.728 5.485 . 0 0 "[ . 1 . 2]" 1
1476 1 78 VAL MG1 1 79 SER H . . 4.650 3.720 3.513 3.926 . 0 0 "[ . 1 . 2]" 1
1477 1 78 VAL MG1 1 80 TRP H . . 4.330 4.290 4.058 4.402 0.072 15 0 "[ . 1 . 2]" 1
1478 1 78 VAL MG1 1 80 TRP HE3 . . 4.280 3.728 3.134 4.327 0.047 17 0 "[ . 1 . 2]" 1
1479 1 78 VAL MG1 1 80 TRP HH2 . . 4.950 4.032 2.615 4.964 0.014 15 0 "[ . 1 . 2]" 1
1480 1 78 VAL MG1 1 81 GLY HA3 . . 5.110 5.075 4.903 5.159 0.049 10 0 "[ . 1 . 2]" 1
1481 1 78 VAL MG2 1 80 TRP H . . 3.240 3.007 2.337 3.260 0.020 17 0 "[ . 1 . 2]" 1
1482 1 78 VAL MG2 1 80 TRP HA . . 4.900 4.851 4.461 4.933 0.033 18 0 "[ . 1 . 2]" 1
1483 1 78 VAL MG2 1 81 GLY H . . 3.240 2.190 2.013 2.367 . 0 0 "[ . 1 . 2]" 1
1484 1 78 VAL MG2 1 81 GLY HA2 . . 4.550 2.568 2.276 2.714 . 0 0 "[ . 1 . 2]" 1
1485 1 78 VAL MG2 1 81 GLY HA3 . . 4.140 2.383 2.180 2.739 . 0 0 "[ . 1 . 2]" 1
1486 1 78 VAL MG2 1 82 HIS H . . 4.610 4.391 4.078 4.564 . 0 0 "[ . 1 . 2]" 1
1487 1 79 SER H 1 80 TRP H . . 4.460 2.942 2.809 3.029 . 0 0 "[ . 1 . 2]" 1
1488 1 79 SER H 1 81 GLY H . . 5.470 4.429 4.282 4.547 . 0 0 "[ . 1 . 2]" 1
1489 1 79 SER HA 1 81 GLY H . . 4.560 3.993 3.789 4.258 . 0 0 "[ . 1 . 2]" 1
1490 1 79 SER QB 1 80 TRP H . . 4.070 3.330 2.984 3.779 . 0 0 "[ . 1 . 2]" 1
1491 1 79 SER QB 1 80 TRP HE3 . . 4.830 4.225 3.599 4.902 0.072 1 0 "[ . 1 . 2]" 1
1492 1 80 TRP H 1 80 TRP HB2 . . 3.810 3.102 2.649 3.744 . 0 0 "[ . 1 . 2]" 1
1493 1 80 TRP H 1 80 TRP QB . . 3.340 2.716 2.595 2.811 . 0 0 "[ . 1 . 2]" 1
1494 1 80 TRP H 1 80 TRP HB3 . . 3.810 3.426 2.721 3.815 0.005 1 0 "[ . 1 . 2]" 1
1495 1 80 TRP H 1 80 TRP HE3 . . 3.610 2.599 2.238 2.780 . 0 0 "[ . 1 . 2]" 1
1496 1 80 TRP H 1 81 GLY H . . 3.350 2.324 2.141 2.525 . 0 0 "[ . 1 . 2]" 1
1497 1 80 TRP H 1 81 GLY HA3 . . 5.020 4.485 4.275 4.669 . 0 0 "[ . 1 . 2]" 1
1498 1 80 TRP HA 1 80 TRP HE3 . . 4.770 4.675 4.308 4.812 0.042 7 0 "[ . 1 . 2]" 1
1499 1 80 TRP QB 1 81 GLY HA2 . . 4.560 4.254 3.941 4.576 0.016 9 0 "[ . 1 . 2]" 1
1500 1 80 TRP HE3 1 81 GLY H . . 5.500 4.471 4.129 4.995 . 0 0 "[ . 1 . 2]" 1
1501 1 81 GLY H 1 82 HIS H . . 4.460 4.385 4.224 4.510 0.050 19 0 "[ . 1 . 2]" 1
1502 1 81 GLY HA2 1 82 HIS H . . 2.920 2.212 2.100 2.341 . 0 0 "[ . 1 . 2]" 1
1503 1 81 GLY HA3 1 82 HIS H . . 3.530 3.406 3.157 3.538 0.008 7 0 "[ . 1 . 2]" 1
1504 1 82 HIS H 1 82 HIS HB2 . . 3.730 2.686 2.219 3.762 0.032 2 0 "[ . 1 . 2]" 1
1505 1 82 HIS H 1 82 HIS QB . . 3.120 2.337 2.121 2.790 . 0 0 "[ . 1 . 2]" 1
1506 1 82 HIS H 1 82 HIS HB3 . . 3.730 3.028 2.219 3.566 . 0 0 "[ . 1 . 2]" 1
1507 1 82 HIS HA 1 83 VAL H . . 2.790 2.303 2.177 2.413 . 0 0 "[ . 1 . 2]" 1
1508 1 82 HIS HA 1 83 VAL HB . . 4.740 4.422 4.040 4.612 . 0 0 "[ . 1 . 2]" 1
1509 1 82 HIS HA 1 83 VAL MG1 . . 4.590 4.251 3.969 4.469 . 0 0 "[ . 1 . 2]" 1
1510 1 82 HIS QB 1 83 VAL H . . 4.440 3.028 2.427 3.698 . 0 0 "[ . 1 . 2]" 1
1511 1 83 VAL H 1 83 VAL HB . . 3.740 3.142 2.947 3.278 . 0 0 "[ . 1 . 2]" 1
1512 1 83 VAL H 1 83 VAL MG1 . . 2.900 2.636 2.384 2.802 . 0 0 "[ . 1 . 2]" 1
1513 1 83 VAL H 1 83 VAL MG2 . . 4.000 4.049 3.984 4.082 0.082 1 0 "[ . 1 . 2]" 1
1514 1 83 VAL H 1 84 GLU H . . 4.500 4.445 4.344 4.547 0.047 7 0 "[ . 1 . 2]" 1
1515 1 83 VAL HA 1 85 ILE MD . . 5.230 5.076 4.855 5.234 0.004 19 0 "[ . 1 . 2]" 1
1516 1 83 VAL HB 1 84 GLU H . . 3.950 3.991 3.939 4.032 0.082 18 0 "[ . 1 . 2]" 1
1517 1 83 VAL MG1 1 84 GLU H . . 4.860 3.150 2.993 3.316 . 0 0 "[ . 1 . 2]" 1
1518 1 83 VAL MG1 1 84 GLU HA . . 4.610 3.247 2.912 3.566 . 0 0 "[ . 1 . 2]" 1
1519 1 83 VAL MG1 1 84 GLU QB . . 4.840 4.396 4.219 4.599 . 0 0 "[ . 1 . 2]" 1
1520 1 83 VAL MG1 1 85 ILE MD . . 5.290 2.263 2.077 2.455 . 0 0 "[ . 1 . 2]" 1
1521 1 83 VAL MG2 1 84 GLU H . . 2.840 1.987 1.914 2.075 . 0 0 "[ . 1 . 2]" 1
1522 1 83 VAL MG2 1 84 GLU HA . . 4.440 3.859 3.641 3.992 . 0 0 "[ . 1 . 2]" 1
1523 1 83 VAL MG2 1 84 GLU QB . . 5.030 4.471 4.145 4.586 . 0 0 "[ . 1 . 2]" 1
1524 1 83 VAL MG2 1 85 ILE H . . 4.610 4.593 4.452 4.663 0.053 18 0 "[ . 1 . 2]" 1
1525 1 83 VAL MG2 1 85 ILE HB . . 5.500 5.474 5.349 5.538 0.038 4 0 "[ . 1 . 2]" 1
1526 1 83 VAL MG2 1 85 ILE HG13 . . 3.340 3.324 3.229 3.382 0.042 19 0 "[ . 1 . 2]" 1
1527 1 83 VAL MG2 1 85 ILE MG . . 5.500 5.176 5.096 5.271 . 0 0 "[ . 1 . 2]" 1
1528 1 84 GLU H 1 85 ILE HA . . 4.890 4.920 4.870 4.950 0.060 6 0 "[ . 1 . 2]" 1
1529 1 84 GLU H 1 85 ILE HG13 . . 4.680 4.220 4.041 4.445 . 0 0 "[ . 1 . 2]" 1
1530 1 84 GLU HA 1 85 ILE H . . 3.000 2.070 2.031 2.123 . 0 0 "[ . 1 . 2]" 1
1531 1 84 GLU HA 1 85 ILE HG13 . . 4.460 4.348 4.185 4.484 0.024 11 0 "[ . 1 . 2]" 1
1532 1 84 GLU QB 1 85 ILE H . . 4.090 3.113 2.655 3.717 . 0 0 "[ . 1 . 2]" 1
1533 1 84 GLU QB 1 85 ILE MD . . 4.860 4.412 4.168 4.617 . 0 0 "[ . 1 . 2]" 1
1534 1 85 ILE H 1 85 ILE HB . . 3.770 2.710 2.563 2.822 . 0 0 "[ . 1 . 2]" 1
1535 1 85 ILE H 1 85 ILE MD . . 4.240 2.366 2.245 2.516 . 0 0 "[ . 1 . 2]" 1
1536 1 85 ILE H 1 85 ILE HG12 . . 4.540 4.371 4.229 4.475 . 0 0 "[ . 1 . 2]" 1
1537 1 85 ILE H 1 85 ILE HG13 . . 4.070 3.446 3.305 3.553 . 0 0 "[ . 1 . 2]" 1
1538 1 85 ILE H 1 85 ILE MG . . 4.300 3.911 3.858 3.948 . 0 0 "[ . 1 . 2]" 1
1539 1 85 ILE H 1 86 LYS H . . 4.340 4.158 3.973 4.345 0.005 9 0 "[ . 1 . 2]" 1
1540 1 85 ILE H 1 86 LYS HA . . 4.880 4.398 4.167 4.690 . 0 0 "[ . 1 . 2]" 1
1541 1 85 ILE HA 1 85 ILE MD . . 4.250 3.638 3.556 3.677 . 0 0 "[ . 1 . 2]" 1
1542 1 85 ILE HA 1 85 ILE HG12 . . 3.580 3.613 3.564 3.631 0.051 15 0 "[ . 1 . 2]" 1
1543 1 85 ILE HA 1 85 ILE HG13 . . 3.850 2.632 2.504 2.689 . 0 0 "[ . 1 . 2]" 1
1544 1 85 ILE HA 1 85 ILE MG . . 3.120 2.401 2.315 2.539 . 0 0 "[ . 1 . 2]" 1
1545 1 85 ILE HA 1 86 LYS H . . 2.780 2.261 2.205 2.298 . 0 0 "[ . 1 . 2]" 1
1546 1 85 ILE HA 1 86 LYS HA . . 5.150 4.380 4.317 4.492 . 0 0 "[ . 1 . 2]" 1
1547 1 85 ILE HA 1 86 LYS HG2 . . 4.590 3.898 3.495 4.305 . 0 0 "[ . 1 . 2]" 1
1548 1 85 ILE HB 1 85 ILE MD . . 3.270 2.257 2.224 2.291 . 0 0 "[ . 1 . 2]" 1
1549 1 85 ILE HB 1 86 LYS H . . 4.580 4.417 4.330 4.483 . 0 0 "[ . 1 . 2]" 1
1550 1 85 ILE HG12 1 85 ILE MG . . 3.110 2.165 2.143 2.198 . 0 0 "[ . 1 . 2]" 1
1551 1 85 ILE HG13 1 85 ILE MG . . 3.520 2.772 2.710 2.838 . 0 0 "[ . 1 . 2]" 1
1552 1 85 ILE MG 1 86 LYS H . . 3.320 3.232 2.964 3.347 0.027 17 0 "[ . 1 . 2]" 1
1553 1 86 LYS H 1 86 LYS HB2 . . 3.180 2.572 2.335 2.715 . 0 0 "[ . 1 . 2]" 1
1554 1 86 LYS H 1 86 LYS HB3 . . 3.730 3.662 3.538 3.740 0.010 11 0 "[ . 1 . 2]" 1
1555 1 86 LYS H 1 86 LYS QD . . 3.890 3.398 3.085 3.915 0.025 18 0 "[ . 1 . 2]" 1
1556 1 86 LYS H 1 86 LYS QE . . 5.340 4.598 4.347 4.936 . 0 0 "[ . 1 . 2]" 1
1557 1 86 LYS H 1 86 LYS HG2 . . 3.180 2.426 2.233 2.633 . 0 0 "[ . 1 . 2]" 1
1558 1 86 LYS HA 1 86 LYS QD . . 3.090 2.299 2.102 2.458 . 0 0 "[ . 1 . 2]" 1
1559 1 86 LYS HA 1 86 LYS QE . . 4.320 2.747 2.215 4.053 . 0 0 "[ . 1 . 2]" 1
1560 1 86 LYS HA 1 86 LYS HG2 . . 3.910 3.224 2.847 3.444 . 0 0 "[ . 1 . 2]" 1
1561 1 86 LYS HB3 1 86 LYS QD . . 3.490 3.058 2.464 3.282 . 0 0 "[ . 1 . 2]" 1
1562 1 86 LYS HB3 1 86 LYS HE2 . . 4.060 2.957 2.144 4.103 0.043 13 0 "[ . 1 . 2]" 1
1563 1 86 LYS HB3 1 86 LYS QE . . 3.480 2.350 2.101 3.507 0.027 13 0 "[ . 1 . 2]" 1
1564 1 86 LYS HB3 1 86 LYS HE3 . . 4.060 2.617 2.133 3.899 . 0 0 "[ . 1 . 2]" 1
1565 1 86 LYS QE 1 86 LYS HG3 . . 3.530 2.453 2.120 3.060 . 0 0 "[ . 1 . 2]" 1
1566 1 86 LYS HE2 1 86 LYS HG2 . . 4.020 3.647 2.788 3.791 . 0 0 "[ . 1 . 2]" 1
1567 1 86 LYS HE2 1 86 LYS HG3 . . 4.020 2.543 2.190 3.212 . 0 0 "[ . 1 . 2]" 1
1568 1 86 LYS HE3 1 86 LYS HG2 . . 4.020 3.861 3.724 4.164 0.144 10 0 "[ . 1 . 2]" 1
1569 1 86 LYS HE3 1 86 LYS HG3 . . 4.020 3.243 2.826 3.852 . 0 0 "[ . 1 . 2]" 1
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